NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23028 | 2jst | 15384 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 -13.356 18.082 -1.062 2 H1 MET 1 1H MET 1 -11.708 18.050 0.596 3 HB2 MET 1 1HB MET 1 -15.043 17.572 0.777 4 HB3 MET 1 2HB MET 1 -15.238 19.323 0.940 5 HG2 MET 1 1HG MET 1 -15.477 18.677 -1.819 6 HG3 MET 1 2HG MET 1 -16.489 17.563 -0.896 7 HE1 MET 1 3HE MET 1 -16.561 20.004 -2.956 8 HE2 MET 1 1HE MET 1 -18.315 20.107 -2.793 9 HE3 MET 1 2HE MET 1 -17.307 21.491 -2.369 10 H LYS 2 H LYS 2 -11.427 20.113 -0.043 11 HA LYS 2 HA LYS 2 -12.584 22.689 -0.469 12 HB2 LYS 2 1HB LYS 2 -10.637 22.523 0.923 13 HB3 LYS 2 2HB LYS 2 -9.719 21.738 -0.372 14 HG2 LYS 2 1HG LYS 2 -9.033 24.054 -0.113 15 HG3 LYS 2 2HG LYS 2 -9.801 23.792 -1.689 16 HD2 LYS 2 1HD LYS 2 -11.686 24.997 -1.140 17 HD3 LYS 2 2HD LYS 2 -11.491 24.696 0.596 18 HE2 LYS 2 1HE LYS 2 -9.813 26.326 0.822 19 HE3 LYS 2 2HE LYS 2 -9.522 26.374 -0.924 20 HZ1 LYS 2 3HZ LYS 2 -12.212 27.051 -0.383 21 HZ2 LYS 2 1HZ LYS 2 -11.013 27.980 -1.134 22 HZ3 LYS 2 2HZ LYS 2 -11.188 28.024 0.547 23 H LYS 3 H LYS 3 -9.907 21.256 -2.317 24 HA LYS 3 HA LYS 3 -11.152 21.230 -4.817 25 HB2 LYS 3 1HB LYS 3 -10.280 23.854 -3.917 26 HB3 LYS 3 2HB LYS 3 -9.476 23.374 -5.420 27 HG2 LYS 3 1HG LYS 3 -11.975 22.713 -6.083 28 HG3 LYS 3 2HG LYS 3 -12.322 23.991 -4.906 29 HD2 LYS 3 1HD LYS 3 -11.027 25.591 -6.131 30 HD3 LYS 3 2HD LYS 3 -10.412 24.329 -7.214 31 HE2 LYS 3 1HE LYS 3 -13.278 24.261 -7.243 32 HE3 LYS 3 2HE LYS 3 -12.730 25.920 -7.519 33 HZ1 LYS 3 3HZ LYS 3 -11.626 25.337 -9.436 34 HZ2 LYS 3 1HZ LYS 3 -12.973 24.316 -9.509 35 HZ3 LYS 3 2HZ LYS 3 -11.477 23.709 -9.004 36 H LEU 4 H LEU 4 -8.164 21.797 -3.040 37 HA LEU 4 HA LEU 4 -6.740 20.160 -5.034 38 HG LEU 4 HG LEU 4 -4.713 23.226 -5.419 39 HB2 LEU 4 1HB LEU 4 -5.871 22.504 -3.380 40 HB3 LEU 4 2HB LEU 4 -4.684 21.313 -3.941 41 HD11 LEU 4 1HD1 LEU 4 -4.923 22.094 -7.493 42 HD12 LEU 4 2HD1 LEU 4 -6.073 20.937 -6.822 43 HD13 LEU 4 3HD1 LEU 4 -4.385 20.901 -6.311 44 HD21 LEU 4 3HD2 LEU 4 -7.377 23.389 -4.874 45 HD22 LEU 4 1HD2 LEU 4 -7.385 22.731 -6.511 46 HD23 LEU 4 2HD2 LEU 4 -6.556 24.251 -6.177 47 H ARG 5 H ARG 5 -7.522 20.632 -1.688 48 HA ARG 5 HA ARG 5 -5.599 18.819 -0.619 49 HE ARG 5 HE ARG 5 -5.410 21.759 3.489 50 HB2 ARG 5 1HB ARG 5 -8.236 19.564 0.647 51 HB3 ARG 5 2HB ARG 5 -6.742 19.065 1.453 52 HG2 ARG 5 1HG ARG 5 -5.669 21.164 0.582 53 HG3 ARG 5 2HG ARG 5 -7.282 21.669 0.052 54 HD2 ARG 5 1HD ARG 5 -7.851 22.320 2.111 55 HD3 ARG 5 2HD ARG 5 -7.342 20.767 2.790 56 HH11 ARG 5 1HH1 ARG 5 -6.830 23.718 0.987 57 HH12 ARG 5 2HH1 ARG 5 -5.684 25.005 1.163 58 HH21 ARG 5 1HH2 ARG 5 -3.895 23.446 3.731 59 HH22 ARG 5 2HH2 ARG 5 -4.014 24.850 2.724 60 H GLU 6 H GLU 6 -9.035 18.546 -1.465 61 HA GLU 6 HA GLU 6 -9.514 15.964 -0.588 62 HE2 GLU 6 HE2 GLU 6 -14.752 15.152 -2.771 63 HB2 GLU 6 1HB GLU 6 -10.958 17.855 -1.923 64 HB3 GLU 6 2HB GLU 6 -10.742 16.627 -3.180 65 HG2 GLU 6 1HG GLU 6 -11.548 14.956 -1.383 66 HG3 GLU 6 2HG GLU 6 -12.147 16.397 -0.551 67 H GLU 7 H GLU 7 -7.733 17.069 -3.360 68 HA GLU 7 HA GLU 7 -7.758 14.817 -4.981 69 HE2 GLU 7 HE2 GLU 7 -7.116 16.124 -8.963 70 HB2 GLU 7 1HB GLU 7 -5.462 16.725 -4.469 71 HB3 GLU 7 2HB GLU 7 -5.582 15.607 -5.837 72 HG2 GLU 7 1HG GLU 7 -7.718 17.652 -5.337 73 HG3 GLU 7 2HG GLU 7 -6.222 18.074 -6.184 74 H ALA 8 H ALA 8 -6.062 15.407 -1.994 75 HA ALA 8 HA ALA 8 -4.239 13.217 -2.236 76 HB1 ALA 8 3HB ALA 8 -4.308 13.684 0.421 77 HB2 ALA 8 1HB ALA 8 -3.347 14.624 -0.721 78 HB3 ALA 8 2HB ALA 8 -4.920 15.221 -0.190 79 H ALA 9 H ALA 9 -7.503 13.602 -1.116 80 HA ALA 9 HA ALA 9 -7.695 11.311 0.515 81 HB1 ALA 9 3HB ALA 9 -9.754 12.072 0.850 82 HB2 ALA 9 1HB ALA 9 -9.401 13.364 -0.298 83 HB3 ALA 9 2HB ALA 9 -10.166 11.874 -0.853 84 H LYS 10 H LYS 10 -8.199 11.807 -2.949 85 HA LYS 10 HA LYS 10 -9.187 9.221 -3.513 86 HB2 LYS 10 1HB LYS 10 -7.622 10.942 -5.436 87 HB3 LYS 10 2HB LYS 10 -8.891 9.762 -5.808 88 HG2 LYS 10 1HG LYS 10 -10.399 11.343 -4.373 89 HG3 LYS 10 2HG LYS 10 -9.141 12.535 -4.744 90 HD2 LYS 10 1HD LYS 10 -10.506 10.879 -6.867 91 HD3 LYS 10 2HD LYS 10 -11.103 12.462 -6.338 92 HE2 LYS 10 1HE LYS 10 -9.673 13.481 -7.707 93 HE3 LYS 10 2HE LYS 10 -8.324 12.712 -6.856 94 HZ1 LYS 10 3HZ LYS 10 -7.960 11.413 -8.595 95 HZ2 LYS 10 1HZ LYS 10 -9.160 12.241 -9.454 96 HZ3 LYS 10 2HZ LYS 10 -9.553 10.845 -8.583 97 H LEU 11 H LEU 11 -5.946 10.557 -3.313 98 HA LEU 11 HA LEU 11 -4.462 8.589 -4.552 99 HG LEU 11 HG LEU 11 -4.250 11.742 -3.610 100 HB2 LEU 11 1HB LEU 11 -3.728 10.029 -1.999 101 HB3 LEU 11 2HB LEU 11 -2.612 9.255 -3.136 102 HD11 LEU 11 1HD1 LEU 11 -2.408 12.408 -2.389 103 HD12 LEU 11 2HD1 LEU 11 -1.834 12.579 -4.047 104 HD13 LEU 11 3HD1 LEU 11 -1.362 11.173 -3.092 105 HD21 LEU 11 3HD2 LEU 11 -2.792 11.722 -5.763 106 HD22 LEU 11 1HD2 LEU 11 -4.278 10.773 -5.704 107 HD23 LEU 11 2HD2 LEU 11 -2.717 9.983 -5.477 108 H PHE 12 H PHE 12 -5.677 8.657 -1.223 109 HA PHE 12 HA PHE 12 -4.509 6.145 -0.519 110 HD1 PHE 12 HD2 PHE 12 -3.178 6.498 0.974 111 HD2 PHE 12 HD1 PHE 12 -5.916 9.530 2.167 112 HE1 PHE 12 HE2 PHE 12 -1.337 7.738 2.035 113 HE2 PHE 12 HE1 PHE 12 -4.080 10.776 3.231 114 HZ PHE 12 HZ PHE 12 -1.786 9.879 3.167 115 HB2 PHE 12 1HB PHE 12 -6.663 7.826 0.783 116 HB3 PHE 12 2HB PHE 12 -6.037 6.331 1.482 117 H GLU 13 H GLU 13 -7.417 7.132 -2.084 118 HA GLU 13 HA GLU 13 -9.103 4.979 -1.510 119 HE2 GLU 13 HE2 GLU 13 -12.324 6.876 -0.196 120 HB2 GLU 13 1HB GLU 13 -9.271 7.251 -3.042 121 HB3 GLU 13 2HB GLU 13 -9.270 5.972 -4.267 122 HG2 GLU 13 1HG GLU 13 -11.508 6.136 -3.887 123 HG3 GLU 13 2HG GLU 13 -11.079 4.906 -2.690 124 H GLU 14 H GLU 14 -6.530 5.327 -3.888 125 HA GLU 14 HA GLU 14 -7.080 2.847 -5.206 126 HE2 GLU 14 HE2 GLU 14 -5.105 4.711 -9.541 127 HB2 GLU 14 1HB GLU 14 -4.456 4.338 -5.244 128 HB3 GLU 14 2HB GLU 14 -5.119 3.260 -6.481 129 HG2 GLU 14 1HG GLU 14 -7.048 5.037 -6.570 130 HG3 GLU 14 2HG GLU 14 -5.806 6.089 -5.875 131 H TRP 15 H TRP 15 -4.990 3.892 -2.590 132 HA TRP 15 HA TRP 15 -3.292 1.701 -2.399 133 HD1 TRP 15 HD1 TRP 15 -3.068 4.570 -3.029 134 HE1 TRP 15 HE1 TRP 15 -0.832 5.842 -2.958 135 HE3 TRP 15 HE3 TRP 15 -1.388 3.003 1.538 136 HZ2 TRP 15 HZ2 TRP 15 1.355 6.141 -1.199 137 HZ3 TRP 15 HZ3 TRP 15 0.786 3.829 2.341 138 HH2 TRP 15 HH2 TRP 15 2.128 5.365 0.999 139 HB2 TRP 15 1HB TRP 15 -4.408 3.572 -0.308 140 HB3 TRP 15 2HB TRP 15 -3.255 2.300 0.097 141 H LYS 16 H LYS 16 -6.468 2.202 -0.884 142 HA LYS 16 HA LYS 16 -6.492 -0.404 0.317 143 HB2 LYS 16 1HB LYS 16 -7.708 1.722 1.116 144 HB3 LYS 16 2HB LYS 16 -8.914 1.329 -0.120 145 HG2 LYS 16 1HG LYS 16 -9.320 -0.836 0.935 146 HG3 LYS 16 2HG LYS 16 -8.101 -0.459 2.165 147 HD2 LYS 16 1HD LYS 16 -9.420 1.141 3.194 148 HD3 LYS 16 2HD LYS 16 -10.375 1.430 1.729 149 HE2 LYS 16 1HE LYS 16 -10.582 -1.316 2.741 150 HE3 LYS 16 2HE LYS 16 -11.166 -0.086 3.872 151 HZ1 LYS 16 3HZ LYS 16 -12.492 -1.108 1.663 152 HZ2 LYS 16 1HZ LYS 16 -12.106 0.493 1.274 153 HZ3 LYS 16 2HZ LYS 16 -12.995 0.153 2.672 154 H LYS 17 H LYS 17 -7.488 0.957 -2.707 155 HA LYS 17 HA LYS 17 -9.359 -1.034 -3.459 156 HB2 LYS 17 1HB LYS 17 -8.266 1.339 -4.576 157 HB3 LYS 17 2HB LYS 17 -8.034 0.039 -5.757 158 HG2 LYS 17 1HG LYS 17 -10.321 -0.360 -5.973 159 HG3 LYS 17 2HG LYS 17 -10.696 0.481 -4.459 160 HD2 LYS 17 1HD LYS 17 -11.206 2.254 -5.725 161 HD3 LYS 17 2HD LYS 17 -9.459 2.431 -5.968 162 HE2 LYS 17 1HE LYS 17 -9.512 1.567 -8.086 163 HE3 LYS 17 2HE LYS 17 -10.887 0.513 -7.723 164 HZ1 LYS 17 3HZ LYS 17 -10.870 3.304 -8.589 165 HZ2 LYS 17 1HZ LYS 17 -12.103 2.826 -7.532 166 HZ3 LYS 17 2HZ LYS 17 -11.914 2.045 -9.020 167 H LEU 18 H LEU 18 -5.996 -0.525 -4.545 168 HA LEU 18 HA LEU 18 -5.719 -2.886 -5.975 169 HG LEU 18 HG LEU 18 -4.636 -0.497 -6.885 170 HB2 LEU 18 1HB LEU 18 -3.806 -1.054 -4.585 171 HB3 LEU 18 2HB LEU 18 -3.219 -2.592 -5.243 172 HD11 LEU 18 1HD1 LEU 18 -2.401 0.050 -7.760 173 HD12 LEU 18 2HD1 LEU 18 -1.684 -1.003 -6.542 174 HD13 LEU 18 3HD1 LEU 18 -2.570 0.439 -6.048 175 HD21 LEU 18 3HD2 LEU 18 -3.028 -2.033 -8.509 176 HD22 LEU 18 1HD2 LEU 18 -4.774 -2.196 -8.325 177 HD23 LEU 18 2HD2 LEU 18 -3.690 -3.206 -7.369 178 H ALA 19 H ALA 19 -5.472 -2.294 -2.535 179 HA ALA 19 HA ALA 19 -4.215 -4.698 -1.783 180 HB1 ALA 19 3HB ALA 19 -5.694 -4.139 0.393 181 HB2 ALA 19 1HB ALA 19 -4.189 -3.310 -0.005 182 HB3 ALA 19 2HB ALA 19 -5.737 -2.574 -0.419 183 H GLU 20 H GLU 20 -7.458 -3.980 -2.748 184 HA GLU 20 HA GLU 20 -8.693 -6.265 -1.561 185 HE2 GLU 20 HE2 GLU 20 -13.106 -2.881 -1.819 186 HB2 GLU 20 1HB GLU 20 -9.696 -4.740 -3.967 187 HB3 GLU 20 2HB GLU 20 -10.642 -5.661 -2.789 188 HG2 GLU 20 1HG GLU 20 -9.321 -3.763 -1.253 189 HG3 GLU 20 2HG GLU 20 -9.794 -2.899 -2.724 190 H GLU 21 H GLU 21 -7.627 -5.492 -4.867 191 HA GLU 21 HA GLU 21 -8.246 -8.098 -5.870 192 HE2 GLU 21 HE2 GLU 21 -9.237 -7.086 -10.315 193 HB2 GLU 21 1HB GLU 21 -6.428 -6.006 -7.085 194 HB3 GLU 21 2HB GLU 21 -7.196 -7.362 -7.922 195 HG2 GLU 21 1HG GLU 21 -9.171 -5.736 -6.584 196 HG3 GLU 21 2HG GLU 21 -8.168 -4.767 -7.673 197 H ALA 22 H ALA 22 -5.222 -6.421 -5.043 198 HA ALA 22 HA ALA 22 -3.449 -8.474 -5.688 199 HB1 ALA 22 3HB ALA 22 -1.930 -7.366 -4.009 200 HB2 ALA 22 1HB ALA 22 -2.572 -6.314 -5.271 201 HB3 ALA 22 2HB ALA 22 -3.264 -6.270 -3.649 202 H ALA 23 H ALA 23 -5.648 -8.176 -3.055 203 HA ALA 23 HA ALA 23 -4.312 -9.993 -1.285 204 HB1 ALA 23 3HB ALA 23 -5.681 -8.697 -0.032 205 HB2 ALA 23 1HB ALA 23 -6.883 -8.533 -1.312 206 HB3 ALA 23 2HB ALA 23 -6.816 -10.009 -0.347 207 H LYS 24 H LYS 24 -7.267 -10.246 -3.269 208 HA LYS 24 HA LYS 24 -7.639 -13.010 -2.813 209 HB2 LYS 24 1HB LYS 24 -9.384 -12.907 -4.365 210 HB3 LYS 24 2HB LYS 24 -9.324 -11.273 -3.685 211 HG2 LYS 24 1HG LYS 24 -9.459 -10.700 -5.868 212 HG3 LYS 24 2HG LYS 24 -7.700 -10.898 -5.760 213 HD2 LYS 24 1HD LYS 24 -7.732 -12.555 -7.248 214 HD3 LYS 24 2HD LYS 24 -8.929 -13.440 -6.283 215 HE2 LYS 24 1HE LYS 24 -9.833 -11.118 -7.945 216 HE3 LYS 24 2HE LYS 24 -9.480 -12.663 -8.732 217 HZ1 LYS 24 3HZ LYS 24 -11.610 -13.088 -8.220 218 HZ2 LYS 24 1HZ LYS 24 -11.669 -11.946 -6.973 219 HZ3 LYS 24 2HZ LYS 24 -10.995 -13.472 -6.691 220 H LEU 25 H LEU 25 -5.756 -11.207 -5.132 221 HA LEU 25 HA LEU 25 -5.274 -13.444 -6.869 222 HG LEU 25 HG LEU 25 -6.074 -11.393 -8.491 223 HB2 LEU 25 1HB LEU 25 -4.566 -10.604 -6.751 224 HB3 LEU 25 2HB LEU 25 -3.276 -11.638 -7.389 225 HD11 LEU 25 1HD1 LEU 25 -5.186 -10.149 -10.232 226 HD12 LEU 25 2HD1 LEU 25 -3.535 -10.675 -9.902 227 HD13 LEU 25 3HD1 LEU 25 -4.324 -9.523 -8.826 228 HD21 LEU 25 3HD2 LEU 25 -4.359 -13.575 -8.640 229 HD22 LEU 25 1HD2 LEU 25 -4.127 -12.719 -10.166 230 HD23 LEU 25 2HD2 LEU 25 -5.742 -13.242 -9.683 231 H LEU 26 H LEU 26 -3.496 -11.791 -4.298 232 HA LEU 26 HA LEU 26 -1.037 -13.009 -4.491 233 HG LEU 26 HG LEU 26 -0.797 -10.591 -3.629 234 HB2 LEU 26 1HB LEU 26 -2.624 -11.780 -2.335 235 HB3 LEU 26 2HB LEU 26 -1.369 -12.909 -1.795 236 HD11 LEU 26 1HD1 LEU 26 -1.728 -10.242 -1.117 237 HD12 LEU 26 2HD1 LEU 26 -0.581 -9.161 -1.908 238 HD13 LEU 26 3HD1 LEU 26 0.000 -10.408 -0.804 239 HD21 LEU 26 3HD2 LEU 26 1.099 -11.993 -1.779 240 HD22 LEU 26 1HD2 LEU 26 1.452 -11.013 -3.202 241 HD23 LEU 26 2HD2 LEU 26 0.760 -12.624 -3.391 242 H GLU 27 H GLU 27 -3.872 -14.186 -2.685 243 HA GLU 27 HA GLU 27 -2.545 -16.736 -2.218 244 HE2 GLU 27 HE2 GLU 27 -2.610 -16.369 2.666 245 HB2 GLU 27 1HB GLU 27 -5.361 -15.997 -1.424 246 HB3 GLU 27 2HB GLU 27 -4.314 -17.239 -0.719 247 HG2 GLU 27 1HG GLU 27 -2.881 -14.879 -0.400 248 HG3 GLU 27 2HG GLU 27 -4.559 -14.439 -0.055 249 H GLY 28 H GLY 28 -3.792 -15.583 -4.853 250 HA2 GLY 28 1HA GLY 28 -5.930 -17.225 -5.615 251 HA3 GLY 28 2HA GLY 28 -4.789 -16.470 -6.719 252 H GLY 29 H GLY 29 -2.687 -18.064 -5.024 253 HA2 GLY 29 1HA GLY 29 -2.575 -20.628 -4.967 254 HA3 GLY 29 2HA GLY 29 -2.925 -20.488 -6.684 255 H GLY 30 H GLY 30 -0.774 -18.559 -4.610 256 HA2 GLY 30 1HA GLY 30 1.422 -19.262 -6.455 257 HA3 GLY 30 2HA GLY 30 1.299 -17.736 -5.592 258 H GLY 31 H GLY 31 0.698 -18.612 -3.036 259 HA2 GLY 31 1HA GLY 31 2.368 -20.699 -2.113 260 HA3 GLY 31 2HA GLY 31 3.223 -19.169 -1.989 261 H GLY 32 H GLY 32 1.750 -21.240 -0.119 262 HA2 GLY 32 1HA GLY 32 0.685 -19.133 1.640 263 HA3 GLY 32 2HA GLY 32 -0.277 -20.571 1.331 264 H GLY 33 H GLY 33 1.978 -19.164 3.363 265 HA2 GLY 33 1HA GLY 33 2.825 -21.792 4.408 266 HA3 GLY 33 2HA GLY 33 3.728 -20.300 4.620 267 H GLY 34 H GLY 34 1.730 -18.567 5.428 268 HA2 GLY 34 1HA GLY 34 0.369 -19.790 7.693 269 HA3 GLY 34 2HA GLY 34 1.641 -18.644 8.087 270 H GLY 35 H GLY 35 -1.126 -18.388 8.763 271 HA2 GLY 35 1HA GLY 35 -2.457 -16.623 6.976 272 HA3 GLY 35 2HA GLY 35 -2.859 -16.878 8.668 273 H GLU 36 H GLU 36 -0.586 -16.042 9.945 274 HA GLU 36 HA GLU 36 -0.920 -13.260 10.006 275 HE2 GLU 36 HE2 GLU 36 1.438 -11.774 14.648 276 HB2 GLU 36 1HB GLU 36 -0.110 -14.440 11.944 277 HB3 GLU 36 2HB GLU 36 1.320 -14.992 11.058 278 HG2 GLU 36 1HG GLU 36 2.386 -12.982 11.210 279 HG3 GLU 36 2HG GLU 36 0.872 -12.069 11.280 280 H LEU 37 H LEU 37 1.423 -15.292 8.345 281 HA LEU 37 HA LEU 37 3.294 -13.414 7.567 282 HG LEU 37 HG LEU 37 3.664 -14.227 4.605 283 HB2 LEU 37 1HB LEU 37 3.557 -15.804 7.180 284 HB3 LEU 37 2HB LEU 37 2.237 -15.761 5.997 285 HD11 LEU 37 1HD1 LEU 37 5.305 -14.351 6.939 286 HD12 LEU 37 2HD1 LEU 37 5.516 -13.383 5.480 287 HD13 LEU 37 3HD1 LEU 37 6.195 -15.007 5.565 288 HD21 LEU 37 3HD2 LEU 37 4.656 -17.008 5.212 289 HD22 LEU 37 1HD2 LEU 37 5.132 -16.060 3.803 290 HD23 LEU 37 2HD2 LEU 37 3.449 -16.545 4.012 291 H MET 38 H MET 38 0.440 -14.448 5.690 292 HA MET 38 HA MET 38 0.742 -12.449 3.708 293 HB2 MET 38 1HB MET 38 -0.496 -14.511 3.286 294 HB3 MET 38 2HB MET 38 -1.699 -14.048 4.499 295 HG2 MET 38 1HG MET 38 -1.473 -11.916 2.624 296 HG3 MET 38 2HG MET 38 -1.648 -13.433 1.738 297 HE1 MET 38 3HE MET 38 -4.727 -11.446 4.483 298 HE2 MET 38 1HE MET 38 -3.221 -12.026 5.195 299 HE3 MET 38 2HE MET 38 -3.183 -10.787 3.939 300 H LYS 39 H LYS 39 -0.760 -12.500 6.833 301 HA LYS 39 HA LYS 39 -2.603 -10.441 6.633 302 HB2 LYS 39 1HB LYS 39 -1.793 -12.020 8.640 303 HB3 LYS 39 2HB LYS 39 -0.932 -10.538 9.089 304 HG2 LYS 39 1HG LYS 39 -3.054 -9.298 9.060 305 HG3 LYS 39 2HG LYS 39 -3.902 -10.803 8.665 306 HD2 LYS 39 1HD LYS 39 -2.827 -11.761 10.793 307 HD3 LYS 39 2HD LYS 39 -2.467 -10.074 11.201 308 HE2 LYS 39 1HE LYS 39 -4.713 -9.496 11.410 309 HE3 LYS 39 2HE LYS 39 -5.245 -10.863 10.421 310 HZ1 LYS 39 3HZ LYS 39 -5.252 -12.246 12.175 311 HZ2 LYS 39 1HZ LYS 39 -5.381 -10.821 13.078 312 HZ3 LYS 39 2HZ LYS 39 -3.875 -11.563 12.880 313 H LEU 40 H LEU 40 0.877 -10.311 6.759 314 HA LEU 40 HA LEU 40 1.208 -7.617 7.481 315 HG LEU 40 HG LEU 40 2.787 -9.577 8.513 316 HB2 LEU 40 1HB LEU 40 2.871 -9.590 5.947 317 HB3 LEU 40 2HB LEU 40 3.380 -7.899 6.093 318 HD11 LEU 40 1HD1 LEU 40 5.206 -9.558 6.780 319 HD12 LEU 40 2HD1 LEU 40 4.458 -10.888 7.662 320 HD13 LEU 40 3HD1 LEU 40 5.407 -9.681 8.528 321 HD21 LEU 40 3HD2 LEU 40 4.865 -7.687 8.858 322 HD22 LEU 40 1HD2 LEU 40 3.256 -7.691 9.579 323 HD23 LEU 40 2HD2 LEU 40 3.531 -6.871 8.043 324 H CYS 41 H CYS 41 0.359 -9.132 4.461 325 HA CYS 41 HA CYS 41 0.909 -6.886 2.796 326 HG CYS 41 HG CYS 41 1.327 -10.400 3.069 327 HB2 CYS 41 1HB CYS 41 -1.059 -9.110 2.253 328 HB3 CYS 41 2HB CYS 41 -0.223 -8.099 1.063 329 H GLU 42 H GLU 42 -2.081 -8.204 4.202 330 HA GLU 42 HA GLU 42 -3.780 -6.192 3.179 331 HE2 GLU 42 HE2 GLU 42 -7.284 -9.650 5.810 332 HB2 GLU 42 1HB GLU 42 -4.018 -8.521 4.820 333 HB3 GLU 42 2HB GLU 42 -4.843 -7.176 5.623 334 HG2 GLU 42 1HG GLU 42 -6.154 -6.758 3.595 335 HG3 GLU 42 2HG GLU 42 -5.344 -8.122 2.811 336 H GLU 43 H GLU 43 -1.669 -6.326 5.920 337 HA GLU 43 HA GLU 43 -2.784 -4.424 7.603 338 HE2 GLU 43 HE2 GLU 43 -2.214 -5.151 11.569 339 HB2 GLU 43 1HB GLU 43 0.089 -5.143 7.023 340 HB3 GLU 43 2HB GLU 43 -0.359 -3.960 8.260 341 HG2 GLU 43 1HG GLU 43 -1.796 -6.511 8.452 342 HG3 GLU 43 2HG GLU 43 -0.046 -6.621 8.691 343 H ALA 44 H ALA 44 -1.135 -4.028 4.571 344 HA ALA 44 HA ALA 44 -0.285 -1.405 4.676 345 HB1 ALA 44 3HB ALA 44 -1.156 -1.542 2.125 346 HB2 ALA 44 1HB ALA 44 0.349 -2.265 2.694 347 HB3 ALA 44 2HB ALA 44 -1.104 -3.255 2.539 348 H ALA 45 H ALA 45 -3.529 -2.639 3.955 349 HA ALA 45 HA ALA 45 -4.643 -0.042 3.494 350 HB1 ALA 45 3HB ALA 45 -6.738 -1.781 4.108 351 HB2 ALA 45 1HB ALA 45 -6.149 -1.340 2.505 352 HB3 ALA 45 2HB ALA 45 -5.522 -2.778 3.310 353 H LYS 46 H LYS 46 -4.060 -2.008 6.271 354 HA LYS 46 HA LYS 46 -6.017 -0.880 7.993 355 HB2 LYS 46 1HB LYS 46 -4.071 -2.909 8.138 356 HB3 LYS 46 2HB LYS 46 -3.666 -1.753 9.416 357 HG2 LYS 46 1HG LYS 46 -5.182 -2.754 10.688 358 HG3 LYS 46 2HG LYS 46 -6.418 -2.071 9.618 359 HD2 LYS 46 1HD LYS 46 -5.030 -4.654 8.943 360 HD3 LYS 46 2HD LYS 46 -6.431 -4.612 10.027 361 HE2 LYS 46 1HE LYS 46 -7.869 -3.810 8.349 362 HE3 LYS 46 2HE LYS 46 -6.515 -3.309 7.325 363 HZ1 LYS 46 3HZ LYS 46 -6.041 -5.912 7.482 364 HZ2 LYS 46 1HZ LYS 46 -7.011 -5.225 6.279 365 HZ3 LYS 46 2HZ LYS 46 -7.725 -5.933 7.637 366 H LYS 47 H LYS 47 -2.568 -0.206 7.480 367 HA LYS 47 HA LYS 47 -2.397 1.867 9.401 368 HB2 LYS 47 1HB LYS 47 -0.713 0.926 7.117 369 HB3 LYS 47 2HB LYS 47 -0.369 2.510 7.830 370 HG2 LYS 47 1HG LYS 47 1.054 1.058 8.967 371 HG3 LYS 47 2HG LYS 47 -0.310 1.292 10.075 372 HD2 LYS 47 1HD LYS 47 -1.317 -0.821 9.134 373 HD3 LYS 47 2HD LYS 47 0.219 -1.076 8.288 374 HE2 LYS 47 1HE LYS 47 0.276 -2.347 10.325 375 HE3 LYS 47 2HE LYS 47 1.383 -0.975 10.488 376 HZ1 LYS 47 3HZ LYS 47 0.259 -0.266 12.243 377 HZ2 LYS 47 1HZ LYS 47 -0.701 -1.657 12.175 378 HZ3 LYS 47 2HZ LYS 47 -1.198 -0.246 11.385 379 H ALA 48 H ALA 48 -2.528 2.032 5.839 380 HA ALA 48 HA ALA 48 -2.721 4.786 5.588 381 HB1 ALA 48 3HB ALA 48 -4.349 3.501 3.600 382 HB2 ALA 48 1HB ALA 48 -2.777 4.282 3.427 383 HB3 ALA 48 2HB ALA 48 -2.871 2.578 3.875 384 H GLU 49 H GLU 49 -5.125 2.471 6.549 385 HA GLU 49 HA GLU 49 -7.411 4.094 6.066 386 HE2 GLU 49 HE2 GLU 49 -8.285 1.460 10.869 387 HB2 GLU 49 1HB GLU 49 -7.727 1.736 6.256 388 HB3 GLU 49 2HB GLU 49 -6.950 1.702 7.846 389 HG2 GLU 49 1HG GLU 49 -9.357 3.411 7.560 390 HG3 GLU 49 2HG GLU 49 -9.590 1.657 7.532 391 H GLU 50 H GLU 50 -5.411 3.478 8.928 392 HA GLU 50 HA GLU 50 -6.868 4.888 10.815 393 HE2 GLU 50 HE2 GLU 50 -3.877 4.101 15.400 394 HB2 GLU 50 1HB GLU 50 -4.226 3.787 10.588 395 HB3 GLU 50 2HB GLU 50 -4.136 5.378 11.357 396 HG2 GLU 50 1HG GLU 50 -6.168 4.388 12.763 397 HG3 GLU 50 2HG GLU 50 -5.370 2.870 12.327 398 H LEU 51 H LEU 51 -4.246 6.094 8.731 399 HA LEU 51 HA LEU 51 -4.530 8.794 9.613 400 HG LEU 51 HG LEU 51 -3.547 6.497 6.954 401 HB2 LEU 51 1HB LEU 51 -3.029 9.322 7.707 402 HB3 LEU 51 2HB LEU 51 -2.407 8.070 8.796 403 HD11 LEU 51 1HD1 LEU 51 -2.640 7.731 4.765 404 HD12 LEU 51 2HD1 LEU 51 -3.181 9.138 5.678 405 HD13 LEU 51 3HD1 LEU 51 -4.316 7.842 5.305 406 HD21 LEU 51 3HD2 LEU 51 -1.169 6.748 5.792 407 HD22 LEU 51 1HD2 LEU 51 -1.372 5.985 7.369 408 HD23 LEU 51 2HD2 LEU 51 -0.838 7.664 7.265 409 H PHE 52 H PHE 52 -5.885 6.875 7.032 410 HA PHE 52 HA PHE 52 -6.816 8.925 5.365 411 HD1 PHE 52 HD2 PHE 52 -7.826 8.555 3.035 412 HD2 PHE 52 HD1 PHE 52 -10.128 5.918 5.454 413 HE1 PHE 52 HE2 PHE 52 -9.789 8.968 1.610 414 HE2 PHE 52 HE1 PHE 52 -12.095 6.325 4.033 415 HZ PHE 52 HZ PHE 52 -11.928 7.852 2.108 416 HB2 PHE 52 1HB PHE 52 -6.811 6.657 4.575 417 HB3 PHE 52 2HB PHE 52 -7.883 6.147 5.880 418 H LYS 53 H LYS 53 -7.923 7.807 8.433 419 HA LYS 53 HA LYS 53 -10.599 8.760 8.263 420 HB2 LYS 53 1HB LYS 53 -10.127 7.102 9.902 421 HB3 LYS 53 2HB LYS 53 -8.810 8.066 10.590 422 HG2 LYS 53 1HG LYS 53 -11.521 9.274 10.606 423 HG3 LYS 53 2HG LYS 53 -11.214 7.920 11.709 424 HD2 LYS 53 1HD LYS 53 -8.976 9.665 11.864 425 HD3 LYS 53 2HD LYS 53 -10.443 10.653 11.981 426 HE2 LYS 53 1HE LYS 53 -9.969 10.054 14.202 427 HE3 LYS 53 2HE LYS 53 -11.257 8.950 13.700 428 HZ1 LYS 53 3HZ LYS 53 -8.569 7.989 13.217 429 HZ2 LYS 53 1HZ LYS 53 -9.914 7.177 13.845 430 HZ3 LYS 53 2HZ LYS 53 -8.978 8.165 14.849 431 H LEU 54 H LEU 54 -7.742 10.056 9.967 432 HA LEU 54 HA LEU 54 -9.009 12.543 10.552 433 HG LEU 54 HG LEU 54 -6.318 13.053 12.941 434 HB2 LEU 54 1HB LEU 54 -6.673 11.191 11.336 435 HB3 LEU 54 2HB LEU 54 -6.138 12.703 10.583 436 HD11 LEU 54 1HD1 LEU 54 -7.938 14.875 13.026 437 HD12 LEU 54 2HD1 LEU 54 -8.680 14.294 11.537 438 HD13 LEU 54 3HD1 LEU 54 -7.025 14.902 11.517 439 HD21 LEU 54 3HD2 LEU 54 -7.876 11.177 13.381 440 HD22 LEU 54 1HD2 LEU 54 -9.193 12.165 12.748 441 HD23 LEU 54 2HD2 LEU 54 -8.332 12.670 14.201 442 H ALA 55 H ALA 55 -7.182 11.305 7.889 443 HA ALA 55 HA ALA 55 -6.165 13.633 6.758 444 HB1 ALA 55 3HB ALA 55 -5.633 11.365 5.972 445 HB2 ALA 55 1HB ALA 55 -7.255 11.233 5.292 446 HB3 ALA 55 2HB ALA 55 -6.125 12.429 4.655 447 H GLU 56 H GLU 56 -9.427 12.493 6.959 448 HA GLU 56 HA GLU 56 -10.451 14.128 4.834 449 HE2 GLU 56 HE2 GLU 56 -13.381 8.934 6.071 450 HB2 GLU 56 1HB GLU 56 -12.141 13.052 7.071 451 HB3 GLU 56 2HB GLU 56 -12.554 13.268 5.363 452 HG2 GLU 56 1HG GLU 56 -10.940 11.434 4.814 453 HG3 GLU 56 2HG GLU 56 -10.781 11.152 6.553 454 H GLU 57 H GLU 57 -9.814 14.531 8.214 455 HA GLU 57 HA GLU 57 -11.555 16.654 8.794 456 HE2 GLU 57 HE2 GLU 57 -11.496 17.151 13.942 457 HB2 GLU 57 1HB GLU 57 -10.302 15.361 10.494 458 HB3 GLU 57 2HB GLU 57 -8.810 16.142 9.951 459 HG2 GLU 57 1HG GLU 57 -9.175 17.706 11.478 460 HG3 GLU 57 2HG GLU 57 -10.523 18.254 10.471 461 H ARG 58 H ARG 58 -8.171 16.689 7.695 462 HA ARG 58 HA ARG 58 -8.128 19.552 7.456 463 HE ARG 58 HE ARG 58 -4.217 17.254 8.803 464 HB2 ARG 58 1HB ARG 58 -5.897 19.210 6.453 465 HB3 ARG 58 2HB ARG 58 -6.081 18.373 8.002 466 HG2 ARG 58 1HG ARG 58 -6.865 16.558 5.970 467 HG3 ARG 58 2HG ARG 58 -5.333 17.301 5.479 468 HD2 ARG 58 1HD ARG 58 -5.914 15.875 8.083 469 HD3 ARG 58 2HD ARG 58 -4.869 15.321 6.767 470 HH11 ARG 58 1HH1 ARG 58 -3.454 16.035 5.632 471 HH12 ARG 58 2HH1 ARG 58 -1.823 16.621 5.657 472 HH21 ARG 58 1HH2 ARG 58 -2.073 18.031 8.847 473 HH22 ARG 58 2HH2 ARG 58 -1.038 17.755 7.486 474 H LEU 59 H LEU 59 -9.028 16.913 5.447 475 HA LEU 59 HA LEU 59 -8.743 18.382 2.969 476 HG LEU 59 HG LEU 59 -8.106 16.562 1.240 477 HB2 LEU 59 1HB LEU 59 -9.458 15.630 3.777 478 HB3 LEU 59 2HB LEU 59 -10.232 16.233 2.300 479 HD11 LEU 59 1HD1 LEU 59 -6.151 15.493 2.805 480 HD12 LEU 59 2HD1 LEU 59 -7.117 16.373 3.988 481 HD13 LEU 59 3HD1 LEU 59 -6.447 17.218 2.592 482 HD21 LEU 59 3HD2 LEU 59 -7.722 13.909 2.542 483 HD22 LEU 59 1HD2 LEU 59 -7.593 14.362 0.843 484 HD23 LEU 59 2HD2 LEU 59 -9.181 14.194 1.592 485 H LYS 60 H LYS 60 -11.580 16.587 4.116 486 HA LYS 60 HA LYS 60 -13.269 18.789 3.165 487 HB2 LYS 60 1HB LYS 60 -15.117 17.073 3.373 488 HB3 LYS 60 2HB LYS 60 -13.880 16.729 2.153 489 HG2 LYS 60 1HG LYS 60 -13.112 15.553 4.656 490 HG3 LYS 60 2HG LYS 60 -14.760 15.062 4.228 491 HD2 LYS 60 1HD LYS 60 -12.350 14.859 2.406 492 HD3 LYS 60 2HD LYS 60 -13.058 13.522 3.329 493 HE2 LYS 60 1HE LYS 60 -15.272 14.228 2.104 494 HE3 LYS 60 2HE LYS 60 -14.148 14.974 0.958 495 HZ1 LYS 60 3HZ LYS 60 -13.632 12.206 1.744 496 HZ2 LYS 60 1HZ LYS 60 -13.373 12.974 0.258 497 HZ3 LYS 60 2HZ LYS 60 -14.933 12.491 0.702 498 H LYS 61 H LYS 61 -15.536 18.574 4.509 499 HA LYS 61 HA LYS 61 -14.767 18.984 7.325 500 HB2 LYS 61 1HB LYS 61 -16.549 20.488 5.479 501 HB3 LYS 61 2HB LYS 61 -17.063 20.359 7.169 502 HG2 LYS 61 1HG LYS 61 -15.384 21.679 7.945 503 HG3 LYS 61 2HG LYS 61 -14.261 21.177 6.668 504 HD2 LYS 61 1HD LYS 61 -14.671 23.159 5.714 505 HD3 LYS 61 2HD LYS 61 -16.249 22.483 5.272 506 HE2 LYS 61 1HE LYS 61 -17.074 23.283 7.549 507 HE3 LYS 61 2HE LYS 61 -15.562 24.196 7.647 508 HZ1 LYS 61 3HZ LYS 61 -17.270 25.608 6.787 509 HZ2 LYS 61 1HZ LYS 61 -17.669 24.492 5.578 510 HZ3 LYS 61 2HZ LYS 61 -16.177 25.286 5.536 511 H LEU 62 H LEU 62 -15.167 16.819 7.900 512 HA LEU 62 HA LEU 62 -17.548 15.428 7.336 513 HG LEU 62 HG LEU 62 -15.301 14.019 6.991 514 HB2 LEU 62 1HB LEU 62 -15.300 15.133 9.261 515 HB3 LEU 62 2HB LEU 62 -16.795 14.243 9.597 516 HD11 LEU 62 1HD1 LEU 62 -13.840 13.314 8.814 517 HD12 LEU 62 2HD1 LEU 62 -14.370 11.937 7.850 518 HD13 LEU 62 3HD1 LEU 62 -15.105 12.247 9.422 519 HD21 LEU 62 3HD2 LEU 62 -17.300 13.099 6.488 520 HD22 LEU 62 1HD2 LEU 62 -17.715 12.805 8.176 521 HD23 LEU 62 2HD2 LEU 62 -16.626 11.704 7.332 522 HA MET 1 HA MET 1 10.510 -16.322 -11.390 523 H1 MET 1 1H MET 1 9.747 -16.827 -9.238 524 HB2 MET 1 1HB MET 1 12.852 -16.203 -10.397 525 HB3 MET 1 2HB MET 1 12.998 -17.918 -10.803 526 HG2 MET 1 1HG MET 1 12.055 -16.559 -13.115 527 HG3 MET 1 2HG MET 1 13.429 -15.663 -12.463 528 HE1 MET 1 3HE MET 1 12.464 -17.467 -14.915 529 HE2 MET 1 1HE MET 1 14.106 -17.497 -15.558 530 HE3 MET 1 2HE MET 1 13.302 -19.006 -15.122 531 H LYS 2 H LYS 2 9.100 -18.669 -10.211 532 HA LYS 2 HA LYS 2 9.809 -20.966 -11.750 533 HB2 LYS 2 1HB LYS 2 8.666 -21.291 -9.667 534 HB3 LYS 2 2HB LYS 2 7.326 -20.256 -10.186 535 HG2 LYS 2 1HG LYS 2 6.685 -22.596 -10.274 536 HG3 LYS 2 2HG LYS 2 6.716 -21.887 -11.897 537 HD2 LYS 2 1HD LYS 2 8.580 -23.073 -12.546 538 HD3 LYS 2 2HD LYS 2 9.168 -23.245 -10.884 539 HE2 LYS 2 1HE LYS 2 7.659 -24.980 -10.393 540 HE3 LYS 2 2HE LYS 2 6.644 -24.592 -11.789 541 HZ1 LYS 2 3HZ LYS 2 9.259 -25.216 -12.654 542 HZ2 LYS 2 1HZ LYS 2 7.803 -25.992 -13.029 543 HZ3 LYS 2 2HZ LYS 2 8.684 -26.460 -11.663 544 H LYS 3 H LYS 3 6.684 -19.272 -11.821 545 HA LYS 3 HA LYS 3 6.730 -18.518 -14.510 546 HB2 LYS 3 1HB LYS 3 6.183 -21.337 -14.044 547 HB3 LYS 3 2HB LYS 3 4.838 -20.534 -14.871 548 HG2 LYS 3 1HG LYS 3 6.839 -19.566 -16.346 549 HG3 LYS 3 2HG LYS 3 7.587 -21.082 -15.814 550 HD2 LYS 3 1HD LYS 3 5.800 -22.387 -16.733 551 HD3 LYS 3 2HD LYS 3 4.853 -20.927 -17.074 552 HE2 LYS 3 1HE LYS 3 7.425 -20.673 -18.314 553 HE3 LYS 3 2HE LYS 3 6.717 -22.235 -18.750 554 HZ1 LYS 3 3HZ LYS 3 4.930 -21.243 -19.779 555 HZ2 LYS 3 1HZ LYS 3 6.172 -20.157 -20.155 556 HZ3 LYS 3 2HZ LYS 3 5.078 -19.796 -18.917 557 H LEU 4 H LEU 4 4.771 -19.716 -11.838 558 HA LEU 4 HA LEU 4 2.724 -17.709 -12.521 559 HG LEU 4 HG LEU 4 0.556 -20.691 -12.783 560 HB2 LEU 4 1HB LEU 4 2.520 -20.454 -11.331 561 HB3 LEU 4 2HB LEU 4 1.278 -19.234 -10.992 562 HD11 LEU 4 1HD1 LEU 4 -0.081 -19.047 -14.370 563 HD12 LEU 4 2HD1 LEU 4 1.310 -18.035 -13.982 564 HD13 LEU 4 3HD1 LEU 4 0.012 -18.239 -12.805 565 HD21 LEU 4 3HD2 LEU 4 3.180 -20.823 -13.501 566 HD22 LEU 4 1HD2 LEU 4 2.522 -19.762 -14.746 567 HD23 LEU 4 2HD2 LEU 4 1.830 -21.366 -14.500 568 H ARG 5 H ARG 5 4.844 -18.985 -10.090 569 HA ARG 5 HA ARG 5 3.676 -17.639 -7.863 570 HE ARG 5 HE ARG 5 5.109 -21.554 -5.002 571 HB2 ARG 5 1HB ARG 5 6.555 -18.520 -8.100 572 HB3 ARG 5 2HB ARG 5 5.584 -18.344 -6.629 573 HG2 ARG 5 1HG ARG 5 4.122 -20.207 -7.468 574 HG3 ARG 5 2HG ARG 5 5.317 -20.454 -8.754 575 HD2 ARG 5 1HD ARG 5 6.680 -21.579 -7.390 576 HD3 ARG 5 2HD ARG 5 6.603 -20.293 -6.178 577 HH11 ARG 5 1HH1 ARG 5 5.195 -22.699 -8.288 578 HH12 ARG 5 2HH1 ARG 5 4.164 -24.057 -7.979 579 HH21 ARG 5 1HH2 ARG 5 3.751 -23.338 -4.583 580 HH22 ARG 5 2HH2 ARG 5 3.343 -24.419 -5.872 581 H GLU 6 H GLU 6 6.422 -16.939 -10.001 582 HA GLU 6 HA GLU 6 7.379 -14.649 -8.773 583 HE2 GLU 6 HE2 GLU 6 11.198 -12.964 -12.703 584 HB2 GLU 6 1HB GLU 6 7.997 -16.032 -11.043 585 HB3 GLU 6 2HB GLU 6 7.330 -14.537 -11.715 586 HG2 GLU 6 1HG GLU 6 8.924 -13.340 -10.073 587 HG3 GLU 6 2HG GLU 6 9.742 -14.907 -9.988 588 H GLU 7 H GLU 7 4.516 -15.105 -10.691 589 HA GLU 7 HA GLU 7 3.972 -12.512 -11.514 590 HE2 GLU 7 HE2 GLU 7 1.600 -12.775 -15.020 591 HB2 GLU 7 1HB GLU 7 2.014 -14.627 -10.583 592 HB3 GLU 7 2HB GLU 7 1.597 -13.187 -11.524 593 HG2 GLU 7 1HG GLU 7 3.618 -15.153 -12.545 594 HG3 GLU 7 2HG GLU 7 1.883 -15.433 -12.744 595 H ALA 8 H ALA 8 3.696 -13.965 -8.358 596 HA ALA 8 HA ALA 8 2.077 -11.907 -7.210 597 HB1 ALA 8 3HB ALA 8 3.259 -13.043 -5.066 598 HB2 ALA 8 1HB ALA 8 1.846 -13.711 -5.884 599 HB3 ALA 8 2HB ALA 8 3.456 -14.326 -6.261 600 H ALA 9 H ALA 9 5.476 -12.362 -7.748 601 HA ALA 9 HA ALA 9 6.483 -10.566 -5.822 602 HB1 ALA 9 3HB ALA 9 8.439 -11.257 -6.616 603 HB2 ALA 9 1HB ALA 9 7.552 -12.226 -7.794 604 HB3 ALA 9 2HB ALA 9 8.087 -10.598 -8.214 605 H LYS 10 H LYS 10 5.417 -10.113 -9.162 606 HA LYS 10 HA LYS 10 6.212 -7.413 -9.400 607 HB2 LYS 10 1HB LYS 10 3.874 -8.671 -10.837 608 HB3 LYS 10 2HB LYS 10 4.923 -7.357 -11.396 609 HG2 LYS 10 1HG LYS 10 6.809 -9.158 -11.217 610 HG3 LYS 10 2HG LYS 10 5.448 -10.290 -11.310 611 HD2 LYS 10 1HD LYS 10 5.858 -8.055 -13.299 612 HD3 LYS 10 2HD LYS 10 6.533 -9.680 -13.512 613 HE2 LYS 10 1HE LYS 10 4.595 -10.396 -14.345 614 HE3 LYS 10 2HE LYS 10 3.792 -9.962 -12.829 615 HZ1 LYS 10 3HZ LYS 10 2.790 -8.280 -13.834 616 HZ2 LYS 10 1HZ LYS 10 3.451 -8.779 -15.309 617 HZ3 LYS 10 2HZ LYS 10 4.262 -7.636 -14.362 618 H LEU 11 H LEU 11 3.301 -8.954 -8.182 619 HA LEU 11 HA LEU 11 1.545 -6.828 -8.100 620 HG LEU 11 HG LEU 11 1.580 -10.126 -8.017 621 HB2 LEU 11 1HB LEU 11 1.900 -8.926 -5.953 622 HB3 LEU 11 2HB LEU 11 0.449 -7.955 -6.256 623 HD11 LEU 11 1HD1 LEU 11 0.405 -11.201 -6.346 624 HD12 LEU 11 2HD1 LEU 11 -0.834 -10.968 -7.578 625 HD13 LEU 11 3HD1 LEU 11 -0.767 -9.893 -6.182 626 HD21 LEU 11 3HD2 LEU 11 -0.656 -9.639 -9.250 627 HD22 LEU 11 1HD2 LEU 11 0.761 -8.646 -9.589 628 HD23 LEU 11 2HD2 LEU 11 -0.502 -8.041 -8.518 629 H PHE 12 H PHE 12 4.069 -7.685 -5.764 630 HA PHE 12 HA PHE 12 3.466 -5.523 -3.996 631 HD1 PHE 12 HD2 PHE 12 2.893 -6.329 -2.222 632 HD2 PHE 12 HD1 PHE 12 5.689 -9.397 -3.162 633 HE1 PHE 12 HE2 PHE 12 1.619 -7.910 -0.833 634 HE2 PHE 12 HE1 PHE 12 4.418 -10.984 -1.776 635 HZ PHE 12 HZ PHE 12 2.382 -10.241 -0.608 636 HB2 PHE 12 1HB PHE 12 5.868 -7.349 -4.237 637 HB3 PHE 12 2HB PHE 12 5.696 -6.129 -2.974 638 H GLU 13 H GLU 13 5.351 -5.883 -6.859 639 HA GLU 13 HA GLU 13 7.249 -3.860 -6.527 640 HE2 GLU 13 HE2 GLU 13 10.595 -5.835 -7.297 641 HB2 GLU 13 1HB GLU 13 6.591 -5.627 -8.521 642 HB3 GLU 13 2HB GLU 13 6.140 -4.072 -9.236 643 HG2 GLU 13 1HG GLU 13 8.305 -4.197 -9.924 644 HG3 GLU 13 2HG GLU 13 8.516 -3.355 -8.382 645 H GLU 14 H GLU 14 3.882 -3.719 -7.547 646 HA GLU 14 HA GLU 14 3.961 -0.949 -8.265 647 HE2 GLU 14 HE2 GLU 14 0.181 -1.709 -11.627 648 HB2 GLU 14 1HB GLU 14 1.493 -2.535 -7.550 649 HB3 GLU 14 2HB GLU 14 1.617 -1.126 -8.615 650 HG2 GLU 14 1HG GLU 14 3.200 -2.695 -10.004 651 HG3 GLU 14 2HG GLU 14 2.320 -3.967 -9.145 652 H TRP 15 H TRP 15 3.155 -2.775 -5.379 653 HA TRP 15 HA TRP 15 1.849 -0.824 -3.895 654 HD1 TRP 15 HD1 TRP 15 1.196 -3.435 -5.091 655 HE1 TRP 15 HE1 TRP 15 -0.857 -4.815 -4.382 656 HE3 TRP 15 HE3 TRP 15 1.788 -3.225 -0.017 657 HZ2 TRP 15 HZ2 TRP 15 -2.067 -5.698 -1.989 658 HZ3 TRP 15 HZ3 TRP 15 0.139 -4.363 1.411 659 HH2 TRP 15 HH2 TRP 15 -1.749 -5.573 0.443 660 HB2 TRP 15 1HB TRP 15 3.652 -3.104 -3.080 661 HB3 TRP 15 2HB TRP 15 2.876 -2.059 -1.890 662 H LYS 16 H LYS 16 5.332 -1.502 -4.107 663 HA LYS 16 HA LYS 16 6.034 0.693 -2.400 664 HB2 LYS 16 1HB LYS 16 7.346 -1.486 -2.802 665 HB3 LYS 16 2HB LYS 16 7.914 -0.707 -4.288 666 HG2 LYS 16 1HG LYS 16 8.867 1.129 -2.989 667 HG3 LYS 16 2HG LYS 16 8.289 0.365 -1.498 668 HD2 LYS 16 1HD LYS 16 9.827 -1.360 -1.610 669 HD3 LYS 16 2HD LYS 16 10.027 -1.195 -3.363 670 HE2 LYS 16 1HE LYS 16 10.819 1.198 -1.861 671 HE3 LYS 16 2HE LYS 16 11.763 -0.246 -1.464 672 HZ1 LYS 16 3HZ LYS 16 12.050 1.401 -3.675 673 HZ2 LYS 16 1HZ LYS 16 11.438 -0.062 -4.262 674 HZ3 LYS 16 2HZ LYS 16 12.866 -0.047 -3.358 675 H LYS 17 H LYS 17 5.530 0.237 -5.796 676 HA LYS 17 HA LYS 17 6.998 2.475 -6.732 677 HB2 LYS 17 1HB LYS 17 5.400 0.407 -7.846 678 HB3 LYS 17 2HB LYS 17 4.751 1.951 -8.422 679 HG2 LYS 17 1HG LYS 17 6.738 2.543 -9.491 680 HG3 LYS 17 2HG LYS 17 7.683 1.361 -8.570 681 HD2 LYS 17 1HD LYS 17 7.493 0.020 -10.352 682 HD3 LYS 17 2HD LYS 17 5.807 -0.203 -9.851 683 HE2 LYS 17 1HE LYS 17 4.983 1.188 -11.469 684 HE3 LYS 17 2HE LYS 17 6.436 2.198 -11.475 685 HZ1 LYS 17 3HZ LYS 17 5.885 -0.264 -12.949 686 HZ2 LYS 17 1HZ LYS 17 7.480 0.001 -12.450 687 HZ3 LYS 17 2HZ LYS 17 6.705 1.130 -13.443 688 H LEU 18 H LEU 18 3.476 2.040 -6.342 689 HA LEU 18 HA LEU 18 2.732 4.668 -6.837 690 HG LEU 18 HG LEU 18 1.231 2.532 -7.779 691 HB2 LEU 18 1HB LEU 18 1.518 2.415 -5.290 692 HB3 LEU 18 2HB LEU 18 0.789 4.026 -5.198 693 HD11 LEU 18 1HD1 LEU 18 -1.189 2.087 -7.708 694 HD12 LEU 18 2HD1 LEU 18 -1.244 2.736 -6.070 695 HD13 LEU 18 3HD1 LEU 18 -0.314 1.277 -6.408 696 HD21 LEU 18 3HD2 LEU 18 -0.834 4.330 -8.077 697 HD22 LEU 18 1HD2 LEU 18 0.824 4.553 -8.633 698 HD23 LEU 18 2HD2 LEU 18 0.323 5.205 -7.072 699 H ALA 19 H ALA 19 3.982 3.191 -3.922 700 HA ALA 19 HA ALA 19 3.310 5.228 -2.098 701 HB1 ALA 19 3HB ALA 19 5.554 4.222 -1.009 702 HB2 ALA 19 1HB ALA 19 3.981 3.429 -0.917 703 HB3 ALA 19 2HB ALA 19 5.153 2.927 -2.137 704 H GLU 20 H GLU 20 5.766 5.000 -4.523 705 HA GLU 20 HA GLU 20 7.519 6.975 -3.436 706 HE2 GLU 20 HE2 GLU 20 11.187 4.073 -6.452 707 HB2 GLU 20 1HB GLU 20 7.289 6.194 -6.345 708 HB3 GLU 20 2HB GLU 20 8.704 6.840 -5.498 709 HG2 GLU 20 1HG GLU 20 8.080 4.526 -4.097 710 HG3 GLU 20 2HG GLU 20 7.818 4.105 -5.795 711 H GLU 21 H GLU 21 5.081 7.017 -6.028 712 HA GLU 21 HA GLU 21 5.347 9.828 -6.482 713 HE2 GLU 21 HE2 GLU 21 4.248 10.068 -11.011 714 HB2 GLU 21 1HB GLU 21 3.069 8.006 -7.288 715 HB3 GLU 21 2HB GLU 21 3.471 9.583 -7.989 716 HG2 GLU 21 1HG GLU 21 5.737 7.799 -8.114 717 HG3 GLU 21 2HG GLU 21 4.309 7.080 -8.872 718 H ALA 22 H ALA 22 2.894 7.801 -4.896 719 HA ALA 22 HA ALA 22 1.134 9.830 -4.148 720 HB1 ALA 22 3HB ALA 22 0.437 8.227 -2.331 721 HB2 ALA 22 1HB ALA 22 0.406 7.584 -3.974 722 HB3 ALA 22 2HB ALA 22 1.731 7.164 -2.887 723 H ALA 23 H ALA 23 4.238 9.004 -2.908 724 HA ALA 23 HA ALA 23 3.908 10.209 -0.327 725 HB1 ALA 23 3HB ALA 23 5.612 8.725 -0.178 726 HB2 ALA 23 1HB ALA 23 6.126 8.978 -1.846 727 HB3 ALA 23 2HB ALA 23 6.567 10.146 -0.599 728 H LYS 24 H LYS 24 5.714 11.161 -3.252 729 HA LYS 24 HA LYS 24 6.400 13.731 -2.296 730 HB2 LYS 24 1HB LYS 24 7.290 14.149 -4.417 731 HB3 LYS 24 2HB LYS 24 7.442 12.394 -4.232 732 HG2 LYS 24 1HG LYS 24 6.583 12.417 -6.323 733 HG3 LYS 24 2HG LYS 24 5.060 12.462 -5.418 734 HD2 LYS 24 1HD LYS 24 4.535 14.448 -6.282 735 HD3 LYS 24 2HD LYS 24 6.078 15.128 -5.737 736 HE2 LYS 24 1HE LYS 24 6.043 13.382 -8.168 737 HE3 LYS 24 2HE LYS 24 5.468 15.051 -8.290 738 HZ1 LYS 24 3HZ LYS 24 7.629 15.469 -8.660 739 HZ2 LYS 24 1HZ LYS 24 8.161 14.050 -7.907 740 HZ3 LYS 24 2HZ LYS 24 7.760 15.403 -6.975 741 H LEU 25 H LEU 25 3.602 12.470 -3.954 742 HA LEU 25 HA LEU 25 2.538 15.043 -4.660 743 HG LEU 25 HG LEU 25 2.438 13.540 -6.942 744 HB2 LEU 25 1HB LEU 25 1.796 12.229 -4.995 745 HB3 LEU 25 2HB LEU 25 0.416 13.305 -4.715 746 HD11 LEU 25 1HD1 LEU 25 0.815 12.732 -8.384 747 HD12 LEU 25 2HD1 LEU 25 -0.497 13.046 -7.248 748 HD13 LEU 25 3HD1 LEU 25 0.615 11.709 -6.961 749 HD21 LEU 25 3HD2 LEU 25 0.952 15.568 -5.756 750 HD22 LEU 25 1HD2 LEU 25 0.033 15.123 -7.194 751 HD23 LEU 25 2HD2 LEU 25 1.723 15.608 -7.343 752 H LEU 26 H LEU 26 1.965 12.668 -2.103 753 HA LEU 26 HA LEU 26 -0.263 13.730 -0.888 754 HG LEU 26 HG LEU 26 -0.238 11.160 -0.671 755 HB2 LEU 26 1HB LEU 26 2.032 12.092 -0.036 756 HB3 LEU 26 2HB LEU 26 1.201 12.958 1.269 757 HD11 LEU 26 1HD1 LEU 26 1.670 10.235 1.002 758 HD12 LEU 26 2HD1 LEU 26 0.235 9.323 0.535 759 HD13 LEU 26 3HD1 LEU 26 0.261 10.203 2.063 760 HD21 LEU 26 3HD2 LEU 26 -1.062 11.910 2.112 761 HD22 LEU 26 1HD2 LEU 26 -2.052 11.311 0.781 762 HD23 LEU 26 2HD2 LEU 26 -1.422 12.957 0.738 763 H GLU 27 H GLU 27 3.134 14.584 -0.249 764 HA GLU 27 HA GLU 27 2.284 16.833 1.394 765 HE2 GLU 27 HE2 GLU 27 4.443 15.219 5.485 766 HB2 GLU 27 1HB GLU 27 5.121 16.101 0.669 767 HB3 GLU 27 2HB GLU 27 4.554 17.046 2.054 768 HG2 GLU 27 1HG GLU 27 3.273 14.596 2.332 769 HG3 GLU 27 2HG GLU 27 4.908 14.193 1.789 770 H GLY 28 H GLY 28 2.199 16.485 -1.721 771 HA2 GLY 28 1HA GLY 28 3.882 18.404 -2.875 772 HA3 GLY 28 2HA GLY 28 2.335 17.889 -3.531 773 H GLY 29 H GLY 29 1.269 18.849 -0.743 774 HA2 GLY 29 1HA GLY 29 1.334 21.297 0.024 775 HA3 GLY 29 2HA GLY 29 0.896 21.629 -1.646 776 H GLY 30 H GLY 30 -0.245 19.093 0.570 777 HA2 GLY 30 1HA GLY 30 -2.982 20.103 0.111 778 HA3 GLY 30 2HA GLY 30 -2.581 18.417 0.406 779 H GLY 31 H GLY 31 -0.882 18.643 2.581 780 HA2 GLY 31 1HA GLY 31 -1.870 20.308 4.643 781 HA3 GLY 31 2HA GLY 31 -2.669 18.744 4.721 782 H GLY 32 H GLY 32 -0.421 20.354 6.240 783 HA2 GLY 32 1HA GLY 32 1.186 17.940 6.747 784 HA3 GLY 32 2HA GLY 32 1.995 19.470 6.442 785 H GLY 33 H GLY 33 0.767 17.435 8.800 786 HA2 GLY 33 1HA GLY 33 0.604 19.641 10.757 787 HA3 GLY 33 2HA GLY 33 -0.200 18.088 10.937 788 H GLY 34 H GLY 34 1.850 16.339 10.318 789 HA2 GLY 34 1HA GLY 34 4.123 17.017 12.010 790 HA3 GLY 34 2HA GLY 34 3.084 15.725 12.595 791 H GLY 35 H GLY 35 5.851 15.482 11.921 792 HA2 GLY 35 1HA GLY 35 6.182 14.338 9.341 793 HA3 GLY 35 2HA GLY 35 7.286 14.167 10.697 794 H GLU 36 H GLU 36 5.742 12.878 12.555 795 HA GLU 36 HA GLU 36 5.912 10.206 11.728 796 HE2 GLU 36 HE2 GLU 36 5.704 7.404 16.357 797 HB2 GLU 36 1HB GLU 36 6.083 10.781 14.063 798 HB3 GLU 36 2HB GLU 36 4.445 11.451 14.056 799 HG2 GLU 36 1HG GLU 36 3.437 9.407 14.114 800 HG3 GLU 36 2HG GLU 36 4.779 8.608 13.283 801 H LEU 37 H LEU 37 3.201 12.446 11.838 802 HA LEU 37 HA LEU 37 1.074 10.720 11.473 803 HG LEU 37 HG LEU 37 -0.489 12.256 9.290 804 HB2 LEU 37 1HB LEU 37 0.806 13.105 11.884 805 HB3 LEU 37 2HB LEU 37 1.482 13.460 10.284 806 HD11 LEU 37 1HD1 LEU 37 -0.955 11.655 12.041 807 HD12 LEU 37 2HD1 LEU 37 -1.828 11.093 10.616 808 HD13 LEU 37 3HD1 LEU 37 -2.311 12.591 11.412 809 HD21 LEU 37 3HD2 LEU 37 -0.964 14.710 10.976 810 HD22 LEU 37 1HD2 LEU 37 -2.054 14.136 9.712 811 HD23 LEU 37 2HD2 LEU 37 -0.419 14.657 9.298 812 H MET 38 H MET 38 2.896 12.394 8.900 813 HA MET 38 HA MET 38 1.657 10.971 6.788 814 HB2 MET 38 1HB MET 38 2.710 13.146 6.440 815 HB3 MET 38 2HB MET 38 4.289 12.459 6.849 816 HG2 MET 38 1HG MET 38 3.155 10.885 4.762 817 HG3 MET 38 2HG MET 38 3.021 12.589 4.323 818 HE1 MET 38 3HE MET 38 6.860 10.152 4.848 819 HE2 MET 38 1HE MET 38 5.843 10.426 6.262 820 HE3 MET 38 2HE MET 38 5.197 9.562 4.867 821 H LYS 39 H LYS 39 4.356 10.294 8.858 822 HA LYS 39 HA LYS 39 5.812 8.482 7.349 823 HB2 LYS 39 1HB LYS 39 6.038 9.423 9.848 824 HB3 LYS 39 2HB LYS 39 5.369 7.824 10.212 825 HG2 LYS 39 1HG LYS 39 7.198 6.772 8.950 826 HG3 LYS 39 2HG LYS 39 7.879 8.380 8.641 827 HD2 LYS 39 1HD LYS 39 7.881 8.675 11.193 828 HD3 LYS 39 2HD LYS 39 7.636 6.919 11.256 829 HE2 LYS 39 1HE LYS 39 9.715 6.453 10.318 830 HE3 LYS 39 2HE LYS 39 9.847 8.064 9.597 831 HZ1 LYS 39 3HZ LYS 39 10.687 8.934 11.474 832 HZ2 LYS 39 1HZ LYS 39 11.112 7.333 11.822 833 HZ3 LYS 39 2HZ LYS 39 9.711 8.001 12.495 834 H LEU 40 H LEU 40 2.723 8.103 8.914 835 HA LEU 40 HA LEU 40 2.580 5.299 8.971 836 HG LEU 40 HG LEU 40 1.710 6.816 11.055 837 HB2 LEU 40 1HB LEU 40 0.535 7.494 8.874 838 HB3 LEU 40 2HB LEU 40 0.042 5.795 8.774 839 HD11 LEU 40 1HD1 LEU 40 -1.215 7.100 10.584 840 HD12 LEU 40 2HD1 LEU 40 -0.086 8.198 11.378 841 HD13 LEU 40 3HD1 LEU 40 -0.641 6.748 12.214 842 HD21 LEU 40 3HD2 LEU 40 -0.126 4.775 11.745 843 HD22 LEU 40 1HD2 LEU 40 1.635 4.692 11.682 844 HD23 LEU 40 2HD2 LEU 40 0.682 4.286 10.254 845 H CYS 41 H CYS 41 2.142 7.600 6.395 846 HA CYS 41 HA CYS 41 0.801 5.840 4.599 847 HG CYS 41 HG CYS 41 0.748 9.127 5.934 848 HB2 CYS 41 1HB CYS 41 2.478 8.243 3.875 849 HB3 CYS 41 2HB CYS 41 1.157 7.532 2.933 850 H GLU 42 H GLU 42 4.178 6.924 4.880 851 HA GLU 42 HA GLU 42 5.152 5.355 2.744 852 HE2 GLU 42 HE2 GLU 42 9.644 8.212 4.424 853 HB2 GLU 42 1HB GLU 42 6.207 7.183 4.671 854 HB3 GLU 42 2HB GLU 42 7.216 5.728 4.660 855 HG2 GLU 42 1HG GLU 42 7.505 5.935 2.235 856 HG3 GLU 42 2HG GLU 42 6.520 7.404 2.260 857 H GLU 43 H GLU 43 4.428 4.641 6.054 858 HA GLU 43 HA GLU 43 6.041 2.436 6.538 859 HE2 GLU 43 HE2 GLU 43 7.265 2.067 10.404 860 HB2 GLU 43 1HB GLU 43 3.244 3.109 7.450 861 HB3 GLU 43 2HB GLU 43 4.106 1.670 8.021 862 HG2 GLU 43 1HG GLU 43 5.637 4.165 8.240 863 HG3 GLU 43 2HG GLU 43 4.166 4.104 9.222 864 H ALA 44 H ALA 44 3.233 2.745 4.516 865 HA ALA 44 HA ALA 44 2.358 0.138 4.284 866 HB1 ALA 44 3HB ALA 44 2.057 0.988 1.741 867 HB2 ALA 44 1HB ALA 44 0.987 1.445 3.068 868 HB3 ALA 44 2HB ALA 44 2.287 2.529 2.570 869 H ALA 45 H ALA 45 5.045 1.715 2.595 870 HA ALA 45 HA ALA 45 5.699 -0.597 1.039 871 HB1 ALA 45 3HB ALA 45 7.953 1.047 1.129 872 HB2 ALA 45 1HB ALA 45 6.709 1.005 -0.122 873 HB3 ALA 45 2HB ALA 45 6.573 2.141 1.220 874 H LYS 46 H LYS 46 6.480 0.536 4.204 875 HA LYS 46 HA LYS 46 8.917 -0.881 4.559 876 HB2 LYS 46 1HB LYS 46 7.346 0.919 6.049 877 HB3 LYS 46 2HB LYS 46 7.461 -0.554 7.027 878 HG2 LYS 46 1HG LYS 46 9.431 0.171 7.740 879 HG3 LYS 46 2HG LYS 46 10.045 -0.133 6.105 880 HD2 LYS 46 1HD LYS 46 8.658 2.448 6.789 881 HD3 LYS 46 2HD LYS 46 10.383 2.210 7.117 882 HE2 LYS 46 1HE LYS 46 10.913 1.961 4.840 883 HE3 LYS 46 2HE LYS 46 9.224 1.664 4.403 884 HZ1 LYS 46 3HZ LYS 46 9.019 4.102 5.423 885 HZ2 LYS 46 1HZ LYS 46 9.337 3.813 3.787 886 HZ3 LYS 46 2HZ LYS 46 10.605 4.184 4.842 887 H LYS 47 H LYS 47 5.548 -1.607 5.420 888 HA LYS 47 HA LYS 47 6.097 -4.115 6.611 889 HB2 LYS 47 1HB LYS 47 3.653 -2.714 5.609 890 HB3 LYS 47 2HB LYS 47 3.555 -4.448 5.958 891 HG2 LYS 47 1HG LYS 47 2.850 -3.434 7.933 892 HG3 LYS 47 2HG LYS 47 4.542 -3.865 8.241 893 HD2 LYS 47 1HD LYS 47 5.171 -1.523 7.549 894 HD3 LYS 47 2HD LYS 47 3.439 -1.149 7.546 895 HE2 LYS 47 1HE LYS 47 4.340 -0.461 9.663 896 HE3 LYS 47 2HE LYS 47 3.331 -1.893 9.920 897 HZ1 LYS 47 3HZ LYS 47 5.055 -2.967 10.768 898 HZ2 LYS 47 1HZ LYS 47 5.973 -1.551 10.660 899 HZ3 LYS 47 2HZ LYS 47 5.998 -2.672 9.395 900 H ALA 48 H ALA 48 4.672 -3.334 3.433 901 HA ALA 48 HA ALA 48 4.572 -5.909 2.412 902 HB1 ALA 48 3HB ALA 48 5.262 -4.053 0.331 903 HB2 ALA 48 1HB ALA 48 3.723 -4.853 0.654 904 HB3 ALA 48 2HB ALA 48 4.105 -3.324 1.446 905 H GLU 49 H GLU 49 7.292 -3.788 2.820 906 HA GLU 49 HA GLU 49 9.045 -5.086 0.994 907 HE2 GLU 49 HE2 GLU 49 12.057 -3.756 5.457 908 HB2 GLU 49 1HB GLU 49 9.555 -2.846 1.641 909 HB3 GLU 49 2HB GLU 49 9.540 -3.278 3.357 910 HG2 GLU 49 1HG GLU 49 11.481 -4.703 1.626 911 HG3 GLU 49 2HG GLU 49 11.785 -2.992 1.961 912 H GLU 50 H GLU 50 8.510 -5.364 4.488 913 HA GLU 50 HA GLU 50 10.548 -7.129 5.123 914 HE2 GLU 50 HE2 GLU 50 9.863 -7.753 10.576 915 HB2 GLU 50 1HB GLU 50 8.134 -6.170 6.348 916 HB3 GLU 50 2HB GLU 50 8.288 -7.910 6.634 917 HG2 GLU 50 1HG GLU 50 10.781 -7.202 7.240 918 HG3 GLU 50 2HG GLU 50 9.966 -5.673 7.602 919 H LEU 51 H LEU 51 7.217 -7.905 4.130 920 HA LEU 51 HA LEU 51 7.692 -10.718 4.059 921 HG LEU 51 HG LEU 51 5.801 -7.868 2.788 922 HB2 LEU 51 1HB LEU 51 5.488 -10.818 2.917 923 HB3 LEU 51 2HB LEU 51 5.471 -9.937 4.454 924 HD11 LEU 51 1HD1 LEU 51 3.971 -8.539 0.961 925 HD12 LEU 51 2HD1 LEU 51 4.769 -10.099 1.147 926 HD13 LEU 51 3HD1 LEU 51 5.707 -8.680 0.679 927 HD21 LEU 51 3HD2 LEU 51 3.145 -7.951 2.737 928 HD22 LEU 51 1HD2 LEU 51 4.049 -7.620 4.214 929 HD23 LEU 51 2HD2 LEU 51 3.424 -9.240 3.909 930 H PHE 52 H PHE 52 7.914 -8.110 1.750 931 HA PHE 52 HA PHE 52 7.920 -9.593 -0.626 932 HD1 PHE 52 HD2 PHE 52 7.850 -8.567 -2.977 933 HD2 PHE 52 HD1 PHE 52 11.113 -6.506 -1.184 934 HE1 PHE 52 HE2 PHE 52 8.983 -8.469 -5.160 935 HE2 PHE 52 HE1 PHE 52 12.251 -6.404 -3.363 936 HZ PHE 52 HZ PHE 52 11.186 -7.387 -5.354 937 HB2 PHE 52 1HB PHE 52 7.705 -7.202 -0.714 938 HB3 PHE 52 2HB PHE 52 9.261 -6.982 0.087 939 H LYS 53 H LYS 53 10.301 -9.243 1.843 940 HA LYS 53 HA LYS 53 12.585 -9.947 0.299 941 HB2 LYS 53 1HB LYS 53 12.957 -8.808 2.352 942 HB3 LYS 53 2HB LYS 53 12.012 -9.999 3.260 943 HG2 LYS 53 1HG LYS 53 14.394 -10.994 1.794 944 HG3 LYS 53 2HG LYS 53 14.667 -9.999 3.234 945 HD2 LYS 53 1HD LYS 53 12.619 -11.862 3.869 946 HD3 LYS 53 2HD LYS 53 13.935 -12.750 3.081 947 HE2 LYS 53 1HE LYS 53 14.496 -12.784 5.363 948 HE3 LYS 53 2HE LYS 53 15.502 -11.506 4.667 949 HZ1 LYS 53 3HZ LYS 53 12.927 -10.627 5.654 950 HZ2 LYS 53 1HZ LYS 53 14.455 -9.922 5.832 951 HZ3 LYS 53 2HZ LYS 53 13.987 -11.195 6.843 952 H LEU 54 H LEU 54 10.671 -11.822 2.657 953 HA LEU 54 HA LEU 54 11.923 -14.290 1.964 954 HG LEU 54 HG LEU 54 10.499 -15.577 5.051 955 HB2 LEU 54 1HB LEU 54 10.234 -13.342 4.000 956 HB3 LEU 54 2HB LEU 54 9.341 -14.636 3.183 957 HD11 LEU 54 1HD1 LEU 54 11.892 -17.250 3.949 958 HD12 LEU 54 2HD1 LEU 54 11.952 -16.254 2.497 959 HD13 LEU 54 3HD1 LEU 54 10.418 -16.941 3.030 960 HD21 LEU 54 3HD2 LEU 54 12.199 -13.784 5.254 961 HD22 LEU 54 1HD2 LEU 54 13.055 -14.487 3.881 962 HD23 LEU 54 2HD2 LEU 54 12.877 -15.409 5.375 963 H ALA 55 H ALA 55 9.199 -12.518 0.776 964 HA ALA 55 HA ALA 55 7.664 -14.530 -0.376 965 HB1 ALA 55 3HB ALA 55 6.976 -12.174 -0.232 966 HB2 ALA 55 1HB ALA 55 8.152 -11.766 -1.482 967 HB3 ALA 55 2HB ALA 55 6.792 -12.823 -1.861 968 H GLU 56 H GLU 56 10.753 -13.278 -1.306 969 HA GLU 56 HA GLU 56 10.667 -14.234 -4.011 970 HE2 GLU 56 HE2 GLU 56 14.137 -9.368 -2.838 971 HB2 GLU 56 1HB GLU 56 13.214 -13.675 -2.522 972 HB3 GLU 56 2HB GLU 56 12.837 -13.410 -4.232 973 HG2 GLU 56 1HG GLU 56 11.254 -11.603 -3.531 974 HG3 GLU 56 2HG GLU 56 11.876 -11.795 -1.886 975 H GLU 57 H GLU 57 11.525 -15.545 -0.921 976 HA GLU 57 HA GLU 57 13.221 -17.630 -1.726 977 HE2 GLU 57 HE2 GLU 57 15.359 -19.454 2.615 978 HB2 GLU 57 1HB GLU 57 12.900 -16.907 0.620 979 HB3 GLU 57 2HB GLU 57 11.277 -17.614 0.588 980 HG2 GLU 57 1HG GLU 57 12.174 -19.494 1.340 981 HG3 GLU 57 2HG GLU 57 12.923 -19.674 -0.253 982 H ARG 58 H ARG 58 9.699 -17.591 -1.230 983 HA ARG 58 HA ARG 58 9.391 -20.290 -2.168 984 HE ARG 58 HE ARG 58 6.577 -18.669 1.277 985 HB2 ARG 58 1HB ARG 58 6.970 -19.840 -1.985 986 HB3 ARG 58 2HB ARG 58 7.851 -19.422 -0.508 987 HG2 ARG 58 1HG ARG 58 7.784 -17.098 -2.128 988 HG3 ARG 58 2HG ARG 58 6.152 -17.784 -2.089 989 HD2 ARG 58 1HD ARG 58 7.874 -17.046 0.287 990 HD3 ARG 58 2HD ARG 58 6.397 -16.239 -0.260 991 HH11 ARG 58 1HH1 ARG 58 4.594 -16.726 -0.825 992 HH12 ARG 58 2HH1 ARG 58 3.103 -17.403 -0.258 993 HH21 ARG 58 1HH2 ARG 58 4.621 -19.567 2.031 994 HH22 ARG 58 2HH2 ARG 58 3.119 -19.018 1.367 995 H LEU 59 H LEU 59 9.488 -17.166 -3.600 996 HA LEU 59 HA LEU 59 8.080 -17.954 -6.004 997 HG LEU 59 HG LEU 59 6.866 -15.790 -6.745 998 HB2 LEU 59 1HB LEU 59 9.230 -15.469 -4.892 999 HB3 LEU 59 2HB LEU 59 9.256 -15.615 -6.658 1000 HD11 LEU 59 1HD1 LEU 59 5.842 -15.290 -4.272 1001 HD12 LEU 59 2HD1 LEU 59 7.170 -16.387 -3.897 1002 HD13 LEU 59 3HD1 LEU 59 5.917 -16.879 -5.035 1003 HD21 LEU 59 3HD2 LEU 59 7.233 -13.597 -4.761 1004 HD22 LEU 59 1HD2 LEU 59 6.361 -13.600 -6.295 1005 HD23 LEU 59 2HD2 LEU 59 8.123 -13.533 -6.283 1006 H LYS 60 H LYS 60 11.232 -16.344 -5.760 1007 HA LYS 60 HA LYS 60 12.218 -18.111 -7.884 1008 HB2 LYS 60 1HB LYS 60 14.071 -16.396 -8.051 1009 HB3 LYS 60 2HB LYS 60 12.451 -15.825 -8.483 1010 HG2 LYS 60 1HG LYS 60 12.904 -15.392 -5.681 1011 HG3 LYS 60 2HG LYS 60 14.232 -14.702 -6.631 1012 HD2 LYS 60 1HD LYS 60 11.290 -14.186 -7.118 1013 HD3 LYS 60 2HD LYS 60 12.401 -13.092 -6.274 1014 HE2 LYS 60 1HE LYS 60 13.827 -13.314 -8.469 1015 HE3 LYS 60 2HE LYS 60 12.279 -13.807 -9.171 1016 HZ1 LYS 60 3HZ LYS 60 12.309 -11.377 -7.547 1017 HZ2 LYS 60 1HZ LYS 60 11.395 -11.747 -8.921 1018 HZ3 LYS 60 2HZ LYS 60 13.017 -11.298 -9.081 1019 H LYS 61 H LYS 61 14.851 -18.111 -7.642 1020 HA LYS 61 HA LYS 61 15.347 -19.289 -4.986 1021 HB2 LYS 61 1HB LYS 61 16.071 -20.144 -7.741 1022 HB3 LYS 61 2HB LYS 61 17.270 -20.427 -6.467 1023 HG2 LYS 61 1HG LYS 61 16.017 -22.007 -5.422 1024 HG3 LYS 61 2HG LYS 61 14.484 -21.262 -5.911 1025 HD2 LYS 61 1HD LYS 61 14.328 -22.897 -7.431 1026 HD3 LYS 61 2HD LYS 61 15.598 -22.030 -8.313 1027 HE2 LYS 61 1HE LYS 61 17.277 -23.341 -6.911 1028 HE3 LYS 61 2HE LYS 61 15.904 -24.343 -6.414 1029 HZ1 LYS 61 3HZ LYS 61 16.993 -25.369 -8.263 1030 HZ2 LYS 61 1HZ LYS 61 16.895 -23.955 -9.186 1031 HZ3 LYS 61 2HZ LYS 61 15.487 -24.805 -8.788 1032 H LEU 62 H LEU 62 16.077 -17.324 -4.096 1033 HA LEU 62 HA LEU 62 18.060 -15.689 -5.242 1034 HG LEU 62 HG LEU 62 15.967 -14.381 -4.211 1035 HB2 LEU 62 1HB LEU 62 16.877 -16.044 -2.535 1036 HB3 LEU 62 2HB LEU 62 18.418 -15.179 -2.654 1037 HD11 LEU 62 1HD1 LEU 62 15.472 -14.267 -1.823 1038 HD12 LEU 62 2HD1 LEU 62 15.614 -12.655 -2.526 1039 HD13 LEU 62 3HD1 LEU 62 16.934 -13.317 -1.560 1040 HD21 LEU 62 3HD2 LEU 62 17.607 -13.239 -5.262 1041 HD22 LEU 62 1HD2 LEU 62 18.720 -13.369 -3.901 1042 HD23 LEU 62 2HD2 LEU 62 17.440 -12.157 -3.879 1043 HC1 HLT 101 HC1 HLT 101 -1.542 1.398 -1.481 Start of MODEL 2 1 HA MET 1 HA MET 1 -17.341 21.515 2.677 2 H1 MET 1 1H MET 1 -17.889 20.695 0.362 3 HB2 MET 1 1HB MET 1 -17.152 18.526 2.971 4 HB3 MET 1 2HB MET 1 -16.254 19.608 4.046 5 HG2 MET 1 1HG MET 1 -18.087 20.227 5.196 6 HG3 MET 1 2HG MET 1 -19.099 20.253 3.750 7 HE1 MET 1 3HE MET 1 -20.788 18.733 3.225 8 HE2 MET 1 1HE MET 1 -21.297 17.383 4.240 9 HE3 MET 1 2HE MET 1 -21.280 19.022 4.894 10 H LYS 2 H LYS 2 -15.980 19.341 0.337 11 HA LYS 2 HA LYS 2 -13.321 20.524 0.796 12 HB2 LYS 2 1HB LYS 2 -14.044 17.877 -0.486 13 HB3 LYS 2 2HB LYS 2 -12.401 18.521 -0.323 14 HG2 LYS 2 1HG LYS 2 -12.355 17.242 1.523 15 HG3 LYS 2 2HG LYS 2 -13.199 18.623 2.246 16 HD2 LYS 2 1HD LYS 2 -15.091 17.462 2.534 17 HD3 LYS 2 2HD LYS 2 -15.015 16.796 0.892 18 HE2 LYS 2 1HE LYS 2 -12.995 15.419 2.063 19 HE3 LYS 2 2HE LYS 2 -14.075 15.659 3.445 20 HZ1 LYS 2 3HZ LYS 2 -14.376 13.604 1.930 21 HZ2 LYS 2 1HZ LYS 2 -15.177 14.680 0.899 22 HZ3 LYS 2 2HZ LYS 2 -15.744 14.437 2.474 23 H LYS 3 H LYS 3 -11.979 20.296 -1.378 24 HA LYS 3 HA LYS 3 -13.543 20.872 -3.746 25 HB2 LYS 3 1HB LYS 3 -11.770 22.944 -2.439 26 HB3 LYS 3 2HB LYS 3 -12.308 23.042 -4.123 27 HG2 LYS 3 1HG LYS 3 -14.692 22.849 -3.162 28 HG3 LYS 3 2HG LYS 3 -13.930 23.272 -1.618 29 HD2 LYS 3 1HD LYS 3 -13.306 25.391 -2.342 30 HD3 LYS 3 2HD LYS 3 -13.402 24.933 -4.052 31 HE2 LYS 3 1HE LYS 3 -15.964 24.633 -2.697 32 HE3 LYS 3 2HE LYS 3 -15.335 26.283 -2.592 33 HZ1 LYS 3 3HZ LYS 3 -14.889 25.690 -5.172 34 HZ2 LYS 3 1HZ LYS 3 -16.258 26.503 -4.602 35 HZ3 LYS 3 2HZ LYS 3 -16.322 24.838 -4.887 36 H LEU 4 H LEU 4 -10.221 21.437 -2.569 37 HA LEU 4 HA LEU 4 -9.256 19.830 -4.843 38 HG LEU 4 HG LEU 4 -7.862 23.124 -5.777 39 HB2 LEU 4 1HB LEU 4 -7.898 22.130 -3.425 40 HB3 LEU 4 2HB LEU 4 -7.185 21.156 -4.722 41 HD11 LEU 4 1HD1 LEU 4 -8.651 20.990 -6.850 42 HD12 LEU 4 2HD1 LEU 4 -9.513 22.450 -7.334 43 HD13 LEU 4 3HD1 LEU 4 -10.246 21.335 -6.181 44 HD21 LEU 4 3HD2 LEU 4 -9.333 24.499 -4.849 45 HD22 LEU 4 1HD2 LEU 4 -9.757 23.253 -3.674 46 HD23 LEU 4 2HD2 LEU 4 -10.636 23.362 -5.200 47 H ARG 5 H ARG 5 -9.279 20.250 -1.437 48 HA ARG 5 HA ARG 5 -6.912 18.809 -0.812 49 HE ARG 5 HE ARG 5 -5.881 21.496 2.962 50 HB2 ARG 5 1HB ARG 5 -9.341 19.687 0.702 51 HB3 ARG 5 2HB ARG 5 -8.255 18.497 1.434 52 HG2 ARG 5 1HG ARG 5 -7.250 21.121 0.359 53 HG3 ARG 5 2HG ARG 5 -7.860 20.937 2.012 54 HD2 ARG 5 1HD ARG 5 -6.153 18.830 1.880 55 HD3 ARG 5 2HD ARG 5 -5.350 19.982 0.803 56 HH11 ARG 5 1HH1 ARG 5 -4.406 18.363 2.595 57 HH12 ARG 5 2HH1 ARG 5 -3.387 18.536 3.984 58 HH21 ARG 5 1HH2 ARG 5 -4.544 21.735 4.794 59 HH22 ARG 5 2HH2 ARG 5 -3.467 20.453 5.235 60 H GLU 6 H GLU 6 -10.328 17.894 -1.065 61 HA GLU 6 HA GLU 6 -10.180 15.278 -0.176 62 HE2 GLU 6 HE2 GLU 6 -12.866 11.963 -1.395 63 HB2 GLU 6 1HB GLU 6 -12.085 16.900 -1.451 64 HB3 GLU 6 2HB GLU 6 -11.923 15.463 -2.472 65 HG2 GLU 6 1HG GLU 6 -12.100 14.838 0.376 66 HG3 GLU 6 2HG GLU 6 -13.519 15.683 -0.260 67 H GLU 7 H GLU 7 -9.098 16.658 -3.180 68 HA GLU 7 HA GLU 7 -8.947 14.378 -4.778 69 HE2 GLU 7 HE2 GLU 7 -7.496 17.337 -8.788 70 HB2 GLU 7 1HB GLU 7 -7.062 16.748 -4.713 71 HB3 GLU 7 2HB GLU 7 -7.210 15.581 -6.038 72 HG2 GLU 7 1HG GLU 7 -9.804 16.462 -5.672 73 HG3 GLU 7 2HG GLU 7 -8.820 17.912 -5.427 74 H ALA 8 H ALA 8 -6.951 15.431 -2.133 75 HA ALA 8 HA ALA 8 -4.753 13.681 -2.706 76 HB1 ALA 8 3HB ALA 8 -4.352 14.247 -0.137 77 HB2 ALA 8 1HB ALA 8 -3.986 15.393 -1.427 78 HB3 ALA 8 2HB ALA 8 -5.492 15.537 -0.519 79 H ALA 9 H ALA 9 -7.749 13.442 -0.954 80 HA ALA 9 HA ALA 9 -7.153 11.256 0.706 81 HB1 ALA 9 3HB ALA 9 -9.483 12.751 -0.052 82 HB2 ALA 9 1HB ALA 9 -9.850 11.026 -0.017 83 HB3 ALA 9 2HB ALA 9 -9.181 11.815 1.412 84 H LYS 10 H LYS 10 -8.415 11.404 -2.602 85 HA LYS 10 HA LYS 10 -8.952 8.703 -2.987 86 HB2 LYS 10 1HB LYS 10 -7.827 10.560 -5.092 87 HB3 LYS 10 2HB LYS 10 -8.866 9.148 -5.342 88 HG2 LYS 10 1HG LYS 10 -10.598 10.424 -3.921 89 HG3 LYS 10 2HG LYS 10 -9.590 11.843 -4.262 90 HD2 LYS 10 1HD LYS 10 -10.375 12.020 -6.345 91 HD3 LYS 10 2HD LYS 10 -10.093 10.300 -6.660 92 HE2 LYS 10 1HE LYS 10 -12.412 11.097 -4.941 93 HE3 LYS 10 2HE LYS 10 -12.524 11.294 -6.697 94 HZ1 LYS 10 3HZ LYS 10 -12.025 8.950 -6.970 95 HZ2 LYS 10 1HZ LYS 10 -13.382 9.151 -5.981 96 HZ3 LYS 10 2HZ LYS 10 -11.887 8.753 -5.296 97 H LEU 11 H LEU 11 -5.917 10.431 -3.012 98 HA LEU 11 HA LEU 11 -4.262 8.680 -4.356 99 HG LEU 11 HG LEU 11 -4.417 11.824 -3.375 100 HB2 LEU 11 1HB LEU 11 -3.576 10.180 -1.823 101 HB3 LEU 11 2HB LEU 11 -2.438 9.573 -3.038 102 HD11 LEU 11 1HD1 LEU 11 -1.449 11.655 -3.045 103 HD12 LEU 11 2HD1 LEU 11 -2.608 12.694 -2.217 104 HD13 LEU 11 3HD1 LEU 11 -2.186 13.009 -3.900 105 HD21 LEU 11 3HD2 LEU 11 -2.502 10.649 -5.388 106 HD22 LEU 11 1HD2 LEU 11 -3.506 12.081 -5.618 107 HD23 LEU 11 2HD2 LEU 11 -4.260 10.498 -5.426 108 H PHE 12 H PHE 12 -5.225 8.594 -0.940 109 HA PHE 12 HA PHE 12 -3.738 6.220 -0.372 110 HD1 PHE 12 HD2 PHE 12 -2.321 6.826 0.896 111 HD2 PHE 12 HD1 PHE 12 -5.308 9.365 2.555 112 HE1 PHE 12 HE2 PHE 12 -0.566 8.298 1.794 113 HE2 PHE 12 HE1 PHE 12 -3.557 10.842 3.454 114 HZ PHE 12 HZ PHE 12 -1.184 10.308 3.076 115 HB2 PHE 12 1HB PHE 12 -5.953 7.629 1.137 116 HB3 PHE 12 2HB PHE 12 -5.074 6.232 1.760 117 H GLU 13 H GLU 13 -6.886 6.904 -1.624 118 HA GLU 13 HA GLU 13 -8.307 4.622 -0.952 119 HE2 GLU 13 HE2 GLU 13 -12.071 7.201 -4.226 120 HB2 GLU 13 1HB GLU 13 -9.064 6.719 -2.242 121 HB3 GLU 13 2HB GLU 13 -8.482 5.870 -3.683 122 HG2 GLU 13 1HG GLU 13 -9.999 3.978 -3.123 123 HG3 GLU 13 2HG GLU 13 -10.652 4.965 -1.808 124 H GLU 14 H GLU 14 -5.804 5.077 -3.357 125 HA GLU 14 HA GLU 14 -6.215 2.670 -4.785 126 HE2 GLU 14 HE2 GLU 14 -4.230 4.963 -9.016 127 HB2 GLU 14 1HB GLU 14 -3.598 4.143 -4.420 128 HB3 GLU 14 2HB GLU 14 -4.037 3.052 -5.742 129 HG2 GLU 14 1HG GLU 14 -5.989 4.810 -6.076 130 HG3 GLU 14 2HG GLU 14 -4.826 5.871 -5.271 131 H TRP 15 H TRP 15 -4.473 3.453 -1.855 132 HA TRP 15 HA TRP 15 -2.964 1.059 -1.684 133 HD1 TRP 15 HD1 TRP 15 -2.165 -0.349 -0.168 134 HE1 TRP 15 HE1 TRP 15 -0.164 -0.881 1.363 135 HE3 TRP 15 HE3 TRP 15 -1.545 4.246 1.985 136 HZ2 TRP 15 HZ2 TRP 15 1.460 0.469 3.235 137 HZ3 TRP 15 HZ3 TRP 15 0.255 4.542 3.636 138 HH2 TRP 15 HH2 TRP 15 1.725 2.691 4.248 139 HB2 TRP 15 1HB TRP 15 -2.699 3.316 -0.400 140 HB3 TRP 15 2HB TRP 15 -3.853 2.609 0.730 141 H LYS 16 H LYS 16 -6.088 2.045 -0.327 142 HA LYS 16 HA LYS 16 -6.509 -0.468 0.995 143 HB2 LYS 16 1HB LYS 16 -7.518 1.459 1.976 144 HB3 LYS 16 2HB LYS 16 -8.305 1.894 0.450 145 HG2 LYS 16 1HG LYS 16 -9.882 0.176 0.621 146 HG3 LYS 16 2HG LYS 16 -8.932 -0.681 1.848 147 HD2 LYS 16 1HD LYS 16 -10.420 0.267 3.267 148 HD3 LYS 16 2HD LYS 16 -9.322 1.652 3.128 149 HE2 LYS 16 1HE LYS 16 -10.822 2.895 1.995 150 HE3 LYS 16 2HE LYS 16 -11.339 1.519 1.010 151 HZ1 LYS 16 3HZ LYS 16 -12.534 0.741 3.098 152 HZ2 LYS 16 1HZ LYS 16 -13.193 2.068 2.283 153 HZ3 LYS 16 2HZ LYS 16 -12.293 2.306 3.694 154 H LYS 17 H LYS 17 -7.369 0.950 -2.082 155 HA LYS 17 HA LYS 17 -9.310 -1.028 -2.784 156 HB2 LYS 17 1HB LYS 17 -9.102 1.331 -3.730 157 HB3 LYS 17 2HB LYS 17 -7.765 0.706 -4.708 158 HG2 LYS 17 1HG LYS 17 -9.165 -0.115 -6.216 159 HG3 LYS 17 2HG LYS 17 -10.037 -1.020 -4.965 160 HD2 LYS 17 1HD LYS 17 -11.680 0.528 -4.784 161 HD3 LYS 17 2HD LYS 17 -10.564 1.881 -5.036 162 HE2 LYS 17 1HE LYS 17 -10.587 0.522 -7.480 163 HE3 LYS 17 2HE LYS 17 -12.271 0.523 -6.936 164 HZ1 LYS 17 3HZ LYS 17 -11.082 2.555 -8.227 165 HZ2 LYS 17 1HZ LYS 17 -10.924 3.056 -6.619 166 HZ3 LYS 17 2HZ LYS 17 -12.455 2.715 -7.252 167 H LEU 18 H LEU 18 -5.951 -0.430 -3.818 168 HA LEU 18 HA LEU 18 -5.665 -2.632 -5.490 169 HG LEU 18 HG LEU 18 -4.547 0.087 -5.780 170 HB2 LEU 18 1HB LEU 18 -3.690 -1.114 -3.795 171 HB3 LEU 18 2HB LEU 18 -3.199 -2.448 -4.852 172 HD11 LEU 18 1HD1 LEU 18 -1.694 -0.709 -5.494 173 HD12 LEU 18 2HD1 LEU 18 -2.461 0.857 -5.240 174 HD13 LEU 18 3HD1 LEU 18 -2.168 0.276 -6.879 175 HD21 LEU 18 3HD2 LEU 18 -3.487 -2.336 -7.207 176 HD22 LEU 18 1HD2 LEU 18 -3.694 -0.782 -8.014 177 HD23 LEU 18 2HD2 LEU 18 -5.089 -1.605 -7.317 178 H ALA 19 H ALA 19 -5.642 -2.430 -2.019 179 HA ALA 19 HA ALA 19 -4.410 -4.956 -1.535 180 HB1 ALA 19 3HB ALA 19 -6.279 -3.676 0.413 181 HB2 ALA 19 1HB ALA 19 -4.783 -4.564 0.708 182 HB3 ALA 19 2HB ALA 19 -4.723 -2.925 0.057 183 H GLU 20 H GLU 20 -7.610 -3.933 -2.343 184 HA GLU 20 HA GLU 20 -8.979 -6.232 -1.343 185 HE2 GLU 20 HE2 GLU 20 -13.019 -2.978 -0.159 186 HB2 GLU 20 1HB GLU 20 -9.883 -4.361 -3.540 187 HB3 GLU 20 2HB GLU 20 -10.899 -5.398 -2.527 188 HG2 GLU 20 1HG GLU 20 -9.774 -3.970 -0.588 189 HG3 GLU 20 2HG GLU 20 -9.631 -2.796 -1.906 190 H GLU 21 H GLU 21 -7.927 -5.220 -4.588 191 HA GLU 21 HA GLU 21 -8.747 -7.667 -5.818 192 HE2 GLU 21 HE2 GLU 21 -9.747 -6.003 -10.172 193 HB2 GLU 21 1HB GLU 21 -6.807 -5.596 -6.871 194 HB3 GLU 21 2HB GLU 21 -7.680 -6.813 -7.815 195 HG2 GLU 21 1HG GLU 21 -9.511 -5.188 -6.280 196 HG3 GLU 21 2HG GLU 21 -8.466 -4.195 -7.307 197 H ALA 22 H ALA 22 -5.568 -6.277 -5.013 198 HA ALA 22 HA ALA 22 -3.956 -8.354 -5.868 199 HB1 ALA 22 3HB ALA 22 -3.480 -6.666 -3.416 200 HB2 ALA 22 1HB ALA 22 -2.265 -7.504 -4.382 201 HB3 ALA 22 2HB ALA 22 -3.157 -6.147 -5.071 202 H ALA 23 H ALA 23 -5.946 -8.128 -3.013 203 HA ALA 23 HA ALA 23 -4.759 -10.300 -1.601 204 HB1 ALA 23 3HB ALA 23 -5.926 -8.970 -0.159 205 HB2 ALA 23 1HB ALA 23 -7.228 -8.671 -1.312 206 HB3 ALA 23 2HB ALA 23 -7.139 -10.214 -0.462 207 H LYS 24 H LYS 24 -7.804 -10.015 -3.438 208 HA LYS 24 HA LYS 24 -8.466 -12.754 -3.281 209 HB2 LYS 24 1HB LYS 24 -10.025 -12.253 -5.163 210 HB3 LYS 24 2HB LYS 24 -10.177 -11.144 -3.791 211 HG2 LYS 24 1HG LYS 24 -8.846 -9.468 -4.984 212 HG3 LYS 24 2HG LYS 24 -8.713 -10.576 -6.361 213 HD2 LYS 24 1HD LYS 24 -11.454 -10.011 -5.373 214 HD3 LYS 24 2HD LYS 24 -10.604 -8.685 -6.186 215 HE2 LYS 24 1HE LYS 24 -10.222 -10.078 -8.148 216 HE3 LYS 24 2HE LYS 24 -10.977 -11.452 -7.329 217 HZ1 LYS 24 3HZ LYS 24 -12.998 -9.898 -7.144 218 HZ2 LYS 24 1HZ LYS 24 -12.670 -10.624 -8.638 219 HZ3 LYS 24 2HZ LYS 24 -12.248 -9.007 -8.372 220 H LEU 25 H LEU 25 -6.512 -10.902 -5.519 221 HA LEU 25 HA LEU 25 -6.304 -12.993 -7.469 222 HG LEU 25 HG LEU 25 -6.890 -10.810 -8.964 223 HB2 LEU 25 1HB LEU 25 -5.385 -10.253 -7.143 224 HB3 LEU 25 2HB LEU 25 -4.137 -11.304 -7.834 225 HD11 LEU 25 1HD1 LEU 25 -5.272 -8.964 -9.233 226 HD12 LEU 25 2HD1 LEU 25 -5.730 -9.709 -10.765 227 HD13 LEU 25 3HD1 LEU 25 -4.169 -10.082 -10.035 228 HD21 LEU 25 3HD2 LEU 25 -4.672 -12.646 -9.844 229 HD22 LEU 25 1HD2 LEU 25 -5.989 -12.135 -10.901 230 HD23 LEU 25 2HD2 LEU 25 -6.339 -13.069 -9.446 231 H LEU 26 H LEU 26 -4.276 -11.784 -4.837 232 HA LEU 26 HA LEU 26 -1.963 -13.216 -5.261 233 HG LEU 26 HG LEU 26 -1.436 -10.974 -4.279 234 HB2 LEU 26 1HB LEU 26 -3.339 -12.079 -2.907 235 HB3 LEU 26 2HB LEU 26 -2.134 -13.333 -2.567 236 HD11 LEU 26 1HD1 LEU 26 -1.185 -11.059 -1.278 237 HD12 LEU 26 2HD1 LEU 26 -2.432 -10.162 -2.143 238 HD13 LEU 26 3HD1 LEU 26 -0.734 -9.739 -2.358 239 HD21 LEU 26 3HD2 LEU 26 0.006 -13.064 -4.032 240 HD22 LEU 26 1HD2 LEU 26 0.289 -12.529 -2.375 241 HD23 LEU 26 2HD2 LEU 26 0.780 -11.507 -3.727 242 H GLU 27 H GLU 27 -4.864 -14.272 -3.495 243 HA GLU 27 HA GLU 27 -3.785 -16.984 -3.344 244 HE2 GLU 27 HE2 GLU 27 -1.670 -15.644 0.013 245 HB2 GLU 27 1HB GLU 27 -6.424 -16.026 -2.233 246 HB3 GLU 27 2HB GLU 27 -5.486 -17.450 -1.755 247 HG2 GLU 27 1HG GLU 27 -4.724 -14.568 -1.283 248 HG3 GLU 27 2HG GLU 27 -5.322 -15.716 -0.077 249 H GLY 28 H GLY 28 -5.076 -15.427 -5.735 250 HA2 GLY 28 1HA GLY 28 -7.449 -16.721 -6.465 251 HA3 GLY 28 2HA GLY 28 -6.308 -15.993 -7.586 252 H GLY 29 H GLY 29 -4.299 -17.987 -6.238 253 HA2 GLY 29 1HA GLY 29 -4.501 -20.539 -6.434 254 HA3 GLY 29 2HA GLY 29 -4.959 -20.181 -8.092 255 H GLY 30 H GLY 30 -2.433 -18.752 -6.036 256 HA2 GLY 30 1HA GLY 30 -0.416 -19.859 -7.873 257 HA3 GLY 30 2HA GLY 30 -0.441 -18.132 -7.549 258 H GLY 31 H GLY 31 -0.947 -20.856 -5.327 259 HA2 GLY 31 1HA GLY 31 1.381 -21.306 -4.139 260 HA3 GLY 31 2HA GLY 31 1.040 -19.690 -3.537 261 H GLY 32 H GLY 32 -0.732 -22.765 -3.954 262 HA2 GLY 32 1HA GLY 32 -2.173 -23.867 -2.546 263 HA3 GLY 32 2HA GLY 32 -1.108 -23.317 -1.261 264 H GLY 33 H GLY 33 -1.785 -21.746 0.108 265 HA2 GLY 33 1HA GLY 33 -3.727 -19.799 -0.445 266 HA3 GLY 33 2HA GLY 33 -4.534 -21.177 0.288 267 H GLY 34 H GLY 34 -4.949 -20.721 2.347 268 HA2 GLY 34 1HA GLY 34 -4.359 -20.475 4.595 269 HA3 GLY 34 2HA GLY 34 -2.739 -20.009 4.096 270 H GLY 35 H GLY 35 -5.347 -18.893 5.651 271 HA2 GLY 35 1HA GLY 35 -5.706 -16.311 4.497 272 HA3 GLY 35 2HA GLY 35 -6.223 -16.812 6.100 273 H GLU 36 H GLU 36 -3.762 -17.506 7.212 274 HA GLU 36 HA GLU 36 -2.856 -15.106 8.231 275 HE2 GLU 36 HE2 GLU 36 1.589 -18.551 10.323 276 HB2 GLU 36 1HB GLU 36 -2.362 -17.141 9.381 277 HB3 GLU 36 2HB GLU 36 -1.456 -17.769 7.996 278 HG2 GLU 36 1HG GLU 36 0.269 -16.090 8.313 279 HG3 GLU 36 2HG GLU 36 -0.644 -15.396 9.660 280 H LEU 37 H LEU 37 -1.751 -16.867 5.397 281 HA LEU 37 HA LEU 37 0.597 -15.400 4.905 282 HG LEU 37 HG LEU 37 -0.172 -15.366 1.636 283 HB2 LEU 37 1HB LEU 37 0.334 -17.449 3.770 284 HB3 LEU 37 2HB LEU 37 -1.249 -16.972 3.133 285 HD11 LEU 37 1HD1 LEU 37 2.136 -15.976 3.305 286 HD12 LEU 37 2HD1 LEU 37 1.810 -14.575 2.284 287 HD13 LEU 37 3HD1 LEU 37 2.485 -16.043 1.578 288 HD21 LEU 37 3HD2 LEU 37 -0.456 -17.287 0.454 289 HD22 LEU 37 1HD2 LEU 37 0.486 -18.257 1.588 290 HD23 LEU 37 2HD2 LEU 37 1.307 -17.214 0.425 291 H MET 38 H MET 38 -2.759 -14.876 3.945 292 HA MET 38 HA MET 38 -2.194 -12.652 2.248 293 HB2 MET 38 1HB MET 38 -4.229 -14.074 2.057 294 HB3 MET 38 2HB MET 38 -4.806 -13.386 3.582 295 HG2 MET 38 1HG MET 38 -4.263 -11.136 2.114 296 HG3 MET 38 2HG MET 38 -4.842 -12.267 0.888 297 HE1 MET 38 3HE MET 38 -6.537 -10.224 4.299 298 HE2 MET 38 1HE MET 38 -6.972 -11.861 4.793 299 HE3 MET 38 2HE MET 38 -5.289 -11.461 4.452 300 H LYS 39 H LYS 39 -2.673 -13.069 5.647 301 HA LYS 39 HA LYS 39 -3.556 -10.566 6.441 302 HB2 LYS 39 1HB LYS 39 -3.199 -12.611 7.884 303 HB3 LYS 39 2HB LYS 39 -1.481 -12.188 7.916 304 HG2 LYS 39 1HG LYS 39 -2.062 -10.000 8.917 305 HG3 LYS 39 2HG LYS 39 -3.755 -10.519 8.968 306 HD2 LYS 39 1HD LYS 39 -1.851 -12.425 10.159 307 HD3 LYS 39 2HD LYS 39 -1.971 -10.865 10.992 308 HE2 LYS 39 1HE LYS 39 -4.527 -12.160 10.202 309 HE3 LYS 39 2HE LYS 39 -3.605 -12.921 11.507 310 HZ1 LYS 39 3HZ LYS 39 -3.514 -10.391 12.291 311 HZ2 LYS 39 1HZ LYS 39 -4.751 -11.452 12.747 312 HZ3 LYS 39 2HZ LYS 39 -4.994 -10.368 11.471 313 H LEU 40 H LEU 40 -0.420 -11.562 5.305 314 HA LEU 40 HA LEU 40 1.124 -9.423 6.262 315 HG LEU 40 HG LEU 40 2.817 -11.491 6.365 316 HB2 LEU 40 1HB LEU 40 1.414 -11.602 4.387 317 HB3 LEU 40 2HB LEU 40 2.159 -10.122 3.758 318 HD11 LEU 40 1HD1 LEU 40 3.927 -12.758 4.829 319 HD12 LEU 40 2HD1 LEU 40 5.110 -11.471 5.059 320 HD13 LEU 40 3HD1 LEU 40 4.040 -11.445 3.657 321 HD21 LEU 40 3HD2 LEU 40 4.719 -9.520 5.640 322 HD22 LEU 40 1HD2 LEU 40 3.684 -9.575 7.067 323 HD23 LEU 40 2HD2 LEU 40 3.123 -8.769 5.602 324 H CYS 41 H CYS 41 -0.258 -9.864 2.999 325 HA CYS 41 HA CYS 41 0.295 -7.198 2.195 326 HG CYS 41 HG CYS 41 -3.378 -8.636 1.057 327 HB2 CYS 41 1HB CYS 41 -0.914 -7.693 0.206 328 HB3 CYS 41 2HB CYS 41 -0.022 -9.158 0.651 329 H GLU 42 H GLU 42 -2.296 -8.680 3.931 330 HA GLU 42 HA GLU 42 -4.410 -6.955 3.410 331 HE2 GLU 42 HE2 GLU 42 -7.974 -9.502 7.178 332 HB2 GLU 42 1HB GLU 42 -4.397 -9.094 4.802 333 HB3 GLU 42 2HB GLU 42 -3.824 -8.087 6.141 334 HG2 GLU 42 1HG GLU 42 -5.841 -6.682 5.926 335 HG3 GLU 42 2HG GLU 42 -6.422 -7.767 4.654 336 H GLU 43 H GLU 43 -1.510 -6.437 5.226 337 HA GLU 43 HA GLU 43 -2.247 -4.384 6.938 338 HE2 GLU 43 HE2 GLU 43 0.157 -5.935 10.385 339 HB2 GLU 43 1HB GLU 43 0.359 -4.599 5.411 340 HB3 GLU 43 2HB GLU 43 0.089 -3.705 6.916 341 HG2 GLU 43 1HG GLU 43 -0.661 -6.518 7.112 342 HG3 GLU 43 2HG GLU 43 1.044 -6.268 6.712 343 H ALA 44 H ALA 44 -1.475 -4.279 3.503 344 HA ALA 44 HA ALA 44 -1.225 -1.563 3.089 345 HB1 ALA 44 3HB ALA 44 -2.216 -3.810 1.398 346 HB2 ALA 44 1HB ALA 44 -2.378 -2.154 0.812 347 HB3 ALA 44 2HB ALA 44 -0.783 -2.800 1.205 348 H ALA 45 H ALA 45 -4.185 -3.489 3.331 349 HA ALA 45 HA ALA 45 -5.924 -1.278 2.794 350 HB1 ALA 45 3HB ALA 45 -7.156 -3.083 2.310 351 HB2 ALA 45 1HB ALA 45 -6.207 -4.130 3.366 352 HB3 ALA 45 2HB ALA 45 -7.498 -3.135 4.040 353 H LYS 46 H LYS 46 -4.341 -2.531 5.588 354 HA LYS 46 HA LYS 46 -6.124 -1.400 7.525 355 HB2 LYS 46 1HB LYS 46 -3.856 -3.126 7.527 356 HB3 LYS 46 2HB LYS 46 -3.517 -1.772 8.618 357 HG2 LYS 46 1HG LYS 46 -6.201 -2.875 8.956 358 HG3 LYS 46 2HG LYS 46 -4.903 -4.042 9.268 359 HD2 LYS 46 1HD LYS 46 -3.970 -2.746 10.983 360 HD3 LYS 46 2HD LYS 46 -4.827 -1.287 10.455 361 HE2 LYS 46 1HE LYS 46 -6.981 -2.640 11.006 362 HE3 LYS 46 2HE LYS 46 -5.882 -3.658 11.949 363 HZ1 LYS 46 3HZ LYS 46 -6.491 -0.790 12.338 364 HZ2 LYS 46 1HZ LYS 46 -5.127 -1.513 13.031 365 HZ3 LYS 46 2HZ LYS 46 -6.673 -2.062 13.439 366 H LYS 47 H LYS 47 -2.913 -0.510 6.281 367 HA LYS 47 HA LYS 47 -2.499 1.781 7.791 368 HB2 LYS 47 1HB LYS 47 -1.522 0.757 5.180 369 HB3 LYS 47 2HB LYS 47 -1.291 2.485 5.491 370 HG2 LYS 47 1HG LYS 47 0.679 1.228 6.145 371 HG3 LYS 47 2HG LYS 47 -0.100 1.959 7.560 372 HD2 LYS 47 1HD LYS 47 -1.102 -0.723 6.965 373 HD3 LYS 47 2HD LYS 47 0.637 -0.682 7.311 374 HE2 LYS 47 1HE LYS 47 -1.446 0.624 9.073 375 HE3 LYS 47 2HE LYS 47 -0.849 -1.025 9.311 376 HZ1 LYS 47 3HZ LYS 47 1.455 0.221 9.215 377 HZ2 LYS 47 1HZ LYS 47 0.575 0.093 10.654 378 HZ3 LYS 47 2HZ LYS 47 0.515 1.521 9.751 379 H ALA 48 H ALA 48 -3.887 1.580 4.511 380 HA ALA 48 HA ALA 48 -4.506 4.244 4.145 381 HB1 ALA 48 3HB ALA 48 -5.357 1.714 2.987 382 HB2 ALA 48 1HB ALA 48 -6.609 2.954 2.927 383 HB3 ALA 48 2HB ALA 48 -5.027 3.261 2.210 384 H GLU 49 H GLU 49 -6.289 1.782 5.923 385 HA GLU 49 HA GLU 49 -8.660 3.247 6.326 386 HE2 GLU 49 HE2 GLU 49 -10.702 -1.373 7.139 387 HB2 GLU 49 1HB GLU 49 -8.228 0.753 6.722 388 HB3 GLU 49 2HB GLU 49 -7.551 1.245 8.282 389 HG2 GLU 49 1HG GLU 49 -9.562 1.392 9.190 390 HG3 GLU 49 2HG GLU 49 -10.105 2.481 7.906 391 H GLU 50 H GLU 50 -5.716 2.943 8.283 392 HA GLU 50 HA GLU 50 -6.664 4.676 10.351 393 HE2 GLU 50 HE2 GLU 50 -4.853 4.687 14.352 394 HB2 GLU 50 1HB GLU 50 -4.108 3.296 9.694 395 HB3 GLU 50 2HB GLU 50 -4.025 4.700 10.770 396 HG2 GLU 50 1HG GLU 50 -5.940 2.443 11.280 397 HG3 GLU 50 2HG GLU 50 -4.259 2.391 11.831 398 H LEU 51 H LEU 51 -4.980 5.105 7.345 399 HA LEU 51 HA LEU 51 -3.958 7.710 7.901 400 HG LEU 51 HG LEU 51 -2.583 5.458 6.945 401 HB2 LEU 51 1HB LEU 51 -4.460 6.273 5.290 402 HB3 LEU 51 2HB LEU 51 -3.613 7.823 5.444 403 HD11 LEU 51 1HD1 LEU 51 -2.148 4.274 5.125 404 HD12 LEU 51 2HD1 LEU 51 -1.209 5.621 4.483 405 HD13 LEU 51 3HD1 LEU 51 -2.929 5.493 4.117 406 HD21 LEU 51 3HD2 LEU 51 -1.660 7.749 7.244 407 HD22 LEU 51 1HD2 LEU 51 -1.187 7.734 5.545 408 HD23 LEU 51 2HD2 LEU 51 -0.477 6.573 6.666 409 H PHE 52 H PHE 52 -6.682 6.554 5.915 410 HA PHE 52 HA PHE 52 -7.696 9.033 5.178 411 HD1 PHE 52 HD2 PHE 52 -9.688 8.968 3.068 412 HD2 PHE 52 HD1 PHE 52 -11.207 7.012 6.530 413 HE1 PHE 52 HE2 PHE 52 -11.894 9.982 2.670 414 HE2 PHE 52 HE1 PHE 52 -13.416 8.022 6.136 415 HZ PHE 52 HZ PHE 52 -13.762 9.510 4.204 416 HB2 PHE 52 1HB PHE 52 -8.507 7.048 4.106 417 HB3 PHE 52 2HB PHE 52 -9.097 6.399 5.638 418 H LYS 53 H LYS 53 -8.057 7.240 8.157 419 HA LYS 53 HA LYS 53 -10.244 8.471 9.307 420 HB2 LYS 53 1HB LYS 53 -7.740 7.245 10.383 421 HB3 LYS 53 2HB LYS 53 -8.783 8.143 11.497 422 HG2 LYS 53 1HG LYS 53 -9.681 5.832 9.773 423 HG3 LYS 53 2HG LYS 53 -9.246 5.727 11.488 424 HD2 LYS 53 1HD LYS 53 -11.150 7.851 11.099 425 HD3 LYS 53 2HD LYS 53 -11.759 6.348 10.383 426 HE2 LYS 53 1HE LYS 53 -10.584 6.396 13.157 427 HE3 LYS 53 2HE LYS 53 -12.278 6.815 12.858 428 HZ1 LYS 53 3HZ LYS 53 -12.752 4.667 12.836 429 HZ2 LYS 53 1HZ LYS 53 -11.124 4.264 13.059 430 HZ3 LYS 53 2HZ LYS 53 -11.746 4.439 11.495 431 H LEU 54 H LEU 54 -6.841 9.444 9.778 432 HA LEU 54 HA LEU 54 -7.591 11.939 10.970 433 HG LEU 54 HG LEU 54 -4.325 11.024 12.453 434 HB2 LEU 54 1HB LEU 54 -5.023 10.626 10.177 435 HB3 LEU 54 2HB LEU 54 -5.041 12.365 10.520 436 HD11 LEU 54 1HD1 LEU 54 -5.187 12.596 13.760 437 HD12 LEU 54 2HD1 LEU 54 -6.815 11.946 13.571 438 HD13 LEU 54 3HD1 LEU 54 -6.185 13.100 12.396 439 HD21 LEU 54 3HD2 LEU 54 -5.951 9.631 13.633 440 HD22 LEU 54 1HD2 LEU 54 -5.633 9.014 12.012 441 HD23 LEU 54 2HD2 LEU 54 -7.123 9.898 12.342 442 H ALA 55 H ALA 55 -6.961 10.826 7.763 443 HA ALA 55 HA ALA 55 -6.145 13.146 6.475 444 HB1 ALA 55 3HB ALA 55 -6.728 12.113 4.475 445 HB2 ALA 55 1HB ALA 55 -6.429 10.755 5.560 446 HB3 ALA 55 2HB ALA 55 -8.084 11.251 5.201 447 H GLU 56 H GLU 56 -9.376 12.117 7.439 448 HA GLU 56 HA GLU 56 -10.936 13.927 6.054 449 HE2 GLU 56 HE2 GLU 56 -13.913 9.417 8.634 450 HB2 GLU 56 1HB GLU 56 -11.461 13.199 8.934 451 HB3 GLU 56 2HB GLU 56 -12.638 13.536 7.654 452 HG2 GLU 56 1HG GLU 56 -11.740 11.461 6.483 453 HG3 GLU 56 2HG GLU 56 -10.937 11.093 8.016 454 H GLU 57 H GLU 57 -8.867 14.451 8.807 455 HA GLU 57 HA GLU 57 -9.938 16.968 9.582 456 HE2 GLU 57 HE2 GLU 57 -5.853 19.815 10.503 457 HB2 GLU 57 1HB GLU 57 -8.499 15.447 10.998 458 HB3 GLU 57 2HB GLU 57 -7.117 15.996 10.036 459 HG2 GLU 57 1HG GLU 57 -8.769 18.154 11.158 460 HG3 GLU 57 2HG GLU 57 -7.939 17.139 12.348 461 H ARG 58 H ARG 58 -7.134 16.031 7.608 462 HA ARG 58 HA ARG 58 -6.492 18.752 6.953 463 HE ARG 58 HE ARG 58 -3.515 15.243 5.555 464 HB2 ARG 58 1HB ARG 58 -5.510 16.264 5.549 465 HB3 ARG 58 2HB ARG 58 -4.726 17.850 5.623 466 HG2 ARG 58 1HG ARG 58 -3.534 17.132 7.345 467 HG3 ARG 58 2HG ARG 58 -5.035 17.045 8.283 468 HD2 ARG 58 1HD ARG 58 -3.881 14.908 8.372 469 HD3 ARG 58 2HD ARG 58 -5.397 14.753 7.475 470 HH11 ARG 58 1HH1 ARG 58 -3.922 12.873 8.073 471 HH12 ARG 58 2HH1 ARG 58 -3.086 11.624 7.211 472 HH21 ARG 58 1HH2 ARG 58 -2.412 13.606 4.412 473 HH22 ARG 58 2HH2 ARG 58 -2.227 12.042 5.129 474 H LEU 59 H LEU 59 -8.742 16.503 5.821 475 HA LEU 59 HA LEU 59 -8.853 17.643 3.134 476 HG LEU 59 HG LEU 59 -7.908 15.031 3.766 477 HB2 LEU 59 1HB LEU 59 -10.434 15.401 4.405 478 HB3 LEU 59 2HB LEU 59 -10.557 15.917 2.714 479 HD11 LEU 59 1HD1 LEU 59 -9.961 13.093 2.733 480 HD12 LEU 59 2HD1 LEU 59 -9.671 13.356 4.452 481 HD13 LEU 59 3HD1 LEU 59 -8.375 12.744 3.424 482 HD21 LEU 59 3HD2 LEU 59 -9.010 14.300 1.113 483 HD22 LEU 59 1HD2 LEU 59 -7.372 14.762 1.575 484 HD23 LEU 59 2HD2 LEU 59 -8.617 15.998 1.392 485 H LYS 60 H LYS 60 -11.222 16.909 5.703 486 HA LYS 60 HA LYS 60 -12.663 19.362 4.928 487 HB2 LYS 60 1HB LYS 60 -14.724 18.193 5.791 488 HB3 LYS 60 2HB LYS 60 -14.035 17.517 4.306 489 HG2 LYS 60 1HG LYS 60 -14.549 15.633 5.555 490 HG3 LYS 60 2HG LYS 60 -12.819 15.873 5.865 491 HD2 LYS 60 1HD LYS 60 -13.149 16.212 8.052 492 HD3 LYS 60 2HD LYS 60 -14.481 17.339 7.744 493 HE2 LYS 60 1HE LYS 60 -14.726 14.323 7.631 494 HE3 LYS 60 2HE LYS 60 -15.161 15.323 9.025 495 HZ1 LYS 60 3HZ LYS 60 -16.566 14.938 6.522 496 HZ2 LYS 60 1HZ LYS 60 -16.530 16.535 7.081 497 HZ3 LYS 60 2HZ LYS 60 -17.169 15.311 8.058 498 H LYS 61 H LYS 61 -14.374 19.745 6.902 499 HA LYS 61 HA LYS 61 -12.670 19.997 9.290 500 HB2 LYS 61 1HB LYS 61 -14.275 21.865 9.903 501 HB3 LYS 61 2HB LYS 61 -13.220 22.166 8.512 502 HG2 LYS 61 1HG LYS 61 -14.930 22.300 7.063 503 HG3 LYS 61 2HG LYS 61 -15.816 20.978 7.843 504 HD2 LYS 61 1HD LYS 61 -17.018 22.369 9.146 505 HD3 LYS 61 2HD LYS 61 -15.625 23.421 9.456 506 HE2 LYS 61 1HE LYS 61 -16.047 24.768 7.656 507 HE3 LYS 61 2HE LYS 61 -16.767 23.452 6.719 508 HZ1 LYS 61 3HZ LYS 61 -18.185 24.396 9.104 509 HZ2 LYS 61 1HZ LYS 61 -18.805 23.757 7.665 510 HZ3 LYS 61 2HZ LYS 61 -18.238 25.350 7.709 511 H LEU 62 H LEU 62 -13.199 18.010 10.218 512 HA LEU 62 HA LEU 62 -15.690 16.865 10.502 513 HG LEU 62 HG LEU 62 -13.057 16.056 10.033 514 HB2 LEU 62 1HB LEU 62 -13.576 16.832 12.655 515 HB3 LEU 62 2HB LEU 62 -14.798 15.598 12.308 516 HD11 LEU 62 1HD1 LEU 62 -11.355 16.608 11.604 517 HD12 LEU 62 2HD1 LEU 62 -11.081 14.945 11.087 518 HD13 LEU 62 3HD1 LEU 62 -11.811 15.270 12.659 519 HD21 LEU 62 3HD2 LEU 62 -14.648 14.073 10.917 520 HD22 LEU 62 1HD2 LEU 62 -13.082 13.487 11.479 521 HD23 LEU 62 2HD2 LEU 62 -13.331 13.833 9.767 522 HA MET 1 HA MET 1 14.634 -21.417 -10.395 523 H1 MET 1 1H MET 1 14.330 -20.037 -12.477 524 HB2 MET 1 1HB MET 1 15.046 -18.608 -9.395 525 HB3 MET 1 2HB MET 1 14.496 -19.893 -8.308 526 HG2 MET 1 1HG MET 1 16.512 -20.884 -8.217 527 HG3 MET 1 2HG MET 1 16.846 -20.573 -9.923 528 HE1 MET 1 3HE MET 1 18.400 -19.050 -10.767 529 HE2 MET 1 1HE MET 1 19.476 -18.049 -9.793 530 HE3 MET 1 2HE MET 1 19.465 -19.799 -9.576 531 H LYS 2 H LYS 2 12.804 -18.639 -11.386 532 HA LYS 2 HA LYS 2 10.403 -19.772 -10.107 533 HB2 LYS 2 1HB LYS 2 10.949 -16.920 -10.965 534 HB3 LYS 2 2HB LYS 2 9.434 -17.504 -10.258 535 HG2 LYS 2 1HG LYS 2 10.334 -16.753 -8.342 536 HG3 LYS 2 2HG LYS 2 11.173 -18.314 -8.370 537 HD2 LYS 2 1HD LYS 2 13.176 -17.361 -8.678 538 HD3 LYS 2 2HD LYS 2 12.548 -16.285 -9.939 539 HE2 LYS 2 1HE LYS 2 11.411 -15.167 -7.747 540 HE3 LYS 2 2HE LYS 2 12.903 -15.813 -7.050 541 HZ1 LYS 2 3HZ LYS 2 12.886 -13.450 -8.061 542 HZ2 LYS 2 1HZ LYS 2 13.027 -14.256 -9.543 543 HZ3 LYS 2 2HZ LYS 2 14.209 -14.464 -8.351 544 H LYS 3 H LYS 3 8.355 -18.915 -11.393 545 HA LYS 3 HA LYS 3 8.730 -18.926 -14.265 546 HB2 LYS 3 1HB LYS 3 7.330 -21.176 -12.809 547 HB3 LYS 3 2HB LYS 3 7.124 -20.856 -14.538 548 HG2 LYS 3 1HG LYS 3 9.692 -21.040 -14.672 549 HG3 LYS 3 2HG LYS 3 9.558 -21.815 -13.085 550 HD2 LYS 3 1HD LYS 3 8.372 -23.636 -13.912 551 HD3 LYS 3 2HD LYS 3 7.846 -22.751 -15.355 552 HE2 LYS 3 1HE LYS 3 10.748 -22.944 -15.197 553 HE3 LYS 3 2HE LYS 3 9.966 -24.532 -15.191 554 HZ1 LYS 3 3HZ LYS 3 8.620 -23.263 -17.137 555 HZ2 LYS 3 1HZ LYS 3 9.958 -24.263 -17.398 556 HZ3 LYS 3 2HZ LYS 3 10.160 -22.586 -17.316 557 H LEU 4 H LEU 4 6.108 -19.621 -11.943 558 HA LEU 4 HA LEU 4 4.581 -17.420 -13.172 559 HG LEU 4 HG LEU 4 2.440 -20.277 -14.133 560 HB2 LEU 4 1HB LEU 4 3.559 -19.946 -11.861 561 HB3 LEU 4 2HB LEU 4 2.550 -18.630 -12.485 562 HD11 LEU 4 1HD1 LEU 4 3.060 -17.976 -14.940 563 HD12 LEU 4 2HD1 LEU 4 3.424 -19.296 -16.051 564 HD13 LEU 4 3HD1 LEU 4 4.716 -18.564 -15.098 565 HD21 LEU 4 3HD2 LEU 4 3.923 -21.921 -14.240 566 HD22 LEU 4 1HD2 LEU 4 4.967 -21.053 -13.113 567 HD23 LEU 4 2HD2 LEU 4 5.139 -20.798 -14.851 568 H ARG 5 H ARG 5 5.888 -18.739 -10.284 569 HA ARG 5 HA ARG 5 4.221 -17.407 -8.410 570 HE ARG 5 HE ARG 5 4.380 -20.949 -5.258 571 HB2 ARG 5 1HB ARG 5 6.886 -18.768 -8.310 572 HB3 ARG 5 2HB ARG 5 6.380 -17.766 -6.941 573 HG2 ARG 5 1HG ARG 5 4.637 -19.959 -8.039 574 HG3 ARG 5 2HG ARG 5 5.876 -20.251 -6.807 575 HD2 ARG 5 1HD ARG 5 4.608 -18.107 -5.728 576 HD3 ARG 5 2HD ARG 5 3.275 -18.889 -6.589 577 HH11 ARG 5 1HH1 ARG 5 3.379 -17.769 -4.257 578 HH12 ARG 5 2HH1 ARG 5 2.981 -18.259 -2.643 579 HH21 ARG 5 1HH2 ARG 5 3.860 -21.608 -3.137 580 HH22 ARG 5 2HH2 ARG 5 3.256 -20.442 -2.007 581 H GLU 6 H GLU 6 7.345 -16.613 -9.886 582 HA GLU 6 HA GLU 6 7.969 -14.326 -8.458 583 HE2 GLU 6 HE2 GLU 6 10.414 -10.926 -9.934 584 HB2 GLU 6 1HB GLU 6 8.937 -15.636 -10.744 585 HB3 GLU 6 2HB GLU 6 8.599 -13.977 -11.257 586 HG2 GLU 6 1HG GLU 6 9.993 -14.130 -8.694 587 HG3 GLU 6 2HG GLU 6 10.894 -14.838 -10.042 588 H GLU 7 H GLU 7 5.589 -14.803 -10.952 589 HA GLU 7 HA GLU 7 5.163 -12.177 -11.780 590 HE2 GLU 7 HE2 GLU 7 1.797 -13.890 -15.339 591 HB2 GLU 7 1HB GLU 7 3.118 -14.387 -11.447 592 HB3 GLU 7 2HB GLU 7 2.903 -12.919 -12.413 593 HG2 GLU 7 1HG GLU 7 5.259 -13.986 -13.390 594 HG3 GLU 7 2HG GLU 7 4.244 -15.402 -13.080 595 H ALA 8 H ALA 8 4.250 -13.799 -8.844 596 HA ALA 8 HA ALA 8 2.304 -11.861 -8.024 597 HB1 ALA 8 3HB ALA 8 2.877 -13.067 -5.724 598 HB2 ALA 8 1HB ALA 8 1.861 -13.816 -6.957 599 HB3 ALA 8 2HB ALA 8 3.563 -14.261 -6.827 600 H ALA 9 H ALA 9 5.747 -12.224 -7.722 601 HA ALA 9 HA ALA 9 6.199 -10.524 -5.526 602 HB1 ALA 9 3HB ALA 9 7.782 -11.890 -7.494 603 HB2 ALA 9 1HB ALA 9 8.397 -10.257 -7.238 604 HB3 ALA 9 2HB ALA 9 8.226 -11.360 -5.872 605 H LYS 10 H LYS 10 5.951 -9.880 -8.994 606 HA LYS 10 HA LYS 10 6.742 -7.214 -9.015 607 HB2 LYS 10 1HB LYS 10 4.538 -8.378 -10.727 608 HB3 LYS 10 2HB LYS 10 5.607 -7.022 -11.118 609 HG2 LYS 10 1HG LYS 10 7.521 -8.738 -10.917 610 HG3 LYS 10 2HG LYS 10 6.233 -9.947 -11.053 611 HD2 LYS 10 1HD LYS 10 6.030 -9.627 -13.255 612 HD3 LYS 10 2HD LYS 10 5.951 -7.869 -13.051 613 HE2 LYS 10 1HE LYS 10 8.594 -9.241 -12.755 614 HE3 LYS 10 2HE LYS 10 7.928 -8.987 -14.374 615 HZ1 LYS 10 3HZ LYS 10 7.780 -6.623 -13.918 616 HZ2 LYS 10 1HZ LYS 10 9.368 -7.164 -13.700 617 HZ3 LYS 10 2HZ LYS 10 8.387 -6.855 -12.356 618 H LEU 11 H LEU 11 3.701 -8.668 -8.078 619 HA LEU 11 HA LEU 11 1.992 -6.503 -8.131 620 HG LEU 11 HG LEU 11 1.961 -9.808 -8.036 621 HB2 LEU 11 1HB LEU 11 2.126 -8.602 -5.959 622 HB3 LEU 11 2HB LEU 11 0.724 -7.606 -6.388 623 HD11 LEU 11 1HD1 LEU 11 -0.552 -9.517 -6.437 624 HD12 LEU 11 2HD1 LEU 11 0.627 -10.828 -6.438 625 HD13 LEU 11 3HD1 LEU 11 -0.473 -10.632 -7.802 626 HD21 LEU 11 3HD2 LEU 11 -0.340 -7.982 -8.720 627 HD22 LEU 11 1HD2 LEU 11 0.208 -9.364 -9.668 628 HD23 LEU 11 2HD2 LEU 11 1.254 -7.957 -9.472 629 H PHE 12 H PHE 12 4.269 -7.433 -5.574 630 HA PHE 12 HA PHE 12 3.589 -5.231 -3.884 631 HD1 PHE 12 HD2 PHE 12 2.737 -6.103 -2.292 632 HD2 PHE 12 HD1 PHE 12 5.661 -9.157 -2.778 633 HE1 PHE 12 HE2 PHE 12 1.286 -7.679 -1.081 634 HE2 PHE 12 HE1 PHE 12 4.215 -10.739 -1.568 635 HZ PHE 12 HZ PHE 12 2.025 -9.999 -0.717 636 HB2 PHE 12 1HB PHE 12 5.952 -7.124 -3.879 637 HB3 PHE 12 2HB PHE 12 5.654 -5.916 -2.627 638 H GLU 13 H GLU 13 5.788 -5.730 -6.510 639 HA GLU 13 HA GLU 13 7.684 -3.746 -6.009 640 HE2 GLU 13 HE2 GLU 13 9.586 -5.720 -10.911 641 HB2 GLU 13 1HB GLU 13 7.623 -5.541 -7.856 642 HB3 GLU 13 2HB GLU 13 6.665 -4.366 -8.770 643 HG2 GLU 13 1HG GLU 13 8.516 -2.722 -8.508 644 HG3 GLU 13 2HG GLU 13 9.475 -4.007 -7.761 645 H GLU 14 H GLU 14 4.531 -3.548 -7.609 646 HA GLU 14 HA GLU 14 4.790 -0.767 -8.239 647 HE2 GLU 14 HE2 GLU 14 2.337 -1.693 -12.746 648 HB2 GLU 14 1HB GLU 14 2.221 -2.347 -8.077 649 HB3 GLU 14 2HB GLU 14 2.548 -0.897 -9.038 650 HG2 GLU 14 1HG GLU 14 4.397 -2.459 -10.115 651 HG3 GLU 14 2HG GLU 14 3.289 -3.719 -9.555 652 H TRP 15 H TRP 15 3.616 -2.607 -5.536 653 HA TRP 15 HA TRP 15 1.967 -0.707 -4.316 654 HD1 TRP 15 HD1 TRP 15 0.507 -2.126 -4.969 655 HE1 TRP 15 HE1 TRP 15 -1.613 -3.343 -4.163 656 HE3 TRP 15 HE3 TRP 15 2.271 -3.983 -0.544 657 HZ2 TRP 15 HZ2 TRP 15 -2.430 -4.885 -1.944 658 HZ3 TRP 15 HZ3 TRP 15 0.756 -5.318 0.862 659 HH2 TRP 15 HH2 TRP 15 -1.545 -5.759 0.175 660 HB2 TRP 15 1HB TRP 15 3.431 -3.136 -3.461 661 HB3 TRP 15 2HB TRP 15 3.024 -1.999 -2.175 662 H LYS 16 H LYS 16 5.448 -1.304 -3.918 663 HA LYS 16 HA LYS 16 5.783 0.897 -2.106 664 HB2 LYS 16 1HB LYS 16 7.268 -0.954 -1.853 665 HB3 LYS 16 2HB LYS 16 7.735 -0.887 -3.559 666 HG2 LYS 16 1HG LYS 16 9.039 1.031 -3.266 667 HG3 LYS 16 2HG LYS 16 8.280 1.405 -1.708 668 HD2 LYS 16 1HD LYS 16 10.170 0.488 -0.868 669 HD3 LYS 16 2HD LYS 16 9.295 -1.026 -1.151 670 HE2 LYS 16 1HE LYS 16 10.671 -1.665 -2.816 671 HE3 LYS 16 2HE LYS 16 10.738 -0.033 -3.497 672 HZ1 LYS 16 3HZ LYS 16 12.239 0.499 -1.534 673 HZ2 LYS 16 1HZ LYS 16 12.892 -0.461 -2.765 674 HZ3 LYS 16 2HZ LYS 16 12.378 -1.174 -1.321 675 H LYS 17 H LYS 17 5.945 0.428 -5.539 676 HA LYS 17 HA LYS 17 7.504 2.700 -6.193 677 HB2 LYS 17 1HB LYS 17 6.901 0.690 -7.669 678 HB3 LYS 17 2HB LYS 17 5.365 1.522 -7.957 679 HG2 LYS 17 1HG LYS 17 6.280 2.815 -9.506 680 HG3 LYS 17 2HG LYS 17 7.541 3.338 -8.376 681 HD2 LYS 17 1HD LYS 17 9.074 1.878 -9.181 682 HD3 LYS 17 2HD LYS 17 7.862 0.615 -9.461 683 HE2 LYS 17 1HE LYS 17 7.205 2.640 -11.275 684 HE3 LYS 17 2HE LYS 17 8.972 2.544 -11.308 685 HZ1 LYS 17 3HZ LYS 17 7.330 0.941 -12.704 686 HZ2 LYS 17 1HZ LYS 17 7.648 -0.020 -11.348 687 HZ3 LYS 17 2HZ LYS 17 8.924 0.553 -12.297 688 H LEU 18 H LEU 18 3.980 2.179 -6.197 689 HA LEU 18 HA LEU 18 3.217 4.746 -6.956 690 HG LEU 18 HG LEU 18 1.967 2.177 -7.696 691 HB2 LEU 18 1HB LEU 18 1.877 2.640 -5.273 692 HB3 LEU 18 2HB LEU 18 1.099 4.193 -5.624 693 HD11 LEU 18 1HD1 LEU 18 -0.597 2.655 -6.263 694 HD12 LEU 18 2HD1 LEU 18 0.145 1.141 -6.781 695 HD13 LEU 18 3HD1 LEU 18 -0.646 2.184 -7.962 696 HD21 LEU 18 3HD2 LEU 18 0.600 4.848 -7.860 697 HD22 LEU 18 1HD2 LEU 18 0.465 3.640 -9.138 698 HD23 LEU 18 2HD2 LEU 18 2.045 4.296 -8.709 699 H ALA 19 H ALA 19 4.387 3.559 -3.918 700 HA ALA 19 HA ALA 19 3.426 5.710 -2.307 701 HB1 ALA 19 3HB ALA 19 5.838 4.103 -1.580 702 HB2 ALA 19 1HB ALA 19 4.549 4.724 -0.548 703 HB3 ALA 19 2HB ALA 19 4.246 3.344 -1.605 704 H GLU 20 H GLU 20 6.080 5.308 -4.458 705 HA GLU 20 HA GLU 20 7.792 7.289 -3.320 706 HE2 GLU 20 HE2 GLU 20 11.903 4.273 -4.878 707 HB2 GLU 20 1HB GLU 20 7.744 6.300 -6.178 708 HB3 GLU 20 2HB GLU 20 9.095 7.079 -5.339 709 HG2 GLU 20 1HG GLU 20 8.785 5.024 -3.692 710 HG3 GLU 20 2HG GLU 20 8.097 4.295 -5.149 711 H GLU 21 H GLU 21 5.569 7.272 -6.097 712 HA GLU 21 HA GLU 21 5.948 10.050 -6.654 713 HE2 GLU 21 HE2 GLU 21 5.180 9.972 -11.356 714 HB2 GLU 21 1HB GLU 21 3.684 8.251 -7.545 715 HB3 GLU 21 2HB GLU 21 4.179 9.782 -8.283 716 HG2 GLU 21 1HG GLU 21 6.394 7.929 -8.158 717 HG3 GLU 21 2HG GLU 21 5.005 7.228 -8.999 718 H ALA 22 H ALA 22 3.265 8.182 -5.245 719 HA ALA 22 HA ALA 22 1.523 10.263 -4.711 720 HB1 ALA 22 3HB ALA 22 1.946 7.836 -2.974 721 HB2 ALA 22 1HB ALA 22 0.492 8.828 -3.075 722 HB3 ALA 22 2HB ALA 22 0.995 7.858 -4.459 723 H ALA 23 H ALA 23 4.427 9.313 -3.025 724 HA ALA 23 HA ALA 23 3.939 10.799 -0.645 725 HB1 ALA 23 3HB ALA 23 5.513 9.190 -0.261 726 HB2 ALA 23 1HB ALA 23 6.275 9.401 -1.838 727 HB3 ALA 23 2HB ALA 23 6.567 10.574 -0.553 728 H LYS 24 H LYS 24 6.057 11.405 -3.450 729 HA LYS 24 HA LYS 24 6.830 13.996 -2.646 730 HB2 LYS 24 1HB LYS 24 7.545 14.275 -5.021 731 HB3 LYS 24 2HB LYS 24 8.161 12.804 -4.254 732 HG2 LYS 24 1HG LYS 24 6.419 11.483 -5.358 733 HG3 LYS 24 2HG LYS 24 5.814 12.957 -6.136 734 HD2 LYS 24 1HD LYS 24 8.704 12.363 -6.474 735 HD3 LYS 24 2HD LYS 24 7.560 11.298 -7.310 736 HE2 LYS 24 1HE LYS 24 6.520 13.207 -8.408 737 HE3 LYS 24 2HE LYS 24 7.579 14.309 -7.515 738 HZ1 LYS 24 3HZ LYS 24 9.460 12.973 -8.617 739 HZ2 LYS 24 1HZ LYS 24 8.622 14.108 -9.549 740 HZ3 LYS 24 2HZ LYS 24 8.270 12.461 -9.704 741 H LEU 25 H LEU 25 4.110 12.791 -4.494 742 HA LEU 25 HA LEU 25 3.260 15.372 -5.409 743 HG LEU 25 HG LEU 25 3.178 13.845 -7.649 744 HB2 LEU 25 1HB LEU 25 2.428 12.597 -5.705 745 HB3 LEU 25 2HB LEU 25 1.054 13.700 -5.510 746 HD11 LEU 25 1HD1 LEU 25 1.510 12.045 -7.917 747 HD12 LEU 25 2HD1 LEU 25 1.394 13.281 -9.169 748 HD13 LEU 25 3HD1 LEU 25 0.229 13.254 -7.845 749 HD21 LEU 25 3HD2 LEU 25 0.859 15.656 -7.012 750 HD22 LEU 25 1HD2 LEU 25 1.676 15.634 -8.575 751 HD23 LEU 25 2HD2 LEU 25 2.569 16.079 -7.121 752 H LEU 26 H LEU 26 2.344 13.192 -2.781 753 HA LEU 26 HA LEU 26 0.086 14.446 -1.825 754 HG LEU 26 HG LEU 26 -0.104 11.972 -1.514 755 HB2 LEU 26 1HB LEU 26 2.216 12.760 -0.666 756 HB3 LEU 26 2HB LEU 26 1.278 13.719 0.491 757 HD11 LEU 26 1HD1 LEU 26 0.816 11.069 1.207 758 HD12 LEU 26 2HD1 LEU 26 1.605 10.622 -0.305 759 HD13 LEU 26 3HD1 LEU 26 -0.059 10.126 0.001 760 HD21 LEU 26 3HD2 LEU 26 -1.266 13.724 -0.067 761 HD22 LEU 26 1HD2 LEU 26 -0.914 12.660 1.295 762 HD23 LEU 26 2HD2 LEU 26 -1.919 12.086 -0.035 763 H GLU 27 H GLU 27 3.470 15.165 -0.992 764 HA GLU 27 HA GLU 27 2.609 17.570 0.427 765 HE2 GLU 27 HE2 GLU 27 1.876 15.031 3.676 766 HB2 GLU 27 1HB GLU 27 5.441 16.575 0.113 767 HB3 GLU 27 2HB GLU 27 4.797 17.673 1.343 768 HG2 GLU 27 1HG GLU 27 4.184 14.730 1.077 769 HG3 GLU 27 2HG GLU 27 5.225 15.490 2.290 770 H GLY 28 H GLY 28 2.852 16.989 -2.640 771 HA2 GLY 28 1HA GLY 28 4.812 18.678 -3.713 772 HA3 GLY 28 2HA GLY 28 3.312 18.233 -4.512 773 H GLY 29 H GLY 29 2.017 19.486 -1.949 774 HA2 GLY 29 1HA GLY 29 2.217 21.981 -1.356 775 HA3 GLY 29 2HA GLY 29 1.977 22.203 -3.083 776 H GLY 30 H GLY 30 0.419 19.976 -0.788 777 HA2 GLY 30 1HA GLY 30 -2.125 21.376 -1.280 778 HA3 GLY 30 2HA GLY 30 -2.021 19.638 -1.526 779 H GLY 31 H GLY 31 -0.626 21.661 1.041 780 HA2 GLY 31 1HA GLY 31 -2.304 21.499 3.097 781 HA3 GLY 31 2HA GLY 31 -1.743 19.835 3.019 782 H GLY 32 H GLY 32 -0.348 23.123 2.951 783 HA2 GLY 32 1HA GLY 32 1.489 23.997 4.015 784 HA3 GLY 32 2HA GLY 32 1.111 22.876 5.314 785 H GLY 33 H GLY 33 2.397 21.137 5.643 786 HA2 GLY 33 1HA GLY 33 3.972 19.858 3.707 787 HA3 GLY 33 2HA GLY 33 4.963 21.082 4.488 788 H GLY 34 H GLY 34 6.275 20.106 5.884 789 HA2 GLY 34 1HA GLY 34 6.768 19.086 7.928 790 HA3 GLY 34 2HA GLY 34 5.109 18.512 8.016 791 H GLY 35 H GLY 35 8.166 17.466 7.849 792 HA2 GLY 35 1HA GLY 35 8.032 15.459 5.830 793 HA3 GLY 35 2HA GLY 35 9.202 15.537 7.140 794 H GLU 36 H GLU 36 7.489 15.412 9.336 795 HA GLU 36 HA GLU 36 7.198 12.694 9.725 796 HE2 GLU 36 HE2 GLU 36 4.099 14.494 14.537 797 HB2 GLU 36 1HB GLU 36 7.229 14.162 11.609 798 HB3 GLU 36 2HB GLU 36 5.782 15.009 11.042 799 HG2 GLU 36 1HG GLU 36 4.424 13.035 11.435 800 HG3 GLU 36 2HG GLU 36 5.862 12.139 11.943 801 H LEU 37 H LEU 37 4.923 14.995 8.371 802 HA LEU 37 HA LEU 37 2.611 13.408 8.448 803 HG LEU 37 HG LEU 37 1.890 14.375 5.311 804 HB2 LEU 37 1HB LEU 37 2.347 15.706 7.989 805 HB3 LEU 37 2HB LEU 37 3.501 15.639 6.647 806 HD11 LEU 37 1HD1 LEU 37 0.529 14.183 7.880 807 HD12 LEU 37 2HD1 LEU 37 0.387 13.173 6.440 808 HD13 LEU 37 3HD1 LEU 37 -0.534 14.673 6.560 809 HD21 LEU 37 3HD2 LEU 37 1.626 16.567 4.769 810 HD22 LEU 37 1HD2 LEU 37 1.261 17.051 6.424 811 HD23 LEU 37 2HD2 LEU 37 0.025 16.264 5.443 812 H MET 38 H MET 38 5.221 13.627 6.083 813 HA MET 38 HA MET 38 3.988 11.896 4.179 814 HB2 MET 38 1HB MET 38 5.735 13.575 3.611 815 HB3 MET 38 2HB MET 38 6.915 12.585 4.481 816 HG2 MET 38 1HG MET 38 5.810 10.762 2.760 817 HG3 MET 38 2HG MET 38 5.794 12.249 1.808 818 HE1 MET 38 3HE MET 38 8.812 9.616 3.431 819 HE2 MET 38 1HE MET 38 9.405 11.103 4.173 820 HE3 MET 38 2HE MET 38 7.743 10.583 4.449 821 H LYS 39 H LYS 39 5.940 11.433 7.008 822 HA LYS 39 HA LYS 39 7.022 8.916 6.532 823 HB2 LYS 39 1HB LYS 39 7.473 10.445 8.494 824 HB3 LYS 39 2HB LYS 39 5.958 9.856 9.196 825 HG2 LYS 39 1HG LYS 39 6.854 7.551 9.138 826 HG3 LYS 39 2HG LYS 39 8.390 8.206 8.545 827 HD2 LYS 39 1HD LYS 39 7.355 9.512 10.974 828 HD3 LYS 39 2HD LYS 39 7.792 7.806 11.168 829 HE2 LYS 39 1HE LYS 39 9.720 9.520 9.691 830 HE3 LYS 39 2HE LYS 39 9.556 9.803 11.431 831 HZ1 LYS 39 3HZ LYS 39 9.745 7.159 11.407 832 HZ2 LYS 39 1HZ LYS 39 11.093 8.178 11.518 833 HZ3 LYS 39 2HZ LYS 39 10.659 7.510 10.026 834 H LEU 40 H LEU 40 3.760 9.854 7.276 835 HA LEU 40 HA LEU 40 2.747 7.424 8.223 836 HG LEU 40 HG LEU 40 1.302 9.218 9.574 837 HB2 LEU 40 1HB LEU 40 1.716 9.950 7.302 838 HB3 LEU 40 2HB LEU 40 0.733 8.616 6.673 839 HD11 LEU 40 1HD1 LEU 40 -0.342 10.708 9.050 840 HD12 LEU 40 2HD1 LEU 40 -1.330 9.292 9.411 841 HD13 LEU 40 3HD1 LEU 40 -0.978 9.718 7.735 842 HD21 LEU 40 3HD2 LEU 40 -0.760 7.309 9.239 843 HD22 LEU 40 1HD2 LEU 40 0.800 7.109 10.036 844 HD23 LEU 40 2HD2 LEU 40 0.638 6.753 8.317 845 H CYS 41 H CYS 41 2.543 8.735 4.909 846 HA CYS 41 HA CYS 41 1.612 6.294 3.796 847 HG CYS 41 HG CYS 41 4.424 8.283 1.558 848 HB2 CYS 41 1HB CYS 41 1.818 7.344 1.669 849 HB3 CYS 41 2HB CYS 41 1.254 8.578 2.809 850 H GLU 42 H GLU 42 4.742 7.538 4.540 851 HA GLU 42 HA GLU 42 6.363 6.200 2.730 852 HE2 GLU 42 HE2 GLU 42 11.285 8.038 5.130 853 HB2 GLU 42 1HB GLU 42 7.021 7.906 4.510 854 HB3 GLU 42 2HB GLU 42 7.064 6.544 5.640 855 HG2 GLU 42 1HG GLU 42 8.744 5.434 4.218 856 HG3 GLU 42 2HG GLU 42 8.737 6.851 3.158 857 H GLU 43 H GLU 43 4.534 4.968 5.394 858 HA GLU 43 HA GLU 43 5.884 2.631 6.016 859 HE2 GLU 43 HE2 GLU 43 5.244 3.025 10.421 860 HB2 GLU 43 1HB GLU 43 2.881 2.972 5.841 861 HB3 GLU 43 2HB GLU 43 3.751 1.758 6.792 862 HG2 GLU 43 1HG GLU 43 4.573 4.492 7.401 863 HG3 GLU 43 2HG GLU 43 2.858 4.182 7.708 864 H ALA 44 H ALA 44 3.800 3.358 3.288 865 HA ALA 44 HA ALA 44 3.263 0.839 2.302 866 HB1 ALA 44 3HB ALA 44 3.646 3.500 1.010 867 HB2 ALA 44 1HB ALA 44 3.460 2.065 0.001 868 HB3 ALA 44 2HB ALA 44 2.192 2.510 1.143 869 H ALA 45 H ALA 45 6.186 2.790 1.880 870 HA ALA 45 HA ALA 45 7.456 0.902 0.141 871 HB1 ALA 45 3HB ALA 45 8.503 2.836 -0.276 872 HB2 ALA 45 1HB ALA 45 8.096 3.507 1.304 873 HB3 ALA 45 2HB ALA 45 9.489 2.438 1.131 874 H LYS 46 H LYS 46 7.163 1.284 3.557 875 HA LYS 46 HA LYS 46 9.479 -0.275 4.240 876 HB2 LYS 46 1HB LYS 46 7.587 1.360 5.610 877 HB3 LYS 46 2HB LYS 46 7.588 -0.239 6.373 878 HG2 LYS 46 1HG LYS 46 10.273 0.773 5.822 879 HG3 LYS 46 2HG LYS 46 9.334 1.796 6.924 880 HD2 LYS 46 1HD LYS 46 9.052 0.076 8.492 881 HD3 LYS 46 2HD LYS 46 9.479 -1.177 7.313 882 HE2 LYS 46 1HE LYS 46 11.791 0.016 7.237 883 HE3 LYS 46 2HE LYS 46 11.269 0.730 8.770 884 HZ1 LYS 46 3HZ LYS 46 11.707 -2.127 8.148 885 HZ2 LYS 46 1HZ LYS 46 10.814 -1.637 9.499 886 HZ3 LYS 46 2HZ LYS 46 12.438 -1.190 9.351 887 H LYS 47 H LYS 47 5.966 -0.841 4.304 888 HA LYS 47 HA LYS 47 5.993 -3.467 5.209 889 HB2 LYS 47 1HB LYS 47 4.113 -1.779 3.650 890 HB3 LYS 47 2HB LYS 47 3.854 -3.529 3.578 891 HG2 LYS 47 1HG LYS 47 2.495 -2.538 5.326 892 HG3 LYS 47 2HG LYS 47 3.721 -3.616 6.017 893 HD2 LYS 47 1HD LYS 47 4.649 -0.856 5.750 894 HD3 LYS 47 2HD LYS 47 3.231 -1.023 6.800 895 HE2 LYS 47 1HE LYS 47 5.716 -2.724 7.070 896 HE3 LYS 47 2HE LYS 47 5.454 -1.217 7.958 897 HZ1 LYS 47 3HZ LYS 47 3.213 -2.430 8.569 898 HZ2 LYS 47 1HZ LYS 47 4.631 -2.687 9.455 899 HZ3 LYS 47 2HZ LYS 47 4.150 -3.810 8.285 900 H ALA 48 H ALA 48 5.869 -2.342 1.826 901 HA ALA 48 HA ALA 48 5.984 -4.789 0.556 902 HB1 ALA 48 3HB ALA 48 6.532 -2.023 -0.164 903 HB2 ALA 48 1HB ALA 48 7.498 -3.179 -1.081 904 HB3 ALA 48 2HB ALA 48 5.739 -3.300 -1.087 905 H GLU 49 H GLU 49 8.605 -2.892 1.946 906 HA GLU 49 HA GLU 49 10.749 -4.376 0.881 907 HE2 GLU 49 HE2 GLU 49 13.431 -0.129 1.877 908 HB2 GLU 49 1HB GLU 49 10.798 -2.096 2.049 909 HB3 GLU 49 2HB GLU 49 10.799 -3.011 3.564 910 HG2 GLU 49 1HG GLU 49 12.977 -3.377 3.428 911 HG3 GLU 49 2HG GLU 49 12.802 -4.053 1.802 912 H GLU 50 H GLU 50 8.964 -4.671 3.932 913 HA GLU 50 HA GLU 50 10.505 -6.893 4.859 914 HE2 GLU 50 HE2 GLU 50 10.572 -8.040 9.094 915 HB2 GLU 50 1HB GLU 50 8.076 -5.426 5.760 916 HB3 GLU 50 2HB GLU 50 8.305 -7.074 6.366 917 HG2 GLU 50 1HG GLU 50 10.483 -5.013 6.548 918 HG3 GLU 50 2HG GLU 50 9.210 -5.146 7.771 919 H LEU 51 H LEU 51 7.682 -6.499 2.881 920 HA LEU 51 HA LEU 51 6.702 -9.167 3.145 921 HG LEU 51 HG LEU 51 5.302 -6.763 3.471 922 HB2 LEU 51 1HB LEU 51 6.237 -7.061 1.027 923 HB3 LEU 51 2HB LEU 51 5.371 -8.604 1.122 924 HD11 LEU 51 1HD1 LEU 51 4.296 -5.126 2.368 925 HD12 LEU 51 2HD1 LEU 51 3.027 -6.251 1.888 926 HD13 LEU 51 3HD1 LEU 51 4.437 -6.019 0.854 927 HD21 LEU 51 3HD2 LEU 51 4.351 -9.065 3.524 928 HD22 LEU 51 1HD2 LEU 51 3.218 -8.575 2.265 929 HD23 LEU 51 2HD2 LEU 51 3.173 -7.792 3.845 930 H PHE 52 H PHE 52 8.513 -7.489 0.575 931 HA PHE 52 HA PHE 52 8.833 -9.629 -1.157 932 HD1 PHE 52 HD2 PHE 52 9.839 -8.933 -3.786 933 HD2 PHE 52 HD1 PHE 52 12.833 -8.163 -0.861 934 HE1 PHE 52 HE2 PHE 52 11.556 -9.796 -5.321 935 HE2 PHE 52 HE1 PHE 52 14.555 -9.025 -2.391 936 HZ PHE 52 HZ PHE 52 13.918 -9.844 -4.625 937 HB2 PHE 52 1HB PHE 52 9.428 -7.415 -1.864 938 HB3 PHE 52 2HB PHE 52 10.648 -7.282 -0.596 939 H LYS 53 H LYS 53 10.585 -8.825 1.767 940 HA LYS 53 HA LYS 53 12.838 -10.404 1.519 941 HB2 LYS 53 1HB LYS 53 11.189 -9.472 3.829 942 HB3 LYS 53 2HB LYS 53 12.436 -10.695 4.125 943 HG2 LYS 53 1HG LYS 53 12.919 -8.004 2.841 944 HG3 LYS 53 2HG LYS 53 13.228 -8.406 4.539 945 HD2 LYS 53 1HD LYS 53 14.462 -10.373 2.840 946 HD3 LYS 53 2HD LYS 53 14.958 -8.745 2.346 947 HE2 LYS 53 1HE LYS 53 15.002 -9.579 5.240 948 HE3 LYS 53 2HE LYS 53 16.345 -9.947 4.148 949 HZ1 LYS 53 3HZ LYS 53 17.103 -7.908 4.470 950 HZ2 LYS 53 1HZ LYS 53 15.788 -7.537 5.469 951 HZ3 LYS 53 2HZ LYS 53 15.691 -7.257 3.804 952 H LEU 54 H LEU 54 9.796 -11.366 3.120 953 HA LEU 54 HA LEU 54 10.565 -14.123 3.209 954 HG LEU 54 HG LEU 54 8.315 -13.574 6.097 955 HB2 LEU 54 1HB LEU 54 8.120 -12.554 3.918 956 HB3 LEU 54 2HB LEU 54 8.009 -14.317 3.772 957 HD11 LEU 54 1HD1 LEU 54 9.362 -15.491 6.484 958 HD12 LEU 54 2HD1 LEU 54 10.868 -14.876 5.802 959 HD13 LEU 54 3HD1 LEU 54 9.658 -15.609 4.749 960 HD21 LEU 54 3HD2 LEU 54 10.465 -12.648 6.801 961 HD22 LEU 54 1HD2 LEU 54 9.643 -11.573 5.670 962 HD23 LEU 54 2HD2 LEU 54 10.988 -12.572 5.118 963 H ALA 55 H ALA 55 8.881 -12.101 0.968 964 HA ALA 55 HA ALA 55 7.295 -13.908 -0.408 965 HB1 ALA 55 3HB ALA 55 7.209 -12.357 -2.141 966 HB2 ALA 55 1HB ALA 55 7.567 -11.368 -0.725 967 HB3 ALA 55 2HB ALA 55 8.856 -11.796 -1.852 968 H GLU 56 H GLU 56 10.764 -13.321 -0.664 969 HA GLU 56 HA GLU 56 11.350 -14.719 -2.977 970 HE2 GLU 56 HE2 GLU 56 15.740 -11.214 -0.890 971 HB2 GLU 56 1HB GLU 56 13.088 -14.855 -0.516 972 HB3 GLU 56 2HB GLU 56 13.586 -14.845 -2.215 973 HG2 GLU 56 1HG GLU 56 12.615 -12.497 -2.338 974 HG3 GLU 56 2HG GLU 56 12.553 -12.559 -0.571 975 H GLU 57 H GLU 57 10.504 -15.921 0.181 976 HA GLU 57 HA GLU 57 11.402 -18.591 -0.206 977 HE2 GLU 57 HE2 GLU 57 7.666 -21.442 1.671 978 HB2 GLU 57 1HB GLU 57 10.904 -17.477 2.009 979 HB3 GLU 57 2HB GLU 57 9.187 -17.688 1.635 980 HG2 GLU 57 1HG GLU 57 10.809 -20.128 1.388 981 HG3 GLU 57 2HG GLU 57 10.692 -19.459 3.022 982 H ARG 58 H ARG 58 8.222 -17.033 -0.500 983 HA ARG 58 HA ARG 58 6.959 -19.435 -1.441 984 HE ARG 58 HE ARG 58 4.252 -15.561 -0.557 985 HB2 ARG 58 1HB ARG 58 5.892 -16.616 -1.655 986 HB3 ARG 58 2HB ARG 58 4.971 -18.127 -1.631 987 HG2 ARG 58 1HG ARG 58 4.696 -17.876 0.552 988 HG3 ARG 58 2HG ARG 58 6.441 -18.112 0.747 989 HD2 ARG 58 1HD ARG 58 5.760 -16.043 1.827 990 HD3 ARG 58 2HD ARG 58 6.794 -15.701 0.432 991 HH11 ARG 58 1HH1 ARG 58 5.979 -14.014 2.040 992 HH12 ARG 58 2HH1 ARG 58 5.066 -12.544 1.945 993 HH21 ARG 58 1HH2 ARG 58 3.044 -13.631 -0.691 994 HH22 ARG 58 2HH2 ARG 58 3.396 -12.328 0.392 995 H LEU 59 H LEU 59 8.886 -17.053 -2.860 996 HA LEU 59 HA LEU 59 7.731 -17.400 -5.521 997 HG LEU 59 HG LEU 59 7.513 -15.028 -3.972 998 HB2 LEU 59 1HB LEU 59 10.001 -15.658 -4.545 999 HB3 LEU 59 2HB LEU 59 9.380 -15.697 -6.205 1000 HD11 LEU 59 1HD1 LEU 59 9.260 -12.968 -5.292 1001 HD12 LEU 59 2HD1 LEU 59 9.627 -13.670 -3.717 1002 HD13 LEU 59 3HD1 LEU 59 8.138 -12.752 -3.947 1003 HD21 LEU 59 3HD2 LEU 59 7.591 -13.669 -6.610 1004 HD22 LEU 59 1HD2 LEU 59 6.213 -14.134 -5.613 1005 HD23 LEU 59 2HD2 LEU 59 7.064 -15.352 -6.564 1006 H LYS 60 H LYS 60 11.009 -17.512 -4.110 1007 HA LYS 60 HA LYS 60 11.630 -19.696 -5.991 1008 HB2 LYS 60 1HB LYS 60 14.015 -18.902 -5.830 1009 HB3 LYS 60 2HB LYS 60 12.909 -17.800 -6.663 1010 HG2 LYS 60 1HG LYS 60 14.159 -16.376 -5.330 1011 HG3 LYS 60 2HG LYS 60 12.683 -16.633 -4.383 1012 HD2 LYS 60 1HD LYS 60 13.797 -17.616 -2.707 1013 HD3 LYS 60 2HD LYS 60 14.722 -18.632 -3.825 1014 HE2 LYS 60 1HE LYS 60 15.324 -15.719 -3.259 1015 HE3 LYS 60 2HE LYS 60 16.129 -17.088 -2.477 1016 HZ1 LYS 60 3HZ LYS 60 16.466 -16.036 -5.156 1017 HZ2 LYS 60 1HZ LYS 60 16.441 -17.724 -5.047 1018 HZ3 LYS 60 2HZ LYS 60 17.573 -16.836 -4.158 1019 H LYS 61 H LYS 61 13.906 -20.684 -5.082 1020 HA LYS 61 HA LYS 61 13.262 -21.554 -2.344 1021 HB2 LYS 61 1HB LYS 61 14.690 -23.565 -2.941 1022 HB3 LYS 61 2HB LYS 61 13.143 -23.426 -3.790 1023 HG2 LYS 61 1HG LYS 61 14.106 -23.195 -5.805 1024 HG3 LYS 61 2HG LYS 61 15.405 -22.170 -5.169 1025 HD2 LYS 61 1HD LYS 61 16.813 -23.903 -4.871 1026 HD3 LYS 61 2HD LYS 61 15.523 -24.964 -4.279 1027 HE2 LYS 61 1HE LYS 61 15.011 -25.759 -6.362 1028 HE3 LYS 61 2HE LYS 61 15.478 -24.248 -7.157 1029 HZ1 LYS 61 3HZ LYS 61 17.576 -25.863 -5.896 1030 HZ2 LYS 61 1HZ LYS 61 17.660 -24.859 -7.255 1031 HZ3 LYS 61 2HZ LYS 61 16.941 -26.384 -7.375 1032 H LEU 62 H LEU 62 14.394 -19.930 -1.263 1033 HA LEU 62 HA LEU 62 16.934 -18.988 -1.769 1034 HG LEU 62 HG LEU 62 14.472 -18.006 -0.880 1035 HB2 LEU 62 1HB LEU 62 15.866 -19.508 1.004 1036 HB3 LEU 62 2HB LEU 62 17.014 -18.259 0.493 1037 HD11 LEU 62 1HD1 LEU 62 13.466 -18.936 1.069 1038 HD12 LEU 62 2HD1 LEU 62 13.249 -17.188 1.144 1039 HD13 LEU 62 3HD1 LEU 62 14.486 -17.966 2.131 1040 HD21 LEU 62 3HD2 LEU 62 16.546 -16.397 -0.280 1041 HD22 LEU 62 1HD2 LEU 62 15.428 -15.956 1.011 1042 HD23 LEU 62 2HD2 LEU 62 14.930 -15.806 -0.675 1043 HC1 HLT 101 HC1 HLT 101 -1.110 1.771 -1.881 Start of MODEL 3 1 HA MET 1 HA MET 1 -16.127 17.850 -1.555 2 H1 MET 1 1H MET 1 -16.593 19.427 0.806 3 HB2 MET 1 1HB MET 1 -18.285 19.144 -0.752 4 HB3 MET 1 2HB MET 1 -17.541 20.480 -1.643 5 HG2 MET 1 1HG MET 1 -18.553 19.672 -3.452 6 HG3 MET 1 2HG MET 1 -17.340 18.389 -3.408 7 HE1 MET 1 3HE MET 1 -17.894 16.007 -3.399 8 HE2 MET 1 1HE MET 1 -19.561 15.468 -3.599 9 HE3 MET 1 2HE MET 1 -18.882 16.664 -4.703 10 H LYS 2 H LYS 2 -14.049 18.080 -2.259 11 HA LYS 2 HA LYS 2 -13.406 20.570 -3.578 12 HB2 LYS 2 1HB LYS 2 -12.152 19.758 -1.047 13 HB3 LYS 2 2HB LYS 2 -10.997 20.132 -2.337 14 HG2 LYS 2 1HG LYS 2 -13.216 21.980 -1.459 15 HG3 LYS 2 2HG LYS 2 -11.543 22.063 -0.880 16 HD2 LYS 2 1HD LYS 2 -10.806 23.049 -2.761 17 HD3 LYS 2 2HD LYS 2 -11.770 21.981 -3.795 18 HE2 LYS 2 1HE LYS 2 -13.350 23.920 -2.240 19 HE3 LYS 2 2HE LYS 2 -12.246 24.638 -3.423 20 HZ1 LYS 2 3HZ LYS 2 -14.064 24.288 -4.724 21 HZ2 LYS 2 1HZ LYS 2 -14.576 22.922 -3.866 22 HZ3 LYS 2 2HZ LYS 2 -13.289 22.802 -4.956 23 H LYS 3 H LYS 3 -10.997 20.278 -4.490 24 HA LYS 3 HA LYS 3 -10.770 17.523 -5.507 25 HB2 LYS 3 1HB LYS 3 -10.602 20.121 -7.040 26 HB3 LYS 3 2HB LYS 3 -9.979 18.590 -7.676 27 HG2 LYS 3 1HG LYS 3 -11.994 18.186 -8.504 28 HG3 LYS 3 2HG LYS 3 -12.577 18.020 -6.838 29 HD2 LYS 3 1HD LYS 3 -13.984 19.685 -7.442 30 HD3 LYS 3 2HD LYS 3 -12.584 20.707 -7.071 31 HE2 LYS 3 1HE LYS 3 -12.993 21.508 -9.157 32 HE3 LYS 3 2HE LYS 3 -12.003 20.114 -9.613 33 HZ1 LYS 3 3HZ LYS 3 -14.729 19.367 -9.326 34 HZ2 LYS 3 1HZ LYS 3 -13.712 19.210 -10.670 35 HZ3 LYS 3 2HZ LYS 3 -14.576 20.644 -10.426 36 H LEU 4 H LEU 4 -9.079 20.631 -5.138 37 HA LEU 4 HA LEU 4 -6.492 19.804 -5.631 38 HG LEU 4 HG LEU 4 -6.420 23.476 -5.305 39 HB2 LEU 4 1HB LEU 4 -7.724 21.952 -3.978 40 HB3 LEU 4 2HB LEU 4 -6.001 21.609 -3.746 41 HD11 LEU 4 1HD1 LEU 4 -4.458 22.905 -6.157 42 HD12 LEU 4 2HD1 LEU 4 -5.259 21.789 -7.263 43 HD13 LEU 4 3HD1 LEU 4 -4.727 21.229 -5.677 44 HD21 LEU 4 3HD2 LEU 4 -7.375 23.085 -7.477 45 HD22 LEU 4 1HD2 LEU 4 -8.530 22.575 -6.245 46 HD23 LEU 4 2HD2 LEU 4 -7.585 21.370 -7.121 47 H ARG 5 H ARG 5 -7.808 20.254 -2.345 48 HA ARG 5 HA ARG 5 -5.761 18.731 -1.118 49 HE ARG 5 HE ARG 5 -8.875 22.021 -1.012 50 HB2 ARG 5 1HB ARG 5 -7.196 18.837 0.905 51 HB3 ARG 5 2HB ARG 5 -6.935 20.416 0.147 52 HG2 ARG 5 1HG ARG 5 -9.210 19.778 -1.082 53 HG3 ARG 5 2HG ARG 5 -9.416 18.820 0.394 54 HD2 ARG 5 1HD ARG 5 -10.368 20.816 1.042 55 HD3 ARG 5 2HD ARG 5 -8.700 21.029 1.590 56 HH11 ARG 5 1HH1 ARG 5 -10.104 22.730 2.167 57 HH12 ARG 5 2HH1 ARG 5 -10.246 24.432 1.874 58 HH21 ARG 5 1HH2 ARG 5 -9.056 24.261 -1.409 59 HH22 ARG 5 2HH2 ARG 5 -9.650 25.301 -0.160 60 H GLU 6 H GLU 6 -9.003 17.961 -2.248 61 HA GLU 6 HA GLU 6 -9.385 15.491 -1.053 62 HE2 GLU 6 HE2 GLU 6 -10.451 13.326 -5.456 63 HB2 GLU 6 1HB GLU 6 -10.987 16.848 -2.520 64 HB3 GLU 6 2HB GLU 6 -10.192 16.068 -3.896 65 HG2 GLU 6 1HG GLU 6 -11.015 14.164 -1.851 66 HG3 GLU 6 2HG GLU 6 -12.361 15.102 -2.513 67 H GLU 7 H GLU 7 -7.282 16.390 -3.666 68 HA GLU 7 HA GLU 7 -6.860 13.932 -4.897 69 HE2 GLU 7 HE2 GLU 7 -5.458 15.063 -9.300 70 HB2 GLU 7 1HB GLU 7 -5.014 16.280 -4.449 71 HB3 GLU 7 2HB GLU 7 -4.558 14.873 -5.424 72 HG2 GLU 7 1HG GLU 7 -7.082 15.705 -6.362 73 HG3 GLU 7 2HG GLU 7 -6.096 17.162 -6.167 74 H ALA 8 H ALA 8 -4.969 15.404 -2.257 75 HA ALA 8 HA ALA 8 -3.206 13.323 -1.798 76 HB1 ALA 8 3HB ALA 8 -2.570 15.074 -0.530 77 HB2 ALA 8 1HB ALA 8 -4.228 15.592 -0.225 78 HB3 ALA 8 2HB ALA 8 -3.531 14.267 0.709 79 H ALA 9 H ALA 9 -6.566 13.599 -0.937 80 HA ALA 9 HA ALA 9 -6.574 11.491 0.996 81 HB1 ALA 9 3HB ALA 9 -8.430 12.682 1.406 82 HB2 ALA 9 1HB ALA 9 -8.553 13.254 -0.258 83 HB3 ALA 9 2HB ALA 9 -9.159 11.654 0.173 84 H LYS 10 H LYS 10 -7.344 11.725 -2.450 85 HA LYS 10 HA LYS 10 -8.318 9.105 -2.778 86 HB2 LYS 10 1HB LYS 10 -6.845 10.691 -4.885 87 HB3 LYS 10 2HB LYS 10 -8.104 9.469 -5.124 88 HG2 LYS 10 1HG LYS 10 -9.417 11.293 -3.580 89 HG3 LYS 10 2HG LYS 10 -8.343 12.326 -4.541 90 HD2 LYS 10 1HD LYS 10 -9.876 12.198 -6.165 91 HD3 LYS 10 2HD LYS 10 -9.324 10.528 -6.396 92 HE2 LYS 10 1HE LYS 10 -11.339 11.044 -4.256 93 HE3 LYS 10 2HE LYS 10 -11.871 11.117 -5.943 94 HZ1 LYS 10 3HZ LYS 10 -11.323 8.899 -6.299 95 HZ2 LYS 10 1HZ LYS 10 -12.007 8.887 -4.751 96 HZ3 LYS 10 2HZ LYS 10 -10.327 8.810 -4.934 97 H LEU 11 H LEU 11 -5.073 10.436 -2.787 98 HA LEU 11 HA LEU 11 -3.635 8.394 -3.958 99 HG LEU 11 HG LEU 11 -3.338 11.575 -3.312 100 HB2 LEU 11 1HB LEU 11 -2.843 10.023 -1.537 101 HB3 LEU 11 2HB LEU 11 -1.742 9.120 -2.591 102 HD11 LEU 11 1HD1 LEU 11 -1.487 12.329 -2.154 103 HD12 LEU 11 2HD1 LEU 11 -0.909 12.328 -3.820 104 HD13 LEU 11 3HD1 LEU 11 -0.460 11.016 -2.730 105 HD21 LEU 11 3HD2 LEU 11 -1.527 9.896 -5.045 106 HD22 LEU 11 1HD2 LEU 11 -2.273 11.428 -5.501 107 HD23 LEU 11 2HD2 LEU 11 -3.281 10.015 -5.192 108 H PHE 12 H PHE 12 -4.737 8.659 -0.601 109 HA PHE 12 HA PHE 12 -3.549 6.188 0.210 110 HD1 PHE 12 HD2 PHE 12 -2.130 6.794 1.503 111 HD2 PHE 12 HD1 PHE 12 -4.963 9.694 2.801 112 HE1 PHE 12 HE2 PHE 12 -0.300 8.186 2.376 113 HE2 PHE 12 HE1 PHE 12 -3.136 11.091 3.675 114 HZ PHE 12 HZ PHE 12 -0.801 10.337 3.464 115 HB2 PHE 12 1HB PHE 12 -5.689 7.905 1.494 116 HB3 PHE 12 2HB PHE 12 -4.956 6.494 2.260 117 H GLU 13 H GLU 13 -6.532 7.106 -1.274 118 HA GLU 13 HA GLU 13 -8.207 5.014 -0.533 119 HE2 GLU 13 HE2 GLU 13 -11.158 8.711 -3.260 120 HB2 GLU 13 1HB GLU 13 -8.339 7.156 -2.283 121 HB3 GLU 13 2HB GLU 13 -8.471 5.746 -3.346 122 HG2 GLU 13 1HG GLU 13 -10.399 4.948 -2.230 123 HG3 GLU 13 2HG GLU 13 -10.180 6.097 -0.904 124 H GLU 14 H GLU 14 -5.763 5.168 -3.081 125 HA GLU 14 HA GLU 14 -6.333 2.664 -4.249 126 HE2 GLU 14 HE2 GLU 14 -3.264 5.936 -8.044 127 HB2 GLU 14 1HB GLU 14 -3.627 4.008 -4.168 128 HB3 GLU 14 2HB GLU 14 -4.241 2.881 -5.389 129 HG2 GLU 14 1HG GLU 14 -6.088 4.740 -5.698 130 HG3 GLU 14 2HG GLU 14 -4.822 5.769 -5.011 131 H TRP 15 H TRP 15 -4.321 3.631 -1.543 132 HA TRP 15 HA TRP 15 -2.899 1.218 -1.232 133 HD1 TRP 15 HD1 TRP 15 -2.001 -0.071 0.259 134 HE1 TRP 15 HE1 TRP 15 -0.208 -0.640 2.015 135 HE3 TRP 15 HE3 TRP 15 -1.623 4.489 2.539 136 HZ2 TRP 15 HZ2 TRP 15 1.182 0.670 4.093 137 HZ3 TRP 15 HZ3 TRP 15 -0.038 4.748 4.404 138 HH2 TRP 15 HH2 TRP 15 1.334 2.876 5.164 139 HB2 TRP 15 1HB TRP 15 -2.427 3.492 -0.154 140 HB3 TRP 15 2HB TRP 15 -3.667 3.065 1.026 141 H LYS 16 H LYS 16 -5.910 2.384 0.246 142 HA LYS 16 HA LYS 16 -6.319 -0.045 1.724 143 HB2 LYS 16 1HB LYS 16 -8.341 0.932 2.499 144 HB3 LYS 16 2HB LYS 16 -7.148 2.239 2.414 145 HG2 LYS 16 1HG LYS 16 -8.095 3.030 0.327 146 HG3 LYS 16 2HG LYS 16 -9.246 1.683 0.327 147 HD2 LYS 16 1HD LYS 16 -9.176 3.437 2.734 148 HD3 LYS 16 2HD LYS 16 -9.890 4.091 1.250 149 HE2 LYS 16 1HE LYS 16 -10.688 1.388 2.315 150 HE3 LYS 16 2HE LYS 16 -11.436 2.879 2.906 151 HZ1 LYS 16 3HZ LYS 16 -12.127 1.455 0.646 152 HZ2 LYS 16 1HZ LYS 16 -11.380 2.861 0.073 153 HZ3 LYS 16 2HZ LYS 16 -12.710 2.973 1.112 154 H LYS 17 H LYS 17 -7.198 1.170 -1.403 155 HA LYS 17 HA LYS 17 -9.330 -0.680 -1.875 156 HB2 LYS 17 1HB LYS 17 -7.814 1.319 -3.487 157 HB3 LYS 17 2HB LYS 17 -8.689 0.048 -4.355 158 HG2 LYS 17 1HG LYS 17 -10.481 1.034 -2.427 159 HG3 LYS 17 2HG LYS 17 -9.694 2.445 -3.155 160 HD2 LYS 17 1HD LYS 17 -11.466 2.127 -4.602 161 HD3 LYS 17 2HD LYS 17 -10.180 1.208 -5.404 162 HE2 LYS 17 1HE LYS 17 -11.796 -0.284 -3.417 163 HE3 LYS 17 2HE LYS 17 -12.631 0.215 -4.895 164 HZ1 LYS 17 3HZ LYS 17 -11.675 -1.456 -5.957 165 HZ2 LYS 17 1HZ LYS 17 -10.864 -1.925 -4.549 166 HZ3 LYS 17 2HZ LYS 17 -10.140 -0.834 -5.617 167 H LEU 18 H LEU 18 -6.065 -0.411 -3.295 168 HA LEU 18 HA LEU 18 -6.054 -2.838 -4.637 169 HG LEU 18 HG LEU 18 -4.878 -0.033 -5.106 170 HB2 LEU 18 1HB LEU 18 -3.747 -1.368 -3.349 171 HB3 LEU 18 2HB LEU 18 -3.585 -2.694 -4.512 172 HD11 LEU 18 1HD1 LEU 18 -2.689 0.591 -4.965 173 HD12 LEU 18 2HD1 LEU 18 -2.723 0.008 -6.629 174 HD13 LEU 18 3HD1 LEU 18 -2.086 -1.023 -5.347 175 HD21 LEU 18 3HD2 LEU 18 -4.670 -2.576 -6.544 176 HD22 LEU 18 1HD2 LEU 18 -4.159 -1.169 -7.477 177 HD23 LEU 18 2HD2 LEU 18 -5.778 -1.223 -6.778 178 H ALA 19 H ALA 19 -5.557 -2.148 -1.259 179 HA ALA 19 HA ALA 19 -4.332 -4.585 -0.519 180 HB1 ALA 19 3HB ALA 19 -4.806 -3.971 1.736 181 HB2 ALA 19 1HB ALA 19 -4.397 -2.496 0.859 182 HB3 ALA 19 2HB ALA 19 -6.082 -2.864 1.227 183 H GLU 20 H GLU 20 -7.631 -3.681 -1.141 184 HA GLU 20 HA GLU 20 -8.833 -5.906 0.187 185 HE2 GLU 20 HE2 GLU 20 -12.848 -1.921 0.695 186 HB2 GLU 20 1HB GLU 20 -10.034 -4.302 -2.073 187 HB3 GLU 20 2HB GLU 20 -10.883 -5.192 -0.800 188 HG2 GLU 20 1HG GLU 20 -9.338 -3.416 0.627 189 HG3 GLU 20 2HG GLU 20 -9.826 -2.485 -0.796 190 H GLU 21 H GLU 21 -8.137 -5.165 -3.222 191 HA GLU 21 HA GLU 21 -9.029 -7.706 -4.164 192 HE2 GLU 21 HE2 GLU 21 -10.367 -6.377 -8.548 193 HB2 GLU 21 1HB GLU 21 -7.190 -5.749 -5.557 194 HB3 GLU 21 2HB GLU 21 -8.159 -7.024 -6.311 195 HG2 GLU 21 1HG GLU 21 -9.842 -5.274 -4.761 196 HG3 GLU 21 2HG GLU 21 -8.870 -4.354 -5.918 197 H ALA 22 H ALA 22 -5.802 -6.264 -3.742 198 HA ALA 22 HA ALA 22 -4.266 -8.420 -4.557 199 HB1 ALA 22 3HB ALA 22 -2.499 -7.472 -3.054 200 HB2 ALA 22 1HB ALA 22 -3.223 -6.316 -4.172 201 HB3 ALA 22 2HB ALA 22 -3.703 -6.319 -2.475 202 H ALA 23 H ALA 23 -5.963 -7.900 -1.550 203 HA ALA 23 HA ALA 23 -4.652 -9.945 -0.063 204 HB1 ALA 23 3HB ALA 23 -5.676 -8.463 1.345 205 HB2 ALA 23 1HB ALA 23 -7.089 -8.279 0.305 206 HB3 ALA 23 2HB ALA 23 -6.902 -9.730 1.292 207 H LYS 24 H LYS 24 -7.865 -9.807 -1.608 208 HA LYS 24 HA LYS 24 -8.521 -12.503 -1.128 209 HB2 LYS 24 1HB LYS 24 -10.232 -12.174 -2.913 210 HB3 LYS 24 2HB LYS 24 -10.258 -10.927 -1.657 211 HG2 LYS 24 1HG LYS 24 -9.024 -9.405 -3.126 212 HG3 LYS 24 2HG LYS 24 -9.013 -10.651 -4.386 213 HD2 LYS 24 1HD LYS 24 -11.652 -9.917 -3.227 214 HD3 LYS 24 2HD LYS 24 -10.864 -8.733 -4.286 215 HE2 LYS 24 1HE LYS 24 -10.724 -11.418 -5.393 216 HE3 LYS 24 2HE LYS 24 -12.391 -10.917 -5.076 217 HZ1 LYS 24 3HZ LYS 24 -11.709 -10.283 -7.294 218 HZ2 LYS 24 1HZ LYS 24 -10.404 -9.400 -6.678 219 HZ3 LYS 24 2HZ LYS 24 -11.988 -8.900 -6.360 220 H LEU 25 H LEU 25 -6.783 -10.916 -3.728 221 HA LEU 25 HA LEU 25 -6.738 -13.221 -5.436 222 HG LEU 25 HG LEU 25 -7.543 -11.133 -7.002 223 HB2 LEU 25 1HB LEU 25 -5.752 -10.464 -5.494 224 HB3 LEU 25 2HB LEU 25 -4.660 -11.630 -6.261 225 HD11 LEU 25 1HD1 LEU 25 -5.114 -10.660 -8.696 226 HD12 LEU 25 2HD1 LEU 25 -5.751 -9.419 -7.620 227 HD13 LEU 25 3HD1 LEU 25 -6.756 -10.057 -8.921 228 HD21 LEU 25 3HD2 LEU 25 -7.544 -13.049 -8.124 229 HD22 LEU 25 1HD2 LEU 25 -6.024 -13.460 -7.330 230 HD23 LEU 25 2HD2 LEU 25 -6.009 -12.655 -8.899 231 H LEU 26 H LEU 26 -4.533 -11.748 -3.109 232 HA LEU 26 HA LEU 26 -2.220 -13.159 -3.587 233 HG LEU 26 HG LEU 26 -1.731 -10.707 -2.677 234 HB2 LEU 26 1HB LEU 26 -3.444 -11.829 -1.263 235 HB3 LEU 26 2HB LEU 26 -2.238 -13.068 -0.868 236 HD11 LEU 26 1HD1 LEU 26 -0.610 -11.026 0.076 237 HD12 LEU 26 2HD1 LEU 26 -2.196 -10.294 -0.163 238 HD13 LEU 26 3HD1 LEU 26 -0.772 -9.570 -0.907 239 HD21 LEU 26 3HD2 LEU 26 0.603 -11.336 -2.458 240 HD22 LEU 26 1HD2 LEU 26 -0.333 -12.676 -3.122 241 HD23 LEU 26 2HD2 LEU 26 0.159 -12.698 -1.428 242 H GLU 27 H GLU 27 -4.913 -14.122 -1.464 243 HA GLU 27 HA GLU 27 -3.760 -16.779 -1.167 244 HE2 GLU 27 HE2 GLU 27 -2.370 -16.945 2.666 245 HB2 GLU 27 1HB GLU 27 -6.378 -15.781 -0.039 246 HB3 GLU 27 2HB GLU 27 -5.413 -17.159 0.511 247 HG2 GLU 27 1HG GLU 27 -4.515 -14.283 0.666 248 HG3 GLU 27 2HG GLU 27 -5.275 -15.178 1.991 249 H GLY 28 H GLY 28 -5.202 -15.494 -3.635 250 HA2 GLY 28 1HA GLY 28 -7.547 -16.934 -4.147 251 HA3 GLY 28 2HA GLY 28 -6.477 -16.275 -5.375 252 H GLY 29 H GLY 29 -4.342 -18.062 -3.938 253 HA2 GLY 29 1HA GLY 29 -4.452 -20.626 -3.888 254 HA3 GLY 29 2HA GLY 29 -4.988 -20.440 -5.552 255 H GLY 30 H GLY 30 -2.443 -18.735 -3.745 256 HA2 GLY 30 1HA GLY 30 -0.595 -19.340 -5.936 257 HA3 GLY 30 2HA GLY 30 -0.361 -18.122 -4.692 258 H GLY 31 H GLY 31 0.047 -18.939 -2.469 259 HA2 GLY 31 1HA GLY 31 0.756 -21.579 -1.891 260 HA3 GLY 31 2HA GLY 31 2.200 -20.768 -2.484 261 H GLY 32 H GLY 32 0.816 -21.707 0.250 262 HA2 GLY 32 1HA GLY 32 2.344 -19.908 1.861 263 HA3 GLY 32 2HA GLY 32 0.621 -19.576 1.981 264 H GLY 33 H GLY 33 0.613 -20.143 4.187 265 HA2 GLY 33 1HA GLY 33 -0.094 -22.805 4.736 266 HA3 GLY 33 2HA GLY 33 1.578 -22.569 5.225 267 H GLY 34 H GLY 34 1.385 -19.890 6.101 268 HA2 GLY 34 1HA GLY 34 -0.282 -20.280 8.507 269 HA3 GLY 34 2HA GLY 34 1.238 -19.398 8.486 270 H GLY 35 H GLY 35 -1.371 -18.500 9.418 271 HA2 GLY 35 1HA GLY 35 -2.608 -16.782 7.557 272 HA3 GLY 35 2HA GLY 35 -2.713 -16.641 9.306 273 H GLU 36 H GLU 36 0.277 -16.423 9.458 274 HA GLU 36 HA GLU 36 0.513 -13.676 9.647 275 HE2 GLU 36 HE2 GLU 36 5.514 -14.505 11.895 276 HB2 GLU 36 1HB GLU 36 2.107 -15.072 10.747 277 HB3 GLU 36 2HB GLU 36 2.620 -15.791 9.214 278 HG2 GLU 36 1HG GLU 36 3.595 -13.686 8.503 279 HG3 GLU 36 2HG GLU 36 3.027 -12.912 9.989 280 H LEU 37 H LEU 37 0.966 -15.755 6.875 281 HA LEU 37 HA LEU 37 2.398 -14.108 5.174 282 HG LEU 37 HG LEU 37 0.381 -14.619 2.630 283 HB2 LEU 37 1HB LEU 37 1.939 -16.363 4.548 284 HB3 LEU 37 2HB LEU 37 0.192 -16.073 4.602 285 HD11 LEU 37 1HD1 LEU 37 3.159 -14.739 3.266 286 HD12 LEU 37 2HD1 LEU 37 2.336 -13.749 2.061 287 HD13 LEU 37 3HD1 LEU 37 2.911 -15.360 1.634 288 HD21 LEU 37 3HD2 LEU 37 1.495 -17.407 2.391 289 HD22 LEU 37 1HD2 LEU 37 1.014 -16.424 1.007 290 HD23 LEU 37 2HD2 LEU 37 -0.184 -16.892 2.214 291 H MET 38 H MET 38 -1.151 -14.341 5.444 292 HA MET 38 HA MET 38 -1.620 -12.125 3.721 293 HB2 MET 38 1HB MET 38 -3.278 -13.903 4.039 294 HB3 MET 38 2HB MET 38 -3.451 -13.438 5.737 295 HG2 MET 38 1HG MET 38 -5.192 -12.232 5.018 296 HG3 MET 38 2HG MET 38 -3.954 -11.079 4.516 297 HE1 MET 38 3HE MET 38 -2.921 -10.960 2.178 298 HE2 MET 38 1HE MET 38 -2.639 -12.683 1.930 299 HE3 MET 38 2HE MET 38 -3.545 -11.757 0.733 300 H LYS 39 H LYS 39 -1.344 -12.524 7.203 301 HA LYS 39 HA LYS 39 -2.347 -10.095 8.080 302 HB2 LYS 39 1HB LYS 39 -1.676 -11.934 9.572 303 HB3 LYS 39 2HB LYS 39 0.023 -11.612 9.190 304 HG2 LYS 39 1HG LYS 39 -0.467 -9.222 10.062 305 HG3 LYS 39 2HG LYS 39 -1.883 -9.979 10.815 306 HD2 LYS 39 1HD LYS 39 -0.319 -11.672 11.839 307 HD3 LYS 39 2HD LYS 39 1.019 -10.668 11.254 308 HE2 LYS 39 1HE LYS 39 -0.383 -8.759 12.493 309 HE3 LYS 39 2HE LYS 39 -0.932 -10.154 13.433 310 HZ1 LYS 39 3HZ LYS 39 1.878 -10.246 13.091 311 HZ2 LYS 39 1HZ LYS 39 0.980 -10.194 14.524 312 HZ3 LYS 39 2HZ LYS 39 1.426 -8.756 13.752 313 H LEU 40 H LEU 40 0.640 -10.804 6.453 314 HA LEU 40 HA LEU 40 2.004 -8.401 7.124 315 HG LEU 40 HG LEU 40 3.708 -10.519 7.355 316 HB2 LEU 40 1HB LEU 40 2.388 -10.673 5.292 317 HB3 LEU 40 2HB LEU 40 3.089 -9.141 4.742 318 HD11 LEU 40 1HD1 LEU 40 4.820 -10.734 4.668 319 HD12 LEU 40 2HD1 LEU 40 5.016 -11.789 6.067 320 HD13 LEU 40 3HD1 LEU 40 6.021 -10.350 5.901 321 HD21 LEU 40 3HD2 LEU 40 5.563 -8.490 6.496 322 HD22 LEU 40 1HD2 LEU 40 4.705 -8.652 8.028 323 HD23 LEU 40 2HD2 LEU 40 3.941 -7.822 6.673 324 H CYS 41 H CYS 41 0.115 -9.410 4.288 325 HA CYS 41 HA CYS 41 0.376 -6.880 2.980 326 HG CYS 41 HG CYS 41 -2.761 -6.883 1.527 327 HB2 CYS 41 1HB CYS 41 0.062 -8.839 1.639 328 HB3 CYS 41 2HB CYS 41 -1.443 -9.240 2.482 329 H GLU 42 H GLU 42 -1.890 -8.316 5.203 330 HA GLU 42 HA GLU 42 -4.106 -6.670 4.801 331 HE2 GLU 42 HE2 GLU 42 -7.693 -8.196 4.826 332 HB2 GLU 42 1HB GLU 42 -3.046 -8.194 7.159 333 HB3 GLU 42 2HB GLU 42 -4.447 -7.129 7.353 334 HG2 GLU 42 1HG GLU 42 -4.430 -9.162 5.161 335 HG3 GLU 42 2HG GLU 42 -4.782 -9.653 6.823 336 H GLU 43 H GLU 43 -1.057 -6.025 6.308 337 HA GLU 43 HA GLU 43 -1.674 -3.913 7.996 338 HE2 GLU 43 HE2 GLU 43 0.847 -3.690 10.883 339 HB2 GLU 43 1HB GLU 43 0.785 -4.172 6.250 340 HB3 GLU 43 2HB GLU 43 0.638 -3.194 7.719 341 HG2 GLU 43 1HG GLU 43 -0.026 -6.024 8.101 342 HG3 GLU 43 2HG GLU 43 1.646 -5.721 7.605 343 H ALA 44 H ALA 44 -1.238 -3.953 4.504 344 HA ALA 44 HA ALA 44 -1.066 -1.256 3.948 345 HB1 ALA 44 3HB ALA 44 -2.492 -2.013 1.842 346 HB2 ALA 44 1HB ALA 44 -0.808 -2.491 2.055 347 HB3 ALA 44 2HB ALA 44 -2.103 -3.613 2.475 348 H ALA 45 H ALA 45 -3.961 -3.197 4.564 349 HA ALA 45 HA ALA 45 -5.776 -1.031 4.101 350 HB1 ALA 45 3HB ALA 45 -5.954 -3.850 4.672 351 HB2 ALA 45 1HB ALA 45 -7.091 -2.933 5.662 352 HB3 ALA 45 2HB ALA 45 -7.130 -2.781 3.905 353 H LYS 46 H LYS 46 -3.906 -2.130 6.778 354 HA LYS 46 HA LYS 46 -5.505 -0.939 8.833 355 HB2 LYS 46 1HB LYS 46 -3.185 -2.599 8.674 356 HB3 LYS 46 2HB LYS 46 -2.798 -1.192 9.677 357 HG2 LYS 46 1HG LYS 46 -4.481 -1.684 11.239 358 HG3 LYS 46 2HG LYS 46 -5.276 -2.820 10.135 359 HD2 LYS 46 1HD LYS 46 -2.461 -3.308 11.072 360 HD3 LYS 46 2HD LYS 46 -3.850 -3.762 12.075 361 HE2 LYS 46 1HE LYS 46 -4.436 -4.697 9.484 362 HE3 LYS 46 2HE LYS 46 -2.741 -5.104 9.788 363 HZ1 LYS 46 3HZ LYS 46 -4.434 -6.795 10.514 364 HZ2 LYS 46 1HZ LYS 46 -4.890 -5.714 11.733 365 HZ3 LYS 46 2HZ LYS 46 -3.315 -6.330 11.696 366 H LYS 47 H LYS 47 -2.459 -0.039 7.229 367 HA LYS 47 HA LYS 47 -2.258 2.468 8.582 368 HB2 LYS 47 1HB LYS 47 -0.891 1.413 6.095 369 HB3 LYS 47 2HB LYS 47 -0.474 2.936 6.896 370 HG2 LYS 47 1HG LYS 47 -0.310 0.204 8.173 371 HG3 LYS 47 2HG LYS 47 1.053 1.108 7.490 372 HD2 LYS 47 1HD LYS 47 1.313 1.860 9.599 373 HD3 LYS 47 2HD LYS 47 0.003 2.970 9.156 374 HE2 LYS 47 1HE LYS 47 -1.618 1.212 9.999 375 HE3 LYS 47 2HE LYS 47 -0.209 0.369 10.659 376 HZ1 LYS 47 3HZ LYS 47 -1.628 2.280 11.943 377 HZ2 LYS 47 1HZ LYS 47 -0.300 3.154 11.364 378 HZ3 LYS 47 2HZ LYS 47 -0.057 1.799 12.346 379 H ALA 48 H ALA 48 -3.172 1.535 5.271 380 HA ALA 48 HA ALA 48 -3.666 4.034 4.209 381 HB1 ALA 48 3HB ALA 48 -3.729 1.818 3.014 382 HB2 ALA 48 1HB ALA 48 -5.369 1.622 3.633 383 HB3 ALA 48 2HB ALA 48 -4.987 2.966 2.556 384 H GLU 49 H GLU 49 -5.575 2.190 6.473 385 HA GLU 49 HA GLU 49 -7.963 3.740 6.178 386 HE2 GLU 49 HE2 GLU 49 -11.725 0.992 9.200 387 HB2 GLU 49 1HB GLU 49 -8.136 1.481 6.993 388 HB3 GLU 49 2HB GLU 49 -7.041 1.841 8.337 389 HG2 GLU 49 1HG GLU 49 -8.635 2.893 9.564 390 HG3 GLU 49 2HG GLU 49 -9.503 3.468 8.133 391 H GLU 50 H GLU 50 -5.350 3.643 8.587 392 HA GLU 50 HA GLU 50 -6.308 5.604 10.308 393 HE2 GLU 50 HE2 GLU 50 -5.703 3.037 13.493 394 HB2 GLU 50 1HB GLU 50 -4.066 4.039 10.188 395 HB3 GLU 50 2HB GLU 50 -3.399 5.653 9.896 396 HG2 GLU 50 1HG GLU 50 -3.324 5.861 12.108 397 HG3 GLU 50 2HG GLU 50 -5.076 6.087 12.014 398 H LEU 51 H LEU 51 -4.304 5.936 7.405 399 HA LEU 51 HA LEU 51 -4.038 8.769 7.637 400 HG LEU 51 HG LEU 51 -1.828 7.426 7.450 401 HB2 LEU 51 1HB LEU 51 -3.466 6.750 5.491 402 HB3 LEU 51 2HB LEU 51 -3.386 8.485 5.140 403 HD11 LEU 51 1HD1 LEU 51 -0.151 7.431 5.174 404 HD12 LEU 51 2HD1 LEU 51 -1.546 6.417 4.804 405 HD13 LEU 51 3HD1 LEU 51 -0.564 6.079 6.229 406 HD21 LEU 51 3HD2 LEU 51 -1.447 9.650 7.379 407 HD22 LEU 51 1HD2 LEU 51 -1.850 9.776 5.666 408 HD23 LEU 51 2HD2 LEU 51 -0.261 9.186 6.158 409 H PHE 52 H PHE 52 -6.049 6.635 5.632 410 HA PHE 52 HA PHE 52 -7.354 8.583 4.137 411 HD1 PHE 52 HD2 PHE 52 -8.900 8.029 2.112 412 HD2 PHE 52 HD1 PHE 52 -10.592 5.744 5.280 413 HE1 PHE 52 HE2 PHE 52 -11.144 8.400 1.176 414 HE2 PHE 52 HE1 PHE 52 -12.840 6.111 4.348 415 HZ PHE 52 HZ PHE 52 -13.118 7.442 2.294 416 HB2 PHE 52 1HB PHE 52 -7.571 6.271 3.537 417 HB3 PHE 52 2HB PHE 52 -8.301 5.880 5.095 418 H LYS 53 H LYS 53 -7.734 7.687 7.453 419 HA LYS 53 HA LYS 53 -10.351 8.695 7.863 420 HB2 LYS 53 1HB LYS 53 -9.490 7.181 9.479 421 HB3 LYS 53 2HB LYS 53 -8.041 8.168 9.728 422 HG2 LYS 53 1HG LYS 53 -10.660 9.439 10.310 423 HG3 LYS 53 2HG LYS 53 -10.090 8.179 11.419 424 HD2 LYS 53 1HD LYS 53 -7.895 9.904 10.828 425 HD3 LYS 53 2HD LYS 53 -9.290 10.899 11.281 426 HE2 LYS 53 1HE LYS 53 -8.001 10.349 13.264 427 HE3 LYS 53 2HE LYS 53 -9.576 9.543 13.317 428 HZ1 LYS 53 3HZ LYS 53 -7.180 8.159 12.280 429 HZ2 LYS 53 1HZ LYS 53 -8.627 7.485 12.842 430 HZ3 LYS 53 2HZ LYS 53 -7.539 8.181 13.933 431 H LEU 54 H LEU 54 -7.130 10.104 8.388 432 HA LEU 54 HA LEU 54 -8.152 12.627 9.253 433 HG LEU 54 HG LEU 54 -6.289 14.071 10.217 434 HB2 LEU 54 1HB LEU 54 -5.633 11.333 9.110 435 HB3 LEU 54 2HB LEU 54 -5.503 12.856 8.215 436 HD11 LEU 54 1HD1 LEU 54 -6.206 11.329 11.458 437 HD12 LEU 54 2HD1 LEU 54 -7.595 12.407 11.319 438 HD13 LEU 54 3HD1 LEU 54 -6.255 12.830 12.383 439 HD21 LEU 54 3HD2 LEU 54 -4.136 14.320 10.683 440 HD22 LEU 54 1HD2 LEU 54 -3.783 12.851 9.774 441 HD23 LEU 54 2HD2 LEU 54 -4.105 12.761 11.506 442 H ALA 55 H ALA 55 -7.477 11.192 6.188 443 HA ALA 55 HA ALA 55 -6.995 13.416 4.592 444 HB1 ALA 55 3HB ALA 55 -7.644 10.669 4.194 445 HB2 ALA 55 1HB ALA 55 -8.627 11.651 3.107 446 HB3 ALA 55 2HB ALA 55 -6.869 11.798 3.082 447 H GLU 56 H GLU 56 -9.914 12.371 6.129 448 HA GLU 56 HA GLU 56 -11.692 13.889 4.461 449 HE2 GLU 56 HE2 GLU 56 -14.775 9.362 5.980 450 HB2 GLU 56 1HB GLU 56 -12.373 12.990 7.245 451 HB3 GLU 56 2HB GLU 56 -13.419 13.111 5.822 452 HG2 GLU 56 1HG GLU 56 -12.146 11.210 4.810 453 HG3 GLU 56 2HG GLU 56 -11.312 11.034 6.360 454 H GLU 57 H GLU 57 -9.795 14.487 7.299 455 HA GLU 57 HA GLU 57 -11.203 16.717 8.306 456 HE2 GLU 57 HE2 GLU 57 -11.635 17.321 11.769 457 HB2 GLU 57 1HB GLU 57 -9.526 15.474 9.610 458 HB3 GLU 57 2HB GLU 57 -8.259 16.071 8.528 459 HG2 GLU 57 1HG GLU 57 -8.247 17.352 10.566 460 HG3 GLU 57 2HG GLU 57 -8.769 18.371 9.217 461 H ARG 58 H ARG 58 -8.381 16.490 6.153 462 HA ARG 58 HA ARG 58 -8.323 19.330 5.703 463 HE ARG 58 HE ARG 58 -6.778 16.892 6.950 464 HB2 ARG 58 1HB ARG 58 -6.638 18.647 3.896 465 HB3 ARG 58 2HB ARG 58 -6.214 18.307 5.579 466 HG2 ARG 58 1HG ARG 58 -7.631 16.071 4.450 467 HG3 ARG 58 2HG ARG 58 -6.246 16.514 3.437 468 HD2 ARG 58 1HD ARG 58 -5.818 14.829 5.310 469 HD3 ARG 58 2HD ARG 58 -4.716 16.207 5.187 470 HH11 ARG 58 1HH1 ARG 58 -4.077 14.705 6.745 471 HH12 ARG 58 2HH1 ARG 58 -3.820 14.654 8.457 472 HH21 ARG 58 1HH2 ARG 58 -6.452 16.832 9.207 473 HH22 ARG 58 2HH2 ARG 58 -5.172 15.863 9.857 474 H LEU 59 H LEU 59 -10.072 16.723 4.423 475 HA LEU 59 HA LEU 59 -10.525 18.003 1.843 476 HG LEU 59 HG LEU 59 -13.179 16.001 1.427 477 HB2 LEU 59 1HB LEU 59 -10.207 15.618 1.807 478 HB3 LEU 59 2HB LEU 59 -11.485 15.400 3.014 479 HD11 LEU 59 1HD1 LEU 59 -10.855 16.769 -0.303 480 HD12 LEU 59 2HD1 LEU 59 -12.264 17.726 0.151 481 HD13 LEU 59 3HD1 LEU 59 -12.433 16.393 -0.991 482 HD21 LEU 59 3HD2 LEU 59 -11.167 14.063 0.294 483 HD22 LEU 59 1HD2 LEU 59 -12.818 14.245 -0.300 484 HD23 LEU 59 2HD2 LEU 59 -12.531 13.695 1.352 485 H LYS 60 H LYS 60 -12.842 16.391 3.994 486 HA LYS 60 HA LYS 60 -14.701 18.616 3.535 487 HB2 LYS 60 1HB LYS 60 -16.417 16.977 4.429 488 HB3 LYS 60 2HB LYS 60 -15.677 16.561 2.875 489 HG2 LYS 60 1HG LYS 60 -14.153 15.430 5.045 490 HG3 LYS 60 2HG LYS 60 -15.859 14.959 5.152 491 HD2 LYS 60 1HD LYS 60 -14.774 14.826 2.430 492 HD3 LYS 60 2HD LYS 60 -13.970 13.742 3.579 493 HE2 LYS 60 1HE LYS 60 -16.000 12.639 4.128 494 HE3 LYS 60 2HE LYS 60 -16.964 13.891 3.332 495 HZ1 LYS 60 3HZ LYS 60 -15.984 13.193 1.201 496 HZ2 LYS 60 1HZ LYS 60 -16.865 11.954 1.945 497 HZ3 LYS 60 2HZ LYS 60 -15.175 11.936 1.993 498 H LYS 61 H LYS 61 -16.404 18.522 5.563 499 HA LYS 61 HA LYS 61 -14.743 18.952 7.960 500 HB2 LYS 61 1HB LYS 61 -15.812 20.985 6.779 501 HB3 LYS 61 2HB LYS 61 -17.339 20.381 7.445 502 HG2 LYS 61 1HG LYS 61 -16.077 20.388 9.713 503 HG3 LYS 61 2HG LYS 61 -14.962 21.485 8.879 504 HD2 LYS 61 1HD LYS 61 -17.168 22.731 8.185 505 HD3 LYS 61 2HD LYS 61 -17.835 21.884 9.592 506 HE2 LYS 61 1HE LYS 61 -16.391 22.958 11.092 507 HE3 LYS 61 2HE LYS 61 -15.277 23.434 9.802 508 HZ1 LYS 61 3HZ LYS 61 -17.929 24.586 10.431 509 HZ2 LYS 61 1HZ LYS 61 -17.164 24.858 8.946 510 HZ3 LYS 61 2HZ LYS 61 -16.430 25.369 10.381 511 H LEU 62 H LEU 62 -15.083 16.903 8.822 512 HA LEU 62 HA LEU 62 -17.588 15.639 9.041 513 HG LEU 62 HG LEU 62 -15.162 14.722 8.144 514 HB2 LEU 62 1HB LEU 62 -15.144 15.333 10.794 515 HB3 LEU 62 2HB LEU 62 -16.513 14.210 10.710 516 HD11 LEU 62 1HD1 LEU 62 -13.709 13.721 10.524 517 HD12 LEU 62 2HD1 LEU 62 -13.112 14.590 9.111 518 HD13 LEU 62 3HD1 LEU 62 -13.465 12.866 9.001 519 HD21 LEU 62 3HD2 LEU 62 -15.551 12.025 9.299 520 HD22 LEU 62 1HD2 LEU 62 -15.866 12.621 7.669 521 HD23 LEU 62 2HD2 LEU 62 -17.002 12.973 8.971 522 HA MET 1 HA MET 1 12.540 -16.831 -12.859 523 H1 MET 1 1H MET 1 13.535 -19.045 -11.315 524 HB2 MET 1 1HB MET 1 14.585 -18.444 -13.293 525 HB3 MET 1 2HB MET 1 13.353 -19.417 -14.113 526 HG2 MET 1 1HG MET 1 13.776 -18.199 -15.924 527 HG3 MET 1 2HG MET 1 12.900 -16.901 -15.109 528 HE1 MET 1 3HE MET 1 13.822 -14.664 -14.751 529 HE2 MET 1 1HE MET 1 15.374 -14.207 -15.452 530 HE3 MET 1 2HE MET 1 14.152 -14.988 -16.454 531 H LYS 2 H LYS 2 10.341 -16.705 -12.729 532 HA LYS 2 HA LYS 2 8.850 -18.665 -14.244 533 HB2 LYS 2 1HB LYS 2 8.739 -18.526 -11.311 534 HB3 LYS 2 2HB LYS 2 7.156 -18.434 -12.097 535 HG2 LYS 2 1HG LYS 2 9.186 -20.605 -12.622 536 HG3 LYS 2 2HG LYS 2 7.842 -20.733 -11.473 537 HD2 LYS 2 1HD LYS 2 6.323 -21.088 -13.091 538 HD3 LYS 2 2HD LYS 2 7.023 -19.837 -14.134 539 HE2 LYS 2 1HE LYS 2 8.692 -22.245 -13.832 540 HE3 LYS 2 2HE LYS 2 7.132 -22.515 -14.623 541 HZ1 LYS 2 3HZ LYS 2 8.396 -21.934 -16.405 542 HZ2 LYS 2 1HZ LYS 2 9.409 -20.911 -15.519 543 HZ3 LYS 2 2HZ LYS 2 7.860 -20.394 -15.955 544 H LYS 3 H LYS 3 6.364 -17.959 -14.050 545 HA LYS 3 HA LYS 3 6.267 -15.020 -14.208 546 HB2 LYS 3 1HB LYS 3 5.125 -17.052 -16.130 547 HB3 LYS 3 2HB LYS 3 4.589 -15.364 -16.088 548 HG2 LYS 3 1HG LYS 3 6.218 -14.876 -17.509 549 HG3 LYS 3 2HG LYS 3 7.372 -15.238 -16.214 550 HD2 LYS 3 1HD LYS 3 8.164 -16.750 -17.696 551 HD3 LYS 3 2HD LYS 3 6.833 -17.738 -17.067 552 HE2 LYS 3 1HE LYS 3 6.332 -17.932 -19.275 553 HE3 LYS 3 2HE LYS 3 5.500 -16.402 -18.962 554 HZ1 LYS 3 3HZ LYS 3 8.234 -15.956 -19.586 555 HZ2 LYS 3 1HZ LYS 3 6.850 -15.351 -20.349 556 HZ3 LYS 3 2HZ LYS 3 7.485 -16.849 -20.811 557 H LEU 4 H LEU 4 4.316 -17.983 -13.962 558 HA LEU 4 HA LEU 4 1.901 -16.881 -13.204 559 HG LEU 4 HG LEU 4 1.334 -20.485 -13.743 560 HB2 LEU 4 1HB LEU 4 3.261 -19.484 -12.712 561 HB3 LEU 4 2HB LEU 4 1.819 -19.106 -11.754 562 HD11 LEU 4 1HD1 LEU 4 -0.676 -19.568 -13.608 563 HD12 LEU 4 2HD1 LEU 4 -0.147 -18.243 -14.644 564 HD13 LEU 4 3HD1 LEU 4 0.023 -18.115 -12.892 565 HD21 LEU 4 3HD2 LEU 4 1.503 -19.564 -15.958 566 HD22 LEU 4 1HD2 LEU 4 3.089 -19.499 -15.191 567 HD23 LEU 4 2HD2 LEU 4 2.113 -18.036 -15.321 568 H ARG 5 H ARG 5 4.200 -18.322 -10.887 569 HA ARG 5 HA ARG 5 3.008 -17.067 -8.646 570 HE ARG 5 HE ARG 5 5.363 -20.458 -10.528 571 HB2 ARG 5 1HB ARG 5 5.024 -17.836 -7.418 572 HB3 ARG 5 2HB ARG 5 4.252 -19.116 -8.365 573 HG2 ARG 5 1HG ARG 5 6.019 -18.316 -10.187 574 HG3 ARG 5 2HG ARG 5 6.890 -17.825 -8.725 575 HD2 ARG 5 1HD ARG 5 7.659 -19.982 -8.980 576 HD3 ARG 5 2HD ARG 5 6.278 -20.230 -7.901 577 HH11 ARG 5 1HH1 ARG 5 7.483 -22.116 -8.319 578 HH12 ARG 5 2HH1 ARG 5 7.224 -23.672 -9.034 579 HH21 ARG 5 1HH2 ARG 5 5.014 -22.502 -11.478 580 HH22 ARG 5 2HH2 ARG 5 5.820 -23.891 -10.831 581 H GLU 6 H GLU 6 5.720 -16.236 -10.728 582 HA GLU 6 HA GLU 6 6.920 -14.236 -9.234 583 HE2 GLU 6 HE2 GLU 6 6.720 -10.992 -13.073 584 HB2 GLU 6 1HB GLU 6 7.627 -15.229 -11.490 585 HB3 GLU 6 2HB GLU 6 6.543 -14.032 -12.214 586 HG2 GLU 6 1HG GLU 6 8.356 -12.851 -10.267 587 HG3 GLU 6 2HG GLU 6 9.199 -13.664 -11.595 588 H GLU 7 H GLU 7 3.915 -14.199 -10.990 589 HA GLU 7 HA GLU 7 3.520 -11.459 -11.296 590 HE2 GLU 7 HE2 GLU 7 0.555 -11.111 -15.004 591 HB2 GLU 7 1HB GLU 7 1.570 -13.721 -10.837 592 HB3 GLU 7 2HB GLU 7 1.053 -12.060 -11.167 593 HG2 GLU 7 1HG GLU 7 2.944 -12.709 -13.152 594 HG3 GLU 7 2HG GLU 7 1.858 -14.097 -13.001 595 H ALA 8 H ALA 8 2.358 -13.545 -8.646 596 HA ALA 8 HA ALA 8 1.257 -11.571 -7.044 597 HB1 ALA 8 3HB ALA 8 0.710 -13.571 -6.165 598 HB2 ALA 8 1HB ALA 8 2.245 -14.311 -6.622 599 HB3 ALA 8 2HB ALA 8 2.146 -13.303 -5.178 600 H ALA 9 H ALA 9 4.589 -12.386 -7.577 601 HA ALA 9 HA ALA 9 5.630 -11.069 -5.264 602 HB1 ALA 9 3HB ALA 9 7.255 -12.460 -5.943 603 HB2 ALA 9 1HB ALA 9 6.717 -12.432 -7.622 604 HB3 ALA 9 2HB ALA 9 7.722 -11.125 -6.995 605 H LYS 10 H LYS 10 5.162 -10.161 -8.650 606 HA LYS 10 HA LYS 10 6.462 -7.671 -8.547 607 HB2 LYS 10 1HB LYS 10 4.076 -8.313 -10.286 608 HB3 LYS 10 2HB LYS 10 5.398 -7.184 -10.623 609 HG2 LYS 10 1HG LYS 10 6.762 -9.525 -10.311 610 HG3 LYS 10 2HG LYS 10 5.243 -10.076 -11.039 611 HD2 LYS 10 1HD LYS 10 6.128 -9.512 -13.014 612 HD3 LYS 10 2HD LYS 10 5.879 -7.829 -12.516 613 HE2 LYS 10 1HE LYS 10 8.350 -9.206 -11.571 614 HE3 LYS 10 2HE LYS 10 8.256 -8.735 -13.274 615 HZ1 LYS 10 3HZ LYS 10 8.078 -6.495 -12.729 616 HZ2 LYS 10 1HZ LYS 10 9.231 -7.070 -11.633 617 HZ3 LYS 10 2HZ LYS 10 7.641 -6.805 -11.124 618 H LEU 11 H LEU 11 3.218 -8.667 -7.673 619 HA LEU 11 HA LEU 11 1.898 -6.248 -7.555 620 HG LEU 11 HG LEU 11 1.222 -9.432 -7.772 621 HB2 LEU 11 1HB LEU 11 1.688 -8.533 -5.586 622 HB3 LEU 11 2HB LEU 11 0.490 -7.248 -5.825 623 HD11 LEU 11 1HD1 LEU 11 -0.228 -10.386 -6.249 624 HD12 LEU 11 2HD1 LEU 11 -1.331 -9.782 -7.485 625 HD13 LEU 11 3HD1 LEU 11 -1.109 -8.882 -5.985 626 HD21 LEU 11 3HD2 LEU 11 -0.704 -7.135 -8.115 627 HD22 LEU 11 1HD2 LEU 11 -0.480 -8.478 -9.237 628 HD23 LEU 11 2HD2 LEU 11 0.832 -7.330 -8.959 629 H PHE 12 H PHE 12 4.028 -7.709 -5.131 630 HA PHE 12 HA PHE 12 3.703 -5.581 -3.249 631 HD1 PHE 12 HD2 PHE 12 2.775 -6.486 -1.664 632 HD2 PHE 12 HD1 PHE 12 5.193 -9.855 -2.623 633 HE1 PHE 12 HE2 PHE 12 1.134 -7.968 -0.583 634 HE2 PHE 12 HE1 PHE 12 3.555 -11.341 -1.545 635 HZ PHE 12 HZ PHE 12 1.523 -10.398 -0.522 636 HB2 PHE 12 1HB PHE 12 5.784 -7.773 -3.461 637 HB3 PHE 12 2HB PHE 12 5.648 -6.658 -2.099 638 H GLU 13 H GLU 13 5.783 -6.184 -5.956 639 HA GLU 13 HA GLU 13 7.906 -4.457 -5.308 640 HE2 GLU 13 HE2 GLU 13 9.490 -7.600 -9.485 641 HB2 GLU 13 1HB GLU 13 7.274 -6.150 -7.409 642 HB3 GLU 13 2HB GLU 13 7.273 -4.544 -8.154 643 HG2 GLU 13 1HG GLU 13 9.522 -4.136 -7.532 644 HG3 GLU 13 2HG GLU 13 9.544 -5.547 -6.465 645 H GLU 14 H GLU 14 4.893 -3.902 -7.095 646 HA GLU 14 HA GLU 14 5.467 -1.148 -7.611 647 HE2 GLU 14 HE2 GLU 14 1.956 -3.125 -11.887 648 HB2 GLU 14 1HB GLU 14 2.754 -2.478 -7.665 649 HB3 GLU 14 2HB GLU 14 3.266 -1.025 -8.539 650 HG2 GLU 14 1HG GLU 14 5.028 -2.681 -9.593 651 HG3 GLU 14 2HG GLU 14 3.817 -3.883 -9.127 652 H TRP 15 H TRP 15 3.792 -2.925 -5.107 653 HA TRP 15 HA TRP 15 2.373 -0.816 -3.928 654 HD1 TRP 15 HD1 TRP 15 0.679 -1.961 -4.756 655 HE1 TRP 15 HE1 TRP 15 -1.711 -2.566 -4.017 656 HE3 TRP 15 HE3 TRP 15 1.731 -3.948 -0.166 657 HZ2 TRP 15 HZ2 TRP 15 -2.982 -3.733 -1.782 658 HZ3 TRP 15 HZ3 TRP 15 -0.129 -4.786 1.210 659 HH2 TRP 15 HH2 TRP 15 -2.436 -4.679 0.418 660 HB2 TRP 15 1HB TRP 15 3.185 -3.539 -3.186 661 HB3 TRP 15 2HB TRP 15 3.042 -2.448 -1.808 662 H LYS 16 H LYS 16 5.651 -2.025 -3.323 663 HA LYS 16 HA LYS 16 6.182 -0.084 -1.276 664 HB2 LYS 16 1HB LYS 16 8.367 -1.007 -1.162 665 HB3 LYS 16 2HB LYS 16 7.262 -2.362 -1.446 666 HG2 LYS 16 1HG LYS 16 7.852 -2.415 -3.794 667 HG3 LYS 16 2HG LYS 16 8.896 -0.999 -3.577 668 HD2 LYS 16 1HD LYS 16 9.391 -3.356 -1.824 669 HD3 LYS 16 2HD LYS 16 9.854 -3.479 -3.531 670 HE2 LYS 16 1HE LYS 16 10.663 -1.110 -1.855 671 HE3 LYS 16 2HE LYS 16 11.602 -2.610 -1.861 672 HZ1 LYS 16 3HZ LYS 16 11.766 -0.540 -3.676 673 HZ2 LYS 16 1HZ LYS 16 11.012 -1.803 -4.513 674 HZ3 LYS 16 2HZ LYS 16 12.518 -2.052 -3.784 675 H LYS 17 H LYS 17 6.465 -0.214 -4.717 676 HA LYS 17 HA LYS 17 8.398 1.880 -4.976 677 HB2 LYS 17 1HB LYS 17 6.678 0.283 -6.794 678 HB3 LYS 17 2HB LYS 17 7.195 1.871 -7.384 679 HG2 LYS 17 1HG LYS 17 9.496 0.670 -6.305 680 HG3 LYS 17 2HG LYS 17 8.671 -0.582 -7.249 681 HD2 LYS 17 1HD LYS 17 9.982 0.411 -8.869 682 HD3 LYS 17 2HD LYS 17 8.459 1.301 -9.046 683 HE2 LYS 17 1HE LYS 17 10.392 2.411 -7.093 684 HE3 LYS 17 2HE LYS 17 10.863 2.490 -8.796 685 HZ1 LYS 17 3HZ LYS 17 9.525 4.216 -9.050 686 HZ2 LYS 17 1HZ LYS 17 9.064 4.133 -7.424 687 HZ3 LYS 17 2HZ LYS 17 8.188 3.285 -8.595 688 H LEU 18 H LEU 18 4.875 1.715 -5.475 689 HA LEU 18 HA LEU 18 4.435 4.373 -6.131 690 HG LEU 18 HG LEU 18 3.142 1.775 -6.977 691 HB2 LEU 18 1HB LEU 18 2.687 2.425 -4.625 692 HB3 LEU 18 2HB LEU 18 2.135 4.004 -5.210 693 HD11 LEU 18 1HD1 LEU 18 1.139 0.907 -6.313 694 HD12 LEU 18 2HD1 LEU 18 0.594 1.935 -7.638 695 HD13 LEU 18 3HD1 LEU 18 0.438 2.489 -5.971 696 HD21 LEU 18 3HD2 LEU 18 2.444 4.585 -7.417 697 HD22 LEU 18 1HD2 LEU 18 1.643 3.456 -8.511 698 HD23 LEU 18 2HD2 LEU 18 3.404 3.482 -8.405 699 H ALA 19 H ALA 19 5.077 2.913 -3.041 700 HA ALA 19 HA ALA 19 4.126 4.975 -1.371 701 HB1 ALA 19 3HB ALA 19 5.384 3.950 0.375 702 HB2 ALA 19 1HB ALA 19 4.745 2.662 -0.647 703 HB3 ALA 19 2HB ALA 19 6.438 3.138 -0.783 704 H GLU 20 H GLU 20 6.981 4.669 -3.308 705 HA GLU 20 HA GLU 20 8.538 6.635 -1.941 706 HE2 GLU 20 HE2 GLU 20 12.538 3.183 -4.024 707 HB2 GLU 20 1HB GLU 20 8.837 5.809 -4.831 708 HB3 GLU 20 2HB GLU 20 10.080 6.449 -3.747 709 HG2 GLU 20 1HG GLU 20 9.224 4.191 -2.424 710 HG3 GLU 20 2HG GLU 20 9.167 3.717 -4.128 711 H GLU 21 H GLU 21 6.618 6.673 -4.937 712 HA GLU 21 HA GLU 21 7.027 9.456 -5.405 713 HE2 GLU 21 HE2 GLU 21 6.596 9.408 -10.159 714 HB2 GLU 21 1HB GLU 21 4.829 7.690 -6.502 715 HB3 GLU 21 2HB GLU 21 5.409 9.219 -7.181 716 HG2 GLU 21 1HG GLU 21 7.591 7.362 -6.895 717 HG3 GLU 21 2HG GLU 21 6.265 6.640 -7.818 718 H ALA 22 H ALA 22 4.240 7.573 -4.237 719 HA ALA 22 HA ALA 22 2.471 9.666 -3.812 720 HB1 ALA 22 3HB ALA 22 1.438 8.164 -2.085 721 HB2 ALA 22 1HB ALA 22 1.679 7.429 -3.670 722 HB3 ALA 22 2HB ALA 22 2.784 7.054 -2.346 723 H ALA 23 H ALA 23 5.198 8.619 -1.899 724 HA ALA 23 HA ALA 23 4.524 10.056 0.465 725 HB1 ALA 23 3HB ALA 23 6.031 8.405 0.939 726 HB2 ALA 23 1HB ALA 23 6.940 8.652 -0.551 727 HB3 ALA 23 2HB ALA 23 7.125 9.780 0.793 728 H LYS 24 H LYS 24 6.903 10.691 -2.116 729 HA LYS 24 HA LYS 24 7.656 13.239 -1.184 730 HB2 LYS 24 1HB LYS 24 8.553 13.575 -3.488 731 HB3 LYS 24 2HB LYS 24 9.075 12.063 -2.728 732 HG2 LYS 24 1HG LYS 24 7.389 10.825 -4.003 733 HG3 LYS 24 2HG LYS 24 6.881 12.338 -4.773 734 HD2 LYS 24 1HD LYS 24 9.772 11.649 -4.912 735 HD3 LYS 24 2HD LYS 24 8.651 10.685 -5.891 736 HE2 LYS 24 1HE LYS 24 8.066 13.527 -6.082 737 HE3 LYS 24 2HE LYS 24 9.732 13.158 -6.551 738 HZ1 LYS 24 3HZ LYS 24 8.256 13.026 -8.445 739 HZ2 LYS 24 1HZ LYS 24 7.297 11.873 -7.663 740 HZ3 LYS 24 2HZ LYS 24 8.887 11.495 -8.099 741 H LEU 25 H LEU 25 5.074 12.163 -3.301 742 HA LEU 25 HA LEU 25 4.345 14.801 -4.158 743 HG LEU 25 HG LEU 25 4.527 13.271 -6.419 744 HB2 LEU 25 1HB LEU 25 3.442 12.049 -4.612 745 HB3 LEU 25 2HB LEU 25 2.133 13.242 -4.584 746 HD11 LEU 25 1HD1 LEU 25 1.644 12.966 -7.186 747 HD12 LEU 25 2HD1 LEU 25 2.652 11.575 -6.792 748 HD13 LEU 25 3HD1 LEU 25 3.086 12.624 -8.141 749 HD21 LEU 25 3HD2 LEU 25 4.084 15.393 -6.898 750 HD22 LEU 25 1HD2 LEU 25 2.973 15.420 -5.528 751 HD23 LEU 25 2HD2 LEU 25 2.374 15.035 -7.142 752 H LEU 26 H LEU 26 3.221 12.534 -1.699 753 HA LEU 26 HA LEU 26 0.882 13.735 -0.885 754 HG LEU 26 HG LEU 26 0.810 11.096 -0.585 755 HB2 LEU 26 1HB LEU 26 2.922 12.017 0.362 756 HB3 LEU 26 2HB LEU 26 1.943 12.963 1.497 757 HD11 LEU 26 1HD1 LEU 26 0.845 10.560 2.356 758 HD12 LEU 26 2HD1 LEU 26 2.220 10.109 1.348 759 HD13 LEU 26 3HD1 LEU 26 0.624 9.437 1.014 760 HD21 LEU 26 3HD2 LEU 26 -1.263 11.359 0.651 761 HD22 LEU 26 1HD2 LEU 26 -0.680 12.926 0.093 762 HD23 LEU 26 2HD2 LEU 26 -0.472 12.459 1.782 763 H GLU 27 H GLU 27 4.172 14.449 0.276 764 HA GLU 27 HA GLU 27 3.186 16.783 1.710 765 HE2 GLU 27 HE2 GLU 27 3.412 15.823 5.678 766 HB2 GLU 27 1HB GLU 27 6.050 15.853 1.462 767 HB3 GLU 27 2HB GLU 27 5.360 16.929 2.688 768 HG2 GLU 27 1HG GLU 27 4.619 14.022 2.366 769 HG3 GLU 27 2HG GLU 27 5.831 14.634 3.501 770 H GLY 28 H GLY 28 3.575 16.350 -1.369 771 HA2 GLY 28 1HA GLY 28 5.515 18.147 -2.286 772 HA3 GLY 28 2HA GLY 28 4.061 17.696 -3.163 773 H GLY 29 H GLY 29 2.630 18.787 -0.600 774 HA2 GLY 29 1HA GLY 29 2.728 21.257 0.114 775 HA3 GLY 29 2HA GLY 29 2.550 21.554 -1.608 776 H GLY 30 H GLY 30 0.970 19.153 0.486 777 HA2 GLY 30 1HA GLY 30 -1.611 20.060 -0.561 778 HA3 GLY 30 2HA GLY 30 -1.309 18.546 0.278 779 H GLY 31 H GLY 31 -0.718 18.761 2.628 780 HA2 GLY 31 1HA GLY 31 -1.250 21.075 4.115 781 HA3 GLY 31 2HA GLY 31 -2.748 20.164 3.985 782 H GLY 32 H GLY 32 -0.311 20.736 6.013 783 HA2 GLY 32 1HA GLY 32 -0.868 18.445 7.620 784 HA3 GLY 32 2HA GLY 32 0.724 18.333 6.883 785 H GLY 33 H GLY 33 1.771 18.439 8.889 786 HA2 GLY 33 1HA GLY 33 2.528 21.014 9.730 787 HA3 GLY 33 2HA GLY 33 1.325 20.394 10.850 788 H GLY 34 H GLY 34 2.063 17.665 10.780 789 HA2 GLY 34 1HA GLY 34 4.672 17.829 12.155 790 HA3 GLY 34 2HA GLY 34 3.384 16.721 12.603 791 H GLY 35 H GLY 35 6.155 16.113 11.949 792 HA2 GLY 35 1HA GLY 35 6.411 15.067 9.348 793 HA3 GLY 35 2HA GLY 35 7.360 14.578 10.744 794 H GLU 36 H GLU 36 4.834 13.822 12.180 795 HA GLU 36 HA GLU 36 4.854 11.099 11.716 796 HE2 GLU 36 HE2 GLU 36 1.526 10.570 16.119 797 HB2 GLU 36 1HB GLU 36 3.923 11.937 13.747 798 HB3 GLU 36 2HB GLU 36 2.699 12.867 12.869 799 HG2 GLU 36 1HG GLU 36 1.605 10.825 12.147 800 HG3 GLU 36 2HG GLU 36 2.857 9.862 12.944 801 H LEU 37 H LEU 37 3.058 13.605 10.086 802 HA LEU 37 HA LEU 37 1.031 12.182 8.872 803 HG LEU 37 HG LEU 37 1.603 13.431 5.894 804 HB2 LEU 37 1HB LEU 37 1.127 14.556 8.661 805 HB3 LEU 37 2HB LEU 37 2.694 14.467 7.840 806 HD11 LEU 37 1HD1 LEU 37 -0.547 13.109 7.740 807 HD12 LEU 37 2HD1 LEU 37 -0.389 12.484 6.098 808 HD13 LEU 37 3HD1 LEU 37 -1.099 14.075 6.371 809 HD21 LEU 37 3HD2 LEU 37 0.506 16.067 6.847 810 HD22 LEU 37 1HD2 LEU 37 0.277 15.448 5.212 811 HD23 LEU 37 2HD2 LEU 37 1.903 15.788 5.806 812 H MET 38 H MET 38 4.289 12.780 7.545 813 HA MET 38 HA MET 38 3.916 11.024 5.334 814 HB2 MET 38 1HB MET 38 5.498 12.893 5.259 815 HB3 MET 38 2HB MET 38 6.464 12.128 6.530 816 HG2 MET 38 1HG MET 38 7.674 11.308 4.838 817 HG3 MET 38 2HG MET 38 6.361 10.135 4.704 818 HE1 MET 38 3HE MET 38 4.336 10.372 3.149 819 HE2 MET 38 1HE MET 38 3.961 12.067 3.463 820 HE3 MET 38 2HE MET 38 4.198 11.510 1.807 821 H LYS 39 H LYS 39 5.407 10.705 8.514 822 HA LYS 39 HA LYS 39 6.660 8.243 8.195 823 HB2 LYS 39 1HB LYS 39 6.953 9.695 10.161 824 HB3 LYS 39 2HB LYS 39 5.300 9.320 10.672 825 HG2 LYS 39 1HG LYS 39 6.088 6.853 10.637 826 HG3 LYS 39 2HG LYS 39 7.714 7.558 10.667 827 HD2 LYS 39 1HD LYS 39 7.002 8.889 12.688 828 HD3 LYS 39 2HD LYS 39 5.521 7.914 12.704 829 HE2 LYS 39 1HE LYS 39 7.293 5.919 12.589 830 HE3 LYS 39 2HE LYS 39 8.312 7.144 13.360 831 HZ1 LYS 39 3HZ LYS 39 5.758 7.077 14.584 832 HZ2 LYS 39 1HZ LYS 39 7.280 6.820 15.277 833 HZ3 LYS 39 2HZ LYS 39 6.438 5.528 14.582 834 H LEU 40 H LEU 40 3.294 9.020 8.576 835 HA LEU 40 HA LEU 40 2.414 6.421 9.331 836 HG LEU 40 HG LEU 40 1.189 8.286 10.901 837 HB2 LEU 40 1HB LEU 40 1.192 8.983 8.549 838 HB3 LEU 40 2HB LEU 40 0.245 7.544 8.132 839 HD11 LEU 40 1HD1 LEU 40 -1.189 8.956 9.351 840 HD12 LEU 40 2HD1 LEU 40 -0.557 9.675 10.832 841 HD13 LEU 40 3HD1 LEU 40 -1.548 8.219 10.913 842 HD21 LEU 40 3HD2 LEU 40 -0.914 6.323 10.739 843 HD22 LEU 40 1HD2 LEU 40 0.641 6.238 11.567 844 HD23 LEU 40 2HD2 LEU 40 0.521 5.780 9.868 845 H CYS 41 H CYS 41 2.546 8.153 6.235 846 HA CYS 41 HA CYS 41 1.494 5.956 4.736 847 HG CYS 41 HG CYS 41 3.424 6.515 1.908 848 HB2 CYS 41 1HB CYS 41 1.158 8.167 3.893 849 HB3 CYS 41 2HB CYS 41 2.899 8.498 3.906 850 H GLU 42 H GLU 42 4.652 6.974 5.752 851 HA GLU 42 HA GLU 42 6.287 5.725 3.897 852 HE2 GLU 42 HE2 GLU 42 9.535 7.523 2.706 853 HB2 GLU 42 1HB GLU 42 6.579 6.341 6.819 854 HB3 GLU 42 2HB GLU 42 7.834 5.413 5.983 855 HG2 GLU 42 1HG GLU 42 6.896 8.006 4.827 856 HG3 GLU 42 2HG GLU 42 8.030 7.999 6.185 857 H GLU 43 H GLU 43 4.299 4.346 6.374 858 HA GLU 43 HA GLU 43 5.525 1.889 6.792 859 HE2 GLU 43 HE2 GLU 43 4.711 0.469 10.266 860 HB2 GLU 43 1HB GLU 43 2.553 2.447 6.643 861 HB3 GLU 43 2HB GLU 43 3.317 1.061 7.437 862 HG2 GLU 43 1HG GLU 43 4.307 3.658 8.366 863 HG3 GLU 43 2HG GLU 43 2.587 3.376 8.671 864 H ALA 44 H ALA 44 3.558 3.005 4.118 865 HA ALA 44 HA ALA 44 2.859 0.642 2.887 866 HB1 ALA 44 3HB ALA 44 3.362 2.146 0.725 867 HB2 ALA 44 1HB ALA 44 1.944 2.367 1.751 868 HB3 ALA 44 2HB ALA 44 3.357 3.401 1.964 869 H ALA 45 H ALA 45 5.926 2.403 2.660 870 HA ALA 45 HA ALA 45 7.092 0.550 0.813 871 HB1 ALA 45 3HB ALA 45 7.812 3.067 2.015 872 HB2 ALA 45 1HB ALA 45 9.164 1.936 2.065 873 HB3 ALA 45 2HB ALA 45 8.396 2.325 0.526 874 H LYS 46 H LYS 46 6.754 0.714 4.238 875 HA LYS 46 HA LYS 46 8.959 -1.018 4.860 876 HB2 LYS 46 1HB LYS 46 7.096 0.600 6.299 877 HB3 LYS 46 2HB LYS 46 7.022 -1.047 6.945 878 HG2 LYS 46 1HG LYS 46 9.288 -1.043 7.557 879 HG3 LYS 46 2HG LYS 46 9.632 0.380 6.558 880 HD2 LYS 46 1HD LYS 46 7.679 0.538 8.840 881 HD3 LYS 46 2HD LYS 46 9.424 0.676 9.118 882 HE2 LYS 46 1HE LYS 46 8.860 2.360 6.931 883 HE3 LYS 46 2HE LYS 46 7.578 2.642 8.120 884 HZ1 LYS 46 3HZ LYS 46 9.634 4.046 8.354 885 HZ2 LYS 46 1HZ LYS 46 10.448 2.649 8.853 886 HZ3 LYS 46 2HZ LYS 46 9.142 3.233 9.755 887 H LYS 47 H LYS 47 5.420 -1.401 4.800 888 HA LYS 47 HA LYS 47 5.492 -4.191 5.352 889 HB2 LYS 47 1HB LYS 47 3.319 -2.458 4.150 890 HB3 LYS 47 2HB LYS 47 3.098 -4.139 4.666 891 HG2 LYS 47 1HG LYS 47 3.903 -1.855 6.471 892 HG3 LYS 47 2HG LYS 47 2.274 -2.539 6.328 893 HD2 LYS 47 1HD LYS 47 2.917 -3.823 8.068 894 HD3 LYS 47 2HD LYS 47 3.711 -4.783 6.809 895 HE2 LYS 47 1HE LYS 47 5.762 -3.330 7.149 896 HE3 LYS 47 2HE LYS 47 4.944 -2.683 8.579 897 HZ1 LYS 47 3HZ LYS 47 6.519 -4.882 8.540 898 HZ2 LYS 47 1HZ LYS 47 4.968 -5.556 8.489 899 HZ3 LYS 47 2HZ LYS 47 5.395 -4.511 9.749 900 H ALA 48 H ALA 48 4.798 -2.371 2.365 901 HA ALA 48 HA ALA 48 4.503 -4.494 0.625 902 HB1 ALA 48 3HB ALA 48 4.122 -2.070 0.118 903 HB2 ALA 48 1HB ALA 48 5.866 -1.904 -0.086 904 HB3 ALA 48 2HB ALA 48 4.951 -2.971 -1.152 905 H GLU 49 H GLU 49 7.418 -3.175 2.011 906 HA GLU 49 HA GLU 49 9.203 -4.504 0.199 907 HE2 GLU 49 HE2 GLU 49 14.183 -2.340 1.370 908 HB2 GLU 49 1HB GLU 49 9.945 -2.474 1.258 909 HB3 GLU 49 2HB GLU 49 9.655 -3.158 2.865 910 HG2 GLU 49 1HG GLU 49 11.562 -4.391 2.859 911 HG3 GLU 49 2HG GLU 49 11.538 -4.607 1.103 912 H GLU 50 H GLU 50 8.190 -5.037 3.565 913 HA GLU 50 HA GLU 50 9.727 -7.269 4.135 914 HE2 GLU 50 HE2 GLU 50 10.891 -5.470 7.671 915 HB2 GLU 50 1HB GLU 50 7.800 -5.840 5.453 916 HB3 GLU 50 2HB GLU 50 6.987 -7.389 5.189 917 HG2 GLU 50 1HG GLU 50 7.985 -8.064 7.058 918 HG3 GLU 50 2HG GLU 50 9.454 -8.169 6.079 919 H LEU 51 H LEU 51 6.629 -7.054 2.460 920 HA LEU 51 HA LEU 51 6.242 -9.870 2.257 921 HG LEU 51 HG LEU 51 4.294 -8.502 3.281 922 HB2 LEU 51 1HB LEU 51 5.010 -7.464 0.954 923 HB3 LEU 51 2HB LEU 51 4.630 -9.097 0.381 924 HD11 LEU 51 1HD1 LEU 51 1.828 -8.017 1.982 925 HD12 LEU 51 2HD1 LEU 51 3.036 -6.964 1.247 926 HD13 LEU 51 3HD1 LEU 51 2.771 -6.920 2.990 927 HD21 LEU 51 3HD2 LEU 51 3.697 -10.659 2.982 928 HD22 LEU 51 1HD2 LEU 51 3.329 -10.436 1.272 929 HD23 LEU 51 2HD2 LEU 51 2.161 -9.939 2.498 930 H PHE 52 H PHE 52 7.526 -7.388 0.084 931 HA PHE 52 HA PHE 52 7.855 -8.932 -2.204 932 HD1 PHE 52 HD2 PHE 52 8.547 -7.935 -4.509 933 HD2 PHE 52 HD1 PHE 52 11.654 -6.625 -1.912 934 HE1 PHE 52 HE2 PHE 52 10.167 -8.142 -6.349 935 HE2 PHE 52 HE1 PHE 52 13.279 -6.829 -3.748 936 HZ PHE 52 HZ PHE 52 12.537 -7.589 -5.969 937 HB2 PHE 52 1HB PHE 52 8.151 -6.553 -2.311 938 HB3 PHE 52 2HB PHE 52 9.481 -6.615 -1.152 939 H LYS 53 H LYS 53 9.625 -8.942 0.764 940 HA LYS 53 HA LYS 53 12.019 -10.132 -0.178 941 HB2 LYS 53 1HB LYS 53 12.086 -9.053 1.936 942 HB3 LYS 53 2HB LYS 53 10.724 -10.010 2.542 943 HG2 LYS 53 1HG LYS 53 13.148 -11.498 1.693 944 HG3 LYS 53 2HG LYS 53 13.245 -10.544 3.184 945 HD2 LYS 53 1HD LYS 53 10.768 -11.963 3.196 946 HD3 LYS 53 2HD LYS 53 12.069 -13.099 2.799 947 HE2 LYS 53 1HE LYS 53 11.756 -13.029 5.204 948 HE3 LYS 53 2HE LYS 53 13.323 -12.327 4.775 949 HZ1 LYS 53 3HZ LYS 53 10.935 -10.628 5.156 950 HZ2 LYS 53 1HZ LYS 53 12.566 -10.181 5.201 951 HZ3 LYS 53 2HZ LYS 53 11.905 -11.092 6.463 952 H LEU 54 H LEU 54 9.093 -11.493 1.314 953 HA LEU 54 HA LEU 54 9.992 -14.192 1.110 954 HG LEU 54 HG LEU 54 8.452 -15.756 2.401 955 HB2 LEU 54 1HB LEU 54 7.827 -12.798 2.293 956 HB3 LEU 54 2HB LEU 54 7.142 -14.028 1.214 957 HD11 LEU 54 1HD1 LEU 54 9.245 -13.431 4.143 958 HD12 LEU 54 2HD1 LEU 54 10.304 -14.493 3.215 959 HD13 LEU 54 3HD1 LEU 54 9.426 -15.123 4.610 960 HD21 LEU 54 3HD2 LEU 54 6.626 -16.025 3.631 961 HD22 LEU 54 1HD2 LEU 54 6.171 -14.355 3.295 962 HD23 LEU 54 2HD2 LEU 54 7.139 -14.734 4.720 963 H ALA 55 H ALA 55 8.408 -11.991 -1.025 964 HA ALA 55 HA ALA 55 7.039 -13.708 -2.730 965 HB1 ALA 55 3HB ALA 55 7.900 -10.981 -2.760 966 HB2 ALA 55 1HB ALA 55 8.186 -11.708 -4.342 967 HB3 ALA 55 2HB ALA 55 6.570 -11.739 -3.636 968 H GLU 56 H GLU 56 10.440 -13.220 -2.324 969 HA GLU 56 HA GLU 56 11.207 -14.335 -4.857 970 HE2 GLU 56 HE2 GLU 56 15.250 -10.487 -3.778 971 HB2 GLU 56 1HB GLU 56 13.024 -14.209 -2.469 972 HB3 GLU 56 2HB GLU 56 13.416 -14.006 -4.184 973 HG2 GLU 56 1HG GLU 56 12.140 -11.857 -4.154 974 HG3 GLU 56 2HG GLU 56 11.994 -12.048 -2.400 975 H GLU 57 H GLU 57 10.474 -15.557 -1.701 976 HA GLU 57 HA GLU 57 11.830 -18.029 -1.857 977 HE2 GLU 57 HE2 GLU 57 13.451 -19.518 0.918 978 HB2 GLU 57 1HB GLU 57 10.964 -17.092 0.248 979 HB3 GLU 57 2HB GLU 57 9.311 -17.337 -0.336 980 HG2 GLU 57 1HG GLU 57 9.891 -19.096 1.202 981 HG3 GLU 57 2HG GLU 57 9.714 -19.757 -0.430 982 H ARG 58 H ARG 58 8.463 -17.142 -2.588 983 HA ARG 58 HA ARG 58 7.843 -19.767 -3.584 984 HE ARG 58 HE ARG 58 7.243 -17.672 -1.326 985 HB2 ARG 58 1HB ARG 58 5.712 -18.577 -4.367 986 HB3 ARG 58 2HB ARG 58 6.010 -18.661 -2.623 987 HG2 ARG 58 1HG ARG 58 7.189 -16.272 -3.713 988 HG3 ARG 58 2HG ARG 58 5.476 -16.383 -4.150 989 HD2 ARG 58 1HD ARG 58 6.035 -15.216 -1.947 990 HD3 ARG 58 2HD ARG 58 4.787 -16.470 -1.910 991 HH11 ARG 58 1HH1 ARG 58 5.023 -15.374 0.058 992 HH12 ARG 58 2HH1 ARG 58 5.453 -15.746 1.694 993 HH21 ARG 58 1HH2 ARG 58 7.819 -18.170 0.825 994 HH22 ARG 58 2HH2 ARG 58 7.045 -17.335 2.129 995 H LEU 59 H LEU 59 9.313 -16.988 -4.859 996 HA LEU 59 HA LEU 59 8.572 -17.584 -7.613 997 HG LEU 59 HG LEU 59 11.127 -15.659 -8.612 998 HB2 LEU 59 1HB LEU 59 8.604 -15.258 -6.998 999 HB3 LEU 59 2HB LEU 59 10.261 -15.411 -6.388 1000 HD11 LEU 59 1HD1 LEU 59 8.237 -15.850 -9.385 1001 HD12 LEU 59 2HD1 LEU 59 9.560 -16.954 -9.757 1002 HD13 LEU 59 3HD1 LEU 59 9.476 -15.380 -10.549 1003 HD21 LEU 59 3HD2 LEU 59 9.136 -13.407 -8.385 1004 HD22 LEU 59 1HD2 LEU 59 10.396 -13.502 -9.616 1005 HD23 LEU 59 2HD2 LEU 59 10.835 -13.386 -7.911 1006 H LYS 60 H LYS 60 11.736 -16.679 -6.282 1007 HA LYS 60 HA LYS 60 12.946 -18.787 -7.927 1008 HB2 LYS 60 1HB LYS 60 15.087 -17.509 -7.463 1009 HB3 LYS 60 2HB LYS 60 13.880 -16.674 -8.455 1010 HG2 LYS 60 1HG LYS 60 13.468 -16.078 -5.664 1011 HG3 LYS 60 2HG LYS 60 15.135 -15.723 -6.150 1012 HD2 LYS 60 1HD LYS 60 13.133 -14.847 -8.106 1013 HD3 LYS 60 2HD LYS 60 12.985 -14.063 -6.523 1014 HE2 LYS 60 1HE LYS 60 15.205 -13.227 -6.608 1015 HE3 LYS 60 2HE LYS 60 15.609 -14.271 -7.980 1016 HZ1 LYS 60 3HZ LYS 60 14.004 -13.004 -9.324 1017 HZ2 LYS 60 1HZ LYS 60 15.268 -12.039 -8.745 1018 HZ3 LYS 60 2HZ LYS 60 13.743 -11.961 -8.018 1019 H LYS 61 H LYS 61 15.285 -19.294 -6.791 1020 HA LYS 61 HA LYS 61 14.615 -20.252 -4.084 1021 HB2 LYS 61 1HB LYS 61 14.848 -21.959 -6.010 1022 HB3 LYS 61 2HB LYS 61 16.583 -21.620 -5.901 1023 HG2 LYS 61 1HG LYS 61 16.289 -22.154 -3.378 1024 HG3 LYS 61 2HG LYS 61 14.793 -22.943 -3.909 1025 HD2 LYS 61 1HD LYS 61 16.363 -24.072 -5.687 1026 HD3 LYS 61 2HD LYS 61 17.630 -23.649 -4.521 1027 HE2 LYS 61 1HE LYS 61 16.719 -25.006 -2.840 1028 HE3 LYS 61 2HE LYS 61 15.144 -25.078 -3.644 1029 HZ1 LYS 61 3HZ LYS 61 17.636 -26.478 -4.403 1030 HZ2 LYS 61 1HZ LYS 61 16.337 -26.319 -5.475 1031 HZ3 LYS 61 2HZ LYS 61 16.134 -27.150 -4.016 1032 H LEU 62 H LEU 62 15.553 -18.512 -3.011 1033 HA LEU 62 HA LEU 62 18.108 -17.465 -3.555 1034 HG LEU 62 HG LEU 62 15.687 -16.234 -3.172 1035 HB2 LEU 62 1HB LEU 62 16.584 -17.506 -0.943 1036 HB3 LEU 62 2HB LEU 62 17.968 -16.467 -1.325 1037 HD11 LEU 62 1HD1 LEU 62 15.407 -15.814 -0.253 1038 HD12 LEU 62 2HD1 LEU 62 14.200 -16.259 -1.458 1039 HD13 LEU 62 3HD1 LEU 62 14.732 -14.583 -1.321 1040 HD21 LEU 62 3HD2 LEU 62 16.874 -13.948 -1.715 1041 HD22 LEU 62 1HD2 LEU 62 16.456 -14.117 -3.420 1042 HD23 LEU 62 2HD2 LEU 62 17.938 -14.846 -2.798 1043 HC1 HLT 101 HC1 HLT 101 -0.833 1.363 -1.529 Start of MODEL 4 1 HA MET 1 HA MET 1 -16.231 22.745 4.617 2 H1 MET 1 1H MET 1 -14.395 24.098 6.469 3 HB2 MET 1 1HB MET 1 -15.459 25.561 5.084 4 HB3 MET 1 2HB MET 1 -15.660 25.094 3.388 5 HG2 MET 1 1HG MET 1 -17.820 25.557 3.683 6 HG3 MET 1 2HG MET 1 -17.884 24.013 4.535 7 HE1 MET 1 3HE MET 1 -20.241 25.963 6.599 8 HE2 MET 1 1HE MET 1 -19.915 24.718 5.393 9 HE3 MET 1 2HE MET 1 -19.529 24.425 7.089 10 H LYS 2 H LYS 2 -15.343 21.504 3.116 11 HA LYS 2 HA LYS 2 -12.524 21.750 2.482 12 HB2 LYS 2 1HB LYS 2 -12.765 19.671 1.300 13 HB3 LYS 2 2HB LYS 2 -13.603 19.534 2.854 14 HG2 LYS 2 1HG LYS 2 -15.432 20.482 0.852 15 HG3 LYS 2 2HG LYS 2 -14.625 19.004 0.299 16 HD2 LYS 2 1HD LYS 2 -15.255 17.858 2.368 17 HD3 LYS 2 2HD LYS 2 -16.039 19.339 2.946 18 HE2 LYS 2 1HE LYS 2 -17.093 18.824 0.372 19 HE3 LYS 2 2HE LYS 2 -17.088 17.286 1.247 20 HZ1 LYS 2 3HZ LYS 2 -18.043 18.928 3.119 21 HZ2 LYS 2 1HZ LYS 2 -19.021 18.055 2.049 22 HZ3 LYS 2 2HZ LYS 2 -18.653 19.675 1.728 23 H LYS 3 H LYS 3 -11.827 21.631 0.177 24 HA LYS 3 HA LYS 3 -13.670 22.955 -1.676 25 HB2 LYS 3 1HB LYS 3 -12.453 24.799 -0.764 26 HB3 LYS 3 2HB LYS 3 -10.915 23.935 -0.927 27 HG2 LYS 3 1HG LYS 3 -10.670 24.483 -3.093 28 HG3 LYS 3 2HG LYS 3 -12.400 24.302 -3.434 29 HD2 LYS 3 1HD LYS 3 -12.884 26.463 -2.472 30 HD3 LYS 3 2HD LYS 3 -11.202 26.633 -1.940 31 HE2 LYS 3 1HE LYS 3 -10.448 27.196 -4.008 32 HE3 LYS 3 2HE LYS 3 -11.600 26.125 -4.820 33 HZ1 LYS 3 3HZ LYS 3 -12.020 28.511 -5.210 34 HZ2 LYS 3 1HZ LYS 3 -12.343 28.708 -3.561 35 HZ3 LYS 3 2HZ LYS 3 -13.337 27.716 -4.504 36 H LEU 4 H LEU 4 -10.190 22.223 -1.760 37 HA LEU 4 HA LEU 4 -10.725 20.345 -3.966 38 HG LEU 4 HG LEU 4 -7.233 21.320 -3.444 39 HB2 LEU 4 1HB LEU 4 -8.960 21.161 -5.233 40 HB3 LEU 4 2HB LEU 4 -9.708 22.624 -4.570 41 HD11 LEU 4 1HD1 LEU 4 -7.467 23.760 -5.197 42 HD12 LEU 4 2HD1 LEU 4 -6.863 22.187 -5.714 43 HD13 LEU 4 3HD1 LEU 4 -5.987 23.109 -4.493 44 HD21 LEU 4 3HD2 LEU 4 -8.227 22.550 -1.723 45 HD22 LEU 4 1HD2 LEU 4 -8.753 23.829 -2.817 46 HD23 LEU 4 2HD2 LEU 4 -7.044 23.659 -2.417 47 H ARG 5 H ARG 5 -9.647 20.629 -0.889 48 HA ARG 5 HA ARG 5 -7.275 19.101 -0.866 49 HE ARG 5 HE ARG 5 -5.037 21.302 2.315 50 HB2 ARG 5 1HB ARG 5 -9.289 19.979 1.128 51 HB3 ARG 5 2HB ARG 5 -8.309 18.572 1.566 52 HG2 ARG 5 1HG ARG 5 -7.187 21.237 0.695 53 HG3 ARG 5 2HG ARG 5 -7.377 20.710 2.377 54 HD2 ARG 5 1HD ARG 5 -5.937 18.721 1.839 55 HD3 ARG 5 2HD ARG 5 -5.635 19.460 0.260 56 HH11 ARG 5 1HH1 ARG 5 -3.839 18.394 0.824 57 HH12 ARG 5 2HH1 ARG 5 -2.183 18.723 1.209 58 HH21 ARG 5 1HH2 ARG 5 -2.860 21.748 2.827 59 HH22 ARG 5 2HH2 ARG 5 -1.627 20.632 2.349 60 H GLU 6 H GLU 6 -10.647 18.238 -1.023 61 HA GLU 6 HA GLU 6 -10.547 15.588 -0.169 62 HE2 GLU 6 HE2 GLU 6 -16.268 15.306 -0.325 63 HB2 GLU 6 1HB GLU 6 -12.394 17.293 -1.573 64 HB3 GLU 6 2HB GLU 6 -12.368 15.689 -2.319 65 HG2 GLU 6 1HG GLU 6 -12.637 14.777 0.065 66 HG3 GLU 6 2HG GLU 6 -13.095 16.434 0.488 67 H GLU 7 H GLU 7 -9.481 17.051 -3.136 68 HA GLU 7 HA GLU 7 -9.428 14.872 -4.852 69 HE2 GLU 7 HE2 GLU 7 -9.552 17.853 -8.954 70 HB2 GLU 7 1HB GLU 7 -7.383 17.095 -4.637 71 HB3 GLU 7 2HB GLU 7 -7.622 16.038 -6.037 72 HG2 GLU 7 1HG GLU 7 -10.055 17.417 -5.167 73 HG3 GLU 7 2HG GLU 7 -8.755 18.493 -5.697 74 H ALA 8 H ALA 8 -7.224 15.754 -2.263 75 HA ALA 8 HA ALA 8 -5.221 13.829 -2.910 76 HB1 ALA 8 3HB ALA 8 -4.242 15.368 -1.589 77 HB2 ALA 8 1HB ALA 8 -5.737 15.733 -0.724 78 HB3 ALA 8 2HB ALA 8 -4.791 14.307 -0.291 79 H ALA 9 H ALA 9 -8.195 13.752 -1.121 80 HA ALA 9 HA ALA 9 -7.743 11.513 0.502 81 HB1 ALA 9 3HB ALA 9 -10.424 12.079 -0.700 82 HB2 ALA 9 1HB ALA 9 -10.024 11.501 0.919 83 HB3 ALA 9 2HB ALA 9 -9.715 13.182 0.479 84 H LYS 10 H LYS 10 -8.869 11.779 -2.837 85 HA LYS 10 HA LYS 10 -9.589 9.113 -3.256 86 HB2 LYS 10 1HB LYS 10 -8.320 10.927 -5.316 87 HB3 LYS 10 2HB LYS 10 -9.434 9.580 -5.604 88 HG2 LYS 10 1HG LYS 10 -11.042 11.020 -4.085 89 HG3 LYS 10 2HG LYS 10 -9.999 12.336 -4.654 90 HD2 LYS 10 1HD LYS 10 -10.880 10.474 -6.760 91 HD3 LYS 10 2HD LYS 10 -12.178 11.403 -5.990 92 HE2 LYS 10 1HE LYS 10 -10.468 13.409 -6.350 93 HE3 LYS 10 2HE LYS 10 -9.888 12.344 -7.639 94 HZ1 LYS 10 3HZ LYS 10 -12.025 14.058 -7.773 95 HZ2 LYS 10 1HZ LYS 10 -12.729 12.524 -7.651 96 HZ3 LYS 10 2HZ LYS 10 -11.629 12.853 -8.893 97 H LEU 11 H LEU 11 -6.460 10.654 -3.180 98 HA LEU 11 HA LEU 11 -4.880 8.837 -4.526 99 HG LEU 11 HG LEU 11 -4.931 11.925 -3.510 100 HB2 LEU 11 1HB LEU 11 -4.156 10.220 -1.939 101 HB3 LEU 11 2HB LEU 11 -3.037 9.601 -3.166 102 HD11 LEU 11 1HD1 LEU 11 -1.976 11.731 -3.011 103 HD12 LEU 11 2HD1 LEU 11 -3.187 12.652 -2.119 104 HD13 LEU 11 3HD1 LEU 11 -2.717 13.155 -3.742 105 HD21 LEU 11 3HD2 LEU 11 -3.723 12.259 -5.641 106 HD22 LEU 11 1HD2 LEU 11 -4.648 10.757 -5.602 107 HD23 LEU 11 2HD2 LEU 11 -2.898 10.721 -5.386 108 H PHE 12 H PHE 12 -5.982 8.719 -1.157 109 HA PHE 12 HA PHE 12 -4.627 6.271 -0.578 110 HD1 PHE 12 HD2 PHE 12 -3.262 6.705 0.888 111 HD2 PHE 12 HD1 PHE 12 -6.192 9.484 2.234 112 HE1 PHE 12 HE2 PHE 12 -1.491 8.072 1.910 113 HE2 PHE 12 HE1 PHE 12 -4.425 10.856 3.258 114 HZ PHE 12 HZ PHE 12 -2.071 10.150 3.098 115 HB2 PHE 12 1HB PHE 12 -6.851 7.742 0.855 116 HB3 PHE 12 2HB PHE 12 -6.070 6.291 1.485 117 H GLU 13 H GLU 13 -7.691 7.123 -1.943 118 HA GLU 13 HA GLU 13 -9.175 4.818 -1.406 119 HE2 GLU 13 HE2 GLU 13 -12.585 8.305 -4.057 120 HB2 GLU 13 1HB GLU 13 -9.567 7.150 -2.835 121 HB3 GLU 13 2HB GLU 13 -9.605 5.898 -4.088 122 HG2 GLU 13 1HG GLU 13 -11.488 4.889 -3.239 123 HG3 GLU 13 2HG GLU 13 -11.208 5.514 -1.608 124 H GLU 14 H GLU 14 -6.800 5.494 -3.921 125 HA GLU 14 HA GLU 14 -7.234 3.046 -5.333 126 HE2 GLU 14 HE2 GLU 14 -4.167 6.689 -8.572 127 HB2 GLU 14 1HB GLU 14 -4.745 4.754 -5.430 128 HB3 GLU 14 2HB GLU 14 -5.372 3.669 -6.682 129 HG2 GLU 14 1HG GLU 14 -7.405 5.195 -6.785 130 HG3 GLU 14 2HG GLU 14 -6.449 6.334 -5.828 131 H TRP 15 H TRP 15 -5.069 4.114 -2.786 132 HA TRP 15 HA TRP 15 -3.201 2.062 -2.813 133 HD1 TRP 15 HD1 TRP 15 -2.814 4.567 -3.458 134 HE1 TRP 15 HE1 TRP 15 -0.674 5.987 -3.303 135 HE3 TRP 15 HE3 TRP 15 -1.571 3.629 1.410 136 HZ2 TRP 15 HZ2 TRP 15 1.284 6.627 -1.371 137 HZ3 TRP 15 HZ3 TRP 15 0.451 4.684 2.335 138 HH2 TRP 15 HH2 TRP 15 1.847 6.150 0.971 139 HB2 TRP 15 1HB TRP 15 -4.329 3.780 -0.613 140 HB3 TRP 15 2HB TRP 15 -3.155 2.514 -0.249 141 H LYS 16 H LYS 16 -6.232 2.228 -0.943 142 HA LYS 16 HA LYS 16 -6.005 -0.433 0.043 143 HB2 LYS 16 1HB LYS 16 -7.285 1.201 1.277 144 HB3 LYS 16 2HB LYS 16 -8.361 1.455 -0.107 145 HG2 LYS 16 1HG LYS 16 -8.263 -1.336 0.711 146 HG3 LYS 16 2HG LYS 16 -8.796 -0.255 2.010 147 HD2 LYS 16 1HD LYS 16 -9.975 0.193 -0.682 148 HD3 LYS 16 2HD LYS 16 -10.475 -1.265 0.193 149 HE2 LYS 16 1HE LYS 16 -10.442 1.238 1.774 150 HE3 LYS 16 2HE LYS 16 -11.655 1.142 0.490 151 HZ1 LYS 16 3HZ LYS 16 -12.313 -1.051 1.456 152 HZ2 LYS 16 1HZ LYS 16 -12.633 0.283 2.447 153 HZ3 LYS 16 2HZ LYS 16 -11.308 -0.715 2.774 154 H LYS 17 H LYS 17 -7.287 0.980 -2.847 155 HA LYS 17 HA LYS 17 -9.011 -1.147 -3.597 156 HB2 LYS 17 1HB LYS 17 -8.207 1.381 -4.648 157 HB3 LYS 17 2HB LYS 17 -7.993 0.160 -5.913 158 HG2 LYS 17 1HG LYS 17 -10.476 -0.438 -4.833 159 HG3 LYS 17 2HG LYS 17 -10.422 1.334 -4.866 160 HD2 LYS 17 1HD LYS 17 -11.031 1.166 -7.014 161 HD3 LYS 17 2HD LYS 17 -9.363 0.645 -7.312 162 HE2 LYS 17 1HE LYS 17 -9.940 -1.529 -7.616 163 HE3 LYS 17 2HE LYS 17 -11.219 -1.457 -6.396 164 HZ1 LYS 17 3HZ LYS 17 -12.733 -1.131 -7.964 165 HZ2 LYS 17 1HZ LYS 17 -11.541 -1.423 -9.128 166 HZ3 LYS 17 2HZ LYS 17 -11.872 0.161 -8.636 167 H LEU 18 H LEU 18 -5.812 -0.223 -4.886 168 HA LEU 18 HA LEU 18 -5.408 -2.492 -6.444 169 HG LEU 18 HG LEU 18 -4.978 -0.025 -7.182 170 HB2 LEU 18 1HB LEU 18 -3.413 -0.712 -5.039 171 HB3 LEU 18 2HB LEU 18 -2.978 -1.946 -6.234 172 HD11 LEU 18 1HD1 LEU 18 -3.962 1.764 -6.267 173 HD12 LEU 18 2HD1 LEU 18 -2.814 1.524 -7.584 174 HD13 LEU 18 3HD1 LEU 18 -2.453 0.897 -5.975 175 HD21 LEU 18 3HD2 LEU 18 -3.853 -1.718 -8.581 176 HD22 LEU 18 1HD2 LEU 18 -2.312 -0.914 -8.278 177 HD23 LEU 18 2HD2 LEU 18 -3.588 -0.072 -9.159 178 H ALA 19 H ALA 19 -5.154 -2.057 -3.023 179 HA ALA 19 HA ALA 19 -3.501 -4.326 -2.499 180 HB1 ALA 19 3HB ALA 19 -5.341 -3.382 -0.390 181 HB2 ALA 19 1HB ALA 19 -3.608 -3.710 -0.327 182 HB3 ALA 19 2HB ALA 19 -4.197 -2.199 -1.025 183 H GLU 20 H GLU 20 -6.922 -3.800 -2.915 184 HA GLU 20 HA GLU 20 -7.765 -6.270 -1.757 185 HE2 GLU 20 HE2 GLU 20 -12.580 -3.543 -2.487 186 HB2 GLU 20 1HB GLU 20 -9.099 -4.057 -2.280 187 HB3 GLU 20 2HB GLU 20 -9.386 -4.858 -3.832 188 HG2 GLU 20 1HG GLU 20 -10.330 -6.801 -2.637 189 HG3 GLU 20 2HG GLU 20 -10.115 -5.924 -1.114 190 H GLU 21 H GLU 21 -7.365 -5.148 -5.111 191 HA GLU 21 HA GLU 21 -8.109 -7.501 -6.398 192 HE2 GLU 21 HE2 GLU 21 -6.387 -2.509 -9.171 193 HB2 GLU 21 1HB GLU 21 -6.676 -6.681 -8.289 194 HB3 GLU 21 2HB GLU 21 -7.849 -5.503 -7.679 195 HG2 GLU 21 1HG GLU 21 -6.023 -4.486 -6.310 196 HG3 GLU 21 2HG GLU 21 -4.893 -5.567 -7.138 197 H ALA 22 H ALA 22 -4.900 -6.452 -5.296 198 HA ALA 22 HA ALA 22 -3.487 -8.703 -6.235 199 HB1 ALA 22 3HB ALA 22 -2.919 -6.621 -4.157 200 HB2 ALA 22 1HB ALA 22 -1.824 -7.983 -4.402 201 HB3 ALA 22 2HB ALA 22 -2.155 -6.867 -5.728 202 H ALA 23 H ALA 23 -5.284 -8.092 -3.291 203 HA ALA 23 HA ALA 23 -4.316 -10.345 -1.845 204 HB1 ALA 23 3HB ALA 23 -5.311 -9.193 -0.230 205 HB2 ALA 23 1HB ALA 23 -6.167 -8.193 -1.404 206 HB3 ALA 23 2HB ALA 23 -6.866 -9.724 -0.873 207 H LYS 24 H LYS 24 -7.321 -9.742 -3.657 208 HA LYS 24 HA LYS 24 -8.412 -12.314 -3.280 209 HB2 LYS 24 1HB LYS 24 -9.922 -11.742 -5.136 210 HB3 LYS 24 2HB LYS 24 -9.788 -10.422 -3.964 211 HG2 LYS 24 1HG LYS 24 -8.241 -9.239 -5.431 212 HG3 LYS 24 2HG LYS 24 -8.338 -10.567 -6.600 213 HD2 LYS 24 1HD LYS 24 -10.991 -9.941 -6.167 214 HD3 LYS 24 2HD LYS 24 -10.186 -8.363 -6.124 215 HE2 LYS 24 1HE LYS 24 -10.370 -8.426 -8.365 216 HE3 LYS 24 2HE LYS 24 -8.985 -9.523 -8.276 217 HZ1 LYS 24 3HZ LYS 24 -10.217 -11.195 -9.013 218 HZ2 LYS 24 1HZ LYS 24 -11.455 -10.087 -9.330 219 HZ3 LYS 24 2HZ LYS 24 -11.425 -10.923 -7.860 220 H LEU 25 H LEU 25 -6.273 -10.970 -5.729 221 HA LEU 25 HA LEU 25 -6.368 -13.289 -7.414 222 HG LEU 25 HG LEU 25 -6.853 -10.867 -8.795 223 HB2 LEU 25 1HB LEU 25 -4.892 -10.713 -7.355 224 HB3 LEU 25 2HB LEU 25 -4.138 -12.058 -8.230 225 HD11 LEU 25 1HD1 LEU 25 -5.916 -9.875 -10.686 226 HD12 LEU 25 2HD1 LEU 25 -4.461 -10.865 -10.602 227 HD13 LEU 25 3HD1 LEU 25 -4.724 -9.584 -9.419 228 HD21 LEU 25 3HD2 LEU 25 -5.821 -12.565 -10.857 229 HD22 LEU 25 1HD2 LEU 25 -7.341 -12.684 -9.971 230 HD23 LEU 25 2HD2 LEU 25 -5.888 -13.454 -9.334 231 H LEU 26 H LEU 26 -4.200 -12.054 -4.922 232 HA LEU 26 HA LEU 26 -2.029 -13.717 -5.212 233 HG LEU 26 HG LEU 26 -1.339 -11.367 -4.295 234 HB2 LEU 26 1HB LEU 26 -3.292 -12.262 -2.983 235 HB3 LEU 26 2HB LEU 26 -2.251 -13.614 -2.508 236 HD11 LEU 26 1HD1 LEU 26 -1.956 -11.188 -1.583 237 HD12 LEU 26 2HD1 LEU 26 -0.988 -10.063 -2.535 238 HD13 LEU 26 3HD1 LEU 26 -0.203 -11.370 -1.649 239 HD21 LEU 26 3HD2 LEU 26 0.898 -12.193 -3.624 240 HD22 LEU 26 1HD2 LEU 26 -0.033 -13.376 -4.542 241 HD23 LEU 26 2HD2 LEU 26 0.118 -13.539 -2.793 242 H GLU 27 H GLU 27 -5.045 -14.384 -3.460 243 HA GLU 27 HA GLU 27 -4.201 -17.119 -2.944 244 HE2 GLU 27 HE2 GLU 27 -7.690 -15.652 1.344 245 HB2 GLU 27 1HB GLU 27 -6.818 -15.749 -2.277 246 HB3 GLU 27 2HB GLU 27 -6.265 -17.314 -1.663 247 HG2 GLU 27 1HG GLU 27 -4.278 -16.059 -0.678 248 HG3 GLU 27 2HG GLU 27 -5.194 -14.587 -1.026 249 H GLY 28 H GLY 28 -5.777 -15.423 -5.385 250 HA2 GLY 28 1HA GLY 28 -6.792 -16.132 -7.322 251 HA3 GLY 28 2HA GLY 28 -6.313 -17.766 -6.890 252 H GLY 29 H GLY 29 -8.294 -15.780 -4.799 253 HA2 GLY 29 1HA GLY 29 -10.601 -15.813 -4.442 254 HA3 GLY 29 2HA GLY 29 -10.758 -17.013 -5.716 255 H GLY 30 H GLY 30 -8.381 -17.600 -3.297 256 HA2 GLY 30 1HA GLY 30 -9.212 -18.659 -1.118 257 HA3 GLY 30 2HA GLY 30 -10.109 -19.719 -2.196 258 H GLY 31 H GLY 31 -7.290 -19.360 -0.452 259 HA2 GLY 31 1HA GLY 31 -6.141 -21.701 -0.597 260 HA3 GLY 31 2HA GLY 31 -5.730 -21.120 -2.205 261 H GLY 32 H GLY 32 -3.500 -21.340 -1.605 262 HA2 GLY 32 1HA GLY 32 -1.563 -20.048 -1.272 263 HA3 GLY 32 2HA GLY 32 -2.509 -18.918 -0.314 264 H GLY 33 H GLY 33 -0.041 -19.709 0.566 265 HA2 GLY 33 1HA GLY 33 -0.225 -21.947 2.355 266 HA3 GLY 33 2HA GLY 33 1.085 -20.778 2.277 267 H GLY 34 H GLY 34 -2.175 -21.329 3.526 268 HA2 GLY 34 1HA GLY 34 -3.080 -20.701 5.554 269 HA3 GLY 34 2HA GLY 34 -1.514 -20.035 5.995 270 H GLY 35 H GLY 35 -3.600 -18.636 6.838 271 HA2 GLY 35 1HA GLY 35 -4.115 -16.530 4.855 272 HA3 GLY 35 2HA GLY 35 -5.015 -16.779 6.343 273 H GLU 36 H GLU 36 -2.352 -17.146 7.761 274 HA GLU 36 HA GLU 36 -2.113 -14.535 8.755 275 HE2 GLU 36 HE2 GLU 36 -0.506 -15.387 13.237 276 HB2 GLU 36 1HB GLU 36 -1.463 -16.412 10.112 277 HB3 GLU 36 2HB GLU 36 -0.236 -16.893 8.932 278 HG2 GLU 36 1HG GLU 36 1.277 -15.406 9.674 279 HG3 GLU 36 2HG GLU 36 0.052 -14.166 9.978 280 H LEU 37 H LEU 37 -0.197 -16.310 6.372 281 HA LEU 37 HA LEU 37 1.862 -14.458 6.025 282 HG LEU 37 HG LEU 37 1.918 -14.766 2.775 283 HB2 LEU 37 1HB LEU 37 2.008 -16.683 5.114 284 HB3 LEU 37 2HB LEU 37 0.612 -16.376 4.067 285 HD11 LEU 37 1HD1 LEU 37 3.387 -13.991 4.571 286 HD12 LEU 37 2HD1 LEU 37 4.305 -14.502 3.155 287 HD13 LEU 37 3HD1 LEU 37 4.210 -15.551 4.570 288 HD21 LEU 37 3HD2 LEU 37 3.549 -17.276 3.019 289 HD22 LEU 37 1HD2 LEU 37 3.192 -16.324 1.577 290 HD23 LEU 37 2HD2 LEU 37 1.921 -17.284 2.336 291 H MET 38 H MET 38 -1.218 -14.772 4.271 292 HA MET 38 HA MET 38 -0.766 -12.473 2.646 293 HB2 MET 38 1HB MET 38 -2.249 -14.316 1.961 294 HB3 MET 38 2HB MET 38 -3.353 -13.903 3.282 295 HG2 MET 38 1HG MET 38 -2.982 -11.517 1.866 296 HG3 MET 38 2HG MET 38 -3.156 -12.779 0.644 297 HE1 MET 38 3HE MET 38 -5.136 -12.787 4.290 298 HE2 MET 38 1HE MET 38 -4.470 -11.229 3.801 299 HE3 MET 38 2HE MET 38 -6.215 -11.487 3.780 300 H LYS 39 H LYS 39 -2.147 -13.024 5.788 301 HA LYS 39 HA LYS 39 -3.732 -10.769 6.113 302 HB2 LYS 39 1HB LYS 39 -3.345 -12.762 7.699 303 HB3 LYS 39 2HB LYS 39 -1.971 -11.828 8.311 304 HG2 LYS 39 1HG LYS 39 -4.050 -10.003 8.335 305 HG3 LYS 39 2HG LYS 39 -4.805 -11.525 8.840 306 HD2 LYS 39 1HD LYS 39 -3.639 -11.631 10.786 307 HD3 LYS 39 2HD LYS 39 -2.193 -10.892 10.074 308 HE2 LYS 39 1HE LYS 39 -2.760 -9.045 11.214 309 HE3 LYS 39 2HE LYS 39 -4.017 -8.841 9.984 310 HZ1 LYS 39 3HZ LYS 39 -5.642 -9.569 11.380 311 HZ2 LYS 39 1HZ LYS 39 -4.596 -8.893 12.526 312 HZ3 LYS 39 2HZ LYS 39 -4.608 -10.566 12.276 313 H LEU 40 H LEU 40 -0.269 -11.074 6.054 314 HA LEU 40 HA LEU 40 0.316 -8.563 7.271 315 HG LEU 40 HG LEU 40 1.487 -10.831 8.137 316 HB2 LEU 40 1HB LEU 40 1.893 -10.491 5.581 317 HB3 LEU 40 2HB LEU 40 2.563 -8.932 6.091 318 HD11 LEU 40 1HD1 LEU 40 2.926 -12.364 7.289 319 HD12 LEU 40 2HD1 LEU 40 4.080 -11.428 8.239 320 HD13 LEU 40 3HD1 LEU 40 3.936 -11.149 6.504 321 HD21 LEU 40 3HD2 LEU 40 3.514 -9.727 9.333 322 HD22 LEU 40 1HD2 LEU 40 2.020 -8.812 9.123 323 HD23 LEU 40 2HD2 LEU 40 3.389 -8.526 8.047 324 H CYS 41 H CYS 41 -0.304 -9.639 3.995 325 HA CYS 41 HA CYS 41 0.572 -7.244 2.719 326 HG CYS 41 HG CYS 41 1.974 -9.385 1.131 327 HB2 CYS 41 1HB CYS 41 -1.414 -9.268 1.676 328 HB3 CYS 41 2HB CYS 41 -0.433 -8.144 0.721 329 H GLU 42 H GLU 42 -2.536 -8.432 3.894 330 HA GLU 42 HA GLU 42 -4.165 -6.427 2.802 331 HE2 GLU 42 HE2 GLU 42 -8.316 -8.660 3.112 332 HB2 GLU 42 1HB GLU 42 -5.141 -8.436 3.705 333 HB3 GLU 42 2HB GLU 42 -4.489 -8.076 5.312 334 HG2 GLU 42 1HG GLU 42 -6.169 -6.697 5.835 335 HG3 GLU 42 2HG GLU 42 -6.182 -5.958 4.227 336 H GLU 43 H GLU 43 -2.024 -6.425 5.527 337 HA GLU 43 HA GLU 43 -3.054 -4.351 7.058 338 HE2 GLU 43 HE2 GLU 43 -1.869 -4.707 10.864 339 HB2 GLU 43 1HB GLU 43 -0.140 -4.979 6.526 340 HB3 GLU 43 2HB GLU 43 -0.764 -4.020 7.876 341 HG2 GLU 43 1HG GLU 43 -2.038 -6.619 7.742 342 HG3 GLU 43 2HG GLU 43 -0.276 -6.745 7.859 343 H ALA 44 H ALA 44 -1.464 -4.271 3.983 344 HA ALA 44 HA ALA 44 -0.467 -1.698 3.869 345 HB1 ALA 44 3HB ALA 44 -1.321 -1.935 1.359 346 HB2 ALA 44 1HB ALA 44 0.064 -2.836 1.977 347 HB3 ALA 44 2HB ALA 44 -1.515 -3.613 1.865 348 H ALA 45 H ALA 45 -3.787 -2.805 3.296 349 HA ALA 45 HA ALA 45 -4.772 -0.191 2.669 350 HB1 ALA 45 3HB ALA 45 -6.363 -1.475 1.799 351 HB2 ALA 45 1HB ALA 45 -5.797 -2.883 2.698 352 HB3 ALA 45 2HB ALA 45 -6.942 -1.765 3.438 353 H LYS 46 H LYS 46 -4.277 -2.009 5.569 354 HA LYS 46 HA LYS 46 -6.125 -0.649 7.235 355 HB2 LYS 46 1HB LYS 46 -4.264 -2.758 7.495 356 HB3 LYS 46 2HB LYS 46 -3.816 -1.541 8.701 357 HG2 LYS 46 1HG LYS 46 -6.678 -2.364 8.459 358 HG3 LYS 46 2HG LYS 46 -5.524 -3.427 9.285 359 HD2 LYS 46 1HD LYS 46 -5.740 -0.503 9.976 360 HD3 LYS 46 2HD LYS 46 -6.809 -1.716 10.705 361 HE2 LYS 46 1HE LYS 46 -5.227 -2.300 12.161 362 HE3 LYS 46 2HE LYS 46 -4.116 -2.661 10.831 363 HZ1 LYS 46 3HZ LYS 46 -3.833 -0.658 12.658 364 HZ2 LYS 46 1HZ LYS 46 -4.385 0.150 11.278 365 HZ3 LYS 46 2HZ LYS 46 -2.987 -0.798 11.200 366 H LYS 47 H LYS 47 -2.659 -0.194 6.608 367 HA LYS 47 HA LYS 47 -2.165 1.868 8.404 368 HB2 LYS 47 1HB LYS 47 -0.966 1.130 5.745 369 HB3 LYS 47 2HB LYS 47 -0.409 2.563 6.623 370 HG2 LYS 47 1HG LYS 47 -0.526 -0.040 8.074 371 HG3 LYS 47 2HG LYS 47 0.782 0.243 6.912 372 HD2 LYS 47 1HD LYS 47 1.877 1.318 8.532 373 HD3 LYS 47 2HD LYS 47 0.652 2.593 8.400 374 HE2 LYS 47 1HE LYS 47 0.320 2.152 10.594 375 HE3 LYS 47 2HE LYS 47 -0.669 0.831 9.956 376 HZ1 LYS 47 3HZ LYS 47 0.722 -0.670 10.785 377 HZ2 LYS 47 1HZ LYS 47 1.472 0.583 11.638 378 HZ3 LYS 47 2HZ LYS 47 2.083 0.097 10.138 379 H ALA 48 H ALA 48 -3.045 2.147 4.959 380 HA ALA 48 HA ALA 48 -3.251 4.945 4.915 381 HB1 ALA 48 3HB ALA 48 -3.835 2.753 3.133 382 HB2 ALA 48 1HB ALA 48 -5.070 4.008 3.025 383 HB3 ALA 48 2HB ALA 48 -3.374 4.413 2.760 384 H GLU 49 H GLU 49 -5.507 2.459 5.896 385 HA GLU 49 HA GLU 49 -7.806 4.159 5.949 386 HE2 GLU 49 HE2 GLU 49 -9.976 -1.165 5.860 387 HB2 GLU 49 1HB GLU 49 -7.149 1.382 6.743 388 HB3 GLU 49 2HB GLU 49 -8.480 2.149 7.624 389 HG2 GLU 49 1HG GLU 49 -9.467 2.734 5.359 390 HG3 GLU 49 2HG GLU 49 -8.272 1.620 4.679 391 H GLU 50 H GLU 50 -5.266 3.340 8.192 392 HA GLU 50 HA GLU 50 -6.569 4.297 10.538 393 HE2 GLU 50 HE2 GLU 50 -1.976 2.008 12.935 394 HB2 GLU 50 1HB GLU 50 -4.528 2.713 10.316 395 HB3 GLU 50 2HB GLU 50 -3.585 4.207 10.199 396 HG2 GLU 50 1HG GLU 50 -4.640 4.921 12.376 397 HG3 GLU 50 2HG GLU 50 -5.273 3.274 12.501 398 H LEU 51 H LEU 51 -4.067 5.689 8.420 399 HA LEU 51 HA LEU 51 -3.994 8.188 9.768 400 HG LEU 51 HG LEU 51 -3.661 6.369 6.639 401 HB2 LEU 51 1HB LEU 51 -2.771 8.967 7.734 402 HB3 LEU 51 2HB LEU 51 -2.091 7.526 8.510 403 HD11 LEU 51 1HD1 LEU 51 -3.342 7.591 4.534 404 HD12 LEU 51 2HD1 LEU 51 -2.683 8.955 5.436 405 HD13 LEU 51 3HD1 LEU 51 -4.364 8.475 5.666 406 HD21 LEU 51 3HD2 LEU 51 -1.567 5.535 6.600 407 HD22 LEU 51 1HD2 LEU 51 -0.817 7.113 6.842 408 HD23 LEU 51 2HD2 LEU 51 -1.375 6.638 5.237 409 H PHE 52 H PHE 52 -5.930 6.879 7.187 410 HA PHE 52 HA PHE 52 -6.881 9.207 6.000 411 HD1 PHE 52 HD2 PHE 52 -8.300 8.999 3.667 412 HD2 PHE 52 HD1 PHE 52 -10.539 6.926 6.634 413 HE1 PHE 52 HE2 PHE 52 -10.388 9.840 2.674 414 HE2 PHE 52 HE1 PHE 52 -12.631 7.763 5.645 415 HZ PHE 52 HZ PHE 52 -12.557 9.224 3.664 416 HB2 PHE 52 1HB PHE 52 -7.346 7.057 5.020 417 HB3 PHE 52 2HB PHE 52 -8.247 6.550 6.451 418 H LYS 53 H LYS 53 -7.613 7.804 9.081 419 HA LYS 53 HA LYS 53 -10.100 8.943 9.622 420 HB2 LYS 53 1HB LYS 53 -8.581 7.271 10.981 421 HB3 LYS 53 2HB LYS 53 -8.039 8.755 11.781 422 HG2 LYS 53 1HG LYS 53 -9.741 8.205 13.178 423 HG3 LYS 53 2HG LYS 53 -10.647 9.160 11.992 424 HD2 LYS 53 1HD LYS 53 -10.618 6.597 10.910 425 HD3 LYS 53 2HD LYS 53 -10.859 6.342 12.647 426 HE2 LYS 53 1HE LYS 53 -12.747 7.906 12.634 427 HE3 LYS 53 2HE LYS 53 -12.498 8.180 10.904 428 HZ1 LYS 53 3HZ LYS 53 -13.175 5.557 12.124 429 HZ2 LYS 53 1HZ LYS 53 -13.013 5.878 10.470 430 HZ3 LYS 53 2HZ LYS 53 -14.276 6.581 11.349 431 H LEU 54 H LEU 54 -6.892 10.197 10.560 432 HA LEU 54 HA LEU 54 -7.952 12.723 11.371 433 HG LEU 54 HG LEU 54 -6.530 11.610 13.346 434 HB2 LEU 54 1HB LEU 54 -5.282 11.456 11.177 435 HB3 LEU 54 2HB LEU 54 -5.327 13.226 11.103 436 HD11 LEU 54 1HD1 LEU 54 -4.452 12.724 14.523 437 HD12 LEU 54 2HD1 LEU 54 -3.774 12.632 12.898 438 HD13 LEU 54 3HD1 LEU 54 -4.320 11.164 13.710 439 HD21 LEU 54 3HD2 LEU 54 -6.638 13.710 14.510 440 HD22 LEU 54 1HD2 LEU 54 -7.453 13.879 12.955 441 HD23 LEU 54 2HD2 LEU 54 -5.832 14.538 13.177 442 H ALA 55 H ALA 55 -6.167 11.563 8.539 443 HA ALA 55 HA ALA 55 -5.814 14.002 7.236 444 HB1 ALA 55 3HB ALA 55 -5.035 11.519 6.690 445 HB2 ALA 55 1HB ALA 55 -6.398 11.619 5.573 446 HB3 ALA 55 2HB ALA 55 -5.079 12.786 5.462 447 H GLU 56 H GLU 56 -8.643 12.017 7.585 448 HA GLU 56 HA GLU 56 -10.157 12.980 5.422 449 HE2 GLU 56 HE2 GLU 56 -14.303 10.349 5.106 450 HB2 GLU 56 1HB GLU 56 -10.984 11.046 6.447 451 HB3 GLU 56 2HB GLU 56 -10.875 11.753 8.066 452 HG2 GLU 56 1HG GLU 56 -12.898 12.705 7.945 453 HG3 GLU 56 2HG GLU 56 -12.681 13.170 6.251 454 H GLU 57 H GLU 57 -9.538 14.267 8.616 455 HA GLU 57 HA GLU 57 -11.588 16.161 8.769 456 HE2 GLU 57 HE2 GLU 57 -10.083 17.085 13.890 457 HB2 GLU 57 1HB GLU 57 -10.058 15.511 10.631 458 HB3 GLU 57 2HB GLU 57 -8.781 16.454 9.849 459 HG2 GLU 57 1HG GLU 57 -9.956 18.497 10.175 460 HG3 GLU 57 2HG GLU 57 -11.409 17.635 10.703 461 H ARG 58 H ARG 58 -8.235 16.597 7.635 462 HA ARG 58 HA ARG 58 -8.777 19.240 6.653 463 HE ARG 58 HE ARG 58 -4.820 17.984 9.963 464 HB2 ARG 58 1HB ARG 58 -6.383 17.533 5.969 465 HB3 ARG 58 2HB ARG 58 -6.496 19.299 5.992 466 HG2 ARG 58 1HG ARG 58 -5.524 19.162 7.995 467 HG3 ARG 58 2HG ARG 58 -7.124 18.666 8.569 468 HD2 ARG 58 1HD ARG 58 -6.567 16.414 8.633 469 HD3 ARG 58 2HD ARG 58 -5.252 16.616 7.466 470 HH11 ARG 58 1HH1 ARG 58 -4.446 14.998 8.212 471 HH12 ARG 58 2HH1 ARG 58 -3.134 14.435 9.193 472 HH21 ARG 58 1HH2 ARG 58 -3.094 17.252 11.262 473 HH22 ARG 58 2HH2 ARG 58 -2.367 15.718 10.930 474 H LEU 59 H LEU 59 -8.760 16.015 5.343 475 HA LEU 59 HA LEU 59 -8.603 16.699 2.602 476 HG LEU 59 HG LEU 59 -7.079 14.554 3.612 477 HB2 LEU 59 1HB LEU 59 -9.496 14.298 4.148 478 HB3 LEU 59 2HB LEU 59 -9.845 14.401 2.413 479 HD11 LEU 59 1HD1 LEU 59 -7.729 12.359 4.018 480 HD12 LEU 59 2HD1 LEU 59 -6.920 12.264 2.455 481 HD13 LEU 59 3HD1 LEU 59 -8.681 12.262 2.537 482 HD21 LEU 59 3HD2 LEU 59 -6.928 15.623 1.567 483 HD22 LEU 59 1HD2 LEU 59 -8.170 14.613 0.828 484 HD23 LEU 59 2HD2 LEU 59 -6.566 13.950 1.140 485 H LYS 60 H LYS 60 -11.424 15.661 4.528 486 HA LYS 60 HA LYS 60 -13.111 17.290 2.743 487 HB2 LYS 60 1HB LYS 60 -14.862 15.443 3.682 488 HB3 LYS 60 2HB LYS 60 -13.991 15.295 2.147 489 HG2 LYS 60 1HG LYS 60 -12.698 14.250 4.622 490 HG3 LYS 60 2HG LYS 60 -14.027 13.332 3.890 491 HD2 LYS 60 1HD LYS 60 -12.078 14.253 1.920 492 HD3 LYS 60 2HD LYS 60 -11.369 13.202 3.159 493 HE2 LYS 60 1HE LYS 60 -12.178 11.925 1.208 494 HE3 LYS 60 2HE LYS 60 -13.016 11.487 2.703 495 HZ1 LYS 60 3HZ LYS 60 -14.887 12.823 2.053 496 HZ2 LYS 60 1HZ LYS 60 -14.524 11.744 0.802 497 HZ3 LYS 60 2HZ LYS 60 -14.081 13.371 0.670 498 H LYS 61 H LYS 61 -14.187 15.494 5.552 499 HA LYS 61 HA LYS 61 -13.976 17.394 7.543 500 HB2 LYS 61 1HB LYS 61 -15.776 18.254 5.555 501 HB3 LYS 61 2HB LYS 61 -16.772 17.732 6.924 502 HG2 LYS 61 1HG LYS 61 -14.552 19.311 7.857 503 HG3 LYS 61 2HG LYS 61 -15.459 20.178 6.607 504 HD2 LYS 61 1HD LYS 61 -17.517 19.941 7.820 505 HD3 LYS 61 2HD LYS 61 -16.746 18.860 8.994 506 HE2 LYS 61 1HE LYS 61 -15.709 20.561 10.109 507 HE3 LYS 61 2HE LYS 61 -15.533 21.539 8.646 508 HZ1 LYS 61 3HZ LYS 61 -17.126 22.706 9.767 509 HZ2 LYS 61 1HZ LYS 61 -17.819 21.334 10.473 510 HZ3 LYS 61 2HZ LYS 61 -18.116 21.689 8.846 511 H LEU 62 H LEU 62 -14.052 14.553 7.136 512 HA LEU 62 HA LEU 62 -14.883 12.632 8.040 513 HG LEU 62 HG LEU 62 -13.680 12.139 9.787 514 HB2 LEU 62 1HB LEU 62 -15.055 14.727 10.103 515 HB3 LEU 62 2HB LEU 62 -16.062 13.299 10.396 516 HD11 LEU 62 1HD1 LEU 62 -12.269 13.953 9.675 517 HD12 LEU 62 2HD1 LEU 62 -12.115 13.493 11.370 518 HD13 LEU 62 3HD1 LEU 62 -13.146 14.850 10.915 519 HD21 LEU 62 3HD2 LEU 62 -15.045 11.507 11.651 520 HD22 LEU 62 1HD2 LEU 62 -14.734 13.042 12.462 521 HD23 LEU 62 2HD2 LEU 62 -13.428 11.877 12.251 522 HA MET 1 HA MET 1 15.288 -22.094 -8.978 523 H1 MET 1 1H MET 1 14.368 -23.994 -6.934 524 HB2 MET 1 1HB MET 1 14.636 -24.979 -8.972 525 HB3 MET 1 2HB MET 1 14.104 -24.077 -10.400 526 HG2 MET 1 1HG MET 1 16.146 -24.464 -11.207 527 HG3 MET 1 2HG MET 1 16.664 -23.190 -10.098 528 HE1 MET 1 3HE MET 1 19.568 -25.451 -9.848 529 HE2 MET 1 1HE MET 1 18.822 -23.960 -10.423 530 HE3 MET 1 2HE MET 1 19.230 -24.141 -8.717 531 H LYS 2 H LYS 2 13.908 -20.566 -9.562 532 HA LYS 2 HA LYS 2 11.084 -20.819 -8.947 533 HB2 LYS 2 1HB LYS 2 10.906 -18.494 -9.532 534 HB3 LYS 2 2HB LYS 2 12.342 -18.711 -8.519 535 HG2 LYS 2 1HG LYS 2 13.061 -18.990 -11.287 536 HG3 LYS 2 2HG LYS 2 12.180 -17.473 -11.028 537 HD2 LYS 2 1HD LYS 2 13.712 -16.864 -9.220 538 HD3 LYS 2 2HD LYS 2 14.584 -18.392 -9.448 539 HE2 LYS 2 1HE LYS 2 14.439 -17.161 -11.991 540 HE3 LYS 2 2HE LYS 2 14.904 -15.905 -10.834 541 HZ1 LYS 2 3HZ LYS 2 16.483 -17.913 -10.064 542 HZ2 LYS 2 1HZ LYS 2 16.945 -16.732 -11.183 543 HZ3 LYS 2 2HZ LYS 2 16.382 -18.233 -11.722 544 H LYS 3 H LYS 3 9.462 -20.152 -10.601 545 HA LYS 3 HA LYS 3 10.234 -20.832 -13.345 546 HB2 LYS 3 1HB LYS 3 9.431 -22.921 -12.507 547 HB3 LYS 3 2HB LYS 3 8.027 -22.144 -11.757 548 HG2 LYS 3 1HG LYS 3 6.834 -22.127 -13.660 549 HG3 LYS 3 2HG LYS 3 8.251 -21.756 -14.658 550 HD2 LYS 3 1HD LYS 3 8.979 -24.056 -14.599 551 HD3 LYS 3 2HD LYS 3 7.688 -24.464 -13.455 552 HE2 LYS 3 1HE LYS 3 6.080 -24.519 -15.060 553 HE3 LYS 3 2HE LYS 3 6.823 -23.203 -15.981 554 HZ1 LYS 3 3HZ LYS 3 6.893 -25.376 -17.120 555 HZ2 LYS 3 1HZ LYS 3 7.890 -25.972 -15.890 556 HZ3 LYS 3 2HZ LYS 3 8.429 -24.709 -16.876 557 H LEU 4 H LEU 4 7.112 -20.326 -11.717 558 HA LEU 4 HA LEU 4 6.741 -17.910 -13.361 559 HG LEU 4 HG LEU 4 3.775 -19.208 -11.651 560 HB2 LEU 4 1HB LEU 4 4.560 -18.478 -13.903 561 HB3 LEU 4 2HB LEU 4 5.435 -20.014 -14.037 562 HD11 LEU 4 1HD1 LEU 4 3.083 -21.089 -13.902 563 HD12 LEU 4 2HD1 LEU 4 2.406 -19.477 -13.677 564 HD13 LEU 4 3HD1 LEU 4 2.096 -20.737 -12.483 565 HD21 LEU 4 3HD2 LEU 4 5.345 -20.776 -10.920 566 HD22 LEU 4 1HD2 LEU 4 5.269 -21.692 -12.426 567 HD23 LEU 4 2HD2 LEU 4 3.916 -21.740 -11.295 568 H ARG 5 H ARG 5 7.093 -19.051 -10.314 569 HA ARG 5 HA ARG 5 5.060 -17.734 -8.868 570 HE ARG 5 HE ARG 5 4.297 -20.827 -5.732 571 HB2 ARG 5 1HB ARG 5 7.684 -18.972 -8.250 572 HB3 ARG 5 2HB ARG 5 7.073 -17.793 -7.079 573 HG2 ARG 5 1HG ARG 5 5.533 -20.205 -8.042 574 HG3 ARG 5 2HG ARG 5 6.463 -20.123 -6.536 575 HD2 ARG 5 1HD ARG 5 5.050 -18.158 -5.856 576 HD3 ARG 5 2HD ARG 5 4.052 -18.478 -7.281 577 HH11 ARG 5 1HH1 ARG 5 2.742 -17.712 -5.740 578 HH12 ARG 5 2HH1 ARG 5 1.399 -18.235 -4.778 579 HH21 ARG 5 1HH2 ARG 5 2.533 -21.528 -4.466 580 HH22 ARG 5 2HH2 ARG 5 1.282 -20.405 -4.053 581 H GLU 6 H GLU 6 8.073 -16.649 -10.237 582 HA GLU 6 HA GLU 6 8.507 -14.325 -8.765 583 HE2 GLU 6 HE2 GLU 6 13.603 -13.653 -11.298 584 HB2 GLU 6 1HB GLU 6 9.463 -15.487 -11.220 585 HB3 GLU 6 2HB GLU 6 9.210 -13.748 -11.434 586 HG2 GLU 6 1HG GLU 6 10.535 -13.472 -9.254 587 HG3 GLU 6 2HG GLU 6 11.034 -15.150 -9.519 588 H GLU 7 H GLU 7 6.180 -15.028 -11.250 589 HA GLU 7 HA GLU 7 5.516 -12.487 -12.138 590 HE2 GLU 7 HE2 GLU 7 3.682 -14.286 -16.512 591 HB2 GLU 7 1HB GLU 7 3.639 -14.813 -11.650 592 HB3 GLU 7 2HB GLU 7 3.312 -13.416 -12.686 593 HG2 GLU 7 1HG GLU 7 5.797 -14.818 -13.345 594 HG3 GLU 7 2HG GLU 7 4.335 -15.800 -13.524 595 H ALA 8 H ALA 8 4.599 -14.149 -9.183 596 HA ALA 8 HA ALA 8 2.632 -12.251 -8.374 597 HB1 ALA 8 3HB ALA 8 2.227 -14.139 -7.216 598 HB2 ALA 8 1HB ALA 8 3.923 -14.625 -7.208 599 HB3 ALA 8 2HB ALA 8 3.344 -13.424 -6.052 600 H ALA 9 H ALA 9 6.086 -12.464 -8.089 601 HA ALA 9 HA ALA 9 6.511 -10.761 -5.904 602 HB1 ALA 9 3HB ALA 9 8.375 -10.827 -8.245 603 HB2 ALA 9 1HB ALA 9 8.745 -10.719 -6.524 604 HB3 ALA 9 2HB ALA 9 8.177 -12.242 -7.210 605 H LYS 10 H LYS 10 6.072 -10.072 -9.343 606 HA LYS 10 HA LYS 10 6.701 -7.351 -9.315 607 HB2 LYS 10 1HB LYS 10 4.563 -8.634 -11.024 608 HB3 LYS 10 2HB LYS 10 5.524 -7.193 -11.399 609 HG2 LYS 10 1HG LYS 10 7.538 -8.883 -11.156 610 HG3 LYS 10 2HG LYS 10 6.274 -10.063 -11.544 611 HD2 LYS 10 1HD LYS 10 6.278 -7.663 -13.253 612 HD3 LYS 10 2HD LYS 10 7.721 -8.683 -13.390 613 HE2 LYS 10 1HE LYS 10 5.902 -10.621 -13.495 614 HE3 LYS 10 2HE LYS 10 4.893 -9.289 -14.078 615 HZ1 LYS 10 3HZ LYS 10 6.655 -10.777 -15.563 616 HZ2 LYS 10 1HZ LYS 10 7.436 -9.290 -15.357 617 HZ3 LYS 10 2HZ LYS 10 5.890 -9.346 -16.044 618 H LEU 11 H LEU 11 3.823 -9.046 -8.309 619 HA LEU 11 HA LEU 11 1.929 -7.039 -8.314 620 HG LEU 11 HG LEU 11 2.228 -10.278 -8.270 621 HB2 LEU 11 1HB LEU 11 2.304 -9.096 -6.132 622 HB3 LEU 11 2HB LEU 11 0.808 -8.245 -6.551 623 HD11 LEU 11 1HD1 LEU 11 -0.208 -10.403 -6.519 624 HD12 LEU 11 2HD1 LEU 11 1.212 -11.450 -6.510 625 HD13 LEU 11 3HD1 LEU 11 0.061 -11.538 -7.843 626 HD21 LEU 11 3HD2 LEU 11 0.205 -10.115 -9.681 627 HD22 LEU 11 1HD2 LEU 11 1.144 -8.622 -9.651 628 HD23 LEU 11 2HD2 LEU 11 -0.337 -8.751 -8.701 629 H PHE 12 H PHE 12 4.377 -7.743 -5.848 630 HA PHE 12 HA PHE 12 3.554 -5.621 -4.121 631 HD1 PHE 12 HD2 PHE 12 2.928 -6.508 -2.383 632 HD2 PHE 12 HD1 PHE 12 5.980 -9.357 -3.209 633 HE1 PHE 12 HE2 PHE 12 1.690 -8.202 -1.098 634 HE2 PHE 12 HE1 PHE 12 4.747 -11.056 -1.926 635 HZ PHE 12 HZ PHE 12 2.599 -10.479 -0.867 636 HB2 PHE 12 1HB PHE 12 6.086 -7.278 -4.227 637 HB3 PHE 12 2HB PHE 12 5.739 -6.094 -2.965 638 H GLU 13 H GLU 13 5.677 -5.894 -6.841 639 HA GLU 13 HA GLU 13 7.380 -3.725 -6.409 640 HE2 GLU 13 HE2 GLU 13 9.107 -6.179 -11.078 641 HB2 GLU 13 1HB GLU 13 6.981 -5.571 -8.425 642 HB3 GLU 13 2HB GLU 13 6.552 -4.035 -9.194 643 HG2 GLU 13 1HG GLU 13 8.674 -3.170 -9.004 644 HG3 GLU 13 2HG GLU 13 9.084 -4.217 -7.638 645 H GLU 14 H GLU 14 4.118 -3.862 -7.737 646 HA GLU 14 HA GLU 14 4.049 -1.108 -8.502 647 HE2 GLU 14 HE2 GLU 14 -0.326 -3.951 -10.939 648 HB2 GLU 14 1HB GLU 14 1.664 -2.880 -7.962 649 HB3 GLU 14 2HB GLU 14 1.754 -1.469 -9.029 650 HG2 GLU 14 1HG GLU 14 3.450 -2.788 -10.393 651 HG3 GLU 14 2HG GLU 14 2.929 -4.195 -9.454 652 H TRP 15 H TRP 15 3.136 -2.935 -5.651 653 HA TRP 15 HA TRP 15 1.563 -1.069 -4.330 654 HD1 TRP 15 HD1 TRP 15 0.781 -3.333 -5.371 655 HE1 TRP 15 HE1 TRP 15 -1.161 -4.873 -4.678 656 HE3 TRP 15 HE3 TRP 15 1.835 -3.778 -0.387 657 HZ2 TRP 15 HZ2 TRP 15 -2.121 -6.110 -2.330 658 HZ3 TRP 15 HZ3 TRP 15 0.355 -5.157 1.013 659 HH2 TRP 15 HH2 TRP 15 -1.582 -6.298 0.061 660 HB2 TRP 15 1HB TRP 15 3.426 -3.228 -3.368 661 HB3 TRP 15 2HB TRP 15 2.607 -2.174 -2.216 662 H LYS 16 H LYS 16 5.088 -1.525 -4.066 663 HA LYS 16 HA LYS 16 5.464 0.770 -2.423 664 HB2 LYS 16 1HB LYS 16 7.052 -1.046 -2.332 665 HB3 LYS 16 2HB LYS 16 7.411 -0.866 -4.056 666 HG2 LYS 16 1HG LYS 16 7.837 1.606 -2.581 667 HG3 LYS 16 2HG LYS 16 8.814 0.261 -1.968 668 HD2 LYS 16 1HD LYS 16 8.691 0.601 -4.919 669 HD3 LYS 16 2HD LYS 16 9.603 1.809 -3.997 670 HE2 LYS 16 1HE LYS 16 10.107 -1.018 -3.269 671 HE3 LYS 16 2HE LYS 16 10.653 -0.514 -4.875 672 HZ1 LYS 16 3HZ LYS 16 11.791 1.386 -3.748 673 HZ2 LYS 16 1HZ LYS 16 12.426 -0.138 -3.379 674 HZ3 LYS 16 2HZ LYS 16 11.431 0.656 -2.265 675 H LYS 17 H LYS 17 5.293 0.236 -5.840 676 HA LYS 17 HA LYS 17 6.646 2.588 -6.677 677 HB2 LYS 17 1HB LYS 17 5.324 0.372 -7.897 678 HB3 LYS 17 2HB LYS 17 4.655 1.863 -8.582 679 HG2 LYS 17 1HG LYS 17 7.391 2.316 -8.559 680 HG3 LYS 17 2HG LYS 17 7.227 0.614 -9.026 681 HD2 LYS 17 1HD LYS 17 6.862 1.372 -11.103 682 HD3 LYS 17 2HD LYS 17 5.260 1.843 -10.507 683 HE2 LYS 17 1HE LYS 17 5.769 4.055 -10.450 684 HE3 LYS 17 2HE LYS 17 7.443 3.751 -9.963 685 HZ1 LYS 17 3HZ LYS 17 8.114 3.940 -12.052 686 HZ2 LYS 17 1HZ LYS 17 6.555 4.445 -12.473 687 HZ3 LYS 17 2HZ LYS 17 6.978 2.814 -12.603 688 H LEU 18 H LEU 18 3.156 1.831 -6.655 689 HA LEU 18 HA LEU 18 2.252 4.397 -7.238 690 HG LEU 18 HG LEU 18 1.405 2.184 -8.335 691 HB2 LEU 18 1HB LEU 18 0.956 2.192 -5.632 692 HB3 LEU 18 2HB LEU 18 0.121 3.665 -6.156 693 HD11 LEU 18 1HD1 LEU 18 0.777 0.160 -7.575 694 HD12 LEU 18 2HD1 LEU 18 -0.808 0.664 -8.160 695 HD13 LEU 18 3HD1 LEU 18 -0.406 0.827 -6.451 696 HD21 LEU 18 3HD2 LEU 18 -0.111 4.111 -8.620 697 HD22 LEU 18 1HD2 LEU 18 -1.416 3.162 -7.908 698 HD23 LEU 18 2HD2 LEU 18 -0.693 2.659 -9.437 699 H ALA 19 H ALA 19 3.469 3.073 -4.286 700 HA ALA 19 HA ALA 19 2.334 5.022 -2.530 701 HB1 ALA 19 3HB ALA 19 4.843 3.680 -1.742 702 HB2 ALA 19 1HB ALA 19 3.328 3.869 -0.859 703 HB3 ALA 19 2HB ALA 19 3.473 2.632 -2.109 704 H GLU 20 H GLU 20 5.209 4.835 -4.495 705 HA GLU 20 HA GLU 20 6.608 6.967 -3.211 706 HE2 GLU 20 HE2 GLU 20 10.476 4.828 -6.620 707 HB2 GLU 20 1HB GLU 20 7.457 5.054 -4.812 708 HB3 GLU 20 2HB GLU 20 7.096 6.247 -6.070 709 HG2 GLU 20 1HG GLU 20 8.573 7.867 -4.934 710 HG3 GLU 20 2HG GLU 20 8.981 6.614 -3.754 711 H GLU 21 H GLU 21 4.741 6.733 -6.231 712 HA GLU 21 HA GLU 21 4.994 9.381 -7.050 713 HE2 GLU 21 HE2 GLU 21 1.965 5.183 -10.013 714 HB2 GLU 21 1HB GLU 21 2.844 8.991 -8.287 715 HB3 GLU 21 2HB GLU 21 4.095 7.771 -8.568 716 HG2 GLU 21 1HG GLU 21 2.979 6.323 -6.867 717 HG3 GLU 21 2HG GLU 21 1.667 7.508 -6.815 718 H ALA 22 H ALA 22 2.515 7.884 -4.996 719 HA ALA 22 HA ALA 22 0.968 10.208 -4.613 720 HB1 ALA 22 3HB ALA 22 1.230 7.628 -3.115 721 HB2 ALA 22 1HB ALA 22 0.214 8.935 -2.503 722 HB3 ALA 22 2HB ALA 22 -0.119 8.223 -4.083 723 H ALA 23 H ALA 23 3.818 8.967 -2.998 724 HA ALA 23 HA ALA 23 3.695 10.703 -0.745 725 HB1 ALA 23 3HB ALA 23 5.220 9.235 -0.076 726 HB2 ALA 23 1HB ALA 23 5.430 8.630 -1.719 727 HB3 ALA 23 2HB ALA 23 6.376 10.011 -1.159 728 H LYS 24 H LYS 24 5.590 10.779 -3.758 729 HA LYS 24 HA LYS 24 6.883 13.228 -3.229 730 HB2 LYS 24 1HB LYS 24 7.413 13.253 -5.631 731 HB3 LYS 24 2HB LYS 24 7.720 11.668 -4.904 732 HG2 LYS 24 1HG LYS 24 5.629 10.812 -5.819 733 HG3 LYS 24 2HG LYS 24 5.289 12.402 -6.525 734 HD2 LYS 24 1HD LYS 24 7.832 11.851 -7.450 735 HD3 LYS 24 2HD LYS 24 7.032 10.269 -7.481 736 HE2 LYS 24 1HE LYS 24 6.241 10.925 -9.482 737 HE3 LYS 24 2HE LYS 24 5.094 11.872 -8.524 738 HZ1 LYS 24 3HZ LYS 24 5.984 13.752 -9.252 739 HZ2 LYS 24 1HZ LYS 24 6.900 12.845 -10.347 740 HZ3 LYS 24 2HZ LYS 24 7.552 13.265 -8.845 741 H LEU 25 H LEU 25 3.827 12.436 -4.781 742 HA LEU 25 HA LEU 25 3.321 15.113 -5.674 743 HG LEU 25 HG LEU 25 3.025 13.169 -7.709 744 HB2 LEU 25 1HB LEU 25 1.868 12.525 -5.661 745 HB3 LEU 25 2HB LEU 25 0.891 14.000 -5.744 746 HD11 LEU 25 1HD1 LEU 25 1.313 12.644 -9.200 747 HD12 LEU 25 2HD1 LEU 25 0.093 13.486 -8.245 748 HD13 LEU 25 3HD1 LEU 25 0.766 11.961 -7.669 749 HD21 LEU 25 3HD2 LEU 25 1.306 15.276 -8.605 750 HD22 LEU 25 1HD2 LEU 25 3.064 15.256 -8.462 751 HD23 LEU 25 2HD2 LEU 25 2.073 15.742 -7.086 752 H LEU 26 H LEU 26 2.368 13.141 -2.911 753 HA LEU 26 HA LEU 26 0.381 14.683 -1.796 754 HG LEU 26 HG LEU 26 0.018 12.138 -1.320 755 HB2 LEU 26 1HB LEU 26 2.393 12.781 -0.791 756 HB3 LEU 26 2HB LEU 26 1.738 13.897 0.421 757 HD11 LEU 26 1HD1 LEU 26 1.730 11.299 0.713 758 HD12 LEU 26 2HD1 LEU 26 0.384 10.403 0.012 759 HD13 LEU 26 3HD1 LEU 26 0.133 11.383 1.456 760 HD21 LEU 26 3HD2 LEU 26 -1.661 12.620 0.435 761 HD22 LEU 26 1HD2 LEU 26 -1.148 14.056 -0.449 762 HD23 LEU 26 2HD2 LEU 26 -0.524 13.750 1.172 763 H GLU 27 H GLU 27 3.890 15.059 -1.401 764 HA GLU 27 HA GLU 27 3.510 17.508 0.121 765 HE2 GLU 27 HE2 GLU 27 8.411 15.201 1.951 766 HB2 GLU 27 1HB GLU 27 6.075 16.177 -0.782 767 HB3 GLU 27 2HB GLU 27 5.929 17.493 0.394 768 HG2 GLU 27 1HG GLU 27 4.491 15.905 1.771 769 HG3 GLU 27 2HG GLU 27 5.083 14.633 0.693 770 H GLY 28 H GLY 28 3.783 16.606 -3.109 771 HA2 GLY 28 1HA GLY 28 3.906 17.855 -5.035 772 HA3 GLY 28 2HA GLY 28 3.752 19.288 -4.029 773 H GLY 29 H GLY 29 6.324 16.956 -3.589 774 HA2 GLY 29 1HA GLY 29 8.558 17.042 -4.260 775 HA3 GLY 29 2HA GLY 29 8.219 18.539 -5.116 776 H GLY 30 H GLY 30 7.150 18.327 -1.851 777 HA2 GLY 30 1HA GLY 30 8.894 18.834 -0.046 778 HA3 GLY 30 2HA GLY 30 9.301 20.191 -1.086 779 H GLY 31 H GLY 31 7.488 19.214 1.537 780 HA2 GLY 31 1HA GLY 31 6.523 21.435 2.514 781 HA3 GLY 31 2HA GLY 31 5.430 21.268 1.148 782 H GLY 32 H GLY 32 3.689 21.184 2.679 783 HA2 GLY 32 1HA GLY 32 2.012 19.729 3.459 784 HA3 GLY 32 2HA GLY 32 3.211 18.451 3.588 785 H GLY 33 H GLY 33 1.409 18.829 5.612 786 HA2 GLY 33 1HA GLY 33 2.467 20.532 7.665 787 HA3 GLY 33 2HA GLY 33 1.187 19.342 7.853 788 H GLY 34 H GLY 34 4.693 19.757 7.683 789 HA2 GLY 34 1HA GLY 34 6.344 18.683 8.887 790 HA3 GLY 34 2HA GLY 34 5.084 17.828 9.764 791 H GLY 35 H GLY 35 7.249 16.393 9.234 792 HA2 GLY 35 1HA GLY 35 6.744 14.911 6.748 793 HA3 GLY 35 2HA GLY 35 8.209 14.823 7.715 794 H GLU 36 H GLU 36 6.436 14.639 10.177 795 HA GLU 36 HA GLU 36 6.504 11.848 10.458 796 HE2 GLU 36 HE2 GLU 36 7.024 11.404 15.245 797 HB2 GLU 36 1HB GLU 36 6.604 13.263 12.399 798 HB3 GLU 36 2HB GLU 36 5.017 13.955 12.030 799 HG2 GLU 36 1HG GLU 36 3.890 12.231 12.930 800 HG3 GLU 36 2HG GLU 36 5.056 11.037 12.346 801 H LEU 37 H LEU 37 3.852 14.055 9.679 802 HA LEU 37 HA LEU 37 1.744 12.227 9.775 803 HG LEU 37 HG LEU 37 0.315 13.364 7.068 804 HB2 LEU 37 1HB LEU 37 1.344 14.599 9.631 805 HB3 LEU 37 2HB LEU 37 2.138 14.663 8.048 806 HD11 LEU 37 1HD1 LEU 37 -0.281 12.056 9.048 807 HD12 LEU 37 2HD1 LEU 37 -1.688 12.857 8.349 808 HD13 LEU 37 3HD1 LEU 37 -0.938 13.506 9.807 809 HD21 LEU 37 3HD2 LEU 37 -0.910 15.614 8.633 810 HD22 LEU 37 1HD2 LEU 37 -1.261 15.093 6.985 811 HD23 LEU 37 2HD2 LEU 37 0.264 15.903 7.347 812 H MET 38 H MET 38 3.785 13.182 7.022 813 HA MET 38 HA MET 38 2.553 11.358 5.210 814 HB2 MET 38 1HB MET 38 3.699 13.406 4.463 815 HB3 MET 38 2HB MET 38 5.238 12.738 5.026 816 HG2 MET 38 1HG MET 38 4.165 10.781 3.336 817 HG3 MET 38 2HG MET 38 3.867 12.325 2.535 818 HE1 MET 38 3HE MET 38 7.217 11.514 4.844 819 HE2 MET 38 1HE MET 38 6.319 10.097 4.299 820 HE3 MET 38 2HE MET 38 7.898 10.463 3.602 821 H LYS 39 H LYS 39 5.178 11.164 7.480 822 HA LYS 39 HA LYS 39 6.619 9.007 6.494 823 HB2 LYS 39 1HB LYS 39 7.063 10.493 8.551 824 HB3 LYS 39 2HB LYS 39 6.035 9.347 9.427 825 HG2 LYS 39 1HG LYS 39 7.816 7.712 8.081 826 HG3 LYS 39 2HG LYS 39 8.799 9.096 8.591 827 HD2 LYS 39 1HD LYS 39 8.590 8.621 10.802 828 HD3 LYS 39 2HD LYS 39 6.940 8.002 10.612 829 HE2 LYS 39 1HE LYS 39 7.836 5.963 10.875 830 HE3 LYS 39 2HE LYS 39 8.430 6.164 9.220 831 HZ1 LYS 39 3HZ LYS 39 10.534 6.606 9.922 832 HZ2 LYS 39 1HZ LYS 39 10.046 5.591 11.184 833 HZ3 LYS 39 2HZ LYS 39 10.044 7.269 11.398 834 H LEU 40 H LEU 40 3.490 9.096 8.008 835 HA LEU 40 HA LEU 40 3.344 6.323 8.654 836 HG LEU 40 HG LEU 40 2.791 8.208 10.501 837 HB2 LEU 40 1HB LEU 40 1.307 8.520 8.376 838 HB3 LEU 40 2HB LEU 40 0.834 6.842 8.696 839 HD11 LEU 40 1HD1 LEU 40 1.217 9.813 10.787 840 HD12 LEU 40 2HD1 LEU 40 0.534 8.591 11.858 841 HD13 LEU 40 3HD1 LEU 40 -0.099 8.784 10.223 842 HD21 LEU 40 3HD2 LEU 40 1.418 6.704 12.115 843 HD22 LEU 40 1HD2 LEU 40 2.621 5.973 11.053 844 HD23 LEU 40 2HD2 LEU 40 0.910 5.889 10.634 845 H CYS 41 H CYS 41 2.554 8.250 5.838 846 HA CYS 41 HA CYS 41 1.081 6.221 4.485 847 HG CYS 41 HG CYS 41 -0.741 8.610 4.274 848 HB2 CYS 41 1HB CYS 41 2.538 8.566 3.260 849 HB3 CYS 41 2HB CYS 41 1.179 7.671 2.561 850 H GLU 42 H GLU 42 4.454 7.253 4.477 851 HA GLU 42 HA GLU 42 5.336 5.708 2.310 852 HE2 GLU 42 HE2 GLU 42 9.341 8.037 1.383 853 HB2 GLU 42 1HB GLU 42 6.719 7.468 3.199 854 HB3 GLU 42 2HB GLU 42 6.802 6.662 4.773 855 HG2 GLU 42 1HG GLU 42 8.462 5.304 4.143 856 HG3 GLU 42 2HG GLU 42 7.739 5.010 2.555 857 H GLU 43 H GLU 43 4.578 4.862 5.585 858 HA GLU 43 HA GLU 43 6.044 2.528 5.924 859 HE2 GLU 43 HE2 GLU 43 6.635 1.807 9.815 860 HB2 GLU 43 1HB GLU 43 3.226 3.091 6.878 861 HB3 GLU 43 2HB GLU 43 4.314 1.854 7.526 862 HG2 GLU 43 1HG GLU 43 5.554 4.473 7.543 863 HG3 GLU 43 2HG GLU 43 4.024 4.454 8.434 864 H ALA 44 H ALA 44 3.285 3.156 3.927 865 HA ALA 44 HA ALA 44 2.187 0.645 3.581 866 HB1 ALA 44 3HB ALA 44 1.890 1.580 1.109 867 HB2 ALA 44 1HB ALA 44 0.961 2.201 2.473 868 HB3 ALA 44 2HB ALA 44 2.383 3.076 1.901 869 H ALA 45 H ALA 45 4.997 2.066 1.952 870 HA ALA 45 HA ALA 45 5.462 -0.228 0.302 871 HB1 ALA 45 3HB ALA 45 6.596 1.335 -0.797 872 HB2 ALA 45 1HB ALA 45 6.555 2.422 0.592 873 HB3 ALA 45 2HB ALA 45 7.841 1.222 0.447 874 H LYS 46 H LYS 46 6.370 0.737 3.498 875 HA LYS 46 HA LYS 46 8.670 -0.896 3.788 876 HB2 LYS 46 1HB LYS 46 7.231 0.957 5.363 877 HB3 LYS 46 2HB LYS 46 7.275 -0.557 6.280 878 HG2 LYS 46 1HG LYS 46 9.798 0.471 5.054 879 HG3 LYS 46 2HG LYS 46 9.178 1.212 6.541 880 HD2 LYS 46 1HD LYS 46 9.494 -1.772 6.286 881 HD3 LYS 46 2HD LYS 46 10.842 -0.729 6.771 882 HE2 LYS 46 1HE LYS 46 10.079 -0.640 8.863 883 HE3 LYS 46 2HE LYS 46 8.529 -0.013 8.284 884 HZ1 LYS 46 3HZ LYS 46 8.937 -2.435 9.464 885 HZ2 LYS 46 1HZ LYS 46 8.793 -2.821 7.823 886 HZ3 LYS 46 2HZ LYS 46 7.558 -1.971 8.604 887 H LYS 47 H LYS 47 5.253 -1.380 4.620 888 HA LYS 47 HA LYS 47 5.458 -3.864 5.846 889 HB2 LYS 47 1HB LYS 47 3.276 -2.532 4.262 890 HB3 LYS 47 2HB LYS 47 3.067 -4.176 4.886 891 HG2 LYS 47 1HG LYS 47 3.957 -2.040 6.769 892 HG3 LYS 47 2HG LYS 47 2.261 -2.088 6.257 893 HD2 LYS 47 1HD LYS 47 1.911 -3.613 7.847 894 HD3 LYS 47 2HD LYS 47 2.878 -4.732 6.870 895 HE2 LYS 47 1HE LYS 47 4.151 -4.862 8.735 896 HE3 LYS 47 2HE LYS 47 4.845 -3.362 8.103 897 HZ1 LYS 47 3HZ LYS 47 4.045 -2.217 9.811 898 HZ2 LYS 47 1HZ LYS 47 3.662 -3.694 10.544 899 HZ3 LYS 47 2HZ LYS 47 2.493 -2.871 9.641 900 H ALA 48 H ALA 48 4.744 -3.180 2.419 901 HA ALA 48 HA ALA 48 4.741 -5.850 1.560 902 HB1 ALA 48 3HB ALA 48 4.631 -3.237 0.342 903 HB2 ALA 48 1HB ALA 48 5.618 -4.344 -0.612 904 HB3 ALA 48 2HB ALA 48 3.953 -4.767 -0.214 905 H GLU 49 H GLU 49 7.346 -3.577 2.084 906 HA GLU 49 HA GLU 49 9.334 -5.089 0.691 907 HE2 GLU 49 HE2 GLU 49 11.573 0.194 1.074 908 HB2 GLU 49 1HB GLU 49 9.256 -2.663 2.389 909 HB3 GLU 49 2HB GLU 49 10.787 -3.552 2.373 910 HG2 GLU 49 1HG GLU 49 10.661 -3.461 -0.162 911 HG3 GLU 49 2HG GLU 49 9.358 -2.283 0.060 912 H GLU 50 H GLU 50 8.067 -5.041 3.939 913 HA GLU 50 HA GLU 50 10.194 -6.500 5.150 914 HE2 GLU 50 HE2 GLU 50 7.236 -5.200 9.803 915 HB2 GLU 50 1HB GLU 50 8.358 -5.039 6.256 916 HB3 GLU 50 2HB GLU 50 7.368 -6.504 6.170 917 HG2 GLU 50 1HG GLU 50 9.215 -7.699 7.406 918 HG3 GLU 50 2HG GLU 50 9.938 -6.106 7.673 919 H LEU 51 H LEU 51 6.943 -7.436 4.040 920 HA LEU 51 HA LEU 51 7.304 -10.201 4.579 921 HG LEU 51 HG LEU 51 5.766 -7.648 2.498 922 HB2 LEU 51 1HB LEU 51 5.279 -10.491 3.147 923 HB3 LEU 51 2HB LEU 51 5.089 -9.348 4.488 924 HD11 LEU 51 1HD1 LEU 51 4.496 -8.293 0.499 925 HD12 LEU 51 2HD1 LEU 51 4.208 -9.882 1.206 926 HD13 LEU 51 3HD1 LEU 51 5.850 -9.381 0.805 927 HD21 LEU 51 3HD2 LEU 51 3.917 -6.961 3.589 928 HD22 LEU 51 1HD2 LEU 51 3.249 -8.589 3.706 929 HD23 LEU 51 2HD2 LEU 51 3.088 -7.676 2.205 930 H PHE 52 H PHE 52 8.012 -8.147 1.858 931 HA PHE 52 HA PHE 52 8.213 -10.022 -0.187 932 HD1 PHE 52 HD2 PHE 52 8.490 -9.125 -2.758 933 HD2 PHE 52 HD1 PHE 52 11.917 -7.769 -0.628 934 HE1 PHE 52 HE2 PHE 52 9.887 -9.550 -4.739 935 HE2 PHE 52 HE1 PHE 52 13.318 -8.190 -2.605 936 HZ PHE 52 HZ PHE 52 12.304 -9.083 -4.664 937 HB2 PHE 52 1HB PHE 52 8.339 -7.665 -0.670 938 HB3 PHE 52 2HB PHE 52 9.800 -7.499 0.306 939 H LYS 53 H LYS 53 10.289 -9.430 2.522 940 HA LYS 53 HA LYS 53 12.690 -10.517 1.618 941 HB2 LYS 53 1HB LYS 53 12.013 -9.354 3.882 942 HB3 LYS 53 2HB LYS 53 11.781 -11.026 4.421 943 HG2 LYS 53 1HG LYS 53 13.949 -10.760 5.035 944 HG3 LYS 53 2HG LYS 53 14.194 -11.314 3.369 945 HD2 LYS 53 1HD LYS 53 13.856 -8.562 3.121 946 HD3 LYS 53 2HD LYS 53 14.840 -8.759 4.582 947 HE2 LYS 53 1HE LYS 53 16.436 -10.148 3.342 948 HE3 LYS 53 2HE LYS 53 15.447 -9.970 1.886 949 HZ1 LYS 53 3HZ LYS 53 16.746 -7.727 3.336 950 HZ2 LYS 53 1HZ LYS 53 15.865 -7.608 1.897 951 HZ3 LYS 53 2HZ LYS 53 17.338 -8.440 1.921 952 H LEU 54 H LEU 54 10.135 -12.166 3.486 953 HA LEU 54 HA LEU 54 11.286 -14.748 3.067 954 HG LEU 54 HG LEU 54 10.925 -14.279 5.678 955 HB2 LEU 54 1HB LEU 54 8.874 -13.638 4.383 956 HB3 LEU 54 2HB LEU 54 8.777 -15.321 3.836 957 HD11 LEU 54 1HD1 LEU 54 9.494 -15.784 7.299 958 HD12 LEU 54 2HD1 LEU 54 8.189 -15.312 6.212 959 HD13 LEU 54 3HD1 LEU 54 9.120 -14.077 7.060 960 HD21 LEU 54 3HD2 LEU 54 11.396 -16.600 6.085 961 HD22 LEU 54 1HD2 LEU 54 11.449 -16.307 4.347 962 HD23 LEU 54 2HD2 LEU 54 10.045 -17.097 5.065 963 H ALA 55 H ALA 55 8.529 -12.999 1.693 964 HA ALA 55 HA ALA 55 7.503 -15.030 0.083 965 HB1 ALA 55 3HB ALA 55 6.714 -12.543 0.596 966 HB2 ALA 55 1HB ALA 55 7.452 -12.264 -0.980 967 HB3 ALA 55 2HB ALA 55 6.149 -13.439 -0.813 968 H GLU 56 H GLU 56 10.317 -13.033 -0.316 969 HA GLU 56 HA GLU 56 10.689 -13.305 -3.089 970 HE2 GLU 56 HE2 GLU 56 14.435 -10.428 -4.466 971 HB2 GLU 56 1HB GLU 56 11.990 -11.656 -2.054 972 HB3 GLU 56 2HB GLU 56 12.550 -12.767 -0.794 973 HG2 GLU 56 1HG GLU 56 14.265 -13.523 -2.023 974 HG3 GLU 56 2HG GLU 56 13.308 -13.546 -3.511 975 H GLU 57 H GLU 57 11.435 -15.414 -0.400 976 HA GLU 57 HA GLU 57 13.235 -17.151 -1.645 977 HE2 GLU 57 HE2 GLU 57 14.038 -19.468 3.185 978 HB2 GLU 57 1HB GLU 57 12.700 -17.104 0.792 979 HB3 GLU 57 2HB GLU 57 11.158 -17.890 0.422 980 HG2 GLU 57 1HG GLU 57 12.238 -19.869 -0.336 981 HG3 GLU 57 2HG GLU 57 13.823 -19.085 -0.282 982 H ARG 58 H ARG 58 9.702 -17.484 -1.292 983 HA ARG 58 HA ARG 58 9.611 -19.742 -3.064 984 HE ARG 58 HE ARG 58 7.554 -19.638 1.829 985 HB2 ARG 58 1HB ARG 58 7.261 -18.067 -2.177 986 HB3 ARG 58 2HB ARG 58 7.269 -19.767 -2.667 987 HG2 ARG 58 1HG ARG 58 7.266 -20.217 -0.481 988 HG3 ARG 58 2HG ARG 58 8.984 -19.791 -0.547 989 HD2 ARG 58 1HD ARG 58 8.643 -17.671 0.337 990 HD3 ARG 58 2HD ARG 58 6.943 -17.644 -0.156 991 HH11 ARG 58 1HH1 ARG 58 6.636 -16.329 1.258 992 HH12 ARG 58 2HH1 ARG 58 5.913 -16.122 2.819 993 HH21 ARG 58 1HH2 ARG 58 6.607 -19.378 3.888 994 HH22 ARG 58 2HH2 ARG 58 5.899 -17.858 4.315 995 H LEU 59 H LEU 59 9.221 -16.295 -3.346 996 HA LEU 59 HA LEU 59 7.855 -16.250 -5.825 997 HG LEU 59 HG LEU 59 7.047 -14.539 -3.734 998 HB2 LEU 59 1HB LEU 59 9.468 -14.283 -4.249 999 HB3 LEU 59 2HB LEU 59 9.026 -13.910 -5.923 1000 HD11 LEU 59 1HD1 LEU 59 7.936 -12.486 -3.098 1001 HD12 LEU 59 2HD1 LEU 59 6.535 -12.042 -4.072 1002 HD13 LEU 59 3HD1 LEU 59 8.154 -11.952 -4.764 1003 HD21 LEU 59 3HD2 LEU 59 5.962 -15.053 -5.709 1004 HD22 LEU 59 1HD2 LEU 59 6.819 -13.814 -6.626 1005 HD23 LEU 59 2HD2 LEU 59 5.550 -13.352 -5.492 1006 H LYS 60 H LYS 60 11.287 -15.577 -5.107 1007 HA LYS 60 HA LYS 60 11.939 -16.578 -7.802 1008 HB2 LYS 60 1HB LYS 60 14.029 -14.934 -7.263 1009 HB3 LYS 60 2HB LYS 60 12.591 -14.446 -8.175 1010 HG2 LYS 60 1HG LYS 60 12.556 -14.160 -5.207 1011 HG3 LYS 60 2HG LYS 60 13.490 -13.005 -6.174 1012 HD2 LYS 60 1HD LYS 60 10.831 -13.501 -7.275 1013 HD3 LYS 60 2HD LYS 60 10.789 -12.854 -5.625 1014 HE2 LYS 60 1HE LYS 60 10.750 -11.066 -7.326 1015 HE3 LYS 60 2HE LYS 60 12.176 -10.980 -6.281 1016 HZ1 LYS 60 3HZ LYS 60 13.502 -11.984 -7.998 1017 HZ2 LYS 60 1HZ LYS 60 12.699 -10.640 -8.640 1018 HZ3 LYS 60 2HZ LYS 60 12.147 -12.201 -8.988 1019 H LYS 61 H LYS 61 14.226 -15.509 -5.372 1020 HA LYS 61 HA LYS 61 14.785 -17.871 -4.055 1021 HB2 LYS 61 1HB LYS 61 15.497 -18.071 -6.772 1022 HB3 LYS 61 2HB LYS 61 17.014 -17.863 -5.884 1023 HG2 LYS 61 1HG LYS 61 15.327 -19.764 -4.531 1024 HG3 LYS 61 2HG LYS 61 15.553 -20.219 -6.229 1025 HD2 LYS 61 1HD LYS 61 17.943 -20.177 -6.007 1026 HD3 LYS 61 2HD LYS 61 17.819 -19.489 -4.378 1027 HE2 LYS 61 1HE LYS 61 17.269 -21.482 -3.412 1028 HE3 LYS 61 2HE LYS 61 16.422 -22.056 -4.856 1029 HZ1 LYS 61 3HZ LYS 61 18.271 -23.372 -4.880 1030 HZ2 LYS 61 1HZ LYS 61 19.280 -22.190 -4.211 1031 HZ3 LYS 61 2HZ LYS 61 18.823 -22.090 -5.836 1032 H LEU 62 H LEU 62 14.844 -15.022 -3.699 1033 HA LEU 62 HA LEU 62 16.094 -13.354 -2.778 1034 HG LEU 62 HG LEU 62 15.789 -13.407 -0.621 1035 HB2 LEU 62 1HB LEU 62 17.016 -15.897 -1.613 1036 HB3 LEU 62 2HB LEU 62 18.132 -14.533 -1.421 1037 HD11 LEU 62 1HD1 LEU 62 14.367 -15.216 -0.586 1038 HD12 LEU 62 2HD1 LEU 62 14.984 -15.221 1.066 1039 HD13 LEU 62 3HD1 LEU 62 15.640 -16.347 -0.123 1040 HD21 LEU 62 3HD2 LEU 62 17.858 -13.197 0.569 1041 HD22 LEU 62 1HD2 LEU 62 17.839 -14.907 1.003 1042 HD23 LEU 62 2HD2 LEU 62 16.637 -13.810 1.685 1043 HC1 HLT 101 HC1 HLT 101 0.689 -0.909 -2.488 Start of MODEL 5 1 HA MET 1 HA MET 1 -16.147 17.551 1.294 2 H1 MET 1 1H MET 1 -17.013 19.600 2.841 3 HB2 MET 1 1HB MET 1 -18.692 18.719 0.223 4 HB3 MET 1 2HB MET 1 -17.453 18.143 -0.902 5 HG2 MET 1 1HG MET 1 -18.402 16.139 -0.727 6 HG3 MET 1 2HG MET 1 -17.669 16.066 0.878 7 HE1 MET 1 3HE MET 1 -20.963 14.385 1.306 8 HE2 MET 1 1HE MET 1 -21.299 15.032 -0.301 9 HE3 MET 1 2HE MET 1 -19.706 14.372 0.068 10 H LYS 2 H LYS 2 -14.290 18.339 0.581 11 HA LYS 2 HA LYS 2 -14.081 21.199 -0.008 12 HB2 LYS 2 1HB LYS 2 -12.421 19.371 1.332 13 HB3 LYS 2 2HB LYS 2 -11.585 19.753 -0.181 14 HG2 LYS 2 1HG LYS 2 -10.746 21.420 1.109 15 HG3 LYS 2 2HG LYS 2 -12.211 22.228 0.524 16 HD2 LYS 2 1HD LYS 2 -13.383 21.796 2.546 17 HD3 LYS 2 2HD LYS 2 -12.132 20.668 3.099 18 HE2 LYS 2 1HE LYS 2 -11.278 22.397 4.241 19 HE3 LYS 2 2HE LYS 2 -10.714 22.985 2.670 20 HZ1 LYS 2 3HZ LYS 2 -12.058 24.575 4.101 21 HZ2 LYS 2 1HZ LYS 2 -13.412 23.650 3.677 22 HZ3 LYS 2 2HZ LYS 2 -12.512 24.433 2.478 23 H LYS 3 H LYS 3 -11.958 21.311 -1.691 24 HA LYS 3 HA LYS 3 -12.468 19.624 -3.998 25 HB2 LYS 3 1HB LYS 3 -12.805 22.631 -4.130 26 HB3 LYS 3 2HB LYS 3 -12.856 21.521 -5.510 27 HG2 LYS 3 1HG LYS 3 -14.802 20.375 -4.324 28 HG3 LYS 3 2HG LYS 3 -14.838 21.805 -3.277 29 HD2 LYS 3 1HD LYS 3 -15.994 22.931 -4.809 30 HD3 LYS 3 2HD LYS 3 -14.686 22.687 -5.980 31 HE2 LYS 3 1HE LYS 3 -15.630 20.531 -6.634 32 HE3 LYS 3 2HE LYS 3 -16.908 20.722 -5.423 33 HZ1 LYS 3 3HZ LYS 3 -17.189 21.425 -7.967 34 HZ2 LYS 3 1HZ LYS 3 -16.645 22.895 -7.332 35 HZ3 LYS 3 2HZ LYS 3 -18.036 22.167 -6.705 36 H LEU 4 H LEU 4 -10.262 20.294 -2.101 37 HA LEU 4 HA LEU 4 -8.213 20.702 -4.132 38 HG LEU 4 HG LEU 4 -7.121 24.044 -3.248 39 HB2 LEU 4 1HB LEU 4 -8.975 22.710 -2.247 40 HB3 LEU 4 2HB LEU 4 -7.349 22.133 -1.846 41 HD11 LEU 4 1HD1 LEU 4 -5.802 23.176 -5.027 42 HD12 LEU 4 2HD1 LEU 4 -6.683 21.648 -5.017 43 HD13 LEU 4 3HD1 LEU 4 -5.637 22.071 -3.662 44 HD21 LEU 4 3HD2 LEU 4 -8.408 22.972 -5.638 45 HD22 LEU 4 1HD2 LEU 4 -8.484 24.587 -4.934 46 HD23 LEU 4 2HD2 LEU 4 -9.533 23.308 -4.321 47 H ARG 5 H ARG 5 -8.384 20.563 -0.570 48 HA ARG 5 HA ARG 5 -6.107 18.857 -0.391 49 HE ARG 5 HE ARG 5 -7.783 23.175 2.126 50 HB2 ARG 5 1HB ARG 5 -8.176 19.313 1.763 51 HB3 ARG 5 2HB ARG 5 -6.473 18.872 1.965 52 HG2 ARG 5 1HG ARG 5 -5.755 21.047 1.200 53 HG3 ARG 5 2HG ARG 5 -7.432 21.497 0.848 54 HD2 ARG 5 1HD ARG 5 -7.609 20.720 3.469 55 HD3 ARG 5 2HD ARG 5 -5.994 21.441 3.401 56 HH11 ARG 5 1HH1 ARG 5 -7.099 21.933 5.305 57 HH12 ARG 5 2HH1 ARG 5 -7.691 23.339 6.125 58 HH21 ARG 5 1HH2 ARG 5 -8.567 25.032 3.193 59 HH22 ARG 5 2HH2 ARG 5 -8.527 25.101 4.922 60 H GLU 6 H GLU 6 -9.585 18.359 -0.358 61 HA GLU 6 HA GLU 6 -9.729 15.757 0.582 62 HE2 GLU 6 HE2 GLU 6 -14.880 14.460 -1.203 63 HB2 GLU 6 1HB GLU 6 -11.507 17.569 -0.475 64 HB3 GLU 6 2HB GLU 6 -11.503 16.284 -1.692 65 HG2 GLU 6 1HG GLU 6 -11.646 15.066 0.876 66 HG3 GLU 6 2HG GLU 6 -12.854 16.356 0.793 67 H GLU 7 H GLU 7 -8.562 16.946 -2.458 68 HA GLU 7 HA GLU 7 -8.808 14.731 -4.098 69 HE2 GLU 7 HE2 GLU 7 -9.098 15.967 -8.118 70 HB2 GLU 7 1HB GLU 7 -6.564 16.753 -3.920 71 HB3 GLU 7 2HB GLU 7 -6.742 15.582 -5.236 72 HG2 GLU 7 1HG GLU 7 -9.202 17.034 -4.832 73 HG3 GLU 7 2HG GLU 7 -7.842 18.138 -5.081 74 H ALA 8 H ALA 8 -6.430 15.399 -1.587 75 HA ALA 8 HA ALA 8 -4.700 13.237 -2.150 76 HB1 ALA 8 3HB ALA 8 -3.608 14.645 -0.770 77 HB2 ALA 8 1HB ALA 8 -5.081 15.146 0.061 78 HB3 ALA 8 2HB ALA 8 -4.304 13.621 0.486 79 H ALA 9 H ALA 9 -7.729 13.463 -0.472 80 HA ALA 9 HA ALA 9 -7.567 11.138 1.103 81 HB1 ALA 9 3HB ALA 9 -9.438 13.129 0.688 82 HB2 ALA 9 1HB ALA 9 -10.239 11.669 0.106 83 HB3 ALA 9 2HB ALA 9 -9.613 11.734 1.754 84 H LYS 10 H LYS 10 -8.743 11.663 -2.200 85 HA LYS 10 HA LYS 10 -9.621 9.011 -2.639 86 HB2 LYS 10 1HB LYS 10 -8.620 10.885 -4.784 87 HB3 LYS 10 2HB LYS 10 -9.847 9.615 -4.925 88 HG2 LYS 10 1HG LYS 10 -11.145 11.045 -3.168 89 HG3 LYS 10 2HG LYS 10 -10.076 12.341 -3.737 90 HD2 LYS 10 1HD LYS 10 -11.771 12.638 -5.228 91 HD3 LYS 10 2HD LYS 10 -10.852 11.404 -6.108 92 HE2 LYS 10 1HE LYS 10 -12.326 9.711 -4.786 93 HE3 LYS 10 2HE LYS 10 -13.382 11.110 -4.535 94 HZ1 LYS 10 3HZ LYS 10 -13.614 11.378 -6.889 95 HZ2 LYS 10 1HZ LYS 10 -13.972 9.770 -6.502 96 HZ3 LYS 10 2HZ LYS 10 -12.482 10.160 -7.200 97 H LEU 11 H LEU 11 -6.515 10.591 -2.973 98 HA LEU 11 HA LEU 11 -5.149 8.817 -4.584 99 HG LEU 11 HG LEU 11 -4.941 11.921 -3.655 100 HB2 LEU 11 1HB LEU 11 -4.113 10.250 -2.132 101 HB3 LEU 11 2HB LEU 11 -3.117 9.533 -3.411 102 HD11 LEU 11 1HD1 LEU 11 -2.866 12.465 -2.586 103 HD12 LEU 11 2HD1 LEU 11 -2.815 13.057 -4.246 104 HD13 LEU 11 3HD1 LEU 11 -1.952 11.583 -3.809 105 HD21 LEU 11 3HD2 LEU 11 -3.974 12.029 -5.984 106 HD22 LEU 11 1HD2 LEU 11 -5.155 10.751 -5.701 107 HD23 LEU 11 2HD2 LEU 11 -3.435 10.367 -5.745 108 H PHE 12 H PHE 12 -5.693 8.633 -1.084 109 HA PHE 12 HA PHE 12 -4.248 6.193 -0.765 110 HD1 PHE 12 HD1 PHE 12 -2.689 6.619 0.472 111 HD2 PHE 12 HD2 PHE 12 -5.403 9.316 2.338 112 HE1 PHE 12 HE1 PHE 12 -0.795 7.983 1.250 113 HE2 PHE 12 HE2 PHE 12 -3.513 10.684 3.117 114 HZ PHE 12 HZ PHE 12 -1.206 10.019 2.573 115 HB2 PHE 12 1HB PHE 12 -6.249 7.610 1.010 116 HB3 PHE 12 2HB PHE 12 -5.374 6.154 1.489 117 H GLU 13 H GLU 13 -7.464 7.007 -1.705 118 HA GLU 13 HA GLU 13 -8.859 4.706 -0.972 119 HE2 GLU 13 HE2 GLU 13 -12.749 6.282 -4.693 120 HB2 GLU 13 1HB GLU 13 -9.477 7.009 -2.303 121 HB3 GLU 13 2HB GLU 13 -9.559 5.814 -3.607 122 HG2 GLU 13 1HG GLU 13 -10.932 4.566 -1.588 123 HG3 GLU 13 2HG GLU 13 -11.365 6.267 -1.366 124 H GLU 14 H GLU 14 -6.693 5.314 -3.661 125 HA GLU 14 HA GLU 14 -7.322 2.894 -5.057 126 HE2 GLU 14 HE2 GLU 14 -5.597 6.885 -9.019 127 HB2 GLU 14 1HB GLU 14 -4.806 4.545 -5.332 128 HB3 GLU 14 2HB GLU 14 -5.531 3.464 -6.532 129 HG2 GLU 14 1HG GLU 14 -7.580 5.109 -6.290 130 HG3 GLU 14 2HG GLU 14 -6.313 6.218 -5.745 131 H TRP 15 H TRP 15 -4.933 3.880 -2.683 132 HA TRP 15 HA TRP 15 -3.129 1.786 -2.856 133 HD1 TRP 15 HD1 TRP 15 -2.855 4.227 -3.548 134 HE1 TRP 15 HE1 TRP 15 -0.902 5.905 -3.535 135 HE3 TRP 15 HE3 TRP 15 -1.339 3.672 1.303 136 HZ2 TRP 15 HZ2 TRP 15 1.025 6.864 -1.711 137 HZ3 TRP 15 HZ3 TRP 15 0.567 5.006 2.102 138 HH2 TRP 15 HH2 TRP 15 1.724 6.568 0.626 139 HB2 TRP 15 1HB TRP 15 -4.088 3.384 -0.475 140 HB3 TRP 15 2HB TRP 15 -2.783 2.201 -0.363 141 H LYS 16 H LYS 16 -6.028 1.983 -0.793 142 HA LYS 16 HA LYS 16 -5.802 -0.667 0.188 143 HB2 LYS 16 1HB LYS 16 -7.175 1.405 1.056 144 HB3 LYS 16 2HB LYS 16 -8.444 0.728 0.022 145 HG2 LYS 16 1HG LYS 16 -7.642 -1.487 1.384 146 HG3 LYS 16 2HG LYS 16 -7.409 -0.214 2.594 147 HD2 LYS 16 1HD LYS 16 -9.681 0.454 2.491 148 HD3 LYS 16 2HD LYS 16 -9.957 -0.492 1.018 149 HE2 LYS 16 1HE LYS 16 -9.149 -2.470 2.650 150 HE3 LYS 16 2HE LYS 16 -9.846 -1.365 3.844 151 HZ1 LYS 16 3HZ LYS 16 -11.212 -2.575 1.507 152 HZ2 LYS 16 1HZ LYS 16 -11.884 -1.324 2.424 153 HZ3 LYS 16 2HZ LYS 16 -11.558 -2.818 3.145 154 H LYS 17 H LYS 17 -7.106 0.691 -2.709 155 HA LYS 17 HA LYS 17 -8.835 -1.479 -3.377 156 HB2 LYS 17 1HB LYS 17 -8.233 1.082 -4.414 157 HB3 LYS 17 2HB LYS 17 -7.895 -0.082 -5.705 158 HG2 LYS 17 1HG LYS 17 -10.151 -1.003 -5.487 159 HG3 LYS 17 2HG LYS 17 -10.491 0.164 -4.197 160 HD2 LYS 17 1HD LYS 17 -11.256 1.517 -5.809 161 HD3 LYS 17 2HD LYS 17 -9.554 1.756 -6.243 162 HE2 LYS 17 1HE LYS 17 -9.642 0.071 -7.926 163 HE3 LYS 17 2HE LYS 17 -11.221 -0.489 -7.357 164 HZ1 LYS 17 3HZ LYS 17 -12.087 0.853 -8.880 165 HZ2 LYS 17 1HZ LYS 17 -10.605 1.609 -9.186 166 HZ3 LYS 17 2HZ LYS 17 -11.593 2.162 -7.931 167 H LEU 18 H LEU 18 -5.618 -0.493 -4.552 168 HA LEU 18 HA LEU 18 -5.171 -2.616 -6.288 169 HG LEU 18 HG LEU 18 -4.697 0.205 -6.172 170 HB2 LEU 18 1HB LEU 18 -3.071 -1.265 -4.588 171 HB3 LEU 18 2HB LEU 18 -2.835 -2.086 -6.140 172 HD11 LEU 18 1HD1 LEU 18 -2.119 0.457 -4.957 173 HD12 LEU 18 2HD1 LEU 18 -3.343 1.694 -5.246 174 HD13 LEU 18 3HD1 LEU 18 -2.142 1.335 -6.487 175 HD21 LEU 18 3HD2 LEU 18 -2.672 -1.083 -7.928 176 HD22 LEU 18 1HD2 LEU 18 -3.050 0.619 -8.192 177 HD23 LEU 18 2HD2 LEU 18 -4.329 -0.592 -8.282 178 H ALA 19 H ALA 19 -5.107 -2.517 -2.832 179 HA ALA 19 HA ALA 19 -3.534 -4.868 -2.437 180 HB1 ALA 19 3HB ALA 19 -3.663 -4.343 -0.269 181 HB2 ALA 19 1HB ALA 19 -4.437 -2.855 -0.814 182 HB3 ALA 19 2HB ALA 19 -5.423 -4.228 -0.308 183 H GLU 20 H GLU 20 -6.906 -4.224 -3.021 184 HA GLU 20 HA GLU 20 -7.875 -6.764 -2.151 185 HE2 GLU 20 HE2 GLU 20 -12.394 -5.570 -0.893 186 HB2 GLU 20 1HB GLU 20 -9.119 -4.751 -4.040 187 HB3 GLU 20 2HB GLU 20 -9.955 -6.123 -3.296 188 HG2 GLU 20 1HG GLU 20 -8.623 -4.384 -1.360 189 HG3 GLU 20 2HG GLU 20 -9.878 -3.576 -2.308 190 H GLU 21 H GLU 21 -7.202 -5.364 -5.352 191 HA GLU 21 HA GLU 21 -7.895 -7.592 -6.884 192 HE2 GLU 21 HE2 GLU 21 -5.668 -2.870 -9.753 193 HB2 GLU 21 1HB GLU 21 -6.266 -6.616 -8.577 194 HB3 GLU 21 2HB GLU 21 -7.573 -5.555 -8.032 195 HG2 GLU 21 1HG GLU 21 -6.094 -4.359 -6.571 196 HG3 GLU 21 2HG GLU 21 -4.785 -5.502 -6.904 197 H ALA 22 H ALA 22 -4.905 -6.787 -5.218 198 HA ALA 22 HA ALA 22 -3.401 -8.947 -6.346 199 HB1 ALA 22 3HB ALA 22 -1.954 -8.327 -4.197 200 HB2 ALA 22 1HB ALA 22 -1.944 -7.347 -5.663 201 HB3 ALA 22 2HB ALA 22 -2.940 -6.868 -4.289 202 H ALA 23 H ALA 23 -5.359 -8.477 -3.478 203 HA ALA 23 HA ALA 23 -4.513 -10.831 -2.119 204 HB1 ALA 23 3HB ALA 23 -5.560 -9.710 -0.510 205 HB2 ALA 23 1HB ALA 23 -6.398 -8.688 -1.679 206 HB3 ALA 23 2HB ALA 23 -7.080 -10.250 -1.223 207 H LYS 24 H LYS 24 -7.440 -10.063 -4.001 208 HA LYS 24 HA LYS 24 -8.596 -12.613 -3.858 209 HB2 LYS 24 1HB LYS 24 -9.904 -11.908 -5.858 210 HB3 LYS 24 2HB LYS 24 -9.917 -10.722 -4.543 211 HG2 LYS 24 1HG LYS 24 -9.435 -9.234 -6.140 212 HG3 LYS 24 2HG LYS 24 -7.788 -9.877 -6.013 213 HD2 LYS 24 1HD LYS 24 -8.358 -9.871 -8.329 214 HD3 LYS 24 2HD LYS 24 -8.404 -11.555 -7.778 215 HE2 LYS 24 1HE LYS 24 -10.989 -10.411 -7.369 216 HE3 LYS 24 2HE LYS 24 -10.463 -10.049 -9.019 217 HZ1 LYS 24 3HZ LYS 24 -10.895 -12.674 -7.758 218 HZ2 LYS 24 1HZ LYS 24 -9.839 -12.534 -9.072 219 HZ3 LYS 24 2HZ LYS 24 -11.463 -12.096 -9.243 220 H LEU 25 H LEU 25 -6.273 -11.225 -6.110 221 HA LEU 25 HA LEU 25 -6.302 -13.483 -7.881 222 HG LEU 25 HG LEU 25 -6.662 -10.827 -9.025 223 HB2 LEU 25 1HB LEU 25 -4.687 -10.982 -7.616 224 HB3 LEU 25 2HB LEU 25 -4.068 -12.309 -8.612 225 HD11 LEU 25 1HD1 LEU 25 -4.285 -10.932 -10.855 226 HD12 LEU 25 2HD1 LEU 25 -4.455 -9.698 -9.607 227 HD13 LEU 25 3HD1 LEU 25 -5.659 -9.825 -10.891 228 HD21 LEU 25 3HD2 LEU 25 -7.359 -12.540 -10.247 229 HD22 LEU 25 1HD2 LEU 25 -5.910 -13.447 -9.817 230 HD23 LEU 25 2HD2 LEU 25 -5.912 -12.420 -11.251 231 H LEU 26 H LEU 26 -4.279 -12.375 -5.215 232 HA LEU 26 HA LEU 26 -2.112 -14.054 -5.431 233 HG LEU 26 HG LEU 26 -1.411 -11.803 -4.399 234 HB2 LEU 26 1HB LEU 26 -3.496 -12.660 -3.239 235 HB3 LEU 26 2HB LEU 26 -2.525 -14.056 -2.741 236 HD11 LEU 26 1HD1 LEU 26 -0.944 -10.566 -2.575 237 HD12 LEU 26 2HD1 LEU 26 -0.739 -11.976 -1.535 238 HD13 LEU 26 3HD1 LEU 26 -2.357 -11.390 -1.917 239 HD21 LEU 26 3HD2 LEU 26 0.720 -12.701 -3.350 240 HD22 LEU 26 1HD2 LEU 26 -0.047 -13.715 -4.572 241 HD23 LEU 26 2HD2 LEU 26 -0.233 -14.103 -2.862 242 H GLU 27 H GLU 27 -5.277 -14.759 -4.001 243 HA GLU 27 HA GLU 27 -4.486 -17.526 -3.528 244 HE2 GLU 27 HE2 GLU 27 -6.986 -18.251 0.813 245 HB2 GLU 27 1HB GLU 27 -7.061 -16.063 -2.894 246 HB3 GLU 27 2HB GLU 27 -6.693 -17.732 -2.434 247 HG2 GLU 27 1HG GLU 27 -4.550 -16.126 -1.519 248 HG3 GLU 27 2HG GLU 27 -6.058 -15.318 -1.069 249 H GLY 28 H GLY 28 -5.918 -15.677 -5.953 250 HA2 GLY 28 1HA GLY 28 -6.942 -16.229 -7.931 251 HA3 GLY 28 2HA GLY 28 -6.335 -17.858 -7.670 252 H GLY 29 H GLY 29 -8.330 -16.606 -5.184 253 HA2 GLY 29 1HA GLY 29 -10.626 -16.830 -4.792 254 HA3 GLY 29 2HA GLY 29 -10.789 -17.644 -6.341 255 H GLY 30 H GLY 30 -8.291 -18.735 -4.234 256 HA2 GLY 30 1HA GLY 30 -9.073 -20.398 -2.412 257 HA3 GLY 30 2HA GLY 30 -9.830 -21.200 -3.780 258 H GLY 31 H GLY 31 -6.725 -20.189 -2.428 259 HA2 GLY 31 1HA GLY 31 -5.503 -22.621 -3.397 260 HA3 GLY 31 2HA GLY 31 -4.901 -21.163 -4.172 261 H GLY 32 H GLY 32 -3.359 -22.971 -2.590 262 HA2 GLY 32 1HA GLY 32 -1.787 -22.933 -0.918 263 HA3 GLY 32 2HA GLY 32 -1.910 -21.182 -1.014 264 H GLY 33 H GLY 33 -2.421 -20.230 0.834 265 HA2 GLY 33 1HA GLY 33 -4.525 -21.295 2.512 266 HA3 GLY 33 2HA GLY 33 -2.923 -21.350 3.236 267 H GLY 34 H GLY 34 -1.773 -19.327 3.523 268 HA2 GLY 34 1HA GLY 34 -1.948 -16.854 3.298 269 HA3 GLY 34 2HA GLY 34 -3.633 -17.041 3.761 270 H GLY 35 H GLY 35 -4.173 -17.382 5.914 271 HA2 GLY 35 1HA GLY 35 -3.936 -17.101 8.180 272 HA3 GLY 35 2HA GLY 35 -2.447 -18.017 7.997 273 H GLU 36 H GLU 36 -0.544 -17.007 8.283 274 HA GLU 36 HA GLU 36 -0.570 -14.316 9.273 275 HE2 GLU 36 HE2 GLU 36 4.310 -16.384 11.119 276 HB2 GLU 36 1HB GLU 36 0.928 -15.805 10.348 277 HB3 GLU 36 2HB GLU 36 1.620 -16.332 8.806 278 HG2 GLU 36 1HG GLU 36 2.608 -14.116 8.477 279 HG3 GLU 36 2HG GLU 36 1.926 -13.597 10.025 280 H LEU 37 H LEU 37 0.115 -15.849 6.243 281 HA LEU 37 HA LEU 37 1.764 -13.955 5.035 282 HG LEU 37 HG LEU 37 -0.180 -13.989 2.348 283 HB2 LEU 37 1HB LEU 37 1.496 -15.974 3.893 284 HB3 LEU 37 2HB LEU 37 -0.271 -15.880 3.977 285 HD11 LEU 37 1HD1 LEU 37 1.761 -13.331 1.294 286 HD12 LEU 37 2HD1 LEU 37 2.618 -14.815 1.711 287 HD13 LEU 37 3HD1 LEU 37 2.320 -13.593 2.947 288 HD21 LEU 37 3HD2 LEU 37 1.178 -16.368 1.147 289 HD22 LEU 37 1HD2 LEU 37 -0.142 -15.387 0.506 290 HD23 LEU 37 2HD2 LEU 37 -0.443 -16.517 1.828 291 H MET 38 H MET 38 -1.784 -14.231 4.751 292 HA MET 38 HA MET 38 -2.127 -11.787 3.397 293 HB2 MET 38 1HB MET 38 -3.860 -13.416 3.263 294 HB3 MET 38 2HB MET 38 -4.023 -13.475 5.025 295 HG2 MET 38 1HG MET 38 -4.851 -11.154 5.020 296 HG3 MET 38 2HG MET 38 -4.736 -11.147 3.258 297 HE1 MET 38 3HE MET 38 -6.250 -14.514 2.815 298 HE2 MET 38 1HE MET 38 -7.297 -13.398 1.937 299 HE3 MET 38 2HE MET 38 -5.552 -13.139 1.956 300 H LYS 39 H LYS 39 -1.991 -12.610 6.799 301 HA LYS 39 HA LYS 39 -3.082 -10.338 7.947 302 HB2 LYS 39 1HB LYS 39 -2.372 -12.362 9.187 303 HB3 LYS 39 2HB LYS 39 -0.683 -11.887 8.944 304 HG2 LYS 39 1HG LYS 39 -1.766 -9.625 10.058 305 HG3 LYS 39 2HG LYS 39 -2.638 -10.929 10.884 306 HD2 LYS 39 1HD LYS 39 -0.159 -11.939 11.028 307 HD3 LYS 39 2HD LYS 39 0.237 -10.212 10.976 308 HE2 LYS 39 1HE LYS 39 -0.187 -10.112 13.163 309 HE3 LYS 39 2HE LYS 39 -1.886 -10.414 12.776 310 HZ1 LYS 39 3HZ LYS 39 -0.167 -12.052 14.208 311 HZ2 LYS 39 1HZ LYS 39 -0.462 -12.850 12.745 312 HZ3 LYS 39 2HZ LYS 39 -1.756 -12.391 13.733 313 H LEU 40 H LEU 40 0.094 -10.826 6.534 314 HA LEU 40 HA LEU 40 1.181 -8.346 7.450 315 HG LEU 40 HG LEU 40 2.482 -10.924 7.753 316 HB2 LEU 40 1HB LEU 40 2.015 -10.352 5.365 317 HB3 LEU 40 2HB LEU 40 2.895 -8.835 5.617 318 HD11 LEU 40 1HD1 LEU 40 4.356 -10.801 5.541 319 HD12 LEU 40 2HD1 LEU 40 4.024 -12.112 6.673 320 HD13 LEU 40 3HD1 LEU 40 5.166 -10.840 7.109 321 HD21 LEU 40 3HD2 LEU 40 3.538 -9.550 9.168 322 HD22 LEU 40 1HD2 LEU 40 3.115 -8.277 8.023 323 HD23 LEU 40 2HD2 LEU 40 4.705 -9.036 7.948 324 H CYS 41 H CYS 41 -0.468 -9.435 4.543 325 HA CYS 41 HA CYS 41 -0.009 -7.018 3.079 326 HG CYS 41 HG CYS 41 -0.627 -10.992 1.825 327 HB2 CYS 41 1HB CYS 41 -2.165 -9.071 2.585 328 HB3 CYS 41 2HB CYS 41 -1.462 -7.946 1.411 329 H GLU 42 H GLU 42 -2.411 -8.154 5.319 330 HA GLU 42 HA GLU 42 -4.512 -6.405 4.685 331 HE2 GLU 42 HE2 GLU 42 -8.309 -8.178 8.173 332 HB2 GLU 42 1HB GLU 42 -3.791 -8.189 6.880 333 HB3 GLU 42 2HB GLU 42 -4.668 -6.752 7.430 334 HG2 GLU 42 1HG GLU 42 -6.328 -7.319 5.524 335 HG3 GLU 42 2HG GLU 42 -5.575 -8.919 5.585 336 H GLU 43 H GLU 43 -1.529 -5.913 6.382 337 HA GLU 43 HA GLU 43 -2.114 -3.670 7.913 338 HE2 GLU 43 HE2 GLU 43 -2.461 -5.925 9.936 339 HB2 GLU 43 1HB GLU 43 0.461 -4.179 6.408 340 HB3 GLU 43 2HB GLU 43 0.255 -3.166 7.845 341 HG2 GLU 43 1HG GLU 43 0.149 -6.160 7.629 342 HG3 GLU 43 2HG GLU 43 1.201 -5.151 8.633 343 H ALA 44 H ALA 44 -1.398 -3.941 4.480 344 HA ALA 44 HA ALA 44 -0.948 -1.304 3.805 345 HB1 ALA 44 3HB ALA 44 -1.998 -3.670 2.383 346 HB2 ALA 44 1HB ALA 44 -2.316 -2.101 1.642 347 HB3 ALA 44 2HB ALA 44 -0.657 -2.600 1.976 348 H ALA 45 H ALA 45 -4.040 -2.962 4.272 349 HA ALA 45 HA ALA 45 -5.618 -0.686 3.546 350 HB1 ALA 45 3HB ALA 45 -6.968 -2.451 3.249 351 HB2 ALA 45 1HB ALA 45 -6.109 -3.435 4.435 352 HB3 ALA 45 2HB ALA 45 -7.317 -2.264 4.968 353 H LYS 46 H LYS 46 -4.070 -1.775 6.424 354 HA LYS 46 HA LYS 46 -5.719 -0.354 8.279 355 HB2 LYS 46 1HB LYS 46 -3.553 -2.195 8.396 356 HB3 LYS 46 2HB LYS 46 -3.092 -0.759 9.323 357 HG2 LYS 46 1HG LYS 46 -5.770 -2.034 9.748 358 HG3 LYS 46 2HG LYS 46 -4.316 -2.694 10.516 359 HD2 LYS 46 1HD LYS 46 -4.016 -0.865 11.873 360 HD3 LYS 46 2HD LYS 46 -4.821 0.232 10.737 361 HE2 LYS 46 1HE LYS 46 -6.374 0.081 12.458 362 HE3 LYS 46 2HE LYS 46 -6.951 -1.130 11.303 363 HZ1 LYS 46 3HZ LYS 46 -6.402 -2.835 12.664 364 HZ2 LYS 46 1HZ LYS 46 -6.634 -1.660 13.859 365 HZ3 LYS 46 2HZ LYS 46 -5.070 -2.040 13.339 366 H LYS 47 H LYS 47 -2.511 0.241 6.864 367 HA LYS 47 HA LYS 47 -2.040 2.702 8.131 368 HB2 LYS 47 1HB LYS 47 -0.959 1.295 5.734 369 HB3 LYS 47 2HB LYS 47 -0.607 3.022 5.907 370 HG2 LYS 47 1HG LYS 47 1.211 1.775 6.842 371 HG3 LYS 47 2HG LYS 47 0.322 2.563 8.157 372 HD2 LYS 47 1HD LYS 47 -0.916 0.431 8.536 373 HD3 LYS 47 2HD LYS 47 0.130 -0.331 7.324 374 HE2 LYS 47 1HE LYS 47 1.307 -0.878 9.206 375 HE3 LYS 47 2HE LYS 47 2.036 0.694 8.852 376 HZ1 LYS 47 3HZ LYS 47 1.400 1.359 10.850 377 HZ2 LYS 47 1HZ LYS 47 0.590 -0.098 11.137 378 HZ3 LYS 47 2HZ LYS 47 -0.220 1.187 10.393 379 H ALA 48 H ALA 48 -3.250 2.038 4.843 380 HA ALA 48 HA ALA 48 -3.715 4.685 4.093 381 HB1 ALA 48 3HB ALA 48 -5.177 3.783 2.375 382 HB2 ALA 48 1HB ALA 48 -3.721 2.799 2.524 383 HB3 ALA 48 2HB ALA 48 -5.243 2.235 3.218 384 H GLU 49 H GLU 49 -5.699 2.441 5.936 385 HA GLU 49 HA GLU 49 -8.055 4.041 5.906 386 HE2 GLU 49 HE2 GLU 49 -8.239 1.336 10.916 387 HB2 GLU 49 1HB GLU 49 -8.236 1.674 6.316 388 HB3 GLU 49 2HB GLU 49 -7.174 1.798 7.727 389 HG2 GLU 49 1HG GLU 49 -9.551 3.516 7.847 390 HG3 GLU 49 2HG GLU 49 -9.887 1.778 7.818 391 H GLU 50 H GLU 50 -5.366 3.651 8.170 392 HA GLU 50 HA GLU 50 -6.450 5.379 10.158 393 HE2 GLU 50 HE2 GLU 50 -2.195 3.875 13.603 394 HB2 GLU 50 1HB GLU 50 -4.822 3.721 10.790 395 HB3 GLU 50 2HB GLU 50 -3.635 4.401 9.666 396 HG2 GLU 50 1HG GLU 50 -3.595 6.483 10.988 397 HG3 GLU 50 2HG GLU 50 -4.712 5.734 12.139 398 H LEU 51 H LEU 51 -4.575 5.853 7.274 399 HA LEU 51 HA LEU 51 -3.620 8.465 7.919 400 HG LEU 51 HG LEU 51 -2.072 6.366 7.094 401 HB2 LEU 51 1HB LEU 51 -3.912 6.997 5.295 402 HB3 LEU 51 2HB LEU 51 -3.169 8.598 5.456 403 HD11 LEU 51 1HD1 LEU 51 -2.294 6.244 4.246 404 HD12 LEU 51 2HD1 LEU 51 -1.546 5.097 5.356 405 HD13 LEU 51 3HD1 LEU 51 -0.601 6.434 4.700 406 HD21 LEU 51 3HD2 LEU 51 -0.989 8.356 7.540 407 HD22 LEU 51 1HD2 LEU 51 -1.110 8.918 5.873 408 HD23 LEU 51 2HD2 LEU 51 0.044 7.653 6.295 409 H PHE 52 H PHE 52 -6.274 7.253 5.883 410 HA PHE 52 HA PHE 52 -7.244 9.766 5.084 411 HD1 PHE 52 HD1 PHE 52 -10.746 7.909 6.232 412 HD2 PHE 52 HD2 PHE 52 -9.094 9.475 2.635 413 HE1 PHE 52 HE1 PHE 52 -12.924 8.907 5.670 414 HE2 PHE 52 HE2 PHE 52 -11.269 10.475 2.068 415 HZ PHE 52 HZ PHE 52 -13.188 10.193 3.585 416 HB2 PHE 52 1HB PHE 52 -7.915 7.786 3.893 417 HB3 PHE 52 2HB PHE 52 -8.629 7.094 5.350 418 H LYS 53 H LYS 53 -7.550 8.019 8.042 419 HA LYS 53 HA LYS 53 -9.903 9.322 8.998 420 HB2 LYS 53 1HB LYS 53 -9.357 7.206 9.946 421 HB3 LYS 53 2HB LYS 53 -7.725 7.749 10.370 422 HG2 LYS 53 1HG LYS 53 -9.998 9.246 11.554 423 HG3 LYS 53 2HG LYS 53 -9.695 7.604 12.147 424 HD2 LYS 53 1HD LYS 53 -7.177 8.886 11.978 425 HD3 LYS 53 2HD LYS 53 -8.292 10.021 12.758 426 HE2 LYS 53 1HE LYS 53 -7.520 8.827 14.579 427 HE3 LYS 53 2HE LYS 53 -8.995 7.944 14.166 428 HZ1 LYS 53 3HZ LYS 53 -6.210 7.181 13.491 429 HZ2 LYS 53 1HZ LYS 53 -7.572 6.405 12.854 430 HZ3 LYS 53 2HZ LYS 53 -7.278 6.366 14.519 431 H LEU 54 H LEU 54 -6.478 9.634 9.955 432 HA LEU 54 HA LEU 54 -6.900 11.971 11.499 433 HG LEU 54 HG LEU 54 -4.081 13.213 11.424 434 HB2 LEU 54 1HB LEU 54 -4.981 10.337 11.685 435 HB3 LEU 54 2HB LEU 54 -4.309 11.103 10.236 436 HD11 LEU 54 1HD1 LEU 54 -4.401 12.839 14.052 437 HD12 LEU 54 2HD1 LEU 54 -5.681 11.782 13.455 438 HD13 LEU 54 3HD1 LEU 54 -5.668 13.489 13.011 439 HD21 LEU 54 3HD2 LEU 54 -2.187 12.646 12.593 440 HD22 LEU 54 1HD2 LEU 54 -2.417 11.201 11.609 441 HD23 LEU 54 2HD2 LEU 54 -2.920 11.206 13.299 442 H ALA 55 H ALA 55 -5.921 11.419 8.159 443 HA ALA 55 HA ALA 55 -5.242 14.104 7.563 444 HB1 ALA 55 3HB ALA 55 -6.231 12.068 5.580 445 HB2 ALA 55 1HB ALA 55 -5.148 13.432 5.297 446 HB3 ALA 55 2HB ALA 55 -4.597 12.050 6.244 447 H GLU 56 H GLU 56 -8.254 12.305 7.506 448 HA GLU 56 HA GLU 56 -9.844 13.952 5.958 449 HE2 GLU 56 HE2 GLU 56 -14.945 11.648 7.878 450 HB2 GLU 56 1HB GLU 56 -10.813 11.936 6.648 451 HB3 GLU 56 2HB GLU 56 -10.438 12.238 8.352 452 HG2 GLU 56 1HG GLU 56 -12.115 13.994 8.447 453 HG3 GLU 56 2HG GLU 56 -12.468 13.756 6.730 454 H GLU 57 H GLU 57 -8.631 14.449 9.183 455 HA GLU 57 HA GLU 57 -10.403 16.451 10.040 456 HE2 GLU 57 HE2 GLU 57 -6.703 17.343 14.568 457 HB2 GLU 57 1HB GLU 57 -8.816 15.265 11.521 458 HB3 GLU 57 2HB GLU 57 -7.481 16.129 10.743 459 HG2 GLU 57 1HG GLU 57 -8.869 18.253 11.453 460 HG3 GLU 57 2HG GLU 57 -9.527 17.128 12.650 461 H ARG 58 H ARG 58 -7.193 16.747 8.521 462 HA ARG 58 HA ARG 58 -7.454 19.592 8.221 463 HE ARG 58 HE ARG 58 -2.939 16.149 7.674 464 HB2 ARG 58 1HB ARG 58 -5.452 17.842 6.799 465 HB3 ARG 58 2HB ARG 58 -5.292 19.543 7.260 466 HG2 ARG 58 1HG ARG 58 -4.106 18.784 8.992 467 HG3 ARG 58 2HG ARG 58 -5.678 18.342 9.680 468 HD2 ARG 58 1HD ARG 58 -4.816 16.267 9.808 469 HD3 ARG 58 2HD ARG 58 -5.179 16.201 8.078 470 HH11 ARG 58 1HH1 ARG 58 -3.458 17.530 10.827 471 HH12 ARG 58 2HH1 ARG 58 -1.770 17.635 11.202 472 HH21 ARG 58 1HH2 ARG 58 -0.714 16.282 8.156 473 HH22 ARG 58 2HH2 ARG 58 -0.210 16.926 9.682 474 H LEU 59 H LEU 59 -8.094 16.780 6.275 475 HA LEU 59 HA LEU 59 -8.218 18.106 3.762 476 HG LEU 59 HG LEU 59 -8.178 16.227 1.948 477 HB2 LEU 59 1HB LEU 59 -8.694 15.441 4.819 478 HB3 LEU 59 2HB LEU 59 -9.892 15.898 3.597 479 HD11 LEU 59 1HD1 LEU 59 -6.362 16.012 4.298 480 HD12 LEU 59 2HD1 LEU 59 -6.329 17.141 2.944 481 HD13 LEU 59 3HD1 LEU 59 -5.787 15.478 2.718 482 HD21 LEU 59 3HD2 LEU 59 -7.497 13.669 3.377 483 HD22 LEU 59 1HD2 LEU 59 -7.470 13.995 1.644 484 HD23 LEU 59 2HD2 LEU 59 -9.010 13.902 2.499 485 H LYS 60 H LYS 60 -10.844 16.749 5.764 486 HA LYS 60 HA LYS 60 -12.583 18.907 4.763 487 HB2 LYS 60 1HB LYS 60 -14.400 17.033 5.364 488 HB3 LYS 60 2HB LYS 60 -13.652 17.165 3.764 489 HG2 LYS 60 1HG LYS 60 -12.211 15.490 5.726 490 HG3 LYS 60 2HG LYS 60 -13.777 14.880 5.160 491 HD2 LYS 60 1HD LYS 60 -12.115 15.933 2.996 492 HD3 LYS 60 2HD LYS 60 -11.365 14.581 3.864 493 HE2 LYS 60 1HE LYS 60 -13.945 13.696 3.570 494 HE3 LYS 60 2HE LYS 60 -13.689 14.615 2.080 495 HZ1 LYS 60 3HZ LYS 60 -11.991 13.230 1.408 496 HZ2 LYS 60 1HZ LYS 60 -13.043 12.137 2.157 497 HZ3 LYS 60 2HZ LYS 60 -11.661 12.673 2.972 498 H LYS 61 H LYS 61 -12.983 16.388 7.239 499 HA LYS 61 HA LYS 61 -12.583 18.001 9.483 500 HB2 LYS 61 1HB LYS 61 -15.024 18.215 10.180 501 HB3 LYS 61 2HB LYS 61 -14.455 19.325 8.924 502 HG2 LYS 61 1HG LYS 61 -15.796 18.456 7.335 503 HG3 LYS 61 2HG LYS 61 -15.624 16.804 7.953 504 HD2 LYS 61 1HD LYS 61 -17.081 17.532 9.912 505 HD3 LYS 61 2HD LYS 61 -17.435 18.985 8.960 506 HE2 LYS 61 1HE LYS 61 -17.797 16.824 7.198 507 HE3 LYS 61 2HE LYS 61 -18.539 16.337 8.728 508 HZ1 LYS 61 3HZ LYS 61 -19.932 17.645 7.029 509 HZ2 LYS 61 1HZ LYS 61 -19.097 19.001 7.601 510 HZ3 LYS 61 2HZ LYS 61 -20.034 18.076 8.662 511 H LEU 62 H LEU 62 -12.163 16.592 11.042 512 HA LEU 62 HA LEU 62 -12.743 13.836 10.806 513 HG LEU 62 HG LEU 62 -10.194 13.546 11.470 514 HB2 LEU 62 1HB LEU 62 -11.163 15.514 12.465 515 HB3 LEU 62 2HB LEU 62 -12.183 14.518 13.517 516 HD11 LEU 62 1HD1 LEU 62 -10.281 13.214 14.464 517 HD12 LEU 62 2HD1 LEU 62 -9.268 14.372 13.604 518 HD13 LEU 62 3HD1 LEU 62 -9.020 12.642 13.372 519 HD21 LEU 62 3HD2 LEU 62 -12.475 12.213 12.762 520 HD22 LEU 62 1HD2 LEU 62 -10.943 11.343 12.845 521 HD23 LEU 62 2HD2 LEU 62 -11.609 11.808 11.279 522 HA MET 1 HA MET 1 14.334 -15.371 -12.085 523 H1 MET 1 1H MET 1 15.871 -17.594 -12.269 524 HB2 MET 1 1HB MET 1 15.703 -15.525 -14.749 525 HB3 MET 1 2HB MET 1 14.061 -14.872 -14.644 526 HG2 MET 1 1HG MET 1 15.005 -12.901 -14.228 527 HG3 MET 1 2HG MET 1 15.375 -13.550 -12.628 528 HE1 MET 1 3HE MET 1 18.342 -11.463 -13.470 529 HE2 MET 1 1HE MET 1 17.629 -11.422 -15.083 530 HE3 MET 1 2HE MET 1 16.597 -11.288 -13.659 531 H LYS 2 H LYS 2 12.385 -16.235 -11.900 532 HA LYS 2 HA LYS 2 11.764 -18.691 -13.363 533 HB2 LYS 2 1HB LYS 2 11.278 -17.827 -10.734 534 HB3 LYS 2 2HB LYS 2 9.699 -17.830 -11.535 535 HG2 LYS 2 1HG LYS 2 9.721 -19.975 -10.794 536 HG3 LYS 2 2HG LYS 2 10.526 -20.207 -12.355 537 HD2 LYS 2 1HD LYS 2 12.682 -20.263 -11.354 538 HD3 LYS 2 2HD LYS 2 12.042 -19.683 -9.806 539 HE2 LYS 2 1HE LYS 2 11.962 -21.839 -9.195 540 HE3 LYS 2 2HE LYS 2 10.557 -21.952 -10.266 541 HZ1 LYS 2 3HZ LYS 2 12.426 -23.618 -10.603 542 HZ2 LYS 2 1HZ LYS 2 13.301 -22.344 -11.290 543 HZ3 LYS 2 2HZ LYS 2 11.838 -22.834 -11.982 544 H LYS 3 H LYS 3 9.052 -18.657 -13.465 545 HA LYS 3 HA LYS 3 8.167 -16.212 -14.757 546 HB2 LYS 3 1HB LYS 3 8.258 -18.845 -16.251 547 HB3 LYS 3 2HB LYS 3 7.526 -17.344 -16.840 548 HG2 LYS 3 1HG LYS 3 9.836 -16.294 -16.581 549 HG3 LYS 3 2HG LYS 3 10.430 -17.955 -16.412 550 HD2 LYS 3 1HD LYS 3 10.426 -18.207 -18.623 551 HD3 LYS 3 2HD LYS 3 8.688 -17.863 -18.661 552 HE2 LYS 3 1HE LYS 3 9.133 -15.465 -18.787 553 HE3 LYS 3 2HE LYS 3 10.871 -15.780 -18.683 554 HZ1 LYS 3 3HZ LYS 3 9.569 -15.489 -20.980 555 HZ2 LYS 3 1HZ LYS 3 9.466 -17.169 -20.810 556 HZ3 LYS 3 2HZ LYS 3 10.979 -16.413 -20.826 557 H LEU 4 H LEU 4 7.481 -17.963 -12.430 558 HA LEU 4 HA LEU 4 4.616 -18.060 -12.947 559 HG LEU 4 HG LEU 4 4.133 -21.652 -13.073 560 HB2 LEU 4 1HB LEU 4 6.268 -20.390 -12.814 561 HB3 LEU 4 2HB LEU 4 5.209 -20.351 -11.393 562 HD11 LEU 4 1HD1 LEU 4 2.052 -20.520 -13.289 563 HD12 LEU 4 2HD1 LEU 4 2.825 -18.942 -13.146 564 HD13 LEU 4 3HD1 LEU 4 2.763 -20.022 -11.753 565 HD21 LEU 4 3HD2 LEU 4 3.808 -19.559 -15.081 566 HD22 LEU 4 1HD2 LEU 4 4.223 -21.263 -15.272 567 HD23 LEU 4 2HD2 LEU 4 5.478 -20.088 -14.878 568 H ARG 5 H ARG 5 6.859 -19.144 -10.392 569 HA ARG 5 HA ARG 5 5.189 -18.139 -8.311 570 HE ARG 5 HE ARG 5 7.740 -22.611 -9.234 571 HB2 ARG 5 1HB ARG 5 8.111 -18.875 -8.081 572 HB3 ARG 5 2HB ARG 5 6.886 -18.887 -6.803 573 HG2 ARG 5 1HG ARG 5 5.781 -20.777 -7.752 574 HG3 ARG 5 2HG ARG 5 6.787 -20.689 -9.208 575 HD2 ARG 5 1HD ARG 5 8.690 -20.864 -7.258 576 HD3 ARG 5 2HD ARG 5 7.380 -21.833 -6.570 577 HH11 ARG 5 1HH1 ARG 5 9.414 -22.719 -6.184 578 HH12 ARG 5 2HH1 ARG 5 10.282 -24.170 -6.563 579 HH21 ARG 5 1HH2 ARG 5 8.876 -24.521 -9.745 580 HH22 ARG 5 2HH2 ARG 5 9.976 -25.193 -8.590 581 H GLU 6 H GLU 6 8.147 -17.005 -9.880 582 HA GLU 6 HA GLU 6 8.786 -14.884 -8.213 583 HE2 GLU 6 HE2 GLU 6 12.049 -12.087 -11.955 584 HB2 GLU 6 1HB GLU 6 9.865 -15.876 -10.460 585 HB3 GLU 6 2HB GLU 6 9.075 -14.443 -11.133 586 HG2 GLU 6 1HG GLU 6 10.420 -13.631 -8.776 587 HG3 GLU 6 2HG GLU 6 11.535 -14.626 -9.723 588 H GLU 7 H GLU 7 6.205 -15.201 -10.506 589 HA GLU 7 HA GLU 7 5.587 -12.568 -11.079 590 HE2 GLU 7 HE2 GLU 7 3.744 -12.338 -14.862 591 HB2 GLU 7 1HB GLU 7 3.739 -14.918 -10.618 592 HB3 GLU 7 2HB GLU 7 3.223 -13.370 -11.301 593 HG2 GLU 7 1HG GLU 7 5.520 -14.387 -12.718 594 HG3 GLU 7 2HG GLU 7 4.214 -15.581 -12.675 595 H ALA 8 H ALA 8 4.789 -14.471 -8.216 596 HA ALA 8 HA ALA 8 3.059 -12.609 -7.005 597 HB1 ALA 8 3HB ALA 8 2.834 -14.566 -5.910 598 HB2 ALA 8 1HB ALA 8 4.518 -15.024 -6.162 599 HB3 ALA 8 2HB ALA 8 4.094 -13.896 -4.874 600 H ALA 9 H ALA 9 6.518 -12.783 -7.224 601 HA ALA 9 HA ALA 9 7.134 -11.089 -5.030 602 HB1 ALA 9 3HB ALA 9 8.586 -12.632 -6.800 603 HB2 ALA 9 1HB ALA 9 9.058 -10.981 -7.202 604 HB3 ALA 9 2HB ALA 9 9.246 -11.575 -5.551 605 H LYS 10 H LYS 10 6.622 -10.512 -8.484 606 HA LYS 10 HA LYS 10 7.279 -7.760 -8.442 607 HB2 LYS 10 1HB LYS 10 5.346 -9.066 -10.359 608 HB3 LYS 10 2HB LYS 10 6.386 -7.661 -10.643 609 HG2 LYS 10 1HG LYS 10 8.333 -9.336 -10.205 610 HG3 LYS 10 2HG LYS 10 7.101 -10.556 -10.577 611 HD2 LYS 10 1HD LYS 10 7.877 -10.217 -12.692 612 HD3 LYS 10 2HD LYS 10 6.668 -8.923 -12.638 613 HE2 LYS 10 1HE LYS 10 8.620 -7.471 -11.702 614 HE3 LYS 10 2HE LYS 10 9.646 -8.737 -12.394 615 HZ1 LYS 10 3HZ LYS 10 8.723 -8.329 -14.550 616 HZ2 LYS 10 1HZ LYS 10 9.250 -6.854 -13.911 617 HZ3 LYS 10 2HZ LYS 10 7.600 -7.228 -13.927 618 H LEU 11 H LEU 11 4.398 -9.535 -7.647 619 HA LEU 11 HA LEU 11 2.421 -7.629 -7.906 620 HG LEU 11 HG LEU 11 2.587 -10.832 -7.820 621 HB2 LEU 11 1HB LEU 11 2.780 -9.680 -5.715 622 HB3 LEU 11 2HB LEU 11 1.285 -8.783 -6.031 623 HD11 LEU 11 1HD1 LEU 11 1.389 -11.840 -6.008 624 HD12 LEU 11 2HD1 LEU 11 0.422 -12.002 -7.474 625 HD13 LEU 11 3HD1 LEU 11 0.003 -10.782 -6.272 626 HD21 LEU 11 3HD2 LEU 11 0.520 -10.470 -9.220 627 HD22 LEU 11 1HD2 LEU 11 1.723 -9.181 -9.278 628 HD23 LEU 11 2HD2 LEU 11 0.264 -8.982 -8.306 629 H PHE 12 H PHE 12 4.636 -8.124 -5.176 630 HA PHE 12 HA PHE 12 3.579 -5.942 -3.662 631 HD1 PHE 12 HD1 PHE 12 2.769 -6.809 -2.003 632 HD2 PHE 12 HD2 PHE 12 6.023 -9.538 -2.281 633 HE1 PHE 12 HE1 PHE 12 1.452 -8.498 -0.792 634 HE2 PHE 12 HE2 PHE 12 4.712 -11.232 -1.072 635 HZ PHE 12 HZ PHE 12 2.422 -10.713 -0.325 636 HB2 PHE 12 1HB PHE 12 6.156 -7.512 -3.408 637 HB3 PHE 12 2HB PHE 12 5.624 -6.292 -2.248 638 H GLU 13 H GLU 13 6.006 -6.297 -6.109 639 HA GLU 13 HA GLU 13 7.580 -4.043 -5.612 640 HE2 GLU 13 HE2 GLU 13 9.455 -4.615 -10.869 641 HB2 GLU 13 1HB GLU 13 7.570 -6.024 -7.489 642 HB3 GLU 13 2HB GLU 13 7.062 -4.627 -8.450 643 HG2 GLU 13 1HG GLU 13 9.171 -3.613 -7.020 644 HG3 GLU 13 2HG GLU 13 9.671 -5.282 -7.335 645 H GLU 14 H GLU 14 4.469 -4.381 -7.200 646 HA GLU 14 HA GLU 14 4.408 -1.710 -8.226 647 HE2 GLU 14 HE2 GLU 14 1.182 -5.107 -11.785 648 HB2 GLU 14 1HB GLU 14 2.038 -3.519 -7.731 649 HB3 GLU 14 2HB GLU 14 2.160 -2.183 -8.886 650 HG2 GLU 14 1HG GLU 14 4.129 -3.640 -9.864 651 HG3 GLU 14 2HG GLU 14 3.240 -4.943 -9.062 652 H TRP 15 H TRP 15 3.311 -3.302 -5.301 653 HA TRP 15 HA TRP 15 1.595 -1.352 -4.298 654 HD1 TRP 15 HD1 TRP 15 1.078 -3.740 -5.308 655 HE1 TRP 15 HE1 TRP 15 -0.816 -5.409 -4.806 656 HE3 TRP 15 HE3 TRP 15 1.472 -3.906 -0.214 657 HZ2 TRP 15 HZ2 TRP 15 -1.988 -6.633 -2.550 658 HZ3 TRP 15 HZ3 TRP 15 -0.074 -5.351 1.042 659 HH2 TRP 15 HH2 TRP 15 -1.768 -6.684 -0.103 660 HB2 TRP 15 1HB TRP 15 3.404 -3.345 -2.925 661 HB3 TRP 15 2HB TRP 15 2.332 -2.275 -2.022 662 H LYS 16 H LYS 16 5.085 -1.752 -3.697 663 HA LYS 16 HA LYS 16 5.336 0.625 -2.171 664 HB2 LYS 16 1HB LYS 16 6.905 -1.476 -2.395 665 HB3 LYS 16 2HB LYS 16 7.642 -0.524 -3.694 666 HG2 LYS 16 1HG LYS 16 7.525 1.321 -1.697 667 HG3 LYS 16 2HG LYS 16 7.791 -0.178 -0.789 668 HD2 LYS 16 1HD LYS 16 9.799 -0.657 -1.956 669 HD3 LYS 16 2HD LYS 16 9.457 0.578 -3.180 670 HE2 LYS 16 1HE LYS 16 9.443 2.136 -0.987 671 HE3 LYS 16 2HE LYS 16 10.551 0.866 -0.444 672 HZ1 LYS 16 3HZ LYS 16 10.845 2.603 -2.829 673 HZ2 LYS 16 1HZ LYS 16 11.813 1.244 -2.548 674 HZ3 LYS 16 2HZ LYS 16 11.845 2.544 -1.466 675 H LYS 17 H LYS 17 5.309 -0.035 -5.564 676 HA LYS 17 HA LYS 17 6.638 2.351 -6.399 677 HB2 LYS 17 1HB LYS 17 5.643 0.001 -7.619 678 HB3 LYS 17 2HB LYS 17 4.819 1.365 -8.393 679 HG2 LYS 17 1HG LYS 17 6.979 2.398 -8.904 680 HG3 LYS 17 2HG LYS 17 7.802 1.027 -8.138 681 HD2 LYS 17 1HD LYS 17 7.829 0.087 -10.169 682 HD3 LYS 17 2HD LYS 17 6.095 -0.195 -9.924 683 HE2 LYS 17 1HE LYS 17 5.506 1.794 -11.100 684 HE3 LYS 17 2HE LYS 17 7.185 2.348 -11.110 685 HZ1 LYS 17 3HZ LYS 17 7.338 1.407 -13.099 686 HZ2 LYS 17 1HZ LYS 17 5.852 0.614 -12.937 687 HZ3 LYS 17 2HZ LYS 17 7.262 -0.099 -12.333 688 H LEU 18 H LEU 18 3.210 1.362 -6.473 689 HA LEU 18 HA LEU 18 2.149 3.780 -7.337 690 HG LEU 18 HG LEU 18 1.754 0.969 -7.761 691 HB2 LEU 18 1HB LEU 18 0.832 1.882 -5.391 692 HB3 LEU 18 2HB LEU 18 0.037 3.014 -6.498 693 HD11 LEU 18 1HD1 LEU 18 -0.201 0.217 -5.814 694 HD12 LEU 18 2HD1 LEU 18 0.828 -0.807 -6.813 695 HD13 LEU 18 3HD1 LEU 18 -0.742 -0.277 -7.418 696 HD21 LEU 18 3HD2 LEU 18 -0.768 2.448 -8.306 697 HD22 LEU 18 1HD2 LEU 18 -0.519 0.892 -9.100 698 HD23 LEU 18 2HD2 LEU 18 0.644 2.198 -9.334 699 H ALA 19 H ALA 19 3.365 2.862 -4.230 700 HA ALA 19 HA ALA 19 2.061 4.907 -2.722 701 HB1 ALA 19 3HB ALA 19 2.973 3.898 -0.949 702 HB2 ALA 19 1HB ALA 19 3.483 2.653 -2.090 703 HB3 ALA 19 2HB ALA 19 4.595 3.947 -1.641 704 H GLU 20 H GLU 20 4.988 4.711 -4.604 705 HA GLU 20 HA GLU 20 6.218 7.051 -3.527 706 HE2 GLU 20 HE2 GLU 20 10.879 5.992 -4.287 707 HB2 GLU 20 1HB GLU 20 6.681 5.649 -6.172 708 HB3 GLU 20 2HB GLU 20 7.737 6.877 -5.456 709 HG2 GLU 20 1HG GLU 20 7.192 4.625 -3.672 710 HG3 GLU 20 2HG GLU 20 8.014 4.174 -5.172 711 H GLU 21 H GLU 21 4.420 6.386 -6.526 712 HA GLU 21 HA GLU 21 4.522 8.962 -7.596 713 HE2 GLU 21 HE2 GLU 21 1.374 4.873 -10.574 714 HB2 GLU 21 1HB GLU 21 2.384 8.274 -8.792 715 HB3 GLU 21 2HB GLU 21 3.793 7.229 -9.025 716 HG2 GLU 21 1HG GLU 21 2.940 5.604 -7.484 717 HG3 GLU 21 2HG GLU 21 1.606 6.676 -7.036 718 H ALA 22 H ALA 22 2.336 7.535 -5.239 719 HA ALA 22 HA ALA 22 0.539 9.764 -5.185 720 HB1 ALA 22 3HB ALA 22 -0.057 8.541 -2.907 721 HB2 ALA 22 1HB ALA 22 -0.572 7.912 -4.472 722 HB3 ALA 22 2HB ALA 22 0.846 7.233 -3.671 723 H ALA 23 H ALA 23 3.395 8.793 -3.402 724 HA ALA 23 HA ALA 23 3.114 10.680 -1.289 725 HB1 ALA 23 3HB ALA 23 4.652 9.283 -0.493 726 HB2 ALA 23 1HB ALA 23 5.030 8.669 -2.103 727 HB3 ALA 23 2HB ALA 23 5.823 10.127 -1.505 728 H LYS 24 H LYS 24 5.161 10.626 -4.207 729 HA LYS 24 HA LYS 24 6.311 13.157 -3.843 730 HB2 LYS 24 1HB LYS 24 6.802 13.059 -6.284 731 HB3 LYS 24 2HB LYS 24 7.279 11.599 -5.402 732 HG2 LYS 24 1HG LYS 24 6.240 10.494 -7.042 733 HG3 LYS 24 2HG LYS 24 4.753 10.956 -6.193 734 HD2 LYS 24 1HD LYS 24 4.456 11.544 -8.485 735 HD3 LYS 24 2HD LYS 24 4.714 13.048 -7.584 736 HE2 LYS 24 1HE LYS 24 7.263 12.052 -8.400 737 HE3 LYS 24 2HE LYS 24 6.178 12.044 -9.798 738 HZ1 LYS 24 3HZ LYS 24 7.057 14.327 -8.160 739 HZ2 LYS 24 1HZ LYS 24 5.599 14.415 -9.013 740 HZ3 LYS 24 2HZ LYS 24 7.050 14.160 -9.844 741 H LEU 25 H LEU 25 3.320 12.155 -5.411 742 HA LEU 25 HA LEU 25 2.729 14.763 -6.448 743 HG LEU 25 HG LEU 25 2.630 12.488 -8.270 744 HB2 LEU 25 1HB LEU 25 1.293 12.147 -6.268 745 HB3 LEU 25 2HB LEU 25 0.371 13.619 -6.620 746 HD11 LEU 25 1HD1 LEU 25 -0.243 12.832 -9.065 747 HD12 LEU 25 2HD1 LEU 25 0.351 11.355 -8.306 748 HD13 LEU 25 3HD1 LEU 25 1.014 11.879 -9.854 749 HD21 LEU 25 3HD2 LEU 25 2.859 14.490 -9.194 750 HD22 LEU 25 1HD2 LEU 25 1.675 15.152 -8.067 751 HD23 LEU 25 2HD2 LEU 25 1.147 14.498 -9.618 752 H LEU 26 H LEU 26 1.787 12.887 -3.615 753 HA LEU 26 HA LEU 26 -0.294 14.387 -2.626 754 HG LEU 26 HG LEU 26 -0.596 11.902 -2.023 755 HB2 LEU 26 1HB LEU 26 1.773 12.629 -1.483 756 HB3 LEU 26 2HB LEU 26 1.053 13.779 -0.342 757 HD11 LEU 26 1HD1 LEU 26 -0.389 10.230 -0.526 758 HD12 LEU 26 2HD1 LEU 26 -0.196 11.328 0.841 759 HD13 LEU 26 3HD1 LEU 26 1.173 10.988 -0.218 760 HD21 LEU 26 3HD2 LEU 26 -2.209 12.339 -0.118 761 HD22 LEU 26 1HD2 LEU 26 -1.911 13.686 -1.218 762 HD23 LEU 26 2HD2 LEU 26 -1.131 13.651 0.364 763 H GLU 27 H GLU 27 3.180 14.983 -2.264 764 HA GLU 27 HA GLU 27 2.626 17.502 -0.890 765 HE2 GLU 27 HE2 GLU 27 6.409 17.393 2.461 766 HB2 GLU 27 1HB GLU 27 5.245 16.104 -1.483 767 HB3 GLU 27 2HB GLU 27 5.072 17.598 -0.548 768 HG2 GLU 27 1HG GLU 27 3.325 15.686 0.598 769 HG3 GLU 27 2HG GLU 27 4.891 14.902 0.340 770 H GLY 28 H GLY 28 3.112 16.367 -4.012 771 HA2 GLY 28 1HA GLY 28 3.408 17.433 -6.024 772 HA3 GLY 28 2HA GLY 28 3.019 18.924 -5.179 773 H GLY 29 H GLY 29 5.675 17.144 -3.939 774 HA2 GLY 29 1HA GLY 29 7.975 17.334 -4.347 775 HA3 GLY 29 2HA GLY 29 7.636 18.549 -5.569 776 H GLY 30 H GLY 30 6.066 18.961 -2.545 777 HA2 GLY 30 1HA GLY 30 7.451 20.064 -0.688 778 HA3 GLY 30 2HA GLY 30 7.896 21.194 -1.958 779 H GLY 31 H GLY 31 5.256 20.009 0.036 780 HA2 GLY 31 1HA GLY 31 4.020 22.635 -0.085 781 HA3 GLY 31 2HA GLY 31 3.059 21.324 -0.754 782 H GLY 32 H GLY 32 2.463 23.012 1.537 783 HA2 GLY 32 1HA GLY 32 1.687 22.836 3.692 784 HA3 GLY 32 2HA GLY 32 1.350 21.165 3.268 785 H GLY 33 H GLY 33 1.975 20.062 5.037 786 HA2 GLY 33 1HA GLY 33 4.699 19.580 5.520 787 HA3 GLY 33 2HA GLY 33 4.127 20.738 6.712 788 H GLY 34 H GLY 34 3.082 20.007 8.473 789 HA2 GLY 34 1HA GLY 34 1.681 18.544 9.685 790 HA3 GLY 34 2HA GLY 34 1.886 17.338 8.423 791 H GLY 35 H GLY 35 4.618 17.154 8.232 792 HA2 GLY 35 1HA GLY 35 6.550 16.486 9.356 793 HA3 GLY 35 2HA GLY 35 5.724 16.750 10.884 794 H GLU 36 H GLU 36 4.314 15.110 11.687 795 HA GLU 36 HA GLU 36 5.304 12.486 11.267 796 HE2 GLU 36 HE2 GLU 36 2.299 12.045 15.970 797 HB2 GLU 36 1HB GLU 36 4.525 12.978 13.439 798 HB3 GLU 36 2HB GLU 36 2.981 13.592 12.828 799 HG2 GLU 36 1HG GLU 36 2.321 11.343 12.159 800 HG3 GLU 36 2HG GLU 36 3.872 10.718 12.741 801 H LEU 37 H LEU 37 2.757 14.317 9.840 802 HA LEU 37 HA LEU 37 0.957 12.399 9.016 803 HG LEU 37 HG LEU 37 1.140 13.469 5.884 804 HB2 LEU 37 1HB LEU 37 0.394 14.624 8.576 805 HB3 LEU 37 2HB LEU 37 1.930 14.933 7.748 806 HD11 LEU 37 1HD1 LEU 37 -1.006 12.630 5.771 807 HD12 LEU 37 2HD1 LEU 37 -1.617 13.734 7.003 808 HD13 LEU 37 3HD1 LEU 37 -0.598 12.372 7.468 809 HD21 LEU 37 3HD2 LEU 37 -0.845 15.667 6.299 810 HD22 LEU 37 1HD2 LEU 37 0.003 15.185 4.830 811 HD23 LEU 37 2HD2 LEU 37 0.869 16.041 6.107 812 H MET 38 H MET 38 3.828 13.517 7.216 813 HA MET 38 HA MET 38 3.601 11.665 5.117 814 HB2 MET 38 1HB MET 38 4.981 13.589 4.817 815 HB3 MET 38 2HB MET 38 5.974 13.167 6.220 816 HG2 MET 38 1HG MET 38 6.784 11.161 5.031 817 HG3 MET 38 2HG MET 38 5.836 11.651 3.624 818 HE1 MET 38 3HE MET 38 6.823 15.234 3.822 819 HE2 MET 38 1HE MET 38 7.358 14.683 2.235 820 HE3 MET 38 2HE MET 38 5.849 14.075 2.916 821 H LYS 39 H LYS 39 5.255 11.499 8.228 822 HA LYS 39 HA LYS 39 6.755 9.197 7.867 823 HB2 LYS 39 1HB LYS 39 6.849 10.688 9.855 824 HB3 LYS 39 2HB LYS 39 5.304 10.011 10.393 825 HG2 LYS 39 1HG LYS 39 6.809 7.754 10.003 826 HG3 LYS 39 2HG LYS 39 8.001 8.921 10.602 827 HD2 LYS 39 1HD LYS 39 6.025 9.430 12.339 828 HD3 LYS 39 2HD LYS 39 5.649 7.739 11.964 829 HE2 LYS 39 1HE LYS 39 7.209 7.130 13.438 830 HE3 LYS 39 2HE LYS 39 8.416 7.802 12.333 831 HZ1 LYS 39 3HZ LYS 39 7.790 8.690 14.882 832 HZ2 LYS 39 1HZ LYS 39 7.232 9.885 13.824 833 HZ3 LYS 39 2HZ LYS 39 8.853 9.403 13.778 834 H LEU 40 H LEU 40 3.328 9.560 8.523 835 HA LEU 40 HA LEU 40 2.856 6.793 9.060 836 HG LEU 40 HG LEU 40 1.979 8.991 10.737 837 HB2 LEU 40 1HB LEU 40 1.062 9.123 8.406 838 HB3 LEU 40 2HB LEU 40 0.440 7.479 8.629 839 HD11 LEU 40 1HD1 LEU 40 -0.786 9.215 9.887 840 HD12 LEU 40 2HD1 LEU 40 0.141 10.216 11.005 841 HD13 LEU 40 3HD1 LEU 40 -0.639 8.741 11.579 842 HD21 LEU 40 3HD2 LEU 40 1.792 7.171 12.023 843 HD22 LEU 40 1HD2 LEU 40 1.494 6.307 10.516 844 HD23 LEU 40 2HD2 LEU 40 0.137 6.855 11.500 845 H CYS 41 H CYS 41 2.762 8.835 6.208 846 HA CYS 41 HA CYS 41 1.526 6.876 4.527 847 HG CYS 41 HG CYS 41 1.562 11.090 4.393 848 HB2 CYS 41 1HB CYS 41 3.189 9.237 3.652 849 HB3 CYS 41 2HB CYS 41 1.931 8.404 2.725 850 H GLU 42 H GLU 42 4.792 7.679 5.437 851 HA GLU 42 HA GLU 42 6.171 6.411 3.344 852 HE2 GLU 42 HE2 GLU 42 11.297 7.726 4.653 853 HB2 GLU 42 1HB GLU 42 6.795 7.490 5.985 854 HB3 GLU 42 2HB GLU 42 7.786 6.082 5.568 855 HG2 GLU 42 1HG GLU 42 8.177 7.311 3.322 856 HG3 GLU 42 2HG GLU 42 7.623 8.738 4.210 857 H GLU 43 H GLU 43 4.520 5.158 6.118 858 HA GLU 43 HA GLU 43 5.760 2.700 6.468 859 HE2 GLU 43 HE2 GLU 43 7.163 4.375 8.576 860 HB2 GLU 43 1HB GLU 43 2.791 3.257 6.663 861 HB3 GLU 43 2HB GLU 43 3.670 1.935 7.448 862 HG2 GLU 43 1HG GLU 43 3.745 4.871 8.072 863 HG3 GLU 43 2HG GLU 43 3.335 3.514 9.132 864 H ALA 44 H ALA 44 3.438 3.726 4.045 865 HA ALA 44 HA ALA 44 2.610 1.309 3.005 866 HB1 ALA 44 3HB ALA 44 2.904 4.046 1.945 867 HB2 ALA 44 1HB ALA 44 2.771 2.755 0.749 868 HB3 ALA 44 2HB ALA 44 1.503 2.975 1.956 869 H ALA 45 H ALA 45 5.594 3.089 2.338 870 HA ALA 45 HA ALA 45 6.517 1.233 0.361 871 HB1 ALA 45 3HB ALA 45 7.616 3.142 -0.066 872 HB2 ALA 45 1HB ALA 45 7.495 3.703 1.601 873 HB3 ALA 45 2HB ALA 45 8.758 2.560 1.144 874 H LYS 46 H LYS 46 6.634 1.410 3.802 875 HA LYS 46 HA LYS 46 8.922 -0.263 4.171 876 HB2 LYS 46 1HB LYS 46 7.171 1.265 5.806 877 HB3 LYS 46 2HB LYS 46 7.147 -0.399 6.411 878 HG2 LYS 46 1HG LYS 46 9.757 0.958 5.835 879 HG3 LYS 46 2HG LYS 46 8.886 1.268 7.348 880 HD2 LYS 46 1HD LYS 46 9.182 -0.872 8.137 881 HD3 LYS 46 2HD LYS 46 9.296 -1.560 6.507 882 HE2 LYS 46 1HE LYS 46 11.488 -1.717 7.260 883 HE3 LYS 46 2HE LYS 46 11.497 -0.203 6.346 884 HZ1 LYS 46 3HZ LYS 46 11.746 1.035 8.206 885 HZ2 LYS 46 1HZ LYS 46 12.463 -0.384 8.785 886 HZ3 LYS 46 2HZ LYS 46 10.860 -0.022 9.186 887 H LYS 47 H LYS 47 5.413 -0.807 4.378 888 HA LYS 47 HA LYS 47 5.564 -3.557 4.971 889 HB2 LYS 47 1HB LYS 47 3.458 -1.692 3.986 890 HB3 LYS 47 2HB LYS 47 3.172 -3.430 3.800 891 HG2 LYS 47 1HG LYS 47 2.161 -2.696 5.847 892 HG3 LYS 47 2HG LYS 47 3.561 -3.712 6.227 893 HD2 LYS 47 1HD LYS 47 4.922 -1.643 6.530 894 HD3 LYS 47 2HD LYS 47 3.438 -0.699 6.307 895 HE2 LYS 47 1HE LYS 47 3.442 -0.827 8.589 896 HE3 LYS 47 2HE LYS 47 2.551 -2.309 8.211 897 HZ1 LYS 47 3HZ LYS 47 4.093 -3.430 9.308 898 HZ2 LYS 47 1HZ LYS 47 5.013 -2.031 9.555 899 HZ3 LYS 47 2HZ LYS 47 5.248 -2.963 8.163 900 H ALA 48 H ALA 48 4.952 -1.893 1.880 901 HA ALA 48 HA ALA 48 4.797 -4.143 0.253 902 HB1 ALA 48 3HB ALA 48 5.292 -2.660 -1.605 903 HB2 ALA 48 1HB ALA 48 4.185 -1.882 -0.474 904 HB3 ALA 48 2HB ALA 48 5.891 -1.432 -0.489 905 H GLU 49 H GLU 49 7.599 -2.428 1.490 906 HA GLU 49 HA GLU 49 9.512 -3.706 -0.183 907 HE2 GLU 49 HE2 GLU 49 12.294 -2.805 4.706 908 HB2 GLU 49 1HB GLU 49 10.059 -1.601 0.854 909 HB3 GLU 49 2HB GLU 49 9.796 -2.284 2.466 910 HG2 GLU 49 1HG GLU 49 11.793 -3.711 0.855 911 HG3 GLU 49 2HG GLU 49 12.212 -2.038 1.253 912 H GLU 50 H GLU 50 8.297 -4.334 3.081 913 HA GLU 50 HA GLU 50 10.051 -6.531 3.570 914 HE2 GLU 50 HE2 GLU 50 8.271 -6.606 8.959 915 HB2 GLU 50 1HB GLU 50 9.138 -5.313 5.439 916 HB3 GLU 50 2HB GLU 50 7.486 -5.667 4.910 917 HG2 GLU 50 1HG GLU 50 7.886 -8.067 5.308 918 HG3 GLU 50 2HG GLU 50 9.501 -7.667 5.910 919 H LEU 51 H LEU 51 6.969 -6.153 2.027 920 HA LEU 51 HA LEU 51 6.159 -8.883 2.180 921 HG LEU 51 HG LEU 51 4.670 -6.689 2.912 922 HB2 LEU 51 1HB LEU 51 5.329 -6.629 0.347 923 HB3 LEU 51 2HB LEU 51 4.570 -8.230 0.366 924 HD11 LEU 51 1HD1 LEU 51 3.511 -5.655 0.512 925 HD12 LEU 51 2HD1 LEU 51 3.527 -4.960 2.133 926 HD13 LEU 51 3HD1 LEU 51 2.233 -6.061 1.657 927 HD21 LEU 51 3HD2 LEU 51 3.706 -8.764 3.217 928 HD22 LEU 51 1HD2 LEU 51 2.944 -8.762 1.627 929 HD23 LEU 51 2HD2 LEU 51 2.294 -7.752 2.918 930 H PHE 52 H PHE 52 7.784 -6.924 -0.286 931 HA PHE 52 HA PHE 52 7.887 -8.816 -2.326 932 HD1 PHE 52 HD1 PHE 52 11.876 -7.778 -2.122 933 HD2 PHE 52 HD2 PHE 52 8.732 -7.468 -4.975 934 HE1 PHE 52 HE1 PHE 52 13.431 -8.452 -3.905 935 HE2 PHE 52 HE2 PHE 52 10.282 -8.142 -6.762 936 HZ PHE 52 HZ PHE 52 12.636 -8.636 -6.228 937 HB2 PHE 52 1HB PHE 52 8.479 -6.528 -2.768 938 HB3 PHE 52 2HB PHE 52 9.808 -6.596 -1.610 939 H LYS 53 H LYS 53 9.634 -8.635 0.642 940 HA LYS 53 HA LYS 53 11.841 -10.274 -0.117 941 HB2 LYS 53 1HB LYS 53 12.128 -8.837 1.762 942 HB3 LYS 53 2HB LYS 53 10.691 -9.493 2.561 943 HG2 LYS 53 1HG LYS 53 12.880 -11.397 1.936 944 HG3 LYS 53 2HG LYS 53 13.154 -10.220 3.232 945 HD2 LYS 53 1HD LYS 53 10.543 -11.248 3.603 946 HD3 LYS 53 2HD LYS 53 11.610 -12.627 3.288 947 HE2 LYS 53 1HE LYS 53 11.811 -12.416 5.581 948 HE3 LYS 53 2HE LYS 53 13.183 -11.458 5.006 949 HZ1 LYS 53 3HZ LYS 53 10.559 -10.434 5.937 950 HZ2 LYS 53 1HZ LYS 53 11.731 -9.468 5.191 951 HZ3 LYS 53 2HZ LYS 53 12.067 -10.212 6.672 952 H LEU 54 H LEU 54 8.799 -10.896 1.610 953 HA LEU 54 HA LEU 54 9.181 -13.581 2.196 954 HG LEU 54 HG LEU 54 6.348 -14.739 1.917 955 HB2 LEU 54 1HB LEU 54 7.303 -12.059 2.946 956 HB3 LEU 54 2HB LEU 54 6.549 -12.378 1.374 957 HD11 LEU 54 1HD1 LEU 54 6.801 -15.133 4.523 958 HD12 LEU 54 2HD1 LEU 54 8.066 -13.952 4.189 959 HD13 LEU 54 3HD1 LEU 54 8.003 -15.461 3.276 960 HD21 LEU 54 3HD2 LEU 54 4.522 -14.531 3.296 961 HD22 LEU 54 1HD2 LEU 54 4.724 -12.865 2.754 962 HD23 LEU 54 2HD2 LEU 54 5.309 -13.352 4.345 963 H ALA 55 H ALA 55 8.504 -12.047 -0.828 964 HA ALA 55 HA ALA 55 7.339 -14.092 -2.291 965 HB1 ALA 55 3HB ALA 55 9.422 -12.228 -3.401 966 HB2 ALA 55 1HB ALA 55 8.060 -12.967 -4.244 967 HB3 ALA 55 2HB ALA 55 7.775 -11.718 -3.031 968 H GLU 56 H GLU 56 10.692 -13.632 -1.355 969 HA GLU 56 HA GLU 56 11.944 -15.437 -3.050 970 HE2 GLU 56 HE2 GLU 56 16.956 -15.618 0.096 971 HB2 GLU 56 1HB GLU 56 13.356 -14.093 -1.752 972 HB3 GLU 56 2HB GLU 56 12.535 -14.535 -0.247 973 HG2 GLU 56 1HG GLU 56 13.456 -16.783 -0.365 974 HG3 GLU 56 2HG GLU 56 14.246 -16.382 -1.896 975 H GLU 57 H GLU 57 9.927 -16.005 -0.278 976 HA GLU 57 HA GLU 57 10.692 -18.662 0.277 977 HE2 GLU 57 HE2 GLU 57 6.109 -18.864 4.008 978 HB2 GLU 57 1HB GLU 57 9.372 -17.246 1.817 979 HB3 GLU 57 2HB GLU 57 7.998 -17.361 0.706 980 HG2 GLU 57 1HG GLU 57 8.372 -19.950 1.023 981 HG3 GLU 57 2HG GLU 57 9.142 -19.414 2.525 982 H ARG 58 H ARG 58 8.100 -17.328 -1.752 983 HA ARG 58 HA ARG 58 7.239 -19.921 -2.639 984 HE ARG 58 HE ARG 58 4.834 -14.816 -3.096 985 HB2 ARG 58 1HB ARG 58 6.596 -17.246 -3.893 986 HB3 ARG 58 2HB ARG 58 5.668 -18.748 -4.015 987 HG2 ARG 58 1HG ARG 58 4.398 -17.901 -2.390 988 HG3 ARG 58 2HG ARG 58 5.735 -18.340 -1.314 989 HD2 ARG 58 1HD ARG 58 5.672 -16.159 -0.734 990 HD3 ARG 58 2HD ARG 58 6.605 -15.948 -2.222 991 HH11 ARG 58 1HH1 ARG 58 3.677 -16.852 -0.520 992 HH12 ARG 58 2HH1 ARG 58 2.051 -16.258 -0.604 993 HH21 ARG 58 1HH2 ARG 58 2.698 -14.026 -3.218 994 HH22 ARG 58 2HH2 ARG 58 1.496 -14.652 -2.139 995 H LEU 59 H LEU 59 9.412 -17.440 -3.794 996 HA LEU 59 HA LEU 59 9.667 -18.468 -6.446 997 HG LEU 59 HG LEU 59 12.569 -17.375 -7.048 998 HB2 LEU 59 1HB LEU 59 10.151 -16.112 -5.745 999 HB3 LEU 59 2HB LEU 59 11.606 -16.723 -4.937 1000 HD11 LEU 59 1HD1 LEU 59 9.829 -16.823 -8.053 1001 HD12 LEU 59 2HD1 LEU 59 10.950 -18.118 -8.470 1002 HD13 LEU 59 3HD1 LEU 59 11.193 -16.499 -9.124 1003 HD21 LEU 59 3HD2 LEU 59 11.419 -14.609 -7.363 1004 HD22 LEU 59 1HD2 LEU 59 12.944 -15.224 -8.001 1005 HD23 LEU 59 2HD2 LEU 59 12.742 -15.003 -6.263 1006 H LYS 60 H LYS 60 12.018 -18.379 -3.760 1007 HA LYS 60 HA LYS 60 13.105 -20.928 -4.766 1008 HB2 LYS 60 1HB LYS 60 15.215 -19.934 -3.428 1009 HB3 LYS 60 2HB LYS 60 14.936 -19.641 -5.152 1010 HG2 LYS 60 1HG LYS 60 13.693 -17.737 -3.246 1011 HG3 LYS 60 2HG LYS 60 15.455 -17.686 -3.425 1012 HD2 LYS 60 1HD LYS 60 14.156 -17.885 -6.008 1013 HD3 LYS 60 2HD LYS 60 13.564 -16.488 -5.090 1014 HE2 LYS 60 1HE LYS 60 16.249 -16.313 -4.634 1015 HE3 LYS 60 2HE LYS 60 16.209 -16.990 -6.268 1016 HZ1 LYS 60 3HZ LYS 60 15.128 -15.146 -7.104 1017 HZ2 LYS 60 1HZ LYS 60 16.176 -14.451 -5.971 1018 HZ3 LYS 60 2HZ LYS 60 14.540 -14.656 -5.595 1019 H LYS 61 H LYS 61 13.737 -19.054 -1.820 1020 HA LYS 61 HA LYS 61 12.203 -20.576 -0.051 1021 HB2 LYS 61 1HB LYS 61 14.122 -21.850 1.044 1022 HB3 LYS 61 2HB LYS 61 13.507 -22.493 -0.488 1023 HG2 LYS 61 1HG LYS 61 15.432 -22.110 -1.592 1024 HG3 LYS 61 2HG LYS 61 15.749 -20.600 -0.719 1025 HD2 LYS 61 1HD LYS 61 16.283 -22.042 1.310 1026 HD3 LYS 61 2HD LYS 61 16.280 -23.418 0.193 1027 HE2 LYS 61 1HE LYS 61 17.866 -21.452 -1.042 1028 HE3 LYS 61 2HE LYS 61 18.331 -21.452 0.666 1029 HZ1 LYS 61 3HZ LYS 61 19.494 -23.064 -0.945 1030 HZ2 LYS 61 1HZ LYS 61 18.092 -24.000 -0.795 1031 HZ3 LYS 61 2HZ LYS 61 19.019 -23.639 0.574 1032 H LEU 62 H LEU 62 11.973 -19.292 1.652 1033 HA LEU 62 HA LEU 62 13.580 -17.008 2.069 1034 HG LEU 62 HG LEU 62 11.235 -15.787 2.306 1035 HB2 LEU 62 1HB LEU 62 11.141 -18.071 3.061 1036 HB3 LEU 62 2HB LEU 62 12.172 -17.688 4.452 1037 HD11 LEU 62 1HD1 LEU 62 10.729 -15.827 5.277 1038 HD12 LEU 62 2HD1 LEU 62 9.595 -16.392 4.051 1039 HD13 LEU 62 3HD1 LEU 62 10.062 -14.693 4.103 1040 HD21 LEU 62 3HD2 LEU 62 13.470 -15.631 4.212 1041 HD22 LEU 62 1HD2 LEU 62 12.400 -14.230 4.183 1042 HD23 LEU 62 2HD2 LEU 62 13.199 -14.761 2.701 1043 HC1 HLT 101 HC1 HLT 101 -1.221 1.262 -1.204 Start of MODEL 6 1 HA MET 1 HA MET 1 -14.396 26.213 2.638 2 H1 MET 1 1H MET 1 -15.893 25.598 4.423 3 HB2 MET 1 1HB MET 1 -12.857 25.384 5.109 4 HB3 MET 1 2HB MET 1 -12.224 26.431 3.829 5 HG2 MET 1 1HG MET 1 -14.789 27.329 4.924 6 HG3 MET 1 2HG MET 1 -13.472 27.281 6.101 7 HE1 MET 1 3HE MET 1 -14.704 29.561 5.981 8 HE2 MET 1 1HE MET 1 -13.274 30.592 6.048 9 HE3 MET 1 2HE MET 1 -14.447 30.793 4.747 10 H LYS 2 H LYS 2 -15.086 23.728 1.815 11 HA LYS 2 HA LYS 2 -12.583 22.232 1.491 12 HB2 LYS 2 1HB LYS 2 -15.486 21.524 1.097 13 HB3 LYS 2 2HB LYS 2 -14.188 20.518 0.432 14 HG2 LYS 2 1HG LYS 2 -14.564 19.453 2.421 15 HG3 LYS 2 2HG LYS 2 -13.284 20.588 2.889 16 HD2 LYS 2 1HD LYS 2 -14.978 20.680 4.574 17 HD3 LYS 2 2HD LYS 2 -15.068 22.178 3.632 18 HE2 LYS 2 1HE LYS 2 -16.747 20.091 2.496 19 HE3 LYS 2 2HE LYS 2 -17.159 20.435 4.182 20 HZ1 LYS 2 3HZ LYS 2 -16.810 22.898 3.025 21 HZ2 LYS 2 1HZ LYS 2 -18.285 22.169 3.418 22 HZ3 LYS 2 2HZ LYS 2 -17.648 22.004 1.860 23 H LYS 3 H LYS 3 -11.711 21.784 -0.510 24 HA LYS 3 HA LYS 3 -13.030 22.692 -2.921 25 HB2 LYS 3 1HB LYS 3 -10.494 23.970 -1.886 26 HB3 LYS 3 2HB LYS 3 -11.007 24.071 -3.578 27 HG2 LYS 3 1HG LYS 3 -13.177 25.069 -2.737 28 HG3 LYS 3 2HG LYS 3 -12.380 25.207 -1.160 29 HD2 LYS 3 1HD LYS 3 -10.630 26.240 -3.182 30 HD3 LYS 3 2HD LYS 3 -12.229 26.987 -3.348 31 HE2 LYS 3 1HE LYS 3 -11.372 28.416 -1.797 32 HE3 LYS 3 2HE LYS 3 -11.978 27.166 -0.700 33 HZ1 LYS 3 3HZ LYS 3 -9.546 28.037 -0.501 34 HZ2 LYS 3 1HZ LYS 3 -9.244 26.920 -1.736 35 HZ3 LYS 3 2HZ LYS 3 -9.886 26.397 -0.262 36 H LEU 4 H LEU 4 -9.830 21.742 -1.661 37 HA LEU 4 HA LEU 4 -9.776 19.593 -3.663 38 HG LEU 4 HG LEU 4 -7.412 21.730 -5.536 39 HB2 LEU 4 1HB LEU 4 -7.567 21.552 -3.029 40 HB3 LEU 4 2HB LEU 4 -7.310 20.031 -3.900 41 HD11 LEU 4 1HD1 LEU 4 -10.216 20.930 -5.849 42 HD12 LEU 4 2HD1 LEU 4 -9.088 19.600 -5.582 43 HD13 LEU 4 3HD1 LEU 4 -8.840 20.708 -6.930 44 HD21 LEU 4 3HD2 LEU 4 -10.065 22.779 -5.110 45 HD22 LEU 4 1HD2 LEU 4 -8.533 23.633 -5.292 46 HD23 LEU 4 2HD2 LEU 4 -9.038 23.057 -3.703 47 H ARG 5 H ARG 5 -10.080 20.071 -0.589 48 HA ARG 5 HA ARG 5 -7.895 18.664 0.584 49 HE ARG 5 HE ARG 5 -8.373 21.563 4.062 50 HB2 ARG 5 1HB ARG 5 -10.662 18.982 1.754 51 HB3 ARG 5 2HB ARG 5 -9.136 18.748 2.620 52 HG2 ARG 5 1HG ARG 5 -8.373 20.948 2.015 53 HG3 ARG 5 2HG ARG 5 -9.793 21.186 0.983 54 HD2 ARG 5 1HD ARG 5 -10.872 22.056 2.728 55 HD3 ARG 5 2HD ARG 5 -10.789 20.468 3.506 56 HH11 ARG 5 1HH1 ARG 5 -11.659 22.635 4.473 57 HH12 ARG 5 2HH1 ARG 5 -11.310 23.587 5.879 58 HH21 ARG 5 1HH2 ARG 5 -7.901 22.811 5.912 59 HH22 ARG 5 2HH2 ARG 5 -9.172 23.686 6.696 60 H GLU 6 H GLU 6 -11.230 17.759 -0.253 61 HA GLU 6 HA GLU 6 -11.221 15.149 0.669 62 HE2 GLU 6 HE2 GLU 6 -15.882 15.739 -2.581 63 HB2 GLU 6 1HB GLU 6 -13.125 14.786 -0.618 64 HB3 GLU 6 2HB GLU 6 -13.132 16.540 -0.379 65 HG2 GLU 6 1HG GLU 6 -12.106 16.833 -2.602 66 HG3 GLU 6 2HG GLU 6 -12.199 15.082 -2.840 67 H GLU 7 H GLU 7 -9.776 16.502 -2.206 68 HA GLU 7 HA GLU 7 -9.383 14.237 -3.748 69 HE2 GLU 7 HE2 GLU 7 -9.887 14.425 -6.913 70 HB2 GLU 7 1HB GLU 7 -7.517 16.591 -3.371 71 HB3 GLU 7 2HB GLU 7 -7.422 15.415 -4.691 72 HG2 GLU 7 1HG GLU 7 -9.934 16.981 -4.220 73 HG3 GLU 7 2HG GLU 7 -8.574 17.681 -5.109 74 H ALA 8 H ALA 8 -7.582 15.381 -0.952 75 HA ALA 8 HA ALA 8 -5.415 13.578 -1.157 76 HB1 ALA 8 3HB ALA 8 -6.472 15.424 0.876 77 HB2 ALA 8 1HB ALA 8 -5.524 14.071 1.495 78 HB3 ALA 8 2HB ALA 8 -4.818 15.175 0.314 79 H ALA 9 H ALA 9 -8.656 13.254 0.042 80 HA ALA 9 HA ALA 9 -8.194 10.910 1.614 81 HB1 ALA 9 3HB ALA 9 -10.203 11.471 2.364 82 HB2 ALA 9 1HB ALA 9 -10.380 12.662 1.074 83 HB3 ALA 9 2HB ALA 9 -10.898 10.996 0.814 84 H LYS 10 H LYS 10 -8.912 11.552 -1.733 85 HA LYS 10 HA LYS 10 -9.719 8.877 -2.375 86 HB2 LYS 10 1HB LYS 10 -8.689 10.946 -4.317 87 HB3 LYS 10 2HB LYS 10 -9.802 9.606 -4.635 88 HG2 LYS 10 1HG LYS 10 -11.076 11.097 -2.663 89 HG3 LYS 10 2HG LYS 10 -10.363 12.298 -3.753 90 HD2 LYS 10 1HD LYS 10 -11.871 9.957 -4.874 91 HD3 LYS 10 2HD LYS 10 -12.739 11.372 -4.254 92 HE2 LYS 10 1HE LYS 10 -12.163 12.660 -6.009 93 HE3 LYS 10 2HE LYS 10 -10.505 12.040 -6.021 94 HZ1 LYS 10 3HZ LYS 10 -11.334 10.027 -7.124 95 HZ2 LYS 10 1HZ LYS 10 -11.623 11.419 -8.040 96 HZ3 LYS 10 2HZ LYS 10 -12.886 10.696 -7.179 97 H LEU 11 H LEU 11 -6.711 10.666 -2.362 98 HA LEU 11 HA LEU 11 -5.104 9.096 -3.960 99 HG LEU 11 HG LEU 11 -5.231 12.131 -2.661 100 HB2 LEU 11 1HB LEU 11 -4.316 10.356 -1.326 101 HB3 LEU 11 2HB LEU 11 -3.225 9.882 -2.640 102 HD11 LEU 11 1HD1 LEU 11 -2.247 11.950 -2.540 103 HD12 LEU 11 2HD1 LEU 11 -3.351 12.904 -1.549 104 HD13 LEU 11 3HD1 LEU 11 -3.039 13.372 -3.221 105 HD21 LEU 11 3HD2 LEU 11 -5.291 11.142 -4.834 106 HD22 LEU 11 1HD2 LEU 11 -3.533 11.012 -4.883 107 HD23 LEU 11 2HD2 LEU 11 -4.301 12.599 -4.932 108 H PHE 12 H PHE 12 -5.788 8.672 -0.495 109 HA PHE 12 HA PHE 12 -4.286 6.248 -0.305 110 HD1 PHE 12 HD1 PHE 12 -2.744 6.639 0.922 111 HD2 PHE 12 HD2 PHE 12 -5.488 9.135 3.010 112 HE1 PHE 12 HE1 PHE 12 -0.866 7.973 1.789 113 HE2 PHE 12 HE2 PHE 12 -3.616 10.473 3.879 114 HZ PHE 12 HZ PHE 12 -1.302 9.893 3.269 115 HB2 PHE 12 1HB PHE 12 -6.314 7.532 1.539 116 HB3 PHE 12 2HB PHE 12 -5.426 6.059 1.937 117 H GLU 13 H GLU 13 -7.486 7.056 -1.267 118 HA GLU 13 HA GLU 13 -8.858 4.697 -0.656 119 HE2 GLU 13 HE2 GLU 13 -12.483 7.508 -3.911 120 HB2 GLU 13 1HB GLU 13 -9.649 6.999 -1.676 121 HB3 GLU 13 2HB GLU 13 -9.425 6.142 -3.208 122 HG2 GLU 13 1HG GLU 13 -10.931 4.343 -2.345 123 HG3 GLU 13 2HG GLU 13 -11.257 5.380 -0.949 124 H GLU 14 H GLU 14 -6.765 5.526 -3.364 125 HA GLU 14 HA GLU 14 -7.312 3.133 -4.836 126 HE2 GLU 14 HE2 GLU 14 -5.003 6.589 -8.633 127 HB2 GLU 14 1HB GLU 14 -4.873 4.885 -5.132 128 HB3 GLU 14 2HB GLU 14 -5.640 3.862 -6.356 129 HG2 GLU 14 1HG GLU 14 -7.703 5.436 -5.933 130 HG3 GLU 14 2HG GLU 14 -6.449 6.540 -5.350 131 H TRP 15 H TRP 15 -4.930 4.136 -2.470 132 HA TRP 15 HA TRP 15 -3.008 2.165 -2.784 133 HD1 TRP 15 HD1 TRP 15 -2.991 4.792 -3.270 134 HE1 TRP 15 HE1 TRP 15 -1.047 6.479 -3.230 135 HE3 TRP 15 HE3 TRP 15 -1.051 3.687 1.329 136 HZ2 TRP 15 HZ2 TRP 15 1.033 7.241 -1.481 137 HZ3 TRP 15 HZ3 TRP 15 0.917 4.940 2.111 138 HH2 TRP 15 HH2 TRP 15 1.936 6.680 0.734 139 HB2 TRP 15 1HB TRP 15 -4.012 3.597 -0.319 140 HB3 TRP 15 2HB TRP 15 -2.660 2.466 -0.266 141 H LYS 16 H LYS 16 -5.895 2.079 -0.698 142 HA LYS 16 HA LYS 16 -5.479 -0.626 0.103 143 HB2 LYS 16 1HB LYS 16 -6.715 0.817 1.560 144 HB3 LYS 16 2HB LYS 16 -7.874 1.203 0.279 145 HG2 LYS 16 1HG LYS 16 -7.693 -1.659 0.839 146 HG3 LYS 16 2HG LYS 16 -8.218 -0.689 2.227 147 HD2 LYS 16 1HD LYS 16 -9.773 0.447 0.404 148 HD3 LYS 16 2HD LYS 16 -9.546 -1.116 -0.401 149 HE2 LYS 16 1HE LYS 16 -10.145 -1.384 2.449 150 HE3 LYS 16 2HE LYS 16 -11.416 -0.551 1.543 151 HZ1 LYS 16 3HZ LYS 16 -10.268 -3.086 0.557 152 HZ2 LYS 16 1HZ LYS 16 -11.758 -2.379 0.178 153 HZ3 LYS 16 2HZ LYS 16 -11.517 -3.081 1.697 154 H LYS 17 H LYS 17 -7.179 0.931 -2.514 155 HA LYS 17 HA LYS 17 -8.824 -1.227 -3.283 156 HB2 LYS 17 1HB LYS 17 -8.260 1.397 -4.199 157 HB3 LYS 17 2HB LYS 17 -8.018 0.303 -5.570 158 HG2 LYS 17 1HG LYS 17 -10.225 -0.380 -5.605 159 HG3 LYS 17 2HG LYS 17 -10.491 0.073 -3.912 160 HD2 LYS 17 1HD LYS 17 -10.074 2.496 -4.707 161 HD3 LYS 17 2HD LYS 17 -10.348 1.844 -6.332 162 HE2 LYS 17 1HE LYS 17 -12.281 1.607 -4.012 163 HE3 LYS 17 2HE LYS 17 -12.396 2.787 -5.326 164 HZ1 LYS 17 3HZ LYS 17 -12.298 -0.110 -5.895 165 HZ2 LYS 17 1HZ LYS 17 -12.878 1.143 -6.874 166 HZ3 LYS 17 2HZ LYS 17 -13.757 0.657 -5.513 167 H LEU 18 H LEU 18 -5.653 -0.162 -4.507 168 HA LEU 18 HA LEU 18 -5.282 -2.155 -6.409 169 HG LEU 18 HG LEU 18 -4.784 0.504 -6.508 170 HB2 LEU 18 1HB LEU 18 -3.215 -0.771 -4.691 171 HB3 LEU 18 2HB LEU 18 -2.870 -1.705 -6.157 172 HD11 LEU 18 1HD1 LEU 18 -2.309 0.957 -5.123 173 HD12 LEU 18 2HD1 LEU 18 -3.582 2.100 -5.547 174 HD13 LEU 18 3HD1 LEU 18 -2.290 1.754 -6.695 175 HD21 LEU 18 3HD2 LEU 18 -3.101 0.865 -8.441 176 HD22 LEU 18 1HD2 LEU 18 -4.156 -0.549 -8.476 177 HD23 LEU 18 2HD2 LEU 18 -2.474 -0.715 -7.971 178 H ALA 19 H ALA 19 -5.089 -2.302 -2.961 179 HA ALA 19 HA ALA 19 -3.509 -4.677 -2.794 180 HB1 ALA 19 3HB ALA 19 -3.684 -3.069 -0.942 181 HB2 ALA 19 1HB ALA 19 -5.384 -3.497 -0.748 182 HB3 ALA 19 2HB ALA 19 -4.131 -4.704 -0.452 183 H GLU 20 H GLU 20 -6.905 -3.986 -3.178 184 HA GLU 20 HA GLU 20 -7.838 -6.588 -2.461 185 HE2 GLU 20 HE2 GLU 20 -12.722 -4.640 -1.177 186 HB2 GLU 20 1HB GLU 20 -9.103 -4.313 -4.000 187 HB3 GLU 20 2HB GLU 20 -9.949 -5.823 -3.624 188 HG2 GLU 20 1HG GLU 20 -9.368 -5.331 -1.177 189 HG3 GLU 20 2HG GLU 20 -8.996 -3.697 -1.743 190 H GLU 21 H GLU 21 -7.336 -4.936 -5.575 191 HA GLU 21 HA GLU 21 -8.113 -7.018 -7.250 192 HE2 GLU 21 HE2 GLU 21 -6.410 -2.015 -9.556 193 HB2 GLU 21 1HB GLU 21 -6.614 -5.937 -8.950 194 HB3 GLU 21 2HB GLU 21 -7.770 -4.843 -8.175 195 HG2 GLU 21 1HG GLU 21 -5.951 -4.123 -6.622 196 HG3 GLU 21 2HG GLU 21 -4.830 -5.086 -7.594 197 H ALA 22 H ALA 22 -4.905 -6.269 -5.929 198 HA ALA 22 HA ALA 22 -3.533 -8.375 -7.205 199 HB1 ALA 22 3HB ALA 22 -2.195 -6.650 -6.361 200 HB2 ALA 22 1HB ALA 22 -2.946 -6.729 -4.766 201 HB3 ALA 22 2HB ALA 22 -1.868 -8.019 -5.298 202 H ALA 23 H ALA 23 -5.379 -8.205 -4.232 203 HA ALA 23 HA ALA 23 -4.507 -10.697 -3.167 204 HB1 ALA 23 3HB ALA 23 -6.303 -8.590 -2.402 205 HB2 ALA 23 1HB ALA 23 -7.061 -10.162 -2.151 206 HB3 ALA 23 2HB ALA 23 -5.507 -9.802 -1.398 207 H LYS 24 H LYS 24 -7.450 -9.704 -4.907 208 HA LYS 24 HA LYS 24 -8.624 -12.267 -4.982 209 HB2 LYS 24 1HB LYS 24 -10.074 -11.347 -6.742 210 HB3 LYS 24 2HB LYS 24 -9.928 -10.244 -5.365 211 HG2 LYS 24 1HG LYS 24 -8.315 -8.885 -6.589 212 HG3 LYS 24 2HG LYS 24 -8.424 -9.998 -7.964 213 HD2 LYS 24 1HD LYS 24 -9.818 -8.115 -8.449 214 HD3 LYS 24 2HD LYS 24 -10.871 -9.493 -8.086 215 HE2 LYS 24 1HE LYS 24 -11.713 -8.539 -6.219 216 HE3 LYS 24 2HE LYS 24 -10.145 -7.861 -5.756 217 HZ1 LYS 24 3HZ LYS 24 -12.279 -6.500 -6.839 218 HZ2 LYS 24 1HZ LYS 24 -11.139 -6.583 -8.086 219 HZ3 LYS 24 2HZ LYS 24 -10.715 -5.905 -6.595 220 H LEU 25 H LEU 25 -6.391 -10.606 -7.134 221 HA LEU 25 HA LEU 25 -6.515 -12.608 -9.183 222 HG LEU 25 HG LEU 25 -6.901 -9.978 -10.149 223 HB2 LEU 25 1HB LEU 25 -4.967 -10.127 -8.672 224 HB3 LEU 25 2HB LEU 25 -4.234 -11.330 -9.745 225 HD11 LEU 25 1HD1 LEU 25 -5.893 -8.725 -11.848 226 HD12 LEU 25 2HD1 LEU 25 -4.453 -9.743 -11.868 227 HD13 LEU 25 3HD1 LEU 25 -4.747 -8.658 -10.509 228 HD21 LEU 25 3HD2 LEU 25 -5.865 -11.339 -12.446 229 HD22 LEU 25 1HD2 LEU 25 -7.413 -11.550 -11.628 230 HD23 LEU 25 2HD2 LEU 25 -6.003 -12.466 -11.096 231 H LEU 26 H LEU 26 -4.371 -11.874 -6.482 232 HA LEU 26 HA LEU 26 -2.241 -13.532 -7.007 233 HG LEU 26 HG LEU 26 -1.410 -11.527 -5.821 234 HB2 LEU 26 1HB LEU 26 -3.514 -12.431 -4.588 235 HB3 LEU 26 2HB LEU 26 -2.520 -13.875 -4.328 236 HD11 LEU 26 1HD1 LEU 26 -0.746 -11.625 -2.985 237 HD12 LEU 26 2HD1 LEU 26 -2.435 -11.227 -3.297 238 HD13 LEU 26 3HD1 LEU 26 -1.154 -10.249 -4.010 239 HD21 LEU 26 3HD2 LEU 26 -0.386 -13.957 -4.451 240 HD22 LEU 26 1HD2 LEU 26 0.619 -12.508 -4.437 241 HD23 LEU 26 2HD2 LEU 26 0.115 -13.217 -5.972 242 H GLU 27 H GLU 27 -5.315 -14.386 -5.448 243 HA GLU 27 HA GLU 27 -4.560 -17.193 -5.370 244 HE2 GLU 27 HE2 GLU 27 -3.986 -18.998 -2.667 245 HB2 GLU 27 1HB GLU 27 -5.800 -16.066 -3.495 246 HB3 GLU 27 2HB GLU 27 -7.193 -15.943 -4.580 247 HG2 GLU 27 1HG GLU 27 -7.413 -17.842 -3.074 248 HG3 GLU 27 2HG GLU 27 -7.302 -18.359 -4.761 249 H GLY 28 H GLY 28 -6.024 -15.072 -7.538 250 HA2 GLY 28 1HA GLY 28 -7.016 -15.417 -9.581 251 HA3 GLY 28 2HA GLY 28 -6.551 -17.105 -9.435 252 H GLY 29 H GLY 29 -8.480 -15.757 -6.914 253 HA2 GLY 29 1HA GLY 29 -10.917 -16.892 -8.118 254 HA3 GLY 29 2HA GLY 29 -10.420 -17.392 -6.507 255 H GLY 30 H GLY 30 -9.743 -15.188 -5.207 256 HA2 GLY 30 1HA GLY 30 -10.664 -12.799 -5.167 257 HA3 GLY 30 2HA GLY 30 -12.225 -13.600 -5.270 258 H GLY 31 H GLY 31 -9.616 -12.676 -3.222 259 HA2 GLY 31 1HA GLY 31 -10.478 -12.295 -0.873 260 HA3 GLY 31 2HA GLY 31 -10.945 -13.989 -0.935 261 H GLY 32 H GLY 32 -8.437 -14.576 -2.509 262 HA2 GLY 32 1HA GLY 32 -6.098 -14.672 -2.080 263 HA3 GLY 32 2HA GLY 32 -6.409 -14.159 -0.428 264 H GLY 33 H GLY 33 -4.765 -16.114 -0.407 265 HA2 GLY 33 1HA GLY 33 -5.846 -18.731 -0.670 266 HA3 GLY 33 2HA GLY 33 -4.358 -18.305 0.161 267 H GLY 34 H GLY 34 -5.955 -16.370 1.862 268 HA2 GLY 34 1HA GLY 34 -7.157 -16.384 3.829 269 HA3 GLY 34 2HA GLY 34 -7.797 -17.954 3.368 270 H GLY 35 H GLY 35 -4.963 -16.343 4.753 271 HA2 GLY 35 1HA GLY 35 -4.703 -18.176 6.866 272 HA3 GLY 35 2HA GLY 35 -3.601 -18.655 5.584 273 H GLU 36 H GLU 36 -1.847 -18.246 7.022 274 HA GLU 36 HA GLU 36 -1.385 -15.718 8.206 275 HE2 GLU 36 HE2 GLU 36 1.396 -18.160 11.819 276 HB2 GLU 36 1HB GLU 36 0.766 -17.688 7.429 277 HB3 GLU 36 2HB GLU 36 0.770 -16.532 8.770 278 HG2 GLU 36 1HG GLU 36 -1.300 -17.907 9.588 279 HG3 GLU 36 2HG GLU 36 -0.612 -19.158 8.544 280 H LEU 37 H LEU 37 0.028 -17.241 5.309 281 HA LEU 37 HA LEU 37 1.645 -15.162 4.478 282 HG LEU 37 HG LEU 37 1.402 -14.974 1.742 283 HB2 LEU 37 1HB LEU 37 1.872 -17.201 3.350 284 HB3 LEU 37 2HB LEU 37 0.141 -17.275 2.975 285 HD11 LEU 37 1HD1 LEU 37 3.005 -15.914 0.414 286 HD12 LEU 37 2HD1 LEU 37 2.327 -17.536 0.547 287 HD13 LEU 37 3HD1 LEU 37 3.243 -16.849 1.890 288 HD21 LEU 37 3HD2 LEU 37 -0.778 -15.804 1.106 289 HD22 LEU 37 1HD2 LEU 37 -0.089 -17.373 0.686 290 HD23 LEU 37 2HD2 LEU 37 0.333 -15.943 -0.257 291 H MET 38 H MET 38 -1.711 -15.792 3.443 292 HA MET 38 HA MET 38 -2.014 -13.492 1.884 293 HB2 MET 38 1HB MET 38 -3.561 -15.383 1.783 294 HB3 MET 38 2HB MET 38 -4.114 -15.027 3.427 295 HG2 MET 38 1HG MET 38 -4.453 -12.628 2.050 296 HG3 MET 38 2HG MET 38 -4.952 -13.883 0.914 297 HE1 MET 38 3HE MET 38 -5.497 -14.345 4.963 298 HE2 MET 38 1HE MET 38 -5.125 -12.685 4.496 299 HE3 MET 38 2HE MET 38 -6.743 -13.101 5.059 300 H LYS 39 H LYS 39 -2.279 -13.989 5.332 301 HA LYS 39 HA LYS 39 -3.704 -11.743 6.105 302 HB2 LYS 39 1HB LYS 39 -2.399 -13.764 7.405 303 HB3 LYS 39 2HB LYS 39 -1.389 -12.367 7.812 304 HG2 LYS 39 1HG LYS 39 -2.848 -11.671 9.326 305 HG3 LYS 39 2HG LYS 39 -4.152 -11.681 8.125 306 HD2 LYS 39 1HD LYS 39 -4.773 -13.881 8.615 307 HD3 LYS 39 2HD LYS 39 -3.221 -14.233 9.394 308 HE2 LYS 39 1HE LYS 39 -4.109 -12.206 10.968 309 HE3 LYS 39 2HE LYS 39 -5.639 -12.954 10.486 310 HZ1 LYS 39 3HZ LYS 39 -4.201 -15.108 11.130 311 HZ2 LYS 39 1HZ LYS 39 -5.209 -14.292 12.217 312 HZ3 LYS 39 2HZ LYS 39 -3.547 -13.979 12.207 313 H LEU 40 H LEU 40 -0.416 -12.016 4.981 314 HA LEU 40 HA LEU 40 0.459 -9.457 5.869 315 HG LEU 40 HG LEU 40 1.977 -11.893 6.242 316 HB2 LEU 40 1HB LEU 40 1.471 -11.440 3.850 317 HB3 LEU 40 2HB LEU 40 2.226 -9.848 4.038 318 HD11 LEU 40 1HD1 LEU 40 4.494 -11.146 4.790 319 HD12 LEU 40 2HD1 LEU 40 3.471 -12.479 4.254 320 HD13 LEU 40 3HD1 LEU 40 4.197 -12.517 5.860 321 HD21 LEU 40 3HD2 LEU 40 2.724 -10.326 7.627 322 HD22 LEU 40 1HD2 LEU 40 2.441 -9.146 6.349 323 HD23 LEU 40 2HD2 LEU 40 4.030 -9.890 6.525 324 H CYS 41 H CYS 41 -1.114 -10.656 2.976 325 HA CYS 41 HA CYS 41 -0.752 -8.257 1.459 326 HG CYS 41 HG CYS 41 -0.570 -11.946 1.192 327 HB2 CYS 41 1HB CYS 41 -2.834 -10.401 1.031 328 HB3 CYS 41 2HB CYS 41 -2.194 -9.269 -0.173 329 H GLU 42 H GLU 42 -3.168 -9.478 3.668 330 HA GLU 42 HA GLU 42 -5.199 -7.597 3.002 331 HE2 GLU 42 HE2 GLU 42 -7.414 -9.706 8.041 332 HB2 GLU 42 1HB GLU 42 -5.675 -9.738 4.125 333 HB3 GLU 42 2HB GLU 42 -4.800 -9.167 5.554 334 HG2 GLU 42 1HG GLU 42 -6.438 -7.283 5.718 335 HG3 GLU 42 2HG GLU 42 -7.362 -8.069 4.430 336 H GLU 43 H GLU 43 -2.391 -7.523 5.029 337 HA GLU 43 HA GLU 43 -3.041 -5.526 6.843 338 HE2 GLU 43 HE2 GLU 43 0.722 -6.942 10.187 339 HB2 GLU 43 1HB GLU 43 -0.404 -6.145 5.496 340 HB3 GLU 43 2HB GLU 43 -0.579 -5.019 6.851 341 HG2 GLU 43 1HG GLU 43 -1.827 -7.546 7.466 342 HG3 GLU 43 2HG GLU 43 -0.140 -7.768 6.978 343 H ALA 44 H ALA 44 -2.224 -5.303 3.457 344 HA ALA 44 HA ALA 44 -1.519 -2.648 3.195 345 HB1 ALA 44 3HB ALA 44 -2.991 -3.020 0.949 346 HB2 ALA 44 1HB ALA 44 -1.335 -3.590 1.166 347 HB3 ALA 44 2HB ALA 44 -2.690 -4.688 1.439 348 H ALA 45 H ALA 45 -4.764 -4.056 3.379 349 HA ALA 45 HA ALA 45 -6.104 -1.550 3.030 350 HB1 ALA 45 3HB ALA 45 -7.877 -3.318 4.267 351 HB2 ALA 45 1HB ALA 45 -7.736 -2.975 2.543 352 HB3 ALA 45 2HB ALA 45 -6.843 -4.322 3.251 353 H LYS 46 H LYS 46 -4.733 -3.245 5.700 354 HA LYS 46 HA LYS 46 -6.275 -2.006 7.758 355 HB2 LYS 46 1HB LYS 46 -4.323 -4.037 7.584 356 HB3 LYS 46 2HB LYS 46 -3.662 -2.801 8.664 357 HG2 LYS 46 1HG LYS 46 -6.378 -4.080 8.979 358 HG3 LYS 46 2HG LYS 46 -4.913 -4.563 9.852 359 HD2 LYS 46 1HD LYS 46 -5.183 -2.935 11.352 360 HD3 LYS 46 2HD LYS 46 -5.304 -1.720 10.066 361 HE2 LYS 46 1HE LYS 46 -7.562 -1.662 10.140 362 HE3 LYS 46 2HE LYS 46 -7.685 -3.410 10.383 363 HZ1 LYS 46 3HZ LYS 46 -8.175 -2.965 12.485 364 HZ2 LYS 46 1HZ LYS 46 -7.797 -1.326 12.309 365 HZ3 LYS 46 2HZ LYS 46 -6.583 -2.435 12.706 366 H LYS 47 H LYS 47 -3.028 -1.429 6.434 367 HA LYS 47 HA LYS 47 -2.549 0.856 8.084 368 HB2 LYS 47 1HB LYS 47 -1.068 -0.764 6.258 369 HB3 LYS 47 2HB LYS 47 -0.906 0.927 5.758 370 HG2 LYS 47 1HG LYS 47 -0.464 0.091 8.611 371 HG3 LYS 47 2HG LYS 47 0.819 -0.014 7.392 372 HD2 LYS 47 1HD LYS 47 1.259 2.091 8.133 373 HD3 LYS 47 2HD LYS 47 0.026 2.491 6.923 374 HE2 LYS 47 1HE LYS 47 -1.357 3.291 8.482 375 HE3 LYS 47 2HE LYS 47 -1.215 1.801 9.427 376 HZ1 LYS 47 3HZ LYS 47 0.570 2.633 10.629 377 HZ2 LYS 47 1HZ LYS 47 -0.448 3.977 10.488 378 HZ3 LYS 47 2HZ LYS 47 0.917 3.842 9.498 379 H ALA 48 H ALA 48 -3.366 0.418 4.650 380 HA ALA 48 HA ALA 48 -3.382 3.056 3.838 381 HB1 ALA 48 3HB ALA 48 -3.640 1.426 2.171 382 HB2 ALA 48 1HB ALA 48 -5.038 0.705 2.971 383 HB3 ALA 48 2HB ALA 48 -5.180 2.285 2.201 384 H GLU 49 H GLU 49 -6.080 1.199 5.236 385 HA GLU 49 HA GLU 49 -8.029 3.171 5.150 386 HE2 GLU 49 HE2 GLU 49 -12.084 3.565 5.990 387 HB2 GLU 49 1HB GLU 49 -8.491 0.837 5.737 388 HB3 GLU 49 2HB GLU 49 -7.626 1.050 7.268 389 HG2 GLU 49 1HG GLU 49 -9.991 1.144 7.676 390 HG3 GLU 49 2HG GLU 49 -9.281 2.741 7.944 391 H GLU 50 H GLU 50 -5.378 2.729 7.392 392 HA GLU 50 HA GLU 50 -6.294 4.575 9.352 393 HE2 GLU 50 HE2 GLU 50 -3.379 5.227 13.405 394 HB2 GLU 50 1HB GLU 50 -4.070 2.824 8.992 395 HB3 GLU 50 2HB GLU 50 -3.448 4.437 9.371 396 HG2 GLU 50 1HG GLU 50 -5.610 3.927 11.133 397 HG3 GLU 50 2HG GLU 50 -4.561 2.501 11.125 398 H LEU 51 H LEU 51 -4.610 4.883 6.339 399 HA LEU 51 HA LEU 51 -3.508 7.469 6.804 400 HG LEU 51 HG LEU 51 -3.062 4.517 5.198 401 HB2 LEU 51 1HB LEU 51 -4.205 6.376 4.092 402 HB3 LEU 51 2HB LEU 51 -2.880 7.460 4.550 403 HD11 LEU 51 1HD1 LEU 51 -1.104 5.890 3.380 404 HD12 LEU 51 2HD1 LEU 51 -2.618 5.200 2.796 405 HD13 LEU 51 3HD1 LEU 51 -1.413 4.163 3.559 406 HD21 LEU 51 3HD2 LEU 51 -0.458 5.612 5.520 407 HD22 LEU 51 1HD2 LEU 51 -1.494 4.857 6.730 408 HD23 LEU 51 2HD2 LEU 51 -1.592 6.595 6.447 409 H PHE 52 H PHE 52 -6.415 6.310 5.124 410 HA PHE 52 HA PHE 52 -7.364 8.765 4.218 411 HD1 PHE 52 HD2 PHE 52 -10.766 7.324 6.118 412 HD2 PHE 52 HD1 PHE 52 -9.586 8.379 2.166 413 HE1 PHE 52 HE2 PHE 52 -12.937 8.426 5.768 414 HE2 PHE 52 HE1 PHE 52 -11.756 9.483 1.809 415 HZ PHE 52 HZ PHE 52 -13.435 9.507 3.611 416 HB2 PHE 52 1HB PHE 52 -8.348 6.719 3.426 417 HB3 PHE 52 2HB PHE 52 -8.857 6.276 5.057 418 H LYS 53 H LYS 53 -7.298 7.435 7.399 419 HA LYS 53 HA LYS 53 -9.391 8.704 8.671 420 HB2 LYS 53 1HB LYS 53 -7.246 7.184 9.462 421 HB3 LYS 53 2HB LYS 53 -6.889 8.751 10.205 422 HG2 LYS 53 1HG LYS 53 -8.105 7.806 11.881 423 HG3 LYS 53 2HG LYS 53 -9.405 8.588 10.965 424 HD2 LYS 53 1HD LYS 53 -10.375 6.633 10.503 425 HD3 LYS 53 2HD LYS 53 -8.846 5.955 9.917 426 HE2 LYS 53 1HE LYS 53 -9.252 4.558 11.698 427 HE3 LYS 53 2HE LYS 53 -8.286 5.819 12.481 428 HZ1 LYS 53 3HZ LYS 53 -10.905 5.014 13.077 429 HZ2 LYS 53 1HZ LYS 53 -10.958 6.624 12.560 430 HZ3 LYS 53 2HZ LYS 53 -9.963 6.184 13.855 431 H LEU 54 H LEU 54 -6.084 9.954 8.224 432 HA LEU 54 HA LEU 54 -6.515 12.457 9.404 433 HG LEU 54 HG LEU 54 -2.865 12.135 9.105 434 HB2 LEU 54 1HB LEU 54 -4.517 11.296 7.531 435 HB3 LEU 54 2HB LEU 54 -4.597 13.062 7.659 436 HD11 LEU 54 1HD1 LEU 54 -4.264 12.937 11.340 437 HD12 LEU 54 2HD1 LEU 54 -5.102 13.747 10.018 438 HD13 LEU 54 3HD1 LEU 54 -3.368 13.984 10.239 439 HD21 LEU 54 3HD2 LEU 54 -4.913 10.893 10.873 440 HD22 LEU 54 1HD2 LEU 54 -3.198 10.523 10.697 441 HD23 LEU 54 2HD2 LEU 54 -4.345 9.992 9.467 442 H ALA 55 H ALA 55 -7.032 11.312 6.118 443 HA ALA 55 HA ALA 55 -7.430 13.735 4.814 444 HB1 ALA 55 3HB ALA 55 -8.316 12.519 3.070 445 HB2 ALA 55 1HB ALA 55 -7.382 11.287 3.919 446 HB3 ALA 55 2HB ALA 55 -9.130 11.376 4.138 447 H GLU 56 H GLU 56 -9.482 12.019 7.035 448 HA GLU 56 HA GLU 56 -11.877 13.454 6.371 449 HE2 GLU 56 HE2 GLU 56 -15.082 10.706 10.610 450 HB2 GLU 56 1HB GLU 56 -12.211 11.303 7.288 451 HB3 GLU 56 2HB GLU 56 -11.105 11.625 8.633 452 HG2 GLU 56 1HG GLU 56 -12.688 13.259 9.552 453 HG3 GLU 56 2HG GLU 56 -13.800 12.900 8.223 454 H GLU 57 H GLU 57 -9.156 13.973 8.434 455 HA GLU 57 HA GLU 57 -10.362 15.785 10.255 456 HE2 GLU 57 HE2 GLU 57 -10.057 17.607 13.328 457 HB2 GLU 57 1HB GLU 57 -8.261 14.646 10.763 458 HB3 GLU 57 2HB GLU 57 -7.469 15.496 9.428 459 HG2 GLU 57 1HG GLU 57 -6.824 16.607 11.410 460 HG3 GLU 57 2HG GLU 57 -8.002 17.646 10.596 461 H ARG 58 H ARG 58 -8.415 16.268 7.318 462 HA ARG 58 HA ARG 58 -8.740 19.122 7.395 463 HE ARG 58 HE ARG 58 -6.649 16.699 7.591 464 HB2 ARG 58 1HB ARG 58 -7.731 18.943 5.047 465 HB3 ARG 58 2HB ARG 58 -6.730 18.417 6.409 466 HG2 ARG 58 1HG ARG 58 -8.260 16.194 5.437 467 HG3 ARG 58 2HG ARG 58 -7.394 16.969 4.100 468 HD2 ARG 58 1HD ARG 58 -6.159 15.120 5.357 469 HD3 ARG 58 2HD ARG 58 -5.302 16.649 5.113 470 HH11 ARG 58 1HH1 ARG 58 -3.913 15.234 6.011 471 HH12 ARG 58 2HH1 ARG 58 -3.007 15.039 7.475 472 HH21 ARG 58 1HH2 ARG 58 -5.465 16.447 9.525 473 HH22 ARG 58 2HH2 ARG 58 -3.891 15.728 9.473 474 H LEU 59 H LEU 59 -10.342 16.428 5.868 475 HA LEU 59 HA LEU 59 -11.800 17.977 3.961 476 HG LEU 59 HG LEU 59 -14.306 15.906 3.767 477 HB2 LEU 59 1HB LEU 59 -11.308 15.558 3.705 478 HB3 LEU 59 2HB LEU 59 -12.417 15.234 5.049 479 HD11 LEU 59 1HD1 LEU 59 -12.316 16.842 1.708 480 HD12 LEU 59 2HD1 LEU 59 -13.437 17.834 2.641 481 HD13 LEU 59 3HD1 LEU 59 -14.053 16.711 1.430 482 HD21 LEU 59 3HD2 LEU 59 -12.866 14.448 1.636 483 HD22 LEU 59 1HD2 LEU 59 -14.413 14.099 2.410 484 HD23 LEU 59 2HD2 LEU 59 -12.905 13.691 3.230 485 H LYS 60 H LYS 60 -12.918 16.188 6.841 486 HA LYS 60 HA LYS 60 -14.967 18.273 7.214 487 HB2 LYS 60 1HB LYS 60 -16.217 16.256 8.372 488 HB3 LYS 60 2HB LYS 60 -16.316 16.510 6.622 489 HG2 LYS 60 1HG LYS 60 -14.072 14.821 7.516 490 HG3 LYS 60 2HG LYS 60 -15.694 14.156 7.782 491 HD2 LYS 60 1HD LYS 60 -15.589 15.316 5.166 492 HD3 LYS 60 2HD LYS 60 -14.209 14.225 5.377 493 HE2 LYS 60 1HE LYS 60 -15.559 12.361 5.754 494 HE3 LYS 60 2HE LYS 60 -16.954 13.355 6.196 495 HZ1 LYS 60 3HZ LYS 60 -16.095 13.861 3.521 496 HZ2 LYS 60 1HZ LYS 60 -17.627 13.431 4.095 497 HZ3 LYS 60 2HZ LYS 60 -16.486 12.231 3.752 498 H LYS 61 H LYS 61 -15.975 17.734 9.599 499 HA LYS 61 HA LYS 61 -13.782 18.328 11.386 500 HB2 LYS 61 1HB LYS 61 -16.095 19.457 11.348 501 HB3 LYS 61 2HB LYS 61 -16.662 18.008 12.194 502 HG2 LYS 61 1HG LYS 61 -15.419 18.464 14.104 503 HG3 LYS 61 2HG LYS 61 -14.328 19.560 13.237 504 HD2 LYS 61 1HD LYS 61 -15.688 21.337 13.496 505 HD3 LYS 61 2HD LYS 61 -17.145 20.376 13.190 506 HE2 LYS 61 1HE LYS 61 -17.544 20.056 15.377 507 HE3 LYS 61 2HE LYS 61 -15.840 19.711 15.712 508 HZ1 LYS 61 3HZ LYS 61 -17.131 21.919 16.522 509 HZ2 LYS 61 1HZ LYS 61 -16.395 22.478 15.105 510 HZ3 LYS 61 2HZ LYS 61 -15.454 21.809 16.340 511 H LEU 62 H LEU 62 -12.765 16.211 11.221 512 HA LEU 62 HA LEU 62 -13.888 13.783 11.894 513 HG LEU 62 HG LEU 62 -12.262 12.010 11.647 514 HB2 LEU 62 1HB LEU 62 -11.509 14.368 11.085 515 HB3 LEU 62 2HB LEU 62 -11.137 14.550 12.808 516 HD11 LEU 62 1HD1 LEU 62 -9.368 12.391 12.286 517 HD12 LEU 62 2HD1 LEU 62 -9.996 12.825 10.696 518 HD13 LEU 62 3HD1 LEU 62 -10.143 11.167 11.280 519 HD21 LEU 62 3HD2 LEU 62 -12.546 11.765 13.885 520 HD22 LEU 62 1HD2 LEU 62 -11.267 12.912 14.287 521 HD23 LEU 62 2HD2 LEU 62 -10.855 11.272 13.786 522 HA MET 1 HA MET 1 11.757 -25.564 -9.497 523 H1 MET 1 1H MET 1 13.769 -25.404 -8.183 524 HB2 MET 1 1HB MET 1 11.110 -25.340 -6.548 525 HB3 MET 1 2HB MET 1 10.039 -26.050 -7.766 526 HG2 MET 1 1HG MET 1 12.736 -27.195 -7.758 527 HG3 MET 1 2HG MET 1 11.845 -27.422 -6.251 528 HE1 MET 1 3HE MET 1 12.804 -29.611 -7.266 529 HE2 MET 1 1HE MET 1 11.388 -30.624 -6.984 530 HE3 MET 1 2HE MET 1 12.085 -30.513 -8.600 531 H LYS 2 H LYS 2 12.355 -22.967 -9.928 532 HA LYS 2 HA LYS 2 10.016 -21.410 -9.087 533 HB2 LYS 2 1HB LYS 2 12.700 -20.668 -10.237 534 HB3 LYS 2 2HB LYS 2 11.352 -19.520 -10.228 535 HG2 LYS 2 1HG LYS 2 12.413 -18.936 -8.287 536 HG3 LYS 2 2HG LYS 2 11.243 -20.124 -7.685 537 HD2 LYS 2 1HD LYS 2 13.354 -20.626 -6.682 538 HD3 LYS 2 2HD LYS 2 13.023 -21.871 -7.898 539 HE2 LYS 2 1HE LYS 2 14.451 -19.601 -9.031 540 HE3 LYS 2 2HE LYS 2 15.326 -20.339 -7.681 541 HZ1 LYS 2 3HZ LYS 2 14.426 -22.457 -9.170 542 HZ2 LYS 2 1HZ LYS 2 16.008 -21.856 -9.129 543 HZ3 LYS 2 2HZ LYS 2 14.934 -21.327 -10.323 544 H LYS 3 H LYS 3 8.589 -20.514 -10.539 545 HA LYS 3 HA LYS 3 8.997 -20.855 -13.389 546 HB2 LYS 3 1HB LYS 3 6.804 -22.284 -11.875 547 HB3 LYS 3 2HB LYS 3 6.754 -22.008 -13.624 548 HG2 LYS 3 1HG LYS 3 8.976 -23.218 -13.759 549 HG3 LYS 3 2HG LYS 3 8.697 -23.695 -12.074 550 HD2 LYS 3 1HD LYS 3 6.319 -24.199 -13.598 551 HD3 LYS 3 2HD LYS 3 7.713 -24.927 -14.417 552 HE2 LYS 3 1HE LYS 3 7.238 -26.649 -13.006 553 HE3 LYS 3 2HE LYS 3 8.270 -25.698 -11.928 554 HZ1 LYS 3 3HZ LYS 3 5.944 -26.528 -11.143 555 HZ2 LYS 3 1HZ LYS 3 5.388 -25.151 -11.953 556 HZ3 LYS 3 2HZ LYS 3 6.500 -24.996 -10.689 557 H LEU 4 H LEU 4 6.444 -20.171 -10.990 558 HA LEU 4 HA LEU 4 5.977 -17.608 -12.346 559 HG LEU 4 HG LEU 4 2.972 -19.201 -13.796 560 HB2 LEU 4 1HB LEU 4 3.899 -19.624 -11.492 561 HB3 LEU 4 2HB LEU 4 3.526 -17.936 -11.882 562 HD11 LEU 4 1HD1 LEU 4 5.607 -18.401 -14.801 563 HD12 LEU 4 2HD1 LEU 4 4.748 -17.152 -13.901 564 HD13 LEU 4 3HD1 LEU 4 3.995 -17.900 -15.308 565 HD21 LEU 4 3HD2 LEU 4 5.522 -20.367 -14.471 566 HD22 LEU 4 1HD2 LEU 4 3.935 -21.127 -14.342 567 HD23 LEU 4 2HD2 LEU 4 4.949 -20.952 -12.909 568 H ARG 5 H ARG 5 7.147 -18.823 -9.708 569 HA ARG 5 HA ARG 5 5.561 -17.686 -7.627 570 HE ARG 5 HE ARG 5 6.645 -21.387 -5.278 571 HB2 ARG 5 1HB ARG 5 8.507 -18.336 -7.475 572 HB3 ARG 5 2HB ARG 5 7.329 -18.299 -6.154 573 HG2 ARG 5 1HG ARG 5 6.208 -20.261 -7.033 574 HG3 ARG 5 2HG ARG 5 7.307 -20.279 -8.422 575 HD2 ARG 5 1HD ARG 5 8.719 -21.551 -7.261 576 HD3 ARG 5 2HD ARG 5 8.935 -20.207 -6.131 577 HH11 ARG 5 1HH1 ARG 5 9.857 -22.547 -5.946 578 HH12 ARG 5 2HH1 ARG 5 9.786 -23.813 -4.765 579 HH21 ARG 5 1HH2 ARG 5 6.539 -23.049 -3.721 580 HH22 ARG 5 2HH2 ARG 5 7.898 -24.098 -3.501 581 H GLU 6 H GLU 6 8.570 -16.691 -9.241 582 HA GLU 6 HA GLU 6 9.105 -14.386 -7.812 583 HE2 GLU 6 HE2 GLU 6 12.438 -14.225 -12.446 584 HB2 GLU 6 1HB GLU 6 10.521 -13.737 -9.558 585 HB3 GLU 6 2HB GLU 6 10.469 -15.503 -9.680 586 HG2 GLU 6 1HG GLU 6 8.794 -15.328 -11.471 587 HG3 GLU 6 2HG GLU 6 8.902 -13.565 -11.368 588 H GLU 7 H GLU 7 6.669 -14.972 -10.229 589 HA GLU 7 HA GLU 7 6.057 -12.399 -11.053 590 HE2 GLU 7 HE2 GLU 7 5.483 -11.874 -14.160 591 HB2 GLU 7 1HB GLU 7 4.161 -14.704 -10.540 592 HB3 GLU 7 2HB GLU 7 3.775 -13.255 -11.479 593 HG2 GLU 7 1HG GLU 7 6.105 -14.985 -12.229 594 HG3 GLU 7 2HG GLU 7 4.457 -15.403 -12.721 595 H ALA 8 H ALA 8 5.278 -14.036 -8.060 596 HA ALA 8 HA ALA 8 3.346 -12.158 -7.146 597 HB1 ALA 8 3HB ALA 8 4.768 -14.480 -6.032 598 HB2 ALA 8 1HB ALA 8 4.262 -13.265 -4.858 599 HB3 ALA 8 2HB ALA 8 3.070 -14.023 -5.915 600 H ALA 9 H ALA 9 6.814 -12.275 -7.110 601 HA ALA 9 HA ALA 9 7.247 -10.412 -5.011 602 HB1 ALA 9 3HB ALA 9 9.313 -11.158 -5.305 603 HB2 ALA 9 1HB ALA 9 8.845 -11.941 -6.815 604 HB3 ALA 9 2HB ALA 9 9.401 -10.266 -6.825 605 H LYS 10 H LYS 10 6.599 -10.111 -8.430 606 HA LYS 10 HA LYS 10 7.345 -7.352 -8.616 607 HB2 LYS 10 1HB LYS 10 5.479 -8.819 -10.481 608 HB3 LYS 10 2HB LYS 10 6.522 -7.435 -10.842 609 HG2 LYS 10 1HG LYS 10 8.282 -9.398 -9.963 610 HG3 LYS 10 2HG LYS 10 7.102 -10.264 -10.961 611 HD2 LYS 10 1HD LYS 10 8.309 -7.695 -11.940 612 HD3 LYS 10 2HD LYS 10 9.201 -9.219 -12.083 613 HE2 LYS 10 1HE LYS 10 7.889 -9.982 -13.748 614 HE3 LYS 10 2HE LYS 10 6.416 -9.392 -12.964 615 HZ1 LYS 10 3HZ LYS 10 6.980 -7.146 -13.745 616 HZ2 LYS 10 1HZ LYS 10 6.755 -8.233 -15.022 617 HZ3 LYS 10 2HZ LYS 10 8.317 -7.773 -14.568 618 H LEU 11 H LEU 11 4.391 -9.120 -7.954 619 HA LEU 11 HA LEU 11 2.476 -7.172 -8.335 620 HG LEU 11 HG LEU 11 2.802 -10.457 -8.057 621 HB2 LEU 11 1HB LEU 11 2.558 -9.151 -6.052 622 HB3 LEU 11 2HB LEU 11 1.123 -8.345 -6.710 623 HD11 LEU 11 1HD1 LEU 11 0.079 -10.386 -6.819 624 HD12 LEU 11 2HD1 LEU 11 1.380 -11.554 -6.591 625 HD13 LEU 11 3HD1 LEU 11 0.460 -11.541 -8.096 626 HD21 LEU 11 3HD2 LEU 11 2.167 -8.897 -9.751 627 HD22 LEU 11 1HD2 LEU 11 0.523 -8.797 -9.121 628 HD23 LEU 11 2HD2 LEU 11 1.090 -10.290 -9.871 629 H PHE 12 H PHE 12 4.460 -7.750 -5.447 630 HA PHE 12 HA PHE 12 3.342 -5.570 -3.983 631 HD1 PHE 12 HD1 PHE 12 2.433 -6.344 -2.367 632 HD2 PHE 12 HD2 PHE 12 5.578 -9.211 -2.427 633 HE1 PHE 12 HE1 PHE 12 0.984 -7.952 -1.198 634 HE2 PHE 12 HE2 PHE 12 4.133 -10.826 -1.260 635 HZ PHE 12 HZ PHE 12 1.832 -10.197 -0.644 636 HB2 PHE 12 1HB PHE 12 5.849 -7.218 -3.590 637 HB3 PHE 12 2HB PHE 12 5.328 -5.960 -2.467 638 H GLU 13 H GLU 13 5.803 -5.871 -6.362 639 HA GLU 13 HA GLU 13 7.461 -3.713 -5.728 640 HE2 GLU 13 HE2 GLU 13 9.193 -5.218 -10.864 641 HB2 GLU 13 1HB GLU 13 7.589 -5.562 -7.608 642 HB3 GLU 13 2HB GLU 13 6.811 -4.305 -8.583 643 HG2 GLU 13 1HG GLU 13 8.666 -2.755 -7.943 644 HG3 GLU 13 2HG GLU 13 9.466 -4.137 -7.182 645 H GLU 14 H GLU 14 4.371 -3.834 -7.405 646 HA GLU 14 HA GLU 14 4.424 -1.088 -8.216 647 HE2 GLU 14 HE2 GLU 14 0.483 -3.411 -11.495 648 HB2 GLU 14 1HB GLU 14 1.962 -2.812 -7.937 649 HB3 GLU 14 2HB GLU 14 2.219 -1.438 -9.024 650 HG2 GLU 14 1HG GLU 14 4.144 -2.956 -9.978 651 HG3 GLU 14 2HG GLU 14 3.165 -4.246 -9.263 652 H TRP 15 H TRP 15 3.184 -2.873 -5.464 653 HA TRP 15 HA TRP 15 1.467 -1.006 -4.353 654 HD1 TRP 15 HD1 TRP 15 1.002 -3.313 -5.520 655 HE1 TRP 15 HE1 TRP 15 -0.841 -5.074 -5.166 656 HE3 TRP 15 HE3 TRP 15 1.374 -3.869 -0.451 657 HZ2 TRP 15 HZ2 TRP 15 -1.986 -6.509 -3.022 658 HZ3 TRP 15 HZ3 TRP 15 -0.133 -5.456 0.674 659 HH2 TRP 15 HH2 TRP 15 -1.778 -6.747 -0.586 660 HB2 TRP 15 1HB TRP 15 3.298 -3.040 -3.069 661 HB3 TRP 15 2HB TRP 15 2.176 -2.054 -2.130 662 H LYS 16 H LYS 16 4.965 -1.366 -3.794 663 HA LYS 16 HA LYS 16 5.147 0.930 -2.118 664 HB2 LYS 16 1HB LYS 16 6.788 -0.798 -1.873 665 HB3 LYS 16 2HB LYS 16 7.233 -0.689 -3.582 666 HG2 LYS 16 1HG LYS 16 7.530 1.843 -2.156 667 HG3 LYS 16 2HG LYS 16 8.537 0.535 -1.512 668 HD2 LYS 16 1HD LYS 16 9.044 0.127 -4.082 669 HD3 LYS 16 2HD LYS 16 8.601 1.839 -4.186 670 HE2 LYS 16 1HE LYS 16 10.410 1.272 -1.960 671 HE3 LYS 16 2HE LYS 16 11.089 0.845 -3.536 672 HZ1 LYS 16 3HZ LYS 16 9.813 3.471 -3.100 673 HZ2 LYS 16 1HZ LYS 16 10.929 3.021 -4.289 674 HZ3 LYS 16 2HZ LYS 16 11.432 3.209 -2.686 675 H LYS 17 H LYS 17 5.417 0.368 -5.552 676 HA LYS 17 HA LYS 17 6.697 2.784 -6.258 677 HB2 LYS 17 1HB LYS 17 5.642 0.513 -7.591 678 HB3 LYS 17 2HB LYS 17 4.897 1.943 -8.323 679 HG2 LYS 17 1HG LYS 17 6.907 2.783 -9.089 680 HG3 LYS 17 2HG LYS 17 7.850 1.868 -7.900 681 HD2 LYS 17 1HD LYS 17 6.992 -0.232 -9.134 682 HD3 LYS 17 2HD LYS 17 6.575 0.895 -10.436 683 HE2 LYS 17 1HE LYS 17 9.330 0.588 -9.218 684 HE3 LYS 17 2HE LYS 17 8.796 -0.136 -10.742 685 HZ1 LYS 17 3HZ LYS 17 8.631 2.781 -10.309 686 HZ2 LYS 17 1HZ LYS 17 8.661 1.928 -11.770 687 HZ3 LYS 17 2HZ LYS 17 10.066 2.058 -10.837 688 H LEU 18 H LEU 18 3.254 1.872 -6.255 689 HA LEU 18 HA LEU 18 2.206 4.298 -7.115 690 HG LEU 18 HG LEU 18 1.565 1.750 -7.773 691 HB2 LEU 18 1HB LEU 18 1.018 2.311 -5.170 692 HB3 LEU 18 2HB LEU 18 0.124 3.601 -5.995 693 HD11 LEU 18 1HD1 LEU 18 -0.085 0.718 -5.659 694 HD12 LEU 18 2HD1 LEU 18 0.817 -0.147 -6.903 695 HD13 LEU 18 3HD1 LEU 18 -0.825 0.407 -7.229 696 HD21 LEU 18 3HD2 LEU 18 -0.811 1.829 -8.799 697 HD22 LEU 18 1HD2 LEU 18 0.202 3.271 -8.868 698 HD23 LEU 18 2HD2 LEU 18 -1.078 3.150 -7.661 699 H ALA 19 H ALA 19 3.546 3.412 -4.055 700 HA ALA 19 HA ALA 19 2.338 5.500 -2.522 701 HB1 ALA 19 3HB ALA 19 3.205 3.438 -1.499 702 HB2 ALA 19 1HB ALA 19 4.843 3.924 -1.939 703 HB3 ALA 19 2HB ALA 19 3.917 4.887 -0.787 704 H GLU 20 H GLU 20 5.181 5.222 -4.521 705 HA GLU 20 HA GLU 20 6.487 7.564 -3.539 706 HE2 GLU 20 HE2 GLU 20 11.317 5.717 -5.131 707 HB2 GLU 20 1HB GLU 20 6.817 5.951 -6.074 708 HB3 GLU 20 2HB GLU 20 7.831 7.344 -5.667 709 HG2 GLU 20 1HG GLU 20 8.343 6.106 -3.480 710 HG3 GLU 20 2HG GLU 20 7.667 4.688 -4.293 711 H GLU 21 H GLU 21 4.581 6.867 -6.463 712 HA GLU 21 HA GLU 21 4.676 9.402 -7.605 713 HE2 GLU 21 HE2 GLU 21 1.833 5.185 -10.319 714 HB2 GLU 21 1HB GLU 21 2.521 8.758 -8.721 715 HB3 GLU 21 2HB GLU 21 3.830 7.577 -8.890 716 HG2 GLU 21 1HG GLU 21 2.832 6.291 -6.997 717 HG3 GLU 21 2HG GLU 21 1.460 7.407 -7.048 718 H ALA 22 H ALA 22 2.326 8.052 -5.312 719 HA ALA 22 HA ALA 22 0.668 10.329 -5.176 720 HB1 ALA 22 3HB ALA 22 -0.272 8.333 -4.394 721 HB2 ALA 22 1HB ALA 22 1.100 7.997 -3.338 722 HB3 ALA 22 2HB ALA 22 -0.020 9.300 -2.940 723 H ALA 23 H ALA 23 3.609 9.432 -3.497 724 HA ALA 23 HA ALA 23 3.444 11.425 -1.470 725 HB1 ALA 23 3HB ALA 23 5.256 9.329 -2.222 726 HB2 ALA 23 1HB ALA 23 6.148 10.810 -1.873 727 HB3 ALA 23 2HB ALA 23 5.057 10.131 -0.664 728 H LYS 24 H LYS 24 5.266 11.218 -4.522 729 HA LYS 24 HA LYS 24 6.449 13.771 -4.330 730 HB2 LYS 24 1HB LYS 24 6.928 13.525 -6.728 731 HB3 LYS 24 2HB LYS 24 7.326 12.056 -5.823 732 HG2 LYS 24 1HG LYS 24 5.259 11.002 -6.572 733 HG3 LYS 24 2HG LYS 24 4.830 12.476 -7.456 734 HD2 LYS 24 1HD LYS 24 5.752 10.933 -9.035 735 HD3 LYS 24 2HD LYS 24 6.945 12.217 -8.769 736 HE2 LYS 24 1HE LYS 24 8.449 10.816 -7.831 737 HE3 LYS 24 2HE LYS 24 7.198 9.917 -6.960 738 HZ1 LYS 24 3HZ LYS 24 8.556 9.097 -9.209 739 HZ2 LYS 24 1HZ LYS 24 6.998 9.466 -9.757 740 HZ3 LYS 24 2HZ LYS 24 7.213 8.347 -8.506 741 H LEU 25 H LEU 25 3.403 12.652 -5.690 742 HA LEU 25 HA LEU 25 2.748 15.173 -6.889 743 HG LEU 25 HG LEU 25 2.511 12.981 -8.660 744 HB2 LEU 25 1HB LEU 25 1.424 12.541 -6.522 745 HB3 LEU 25 2HB LEU 25 0.375 13.949 -6.761 746 HD11 LEU 25 1HD1 LEU 25 0.790 12.207 -10.040 747 HD12 LEU 25 2HD1 LEU 25 -0.449 13.076 -9.137 748 HD13 LEU 25 3HD1 LEU 25 0.335 11.666 -8.426 749 HD21 LEU 25 3HD2 LEU 25 0.663 14.873 -9.762 750 HD22 LEU 25 1HD2 LEU 25 2.424 14.951 -9.675 751 HD23 LEU 25 2HD2 LEU 25 1.448 15.562 -8.338 752 H LEU 26 H LEU 26 1.950 13.513 -3.882 753 HA LEU 26 HA LEU 26 -0.086 15.085 -2.911 754 HG LEU 26 HG LEU 26 -0.442 12.761 -2.143 755 HB2 LEU 26 1HB LEU 26 2.041 13.420 -1.732 756 HB3 LEU 26 2HB LEU 26 1.349 14.642 -0.651 757 HD11 LEU 26 1HD1 LEU 26 0.198 11.966 0.586 758 HD12 LEU 26 2HD1 LEU 26 1.558 11.811 -0.525 759 HD13 LEU 26 3HD1 LEU 26 0.037 10.989 -0.874 760 HD21 LEU 26 3HD2 LEU 26 -0.617 14.594 0.189 761 HD22 LEU 26 1HD2 LEU 26 -1.602 13.130 0.204 762 HD23 LEU 26 2HD2 LEU 26 -1.774 14.295 -1.109 763 H GLU 27 H GLU 27 3.407 15.673 -2.663 764 HA GLU 27 HA GLU 27 2.940 18.266 -1.434 765 HE2 GLU 27 HE2 GLU 27 3.707 19.150 1.649 766 HB2 GLU 27 1HB GLU 27 4.795 16.733 -0.707 767 HB3 GLU 27 2HB GLU 27 5.570 17.040 -2.269 768 HG2 GLU 27 1HG GLU 27 6.540 18.423 -0.515 769 HG3 GLU 27 2HG GLU 27 5.742 19.404 -1.753 770 H GLY 28 H GLY 28 3.187 16.993 -4.543 771 HA2 GLY 28 1HA GLY 28 3.214 17.999 -6.609 772 HA3 GLY 28 2HA GLY 28 2.964 19.530 -5.781 773 H GLY 29 H GLY 29 5.706 17.629 -4.889 774 HA2 GLY 29 1HA GLY 29 7.445 19.277 -6.606 775 HA3 GLY 29 2HA GLY 29 7.735 19.203 -4.874 776 H GLY 30 H GLY 30 7.535 16.646 -4.193 777 HA2 GLY 30 1HA GLY 30 8.224 14.457 -5.335 778 HA3 GLY 30 2HA GLY 30 9.644 15.376 -5.813 779 H GLY 31 H GLY 31 8.091 13.622 -3.288 780 HA2 GLY 31 1HA GLY 31 9.833 12.575 -1.786 781 HA3 GLY 31 2HA GLY 31 10.348 14.227 -1.482 782 H GLY 32 H GLY 32 7.447 15.081 -1.575 783 HA2 GLY 32 1HA GLY 32 5.524 14.837 -0.191 784 HA3 GLY 32 2HA GLY 32 6.481 13.867 0.917 785 H GLY 33 H GLY 33 5.110 15.584 2.234 786 HA2 GLY 33 1HA GLY 33 6.142 18.230 2.382 787 HA3 GLY 33 2HA GLY 33 5.116 17.451 3.577 788 H GLY 34 H GLY 34 7.161 15.217 3.748 789 HA2 GLY 34 1HA GLY 34 9.073 14.714 4.933 790 HA3 GLY 34 2HA GLY 34 9.556 16.395 4.767 791 H GLY 35 H GLY 35 7.451 14.223 6.615 792 HA2 GLY 35 1HA GLY 35 8.221 15.261 9.108 793 HA3 GLY 35 2HA GLY 35 6.728 16.052 8.623 794 H GLU 36 H GLU 36 5.661 15.098 10.415 795 HA GLU 36 HA GLU 36 5.554 12.307 10.854 796 HE2 GLU 36 HE2 GLU 36 4.558 13.370 15.819 797 HB2 GLU 36 1HB GLU 36 3.379 14.258 11.610 798 HB3 GLU 36 2HB GLU 36 3.846 12.761 12.432 799 HG2 GLU 36 1HG GLU 36 6.139 13.985 12.747 800 HG3 GLU 36 2HG GLU 36 5.158 15.433 12.481 801 H LEU 37 H LEU 37 3.240 14.529 9.305 802 HA LEU 37 HA LEU 37 1.284 12.715 8.602 803 HG LEU 37 HG LEU 37 0.457 13.325 6.053 804 HB2 LEU 37 1HB LEU 37 0.806 14.983 8.261 805 HB3 LEU 37 2HB LEU 37 2.269 15.224 7.290 806 HD11 LEU 37 1HD1 LEU 37 -1.440 14.560 5.743 807 HD12 LEU 37 2HD1 LEU 37 -0.626 16.095 6.044 808 HD13 LEU 37 3HD1 LEU 37 -1.031 15.033 7.393 809 HD21 LEU 37 3HD2 LEU 37 2.306 14.360 4.887 810 HD22 LEU 37 1HD2 LEU 37 1.643 15.964 5.202 811 HD23 LEU 37 2HD2 LEU 37 0.783 14.847 4.141 812 H MET 38 H MET 38 4.031 13.750 6.573 813 HA MET 38 HA MET 38 3.551 11.982 4.458 814 HB2 MET 38 1HB MET 38 5.055 13.900 4.267 815 HB3 MET 38 2HB MET 38 6.176 13.143 5.409 816 HG2 MET 38 1HG MET 38 5.807 11.222 3.425 817 HG3 MET 38 2HG MET 38 5.904 12.759 2.561 818 HE1 MET 38 3HE MET 38 8.004 12.143 6.044 819 HE2 MET 38 1HE MET 38 7.374 10.654 5.337 820 HE3 MET 38 2HE MET 38 9.107 10.977 5.312 821 H LYS 39 H LYS 39 5.184 11.538 7.517 822 HA LYS 39 HA LYS 39 6.635 9.227 7.024 823 HB2 LYS 39 1HB LYS 39 6.113 10.769 9.222 824 HB3 LYS 39 2HB LYS 39 5.253 9.274 9.621 825 HG2 LYS 39 1HG LYS 39 7.144 8.257 10.171 826 HG3 LYS 39 2HG LYS 39 7.851 8.644 8.592 827 HD2 LYS 39 1HD LYS 39 8.775 10.656 9.346 828 HD3 LYS 39 2HD LYS 39 7.699 10.719 10.753 829 HE2 LYS 39 1HE LYS 39 8.996 8.383 11.234 830 HE3 LYS 39 2HE LYS 39 10.252 9.296 10.384 831 HZ1 LYS 39 3HZ LYS 39 9.356 11.135 12.100 832 HZ2 LYS 39 1HZ LYS 39 10.655 10.101 12.425 833 HZ3 LYS 39 2HZ LYS 39 9.113 9.730 13.012 834 H LEU 40 H LEU 40 3.203 9.663 7.437 835 HA LEU 40 HA LEU 40 2.559 6.933 7.914 836 HG LEU 40 HG LEU 40 1.494 9.147 9.454 837 HB2 LEU 40 1HB LEU 40 0.985 9.337 7.027 838 HB3 LEU 40 2HB LEU 40 0.252 7.725 7.100 839 HD11 LEU 40 1HD1 LEU 40 -1.437 8.710 8.989 840 HD12 LEU 40 2HD1 LEU 40 -0.616 10.169 8.438 841 HD13 LEU 40 3HD1 LEU 40 -0.647 9.770 10.156 842 HD21 LEU 40 3HD2 LEU 40 1.243 7.252 10.588 843 HD22 LEU 40 1HD2 LEU 40 0.912 6.448 9.053 844 HD23 LEU 40 2HD2 LEU 40 -0.420 7.068 10.028 845 H CYS 41 H CYS 41 2.950 8.899 5.038 846 HA CYS 41 HA CYS 41 1.857 6.958 3.241 847 HG CYS 41 HG CYS 41 1.822 10.579 4.006 848 HB2 CYS 41 1HB CYS 41 3.733 9.226 2.571 849 HB3 CYS 41 2HB CYS 41 2.598 8.414 1.480 850 H GLU 42 H GLU 42 5.045 7.717 4.480 851 HA GLU 42 HA GLU 42 6.474 6.087 2.623 852 HE2 GLU 42 HE2 GLU 42 10.777 7.188 6.497 853 HB2 GLU 42 1HB GLU 42 7.522 7.967 3.825 854 HB3 GLU 42 2HB GLU 42 7.315 7.090 5.348 855 HG2 GLU 42 1HG GLU 42 8.741 5.260 4.409 856 HG3 GLU 42 2HG GLU 42 9.065 6.319 3.029 857 H GLU 43 H GLU 43 4.810 5.519 5.605 858 HA GLU 43 HA GLU 43 6.049 3.216 6.533 859 HE2 GLU 43 HE2 GLU 43 4.163 3.792 11.378 860 HB2 GLU 43 1HB GLU 43 3.134 4.021 6.603 861 HB3 GLU 43 2HB GLU 43 3.797 2.644 7.497 862 HG2 GLU 43 1HG GLU 43 5.349 5.021 8.007 863 HG3 GLU 43 2HG GLU 43 3.633 5.293 8.345 864 H ALA 44 H ALA 44 3.836 3.657 3.866 865 HA ALA 44 HA ALA 44 2.938 1.086 3.421 866 HB1 ALA 44 3HB ALA 44 3.301 1.955 0.880 867 HB2 ALA 44 1HB ALA 44 1.945 2.417 1.908 868 HB3 ALA 44 2HB ALA 44 3.346 3.479 1.767 869 H ALA 45 H ALA 45 6.014 2.545 2.438 870 HA ALA 45 HA ALA 45 6.924 0.208 1.056 871 HB1 ALA 45 3HB ALA 45 9.155 1.758 1.708 872 HB2 ALA 45 1HB ALA 45 8.256 1.759 0.191 873 HB3 ALA 45 2HB ALA 45 7.838 2.905 1.465 874 H LYS 46 H LYS 46 6.946 1.283 4.330 875 HA LYS 46 HA LYS 46 9.168 -0.259 5.230 876 HB2 LYS 46 1HB LYS 46 7.397 1.647 6.327 877 HB3 LYS 46 2HB LYS 46 7.226 0.183 7.307 878 HG2 LYS 46 1HG LYS 46 9.852 1.536 6.686 879 HG3 LYS 46 2HG LYS 46 8.922 1.745 8.179 880 HD2 LYS 46 1HD LYS 46 9.760 -0.128 9.049 881 HD3 LYS 46 2HD LYS 46 9.278 -1.054 7.617 882 HE2 LYS 46 1HE LYS 46 11.345 -0.990 6.708 883 HE3 LYS 46 2HE LYS 46 11.613 0.682 7.222 884 HZ1 LYS 46 3HZ LYS 46 12.947 -0.135 8.774 885 HZ2 LYS 46 1HZ LYS 46 12.481 -1.729 8.450 886 HZ3 LYS 46 2HZ LYS 46 11.591 -0.793 9.543 887 H LYS 47 H LYS 47 5.650 -0.754 5.320 888 HA LYS 47 HA LYS 47 5.842 -3.339 6.523 889 HB2 LYS 47 1HB LYS 47 3.779 -1.487 5.837 890 HB3 LYS 47 2HB LYS 47 3.374 -3.059 5.130 891 HG2 LYS 47 1HG LYS 47 4.192 -2.805 8.011 892 HG3 LYS 47 2HG LYS 47 2.519 -2.549 7.482 893 HD2 LYS 47 1HD LYS 47 2.380 -4.778 7.912 894 HD3 LYS 47 2HD LYS 47 2.978 -4.869 6.246 895 HE2 LYS 47 1HE LYS 47 4.866 -5.867 6.898 896 HE3 LYS 47 2HE LYS 47 5.176 -4.590 8.083 897 HZ1 LYS 47 3HZ LYS 47 4.042 -5.733 9.737 898 HZ2 LYS 47 1HZ LYS 47 4.869 -6.967 8.924 899 HZ3 LYS 47 2HZ LYS 47 3.218 -6.727 8.644 900 H ALA 48 H ALA 48 5.089 -2.221 3.227 901 HA ALA 48 HA ALA 48 4.742 -4.675 2.001 902 HB1 ALA 48 3HB ALA 48 4.206 -2.772 0.741 903 HB2 ALA 48 1HB ALA 48 5.808 -2.067 0.964 904 HB3 ALA 48 2HB ALA 48 5.600 -3.474 -0.080 905 H GLU 49 H GLU 49 7.766 -2.840 2.402 906 HA GLU 49 HA GLU 49 9.486 -4.563 1.077 907 HE2 GLU 49 HE2 GLU 49 13.490 -4.696 -0.042 908 HB2 GLU 49 1HB GLU 49 10.142 -2.338 1.868 909 HB3 GLU 49 2HB GLU 49 10.057 -2.909 3.541 910 HG2 GLU 49 1HG GLU 49 12.355 -2.839 2.846 911 HG3 GLU 49 2HG GLU 49 11.852 -4.521 3.063 912 H GLU 50 H GLU 50 8.104 -4.802 4.282 913 HA GLU 50 HA GLU 50 9.817 -6.859 5.235 914 HE2 GLU 50 HE2 GLU 50 9.002 -8.524 9.911 915 HB2 GLU 50 1HB GLU 50 7.627 -5.323 6.224 916 HB3 GLU 50 2HB GLU 50 7.269 -7.035 6.492 917 HG2 GLU 50 1HG GLU 50 9.974 -6.606 7.227 918 HG3 GLU 50 2HG GLU 50 8.997 -5.326 7.961 919 H LEU 51 H LEU 51 6.930 -6.810 3.294 920 HA LEU 51 HA LEU 51 6.274 -9.569 3.615 921 HG LEU 51 HG LEU 51 5.018 -6.471 3.169 922 HB2 LEU 51 1HB LEU 51 5.513 -7.904 1.232 923 HB3 LEU 51 2HB LEU 51 4.618 -9.226 2.002 924 HD11 LEU 51 1HD1 LEU 51 2.462 -7.675 2.149 925 HD12 LEU 51 2HD1 LEU 51 3.515 -6.687 1.137 926 HD13 LEU 51 3HD1 LEU 51 2.789 -5.999 2.590 927 HD21 LEU 51 3HD2 LEU 51 2.887 -7.938 4.346 928 HD22 LEU 51 1HD2 LEU 51 4.356 -7.325 5.105 929 HD23 LEU 51 2HD2 LEU 51 4.340 -8.937 4.390 930 H PHE 52 H PHE 52 7.828 -7.719 0.999 931 HA PHE 52 HA PHE 52 8.363 -9.894 -0.680 932 HD1 PHE 52 HD2 PHE 52 12.060 -7.989 -0.663 933 HD2 PHE 52 HD1 PHE 52 9.041 -8.975 -3.497 934 HE1 PHE 52 HE2 PHE 52 13.796 -8.649 -2.277 935 HE2 PHE 52 HE1 PHE 52 10.771 -9.637 -5.116 936 HZ PHE 52 HZ PHE 52 13.152 -9.473 -4.507 937 HB2 PHE 52 1HB PHE 52 8.514 -7.650 -1.532 938 HB3 PHE 52 2HB PHE 52 9.778 -7.243 -0.369 939 H LYS 53 H LYS 53 9.890 -8.836 2.224 940 HA LYS 53 HA LYS 53 12.465 -9.826 1.956 941 HB2 LYS 53 1HB LYS 53 11.000 -8.688 3.979 942 HB3 LYS 53 2HB LYS 53 11.258 -10.333 4.584 943 HG2 LYS 53 1HG LYS 53 13.111 -9.318 5.434 944 HG3 LYS 53 2HG LYS 53 13.745 -9.849 3.866 945 HD2 LYS 53 1HD LYS 53 14.118 -7.748 3.209 946 HD3 LYS 53 2HD LYS 53 12.466 -7.269 3.639 947 HE2 LYS 53 1HE LYS 53 13.665 -5.932 5.075 948 HE3 LYS 53 2HE LYS 53 13.410 -7.361 6.089 949 HZ1 LYS 53 3HZ LYS 53 15.838 -6.224 5.272 950 HZ2 LYS 53 1HZ LYS 53 15.738 -7.774 4.603 951 HZ3 LYS 53 2HZ LYS 53 15.591 -7.564 6.275 952 H LEU 54 H LEU 54 9.704 -11.530 3.446 953 HA LEU 54 HA LEU 54 11.084 -14.037 3.449 954 HG LEU 54 HG LEU 54 8.732 -14.295 6.268 955 HB2 LEU 54 1HB LEU 54 8.373 -13.063 4.203 956 HB3 LEU 54 2HB LEU 54 8.576 -14.794 3.885 957 HD11 LEU 54 1HD1 LEU 54 11.386 -15.034 6.280 958 HD12 LEU 54 2HD1 LEU 54 10.817 -15.576 4.701 959 HD13 LEU 54 3HD1 LEU 54 10.002 -16.121 6.166 960 HD21 LEU 54 3HD2 LEU 54 11.320 -12.876 5.865 961 HD22 LEU 54 1HD2 LEU 54 10.180 -12.790 7.208 962 HD23 LEU 54 2HD2 LEU 54 9.815 -11.971 5.688 963 H ALA 55 H ALA 55 8.516 -12.591 1.488 964 HA ALA 55 HA ALA 55 7.851 -14.785 -0.081 965 HB1 ALA 55 3HB ALA 55 6.735 -13.316 -1.459 966 HB2 ALA 55 1HB ALA 55 6.851 -12.378 0.030 967 HB3 ALA 55 2HB ALA 55 7.966 -12.063 -1.300 968 H GLU 56 H GLU 56 10.636 -12.692 -0.211 969 HA GLU 56 HA GLU 56 11.477 -13.526 -2.826 970 HE2 GLU 56 HE2 GLU 56 16.483 -10.220 -2.531 971 HB2 GLU 56 1HB GLU 56 12.182 -11.366 -2.141 972 HB3 GLU 56 2HB GLU 56 12.822 -11.987 -0.611 973 HG2 GLU 56 1HG GLU 56 14.538 -13.251 -1.891 974 HG3 GLU 56 2HG GLU 56 13.947 -12.462 -3.361 975 H GLU 57 H GLU 57 11.857 -14.696 0.401 976 HA GLU 57 HA GLU 57 14.230 -16.185 0.077 977 HE2 GLU 57 HE2 GLU 57 16.837 -18.033 1.716 978 HB2 GLU 57 1HB GLU 57 13.286 -15.667 2.276 979 HB3 GLU 57 2HB GLU 57 11.885 -16.686 1.918 980 HG2 GLU 57 1HG GLU 57 13.294 -17.961 3.315 981 HG3 GLU 57 2HG GLU 57 13.471 -18.616 1.681 982 H ARG 58 H ARG 58 10.812 -17.114 -0.234 983 HA ARG 58 HA ARG 58 11.457 -19.777 -1.095 984 HE ARG 58 HE ARG 58 10.138 -18.076 1.179 985 HB2 ARG 58 1HB ARG 58 8.950 -19.802 -1.667 986 HB3 ARG 58 2HB ARG 58 9.411 -19.630 0.034 987 HG2 ARG 58 1HG ARG 58 9.192 -17.037 -1.198 988 HG3 ARG 58 2HG ARG 58 7.711 -17.977 -1.443 989 HD2 ARG 58 1HD ARG 58 7.825 -16.560 0.672 990 HD3 ARG 58 2HD ARG 58 7.370 -18.259 0.865 991 HH11 ARG 58 1HH1 ARG 58 7.229 -17.026 2.777 992 HH12 ARG 58 2HH1 ARG 58 7.942 -17.019 4.355 993 HH21 ARG 58 1HH2 ARG 58 11.089 -18.071 3.252 994 HH22 ARG 58 2HH2 ARG 58 10.139 -17.613 4.625 995 H LEU 59 H LEU 59 10.738 -16.722 -2.626 996 HA LEU 59 HA LEU 59 10.241 -17.772 -5.228 997 HG LEU 59 HG LEU 59 8.905 -15.804 -6.414 998 HB2 LEU 59 1HB LEU 59 10.551 -15.128 -3.978 999 HB3 LEU 59 2HB LEU 59 11.077 -15.217 -5.668 1000 HD11 LEU 59 1HD1 LEU 59 8.143 -16.091 -3.511 1001 HD12 LEU 59 2HD1 LEU 59 8.328 -17.400 -4.678 1002 HD13 LEU 59 3HD1 LEU 59 7.038 -16.213 -4.880 1003 HD21 LEU 59 3HD2 LEU 59 8.068 -13.852 -4.358 1004 HD22 LEU 59 1HD2 LEU 59 7.901 -13.799 -6.114 1005 HD23 LEU 59 2HD2 LEU 59 9.447 -13.401 -5.362 1006 H LYS 60 H LYS 60 13.024 -15.954 -3.927 1007 HA LYS 60 HA LYS 60 14.746 -17.448 -5.791 1008 HB2 LYS 60 1HB LYS 60 16.147 -15.194 -5.631 1009 HB3 LYS 60 2HB LYS 60 14.868 -15.418 -6.837 1010 HG2 LYS 60 1HG LYS 60 14.004 -14.308 -4.239 1011 HG3 LYS 60 2HG LYS 60 15.047 -13.273 -5.231 1012 HD2 LYS 60 1HD LYS 60 13.008 -14.526 -6.856 1013 HD3 LYS 60 2HD LYS 60 12.289 -13.643 -5.497 1014 HE2 LYS 60 1HE LYS 60 13.177 -11.597 -6.172 1015 HE3 LYS 60 2HE LYS 60 14.431 -12.370 -7.155 1016 HZ1 LYS 60 3HZ LYS 60 11.808 -13.046 -8.056 1017 HZ2 LYS 60 1HZ LYS 60 13.104 -12.384 -8.919 1018 HZ3 LYS 60 2HZ LYS 60 12.054 -11.372 -8.061 1019 H LYS 61 H LYS 61 17.181 -16.855 -5.090 1020 HA LYS 61 HA LYS 61 17.403 -17.879 -2.387 1021 HB2 LYS 61 1HB LYS 61 18.753 -18.658 -4.439 1022 HB3 LYS 61 2HB LYS 61 19.707 -17.186 -4.194 1023 HG2 LYS 61 1HG LYS 61 20.569 -17.910 -2.161 1024 HG3 LYS 61 2HG LYS 61 19.283 -19.111 -1.944 1025 HD2 LYS 61 1HD LYS 61 20.357 -20.680 -3.154 1026 HD3 LYS 61 2HD LYS 61 20.906 -19.501 -4.358 1027 HE2 LYS 61 1HE LYS 61 22.905 -19.233 -3.367 1028 HE3 LYS 61 2HE LYS 61 22.179 -19.163 -1.755 1029 HZ1 LYS 61 3HZ LYS 61 23.685 -21.192 -2.659 1030 HZ2 LYS 61 1HZ LYS 61 22.129 -21.783 -2.967 1031 HZ3 LYS 61 2HZ LYS 61 22.565 -21.324 -1.399 1032 H LEU 62 H LEU 62 16.603 -15.941 -1.337 1033 HA LEU 62 HA LEU 62 17.679 -13.405 -1.505 1034 HG LEU 62 HG LEU 62 16.393 -11.896 -0.107 1035 HB2 LEU 62 1HB LEU 62 15.690 -14.321 -0.121 1036 HB3 LEU 62 2HB LEU 62 16.910 -14.591 1.136 1037 HD11 LEU 62 1HD1 LEU 62 15.406 -12.700 2.596 1038 HD12 LEU 62 2HD1 LEU 62 14.436 -13.024 1.160 1039 HD13 LEU 62 3HD1 LEU 62 14.888 -11.368 1.564 1040 HD21 LEU 62 3HD2 LEU 62 18.412 -11.637 0.899 1041 HD22 LEU 62 1HD2 LEU 62 18.144 -12.962 2.031 1042 HD23 LEU 62 2HD2 LEU 62 17.387 -11.394 2.314 1043 HC1 HLT 101 HC1 HLT 101 0.584 -0.874 -1.859 Start of MODEL 7 1 HA MET 1 HA MET 1 -14.652 20.826 3.105 2 H1 MET 1 1H MET 1 -13.427 22.976 3.808 3 HB2 MET 1 1HB MET 1 -15.567 22.918 1.198 4 HB3 MET 1 2HB MET 1 -15.254 21.306 0.539 5 HG2 MET 1 1HG MET 1 -17.120 20.454 1.412 6 HG3 MET 1 2HG MET 1 -16.819 21.213 2.978 7 HE1 MET 1 3HE MET 1 -19.950 21.014 1.645 8 HE2 MET 1 1HE MET 1 -20.129 22.153 0.308 9 HE3 MET 1 2HE MET 1 -18.962 20.835 0.193 10 H LYS 2 H LYS 2 -12.673 23.284 1.565 11 HA LYS 2 HA LYS 2 -10.651 23.190 0.526 12 HB2 LYS 2 1HB LYS 2 -10.646 21.051 2.439 13 HB3 LYS 2 2HB LYS 2 -9.765 20.543 0.990 14 HG2 LYS 2 1HG LYS 2 -8.101 21.482 2.294 15 HG3 LYS 2 2HG LYS 2 -8.548 22.806 1.203 16 HD2 LYS 2 1HD LYS 2 -10.057 22.632 3.751 17 HD3 LYS 2 2HD LYS 2 -8.350 23.101 3.863 18 HE2 LYS 2 1HE LYS 2 -8.742 24.892 2.207 19 HE3 LYS 2 2HE LYS 2 -10.452 24.437 2.158 20 HZ1 LYS 2 3HZ LYS 2 -10.839 25.658 3.947 21 HZ2 LYS 2 1HZ LYS 2 -9.238 26.206 3.904 22 HZ3 LYS 2 2HZ LYS 2 -9.644 24.852 4.834 23 H LYS 3 H LYS 3 -9.465 22.146 -1.266 24 HA LYS 3 HA LYS 3 -11.035 20.217 -2.805 25 HB2 LYS 3 1HB LYS 3 -11.828 22.290 -3.688 26 HB3 LYS 3 2HB LYS 3 -10.184 22.942 -3.782 27 HG2 LYS 3 1HG LYS 3 -9.722 21.909 -5.735 28 HG3 LYS 3 2HG LYS 3 -10.678 20.477 -5.319 29 HD2 LYS 3 1HD LYS 3 -12.019 21.335 -6.956 30 HD3 LYS 3 2HD LYS 3 -12.685 22.195 -5.557 31 HE2 LYS 3 1HE LYS 3 -11.222 24.121 -6.051 32 HE3 LYS 3 2HE LYS 3 -10.608 23.260 -7.469 33 HZ1 LYS 3 3HZ LYS 3 -12.357 23.891 -8.652 34 HZ2 LYS 3 1HZ LYS 3 -12.798 24.911 -7.377 35 HZ3 LYS 3 2HZ LYS 3 -13.451 23.354 -7.479 36 H LEU 4 H LEU 4 -8.041 22.086 -2.531 37 HA LEU 4 HA LEU 4 -6.550 20.445 -4.315 38 HG LEU 4 HG LEU 4 -4.689 23.609 -4.219 39 HB2 LEU 4 1HB LEU 4 -5.996 22.669 -2.443 40 HB3 LEU 4 2HB LEU 4 -4.641 21.584 -2.796 41 HD11 LEU 4 1HD1 LEU 4 -3.965 22.513 -6.114 42 HD12 LEU 4 2HD1 LEU 4 -5.204 21.264 -5.997 43 HD13 LEU 4 3HD1 LEU 4 -3.828 21.248 -4.892 44 HD21 LEU 4 3HD2 LEU 4 -6.427 24.194 -5.545 45 HD22 LEU 4 1HD2 LEU 4 -7.348 23.325 -4.318 46 HD23 LEU 4 2HD2 LEU 4 -6.919 22.523 -5.830 47 H ARG 5 H ARG 5 -7.153 20.412 -0.863 48 HA ARG 5 HA ARG 5 -5.146 18.492 -0.224 49 HE ARG 5 HE ARG 5 -4.459 21.806 4.080 50 HB2 ARG 5 1HB ARG 5 -7.646 19.333 1.262 51 HB3 ARG 5 2HB ARG 5 -6.383 18.286 1.929 52 HG2 ARG 5 1HG ARG 5 -4.788 20.258 1.341 53 HG3 ARG 5 2HG ARG 5 -6.285 21.206 1.320 54 HD2 ARG 5 1HD ARG 5 -6.565 21.086 3.564 55 HD3 ARG 5 2HD ARG 5 -5.963 19.424 3.640 56 HH11 ARG 5 1HH1 ARG 5 -4.247 18.541 2.889 57 HH12 ARG 5 2HH1 ARG 5 -2.557 18.387 3.234 58 HH21 ARG 5 1HH2 ARG 5 -2.233 21.614 4.541 59 HH22 ARG 5 2HH2 ARG 5 -1.413 20.135 4.176 60 H GLU 6 H GLU 6 -8.596 18.314 -0.967 61 HA GLU 6 HA GLU 6 -9.103 15.669 -0.341 62 HE2 GLU 6 HE2 GLU 6 -14.376 16.042 -2.683 63 HB2 GLU 6 1HB GLU 6 -10.528 17.689 -1.487 64 HB3 GLU 6 2HB GLU 6 -10.316 16.593 -2.861 65 HG2 GLU 6 1HG GLU 6 -11.357 14.785 -1.677 66 HG3 GLU 6 2HG GLU 6 -11.426 15.751 -0.197 67 H GLU 7 H GLU 7 -7.287 16.999 -2.985 68 HA GLU 7 HA GLU 7 -7.343 14.912 -4.814 69 HE2 GLU 7 HE2 GLU 7 -3.866 19.044 -6.635 70 HB2 GLU 7 1HB GLU 7 -5.047 16.754 -4.108 71 HB3 GLU 7 2HB GLU 7 -5.119 15.735 -5.553 72 HG2 GLU 7 1HG GLU 7 -7.213 16.942 -6.211 73 HG3 GLU 7 2HG GLU 7 -6.908 18.051 -4.867 74 H ALA 8 H ALA 8 -5.702 15.164 -1.761 75 HA ALA 8 HA ALA 8 -3.902 12.977 -2.208 76 HB1 ALA 8 3HB ALA 8 -4.217 13.330 0.554 77 HB2 ALA 8 1HB ALA 8 -2.925 13.955 -0.473 78 HB3 ALA 8 2HB ALA 8 -4.358 14.936 -0.160 79 H ALA 9 H ALA 9 -7.163 13.327 -1.077 80 HA ALA 9 HA ALA 9 -7.319 10.773 0.215 81 HB1 ALA 9 3HB ALA 9 -8.968 13.071 -0.020 82 HB2 ALA 9 1HB ALA 9 -9.900 11.671 -0.551 83 HB3 ALA 9 2HB ALA 9 -9.161 11.682 1.050 84 H LYS 10 H LYS 10 -7.741 11.960 -3.019 85 HA LYS 10 HA LYS 10 -9.293 9.808 -4.028 86 HB2 LYS 10 1HB LYS 10 -7.368 11.518 -5.609 87 HB3 LYS 10 2HB LYS 10 -8.813 10.681 -6.199 88 HG2 LYS 10 1HG LYS 10 -10.021 12.225 -4.428 89 HG3 LYS 10 2HG LYS 10 -8.581 13.226 -4.686 90 HD2 LYS 10 1HD LYS 10 -10.118 14.030 -6.261 91 HD3 LYS 10 2HD LYS 10 -9.063 12.952 -7.189 92 HE2 LYS 10 1HE LYS 10 -10.686 11.197 -7.175 93 HE3 LYS 10 2HE LYS 10 -11.681 12.064 -5.996 94 HZ1 LYS 10 3HZ LYS 10 -11.459 12.449 -8.868 95 HZ2 LYS 10 1HZ LYS 10 -11.588 13.862 -7.944 96 HZ3 LYS 10 2HZ LYS 10 -12.787 12.674 -7.843 97 H LEU 11 H LEU 11 -5.813 10.534 -4.311 98 HA LEU 11 HA LEU 11 -5.067 8.195 -5.625 99 HG LEU 11 HG LEU 11 -4.330 10.660 -3.086 100 HB2 LEU 11 1HB LEU 11 -2.796 8.623 -4.587 101 HB3 LEU 11 2HB LEU 11 -3.498 9.936 -5.550 102 HD11 LEU 11 1HD1 LEU 11 -2.981 10.028 -1.389 103 HD12 LEU 11 2HD1 LEU 11 -1.562 9.877 -2.423 104 HD13 LEU 11 3HD1 LEU 11 -2.771 8.594 -2.393 105 HD21 LEU 11 3HD2 LEU 11 -1.788 11.286 -4.561 106 HD22 LEU 11 1HD2 LEU 11 -2.249 12.126 -3.081 107 HD23 LEU 11 2HD2 LEU 11 -3.287 12.214 -4.504 108 H PHE 12 H PHE 12 -5.240 8.888 -2.151 109 HA PHE 12 HA PHE 12 -4.253 6.387 -1.290 110 HD1 PHE 12 HD2 PHE 12 -2.843 6.378 0.108 111 HD2 PHE 12 HD1 PHE 12 -4.552 10.149 1.097 112 HE1 PHE 12 HE2 PHE 12 -0.638 7.180 0.846 113 HE2 PHE 12 HE1 PHE 12 -2.350 10.956 1.838 114 HZ PHE 12 HZ PHE 12 -0.389 9.471 1.714 115 HB2 PHE 12 1HB PHE 12 -5.864 8.571 0.009 116 HB3 PHE 12 2HB PHE 12 -5.575 7.052 0.858 117 H GLU 13 H GLU 13 -7.282 7.357 -2.561 118 HA GLU 13 HA GLU 13 -8.964 5.449 -1.337 119 HE2 GLU 13 HE2 GLU 13 -12.448 7.822 -0.193 120 HB2 GLU 13 1HB GLU 13 -9.405 7.564 -2.936 121 HB3 GLU 13 2HB GLU 13 -9.539 6.265 -4.131 122 HG2 GLU 13 1HG GLU 13 -11.669 6.112 -3.518 123 HG3 GLU 13 2HG GLU 13 -11.060 5.321 -2.058 124 H GLU 14 H GLU 14 -6.961 5.359 -4.239 125 HA GLU 14 HA GLU 14 -7.888 2.783 -5.077 126 HE2 GLU 14 HE2 GLU 14 -6.198 5.738 -9.846 127 HB2 GLU 14 1HB GLU 14 -5.288 4.069 -5.901 128 HB3 GLU 14 2HB GLU 14 -6.290 2.931 -6.815 129 HG2 GLU 14 1HG GLU 14 -8.068 4.898 -6.574 130 HG3 GLU 14 2HG GLU 14 -6.583 5.853 -6.457 131 H TRP 15 H TRP 15 -5.362 3.973 -3.005 132 HA TRP 15 HA TRP 15 -3.700 1.703 -2.972 133 HD1 TRP 15 HD1 TRP 15 -2.429 3.125 -4.109 134 HE1 TRP 15 HE1 TRP 15 0.076 3.700 -4.239 135 HE3 TRP 15 HE3 TRP 15 -1.524 3.932 0.857 136 HZ2 TRP 15 HZ2 TRP 15 2.162 4.403 -2.470 137 HZ3 TRP 15 HZ3 TRP 15 0.753 4.552 1.556 138 HH2 TRP 15 HH2 TRP 15 2.556 4.781 -0.075 139 HB2 TRP 15 1HB TRP 15 -4.058 4.135 -1.347 140 HB3 TRP 15 2HB TRP 15 -3.422 2.753 -0.454 141 H LYS 16 H LYS 16 -6.406 2.646 -0.871 142 HA LYS 16 HA LYS 16 -6.270 0.224 0.666 143 HB2 LYS 16 1HB LYS 16 -7.183 2.578 1.340 144 HB3 LYS 16 2HB LYS 16 -8.682 2.005 0.588 145 HG2 LYS 16 1HG LYS 16 -7.832 -0.075 2.273 146 HG3 LYS 16 2HG LYS 16 -7.620 1.429 3.187 147 HD2 LYS 16 1HD LYS 16 -9.832 0.655 3.626 148 HD3 LYS 16 2HD LYS 16 -9.968 2.047 2.538 149 HE2 LYS 16 1HE LYS 16 -10.225 0.552 0.617 150 HE3 LYS 16 2HE LYS 16 -10.051 -0.847 1.688 151 HZ1 LYS 16 3HZ LYS 16 -12.160 1.137 2.215 152 HZ2 LYS 16 1HZ LYS 16 -12.109 -0.503 2.626 153 HZ3 LYS 16 2HZ LYS 16 -12.396 -0.042 1.025 154 H LYS 17 H LYS 17 -7.865 1.262 -2.221 155 HA LYS 17 HA LYS 17 -9.933 -0.708 -2.209 156 HB2 LYS 17 1HB LYS 17 -8.841 1.257 -4.171 157 HB3 LYS 17 2HB LYS 17 -9.806 -0.089 -4.794 158 HG2 LYS 17 1HG LYS 17 -11.038 1.235 -2.502 159 HG3 LYS 17 2HG LYS 17 -10.786 2.305 -3.892 160 HD2 LYS 17 1HD LYS 17 -11.974 -0.415 -4.314 161 HD3 LYS 17 2HD LYS 17 -12.984 0.905 -3.700 162 HE2 LYS 17 1HE LYS 17 -13.043 1.961 -5.688 163 HE3 LYS 17 2HE LYS 17 -11.327 1.652 -5.994 164 HZ1 LYS 17 3HZ LYS 17 -13.592 0.271 -6.996 165 HZ2 LYS 17 1HZ LYS 17 -12.568 -0.802 -6.182 166 HZ3 LYS 17 2HZ LYS 17 -11.971 0.135 -7.456 167 H LEU 18 H LEU 18 -6.896 -0.402 -4.054 168 HA LEU 18 HA LEU 18 -7.006 -2.827 -5.395 169 HG LEU 18 HG LEU 18 -5.882 -0.090 -6.154 170 HB2 LEU 18 1HB LEU 18 -4.644 -1.244 -4.383 171 HB3 LEU 18 2HB LEU 18 -4.492 -2.668 -5.427 172 HD11 LEU 18 1HD1 LEU 18 -3.736 0.556 -6.409 173 HD12 LEU 18 2HD1 LEU 18 -3.873 -0.351 -7.914 174 HD13 LEU 18 3HD1 LEU 18 -3.133 -1.100 -6.500 175 HD21 LEU 18 3HD2 LEU 18 -5.764 -1.185 -8.465 176 HD22 LEU 18 1HD2 LEU 18 -6.997 -1.765 -7.345 177 HD23 LEU 18 2HD2 LEU 18 -5.521 -2.698 -7.593 178 H ALA 19 H ALA 19 -6.052 -2.122 -2.103 179 HA ALA 19 HA ALA 19 -4.833 -4.623 -1.544 180 HB1 ALA 19 3HB ALA 19 -4.337 -2.755 -0.139 181 HB2 ALA 19 1HB ALA 19 -6.040 -2.542 0.270 182 HB3 ALA 19 2HB ALA 19 -5.165 -3.965 0.842 183 H GLU 20 H GLU 20 -8.124 -3.534 -1.656 184 HA GLU 20 HA GLU 20 -9.230 -5.634 -0.067 185 HE2 GLU 20 HE2 GLU 20 -13.431 -2.419 0.762 186 HB2 GLU 20 1HB GLU 20 -10.608 -3.941 -2.165 187 HB3 GLU 20 2HB GLU 20 -11.383 -4.858 -0.863 188 HG2 GLU 20 1HG GLU 20 -9.542 -3.174 0.409 189 HG3 GLU 20 2HG GLU 20 -10.326 -2.190 -0.836 190 H GLU 21 H GLU 21 -9.030 -5.051 -3.572 191 HA GLU 21 HA GLU 21 -10.201 -7.565 -4.253 192 HE2 GLU 21 HE2 GLU 21 -12.729 -7.081 -7.389 193 HB2 GLU 21 1HB GLU 21 -8.513 -5.752 -5.993 194 HB3 GLU 21 2HB GLU 21 -9.636 -7.007 -6.540 195 HG2 GLU 21 1HG GLU 21 -10.966 -5.104 -4.817 196 HG3 GLU 21 2HG GLU 21 -10.179 -4.305 -6.187 197 H ALA 22 H ALA 22 -6.876 -6.300 -4.370 198 HA ALA 22 HA ALA 22 -5.616 -8.589 -5.328 199 HB1 ALA 22 3HB ALA 22 -3.575 -7.641 -4.579 200 HB2 ALA 22 1HB ALA 22 -4.613 -6.298 -5.057 201 HB3 ALA 22 2HB ALA 22 -4.395 -6.680 -3.349 202 H ALA 23 H ALA 23 -6.967 -7.936 -2.227 203 HA ALA 23 HA ALA 23 -5.448 -9.889 -0.777 204 HB1 ALA 23 3HB ALA 23 -7.582 -9.536 0.793 205 HB2 ALA 23 1HB ALA 23 -6.244 -8.389 0.721 206 HB3 ALA 23 2HB ALA 23 -7.718 -8.084 -0.199 207 H LYS 24 H LYS 24 -8.836 -9.761 -1.889 208 HA LYS 24 HA LYS 24 -9.422 -12.440 -1.197 209 HB2 LYS 24 1HB LYS 24 -11.500 -12.119 -2.216 210 HB3 LYS 24 2HB LYS 24 -11.043 -10.496 -1.676 211 HG2 LYS 24 1HG LYS 24 -11.700 -9.957 -3.771 212 HG3 LYS 24 2HG LYS 24 -10.022 -10.401 -4.134 213 HD2 LYS 24 1HD LYS 24 -10.899 -11.799 -5.653 214 HD3 LYS 24 2HD LYS 24 -11.298 -12.822 -4.261 215 HE2 LYS 24 1HE LYS 24 -13.369 -12.690 -5.223 216 HE3 LYS 24 2HE LYS 24 -13.434 -11.266 -4.172 217 HZ1 LYS 24 3HZ LYS 24 -14.193 -10.788 -6.431 218 HZ2 LYS 24 1HZ LYS 24 -12.677 -11.221 -7.045 219 HZ3 LYS 24 2HZ LYS 24 -12.826 -9.875 -6.031 220 H LEU 25 H LEU 25 -8.029 -10.955 -4.027 221 HA LEU 25 HA LEU 25 -8.340 -13.259 -5.713 222 HG LEU 25 HG LEU 25 -9.259 -11.161 -7.200 223 HB2 LEU 25 1HB LEU 25 -7.278 -10.545 -5.937 224 HB3 LEU 25 2HB LEU 25 -6.324 -11.748 -6.822 225 HD11 LEU 25 1HD1 LEU 25 -8.705 -10.064 -9.149 226 HD12 LEU 25 2HD1 LEU 25 -7.132 -10.853 -9.273 227 HD13 LEU 25 3HD1 LEU 25 -7.389 -9.580 -8.079 228 HD21 LEU 25 3HD2 LEU 25 -8.027 -12.778 -9.238 229 HD22 LEU 25 1HD2 LEU 25 -9.479 -13.085 -8.284 230 HD23 LEU 25 2HD2 LEU 25 -7.898 -13.556 -7.660 231 H LEU 26 H LEU 26 -5.716 -11.836 -3.811 232 HA LEU 26 HA LEU 26 -3.596 -13.406 -4.591 233 HG LEU 26 HG LEU 26 -2.796 -11.063 -4.003 234 HB2 LEU 26 1HB LEU 26 -4.343 -11.924 -2.156 235 HB3 LEU 26 2HB LEU 26 -3.143 -13.206 -1.923 236 HD11 LEU 26 1HD1 LEU 26 -1.527 -9.769 -2.454 237 HD12 LEU 26 2HD1 LEU 26 -1.709 -10.992 -1.196 238 HD13 LEU 26 3HD1 LEU 26 -3.109 -10.066 -1.734 239 HD21 LEU 26 3HD2 LEU 26 -1.056 -13.131 -2.714 240 HD22 LEU 26 1HD2 LEU 26 -0.358 -11.682 -3.438 241 HD23 LEU 26 2HD2 LEU 26 -1.305 -12.794 -4.427 242 H GLU 27 H GLU 27 -5.965 -14.122 -2.033 243 HA GLU 27 HA GLU 27 -4.913 -16.824 -1.778 244 HE2 GLU 27 HE2 GLU 27 -6.852 -14.596 3.356 245 HB2 GLU 27 1HB GLU 27 -7.290 -15.666 -0.325 246 HB3 GLU 27 2HB GLU 27 -6.275 -17.035 0.156 247 HG2 GLU 27 1HG GLU 27 -4.361 -15.415 0.379 248 HG3 GLU 27 2HG GLU 27 -5.548 -14.119 0.166 249 H GLY 28 H GLY 28 -6.654 -15.563 -4.061 250 HA2 GLY 28 1HA GLY 28 -9.114 -16.897 -4.142 251 HA3 GLY 28 2HA GLY 28 -8.218 -16.341 -5.548 252 H GLY 29 H GLY 29 -5.972 -18.182 -4.368 253 HA2 GLY 29 1HA GLY 29 -6.202 -20.736 -4.187 254 HA3 GLY 29 2HA GLY 29 -6.959 -20.579 -5.767 255 H GLY 30 H GLY 30 -4.087 -19.005 -4.368 256 HA2 GLY 30 1HA GLY 30 -2.003 -20.354 -5.330 257 HA3 GLY 30 2HA GLY 30 -2.616 -19.622 -6.806 258 H GLY 31 H GLY 31 -1.184 -18.991 -3.663 259 HA2 GLY 31 1HA GLY 31 0.631 -17.159 -4.145 260 HA3 GLY 31 2HA GLY 31 -0.806 -16.170 -4.359 261 H GLY 32 H GLY 32 -0.271 -18.750 -1.992 262 HA2 GLY 32 1HA GLY 32 0.168 -16.886 0.163 263 HA3 GLY 32 2HA GLY 32 -1.441 -17.595 0.170 264 H GLY 33 H GLY 33 -0.038 -18.075 2.350 265 HA2 GLY 33 1HA GLY 33 0.344 -20.933 2.252 266 HA3 GLY 33 2HA GLY 33 1.820 -20.037 2.576 267 H GLY 34 H GLY 34 -1.550 -19.619 3.662 268 HA2 GLY 34 1HA GLY 34 -1.924 -20.506 6.022 269 HA3 GLY 34 2HA GLY 34 -0.514 -19.535 6.423 270 H GLY 35 H GLY 35 -1.298 -17.957 7.691 271 HA2 GLY 35 1HA GLY 35 -3.451 -16.290 6.551 272 HA3 GLY 35 2HA GLY 35 -3.449 -16.738 8.251 273 H GLU 36 H GLU 36 -1.219 -16.212 9.334 274 HA GLU 36 HA GLU 36 -0.977 -13.469 9.522 275 HE2 GLU 36 HE2 GLU 36 2.667 -15.047 13.492 276 HB2 GLU 36 1HB GLU 36 -0.112 -14.848 11.267 277 HB3 GLU 36 2HB GLU 36 1.011 -15.647 10.156 278 HG2 GLU 36 1HG GLU 36 2.441 -13.820 10.060 279 HG3 GLU 36 2HG GLU 36 1.198 -12.705 10.644 280 H LEU 37 H LEU 37 0.689 -15.696 7.380 281 HA LEU 37 HA LEU 37 2.729 -14.043 6.453 282 HG LEU 37 HG LEU 37 2.675 -14.569 3.571 283 HB2 LEU 37 1HB LEU 37 2.674 -16.396 5.932 284 HB3 LEU 37 2HB LEU 37 1.167 -16.186 5.024 285 HD11 LEU 37 1HD1 LEU 37 4.653 -16.485 4.795 286 HD12 LEU 37 2HD1 LEU 37 4.666 -14.726 4.913 287 HD13 LEU 37 3HD1 LEU 37 4.953 -15.507 3.358 288 HD21 LEU 37 3HD2 LEU 37 3.302 -17.370 2.968 289 HD22 LEU 37 1HD2 LEU 37 2.473 -16.154 1.997 290 HD23 LEU 37 2HD2 LEU 37 1.592 -17.040 3.241 291 H MET 38 H MET 38 -0.577 -14.451 5.211 292 HA MET 38 HA MET 38 -0.282 -12.530 3.134 293 HB2 MET 38 1HB MET 38 -1.978 -14.402 3.218 294 HB3 MET 38 2HB MET 38 -2.869 -13.430 4.401 295 HG2 MET 38 1HG MET 38 -3.966 -12.672 2.596 296 HG3 MET 38 2HG MET 38 -2.562 -11.613 2.443 297 HE1 MET 38 3HE MET 38 -0.600 -12.015 1.220 298 HE2 MET 38 1HE MET 38 -0.181 -13.702 0.926 299 HE3 MET 38 2HE MET 38 -0.615 -12.655 -0.424 300 H LYS 39 H LYS 39 -1.111 -12.358 6.499 301 HA LYS 39 HA LYS 39 -2.513 -9.974 6.636 302 HB2 LYS 39 1HB LYS 39 -1.439 -11.747 8.452 303 HB3 LYS 39 2HB LYS 39 -0.514 -10.270 8.756 304 HG2 LYS 39 1HG LYS 39 -2.494 -9.018 9.220 305 HG3 LYS 39 2HG LYS 39 -3.519 -10.362 8.688 306 HD2 LYS 39 1HD LYS 39 -2.114 -11.641 10.579 307 HD3 LYS 39 2HD LYS 39 -2.039 -9.994 11.228 308 HE2 LYS 39 1HE LYS 39 -3.985 -10.719 12.208 309 HE3 LYS 39 2HE LYS 39 -4.616 -10.011 10.714 310 HZ1 LYS 39 3HZ LYS 39 -3.883 -12.859 10.761 311 HZ2 LYS 39 1HZ LYS 39 -5.027 -12.063 9.802 312 HZ3 LYS 39 2HZ LYS 39 -5.357 -12.370 11.432 313 H LEU 40 H LEU 40 0.856 -10.529 6.000 314 HA LEU 40 HA LEU 40 1.968 -8.073 6.654 315 HG LEU 40 HG LEU 40 3.946 -9.696 7.048 316 HB2 LEU 40 1HB LEU 40 2.669 -10.361 5.042 317 HB3 LEU 40 2HB LEU 40 3.178 -8.858 4.251 318 HD11 LEU 40 1HD1 LEU 40 6.189 -9.502 5.382 319 HD12 LEU 40 2HD1 LEU 40 4.995 -10.438 4.482 320 HD13 LEU 40 3HD1 LEU 40 5.493 -10.961 6.090 321 HD21 LEU 40 3HD2 LEU 40 5.338 -7.799 7.111 322 HD22 LEU 40 1HD2 LEU 40 3.781 -7.217 6.519 323 HD23 LEU 40 2HD2 LEU 40 5.113 -7.475 5.391 324 H CYS 41 H CYS 41 0.850 -9.059 3.410 325 HA CYS 41 HA CYS 41 0.971 -6.433 2.353 326 HG CYS 41 HG CYS 41 -2.339 -8.637 1.330 327 HB2 CYS 41 1HB CYS 41 -0.072 -7.321 0.398 328 HB3 CYS 41 2HB CYS 41 1.065 -8.538 1.000 329 H GLU 42 H GLU 42 -1.453 -8.201 4.092 330 HA GLU 42 HA GLU 42 -3.755 -6.813 3.338 331 HE2 GLU 42 HE2 GLU 42 -6.550 -10.407 6.602 332 HB2 GLU 42 1HB GLU 42 -3.560 -8.909 4.778 333 HB3 GLU 42 2HB GLU 42 -3.231 -7.816 6.131 334 HG2 GLU 42 1HG GLU 42 -5.393 -6.715 5.779 335 HG3 GLU 42 2HG GLU 42 -5.725 -7.829 4.445 336 H GLU 43 H GLU 43 -1.101 -5.867 5.343 337 HA GLU 43 HA GLU 43 -2.240 -3.914 6.948 338 HE2 GLU 43 HE2 GLU 43 0.093 -4.412 10.645 339 HB2 GLU 43 1HB GLU 43 0.481 -3.866 5.621 340 HB3 GLU 43 2HB GLU 43 -0.008 -2.878 7.006 341 HG2 GLU 43 1HG GLU 43 -0.495 -5.677 7.522 342 HG3 GLU 43 2HG GLU 43 1.189 -5.389 7.064 343 H ALA 44 H ALA 44 -1.563 -3.879 3.542 344 HA ALA 44 HA ALA 44 -1.446 -1.185 2.964 345 HB1 ALA 44 3HB ALA 44 -2.398 -1.779 0.755 346 HB2 ALA 44 1HB ALA 44 -1.089 -2.848 1.261 347 HB3 ALA 44 2HB ALA 44 -2.765 -3.386 1.381 348 H ALA 45 H ALA 45 -4.341 -3.209 3.354 349 HA ALA 45 HA ALA 45 -6.168 -1.066 2.882 350 HB1 ALA 45 3HB ALA 45 -7.471 -2.840 2.576 351 HB2 ALA 45 1HB ALA 45 -6.315 -3.901 3.383 352 HB3 ALA 45 2HB ALA 45 -7.521 -3.028 4.330 353 H LYS 46 H LYS 46 -4.410 -2.189 5.625 354 HA LYS 46 HA LYS 46 -6.141 -1.045 7.609 355 HB2 LYS 46 1HB LYS 46 -3.786 -2.694 7.551 356 HB3 LYS 46 2HB LYS 46 -3.539 -1.343 8.669 357 HG2 LYS 46 1HG LYS 46 -4.742 -2.369 10.215 358 HG3 LYS 46 2HG LYS 46 -6.137 -2.390 9.121 359 HD2 LYS 46 1HD LYS 46 -5.321 -4.475 8.107 360 HD3 LYS 46 2HD LYS 46 -3.938 -4.457 9.215 361 HE2 LYS 46 1HE LYS 46 -6.815 -4.488 10.145 362 HE3 LYS 46 2HE LYS 46 -5.847 -5.949 9.896 363 HZ1 LYS 46 3HZ LYS 46 -5.103 -5.684 11.952 364 HZ2 LYS 46 1HZ LYS 46 -5.855 -4.176 12.106 365 HZ3 LYS 46 2HZ LYS 46 -4.298 -4.282 11.455 366 H LYS 47 H LYS 47 -2.925 -0.181 6.337 367 HA LYS 47 HA LYS 47 -2.779 2.287 7.724 368 HB2 LYS 47 1HB LYS 47 -1.264 0.998 5.489 369 HB3 LYS 47 2HB LYS 47 -1.028 2.727 5.795 370 HG2 LYS 47 1HG LYS 47 0.540 2.101 7.249 371 HG3 LYS 47 2HG LYS 47 -0.809 1.646 8.305 372 HD2 LYS 47 1HD LYS 47 -0.459 -0.505 6.518 373 HD3 LYS 47 2HD LYS 47 1.161 -0.029 7.058 374 HE2 LYS 47 1HE LYS 47 -1.198 -0.808 8.784 375 HE3 LYS 47 2HE LYS 47 0.331 -1.675 8.581 376 HZ1 LYS 47 3HZ LYS 47 1.050 -0.566 10.345 377 HZ2 LYS 47 1HZ LYS 47 -0.300 0.453 10.358 378 HZ3 LYS 47 2HZ LYS 47 1.045 0.844 9.410 379 H ALA 48 H ALA 48 -3.497 1.514 4.322 380 HA ALA 48 HA ALA 48 -3.924 4.064 3.361 381 HB1 ALA 48 3HB ALA 48 -5.587 1.690 2.550 382 HB2 ALA 48 1HB ALA 48 -5.135 3.087 1.573 383 HB3 ALA 48 2HB ALA 48 -3.910 1.911 2.052 384 H GLU 49 H GLU 49 -6.236 1.921 4.991 385 HA GLU 49 HA GLU 49 -8.381 3.822 4.826 386 HE2 GLU 49 HE2 GLU 49 -10.978 -0.905 5.735 387 HB2 GLU 49 1HB GLU 49 -8.517 1.239 4.995 388 HB3 GLU 49 2HB GLU 49 -8.309 1.501 6.733 389 HG2 GLU 49 1HG GLU 49 -10.325 2.725 6.903 390 HG3 GLU 49 2HG GLU 49 -10.469 2.850 5.144 391 H GLU 50 H GLU 50 -5.900 3.004 7.142 392 HA GLU 50 HA GLU 50 -7.025 4.284 9.396 393 HE2 GLU 50 HE2 GLU 50 -4.572 3.177 13.498 394 HB2 GLU 50 1HB GLU 50 -4.354 3.250 8.618 395 HB3 GLU 50 2HB GLU 50 -4.388 4.461 9.908 396 HG2 GLU 50 1HG GLU 50 -6.317 2.229 10.145 397 HG3 GLU 50 2HG GLU 50 -4.604 1.835 10.352 398 H LEU 51 H LEU 51 -4.587 5.386 7.046 399 HA LEU 51 HA LEU 51 -4.403 8.008 8.129 400 HG LEU 51 HG LEU 51 -4.394 6.167 4.957 401 HB2 LEU 51 1HB LEU 51 -3.113 8.552 6.157 402 HB3 LEU 51 2HB LEU 51 -2.615 6.980 6.809 403 HD11 LEU 51 1HD1 LEU 51 -4.077 8.893 4.384 404 HD12 LEU 51 2HD1 LEU 51 -4.860 7.663 3.390 405 HD13 LEU 51 3HD1 LEU 51 -3.148 8.022 3.163 406 HD21 LEU 51 3HD2 LEU 51 -2.121 6.326 3.460 407 HD22 LEU 51 1HD2 LEU 51 -2.457 5.081 4.663 408 HD23 LEU 51 2HD2 LEU 51 -1.488 6.489 5.099 409 H PHE 52 H PHE 52 -6.231 6.580 5.465 410 HA PHE 52 HA PHE 52 -7.306 9.029 4.510 411 HD1 PHE 52 HD1 PHE 52 -8.606 9.491 2.527 412 HD2 PHE 52 HD2 PHE 52 -10.337 5.744 3.564 413 HE1 PHE 52 HE1 PHE 52 -10.712 10.170 1.449 414 HE2 PHE 52 HE2 PHE 52 -12.444 6.415 2.487 415 HZ PHE 52 HZ PHE 52 -12.634 8.631 1.428 416 HB2 PHE 52 1HB PHE 52 -7.254 7.152 3.024 417 HB3 PHE 52 2HB PHE 52 -8.170 6.159 4.158 418 H LYS 53 H LYS 53 -8.114 6.922 7.115 419 HA LYS 53 HA LYS 53 -10.841 7.578 7.423 420 HB2 LYS 53 1HB LYS 53 -10.059 5.662 8.565 421 HB3 LYS 53 2HB LYS 53 -8.745 6.565 9.334 422 HG2 LYS 53 1HG LYS 53 -11.450 7.541 9.960 423 HG3 LYS 53 2HG LYS 53 -11.067 5.914 10.551 424 HD2 LYS 53 1HD LYS 53 -9.751 6.714 12.166 425 HD3 LYS 53 2HD LYS 53 -8.869 7.732 11.014 426 HE2 LYS 53 1HE LYS 53 -9.894 9.133 12.705 427 HE3 LYS 53 2HE LYS 53 -10.677 9.406 11.143 428 HZ1 LYS 53 3HZ LYS 53 -12.355 9.242 12.805 429 HZ2 LYS 53 1HZ LYS 53 -11.726 7.788 13.397 430 HZ3 LYS 53 2HZ LYS 53 -12.439 7.838 11.864 431 H LEU 54 H LEU 54 -8.018 8.769 9.257 432 HA LEU 54 HA LEU 54 -9.522 10.897 10.442 433 HG LEU 54 HG LEU 54 -8.877 10.831 12.467 434 HB2 LEU 54 1HB LEU 54 -6.960 9.677 10.786 435 HB3 LEU 54 2HB LEU 54 -6.744 11.427 10.609 436 HD11 LEU 54 1HD1 LEU 54 -6.207 9.924 13.449 437 HD12 LEU 54 2HD1 LEU 54 -7.284 8.786 12.641 438 HD13 LEU 54 3HD1 LEU 54 -7.812 9.609 14.107 439 HD21 LEU 54 3HD2 LEU 54 -7.737 12.980 12.280 440 HD22 LEU 54 1HD2 LEU 54 -6.217 12.224 12.757 441 HD23 LEU 54 2HD2 LEU 54 -7.556 12.306 13.902 442 H ALA 55 H ALA 55 -7.689 10.498 7.548 443 HA ALA 55 HA ALA 55 -6.878 13.101 7.001 444 HB1 ALA 55 3HB ALA 55 -7.731 10.877 5.163 445 HB2 ALA 55 1HB ALA 55 -7.073 12.407 4.584 446 HB3 ALA 55 2HB ALA 55 -6.092 11.356 5.607 447 H GLU 56 H GLU 56 -10.020 11.566 6.575 448 HA GLU 56 HA GLU 56 -11.299 13.435 4.988 449 HE2 GLU 56 HE2 GLU 56 -14.482 8.576 6.346 450 HB2 GLU 56 1HB GLU 56 -12.635 12.094 7.338 451 HB3 GLU 56 2HB GLU 56 -13.353 12.562 5.790 452 HG2 GLU 56 1HG GLU 56 -11.760 10.872 4.724 453 HG3 GLU 56 2HG GLU 56 -11.506 10.275 6.371 454 H GLU 57 H GLU 57 -10.512 13.578 8.396 455 HA GLU 57 HA GLU 57 -12.169 15.704 9.155 456 HE2 GLU 57 HE2 GLU 57 -8.523 18.521 12.079 457 HB2 GLU 57 1HB GLU 57 -10.886 14.239 10.711 458 HB3 GLU 57 2HB GLU 57 -9.410 15.083 10.220 459 HG2 GLU 57 1HG GLU 57 -11.392 16.999 11.013 460 HG3 GLU 57 2HG GLU 57 -11.188 15.775 12.275 461 H ARG 58 H ARG 58 -8.788 15.744 8.041 462 HA ARG 58 HA ARG 58 -8.706 18.616 7.966 463 HE ARG 58 HE ARG 58 -5.292 14.829 6.762 464 HB2 ARG 58 1HB ARG 58 -6.746 16.747 6.636 465 HB3 ARG 58 2HB ARG 58 -6.462 18.387 7.240 466 HG2 ARG 58 1HG ARG 58 -5.658 17.484 9.100 467 HG3 ARG 58 2HG ARG 58 -7.310 16.958 9.469 468 HD2 ARG 58 1HD ARG 58 -5.693 15.095 9.571 469 HD3 ARG 58 2HD ARG 58 -6.937 14.852 8.337 470 HH11 ARG 58 1HH1 ARG 58 -4.083 16.436 9.604 471 HH12 ARG 58 2HH1 ARG 58 -2.473 16.600 8.986 472 HH21 ARG 58 1HH2 ARG 58 -3.175 15.040 5.937 473 HH22 ARG 58 2HH2 ARG 58 -1.957 15.807 6.899 474 H LEU 59 H LEU 59 -9.613 16.102 5.801 475 HA LEU 59 HA LEU 59 -9.284 17.682 3.406 476 HG LEU 59 HG LEU 59 -8.054 15.121 4.003 477 HB2 LEU 59 1HB LEU 59 -10.615 15.018 3.911 478 HB3 LEU 59 2HB LEU 59 -10.454 15.773 2.317 479 HD11 LEU 59 1HD1 LEU 59 -7.919 13.091 2.437 480 HD12 LEU 59 2HD1 LEU 59 -9.651 13.332 2.207 481 HD13 LEU 59 3HD1 LEU 59 -9.013 13.008 3.819 482 HD21 LEU 59 3HD2 LEU 59 -7.595 14.856 1.243 483 HD22 LEU 59 1HD2 LEU 59 -6.999 16.117 2.324 484 HD23 LEU 59 2HD2 LEU 59 -8.516 16.346 1.454 485 H LYS 60 H LYS 60 -12.196 15.962 4.486 486 HA LYS 60 HA LYS 60 -13.787 18.276 3.633 487 HB2 LYS 60 1HB LYS 60 -15.707 16.622 3.745 488 HB3 LYS 60 2HB LYS 60 -14.485 16.317 2.499 489 HG2 LYS 60 1HG LYS 60 -13.764 14.954 4.926 490 HG3 LYS 60 2HG LYS 60 -15.421 14.541 4.448 491 HD2 LYS 60 1HD LYS 60 -13.028 14.422 2.602 492 HD3 LYS 60 2HD LYS 60 -13.701 13.034 3.475 493 HE2 LYS 60 1HE LYS 60 -15.804 13.230 2.309 494 HE3 LYS 60 2HE LYS 60 -15.276 14.741 1.552 495 HZ1 LYS 60 3HZ LYS 60 -14.739 12.035 0.776 496 HZ2 LYS 60 1HZ LYS 60 -13.333 12.974 0.857 497 HZ3 LYS 60 2HZ LYS 60 -14.619 13.461 -0.127 498 H LYS 61 H LYS 61 -16.071 18.082 4.950 499 HA LYS 61 HA LYS 61 -15.286 18.524 7.744 500 HB2 LYS 61 1HB LYS 61 -16.504 20.276 6.231 501 HB3 LYS 61 2HB LYS 61 -17.945 19.318 6.608 502 HG2 LYS 61 1HG LYS 61 -17.216 19.609 9.076 503 HG3 LYS 61 2HG LYS 61 -16.227 20.938 8.441 504 HD2 LYS 61 1HD LYS 61 -17.999 22.283 8.327 505 HD3 LYS 61 2HD LYS 61 -18.876 21.096 7.345 506 HE2 LYS 61 1HE LYS 61 -19.306 19.872 9.585 507 HE3 LYS 61 2HE LYS 61 -18.837 21.409 10.328 508 HZ1 LYS 61 3HZ LYS 61 -20.579 22.475 8.915 509 HZ2 LYS 61 1HZ LYS 61 -21.177 21.420 10.094 510 HZ3 LYS 61 2HZ LYS 61 -21.103 20.928 8.477 511 H LEU 62 H LEU 62 -17.286 16.562 5.698 512 HA LEU 62 HA LEU 62 -18.582 14.736 6.094 513 HG LEU 62 HG LEU 62 -15.795 14.541 6.525 514 HB2 LEU 62 1HB LEU 62 -17.263 14.698 8.812 515 HB3 LEU 62 2HB LEU 62 -18.054 13.347 7.983 516 HD11 LEU 62 1HD1 LEU 62 -14.624 14.724 8.489 517 HD12 LEU 62 2HD1 LEU 62 -14.271 13.054 8.046 518 HD13 LEU 62 3HD1 LEU 62 -15.497 13.402 9.264 519 HD21 LEU 62 3HD2 LEU 62 -17.063 11.913 6.977 520 HD22 LEU 62 1HD2 LEU 62 -15.325 11.904 6.678 521 HD23 LEU 62 2HD2 LEU 62 -16.418 12.628 5.498 522 HA MET 1 HA MET 1 13.996 -19.111 -9.096 523 H1 MET 1 1H MET 1 13.278 -21.549 -8.695 524 HB2 MET 1 1HB MET 1 14.057 -20.406 -11.774 525 HB3 MET 1 2HB MET 1 13.431 -18.752 -11.690 526 HG2 MET 1 1HG MET 1 15.459 -17.869 -11.421 527 HG3 MET 1 2HG MET 1 15.901 -19.070 -10.205 528 HE1 MET 1 3HE MET 1 18.122 -17.976 -12.549 529 HE2 MET 1 1HE MET 1 17.738 -18.655 -14.132 530 HE3 MET 1 2HE MET 1 16.593 -17.578 -13.334 531 H LYS 2 H LYS 2 11.630 -21.347 -10.414 532 HA LYS 2 HA LYS 2 9.356 -21.317 -10.459 533 HB2 LYS 2 1HB LYS 2 10.113 -19.836 -8.119 534 HB3 LYS 2 2HB LYS 2 8.669 -19.101 -8.836 535 HG2 LYS 2 1HG LYS 2 7.775 -20.643 -7.362 536 HG3 LYS 2 2HG LYS 2 7.749 -21.509 -8.908 537 HD2 LYS 2 1HD LYS 2 10.211 -21.796 -7.277 538 HD3 LYS 2 2HD LYS 2 8.743 -22.565 -6.649 539 HE2 LYS 2 1HE LYS 2 8.437 -23.730 -8.805 540 HE3 LYS 2 2HE LYS 2 9.932 -22.987 -9.390 541 HZ1 LYS 2 3HZ LYS 2 11.111 -24.569 -8.416 542 HZ2 LYS 2 1HZ LYS 2 9.676 -25.355 -7.983 543 HZ3 LYS 2 2HZ LYS 2 10.399 -24.264 -6.912 544 H LYS 3 H LYS 3 7.469 -20.034 -11.169 545 HA LYS 3 HA LYS 3 8.140 -17.507 -12.482 546 HB2 LYS 3 1HB LYS 3 8.543 -19.077 -14.236 547 HB3 LYS 3 2HB LYS 3 7.048 -19.955 -13.872 548 HG2 LYS 3 1HG LYS 3 5.742 -18.510 -15.015 549 HG3 LYS 3 2HG LYS 3 6.734 -17.108 -14.574 550 HD2 LYS 3 1HD LYS 3 7.254 -17.228 -16.795 551 HD3 LYS 3 2HD LYS 3 8.493 -18.317 -16.149 552 HE2 LYS 3 1HE LYS 3 7.027 -20.250 -16.612 553 HE3 LYS 3 2HE LYS 3 5.827 -19.145 -17.295 554 HZ1 LYS 3 3HZ LYS 3 6.905 -19.107 -19.218 555 HZ2 LYS 3 1HZ LYS 3 7.892 -20.353 -18.640 556 HZ3 LYS 3 2HZ LYS 3 8.382 -18.742 -18.479 557 H LEU 4 H LEU 4 5.638 -19.871 -11.655 558 HA LEU 4 HA LEU 4 3.457 -18.081 -12.044 559 HG LEU 4 HG LEU 4 1.941 -21.419 -12.256 560 HB2 LEU 4 1HB LEU 4 3.859 -20.803 -10.954 561 HB3 LEU 4 2HB LEU 4 2.446 -19.918 -10.354 562 HD11 LEU 4 1HD1 LEU 4 0.426 -19.980 -13.225 563 HD12 LEU 4 2HD1 LEU 4 1.546 -18.618 -13.212 564 HD13 LEU 4 3HD1 LEU 4 0.791 -19.152 -11.711 565 HD21 LEU 4 3HD2 LEU 4 2.949 -21.296 -14.279 566 HD22 LEU 4 1HD2 LEU 4 4.281 -20.659 -13.314 567 HD23 LEU 4 2HD2 LEU 4 3.206 -19.554 -14.171 568 H ARG 5 H ARG 5 5.519 -18.899 -9.334 569 HA ARG 5 HA ARG 5 3.922 -17.637 -7.339 570 HE ARG 5 HE ARG 5 5.374 -22.069 -4.476 571 HB2 ARG 5 1HB ARG 5 6.858 -18.374 -7.372 572 HB3 ARG 5 2HB ARG 5 5.980 -17.805 -5.944 573 HG2 ARG 5 1HG ARG 5 4.381 -19.798 -6.438 574 HG3 ARG 5 2HG ARG 5 5.751 -20.410 -7.380 575 HD2 ARG 5 1HD ARG 5 6.995 -20.865 -5.545 576 HD3 ARG 5 2HD ARG 5 6.423 -19.426 -4.690 577 HH11 ARG 5 1HH1 ARG 5 4.519 -18.697 -4.336 578 HH12 ARG 5 2HH1 ARG 5 3.156 -18.952 -3.296 579 HH21 ARG 5 1HH2 ARG 5 3.584 -22.417 -3.108 580 HH22 ARG 5 2HH2 ARG 5 2.626 -21.069 -2.597 581 H GLU 6 H GLU 6 6.671 -16.622 -9.316 582 HA GLU 6 HA GLU 6 7.270 -14.203 -8.116 583 HE2 GLU 6 HE2 GLU 6 10.997 -12.937 -12.352 584 HB2 GLU 6 1HB GLU 6 8.148 -15.531 -10.326 585 HB3 GLU 6 2HB GLU 6 7.301 -14.162 -11.062 586 HG2 GLU 6 1HG GLU 6 8.663 -12.584 -9.876 587 HG3 GLU 6 2HG GLU 6 9.422 -13.886 -8.949 588 H GLU 7 H GLU 7 4.539 -15.080 -10.063 589 HA GLU 7 HA GLU 7 3.680 -12.611 -10.992 590 HE2 GLU 7 HE2 GLU 7 -0.059 -16.673 -12.411 591 HB2 GLU 7 1HB GLU 7 2.024 -14.953 -10.021 592 HB3 GLU 7 2HB GLU 7 1.397 -13.593 -10.965 593 HG2 GLU 7 1HG GLU 7 3.025 -14.190 -12.772 594 HG3 GLU 7 2HG GLU 7 3.404 -15.650 -11.846 595 H ALA 8 H ALA 8 3.595 -13.939 -7.782 596 HA ALA 8 HA ALA 8 1.687 -12.076 -6.734 597 HB1 ALA 8 3HB ALA 8 3.231 -13.061 -4.615 598 HB2 ALA 8 1HB ALA 8 1.650 -13.630 -5.150 599 HB3 ALA 8 2HB ALA 8 3.117 -14.377 -5.784 600 H ALA 9 H ALA 9 5.120 -12.103 -7.233 601 HA ALA 9 HA ALA 9 5.701 -9.966 -5.406 602 HB1 ALA 9 3HB ALA 9 7.194 -11.802 -6.993 603 HB2 ALA 9 1HB ALA 9 7.741 -10.164 -7.353 604 HB3 ALA 9 2HB ALA 9 7.755 -10.754 -5.691 605 H LYS 10 H LYS 10 4.699 -10.226 -8.714 606 HA LYS 10 HA LYS 10 5.558 -7.674 -9.602 607 HB2 LYS 10 1HB LYS 10 3.175 -9.211 -10.643 608 HB3 LYS 10 2HB LYS 10 4.179 -8.044 -11.516 609 HG2 LYS 10 1HG LYS 10 6.094 -9.773 -10.961 610 HG3 LYS 10 2HG LYS 10 4.720 -10.888 -10.858 611 HD2 LYS 10 1HD LYS 10 5.401 -11.035 -13.096 612 HD3 LYS 10 2HD LYS 10 4.010 -9.936 -13.130 613 HE2 LYS 10 1HE LYS 10 5.417 -8.010 -13.301 614 HE3 LYS 10 2HE LYS 10 6.860 -8.979 -12.967 615 HZ1 LYS 10 3HZ LYS 10 5.372 -8.672 -15.444 616 HZ2 LYS 10 1HZ LYS 10 5.942 -10.231 -15.118 617 HZ3 LYS 10 2HZ LYS 10 7.025 -8.935 -15.199 618 H LEU 11 H LEU 11 2.353 -8.844 -8.565 619 HA LEU 11 HA LEU 11 1.002 -6.419 -8.707 620 HG LEU 11 HG LEU 11 1.630 -9.485 -6.905 621 HB2 LEU 11 1HB LEU 11 -0.492 -7.422 -6.918 622 HB3 LEU 11 2HB LEU 11 -0.293 -8.347 -8.416 623 HD11 LEU 11 1HD1 LEU 11 1.245 -9.480 -4.681 624 HD12 LEU 11 2HD1 LEU 11 -0.501 -9.322 -4.870 625 HD13 LEU 11 3HD1 LEU 11 0.535 -7.905 -5.038 626 HD21 LEU 11 3HD2 LEU 11 -1.291 -10.138 -7.174 627 HD22 LEU 11 1HD2 LEU 11 -0.154 -11.219 -6.367 628 HD23 LEU 11 2HD2 LEU 11 0.075 -10.809 -8.067 629 H PHE 12 H PHE 12 2.823 -7.828 -6.012 630 HA PHE 12 HA PHE 12 2.268 -5.751 -4.170 631 HD1 PHE 12 HD2 PHE 12 1.363 -6.567 -2.686 632 HD2 PHE 12 HD1 PHE 12 4.005 -9.860 -3.223 633 HE1 PHE 12 HE2 PHE 12 -0.241 -8.037 -1.534 634 HE2 PHE 12 HE1 PHE 12 2.407 -11.335 -2.074 635 HZ PHE 12 HZ PHE 12 0.282 -10.424 -1.227 636 HB2 PHE 12 1HB PHE 12 4.457 -7.831 -4.312 637 HB3 PHE 12 2HB PHE 12 4.328 -6.678 -2.983 638 H GLU 13 H GLU 13 4.405 -5.987 -6.839 639 HA GLU 13 HA GLU 13 6.441 -4.222 -6.049 640 HE2 GLU 13 HE2 GLU 13 10.028 -6.319 -7.391 641 HB2 GLU 13 1HB GLU 13 6.043 -5.765 -8.215 642 HB3 GLU 13 2HB GLU 13 5.597 -4.190 -8.890 643 HG2 GLU 13 1HG GLU 13 7.762 -3.920 -9.315 644 HG3 GLU 13 2HG GLU 13 7.934 -3.629 -7.578 645 H GLU 14 H GLU 14 3.182 -3.675 -7.086 646 HA GLU 14 HA GLU 14 3.503 -0.942 -7.835 647 HE2 GLU 14 HE2 GLU 14 -1.201 -3.045 -10.616 648 HB2 GLU 14 1HB GLU 14 0.942 -2.228 -6.887 649 HB3 GLU 14 2HB GLU 14 1.134 -0.861 -7.995 650 HG2 GLU 14 1HG GLU 14 2.451 -2.686 -9.414 651 HG3 GLU 14 2HG GLU 14 1.384 -3.766 -8.505 652 H TRP 15 H TRP 15 2.752 -2.620 -4.849 653 HA TRP 15 HA TRP 15 1.908 -0.361 -3.370 654 HD1 TRP 15 HD1 TRP 15 1.131 0.303 -1.622 655 HE1 TRP 15 HE1 TRP 15 0.444 0.446 0.855 656 HE3 TRP 15 HE3 TRP 15 2.655 -4.329 -0.087 657 HZ2 TRP 15 HZ2 TRP 15 0.537 -1.188 3.155 658 HZ3 TRP 15 HZ3 TRP 15 2.321 -4.961 2.267 659 HH2 TRP 15 HH2 TRP 15 1.283 -3.422 3.852 660 HB2 TRP 15 1HB TRP 15 1.620 -2.868 -2.825 661 HB3 TRP 15 2HB TRP 15 3.251 -2.769 -2.159 662 H LYS 16 H LYS 16 5.055 -1.939 -3.762 663 HA LYS 16 HA LYS 16 6.393 -0.115 -1.991 664 HB2 LYS 16 1HB LYS 16 7.020 -2.567 -2.637 665 HB3 LYS 16 2HB LYS 16 7.815 -1.802 -4.022 666 HG2 LYS 16 1HG LYS 16 8.637 -0.335 -1.776 667 HG3 LYS 16 2HG LYS 16 8.722 -2.044 -1.313 668 HD2 LYS 16 1HD LYS 16 10.838 -1.476 -2.252 669 HD3 LYS 16 2HD LYS 16 9.981 -2.464 -3.449 670 HE2 LYS 16 1HE LYS 16 9.318 -0.451 -4.673 671 HE3 LYS 16 2HE LYS 16 10.129 0.550 -3.460 672 HZ1 LYS 16 3HZ LYS 16 11.651 -1.523 -4.891 673 HZ2 LYS 16 1HZ LYS 16 12.204 -0.090 -4.181 674 HZ3 LYS 16 2HZ LYS 16 11.349 -0.037 -5.640 675 H LYS 17 H LYS 17 5.765 -0.316 -5.416 676 HA LYS 17 HA LYS 17 7.689 1.665 -6.177 677 HB2 LYS 17 1HB LYS 17 5.420 0.254 -7.541 678 HB3 LYS 17 2HB LYS 17 6.154 1.675 -8.302 679 HG2 LYS 17 1HG LYS 17 8.125 -0.270 -7.374 680 HG3 LYS 17 2HG LYS 17 7.003 -0.915 -8.586 681 HD2 LYS 17 1HD LYS 17 8.274 1.764 -9.024 682 HD3 LYS 17 2HD LYS 17 9.199 0.285 -9.341 683 HE2 LYS 17 1HE LYS 17 8.030 -0.206 -11.203 684 HE3 LYS 17 2HE LYS 17 6.492 0.260 -10.460 685 HZ1 LYS 17 3HZ LYS 17 8.134 1.741 -12.233 686 HZ2 LYS 17 1HZ LYS 17 7.899 2.608 -10.799 687 HZ3 LYS 17 2HZ LYS 17 6.566 2.080 -11.697 688 H LEU 18 H LEU 18 4.119 1.694 -6.096 689 HA LEU 18 HA LEU 18 3.756 4.392 -6.615 690 HG LEU 18 HG LEU 18 2.165 1.854 -7.301 691 HB2 LEU 18 1HB LEU 18 2.113 2.497 -4.933 692 HB3 LEU 18 2HB LEU 18 1.584 4.123 -5.397 693 HD11 LEU 18 1HD1 LEU 18 0.148 1.193 -6.534 694 HD12 LEU 18 2HD1 LEU 18 -0.429 2.431 -7.648 695 HD13 LEU 18 3HD1 LEU 18 -0.272 2.795 -5.930 696 HD21 LEU 18 3HD2 LEU 18 0.970 3.464 -8.892 697 HD22 LEU 18 1HD2 LEU 18 2.648 3.814 -8.480 698 HD23 LEU 18 2HD2 LEU 18 1.344 4.713 -7.704 699 H ALA 19 H ALA 19 4.610 2.778 -3.635 700 HA ALA 19 HA ALA 19 4.082 4.919 -1.865 701 HB1 ALA 19 3HB ALA 19 4.333 2.712 -0.984 702 HB2 ALA 19 1HB ALA 19 5.965 2.578 -1.641 703 HB3 ALA 19 2HB ALA 19 5.633 3.708 -0.329 704 H GLU 20 H GLU 20 6.731 4.201 -4.003 705 HA GLU 20 HA GLU 20 8.617 5.966 -2.781 706 HE2 GLU 20 HE2 GLU 20 12.468 3.064 -5.091 707 HB2 GLU 20 1HB GLU 20 8.574 4.927 -5.624 708 HB3 GLU 20 2HB GLU 20 9.966 5.599 -4.763 709 HG2 GLU 20 1HG GLU 20 9.026 3.508 -3.151 710 HG3 GLU 20 2HG GLU 20 8.984 2.905 -4.815 711 H GLU 21 H GLU 21 6.545 6.193 -5.664 712 HA GLU 21 HA GLU 21 7.291 8.888 -6.234 713 HE2 GLU 21 HE2 GLU 21 7.695 9.359 -10.249 714 HB2 GLU 21 1HB GLU 21 4.838 7.389 -7.178 715 HB3 GLU 21 2HB GLU 21 5.557 8.827 -7.919 716 HG2 GLU 21 1HG GLU 21 7.501 6.701 -7.694 717 HG3 GLU 21 2HG GLU 21 6.058 6.171 -8.570 718 H ALA 22 H ALA 22 4.344 7.410 -4.889 719 HA ALA 22 HA ALA 22 2.901 9.739 -4.430 720 HB1 ALA 22 3HB ALA 22 1.525 8.471 -2.981 721 HB2 ALA 22 1HB ALA 22 2.088 7.360 -4.229 722 HB3 ALA 22 2HB ALA 22 2.825 7.333 -2.626 723 H ALA 23 H ALA 23 5.663 8.496 -2.787 724 HA ALA 23 HA ALA 23 5.266 9.926 -0.332 725 HB1 ALA 23 3HB ALA 23 7.883 9.391 -0.267 726 HB2 ALA 23 1HB ALA 23 6.649 8.184 0.100 727 HB3 ALA 23 2HB ALA 23 7.390 8.231 -1.500 728 H LYS 24 H LYS 24 7.519 10.339 -3.067 729 HA LYS 24 HA LYS 24 8.534 12.824 -2.168 730 HB2 LYS 24 1HB LYS 24 9.735 12.917 -4.170 731 HB3 LYS 24 2HB LYS 24 9.543 11.181 -3.877 732 HG2 LYS 24 1HG LYS 24 8.959 11.199 -6.062 733 HG3 LYS 24 2HG LYS 24 7.372 11.576 -5.368 734 HD2 LYS 24 1HD LYS 24 7.388 13.357 -6.734 735 HD3 LYS 24 2HD LYS 24 8.520 14.056 -5.563 736 HE2 LYS 24 1HE LYS 24 9.758 14.320 -7.471 737 HE3 LYS 24 2HE LYS 24 10.287 12.702 -6.988 738 HZ1 LYS 24 3HZ LYS 24 9.707 12.824 -9.345 739 HZ2 LYS 24 1HZ LYS 24 8.123 13.263 -8.943 740 HZ3 LYS 24 2HZ LYS 24 8.711 11.736 -8.518 741 H LEU 25 H LEU 25 5.768 11.921 -4.089 742 HA LEU 25 HA LEU 25 5.264 14.567 -5.085 743 HG LEU 25 HG LEU 25 5.114 12.971 -7.289 744 HB2 LEU 25 1HB LEU 25 4.106 11.901 -5.357 745 HB3 LEU 25 2HB LEU 25 2.886 13.182 -5.267 746 HD11 LEU 25 1HD1 LEU 25 3.537 12.314 -8.834 747 HD12 LEU 25 2HD1 LEU 25 2.192 12.964 -7.898 748 HD13 LEU 25 3HD1 LEU 25 2.988 11.476 -7.383 749 HD21 LEU 25 3HD2 LEU 25 3.061 14.902 -7.876 750 HD22 LEU 25 1HD2 LEU 25 4.812 15.107 -7.813 751 HD23 LEU 25 2HD2 LEU 25 3.851 15.274 -6.343 752 H LEU 26 H LEU 26 3.974 12.541 -2.486 753 HA LEU 26 HA LEU 26 1.858 14.078 -1.628 754 HG LEU 26 HG LEU 26 1.379 11.584 -1.287 755 HB2 LEU 26 1HB LEU 26 3.699 12.138 -0.387 756 HB3 LEU 26 2HB LEU 26 2.874 13.230 0.739 757 HD11 LEU 26 1HD1 LEU 26 1.027 9.901 0.367 758 HD12 LEU 26 2HD1 LEU 26 1.904 10.833 1.581 759 HD13 LEU 26 3HD1 LEU 26 2.766 10.144 0.206 760 HD21 LEU 26 3HD2 LEU 26 0.665 13.193 1.137 761 HD22 LEU 26 1HD2 LEU 26 -0.381 11.891 0.571 762 HD23 LEU 26 2HD2 LEU 26 -0.023 13.257 -0.486 763 H GLU 27 H GLU 27 5.259 14.359 -0.612 764 HA GLU 27 HA GLU 27 4.662 16.844 0.785 765 HE2 GLU 27 HE2 GLU 27 8.873 13.640 3.449 766 HB2 GLU 27 1HB GLU 27 7.376 15.565 0.456 767 HB3 GLU 27 2HB GLU 27 6.845 16.702 1.706 768 HG2 GLU 27 1HG GLU 27 5.242 14.931 2.503 769 HG3 GLU 27 2HG GLU 27 6.066 13.817 1.401 770 H GLY 28 H GLY 28 4.862 16.280 -2.293 771 HA2 GLY 28 1HA GLY 28 6.988 17.773 -3.336 772 HA3 GLY 28 2HA GLY 28 5.452 17.498 -4.145 773 H GLY 29 H GLY 29 4.285 18.842 -1.567 774 HA2 GLY 29 1HA GLY 29 4.726 21.287 -0.926 775 HA3 GLY 29 2HA GLY 29 4.552 21.568 -2.651 776 H GLY 30 H GLY 30 2.709 19.471 -0.446 777 HA2 GLY 30 1HA GLY 30 0.520 20.830 0.201 778 HA3 GLY 30 2HA GLY 30 0.243 20.598 -1.519 779 H GLY 31 H GLY 31 0.503 19.019 1.592 780 HA2 GLY 31 1HA GLY 31 -1.416 17.221 1.527 781 HA3 GLY 31 2HA GLY 31 -0.283 16.453 0.426 782 H GLY 32 H GLY 32 0.430 18.288 3.372 783 HA2 GLY 32 1HA GLY 32 0.981 15.905 4.899 784 HA3 GLY 32 2HA GLY 32 2.431 16.742 4.365 785 H GLY 33 H GLY 33 2.181 16.499 6.993 786 HA2 GLY 33 1HA GLY 33 1.934 19.239 7.856 787 HA3 GLY 33 2HA GLY 33 0.705 18.182 8.533 788 H GLY 34 H GLY 34 4.179 17.718 7.877 789 HA2 GLY 34 1HA GLY 34 5.610 17.970 9.968 790 HA3 GLY 34 2HA GLY 34 4.460 16.851 10.684 791 H GLY 35 H GLY 35 5.612 15.042 11.018 792 HA2 GLY 35 1HA GLY 35 6.922 13.852 8.656 793 HA3 GLY 35 2HA GLY 35 7.702 13.841 10.231 794 H GLU 36 H GLU 36 6.176 12.914 12.016 795 HA GLU 36 HA GLU 36 5.836 10.211 11.551 796 HE2 GLU 36 HE2 GLU 36 4.576 10.434 17.019 797 HB2 GLU 36 1HB GLU 36 5.989 11.009 13.796 798 HB3 GLU 36 2HB GLU 36 4.549 12.018 13.596 799 HG2 GLU 36 1HG GLU 36 3.093 10.210 13.691 800 HG3 GLU 36 2HG GLU 36 4.371 9.049 13.305 801 H LEU 37 H LEU 37 3.546 12.845 11.143 802 HA LEU 37 HA LEU 37 1.191 11.384 10.848 803 HG LEU 37 HG LEU 37 -0.065 12.717 8.562 804 HB2 LEU 37 1HB LEU 37 1.169 13.786 11.061 805 HB3 LEU 37 2HB LEU 37 2.060 13.955 9.538 806 HD11 LEU 37 1HD1 LEU 37 -1.100 14.056 11.056 807 HD12 LEU 37 2HD1 LEU 37 -1.183 12.340 10.660 808 HD13 LEU 37 3HD1 LEU 37 -2.104 13.507 9.714 809 HD21 LEU 37 3HD2 LEU 37 -0.694 15.520 9.151 810 HD22 LEU 37 1HD2 LEU 37 -0.504 14.698 7.603 811 HD23 LEU 37 2HD2 LEU 37 0.917 15.250 8.488 812 H MET 38 H MET 38 3.554 12.376 8.382 813 HA MET 38 HA MET 38 2.187 11.113 6.231 814 HB2 MET 38 1HB MET 38 3.865 13.002 6.058 815 HB3 MET 38 2HB MET 38 5.127 11.791 6.338 816 HG2 MET 38 1HG MET 38 5.184 11.678 4.097 817 HG3 MET 38 2HG MET 38 3.790 10.618 4.320 818 HE1 MET 38 3HE MET 38 1.523 11.229 4.347 819 HE2 MET 38 1HE MET 38 1.159 12.895 4.795 820 HE3 MET 38 2HE MET 38 0.818 12.328 3.160 821 H LYS 39 H LYS 39 4.459 10.040 8.619 822 HA LYS 39 HA LYS 39 5.599 7.830 7.400 823 HB2 LYS 39 1HB LYS 39 5.604 8.918 9.933 824 HB3 LYS 39 2HB LYS 39 4.823 7.348 10.183 825 HG2 LYS 39 1HG LYS 39 6.705 6.173 9.297 826 HG3 LYS 39 2HG LYS 39 7.461 7.689 8.777 827 HD2 LYS 39 1HD LYS 39 7.166 8.245 11.384 828 HD3 LYS 39 2HD LYS 39 7.290 6.480 11.477 829 HE2 LYS 39 1HE LYS 39 9.513 7.045 11.625 830 HE3 LYS 39 2HE LYS 39 9.339 6.858 9.874 831 HZ1 LYS 39 3HZ LYS 39 8.896 9.498 11.091 832 HZ2 LYS 39 1HZ LYS 39 9.417 9.113 9.528 833 HZ3 LYS 39 2HZ LYS 39 10.477 8.956 10.837 834 H LEU 40 H LEU 40 2.361 8.291 8.571 835 HA LEU 40 HA LEU 40 1.498 5.684 8.929 836 HG LEU 40 HG LEU 40 0.016 6.996 10.606 837 HB2 LEU 40 1HB LEU 40 0.304 8.277 8.520 838 HB3 LEU 40 2HB LEU 40 -0.606 7.028 7.652 839 HD11 LEU 40 1HD1 LEU 40 -2.741 7.102 10.140 840 HD12 LEU 40 2HD1 LEU 40 -2.029 8.331 9.096 841 HD13 LEU 40 3HD1 LEU 40 -1.716 8.360 10.831 842 HD21 LEU 40 3HD2 LEU 40 -1.311 5.057 10.753 843 HD22 LEU 40 1HD2 LEU 40 -0.221 4.778 9.394 844 HD23 LEU 40 2HD2 LEU 40 -1.899 5.235 9.100 845 H CYS 41 H CYS 41 1.094 7.608 5.949 846 HA CYS 41 HA CYS 41 0.363 5.350 4.383 847 HG CYS 41 HG CYS 41 2.877 8.176 2.731 848 HB2 CYS 41 1HB CYS 41 0.452 6.834 2.487 849 HB3 CYS 41 2HB CYS 41 -0.319 7.673 3.843 850 H GLU 42 H GLU 42 3.384 6.874 5.184 851 HA GLU 42 HA GLU 42 4.984 5.913 3.097 852 HE2 GLU 42 HE2 GLU 42 9.111 8.975 5.328 853 HB2 GLU 42 1HB GLU 42 5.575 7.631 4.886 854 HB3 GLU 42 2HB GLU 42 5.922 6.253 5.940 855 HG2 GLU 42 1HG GLU 42 7.606 5.450 4.348 856 HG3 GLU 42 2HG GLU 42 7.270 6.846 3.315 857 H GLU 43 H GLU 43 3.644 4.329 5.866 858 HA GLU 43 HA GLU 43 5.378 2.190 6.210 859 HE2 GLU 43 HE2 GLU 43 5.196 1.524 10.574 860 HB2 GLU 43 1HB GLU 43 2.358 2.217 6.440 861 HB3 GLU 43 2HB GLU 43 3.421 0.964 7.099 862 HG2 GLU 43 1HG GLU 43 4.270 3.568 7.993 863 HG3 GLU 43 2HG GLU 43 2.561 3.297 8.362 864 H ALA 44 H ALA 44 3.140 2.843 3.651 865 HA ALA 44 HA ALA 44 2.625 0.340 2.609 866 HB1 ALA 44 3HB ALA 44 2.488 1.492 0.393 867 HB2 ALA 44 1HB ALA 44 1.552 2.255 1.679 868 HB3 ALA 44 2HB ALA 44 3.096 2.948 1.180 869 H ALA 45 H ALA 45 5.438 2.423 1.982 870 HA ALA 45 HA ALA 45 6.708 0.558 0.238 871 HB1 ALA 45 3HB ALA 45 7.787 2.439 -0.249 872 HB2 ALA 45 1HB ALA 45 7.218 3.218 1.228 873 HB3 ALA 45 2HB ALA 45 8.686 2.240 1.255 874 H LYS 46 H LYS 46 6.550 0.937 3.660 875 HA LYS 46 HA LYS 46 8.963 -0.491 4.263 876 HB2 LYS 46 1HB LYS 46 6.943 0.956 5.708 877 HB3 LYS 46 2HB LYS 46 7.199 -0.623 6.467 878 HG2 LYS 46 1HG LYS 46 9.039 0.119 7.446 879 HG3 LYS 46 2HG LYS 46 9.743 0.477 5.859 880 HD2 LYS 46 1HD LYS 46 8.639 2.673 5.855 881 HD3 LYS 46 2HD LYS 46 7.951 2.314 7.449 882 HE2 LYS 46 1HE LYS 46 10.921 2.338 6.888 883 HE3 LYS 46 2HE LYS 46 10.019 3.747 7.465 884 HZ1 LYS 46 3HZ LYS 46 10.330 2.982 9.507 885 HZ2 LYS 46 1HZ LYS 46 10.998 1.535 8.940 886 HZ3 LYS 46 2HZ LYS 46 9.325 1.671 9.145 887 H LYS 47 H LYS 47 5.498 -1.288 4.501 888 HA LYS 47 HA LYS 47 5.932 -4.005 5.190 889 HB2 LYS 47 1HB LYS 47 3.589 -2.366 4.318 890 HB3 LYS 47 2HB LYS 47 3.451 -4.131 4.279 891 HG2 LYS 47 1HG LYS 47 2.799 -3.973 6.403 892 HG3 LYS 47 2HG LYS 47 4.508 -3.680 6.765 893 HD2 LYS 47 1HD LYS 47 3.457 -1.202 5.932 894 HD3 LYS 47 2HD LYS 47 2.266 -1.906 7.042 895 HE2 LYS 47 1HE LYS 47 5.198 -1.386 7.577 896 HE3 LYS 47 2HE LYS 47 3.802 -0.607 8.335 897 HZ1 LYS 47 3HZ LYS 47 3.954 -2.147 9.906 898 HZ2 LYS 47 1HZ LYS 47 5.095 -3.041 9.034 899 HZ3 LYS 47 2HZ LYS 47 3.443 -3.294 8.772 900 H ALA 48 H ALA 48 5.051 -2.416 2.133 901 HA ALA 48 HA ALA 48 4.793 -4.632 0.511 902 HB1 ALA 48 3HB ALA 48 6.090 -2.068 -0.382 903 HB2 ALA 48 1HB ALA 48 5.139 -3.199 -1.345 904 HB3 ALA 48 2HB ALA 48 4.357 -2.228 -0.097 905 H GLU 49 H GLU 49 7.757 -2.836 1.298 906 HA GLU 49 HA GLU 49 9.427 -4.591 -0.242 907 HE2 GLU 49 HE2 GLU 49 12.507 -0.103 0.291 908 HB2 GLU 49 1HB GLU 49 9.825 -2.106 0.368 909 HB3 GLU 49 2HB GLU 49 10.425 -2.743 1.906 910 HG2 GLU 49 1HG GLU 49 12.191 -3.917 0.858 911 HG3 GLU 49 2HG GLU 49 11.494 -3.653 -0.748 912 H GLU 50 H GLU 50 8.370 -4.376 3.076 913 HA GLU 50 HA GLU 50 10.311 -6.063 4.237 914 HE2 GLU 50 HE2 GLU 50 10.049 -5.989 9.137 915 HB2 GLU 50 1HB GLU 50 7.644 -5.009 5.000 916 HB3 GLU 50 2HB GLU 50 8.185 -6.469 5.841 917 HG2 GLU 50 1HG GLU 50 10.144 -4.258 5.646 918 HG3 GLU 50 2HG GLU 50 8.737 -3.996 6.687 919 H LEU 51 H LEU 51 7.014 -6.752 3.080 920 HA LEU 51 HA LEU 51 7.222 -9.557 3.536 921 HG LEU 51 HG LEU 51 5.792 -7.076 1.240 922 HB2 LEU 51 1HB LEU 51 5.117 -9.734 2.364 923 HB3 LEU 51 2HB LEU 51 5.079 -8.366 3.491 924 HD11 LEU 51 1HD1 LEU 51 5.115 -9.635 0.315 925 HD12 LEU 51 2HD1 LEU 51 5.389 -8.179 -0.640 926 HD13 LEU 51 3HD1 LEU 51 3.759 -8.587 -0.103 927 HD21 LEU 51 3HD2 LEU 51 3.077 -7.055 1.000 928 HD22 LEU 51 1HD2 LEU 51 3.999 -6.080 2.144 929 HD23 LEU 51 2HD2 LEU 51 3.287 -7.608 2.663 930 H PHE 52 H PHE 52 7.631 -7.473 0.714 931 HA PHE 52 HA PHE 52 7.976 -9.579 -1.158 932 HD1 PHE 52 HD1 PHE 52 8.192 -9.514 -3.563 933 HD2 PHE 52 HD2 PHE 52 10.384 -5.982 -2.648 934 HE1 PHE 52 HE1 PHE 52 9.510 -9.803 -5.621 935 HE2 PHE 52 HE2 PHE 52 11.705 -6.265 -4.704 936 HZ PHE 52 HZ PHE 52 11.268 -8.177 -6.193 937 HB2 PHE 52 1HB PHE 52 7.345 -7.426 -1.983 938 HB3 PHE 52 2HB PHE 52 8.737 -6.658 -1.217 939 H LYS 53 H LYS 53 10.053 -8.080 1.148 940 HA LYS 53 HA LYS 53 12.558 -8.598 -0.012 941 HB2 LYS 53 1HB LYS 53 12.512 -7.120 1.828 942 HB3 LYS 53 2HB LYS 53 11.648 -8.287 2.841 943 HG2 LYS 53 1HG LYS 53 14.284 -9.179 1.867 944 HG3 LYS 53 2HG LYS 53 14.298 -7.815 2.999 945 HD2 LYS 53 1HD LYS 53 13.823 -9.135 4.735 946 HD3 LYS 53 2HD LYS 53 12.464 -9.872 3.871 947 HE2 LYS 53 1HE LYS 53 14.075 -11.586 4.447 948 HE3 LYS 53 2HE LYS 53 14.042 -11.356 2.692 949 HZ1 LYS 53 3HZ LYS 53 16.299 -11.508 3.385 950 HZ2 LYS 53 1HZ LYS 53 16.087 -10.332 4.583 951 HZ3 LYS 53 2HZ LYS 53 16.015 -9.898 2.949 952 H LEU 54 H LEU 54 10.812 -10.470 2.476 953 HA LEU 54 HA LEU 54 12.603 -12.692 2.259 954 HG LEU 54 HG LEU 54 12.915 -13.210 4.298 955 HB2 LEU 54 1HB LEU 54 10.495 -11.840 3.992 956 HB3 LEU 54 2HB LEU 54 10.165 -13.496 3.453 957 HD11 LEU 54 1HD1 LEU 54 10.976 -12.854 6.540 958 HD12 LEU 54 2HD1 LEU 54 11.620 -11.446 5.698 959 HD13 LEU 54 3HD1 LEU 54 12.716 -12.568 6.503 960 HD21 LEU 54 3HD2 LEU 54 11.743 -15.333 4.029 961 HD22 LEU 54 1HD2 LEU 54 10.611 -14.878 5.301 962 HD23 LEU 54 2HD2 LEU 54 12.312 -15.130 5.686 963 H ALA 55 H ALA 55 9.701 -11.711 0.673 964 HA ALA 55 HA ALA 55 8.662 -14.156 -0.170 965 HB1 ALA 55 3HB ALA 55 8.632 -11.444 -1.474 966 HB2 ALA 55 1HB ALA 55 7.743 -12.831 -2.105 967 HB3 ALA 55 2HB ALA 55 7.368 -12.197 -0.502 968 H GLU 56 H GLU 56 11.308 -12.225 -1.460 969 HA GLU 56 HA GLU 56 11.685 -13.432 -3.919 970 HE2 GLU 56 HE2 GLU 56 15.262 -8.810 -2.718 971 HB2 GLU 56 1HB GLU 56 13.969 -12.650 -2.110 972 HB3 GLU 56 2HB GLU 56 13.903 -12.593 -3.878 973 HG2 GLU 56 1HG GLU 56 12.047 -10.862 -3.593 974 HG3 GLU 56 2HG GLU 56 12.573 -10.772 -1.906 975 H GLU 57 H GLU 57 12.527 -14.588 -0.723 976 HA GLU 57 HA GLU 57 14.284 -16.649 -1.436 977 HE2 GLU 57 HE2 GLU 57 12.289 -20.534 1.834 978 HB2 GLU 57 1HB GLU 57 13.897 -15.813 0.880 979 HB3 GLU 57 2HB GLU 57 12.334 -16.645 0.873 980 HG2 GLU 57 1HG GLU 57 14.401 -18.479 0.103 981 HG3 GLU 57 2HG GLU 57 14.831 -17.675 1.620 982 H ARG 58 H ARG 58 10.764 -16.735 -0.910 983 HA ARG 58 HA ARG 58 10.567 -19.474 -1.759 984 HE ARG 58 HE ARG 58 7.052 -15.913 -0.187 985 HB2 ARG 58 1HB ARG 58 8.284 -17.519 -1.494 986 HB3 ARG 58 2HB ARG 58 8.238 -19.281 -1.339 987 HG2 ARG 58 1HG ARG 58 8.406 -19.037 0.857 988 HG3 ARG 58 2HG ARG 58 10.048 -18.424 0.604 989 HD2 ARG 58 1HD ARG 58 8.665 -16.882 1.953 990 HD3 ARG 58 2HD ARG 58 9.228 -16.157 0.441 991 HH11 ARG 58 1HH1 ARG 58 7.227 -18.370 2.273 992 HH12 ARG 58 2HH1 ARG 58 5.509 -18.560 2.391 993 HH21 ARG 58 1HH2 ARG 58 4.788 -16.154 -0.043 994 HH22 ARG 58 2HH2 ARG 58 4.123 -17.300 1.071 995 H LEU 59 H LEU 59 10.477 -16.388 -3.280 996 HA LEU 59 HA LEU 59 9.068 -17.297 -5.633 997 HG LEU 59 HG LEU 59 8.301 -15.143 -3.848 998 HB2 LEU 59 1HB LEU 59 10.550 -14.735 -5.022 999 HB3 LEU 59 2HB LEU 59 9.664 -15.050 -6.524 1000 HD11 LEU 59 1HD1 LEU 59 7.538 -12.786 -4.518 1001 HD12 LEU 59 2HD1 LEU 59 8.972 -12.765 -5.543 1002 HD13 LEU 59 3HD1 LEU 59 9.138 -12.971 -3.799 1003 HD21 LEU 59 3HD2 LEU 59 6.664 -14.175 -5.920 1004 HD22 LEU 59 1HD2 LEU 59 6.573 -15.737 -5.105 1005 HD23 LEU 59 2HD2 LEU 59 7.534 -15.565 -6.573 1006 H LYS 60 H LYS 60 12.195 -15.622 -5.485 1007 HA LYS 60 HA LYS 60 13.178 -17.435 -7.574 1008 HB2 LYS 60 1HB LYS 60 14.985 -15.675 -7.837 1009 HB3 LYS 60 2HB LYS 60 13.342 -15.177 -8.276 1010 HG2 LYS 60 1HG LYS 60 13.821 -14.608 -5.500 1011 HG3 LYS 60 2HG LYS 60 15.101 -13.907 -6.506 1012 HD2 LYS 60 1HD LYS 60 12.139 -13.546 -7.007 1013 HD3 LYS 60 2HD LYS 60 13.169 -12.384 -6.152 1014 HE2 LYS 60 1HE LYS 60 14.523 -12.032 -8.116 1015 HE3 LYS 60 2HE LYS 60 13.673 -13.328 -8.970 1016 HZ1 LYS 60 3HZ LYS 60 12.919 -10.587 -8.614 1017 HZ2 LYS 60 1HZ LYS 60 11.673 -11.656 -8.208 1018 HZ3 LYS 60 2HZ LYS 60 12.371 -11.717 -9.747 1019 H LYS 61 H LYS 61 15.812 -17.360 -7.391 1020 HA LYS 61 HA LYS 61 16.353 -18.619 -4.795 1021 HB2 LYS 61 1HB LYS 61 16.714 -19.758 -7.121 1022 HB3 LYS 61 2HB LYS 61 18.197 -18.792 -7.151 1023 HG2 LYS 61 1HG LYS 61 18.644 -19.814 -4.814 1024 HG3 LYS 61 2HG LYS 61 17.438 -21.017 -5.305 1025 HD2 LYS 61 1HD LYS 61 18.931 -22.089 -6.564 1026 HD3 LYS 61 2HD LYS 61 19.309 -20.596 -7.440 1027 HE2 LYS 61 1HE LYS 61 20.733 -19.984 -5.369 1028 HE3 LYS 61 2HE LYS 61 20.600 -21.703 -4.970 1029 HZ1 LYS 61 3HZ LYS 61 21.493 -22.166 -7.241 1030 HZ2 LYS 61 1HZ LYS 61 22.587 -21.411 -6.195 1031 HZ3 LYS 61 2HZ LYS 61 21.813 -20.512 -7.400 1032 H LEU 62 H LEU 62 17.273 -15.976 -6.844 1033 HA LEU 62 HA LEU 62 18.657 -14.198 -6.547 1034 HG LEU 62 HG LEU 62 16.367 -14.426 -4.904 1035 HB2 LEU 62 1HB LEU 62 18.702 -15.035 -3.644 1036 HB3 LEU 62 2HB LEU 62 19.072 -13.434 -4.306 1037 HD11 LEU 62 1HD1 LEU 62 16.200 -15.253 -2.769 1038 HD12 LEU 62 2HD1 LEU 62 15.731 -13.572 -2.513 1039 HD13 LEU 62 3HD1 LEU 62 17.365 -14.102 -2.113 1040 HD21 LEU 62 3HD2 LEU 62 17.773 -11.896 -4.318 1041 HD22 LEU 62 1HD2 LEU 62 16.088 -11.992 -3.810 1042 HD23 LEU 62 2HD2 LEU 62 16.513 -12.252 -5.501 1043 HC1 HLT 101 HC1 HLT 101 -0.023 -0.756 -3.095 Start of MODEL 8 1 HA MET 1 HA MET 1 -15.480 25.409 -0.276 2 H1 MET 1 1H MET 1 -13.067 26.960 -0.080 3 HB2 MET 1 1HB MET 1 -15.484 27.341 -2.071 4 HB3 MET 1 2HB MET 1 -14.381 26.252 -2.924 5 HG2 MET 1 1HG MET 1 -15.991 24.715 -3.376 6 HG3 MET 1 2HG MET 1 -16.883 25.069 -1.895 7 HE1 MET 1 3HE MET 1 -17.586 25.297 -5.695 8 HE2 MET 1 1HE MET 1 -17.226 27.000 -5.977 9 HE3 MET 1 2HE MET 1 -15.970 25.924 -5.366 10 H LYS 2 H LYS 2 -14.195 23.790 0.632 11 HA LYS 2 HA LYS 2 -11.681 22.965 -0.158 12 HB2 LYS 2 1HB LYS 2 -12.134 20.872 0.906 13 HB3 LYS 2 2HB LYS 2 -12.974 22.133 1.824 14 HG2 LYS 2 1HG LYS 2 -14.922 21.398 0.086 15 HG3 LYS 2 2HG LYS 2 -14.055 19.867 0.308 16 HD2 LYS 2 1HD LYS 2 -14.190 20.391 2.833 17 HD3 LYS 2 2HD LYS 2 -15.435 21.561 2.365 18 HE2 LYS 2 1HE LYS 2 -15.541 18.667 1.514 19 HE3 LYS 2 2HE LYS 2 -16.233 19.242 3.038 20 HZ1 LYS 2 3HZ LYS 2 -17.325 20.978 1.376 21 HZ2 LYS 2 1HZ LYS 2 -18.040 19.486 1.731 22 HZ3 LYS 2 2HZ LYS 2 -17.147 19.678 0.308 23 H LYS 3 H LYS 3 -10.900 21.390 -1.580 24 HA LYS 3 HA LYS 3 -12.453 19.816 -3.295 25 HB2 LYS 3 1HB LYS 3 -12.134 22.595 -4.112 26 HB3 LYS 3 2HB LYS 3 -11.490 21.467 -5.316 27 HG2 LYS 3 1HG LYS 3 -14.074 20.600 -4.330 28 HG3 LYS 3 2HG LYS 3 -14.133 22.237 -5.010 29 HD2 LYS 3 1HD LYS 3 -13.078 21.435 -7.073 30 HD3 LYS 3 2HD LYS 3 -13.009 19.800 -6.393 31 HE2 LYS 3 1HE LYS 3 -15.494 21.403 -7.038 32 HE3 LYS 3 2HE LYS 3 -14.906 19.951 -7.863 33 HZ1 LYS 3 3HZ LYS 3 -16.210 18.826 -6.481 34 HZ2 LYS 3 1HZ LYS 3 -16.476 20.170 -5.488 35 HZ3 LYS 3 2HZ LYS 3 -15.113 19.197 -5.247 36 H LEU 4 H LEU 4 -9.480 21.691 -2.956 37 HA LEU 4 HA LEU 4 -7.930 19.884 -4.566 38 HG LEU 4 HG LEU 4 -6.145 23.085 -4.890 39 HB2 LEU 4 1HB LEU 4 -7.410 22.332 -2.954 40 HB3 LEU 4 2HB LEU 4 -6.045 21.251 -3.283 41 HD11 LEU 4 1HD1 LEU 4 -5.183 21.597 -6.223 42 HD12 LEU 4 2HD1 LEU 4 -6.776 21.226 -6.881 43 HD13 LEU 4 3HD1 LEU 4 -6.138 20.285 -5.533 44 HD21 LEU 4 3HD2 LEU 4 -7.996 23.740 -5.968 45 HD22 LEU 4 1HD2 LEU 4 -8.857 22.820 -4.733 46 HD23 LEU 4 2HD2 LEU 4 -8.508 22.084 -6.297 47 H ARG 5 H ARG 5 -8.617 20.314 -1.161 48 HA ARG 5 HA ARG 5 -6.570 18.575 -0.208 49 HE ARG 5 HE ARG 5 -9.129 23.219 0.158 50 HB2 ARG 5 1HB ARG 5 -9.163 19.313 1.166 51 HB3 ARG 5 2HB ARG 5 -7.680 18.722 1.930 52 HG2 ARG 5 1HG ARG 5 -6.913 20.786 2.156 53 HG3 ARG 5 2HG ARG 5 -7.072 21.061 0.414 54 HD2 ARG 5 1HD ARG 5 -9.668 21.251 1.172 55 HD3 ARG 5 2HD ARG 5 -8.854 21.847 2.624 56 HH11 ARG 5 1HH1 ARG 5 -6.927 22.722 2.809 57 HH12 ARG 5 2HH1 ARG 5 -6.146 24.257 2.617 58 HH21 ARG 5 1HH2 ARG 5 -8.109 25.242 -0.102 59 HH22 ARG 5 2HH2 ARG 5 -6.820 25.690 0.963 60 H GLU 6 H GLU 6 -9.924 18.153 -1.169 61 HA GLU 6 HA GLU 6 -10.437 15.630 -0.146 62 HE2 GLU 6 HE2 GLU 6 -14.366 14.236 -3.941 63 HB2 GLU 6 1HB GLU 6 -11.879 17.344 -1.588 64 HB3 GLU 6 2HB GLU 6 -11.405 16.247 -2.894 65 HG2 GLU 6 1HG GLU 6 -12.309 14.730 -0.627 66 HG3 GLU 6 2HG GLU 6 -13.515 15.943 -1.081 67 H GLU 7 H GLU 7 -8.429 16.578 -2.816 68 HA GLU 7 HA GLU 7 -8.281 14.239 -4.292 69 HE2 GLU 7 HE2 GLU 7 -3.796 13.906 -6.625 70 HB2 GLU 7 1HB GLU 7 -6.957 16.679 -4.260 71 HB3 GLU 7 2HB GLU 7 -5.675 15.495 -3.958 72 HG2 GLU 7 1HG GLU 7 -7.584 14.947 -6.173 73 HG3 GLU 7 2HG GLU 7 -6.366 16.211 -6.401 74 H ALA 8 H ALA 8 -6.250 15.200 -1.528 75 HA ALA 8 HA ALA 8 -4.639 12.958 -1.375 76 HB1 ALA 8 3HB ALA 8 -5.457 15.087 0.463 77 HB2 ALA 8 1HB ALA 8 -4.953 13.592 1.252 78 HB3 ALA 8 2HB ALA 8 -3.859 14.416 0.139 79 H ALA 9 H ALA 9 -7.973 13.345 -0.464 80 HA ALA 9 HA ALA 9 -8.187 11.082 1.229 81 HB1 ALA 9 3HB ALA 9 -10.623 11.724 -0.215 82 HB2 ALA 9 1HB ALA 9 -10.281 11.788 1.515 83 HB3 ALA 9 2HB ALA 9 -9.853 13.150 0.479 84 H LYS 10 H LYS 10 -8.607 11.562 -2.243 85 HA LYS 10 HA LYS 10 -9.542 8.901 -2.733 86 HB2 LYS 10 1HB LYS 10 -8.303 10.760 -4.764 87 HB3 LYS 10 2HB LYS 10 -9.483 9.468 -5.042 88 HG2 LYS 10 1HG LYS 10 -10.838 11.070 -3.298 89 HG3 LYS 10 2HG LYS 10 -9.897 12.247 -4.229 90 HD2 LYS 10 1HD LYS 10 -11.441 10.069 -5.613 91 HD3 LYS 10 2HD LYS 10 -12.232 11.569 -5.095 92 HE2 LYS 10 1HE LYS 10 -11.539 12.524 -6.987 93 HE3 LYS 10 2HE LYS 10 -9.884 12.379 -6.377 94 HZ1 LYS 10 3HZ LYS 10 -10.876 11.186 -8.618 95 HZ2 LYS 10 1HZ LYS 10 -10.838 9.925 -7.490 96 HZ3 LYS 10 2HZ LYS 10 -9.427 10.790 -7.841 97 H LEU 11 H LEU 11 -6.429 10.491 -2.678 98 HA LEU 11 HA LEU 11 -4.856 8.727 -4.100 99 HG LEU 11 HG LEU 11 -4.743 11.822 -3.211 100 HB2 LEU 11 1HB LEU 11 -4.182 10.184 -1.538 101 HB3 LEU 11 2HB LEU 11 -3.003 9.430 -2.626 102 HD11 LEU 11 1HD1 LEU 11 -1.752 11.505 -3.004 103 HD12 LEU 11 2HD1 LEU 11 -2.797 12.274 -1.809 104 HD13 LEU 11 3HD1 LEU 11 -2.614 12.989 -3.411 105 HD21 LEU 11 3HD2 LEU 11 -3.579 11.889 -5.381 106 HD22 LEU 11 1HD2 LEU 11 -4.596 10.458 -5.204 107 HD23 LEU 11 2HD2 LEU 11 -2.847 10.325 -5.017 108 H PHE 12 H PHE 12 -5.786 8.546 -0.676 109 HA PHE 12 HA PHE 12 -4.427 6.069 -0.236 110 HD1 PHE 12 HD2 PHE 12 -2.964 6.450 1.117 111 HD2 PHE 12 HD1 PHE 12 -5.738 9.221 2.774 112 HE1 PHE 12 HE2 PHE 12 -1.098 7.754 2.051 113 HE2 PHE 12 HE1 PHE 12 -3.876 10.529 3.711 114 HZ PHE 12 HZ PHE 12 -1.554 9.796 3.351 115 HB2 PHE 12 1HB PHE 12 -6.524 7.548 1.370 116 HB3 PHE 12 2HB PHE 12 -5.738 6.066 1.917 117 H GLU 13 H GLU 13 -7.522 6.973 -1.451 118 HA GLU 13 HA GLU 13 -9.013 4.680 -0.838 119 HE2 GLU 13 HE2 GLU 13 -12.190 2.517 -2.650 120 HB2 GLU 13 1HB GLU 13 -9.577 7.022 -2.046 121 HB3 GLU 13 2HB GLU 13 -9.491 5.964 -3.464 122 HG2 GLU 13 1HG GLU 13 -11.208 5.395 -1.052 123 HG3 GLU 13 2HG GLU 13 -11.772 6.244 -2.498 124 H GLU 14 H GLU 14 -6.736 5.361 -3.426 125 HA GLU 14 HA GLU 14 -7.309 2.979 -4.904 126 HE2 GLU 14 HE2 GLU 14 -6.569 4.959 -9.320 127 HB2 GLU 14 1HB GLU 14 -4.803 4.666 -5.033 128 HB3 GLU 14 2HB GLU 14 -5.432 3.579 -6.279 129 HG2 GLU 14 1HG GLU 14 -7.541 5.249 -5.978 130 HG3 GLU 14 2HG GLU 14 -6.191 6.337 -5.623 131 H TRP 15 H TRP 15 -5.132 3.853 -2.324 132 HA TRP 15 HA TRP 15 -3.293 1.752 -2.520 133 HD1 TRP 15 HD1 TRP 15 -3.027 4.324 -3.121 134 HE1 TRP 15 HE1 TRP 15 -0.963 5.860 -3.054 135 HE3 TRP 15 HE3 TRP 15 -1.423 3.324 1.629 136 HZ2 TRP 15 HZ2 TRP 15 1.075 6.556 -1.230 137 HZ3 TRP 15 HZ3 TRP 15 0.591 4.467 2.460 138 HH2 TRP 15 HH2 TRP 15 1.814 6.048 1.058 139 HB2 TRP 15 1HB TRP 15 -4.285 3.366 -0.166 140 HB3 TRP 15 2HB TRP 15 -3.033 2.136 -0.002 141 H LYS 16 H LYS 16 -6.246 1.984 -0.538 142 HA LYS 16 HA LYS 16 -6.093 -0.686 0.411 143 HB2 LYS 16 1HB LYS 16 -7.325 0.991 1.647 144 HB3 LYS 16 2HB LYS 16 -8.417 1.242 0.276 145 HG2 LYS 16 1HG LYS 16 -9.514 -0.781 0.597 146 HG3 LYS 16 2HG LYS 16 -8.182 -1.451 1.557 147 HD2 LYS 16 1HD LYS 16 -8.897 -0.500 3.481 148 HD3 LYS 16 2HD LYS 16 -9.437 0.976 2.661 149 HE2 LYS 16 1HE LYS 16 -11.541 0.264 2.824 150 HE3 LYS 16 2HE LYS 16 -11.122 -1.082 1.754 151 HZ1 LYS 16 3HZ LYS 16 -10.188 -1.972 4.095 152 HZ2 LYS 16 1HZ LYS 16 -11.737 -2.313 3.506 153 HZ3 LYS 16 2HZ LYS 16 -11.513 -1.062 4.622 154 H LYS 17 H LYS 17 -7.448 0.792 -2.433 155 HA LYS 17 HA LYS 17 -9.179 -1.326 -3.181 156 HB2 LYS 17 1HB LYS 17 -8.375 1.218 -4.221 157 HB3 LYS 17 2HB LYS 17 -8.247 0.007 -5.507 158 HG2 LYS 17 1HG LYS 17 -10.428 1.038 -5.572 159 HG3 LYS 17 2HG LYS 17 -10.575 -0.663 -5.091 160 HD2 LYS 17 1HD LYS 17 -10.219 0.953 -2.745 161 HD3 LYS 17 2HD LYS 17 -11.536 1.615 -3.730 162 HE2 LYS 17 1HE LYS 17 -11.362 -1.326 -3.094 163 HE3 LYS 17 2HE LYS 17 -12.127 -0.171 -1.992 164 HZ1 LYS 17 3HZ LYS 17 -13.390 0.509 -4.168 165 HZ2 LYS 17 1HZ LYS 17 -13.911 -0.802 -3.234 166 HZ3 LYS 17 2HZ LYS 17 -13.006 -1.071 -4.637 167 H LEU 18 H LEU 18 -5.979 -0.390 -4.456 168 HA LEU 18 HA LEU 18 -5.596 -2.570 -6.130 169 HG LEU 18 HG LEU 18 -5.016 -0.198 -6.878 170 HB2 LEU 18 1HB LEU 18 -3.663 -0.827 -4.615 171 HB3 LEU 18 2HB LEU 18 -3.117 -2.119 -5.696 172 HD11 LEU 18 1HD1 LEU 18 -2.869 1.273 -7.295 173 HD12 LEU 18 2HD1 LEU 18 -2.404 0.624 -5.724 174 HD13 LEU 18 3HD1 LEU 18 -3.905 1.534 -5.893 175 HD21 LEU 18 3HD2 LEU 18 -2.714 -1.874 -7.659 176 HD22 LEU 18 1HD2 LEU 18 -2.918 -0.361 -8.542 177 HD23 LEU 18 2HD2 LEU 18 -4.224 -1.545 -8.510 178 H ALA 19 H ALA 19 -4.735 -2.199 -2.709 179 HA ALA 19 HA ALA 19 -3.447 -4.673 -2.392 180 HB1 ALA 19 3HB ALA 19 -3.166 -3.996 -0.285 181 HB2 ALA 19 1HB ALA 19 -3.958 -2.502 -0.785 182 HB3 ALA 19 2HB ALA 19 -4.898 -3.790 -0.028 183 H GLU 20 H GLU 20 -6.837 -3.768 -2.286 184 HA GLU 20 HA GLU 20 -7.898 -6.050 -1.083 185 HE2 GLU 20 HE2 GLU 20 -10.077 -3.358 1.094 186 HB2 GLU 20 1HB GLU 20 -8.963 -3.762 -1.988 187 HB3 GLU 20 2HB GLU 20 -9.418 -4.830 -3.324 188 HG2 GLU 20 1HG GLU 20 -11.199 -5.398 -2.132 189 HG3 GLU 20 2HG GLU 20 -10.090 -6.282 -1.075 190 H GLU 21 H GLU 21 -7.344 -5.373 -4.532 191 HA GLU 21 HA GLU 21 -8.197 -7.971 -5.369 192 HE2 GLU 21 HE2 GLU 21 -7.742 -4.373 -9.778 193 HB2 GLU 21 1HB GLU 21 -6.515 -5.969 -6.893 194 HB3 GLU 21 2HB GLU 21 -7.450 -7.309 -7.574 195 HG2 GLU 21 1HG GLU 21 -9.507 -6.269 -7.115 196 HG3 GLU 21 2HG GLU 21 -8.751 -5.092 -6.031 197 H ALA 22 H ALA 22 -5.023 -6.394 -5.064 198 HA ALA 22 HA ALA 22 -3.435 -8.509 -5.930 199 HB1 ALA 22 3HB ALA 22 -2.330 -6.479 -5.693 200 HB2 ALA 22 1HB ALA 22 -2.942 -6.222 -4.059 201 HB3 ALA 22 2HB ALA 22 -1.696 -7.437 -4.354 202 H ALA 23 H ALA 23 -5.008 -7.971 -2.857 203 HA ALA 23 HA ALA 23 -3.550 -9.927 -1.387 204 HB1 ALA 23 3HB ALA 23 -4.563 -8.427 0.019 205 HB2 ALA 23 1HB ALA 23 -6.044 -8.361 -0.938 206 HB3 ALA 23 2HB ALA 23 -5.717 -9.759 0.087 207 H LYS 24 H LYS 24 -6.835 -9.946 -2.778 208 HA LYS 24 HA LYS 24 -7.385 -12.640 -2.194 209 HB2 LYS 24 1HB LYS 24 -9.167 -12.431 -3.923 210 HB3 LYS 24 2HB LYS 24 -9.183 -11.130 -2.721 211 HG2 LYS 24 1HG LYS 24 -8.043 -9.642 -4.300 212 HG3 LYS 24 2HG LYS 24 -8.046 -10.942 -5.504 213 HD2 LYS 24 1HD LYS 24 -9.876 -9.385 -5.924 214 HD3 LYS 24 2HD LYS 24 -10.499 -10.979 -5.462 215 HE2 LYS 24 1HE LYS 24 -11.523 -10.167 -3.643 216 HE3 LYS 24 2HE LYS 24 -10.079 -9.270 -3.155 217 HZ1 LYS 24 3HZ LYS 24 -11.195 -7.447 -3.702 218 HZ2 LYS 24 1HZ LYS 24 -12.433 -8.324 -4.453 219 HZ3 LYS 24 2HZ LYS 24 -11.045 -7.904 -5.325 220 H LEU 25 H LEU 25 -5.808 -11.097 -4.925 221 HA LEU 25 HA LEU 25 -5.735 -13.470 -6.533 222 HG LEU 25 HG LEU 25 -6.714 -11.428 -8.085 223 HB2 LEU 25 1HB LEU 25 -4.819 -10.683 -6.737 224 HB3 LEU 25 2HB LEU 25 -3.777 -11.867 -7.546 225 HD11 LEU 25 1HD1 LEU 25 -6.089 -10.384 -10.083 226 HD12 LEU 25 2HD1 LEU 25 -4.421 -10.941 -9.957 227 HD13 LEU 25 3HD1 LEU 25 -5.017 -9.690 -8.867 228 HD21 LEU 25 3HD2 LEU 25 -5.223 -13.744 -8.447 229 HD22 LEU 25 1HD2 LEU 25 -5.238 -12.972 -10.032 230 HD23 LEU 25 2HD2 LEU 25 -6.757 -13.342 -9.219 231 H LEU 26 H LEU 26 -3.506 -11.813 -4.359 232 HA LEU 26 HA LEU 26 -1.154 -13.145 -4.873 233 HG LEU 26 HG LEU 26 -0.572 -10.850 -4.229 234 HB2 LEU 26 1HB LEU 26 -2.346 -11.773 -2.558 235 HB3 LEU 26 2HB LEU 26 -1.083 -12.950 -2.157 236 HD11 LEU 26 1HD1 LEU 26 0.164 -10.340 -1.393 237 HD12 LEU 26 2HD1 LEU 26 -1.479 -9.974 -1.919 238 HD13 LEU 26 3HD1 LEU 26 -0.107 -9.204 -2.715 239 HD21 LEU 26 3HD2 LEU 26 1.268 -12.154 -4.247 240 HD22 LEU 26 1HD2 LEU 26 0.969 -12.785 -2.627 241 HD23 LEU 26 2HD2 LEU 26 1.705 -11.195 -2.832 242 H GLU 27 H GLU 27 -3.739 -14.145 -2.638 243 HA GLU 27 HA GLU 27 -2.450 -16.679 -2.131 244 HE2 GLU 27 HE2 GLU 27 -7.080 -17.821 0.673 245 HB2 GLU 27 1HB GLU 27 -3.996 -15.209 -0.567 246 HB3 GLU 27 2HB GLU 27 -5.282 -16.140 -1.352 247 HG2 GLU 27 1HG GLU 27 -3.334 -18.017 -0.608 248 HG3 GLU 27 2HG GLU 27 -3.508 -16.913 0.764 249 H GLY 28 H GLY 28 -4.473 -15.434 -4.520 250 HA2 GLY 28 1HA GLY 28 -5.480 -16.428 -6.331 251 HA3 GLY 28 2HA GLY 28 -4.682 -17.922 -5.864 252 H GLY 29 H GLY 29 -6.684 -16.387 -3.515 253 HA2 GLY 29 1HA GLY 29 -8.774 -16.886 -2.688 254 HA3 GLY 29 2HA GLY 29 -9.144 -17.633 -4.234 255 H GLY 30 H GLY 30 -6.342 -18.733 -2.550 256 HA2 GLY 30 1HA GLY 30 -6.894 -20.515 -0.721 257 HA3 GLY 30 2HA GLY 30 -7.694 -21.293 -2.078 258 H GLY 31 H GLY 31 -5.827 -20.647 -4.096 259 HA2 GLY 31 1HA GLY 31 -3.809 -22.637 -3.481 260 HA3 GLY 31 2HA GLY 31 -4.101 -21.893 -5.046 261 H GLY 32 H GLY 32 -2.718 -21.285 -1.839 262 HA2 GLY 32 1HA GLY 32 -0.374 -20.112 -2.922 263 HA3 GLY 32 2HA GLY 32 -1.467 -18.857 -2.357 264 H GLY 33 H GLY 33 -0.069 -18.182 -0.721 265 HA2 GLY 33 1HA GLY 33 1.109 -19.916 1.175 266 HA3 GLY 33 2HA GLY 33 0.883 -18.184 1.369 267 H GLY 34 H GLY 34 -1.451 -17.532 1.861 268 HA2 GLY 34 1HA GLY 34 -3.289 -17.655 3.233 269 HA3 GLY 34 2HA GLY 34 -3.200 -19.402 3.078 270 H GLY 35 H GLY 35 -0.852 -17.110 4.442 271 HA2 GLY 35 1HA GLY 35 -1.308 -18.319 7.087 272 HA3 GLY 35 2HA GLY 35 0.318 -18.279 6.422 273 H GLU 36 H GLU 36 0.576 -17.113 8.563 274 HA GLU 36 HA GLU 36 -0.461 -14.596 9.087 275 HE2 GLU 36 HE2 GLU 36 2.199 -14.092 13.843 276 HB2 GLU 36 1HB GLU 36 0.780 -15.730 10.781 277 HB3 GLU 36 2HB GLU 36 2.226 -15.790 9.761 278 HG2 GLU 36 1HG GLU 36 2.596 -13.455 9.970 279 HG3 GLU 36 2HG GLU 36 1.013 -13.217 10.725 280 H LEU 37 H LEU 37 2.066 -15.558 6.882 281 HA LEU 37 HA LEU 37 3.369 -13.152 6.446 282 HG LEU 37 HG LEU 37 1.553 -15.380 4.137 283 HB2 LEU 37 1HB LEU 37 4.200 -14.066 4.475 284 HB3 LEU 37 2HB LEU 37 3.850 -15.476 5.489 285 HD11 LEU 37 1HD1 LEU 37 2.405 -14.930 1.695 286 HD12 LEU 37 2HD1 LEU 37 3.520 -13.841 2.518 287 HD13 LEU 37 3HD1 LEU 37 1.780 -13.619 2.694 288 HD21 LEU 37 3HD2 LEU 37 4.152 -16.574 3.183 289 HD22 LEU 37 1HD2 LEU 37 2.560 -17.015 2.568 290 HD23 LEU 37 2HD2 LEU 37 2.966 -17.321 4.256 291 H MET 38 H MET 38 0.223 -14.213 5.370 292 HA MET 38 HA MET 38 -0.150 -12.220 3.376 293 HB2 MET 38 1HB MET 38 -1.490 -14.208 3.294 294 HB3 MET 38 2HB MET 38 -2.106 -13.916 4.928 295 HG2 MET 38 1HG MET 38 -3.785 -12.695 4.155 296 HG3 MET 38 2HG MET 38 -2.667 -11.652 3.274 297 HE1 MET 38 3HE MET 38 -2.223 -13.485 -0.099 298 HE2 MET 38 1HE MET 38 -2.424 -11.822 0.453 299 HE3 MET 38 2HE MET 38 -1.292 -12.894 1.277 300 H LYS 39 H LYS 39 -0.909 -12.424 6.816 301 HA LYS 39 HA LYS 39 -2.464 -10.099 7.020 302 HB2 LYS 39 1HB LYS 39 -2.209 -11.893 8.762 303 HB3 LYS 39 2HB LYS 39 -0.623 -11.204 9.145 304 HG2 LYS 39 1HG LYS 39 -1.881 -8.997 9.527 305 HG3 LYS 39 2HG LYS 39 -3.336 -10.007 9.568 306 HD2 LYS 39 1HD LYS 39 -0.994 -10.802 11.247 307 HD3 LYS 39 2HD LYS 39 -2.009 -9.448 11.774 308 HE2 LYS 39 1HE LYS 39 -3.986 -10.840 11.760 309 HE3 LYS 39 2HE LYS 39 -3.065 -12.181 11.061 310 HZ1 LYS 39 3HZ LYS 39 -1.782 -12.361 13.061 311 HZ2 LYS 39 1HZ LYS 39 -3.422 -12.395 13.473 312 HZ3 LYS 39 2HZ LYS 39 -2.517 -10.989 13.725 313 H LEU 40 H LEU 40 0.973 -10.571 6.800 314 HA LEU 40 HA LEU 40 1.881 -8.143 7.849 315 HG LEU 40 HG LEU 40 3.854 -9.694 8.524 316 HB2 LEU 40 1HB LEU 40 2.949 -10.338 6.338 317 HB3 LEU 40 2HB LEU 40 3.528 -8.807 5.658 318 HD11 LEU 40 1HD1 LEU 40 5.752 -9.606 6.191 319 HD12 LEU 40 2HD1 LEU 40 5.288 -11.002 7.162 320 HD13 LEU 40 3HD1 LEU 40 6.279 -9.729 7.870 321 HD21 LEU 40 3HD2 LEU 40 4.955 -7.272 7.105 322 HD22 LEU 40 1HD2 LEU 40 5.241 -7.729 8.784 323 HD23 LEU 40 2HD2 LEU 40 3.624 -7.255 8.262 324 H CYS 41 H CYS 41 1.283 -8.986 4.433 325 HA CYS 41 HA CYS 41 1.569 -6.284 3.554 326 HG CYS 41 HG CYS 41 -0.327 -9.294 0.599 327 HB2 CYS 41 1HB CYS 41 0.911 -7.091 1.381 328 HB3 CYS 41 2HB CYS 41 2.046 -8.242 2.106 329 H GLU 42 H GLU 42 -1.073 -8.253 4.649 330 HA GLU 42 HA GLU 42 -3.223 -6.834 3.538 331 HE2 GLU 42 HE2 GLU 42 -7.035 -8.835 7.675 332 HB2 GLU 42 1HB GLU 42 -3.395 -9.059 4.632 333 HB3 GLU 42 2HB GLU 42 -3.148 -8.269 6.198 334 HG2 GLU 42 1HG GLU 42 -5.200 -6.834 5.547 335 HG3 GLU 42 2HG GLU 42 -5.503 -8.115 4.365 336 H GLU 43 H GLU 43 -1.115 -6.116 6.192 337 HA GLU 43 HA GLU 43 -2.679 -4.353 7.675 338 HE2 GLU 43 HE2 GLU 43 1.002 -5.474 11.608 339 HB2 GLU 43 1HB GLU 43 0.292 -4.141 7.132 340 HB3 GLU 43 2HB GLU 43 -0.583 -3.406 8.483 341 HG2 GLU 43 1HG GLU 43 -1.192 -6.147 8.576 342 HG3 GLU 43 2HG GLU 43 0.547 -6.027 8.266 343 H ALA 44 H ALA 44 -1.151 -3.957 4.587 344 HA ALA 44 HA ALA 44 -0.909 -1.214 4.370 345 HB1 ALA 44 3HB ALA 44 -1.991 -2.653 2.017 346 HB2 ALA 44 1HB ALA 44 -0.620 -1.549 2.142 347 HB3 ALA 44 2HB ALA 44 -0.459 -3.221 2.683 348 H ALA 45 H ALA 45 -3.784 -3.221 3.835 349 HA ALA 45 HA ALA 45 -5.450 -1.005 3.117 350 HB1 ALA 45 3HB ALA 45 -7.108 -3.094 3.933 351 HB2 ALA 45 1HB ALA 45 -6.609 -2.708 2.286 352 HB3 ALA 45 2HB ALA 45 -5.687 -3.874 3.237 353 H LYS 46 H LYS 46 -4.484 -2.501 6.079 354 HA LYS 46 HA LYS 46 -6.673 -1.560 7.665 355 HB2 LYS 46 1HB LYS 46 -4.403 -3.247 8.020 356 HB3 LYS 46 2HB LYS 46 -4.350 -1.989 9.266 357 HG2 LYS 46 1HG LYS 46 -6.902 -3.471 8.764 358 HG3 LYS 46 2HG LYS 46 -5.608 -4.214 9.722 359 HD2 LYS 46 1HD LYS 46 -5.881 -2.791 11.470 360 HD3 LYS 46 2HD LYS 46 -6.310 -1.430 10.420 361 HE2 LYS 46 1HE LYS 46 -8.499 -2.774 9.980 362 HE3 LYS 46 2HE LYS 46 -8.051 -3.631 11.462 363 HZ1 LYS 46 3HZ LYS 46 -8.807 -1.952 12.666 364 HZ2 LYS 46 1HZ LYS 46 -9.348 -1.192 11.256 365 HZ3 LYS 46 2HZ LYS 46 -7.809 -0.848 11.865 366 H LYS 47 H LYS 47 -3.302 -0.514 7.225 367 HA LYS 47 HA LYS 47 -3.533 1.751 8.928 368 HB2 LYS 47 1HB LYS 47 -1.541 0.883 6.844 369 HB3 LYS 47 2HB LYS 47 -1.413 2.466 7.630 370 HG2 LYS 47 1HG LYS 47 -1.500 -0.154 9.125 371 HG3 LYS 47 2HG LYS 47 -0.011 0.687 8.658 372 HD2 LYS 47 1HD LYS 47 -0.974 2.722 9.887 373 HD3 LYS 47 2HD LYS 47 -2.133 1.579 10.589 374 HE2 LYS 47 1HE LYS 47 -0.074 0.183 11.254 375 HE3 LYS 47 2HE LYS 47 0.853 1.650 10.904 376 HZ1 LYS 47 3HZ LYS 47 -1.229 2.485 12.488 377 HZ2 LYS 47 1HZ LYS 47 0.383 2.285 12.962 378 HZ3 LYS 47 2HZ LYS 47 -0.727 1.029 13.187 379 H ALA 48 H ALA 48 -3.465 1.424 5.381 380 HA ALA 48 HA ALA 48 -3.783 4.077 4.686 381 HB1 ALA 48 3HB ALA 48 -4.797 1.588 3.330 382 HB2 ALA 48 1HB ALA 48 -4.883 3.195 2.606 383 HB3 ALA 48 2HB ALA 48 -3.315 2.483 2.989 384 H GLU 49 H GLU 49 -6.255 1.714 5.587 385 HA GLU 49 HA GLU 49 -8.476 3.391 5.036 386 HE2 GLU 49 HE2 GLU 49 -11.265 1.159 9.400 387 HB2 GLU 49 1HB GLU 49 -8.641 0.936 5.196 388 HB3 GLU 49 2HB GLU 49 -8.285 1.041 6.927 389 HG2 GLU 49 1HG GLU 49 -10.437 2.784 6.506 390 HG3 GLU 49 2HG GLU 49 -10.793 1.332 5.559 391 H GLU 50 H GLU 50 -6.444 2.891 7.849 392 HA GLU 50 HA GLU 50 -8.105 4.318 9.675 393 HE2 GLU 50 HE2 GLU 50 -7.294 2.708 14.254 394 HB2 GLU 50 1HB GLU 50 -6.371 2.627 10.322 395 HB3 GLU 50 2HB GLU 50 -5.134 3.815 9.886 396 HG2 GLU 50 1HG GLU 50 -5.217 4.331 12.068 397 HG3 GLU 50 2HG GLU 50 -6.617 5.293 11.570 398 H LEU 51 H LEU 51 -5.106 5.164 7.953 399 HA LEU 51 HA LEU 51 -5.052 7.849 8.863 400 HG LEU 51 HG LEU 51 -4.371 5.516 6.181 401 HB2 LEU 51 1HB LEU 51 -3.432 8.178 6.968 402 HB3 LEU 51 2HB LEU 51 -3.018 6.904 8.128 403 HD11 LEU 51 1HD1 LEU 51 -4.169 7.772 4.894 404 HD12 LEU 51 2HD1 LEU 51 -3.819 6.251 4.071 405 HD13 LEU 51 3HD1 LEU 51 -2.497 7.264 4.651 406 HD21 LEU 51 3HD2 LEU 51 -1.426 6.037 6.544 407 HD22 LEU 51 1HD2 LEU 51 -2.082 4.783 5.492 408 HD23 LEU 51 2HD2 LEU 51 -2.380 4.720 7.228 409 H PHE 52 H PHE 52 -6.691 6.236 6.273 410 HA PHE 52 HA PHE 52 -7.150 8.314 4.493 411 HD1 PHE 52 HD2 PHE 52 -8.470 8.689 2.763 412 HD2 PHE 52 HD1 PHE 52 -11.007 5.679 4.381 413 HE1 PHE 52 HE2 PHE 52 -10.319 9.495 1.353 414 HE2 PHE 52 HE1 PHE 52 -12.860 6.478 2.972 415 HZ PHE 52 HZ PHE 52 -12.517 8.390 1.457 416 HB2 PHE 52 1HB PHE 52 -7.787 6.081 3.904 417 HB3 PHE 52 2HB PHE 52 -8.897 5.977 5.272 418 H LYS 53 H LYS 53 -8.594 7.665 7.601 419 HA LYS 53 HA LYS 53 -10.865 9.301 7.402 420 HB2 LYS 53 1HB LYS 53 -9.210 8.261 9.674 421 HB3 LYS 53 2HB LYS 53 -10.466 9.468 9.993 422 HG2 LYS 53 1HG LYS 53 -12.043 7.914 9.964 423 HG3 LYS 53 2HG LYS 53 -11.547 7.402 8.341 424 HD2 LYS 53 1HD LYS 53 -11.321 5.473 9.672 425 HD3 LYS 53 2HD LYS 53 -9.675 6.107 9.494 426 HE2 LYS 53 1HE LYS 53 -9.593 5.866 11.738 427 HE3 LYS 53 2HE LYS 53 -10.461 7.407 11.729 428 HZ1 LYS 53 3HZ LYS 53 -12.174 5.104 11.475 429 HZ2 LYS 53 1HZ LYS 53 -12.318 6.454 12.485 430 HZ3 LYS 53 2HZ LYS 53 -11.325 5.161 12.936 431 H LEU 54 H LEU 54 -7.520 10.026 8.193 432 HA LEU 54 HA LEU 54 -7.791 12.583 9.235 433 HG LEU 54 HG LEU 54 -5.560 14.023 8.929 434 HB2 LEU 54 1HB LEU 54 -5.705 11.013 8.805 435 HB3 LEU 54 2HB LEU 54 -5.554 12.023 7.356 436 HD11 LEU 54 1HD1 LEU 54 -4.621 13.333 11.227 437 HD12 LEU 54 2HD1 LEU 54 -5.361 11.768 10.889 438 HD13 LEU 54 3HD1 LEU 54 -6.360 13.220 10.955 439 HD21 LEU 54 3HD2 LEU 54 -3.174 12.401 9.568 440 HD22 LEU 54 1HD2 LEU 54 -3.298 14.023 8.888 441 HD23 LEU 54 2HD2 LEU 54 -3.552 12.614 7.858 442 H ALA 55 H ALA 55 -8.159 11.462 5.978 443 HA ALA 55 HA ALA 55 -7.716 13.760 4.499 444 HB1 ALA 55 3HB ALA 55 -8.465 11.308 3.836 445 HB2 ALA 55 1HB ALA 55 -10.050 12.078 3.769 446 HB3 ALA 55 2HB ALA 55 -8.732 12.685 2.766 447 H GLU 56 H GLU 56 -10.367 12.955 6.611 448 HA GLU 56 HA GLU 56 -12.237 14.849 5.667 449 HE2 GLU 56 HE2 GLU 56 -16.606 12.965 8.824 450 HB2 GLU 56 1HB GLU 56 -12.482 12.838 7.344 451 HB3 GLU 56 2HB GLU 56 -12.120 14.079 8.555 452 HG2 GLU 56 1HG GLU 56 -14.036 15.357 7.960 453 HG3 GLU 56 2HG GLU 56 -14.327 14.350 6.534 454 H GLU 57 H GLU 57 -9.980 14.982 8.423 455 HA GLU 57 HA GLU 57 -10.541 17.560 9.276 456 HE2 GLU 57 HE2 GLU 57 -8.359 17.101 13.849 457 HB2 GLU 57 1HB GLU 57 -9.096 15.877 10.446 458 HB3 GLU 57 2HB GLU 57 -7.809 16.272 9.295 459 HG2 GLU 57 1HG GLU 57 -7.376 18.300 10.228 460 HG3 GLU 57 2HG GLU 57 -9.042 18.515 10.785 461 H ARG 58 H ARG 58 -8.328 16.463 6.749 462 HA ARG 58 HA ARG 58 -7.349 19.107 6.195 463 HE ARG 58 HE ARG 58 -3.854 15.653 4.668 464 HB2 ARG 58 1HB ARG 58 -7.128 16.602 4.511 465 HB3 ARG 58 2HB ARG 58 -6.154 18.071 4.351 466 HG2 ARG 58 1HG ARG 58 -4.676 17.312 5.815 467 HG3 ARG 58 2HG ARG 58 -5.949 17.110 7.030 468 HD2 ARG 58 1HD ARG 58 -5.309 14.930 6.873 469 HD3 ARG 58 2HD ARG 58 -6.479 14.964 5.546 470 HH11 ARG 58 1HH1 ARG 58 -5.925 12.980 5.497 471 HH12 ARG 58 2HH1 ARG 58 -5.079 11.844 4.499 472 HH21 ARG 58 1HH2 ARG 58 -2.730 14.167 3.351 473 HH22 ARG 58 2HH2 ARG 58 -3.261 12.521 3.279 474 H LEU 59 H LEU 59 -9.986 17.139 5.132 475 HA LEU 59 HA LEU 59 -10.476 18.704 2.744 476 HG LEU 59 HG LEU 59 -13.563 17.843 2.648 477 HB2 LEU 59 1HB LEU 59 -10.948 16.325 2.705 478 HB3 LEU 59 2HB LEU 59 -12.063 16.511 4.070 479 HD11 LEU 59 1HD1 LEU 59 -12.414 18.885 0.989 480 HD12 LEU 59 2HD1 LEU 59 -12.962 17.470 0.089 481 HD13 LEU 59 3HD1 LEU 59 -11.322 17.523 0.734 482 HD21 LEU 59 3HD2 LEU 59 -14.534 16.029 1.589 483 HD22 LEU 59 1HD2 LEU 59 -13.543 15.256 2.827 484 HD23 LEU 59 2HD2 LEU 59 -12.979 15.316 1.157 485 H LYS 60 H LYS 60 -12.584 17.872 5.498 486 HA LYS 60 HA LYS 60 -13.851 20.507 5.224 487 HB2 LYS 60 1HB LYS 60 -15.456 19.238 6.968 488 HB3 LYS 60 2HB LYS 60 -15.641 19.111 5.212 489 HG2 LYS 60 1HG LYS 60 -13.851 17.166 6.590 490 HG3 LYS 60 2HG LYS 60 -15.607 16.976 6.744 491 HD2 LYS 60 1HD LYS 60 -14.972 17.518 4.004 492 HD3 LYS 60 2HD LYS 60 -13.951 16.193 4.591 493 HE2 LYS 60 1HE LYS 60 -15.719 14.889 4.099 494 HE3 LYS 60 2HE LYS 60 -16.361 15.495 5.632 495 HZ1 LYS 60 3HZ LYS 60 -17.277 17.397 4.174 496 HZ2 LYS 60 1HZ LYS 60 -18.074 15.905 4.174 497 HZ3 LYS 60 2HZ LYS 60 -17.051 16.317 2.892 498 H LYS 61 H LYS 61 -13.485 18.338 8.014 499 HA LYS 61 HA LYS 61 -11.650 19.872 9.454 500 HB2 LYS 61 1HB LYS 61 -14.273 21.012 9.382 501 HB3 LYS 61 2HB LYS 61 -13.947 20.446 11.028 502 HG2 LYS 61 1HG LYS 61 -12.373 22.010 11.416 503 HG3 LYS 61 2HG LYS 61 -11.766 21.955 9.751 504 HD2 LYS 61 1HD LYS 61 -13.274 23.508 8.987 505 HD3 LYS 61 2HD LYS 61 -14.474 23.097 10.224 506 HE2 LYS 61 1HE LYS 61 -13.430 24.377 11.867 507 HE3 LYS 61 2HE LYS 61 -11.880 24.361 11.013 508 HZ1 LYS 61 3HZ LYS 61 -12.449 26.120 9.763 509 HZ2 LYS 61 1HZ LYS 61 -13.570 26.425 10.993 510 HZ3 LYS 61 2HZ LYS 61 -14.058 25.629 9.583 511 H LEU 62 H LEU 62 -14.456 17.768 9.535 512 HA LEU 62 HA LEU 62 -14.898 15.856 10.685 513 HG LEU 62 HG LEU 62 -13.979 13.663 11.119 514 HB2 LEU 62 1HB LEU 62 -12.492 15.418 9.973 515 HB3 LEU 62 2HB LEU 62 -12.040 15.902 11.616 516 HD11 LEU 62 1HD1 LEU 62 -11.446 12.623 11.787 517 HD12 LEU 62 2HD1 LEU 62 -11.217 13.703 10.411 518 HD13 LEU 62 3HD1 LEU 62 -12.373 12.374 10.306 519 HD21 LEU 62 3HD2 LEU 62 -14.101 14.056 13.348 520 HD22 LEU 62 1HD2 LEU 62 -12.502 14.796 13.418 521 HD23 LEU 62 2HD2 LEU 62 -12.659 13.040 13.356 522 HA MET 1 HA MET 1 12.189 -23.552 -13.550 523 H1 MET 1 1H MET 1 9.999 -25.220 -12.718 524 HB2 MET 1 1HB MET 1 11.274 -24.940 -15.595 525 HB3 MET 1 2HB MET 1 9.984 -23.728 -15.562 526 HG2 MET 1 1HG MET 1 11.333 -22.042 -16.263 527 HG3 MET 1 2HG MET 1 12.758 -22.718 -15.471 528 HE1 MET 1 3HE MET 1 11.701 -21.914 -19.110 529 HE2 MET 1 1HE MET 1 11.145 -23.504 -19.631 530 HE3 MET 1 2HE MET 1 10.359 -22.696 -18.275 531 H LYS 2 H LYS 2 11.551 -22.295 -11.788 532 HA LYS 2 HA LYS 2 9.013 -21.420 -11.147 533 HB2 LYS 2 1HB LYS 2 10.035 -19.661 -9.893 534 HB3 LYS 2 2HB LYS 2 11.097 -21.075 -9.796 535 HG2 LYS 2 1HG LYS 2 12.140 -19.815 -11.959 536 HG3 LYS 2 2HG LYS 2 11.571 -18.440 -10.995 537 HD2 LYS 2 1HD LYS 2 12.754 -19.601 -9.013 538 HD3 LYS 2 2HD LYS 2 13.584 -20.542 -10.265 539 HE2 LYS 2 1HE LYS 2 13.509 -17.524 -10.301 540 HE3 LYS 2 2HE LYS 2 14.752 -18.437 -9.433 541 HZ1 LYS 2 3HZ LYS 2 14.902 -19.626 -11.783 542 HZ2 LYS 2 1HZ LYS 2 15.796 -18.239 -11.409 543 HZ3 LYS 2 2HZ LYS 2 14.364 -18.108 -12.300 544 H LYS 3 H LYS 3 7.802 -19.572 -11.622 545 HA LYS 3 HA LYS 3 8.555 -17.524 -13.372 546 HB2 LYS 3 1HB LYS 3 7.722 -20.003 -14.654 547 HB3 LYS 3 2HB LYS 3 6.696 -18.636 -15.117 548 HG2 LYS 3 1HG LYS 3 9.506 -17.922 -15.177 549 HG3 LYS 3 2HG LYS 3 9.146 -19.314 -16.213 550 HD2 LYS 3 1HD LYS 3 7.351 -18.051 -17.312 551 HD3 LYS 3 2HD LYS 3 7.711 -16.658 -16.275 552 HE2 LYS 3 1HE LYS 3 9.530 -17.910 -18.344 553 HE3 LYS 3 2HE LYS 3 8.754 -16.322 -18.415 554 HZ1 LYS 3 3HZ LYS 3 10.613 -15.544 -17.514 555 HZ2 LYS 3 1HZ LYS 3 11.185 -17.089 -17.129 556 HZ3 LYS 3 2HZ LYS 3 10.145 -16.283 -16.066 557 H LEU 4 H LEU 4 5.905 -19.578 -12.267 558 HA LEU 4 HA LEU 4 3.937 -17.498 -12.505 559 HG LEU 4 HG LEU 4 1.973 -20.591 -12.827 560 HB2 LEU 4 1HB LEU 4 4.005 -20.307 -11.524 561 HB3 LEU 4 2HB LEU 4 2.712 -19.252 -10.926 562 HD11 LEU 4 1HD1 LEU 4 0.630 -18.858 -13.163 563 HD12 LEU 4 2HD1 LEU 4 1.795 -18.246 -14.337 564 HD13 LEU 4 3HD1 LEU 4 1.882 -17.723 -12.655 565 HD21 LEU 4 3HD2 LEU 4 3.116 -20.840 -14.737 566 HD22 LEU 4 1HD2 LEU 4 4.491 -20.232 -13.815 567 HD23 LEU 4 2HD2 LEU 4 3.546 -19.131 -14.817 568 H ARG 5 H ARG 5 6.010 -18.766 -9.985 569 HA ARG 5 HA ARG 5 4.707 -17.445 -7.821 570 HE ARG 5 HE ARG 5 6.829 -21.885 -9.826 571 HB2 ARG 5 1HB ARG 5 7.579 -18.387 -7.958 572 HB3 ARG 5 2HB ARG 5 6.618 -18.095 -6.501 573 HG2 ARG 5 1HG ARG 5 5.884 -20.183 -6.505 574 HG3 ARG 5 2HG ARG 5 5.249 -19.979 -8.148 575 HD2 ARG 5 1HD ARG 5 7.895 -20.229 -8.681 576 HD3 ARG 5 2HD ARG 5 7.754 -21.227 -7.226 577 HH11 ARG 5 1HH1 ARG 5 6.047 -22.221 -6.449 578 HH12 ARG 5 2HH1 ARG 5 5.157 -23.690 -6.668 579 HH21 ARG 5 1HH2 ARG 5 5.658 -23.819 -10.126 580 HH22 ARG 5 2HH2 ARG 5 4.936 -24.600 -8.759 581 H GLU 6 H GLU 6 7.336 -16.622 -10.005 582 HA GLU 6 HA GLU 6 8.420 -14.432 -8.696 583 HE2 GLU 6 HE2 GLU 6 10.412 -11.916 -13.341 584 HB2 GLU 6 1HB GLU 6 8.981 -15.635 -11.001 585 HB3 GLU 6 2HB GLU 6 8.059 -14.269 -11.649 586 HG2 GLU 6 1HG GLU 6 9.948 -13.328 -9.702 587 HG3 GLU 6 2HG GLU 6 10.762 -14.326 -10.916 588 H GLU 7 H GLU 7 5.390 -14.748 -10.357 589 HA GLU 7 HA GLU 7 4.784 -12.120 -10.980 590 HE2 GLU 7 HE2 GLU 7 -0.236 -11.411 -10.928 591 HB2 GLU 7 1HB GLU 7 3.430 -14.543 -10.975 592 HB3 GLU 7 2HB GLU 7 2.502 -13.535 -9.854 593 HG2 GLU 7 1HG GLU 7 3.284 -12.352 -12.468 594 HG3 GLU 7 2HG GLU 7 2.001 -13.572 -12.445 595 H ALA 8 H ALA 8 4.110 -13.845 -7.939 596 HA ALA 8 HA ALA 8 2.894 -11.797 -6.535 597 HB1 ALA 8 3HB ALA 8 4.295 -14.276 -5.842 598 HB2 ALA 8 1HB ALA 8 4.290 -13.055 -4.568 599 HB3 ALA 8 2HB ALA 8 2.767 -13.629 -5.247 600 H ALA 9 H ALA 9 6.247 -12.225 -7.342 601 HA ALA 9 HA ALA 9 7.357 -10.471 -5.416 602 HB1 ALA 9 3HB ALA 9 8.832 -10.553 -7.910 603 HB2 ALA 9 1HB ALA 9 9.295 -11.115 -6.303 604 HB3 ALA 9 2HB ALA 9 8.351 -12.161 -7.366 605 H LYS 10 H LYS 10 6.131 -9.997 -8.692 606 HA LYS 10 HA LYS 10 6.909 -7.240 -8.821 607 HB2 LYS 10 1HB LYS 10 4.810 -8.587 -10.523 608 HB3 LYS 10 2HB LYS 10 5.814 -7.186 -10.930 609 HG2 LYS 10 1HG LYS 10 7.710 -9.089 -10.447 610 HG3 LYS 10 2HG LYS 10 6.395 -10.043 -11.154 611 HD2 LYS 10 1HD LYS 10 7.294 -7.474 -12.431 612 HD3 LYS 10 2HD LYS 10 8.149 -8.997 -12.733 613 HE2 LYS 10 1HE LYS 10 6.647 -9.463 -14.314 614 HE3 LYS 10 2HE LYS 10 5.436 -9.602 -13.032 615 HZ1 LYS 10 3HZ LYS 10 5.412 -7.792 -15.069 616 HZ2 LYS 10 1HZ LYS 10 5.942 -6.880 -13.746 617 HZ3 LYS 10 2HZ LYS 10 4.473 -7.716 -13.664 618 H LEU 11 H LEU 11 4.054 -9.009 -7.847 619 HA LEU 11 HA LEU 11 2.114 -7.049 -7.911 620 HG LEU 11 HG LEU 11 2.228 -10.270 -7.933 621 HB2 LEU 11 1HB LEU 11 2.552 -9.181 -5.814 622 HB3 LEU 11 2HB LEU 11 1.060 -8.249 -6.025 623 HD11 LEU 11 1HD1 LEU 11 -0.357 -10.223 -6.381 624 HD12 LEU 11 2HD1 LEU 11 1.058 -11.202 -5.997 625 HD13 LEU 11 3HD1 LEU 11 0.169 -11.487 -7.494 626 HD21 LEU 11 3HD2 LEU 11 0.230 -9.830 -9.309 627 HD22 LEU 11 1HD2 LEU 11 1.309 -8.437 -9.216 628 HD23 LEU 11 2HD2 LEU 11 -0.171 -8.471 -8.258 629 H PHE 12 H PHE 12 4.453 -7.716 -5.321 630 HA PHE 12 HA PHE 12 3.558 -5.548 -3.687 631 HD1 PHE 12 HD2 PHE 12 2.805 -6.383 -2.007 632 HD2 PHE 12 HD1 PHE 12 5.886 -9.279 -2.502 633 HE1 PHE 12 HE2 PHE 12 1.466 -8.018 -0.746 634 HE2 PHE 12 HE1 PHE 12 4.552 -10.918 -1.243 635 HZ PHE 12 HZ PHE 12 2.339 -10.289 -0.362 636 HB2 PHE 12 1HB PHE 12 6.063 -7.247 -3.613 637 HB3 PHE 12 2HB PHE 12 5.674 -6.022 -2.403 638 H GLU 13 H GLU 13 5.759 -5.875 -6.318 639 HA GLU 13 HA GLU 13 7.489 -3.726 -5.820 640 HE2 GLU 13 HE2 GLU 13 9.688 -0.949 -8.137 641 HB2 GLU 13 1HB GLU 13 7.341 -5.619 -7.736 642 HB3 GLU 13 2HB GLU 13 6.708 -4.229 -8.631 643 HG2 GLU 13 1HG GLU 13 9.333 -4.219 -7.145 644 HG3 GLU 13 2HG GLU 13 9.161 -4.594 -8.865 645 H GLU 14 H GLU 14 4.274 -3.858 -7.225 646 HA GLU 14 HA GLU 14 4.267 -1.143 -8.125 647 HE2 GLU 14 HE2 GLU 14 1.516 -1.957 -12.090 648 HB2 GLU 14 1HB GLU 14 1.872 -2.898 -7.553 649 HB3 GLU 14 2HB GLU 14 1.941 -1.486 -8.619 650 HG2 GLU 14 1HG GLU 14 3.857 -3.040 -9.736 651 HG3 GLU 14 2HG GLU 14 2.744 -4.266 -9.112 652 H TRP 15 H TRP 15 3.410 -2.791 -5.172 653 HA TRP 15 HA TRP 15 1.818 -0.821 -3.979 654 HD1 TRP 15 HD1 TRP 15 1.143 -3.161 -5.049 655 HE1 TRP 15 HE1 TRP 15 -0.788 -4.766 -4.479 656 HE3 TRP 15 HE3 TRP 15 1.850 -3.518 0.001 657 HZ2 TRP 15 HZ2 TRP 15 -1.867 -6.017 -2.190 658 HZ3 TRP 15 HZ3 TRP 15 0.325 -4.938 1.309 659 HH2 TRP 15 HH2 TRP 15 -1.495 -6.161 0.234 660 HB2 TRP 15 1HB TRP 15 3.630 -2.944 -2.822 661 HB3 TRP 15 2HB TRP 15 2.669 -1.870 -1.802 662 H LYS 16 H LYS 16 5.317 -1.405 -3.635 663 HA LYS 16 HA LYS 16 5.778 0.912 -2.060 664 HB2 LYS 16 1HB LYS 16 7.306 -0.963 -1.966 665 HB3 LYS 16 2HB LYS 16 7.671 -0.789 -3.690 666 HG2 LYS 16 1HG LYS 16 8.936 1.134 -3.375 667 HG3 LYS 16 2HG LYS 16 8.205 1.460 -1.793 668 HD2 LYS 16 1HD LYS 16 9.619 0.077 -0.692 669 HD3 LYS 16 2HD LYS 16 9.644 -1.102 -2.015 670 HE2 LYS 16 1HE LYS 16 11.654 -0.347 -2.613 671 HE3 LYS 16 2HE LYS 16 10.905 1.207 -3.005 672 HZ1 LYS 16 3HZ LYS 16 11.146 1.405 -0.350 673 HZ2 LYS 16 1HZ LYS 16 12.305 1.968 -1.446 674 HZ3 LYS 16 2HZ LYS 16 12.500 0.459 -0.709 675 H LYS 17 H LYS 17 5.658 0.301 -5.485 676 HA LYS 17 HA LYS 17 7.030 2.632 -6.339 677 HB2 LYS 17 1HB LYS 17 5.685 0.406 -7.541 678 HB3 LYS 17 2HB LYS 17 5.093 1.901 -8.282 679 HG2 LYS 17 1HG LYS 17 6.954 1.046 -9.554 680 HG3 LYS 17 2HG LYS 17 7.411 2.565 -8.762 681 HD2 LYS 17 1HD LYS 17 7.999 0.371 -7.006 682 HD3 LYS 17 2HD LYS 17 8.710 0.065 -8.601 683 HE2 LYS 17 1HE LYS 17 9.029 2.721 -7.213 684 HE3 LYS 17 2HE LYS 17 10.115 1.361 -6.893 685 HZ1 LYS 17 3HZ LYS 17 10.265 1.343 -9.495 686 HZ2 LYS 17 1HZ LYS 17 11.225 2.389 -8.576 687 HZ3 LYS 17 2HZ LYS 17 9.823 2.967 -9.325 688 H LEU 18 H LEU 18 3.538 1.889 -6.290 689 HA LEU 18 HA LEU 18 2.614 4.405 -7.003 690 HG LEU 18 HG LEU 18 1.612 2.283 -8.010 691 HB2 LEU 18 1HB LEU 18 1.417 2.223 -5.308 692 HB3 LEU 18 2HB LEU 18 0.543 3.722 -5.668 693 HD11 LEU 18 1HD1 LEU 18 -0.598 0.860 -7.820 694 HD12 LEU 18 2HD1 LEU 18 -0.294 1.047 -6.094 695 HD13 LEU 18 3HD1 LEU 18 0.922 0.296 -7.127 696 HD21 LEU 18 3HD2 LEU 18 -0.684 3.979 -7.251 697 HD22 LEU 18 1HD2 LEU 18 -0.983 2.763 -8.494 698 HD23 LEU 18 2HD2 LEU 18 0.284 3.967 -8.726 699 H ALA 19 H ALA 19 3.297 3.106 -3.774 700 HA ALA 19 HA ALA 19 2.440 5.337 -2.300 701 HB1 ALA 19 3HB ALA 19 3.047 4.114 -0.536 702 HB2 ALA 19 1HB ALA 19 3.452 2.850 -1.698 703 HB3 ALA 19 2HB ALA 19 4.705 3.946 -1.115 704 H GLU 20 H GLU 20 5.477 4.615 -3.906 705 HA GLU 20 HA GLU 20 7.103 6.557 -2.739 706 HE2 GLU 20 HE2 GLU 20 9.818 3.513 -2.482 707 HB2 GLU 20 1HB GLU 20 7.521 4.643 -4.567 708 HB3 GLU 20 2HB GLU 20 7.427 6.043 -5.646 709 HG2 GLU 20 1HG GLU 20 9.582 6.373 -5.238 710 HG3 GLU 20 2HG GLU 20 9.096 6.895 -3.620 711 H GLU 21 H GLU 21 5.077 6.773 -5.656 712 HA GLU 21 HA GLU 21 5.659 9.539 -6.081 713 HE2 GLU 21 HE2 GLU 21 3.116 7.185 -10.620 714 HB2 GLU 21 1HB GLU 21 3.356 7.917 -7.189 715 HB3 GLU 21 2HB GLU 21 3.996 9.435 -7.836 716 HG2 GLU 21 1HG GLU 21 5.975 8.422 -8.595 717 HG3 GLU 21 2HG GLU 21 5.685 6.967 -7.632 718 H ALA 22 H ALA 22 2.824 7.775 -4.857 719 HA ALA 22 HA ALA 22 1.164 9.954 -4.377 720 HB1 ALA 22 3HB ALA 22 0.134 7.878 -4.217 721 HB2 ALA 22 1HB ALA 22 1.370 7.238 -3.134 722 HB3 ALA 22 2HB ALA 22 0.202 8.419 -2.541 723 H ALA 23 H ALA 23 3.863 8.720 -2.536 724 HA ALA 23 HA ALA 23 3.312 10.147 -0.133 725 HB1 ALA 23 3HB ALA 23 4.728 8.387 0.259 726 HB2 ALA 23 1HB ALA 23 5.647 8.653 -1.223 727 HB3 ALA 23 2HB ALA 23 5.884 9.715 0.165 728 H LYS 24 H LYS 24 5.675 10.701 -2.747 729 HA LYS 24 HA LYS 24 6.598 13.176 -1.786 730 HB2 LYS 24 1HB LYS 24 7.448 13.518 -4.104 731 HB3 LYS 24 2HB LYS 24 7.894 11.953 -3.404 732 HG2 LYS 24 1HG LYS 24 6.093 10.865 -4.661 733 HG3 LYS 24 2HG LYS 24 5.662 12.431 -5.371 734 HD2 LYS 24 1HD LYS 24 7.030 11.137 -6.922 735 HD3 LYS 24 2HD LYS 24 7.892 12.588 -6.382 736 HE2 LYS 24 1HE LYS 24 9.543 11.390 -5.458 737 HE3 LYS 24 2HE LYS 24 8.393 10.319 -4.644 738 HZ1 LYS 24 3HZ LYS 24 9.046 8.764 -6.066 739 HZ2 LYS 24 1HZ LYS 24 9.895 9.871 -7.024 740 HZ3 LYS 24 2HZ LYS 24 8.243 9.616 -7.287 741 H LEU 25 H LEU 25 3.904 12.313 -3.867 742 HA LEU 25 HA LEU 25 3.305 15.014 -4.618 743 HG LEU 25 HG LEU 25 3.386 13.501 -6.906 744 HB2 LEU 25 1HB LEU 25 2.210 12.332 -5.115 745 HB3 LEU 25 2HB LEU 25 1.001 13.627 -5.061 746 HD11 LEU 25 1HD1 LEU 25 1.896 12.981 -8.634 747 HD12 LEU 25 2HD1 LEU 25 0.484 13.394 -7.662 748 HD13 LEU 25 3HD1 LEU 25 1.408 11.937 -7.298 749 HD21 LEU 25 3HD2 LEU 25 2.040 15.749 -5.982 750 HD22 LEU 25 1HD2 LEU 25 1.319 15.417 -7.557 751 HD23 LEU 25 2HD2 LEU 25 3.063 15.642 -7.416 752 H LEU 26 H LEU 26 2.119 12.734 -2.202 753 HA LEU 26 HA LEU 26 -0.132 14.028 -1.292 754 HG LEU 26 HG LEU 26 -0.526 11.611 -1.076 755 HB2 LEU 26 1HB LEU 26 1.845 12.169 -0.152 756 HB3 LEU 26 2HB LEU 26 0.952 13.131 1.038 757 HD11 LEU 26 1HD1 LEU 26 -0.016 10.352 1.569 758 HD12 LEU 26 2HD1 LEU 26 1.220 10.222 0.318 759 HD13 LEU 26 3HD1 LEU 26 -0.406 9.610 0.018 760 HD21 LEU 26 3HD2 LEU 26 -2.112 12.777 0.025 761 HD22 LEU 26 1HD2 LEU 26 -1.114 12.986 1.464 762 HD23 LEU 26 2HD2 LEU 26 -1.966 11.465 1.195 763 H GLU 27 H GLU 27 3.221 14.546 -0.213 764 HA GLU 27 HA GLU 27 2.445 16.792 1.431 765 HE2 GLU 27 HE2 GLU 27 7.895 17.409 2.155 766 HB2 GLU 27 1HB GLU 27 4.410 15.049 1.740 767 HB3 GLU 27 2HB GLU 27 5.294 16.219 0.747 768 HG2 GLU 27 1HG GLU 27 3.982 17.732 2.712 769 HG3 GLU 27 2HG GLU 27 4.657 16.321 3.539 770 H GLY 28 H GLY 28 3.161 16.319 -1.827 771 HA2 GLY 28 1HA GLY 28 3.361 17.799 -3.573 772 HA3 GLY 28 2HA GLY 28 2.935 19.076 -2.444 773 H GLY 29 H GLY 29 5.649 17.093 -1.671 774 HA2 GLY 29 1HA GLY 29 7.919 17.474 -1.731 775 HA3 GLY 29 2HA GLY 29 7.635 18.631 -3.023 776 H GLY 30 H GLY 30 5.906 19.069 -0.071 777 HA2 GLY 30 1HA GLY 30 7.301 20.323 1.746 778 HA3 GLY 30 2HA GLY 30 7.494 21.482 0.440 779 H GLY 31 H GLY 31 4.905 21.295 -0.674 780 HA2 GLY 31 1HA GLY 31 3.479 22.926 1.255 781 HA3 GLY 31 2HA GLY 31 3.026 22.653 -0.422 782 H GLY 32 H GLY 32 3.101 21.123 2.777 783 HA2 GLY 32 1HA GLY 32 0.449 20.147 2.519 784 HA3 GLY 32 2HA GLY 32 1.600 18.854 2.217 785 H GLY 33 H GLY 33 0.970 17.694 4.050 786 HA2 GLY 33 1HA GLY 33 0.827 18.799 6.649 787 HA3 GLY 33 2HA GLY 33 0.984 17.091 6.266 788 H GLY 34 H GLY 34 3.251 16.436 5.536 789 HA2 GLY 34 1HA GLY 34 5.502 16.270 5.976 790 HA3 GLY 34 2HA GLY 34 5.485 17.990 6.335 791 H GLY 35 H GLY 35 3.763 15.314 7.917 792 HA2 GLY 35 1HA GLY 35 5.378 15.790 10.331 793 HA3 GLY 35 2HA GLY 35 3.624 15.857 10.435 794 H GLU 36 H GLU 36 4.208 14.149 12.096 795 HA GLU 36 HA GLU 36 5.172 11.631 11.445 796 HE2 GLU 36 HE2 GLU 36 4.767 9.754 16.571 797 HB2 GLU 36 1HB GLU 36 4.870 12.213 13.740 798 HB3 GLU 36 2HB GLU 36 3.137 12.485 13.502 799 HG2 GLU 36 1HG GLU 36 2.706 10.166 13.232 800 HG3 GLU 36 2HG GLU 36 4.435 9.801 13.138 801 H LEU 37 H LEU 37 2.025 13.039 10.896 802 HA LEU 37 HA LEU 37 0.482 10.780 10.451 803 HG LEU 37 HG LEU 37 1.289 13.657 8.290 804 HB2 LEU 37 1HB LEU 37 -1.047 12.154 9.356 805 HB3 LEU 37 2HB LEU 37 -0.196 13.242 10.466 806 HD11 LEU 37 1HD1 LEU 37 -0.545 13.858 6.429 807 HD12 LEU 37 2HD1 LEU 37 -1.289 12.529 7.317 808 HD13 LEU 37 3HD1 LEU 37 0.340 12.351 6.665 809 HD21 LEU 37 3HD2 LEU 37 -1.376 14.921 8.913 810 HD22 LEU 37 1HD2 LEU 37 -0.170 15.606 7.824 811 HD23 LEU 37 2HD2 LEU 37 0.202 15.403 9.536 812 H MET 38 H MET 38 2.906 12.269 8.424 813 HA MET 38 HA MET 38 2.228 10.893 6.028 814 HB2 MET 38 1HB MET 38 3.507 12.918 5.878 815 HB3 MET 38 2HB MET 38 4.768 12.255 6.928 816 HG2 MET 38 1HG MET 38 5.851 11.384 5.201 817 HG3 MET 38 2HG MET 38 4.396 10.536 4.672 818 HE1 MET 38 3HE MET 38 2.608 13.148 2.454 819 HE2 MET 38 1HE MET 38 2.934 11.415 2.407 820 HE3 MET 38 2HE MET 38 2.353 12.163 3.895 821 H LYS 39 H LYS 39 4.446 10.249 8.693 822 HA LYS 39 HA LYS 39 5.793 8.058 7.573 823 HB2 LYS 39 1HB LYS 39 6.441 9.318 9.650 824 HB3 LYS 39 2HB LYS 39 5.153 8.449 10.500 825 HG2 LYS 39 1HG LYS 39 6.318 6.307 9.695 826 HG3 LYS 39 2HG LYS 39 7.697 7.366 9.351 827 HD2 LYS 39 1HD LYS 39 6.390 7.541 12.033 828 HD3 LYS 39 2HD LYS 39 7.455 6.167 11.684 829 HE2 LYS 39 1HE LYS 39 9.296 7.646 11.163 830 HE3 LYS 39 2HE LYS 39 8.240 9.057 11.323 831 HZ1 LYS 39 3HZ LYS 39 7.988 8.622 13.653 832 HZ2 LYS 39 1HZ LYS 39 9.641 8.660 13.290 833 HZ3 LYS 39 2HZ LYS 39 8.863 7.179 13.536 834 H LEU 40 H LEU 40 2.646 8.343 9.022 835 HA LEU 40 HA LEU 40 2.153 5.679 9.700 836 HG LEU 40 HG LEU 40 0.758 6.881 11.534 837 HB2 LEU 40 1HB LEU 40 0.655 8.110 9.415 838 HB3 LEU 40 2HB LEU 40 -0.244 6.766 8.689 839 HD11 LEU 40 1HD1 LEU 40 -1.967 7.261 10.318 840 HD12 LEU 40 2HD1 LEU 40 -1.052 8.396 11.309 841 HD13 LEU 40 3HD1 LEU 40 -1.704 6.924 12.029 842 HD21 LEU 40 3HD2 LEU 40 -0.981 4.829 10.169 843 HD22 LEU 40 1HD2 LEU 40 -0.482 4.829 11.861 844 HD23 LEU 40 2HD2 LEU 40 0.719 4.606 10.588 845 H CYS 41 H CYS 41 1.244 7.387 6.702 846 HA CYS 41 HA CYS 41 0.462 4.978 5.382 847 HG CYS 41 HG CYS 41 1.023 8.755 2.773 848 HB2 CYS 41 1HB CYS 41 0.145 6.346 3.423 849 HB3 CYS 41 2HB CYS 41 -0.500 7.198 4.835 850 H GLU 42 H GLU 42 3.414 6.785 5.674 851 HA GLU 42 HA GLU 42 4.785 5.839 3.419 852 HE2 GLU 42 HE2 GLU 42 10.121 6.985 5.840 853 HB2 GLU 42 1HB GLU 42 5.535 7.719 4.860 854 HB3 GLU 42 2HB GLU 42 5.957 6.544 6.115 855 HG2 GLU 42 1HG GLU 42 7.438 5.462 4.292 856 HG3 GLU 42 2HG GLU 42 7.260 7.018 3.468 857 H GLU 43 H GLU 43 4.011 4.329 6.438 858 HA GLU 43 HA GLU 43 5.971 2.358 6.592 859 HE2 GLU 43 HE2 GLU 43 4.409 2.194 11.865 860 HB2 GLU 43 1HB GLU 43 3.050 2.084 7.341 861 HB3 GLU 43 2HB GLU 43 4.388 1.095 7.947 862 HG2 GLU 43 1HG GLU 43 5.102 3.762 8.471 863 HG3 GLU 43 2HG GLU 43 3.398 3.600 8.919 864 H ALA 44 H ALA 44 3.237 2.654 4.476 865 HA ALA 44 HA ALA 44 2.795 0.045 3.681 866 HB1 ALA 44 3HB ALA 44 2.816 2.108 1.554 867 HB2 ALA 44 1HB ALA 44 1.585 0.914 1.966 868 HB3 ALA 44 2HB ALA 44 1.754 2.377 2.937 869 H ALA 45 H ALA 45 5.247 2.322 2.504 870 HA ALA 45 HA ALA 45 6.328 0.487 0.591 871 HB1 ALA 45 3HB ALA 45 8.275 2.411 1.128 872 HB2 ALA 45 1HB ALA 45 7.094 2.423 -0.183 873 HB3 ALA 45 2HB ALA 45 6.732 3.240 1.338 874 H LYS 46 H LYS 46 6.818 1.109 3.955 875 HA LYS 46 HA LYS 46 9.428 -0.047 4.140 876 HB2 LYS 46 1HB LYS 46 7.618 1.322 5.863 877 HB3 LYS 46 2HB LYS 46 8.052 -0.211 6.634 878 HG2 LYS 46 1HG LYS 46 10.199 1.532 5.490 879 HG3 LYS 46 2HG LYS 46 9.485 1.911 7.068 880 HD2 LYS 46 1HD LYS 46 10.421 0.112 8.091 881 HD3 LYS 46 2HD LYS 46 10.292 -0.901 6.642 882 HE2 LYS 46 1HE LYS 46 12.133 0.669 5.676 883 HE3 LYS 46 2HE LYS 46 12.408 1.086 7.374 884 HZ1 LYS 46 3HZ LYS 46 13.533 -0.784 7.656 885 HZ2 LYS 46 1HZ LYS 46 13.380 -1.116 6.005 886 HZ3 LYS 46 2HZ LYS 46 12.240 -1.718 7.099 887 H LYS 47 H LYS 47 6.156 -1.189 4.940 888 HA LYS 47 HA LYS 47 7.001 -3.793 5.710 889 HB2 LYS 47 1HB LYS 47 4.340 -2.564 5.022 890 HB3 LYS 47 2HB LYS 47 4.492 -4.301 5.334 891 HG2 LYS 47 1HG LYS 47 5.363 -2.159 7.274 892 HG3 LYS 47 2HG LYS 47 3.780 -2.957 7.304 893 HD2 LYS 47 1HD LYS 47 5.087 -5.165 7.398 894 HD3 LYS 47 2HD LYS 47 6.491 -4.158 7.797 895 HE2 LYS 47 1HE LYS 47 5.005 -3.141 9.638 896 HE3 LYS 47 2HE LYS 47 3.952 -4.535 9.355 897 HZ1 LYS 47 3HZ LYS 47 6.477 -5.586 9.583 898 HZ2 LYS 47 1HZ LYS 47 5.253 -5.640 10.749 899 HZ3 LYS 47 2HZ LYS 47 6.404 -4.402 10.789 900 H ALA 48 H ALA 48 5.400 -2.559 2.776 901 HA ALA 48 HA ALA 48 5.232 -4.908 1.337 902 HB1 ALA 48 3HB ALA 48 5.697 -2.090 0.388 903 HB2 ALA 48 1HB ALA 48 5.368 -3.440 -0.699 904 HB3 ALA 48 2HB ALA 48 4.167 -2.958 0.499 905 H GLU 49 H GLU 49 7.984 -2.712 1.669 906 HA GLU 49 HA GLU 49 9.642 -4.034 -0.218 907 HE2 GLU 49 HE2 GLU 49 14.181 -2.855 2.921 908 HB2 GLU 49 1HB GLU 49 10.006 -1.704 0.507 909 HB3 GLU 49 2HB GLU 49 10.432 -2.290 2.122 910 HG2 GLU 49 1HG GLU 49 12.078 -3.713 0.363 911 HG3 GLU 49 2HG GLU 49 12.070 -2.044 -0.223 912 H GLU 50 H GLU 50 9.068 -4.434 3.219 913 HA GLU 50 HA GLU 50 11.268 -6.188 3.684 914 HE2 GLU 50 HE2 GLU 50 12.647 -5.902 8.399 915 HB2 GLU 50 1HB GLU 50 10.103 -4.838 5.445 916 HB3 GLU 50 2HB GLU 50 8.728 -5.944 5.299 917 HG2 GLU 50 1HG GLU 50 9.725 -7.013 7.000 918 HG3 GLU 50 2HG GLU 50 10.703 -7.719 5.705 919 H LEU 51 H LEU 51 7.771 -6.728 3.291 920 HA LEU 51 HA LEU 51 7.949 -9.555 3.384 921 HG LEU 51 HG LEU 51 6.316 -6.640 1.996 922 HB2 LEU 51 1HB LEU 51 5.646 -9.466 2.376 923 HB3 LEU 51 2HB LEU 51 5.863 -8.576 3.893 924 HD11 LEU 51 1HD1 LEU 51 5.422 -8.477 0.381 925 HD12 LEU 51 2HD1 LEU 51 4.847 -6.818 0.233 926 HD13 LEU 51 3HD1 LEU 51 3.851 -8.026 1.043 927 HD21 LEU 51 3HD2 LEU 51 3.802 -7.413 3.464 928 HD22 LEU 51 1HD2 LEU 51 4.012 -5.887 2.605 929 HD23 LEU 51 2HD2 LEU 51 5.044 -6.272 3.982 930 H PHE 52 H PHE 52 8.453 -7.226 0.889 931 HA PHE 52 HA PHE 52 7.924 -8.671 -1.412 932 HD1 PHE 52 HD2 PHE 52 8.383 -8.501 -3.568 933 HD2 PHE 52 HD1 PHE 52 11.641 -6.017 -2.415 934 HE1 PHE 52 HE2 PHE 52 9.400 -8.810 -5.788 935 HE2 PHE 52 HE1 PHE 52 12.662 -6.321 -4.632 936 HZ PHE 52 HZ PHE 52 11.542 -7.719 -6.322 937 HB2 PHE 52 1HB PHE 52 8.491 -6.352 -1.579 938 HB3 PHE 52 2HB PHE 52 10.068 -6.626 -0.834 939 H LYS 53 H LYS 53 10.607 -8.917 0.810 940 HA LYS 53 HA LYS 53 12.382 -10.387 -0.794 941 HB2 LYS 53 1HB LYS 53 11.986 -10.059 2.159 942 HB3 LYS 53 2HB LYS 53 13.116 -11.285 1.562 943 HG2 LYS 53 1HG LYS 53 14.690 -9.761 1.243 944 HG3 LYS 53 2HG LYS 53 13.604 -8.819 0.206 945 HD2 LYS 53 1HD LYS 53 14.191 -7.352 1.951 946 HD3 LYS 53 2HD LYS 53 12.567 -7.933 2.360 947 HE2 LYS 53 1HE LYS 53 13.481 -8.340 4.384 948 HE3 LYS 53 2HE LYS 53 14.079 -9.804 3.592 949 HZ1 LYS 53 3HZ LYS 53 15.771 -7.502 3.215 950 HZ2 LYS 53 1HZ LYS 53 16.176 -9.082 3.667 951 HZ3 LYS 53 2HZ LYS 53 15.628 -7.983 4.831 952 H LEU 54 H LEU 54 9.593 -11.344 1.094 953 HA LEU 54 HA LEU 54 9.995 -14.084 1.269 954 HG LEU 54 HG LEU 54 7.684 -15.409 1.536 955 HB2 LEU 54 1HB LEU 54 8.074 -12.477 2.124 956 HB3 LEU 54 2HB LEU 54 7.269 -13.060 0.658 957 HD11 LEU 54 1HD1 LEU 54 7.804 -15.375 4.112 958 HD12 LEU 54 2HD1 LEU 54 8.516 -13.775 3.903 959 HD13 LEU 54 3HD1 LEU 54 9.296 -15.187 3.191 960 HD21 LEU 54 3HD2 LEU 54 5.927 -14.039 3.480 961 HD22 LEU 54 1HD2 LEU 54 5.602 -15.415 2.424 962 HD23 LEU 54 2HD2 LEU 54 5.575 -13.776 1.771 963 H ALA 55 H ALA 55 9.195 -12.130 -1.471 964 HA ALA 55 HA ALA 55 7.973 -13.956 -3.165 965 HB1 ALA 55 3HB ALA 55 8.658 -11.403 -3.435 966 HB2 ALA 55 1HB ALA 55 9.980 -12.126 -4.352 967 HB3 ALA 55 2HB ALA 55 8.308 -12.435 -4.820 968 H GLU 56 H GLU 56 11.357 -13.601 -2.305 969 HA GLU 56 HA GLU 56 12.425 -15.263 -4.327 970 HE2 GLU 56 HE2 GLU 56 16.271 -11.275 -1.985 971 HB2 GLU 56 1HB GLU 56 13.587 -14.845 -1.569 972 HB3 GLU 56 2HB GLU 56 14.452 -15.253 -3.059 973 HG2 GLU 56 1HG GLU 56 13.824 -13.050 -3.997 974 HG3 GLU 56 2HG GLU 56 13.079 -12.647 -2.443 975 H GLU 57 H GLU 57 11.144 -15.902 -1.115 976 HA GLU 57 HA GLU 57 12.014 -18.545 -0.818 977 HE2 GLU 57 HE2 GLU 57 11.306 -18.824 4.213 978 HB2 GLU 57 1HB GLU 57 10.982 -17.110 0.959 979 HB3 GLU 57 2HB GLU 57 9.410 -17.403 0.199 980 HG2 GLU 57 1HG GLU 57 9.288 -19.560 0.913 981 HG3 GLU 57 2HG GLU 57 11.045 -19.767 0.913 982 H ARG 58 H ARG 58 8.995 -17.270 -2.195 983 HA ARG 58 HA ARG 58 8.060 -19.886 -2.940 984 HE ARG 58 HE ARG 58 4.171 -16.493 -2.262 985 HB2 ARG 58 1HB ARG 58 7.030 -17.197 -3.868 986 HB3 ARG 58 2HB ARG 58 6.171 -18.744 -3.905 987 HG2 ARG 58 1HG ARG 58 5.312 -18.310 -1.912 988 HG3 ARG 58 2HG ARG 58 6.947 -18.309 -1.231 989 HD2 ARG 58 1HD ARG 58 6.374 -16.186 -0.654 990 HD3 ARG 58 2HD ARG 58 6.951 -15.862 -2.295 991 HH11 ARG 58 1HH1 ARG 58 6.471 -13.950 -1.659 992 HH12 ARG 58 2HH1 ARG 58 5.341 -12.675 -1.975 993 HH21 ARG 58 1HH2 ARG 58 2.675 -14.824 -2.681 994 HH22 ARG 58 2HH2 ARG 58 3.182 -13.174 -2.555 995 H LEU 59 H LEU 59 9.845 -17.304 -4.446 996 HA LEU 59 HA LEU 59 9.497 -18.217 -7.134 997 HG LEU 59 HG LEU 59 12.278 -17.096 -8.195 998 HB2 LEU 59 1HB LEU 59 10.022 -15.880 -6.586 999 HB3 LEU 59 2HB LEU 59 11.595 -16.401 -5.956 1000 HD11 LEU 59 1HD1 LEU 59 10.476 -17.756 -9.420 1001 HD12 LEU 59 2HD1 LEU 59 10.658 -16.117 -10.042 1002 HD13 LEU 59 3HD1 LEU 59 9.444 -16.463 -8.811 1003 HD21 LEU 59 3HD2 LEU 59 12.756 -14.978 -8.987 1004 HD22 LEU 59 1HD2 LEU 59 12.414 -14.669 -7.285 1005 HD23 LEU 59 2HD2 LEU 59 11.188 -14.329 -8.507 1006 H LYS 60 H LYS 60 12.472 -18.045 -5.174 1007 HA LYS 60 HA LYS 60 13.389 -20.493 -6.531 1008 HB2 LYS 60 1HB LYS 60 15.671 -19.521 -5.507 1009 HB3 LYS 60 2HB LYS 60 15.059 -19.062 -7.104 1010 HG2 LYS 60 1HG LYS 60 14.153 -17.450 -4.778 1011 HG3 LYS 60 2HG LYS 60 15.832 -17.268 -5.315 1012 HD2 LYS 60 1HD LYS 60 14.158 -17.274 -7.626 1013 HD3 LYS 60 2HD LYS 60 13.487 -16.136 -6.444 1014 HE2 LYS 60 1HE LYS 60 14.973 -14.683 -7.314 1015 HE3 LYS 60 2HE LYS 60 16.133 -15.543 -6.293 1016 HZ1 LYS 60 3HZ LYS 60 16.353 -17.088 -8.332 1017 HZ2 LYS 60 1HZ LYS 60 17.142 -15.590 -8.345 1018 HZ3 LYS 60 2HZ LYS 60 15.691 -15.789 -9.192 1019 H LYS 61 H LYS 61 14.439 -18.867 -3.554 1020 HA LYS 61 HA LYS 61 13.336 -20.643 -1.715 1021 HB2 LYS 61 1HB LYS 61 15.536 -21.756 -3.163 1022 HB3 LYS 61 2HB LYS 61 16.034 -21.506 -1.482 1023 HG2 LYS 61 1HG LYS 61 14.679 -23.116 -0.684 1024 HG3 LYS 61 2HG LYS 61 13.389 -22.743 -1.842 1025 HD2 LYS 61 1HD LYS 61 14.240 -24.123 -3.469 1026 HD3 LYS 61 2HD LYS 61 15.902 -23.962 -2.875 1027 HE2 LYS 61 1HE LYS 61 15.601 -25.533 -1.183 1028 HE3 LYS 61 2HE LYS 61 13.842 -25.345 -1.203 1029 HZ1 LYS 61 3HZ LYS 61 13.613 -26.829 -2.852 1030 HZ2 LYS 61 1HZ LYS 61 15.135 -27.374 -2.354 1031 HZ3 LYS 61 2HZ LYS 61 15.003 -26.322 -3.672 1032 H LEU 62 H LEU 62 16.038 -18.586 -2.581 1033 HA LEU 62 HA LEU 62 17.106 -16.918 -1.464 1034 HG LEU 62 HG LEU 62 16.683 -14.862 -0.256 1035 HB2 LEU 62 1HB LEU 62 14.693 -16.360 -0.895 1036 HB3 LEU 62 2HB LEU 62 14.987 -17.166 0.655 1037 HD11 LEU 62 1HD1 LEU 62 14.825 -13.976 1.662 1038 HD12 LEU 62 2HD1 LEU 62 13.901 -14.779 0.394 1039 HD13 LEU 62 3HD1 LEU 62 14.990 -13.453 -0.014 1040 HD21 LEU 62 3HD2 LEU 62 17.752 -15.697 1.559 1041 HD22 LEU 62 1HD2 LEU 62 16.293 -16.436 2.219 1042 HD23 LEU 62 2HD2 LEU 62 16.565 -14.703 2.406 1043 HC1 HLT 101 HC1 HLT 101 -1.601 1.276 -1.565 Start of MODEL 9 1 HA MET 1 HA MET 1 -14.990 26.048 -1.520 2 H1 MET 1 1H MET 1 -16.785 25.905 0.448 3 HB2 MET 1 1HB MET 1 -14.496 26.578 1.415 4 HB3 MET 1 2HB MET 1 -13.360 27.047 0.140 5 HG2 MET 1 1HG MET 1 -14.610 28.792 -0.539 6 HG3 MET 1 2HG MET 1 -16.127 27.928 -0.280 7 HE1 MET 1 3HE MET 1 -17.176 27.544 2.214 8 HE2 MET 1 1HE MET 1 -17.435 29.116 2.970 9 HE3 MET 1 2HE MET 1 -17.763 28.901 1.251 10 H LYS 2 H LYS 2 -13.593 24.699 -2.417 11 HA LYS 2 HA LYS 2 -12.196 22.760 -0.691 12 HB2 LYS 2 1HB LYS 2 -12.192 21.192 -2.599 13 HB3 LYS 2 2HB LYS 2 -13.829 21.587 -2.050 14 HG2 LYS 2 1HG LYS 2 -13.974 23.266 -3.897 15 HG3 LYS 2 2HG LYS 2 -12.425 22.642 -4.493 16 HD2 LYS 2 1HD LYS 2 -13.320 20.564 -5.059 17 HD3 LYS 2 2HD LYS 2 -14.718 20.779 -3.990 18 HE2 LYS 2 1HE LYS 2 -15.917 21.851 -5.563 19 HE3 LYS 2 2HE LYS 2 -14.525 22.816 -6.076 20 HZ1 LYS 2 3HZ LYS 2 -13.922 21.299 -7.639 21 HZ2 LYS 2 1HZ LYS 2 -15.589 21.012 -7.635 22 HZ3 LYS 2 2HZ LYS 2 -14.551 19.979 -6.789 23 H LYS 3 H LYS 3 -10.194 21.858 -1.879 24 HA LYS 3 HA LYS 3 -8.901 23.676 -3.704 25 HB2 LYS 3 1HB LYS 3 -8.137 23.511 -0.805 26 HB3 LYS 3 2HB LYS 3 -6.900 23.831 -2.032 27 HG2 LYS 3 1HG LYS 3 -8.804 25.636 -2.742 28 HG3 LYS 3 2HG LYS 3 -9.008 25.576 -0.983 29 HD2 LYS 3 1HD LYS 3 -7.321 27.050 -0.894 30 HD3 LYS 3 2HD LYS 3 -6.277 25.666 -1.260 31 HE2 LYS 3 1HE LYS 3 -6.602 26.155 -3.701 32 HE3 LYS 3 2HE LYS 3 -7.452 27.630 -3.221 33 HZ1 LYS 3 3HZ LYS 3 -4.710 27.265 -3.512 34 HZ2 LYS 3 1HZ LYS 3 -4.993 27.508 -1.862 35 HZ3 LYS 3 2HZ LYS 3 -5.521 28.655 -2.988 36 H LEU 4 H LEU 4 -9.537 21.112 -4.189 37 HA LEU 4 HA LEU 4 -8.697 19.130 -4.919 38 HG LEU 4 HG LEU 4 -6.203 20.678 -7.167 39 HB2 LEU 4 1HB LEU 4 -6.034 20.529 -4.608 40 HB3 LEU 4 2HB LEU 4 -6.335 19.042 -5.525 41 HD11 LEU 4 1HD1 LEU 4 -8.233 19.294 -7.365 42 HD12 LEU 4 2HD1 LEU 4 -8.423 20.890 -8.090 43 HD13 LEU 4 3HD1 LEU 4 -9.144 20.545 -6.518 44 HD21 LEU 4 3HD2 LEU 4 -6.342 22.542 -5.411 45 HD22 LEU 4 1HD2 LEU 4 -8.079 22.512 -5.713 46 HD23 LEU 4 2HD2 LEU 4 -6.962 22.882 -7.028 47 H ARG 5 H ARG 5 -8.783 19.902 -1.949 48 HA ARG 5 HA ARG 5 -6.748 18.351 -0.686 49 HE ARG 5 HE ARG 5 -7.512 22.198 2.569 50 HB2 ARG 5 1HB ARG 5 -9.413 19.261 0.424 51 HB3 ARG 5 2HB ARG 5 -8.018 18.709 1.363 52 HG2 ARG 5 1HG ARG 5 -6.936 20.679 1.199 53 HG3 ARG 5 2HG ARG 5 -7.507 20.966 -0.454 54 HD2 ARG 5 1HD ARG 5 -9.222 22.225 0.243 55 HD3 ARG 5 2HD ARG 5 -9.677 21.031 1.467 56 HH11 ARG 5 1HH1 ARG 5 -10.425 23.474 1.152 57 HH12 ARG 5 2HH1 ARG 5 -10.446 24.889 2.153 58 HH21 ARG 5 1HH2 ARG 5 -7.529 24.056 3.892 59 HH22 ARG 5 2HH2 ARG 5 -8.798 25.219 3.710 60 H GLU 6 H GLU 6 -10.122 17.775 -1.574 61 HA GLU 6 HA GLU 6 -10.541 15.345 -0.313 62 HE2 GLU 6 HE2 GLU 6 -15.597 13.923 -2.169 63 HB2 GLU 6 1HB GLU 6 -12.376 16.451 -1.361 64 HB3 GLU 6 2HB GLU 6 -11.580 16.397 -2.942 65 HG2 GLU 6 1HG GLU 6 -12.042 14.166 -3.271 66 HG3 GLU 6 2HG GLU 6 -12.213 13.846 -1.539 67 H GLU 7 H GLU 7 -8.711 16.076 -3.193 68 HA GLU 7 HA GLU 7 -8.534 13.566 -4.368 69 HE2 GLU 7 HE2 GLU 7 -4.190 14.413 -7.394 70 HB2 GLU 7 1HB GLU 7 -7.285 16.081 -4.669 71 HB3 GLU 7 2HB GLU 7 -5.985 14.892 -4.500 72 HG2 GLU 7 1HG GLU 7 -7.978 13.867 -6.285 73 HG3 GLU 7 2HG GLU 7 -7.495 15.493 -6.790 74 H ALA 8 H ALA 8 -6.412 15.004 -1.898 75 HA ALA 8 HA ALA 8 -4.631 12.900 -1.595 76 HB1 ALA 8 3HB ALA 8 -4.727 13.840 0.925 77 HB2 ALA 8 1HB ALA 8 -3.878 14.652 -0.391 78 HB3 ALA 8 2HB ALA 8 -5.499 15.174 0.066 79 H ALA 9 H ALA 9 -7.912 13.212 -0.487 80 HA ALA 9 HA ALA 9 -7.799 11.112 1.450 81 HB1 ALA 9 3HB ALA 9 -10.452 11.482 0.475 82 HB2 ALA 9 1HB ALA 9 -9.761 11.965 2.025 83 HB3 ALA 9 2HB ALA 9 -9.678 13.058 0.642 84 H LYS 10 H LYS 10 -8.689 11.331 -1.954 85 HA LYS 10 HA LYS 10 -9.698 8.676 -2.158 86 HB2 LYS 10 1HB LYS 10 -8.558 10.314 -4.425 87 HB3 LYS 10 2HB LYS 10 -9.804 9.058 -4.502 88 HG2 LYS 10 1HG LYS 10 -10.902 10.900 -2.771 89 HG3 LYS 10 2HG LYS 10 -10.056 11.903 -3.964 90 HD2 LYS 10 1HD LYS 10 -11.633 9.650 -5.060 91 HD3 LYS 10 2HD LYS 10 -12.558 10.961 -4.309 92 HE2 LYS 10 1HE LYS 10 -11.960 12.497 -5.892 93 HE3 LYS 10 2HE LYS 10 -10.385 11.738 -6.169 94 HZ1 LYS 10 3HZ LYS 10 -12.010 11.536 -8.036 95 HZ2 LYS 10 1HZ LYS 10 -12.938 10.517 -7.053 96 HZ3 LYS 10 2HZ LYS 10 -11.369 10.066 -7.498 97 H LEU 11 H LEU 11 -6.533 10.113 -2.389 98 HA LEU 11 HA LEU 11 -5.120 8.224 -3.816 99 HG LEU 11 HG LEU 11 -4.786 11.333 -3.121 100 HB2 LEU 11 1HB LEU 11 -4.262 9.773 -1.367 101 HB3 LEU 11 2HB LEU 11 -3.163 8.886 -2.438 102 HD11 LEU 11 1HD1 LEU 11 -1.863 10.785 -2.720 103 HD12 LEU 11 2HD1 LEU 11 -2.877 11.996 -1.937 104 HD13 LEU 11 3HD1 LEU 11 -2.439 12.178 -3.634 105 HD21 LEU 11 3HD2 LEU 11 -4.787 9.824 -5.021 106 HD22 LEU 11 1HD2 LEU 11 -3.039 9.628 -4.893 107 HD23 LEU 11 2HD2 LEU 11 -3.721 11.195 -5.332 108 H PHE 12 H PHE 12 -5.932 8.199 -0.362 109 HA PHE 12 HA PHE 12 -4.628 5.704 0.137 110 HD1 PHE 12 HD2 PHE 12 -3.088 6.255 1.452 111 HD2 PHE 12 HD1 PHE 12 -5.924 9.050 2.959 112 HE1 PHE 12 HE2 PHE 12 -1.251 7.695 2.230 113 HE2 PHE 12 HE1 PHE 12 -4.090 10.495 3.737 114 HZ PHE 12 HZ PHE 12 -1.751 9.818 3.374 115 HB2 PHE 12 1HB PHE 12 -6.687 7.228 1.756 116 HB3 PHE 12 2HB PHE 12 -5.798 5.816 2.331 117 H GLU 13 H GLU 13 -7.820 6.685 -0.848 118 HA GLU 13 HA GLU 13 -9.267 4.386 -0.178 119 HE2 GLU 13 HE2 GLU 13 -14.226 5.115 -2.702 120 HB2 GLU 13 1HB GLU 13 -9.833 6.778 -1.404 121 HB3 GLU 13 2HB GLU 13 -10.029 5.619 -2.728 122 HG2 GLU 13 1HG GLU 13 -11.393 4.327 -0.808 123 HG3 GLU 13 2HG GLU 13 -11.642 6.002 -0.293 124 H GLU 14 H GLU 14 -7.216 5.112 -2.941 125 HA GLU 14 HA GLU 14 -7.919 2.750 -4.399 126 HE2 GLU 14 HE2 GLU 14 -6.308 5.385 -8.721 127 HB2 GLU 14 1HB GLU 14 -5.420 4.411 -4.746 128 HB3 GLU 14 2HB GLU 14 -6.218 3.386 -5.948 129 HG2 GLU 14 1HG GLU 14 -8.191 5.183 -5.211 130 HG3 GLU 14 2HG GLU 14 -6.712 6.152 -5.248 131 H TRP 15 H TRP 15 -5.435 3.629 -2.091 132 HA TRP 15 HA TRP 15 -3.694 1.465 -2.481 133 HD1 TRP 15 HD1 TRP 15 -2.532 3.155 -3.316 134 HE1 TRP 15 HE1 TRP 15 -0.079 3.936 -3.338 135 HE3 TRP 15 HE3 TRP 15 -1.604 3.062 1.711 136 HZ2 TRP 15 HZ2 TRP 15 1.977 4.444 -1.473 137 HZ3 TRP 15 HZ3 TRP 15 0.631 3.709 2.509 138 HH2 TRP 15 HH2 TRP 15 2.383 4.386 0.950 139 HB2 TRP 15 1HB TRP 15 -4.173 3.485 -0.379 140 HB3 TRP 15 2HB TRP 15 -3.429 1.989 0.184 141 H LYS 16 H LYS 16 -6.464 1.848 -0.294 142 HA LYS 16 HA LYS 16 -6.215 -0.811 0.762 143 HB2 LYS 16 1HB LYS 16 -7.153 0.846 2.201 144 HB3 LYS 16 2HB LYS 16 -8.360 1.300 0.987 145 HG2 LYS 16 1HG LYS 16 -8.448 -1.524 1.794 146 HG3 LYS 16 2HG LYS 16 -8.819 -0.362 3.080 147 HD2 LYS 16 1HD LYS 16 -10.755 0.315 2.114 148 HD3 LYS 16 2HD LYS 16 -10.106 0.150 0.473 149 HE2 LYS 16 1HE LYS 16 -10.707 -2.050 0.292 150 HE3 LYS 16 2HE LYS 16 -10.524 -2.342 2.028 151 HZ1 LYS 16 3HZ LYS 16 -12.859 -1.611 0.556 152 HZ2 LYS 16 1HZ LYS 16 -12.596 -0.574 1.866 153 HZ3 LYS 16 2HZ LYS 16 -12.727 -2.240 2.120 154 H LYS 17 H LYS 17 -7.894 0.698 -1.876 155 HA LYS 17 HA LYS 17 -9.815 -1.365 -2.298 156 HB2 LYS 17 1HB LYS 17 -8.852 1.026 -3.792 157 HB3 LYS 17 2HB LYS 17 -9.687 -0.232 -4.716 158 HG2 LYS 17 1HG LYS 17 -10.995 0.644 -2.209 159 HG3 LYS 17 2HG LYS 17 -10.951 1.810 -3.544 160 HD2 LYS 17 1HD LYS 17 -12.237 0.484 -4.940 161 HD3 LYS 17 2HD LYS 17 -11.799 -1.004 -4.084 162 HE2 LYS 17 1HE LYS 17 -13.708 -0.872 -2.941 163 HE3 LYS 17 2HE LYS 17 -13.103 0.615 -2.197 164 HZ1 LYS 17 3HZ LYS 17 -15.026 1.359 -3.141 165 HZ2 LYS 17 1HZ LYS 17 -14.948 0.291 -4.451 166 HZ3 LYS 17 2HZ LYS 17 -13.957 1.662 -4.417 167 H LEU 18 H LEU 18 -6.783 -0.525 -3.975 168 HA LEU 18 HA LEU 18 -6.735 -2.626 -5.784 169 HG LEU 18 HG LEU 18 -6.000 -0.019 -6.260 170 HB2 LEU 18 1HB LEU 18 -4.520 -1.102 -4.423 171 HB3 LEU 18 2HB LEU 18 -4.206 -2.341 -5.649 172 HD11 LEU 18 1HD1 LEU 18 -4.055 1.082 -5.475 173 HD12 LEU 18 2HD1 LEU 18 -3.952 1.071 -7.235 174 HD13 LEU 18 3HD1 LEU 18 -2.992 -0.066 -6.289 175 HD21 LEU 18 3HD2 LEU 18 -5.795 -0.670 -8.418 176 HD22 LEU 18 1HD2 LEU 18 -5.474 -2.234 -7.668 177 HD23 LEU 18 2HD2 LEU 18 -4.133 -1.224 -8.211 178 H ALA 19 H ALA 19 -5.994 -2.589 -2.383 179 HA ALA 19 HA ALA 19 -4.542 -5.010 -2.248 180 HB1 ALA 19 3HB ALA 19 -4.307 -4.374 -0.136 181 HB2 ALA 19 1HB ALA 19 -5.419 -3.038 -0.439 182 HB3 ALA 19 2HB ALA 19 -6.034 -4.582 0.152 183 H GLU 20 H GLU 20 -7.975 -4.267 -2.200 184 HA GLU 20 HA GLU 20 -8.988 -6.689 -1.280 185 HE2 GLU 20 HE2 GLU 20 -14.048 -4.122 -1.678 186 HB2 GLU 20 1HB GLU 20 -10.110 -4.381 -2.053 187 HB3 GLU 20 2HB GLU 20 -10.438 -5.349 -3.498 188 HG2 GLU 20 1HG GLU 20 -11.914 -6.712 -2.445 189 HG3 GLU 20 2HG GLU 20 -11.088 -6.572 -0.886 190 H GLU 21 H GLU 21 -8.278 -5.696 -4.622 191 HA GLU 21 HA GLU 21 -8.955 -8.247 -5.719 192 HE2 GLU 21 HE2 GLU 21 -12.018 -6.725 -8.796 193 HB2 GLU 21 1HB GLU 21 -7.291 -6.055 -6.976 194 HB3 GLU 21 2HB GLU 21 -8.130 -7.370 -7.815 195 HG2 GLU 21 1HG GLU 21 -9.977 -5.867 -6.188 196 HG3 GLU 21 2HG GLU 21 -9.092 -4.806 -7.294 197 H ALA 22 H ALA 22 -5.869 -6.550 -5.194 198 HA ALA 22 HA ALA 22 -4.141 -8.509 -6.110 199 HB1 ALA 22 3HB ALA 22 -3.529 -6.808 -3.711 200 HB2 ALA 22 1HB ALA 22 -2.424 -7.397 -4.954 201 HB3 ALA 22 2HB ALA 22 -3.602 -6.143 -5.342 202 H ALA 23 H ALA 23 -5.903 -8.330 -3.099 203 HA ALA 23 HA ALA 23 -4.424 -10.333 -1.719 204 HB1 ALA 23 3HB ALA 23 -6.692 -10.414 -0.387 205 HB2 ALA 23 1HB ALA 23 -5.598 -9.037 -0.246 206 HB3 ALA 23 2HB ALA 23 -7.016 -8.935 -1.291 207 H LYS 24 H LYS 24 -7.614 -10.399 -3.315 208 HA LYS 24 HA LYS 24 -8.010 -13.175 -3.011 209 HB2 LYS 24 1HB LYS 24 -9.744 -12.897 -4.779 210 HB3 LYS 24 2HB LYS 24 -9.891 -11.741 -3.446 211 HG2 LYS 24 1HG LYS 24 -8.817 -10.013 -4.805 212 HG3 LYS 24 2HG LYS 24 -8.672 -11.168 -6.140 213 HD2 LYS 24 1HD LYS 24 -11.373 -11.246 -5.347 214 HD3 LYS 24 2HD LYS 24 -10.914 -9.534 -5.387 215 HE2 LYS 24 1HE LYS 24 -11.329 -9.653 -7.592 216 HE3 LYS 24 2HE LYS 24 -9.768 -10.483 -7.682 217 HZ1 LYS 24 3HZ LYS 24 -11.896 -11.561 -8.691 218 HZ2 LYS 24 1HZ LYS 24 -12.172 -12.063 -7.099 219 HZ3 LYS 24 2HZ LYS 24 -10.752 -12.521 -7.896 220 H LEU 25 H LEU 25 -6.412 -11.255 -5.468 221 HA LEU 25 HA LEU 25 -6.151 -13.411 -7.341 222 HG LEU 25 HG LEU 25 -7.086 -11.346 -8.836 223 HB2 LEU 25 1HB LEU 25 -5.462 -10.581 -7.197 224 HB3 LEU 25 2HB LEU 25 -4.202 -11.557 -7.973 225 HD11 LEU 25 1HD1 LEU 25 -5.362 -9.448 -9.257 226 HD12 LEU 25 2HD1 LEU 25 -6.380 -10.014 -10.580 227 HD13 LEU 25 3HD1 LEU 25 -4.708 -10.558 -10.461 228 HD21 LEU 25 3HD2 LEU 25 -4.805 -13.012 -9.877 229 HD22 LEU 25 1HD2 LEU 25 -6.261 -12.663 -10.811 230 HD23 LEU 25 2HD2 LEU 25 -6.377 -13.564 -9.299 231 H LEU 26 H LEU 26 -4.082 -11.910 -4.903 232 HA LEU 26 HA LEU 26 -1.663 -13.101 -5.454 233 HG LEU 26 HG LEU 26 -1.260 -10.825 -4.571 234 HB2 LEU 26 1HB LEU 26 -2.991 -12.033 -3.047 235 HB3 LEU 26 2HB LEU 26 -1.661 -13.164 -2.745 236 HD11 LEU 26 1HD1 LEU 26 -0.912 -9.329 -2.878 237 HD12 LEU 26 2HD1 LEU 26 -0.593 -10.585 -1.682 238 HD13 LEU 26 3HD1 LEU 26 -2.247 -10.261 -2.199 239 HD21 LEU 26 3HD2 LEU 26 1.052 -11.053 -3.736 240 HD22 LEU 26 1HD2 LEU 26 0.466 -12.514 -4.531 241 HD23 LEU 26 2HD2 LEU 26 0.544 -12.439 -2.771 242 H GLU 27 H GLU 27 -4.279 -14.400 -3.420 243 HA GLU 27 HA GLU 27 -2.915 -16.978 -3.300 244 HE2 GLU 27 HE2 GLU 27 -1.481 -17.038 1.128 245 HB2 GLU 27 1HB GLU 27 -5.511 -16.110 -2.004 246 HB3 GLU 27 2HB GLU 27 -4.611 -17.597 -1.667 247 HG2 GLU 27 1HG GLU 27 -3.323 -14.919 -1.277 248 HG3 GLU 27 2HG GLU 27 -4.400 -15.600 -0.049 249 H GLY 28 H GLY 28 -4.519 -15.645 -5.637 250 HA2 GLY 28 1HA GLY 28 -6.776 -17.207 -6.179 251 HA3 GLY 28 2HA GLY 28 -5.791 -16.402 -7.391 252 H GLY 29 H GLY 29 -3.499 -18.124 -6.128 253 HA2 GLY 29 1HA GLY 29 -3.488 -20.707 -6.256 254 HA3 GLY 29 2HA GLY 29 -4.001 -20.410 -7.910 255 H GLY 30 H GLY 30 -1.572 -18.789 -5.874 256 HA2 GLY 30 1HA GLY 30 0.668 -19.937 -7.167 257 HA3 GLY 30 2HA GLY 30 0.279 -18.398 -7.921 258 H GLY 31 H GLY 31 -0.157 -19.151 -4.507 259 HA2 GLY 31 1HA GLY 31 2.085 -17.330 -3.891 260 HA3 GLY 31 2HA GLY 31 0.528 -17.160 -3.095 261 H GLY 32 H GLY 32 0.492 -17.956 -1.109 262 HA2 GLY 32 1HA GLY 32 2.317 -20.185 -0.473 263 HA3 GLY 32 2HA GLY 32 1.757 -18.987 0.685 264 H GLY 33 H GLY 33 -0.804 -18.922 0.721 265 HA2 GLY 33 1HA GLY 33 -2.540 -20.872 0.204 266 HA3 GLY 33 2HA GLY 33 -1.582 -21.628 1.468 267 H GLY 34 H GLY 34 -1.208 -19.951 3.388 268 HA2 GLY 34 1HA GLY 34 -3.163 -18.057 4.011 269 HA3 GLY 34 2HA GLY 34 -3.743 -19.612 4.590 270 H GLY 35 H GLY 35 -1.147 -17.242 4.859 271 HA2 GLY 35 1HA GLY 35 -0.764 -18.098 7.638 272 HA3 GLY 35 2HA GLY 35 0.641 -18.063 6.584 273 H GLU 36 H GLU 36 1.619 -16.507 7.952 274 HA GLU 36 HA GLU 36 0.374 -13.988 8.471 275 HE2 GLU 36 HE2 GLU 36 6.184 -15.739 10.339 276 HB2 GLU 36 1HB GLU 36 2.373 -13.368 9.553 277 HB3 GLU 36 2HB GLU 36 2.205 -15.106 9.848 278 HG2 GLU 36 1HG GLU 36 3.667 -15.034 7.521 279 HG3 GLU 36 2HG GLU 36 4.283 -13.645 8.430 280 H LEU 37 H LEU 37 1.867 -15.312 5.757 281 HA LEU 37 HA LEU 37 3.298 -13.253 4.614 282 HG LEU 37 HG LEU 37 2.384 -13.168 1.889 283 HB2 LEU 37 1HB LEU 37 3.196 -15.444 3.613 284 HB3 LEU 37 2HB LEU 37 1.462 -15.249 3.301 285 HD11 LEU 37 1HD1 LEU 37 4.437 -14.859 0.863 286 HD12 LEU 37 2HD1 LEU 37 4.734 -14.566 2.577 287 HD13 LEU 37 3HD1 LEU 37 4.557 -13.206 1.467 288 HD21 LEU 37 3HD2 LEU 37 2.637 -15.146 0.040 289 HD22 LEU 37 1HD2 LEU 37 1.103 -14.466 0.583 290 HD23 LEU 37 2HD2 LEU 37 1.708 -15.960 1.300 291 H MET 38 H MET 38 -0.184 -13.895 4.176 292 HA MET 38 HA MET 38 -0.667 -11.491 2.749 293 HB2 MET 38 1HB MET 38 -2.124 -13.453 2.552 294 HB3 MET 38 2HB MET 38 -2.599 -13.269 4.247 295 HG2 MET 38 1HG MET 38 -4.379 -12.272 3.219 296 HG3 MET 38 2HG MET 38 -3.325 -10.880 3.478 297 HE1 MET 38 3HE MET 38 -3.513 -13.825 0.837 298 HE2 MET 38 1HE MET 38 -5.130 -13.125 0.934 299 HE3 MET 38 2HE MET 38 -4.178 -12.944 -0.540 300 H LYS 39 H LYS 39 -0.787 -12.373 6.141 301 HA LYS 39 HA LYS 39 -2.218 -10.231 7.178 302 HB2 LYS 39 1HB LYS 39 -1.657 -12.061 8.601 303 HB3 LYS 39 2HB LYS 39 0.076 -11.815 8.331 304 HG2 LYS 39 1HG LYS 39 -1.220 -9.449 9.425 305 HG3 LYS 39 2HG LYS 39 -1.389 -10.875 10.464 306 HD2 LYS 39 1HD LYS 39 1.223 -11.091 9.801 307 HD3 LYS 39 2HD LYS 39 1.020 -9.330 9.744 308 HE2 LYS 39 1HE LYS 39 0.957 -9.174 11.972 309 HE3 LYS 39 2HE LYS 39 -0.267 -10.447 12.076 310 HZ1 LYS 39 3HZ LYS 39 2.528 -10.598 12.594 311 HZ2 LYS 39 1HZ LYS 39 2.059 -11.762 11.459 312 HZ3 LYS 39 2HZ LYS 39 1.307 -11.705 12.973 313 H LEU 40 H LEU 40 1.038 -10.366 5.960 314 HA LEU 40 HA LEU 40 1.984 -7.966 7.141 315 HG LEU 40 HG LEU 40 3.958 -9.694 7.385 316 HB2 LEU 40 1HB LEU 40 2.897 -9.906 5.155 317 HB3 LEU 40 2HB LEU 40 3.399 -8.245 4.798 318 HD11 LEU 40 1HD1 LEU 40 5.101 -10.354 5.075 319 HD12 LEU 40 2HD1 LEU 40 5.989 -10.325 6.599 320 HD13 LEU 40 3HD1 LEU 40 6.107 -8.964 5.483 321 HD21 LEU 40 3HD2 LEU 40 5.375 -7.240 6.467 322 HD22 LEU 40 1HD2 LEU 40 5.087 -7.834 8.103 323 HD23 LEU 40 2HD2 LEU 40 3.776 -7.080 7.194 324 H CYS 41 H CYS 41 0.924 -8.656 3.804 325 HA CYS 41 HA CYS 41 0.909 -5.936 3.014 326 HG CYS 41 HG CYS 41 -2.124 -8.257 0.816 327 HB2 CYS 41 1HB CYS 41 -0.104 -6.667 0.991 328 HB3 CYS 41 2HB CYS 41 1.055 -7.918 1.470 329 H GLU 42 H GLU 42 -1.366 -7.932 4.675 330 HA GLU 42 HA GLU 42 -3.776 -6.680 4.084 331 HE2 GLU 42 HE2 GLU 42 -6.083 -10.822 7.328 332 HB2 GLU 42 1HB GLU 42 -2.761 -8.486 6.098 333 HB3 GLU 42 2HB GLU 42 -3.881 -7.318 6.817 334 HG2 GLU 42 1HG GLU 42 -5.417 -7.943 4.809 335 HG3 GLU 42 2HG GLU 42 -4.394 -9.385 4.729 336 H GLU 43 H GLU 43 -1.104 -5.579 5.983 337 HA GLU 43 HA GLU 43 -2.296 -3.740 7.678 338 HE2 GLU 43 HE2 GLU 43 0.770 -4.730 11.184 339 HB2 GLU 43 1HB GLU 43 0.335 -3.417 6.213 340 HB3 GLU 43 2HB GLU 43 -0.154 -2.567 7.687 341 HG2 GLU 43 1HG GLU 43 -0.125 -5.548 7.702 342 HG3 GLU 43 2HG GLU 43 1.410 -4.671 7.780 343 H ALA 44 H ALA 44 -1.790 -3.594 4.244 344 HA ALA 44 HA ALA 44 -1.909 -0.890 3.719 345 HB1 ALA 44 3HB ALA 44 -2.931 -1.520 1.547 346 HB2 ALA 44 1HB ALA 44 -1.509 -2.478 1.962 347 HB3 ALA 44 2HB ALA 44 -3.122 -3.164 2.156 348 H ALA 45 H ALA 45 -4.592 -3.132 4.302 349 HA ALA 45 HA ALA 45 -6.614 -1.140 3.925 350 HB1 ALA 45 3HB ALA 45 -7.793 -3.005 3.674 351 HB2 ALA 45 1HB ALA 45 -6.510 -3.979 4.394 352 HB3 ALA 45 2HB ALA 45 -7.723 -3.216 5.424 353 H LYS 46 H LYS 46 -4.624 -2.142 6.552 354 HA LYS 46 HA LYS 46 -6.327 -1.142 8.639 355 HB2 LYS 46 1HB LYS 46 -3.917 -2.667 8.453 356 HB3 LYS 46 2HB LYS 46 -3.624 -1.281 9.514 357 HG2 LYS 46 1HG LYS 46 -5.935 -3.193 9.838 358 HG3 LYS 46 2HG LYS 46 -4.389 -3.329 10.694 359 HD2 LYS 46 1HD LYS 46 -4.817 -1.558 12.061 360 HD3 LYS 46 2HD LYS 46 -5.757 -0.705 10.825 361 HE2 LYS 46 1HE LYS 46 -7.055 -3.178 11.630 362 HE3 LYS 46 2HE LYS 46 -6.757 -2.108 13.008 363 HZ1 LYS 46 3HZ LYS 46 -8.466 -1.685 10.670 364 HZ2 LYS 46 1HZ LYS 46 -7.730 -0.330 11.368 365 HZ3 LYS 46 2HZ LYS 46 -8.749 -1.311 12.296 366 H LYS 47 H LYS 47 -3.284 -0.040 7.153 367 HA LYS 47 HA LYS 47 -3.202 2.414 8.581 368 HB2 LYS 47 1HB LYS 47 -1.743 1.218 6.272 369 HB3 LYS 47 2HB LYS 47 -1.645 2.972 6.491 370 HG2 LYS 47 1HG LYS 47 0.237 2.017 7.582 371 HG3 LYS 47 2HG LYS 47 -0.890 2.560 8.838 372 HD2 LYS 47 1HD LYS 47 -1.772 0.222 8.972 373 HD3 LYS 47 2HD LYS 47 -0.481 -0.264 7.859 374 HE2 LYS 47 1HE LYS 47 1.044 -0.309 9.495 375 HE3 LYS 47 2HE LYS 47 0.556 1.292 10.068 376 HZ1 LYS 47 3HZ LYS 47 0.037 -0.025 11.855 377 HZ2 LYS 47 1HZ LYS 47 -0.422 -1.349 10.907 378 HZ3 LYS 47 2HZ LYS 47 -1.447 -0.011 11.044 379 H ALA 48 H ALA 48 -4.038 1.668 5.196 380 HA ALA 48 HA ALA 48 -4.736 4.199 4.348 381 HB1 ALA 48 3HB ALA 48 -5.899 1.533 3.568 382 HB2 ALA 48 1HB ALA 48 -6.242 3.042 2.722 383 HB3 ALA 48 2HB ALA 48 -4.595 2.414 2.773 384 H GLU 49 H GLU 49 -6.508 2.001 6.396 385 HA GLU 49 HA GLU 49 -9.032 3.301 6.180 386 HE2 GLU 49 HE2 GLU 49 -12.693 0.572 7.811 387 HB2 GLU 49 1HB GLU 49 -9.002 1.027 6.905 388 HB3 GLU 49 2HB GLU 49 -7.884 1.404 8.226 389 HG2 GLU 49 1HG GLU 49 -9.531 1.958 9.612 390 HG3 GLU 49 2HG GLU 49 -10.319 2.964 8.387 391 H GLU 50 H GLU 50 -6.370 3.478 8.515 392 HA GLU 50 HA GLU 50 -7.675 5.403 10.178 393 HE2 GLU 50 HE2 GLU 50 -7.018 7.935 13.224 394 HB2 GLU 50 1HB GLU 50 -6.047 3.991 11.198 395 HB3 GLU 50 2HB GLU 50 -4.820 4.446 10.006 396 HG2 GLU 50 1HG GLU 50 -4.367 5.528 12.118 397 HG3 GLU 50 2HG GLU 50 -4.805 6.726 10.891 398 H LEU 51 H LEU 51 -5.460 5.536 7.469 399 HA LEU 51 HA LEU 51 -4.785 8.289 7.748 400 HG LEU 51 HG LEU 51 -2.883 6.622 7.585 401 HB2 LEU 51 1HB LEU 51 -4.592 6.323 5.474 402 HB3 LEU 51 2HB LEU 51 -4.102 8.018 5.309 403 HD11 LEU 51 1HD1 LEU 51 -3.093 5.005 5.476 404 HD12 LEU 51 2HD1 LEU 51 -1.668 5.041 6.513 405 HD13 LEU 51 3HD1 LEU 51 -1.666 5.917 4.982 406 HD21 LEU 51 3HD2 LEU 51 -1.825 8.590 7.273 407 HD22 LEU 51 1HD2 LEU 51 -2.223 8.656 5.555 408 HD23 LEU 51 2HD2 LEU 51 -0.880 7.657 6.112 409 H PHE 52 H PHE 52 -7.258 6.522 5.965 410 HA PHE 52 HA PHE 52 -8.220 8.527 4.317 411 HD1 PHE 52 HD2 PHE 52 -11.726 7.495 6.254 412 HD2 PHE 52 HD1 PHE 52 -10.218 7.360 2.276 413 HE1 PHE 52 HE2 PHE 52 -13.898 8.281 5.407 414 HE2 PHE 52 HE1 PHE 52 -12.388 8.146 1.423 415 HZ PHE 52 HZ PHE 52 -14.232 8.607 2.989 416 HB2 PHE 52 1HB PHE 52 -9.027 6.280 4.073 417 HB3 PHE 52 2HB PHE 52 -9.684 6.283 5.711 418 H LYS 53 H LYS 53 -8.664 8.058 7.745 419 HA LYS 53 HA LYS 53 -10.803 9.945 8.016 420 HB2 LYS 53 1HB LYS 53 -9.420 8.070 9.685 421 HB3 LYS 53 2HB LYS 53 -9.435 9.651 10.484 422 HG2 LYS 53 1HG LYS 53 -11.467 9.136 11.221 423 HG3 LYS 53 2HG LYS 53 -12.021 9.368 9.552 424 HD2 LYS 53 1HD LYS 53 -11.965 7.081 9.072 425 HD3 LYS 53 2HD LYS 53 -10.896 6.734 10.443 426 HE2 LYS 53 1HE LYS 53 -12.802 7.463 11.958 427 HE3 LYS 53 2HE LYS 53 -13.821 7.441 10.511 428 HZ1 LYS 53 3HZ LYS 53 -12.509 5.028 10.495 429 HZ2 LYS 53 1HZ LYS 53 -14.127 5.295 10.910 430 HZ3 LYS 53 2HZ LYS 53 -12.939 5.265 12.114 431 H LEU 54 H LEU 54 -7.298 10.030 8.430 432 HA LEU 54 HA LEU 54 -7.076 12.571 9.575 433 HG LEU 54 HG LEU 54 -3.578 11.617 9.811 434 HB2 LEU 54 1HB LEU 54 -5.336 10.592 8.452 435 HB3 LEU 54 2HB LEU 54 -4.876 12.191 7.845 436 HD11 LEU 54 1HD1 LEU 54 -3.629 13.705 10.636 437 HD12 LEU 54 2HD1 LEU 54 -5.355 13.636 10.995 438 HD13 LEU 54 3HD1 LEU 54 -4.808 13.982 9.354 439 HD21 LEU 54 3HD2 LEU 54 -5.160 10.090 10.867 440 HD22 LEU 54 1HD2 LEU 54 -6.233 11.441 11.233 441 HD23 LEU 54 2HD2 LEU 54 -4.644 11.345 11.994 442 H ALA 55 H ALA 55 -7.767 11.594 6.332 443 HA ALA 55 HA ALA 55 -7.004 13.984 5.007 444 HB1 ALA 55 3HB ALA 55 -9.239 12.389 3.905 445 HB2 ALA 55 1HB ALA 55 -7.785 13.004 3.119 446 HB3 ALA 55 2HB ALA 55 -7.699 11.560 4.129 447 H GLU 56 H GLU 56 -9.863 12.994 6.749 448 HA GLU 56 HA GLU 56 -11.753 14.777 5.806 449 HE2 GLU 56 HE2 GLU 56 -15.348 13.846 10.442 450 HB2 GLU 56 1HB GLU 56 -12.326 13.032 7.384 451 HB3 GLU 56 2HB GLU 56 -11.320 13.788 8.629 452 HG2 GLU 56 1HG GLU 56 -12.829 15.810 8.459 453 HG3 GLU 56 2HG GLU 56 -13.903 14.800 7.480 454 H GLU 57 H GLU 57 -9.081 15.327 8.010 455 HA GLU 57 HA GLU 57 -9.877 17.876 8.932 456 HE2 GLU 57 HE2 GLU 57 -7.875 18.469 13.206 457 HB2 GLU 57 1HB GLU 57 -8.134 16.419 9.986 458 HB3 GLU 57 2HB GLU 57 -7.053 16.840 8.648 459 HG2 GLU 57 1HG GLU 57 -6.488 18.776 9.578 460 HG3 GLU 57 2HG GLU 57 -8.178 19.198 9.879 461 H ARG 58 H ARG 58 -7.844 16.841 6.225 462 HA ARG 58 HA ARG 58 -7.266 19.529 5.395 463 HE ARG 58 HE ARG 58 -3.371 15.424 6.044 464 HB2 ARG 58 1HB ARG 58 -6.870 16.867 4.010 465 HB3 ARG 58 2HB ARG 58 -6.281 18.417 3.391 466 HG2 ARG 58 1HG ARG 58 -4.385 17.727 4.421 467 HG3 ARG 58 2HG ARG 58 -5.166 18.528 5.794 468 HD2 ARG 58 1HD ARG 58 -5.966 16.449 6.668 469 HD3 ARG 58 2HD ARG 58 -5.484 15.594 5.198 470 HH11 ARG 58 1HH1 ARG 58 -5.057 17.952 7.743 471 HH12 ARG 58 2HH1 ARG 58 -3.787 18.202 8.896 472 HH21 ARG 58 1HH2 ARG 58 -1.693 15.744 7.555 473 HH22 ARG 58 2HH2 ARG 58 -1.874 16.946 8.788 474 H LEU 59 H LEU 59 -9.734 17.187 4.758 475 HA LEU 59 HA LEU 59 -10.670 18.511 2.356 476 HG LEU 59 HG LEU 59 -13.705 16.832 2.746 477 HB2 LEU 59 1HB LEU 59 -10.822 16.082 2.540 478 HB3 LEU 59 2HB LEU 59 -11.850 16.256 3.973 479 HD11 LEU 59 1HD1 LEU 59 -13.602 17.694 0.421 480 HD12 LEU 59 2HD1 LEU 59 -11.844 17.717 0.548 481 HD13 LEU 59 3HD1 LEU 59 -12.817 18.744 1.602 482 HD21 LEU 59 3HD2 LEU 59 -12.598 14.544 2.101 483 HD22 LEU 59 1HD2 LEU 59 -12.410 15.320 0.528 484 HD23 LEU 59 2HD2 LEU 59 -14.016 15.134 1.233 485 H LYS 60 H LYS 60 -12.485 17.551 5.261 486 HA LYS 60 HA LYS 60 -13.947 20.096 5.082 487 HB2 LYS 60 1HB LYS 60 -15.580 18.851 6.639 488 HB3 LYS 60 2HB LYS 60 -15.515 18.368 4.938 489 HG2 LYS 60 1HG LYS 60 -13.653 16.881 6.631 490 HG3 LYS 60 2HG LYS 60 -15.355 16.676 7.081 491 HD2 LYS 60 1HD LYS 60 -15.434 16.492 4.331 492 HD3 LYS 60 2HD LYS 60 -13.907 15.693 4.745 493 HE2 LYS 60 1HE LYS 60 -14.932 13.999 5.907 494 HE3 LYS 60 2HE LYS 60 -16.313 15.013 6.352 495 HZ1 LYS 60 3HZ LYS 60 -16.696 13.185 4.647 496 HZ2 LYS 60 1HZ LYS 60 -15.867 14.174 3.553 497 HZ3 LYS 60 2HZ LYS 60 -17.295 14.722 4.275 498 H LYS 61 H LYS 61 -14.978 20.465 7.489 499 HA LYS 61 HA LYS 61 -12.618 20.860 9.188 500 HB2 LYS 61 1HB LYS 61 -15.316 22.223 9.114 501 HB3 LYS 61 2HB LYS 61 -14.113 22.513 10.380 502 HG2 LYS 61 1HG LYS 61 -12.798 22.815 7.887 503 HG3 LYS 61 2HG LYS 61 -14.322 23.717 7.815 504 HD2 LYS 61 1HD LYS 61 -13.742 25.127 9.556 505 HD3 LYS 61 2HD LYS 61 -12.581 23.970 10.230 506 HE2 LYS 61 1HE LYS 61 -11.479 24.443 7.781 507 HE3 LYS 61 2HE LYS 61 -12.223 26.008 8.142 508 HZ1 LYS 61 3HZ LYS 61 -10.895 25.067 10.439 509 HZ2 LYS 61 1HZ LYS 61 -10.577 26.459 9.529 510 HZ3 LYS 61 2HZ LYS 61 -9.828 24.997 9.128 511 H LEU 62 H LEU 62 -14.080 18.324 8.997 512 HA LEU 62 HA LEU 62 -14.963 16.694 10.321 513 HG LEU 62 HG LEU 62 -12.475 16.532 10.476 514 HB2 LEU 62 1HB LEU 62 -13.626 18.335 12.481 515 HB3 LEU 62 2HB LEU 62 -14.162 16.653 12.635 516 HD11 LEU 62 1HD1 LEU 62 -10.584 17.829 10.807 517 HD12 LEU 62 2HD1 LEU 62 -11.016 18.218 12.471 518 HD13 LEU 62 3HD1 LEU 62 -11.895 18.962 11.135 519 HD21 LEU 62 3HD2 LEU 62 -11.298 15.098 11.786 520 HD22 LEU 62 1HD2 LEU 62 -12.733 15.257 12.797 521 HD23 LEU 62 2HD2 LEU 62 -11.285 16.193 13.170 522 HA MET 1 HA MET 1 12.819 -23.607 -12.602 523 H1 MET 1 1H MET 1 15.097 -23.626 -11.215 524 HB2 MET 1 1HB MET 1 13.234 -24.743 -9.832 525 HB3 MET 1 2HB MET 1 11.810 -25.098 -10.823 526 HG2 MET 1 1HG MET 1 12.920 -26.513 -12.178 527 HG3 MET 1 2HG MET 1 14.389 -25.534 -12.154 528 HE1 MET 1 3HE MET 1 16.085 -25.508 -10.013 529 HE2 MET 1 1HE MET 1 16.651 -27.152 -9.713 530 HE3 MET 1 2HE MET 1 16.457 -26.574 -11.369 531 H LYS 2 H LYS 2 11.138 -22.292 -12.767 532 HA LYS 2 HA LYS 2 10.198 -20.894 -10.348 533 HB2 LYS 2 1HB LYS 2 9.517 -19.020 -11.808 534 HB3 LYS 2 2HB LYS 2 11.266 -19.299 -11.829 535 HG2 LYS 2 1HG LYS 2 10.967 -20.587 -13.952 536 HG3 LYS 2 2HG LYS 2 9.275 -20.061 -13.951 537 HD2 LYS 2 1HD LYS 2 9.823 -17.822 -14.298 538 HD3 LYS 2 2HD LYS 2 11.485 -18.051 -13.725 539 HE2 LYS 2 1HE LYS 2 12.235 -18.664 -15.755 540 HE3 LYS 2 2HE LYS 2 10.822 -19.687 -16.053 541 HZ1 LYS 2 3HZ LYS 2 9.686 -18.002 -17.040 542 HZ2 LYS 2 1HZ LYS 2 11.257 -17.512 -17.433 543 HZ3 LYS 2 2HZ LYS 2 10.443 -16.787 -16.139 544 H LYS 3 H LYS 3 7.880 -20.062 -10.679 545 HA LYS 3 HA LYS 3 6.209 -21.630 -12.424 546 HB2 LYS 3 1HB LYS 3 6.389 -22.183 -9.481 547 HB3 LYS 3 2HB LYS 3 4.842 -22.383 -10.319 548 HG2 LYS 3 1HG LYS 3 6.507 -23.741 -11.984 549 HG3 LYS 3 2HG LYS 3 7.261 -24.035 -10.408 550 HD2 LYS 3 1HD LYS 3 5.769 -25.691 -10.172 551 HD3 LYS 3 2HD LYS 3 4.590 -24.402 -9.873 552 HE2 LYS 3 1HE LYS 3 4.147 -24.323 -12.341 553 HE3 LYS 3 2HE LYS 3 5.189 -25.744 -12.505 554 HZ1 LYS 3 3HZ LYS 3 2.480 -25.681 -11.872 555 HZ2 LYS 3 1HZ LYS 3 3.287 -26.230 -10.490 556 HZ3 LYS 3 2HZ LYS 3 3.491 -27.034 -11.965 557 H LEU 4 H LEU 4 6.464 -18.974 -12.482 558 HA LEU 4 HA LEU 4 5.304 -17.019 -12.455 559 HG LEU 4 HG LEU 4 2.313 -18.422 -14.117 560 HB2 LEU 4 1HB LEU 4 2.990 -18.801 -11.671 561 HB3 LEU 4 2HB LEU 4 2.871 -17.136 -12.264 562 HD11 LEU 4 1HD1 LEU 4 4.058 -16.747 -14.601 563 HD12 LEU 4 2HD1 LEU 4 4.106 -18.122 -15.704 564 HD13 LEU 4 3HD1 LEU 4 5.284 -17.997 -14.397 565 HD21 LEU 4 3HD2 LEU 4 3.157 -20.556 -12.980 566 HD22 LEU 4 1HD2 LEU 4 4.694 -20.215 -13.776 567 HD23 LEU 4 2HD2 LEU 4 3.240 -20.475 -14.741 568 H ARG 5 H ARG 5 6.413 -18.322 -9.910 569 HA ARG 5 HA ARG 5 4.808 -17.330 -7.769 570 HE ARG 5 HE ARG 5 6.969 -21.596 -5.911 571 HB2 ARG 5 1HB ARG 5 7.745 -18.062 -7.752 572 HB3 ARG 5 2HB ARG 5 6.686 -17.913 -6.341 573 HG2 ARG 5 1HG ARG 5 5.805 -19.959 -6.605 574 HG3 ARG 5 2HG ARG 5 5.745 -19.806 -8.369 575 HD2 ARG 5 1HD ARG 5 7.662 -20.926 -8.633 576 HD3 ARG 5 2HD ARG 5 8.472 -19.935 -7.410 577 HH11 ARG 5 1HH1 ARG 5 9.192 -22.140 -8.534 578 HH12 ARG 5 2HH1 ARG 5 9.682 -23.702 -7.968 579 HH21 ARG 5 1HH2 ARG 5 7.605 -23.651 -5.155 580 HH22 ARG 5 2HH2 ARG 5 8.777 -24.562 -6.046 581 H GLU 6 H GLU 6 7.598 -16.126 -9.557 582 HA GLU 6 HA GLU 6 8.315 -13.972 -7.973 583 HE2 GLU 6 HE2 GLU 6 12.179 -11.440 -11.108 584 HB2 GLU 6 1HB GLU 6 9.703 -14.543 -9.812 585 HB3 GLU 6 2HB GLU 6 8.376 -14.333 -10.965 586 HG2 GLU 6 1HG GLU 6 8.504 -12.033 -10.928 587 HG3 GLU 6 2HG GLU 6 9.279 -12.006 -9.338 588 H GLU 7 H GLU 7 5.560 -14.372 -10.055 589 HA GLU 7 HA GLU 7 4.806 -11.756 -10.538 590 HE2 GLU 7 HE2 GLU 7 -0.367 -12.606 -11.678 591 HB2 GLU 7 1HB GLU 7 3.640 -14.316 -10.779 592 HB3 GLU 7 2HB GLU 7 2.483 -13.319 -9.884 593 HG2 GLU 7 1HG GLU 7 3.516 -11.812 -12.089 594 HG3 GLU 7 2HG GLU 7 2.932 -13.384 -12.657 595 H ALA 8 H ALA 8 3.926 -13.790 -7.751 596 HA ALA 8 HA ALA 8 2.354 -11.991 -6.366 597 HB1 ALA 8 3HB ALA 8 3.557 -13.261 -4.319 598 HB2 ALA 8 1HB ALA 8 2.276 -13.975 -5.300 599 HB3 ALA 8 2HB ALA 8 3.964 -14.351 -5.645 600 H ALA 9 H ALA 9 5.803 -12.030 -6.776 601 HA ALA 9 HA ALA 9 6.408 -10.265 -4.607 602 HB1 ALA 9 3HB ALA 9 8.411 -10.144 -6.631 603 HB2 ALA 9 1HB ALA 9 8.473 -10.936 -5.055 604 HB3 ALA 9 2HB ALA 9 7.872 -11.815 -6.462 605 H LYS 10 H LYS 10 5.769 -9.875 -8.051 606 HA LYS 10 HA LYS 10 6.448 -7.113 -8.158 607 HB2 LYS 10 1HB LYS 10 4.530 -8.523 -10.014 608 HB3 LYS 10 2HB LYS 10 5.573 -7.135 -10.365 609 HG2 LYS 10 1HG LYS 10 7.378 -9.074 -9.611 610 HG3 LYS 10 2HG LYS 10 6.148 -9.982 -10.508 611 HD2 LYS 10 1HD LYS 10 7.010 -7.426 -11.727 612 HD3 LYS 10 2HD LYS 10 8.222 -8.718 -11.677 613 HE2 LYS 10 1HE LYS 10 7.069 -10.065 -13.121 614 HE3 LYS 10 2HE LYS 10 5.497 -9.456 -12.582 615 HZ1 LYS 10 3HZ LYS 10 6.168 -8.802 -14.884 616 HZ2 LYS 10 1HZ LYS 10 7.380 -7.838 -14.202 617 HZ3 LYS 10 2HZ LYS 10 5.753 -7.509 -13.874 618 H LEU 11 H LEU 11 3.497 -8.898 -7.506 619 HA LEU 11 HA LEU 11 1.587 -6.926 -7.769 620 HG LEU 11 HG LEU 11 1.773 -10.198 -7.726 621 HB2 LEU 11 1HB LEU 11 1.739 -9.051 -5.623 622 HB3 LEU 11 2HB LEU 11 0.288 -8.148 -6.091 623 HD11 LEU 11 1HD1 LEU 11 -0.916 -10.094 -6.396 624 HD12 LEU 11 2HD1 LEU 11 0.366 -11.288 -6.201 625 HD13 LEU 11 3HD1 LEU 11 -0.556 -11.224 -7.702 626 HD21 LEU 11 3HD2 LEU 11 1.095 -8.387 -9.190 627 HD22 LEU 11 1HD2 LEU 11 -0.538 -8.428 -8.521 628 HD23 LEU 11 2HD2 LEU 11 0.067 -9.798 -9.454 629 H PHE 12 H PHE 12 3.679 -7.598 -4.987 630 HA PHE 12 HA PHE 12 2.580 -5.499 -3.386 631 HD1 PHE 12 HD2 PHE 12 1.731 -6.489 -1.744 632 HD2 PHE 12 HD1 PHE 12 4.965 -9.207 -2.257 633 HE1 PHE 12 HE2 PHE 12 0.386 -8.277 -0.721 634 HE2 PHE 12 HE1 PHE 12 3.625 -11.000 -1.235 635 HZ PHE 12 HZ PHE 12 1.333 -10.535 -0.464 636 HB2 PHE 12 1HB PHE 12 5.155 -7.075 -3.128 637 HB3 PHE 12 2HB PHE 12 4.549 -5.948 -1.912 638 H GLU 13 H GLU 13 5.046 -5.714 -5.799 639 HA GLU 13 HA GLU 13 6.704 -3.590 -5.160 640 HE2 GLU 13 HE2 GLU 13 9.718 -2.739 -9.820 641 HB2 GLU 13 1HB GLU 13 6.454 -5.314 -7.280 642 HB3 GLU 13 2HB GLU 13 6.035 -3.757 -8.013 643 HG2 GLU 13 1HG GLU 13 8.241 -3.029 -6.664 644 HG3 GLU 13 2HG GLU 13 8.617 -4.730 -6.976 645 H GLU 14 H GLU 14 3.445 -3.572 -6.364 646 HA GLU 14 HA GLU 14 3.394 -0.904 -7.319 647 HE2 GLU 14 HE2 GLU 14 -1.035 -2.389 -9.855 648 HB2 GLU 14 1HB GLU 14 1.037 -2.439 -6.216 649 HB3 GLU 14 2HB GLU 14 1.023 -1.143 -7.424 650 HG2 GLU 14 1HG GLU 14 2.673 -3.060 -8.548 651 HG3 GLU 14 2HG GLU 14 1.389 -3.995 -7.767 652 H TRP 15 H TRP 15 2.744 -2.372 -4.183 653 HA TRP 15 HA TRP 15 1.673 -0.085 -2.929 654 HD1 TRP 15 HD1 TRP 15 0.936 0.731 -1.249 655 HE1 TRP 15 HE1 TRP 15 0.048 0.981 1.154 656 HE3 TRP 15 HE3 TRP 15 2.495 -3.746 0.664 657 HZ2 TRP 15 HZ2 TRP 15 0.013 -0.518 3.544 658 HZ3 TRP 15 HZ3 TRP 15 1.994 -4.261 3.018 659 HH2 TRP 15 HH2 TRP 15 0.780 -2.679 4.427 660 HB2 TRP 15 1HB TRP 15 1.684 -2.565 -2.156 661 HB3 TRP 15 2HB TRP 15 3.257 -2.175 -1.458 662 H LYS 16 H LYS 16 4.977 -1.327 -3.186 663 HA LYS 16 HA LYS 16 6.093 0.777 -1.579 664 HB2 LYS 16 1HB LYS 16 7.236 -1.318 -1.573 665 HB3 LYS 16 2HB LYS 16 7.326 -1.340 -3.341 666 HG2 LYS 16 1HG LYS 16 8.592 0.996 -2.083 667 HG3 LYS 16 2HG LYS 16 9.339 -0.565 -1.701 668 HD2 LYS 16 1HD LYS 16 10.070 -0.902 -3.822 669 HD3 LYS 16 2HD LYS 16 8.647 -0.126 -4.538 670 HE2 LYS 16 1HE LYS 16 9.566 1.970 -4.472 671 HE3 LYS 16 2HE LYS 16 10.536 1.603 -3.038 672 HZ1 LYS 16 3HZ LYS 16 11.243 1.403 -5.798 673 HZ2 LYS 16 1HZ LYS 16 11.553 -0.038 -4.967 674 HZ3 LYS 16 2HZ LYS 16 12.239 1.412 -4.431 675 H LYS 17 H LYS 17 5.469 0.244 -4.961 676 HA LYS 17 HA LYS 17 7.181 2.331 -5.916 677 HB2 LYS 17 1HB LYS 17 5.102 0.543 -7.091 678 HB3 LYS 17 2HB LYS 17 5.524 2.020 -7.971 679 HG2 LYS 17 1HG LYS 17 7.784 0.351 -7.036 680 HG3 LYS 17 2HG LYS 17 6.777 -0.310 -8.337 681 HD2 LYS 17 1HD LYS 17 7.325 1.379 -9.821 682 HD3 LYS 17 2HD LYS 17 7.739 2.512 -8.524 683 HE2 LYS 17 1HE LYS 17 9.888 1.986 -8.794 684 HE3 LYS 17 2HE LYS 17 9.506 0.346 -8.251 685 HZ1 LYS 17 3HZ LYS 17 10.398 -0.074 -10.293 686 HZ2 LYS 17 1HZ LYS 17 9.829 1.363 -10.982 687 HZ3 LYS 17 2HZ LYS 17 8.770 0.071 -10.726 688 H LEU 18 H LEU 18 3.635 2.030 -5.662 689 HA LEU 18 HA LEU 18 2.971 4.610 -6.425 690 HG LEU 18 HG LEU 18 1.680 2.249 -7.071 691 HB2 LEU 18 1HB LEU 18 1.637 2.698 -4.513 692 HB3 LEU 18 2HB LEU 18 0.922 4.253 -4.975 693 HD11 LEU 18 1HD1 LEU 18 0.330 0.932 -5.640 694 HD12 LEU 18 2HD1 LEU 18 -0.716 1.484 -6.948 695 HD13 LEU 18 3HD1 LEU 18 -0.799 2.260 -5.365 696 HD21 LEU 18 3HD2 LEU 18 0.439 3.525 -8.469 697 HD22 LEU 18 1HD2 LEU 18 0.843 4.781 -7.297 698 HD23 LEU 18 2HD2 LEU 18 -0.721 3.969 -7.215 699 H ALA 19 H ALA 19 4.293 3.452 -3.435 700 HA ALA 19 HA ALA 19 3.575 5.601 -1.759 701 HB1 ALA 19 3HB ALA 19 4.559 4.319 -0.241 702 HB2 ALA 19 1HB ALA 19 5.075 3.230 -1.530 703 HB3 ALA 19 2HB ALA 19 6.126 4.550 -1.014 704 H GLU 20 H GLU 20 6.322 5.083 -3.917 705 HA GLU 20 HA GLU 20 7.915 7.231 -3.151 706 HE2 GLU 20 HE2 GLU 20 11.611 5.163 -6.947 707 HB2 GLU 20 1HB GLU 20 8.179 5.279 -4.970 708 HB3 GLU 20 2HB GLU 20 7.744 6.613 -6.051 709 HG2 GLU 20 1HG GLU 20 9.687 7.735 -5.707 710 HG3 GLU 20 2HG GLU 20 9.856 7.141 -4.049 711 H GLU 21 H GLU 21 5.376 7.114 -5.641 712 HA GLU 21 HA GLU 21 5.580 9.902 -6.241 713 HE2 GLU 21 HE2 GLU 21 6.259 9.446 -10.770 714 HB2 GLU 21 1HB GLU 21 3.296 8.017 -6.863 715 HB3 GLU 21 2HB GLU 21 3.652 9.558 -7.659 716 HG2 GLU 21 1HG GLU 21 5.936 7.802 -7.787 717 HG3 GLU 21 2HG GLU 21 4.489 7.014 -8.434 718 H ALA 22 H ALA 22 3.153 7.935 -4.533 719 HA ALA 22 HA ALA 22 1.406 9.951 -3.798 720 HB1 ALA 22 3HB ALA 22 2.062 7.651 -1.982 721 HB2 ALA 22 1HB ALA 22 0.515 8.468 -2.211 722 HB3 ALA 22 2HB ALA 22 1.164 7.435 -3.485 723 H ALA 23 H ALA 23 4.513 9.103 -2.448 724 HA ALA 23 HA ALA 23 4.248 10.577 -0.027 725 HB1 ALA 23 3HB ALA 23 6.868 10.450 -0.219 726 HB2 ALA 23 1HB ALA 23 5.911 9.016 0.153 727 HB3 ALA 23 2HB ALA 23 6.495 9.286 -1.490 728 H LYS 24 H LYS 24 6.007 11.261 -3.054 729 HA LYS 24 HA LYS 24 6.767 13.881 -2.336 730 HB2 LYS 24 1HB LYS 24 7.196 14.186 -4.773 731 HB3 LYS 24 2HB LYS 24 7.946 12.734 -4.091 732 HG2 LYS 24 1HG LYS 24 6.142 11.354 -5.001 733 HG3 LYS 24 2HG LYS 24 5.390 12.808 -5.684 734 HD2 LYS 24 1HD LYS 24 8.072 12.850 -6.544 735 HD3 LYS 24 2HD LYS 24 7.505 11.183 -6.756 736 HE2 LYS 24 1HE LYS 24 6.641 11.905 -8.697 737 HE3 LYS 24 2HE LYS 24 5.379 12.627 -7.688 738 HZ1 LYS 24 3HZ LYS 24 6.687 14.067 -9.399 739 HZ2 LYS 24 1HZ LYS 24 7.841 14.151 -8.164 740 HZ3 LYS 24 2HZ LYS 24 6.268 14.709 -7.891 741 H LEU 25 H LEU 25 3.903 12.571 -3.872 742 HA LEU 25 HA LEU 25 2.855 15.120 -4.666 743 HG LEU 25 HG LEU 25 2.602 13.583 -6.889 744 HB2 LEU 25 1HB LEU 25 2.097 12.314 -4.879 745 HB3 LEU 25 2HB LEU 25 0.717 13.373 -4.542 746 HD11 LEU 25 1HD1 LEU 25 0.761 11.753 -6.733 747 HD12 LEU 25 2HD1 LEU 25 0.927 12.706 -8.208 748 HD13 LEU 25 3HD1 LEU 25 -0.340 13.095 -7.045 749 HD21 LEU 25 3HD2 LEU 25 0.295 15.310 -6.018 750 HD22 LEU 25 1HD2 LEU 25 0.950 15.313 -7.656 751 HD23 LEU 25 2HD2 LEU 25 1.967 15.795 -6.299 752 H LEU 26 H LEU 26 2.350 12.907 -1.959 753 HA LEU 26 HA LEU 26 0.157 14.043 -0.745 754 HG LEU 26 HG LEU 26 0.096 11.596 -0.391 755 HB2 LEU 26 1HB LEU 26 2.490 12.474 0.148 756 HB3 LEU 26 2HB LEU 26 1.663 13.399 1.414 757 HD11 LEU 26 1HD1 LEU 26 0.612 9.690 0.757 758 HD12 LEU 26 2HD1 LEU 26 1.128 10.563 2.199 759 HD13 LEU 26 3HD1 LEU 26 2.178 10.498 0.784 760 HD21 LEU 26 3HD2 LEU 26 -1.325 11.444 1.621 761 HD22 LEU 26 1HD2 LEU 26 -1.146 13.099 1.036 762 HD23 LEU 26 2HD2 LEU 26 -0.237 12.559 2.448 763 H GLU 27 H GLU 27 3.571 14.928 -0.260 764 HA GLU 27 HA GLU 27 2.741 17.308 1.217 765 HE2 GLU 27 HE2 GLU 27 3.896 16.172 5.574 766 HB2 GLU 27 1HB GLU 27 5.526 16.266 0.649 767 HB3 GLU 27 2HB GLU 27 5.100 17.573 1.765 768 HG2 GLU 27 1HG GLU 27 3.962 14.825 2.132 769 HG3 GLU 27 2HG GLU 27 5.586 15.225 2.707 770 H GLY 28 H GLY 28 2.714 16.705 -1.857 771 HA2 GLY 28 1HA GLY 28 4.474 18.468 -3.132 772 HA3 GLY 28 2HA GLY 28 2.919 17.953 -3.771 773 H GLY 29 H GLY 29 1.832 19.171 -1.102 774 HA2 GLY 29 1HA GLY 29 1.984 21.678 -0.539 775 HA3 GLY 29 2HA GLY 29 1.568 21.877 -2.235 776 H GLY 30 H GLY 30 0.340 19.623 0.232 777 HA2 GLY 30 1HA GLY 30 -2.115 20.962 0.633 778 HA3 GLY 30 2HA GLY 30 -2.318 19.740 -0.612 779 H GLY 31 H GLY 31 -0.183 19.511 2.187 780 HA2 GLY 31 1HA GLY 31 -1.962 17.419 3.273 781 HA3 GLY 31 2HA GLY 31 -0.228 17.169 3.137 782 H GLY 32 H GLY 32 0.761 17.322 5.030 783 HA2 GLY 32 1HA GLY 32 -0.330 19.216 7.016 784 HA3 GLY 32 2HA GLY 32 0.522 17.733 7.420 785 H GLY 33 H GLY 33 2.813 17.692 6.264 786 HA2 GLY 33 1HA GLY 33 4.380 19.730 5.572 787 HA3 GLY 33 2HA GLY 33 4.174 20.056 7.288 788 H GLY 34 H GLY 34 4.427 17.812 8.588 789 HA2 GLY 34 1HA GLY 34 6.264 15.905 7.676 790 HA3 GLY 34 2HA GLY 34 7.172 17.198 8.444 791 H GLY 35 H GLY 35 4.652 14.779 8.963 792 HA2 GLY 35 1HA GLY 35 5.536 14.573 11.750 793 HA3 GLY 35 2HA GLY 35 3.833 14.890 11.451 794 H GLU 36 H GLU 36 3.274 12.929 12.480 795 HA GLU 36 HA GLU 36 4.275 10.418 11.552 796 HE2 GLU 36 HE2 GLU 36 -0.028 11.244 16.147 797 HB2 GLU 36 1HB GLU 36 2.812 9.409 13.094 798 HB3 GLU 36 2HB GLU 36 3.309 10.927 13.856 799 HG2 GLU 36 1HG GLU 36 1.045 11.661 12.480 800 HG3 GLU 36 2HG GLU 36 0.667 10.024 13.036 801 H LEU 37 H LEU 37 2.011 12.601 10.339 802 HA LEU 37 HA LEU 37 -0.016 11.062 9.281 803 HG LEU 37 HG LEU 37 -0.291 11.989 6.576 804 HB2 LEU 37 1HB LEU 37 -0.033 13.470 9.135 805 HB3 LEU 37 2HB LEU 37 1.390 13.439 8.078 806 HD11 LEU 37 1HD1 LEU 37 -2.333 13.896 7.145 807 HD12 LEU 37 2HD1 LEU 37 -1.958 12.997 8.615 808 HD13 LEU 37 3HD1 LEU 37 -2.424 12.135 7.149 809 HD21 LEU 37 3HD2 LEU 37 -0.989 14.496 5.788 810 HD22 LEU 37 1HD2 LEU 37 0.526 13.695 5.372 811 HD23 LEU 37 2HD2 LEU 37 0.466 14.817 6.732 812 H MET 38 H MET 38 3.042 11.912 7.652 813 HA MET 38 HA MET 38 2.589 10.177 5.450 814 HB2 MET 38 1HB MET 38 4.061 12.132 5.300 815 HB3 MET 38 2HB MET 38 5.170 11.386 6.460 816 HG2 MET 38 1HG MET 38 6.226 10.873 4.499 817 HG3 MET 38 2HG MET 38 5.221 9.439 4.725 818 HE1 MET 38 3HE MET 38 4.647 13.114 3.367 819 HE2 MET 38 1HE MET 38 6.055 12.473 2.522 820 HE3 MET 38 2HE MET 38 4.560 12.780 1.637 821 H LYS 39 H LYS 39 4.203 9.824 8.543 822 HA LYS 39 HA LYS 39 5.676 7.518 8.109 823 HB2 LYS 39 1HB LYS 39 5.939 8.702 10.162 824 HB3 LYS 39 2HB LYS 39 4.227 8.497 10.568 825 HG2 LYS 39 1HG LYS 39 5.575 5.949 10.162 826 HG3 LYS 39 2HG LYS 39 6.311 6.924 11.446 827 HD2 LYS 39 1HD LYS 39 3.696 7.261 12.045 828 HD3 LYS 39 2HD LYS 39 3.657 5.641 11.328 829 HE2 LYS 39 1HE LYS 39 4.595 4.720 13.136 830 HE3 LYS 39 2HE LYS 39 5.892 5.924 13.137 831 HZ1 LYS 39 3HZ LYS 39 3.578 5.774 14.789 832 HZ2 LYS 39 1HZ LYS 39 3.678 7.278 14.020 833 HZ3 LYS 39 2HZ LYS 39 4.965 6.726 14.969 834 H LEU 40 H LEU 40 2.240 7.926 8.493 835 HA LEU 40 HA LEU 40 1.581 5.241 9.087 836 HG LEU 40 HG LEU 40 0.066 6.754 10.634 837 HB2 LEU 40 1HB LEU 40 0.175 7.700 8.343 838 HB3 LEU 40 2HB LEU 40 -0.598 6.224 7.738 839 HD11 LEU 40 1HD1 LEU 40 -1.814 8.093 9.311 840 HD12 LEU 40 2HD1 LEU 40 -2.028 7.553 10.976 841 HD13 LEU 40 3HD1 LEU 40 -2.723 6.620 9.651 842 HD21 LEU 40 3HD2 LEU 40 -1.859 4.692 9.682 843 HD22 LEU 40 1HD2 LEU 40 -0.879 4.733 11.148 844 HD23 LEU 40 2HD2 LEU 40 -0.131 4.345 9.598 845 H CYS 41 H CYS 41 1.266 7.035 6.017 846 HA CYS 41 HA CYS 41 0.730 4.725 4.471 847 HG CYS 41 HG CYS 41 2.815 7.796 2.097 848 HB2 CYS 41 1HB CYS 41 0.905 6.127 2.557 849 HB3 CYS 41 2HB CYS 41 0.143 7.086 3.837 850 H GLU 42 H GLU 42 3.652 6.216 5.568 851 HA GLU 42 HA GLU 42 5.481 5.311 3.672 852 HE2 GLU 42 HE2 GLU 42 9.271 8.436 6.653 853 HB2 GLU 42 1HB GLU 42 5.557 6.408 6.345 854 HB3 GLU 42 2HB GLU 42 6.772 5.134 6.160 855 HG2 GLU 42 1HG GLU 42 7.375 6.381 3.957 856 HG3 GLU 42 2HG GLU 42 6.538 7.737 4.725 857 H GLU 43 H GLU 43 3.769 3.592 6.139 858 HA GLU 43 HA GLU 43 5.402 1.393 6.568 859 HE2 GLU 43 HE2 GLU 43 4.217 1.193 11.177 860 HB2 GLU 43 1HB GLU 43 2.382 1.398 6.358 861 HB3 GLU 43 2HB GLU 43 3.372 0.179 7.174 862 HG2 GLU 43 1HG GLU 43 3.621 3.022 8.031 863 HG3 GLU 43 2HG GLU 43 2.191 2.100 8.515 864 H ALA 44 H ALA 44 3.498 2.240 3.793 865 HA ALA 44 HA ALA 44 3.124 -0.186 2.534 866 HB1 ALA 44 3HB ALA 44 3.220 1.098 0.404 867 HB2 ALA 44 1HB ALA 44 2.173 1.816 1.629 868 HB3 ALA 44 2HB ALA 44 3.772 2.496 1.324 869 H ALA 45 H ALA 45 5.994 1.904 2.443 870 HA ALA 45 HA ALA 45 7.473 0.169 0.725 871 HB1 ALA 45 3HB ALA 45 8.608 2.068 0.517 872 HB2 ALA 45 1HB ALA 45 7.846 2.745 1.957 873 HB3 ALA 45 2HB ALA 45 9.301 1.760 2.108 874 H LYS 46 H LYS 46 6.885 0.296 4.117 875 HA LYS 46 HA LYS 46 9.206 -1.195 4.907 876 HB2 LYS 46 1HB LYS 46 7.075 0.204 6.196 877 HB3 LYS 46 2HB LYS 46 7.136 -1.443 6.843 878 HG2 LYS 46 1HG LYS 46 9.520 0.402 6.685 879 HG3 LYS 46 2HG LYS 46 8.492 0.205 8.115 880 HD2 LYS 46 1HD LYS 46 9.309 -1.860 8.608 881 HD3 LYS 46 2HD LYS 46 9.567 -2.274 6.904 882 HE2 LYS 46 1HE LYS 46 11.284 -0.082 7.742 883 HE3 LYS 46 2HE LYS 46 11.507 -1.521 8.747 884 HZ1 LYS 46 3HZ LYS 46 12.029 -1.158 5.889 885 HZ2 LYS 46 1HZ LYS 46 11.545 -2.691 6.417 886 HZ3 LYS 46 2HZ LYS 46 12.939 -1.978 7.056 887 H LYS 47 H LYS 47 5.741 -1.960 4.609 888 HA LYS 47 HA LYS 47 6.084 -4.731 5.159 889 HB2 LYS 47 1HB LYS 47 3.865 -2.983 4.210 890 HB3 LYS 47 2HB LYS 47 3.720 -4.725 3.927 891 HG2 LYS 47 1HG LYS 47 2.606 -4.248 5.969 892 HG3 LYS 47 2HG LYS 47 4.122 -5.075 6.370 893 HD2 LYS 47 1HD LYS 47 5.167 -2.836 6.769 894 HD3 LYS 47 2HD LYS 47 3.564 -2.115 6.547 895 HE2 LYS 47 1HE LYS 47 2.930 -2.648 8.626 896 HE3 LYS 47 2HE LYS 47 3.484 -4.316 8.425 897 HZ1 LYS 47 3HZ LYS 47 4.849 -3.562 10.088 898 HZ2 LYS 47 1HZ LYS 47 4.951 -1.992 9.467 899 HZ3 LYS 47 2HZ LYS 47 5.814 -3.249 8.735 900 H ALA 48 H ALA 48 5.384 -2.968 2.141 901 HA ALA 48 HA ALA 48 5.424 -5.090 0.378 902 HB1 ALA 48 3HB ALA 48 6.362 -2.259 -0.058 903 HB2 ALA 48 1HB ALA 48 6.090 -3.432 -1.347 904 HB3 ALA 48 2HB ALA 48 4.744 -2.901 -0.338 905 H GLU 49 H GLU 49 8.095 -3.485 1.946 906 HA GLU 49 HA GLU 49 10.144 -4.502 0.252 907 HE2 GLU 49 HE2 GLU 49 14.356 -2.157 0.790 908 HB2 GLU 49 1HB GLU 49 10.621 -2.554 1.546 909 HB3 GLU 49 2HB GLU 49 10.185 -3.377 3.051 910 HG2 GLU 49 1HG GLU 49 12.227 -4.215 3.318 911 HG3 GLU 49 2HG GLU 49 12.303 -4.756 1.635 912 H GLU 50 H GLU 50 8.795 -5.536 3.364 913 HA GLU 50 HA GLU 50 10.547 -7.781 3.617 914 HE2 GLU 50 HE2 GLU 50 11.111 -11.144 5.742 915 HB2 GLU 50 1HB GLU 50 9.663 -6.846 5.625 916 HB3 GLU 50 2HB GLU 50 8.001 -6.999 5.032 917 HG2 GLU 50 1HG GLU 50 8.446 -8.690 6.698 918 HG3 GLU 50 2HG GLU 50 8.198 -9.436 5.113 919 H LEU 51 H LEU 51 7.325 -7.256 2.330 920 HA LEU 51 HA LEU 51 6.690 -10.021 2.018 921 HG LEU 51 HG LEU 51 5.111 -8.482 3.345 922 HB2 LEU 51 1HB LEU 51 5.533 -7.504 0.821 923 HB3 LEU 51 2HB LEU 51 4.894 -9.124 0.493 924 HD11 LEU 51 1HD1 LEU 51 4.378 -6.332 1.950 925 HD12 LEU 51 2HD1 LEU 51 3.670 -6.742 3.511 926 HD13 LEU 51 3HD1 LEU 51 2.820 -7.156 2.022 927 HD21 LEU 51 3HD2 LEU 51 3.869 -10.348 3.090 928 HD22 LEU 51 1HD2 LEU 51 3.335 -9.903 1.469 929 HD23 LEU 51 2HD2 LEU 51 2.556 -9.189 2.880 930 H PHE 52 H PHE 52 7.856 -7.490 -0.178 931 HA PHE 52 HA PHE 52 7.854 -8.912 -2.552 932 HD1 PHE 52 HD2 PHE 52 11.807 -7.693 -2.483 933 HD2 PHE 52 HD1 PHE 52 8.390 -7.020 -4.932 934 HE1 PHE 52 HE2 PHE 52 13.212 -7.894 -4.492 935 HE2 PHE 52 HE1 PHE 52 9.790 -7.220 -6.945 936 HZ PHE 52 HZ PHE 52 12.204 -7.657 -6.727 937 HB2 PHE 52 1HB PHE 52 8.312 -6.558 -2.566 938 HB3 PHE 52 2HB PHE 52 9.747 -6.778 -1.563 939 H LYS 53 H LYS 53 10.148 -8.991 0.100 940 HA LYS 53 HA LYS 53 12.092 -10.570 -1.296 941 HB2 LYS 53 1HB LYS 53 11.897 -9.203 1.216 942 HB3 LYS 53 2HB LYS 53 12.408 -10.873 1.506 943 HG2 LYS 53 1HG LYS 53 14.477 -10.200 1.058 944 HG3 LYS 53 2HG LYS 53 13.964 -10.084 -0.634 945 HD2 LYS 53 1HD LYS 53 13.586 -7.780 -0.504 946 HD3 LYS 53 2HD LYS 53 13.509 -7.809 1.266 947 HE2 LYS 53 1HE LYS 53 15.954 -8.495 1.243 948 HE3 LYS 53 2HE LYS 53 15.942 -8.101 -0.482 949 HZ1 LYS 53 3HZ LYS 53 14.812 -5.925 0.755 950 HZ2 LYS 53 1HZ LYS 53 16.374 -6.024 0.113 951 HZ3 LYS 53 2HZ LYS 53 16.112 -6.352 1.752 952 H LEU 54 H LEU 54 9.398 -11.208 0.866 953 HA LEU 54 HA LEU 54 9.900 -13.848 1.544 954 HG LEU 54 HG LEU 54 6.844 -13.410 3.459 955 HB2 LEU 54 1HB LEU 54 7.683 -12.033 1.616 956 HB3 LEU 54 2HB LEU 54 7.128 -13.622 1.061 957 HD11 LEU 54 1HD1 LEU 54 7.453 -15.532 3.872 958 HD12 LEU 54 2HD1 LEU 54 9.134 -15.250 3.422 959 HD13 LEU 54 3HD1 LEU 54 7.922 -15.530 2.172 960 HD21 LEU 54 3HD2 LEU 54 8.593 -11.770 3.900 961 HD22 LEU 54 1HD2 LEU 54 9.828 -12.978 3.547 962 HD23 LEU 54 2HD2 LEU 54 8.773 -13.179 4.946 963 H ALA 55 H ALA 55 8.838 -12.490 -1.471 964 HA ALA 55 HA ALA 55 7.867 -14.921 -2.612 965 HB1 ALA 55 3HB ALA 55 8.858 -12.784 -4.398 966 HB2 ALA 55 1HB ALA 55 7.339 -13.680 -4.429 967 HB3 ALA 55 2HB ALA 55 7.556 -12.353 -3.288 968 H GLU 56 H GLU 56 10.968 -13.262 -2.552 969 HA GLU 56 HA GLU 56 12.324 -14.597 -4.555 970 HE2 GLU 56 HE2 GLU 56 17.611 -12.727 -2.604 971 HB2 GLU 56 1HB GLU 56 13.311 -12.722 -3.390 972 HB3 GLU 56 2HB GLU 56 13.349 -13.643 -1.879 973 HG2 GLU 56 1HG GLU 56 14.882 -15.279 -3.041 974 HG3 GLU 56 2HG GLU 56 14.993 -14.093 -4.349 975 H GLU 57 H GLU 57 11.516 -15.674 -1.318 976 HA GLU 57 HA GLU 57 13.195 -17.948 -1.254 977 HE2 GLU 57 HE2 GLU 57 14.093 -18.863 3.331 978 HB2 GLU 57 1HB GLU 57 12.090 -16.893 0.730 979 HB3 GLU 57 2HB GLU 57 10.558 -17.586 0.174 980 HG2 GLU 57 1HG GLU 57 11.015 -19.572 1.051 981 HG3 GLU 57 2HG GLU 57 12.630 -19.593 0.329 982 H ARG 58 H ARG 58 9.874 -17.447 -2.346 983 HA ARG 58 HA ARG 58 9.453 -20.226 -2.949 984 HE ARG 58 HE ARG 58 5.783 -17.135 0.072 985 HB2 ARG 58 1HB ARG 58 7.884 -17.731 -3.631 986 HB3 ARG 58 2HB ARG 58 7.362 -19.371 -4.050 987 HG2 ARG 58 1HG ARG 58 6.208 -19.141 -2.114 988 HG3 ARG 58 2HG ARG 58 7.736 -19.742 -1.447 989 HD2 ARG 58 1HD ARG 58 8.455 -17.535 -0.866 990 HD3 ARG 58 2HD ARG 58 7.109 -16.814 -1.758 991 HH11 ARG 58 1HH1 ARG 58 8.566 -19.211 0.327 992 HH12 ARG 58 2HH1 ARG 58 8.179 -19.750 1.928 993 HH21 ARG 58 1HH2 ARG 58 5.264 -17.837 2.179 994 HH22 ARG 58 2HH2 ARG 58 6.300 -18.969 2.980 995 H LEU 59 H LEU 59 10.612 -17.418 -4.639 996 HA LEU 59 HA LEU 59 10.366 -18.633 -7.253 997 HG LEU 59 HG LEU 59 11.170 -15.330 -8.752 998 HB2 LEU 59 1HB LEU 59 10.186 -16.136 -6.697 999 HB3 LEU 59 2HB LEU 59 11.954 -16.175 -6.585 1000 HD11 LEU 59 1HD1 LEU 59 12.647 -16.604 -10.112 1001 HD12 LEU 59 2HD1 LEU 59 12.483 -18.020 -9.074 1002 HD13 LEU 59 3HD1 LEU 59 13.322 -16.586 -8.483 1003 HD21 LEU 59 3HD2 LEU 59 9.140 -16.990 -8.645 1004 HD22 LEU 59 1HD2 LEU 59 10.244 -18.061 -9.505 1005 HD23 LEU 59 2HD2 LEU 59 9.819 -16.495 -10.195 1006 H LYS 60 H LYS 60 13.196 -17.220 -5.610 1007 HA LYS 60 HA LYS 60 14.828 -19.375 -6.776 1008 HB2 LYS 60 1HB LYS 60 16.746 -17.739 -6.271 1009 HB3 LYS 60 2HB LYS 60 15.662 -17.355 -7.618 1010 HG2 LYS 60 1HG LYS 60 14.753 -16.223 -5.090 1011 HG3 LYS 60 2HG LYS 60 16.364 -15.660 -5.572 1012 HD2 LYS 60 1HD LYS 60 14.940 -15.556 -7.937 1013 HD3 LYS 60 2HD LYS 60 13.755 -15.051 -6.720 1014 HE2 LYS 60 1HE LYS 60 14.919 -13.156 -6.151 1015 HE3 LYS 60 2HE LYS 60 16.480 -13.875 -6.574 1016 HZ1 LYS 60 3HZ LYS 60 15.570 -12.062 -8.085 1017 HZ2 LYS 60 1HZ LYS 60 14.481 -13.227 -8.652 1018 HZ3 LYS 60 2HZ LYS 60 16.146 -13.468 -8.830 1019 H LYS 61 H LYS 61 17.049 -19.369 -5.329 1020 HA LYS 61 HA LYS 61 16.119 -20.178 -2.665 1021 HB2 LYS 61 1HB LYS 61 18.576 -20.915 -4.268 1022 HB3 LYS 61 2HB LYS 61 18.334 -21.393 -2.579 1023 HG2 LYS 61 1HG LYS 61 15.991 -22.116 -4.000 1024 HG3 LYS 61 2HG LYS 61 17.391 -22.661 -4.940 1025 HD2 LYS 61 1HD LYS 61 18.156 -24.065 -3.266 1026 HD3 LYS 61 2HD LYS 61 17.317 -23.158 -1.995 1027 HE2 LYS 61 1HE LYS 61 15.210 -24.000 -3.507 1028 HE3 LYS 61 2HE LYS 61 16.349 -25.339 -3.713 1029 HZ1 LYS 61 3HZ LYS 61 16.292 -24.590 -1.001 1030 HZ2 LYS 61 1HZ LYS 61 15.844 -26.065 -1.700 1031 HZ3 LYS 61 2HZ LYS 61 14.703 -24.827 -1.531 1032 H LEU 62 H LEU 62 16.627 -17.401 -3.378 1033 HA LEU 62 HA LEU 62 17.673 -15.540 -2.588 1034 HG LEU 62 HG LEU 62 15.767 -16.030 -1.043 1035 HB2 LEU 62 1HB LEU 62 18.253 -17.368 -0.250 1036 HB3 LEU 62 2HB LEU 62 18.353 -15.598 -0.238 1037 HD11 LEU 62 1HD1 LEU 62 14.788 -17.758 0.150 1038 HD12 LEU 62 2HD1 LEU 62 16.172 -17.938 1.225 1039 HD13 LEU 62 3HD1 LEU 62 16.277 -18.491 -0.446 1040 HD21 LEU 62 3HD2 LEU 62 15.244 -14.893 0.853 1041 HD22 LEU 62 1HD2 LEU 62 16.985 -14.614 0.849 1042 HD23 LEU 62 2HD2 LEU 62 16.298 -15.878 1.869 1043 HC1 HLT 101 HC1 HLT 101 -0.039 -1.044 -2.582 Start of MODEL 10 1 HA MET 1 HA MET 1 -12.589 25.305 3.126 2 H1 MET 1 1H MET 1 -11.838 24.887 5.924 3 HB2 MET 1 1HB MET 1 -10.598 26.486 4.979 4 HB3 MET 1 2HB MET 1 -10.110 26.351 3.282 5 HG2 MET 1 1HG MET 1 -11.254 28.177 2.781 6 HG3 MET 1 2HG MET 1 -12.737 27.397 3.336 7 HE1 MET 1 3HE MET 1 -12.617 31.004 4.502 8 HE2 MET 1 1HE MET 1 -10.862 30.897 4.359 9 HE3 MET 1 2HE MET 1 -11.893 30.227 3.094 10 H LYS 2 H LYS 2 -11.899 24.008 1.554 11 HA LYS 2 HA LYS 2 -9.363 22.700 1.608 12 HB2 LYS 2 1HB LYS 2 -10.139 20.394 1.626 13 HB3 LYS 2 2HB LYS 2 -10.613 21.213 3.123 14 HG2 LYS 2 1HG LYS 2 -12.610 21.301 0.957 15 HG3 LYS 2 2HG LYS 2 -12.271 19.698 1.632 16 HD2 LYS 2 1HD LYS 2 -13.596 20.169 3.357 17 HD3 LYS 2 2HD LYS 2 -12.470 21.457 3.824 18 HE2 LYS 2 1HE LYS 2 -13.706 23.117 2.778 19 HE3 LYS 2 2HE LYS 2 -14.483 21.970 1.676 20 HZ1 LYS 2 3HZ LYS 2 -16.080 21.478 3.164 21 HZ2 LYS 2 1HZ LYS 2 -15.690 22.995 3.805 22 HZ3 LYS 2 2HZ LYS 2 -15.050 21.592 4.501 23 H LYS 3 H LYS 3 -8.847 21.682 -0.380 24 HA LYS 3 HA LYS 3 -10.619 21.246 -2.495 25 HB2 LYS 3 1HB LYS 3 -9.839 24.023 -2.107 26 HB3 LYS 3 2HB LYS 3 -9.362 23.420 -3.702 27 HG2 LYS 3 1HG LYS 3 -11.500 23.194 -4.429 28 HG3 LYS 3 2HG LYS 3 -12.119 22.818 -2.812 29 HD2 LYS 3 1HD LYS 3 -11.481 25.315 -2.304 30 HD3 LYS 3 2HD LYS 3 -11.585 25.475 -4.065 31 HE2 LYS 3 1HE LYS 3 -13.865 24.776 -4.093 32 HE3 LYS 3 2HE LYS 3 -13.783 24.264 -2.402 33 HZ1 LYS 3 3HZ LYS 3 -13.640 26.500 -1.682 34 HZ2 LYS 3 1HZ LYS 3 -14.911 26.438 -2.799 35 HZ3 LYS 3 2HZ LYS 3 -13.414 27.079 -3.256 36 H LEU 4 H LEU 4 -7.379 22.285 -1.569 37 HA LEU 4 HA LEU 4 -6.198 20.922 -3.854 38 HG LEU 4 HG LEU 4 -4.089 23.933 -3.522 39 HB2 LEU 4 1HB LEU 4 -5.197 22.742 -1.702 40 HB3 LEU 4 2HB LEU 4 -4.051 21.700 -2.562 41 HD11 LEU 4 1HD1 LEU 4 -3.916 21.737 -4.904 42 HD12 LEU 4 2HD1 LEU 4 -4.090 23.283 -5.732 43 HD13 LEU 4 3HD1 LEU 4 -5.489 22.227 -5.534 44 HD21 LEU 4 3HD2 LEU 4 -5.957 25.047 -4.211 45 HD22 LEU 4 1HD2 LEU 4 -6.649 24.112 -2.885 46 HD23 LEU 4 2HD2 LEU 4 -6.854 23.565 -4.549 47 H ARG 5 H ARG 5 -6.492 20.575 -0.369 48 HA ARG 5 HA ARG 5 -4.654 18.433 -0.092 49 HE ARG 5 HE ARG 5 -6.532 21.394 4.666 50 HB2 ARG 5 1HB ARG 5 -7.043 18.992 1.674 51 HB3 ARG 5 2HB ARG 5 -5.544 18.161 2.115 52 HG2 ARG 5 1HG ARG 5 -4.399 20.412 1.506 53 HG3 ARG 5 2HG ARG 5 -6.029 21.077 1.704 54 HD2 ARG 5 1HD ARG 5 -5.669 19.419 3.925 55 HD3 ARG 5 2HD ARG 5 -4.121 20.250 3.712 56 HH11 ARG 5 1HH1 ARG 5 -3.731 22.096 2.723 57 HH12 ARG 5 2HH1 ARG 5 -3.780 23.800 3.034 58 HH21 ARG 5 1HH2 ARG 5 -6.609 23.634 5.083 59 HH22 ARG 5 2HH2 ARG 5 -5.417 24.674 4.377 60 H GLU 6 H GLU 6 -8.116 18.598 -0.730 61 HA GLU 6 HA GLU 6 -8.827 15.950 -0.351 62 HE2 GLU 6 HE2 GLU 6 -14.065 16.966 -2.305 63 HB2 GLU 6 1HB GLU 6 -9.973 18.261 -1.541 64 HB3 GLU 6 2HB GLU 6 -10.155 16.925 -2.689 65 HG2 GLU 6 1HG GLU 6 -10.899 15.726 -0.359 66 HG3 GLU 6 2HG GLU 6 -11.463 17.385 -0.111 67 H GLU 7 H GLU 7 -7.082 17.434 -2.991 68 HA GLU 7 HA GLU 7 -7.321 15.500 -4.959 69 HE2 GLU 7 HE2 GLU 7 -7.456 16.438 -8.442 70 HB2 GLU 7 1HB GLU 7 -5.010 17.300 -4.224 71 HB3 GLU 7 2HB GLU 7 -4.999 16.262 -5.659 72 HG2 GLU 7 1HG GLU 7 -6.945 18.491 -5.069 73 HG3 GLU 7 2HG GLU 7 -5.637 18.508 -6.261 74 H ALA 8 H ALA 8 -5.088 15.626 -2.216 75 HA ALA 8 HA ALA 8 -3.686 13.247 -2.925 76 HB1 ALA 8 3HB ALA 8 -3.609 15.207 -0.782 77 HB2 ALA 8 1HB ALA 8 -3.319 13.564 -0.210 78 HB3 ALA 8 2HB ALA 8 -2.309 14.245 -1.485 79 H ALA 9 H ALA 9 -6.605 13.928 -1.177 80 HA ALA 9 HA ALA 9 -6.858 11.660 0.409 81 HB1 ALA 9 3HB ALA 9 -9.153 12.970 -1.031 82 HB2 ALA 9 1HB ALA 9 -9.176 12.129 0.520 83 HB3 ALA 9 2HB ALA 9 -8.360 13.686 0.373 84 H LYS 10 H LYS 10 -7.921 12.153 -2.951 85 HA LYS 10 HA LYS 10 -9.070 9.660 -3.384 86 HB2 LYS 10 1HB LYS 10 -7.507 11.222 -5.447 87 HB3 LYS 10 2HB LYS 10 -8.845 10.097 -5.731 88 HG2 LYS 10 1HG LYS 10 -10.225 11.749 -4.277 89 HG3 LYS 10 2HG LYS 10 -8.922 12.885 -4.664 90 HD2 LYS 10 1HD LYS 10 -10.385 13.307 -6.392 91 HD3 LYS 10 2HD LYS 10 -9.341 12.072 -7.120 92 HE2 LYS 10 1HE LYS 10 -11.008 10.339 -6.387 93 HE3 LYS 10 2HE LYS 10 -12.067 11.670 -5.899 94 HZ1 LYS 10 3HZ LYS 10 -12.288 10.613 -8.248 95 HZ2 LYS 10 1HZ LYS 10 -10.998 11.638 -8.635 96 HZ3 LYS 10 2HZ LYS 10 -12.450 12.286 -8.057 97 H LEU 11 H LEU 11 -5.698 10.669 -3.606 98 HA LEU 11 HA LEU 11 -4.572 8.476 -4.842 99 HG LEU 11 HG LEU 11 -4.010 11.655 -4.084 100 HB2 LEU 11 1HB LEU 11 -3.366 9.945 -2.495 101 HB3 LEU 11 2HB LEU 11 -2.507 9.059 -3.766 102 HD11 LEU 11 1HD1 LEU 11 -1.627 12.331 -4.829 103 HD12 LEU 11 2HD1 LEU 11 -1.119 10.906 -3.923 104 HD13 LEU 11 3HD1 LEU 11 -1.986 12.207 -3.106 105 HD21 LEU 11 3HD2 LEU 11 -2.553 9.989 -6.134 106 HD22 LEU 11 1HD2 LEU 11 -3.184 11.615 -6.397 107 HD23 LEU 11 2HD2 LEU 11 -4.291 10.282 -6.066 108 H PHE 12 H PHE 12 -5.430 8.884 -1.435 109 HA PHE 12 HA PHE 12 -4.397 6.341 -0.638 110 HD1 PHE 12 HD2 PHE 12 -2.871 6.826 0.567 111 HD2 PHE 12 HD1 PHE 12 -5.359 9.985 1.962 112 HE1 PHE 12 HE2 PHE 12 -0.879 8.058 1.321 113 HE2 PHE 12 HE1 PHE 12 -3.370 11.222 2.717 114 HZ PHE 12 HZ PHE 12 -1.127 10.258 2.398 115 HB2 PHE 12 1HB PHE 12 -6.310 8.256 0.722 116 HB3 PHE 12 2HB PHE 12 -5.669 6.794 1.477 117 H GLU 13 H GLU 13 -7.395 7.485 -1.941 118 HA GLU 13 HA GLU 13 -9.147 5.492 -1.074 119 HE2 GLU 13 HE2 GLU 13 -12.991 8.678 -1.027 120 HB2 GLU 13 1HB GLU 13 -9.365 7.700 -2.653 121 HB3 GLU 13 2HB GLU 13 -9.520 6.406 -3.851 122 HG2 GLU 13 1HG GLU 13 -11.693 6.478 -3.326 123 HG3 GLU 13 2HG GLU 13 -11.195 5.509 -1.931 124 H GLU 14 H GLU 14 -6.946 5.569 -3.842 125 HA GLU 14 HA GLU 14 -7.786 3.027 -4.855 126 HE2 GLU 14 HE2 GLU 14 -7.007 4.844 -9.667 127 HB2 GLU 14 1HB GLU 14 -5.170 4.408 -5.455 128 HB3 GLU 14 2HB GLU 14 -6.065 3.271 -6.475 129 HG2 GLU 14 1HG GLU 14 -7.933 5.123 -6.352 130 HG3 GLU 14 2HG GLU 14 -6.549 6.162 -5.988 131 H TRP 15 H TRP 15 -5.432 4.131 -2.556 132 HA TRP 15 HA TRP 15 -3.695 1.933 -2.537 133 HD1 TRP 15 HD1 TRP 15 -2.428 3.499 -3.438 134 HE1 TRP 15 HE1 TRP 15 0.028 4.259 -3.313 135 HE3 TRP 15 HE3 TRP 15 -1.987 3.988 1.632 136 HZ2 TRP 15 HZ2 TRP 15 1.904 4.972 -1.327 137 HZ3 TRP 15 HZ3 TRP 15 0.172 4.712 2.563 138 HH2 TRP 15 HH2 TRP 15 2.076 5.194 1.113 139 HB2 TRP 15 1HB TRP 15 -4.337 4.178 -0.731 140 HB3 TRP 15 2HB TRP 15 -3.674 2.752 0.068 141 H LYS 16 H LYS 16 -6.603 2.576 -0.594 142 HA LYS 16 HA LYS 16 -6.491 0.021 0.709 143 HB2 LYS 16 1HB LYS 16 -8.478 0.660 1.833 144 HB3 LYS 16 2HB LYS 16 -7.501 2.129 1.681 145 HG2 LYS 16 1HG LYS 16 -8.848 2.808 -0.271 146 HG3 LYS 16 2HG LYS 16 -9.856 1.370 -0.035 147 HD2 LYS 16 1HD LYS 16 -9.452 3.190 2.293 148 HD3 LYS 16 2HD LYS 16 -10.523 3.723 0.984 149 HE2 LYS 16 1HE LYS 16 -11.714 1.497 1.196 150 HE3 LYS 16 2HE LYS 16 -10.771 1.243 2.673 151 HZ1 LYS 16 3HZ LYS 16 -13.147 2.664 2.392 152 HZ2 LYS 16 1HZ LYS 16 -11.946 3.796 2.768 153 HZ3 LYS 16 2HZ LYS 16 -12.212 2.473 3.789 154 H LYS 17 H LYS 17 -7.979 1.321 -2.149 155 HA LYS 17 HA LYS 17 -9.935 -0.712 -2.505 156 HB2 LYS 17 1HB LYS 17 -9.959 1.558 -3.584 157 HB3 LYS 17 2HB LYS 17 -8.659 0.994 -4.647 158 HG2 LYS 17 1HG LYS 17 -10.099 -0.731 -5.564 159 HG3 LYS 17 2HG LYS 17 -11.396 -0.251 -4.455 160 HD2 LYS 17 1HD LYS 17 -10.334 1.979 -6.031 161 HD3 LYS 17 2HD LYS 17 -11.052 0.689 -7.012 162 HE2 LYS 17 1HE LYS 17 -12.513 1.717 -4.601 163 HE3 LYS 17 2HE LYS 17 -12.547 2.628 -6.117 164 HZ1 LYS 17 3HZ LYS 17 -13.180 0.313 -7.101 165 HZ2 LYS 17 1HZ LYS 17 -14.359 1.284 -6.371 166 HZ3 LYS 17 2HZ LYS 17 -13.681 -0.010 -5.518 167 H LEU 18 H LEU 18 -6.744 -0.171 -3.996 168 HA LEU 18 HA LEU 18 -6.660 -2.431 -5.600 169 HG LEU 18 HG LEU 18 -5.796 0.004 -6.305 170 HB2 LEU 18 1HB LEU 18 -4.489 -0.887 -4.195 171 HB3 LEU 18 2HB LEU 18 -4.139 -2.251 -5.272 172 HD11 LEU 18 1HD1 LEU 18 -4.069 1.459 -6.605 173 HD12 LEU 18 2HD1 LEU 18 -2.845 0.191 -6.574 174 HD13 LEU 18 3HD1 LEU 18 -3.580 0.744 -5.069 175 HD21 LEU 18 3HD2 LEU 18 -4.375 -0.608 -8.347 176 HD22 LEU 18 1HD2 LEU 18 -5.595 -1.767 -7.816 177 HD23 LEU 18 2HD2 LEU 18 -3.896 -2.032 -7.422 178 H ALA 19 H ALA 19 -5.966 -2.074 -2.173 179 HA ALA 19 HA ALA 19 -4.810 -4.626 -1.777 180 HB1 ALA 19 3HB ALA 19 -5.571 -4.180 0.651 181 HB2 ALA 19 1HB ALA 19 -4.368 -3.115 -0.074 182 HB3 ALA 19 2HB ALA 19 -6.050 -2.597 0.040 183 H GLU 20 H GLU 20 -8.068 -3.555 -2.155 184 HA GLU 20 HA GLU 20 -9.327 -5.761 -0.851 185 HE2 GLU 20 HE2 GLU 20 -11.928 -2.911 1.419 186 HB2 GLU 20 1HB GLU 20 -10.214 -3.354 -1.639 187 HB3 GLU 20 2HB GLU 20 -10.753 -4.322 -3.021 188 HG2 GLU 20 1HG GLU 20 -12.598 -4.426 -1.667 189 HG3 GLU 20 2HG GLU 20 -11.731 -5.893 -1.192 190 H GLU 21 H GLU 21 -8.718 -4.949 -4.261 191 HA GLU 21 HA GLU 21 -9.776 -7.407 -5.248 192 HE2 GLU 21 HE2 GLU 21 -9.814 -3.547 -9.594 193 HB2 GLU 21 1HB GLU 21 -7.875 -5.505 -6.636 194 HB3 GLU 21 2HB GLU 21 -8.927 -6.707 -7.399 195 HG2 GLU 21 1HG GLU 21 -10.877 -5.489 -6.920 196 HG3 GLU 21 2HG GLU 21 -10.033 -4.459 -5.756 197 H ALA 22 H ALA 22 -6.461 -6.161 -4.881 198 HA ALA 22 HA ALA 22 -5.078 -8.378 -5.810 199 HB1 ALA 22 3HB ALA 22 -4.272 -6.462 -3.624 200 HB2 ALA 22 1HB ALA 22 -3.185 -7.563 -4.472 201 HB3 ALA 22 2HB ALA 22 -3.985 -6.261 -5.353 202 H ALA 23 H ALA 23 -6.644 -7.845 -2.734 203 HA ALA 23 HA ALA 23 -5.402 -9.998 -1.346 204 HB1 ALA 23 3HB ALA 23 -6.293 -8.506 0.137 205 HB2 ALA 23 1HB ALA 23 -7.724 -8.207 -0.851 206 HB3 ALA 23 2HB ALA 23 -7.595 -9.695 0.088 207 H LYS 24 H LYS 24 -8.650 -9.640 -2.776 208 HA LYS 24 HA LYS 24 -9.445 -12.306 -2.341 209 HB2 LYS 24 1HB LYS 24 -11.190 -11.837 -4.059 210 HB3 LYS 24 2HB LYS 24 -11.100 -10.616 -2.779 211 HG2 LYS 24 1HG LYS 24 -9.833 -9.136 -4.258 212 HG3 LYS 24 2HG LYS 24 -9.922 -10.357 -5.540 213 HD2 LYS 24 1HD LYS 24 -12.484 -9.494 -4.293 214 HD3 LYS 24 2HD LYS 24 -11.662 -8.348 -5.365 215 HE2 LYS 24 1HE LYS 24 -11.888 -9.702 -7.230 216 HE3 LYS 24 2HE LYS 24 -12.024 -11.173 -6.257 217 HZ1 LYS 24 3HZ LYS 24 -14.213 -10.065 -5.454 218 HZ2 LYS 24 1HZ LYS 24 -14.174 -10.868 -6.943 219 HZ3 LYS 24 2HZ LYS 24 -14.086 -9.180 -6.890 220 H LEU 25 H LEU 25 -7.700 -10.755 -4.960 221 HA LEU 25 HA LEU 25 -7.838 -13.018 -6.718 222 HG LEU 25 HG LEU 25 -8.579 -10.834 -8.196 223 HB2 LEU 25 1HB LEU 25 -6.691 -10.319 -6.746 224 HB3 LEU 25 2HB LEU 25 -5.707 -11.531 -7.585 225 HD11 LEU 25 1HD1 LEU 25 -6.693 -9.227 -8.843 226 HD12 LEU 25 2HD1 LEU 25 -7.803 -9.749 -10.109 227 HD13 LEU 25 3HD1 LEU 25 -6.202 -10.476 -9.987 228 HD21 LEU 25 3HD2 LEU 25 -7.222 -12.398 -10.190 229 HD22 LEU 25 1HD2 LEU 25 -8.746 -12.716 -9.361 230 HD23 LEU 25 2HD2 LEU 25 -7.224 -13.243 -8.642 231 H LEU 26 H LEU 26 -5.485 -11.724 -4.429 232 HA LEU 26 HA LEU 26 -3.270 -13.250 -5.015 233 HG LEU 26 HG LEU 26 -2.479 -11.061 -4.241 234 HB2 LEU 26 1HB LEU 26 -4.344 -11.910 -2.623 235 HB3 LEU 26 2HB LEU 26 -3.196 -13.220 -2.297 236 HD11 LEU 26 1HD1 LEU 26 -1.637 -10.724 -1.431 237 HD12 LEU 26 2HD1 LEU 26 -3.310 -10.313 -1.808 238 HD13 LEU 26 3HD1 LEU 26 -1.991 -9.516 -2.668 239 HD21 LEU 26 3HD2 LEU 26 -0.296 -11.725 -3.849 240 HD22 LEU 26 1HD2 LEU 26 -1.176 -13.252 -3.777 241 HD23 LEU 26 2HD2 LEU 26 -0.686 -12.446 -2.287 242 H GLU 27 H GLU 27 -5.957 -14.114 -2.846 243 HA GLU 27 HA GLU 27 -4.939 -16.833 -2.627 244 HE2 GLU 27 HE2 GLU 27 -5.838 -17.248 2.442 245 HB2 GLU 27 1HB GLU 27 -7.422 -15.606 -1.403 246 HB3 GLU 27 2HB GLU 27 -6.697 -17.165 -0.980 247 HG2 GLU 27 1HG GLU 27 -4.711 -15.124 -0.725 248 HG3 GLU 27 2HG GLU 27 -6.174 -14.635 0.143 249 H GLY 28 H GLY 28 -6.362 -15.423 -5.037 250 HA2 GLY 28 1HA GLY 28 -8.789 -16.722 -5.533 251 HA3 GLY 28 2HA GLY 28 -7.703 -16.105 -6.769 252 H GLY 29 H GLY 29 -5.647 -18.031 -5.405 253 HA2 GLY 29 1HA GLY 29 -5.977 -20.604 -5.414 254 HA3 GLY 29 2HA GLY 29 -6.407 -20.315 -7.094 255 H GLY 30 H GLY 30 -3.836 -18.957 -5.036 256 HA2 GLY 30 1HA GLY 30 -1.924 -19.251 -7.173 257 HA3 GLY 30 2HA GLY 30 -1.610 -18.598 -5.572 258 H GLY 31 H GLY 31 -2.418 -20.748 -3.991 259 HA2 GLY 31 1HA GLY 31 -1.938 -23.040 -3.575 260 HA3 GLY 31 2HA GLY 31 -0.791 -23.012 -4.906 261 H GLY 32 H GLY 32 -0.879 -23.460 -1.751 262 HA2 GLY 32 1HA GLY 32 1.716 -23.413 -1.122 263 HA3 GLY 32 2HA GLY 32 1.309 -21.710 -0.969 264 H GLY 33 H GLY 33 1.203 -21.248 1.130 265 HA2 GLY 33 1HA GLY 33 -0.831 -22.034 2.805 266 HA3 GLY 33 2HA GLY 33 0.469 -23.179 3.108 267 H GLY 34 H GLY 34 -0.182 -19.684 2.930 268 HA2 GLY 34 1HA GLY 34 1.810 -19.335 5.087 269 HA3 GLY 34 2HA GLY 34 1.567 -18.155 3.807 270 H GLY 35 H GLY 35 0.269 -19.518 6.752 271 HA2 GLY 35 1HA GLY 35 -2.184 -18.251 6.927 272 HA3 GLY 35 2HA GLY 35 -1.166 -18.628 8.310 273 H GLU 36 H GLU 36 0.421 -17.043 8.974 274 HA GLU 36 HA GLU 36 -0.640 -14.440 9.091 275 HE2 GLU 36 HE2 GLU 36 3.082 -12.918 13.095 276 HB2 GLU 36 1HB GLU 36 0.724 -15.101 10.893 277 HB3 GLU 36 2HB GLU 36 2.038 -15.603 9.819 278 HG2 GLU 36 1HG GLU 36 2.490 -13.285 9.233 279 HG3 GLU 36 2HG GLU 36 1.149 -12.762 10.264 280 H LEU 37 H LEU 37 1.383 -15.984 6.784 281 HA LEU 37 HA LEU 37 2.884 -13.933 5.723 282 HG LEU 37 HG LEU 37 1.732 -14.616 2.669 283 HB2 LEU 37 1HB LEU 37 3.266 -16.056 4.839 284 HB3 LEU 37 2HB LEU 37 1.547 -16.310 4.487 285 HD11 LEU 37 1HD1 LEU 37 4.568 -14.768 2.322 286 HD12 LEU 37 2HD1 LEU 37 4.198 -14.077 3.902 287 HD13 LEU 37 3HD1 LEU 37 3.533 -13.344 2.443 288 HD21 LEU 37 3HD2 LEU 37 3.600 -16.975 2.465 289 HD22 LEU 37 1HD2 LEU 37 2.895 -16.090 1.112 290 HD23 LEU 37 2HD2 LEU 37 1.856 -17.009 2.200 291 H MET 38 H MET 38 -0.540 -14.607 5.285 292 HA MET 38 HA MET 38 -0.940 -12.674 3.225 293 HB2 MET 38 1HB MET 38 -2.500 -14.471 3.367 294 HB3 MET 38 2HB MET 38 -2.835 -14.124 5.071 295 HG2 MET 38 1HG MET 38 -4.423 -12.649 4.569 296 HG3 MET 38 2HG MET 38 -3.384 -11.836 3.395 297 HE1 MET 38 3HE MET 38 -3.008 -12.462 1.094 298 HE2 MET 38 1HE MET 38 -2.895 -14.221 1.042 299 HE3 MET 38 2HE MET 38 -4.105 -13.386 0.066 300 H LYS 39 H LYS 39 -1.127 -12.645 6.729 301 HA LYS 39 HA LYS 39 -2.484 -10.233 7.102 302 HB2 LYS 39 1HB LYS 39 -1.967 -11.879 8.890 303 HB3 LYS 39 2HB LYS 39 -0.273 -11.367 8.825 304 HG2 LYS 39 1HG LYS 39 -1.608 -8.984 9.161 305 HG3 LYS 39 2HG LYS 39 -2.550 -10.123 10.140 306 HD2 LYS 39 1HD LYS 39 0.003 -10.831 10.804 307 HD3 LYS 39 2HD LYS 39 0.164 -9.084 10.550 308 HE2 LYS 39 1HE LYS 39 -2.062 -9.038 12.011 309 HE3 LYS 39 2HE LYS 39 -1.398 -10.573 12.594 310 HZ1 LYS 39 3HZ LYS 39 0.593 -9.479 13.281 311 HZ2 LYS 39 1HZ LYS 39 -0.716 -8.618 13.919 312 HZ3 LYS 39 2HZ LYS 39 0.114 -8.019 12.573 313 H LEU 40 H LEU 40 0.797 -10.879 6.158 314 HA LEU 40 HA LEU 40 1.993 -8.435 6.813 315 HG LEU 40 HG LEU 40 3.910 -10.151 7.195 316 HB2 LEU 40 1HB LEU 40 2.605 -10.751 5.185 317 HB3 LEU 40 2HB LEU 40 3.156 -9.253 4.414 318 HD11 LEU 40 1HD1 LEU 40 5.295 -11.532 6.120 319 HD12 LEU 40 2HD1 LEU 40 6.187 -10.079 5.671 320 HD13 LEU 40 3HD1 LEU 40 4.999 -10.761 4.562 321 HD21 LEU 40 3HD2 LEU 40 5.218 -7.984 5.590 322 HD22 LEU 40 1HD2 LEU 40 5.301 -8.289 7.325 323 HD23 LEU 40 2HD2 LEU 40 3.820 -7.648 6.613 324 H CYS 41 H CYS 41 0.781 -9.457 3.614 325 HA CYS 41 HA CYS 41 0.908 -6.839 2.524 326 HG CYS 41 HG CYS 41 -0.357 -10.959 1.515 327 HB2 CYS 41 1HB CYS 41 -0.319 -7.772 0.625 328 HB3 CYS 41 2HB CYS 41 1.021 -8.828 1.104 329 H GLU 42 H GLU 42 -1.562 -8.656 4.194 330 HA GLU 42 HA GLU 42 -3.836 -7.224 3.486 331 HE2 GLU 42 HE2 GLU 42 -6.994 -9.974 7.576 332 HB2 GLU 42 1HB GLU 42 -3.941 -9.290 4.768 333 HB3 GLU 42 2HB GLU 42 -3.150 -8.497 6.140 334 HG2 GLU 42 1HG GLU 42 -5.021 -7.312 6.737 335 HG3 GLU 42 2HG GLU 42 -5.689 -7.352 5.098 336 H GLU 43 H GLU 43 -1.183 -6.331 5.519 337 HA GLU 43 HA GLU 43 -2.314 -4.395 7.149 338 HE2 GLU 43 HE2 GLU 43 1.221 -3.500 10.087 339 HB2 GLU 43 1HB GLU 43 0.415 -4.379 5.838 340 HB3 GLU 43 2HB GLU 43 -0.068 -3.363 7.206 341 HG2 GLU 43 1HG GLU 43 -0.606 -6.145 7.760 342 HG3 GLU 43 2HG GLU 43 1.086 -5.895 7.305 343 H ALA 44 H ALA 44 -1.572 -4.295 3.750 344 HA ALA 44 HA ALA 44 -1.465 -1.587 3.234 345 HB1 ALA 44 3HB ALA 44 -2.505 -2.201 1.001 346 HB2 ALA 44 1HB ALA 44 -1.029 -3.057 1.449 347 HB3 ALA 44 2HB ALA 44 -2.595 -3.852 1.616 348 H ALA 45 H ALA 45 -4.334 -3.638 3.597 349 HA ALA 45 HA ALA 45 -6.177 -1.504 3.097 350 HB1 ALA 45 3HB ALA 45 -7.541 -3.504 4.478 351 HB2 ALA 45 1HB ALA 45 -7.457 -3.282 2.731 352 HB3 ALA 45 2HB ALA 45 -6.309 -4.349 3.540 353 H LYS 46 H LYS 46 -4.467 -2.671 5.853 354 HA LYS 46 HA LYS 46 -6.245 -1.574 7.823 355 HB2 LYS 46 1HB LYS 46 -3.928 -3.247 7.789 356 HB3 LYS 46 2HB LYS 46 -3.625 -1.890 8.886 357 HG2 LYS 46 1HG LYS 46 -4.630 -3.204 10.401 358 HG3 LYS 46 2HG LYS 46 -6.115 -2.588 9.656 359 HD2 LYS 46 1HD LYS 46 -5.509 -4.672 7.997 360 HD3 LYS 46 2HD LYS 46 -4.933 -5.274 9.562 361 HE2 LYS 46 1HE LYS 46 -7.382 -4.144 10.186 362 HE3 LYS 46 2HE LYS 46 -7.654 -4.881 8.599 363 HZ1 LYS 46 3HZ LYS 46 -6.193 -6.586 10.385 364 HZ2 LYS 46 1HZ LYS 46 -7.570 -6.918 9.460 365 HZ3 LYS 46 2HZ LYS 46 -7.725 -6.184 10.976 366 H LYS 47 H LYS 47 -3.050 -0.650 6.554 367 HA LYS 47 HA LYS 47 -2.909 1.778 8.021 368 HB2 LYS 47 1HB LYS 47 -1.437 0.796 5.569 369 HB3 LYS 47 2HB LYS 47 -1.070 2.329 6.377 370 HG2 LYS 47 1HG LYS 47 -0.947 -0.378 7.709 371 HG3 LYS 47 2HG LYS 47 0.442 0.484 7.024 372 HD2 LYS 47 1HD LYS 47 0.645 1.784 8.830 373 HD3 LYS 47 2HD LYS 47 -1.082 2.181 8.808 374 HE2 LYS 47 1HE LYS 47 -0.191 -0.512 9.782 375 HE3 LYS 47 2HE LYS 47 -0.060 0.901 10.840 376 HZ1 LYS 47 3HZ LYS 47 -2.147 -0.177 11.222 377 HZ2 LYS 47 1HZ LYS 47 -2.540 -0.132 9.576 378 HZ3 LYS 47 2HZ LYS 47 -2.449 1.305 10.464 379 H ALA 48 H ALA 48 -3.763 1.031 4.654 380 HA ALA 48 HA ALA 48 -4.144 3.587 3.683 381 HB1 ALA 48 3HB ALA 48 -5.847 1.194 3.004 382 HB2 ALA 48 1HB ALA 48 -5.570 2.621 2.005 383 HB3 ALA 48 2HB ALA 48 -4.244 1.507 2.339 384 H GLU 49 H GLU 49 -6.492 1.521 5.377 385 HA GLU 49 HA GLU 49 -8.539 3.532 5.331 386 HE2 GLU 49 HE2 GLU 49 -11.896 1.056 9.239 387 HB2 GLU 49 1HB GLU 49 -8.856 0.988 5.413 388 HB3 GLU 49 2HB GLU 49 -8.487 1.126 7.140 389 HG2 GLU 49 1HG GLU 49 -10.504 3.039 6.297 390 HG3 GLU 49 2HG GLU 49 -10.972 1.364 5.965 391 H GLU 50 H GLU 50 -6.059 2.492 7.569 392 HA GLU 50 HA GLU 50 -7.023 3.752 9.890 393 HE2 GLU 50 HE2 GLU 50 -5.996 3.301 13.654 394 HB2 GLU 50 1HB GLU 50 -4.417 2.682 8.955 395 HB3 GLU 50 2HB GLU 50 -4.364 3.845 10.290 396 HG2 GLU 50 1HG GLU 50 -6.367 1.711 10.585 397 HG3 GLU 50 2HG GLU 50 -4.680 1.177 10.588 398 H LEU 51 H LEU 51 -4.669 4.877 7.466 399 HA LEU 51 HA LEU 51 -4.403 7.464 8.636 400 HG LEU 51 HG LEU 51 -4.442 5.727 5.386 401 HB2 LEU 51 1HB LEU 51 -3.093 8.030 6.704 402 HB3 LEU 51 2HB LEU 51 -2.661 6.401 7.251 403 HD11 LEU 51 1HD1 LEU 51 -4.867 7.238 3.792 404 HD12 LEU 51 2HD1 LEU 51 -3.229 7.888 3.831 405 HD13 LEU 51 3HD1 LEU 51 -4.419 8.426 5.016 406 HD21 LEU 51 3HD2 LEU 51 -1.566 6.485 4.886 407 HD22 LEU 51 1HD2 LEU 51 -2.545 5.457 3.839 408 HD23 LEU 51 2HD2 LEU 51 -2.159 4.932 5.479 409 H PHE 52 H PHE 52 -6.294 6.128 5.970 410 HA PHE 52 HA PHE 52 -7.297 8.553 4.967 411 HD1 PHE 52 HD2 PHE 52 -8.560 8.623 2.560 412 HD2 PHE 52 HD1 PHE 52 -10.743 5.838 4.924 413 HE1 PHE 52 HE2 PHE 52 -10.656 9.405 1.539 414 HE2 PHE 52 HE1 PHE 52 -12.844 6.615 3.906 415 HZ PHE 52 HZ PHE 52 -12.802 8.401 2.213 416 HB2 PHE 52 1HB PHE 52 -7.488 6.560 3.646 417 HB3 PHE 52 2HB PHE 52 -8.421 5.751 4.908 418 H LYS 53 H LYS 53 -8.099 6.717 7.774 419 HA LYS 53 HA LYS 53 -10.736 7.614 8.199 420 HB2 LYS 53 1HB LYS 53 -9.386 5.731 9.374 421 HB3 LYS 53 2HB LYS 53 -8.837 7.026 10.450 422 HG2 LYS 53 1HG LYS 53 -10.633 6.458 11.667 423 HG3 LYS 53 2HG LYS 53 -11.502 7.458 10.490 424 HD2 LYS 53 1HD LYS 53 -11.769 5.335 9.100 425 HD3 LYS 53 2HD LYS 53 -11.228 4.462 10.545 426 HE2 LYS 53 1HE LYS 53 -13.268 6.353 11.276 427 HE3 LYS 53 2HE LYS 53 -13.830 5.351 9.930 428 HZ1 LYS 53 3HZ LYS 53 -12.590 4.174 12.346 429 HZ2 LYS 53 1HZ LYS 53 -13.523 3.401 11.165 430 HZ3 LYS 53 2HZ LYS 53 -14.251 4.478 12.245 431 H LEU 54 H LEU 54 -7.718 8.727 9.750 432 HA LEU 54 HA LEU 54 -8.984 11.063 10.821 433 HG LEU 54 HG LEU 54 -6.072 11.431 13.007 434 HB2 LEU 54 1HB LEU 54 -6.745 9.639 11.448 435 HB3 LEU 54 2HB LEU 54 -6.055 11.053 10.632 436 HD11 LEU 54 1HD1 LEU 54 -6.588 13.313 11.455 437 HD12 LEU 54 2HD1 LEU 54 -7.216 13.525 13.088 438 HD13 LEU 54 3HD1 LEU 54 -8.300 13.047 11.782 439 HD21 LEU 54 3HD2 LEU 54 -8.546 10.051 12.895 440 HD22 LEU 54 1HD2 LEU 54 -8.849 11.653 13.566 441 HD23 LEU 54 2HD2 LEU 54 -7.654 10.595 14.317 442 H ALA 55 H ALA 55 -7.061 10.316 7.995 443 HA ALA 55 HA ALA 55 -6.247 12.832 7.188 444 HB1 ALA 55 3HB ALA 55 -6.188 11.944 4.921 445 HB2 ALA 55 1HB ALA 55 -5.568 10.762 6.074 446 HB3 ALA 55 2HB ALA 55 -7.194 10.583 5.415 447 H GLU 56 H GLU 56 -9.380 11.258 6.723 448 HA GLU 56 HA GLU 56 -10.563 13.073 4.992 449 HE2 GLU 56 HE2 GLU 56 -14.343 9.630 9.007 450 HB2 GLU 56 1HB GLU 56 -12.606 12.112 5.536 451 HB3 GLU 56 2HB GLU 56 -11.453 10.832 5.944 452 HG2 GLU 56 1HG GLU 56 -11.521 11.839 8.326 453 HG3 GLU 56 2HG GLU 56 -13.012 12.611 7.769 454 H GLU 57 H GLU 57 -9.834 13.375 8.368 455 HA GLU 57 HA GLU 57 -11.624 15.470 9.002 456 HE2 GLU 57 HE2 GLU 57 -7.521 16.784 12.787 457 HB2 GLU 57 1HB GLU 57 -10.436 14.052 10.671 458 HB3 GLU 57 2HB GLU 57 -8.934 14.892 10.253 459 HG2 GLU 57 1HG GLU 57 -10.430 17.024 10.820 460 HG3 GLU 57 2HG GLU 57 -11.256 15.828 11.827 461 H ARG 58 H ARG 58 -8.140 15.551 8.241 462 HA ARG 58 HA ARG 58 -8.139 18.416 8.011 463 HE ARG 58 HE ARG 58 -3.948 16.561 8.692 464 HB2 ARG 58 1HB ARG 58 -5.810 18.227 7.513 465 HB3 ARG 58 2HB ARG 58 -6.177 17.061 8.792 466 HG2 ARG 58 1HG ARG 58 -6.512 15.754 6.284 467 HG3 ARG 58 2HG ARG 58 -4.952 16.595 6.287 468 HD2 ARG 58 1HD ARG 58 -5.948 14.577 8.307 469 HD3 ARG 58 2HD ARG 58 -4.623 14.382 7.151 470 HH11 ARG 58 1HH1 ARG 58 -4.638 13.193 9.235 471 HH12 ARG 58 2HH1 ARG 58 -3.604 13.070 10.619 472 HH21 ARG 58 1HH2 ARG 58 -2.582 16.412 10.514 473 HH22 ARG 58 2HH2 ARG 58 -2.436 14.901 11.346 474 H LEU 59 H LEU 59 -8.946 15.854 5.956 475 HA LEU 59 HA LEU 59 -8.255 17.233 3.498 476 HG LEU 59 HG LEU 59 -7.074 14.715 4.199 477 HB2 LEU 59 1HB LEU 59 -9.603 14.607 4.107 478 HB3 LEU 59 2HB LEU 59 -9.476 15.259 2.464 479 HD11 LEU 59 1HD1 LEU 59 -8.666 12.896 2.456 480 HD12 LEU 59 2HD1 LEU 59 -7.867 12.572 3.993 481 HD13 LEU 59 3HD1 LEU 59 -6.912 12.716 2.519 482 HD21 LEU 59 3HD2 LEU 59 -7.493 15.307 1.279 483 HD22 LEU 59 1HD2 LEU 59 -5.996 14.624 1.914 484 HD23 LEU 59 2HD2 LEU 59 -6.538 16.214 2.453 485 H LYS 60 H LYS 60 -11.300 15.807 4.691 486 HA LYS 60 HA LYS 60 -12.713 18.148 3.593 487 HB2 LYS 60 1HB LYS 60 -14.618 16.219 3.489 488 HB3 LYS 60 2HB LYS 60 -13.578 16.663 2.127 489 HG2 LYS 60 1HG LYS 60 -12.635 14.570 4.036 490 HG3 LYS 60 2HG LYS 60 -13.873 14.161 2.834 491 HD2 LYS 60 1HD LYS 60 -11.657 15.679 1.687 492 HD3 LYS 60 2HD LYS 60 -11.141 14.152 2.425 493 HE2 LYS 60 1HE LYS 60 -13.352 14.453 0.376 494 HE3 LYS 60 2HE LYS 60 -11.708 13.882 0.050 495 HZ1 LYS 60 3HZ LYS 60 -12.627 11.880 0.384 496 HZ2 LYS 60 1HZ LYS 60 -13.936 12.490 1.266 497 HZ3 LYS 60 2HZ LYS 60 -12.446 12.241 2.027 498 H LYS 61 H LYS 61 -13.938 15.357 5.385 499 HA LYS 61 HA LYS 61 -14.004 16.440 7.940 500 HB2 LYS 61 1HB LYS 61 -15.884 17.680 6.182 501 HB3 LYS 61 2HB LYS 61 -16.778 16.720 7.373 502 HG2 LYS 61 1HG LYS 61 -16.077 17.990 9.151 503 HG3 LYS 61 2HG LYS 61 -14.601 18.516 8.320 504 HD2 LYS 61 1HD LYS 61 -15.772 20.073 6.981 505 HD3 LYS 61 2HD LYS 61 -17.339 19.367 7.411 506 HE2 LYS 61 1HE LYS 61 -15.482 20.781 9.340 507 HE3 LYS 61 2HE LYS 61 -16.903 21.502 8.572 508 HZ1 LYS 61 3HZ LYS 61 -16.809 19.348 10.591 509 HZ2 LYS 61 1HZ LYS 61 -18.175 19.578 9.619 510 HZ3 LYS 61 2HZ LYS 61 -17.652 20.814 10.647 511 H LEU 62 H LEU 62 -16.339 14.831 5.771 512 HA LEU 62 HA LEU 62 -17.329 12.786 5.855 513 HG LEU 62 HG LEU 62 -14.987 10.021 6.135 514 HB2 LEU 62 1HB LEU 62 -14.689 12.399 6.751 515 HB3 LEU 62 2HB LEU 62 -15.731 11.501 7.869 516 HD11 LEU 62 1HD1 LEU 62 -17.827 10.717 5.452 517 HD12 LEU 62 2HD1 LEU 62 -17.378 9.937 6.967 518 HD13 LEU 62 3HD1 LEU 62 -17.050 9.134 5.432 519 HD21 LEU 62 3HD2 LEU 62 -16.346 11.229 3.882 520 HD22 LEU 62 1HD2 LEU 62 -14.700 10.610 4.008 521 HD23 LEU 62 2HD2 LEU 62 -15.062 12.263 4.509 522 HA MET 1 HA MET 1 12.517 -23.054 -10.343 523 H1 MET 1 1H MET 1 13.163 -23.617 -7.544 524 HB2 MET 1 1HB MET 1 11.727 -25.119 -8.364 525 HB3 MET 1 2HB MET 1 10.485 -24.623 -9.524 526 HG2 MET 1 1HG MET 1 11.367 -25.936 -11.070 527 HG3 MET 1 2HG MET 1 12.881 -25.035 -10.967 528 HE1 MET 1 3HE MET 1 13.568 -28.757 -11.211 529 HE2 MET 1 1HE MET 1 11.954 -29.006 -10.544 530 HE3 MET 1 2HE MET 1 12.210 -27.797 -11.802 531 H LYS 2 H LYS 2 11.073 -21.560 -10.905 532 HA LYS 2 HA LYS 2 8.796 -20.909 -9.309 533 HB2 LYS 2 1HB LYS 2 9.338 -18.585 -8.834 534 HB3 LYS 2 2HB LYS 2 10.524 -19.660 -8.077 535 HG2 LYS 2 1HG LYS 2 11.234 -18.709 -10.775 536 HG3 LYS 2 2HG LYS 2 11.162 -17.468 -9.511 537 HD2 LYS 2 1HD LYS 2 13.180 -18.096 -8.813 538 HD3 LYS 2 2HD LYS 2 12.500 -19.675 -8.383 539 HE2 LYS 2 1HE LYS 2 13.182 -20.671 -10.365 540 HE3 LYS 2 2HE LYS 2 13.259 -19.124 -11.220 541 HZ1 LYS 2 3HZ LYS 2 15.340 -18.725 -10.505 542 HZ2 LYS 2 1HZ LYS 2 15.403 -20.406 -10.327 543 HZ3 LYS 2 2HZ LYS 2 15.090 -19.425 -8.985 544 H LYS 3 H LYS 3 7.325 -19.517 -10.387 545 HA LYS 3 HA LYS 3 7.830 -18.145 -12.768 546 HB2 LYS 3 1HB LYS 3 7.499 -21.022 -13.060 547 HB3 LYS 3 2HB LYS 3 6.278 -20.120 -13.972 548 HG2 LYS 3 1HG LYS 3 7.784 -19.250 -15.431 549 HG3 LYS 3 2HG LYS 3 9.082 -19.209 -14.224 550 HD2 LYS 3 1HD LYS 3 8.913 -21.827 -14.383 551 HD3 LYS 3 2HD LYS 3 8.170 -21.468 -15.951 552 HE2 LYS 3 1HE LYS 3 10.114 -20.317 -16.719 553 HE3 LYS 3 2HE LYS 3 10.820 -20.324 -15.097 554 HZ1 LYS 3 3HZ LYS 3 11.169 -22.649 -15.207 555 HZ2 LYS 3 1HZ LYS 3 11.747 -22.009 -16.663 556 HZ3 LYS 3 2HZ LYS 3 10.254 -22.803 -16.621 557 H LEU 4 H LEU 4 5.507 -20.066 -10.939 558 HA LEU 4 HA LEU 4 3.291 -18.421 -11.861 559 HG LEU 4 HG LEU 4 1.797 -21.792 -11.677 560 HB2 LEU 4 1HB LEU 4 3.564 -20.921 -10.240 561 HB3 LEU 4 2HB LEU 4 2.084 -19.955 -10.110 562 HD11 LEU 4 1HD1 LEU 4 0.839 -19.398 -12.017 563 HD12 LEU 4 2HD1 LEU 4 0.690 -20.594 -13.305 564 HD13 LEU 4 3HD1 LEU 4 1.940 -19.353 -13.394 565 HD21 LEU 4 3HD2 LEU 4 3.168 -22.255 -13.440 566 HD22 LEU 4 1HD2 LEU 4 4.352 -21.578 -12.323 567 HD23 LEU 4 2HD2 LEU 4 3.692 -20.580 -13.619 568 H ARG 5 H ARG 5 5.202 -18.980 -8.963 569 HA ARG 5 HA ARG 5 3.604 -17.415 -7.216 570 HE ARG 5 HE ARG 5 7.646 -21.125 -5.022 571 HB2 ARG 5 1HB ARG 5 6.568 -17.947 -6.948 572 HB3 ARG 5 2HB ARG 5 5.412 -17.593 -5.656 573 HG2 ARG 5 1HG ARG 5 4.232 -19.770 -6.446 574 HG3 ARG 5 2HG ARG 5 5.800 -20.120 -7.194 575 HD2 ARG 5 1HD ARG 5 6.423 -19.246 -4.610 576 HD3 ARG 5 2HD ARG 5 5.006 -20.287 -4.421 577 HH11 ARG 5 1HH1 ARG 5 4.307 -21.829 -5.713 578 HH12 ARG 5 2HH1 ARG 5 4.594 -23.505 -6.050 579 HH21 ARG 5 1HH2 ARG 5 8.037 -23.329 -5.462 580 HH22 ARG 5 2HH2 ARG 5 6.716 -24.357 -5.907 581 H GLU 6 H GLU 6 6.378 -16.704 -9.276 582 HA GLU 6 HA GLU 6 7.034 -14.171 -8.370 583 HE2 GLU 6 HE2 GLU 6 10.813 -13.537 -12.577 584 HB2 GLU 6 1HB GLU 6 7.659 -15.798 -10.601 585 HB3 GLU 6 2HB GLU 6 7.180 -14.216 -11.235 586 HG2 GLU 6 1HG GLU 6 8.829 -13.487 -9.197 587 HG3 GLU 6 2HG GLU 6 9.570 -15.001 -9.736 588 H GLU 7 H GLU 7 4.367 -15.202 -10.383 589 HA GLU 7 HA GLU 7 3.567 -12.787 -11.487 590 HE2 GLU 7 HE2 GLU 7 2.196 -12.662 -14.821 591 HB2 GLU 7 1HB GLU 7 1.959 -15.169 -10.558 592 HB3 GLU 7 2HB GLU 7 1.238 -13.797 -11.414 593 HG2 GLU 7 1HG GLU 7 3.387 -15.640 -12.460 594 HG3 GLU 7 2HG GLU 7 1.688 -15.596 -12.955 595 H ALA 8 H ALA 8 2.828 -14.153 -8.306 596 HA ALA 8 HA ALA 8 1.083 -12.051 -7.511 597 HB1 ALA 8 3HB ALA 8 2.177 -14.470 -6.337 598 HB2 ALA 8 1HB ALA 8 2.061 -13.149 -5.175 599 HB3 ALA 8 2HB ALA 8 0.628 -13.678 -6.057 600 H ALA 9 H ALA 9 4.527 -12.485 -7.474 601 HA ALA 9 HA ALA 9 5.274 -10.687 -5.477 602 HB1 ALA 9 3HB ALA 9 6.790 -11.099 -8.043 603 HB2 ALA 9 1HB ALA 9 7.430 -10.676 -6.455 604 HB3 ALA 9 2HB ALA 9 6.763 -12.284 -6.737 605 H LYS 10 H LYS 10 4.713 -10.115 -8.941 606 HA LYS 10 HA LYS 10 5.374 -7.416 -9.029 607 HB2 LYS 10 1HB LYS 10 3.135 -8.703 -10.603 608 HB3 LYS 10 2HB LYS 10 4.112 -7.300 -11.066 609 HG2 LYS 10 1HG LYS 10 6.113 -8.948 -10.927 610 HG3 LYS 10 2HG LYS 10 4.857 -10.192 -11.047 611 HD2 LYS 10 1HD LYS 10 5.370 -9.884 -13.272 612 HD3 LYS 10 2HD LYS 10 4.028 -8.744 -13.067 613 HE2 LYS 10 1HE LYS 10 5.723 -6.942 -12.626 614 HE3 LYS 10 2HE LYS 10 6.975 -8.112 -13.068 615 HZ1 LYS 10 3HZ LYS 10 6.005 -6.500 -14.841 616 HZ2 LYS 10 1HZ LYS 10 4.757 -7.639 -14.933 617 HZ3 LYS 10 2HZ LYS 10 6.351 -8.103 -15.257 618 H LEU 11 H LEU 11 2.378 -8.989 -8.051 619 HA LEU 11 HA LEU 11 0.647 -6.844 -7.971 620 HG LEU 11 HG LEU 11 0.715 -10.152 -8.016 621 HB2 LEU 11 1HB LEU 11 0.822 -9.019 -5.882 622 HB3 LEU 11 2HB LEU 11 -0.599 -8.047 -6.301 623 HD11 LEU 11 1HD1 LEU 11 -1.687 -11.082 -7.785 624 HD12 LEU 11 2HD1 LEU 11 -1.779 -10.036 -6.369 625 HD13 LEU 11 3HD1 LEU 11 -0.550 -11.298 -6.454 626 HD21 LEU 11 3HD2 LEU 11 -1.644 -8.366 -8.601 627 HD22 LEU 11 1HD2 LEU 11 -1.125 -9.732 -9.587 628 HD23 LEU 11 2HD2 LEU 11 -0.075 -8.327 -9.408 629 H PHE 12 H PHE 12 3.038 -7.832 -5.555 630 HA PHE 12 HA PHE 12 2.340 -5.772 -3.700 631 HD1 PHE 12 HD2 PHE 12 1.524 -6.898 -2.272 632 HD2 PHE 12 HD1 PHE 12 4.728 -9.628 -2.902 633 HE1 PHE 12 HE2 PHE 12 0.218 -8.675 -1.182 634 HE2 PHE 12 HE1 PHE 12 3.427 -11.411 -1.814 635 HZ PHE 12 HZ PHE 12 1.169 -10.935 -0.952 636 HB2 PHE 12 1HB PHE 12 4.809 -7.515 -3.907 637 HB3 PHE 12 2HB PHE 12 4.449 -6.444 -2.552 638 H GLU 13 H GLU 13 4.429 -6.003 -6.448 639 HA GLU 13 HA GLU 13 6.302 -4.026 -5.945 640 HE2 GLU 13 HE2 GLU 13 9.659 -6.345 -8.819 641 HB2 GLU 13 1HB GLU 13 5.703 -5.620 -8.070 642 HB3 GLU 13 2HB GLU 13 5.207 -4.034 -8.681 643 HG2 GLU 13 1HG GLU 13 7.343 -3.857 -9.322 644 HG3 GLU 13 2HG GLU 13 7.620 -3.427 -7.628 645 H GLU 14 H GLU 14 2.931 -3.737 -6.825 646 HA GLU 14 HA GLU 14 2.969 -1.001 -7.553 647 HE2 GLU 14 HE2 GLU 14 -1.101 -2.021 -10.619 648 HB2 GLU 14 1HB GLU 14 0.612 -2.456 -6.353 649 HB3 GLU 14 2HB GLU 14 0.595 -1.097 -7.489 650 HG2 GLU 14 1HG GLU 14 1.872 -2.799 -9.042 651 HG3 GLU 14 2HG GLU 14 1.079 -3.984 -7.995 652 H TRP 15 H TRP 15 2.738 -2.671 -4.497 653 HA TRP 15 HA TRP 15 1.812 -0.487 -2.948 654 HD1 TRP 15 HD1 TRP 15 1.446 0.265 -1.118 655 HE1 TRP 15 HE1 TRP 15 0.654 0.275 1.332 656 HE3 TRP 15 HE3 TRP 15 2.652 -4.540 0.145 657 HZ2 TRP 15 HZ2 TRP 15 0.556 -1.516 3.511 658 HZ3 TRP 15 HZ3 TRP 15 2.177 -5.313 2.432 659 HH2 TRP 15 HH2 TRP 15 1.151 -3.831 4.079 660 HB2 TRP 15 1HB TRP 15 1.946 -3.047 -2.394 661 HB3 TRP 15 2HB TRP 15 3.559 -2.641 -1.807 662 H LYS 16 H LYS 16 5.063 -1.776 -3.571 663 HA LYS 16 HA LYS 16 6.353 0.285 -2.043 664 HB2 LYS 16 1HB LYS 16 8.406 -0.723 -2.676 665 HB3 LYS 16 2HB LYS 16 7.258 -2.046 -2.418 666 HG2 LYS 16 1HG LYS 16 6.888 -2.184 -4.853 667 HG3 LYS 16 2HG LYS 16 8.106 -0.917 -5.078 668 HD2 LYS 16 1HD LYS 16 8.866 -3.313 -3.474 669 HD3 LYS 16 2HD LYS 16 8.724 -3.489 -5.233 670 HE2 LYS 16 1HE LYS 16 10.238 -1.468 -5.447 671 HE3 LYS 16 2HE LYS 16 10.517 -1.613 -3.705 672 HZ1 LYS 16 3HZ LYS 16 11.801 -2.987 -5.758 673 HZ2 LYS 16 1HZ LYS 16 10.891 -4.129 -4.902 674 HZ3 LYS 16 2HZ LYS 16 12.023 -3.169 -4.090 675 H LYS 17 H LYS 17 5.463 -0.206 -5.378 676 HA LYS 17 HA LYS 17 7.117 1.873 -6.440 677 HB2 LYS 17 1HB LYS 17 6.244 -0.068 -7.759 678 HB3 LYS 17 2HB LYS 17 4.632 0.659 -7.659 679 HG2 LYS 17 1HG LYS 17 5.394 2.615 -8.880 680 HG3 LYS 17 2HG LYS 17 7.037 1.952 -8.931 681 HD2 LYS 17 1HD LYS 17 5.008 0.098 -9.943 682 HD3 LYS 17 2HD LYS 17 5.116 1.609 -10.863 683 HE2 LYS 17 1HE LYS 17 7.620 0.123 -10.137 684 HE3 LYS 17 2HE LYS 17 6.630 -0.415 -11.502 685 HZ1 LYS 17 3HZ LYS 17 6.780 2.091 -12.158 686 HZ2 LYS 17 1HZ LYS 17 8.047 1.032 -12.528 687 HZ3 LYS 17 2HZ LYS 17 8.170 2.063 -11.193 688 H LEU 18 H LEU 18 3.601 1.620 -5.891 689 HA LEU 18 HA LEU 18 2.913 4.217 -6.574 690 HG LEU 18 HG LEU 18 1.537 1.923 -7.156 691 HB2 LEU 18 1HB LEU 18 1.717 2.302 -4.576 692 HB3 LEU 18 2HB LEU 18 0.991 3.873 -4.956 693 HD11 LEU 18 1HD1 LEU 18 -0.291 0.630 -6.743 694 HD12 LEU 18 2HD1 LEU 18 -1.117 1.889 -5.826 695 HD13 LEU 18 3HD1 LEU 18 0.196 0.975 -5.084 696 HD21 LEU 18 3HD2 LEU 18 -0.620 3.044 -7.956 697 HD22 LEU 18 1HD2 LEU 18 0.855 4.010 -7.957 698 HD23 LEU 18 2HD2 LEU 18 -0.334 4.219 -6.671 699 H ALA 19 H ALA 19 4.182 2.949 -3.550 700 HA ALA 19 HA ALA 19 3.767 5.277 -1.994 701 HB1 ALA 19 3HB ALA 19 5.664 4.225 -0.592 702 HB2 ALA 19 1HB ALA 19 4.134 3.360 -0.742 703 HB3 ALA 19 2HB ALA 19 5.524 2.870 -1.712 704 H GLU 20 H GLU 20 6.197 4.355 -4.296 705 HA GLU 20 HA GLU 20 8.174 6.243 -3.465 706 HE2 GLU 20 HE2 GLU 20 11.259 3.008 -3.472 707 HB2 GLU 20 1HB GLU 20 8.270 4.069 -5.035 708 HB3 GLU 20 2HB GLU 20 8.115 5.314 -6.284 709 HG2 GLU 20 1HG GLU 20 10.392 5.142 -6.112 710 HG3 GLU 20 2HG GLU 20 10.054 6.470 -4.992 711 H GLU 21 H GLU 21 5.812 6.166 -6.126 712 HA GLU 21 HA GLU 21 6.454 8.793 -7.038 713 HE2 GLU 21 HE2 GLU 21 3.877 5.944 -11.402 714 HB2 GLU 21 1HB GLU 21 3.935 7.200 -7.560 715 HB3 GLU 21 2HB GLU 21 4.556 8.554 -8.517 716 HG2 GLU 21 1HG GLU 21 6.346 7.296 -9.368 717 HG3 GLU 21 2HG GLU 21 6.127 6.027 -8.155 718 H ALA 22 H ALA 22 3.689 7.447 -5.243 719 HA ALA 22 HA ALA 22 2.249 9.786 -4.875 720 HB1 ALA 22 3HB ALA 22 2.502 7.445 -2.989 721 HB2 ALA 22 1HB ALA 22 1.243 8.680 -2.925 722 HB3 ALA 22 2HB ALA 22 1.351 7.601 -4.317 723 H ALA 23 H ALA 23 5.115 8.649 -3.236 724 HA ALA 23 HA ALA 23 4.978 10.445 -1.030 725 HB1 ALA 23 3HB ALA 23 6.355 8.689 -0.542 726 HB2 ALA 23 1HB ALA 23 7.039 8.628 -2.167 727 HB3 ALA 23 2HB ALA 23 7.554 9.883 -1.040 728 H LYS 24 H LYS 24 6.974 10.445 -3.987 729 HA LYS 24 HA LYS 24 8.128 12.975 -3.544 730 HB2 LYS 24 1HB LYS 24 8.690 12.901 -5.973 731 HB3 LYS 24 2HB LYS 24 9.160 11.443 -5.084 732 HG2 LYS 24 1HG LYS 24 7.178 10.275 -5.923 733 HG3 LYS 24 2HG LYS 24 6.716 11.732 -6.820 734 HD2 LYS 24 1HD LYS 24 9.460 10.666 -7.262 735 HD3 LYS 24 2HD LYS 24 8.101 9.752 -7.940 736 HE2 LYS 24 1HE LYS 24 7.473 11.460 -9.371 737 HE3 LYS 24 2HE LYS 24 8.225 12.705 -8.363 738 HZ1 LYS 24 3HZ LYS 24 10.400 11.482 -9.027 739 HZ2 LYS 24 1HZ LYS 24 9.685 12.574 -10.104 740 HZ3 LYS 24 2HZ LYS 24 9.475 10.909 -10.322 741 H LEU 25 H LEU 25 5.149 11.971 -5.097 742 HA LEU 25 HA LEU 25 4.578 14.547 -6.224 743 HG LEU 25 HG LEU 25 4.224 12.746 -8.247 744 HB2 LEU 25 1HB LEU 25 3.337 11.895 -6.146 745 HB3 LEU 25 2HB LEU 25 2.173 13.230 -6.086 746 HD11 LEU 25 1HD1 LEU 25 2.143 11.265 -8.088 747 HD12 LEU 25 2HD1 LEU 25 2.464 12.071 -9.624 748 HD13 LEU 25 3HD1 LEU 25 1.239 12.713 -8.530 749 HD21 LEU 25 3HD2 LEU 25 2.176 14.659 -8.881 750 HD22 LEU 25 1HD2 LEU 25 3.931 14.835 -8.939 751 HD23 LEU 25 2HD2 LEU 25 3.060 15.162 -7.439 752 H LEU 26 H LEU 26 3.611 12.777 -3.327 753 HA LEU 26 HA LEU 26 1.577 14.371 -2.379 754 HG LEU 26 HG LEU 26 1.080 12.058 -1.733 755 HB2 LEU 26 1HB LEU 26 3.583 12.572 -1.188 756 HB3 LEU 26 2HB LEU 26 2.893 13.769 -0.079 757 HD11 LEU 26 1HD1 LEU 26 1.764 11.115 0.980 758 HD12 LEU 26 2HD1 LEU 26 2.960 10.822 -0.282 759 HD13 LEU 26 3HD1 LEU 26 1.318 10.205 -0.464 760 HD21 LEU 26 3HD2 LEU 26 -0.520 12.593 -0.150 761 HD22 LEU 26 1HD2 LEU 26 0.424 14.081 -0.245 762 HD23 LEU 26 2HD2 LEU 26 0.679 12.959 1.091 763 H GLU 27 H GLU 27 5.066 14.785 -1.810 764 HA GLU 27 HA GLU 27 4.584 17.388 -0.598 765 HE2 GLU 27 HE2 GLU 27 7.970 16.682 3.254 766 HB2 GLU 27 1HB GLU 27 7.212 15.969 -1.092 767 HB3 GLU 27 2HB GLU 27 6.948 17.381 -0.058 768 HG2 GLU 27 1HG GLU 27 5.187 15.293 0.777 769 HG3 GLU 27 2HG GLU 27 6.831 14.653 0.644 770 H GLY 28 H GLY 28 4.433 16.526 -3.607 771 HA2 GLY 28 1HA GLY 28 6.388 17.919 -5.042 772 HA3 GLY 28 2HA GLY 28 4.767 17.567 -5.624 773 H GLY 29 H GLY 29 3.897 19.147 -3.070 774 HA2 GLY 29 1HA GLY 29 4.397 21.648 -2.728 775 HA3 GLY 29 2HA GLY 29 3.985 21.756 -4.433 776 H GLY 30 H GLY 30 2.491 19.883 -1.803 777 HA2 GLY 30 1HA GLY 30 -0.128 20.766 -2.664 778 HA3 GLY 30 2HA GLY 30 0.219 19.617 -1.381 779 H GLY 31 H GLY 31 1.911 21.170 0.212 780 HA2 GLY 31 1HA GLY 31 1.949 23.181 1.477 781 HA3 GLY 31 2HA GLY 31 0.337 23.554 0.881 782 H GLY 32 H GLY 32 1.941 22.827 3.590 783 HA2 GLY 32 1HA GLY 32 0.031 22.616 5.393 784 HA3 GLY 32 2HA GLY 32 -0.054 21.001 4.705 785 H GLY 33 H GLY 33 1.176 19.476 5.599 786 HA2 GLY 33 1HA GLY 33 3.794 20.021 6.636 787 HA3 GLY 33 2HA GLY 33 2.612 19.780 7.914 788 H GLY 34 H GLY 34 4.533 18.282 5.471 789 HA2 GLY 34 1HA GLY 34 3.264 15.683 5.834 790 HA3 GLY 34 2HA GLY 34 4.578 16.056 4.728 791 H GLY 35 H GLY 35 4.310 16.592 8.232 792 HA2 GLY 35 1HA GLY 35 6.953 15.517 8.631 793 HA3 GLY 35 2HA GLY 35 5.882 16.143 9.874 794 H GLU 36 H GLU 36 4.760 14.748 11.122 795 HA GLU 36 HA GLU 36 5.448 11.971 10.978 796 HE2 GLU 36 HE2 GLU 36 3.962 11.093 16.373 797 HB2 GLU 36 1HB GLU 36 5.253 12.863 13.157 798 HB3 GLU 36 2HB GLU 36 3.676 13.583 12.801 799 HG2 GLU 36 1HG GLU 36 2.658 11.377 12.683 800 HG3 GLU 36 2HG GLU 36 4.235 10.631 12.983 801 H LEU 37 H LEU 37 2.818 13.924 9.886 802 HA LEU 37 HA LEU 37 0.767 12.027 9.755 803 HG LEU 37 HG LEU 37 0.185 13.061 6.609 804 HB2 LEU 37 1HB LEU 37 0.110 14.229 9.398 805 HB3 LEU 37 2HB LEU 37 1.400 14.513 8.216 806 HD11 LEU 37 1HD1 LEU 37 -2.392 13.211 7.851 807 HD12 LEU 37 2HD1 LEU 37 -1.273 12.331 8.893 808 HD13 LEU 37 3HD1 LEU 37 -1.530 11.802 7.231 809 HD21 LEU 37 3HD2 LEU 37 -1.415 15.383 7.681 810 HD22 LEU 37 1HD2 LEU 37 -1.527 14.694 6.061 811 HD23 LEU 37 2HD2 LEU 37 -0.047 15.505 6.574 812 H MET 38 H MET 38 3.445 12.700 7.574 813 HA MET 38 HA MET 38 2.551 11.055 5.444 814 HB2 MET 38 1HB MET 38 4.179 12.737 4.973 815 HB3 MET 38 2HB MET 38 5.281 12.093 6.199 816 HG2 MET 38 1HG MET 38 6.182 10.625 4.787 817 HG3 MET 38 2HG MET 38 4.598 10.109 4.203 818 HE1 MET 38 3HE MET 38 3.236 11.195 2.519 819 HE2 MET 38 1HE MET 38 3.380 12.934 2.780 820 HE3 MET 38 2HE MET 38 3.813 12.237 1.218 821 H LYS 39 H LYS 39 4.308 10.446 8.391 822 HA LYS 39 HA LYS 39 5.524 8.020 7.823 823 HB2 LYS 39 1HB LYS 39 5.821 9.322 9.918 824 HB3 LYS 39 2HB LYS 39 4.207 8.804 10.430 825 HG2 LYS 39 1HG LYS 39 5.433 6.418 9.830 826 HG3 LYS 39 2HG LYS 39 6.745 7.383 10.532 827 HD2 LYS 39 1HD LYS 39 4.696 7.939 12.250 828 HD3 LYS 39 2HD LYS 39 4.342 6.262 11.796 829 HE2 LYS 39 1HE LYS 39 6.952 5.977 12.238 830 HE3 LYS 39 2HE LYS 39 6.665 7.381 13.277 831 HZ1 LYS 39 3HZ LYS 39 5.035 6.173 14.506 832 HZ2 LYS 39 1HZ LYS 39 6.427 5.216 14.421 833 HZ3 LYS 39 2HZ LYS 39 5.098 4.865 13.436 834 H LEU 40 H LEU 40 2.168 8.753 8.391 835 HA LEU 40 HA LEU 40 1.231 6.176 8.996 836 HG LEU 40 HG LEU 40 -0.280 7.666 10.494 837 HB2 LEU 40 1HB LEU 40 0.117 8.755 8.316 838 HB3 LEU 40 2HB LEU 40 -0.779 7.446 7.527 839 HD11 LEU 40 1HD1 LEU 40 -1.918 9.177 10.420 840 HD12 LEU 40 2HD1 LEU 40 -2.984 7.818 10.060 841 HD13 LEU 40 3HD1 LEU 40 -2.321 8.790 8.746 842 HD21 LEU 40 3HD2 LEU 40 -2.225 5.842 9.124 843 HD22 LEU 40 1HD2 LEU 40 -1.590 5.757 10.767 844 HD23 LEU 40 2HD2 LEU 40 -0.551 5.358 9.398 845 H CYS 41 H CYS 41 1.044 7.897 5.873 846 HA CYS 41 HA CYS 41 0.338 5.561 4.420 847 HG CYS 41 HG CYS 41 1.278 9.852 3.833 848 HB2 CYS 41 1HB CYS 41 0.681 6.921 2.423 849 HB3 CYS 41 2HB CYS 41 -0.261 7.803 3.636 850 H GLU 42 H GLU 42 3.361 7.054 5.285 851 HA GLU 42 HA GLU 42 5.068 5.947 3.392 852 HE2 GLU 42 HE2 GLU 42 9.761 7.803 6.358 853 HB2 GLU 42 1HB GLU 42 5.797 7.653 4.966 854 HB3 GLU 42 2HB GLU 42 5.595 6.521 6.312 855 HG2 GLU 42 1HG GLU 42 7.480 5.322 5.789 856 HG3 GLU 42 2HG GLU 42 7.424 5.785 4.083 857 H GLU 43 H GLU 43 3.443 4.471 6.067 858 HA GLU 43 HA GLU 43 5.039 2.260 6.574 859 HE2 GLU 43 HE2 GLU 43 3.034 0.629 10.470 860 HB2 GLU 43 1HB GLU 43 2.014 2.388 6.549 861 HB3 GLU 43 2HB GLU 43 2.990 1.149 7.352 862 HG2 GLU 43 1HG GLU 43 3.797 3.789 8.193 863 HG3 GLU 43 2HG GLU 43 2.063 3.535 8.443 864 H ALA 44 H ALA 44 2.952 2.937 3.873 865 HA ALA 44 HA ALA 44 2.477 0.425 2.833 866 HB1 ALA 44 3HB ALA 44 2.540 1.605 0.580 867 HB2 ALA 44 1HB ALA 44 1.425 2.246 1.786 868 HB3 ALA 44 2HB ALA 44 2.958 3.063 1.478 869 H ALA 45 H ALA 45 5.339 2.479 2.377 870 HA ALA 45 HA ALA 45 6.678 0.579 0.705 871 HB1 ALA 45 3HB ALA 45 8.604 2.304 1.746 872 HB2 ALA 45 1HB ALA 45 7.766 2.449 0.201 873 HB3 ALA 45 2HB ALA 45 7.134 3.271 1.628 874 H LYS 46 H LYS 46 6.374 1.069 4.102 875 HA LYS 46 HA LYS 46 8.768 -0.307 4.864 876 HB2 LYS 46 1HB LYS 46 6.684 1.162 6.159 877 HB3 LYS 46 2HB LYS 46 6.845 -0.411 6.956 878 HG2 LYS 46 1HG LYS 46 8.421 0.632 8.167 879 HG3 LYS 46 2HG LYS 46 9.441 0.296 6.757 880 HD2 LYS 46 1HD LYS 46 8.236 2.627 6.001 881 HD3 LYS 46 2HD LYS 46 8.385 2.848 7.753 882 HE2 LYS 46 1HE LYS 46 10.845 1.798 7.043 883 HE3 LYS 46 2HE LYS 46 10.440 2.863 5.689 884 HZ1 LYS 46 3HZ LYS 46 9.900 4.052 8.243 885 HZ2 LYS 46 1HZ LYS 46 10.767 4.668 6.928 886 HZ3 LYS 46 2HZ LYS 46 11.531 3.651 8.043 887 H LYS 47 H LYS 47 5.317 -1.171 4.828 888 HA LYS 47 HA LYS 47 5.779 -3.872 5.628 889 HB2 LYS 47 1HB LYS 47 3.386 -2.484 4.407 890 HB3 LYS 47 2HB LYS 47 3.379 -4.183 4.906 891 HG2 LYS 47 1HG LYS 47 3.957 -1.862 6.748 892 HG3 LYS 47 2HG LYS 47 2.384 -2.659 6.578 893 HD2 LYS 47 1HD LYS 47 2.984 -4.343 7.917 894 HD3 LYS 47 2HD LYS 47 4.500 -4.583 7.032 895 HE2 LYS 47 1HE LYS 47 4.228 -2.257 8.908 896 HE3 LYS 47 2HE LYS 47 4.549 -3.878 9.545 897 HZ1 LYS 47 3HZ LYS 47 6.613 -2.745 9.195 898 HZ2 LYS 47 1HZ LYS 47 6.215 -2.390 7.589 899 HZ3 LYS 47 2HZ LYS 47 6.495 -3.991 8.057 900 H ALA 48 H ALA 48 5.050 -2.309 2.523 901 HA ALA 48 HA ALA 48 4.857 -4.535 0.901 902 HB1 ALA 48 3HB ALA 48 6.170 -1.932 0.135 903 HB2 ALA 48 1HB ALA 48 5.416 -3.103 -0.948 904 HB3 ALA 48 2HB ALA 48 4.427 -2.197 0.196 905 H GLU 49 H GLU 49 7.790 -2.766 1.846 906 HA GLU 49 HA GLU 49 9.531 -4.518 0.394 907 HE2 GLU 49 HE2 GLU 49 14.347 -2.881 3.003 908 HB2 GLU 49 1HB GLU 49 9.951 -2.068 1.026 909 HB3 GLU 49 2HB GLU 49 10.365 -2.687 2.633 910 HG2 GLU 49 1HG GLU 49 11.740 -4.129 0.518 911 HG3 GLU 49 2HG GLU 49 12.081 -2.393 0.493 912 H GLU 50 H GLU 50 8.247 -4.378 3.629 913 HA GLU 50 HA GLU 50 10.092 -6.073 4.909 914 HE2 GLU 50 HE2 GLU 50 10.727 -6.730 8.734 915 HB2 GLU 50 1HB GLU 50 7.339 -5.102 5.447 916 HB3 GLU 50 2HB GLU 50 7.844 -6.567 6.302 917 HG2 GLU 50 1HG GLU 50 9.799 -4.371 6.355 918 HG3 GLU 50 2HG GLU 50 8.271 -4.046 7.185 919 H LEU 51 H LEU 51 6.932 -6.794 3.433 920 HA LEU 51 HA LEU 51 7.185 -9.611 3.820 921 HG LEU 51 HG LEU 51 5.813 -7.123 1.462 922 HB2 LEU 51 1HB LEU 51 5.157 -9.812 2.568 923 HB3 LEU 51 2HB LEU 51 5.022 -8.412 3.646 924 HD11 LEU 51 1HD1 LEU 51 5.530 -8.155 -0.503 925 HD12 LEU 51 2HD1 LEU 51 4.073 -8.991 0.031 926 HD13 LEU 51 3HD1 LEU 51 5.661 -9.643 0.435 927 HD21 LEU 51 3HD2 LEU 51 3.006 -8.085 2.008 928 HD22 LEU 51 1HD2 LEU 51 3.432 -6.733 0.958 929 HD23 LEU 51 2HD2 LEU 51 3.780 -6.651 2.684 930 H PHE 52 H PHE 52 7.762 -7.401 1.132 931 HA PHE 52 HA PHE 52 8.209 -9.337 -0.859 932 HD1 PHE 52 HD2 PHE 52 8.319 -8.618 -3.475 933 HD2 PHE 52 HD1 PHE 52 11.321 -6.312 -1.528 934 HE1 PHE 52 HE2 PHE 52 9.769 -8.846 -5.450 935 HE2 PHE 52 HE1 PHE 52 12.776 -6.535 -3.501 936 HZ PHE 52 HZ PHE 52 12.001 -7.804 -5.464 937 HB2 PHE 52 1HB PHE 52 7.831 -7.055 -1.498 938 HB3 PHE 52 2HB PHE 52 9.220 -6.506 -0.558 939 H LYS 53 H LYS 53 10.155 -8.235 1.767 940 HA LYS 53 HA LYS 53 12.715 -8.870 0.795 941 HB2 LYS 53 1HB LYS 53 11.992 -7.600 2.943 942 HB3 LYS 53 2HB LYS 53 11.951 -9.211 3.680 943 HG2 LYS 53 1HG LYS 53 14.093 -8.781 4.182 944 HG3 LYS 53 2HG LYS 53 14.382 -9.271 2.503 945 HD2 LYS 53 1HD LYS 53 14.037 -6.826 1.875 946 HD3 LYS 53 2HD LYS 53 14.147 -6.483 3.610 947 HE2 LYS 53 1HE LYS 53 16.315 -8.207 2.839 948 HE3 LYS 53 2HE LYS 53 16.257 -6.798 1.770 949 HZ1 LYS 53 3HZ LYS 53 16.135 -6.532 4.714 950 HZ2 LYS 53 1HZ LYS 53 16.487 -5.337 3.568 951 HZ3 LYS 53 2HZ LYS 53 17.604 -6.570 3.877 952 H LEU 54 H LEU 54 10.641 -10.779 2.986 953 HA LEU 54 HA LEU 54 12.247 -13.127 2.670 954 HG LEU 54 HG LEU 54 10.505 -14.503 5.581 955 HB2 LEU 54 1HB LEU 54 10.468 -12.263 4.546 956 HB3 LEU 54 2HB LEU 54 9.502 -13.456 3.661 957 HD11 LEU 54 1HD1 LEU 54 10.330 -15.769 3.440 958 HD12 LEU 54 2HD1 LEU 54 11.583 -16.358 4.533 959 HD13 LEU 54 3HD1 LEU 54 12.022 -15.381 3.132 960 HD21 LEU 54 3HD2 LEU 54 12.707 -12.832 4.954 961 HD22 LEU 54 1HD2 LEU 54 13.264 -14.505 4.898 962 HD23 LEU 54 2HD2 LEU 54 12.488 -13.882 6.355 963 H ALA 55 H ALA 55 9.210 -11.955 1.327 964 HA ALA 55 HA ALA 55 8.315 -14.279 0.083 965 HB1 ALA 55 3HB ALA 55 7.039 -12.820 -1.391 966 HB2 ALA 55 1HB ALA 55 6.969 -12.247 0.275 967 HB3 ALA 55 2HB ALA 55 8.018 -11.441 -0.892 968 H GLU 56 H GLU 56 10.663 -11.874 -0.998 969 HA GLU 56 HA GLU 56 10.972 -12.697 -3.640 970 HE2 GLU 56 HE2 GLU 56 16.257 -9.882 -4.217 971 HB2 GLU 56 1HB GLU 56 12.064 -10.721 -3.213 972 HB3 GLU 56 2HB GLU 56 12.711 -11.292 -1.667 973 HG2 GLU 56 1HG GLU 56 14.356 -12.652 -2.794 974 HG3 GLU 56 2HG GLU 56 13.667 -12.219 -4.365 975 H GLU 57 H GLU 57 12.013 -14.185 -0.698 976 HA GLU 57 HA GLU 57 14.102 -15.785 -1.741 977 HE2 GLU 57 HE2 GLU 57 12.536 -19.254 2.552 978 HB2 GLU 57 1HB GLU 57 13.725 -15.320 0.681 979 HB3 GLU 57 2HB GLU 57 12.313 -16.386 0.620 980 HG2 GLU 57 1HG GLU 57 14.114 -18.081 -0.368 981 HG3 GLU 57 2HG GLU 57 15.195 -17.054 0.584 982 H ARG 58 H ARG 58 10.706 -16.578 -0.993 983 HA ARG 58 HA ARG 58 10.888 -19.140 -2.275 984 HE ARG 58 HE ARG 58 7.303 -18.749 0.612 985 HB2 ARG 58 1HB ARG 58 8.592 -19.429 -1.698 986 HB3 ARG 58 2HB ARG 58 9.377 -18.617 -0.336 987 HG2 ARG 58 1HG ARG 58 8.388 -16.604 -2.079 988 HG3 ARG 58 2HG ARG 58 7.102 -17.795 -1.816 989 HD2 ARG 58 1HD ARG 58 8.646 -16.266 0.287 990 HD3 ARG 58 2HD ARG 58 6.930 -16.116 -0.116 991 HH11 ARG 58 1HH1 ARG 58 7.707 -15.623 2.087 992 HH12 ARG 58 2HH1 ARG 58 7.390 -16.194 3.692 993 HH21 ARG 58 1HH2 ARG 58 6.884 -19.514 2.719 994 HH22 ARG 58 2HH2 ARG 58 6.924 -18.408 4.051 995 H LEU 59 H LEU 59 10.254 -15.946 -3.301 996 HA LEU 59 HA LEU 59 8.694 -16.679 -5.617 997 HG LEU 59 HG LEU 59 7.777 -14.869 -3.592 998 HB2 LEU 59 1HB LEU 59 9.939 -14.097 -4.683 999 HB3 LEU 59 2HB LEU 59 9.090 -14.253 -6.230 1000 HD11 LEU 59 1HD1 LEU 59 8.203 -12.264 -4.975 1001 HD12 LEU 59 2HD1 LEU 59 8.215 -12.642 -3.253 1002 HD13 LEU 59 3HD1 LEU 59 6.685 -12.554 -4.125 1003 HD21 LEU 59 3HD2 LEU 59 6.799 -14.399 -6.397 1004 HD22 LEU 59 1HD2 LEU 59 5.738 -14.345 -4.990 1005 HD23 LEU 59 2HD2 LEU 59 6.592 -15.835 -5.393 1006 H LYS 60 H LYS 60 11.963 -15.390 -5.049 1007 HA LYS 60 HA LYS 60 12.705 -16.297 -7.751 1008 HB2 LYS 60 1HB LYS 60 14.530 -14.504 -6.252 1009 HB3 LYS 60 2HB LYS 60 14.098 -14.509 -7.969 1010 HG2 LYS 60 1HG LYS 60 12.352 -13.477 -5.731 1011 HG3 LYS 60 2HG LYS 60 13.329 -12.485 -6.829 1012 HD2 LYS 60 1HD LYS 60 11.612 -14.355 -8.262 1013 HD3 LYS 60 2HD LYS 60 10.699 -13.254 -7.217 1014 HE2 LYS 60 1HE LYS 60 12.750 -12.420 -9.283 1015 HE3 LYS 60 2HE LYS 60 10.992 -12.342 -9.477 1016 HZ1 LYS 60 3HZ LYS 60 11.272 -10.263 -8.726 1017 HZ2 LYS 60 1HZ LYS 60 12.760 -10.596 -7.993 1018 HZ3 LYS 60 2HZ LYS 60 11.319 -10.987 -7.198 1019 H LYS 61 H LYS 61 14.379 -15.748 -4.646 1020 HA LYS 61 HA LYS 61 15.098 -18.406 -4.187 1021 HB2 LYS 61 1HB LYS 61 16.624 -17.163 -6.257 1022 HB3 LYS 61 2HB LYS 61 17.678 -17.408 -4.855 1023 HG2 LYS 61 1HG LYS 61 17.534 -19.696 -4.953 1024 HG3 LYS 61 2HG LYS 61 15.957 -19.662 -5.761 1025 HD2 LYS 61 1HD LYS 61 16.913 -19.096 -7.851 1026 HD3 LYS 61 2HD LYS 61 18.469 -18.695 -7.105 1027 HE2 LYS 61 1HE LYS 61 17.243 -21.463 -7.187 1028 HE3 LYS 61 2HE LYS 61 18.503 -20.868 -8.278 1029 HZ1 LYS 61 3HZ LYS 61 18.696 -21.407 -5.381 1030 HZ2 LYS 61 1HZ LYS 61 19.813 -20.403 -6.160 1031 HZ3 LYS 61 2HZ LYS 61 19.652 -22.018 -6.635 1032 H LEU 62 H LEU 62 17.056 -15.427 -4.120 1033 HA LEU 62 HA LEU 62 18.063 -14.319 -2.405 1034 HG LEU 62 HG LEU 62 15.691 -12.671 -0.158 1035 HB2 LEU 62 1HB LEU 62 15.404 -14.288 -1.947 1036 HB3 LEU 62 2HB LEU 62 15.972 -15.078 -0.467 1037 HD11 LEU 62 1HD1 LEU 62 18.626 -13.314 -0.142 1038 HD12 LEU 62 2HD1 LEU 62 17.489 -14.012 1.010 1039 HD13 LEU 62 3HD1 LEU 62 17.729 -12.265 0.955 1040 HD21 LEU 62 3HD2 LEU 62 18.009 -11.852 -1.700 1041 HD22 LEU 62 1HD2 LEU 62 16.400 -11.137 -1.609 1042 HD23 LEU 62 2HD2 LEU 62 16.710 -12.472 -2.719 1043 HC1 HLT 101 HC1 HLT 101 0.106 -1.384 -2.429 Start of MODEL 11 1 HA MET 1 HA MET 1 -14.370 24.582 4.612 2 H1 MET 1 1H MET 1 -15.804 22.642 5.187 3 HB2 MET 1 1HB MET 1 -12.539 23.348 6.682 4 HB3 MET 1 2HB MET 1 -12.265 24.839 5.768 5 HG2 MET 1 1HG MET 1 -14.661 25.363 6.979 6 HG3 MET 1 2HG MET 1 -13.833 24.381 8.189 7 HE1 MET 1 3HE MET 1 -14.177 26.160 9.692 8 HE2 MET 1 1HE MET 1 -12.947 27.382 10.016 9 HE3 MET 1 2HE MET 1 -14.326 27.771 8.989 10 H LYS 2 H LYS 2 -14.829 22.840 2.935 11 HA LYS 2 HA LYS 2 -12.324 21.404 2.345 12 HB2 LYS 2 1HB LYS 2 -13.524 19.589 1.404 13 HB3 LYS 2 2HB LYS 2 -14.287 19.932 2.964 14 HG2 LYS 2 1HG LYS 2 -15.967 21.343 1.656 15 HG3 LYS 2 2HG LYS 2 -15.314 20.543 0.214 16 HD2 LYS 2 1HD LYS 2 -15.731 18.355 1.632 17 HD3 LYS 2 2HD LYS 2 -16.897 19.397 2.465 18 HE2 LYS 2 1HE LYS 2 -18.342 18.850 0.844 19 HE3 LYS 2 2HE LYS 2 -17.391 19.924 -0.191 20 HZ1 LYS 2 3HZ LYS 2 -16.003 17.589 -0.258 21 HZ2 LYS 2 1HZ LYS 2 -17.075 18.134 -1.450 22 HZ3 LYS 2 2HZ LYS 2 -17.613 17.068 -0.252 23 H LYS 3 H LYS 3 -11.547 21.502 0.269 24 HA LYS 3 HA LYS 3 -13.115 22.901 -1.758 25 HB2 LYS 3 1HB LYS 3 -10.862 24.038 -0.321 26 HB3 LYS 3 2HB LYS 3 -10.550 23.963 -2.063 27 HG2 LYS 3 1HG LYS 3 -13.187 25.022 -1.202 28 HG3 LYS 3 2HG LYS 3 -11.757 26.030 -0.914 29 HD2 LYS 3 1HD LYS 3 -11.149 25.877 -3.283 30 HD3 LYS 3 2HD LYS 3 -12.568 24.855 -3.575 31 HE2 LYS 3 1HE LYS 3 -13.250 27.345 -2.212 32 HE3 LYS 3 2HE LYS 3 -12.467 27.609 -3.776 33 HZ1 LYS 3 3HZ LYS 3 -14.357 27.101 -4.778 34 HZ2 LYS 3 1HZ LYS 3 -15.111 26.860 -3.283 35 HZ3 LYS 3 2HZ LYS 3 -14.361 25.564 -4.071 36 H LEU 4 H LEU 4 -9.704 21.934 -1.402 37 HA LEU 4 HA LEU 4 -10.092 19.972 -3.549 38 HG LEU 4 HG LEU 4 -6.606 21.058 -3.112 39 HB2 LEU 4 1HB LEU 4 -8.326 20.733 -4.840 40 HB3 LEU 4 2HB LEU 4 -9.116 22.228 -4.312 41 HD11 LEU 4 1HD1 LEU 4 -5.804 23.372 -4.116 42 HD12 LEU 4 2HD1 LEU 4 -7.119 23.055 -5.247 43 HD13 LEU 4 3HD1 LEU 4 -5.806 21.891 -5.074 44 HD21 LEU 4 3HD2 LEU 4 -8.157 23.574 -2.532 45 HD22 LEU 4 1HD2 LEU 4 -6.494 23.308 -2.010 46 HD23 LEU 4 2HD2 LEU 4 -7.780 22.254 -1.424 47 H ARG 5 H ARG 5 -9.362 20.319 -0.479 48 HA ARG 5 HA ARG 5 -6.860 18.976 -0.220 49 HE ARG 5 HE ARG 5 -10.000 22.975 1.384 50 HB2 ARG 5 1HB ARG 5 -9.085 19.188 1.821 51 HB3 ARG 5 2HB ARG 5 -7.378 18.840 2.138 52 HG2 ARG 5 1HG ARG 5 -6.839 20.998 2.197 53 HG3 ARG 5 2HG ARG 5 -7.718 21.327 0.695 54 HD2 ARG 5 1HD ARG 5 -9.787 20.942 2.423 55 HD3 ARG 5 2HD ARG 5 -8.568 21.652 3.491 56 HH11 ARG 5 1HH1 ARG 5 -7.096 22.980 3.303 57 HH12 ARG 5 2HH1 ARG 5 -6.799 24.673 3.087 58 HH21 ARG 5 1HH2 ARG 5 -9.622 25.206 1.092 59 HH22 ARG 5 2HH2 ARG 5 -8.238 25.938 1.829 60 H GLU 6 H GLU 6 -10.212 17.956 -0.376 61 HA GLU 6 HA GLU 6 -10.002 15.355 0.571 62 HE2 GLU 6 HE2 GLU 6 -14.708 15.933 -3.784 63 HB2 GLU 6 1HB GLU 6 -12.053 14.911 -0.468 64 HB3 GLU 6 2HB GLU 6 -12.092 16.653 -0.148 65 HG2 GLU 6 1HG GLU 6 -11.445 17.098 -2.473 66 HG3 GLU 6 2HG GLU 6 -11.449 15.356 -2.788 67 H GLU 7 H GLU 7 -8.884 16.737 -2.402 68 HA GLU 7 HA GLU 7 -8.731 14.533 -4.068 69 HE2 GLU 7 HE2 GLU 7 -4.094 14.850 -5.434 70 HB2 GLU 7 1HB GLU 7 -7.171 15.719 -5.345 71 HB3 GLU 7 2HB GLU 7 -8.113 16.983 -4.538 72 HG2 GLU 7 1HG GLU 7 -6.014 17.793 -4.195 73 HG3 GLU 7 2HG GLU 7 -6.206 16.805 -2.740 74 H ALA 8 H ALA 8 -6.749 15.388 -1.322 75 HA ALA 8 HA ALA 8 -4.651 13.529 -1.851 76 HB1 ALA 8 3HB ALA 8 -4.458 13.938 0.809 77 HB2 ALA 8 1HB ALA 8 -3.820 15.045 -0.408 78 HB3 ALA 8 2HB ALA 8 -5.390 15.358 0.333 79 H ALA 9 H ALA 9 -7.751 13.352 -0.280 80 HA ALA 9 HA ALA 9 -7.272 10.942 1.163 81 HB1 ALA 9 3HB ALA 9 -9.328 12.832 1.012 82 HB2 ALA 9 1HB ALA 9 -10.046 11.304 0.502 83 HB3 ALA 9 2HB ALA 9 -9.243 11.422 2.068 84 H LYS 10 H LYS 10 -8.686 11.691 -1.992 85 HA LYS 10 HA LYS 10 -9.608 9.143 -2.659 86 HB2 LYS 10 1HB LYS 10 -8.419 11.127 -4.605 87 HB3 LYS 10 2HB LYS 10 -9.646 9.894 -4.934 88 HG2 LYS 10 1HG LYS 10 -10.638 11.547 -2.851 89 HG3 LYS 10 2HG LYS 10 -10.012 12.594 -4.138 90 HD2 LYS 10 1HD LYS 10 -11.922 10.291 -4.591 91 HD3 LYS 10 2HD LYS 10 -12.411 11.985 -4.413 92 HE2 LYS 10 1HE LYS 10 -12.088 12.278 -6.598 93 HE3 LYS 10 2HE LYS 10 -10.365 11.962 -6.340 94 HZ1 LYS 10 3HZ LYS 10 -12.062 9.610 -6.497 95 HZ2 LYS 10 1HZ LYS 10 -10.527 9.887 -7.155 96 HZ3 LYS 10 2HZ LYS 10 -11.902 10.493 -7.933 97 H LEU 11 H LEU 11 -6.398 10.554 -2.880 98 HA LEU 11 HA LEU 11 -5.116 8.743 -4.521 99 HG LEU 11 HG LEU 11 -4.798 11.816 -3.295 100 HB2 LEU 11 1HB LEU 11 -3.969 9.966 -2.005 101 HB3 LEU 11 2HB LEU 11 -3.064 9.353 -3.400 102 HD11 LEU 11 1HD1 LEU 11 -2.784 12.470 -2.421 103 HD12 LEU 11 2HD1 LEU 11 -2.489 12.723 -4.141 104 HD13 LEU 11 3HD1 LEU 11 -1.869 11.277 -3.345 105 HD21 LEU 11 3HD2 LEU 11 -5.101 10.653 -5.429 106 HD22 LEU 11 1HD2 LEU 11 -3.352 10.616 -5.656 107 HD23 LEU 11 2HD2 LEU 11 -4.205 12.160 -5.632 108 H PHE 12 H PHE 12 -5.744 8.494 -1.041 109 HA PHE 12 HA PHE 12 -4.437 5.967 -0.769 110 HD1 PHE 12 HD2 PHE 12 -2.860 6.468 0.346 111 HD2 PHE 12 HD1 PHE 12 -5.515 8.991 2.517 112 HE1 PHE 12 HE2 PHE 12 -0.944 7.784 1.154 113 HE2 PHE 12 HE1 PHE 12 -3.603 10.311 3.327 114 HZ PHE 12 HZ PHE 12 -1.314 9.707 2.646 115 HB2 PHE 12 1HB PHE 12 -6.396 7.416 1.032 116 HB3 PHE 12 2HB PHE 12 -5.544 5.935 1.476 117 H GLU 13 H GLU 13 -7.563 6.989 -1.771 118 HA GLU 13 HA GLU 13 -9.090 4.731 -1.105 119 HE2 GLU 13 HE2 GLU 13 -13.236 7.428 -3.970 120 HB2 GLU 13 1HB GLU 13 -9.580 7.137 -2.329 121 HB3 GLU 13 2HB GLU 13 -9.773 5.992 -3.665 122 HG2 GLU 13 1HG GLU 13 -11.466 4.776 -2.490 123 HG3 GLU 13 2HG GLU 13 -11.185 5.728 -1.024 124 H GLU 14 H GLU 14 -7.095 5.456 -3.931 125 HA GLU 14 HA GLU 14 -7.785 3.038 -5.304 126 HE2 GLU 14 HE2 GLU 14 -6.977 5.206 -9.772 127 HB2 GLU 14 1HB GLU 14 -5.342 4.734 -5.817 128 HB3 GLU 14 2HB GLU 14 -6.220 3.704 -6.958 129 HG2 GLU 14 1HG GLU 14 -8.208 5.356 -6.366 130 HG3 GLU 14 2HG GLU 14 -6.855 6.434 -5.993 131 H TRP 15 H TRP 15 -5.309 4.022 -3.054 132 HA TRP 15 HA TRP 15 -3.382 2.076 -3.457 133 HD1 TRP 15 HD1 TRP 15 -2.993 4.404 -4.040 134 HE1 TRP 15 HE1 TRP 15 -0.975 5.999 -3.969 135 HE3 TRP 15 HE3 TRP 15 -1.577 3.702 0.821 136 HZ2 TRP 15 HZ2 TRP 15 0.962 6.847 -2.098 137 HZ3 TRP 15 HZ3 TRP 15 0.369 4.943 1.673 138 HH2 TRP 15 HH2 TRP 15 1.611 6.483 0.242 139 HB2 TRP 15 1HB TRP 15 -4.312 3.557 -1.007 140 HB3 TRP 15 2HB TRP 15 -3.056 2.325 -0.884 141 H LYS 16 H LYS 16 -6.110 1.935 -1.160 142 HA LYS 16 HA LYS 16 -5.670 -0.782 -0.471 143 HB2 LYS 16 1HB LYS 16 -7.918 -0.654 0.568 144 HB3 LYS 16 2HB LYS 16 -6.856 0.682 1.045 145 HG2 LYS 16 1HG LYS 16 -7.969 2.126 -0.634 146 HG3 LYS 16 2HG LYS 16 -9.088 0.794 -0.973 147 HD2 LYS 16 1HD LYS 16 -8.836 1.450 1.881 148 HD3 LYS 16 2HD LYS 16 -9.504 2.753 0.883 149 HE2 LYS 16 1HE LYS 16 -10.978 0.800 -0.114 150 HE3 LYS 16 2HE LYS 16 -10.595 0.034 1.435 151 HZ1 LYS 16 3HZ LYS 16 -12.221 1.225 2.323 152 HZ2 LYS 16 1HZ LYS 16 -12.461 2.088 0.888 153 HZ3 LYS 16 2HZ LYS 16 -11.334 2.634 2.024 154 H LYS 17 H LYS 17 -7.826 0.825 -2.766 155 HA LYS 17 HA LYS 17 -9.378 -1.339 -3.545 156 HB2 LYS 17 1HB LYS 17 -8.892 1.312 -4.448 157 HB3 LYS 17 2HB LYS 17 -8.774 0.240 -5.852 158 HG2 LYS 17 1HG LYS 17 -10.974 -0.387 -5.755 159 HG3 LYS 17 2HG LYS 17 -11.087 -0.084 -4.012 160 HD2 LYS 17 1HD LYS 17 -10.480 2.349 -5.479 161 HD3 LYS 17 2HD LYS 17 -11.974 1.585 -6.051 162 HE2 LYS 17 1HE LYS 17 -11.428 2.017 -3.116 163 HE3 LYS 17 2HE LYS 17 -12.166 3.263 -4.132 164 HZ1 LYS 17 3HZ LYS 17 -13.238 0.547 -3.604 165 HZ2 LYS 17 1HZ LYS 17 -13.906 1.629 -4.720 166 HZ3 LYS 17 2HZ LYS 17 -13.886 2.017 -3.073 167 H LEU 18 H LEU 18 -6.330 -0.197 -4.998 168 HA LEU 18 HA LEU 18 -6.101 -2.215 -6.924 169 HG LEU 18 HG LEU 18 -5.734 0.526 -7.074 170 HB2 LEU 18 1HB LEU 18 -3.929 -0.666 -5.500 171 HB3 LEU 18 2HB LEU 18 -3.704 -1.633 -6.968 172 HD11 LEU 18 1HD1 LEU 18 -3.097 1.046 -6.163 173 HD12 LEU 18 2HD1 LEU 18 -4.373 2.195 -6.562 174 HD13 LEU 18 3HD1 LEU 18 -3.245 1.663 -7.808 175 HD21 LEU 18 3HD2 LEU 18 -4.996 -1.129 -8.921 176 HD22 LEU 18 1HD2 LEU 18 -3.583 -0.084 -9.064 177 HD23 LEU 18 2HD2 LEU 18 -5.197 0.575 -9.328 178 H ALA 19 H ALA 19 -5.165 -2.119 -3.542 179 HA ALA 19 HA ALA 19 -3.655 -4.542 -3.596 180 HB1 ALA 19 3HB ALA 19 -2.997 -3.720 -1.645 181 HB2 ALA 19 1HB ALA 19 -4.277 -2.507 -1.689 182 HB3 ALA 19 2HB ALA 19 -4.588 -4.091 -0.978 183 H GLU 20 H GLU 20 -7.017 -3.730 -3.123 184 HA GLU 20 HA GLU 20 -7.921 -6.050 -1.865 185 HE2 GLU 20 HE2 GLU 20 -12.452 -4.297 -0.629 186 HB2 GLU 20 1HB GLU 20 -9.325 -4.277 -3.878 187 HB3 GLU 20 2HB GLU 20 -10.126 -5.506 -2.885 188 HG2 GLU 20 1HG GLU 20 -8.558 -3.734 -1.236 189 HG3 GLU 20 2HG GLU 20 -9.697 -2.830 -2.244 190 H GLU 21 H GLU 21 -7.693 -5.313 -5.339 191 HA GLU 21 HA GLU 21 -8.554 -7.921 -6.135 192 HE2 GLU 21 HE2 GLU 21 -10.759 -6.596 -10.292 193 HB2 GLU 21 1HB GLU 21 -7.083 -5.841 -7.769 194 HB3 GLU 21 2HB GLU 21 -8.017 -7.210 -8.391 195 HG2 GLU 21 1HG GLU 21 -9.603 -5.541 -6.625 196 HG3 GLU 21 2HG GLU 21 -8.929 -4.631 -7.985 197 H ALA 22 H ALA 22 -5.410 -6.263 -6.089 198 HA ALA 22 HA ALA 22 -3.854 -8.321 -7.135 199 HB1 ALA 22 3HB ALA 22 -2.775 -6.275 -6.976 200 HB2 ALA 22 1HB ALA 22 -3.256 -6.038 -5.295 201 HB3 ALA 22 2HB ALA 22 -2.009 -7.219 -5.698 202 H ALA 23 H ALA 23 -5.158 -7.872 -3.928 203 HA ALA 23 HA ALA 23 -3.516 -9.793 -2.618 204 HB1 ALA 23 3HB ALA 23 -4.459 -8.344 -1.113 205 HB2 ALA 23 1HB ALA 23 -6.020 -8.331 -1.935 206 HB3 ALA 23 2HB ALA 23 -5.547 -9.724 -0.961 207 H LYS 24 H LYS 24 -6.907 -9.916 -3.720 208 HA LYS 24 HA LYS 24 -7.306 -12.636 -3.134 209 HB2 LYS 24 1HB LYS 24 -9.242 -12.476 -4.681 210 HB3 LYS 24 2HB LYS 24 -9.189 -11.166 -3.490 211 HG2 LYS 24 1HG LYS 24 -8.278 -9.643 -5.159 212 HG3 LYS 24 2HG LYS 24 -8.281 -10.952 -6.355 213 HD2 LYS 24 1HD LYS 24 -10.836 -10.317 -4.948 214 HD3 LYS 24 2HD LYS 24 -10.264 -9.210 -6.209 215 HE2 LYS 24 1HE LYS 24 -10.555 -10.733 -7.893 216 HE3 LYS 24 2HE LYS 24 -10.246 -12.112 -6.828 217 HZ1 LYS 24 3HZ LYS 24 -12.631 -11.655 -7.688 218 HZ2 LYS 24 1HZ LYS 24 -12.683 -10.513 -6.440 219 HZ3 LYS 24 2HZ LYS 24 -12.403 -12.144 -6.085 220 H LEU 25 H LEU 25 -6.041 -11.002 -5.976 221 HA LEU 25 HA LEU 25 -6.009 -13.360 -7.608 222 HG LEU 25 HG LEU 25 -7.228 -11.311 -9.008 223 HB2 LEU 25 1HB LEU 25 -5.219 -10.534 -7.865 224 HB3 LEU 25 2HB LEU 25 -4.240 -11.679 -8.799 225 HD11 LEU 25 1HD1 LEU 25 -5.184 -10.770 -11.132 226 HD12 LEU 25 2HD1 LEU 25 -5.643 -9.537 -9.958 227 HD13 LEU 25 3HD1 LEU 25 -6.858 -10.223 -11.036 228 HD21 LEU 25 3HD2 LEU 25 -5.710 -13.582 -9.569 229 HD22 LEU 25 1HD2 LEU 25 -5.972 -12.802 -11.130 230 HD23 LEU 25 2HD2 LEU 25 -7.350 -13.233 -10.116 231 H LEU 26 H LEU 26 -3.704 -11.654 -5.571 232 HA LEU 26 HA LEU 26 -1.326 -12.816 -6.315 233 HG LEU 26 HG LEU 26 -0.728 -10.603 -5.640 234 HB2 LEU 26 1HB LEU 26 -2.416 -11.601 -3.875 235 HB3 LEU 26 2HB LEU 26 -1.088 -12.741 -3.592 236 HD11 LEU 26 1HD1 LEU 26 -0.243 -8.933 -4.114 237 HD12 LEU 26 2HD1 LEU 26 -0.108 -10.060 -2.766 238 HD13 LEU 26 3HD1 LEU 26 -1.693 -9.667 -3.432 239 HD21 LEU 26 3HD2 LEU 26 1.596 -10.734 -4.553 240 HD22 LEU 26 1HD2 LEU 26 1.067 -12.086 -5.553 241 HD23 LEU 26 2HD2 LEU 26 1.003 -12.212 -3.796 242 H GLU 27 H GLU 27 -3.551 -14.034 -3.805 243 HA GLU 27 HA GLU 27 -2.124 -16.540 -3.648 244 HE2 GLU 27 HE2 GLU 27 -7.665 -16.810 -1.035 245 HB2 GLU 27 1HB GLU 27 -3.940 -17.159 -2.036 246 HB3 GLU 27 2HB GLU 27 -3.035 -15.700 -1.602 247 HG2 GLU 27 1HG GLU 27 -4.810 -14.327 -1.876 248 HG3 GLU 27 2HG GLU 27 -5.490 -15.299 -3.190 249 H GLY 28 H GLY 28 -4.418 -15.279 -5.711 250 HA2 GLY 28 1HA GLY 28 -5.825 -16.194 -7.277 251 HA3 GLY 28 2HA GLY 28 -4.765 -17.593 -7.205 252 H GLY 29 H GLY 29 -6.439 -16.572 -4.344 253 HA2 GLY 29 1HA GLY 29 -8.499 -17.340 -3.478 254 HA3 GLY 29 2HA GLY 29 -8.574 -18.526 -4.773 255 H GLY 30 H GLY 30 -5.526 -18.381 -3.300 256 HA2 GLY 30 1HA GLY 30 -6.218 -20.523 -1.402 257 HA3 GLY 30 2HA GLY 30 -4.954 -20.793 -2.593 258 H GLY 31 H GLY 31 -2.953 -20.466 -1.900 259 HA2 GLY 31 1HA GLY 31 -1.168 -19.457 -0.832 260 HA3 GLY 31 2HA GLY 31 -2.262 -18.196 -0.282 261 H GLY 32 H GLY 32 -0.313 -20.665 0.720 262 HA2 GLY 32 1HA GLY 32 -0.067 -21.814 2.696 263 HA3 GLY 32 2HA GLY 32 -0.859 -20.421 3.419 264 H GLY 33 H GLY 33 -2.052 -22.952 1.213 265 HA2 GLY 33 1HA GLY 33 -3.637 -24.602 1.584 266 HA3 GLY 33 2HA GLY 33 -3.668 -24.143 3.280 267 H GLY 34 H GLY 34 -4.539 -21.684 3.438 268 HA2 GLY 34 1HA GLY 34 -7.052 -21.641 1.880 269 HA3 GLY 34 2HA GLY 34 -6.997 -21.262 3.596 270 H GLY 35 H GLY 35 -4.969 -19.566 3.907 271 HA2 GLY 35 1HA GLY 35 -4.452 -17.608 2.039 272 HA3 GLY 35 2HA GLY 35 -5.987 -17.155 2.764 273 H GLU 36 H GLU 36 -3.367 -18.781 4.455 274 HA GLU 36 HA GLU 36 -3.378 -16.773 6.502 275 HE2 GLU 36 HE2 GLU 36 -1.133 -20.530 9.952 276 HB2 GLU 36 1HB GLU 36 -3.042 -19.014 7.218 277 HB3 GLU 36 2HB GLU 36 -1.728 -19.256 6.056 278 HG2 GLU 36 1HG GLU 36 -0.317 -17.694 7.282 279 HG3 GLU 36 2HG GLU 36 -1.633 -17.407 8.429 280 H LEU 37 H LEU 37 -1.453 -17.481 3.698 281 HA LEU 37 HA LEU 37 0.778 -15.846 4.464 282 HG LEU 37 HG LEU 37 -0.275 -18.674 2.675 283 HB2 LEU 37 1HB LEU 37 0.181 -16.548 1.618 284 HB3 LEU 37 2HB LEU 37 1.740 -16.440 2.454 285 HD11 LEU 37 1HD1 LEU 37 2.553 -18.753 1.654 286 HD12 LEU 37 2HD1 LEU 37 1.152 -18.527 0.607 287 HD13 LEU 37 3HD1 LEU 37 1.321 -20.011 1.547 288 HD21 LEU 37 3HD2 LEU 37 0.613 -19.157 4.650 289 HD22 LEU 37 1HD2 LEU 37 1.741 -17.808 4.519 290 HD23 LEU 37 2HD2 LEU 37 2.172 -19.385 3.856 291 H MET 38 H MET 38 -1.686 -15.515 1.900 292 HA MET 38 HA MET 38 -1.075 -12.915 1.146 293 HB2 MET 38 1HB MET 38 -2.567 -14.362 -0.139 294 HB3 MET 38 2HB MET 38 -3.775 -14.275 1.152 295 HG2 MET 38 1HG MET 38 -3.115 -11.612 0.422 296 HG3 MET 38 2HG MET 38 -3.403 -12.532 -1.057 297 HE1 MET 38 3HE MET 38 -5.131 -13.453 2.381 298 HE2 MET 38 1HE MET 38 -4.813 -11.722 2.489 299 HE3 MET 38 2HE MET 38 -6.473 -12.308 2.380 300 H LYS 39 H LYS 39 -2.785 -14.083 3.928 301 HA LYS 39 HA LYS 39 -4.263 -11.835 4.646 302 HB2 LYS 39 1HB LYS 39 -4.442 -14.041 5.744 303 HB3 LYS 39 2HB LYS 39 -2.858 -13.778 6.490 304 HG2 LYS 39 1HG LYS 39 -4.242 -11.516 7.218 305 HG3 LYS 39 2HG LYS 39 -5.478 -12.784 7.275 306 HD2 LYS 39 1HD LYS 39 -2.847 -13.448 8.476 307 HD3 LYS 39 2HD LYS 39 -3.835 -12.248 9.327 308 HE2 LYS 39 1HE LYS 39 -5.480 -13.751 9.854 309 HE3 LYS 39 2HE LYS 39 -5.183 -14.727 8.409 310 HZ1 LYS 39 3HZ LYS 39 -3.766 -16.031 9.500 311 HZ2 LYS 39 1HZ LYS 39 -4.382 -15.351 10.923 312 HZ3 LYS 39 2HZ LYS 39 -2.968 -14.732 10.232 313 H LEU 40 H LEU 40 -0.848 -12.453 4.851 314 HA LEU 40 HA LEU 40 -0.258 -10.354 6.701 315 HG LEU 40 HG LEU 40 1.089 -12.302 7.690 316 HB2 LEU 40 1HB LEU 40 1.200 -12.372 5.189 317 HB3 LEU 40 2HB LEU 40 2.050 -10.817 5.246 318 HD11 LEU 40 1HD1 LEU 40 3.952 -12.123 6.858 319 HD12 LEU 40 2HD1 LEU 40 2.919 -13.388 6.192 320 HD13 LEU 40 3HD1 LEU 40 3.163 -13.276 7.935 321 HD21 LEU 40 3HD2 LEU 40 3.005 -9.994 7.362 322 HD22 LEU 40 1HD2 LEU 40 2.569 -10.780 8.879 323 HD23 LEU 40 2HD2 LEU 40 1.353 -9.883 7.971 324 H CYS 41 H CYS 41 -0.126 -10.686 3.176 325 HA CYS 41 HA CYS 41 0.863 -8.033 2.758 326 HG CYS 41 HG CYS 41 1.319 -11.560 1.733 327 HB2 CYS 41 1HB CYS 41 -0.539 -9.782 0.739 328 HB3 CYS 41 2HB CYS 41 0.621 -8.483 0.421 329 H GLU 42 H GLU 42 -2.272 -9.499 3.054 330 HA GLU 42 HA GLU 42 -3.880 -7.638 1.764 331 HE2 GLU 42 HE2 GLU 42 -8.974 -9.639 3.924 332 HB2 GLU 42 1HB GLU 42 -4.790 -9.715 2.590 333 HB3 GLU 42 2HB GLU 42 -4.423 -9.253 4.259 334 HG2 GLU 42 1HG GLU 42 -6.048 -7.458 4.169 335 HG3 GLU 42 2HG GLU 42 -6.377 -7.826 2.470 336 H GLU 43 H GLU 43 -2.131 -7.384 4.739 337 HA GLU 43 HA GLU 43 -3.535 -5.404 6.080 338 HE2 GLU 43 HE2 GLU 43 -1.588 -7.299 10.474 339 HB2 GLU 43 1HB GLU 43 -0.523 -5.655 5.904 340 HB3 GLU 43 2HB GLU 43 -1.442 -4.851 7.184 341 HG2 GLU 43 1HG GLU 43 -2.265 -7.615 6.804 342 HG3 GLU 43 2HG GLU 43 -0.548 -7.455 7.203 343 H ALA 44 H ALA 44 -1.546 -5.188 3.237 344 HA ALA 44 HA ALA 44 -0.867 -2.513 3.174 345 HB1 ALA 44 3HB ALA 44 -1.483 -4.510 1.041 346 HB2 ALA 44 1HB ALA 44 -1.200 -2.824 0.607 347 HB3 ALA 44 2HB ALA 44 0.049 -3.740 1.452 348 H ALA 45 H ALA 45 -3.904 -4.031 2.140 349 HA ALA 45 HA ALA 45 -5.095 -1.557 1.326 350 HB1 ALA 45 3HB ALA 45 -6.426 -2.980 0.268 351 HB2 ALA 45 1HB ALA 45 -5.734 -4.336 1.161 352 HB3 ALA 45 2HB ALA 45 -7.116 -3.459 1.819 353 H LYS 46 H LYS 46 -4.826 -3.305 4.296 354 HA LYS 46 HA LYS 46 -7.059 -2.098 5.612 355 HB2 LYS 46 1HB LYS 46 -5.202 -4.153 6.167 356 HB3 LYS 46 2HB LYS 46 -5.021 -2.951 7.455 357 HG2 LYS 46 1HG LYS 46 -7.765 -3.843 6.693 358 HG3 LYS 46 2HG LYS 46 -6.744 -4.906 7.678 359 HD2 LYS 46 1HD LYS 46 -6.369 -2.906 9.208 360 HD3 LYS 46 2HD LYS 46 -7.689 -2.123 8.322 361 HE2 LYS 46 1HE LYS 46 -9.178 -3.172 9.604 362 HE3 LYS 46 2HE LYS 46 -8.567 -4.724 9.012 363 HZ1 LYS 46 3HZ LYS 46 -8.413 -3.783 11.583 364 HZ2 LYS 46 1HZ LYS 46 -6.839 -3.618 10.986 365 HZ3 LYS 46 2HZ LYS 46 -7.601 -5.127 10.953 366 H LYS 47 H LYS 47 -3.547 -1.550 5.704 367 HA LYS 47 HA LYS 47 -3.522 0.529 7.558 368 HB2 LYS 47 1HB LYS 47 -1.707 -0.494 5.468 369 HB3 LYS 47 2HB LYS 47 -1.458 1.201 5.914 370 HG2 LYS 47 1HG LYS 47 -1.685 -0.021 8.363 371 HG3 LYS 47 2HG LYS 47 -0.830 -1.230 7.388 372 HD2 LYS 47 1HD LYS 47 0.849 0.426 6.753 373 HD3 LYS 47 2HD LYS 47 -0.018 1.663 7.680 374 HE2 LYS 47 1HE LYS 47 0.792 -0.846 9.085 375 HE3 LYS 47 2HE LYS 47 2.037 0.352 8.704 376 HZ1 LYS 47 3HZ LYS 47 -0.162 1.702 9.786 377 HZ2 LYS 47 1HZ LYS 47 1.387 1.528 10.445 378 HZ3 LYS 47 2HZ LYS 47 0.185 0.392 10.800 379 H ALA 48 H ALA 48 -4.126 0.564 4.093 380 HA ALA 48 HA ALA 48 -3.992 3.315 3.634 381 HB1 ALA 48 3HB ALA 48 -6.028 2.352 1.980 382 HB2 ALA 48 1HB ALA 48 -4.315 2.512 1.589 383 HB3 ALA 48 2HB ALA 48 -4.937 0.989 2.227 384 H GLU 49 H GLU 49 -6.601 1.318 4.903 385 HA GLU 49 HA GLU 49 -8.536 3.437 4.873 386 HE2 GLU 49 HE2 GLU 49 -12.144 -0.774 6.427 387 HB2 GLU 49 1HB GLU 49 -8.893 0.846 4.848 388 HB3 GLU 49 2HB GLU 49 -8.781 1.004 6.607 389 HG2 GLU 49 1HG GLU 49 -10.683 2.412 6.709 390 HG3 GLU 49 2HG GLU 49 -10.696 2.619 4.952 391 H GLU 50 H GLU 50 -6.316 2.059 7.225 392 HA GLU 50 HA GLU 50 -7.355 3.432 9.484 393 HE2 GLU 50 HE2 GLU 50 -5.597 0.381 13.338 394 HB2 GLU 50 1HB GLU 50 -4.782 2.007 8.876 395 HB3 GLU 50 2HB GLU 50 -4.957 2.934 10.374 396 HG2 GLU 50 1HG GLU 50 -7.233 1.203 9.966 397 HG3 GLU 50 2HG GLU 50 -5.715 0.295 9.927 398 H LEU 51 H LEU 51 -4.666 4.092 7.267 399 HA LEU 51 HA LEU 51 -3.886 6.507 8.570 400 HG LEU 51 HG LEU 51 -4.109 4.768 5.321 401 HB2 LEU 51 1HB LEU 51 -2.448 6.869 6.649 402 HB3 LEU 51 2HB LEU 51 -2.333 5.195 7.219 403 HD11 LEU 51 1HD1 LEU 51 -4.451 6.388 3.841 404 HD12 LEU 51 2HD1 LEU 51 -2.721 6.683 3.669 405 HD13 LEU 51 3HD1 LEU 51 -3.629 7.484 4.951 406 HD21 LEU 51 3HD2 LEU 51 -1.141 5.125 5.013 407 HD22 LEU 51 1HD2 LEU 51 -2.153 4.459 3.731 408 HD23 LEU 51 2HD2 LEU 51 -2.045 3.636 5.288 409 H PHE 52 H PHE 52 -6.273 5.681 6.221 410 HA PHE 52 HA PHE 52 -6.601 8.085 4.860 411 HD1 PHE 52 HD2 PHE 52 -8.132 7.848 2.502 412 HD2 PHE 52 HD1 PHE 52 -10.658 7.357 5.893 413 HE1 PHE 52 HE2 PHE 52 -9.868 9.202 1.402 414 HE2 PHE 52 HE1 PHE 52 -12.397 8.708 4.798 415 HZ PHE 52 HZ PHE 52 -12.003 9.634 2.550 416 HB2 PHE 52 1HB PHE 52 -7.752 6.042 4.195 417 HB3 PHE 52 2HB PHE 52 -8.697 6.067 5.685 418 H LYS 53 H LYS 53 -7.347 7.259 8.123 419 HA LYS 53 HA LYS 53 -9.382 9.007 8.774 420 HB2 LYS 53 1HB LYS 53 -7.670 7.332 10.162 421 HB3 LYS 53 2HB LYS 53 -7.283 8.938 10.803 422 HG2 LYS 53 1HG LYS 53 -8.941 8.263 12.242 423 HG3 LYS 53 2HG LYS 53 -9.865 9.172 11.033 424 HD2 LYS 53 1HD LYS 53 -11.154 7.292 11.105 425 HD3 LYS 53 2HD LYS 53 -9.982 6.780 9.879 426 HE2 LYS 53 1HE LYS 53 -8.609 5.863 11.869 427 HE3 LYS 53 2HE LYS 53 -10.119 6.024 12.778 428 HZ1 LYS 53 3HZ LYS 53 -9.919 4.513 10.234 429 HZ2 LYS 53 1HZ LYS 53 -11.201 4.511 11.337 430 HZ3 LYS 53 2HZ LYS 53 -9.727 3.797 11.755 431 H LEU 54 H LEU 54 -5.908 9.649 8.550 432 HA LEU 54 HA LEU 54 -5.995 12.311 9.471 433 HG LEU 54 HG LEU 54 -4.019 9.717 9.523 434 HB2 LEU 54 1HB LEU 54 -4.038 11.094 7.515 435 HB3 LEU 54 2HB LEU 54 -3.793 12.547 8.500 436 HD11 LEU 54 1HD1 LEU 54 -1.898 9.934 8.561 437 HD12 LEU 54 2HD1 LEU 54 -1.642 10.273 10.271 438 HD13 LEU 54 3HD1 LEU 54 -1.719 11.600 9.113 439 HD21 LEU 54 3HD2 LEU 54 -4.431 12.242 10.829 440 HD22 LEU 54 1HD2 LEU 54 -3.011 11.434 11.494 441 HD23 LEU 54 2HD2 LEU 54 -4.570 10.608 11.481 442 H ALA 55 H ALA 55 -6.661 10.867 6.375 443 HA ALA 55 HA ALA 55 -6.390 13.047 4.676 444 HB1 ALA 55 3HB ALA 55 -8.668 11.147 4.329 445 HB2 ALA 55 1HB ALA 55 -7.590 11.841 3.119 446 HB3 ALA 55 2HB ALA 55 -7.009 10.566 4.191 447 H GLU 56 H GLU 56 -8.859 12.330 7.028 448 HA GLU 56 HA GLU 56 -10.742 14.257 6.035 449 HE2 GLU 56 HE2 GLU 56 -14.376 11.235 8.252 450 HB2 GLU 56 1HB GLU 56 -10.759 13.214 8.850 451 HB3 GLU 56 2HB GLU 56 -12.124 13.621 7.799 452 HG2 GLU 56 1HG GLU 56 -11.300 11.637 6.350 453 HG3 GLU 56 2HG GLU 56 -10.428 11.163 7.815 454 H GLU 57 H GLU 57 -8.021 14.294 8.166 455 HA GLU 57 HA GLU 57 -8.653 16.560 9.709 456 HE2 GLU 57 HE2 GLU 57 -6.916 16.427 13.381 457 HB2 GLU 57 1HB GLU 57 -5.946 15.514 8.846 458 HB3 GLU 57 2HB GLU 57 -6.222 16.704 10.128 459 HG2 GLU 57 1HG GLU 57 -7.549 14.024 10.264 460 HG3 GLU 57 2HG GLU 57 -5.855 14.214 10.739 461 H ARG 58 H ARG 58 -6.833 16.233 6.676 462 HA ARG 58 HA ARG 58 -6.472 19.076 6.418 463 HE ARG 58 HE ARG 58 -5.004 16.380 6.888 464 HB2 ARG 58 1HB ARG 58 -5.674 18.388 4.073 465 HB3 ARG 58 2HB ARG 58 -4.732 17.832 5.466 466 HG2 ARG 58 1HG ARG 58 -6.786 15.916 4.813 467 HG3 ARG 58 2HG ARG 58 -5.776 16.277 3.402 468 HD2 ARG 58 1HD ARG 58 -4.996 14.372 4.902 469 HD3 ARG 58 2HD ARG 58 -3.806 15.618 4.501 470 HH11 ARG 58 1HH1 ARG 58 -3.036 13.773 5.683 471 HH12 ARG 58 2HH1 ARG 58 -2.279 13.465 7.211 472 HH21 ARG 58 1HH2 ARG 58 -4.015 15.984 8.905 473 HH22 ARG 58 2HH2 ARG 58 -2.837 14.723 9.043 474 H LEU 59 H LEU 59 -8.860 16.775 5.508 475 HA LEU 59 HA LEU 59 -9.995 18.407 3.405 476 HG LEU 59 HG LEU 59 -11.119 16.841 1.765 477 HB2 LEU 59 1HB LEU 59 -9.997 15.802 3.663 478 HB3 LEU 59 2HB LEU 59 -11.417 16.110 4.676 479 HD11 LEU 59 1HD1 LEU 59 -12.242 14.527 3.203 480 HD12 LEU 59 2HD1 LEU 59 -11.593 14.647 1.567 481 HD13 LEU 59 3HD1 LEU 59 -13.236 15.191 1.905 482 HD21 LEU 59 3HD2 LEU 59 -13.379 17.265 3.714 483 HD22 LEU 59 1HD2 LEU 59 -13.545 17.397 1.963 484 HD23 LEU 59 2HD2 LEU 59 -12.474 18.496 2.831 485 H LYS 60 H LYS 60 -11.469 17.034 6.347 486 HA LYS 60 HA LYS 60 -12.999 19.536 6.627 487 HB2 LYS 60 1HB LYS 60 -14.562 18.038 8.021 488 HB3 LYS 60 2HB LYS 60 -14.581 17.851 6.260 489 HG2 LYS 60 1HG LYS 60 -12.641 16.102 7.560 490 HG3 LYS 60 2HG LYS 60 -14.309 15.827 8.095 491 HD2 LYS 60 1HD LYS 60 -13.442 15.942 5.198 492 HD3 LYS 60 2HD LYS 60 -13.646 14.449 6.131 493 HE2 LYS 60 1HE LYS 60 -16.024 15.156 6.580 494 HE3 LYS 60 2HE LYS 60 -15.766 16.470 5.424 495 HZ1 LYS 60 3HZ LYS 60 -14.951 13.992 4.312 496 HZ2 LYS 60 1HZ LYS 60 -16.105 15.090 3.743 497 HZ3 LYS 60 2HZ LYS 60 -16.551 13.894 4.851 498 H LYS 61 H LYS 61 -13.900 19.486 9.108 499 HA LYS 61 HA LYS 61 -11.475 19.761 10.700 500 HB2 LYS 61 1HB LYS 61 -12.821 21.016 12.258 501 HB3 LYS 61 2HB LYS 61 -13.142 21.600 10.617 502 HG2 LYS 61 1HG LYS 61 -15.198 20.223 10.556 503 HG3 LYS 61 2HG LYS 61 -14.892 19.765 12.241 504 HD2 LYS 61 1HD LYS 61 -14.703 22.565 12.186 505 HD3 LYS 61 2HD LYS 61 -16.110 22.156 11.188 506 HE2 LYS 61 1HE LYS 61 -17.293 21.298 12.941 507 HE3 LYS 61 2HE LYS 61 -15.837 20.724 13.766 508 HZ1 LYS 61 3HZ LYS 61 -15.603 23.446 13.802 509 HZ2 LYS 61 1HZ LYS 61 -16.085 22.468 15.096 510 HZ3 LYS 61 2HZ LYS 61 -17.248 23.182 14.098 511 H LEU 62 H LEU 62 -14.373 17.822 10.524 512 HA LEU 62 HA LEU 62 -15.009 15.917 11.591 513 HG LEU 62 HG LEU 62 -13.572 14.143 10.424 514 HB2 LEU 62 1HB LEU 62 -12.172 15.852 11.490 515 HB3 LEU 62 2HB LEU 62 -12.672 15.256 13.082 516 HD11 LEU 62 1HD1 LEU 62 -11.914 12.692 12.441 517 HD12 LEU 62 2HD1 LEU 62 -11.148 13.786 11.289 518 HD13 LEU 62 3HD1 LEU 62 -12.081 12.407 10.708 519 HD21 LEU 62 3HD2 LEU 62 -14.132 13.234 13.246 520 HD22 LEU 62 1HD2 LEU 62 -14.567 12.355 11.780 521 HD23 LEU 62 2HD2 LEU 62 -15.299 13.923 12.117 522 HA MET 1 HA MET 1 12.759 -24.256 -6.281 523 H1 MET 1 1H MET 1 14.353 -22.400 -5.879 524 HB2 MET 1 1HB MET 1 11.579 -23.291 -3.667 525 HB3 MET 1 2HB MET 1 11.025 -24.655 -4.649 526 HG2 MET 1 1HG MET 1 13.636 -25.328 -4.191 527 HG3 MET 1 2HG MET 1 13.190 -24.505 -2.694 528 HE1 MET 1 3HE MET 1 13.857 -26.457 -1.562 529 HE2 MET 1 1HE MET 1 12.716 -27.711 -1.074 530 HE3 MET 1 2HE MET 1 13.763 -27.968 -2.469 531 H LYS 2 H LYS 2 12.812 -22.321 -7.800 532 HA LYS 2 HA LYS 2 10.289 -20.823 -7.524 533 HB2 LYS 2 1HB LYS 2 11.257 -18.908 -8.534 534 HB3 LYS 2 2HB LYS 2 12.397 -19.440 -7.288 535 HG2 LYS 2 1HG LYS 2 13.616 -20.683 -9.158 536 HG3 LYS 2 2HG LYS 2 12.630 -19.710 -10.265 537 HD2 LYS 2 1HD LYS 2 13.488 -17.715 -8.764 538 HD3 LYS 2 2HD LYS 2 14.795 -18.855 -8.402 539 HE2 LYS 2 1HE LYS 2 15.777 -18.116 -10.274 540 HE3 LYS 2 2HE LYS 2 14.548 -19.052 -11.136 541 HZ1 LYS 2 3HZ LYS 2 13.273 -16.725 -10.555 542 HZ2 LYS 2 1HZ LYS 2 13.972 -17.119 -12.045 543 HZ3 LYS 2 2HZ LYS 2 14.843 -16.210 -10.915 544 H LYS 3 H LYS 3 9.000 -20.629 -9.329 545 HA LYS 3 HA LYS 3 9.918 -21.825 -11.835 546 HB2 LYS 3 1HB LYS 3 8.021 -23.034 -9.996 547 HB3 LYS 3 2HB LYS 3 7.294 -22.742 -11.584 548 HG2 LYS 3 1HG LYS 3 9.983 -24.000 -11.531 549 HG3 LYS 3 2HG LYS 3 8.601 -24.977 -11.005 550 HD2 LYS 3 1HD LYS 3 7.445 -24.518 -13.115 551 HD3 LYS 3 2HD LYS 3 8.813 -23.522 -13.642 552 HE2 LYS 3 1HE LYS 3 9.640 -26.183 -12.770 553 HE3 LYS 3 2HE LYS 3 8.485 -26.225 -14.110 554 HZ1 LYS 3 3HZ LYS 3 10.106 -25.669 -15.489 555 HZ2 LYS 3 1HZ LYS 3 11.214 -25.642 -14.211 556 HZ3 LYS 3 2HZ LYS 3 10.384 -24.232 -14.640 557 H LEU 4 H LEU 4 6.772 -20.784 -10.526 558 HA LEU 4 HA LEU 4 6.745 -18.598 -12.486 559 HG LEU 4 HG LEU 4 3.420 -19.578 -11.259 560 HB2 LEU 4 1HB LEU 4 4.657 -19.128 -13.338 561 HB3 LEU 4 2HB LEU 4 5.448 -20.707 -13.188 562 HD11 LEU 4 1HD1 LEU 4 2.218 -21.718 -12.247 563 HD12 LEU 4 2HD1 LEU 4 3.220 -21.330 -13.646 564 HD13 LEU 4 3HD1 LEU 4 2.086 -20.136 -13.016 565 HD21 LEU 4 3HD2 LEU 4 4.884 -22.207 -11.369 566 HD22 LEU 4 1HD2 LEU 4 3.429 -21.940 -10.408 567 HD23 LEU 4 2HD2 LEU 4 4.892 -21.015 -10.067 568 H ARG 5 H ARG 5 6.778 -19.284 -9.375 569 HA ARG 5 HA ARG 5 4.536 -17.878 -8.335 570 HE ARG 5 HE ARG 5 7.874 -22.141 -7.435 571 HB2 ARG 5 1HB ARG 5 7.205 -18.423 -7.014 572 HB3 ARG 5 2HB ARG 5 5.696 -17.988 -6.198 573 HG2 ARG 5 1HG ARG 5 4.828 -20.071 -6.352 574 HG3 ARG 5 2HG ARG 5 5.609 -20.390 -7.911 575 HD2 ARG 5 1HD ARG 5 7.769 -20.191 -6.232 576 HD3 ARG 5 2HD ARG 5 6.547 -20.938 -5.192 577 HH11 ARG 5 1HH1 ARG 5 5.014 -22.186 -5.452 578 HH12 ARG 5 2HH1 ARG 5 4.643 -23.844 -5.796 579 HH21 ARG 5 1HH2 ARG 5 7.397 -24.324 -7.896 580 HH22 ARG 5 2HH2 ARG 5 5.999 -25.059 -7.186 581 H GLU 6 H GLU 6 7.752 -16.951 -9.346 582 HA GLU 6 HA GLU 6 8.058 -14.501 -8.116 583 HE2 GLU 6 HE2 GLU 6 10.885 -14.614 -13.901 584 HB2 GLU 6 1HB GLU 6 9.633 -13.955 -9.778 585 HB3 GLU 6 2HB GLU 6 9.681 -15.721 -9.658 586 HG2 GLU 6 1HG GLU 6 8.257 -15.910 -11.638 587 HG3 GLU 6 2HG GLU 6 8.213 -14.146 -11.760 588 H GLU 7 H GLU 7 5.890 -15.409 -10.664 589 HA GLU 7 HA GLU 7 5.336 -12.983 -11.873 590 HE2 GLU 7 HE2 GLU 7 0.460 -13.187 -11.259 591 HB2 GLU 7 1HB GLU 7 3.276 -13.912 -12.591 592 HB3 GLU 7 2HB GLU 7 4.422 -15.259 -12.489 593 HG2 GLU 7 1HG GLU 7 2.617 -16.216 -11.490 594 HG3 GLU 7 2HG GLU 7 3.416 -15.511 -10.077 595 H ALA 8 H ALA 8 4.305 -14.207 -8.758 596 HA ALA 8 HA ALA 8 2.367 -12.140 -8.299 597 HB1 ALA 8 3HB ALA 8 2.866 -13.100 -5.828 598 HB2 ALA 8 1HB ALA 8 1.768 -13.863 -6.979 599 HB3 ALA 8 2HB ALA 8 3.423 -14.452 -6.814 600 H ALA 9 H ALA 9 5.778 -12.531 -7.777 601 HA ALA 9 HA ALA 9 6.192 -10.635 -5.755 602 HB1 ALA 9 3HB ALA 9 7.790 -12.286 -7.347 603 HB2 ALA 9 1HB ALA 9 8.363 -10.644 -7.644 604 HB3 ALA 9 2HB ALA 9 8.305 -11.275 -5.997 605 H LYS 10 H LYS 10 6.127 -10.286 -9.285 606 HA LYS 10 HA LYS 10 6.887 -7.620 -9.475 607 HB2 LYS 10 1HB LYS 10 4.797 -8.942 -11.213 608 HB3 LYS 10 2HB LYS 10 5.886 -7.615 -11.651 609 HG2 LYS 10 1HG LYS 10 7.495 -9.796 -10.809 610 HG3 LYS 10 2HG LYS 10 6.283 -10.410 -11.948 611 HD2 LYS 10 1HD LYS 10 8.044 -8.003 -12.462 612 HD3 LYS 10 2HD LYS 10 8.388 -9.645 -13.037 613 HE2 LYS 10 1HE LYS 10 7.142 -9.245 -14.840 614 HE3 LYS 10 2HE LYS 10 5.733 -9.096 -13.780 615 HZ1 LYS 10 3HZ LYS 10 7.437 -6.751 -13.940 616 HZ2 LYS 10 1HZ LYS 10 5.749 -6.865 -13.915 617 HZ3 LYS 10 2HZ LYS 10 6.595 -7.138 -15.354 618 H LEU 11 H LEU 11 3.747 -9.032 -8.745 619 HA LEU 11 HA LEU 11 2.103 -6.828 -9.014 620 HG LEU 11 HG LEU 11 2.088 -10.192 -8.747 621 HB2 LEU 11 1HB LEU 11 1.913 -8.841 -6.773 622 HB3 LEU 11 2HB LEU 11 0.600 -7.891 -7.491 623 HD11 LEU 11 1HD1 LEU 11 0.485 -11.165 -7.431 624 HD12 LEU 11 2HD1 LEU 11 -0.429 -10.912 -8.918 625 HD13 LEU 11 3HD1 LEU 11 -0.618 -9.794 -7.567 626 HD21 LEU 11 3HD2 LEU 11 1.678 -8.441 -10.410 627 HD22 LEU 11 1HD2 LEU 11 -0.028 -8.422 -9.966 628 HD23 LEU 11 2HD2 LEU 11 0.675 -9.863 -10.700 629 H PHE 12 H PHE 12 4.139 -7.750 -6.268 630 HA PHE 12 HA PHE 12 3.304 -5.586 -4.611 631 HD1 PHE 12 HD2 PHE 12 2.393 -6.564 -3.070 632 HD2 PHE 12 HD1 PHE 12 5.479 -9.461 -3.515 633 HE1 PHE 12 HE2 PHE 12 0.951 -8.256 -2.015 634 HE2 PHE 12 HE1 PHE 12 4.042 -11.159 -2.462 635 HZ PHE 12 HZ PHE 12 1.775 -10.557 -1.710 636 HB2 PHE 12 1HB PHE 12 5.752 -7.367 -4.485 637 HB3 PHE 12 2HB PHE 12 5.289 -6.218 -3.229 638 H GLU 13 H GLU 13 5.603 -5.934 -7.155 639 HA GLU 13 HA GLU 13 7.411 -3.893 -6.504 640 HE2 GLU 13 HE2 GLU 13 9.677 -5.087 -11.616 641 HB2 GLU 13 1HB GLU 13 7.151 -5.699 -8.551 642 HB3 GLU 13 2HB GLU 13 6.808 -4.163 -9.365 643 HG2 GLU 13 1HG GLU 13 8.923 -3.253 -8.712 644 HG3 GLU 13 2HG GLU 13 9.256 -4.659 -7.690 645 H GLU 14 H GLU 14 4.320 -3.816 -8.212 646 HA GLU 14 HA GLU 14 4.500 -1.031 -8.860 647 HE2 GLU 14 HE2 GLU 14 1.619 -1.675 -12.936 648 HB2 GLU 14 1HB GLU 14 1.967 -2.668 -8.761 649 HB3 GLU 14 2HB GLU 14 2.316 -1.249 -9.761 650 HG2 GLU 14 1HG GLU 14 4.228 -2.828 -10.699 651 HG3 GLU 14 2HG GLU 14 3.108 -4.080 -10.143 652 H TRP 15 H TRP 15 3.198 -2.916 -6.225 653 HA TRP 15 HA TRP 15 1.462 -1.104 -5.055 654 HD1 TRP 15 HD1 TRP 15 0.668 -3.150 -6.153 655 HE1 TRP 15 HE1 TRP 15 -1.271 -4.784 -5.712 656 HE3 TRP 15 HE3 TRP 15 1.546 -4.140 -1.214 657 HZ2 TRP 15 HZ2 TRP 15 -2.293 -6.293 -3.556 658 HZ3 TRP 15 HZ3 TRP 15 0.041 -5.689 -0.036 659 HH2 TRP 15 HH2 TRP 15 -1.838 -6.741 -1.185 660 HB2 TRP 15 1HB TRP 15 3.235 -3.262 -3.938 661 HB3 TRP 15 2HB TRP 15 2.296 -2.236 -2.853 662 H LYS 16 H LYS 16 4.921 -1.538 -4.296 663 HA LYS 16 HA LYS 16 5.065 0.731 -2.604 664 HB2 LYS 16 1HB LYS 16 7.521 0.449 -2.795 665 HB3 LYS 16 2HB LYS 16 6.679 -1.055 -2.386 666 HG2 LYS 16 1HG LYS 16 6.799 -1.734 -4.767 667 HG3 LYS 16 2HG LYS 16 7.754 -0.275 -5.089 668 HD2 LYS 16 1HD LYS 16 8.752 -1.891 -2.845 669 HD3 LYS 16 2HD LYS 16 8.791 -2.711 -4.416 670 HE2 LYS 16 1HE LYS 16 9.823 -0.420 -5.229 671 HE3 LYS 16 2HE LYS 16 10.236 -0.263 -3.516 672 HZ1 LYS 16 3HZ LYS 16 11.982 -1.544 -3.912 673 HZ2 LYS 16 1HZ LYS 16 11.485 -1.841 -5.501 674 HZ3 LYS 16 2HZ LYS 16 10.942 -2.836 -4.247 675 H LYS 17 H LYS 17 5.771 0.209 -6.023 676 HA LYS 17 HA LYS 17 7.000 2.633 -6.615 677 HB2 LYS 17 1HB LYS 17 5.961 0.419 -8.052 678 HB3 LYS 17 2HB LYS 17 5.286 1.884 -8.784 679 HG2 LYS 17 1HG LYS 17 7.322 2.656 -9.491 680 HG3 LYS 17 2HG LYS 17 8.204 1.800 -8.213 681 HD2 LYS 17 1HD LYS 17 6.818 -0.049 -9.974 682 HD3 LYS 17 2HD LYS 17 7.932 1.005 -10.863 683 HE2 LYS 17 1HE LYS 17 8.768 -0.436 -8.349 684 HE3 LYS 17 2HE LYS 17 8.867 -1.190 -9.947 685 HZ1 LYS 17 3HZ LYS 17 10.249 1.286 -9.068 686 HZ2 LYS 17 1HZ LYS 17 10.252 0.713 -10.659 687 HZ3 LYS 17 2HZ LYS 17 10.964 -0.204 -9.430 688 H LEU 18 H LEU 18 3.543 1.796 -6.784 689 HA LEU 18 HA LEU 18 2.583 4.261 -7.640 690 HG LEU 18 HG LEU 18 1.935 1.643 -8.301 691 HB2 LEU 18 1HB LEU 18 1.267 2.268 -5.784 692 HB3 LEU 18 2HB LEU 18 0.441 3.587 -6.633 693 HD11 LEU 18 1HD1 LEU 18 0.065 0.759 -6.357 694 HD12 LEU 18 2HD1 LEU 18 0.858 -0.171 -7.628 695 HD13 LEU 18 3HD1 LEU 18 -0.685 0.621 -7.948 696 HD21 LEU 18 3HD2 LEU 18 0.534 3.698 -9.019 697 HD22 LEU 18 1HD2 LEU 18 -0.853 2.658 -8.697 698 HD23 LEU 18 2HD2 LEU 18 0.346 2.182 -9.901 699 H ALA 19 H ALA 19 3.361 3.132 -4.393 700 HA ALA 19 HA ALA 19 2.327 5.435 -3.058 701 HB1 ALA 19 3HB ALA 19 2.544 4.054 -1.336 702 HB2 ALA 19 1HB ALA 19 3.485 2.930 -2.317 703 HB3 ALA 19 2HB ALA 19 4.294 4.231 -1.442 704 H GLU 20 H GLU 20 5.422 4.542 -4.431 705 HA GLU 20 HA GLU 20 7.061 6.433 -3.199 706 HE2 GLU 20 HE2 GLU 20 11.420 4.404 -4.642 707 HB2 GLU 20 1HB GLU 20 7.212 5.292 -5.999 708 HB3 GLU 20 2HB GLU 20 8.510 6.197 -5.207 709 HG2 GLU 20 1HG GLU 20 7.615 4.029 -3.528 710 HG3 GLU 20 2HG GLU 20 8.074 3.446 -5.134 711 H GLU 21 H GLU 21 5.233 6.674 -6.241 712 HA GLU 21 HA GLU 21 5.966 9.403 -6.680 713 HE2 GLU 21 HE2 GLU 21 5.909 9.272 -11.567 714 HB2 GLU 21 1HB GLU 21 3.677 7.847 -7.903 715 HB3 GLU 21 2HB GLU 21 4.401 9.337 -8.529 716 HG2 GLU 21 1HG GLU 21 6.385 7.253 -8.162 717 HG3 GLU 21 2HG GLU 21 5.070 6.746 -9.232 718 H ALA 22 H ALA 22 2.987 7.790 -5.602 719 HA ALA 22 HA ALA 22 1.400 10.052 -5.272 720 HB1 ALA 22 3HB ALA 22 0.244 8.054 -5.134 721 HB2 ALA 22 1HB ALA 22 1.400 7.343 -4.005 722 HB3 ALA 22 2HB ALA 22 0.276 8.585 -3.451 723 H ALA 23 H ALA 23 3.917 8.737 -3.239 724 HA ALA 23 HA ALA 23 3.278 10.234 -0.902 725 HB1 ALA 23 3HB ALA 23 4.582 8.412 -0.399 726 HB2 ALA 23 1HB ALA 23 5.616 8.625 -1.812 727 HB3 ALA 23 2HB ALA 23 5.795 9.692 -0.418 728 H LYS 24 H LYS 24 5.833 10.626 -3.362 729 HA LYS 24 HA LYS 24 6.809 13.074 -2.389 730 HB2 LYS 24 1HB LYS 24 7.821 13.333 -4.646 731 HB3 LYS 24 2HB LYS 24 8.133 11.752 -3.909 732 HG2 LYS 24 1HG LYS 24 6.370 10.747 -5.271 733 HG3 LYS 24 2HG LYS 24 6.050 12.327 -6.007 734 HD2 LYS 24 1HD LYS 24 8.841 11.269 -6.091 735 HD3 LYS 24 2HD LYS 24 7.631 10.557 -7.172 736 HE2 LYS 24 1HE LYS 24 7.385 12.469 -8.408 737 HE3 LYS 24 2HE LYS 24 7.772 13.519 -7.036 738 HZ1 LYS 24 3HZ LYS 24 9.458 13.240 -8.963 739 HZ2 LYS 24 1HZ LYS 24 9.874 11.805 -8.170 740 HZ3 LYS 24 2HZ LYS 24 10.017 13.287 -7.368 741 H LEU 25 H LEU 25 4.214 12.301 -4.626 742 HA LEU 25 HA LEU 25 3.789 15.018 -5.443 743 HG LEU 25 HG LEU 25 3.959 13.448 -7.704 744 HB2 LEU 25 1HB LEU 25 2.602 12.380 -5.983 745 HB3 LEU 25 2HB LEU 25 1.462 13.737 -6.034 746 HD11 LEU 25 1HD1 LEU 25 1.125 13.524 -8.678 747 HD12 LEU 25 2HD1 LEU 25 1.897 12.010 -8.204 748 HD13 LEU 25 3HD1 LEU 25 2.574 12.972 -9.519 749 HD21 LEU 25 3HD2 LEU 25 2.664 15.784 -6.903 750 HD22 LEU 25 1HD2 LEU 25 2.088 15.474 -8.542 751 HD23 LEU 25 2HD2 LEU 25 3.818 15.603 -8.225 752 H LEU 26 H LEU 26 2.368 12.829 -3.076 753 HA LEU 26 HA LEU 26 0.108 14.209 -2.332 754 HG LEU 26 HG LEU 26 -0.447 11.887 -2.062 755 HB2 LEU 26 1HB LEU 26 1.945 12.308 -1.048 756 HB3 LEU 26 2HB LEU 26 1.042 13.335 0.080 757 HD11 LEU 26 1HD1 LEU 26 -0.477 9.859 -0.955 758 HD12 LEU 26 2HD1 LEU 26 0.103 10.555 0.557 759 HD13 LEU 26 3HD1 LEU 26 1.210 10.347 -0.800 760 HD21 LEU 26 3HD2 LEU 26 -2.064 11.750 -0.073 761 HD22 LEU 26 1HD2 LEU 26 -1.807 13.324 -0.826 762 HD23 LEU 26 2HD2 LEU 26 -1.003 12.932 0.695 763 H GLU 27 H GLU 27 3.387 14.631 -1.004 764 HA GLU 27 HA GLU 27 2.581 16.947 0.516 765 HE2 GLU 27 HE2 GLU 27 8.667 16.550 -0.120 766 HB2 GLU 27 1HB GLU 27 5.020 17.094 1.071 767 HB3 GLU 27 2HB GLU 27 4.260 15.553 1.495 768 HG2 GLU 27 1HG GLU 27 5.467 14.365 -0.003 769 HG3 GLU 27 2HG GLU 27 5.529 15.698 -1.165 770 H GLY 28 H GLY 28 3.565 16.356 -2.667 771 HA2 GLY 28 1HA GLY 28 4.188 17.721 -4.406 772 HA3 GLY 28 2HA GLY 28 3.304 18.970 -3.543 773 H GLY 29 H GLY 29 6.060 17.437 -2.076 774 HA2 GLY 29 1HA GLY 29 8.299 18.163 -2.000 775 HA3 GLY 29 2HA GLY 29 7.835 19.614 -2.878 776 H GLY 30 H GLY 30 6.428 18.262 0.085 777 HA2 GLY 30 1HA GLY 30 7.010 20.835 1.398 778 HA3 GLY 30 2HA GLY 30 5.708 19.741 1.845 779 H GLY 31 H GLY 31 6.030 18.445 3.538 780 HA2 GLY 31 1HA GLY 31 7.223 16.997 4.943 781 HA3 GLY 31 2HA GLY 31 8.718 17.534 4.191 782 H GLY 32 H GLY 32 7.429 17.380 7.058 783 HA2 GLY 32 1HA GLY 32 7.775 18.497 9.033 784 HA3 GLY 32 2HA GLY 32 9.010 19.419 8.189 785 H GLY 33 H GLY 33 5.507 19.213 8.718 786 HA2 GLY 33 1HA GLY 33 4.234 21.097 9.436 787 HA3 GLY 33 2HA GLY 33 5.432 22.150 8.698 788 H GLY 34 H GLY 34 5.547 20.729 6.188 789 HA2 GLY 34 1HA GLY 34 2.974 21.649 5.086 790 HA3 GLY 34 2HA GLY 34 4.489 21.585 4.198 791 H GLY 35 H GLY 35 4.901 18.846 5.555 792 HA2 GLY 35 1HA GLY 35 2.861 17.205 4.334 793 HA3 GLY 35 2HA GLY 35 4.399 17.173 3.486 794 H GLU 36 H GLU 36 4.330 17.585 6.931 795 HA GLU 36 HA GLU 36 5.899 15.215 7.302 796 HE2 GLU 36 HE2 GLU 36 7.660 17.345 12.155 797 HB2 GLU 36 1HB GLU 36 6.479 17.018 8.701 798 HB3 GLU 36 2HB GLU 36 4.794 17.303 9.165 799 HG2 GLU 36 1HG GLU 36 4.762 15.225 10.436 800 HG3 GLU 36 2HG GLU 36 6.432 14.905 9.951 801 H LEU 37 H LEU 37 2.554 15.981 7.424 802 HA LEU 37 HA LEU 37 1.730 13.915 9.203 803 HG LEU 37 HG LEU 37 0.964 17.031 7.712 804 HB2 LEU 37 1HB LEU 37 -0.072 14.959 7.063 805 HB3 LEU 37 2HB LEU 37 -0.426 14.568 8.754 806 HD11 LEU 37 1HD1 LEU 37 -1.586 16.798 9.289 807 HD12 LEU 37 2HD1 LEU 37 -1.541 16.854 7.528 808 HD13 LEU 37 3HD1 LEU 37 -0.939 18.219 8.468 809 HD21 LEU 37 3HD2 LEU 37 1.968 17.200 9.685 810 HD22 LEU 37 1HD2 LEU 37 1.167 15.742 10.271 811 HD23 LEU 37 2HD2 LEU 37 0.375 17.310 10.437 812 H MET 38 H MET 38 1.655 14.219 5.654 813 HA MET 38 HA MET 38 0.604 11.721 5.059 814 HB2 MET 38 1HB MET 38 0.885 13.490 3.392 815 HB3 MET 38 2HB MET 38 2.643 13.311 3.490 816 HG2 MET 38 1HG MET 38 1.539 10.749 2.934 817 HG3 MET 38 2HG MET 38 0.811 11.923 1.834 818 HE1 MET 38 3HE MET 38 4.428 12.425 3.340 819 HE2 MET 38 1HE MET 38 4.196 10.677 3.330 820 HE3 MET 38 2HE MET 38 5.377 11.416 2.249 821 H LYS 39 H LYS 39 3.753 12.584 6.189 822 HA LYS 39 HA LYS 39 5.323 10.489 5.291 823 HB2 LYS 39 1HB LYS 39 6.163 12.433 6.562 824 HB3 LYS 39 2HB LYS 39 5.409 11.779 8.025 825 HG2 LYS 39 1HG LYS 39 6.934 9.666 7.156 826 HG3 LYS 39 2HG LYS 39 7.929 11.075 6.746 827 HD2 LYS 39 1HD LYS 39 6.670 11.085 9.433 828 HD3 LYS 39 2HD LYS 39 7.964 9.904 9.161 829 HE2 LYS 39 1HE LYS 39 9.581 11.504 8.913 830 HE3 LYS 39 2HE LYS 39 8.444 12.686 8.250 831 HZ1 LYS 39 3HZ LYS 39 8.051 13.531 10.257 832 HZ2 LYS 39 1HZ LYS 39 9.421 12.687 10.779 833 HZ3 LYS 39 2HZ LYS 39 7.884 12.011 10.981 834 H LEU 40 H LEU 40 2.825 10.505 7.713 835 HA LEU 40 HA LEU 40 3.536 8.009 8.912 836 HG LEU 40 HG LEU 40 3.139 9.480 10.979 837 HB2 LEU 40 1HB LEU 40 1.460 10.031 9.205 838 HB3 LEU 40 2HB LEU 40 0.833 8.382 9.375 839 HD11 LEU 40 1HD1 LEU 40 0.403 9.015 12.081 840 HD12 LEU 40 2HD1 LEU 40 0.780 10.536 11.273 841 HD13 LEU 40 3HD1 LEU 40 1.703 10.040 12.691 842 HD21 LEU 40 3HD2 LEU 40 1.442 7.010 11.328 843 HD22 LEU 40 1HD2 LEU 40 2.753 7.535 12.386 844 HD23 LEU 40 2HD2 LEU 40 3.102 7.043 10.729 845 H CYS 41 H CYS 41 1.420 9.014 6.295 846 HA CYS 41 HA CYS 41 0.181 6.455 5.973 847 HG CYS 41 HG CYS 41 -0.499 10.095 6.088 848 HB2 CYS 41 1HB CYS 41 0.364 8.645 3.907 849 HB3 CYS 41 2HB CYS 41 -0.874 7.384 4.041 850 H GLU 42 H GLU 42 2.973 8.082 4.618 851 HA GLU 42 HA GLU 42 3.463 6.493 2.394 852 HE2 GLU 42 HE2 GLU 42 8.875 8.551 1.355 853 HB2 GLU 42 1HB GLU 42 4.724 8.512 2.788 854 HB3 GLU 42 2HB GLU 42 5.413 7.834 4.270 855 HG2 GLU 42 1HG GLU 42 6.635 6.173 3.001 856 HG3 GLU 42 2HG GLU 42 5.892 6.754 1.503 857 H GLU 43 H GLU 43 3.837 5.783 5.763 858 HA GLU 43 HA GLU 43 5.720 3.747 5.721 859 HE2 GLU 43 HE2 GLU 43 6.878 4.988 10.598 860 HB2 GLU 43 1HB GLU 43 3.222 3.845 7.427 861 HB3 GLU 43 2HB GLU 43 4.705 2.946 7.779 862 HG2 GLU 43 1HG GLU 43 5.205 5.778 7.341 863 HG3 GLU 43 2HG GLU 43 4.077 5.475 8.669 864 H ALA 44 H ALA 44 2.461 3.774 4.562 865 HA ALA 44 HA ALA 44 1.748 1.110 4.611 866 HB1 ALA 44 3HB ALA 44 1.134 3.352 2.741 867 HB2 ALA 44 1HB ALA 44 0.589 1.720 2.353 868 HB3 ALA 44 2HB ALA 44 0.070 2.491 3.852 869 H ALA 45 H ALA 45 3.759 2.802 2.231 870 HA ALA 45 HA ALA 45 4.150 0.480 0.601 871 HB1 ALA 45 3HB ALA 45 4.755 2.053 -0.839 872 HB2 ALA 45 1HB ALA 45 4.752 3.266 0.442 873 HB3 ALA 45 2HB ALA 45 6.214 2.338 0.111 874 H LYS 46 H LYS 46 5.645 1.771 3.427 875 HA LYS 46 HA LYS 46 8.193 0.542 3.134 876 HB2 LYS 46 1HB LYS 46 6.933 2.283 4.968 877 HB3 LYS 46 2HB LYS 46 7.460 0.870 5.896 878 HG2 LYS 46 1HG LYS 46 9.378 2.146 3.996 879 HG3 LYS 46 2HG LYS 46 9.048 2.920 5.557 880 HD2 LYS 46 1HD LYS 46 9.537 0.661 6.628 881 HD3 LYS 46 2HD LYS 46 10.176 0.177 5.047 882 HE2 LYS 46 1HE LYS 46 12.124 1.140 5.535 883 HE3 LYS 46 2HE LYS 46 11.298 2.699 5.673 884 HZ1 LYS 46 3HZ LYS 46 12.538 1.325 7.696 885 HZ2 LYS 46 1HZ LYS 46 10.887 1.103 7.995 886 HZ3 LYS 46 2HZ LYS 46 11.519 2.666 7.867 887 H LYS 47 H LYS 47 5.248 -0.360 4.905 888 HA LYS 47 HA LYS 47 6.202 -2.712 6.067 889 HB2 LYS 47 1HB LYS 47 3.562 -1.533 5.473 890 HB3 LYS 47 2HB LYS 47 3.576 -3.296 5.640 891 HG2 LYS 47 1HG LYS 47 5.072 -2.489 7.798 892 HG3 LYS 47 2HG LYS 47 3.836 -1.224 7.670 893 HD2 LYS 47 1HD LYS 47 2.067 -2.909 7.691 894 HD3 LYS 47 2HD LYS 47 3.289 -4.192 7.766 895 HE2 LYS 47 1HE LYS 47 3.358 -2.051 9.848 896 HE3 LYS 47 2HE LYS 47 2.094 -3.285 9.945 897 HZ1 LYS 47 3HZ LYS 47 4.525 -4.573 9.435 898 HZ2 LYS 47 1HZ LYS 47 3.562 -4.667 10.823 899 HZ3 LYS 47 2HZ LYS 47 4.775 -3.495 10.715 900 H ALA 48 H ALA 48 4.862 -2.108 2.868 901 HA ALA 48 HA ALA 48 4.476 -4.726 2.010 902 HB1 ALA 48 3HB ALA 48 5.393 -3.322 -0.225 903 HB2 ALA 48 1HB ALA 48 3.720 -3.549 0.287 904 HB3 ALA 48 2HB ALA 48 4.614 -2.118 0.804 905 H GLU 49 H GLU 49 7.412 -2.813 2.224 906 HA GLU 49 HA GLU 49 9.023 -4.668 0.746 907 HE2 GLU 49 HE2 GLU 49 13.032 -0.576 1.332 908 HB2 GLU 49 1HB GLU 49 9.386 -2.116 1.190 909 HB3 GLU 49 2HB GLU 49 10.157 -2.680 2.680 910 HG2 GLU 49 1HG GLU 49 11.823 -3.875 1.494 911 HG3 GLU 49 2HG GLU 49 10.959 -3.675 -0.036 912 H GLU 50 H GLU 50 8.168 -4.187 4.098 913 HA GLU 50 HA GLU 50 10.198 -5.773 5.256 914 HE2 GLU 50 HE2 GLU 50 10.013 -4.043 10.177 915 HB2 GLU 50 1HB GLU 50 7.487 -4.841 6.153 916 HB3 GLU 50 2HB GLU 50 8.400 -6.000 7.131 917 HG2 GLU 50 1HG GLU 50 10.069 -3.775 6.350 918 HG3 GLU 50 2HG GLU 50 8.604 -3.226 7.178 919 H LEU 51 H LEU 51 6.878 -6.531 4.251 920 HA LEU 51 HA LEU 51 7.050 -9.279 5.003 921 HG LEU 51 HG LEU 51 5.524 -6.789 2.755 922 HB2 LEU 51 1HB LEU 51 4.932 -9.531 3.796 923 HB3 LEU 51 2HB LEU 51 4.912 -8.155 4.912 924 HD11 LEU 51 1HD1 LEU 51 5.350 -7.803 0.787 925 HD12 LEU 51 2HD1 LEU 51 3.796 -8.515 1.218 926 HD13 LEU 51 3HD1 LEU 51 5.292 -9.335 1.660 927 HD21 LEU 51 3HD2 LEU 51 2.823 -7.854 3.528 928 HD22 LEU 51 1HD2 LEU 51 3.035 -6.623 2.283 929 HD23 LEU 51 2HD2 LEU 51 3.550 -6.300 3.938 930 H PHE 52 H PHE 52 7.769 -7.454 2.123 931 HA PHE 52 HA PHE 52 7.810 -9.590 0.280 932 HD1 PHE 52 HD2 PHE 52 7.554 -8.798 -2.415 933 HD2 PHE 52 HD1 PHE 52 11.315 -7.503 -0.898 934 HE1 PHE 52 HE2 PHE 52 8.627 -9.446 -4.532 935 HE2 PHE 52 HE1 PHE 52 12.394 -8.150 -3.012 936 HZ PHE 52 HZ PHE 52 11.051 -9.124 -4.831 937 HB2 PHE 52 1HB PHE 52 7.738 -7.260 -0.446 938 HB3 PHE 52 2HB PHE 52 9.330 -6.974 0.258 939 H LYS 53 H LYS 53 10.012 -8.583 2.734 940 HA LYS 53 HA LYS 53 12.451 -9.499 1.830 941 HB2 LYS 53 1HB LYS 53 11.445 -8.561 4.225 942 HB3 LYS 53 2HB LYS 53 11.945 -10.214 4.621 943 HG2 LYS 53 1HG LYS 53 13.860 -9.033 5.087 944 HG3 LYS 53 2HG LYS 53 14.153 -9.552 3.418 945 HD2 LYS 53 1HD LYS 53 14.684 -7.348 3.184 946 HD3 LYS 53 2HD LYS 53 12.939 -7.246 2.890 947 HE2 LYS 53 1HE LYS 53 12.738 -6.884 5.444 948 HE3 LYS 53 2HE LYS 53 14.472 -6.536 5.369 949 HZ1 LYS 53 3HZ LYS 53 12.474 -5.142 3.680 950 HZ2 LYS 53 1HZ LYS 53 14.095 -4.721 3.922 951 HZ3 LYS 53 2HZ LYS 53 12.981 -4.560 5.185 952 H LEU 54 H LEU 54 10.135 -11.376 3.794 953 HA LEU 54 HA LEU 54 11.524 -13.834 3.324 954 HG LEU 54 HG LEU 54 10.308 -12.252 5.885 955 HB2 LEU 54 1HB LEU 54 8.739 -13.384 4.410 956 HB3 LEU 54 2HB LEU 54 9.691 -14.874 4.528 957 HD11 LEU 54 1HD1 LEU 54 8.533 -13.233 7.048 958 HD12 LEU 54 2HD1 LEU 54 9.973 -13.742 7.929 959 HD13 LEU 54 3HD1 LEU 54 9.170 -14.862 6.829 960 HD21 LEU 54 3HD2 LEU 54 11.995 -14.478 5.219 961 HD22 LEU 54 1HD2 LEU 54 11.828 -14.339 6.970 962 HD23 LEU 54 2HD2 LEU 54 12.405 -12.964 6.027 963 H ALA 55 H ALA 55 9.000 -12.090 1.739 964 HA ALA 55 HA ALA 55 7.665 -14.139 0.398 965 HB1 ALA 55 3HB ALA 55 8.184 -11.522 -0.945 966 HB2 ALA 55 1HB ALA 55 6.717 -12.501 -0.921 967 HB3 ALA 55 2HB ALA 55 7.191 -11.586 0.511 968 H GLU 56 H GLU 56 10.821 -12.810 -0.093 969 HA GLU 56 HA GLU 56 11.136 -13.725 -2.791 970 HE2 GLU 56 HE2 GLU 56 14.507 -9.939 -3.451 971 HB2 GLU 56 1HB GLU 56 13.433 -13.176 -0.936 972 HB3 GLU 56 2HB GLU 56 13.313 -12.890 -2.679 973 HG2 GLU 56 1HG GLU 56 11.437 -11.196 -1.959 974 HG3 GLU 56 2HG GLU 56 12.303 -11.246 -0.417 975 H GLU 57 H GLU 57 11.560 -15.093 0.364 976 HA GLU 57 HA GLU 57 13.350 -17.173 -0.294 977 HE2 GLU 57 HE2 GLU 57 15.668 -18.332 2.851 978 HB2 GLU 57 1HB GLU 57 11.235 -17.031 1.867 979 HB3 GLU 57 2HB GLU 57 12.510 -18.255 1.776 980 HG2 GLU 57 1HG GLU 57 13.229 -15.350 1.825 981 HG3 GLU 57 2HG GLU 57 12.802 -16.194 3.321 982 H ARG 58 H ARG 58 9.800 -17.115 -0.070 983 HA ARG 58 HA ARG 58 9.559 -19.806 -1.056 984 HE ARG 58 HE ARG 58 9.117 -17.964 1.422 985 HB2 ARG 58 1HB ARG 58 7.081 -19.165 -1.166 986 HB3 ARG 58 2HB ARG 58 7.850 -19.183 0.429 987 HG2 ARG 58 1HG ARG 58 8.095 -16.573 -0.769 988 HG3 ARG 58 2HG ARG 58 6.403 -17.098 -0.730 989 HD2 ARG 58 1HD ARG 58 7.257 -15.834 1.312 990 HD3 ARG 58 2HD ARG 58 6.418 -17.364 1.603 991 HH11 ARG 58 1HH1 ARG 58 7.029 -16.065 3.459 992 HH12 ARG 58 2HH1 ARG 58 8.016 -16.255 4.870 993 HH21 ARG 58 1HH2 ARG 58 10.426 -18.220 3.271 994 HH22 ARG 58 2HH2 ARG 58 9.948 -17.480 4.762 995 H LEU 59 H LEU 59 9.872 -16.711 -2.450 996 HA LEU 59 HA LEU 59 8.583 -17.440 -4.950 997 HG LEU 59 HG LEU 59 7.468 -15.180 -3.485 998 HB2 LEU 59 1HB LEU 59 9.877 -14.964 -3.865 999 HB3 LEU 59 2HB LEU 59 9.612 -15.140 -5.609 1000 HD11 LEU 59 1HD1 LEU 59 8.660 -13.059 -5.147 1001 HD12 LEU 59 2HD1 LEU 59 7.839 -12.960 -3.589 1002 HD13 LEU 59 3HD1 LEU 59 6.898 -13.086 -5.076 1003 HD21 LEU 59 3HD2 LEU 59 7.333 -15.406 -6.487 1004 HD22 LEU 59 1HD2 LEU 59 5.943 -15.064 -5.455 1005 HD23 LEU 59 2HD2 LEU 59 6.805 -16.594 -5.294 1006 H LYS 60 H LYS 60 11.746 -15.915 -4.401 1007 HA LYS 60 HA LYS 60 12.860 -17.677 -6.473 1008 HB2 LYS 60 1HB LYS 60 14.736 -15.936 -6.479 1009 HB3 LYS 60 2HB LYS 60 13.168 -15.444 -7.140 1010 HG2 LYS 60 1HG LYS 60 13.380 -14.893 -4.291 1011 HG3 LYS 60 2HG LYS 60 14.642 -14.091 -5.244 1012 HD2 LYS 60 1HD LYS 60 11.689 -13.966 -5.889 1013 HD3 LYS 60 2HD LYS 60 12.567 -12.736 -4.963 1014 HE2 LYS 60 1HE LYS 60 14.125 -12.488 -6.927 1015 HE3 LYS 60 2HE LYS 60 13.028 -13.543 -7.829 1016 HZ1 LYS 60 3HZ LYS 60 11.586 -11.445 -6.577 1017 HZ2 LYS 60 1HZ LYS 60 11.678 -11.847 -8.218 1018 HZ3 LYS 60 2HZ LYS 60 12.828 -10.812 -7.536 1019 H LYS 61 H LYS 61 15.473 -17.652 -6.054 1020 HA LYS 61 HA LYS 61 15.753 -19.157 -3.578 1021 HB2 LYS 61 1HB LYS 61 17.850 -19.943 -4.473 1022 HB3 LYS 61 2HB LYS 61 16.604 -20.074 -5.725 1023 HG2 LYS 61 1HG LYS 61 17.419 -17.960 -6.723 1024 HG3 LYS 61 2HG LYS 61 18.720 -17.942 -5.520 1025 HD2 LYS 61 1HD LYS 61 18.791 -20.511 -6.650 1026 HD3 LYS 61 2HD LYS 61 18.549 -19.394 -8.004 1027 HE2 LYS 61 1HE LYS 61 20.583 -18.392 -7.739 1028 HE3 LYS 61 2HE LYS 61 20.578 -18.630 -5.986 1029 HZ1 LYS 61 3HZ LYS 61 20.703 -21.159 -7.009 1030 HZ2 LYS 61 1HZ LYS 61 21.995 -20.281 -6.359 1031 HZ3 LYS 61 2HZ LYS 61 21.718 -20.267 -8.027 1032 H LEU 62 H LEU 62 16.832 -16.170 -5.033 1033 HA LEU 62 HA LEU 62 17.937 -14.368 -4.196 1034 HG LEU 62 HG LEU 62 16.094 -13.201 -2.850 1035 HB2 LEU 62 1HB LEU 62 16.477 -15.480 -2.030 1036 HB3 LEU 62 2HB LEU 62 18.063 -14.983 -1.416 1037 HD11 LEU 62 1HD1 LEU 62 16.947 -12.905 -0.003 1038 HD12 LEU 62 2HD1 LEU 62 15.655 -14.027 -0.426 1039 HD13 LEU 62 3HD1 LEU 62 15.494 -12.314 -0.808 1040 HD21 LEU 62 3HD2 LEU 62 18.759 -12.588 -1.576 1041 HD22 LEU 62 1HD2 LEU 62 17.623 -11.394 -2.204 1042 HD23 LEU 62 2HD2 LEU 62 18.388 -12.544 -3.300 1043 HC1 HLT 101 HC1 HLT 101 -1.448 1.135 -2.017 Start of MODEL 12 1 HA MET 1 HA MET 1 -17.795 21.651 -1.061 2 H1 MET 1 1H MET 1 -18.271 19.584 -0.192 3 HB2 MET 1 1HB MET 1 -16.992 22.187 1.808 4 HB3 MET 1 2HB MET 1 -17.568 23.372 0.625 5 HG2 MET 1 1HG MET 1 -19.619 23.068 1.407 6 HG3 MET 1 2HG MET 1 -19.566 21.442 0.722 7 HE1 MET 1 3HE MET 1 -20.763 19.679 3.478 8 HE2 MET 1 1HE MET 1 -21.503 21.277 3.575 9 HE3 MET 1 2HE MET 1 -21.134 20.572 2.002 10 H LYS 2 H LYS 2 -15.725 20.033 -1.682 11 HA LYS 2 HA LYS 2 -13.604 21.840 -2.094 12 HB2 LYS 2 1HB LYS 2 -13.308 21.226 0.365 13 HB3 LYS 2 2HB LYS 2 -12.868 19.608 -0.207 14 HG2 LYS 2 1HG LYS 2 -10.855 20.828 0.194 15 HG3 LYS 2 2HG LYS 2 -11.054 20.639 -1.557 16 HD2 LYS 2 1HD LYS 2 -12.364 23.013 -1.051 17 HD3 LYS 2 2HD LYS 2 -10.989 23.063 0.066 18 HE2 LYS 2 1HE LYS 2 -9.410 22.866 -1.680 19 HE3 LYS 2 2HE LYS 2 -10.649 22.352 -2.833 20 HZ1 LYS 2 3HZ LYS 2 -9.952 25.031 -1.940 21 HZ2 LYS 2 1HZ LYS 2 -11.600 24.733 -2.180 22 HZ3 LYS 2 2HZ LYS 2 -10.505 24.502 -3.448 23 H LYS 3 H LYS 3 -11.833 20.890 -3.317 24 HA LYS 3 HA LYS 3 -12.324 18.188 -4.331 25 HB2 LYS 3 1HB LYS 3 -12.675 20.693 -5.816 26 HB3 LYS 3 2HB LYS 3 -11.601 19.538 -6.621 27 HG2 LYS 3 1HG LYS 3 -13.573 17.858 -6.016 28 HG3 LYS 3 2HG LYS 3 -14.506 19.363 -6.078 29 HD2 LYS 3 1HD LYS 3 -13.421 19.799 -8.333 30 HD3 LYS 3 2HD LYS 3 -12.845 18.124 -8.262 31 HE2 LYS 3 1HE LYS 3 -14.827 17.933 -9.468 32 HE3 LYS 3 2HE LYS 3 -15.316 17.525 -7.818 33 HZ1 LYS 3 3HZ LYS 3 -16.310 19.559 -9.458 34 HZ2 LYS 3 1HZ LYS 3 -15.555 20.294 -8.134 35 HZ3 LYS 3 2HZ LYS 3 -16.784 19.159 -7.883 36 H LEU 4 H LEU 4 -10.198 21.010 -4.229 37 HA LEU 4 HA LEU 4 -7.901 19.746 -5.270 38 HG LEU 4 HG LEU 4 -7.235 23.365 -5.455 39 HB2 LEU 4 1HB LEU 4 -8.428 22.206 -3.655 40 HB3 LEU 4 2HB LEU 4 -6.762 21.628 -3.835 41 HD11 LEU 4 1HD1 LEU 4 -7.122 20.707 -6.865 42 HD12 LEU 4 2HD1 LEU 4 -5.750 21.448 -6.042 43 HD13 LEU 4 3HD1 LEU 4 -6.486 22.252 -7.428 44 HD21 LEU 4 3HD2 LEU 4 -9.087 23.498 -6.718 45 HD22 LEU 4 1HD2 LEU 4 -9.769 22.401 -5.517 46 HD23 LEU 4 2HD2 LEU 4 -9.126 21.763 -7.030 47 H ARG 5 H ARG 5 -8.977 20.304 -1.929 48 HA ARG 5 HA ARG 5 -6.744 18.974 -0.758 49 HE ARG 5 HE ARG 5 -6.964 22.003 2.582 50 HB2 ARG 5 1HB ARG 5 -9.443 19.467 0.512 51 HB3 ARG 5 2HB ARG 5 -7.891 19.235 1.331 52 HG2 ARG 5 1HG ARG 5 -7.068 21.347 0.523 53 HG3 ARG 5 2HG ARG 5 -8.527 21.569 -0.459 54 HD2 ARG 5 1HD ARG 5 -9.453 22.637 1.265 55 HD3 ARG 5 2HD ARG 5 -9.458 21.094 2.129 56 HH11 ARG 5 1HH1 ARG 5 -10.106 23.463 2.913 57 HH12 ARG 5 2HH1 ARG 5 -9.634 24.493 4.224 58 HH21 ARG 5 1HH2 ARG 5 -6.330 23.353 4.307 59 HH22 ARG 5 2HH2 ARG 5 -7.486 24.430 5.015 60 H GLU 6 H GLU 6 -10.053 18.027 -1.558 61 HA GLU 6 HA GLU 6 -10.157 15.552 -0.316 62 HE2 GLU 6 HE2 GLU 6 -15.183 16.033 -0.721 63 HB2 GLU 6 1HB GLU 6 -11.951 16.872 -1.673 64 HB3 GLU 6 2HB GLU 6 -11.333 15.942 -3.047 65 HG2 GLU 6 1HG GLU 6 -12.165 13.962 -2.285 66 HG3 GLU 6 2HG GLU 6 -12.051 14.450 -0.589 67 H GLU 7 H GLU 7 -8.483 16.524 -3.211 68 HA GLU 7 HA GLU 7 -8.074 14.096 -4.475 69 HE2 GLU 7 HE2 GLU 7 -7.753 15.080 -8.744 70 HB2 GLU 7 1HB GLU 7 -6.171 16.435 -4.209 71 HB3 GLU 7 2HB GLU 7 -5.984 15.107 -5.365 72 HG2 GLU 7 1HG GLU 7 -8.615 16.204 -5.615 73 HG3 GLU 7 2HG GLU 7 -7.416 17.504 -5.692 74 H ALA 8 H ALA 8 -6.187 15.578 -1.860 75 HA ALA 8 HA ALA 8 -4.185 13.639 -1.671 76 HB1 ALA 8 3HB ALA 8 -5.265 15.738 0.108 77 HB2 ALA 8 1HB ALA 8 -4.322 14.458 0.871 78 HB3 ALA 8 2HB ALA 8 -3.610 15.432 -0.415 79 H ALA 9 H ALA 9 -7.480 13.632 -0.554 80 HA ALA 9 HA ALA 9 -7.185 11.467 1.290 81 HB1 ALA 9 3HB ALA 9 -9.861 11.582 0.445 82 HB2 ALA 9 1HB ALA 9 -9.161 12.256 1.917 83 HB3 ALA 9 2HB ALA 9 -9.272 13.244 0.459 84 H LYS 10 H LYS 10 -8.276 11.756 -2.067 85 HA LYS 10 HA LYS 10 -9.114 9.122 -2.458 86 HB2 LYS 10 1HB LYS 10 -7.764 10.848 -4.542 87 HB3 LYS 10 2HB LYS 10 -8.944 9.555 -4.809 88 HG2 LYS 10 1HG LYS 10 -10.349 11.227 -3.179 89 HG3 LYS 10 2HG LYS 10 -9.361 12.366 -4.111 90 HD2 LYS 10 1HD LYS 10 -11.353 12.102 -5.354 91 HD3 LYS 10 2HD LYS 10 -10.130 11.126 -6.188 92 HE2 LYS 10 1HE LYS 10 -11.014 9.101 -5.388 93 HE3 LYS 10 2HE LYS 10 -11.941 9.919 -4.121 94 HZ1 LYS 10 3HZ LYS 10 -12.581 10.654 -6.864 95 HZ2 LYS 10 1HZ LYS 10 -13.603 10.434 -5.534 96 HZ3 LYS 10 2HZ LYS 10 -13.023 9.093 -6.385 97 H LEU 11 H LEU 11 -5.912 10.539 -2.483 98 HA LEU 11 HA LEU 11 -4.441 8.595 -3.776 99 HG LEU 11 HG LEU 11 -4.274 11.734 -2.971 100 HB2 LEU 11 1HB LEU 11 -3.629 10.107 -1.287 101 HB3 LEU 11 2HB LEU 11 -2.540 9.321 -2.443 102 HD11 LEU 11 1HD1 LEU 11 -2.401 12.352 -1.644 103 HD12 LEU 11 2HD1 LEU 11 -2.038 12.816 -3.307 104 HD13 LEU 11 3HD1 LEU 11 -1.307 11.367 -2.616 105 HD21 LEU 11 3HD2 LEU 11 -2.978 11.776 -5.134 106 HD22 LEU 11 1HD2 LEU 11 -4.189 10.501 -4.992 107 HD23 LEU 11 2HD2 LEU 11 -2.480 10.122 -4.773 108 H PHE 12 H PHE 12 -5.502 8.669 -0.397 109 HA PHE 12 HA PHE 12 -4.222 6.206 0.286 110 HD1 PHE 12 HD1 PHE 12 -2.810 6.772 1.647 111 HD2 PHE 12 HD2 PHE 12 -5.720 9.573 2.990 112 HE1 PHE 12 HE1 PHE 12 -1.018 8.190 2.560 113 HE2 PHE 12 HE2 PHE 12 -3.934 10.995 3.905 114 HZ PHE 12 HZ PHE 12 -1.579 10.306 3.690 115 HB2 PHE 12 1HB PHE 12 -6.403 7.785 1.673 116 HB3 PHE 12 2HB PHE 12 -5.607 6.369 2.363 117 H GLU 13 H GLU 13 -7.277 7.100 -1.079 118 HA GLU 13 HA GLU 13 -8.810 4.852 -0.431 119 HE2 GLU 13 HE2 GLU 13 -12.818 7.572 -3.480 120 HB2 GLU 13 1HB GLU 13 -9.176 7.153 -1.922 121 HB3 GLU 13 2HB GLU 13 -9.287 5.862 -3.129 122 HG2 GLU 13 1HG GLU 13 -10.912 4.747 -1.447 123 HG3 GLU 13 2HG GLU 13 -11.023 6.371 -0.754 124 H GLU 14 H GLU 14 -6.411 5.371 -2.942 125 HA GLU 14 HA GLU 14 -6.963 2.931 -4.333 126 HE2 GLU 14 HE2 GLU 14 -4.446 5.172 -8.459 127 HB2 GLU 14 1HB GLU 14 -4.436 4.591 -4.421 128 HB3 GLU 14 2HB GLU 14 -4.995 3.427 -5.634 129 HG2 GLU 14 1HG GLU 14 -7.113 5.147 -5.502 130 HG3 GLU 14 2HG GLU 14 -5.735 6.225 -5.231 131 H TRP 15 H TRP 15 -4.893 3.890 -1.697 132 HA TRP 15 HA TRP 15 -3.102 1.728 -1.718 133 HD1 TRP 15 HD1 TRP 15 -2.910 4.523 -2.346 134 HE1 TRP 15 HE1 TRP 15 -0.721 5.879 -2.367 135 HE3 TRP 15 HE3 TRP 15 -1.036 3.112 2.196 136 HZ2 TRP 15 HZ2 TRP 15 1.505 6.295 -0.681 137 HZ3 TRP 15 HZ3 TRP 15 1.128 4.034 2.918 138 HH2 TRP 15 HH2 TRP 15 2.371 5.591 1.507 139 HB2 TRP 15 1HB TRP 15 -4.101 3.527 0.495 140 HB3 TRP 15 2HB TRP 15 -2.899 2.266 0.779 141 H LYS 16 H LYS 16 -6.130 2.181 0.097 142 HA LYS 16 HA LYS 16 -6.076 -0.471 1.178 143 HB2 LYS 16 1HB LYS 16 -8.288 0.042 2.060 144 HB3 LYS 16 2HB LYS 16 -7.179 1.392 2.348 145 HG2 LYS 16 1HG LYS 16 -8.679 2.745 1.437 146 HG3 LYS 16 2HG LYS 16 -8.379 1.941 -0.113 147 HD2 LYS 16 1HD LYS 16 -10.558 1.402 -0.057 148 HD3 LYS 16 2HD LYS 16 -10.067 0.178 1.127 149 HE2 LYS 16 1HE LYS 16 -11.374 1.155 2.643 150 HE3 LYS 16 2HE LYS 16 -10.338 2.587 2.553 151 HZ1 LYS 16 3HZ LYS 16 -12.043 2.623 0.339 152 HZ2 LYS 16 1HZ LYS 16 -12.010 3.692 1.650 153 HZ3 LYS 16 2HZ LYS 16 -12.992 2.317 1.705 154 H LYS 17 H LYS 17 -7.277 0.988 -1.714 155 HA LYS 17 HA LYS 17 -9.192 -1.029 -2.362 156 HB2 LYS 17 1HB LYS 17 -7.999 1.334 -3.694 157 HB3 LYS 17 2HB LYS 17 -8.602 0.059 -4.765 158 HG2 LYS 17 1HG LYS 17 -10.308 1.156 -2.551 159 HG3 LYS 17 2HG LYS 17 -10.191 1.966 -4.124 160 HD2 LYS 17 1HD LYS 17 -10.749 -0.342 -5.133 161 HD3 LYS 17 2HD LYS 17 -11.275 -0.760 -3.492 162 HE2 LYS 17 1HE LYS 17 -13.254 -0.011 -4.427 163 HE3 LYS 17 2HE LYS 17 -12.636 1.455 -3.651 164 HZ1 LYS 17 3HZ LYS 17 -12.260 2.451 -5.619 165 HZ2 LYS 17 1HZ LYS 17 -13.428 1.365 -6.182 166 HZ3 LYS 17 2HZ LYS 17 -11.785 1.025 -6.395 167 H LEU 18 H LEU 18 -5.971 -0.277 -3.704 168 HA LEU 18 HA LEU 18 -5.733 -2.484 -5.367 169 HG LEU 18 HG LEU 18 -4.982 -0.033 -6.060 170 HB2 LEU 18 1HB LEU 18 -3.700 -0.822 -3.900 171 HB3 LEU 18 2HB LEU 18 -3.221 -2.170 -4.947 172 HD11 LEU 18 1HD1 LEU 18 -3.251 1.243 -4.975 173 HD12 LEU 18 2HD1 LEU 18 -2.966 1.236 -6.715 174 HD13 LEU 18 3HD1 LEU 18 -2.003 0.201 -5.661 175 HD21 LEU 18 3HD2 LEU 18 -4.585 -1.913 -7.468 176 HD22 LEU 18 1HD2 LEU 18 -2.852 -1.867 -7.142 177 HD23 LEU 18 2HD2 LEU 18 -3.606 -0.580 -8.084 178 H ALA 19 H ALA 19 -4.995 -2.164 -1.932 179 HA ALA 19 HA ALA 19 -3.688 -4.593 -1.525 180 HB1 ALA 19 3HB ALA 19 -4.988 -4.272 0.822 181 HB2 ALA 19 1HB ALA 19 -3.522 -3.400 0.376 182 HB3 ALA 19 2HB ALA 19 -5.100 -2.640 0.163 183 H GLU 20 H GLU 20 -7.013 -3.925 -2.153 184 HA GLU 20 HA GLU 20 -8.083 -6.330 -1.043 185 HE2 GLU 20 HE2 GLU 20 -11.725 -4.243 1.059 186 HB2 GLU 20 1HB GLU 20 -9.306 -4.655 -3.241 187 HB3 GLU 20 2HB GLU 20 -10.139 -5.715 -2.093 188 HG2 GLU 20 1HG GLU 20 -8.718 -3.850 -0.540 189 HG3 GLU 20 2HG GLU 20 -9.485 -2.941 -1.850 190 H GLU 21 H GLU 21 -7.300 -5.291 -4.356 191 HA GLU 21 HA GLU 21 -7.932 -7.829 -5.505 192 HE2 GLU 21 HE2 GLU 21 -10.880 -6.391 -8.627 193 HB2 GLU 21 1HB GLU 21 -6.237 -5.616 -6.680 194 HB3 GLU 21 2HB GLU 21 -7.042 -6.922 -7.562 195 HG2 GLU 21 1HG GLU 21 -8.944 -5.444 -5.974 196 HG3 GLU 21 2HG GLU 21 -8.030 -4.370 -7.044 197 H ALA 22 H ALA 22 -4.875 -6.143 -4.819 198 HA ALA 22 HA ALA 22 -3.113 -8.087 -5.721 199 HB1 ALA 22 3HB ALA 22 -1.552 -7.105 -3.945 200 HB2 ALA 22 1HB ALA 22 -2.180 -6.015 -5.182 201 HB3 ALA 22 2HB ALA 22 -2.884 -6.014 -3.566 202 H ALA 23 H ALA 23 -4.974 -7.948 -2.772 203 HA ALA 23 HA ALA 23 -3.538 -9.967 -1.367 204 HB1 ALA 23 3HB ALA 23 -5.854 -10.061 -0.112 205 HB2 ALA 23 1HB ALA 23 -4.757 -8.695 0.088 206 HB3 ALA 23 2HB ALA 23 -6.137 -8.566 -1.004 207 H LYS 24 H LYS 24 -6.679 -10.012 -3.059 208 HA LYS 24 HA LYS 24 -7.095 -12.785 -2.800 209 HB2 LYS 24 1HB LYS 24 -8.757 -12.489 -4.631 210 HB3 LYS 24 2HB LYS 24 -8.945 -11.328 -3.307 211 HG2 LYS 24 1HG LYS 24 -7.808 -9.612 -4.625 212 HG3 LYS 24 2HG LYS 24 -7.608 -10.773 -5.950 213 HD2 LYS 24 1HD LYS 24 -9.513 -9.746 -6.673 214 HD3 LYS 24 2HD LYS 24 -10.239 -10.999 -5.650 215 HE2 LYS 24 1HE LYS 24 -9.960 -9.168 -3.765 216 HE3 LYS 24 2HE LYS 24 -9.951 -8.073 -5.156 217 HZ1 LYS 24 3HZ LYS 24 -12.077 -10.093 -4.723 218 HZ2 LYS 24 1HZ LYS 24 -12.091 -8.789 -5.801 219 HZ3 LYS 24 2HZ LYS 24 -12.180 -8.510 -4.135 220 H LEU 25 H LEU 25 -5.410 -10.858 -5.197 221 HA LEU 25 HA LEU 25 -5.069 -13.019 -7.052 222 HG LEU 25 HG LEU 25 -6.008 -10.903 -8.505 223 HB2 LEU 25 1HB LEU 25 -4.348 -10.184 -6.875 224 HB3 LEU 25 2HB LEU 25 -3.123 -11.188 -7.670 225 HD11 LEU 25 1HD1 LEU 25 -4.367 -8.992 -8.920 226 HD12 LEU 25 2HD1 LEU 25 -5.250 -9.623 -10.309 227 HD13 LEU 25 3HD1 LEU 25 -3.568 -10.086 -10.048 228 HD21 LEU 25 3HD2 LEU 25 -4.260 -12.136 -10.428 229 HD22 LEU 25 1HD2 LEU 25 -5.785 -12.720 -9.761 230 HD23 LEU 25 2HD2 LEU 25 -4.269 -13.053 -8.922 231 H LEU 26 H LEU 26 -3.125 -11.524 -4.518 232 HA LEU 26 HA LEU 26 -0.663 -12.666 -4.974 233 HG LEU 26 HG LEU 26 -0.378 -10.336 -3.944 234 HB2 LEU 26 1HB LEU 26 -2.117 -11.642 -2.630 235 HB3 LEU 26 2HB LEU 26 -0.821 -12.792 -2.260 236 HD11 LEU 26 1HD1 LEU 26 -1.241 -9.990 -1.507 237 HD12 LEU 26 2HD1 LEU 26 0.144 -9.071 -2.097 238 HD13 LEU 26 3HD1 LEU 26 0.395 -10.480 -1.066 239 HD21 LEU 26 3HD2 LEU 26 1.922 -10.727 -3.552 240 HD22 LEU 26 1HD2 LEU 26 1.232 -12.281 -4.017 241 HD23 LEU 26 2HD2 LEU 26 1.582 -11.944 -2.321 242 H GLU 27 H GLU 27 -3.317 -14.042 -3.035 243 HA GLU 27 HA GLU 27 -1.941 -16.546 -2.707 244 HE2 GLU 27 HE2 GLU 27 -5.901 -16.444 1.250 245 HB2 GLU 27 1HB GLU 27 -4.404 -15.293 -1.720 246 HB3 GLU 27 2HB GLU 27 -4.555 -17.033 -2.012 247 HG2 GLU 27 1HG GLU 27 -2.731 -17.514 -0.527 248 HG3 GLU 27 2HG GLU 27 -2.392 -15.788 -0.333 249 H GLY 28 H GLY 28 -3.774 -15.160 -5.166 250 HA2 GLY 28 1HA GLY 28 -4.563 -15.993 -7.154 251 HA3 GLY 28 2HA GLY 28 -3.656 -17.457 -6.803 252 H GLY 29 H GLY 29 -5.983 -16.442 -4.475 253 HA2 GLY 29 1HA GLY 29 -7.984 -17.344 -3.803 254 HA3 GLY 29 2HA GLY 29 -8.302 -17.643 -5.505 255 H GLY 30 H GLY 30 -5.461 -19.065 -4.191 256 HA2 GLY 30 1HA GLY 30 -5.894 -21.297 -2.924 257 HA3 GLY 30 2HA GLY 30 -6.739 -21.701 -4.411 258 H GLY 31 H GLY 31 -3.618 -20.154 -3.620 259 HA2 GLY 31 1HA GLY 31 -2.188 -22.323 -4.912 260 HA3 GLY 31 2HA GLY 31 -2.122 -20.784 -5.759 261 H GLY 32 H GLY 32 0.241 -21.694 -5.088 262 HA2 GLY 32 1HA GLY 32 2.155 -21.287 -3.884 263 HA3 GLY 32 2HA GLY 32 1.423 -19.725 -3.552 264 H GLY 33 H GLY 33 2.354 -19.679 -1.471 265 HA2 GLY 33 1HA GLY 33 2.045 -21.727 0.446 266 HA3 GLY 33 2HA GLY 33 2.415 -20.044 0.795 267 H GLY 34 H GLY 34 0.425 -18.545 0.473 268 HA2 GLY 34 1HA GLY 34 -1.690 -17.945 1.138 269 HA3 GLY 34 2HA GLY 34 -2.172 -19.608 0.842 270 H GLY 35 H GLY 35 -2.943 -17.775 3.009 271 HA2 GLY 35 1HA GLY 35 -3.570 -19.019 5.124 272 HA3 GLY 35 2HA GLY 35 -1.840 -19.261 5.311 273 H GLU 36 H GLU 36 -1.972 -18.204 7.355 274 HA GLU 36 HA GLU 36 -2.936 -15.577 7.695 275 HE2 GLU 36 HE2 GLU 36 -1.989 -15.984 13.202 276 HB2 GLU 36 1HB GLU 36 -2.663 -16.950 9.626 277 HB3 GLU 36 2HB GLU 36 -0.951 -17.218 9.265 278 HG2 GLU 36 1HG GLU 36 -0.455 -14.881 9.722 279 HG3 GLU 36 2HG GLU 36 -2.169 -14.577 10.039 280 H LEU 37 H LEU 37 0.104 -16.850 6.567 281 HA LEU 37 HA LEU 37 1.816 -14.719 6.944 282 HG LEU 37 HG LEU 37 0.670 -16.465 3.902 283 HB2 LEU 37 1HB LEU 37 3.176 -15.620 5.267 284 HB3 LEU 37 2HB LEU 37 2.297 -17.003 5.943 285 HD11 LEU 37 1HD1 LEU 37 2.532 -16.064 2.009 286 HD12 LEU 37 2HD1 LEU 37 3.192 -15.062 3.301 287 HD13 LEU 37 3HD1 LEU 37 1.557 -14.771 2.709 288 HD21 LEU 37 3HD2 LEU 37 2.577 -17.964 2.627 289 HD22 LEU 37 1HD2 LEU 37 1.343 -18.589 3.721 290 HD23 LEU 37 2HD2 LEU 37 2.958 -18.226 4.330 291 H MET 38 H MET 38 -0.705 -15.133 4.533 292 HA MET 38 HA MET 38 0.029 -12.858 2.971 293 HB2 MET 38 1HB MET 38 -1.256 -14.697 2.007 294 HB3 MET 38 2HB MET 38 -2.584 -14.370 3.130 295 HG2 MET 38 1HG MET 38 -2.213 -11.928 1.916 296 HG3 MET 38 2HG MET 38 -1.905 -13.079 0.613 297 HE1 MET 38 3HE MET 38 -5.238 -13.726 3.410 298 HE2 MET 38 1HE MET 38 -3.920 -12.578 3.643 299 HE3 MET 38 2HE MET 38 -5.459 -12.030 2.982 300 H LYS 39 H LYS 39 -2.132 -13.429 5.679 301 HA LYS 39 HA LYS 39 -3.643 -11.108 5.642 302 HB2 LYS 39 1HB LYS 39 -3.778 -13.144 7.214 303 HB3 LYS 39 2HB LYS 39 -2.581 -12.289 8.198 304 HG2 LYS 39 1HG LYS 39 -4.343 -10.309 7.939 305 HG3 LYS 39 2HG LYS 39 -5.443 -11.686 7.745 306 HD2 LYS 39 1HD LYS 39 -4.372 -12.636 9.868 307 HD3 LYS 39 2HD LYS 39 -3.686 -11.018 10.092 308 HE2 LYS 39 1HE LYS 39 -5.920 -10.035 10.100 309 HE3 LYS 39 2HE LYS 39 -6.627 -11.629 9.799 310 HZ1 LYS 39 3HZ LYS 39 -6.136 -10.500 12.247 311 HZ2 LYS 39 1HZ LYS 39 -4.919 -11.664 12.078 312 HZ3 LYS 39 2HZ LYS 39 -6.543 -12.115 11.949 313 H LEU 40 H LEU 40 -0.319 -11.586 6.585 314 HA LEU 40 HA LEU 40 0.165 -9.321 8.101 315 HG LEU 40 HG LEU 40 2.978 -11.719 8.099 316 HB2 LEU 40 1HB LEU 40 1.820 -10.990 6.259 317 HB3 LEU 40 2HB LEU 40 2.488 -9.466 6.870 318 HD11 LEU 40 1HD1 LEU 40 3.833 -9.668 8.922 319 HD12 LEU 40 2HD1 LEU 40 3.017 -10.454 10.272 320 HD13 LEU 40 3HD1 LEU 40 2.232 -9.122 9.423 321 HD21 LEU 40 3HD2 LEU 40 0.578 -12.322 8.292 322 HD22 LEU 40 1HD2 LEU 40 0.356 -10.942 9.368 323 HD23 LEU 40 2HD2 LEU 40 1.418 -12.268 9.843 324 H CYS 41 H CYS 41 0.645 -9.648 4.579 325 HA CYS 41 HA CYS 41 1.160 -6.913 4.139 326 HG CYS 41 HG CYS 41 2.067 -10.418 2.082 327 HB2 CYS 41 1HB CYS 41 0.012 -8.872 2.149 328 HB3 CYS 41 2HB CYS 41 0.945 -7.410 1.791 329 H GLU 42 H GLU 42 -1.802 -8.798 4.179 330 HA GLU 42 HA GLU 42 -3.546 -7.009 2.964 331 HE2 GLU 42 HE2 GLU 42 -7.625 -10.564 5.223 332 HB2 GLU 42 1HB GLU 42 -4.226 -9.267 3.516 333 HB3 GLU 42 2HB GLU 42 -4.049 -8.928 5.244 334 HG2 GLU 42 1HG GLU 42 -5.932 -7.526 5.289 335 HG3 GLU 42 2HG GLU 42 -5.970 -7.398 3.525 336 H GLU 43 H GLU 43 -2.047 -6.891 6.085 337 HA GLU 43 HA GLU 43 -3.775 -5.228 7.485 338 HE2 GLU 43 HE2 GLU 43 -3.732 -6.116 11.205 339 HB2 GLU 43 1HB GLU 43 -0.748 -5.199 7.565 340 HB3 GLU 43 2HB GLU 43 -1.833 -4.571 8.815 341 HG2 GLU 43 1HG GLU 43 -2.342 -7.367 8.125 342 HG3 GLU 43 2HG GLU 43 -0.725 -7.066 8.780 343 H ALA 44 H ALA 44 -1.657 -4.518 4.839 344 HA ALA 44 HA ALA 44 -1.224 -1.801 5.111 345 HB1 ALA 44 3HB ALA 44 -1.465 -3.629 2.776 346 HB2 ALA 44 1HB ALA 44 -1.423 -1.889 2.487 347 HB3 ALA 44 2HB ALA 44 -0.088 -2.676 3.329 348 H ALA 45 H ALA 45 -4.028 -3.453 3.691 349 HA ALA 45 HA ALA 45 -5.399 -1.014 3.075 350 HB1 ALA 45 3HB ALA 45 -6.435 -2.452 1.734 351 HB2 ALA 45 1HB ALA 45 -5.795 -3.834 2.623 352 HB3 ALA 45 2HB ALA 45 -7.290 -3.060 3.151 353 H LYS 46 H LYS 46 -5.120 -3.037 5.853 354 HA LYS 46 HA LYS 46 -7.552 -2.219 7.122 355 HB2 LYS 46 1HB LYS 46 -6.652 -4.317 7.784 356 HB3 LYS 46 2HB LYS 46 -5.066 -3.604 8.120 357 HG2 LYS 46 1HG LYS 46 -5.622 -3.082 10.210 358 HG3 LYS 46 2HG LYS 46 -7.162 -2.370 9.694 359 HD2 LYS 46 1HD LYS 46 -6.800 -5.354 9.783 360 HD3 LYS 46 2HD LYS 46 -7.210 -4.438 11.243 361 HE2 LYS 46 1HE LYS 46 -9.345 -4.191 10.618 362 HE3 LYS 46 2HE LYS 46 -8.872 -3.676 8.992 363 HZ1 LYS 46 3HZ LYS 46 -9.540 -5.632 8.241 364 HZ2 LYS 46 1HZ LYS 46 -9.908 -6.159 9.806 365 HZ3 LYS 46 2HZ LYS 46 -8.360 -6.406 9.173 366 H LYS 47 H LYS 47 -4.127 -1.356 7.532 367 HA LYS 47 HA LYS 47 -4.668 0.645 9.500 368 HB2 LYS 47 1HB LYS 47 -2.278 -0.284 7.972 369 HB3 LYS 47 2HB LYS 47 -2.217 1.320 8.721 370 HG2 LYS 47 1HG LYS 47 -2.245 0.495 10.856 371 HG3 LYS 47 2HG LYS 47 -3.106 -0.980 10.382 372 HD2 LYS 47 1HD LYS 47 -0.888 -1.457 9.030 373 HD3 LYS 47 2HD LYS 47 -0.196 -0.348 10.226 374 HE2 LYS 47 1HE LYS 47 -1.700 -1.989 11.817 375 HE3 LYS 47 2HE LYS 47 -1.166 -3.098 10.546 376 HZ1 LYS 47 3HZ LYS 47 0.495 -3.188 12.161 377 HZ2 LYS 47 1HZ LYS 47 0.500 -1.513 12.404 378 HZ3 LYS 47 2HZ LYS 47 1.140 -2.164 10.980 379 H ALA 48 H ALA 48 -3.706 0.776 6.073 380 HA ALA 48 HA ALA 48 -3.670 3.518 5.730 381 HB1 ALA 48 3HB ALA 48 -4.516 1.391 3.769 382 HB2 ALA 48 1HB ALA 48 -4.153 3.064 3.346 383 HB3 ALA 48 2HB ALA 48 -2.889 2.029 4.008 384 H GLU 49 H GLU 49 -6.394 1.374 6.041 385 HA GLU 49 HA GLU 49 -8.332 3.241 5.042 386 HE2 GLU 49 HE2 GLU 49 -11.998 0.928 8.743 387 HB2 GLU 49 1HB GLU 49 -8.782 0.869 4.882 388 HB3 GLU 49 2HB GLU 49 -8.637 0.694 6.638 389 HG2 GLU 49 1HG GLU 49 -10.591 2.681 6.169 390 HG3 GLU 49 2HG GLU 49 -10.937 1.327 5.082 391 H GLU 50 H GLU 50 -7.075 2.326 8.195 392 HA GLU 50 HA GLU 50 -8.997 3.835 9.683 393 HE2 GLU 50 HE2 GLU 50 -6.719 1.684 14.309 394 HB2 GLU 50 1HB GLU 50 -6.848 2.018 10.240 395 HB3 GLU 50 2HB GLU 50 -6.654 3.473 11.229 396 HG2 GLU 50 1HG GLU 50 -8.981 3.214 12.026 397 HG3 GLU 50 2HG GLU 50 -9.086 1.704 11.110 398 H LEU 51 H LEU 51 -5.543 4.319 8.952 399 HA LEU 51 HA LEU 51 -5.327 6.855 10.133 400 HG LEU 51 HG LEU 51 -4.331 4.760 7.268 401 HB2 LEU 51 1HB LEU 51 -3.287 7.113 8.795 402 HB3 LEU 51 2HB LEU 51 -3.382 5.531 9.588 403 HD11 LEU 51 1HD1 LEU 51 -3.083 7.405 6.695 404 HD12 LEU 51 2HD1 LEU 51 -4.526 6.664 6.002 405 HD13 LEU 51 3HD1 LEU 51 -2.926 6.100 5.519 406 HD21 LEU 51 3HD2 LEU 51 -1.632 4.936 6.646 407 HD22 LEU 51 1HD2 LEU 51 -2.430 3.632 7.525 408 HD23 LEU 51 2HD2 LEU 51 -1.680 4.961 8.409 409 H PHE 52 H PHE 52 -6.800 5.850 7.214 410 HA PHE 52 HA PHE 52 -6.532 8.032 5.543 411 HD1 PHE 52 HD1 PHE 52 -7.378 8.636 3.591 412 HD2 PHE 52 HD2 PHE 52 -10.905 6.634 4.880 413 HE1 PHE 52 HE1 PHE 52 -8.700 9.925 1.964 414 HE2 PHE 52 HE2 PHE 52 -12.233 7.918 3.254 415 HZ PHE 52 HZ PHE 52 -11.130 9.565 1.793 416 HB2 PHE 52 1HB PHE 52 -7.648 6.026 4.799 417 HB3 PHE 52 2HB PHE 52 -8.929 6.247 5.993 418 H LYS 53 H LYS 53 -8.234 7.784 8.529 419 HA LYS 53 HA LYS 53 -10.179 9.736 8.314 420 HB2 LYS 53 1HB LYS 53 -9.934 10.044 10.756 421 HB3 LYS 53 2HB LYS 53 -9.986 8.338 10.285 422 HG2 LYS 53 1HG LYS 53 -7.534 8.219 10.459 423 HG3 LYS 53 2HG LYS 53 -7.516 9.910 10.990 424 HD2 LYS 53 1HD LYS 53 -7.373 8.400 12.905 425 HD3 LYS 53 2HD LYS 53 -8.887 9.322 12.932 426 HE2 LYS 53 1HE LYS 53 -9.310 6.907 11.449 427 HE3 LYS 53 2HE LYS 53 -8.542 6.513 12.995 428 HZ1 LYS 53 3HZ LYS 53 -11.209 7.120 12.545 429 HZ2 LYS 53 1HZ LYS 53 -10.573 8.429 13.409 430 HZ3 LYS 53 2HZ LYS 53 -10.450 6.862 14.035 431 H LEU 54 H LEU 54 -6.724 10.106 8.951 432 HA LEU 54 HA LEU 54 -6.654 12.805 9.596 433 HG LEU 54 HG LEU 54 -4.117 13.776 9.382 434 HB2 LEU 54 1HB LEU 54 -4.801 10.832 9.247 435 HB3 LEU 54 2HB LEU 54 -4.471 11.887 7.862 436 HD11 LEU 54 1HD1 LEU 54 -5.525 13.276 11.214 437 HD12 LEU 54 2HD1 LEU 54 -3.875 13.233 11.832 438 HD13 LEU 54 3HD1 LEU 54 -4.730 11.728 11.497 439 HD21 LEU 54 3HD2 LEU 54 -2.452 11.473 10.349 440 HD22 LEU 54 1HD2 LEU 54 -1.976 13.152 10.097 441 HD23 LEU 54 2HD2 LEU 54 -2.299 12.110 8.711 442 H ALA 55 H ALA 55 -7.317 11.285 6.584 443 HA ALA 55 HA ALA 55 -6.587 13.404 4.848 444 HB1 ALA 55 3HB ALA 55 -7.263 10.868 4.412 445 HB2 ALA 55 1HB ALA 55 -8.828 11.618 4.093 446 HB3 ALA 55 2HB ALA 55 -7.408 12.111 3.170 447 H GLU 56 H GLU 56 -9.313 12.845 6.903 448 HA GLU 56 HA GLU 56 -11.092 14.652 5.565 449 HE2 GLU 56 HE2 GLU 56 -14.678 11.298 5.989 450 HB2 GLU 56 1HB GLU 56 -11.342 13.847 8.453 451 HB3 GLU 56 2HB GLU 56 -12.622 14.204 7.283 452 HG2 GLU 56 1HG GLU 56 -11.336 12.050 6.146 453 HG3 GLU 56 2HG GLU 56 -11.289 11.693 7.878 454 H GLU 57 H GLU 57 -8.626 14.913 7.991 455 HA GLU 57 HA GLU 57 -9.407 17.333 9.193 456 HE2 GLU 57 HE2 GLU 57 -7.439 16.463 13.573 457 HB2 GLU 57 1HB GLU 57 -6.610 16.250 8.773 458 HB3 GLU 57 2HB GLU 57 -7.074 17.512 9.926 459 HG2 GLU 57 1HG GLU 57 -8.527 14.948 10.151 460 HG3 GLU 57 2HG GLU 57 -6.811 14.929 10.581 461 H ARG 58 H ARG 58 -7.178 16.700 6.492 462 HA ARG 58 HA ARG 58 -6.804 19.503 5.967 463 HE ARG 58 HE ARG 58 -5.405 16.899 6.937 464 HB2 ARG 58 1HB ARG 58 -5.666 18.581 3.858 465 HB3 ARG 58 2HB ARG 58 -4.939 18.194 5.424 466 HG2 ARG 58 1HG ARG 58 -6.868 16.182 4.691 467 HG3 ARG 58 2HG ARG 58 -5.666 16.410 3.409 468 HD2 ARG 58 1HD ARG 58 -5.142 14.697 5.256 469 HD3 ARG 58 2HD ARG 58 -3.883 15.857 4.808 470 HH11 ARG 58 1HH1 ARG 58 -3.052 14.429 6.244 471 HH12 ARG 58 2HH1 ARG 58 -2.395 14.421 7.847 472 HH21 ARG 58 1HH2 ARG 58 -4.549 16.898 9.052 473 HH22 ARG 58 2HH2 ARG 58 -3.248 15.825 9.444 474 H LEU 59 H LEU 59 -9.081 17.119 5.067 475 HA LEU 59 HA LEU 59 -9.893 18.470 2.629 476 HG LEU 59 HG LEU 59 -12.857 16.924 2.877 477 HB2 LEU 59 1HB LEU 59 -9.969 16.071 2.617 478 HB3 LEU 59 2HB LEU 59 -10.965 16.059 4.083 479 HD11 LEU 59 1HD1 LEU 59 -12.234 18.406 1.280 480 HD12 LEU 59 2HD1 LEU 59 -12.425 16.987 0.250 481 HD13 LEU 59 3HD1 LEU 59 -10.820 17.469 0.799 482 HD21 LEU 59 3HD2 LEU 59 -11.503 14.678 1.389 483 HD22 LEU 59 1HD2 LEU 59 -13.210 15.100 1.254 484 HD23 LEU 59 2HD2 LEU 59 -12.563 14.527 2.792 485 H LYS 60 H LYS 60 -11.944 17.266 5.262 486 HA LYS 60 HA LYS 60 -13.495 19.751 5.093 487 HB2 LYS 60 1HB LYS 60 -15.209 18.426 6.403 488 HB3 LYS 60 2HB LYS 60 -14.876 17.850 4.762 489 HG2 LYS 60 1HG LYS 60 -13.112 16.552 6.625 490 HG3 LYS 60 2HG LYS 60 -14.799 16.379 7.143 491 HD2 LYS 60 1HD LYS 60 -14.401 15.971 4.265 492 HD3 LYS 60 2HD LYS 60 -13.547 14.803 5.288 493 HE2 LYS 60 1HE LYS 60 -15.441 13.745 5.831 494 HE3 LYS 60 2HE LYS 60 -16.242 15.270 6.235 495 HZ1 LYS 60 3HZ LYS 60 -16.506 13.672 3.898 496 HZ2 LYS 60 1HZ LYS 60 -16.075 15.258 3.494 497 HZ3 LYS 60 2HZ LYS 60 -17.459 14.968 4.423 498 H LYS 61 H LYS 61 -14.717 19.976 7.431 499 HA LYS 61 HA LYS 61 -12.547 20.151 9.418 500 HB2 LYS 61 1HB LYS 61 -13.785 22.162 10.309 501 HB3 LYS 61 2HB LYS 61 -13.027 22.376 8.722 502 HG2 LYS 61 1HG LYS 61 -15.711 21.425 8.375 503 HG3 LYS 61 2HG LYS 61 -15.701 22.846 9.434 504 HD2 LYS 61 1HD LYS 61 -14.042 22.924 6.954 505 HD3 LYS 61 2HD LYS 61 -15.801 23.087 6.803 506 HE2 LYS 61 1HE LYS 61 -15.665 25.229 7.398 507 HE3 LYS 61 2HE LYS 61 -14.966 24.743 8.949 508 HZ1 LYS 61 3HZ LYS 61 -13.036 25.589 8.322 509 HZ2 LYS 61 1HZ LYS 61 -13.714 26.089 6.854 510 HZ3 LYS 61 2HZ LYS 61 -12.979 24.570 6.973 511 H LEU 62 H LEU 62 -13.472 17.930 9.887 512 HA LEU 62 HA LEU 62 -16.026 17.573 10.978 513 HG LEU 62 HG LEU 62 -14.034 15.810 9.216 514 HB2 LEU 62 1HB LEU 62 -13.452 16.092 11.544 515 HB3 LEU 62 2HB LEU 62 -15.065 15.551 12.038 516 HD11 LEU 62 1HD1 LEU 62 -13.402 13.701 9.447 517 HD12 LEU 62 2HD1 LEU 62 -15.057 13.246 9.853 518 HD13 LEU 62 3HD1 LEU 62 -13.933 13.714 11.129 519 HD21 LEU 62 3HD2 LEU 62 -16.767 15.033 10.228 520 HD22 LEU 62 1HD2 LEU 62 -16.211 14.847 8.565 521 HD23 LEU 62 2HD2 LEU 62 -16.362 16.457 9.269 522 HA MET 1 HA MET 1 11.105 -24.260 -12.593 523 H1 MET 1 1H MET 1 12.986 -23.649 -13.758 524 HB2 MET 1 1HB MET 1 12.952 -23.743 -10.251 525 HB3 MET 1 2HB MET 1 11.569 -24.846 -10.288 526 HG2 MET 1 1HG MET 1 12.957 -26.478 -10.851 527 HG3 MET 1 2HG MET 1 13.181 -25.663 -12.400 528 HE1 MET 1 3HE MET 1 16.654 -25.796 -12.566 529 HE2 MET 1 1HE MET 1 16.174 -27.212 -11.632 530 HE3 MET 1 2HE MET 1 15.116 -26.592 -12.899 531 H LYS 2 H LYS 2 10.713 -21.715 -13.325 532 HA LYS 2 HA LYS 2 8.893 -20.749 -11.397 533 HB2 LYS 2 1HB LYS 2 9.933 -18.994 -10.386 534 HB3 LYS 2 2HB LYS 2 11.343 -20.038 -10.624 535 HG2 LYS 2 1HG LYS 2 12.204 -18.104 -11.442 536 HG3 LYS 2 2HG LYS 2 11.462 -18.730 -12.925 537 HD2 LYS 2 1HD LYS 2 9.375 -17.379 -11.745 538 HD3 LYS 2 2HD LYS 2 10.776 -16.375 -11.337 539 HE2 LYS 2 1HE LYS 2 11.351 -16.051 -13.611 540 HE3 LYS 2 2HE LYS 2 10.275 -17.354 -14.135 541 HZ1 LYS 2 3HZ LYS 2 9.648 -14.595 -13.460 542 HZ2 LYS 2 1HZ LYS 2 8.520 -15.755 -12.965 543 HZ3 LYS 2 2HZ LYS 2 8.934 -15.622 -14.599 544 H LYS 3 H LYS 3 7.587 -19.074 -12.194 545 HA LYS 3 HA LYS 3 8.170 -17.594 -14.533 546 HB2 LYS 3 1HB LYS 3 6.964 -20.248 -14.872 547 HB3 LYS 3 2HB LYS 3 6.046 -18.944 -15.642 548 HG2 LYS 3 1HG LYS 3 8.463 -18.270 -16.526 549 HG3 LYS 3 2HG LYS 3 8.734 -20.006 -16.286 550 HD2 LYS 3 1HD LYS 3 6.602 -20.395 -17.615 551 HD3 LYS 3 2HD LYS 3 6.684 -18.677 -18.045 552 HE2 LYS 3 1HE LYS 3 7.762 -19.705 -19.837 553 HE3 LYS 3 2HE LYS 3 9.099 -19.205 -18.790 554 HZ1 LYS 3 3HZ LYS 3 8.462 -21.786 -19.673 555 HZ2 LYS 3 1HZ LYS 3 8.289 -21.758 -17.990 556 HZ3 LYS 3 2HZ LYS 3 9.756 -21.302 -18.697 557 H LEU 4 H LEU 4 5.468 -19.139 -12.802 558 HA LEU 4 HA LEU 4 3.906 -16.686 -13.054 559 HG LEU 4 HG LEU 4 1.420 -19.321 -13.800 560 HB2 LEU 4 1HB LEU 4 3.286 -19.500 -12.208 561 HB3 LEU 4 2HB LEU 4 2.182 -18.169 -11.822 562 HD11 LEU 4 1HD1 LEU 4 2.626 -16.692 -14.634 563 HD12 LEU 4 2HD1 LEU 4 1.188 -16.841 -13.624 564 HD13 LEU 4 3HD1 LEU 4 1.173 -17.464 -15.274 565 HD21 LEU 4 3HD2 LEU 4 2.727 -20.017 -15.483 566 HD22 LEU 4 1HD2 LEU 4 4.052 -19.762 -14.347 567 HD23 LEU 4 2HD2 LEU 4 3.646 -18.512 -15.523 568 H ARG 5 H ARG 5 5.796 -18.430 -10.760 569 HA ARG 5 HA ARG 5 4.663 -17.436 -8.373 570 HE ARG 5 HE ARG 5 6.358 -21.256 -6.422 571 HB2 ARG 5 1HB ARG 5 7.552 -18.204 -8.829 572 HB3 ARG 5 2HB ARG 5 6.677 -18.190 -7.290 573 HG2 ARG 5 1HG ARG 5 5.346 -20.057 -7.911 574 HG3 ARG 5 2HG ARG 5 5.917 -19.972 -9.587 575 HD2 ARG 5 1HD ARG 5 7.525 -21.425 -9.060 576 HD3 ARG 5 2HD ARG 5 8.228 -20.175 -8.024 577 HH11 ARG 5 1HH1 ARG 5 8.870 -22.657 -8.383 578 HH12 ARG 5 2HH1 ARG 5 9.097 -24.025 -7.344 579 HH21 ARG 5 1HH2 ARG 5 6.648 -23.053 -5.047 580 HH22 ARG 5 2HH2 ARG 5 7.832 -24.250 -5.448 581 H GLU 6 H GLU 6 7.226 -16.232 -10.488 582 HA GLU 6 HA GLU 6 8.176 -14.154 -8.896 583 HE2 GLU 6 HE2 GLU 6 12.391 -14.382 -11.663 584 HB2 GLU 6 1HB GLU 6 9.016 -15.062 -11.181 585 HB3 GLU 6 2HB GLU 6 7.914 -13.862 -11.873 586 HG2 GLU 6 1HG GLU 6 9.171 -12.088 -11.206 587 HG3 GLU 6 2HG GLU 6 9.801 -12.937 -9.786 588 H GLU 7 H GLU 7 5.316 -14.358 -10.906 589 HA GLU 7 HA GLU 7 4.638 -11.684 -11.151 590 HE2 GLU 7 HE2 GLU 7 2.447 -11.415 -14.958 591 HB2 GLU 7 1HB GLU 7 2.818 -14.070 -10.752 592 HB3 GLU 7 2HB GLU 7 2.285 -12.473 -11.301 593 HG2 GLU 7 1HG GLU 7 4.454 -13.348 -12.948 594 HG3 GLU 7 2HG GLU 7 3.228 -14.619 -12.854 595 H ALA 8 H ALA 8 3.920 -13.924 -8.495 596 HA ALA 8 HA ALA 8 2.353 -12.212 -6.941 597 HB1 ALA 8 3HB ALA 8 3.924 -14.667 -6.447 598 HB2 ALA 8 1HB ALA 8 3.502 -13.696 -5.035 599 HB3 ALA 8 2HB ALA 8 2.233 -14.309 -6.097 600 H ALA 9 H ALA 9 5.790 -12.329 -7.429 601 HA ALA 9 HA ALA 9 6.500 -10.799 -5.120 602 HB1 ALA 9 3HB ALA 9 8.511 -10.507 -7.059 603 HB2 ALA 9 1HB ALA 9 8.485 -11.610 -5.683 604 HB3 ALA 9 2HB ALA 9 7.869 -12.138 -7.249 605 H LYS 10 H LYS 10 5.966 -10.056 -8.541 606 HA LYS 10 HA LYS 10 6.730 -7.363 -8.479 607 HB2 LYS 10 1HB LYS 10 4.534 -8.522 -10.203 608 HB3 LYS 10 2HB LYS 10 5.565 -7.125 -10.558 609 HG2 LYS 10 1HG LYS 10 7.425 -9.089 -10.220 610 HG3 LYS 10 2HG LYS 10 6.071 -9.982 -10.937 611 HD2 LYS 10 1HD LYS 10 7.368 -9.237 -12.765 612 HD3 LYS 10 2HD LYS 10 5.970 -8.148 -12.691 613 HE2 LYS 10 1HE LYS 10 7.232 -6.383 -11.788 614 HE3 LYS 10 2HE LYS 10 8.552 -7.465 -11.322 615 HZ1 LYS 10 3HZ LYS 10 7.933 -7.334 -14.164 616 HZ2 LYS 10 1HZ LYS 10 9.431 -7.441 -13.385 617 HZ3 LYS 10 2HZ LYS 10 8.634 -5.952 -13.485 618 H LEU 11 H LEU 11 3.752 -8.949 -7.552 619 HA LEU 11 HA LEU 11 1.975 -6.841 -7.497 620 HG LEU 11 HG LEU 11 1.963 -10.068 -7.640 621 HB2 LEU 11 1HB LEU 11 2.234 -9.052 -5.451 622 HB3 LEU 11 2HB LEU 11 0.801 -8.046 -5.726 623 HD11 LEU 11 1HD1 LEU 11 0.823 -11.179 -5.875 624 HD12 LEU 11 2HD1 LEU 11 -0.262 -11.160 -7.266 625 HD13 LEU 11 3HD1 LEU 11 -0.516 -10.033 -5.933 626 HD21 LEU 11 3HD2 LEU 11 -0.150 -9.570 -8.924 627 HD22 LEU 11 1HD2 LEU 11 1.088 -8.314 -8.965 628 HD23 LEU 11 2HD2 LEU 11 -0.321 -8.130 -7.919 629 H PHE 12 H PHE 12 4.357 -7.771 -5.043 630 HA PHE 12 HA PHE 12 3.622 -5.683 -3.233 631 HD1 PHE 12 HD1 PHE 12 2.893 -6.663 -1.609 632 HD2 PHE 12 HD2 PHE 12 5.904 -9.557 -2.434 633 HE1 PHE 12 HE1 PHE 12 1.566 -8.373 -0.438 634 HE2 PHE 12 HE2 PHE 12 4.581 -11.271 -1.266 635 HZ PHE 12 HZ PHE 12 2.409 -10.681 -0.266 636 HB2 PHE 12 1HB PHE 12 6.081 -7.445 -3.387 637 HB3 PHE 12 2HB PHE 12 5.754 -6.316 -2.070 638 H GLU 13 H GLU 13 5.758 -5.953 -5.944 639 HA GLU 13 HA GLU 13 7.554 -3.879 -5.401 640 HE2 GLU 13 HE2 GLU 13 9.719 -5.353 -10.490 641 HB2 GLU 13 1HB GLU 13 7.114 -5.641 -7.486 642 HB3 GLU 13 2HB GLU 13 6.782 -4.060 -8.212 643 HG2 GLU 13 1HG GLU 13 9.032 -3.355 -7.131 644 HG3 GLU 13 2HG GLU 13 9.325 -5.098 -7.043 645 H GLU 14 H GLU 14 4.290 -3.834 -6.697 646 HA GLU 14 HA GLU 14 4.348 -1.071 -7.443 647 HE2 GLU 14 HE2 GLU 14 0.193 -2.229 -10.567 648 HB2 GLU 14 1HB GLU 14 1.926 -2.806 -6.917 649 HB3 GLU 14 2HB GLU 14 1.988 -1.315 -7.871 650 HG2 GLU 14 1HG GLU 14 3.854 -2.860 -9.135 651 HG3 GLU 14 2HG GLU 14 2.655 -4.057 -8.625 652 H TRP 15 H TRP 15 3.536 -2.865 -4.566 653 HA TRP 15 HA TRP 15 2.036 -0.911 -3.219 654 HD1 TRP 15 HD1 TRP 15 1.446 -3.448 -4.462 655 HE1 TRP 15 HE1 TRP 15 -0.624 -4.883 -3.932 656 HE3 TRP 15 HE3 TRP 15 1.737 -3.438 0.643 657 HZ2 TRP 15 HZ2 TRP 15 -1.957 -5.878 -1.651 658 HZ3 TRP 15 HZ3 TRP 15 0.025 -4.654 1.924 659 HH2 TRP 15 HH2 TRP 15 -1.783 -5.849 0.798 660 HB2 TRP 15 1HB TRP 15 3.775 -3.179 -2.240 661 HB3 TRP 15 2HB TRP 15 2.885 -2.133 -1.133 662 H LYS 16 H LYS 16 5.519 -1.637 -3.071 663 HA LYS 16 HA LYS 16 6.082 0.603 -1.375 664 HB2 LYS 16 1HB LYS 16 8.423 0.015 -1.686 665 HB3 LYS 16 2HB LYS 16 7.464 -1.434 -1.346 666 HG2 LYS 16 1HG LYS 16 8.357 -2.381 -3.139 667 HG3 LYS 16 2HG LYS 16 7.477 -1.201 -4.128 668 HD2 LYS 16 1HD LYS 16 9.504 -0.560 -4.848 669 HD3 LYS 16 2HD LYS 16 9.629 0.262 -3.283 670 HE2 LYS 16 1HE LYS 16 11.396 -1.002 -2.789 671 HE3 LYS 16 2HE LYS 16 10.337 -2.420 -2.821 672 HZ1 LYS 16 3HZ LYS 16 10.948 -1.741 -5.463 673 HZ2 LYS 16 1HZ LYS 16 11.406 -3.128 -4.608 674 HZ3 LYS 16 2HZ LYS 16 12.399 -1.759 -4.596 675 H LYS 17 H LYS 17 5.856 0.079 -4.782 676 HA LYS 17 HA LYS 17 7.435 2.317 -5.593 677 HB2 LYS 17 1HB LYS 17 5.650 0.340 -6.892 678 HB3 LYS 17 2HB LYS 17 5.818 1.898 -7.717 679 HG2 LYS 17 1HG LYS 17 8.231 0.344 -6.833 680 HG3 LYS 17 2HG LYS 17 7.411 -0.002 -8.366 681 HD2 LYS 17 1HD LYS 17 7.631 2.529 -8.826 682 HD3 LYS 17 2HD LYS 17 8.825 2.506 -7.516 683 HE2 LYS 17 1HE LYS 17 10.171 2.180 -9.370 684 HE3 LYS 17 2HE LYS 17 9.854 0.519 -8.848 685 HZ1 LYS 17 3HZ LYS 17 8.619 0.085 -10.662 686 HZ2 LYS 17 1HZ LYS 17 9.502 1.358 -11.340 687 HZ3 LYS 17 2HZ LYS 17 7.948 1.636 -10.734 688 H LEU 18 H LEU 18 3.910 1.755 -5.588 689 HA LEU 18 HA LEU 18 3.120 4.312 -6.318 690 HG LEU 18 HG LEU 18 1.996 2.099 -7.264 691 HB2 LEU 18 1HB LEU 18 1.810 2.186 -4.639 692 HB3 LEU 18 2HB LEU 18 1.014 3.735 -4.969 693 HD11 LEU 18 1HD1 LEU 18 0.815 0.473 -5.930 694 HD12 LEU 18 2HD1 LEU 18 -0.172 0.926 -7.318 695 HD13 LEU 18 3HD1 LEU 18 -0.542 1.579 -5.722 696 HD21 LEU 18 3HD2 LEU 18 1.153 4.263 -7.795 697 HD22 LEU 18 1HD2 LEU 18 -0.274 4.021 -6.787 698 HD23 LEU 18 2HD2 LEU 18 -0.076 3.090 -8.273 699 H ALA 19 H ALA 19 3.895 3.021 -3.126 700 HA ALA 19 HA ALA 19 3.040 5.162 -1.558 701 HB1 ALA 19 3HB ALA 19 5.189 4.292 -0.169 702 HB2 ALA 19 1HB ALA 19 3.618 3.487 -0.171 703 HB3 ALA 19 2HB ALA 19 4.906 2.913 -1.231 704 H GLU 20 H GLU 20 5.745 4.888 -3.685 705 HA GLU 20 HA GLU 20 7.326 6.964 -2.527 706 HE2 GLU 20 HE2 GLU 20 11.378 4.615 -2.784 707 HB2 GLU 20 1HB GLU 20 7.409 6.015 -5.394 708 HB3 GLU 20 2HB GLU 20 8.710 6.779 -4.466 709 HG2 GLU 20 1HG GLU 20 7.962 4.483 -3.021 710 HG3 GLU 20 2HG GLU 20 8.056 4.007 -4.722 711 H GLU 21 H GLU 21 5.169 6.810 -5.351 712 HA GLU 21 HA GLU 21 5.413 9.597 -5.928 713 HE2 GLU 21 HE2 GLU 21 6.694 9.239 -10.255 714 HB2 GLU 21 1HB GLU 21 3.253 7.683 -6.837 715 HB3 GLU 21 2HB GLU 21 3.693 9.225 -7.586 716 HG2 GLU 21 1HG GLU 21 5.993 7.493 -7.402 717 HG3 GLU 21 2HG GLU 21 4.653 6.694 -8.238 718 H ALA 22 H ALA 22 2.828 7.605 -4.510 719 HA ALA 22 HA ALA 22 0.969 9.608 -4.034 720 HB1 ALA 22 3HB ALA 22 0.238 8.093 -2.105 721 HB2 ALA 22 1HB ALA 22 0.226 7.413 -3.733 722 HB3 ALA 22 2HB ALA 22 1.541 7.024 -2.623 723 H ALA 23 H ALA 23 3.882 8.800 -2.291 724 HA ALA 23 HA ALA 23 3.287 10.275 0.070 725 HB1 ALA 23 3HB ALA 23 5.917 10.175 0.213 726 HB2 ALA 23 1HB ALA 23 4.927 8.740 0.483 727 HB3 ALA 23 2HB ALA 23 5.710 8.991 -1.078 728 H LYS 24 H LYS 24 5.427 10.967 -2.700 729 HA LYS 24 HA LYS 24 6.074 13.590 -1.904 730 HB2 LYS 24 1HB LYS 24 6.793 13.899 -4.268 731 HB3 LYS 24 2HB LYS 24 7.455 12.442 -3.509 732 HG2 LYS 24 1HG LYS 24 5.774 11.070 -4.634 733 HG3 LYS 24 2HG LYS 24 5.105 12.526 -5.391 734 HD2 LYS 24 1HD LYS 24 6.470 11.849 -7.090 735 HD3 LYS 24 2HD LYS 24 7.628 12.825 -6.169 736 HE2 LYS 24 1HE LYS 24 8.056 10.546 -4.905 737 HE3 LYS 24 2HE LYS 24 7.406 9.861 -6.401 738 HZ1 LYS 24 3HZ LYS 24 9.630 11.820 -6.373 739 HZ2 LYS 24 1HZ LYS 24 9.117 10.854 -7.663 740 HZ3 LYS 24 2HZ LYS 24 9.878 10.147 -6.329 741 H LEU 25 H LEU 25 3.429 12.275 -3.796 742 HA LEU 25 HA LEU 25 2.469 14.827 -4.682 743 HG LEU 25 HG LEU 25 2.585 13.243 -6.906 744 HB2 LEU 25 1HB LEU 25 1.729 12.010 -4.989 745 HB3 LEU 25 2HB LEU 25 0.341 13.109 -4.892 746 HD11 LEU 25 1HD1 LEU 25 0.808 11.414 -7.086 747 HD12 LEU 25 2HD1 LEU 25 1.069 12.444 -8.493 748 HD13 LEU 25 3HD1 LEU 25 -0.320 12.723 -7.443 749 HD21 LEU 25 3HD2 LEU 25 0.266 14.833 -7.506 750 HD22 LEU 25 1HD2 LEU 25 1.960 15.314 -7.408 751 HD23 LEU 25 2HD2 LEU 25 0.959 15.312 -5.955 752 H LEU 26 H LEU 26 1.681 12.591 -2.072 753 HA LEU 26 HA LEU 26 -0.673 13.661 -1.131 754 HG LEU 26 HG LEU 26 -0.636 11.127 -0.745 755 HB2 LEU 26 1HB LEU 26 1.566 12.136 0.020 756 HB3 LEU 26 2HB LEU 26 0.611 13.062 1.193 757 HD11 LEU 26 1HD1 LEU 26 1.143 10.193 0.916 758 HD12 LEU 26 2HD1 LEU 26 -0.412 9.382 0.737 759 HD13 LEU 26 3HD1 LEU 26 -0.126 10.446 2.114 760 HD21 LEU 26 3HD2 LEU 26 -2.535 11.254 0.659 761 HD22 LEU 26 1HD2 LEU 26 -2.013 12.916 0.385 762 HD23 LEU 26 2HD2 LEU 26 -1.642 12.116 1.912 763 H GLU 27 H GLU 27 2.626 14.627 -0.193 764 HA GLU 27 HA GLU 27 1.665 16.860 1.344 765 HE2 GLU 27 HE2 GLU 27 6.907 15.944 3.085 766 HB2 GLU 27 1HB GLU 27 4.235 15.542 0.831 767 HB3 GLU 27 2HB GLU 27 4.353 17.302 0.979 768 HG2 GLU 27 1HG GLU 27 3.355 17.259 3.162 769 HG3 GLU 27 2HG GLU 27 3.026 15.527 3.011 770 H GLY 28 H GLY 28 2.210 16.302 -1.930 771 HA2 GLY 28 1HA GLY 28 2.144 17.685 -3.761 772 HA3 GLY 28 2HA GLY 28 1.549 18.939 -2.682 773 H GLY 29 H GLY 29 4.577 17.493 -1.905 774 HA2 GLY 29 1HA GLY 29 6.721 18.312 -1.914 775 HA3 GLY 29 2HA GLY 29 6.313 19.075 -3.444 776 H GLY 30 H GLY 30 4.367 19.905 -0.734 777 HA2 GLY 30 1HA GLY 30 5.413 21.740 0.787 778 HA3 GLY 30 2HA GLY 30 5.577 22.581 -0.747 779 H GLY 31 H GLY 31 2.996 20.676 0.825 780 HA2 GLY 31 1HA GLY 31 1.277 23.012 0.892 781 HA3 GLY 31 2HA GLY 31 0.778 21.758 -0.235 782 H GLY 32 H GLY 32 -1.032 22.296 1.582 783 HA2 GLY 32 1HA GLY 32 -2.285 21.451 3.312 784 HA3 GLY 32 2HA GLY 32 -1.568 19.909 2.870 785 H GLY 33 H GLY 33 -1.541 19.240 5.047 786 HA2 GLY 33 1HA GLY 33 -0.345 20.709 7.140 787 HA3 GLY 33 2HA GLY 33 -0.627 18.974 7.137 788 H GLY 34 H GLY 34 0.958 17.755 5.616 789 HA2 GLY 34 1HA GLY 34 3.120 17.137 5.145 790 HA3 GLY 34 2HA GLY 34 3.526 18.847 5.144 791 H GLY 35 H GLY 35 5.032 16.554 6.196 792 HA2 GLY 35 1HA GLY 35 6.556 17.212 8.107 793 HA3 GLY 35 2HA GLY 35 5.080 17.280 9.059 794 H GLU 36 H GLU 36 5.998 15.721 10.485 795 HA GLU 36 HA GLU 36 6.863 13.168 9.659 796 HE2 GLU 36 HE2 GLU 36 8.335 12.003 14.936 797 HB2 GLU 36 1HB GLU 36 7.504 13.941 11.820 798 HB3 GLU 36 2HB GLU 36 5.817 14.191 12.297 799 HG2 GLU 36 1HG GLU 36 5.419 11.791 12.263 800 HG3 GLU 36 2HG GLU 36 7.086 11.519 11.738 801 H LEU 37 H LEU 37 3.708 14.497 10.300 802 HA LEU 37 HA LEU 37 2.193 12.239 10.760 803 HG LEU 37 HG LEU 37 2.063 14.817 8.123 804 HB2 LEU 37 1HB LEU 37 0.309 13.471 10.117 805 HB3 LEU 37 2HB LEU 37 1.467 14.672 10.716 806 HD11 LEU 37 1HD1 LEU 37 -0.435 14.821 7.139 807 HD12 LEU 37 2HD1 LEU 37 -0.556 13.467 8.263 808 HD13 LEU 37 3HD1 LEU 37 0.667 13.451 6.993 809 HD21 LEU 37 3HD2 LEU 37 -0.124 16.472 8.221 810 HD22 LEU 37 1HD2 LEU 37 1.490 16.862 8.819 811 HD23 LEU 37 2HD2 LEU 37 0.265 16.240 9.927 812 H MET 38 H MET 38 3.490 13.452 7.729 813 HA MET 38 HA MET 38 2.043 11.639 6.065 814 HB2 MET 38 1HB MET 38 2.904 13.749 5.190 815 HB3 MET 38 2HB MET 38 4.561 13.222 5.521 816 HG2 MET 38 1HG MET 38 3.581 11.177 3.961 817 HG3 MET 38 2HG MET 38 2.823 12.613 3.269 818 HE1 MET 38 3HE MET 38 7.044 12.706 4.493 819 HE2 MET 38 1HE MET 38 5.887 11.447 4.926 820 HE3 MET 38 2HE MET 38 6.982 11.205 3.566 821 H LYS 39 H LYS 39 5.173 11.602 7.659 822 HA LYS 39 HA LYS 39 6.395 9.481 6.365 823 HB2 LYS 39 1HB LYS 39 7.293 11.023 8.221 824 HB3 LYS 39 2HB LYS 39 6.574 9.858 9.346 825 HG2 LYS 39 1HG LYS 39 7.951 8.142 7.845 826 HG3 LYS 39 2HG LYS 39 8.942 9.589 7.589 827 HD2 LYS 39 1HD LYS 39 8.919 9.860 10.135 828 HD3 LYS 39 2HD LYS 39 8.302 8.200 10.178 829 HE2 LYS 39 1HE LYS 39 10.271 7.398 8.982 830 HE3 LYS 39 2HE LYS 39 10.874 9.057 8.855 831 HZ1 LYS 39 3HZ LYS 39 11.397 7.284 10.877 832 HZ2 LYS 39 1HZ LYS 39 10.290 8.369 11.557 833 HZ3 LYS 39 2HZ LYS 39 11.732 8.942 10.883 834 H LEU 40 H LEU 40 3.814 9.468 8.715 835 HA LEU 40 HA LEU 40 3.888 6.849 9.610 836 HG LEU 40 HG LEU 40 1.487 8.970 11.456 837 HB2 LEU 40 1HB LEU 40 1.708 8.845 9.178 838 HB3 LEU 40 2HB LEU 40 1.274 7.172 9.571 839 HD11 LEU 40 1HD1 LEU 40 0.943 6.722 11.968 840 HD12 LEU 40 2HD1 LEU 40 2.300 7.163 13.005 841 HD13 LEU 40 3HD1 LEU 40 2.570 6.166 11.575 842 HD21 LEU 40 3HD2 LEU 40 3.771 9.655 10.774 843 HD22 LEU 40 1HD2 LEU 40 4.349 8.051 11.221 844 HD23 LEU 40 2HD2 LEU 40 3.672 9.118 12.452 845 H CYS 41 H CYS 41 1.979 8.091 6.861 846 HA CYS 41 HA CYS 41 1.163 5.551 5.951 847 HG CYS 41 HG CYS 41 -0.315 9.420 5.517 848 HB2 CYS 41 1HB CYS 41 1.475 8.047 4.279 849 HB3 CYS 41 2HB CYS 41 0.390 6.681 3.969 850 H GLU 42 H GLU 42 3.977 7.531 5.264 851 HA GLU 42 HA GLU 42 4.930 6.261 2.981 852 HE2 GLU 42 HE2 GLU 42 9.787 9.319 4.181 853 HB2 GLU 42 1HB GLU 42 5.912 8.320 3.789 854 HB3 GLU 42 2HB GLU 42 6.465 7.512 5.264 855 HG2 GLU 42 1HG GLU 42 8.103 6.276 4.126 856 HG3 GLU 42 2HG GLU 42 7.383 6.633 2.550 857 H GLU 43 H GLU 43 4.881 5.197 6.276 858 HA GLU 43 HA GLU 43 6.938 3.332 6.309 859 HE2 GLU 43 HE2 GLU 43 8.513 3.148 9.781 860 HB2 GLU 43 1HB GLU 43 4.225 3.087 7.631 861 HB3 GLU 43 2HB GLU 43 5.691 2.205 8.086 862 HG2 GLU 43 1HG GLU 43 6.033 5.111 8.055 863 HG3 GLU 43 2HG GLU 43 4.828 4.533 9.215 864 H ALA 44 H ALA 44 3.876 3.237 4.697 865 HA ALA 44 HA ALA 44 3.437 0.527 4.365 866 HB1 ALA 44 3HB ALA 44 2.792 2.937 2.748 867 HB2 ALA 44 1HB ALA 44 2.543 1.348 2.025 868 HB3 ALA 44 2HB ALA 44 1.717 1.775 3.525 869 H ALA 45 H ALA 45 5.488 2.680 2.422 870 HA ALA 45 HA ALA 45 6.338 0.597 0.651 871 HB1 ALA 45 3HB ALA 45 6.807 2.409 -0.546 872 HB2 ALA 45 1HB ALA 45 6.674 3.451 0.871 873 HB3 ALA 45 2HB ALA 45 8.207 2.660 0.499 874 H LYS 46 H LYS 46 7.349 1.752 3.737 875 HA LYS 46 HA LYS 46 10.038 0.774 3.606 876 HB2 LYS 46 1HB LYS 46 9.620 2.552 5.128 877 HB3 LYS 46 2HB LYS 46 8.277 1.677 5.881 878 HG2 LYS 46 1HG LYS 46 9.618 0.641 7.321 879 HG3 LYS 46 2HG LYS 46 10.758 0.191 6.041 880 HD2 LYS 46 1HD LYS 46 10.648 3.009 7.082 881 HD3 LYS 46 2HD LYS 46 11.570 1.754 7.929 882 HE2 LYS 46 1HE LYS 46 13.233 1.819 6.432 883 HE3 LYS 46 2HE LYS 46 12.096 1.741 5.077 884 HZ1 LYS 46 3HZ LYS 46 12.508 3.866 4.684 885 HZ2 LYS 46 1HZ LYS 46 13.530 3.962 6.029 886 HZ3 LYS 46 2HZ LYS 46 11.877 4.281 6.197 887 H LYS 47 H LYS 47 7.049 -0.375 5.155 888 HA LYS 47 HA LYS 47 8.237 -2.803 6.085 889 HB2 LYS 47 1HB LYS 47 5.489 -1.640 6.007 890 HB3 LYS 47 2HB LYS 47 5.649 -3.388 6.248 891 HG2 LYS 47 1HG LYS 47 6.616 -3.171 8.312 892 HG3 LYS 47 2HG LYS 47 7.282 -1.570 7.943 893 HD2 LYS 47 1HD LYS 47 4.740 -0.884 7.827 894 HD3 LYS 47 2HD LYS 47 4.540 -2.323 8.842 895 HE2 LYS 47 1HE LYS 47 6.661 -1.097 10.058 896 HE3 LYS 47 2HE LYS 47 5.719 0.287 9.482 897 HZ1 LYS 47 3HZ LYS 47 4.881 -0.176 11.594 898 HZ2 LYS 47 1HZ LYS 47 4.873 -1.849 11.341 899 HZ3 LYS 47 2HZ LYS 47 3.745 -0.868 10.549 900 H ALA 48 H ALA 48 5.917 -2.055 3.486 901 HA ALA 48 HA ALA 48 5.585 -4.597 2.452 902 HB1 ALA 48 3HB ALA 48 5.639 -1.965 0.984 903 HB2 ALA 48 1HB ALA 48 5.040 -3.481 0.312 904 HB3 ALA 48 2HB ALA 48 4.233 -2.751 1.701 905 H GLU 49 H GLU 49 8.302 -2.441 2.165 906 HA GLU 49 HA GLU 49 9.528 -3.828 -0.029 907 HE2 GLU 49 HE2 GLU 49 14.536 -2.378 2.276 908 HB2 GLU 49 1HB GLU 49 10.002 -1.479 0.296 909 HB3 GLU 49 2HB GLU 49 10.619 -1.798 1.926 910 HG2 GLU 49 1HG GLU 49 12.081 -3.446 0.152 911 HG3 GLU 49 2HG GLU 49 12.014 -1.826 -0.557 912 H GLU 50 H GLU 50 9.789 -3.885 3.479 913 HA GLU 50 HA GLU 50 12.063 -5.623 3.531 914 HE2 GLU 50 HE2 GLU 50 12.123 -4.963 9.078 915 HB2 GLU 50 1HB GLU 50 10.481 -4.157 5.423 916 HB3 GLU 50 2HB GLU 50 10.631 -5.835 5.965 917 HG2 GLU 50 1HG GLU 50 13.089 -5.666 5.724 918 HG3 GLU 50 2HG GLU 50 12.889 -3.959 5.305 919 H LEU 51 H LEU 51 8.604 -6.098 4.248 920 HA LEU 51 HA LEU 51 8.753 -8.869 4.671 921 HG LEU 51 HG LEU 51 6.751 -6.156 3.171 922 HB2 LEU 51 1HB LEU 51 6.329 -8.879 4.342 923 HB3 LEU 51 2HB LEU 51 6.853 -7.551 5.391 924 HD11 LEU 51 1HD1 LEU 51 5.210 -8.630 2.543 925 HD12 LEU 51 2HD1 LEU 51 6.262 -7.665 1.509 926 HD13 LEU 51 3HD1 LEU 51 4.652 -7.076 1.923 927 HD21 LEU 51 3HD2 LEU 51 4.042 -6.327 3.762 928 HD22 LEU 51 1HD2 LEU 51 5.220 -5.241 4.498 929 HD23 LEU 51 2HD2 LEU 51 4.854 -6.790 5.259 930 H PHE 52 H PHE 52 8.890 -7.019 1.797 931 HA PHE 52 HA PHE 52 7.794 -8.675 -0.120 932 HD1 PHE 52 HD1 PHE 52 7.695 -8.678 -2.339 933 HD2 PHE 52 HD2 PHE 52 11.551 -6.885 -2.171 934 HE1 PHE 52 HE1 PHE 52 8.125 -9.397 -4.652 935 HE2 PHE 52 HE2 PHE 52 11.987 -7.600 -4.485 936 HZ PHE 52 HZ PHE 52 10.274 -8.856 -5.728 937 HB2 PHE 52 1HB PHE 52 8.604 -6.482 -0.703 938 HB3 PHE 52 2HB PHE 52 10.255 -6.929 -0.272 939 H LYS 53 H LYS 53 10.623 -9.147 1.790 940 HA LYS 53 HA LYS 53 12.159 -10.841 0.239 941 HB2 LYS 53 1HB LYS 53 12.963 -11.820 2.364 942 HB3 LYS 53 2HB LYS 53 12.919 -10.049 2.400 943 HG2 LYS 53 1HG LYS 53 10.794 -10.129 3.635 944 HG3 LYS 53 2HG LYS 53 10.891 -11.899 3.638 945 HD2 LYS 53 1HD LYS 53 11.683 -10.989 5.760 946 HD3 LYS 53 2HD LYS 53 12.998 -11.788 4.882 947 HE2 LYS 53 1HE LYS 53 12.904 -9.038 4.087 948 HE3 LYS 53 2HE LYS 53 12.898 -9.131 5.854 949 HZ1 LYS 53 3HZ LYS 53 15.071 -9.433 4.156 950 HZ2 LYS 53 1HZ LYS 53 14.780 -10.961 4.823 951 HZ3 LYS 53 2HZ LYS 53 15.041 -9.631 5.836 952 H LEU 54 H LEU 54 9.295 -11.584 2.169 953 HA LEU 54 HA LEU 54 9.337 -14.355 2.019 954 HG LEU 54 HG LEU 54 6.890 -15.386 2.657 955 HB2 LEU 54 1HB LEU 54 7.645 -12.483 3.055 956 HB3 LEU 54 2HB LEU 54 6.685 -13.134 1.716 957 HD11 LEU 54 1HD1 LEU 54 8.981 -15.334 3.755 958 HD12 LEU 54 2HD1 LEU 54 7.768 -15.559 5.014 959 HD13 LEU 54 3HD1 LEU 54 8.499 -13.974 4.769 960 HD21 LEU 54 3HD2 LEU 54 5.969 -13.545 4.843 961 HD22 LEU 54 1HD2 LEU 54 5.318 -15.115 4.372 962 HD23 LEU 54 2HD2 LEU 54 5.080 -13.713 3.328 963 H ALA 55 H ALA 55 8.736 -12.031 -0.443 964 HA ALA 55 HA ALA 55 7.198 -13.637 -2.202 965 HB1 ALA 55 3HB ALA 55 7.777 -11.041 -2.175 966 HB2 ALA 55 1HB ALA 55 9.003 -11.573 -3.326 967 HB3 ALA 55 2HB ALA 55 7.296 -11.886 -3.645 968 H GLU 56 H GLU 56 10.571 -13.489 -1.454 969 HA GLU 56 HA GLU 56 11.483 -14.746 -3.865 970 HE2 GLU 56 HE2 GLU 56 15.112 -11.411 -4.115 971 HB2 GLU 56 1HB GLU 56 13.002 -14.747 -1.268 972 HB3 GLU 56 2HB GLU 56 13.628 -14.689 -2.923 973 HG2 GLU 56 1HG GLU 56 12.119 -12.392 -2.761 974 HG3 GLU 56 2HG GLU 56 12.840 -12.525 -1.150 975 H GLU 57 H GLU 57 10.287 -15.816 -0.790 976 HA GLU 57 HA GLU 57 11.355 -18.418 -0.756 977 HE2 GLU 57 HE2 GLU 57 11.524 -18.904 4.101 978 HB2 GLU 57 1HB GLU 57 8.727 -17.442 0.387 979 HB3 GLU 57 2HB GLU 57 9.562 -18.938 0.832 980 HG2 GLU 57 1HG GLU 57 11.130 -16.447 1.100 981 HG3 GLU 57 2HG GLU 57 9.772 -16.652 2.215 982 H ARG 58 H ARG 58 8.224 -17.211 -1.940 983 HA ARG 58 HA ARG 58 7.480 -19.780 -2.998 984 HE ARG 58 HE ARG 58 6.809 -17.630 -0.844 985 HB2 ARG 58 1HB ARG 58 5.605 -18.387 -4.068 986 HB3 ARG 58 2HB ARG 58 5.652 -18.491 -2.301 987 HG2 ARG 58 1HG ARG 58 7.203 -16.237 -3.211 988 HG3 ARG 58 2HG ARG 58 5.555 -16.180 -3.859 989 HD2 ARG 58 1HD ARG 58 5.986 -15.076 -1.575 990 HD3 ARG 58 2HD ARG 58 4.585 -16.145 -1.737 991 HH11 ARG 58 1HH1 ARG 58 4.532 -15.232 0.245 992 HH12 ARG 58 2HH1 ARG 58 4.626 -15.708 1.907 993 HH21 ARG 58 1HH2 ARG 58 6.941 -18.267 1.342 994 HH22 ARG 58 2HH2 ARG 58 5.998 -17.435 2.531 995 H LEU 59 H LEU 59 9.297 -17.105 -4.101 996 HA LEU 59 HA LEU 59 8.888 -17.682 -6.917 997 HG LEU 59 HG LEU 59 11.784 -16.067 -7.529 998 HB2 LEU 59 1HB LEU 59 9.103 -15.372 -6.318 999 HB3 LEU 59 2HB LEU 59 10.622 -15.695 -5.465 1000 HD11 LEU 59 1HD1 LEU 59 10.510 -17.116 -9.071 1001 HD12 LEU 59 2HD1 LEU 59 10.252 -15.468 -9.642 1002 HD13 LEU 59 3HD1 LEU 59 9.045 -16.245 -8.617 1003 HD21 LEU 59 3HD2 LEU 59 10.027 -13.620 -7.682 1004 HD22 LEU 59 1HD2 LEU 59 11.509 -13.869 -8.606 1005 HD23 LEU 59 2HD2 LEU 59 11.574 -13.753 -6.847 1006 H LYS 60 H LYS 60 11.946 -17.116 -5.210 1007 HA LYS 60 HA LYS 60 13.111 -19.358 -6.703 1008 HB2 LYS 60 1HB LYS 60 15.303 -18.336 -5.955 1009 HB3 LYS 60 2HB LYS 60 14.332 -17.355 -7.066 1010 HG2 LYS 60 1HG LYS 60 13.631 -16.729 -4.349 1011 HG3 LYS 60 2HG LYS 60 15.383 -16.599 -4.582 1012 HD2 LYS 60 1HD LYS 60 13.808 -15.446 -6.774 1013 HD3 LYS 60 2HD LYS 60 13.559 -14.656 -5.207 1014 HE2 LYS 60 1HE LYS 60 15.567 -13.672 -5.274 1015 HE3 LYS 60 2HE LYS 60 16.362 -15.199 -5.687 1016 HZ1 LYS 60 3HZ LYS 60 15.690 -13.011 -7.378 1017 HZ2 LYS 60 1HZ LYS 60 15.030 -14.453 -7.969 1018 HZ3 LYS 60 2HZ LYS 60 16.693 -14.337 -7.689 1019 H LYS 61 H LYS 61 15.206 -20.134 -5.282 1020 HA LYS 61 HA LYS 61 14.096 -20.990 -2.688 1021 HB2 LYS 61 1HB LYS 61 15.483 -23.074 -3.004 1022 HB3 LYS 61 2HB LYS 61 14.106 -22.902 -4.104 1023 HG2 LYS 61 1HG LYS 61 16.426 -21.706 -5.291 1024 HG3 LYS 61 2HG LYS 61 16.798 -23.357 -4.763 1025 HD2 LYS 61 1HD LYS 61 14.232 -22.879 -6.214 1026 HD3 LYS 61 2HD LYS 61 15.745 -22.877 -7.138 1027 HE2 LYS 61 1HE LYS 61 15.761 -25.104 -7.146 1028 HE3 LYS 61 2HE LYS 61 15.814 -25.100 -5.377 1029 HZ1 LYS 61 3HZ LYS 61 13.757 -25.874 -5.333 1030 HZ2 LYS 61 1HZ LYS 61 13.719 -25.918 -7.023 1031 HZ3 LYS 61 2HZ LYS 61 13.189 -24.538 -6.201 1032 H LEU 62 H LEU 62 15.254 -18.918 -2.072 1033 HA LEU 62 HA LEU 62 18.051 -18.711 -2.119 1034 HG LEU 62 HG LEU 62 15.614 -16.663 -2.347 1035 HB2 LEU 62 1HB LEU 62 16.052 -17.578 -0.154 1036 HB3 LEU 62 2HB LEU 62 17.753 -17.095 -0.265 1037 HD11 LEU 62 1HD1 LEU 62 15.272 -14.726 -1.331 1038 HD12 LEU 62 2HD1 LEU 62 16.968 -14.303 -1.557 1039 HD13 LEU 62 3HD1 LEU 62 16.458 -15.151 -0.098 1040 HD21 LEU 62 3HD2 LEU 62 18.560 -16.024 -2.423 1041 HD22 LEU 62 1HD2 LEU 62 17.366 -15.444 -3.584 1042 HD23 LEU 62 2HD2 LEU 62 17.702 -17.171 -3.453 1043 HC1 HLT 101 HC1 HLT 101 -1.304 1.466 -0.885 Start of MODEL 13 1 HA MET 1 HA MET 1 -16.929 21.771 -1.058 2 H1 MET 1 1H MET 1 -17.810 20.053 -2.325 3 HB2 MET 1 1HB MET 1 -16.973 19.739 1.185 4 HB3 MET 1 2HB MET 1 -16.451 21.422 1.361 5 HG2 MET 1 1HG MET 1 -18.543 22.196 1.482 6 HG3 MET 1 2HG MET 1 -19.084 21.170 0.149 7 HE1 MET 1 3HE MET 1 -20.741 18.987 0.644 8 HE2 MET 1 1HE MET 1 -19.041 18.544 0.479 9 HE3 MET 1 2HE MET 1 -20.011 17.850 1.779 10 H LYS 2 H LYS 2 -15.344 20.847 -2.787 11 HA LYS 2 HA LYS 2 -12.954 19.692 -1.568 12 HB2 LYS 2 1HB LYS 2 -12.182 19.238 -3.764 13 HB3 LYS 2 2HB LYS 2 -13.907 18.839 -3.753 14 HG2 LYS 2 1HG LYS 2 -14.163 21.315 -4.611 15 HG3 LYS 2 2HG LYS 2 -12.485 21.061 -5.124 16 HD2 LYS 2 1HD LYS 2 -14.774 19.209 -5.822 17 HD3 LYS 2 2HD LYS 2 -14.175 20.507 -6.872 18 HE2 LYS 2 1HE LYS 2 -11.914 19.447 -6.811 19 HE3 LYS 2 2HE LYS 2 -12.628 18.106 -5.903 20 HZ1 LYS 2 3HZ LYS 2 -12.403 17.867 -8.420 21 HZ2 LYS 2 1HZ LYS 2 -13.728 18.914 -8.521 22 HZ3 LYS 2 2HZ LYS 2 -13.880 17.432 -7.722 23 H LYS 3 H LYS 3 -10.986 20.725 -3.201 24 HA LYS 3 HA LYS 3 -10.940 23.498 -3.512 25 HB2 LYS 3 1HB LYS 3 -10.609 22.596 -0.777 26 HB3 LYS 3 2HB LYS 3 -9.169 23.454 -1.344 27 HG2 LYS 3 1HG LYS 3 -11.394 24.970 -2.192 28 HG3 LYS 3 2HG LYS 3 -11.678 24.516 -0.503 29 HD2 LYS 3 1HD LYS 3 -9.171 25.249 -0.196 30 HD3 LYS 3 2HD LYS 3 -9.486 26.166 -1.679 31 HE2 LYS 3 1HE LYS 3 -11.215 26.328 0.796 32 HE3 LYS 3 2HE LYS 3 -9.882 27.436 0.443 33 HZ1 LYS 3 3HZ LYS 3 -11.342 27.467 -1.845 34 HZ2 LYS 3 1HZ LYS 3 -11.405 28.635 -0.622 35 HZ3 LYS 3 2HZ LYS 3 -12.533 27.374 -0.647 36 H LEU 4 H LEU 4 -8.862 20.881 -2.275 37 HA LEU 4 HA LEU 4 -7.316 20.599 -4.560 38 HG LEU 4 HG LEU 4 -4.745 23.173 -4.714 39 HB2 LEU 4 1HB LEU 4 -6.735 23.009 -3.323 40 HB3 LEU 4 2HB LEU 4 -5.461 21.917 -2.751 41 HD11 LEU 4 1HD1 LEU 4 -3.668 21.107 -4.527 42 HD12 LEU 4 2HD1 LEU 4 -4.235 21.153 -6.196 43 HD13 LEU 4 3HD1 LEU 4 -5.112 20.209 -4.994 44 HD21 LEU 4 3HD2 LEU 4 -6.626 23.669 -5.960 45 HD22 LEU 4 1HD2 LEU 4 -7.243 22.018 -5.883 46 HD23 LEU 4 2HD2 LEU 4 -5.870 22.399 -6.924 47 H ARG 5 H ARG 5 -7.487 20.487 -1.071 48 HA ARG 5 HA ARG 5 -5.402 18.589 -0.697 49 HE ARG 5 HE ARG 5 -7.643 22.295 3.373 50 HB2 ARG 5 1HB ARG 5 -7.766 19.008 1.134 51 HB3 ARG 5 2HB ARG 5 -6.145 18.441 1.559 52 HG2 ARG 5 1HG ARG 5 -5.674 20.530 2.147 53 HG3 ARG 5 2HG ARG 5 -5.699 20.922 0.419 54 HD2 ARG 5 1HD ARG 5 -7.726 21.941 0.526 55 HD3 ARG 5 2HD ARG 5 -8.325 20.824 1.760 56 HH11 ARG 5 1HH1 ARG 5 -6.079 23.099 0.369 57 HH12 ARG 5 2HH1 ARG 5 -5.390 24.571 0.971 58 HH21 ARG 5 1HH2 ARG 5 -6.742 24.231 4.177 59 HH22 ARG 5 2HH2 ARG 5 -5.768 25.214 3.136 60 H GLU 6 H GLU 6 -8.706 18.366 -1.661 61 HA GLU 6 HA GLU 6 -9.402 15.806 -0.862 62 HE2 GLU 6 HE2 GLU 6 -11.297 14.091 -5.191 63 HB2 GLU 6 1HB GLU 6 -10.722 17.653 -2.181 64 HB3 GLU 6 2HB GLU 6 -10.147 16.761 -3.598 65 HG2 GLU 6 1HG GLU 6 -11.222 14.924 -1.674 66 HG3 GLU 6 2HG GLU 6 -12.390 16.211 -2.009 67 H GLU 7 H GLU 7 -7.308 16.847 -3.465 68 HA GLU 7 HA GLU 7 -7.168 14.529 -4.985 69 HE2 GLU 7 HE2 GLU 7 -5.962 16.166 -9.406 70 HB2 GLU 7 1HB GLU 7 -5.140 16.674 -4.375 71 HB3 GLU 7 2HB GLU 7 -4.767 15.321 -5.456 72 HG2 GLU 7 1HG GLU 7 -7.277 16.746 -6.045 73 HG3 GLU 7 2HG GLU 7 -5.791 17.678 -6.270 74 H ALA 8 H ALA 8 -5.061 15.479 -2.270 75 HA ALA 8 HA ALA 8 -3.476 13.212 -2.161 76 HB1 ALA 8 3HB ALA 8 -2.580 14.515 -0.600 77 HB2 ALA 8 1HB ALA 8 -4.071 15.442 -0.432 78 HB3 ALA 8 2HB ALA 8 -3.845 13.960 0.499 79 H ALA 9 H ALA 9 -6.769 13.659 -1.135 80 HA ALA 9 HA ALA 9 -6.965 11.427 0.594 81 HB1 ALA 9 3HB ALA 9 -9.358 12.269 -0.931 82 HB2 ALA 9 1HB ALA 9 -9.158 11.967 0.795 83 HB3 ALA 9 2HB ALA 9 -8.587 13.481 0.093 84 H LYS 10 H LYS 10 -7.509 11.846 -2.873 85 HA LYS 10 HA LYS 10 -8.588 9.301 -3.390 86 HB2 LYS 10 1HB LYS 10 -6.884 10.892 -5.311 87 HB3 LYS 10 2HB LYS 10 -8.181 9.749 -5.696 88 HG2 LYS 10 1HG LYS 10 -9.369 11.702 -4.073 89 HG3 LYS 10 2HG LYS 10 -8.328 12.575 -5.213 90 HD2 LYS 10 1HD LYS 10 -10.011 10.383 -6.315 91 HD3 LYS 10 2HD LYS 10 -10.830 11.873 -5.811 92 HE2 LYS 10 1HE LYS 10 -9.264 13.181 -7.230 93 HE3 LYS 10 2HE LYS 10 -8.555 11.657 -7.781 94 HZ1 LYS 10 3HZ LYS 10 -11.017 11.118 -8.388 95 HZ2 LYS 10 1HZ LYS 10 -10.071 12.065 -9.424 96 HZ3 LYS 10 2HZ LYS 10 -11.188 12.801 -8.390 97 H LEU 11 H LEU 11 -5.293 10.435 -3.060 98 HA LEU 11 HA LEU 11 -3.867 8.388 -4.238 99 HG LEU 11 HG LEU 11 -3.478 11.510 -3.329 100 HB2 LEU 11 1HB LEU 11 -3.198 9.805 -1.652 101 HB3 LEU 11 2HB LEU 11 -2.062 8.925 -2.689 102 HD11 LEU 11 1HD1 LEU 11 -0.590 10.798 -2.852 103 HD12 LEU 11 2HD1 LEU 11 -1.613 11.836 -1.862 104 HD13 LEU 11 3HD1 LEU 11 -1.143 12.349 -3.482 105 HD21 LEU 11 3HD2 LEU 11 -1.627 9.873 -5.060 106 HD22 LEU 11 1HD2 LEU 11 -2.272 11.469 -5.446 107 HD23 LEU 11 2HD2 LEU 11 -3.360 10.085 -5.315 108 H PHE 12 H PHE 12 -5.226 8.517 -0.965 109 HA PHE 12 HA PHE 12 -4.251 5.934 -0.230 110 HD1 PHE 12 HD1 PHE 12 -2.988 6.173 1.430 111 HD2 PHE 12 HD2 PHE 12 -5.554 9.457 2.289 112 HE1 PHE 12 HE1 PHE 12 -1.131 7.323 2.564 113 HE2 PHE 12 HE2 PHE 12 -3.702 10.613 3.423 114 HZ PHE 12 HZ PHE 12 -1.486 9.546 3.560 115 HB2 PHE 12 1HB PHE 12 -6.364 7.727 0.992 116 HB3 PHE 12 2HB PHE 12 -5.834 6.205 1.711 117 H GLU 13 H GLU 13 -7.038 7.120 -1.888 118 HA GLU 13 HA GLU 13 -8.879 5.080 -1.411 119 HE2 GLU 13 HE2 GLU 13 -11.964 8.683 -1.434 120 HB2 GLU 13 1HB GLU 13 -8.811 7.354 -2.957 121 HB3 GLU 13 2HB GLU 13 -8.861 6.066 -4.172 122 HG2 GLU 13 1HG GLU 13 -11.021 5.719 -3.831 123 HG3 GLU 13 2HG GLU 13 -10.762 5.534 -2.090 124 H GLU 14 H GLU 14 -6.212 5.267 -3.713 125 HA GLU 14 HA GLU 14 -6.861 2.803 -5.018 126 HE2 GLU 14 HE2 GLU 14 -5.352 5.540 -9.465 127 HB2 GLU 14 1HB GLU 14 -4.162 4.155 -5.011 128 HB3 GLU 14 2HB GLU 14 -4.854 3.100 -6.254 129 HG2 GLU 14 1HG GLU 14 -6.689 5.001 -6.358 130 HG3 GLU 14 2HG GLU 14 -5.360 5.972 -5.708 131 H TRP 15 H TRP 15 -4.794 3.767 -2.355 132 HA TRP 15 HA TRP 15 -3.185 1.528 -2.094 133 HD1 TRP 15 HD1 TRP 15 -2.629 3.970 -2.856 134 HE1 TRP 15 HE1 TRP 15 -0.512 5.414 -2.616 135 HE3 TRP 15 HE3 TRP 15 -1.828 3.410 2.163 136 HZ2 TRP 15 HZ2 TRP 15 1.264 6.210 -0.570 137 HZ3 TRP 15 HZ3 TRP 15 0.103 4.546 3.182 138 HH2 TRP 15 HH2 TRP 15 1.616 5.916 1.842 139 HB2 TRP 15 1HB TRP 15 -4.363 3.385 -0.020 140 HB3 TRP 15 2HB TRP 15 -3.226 2.101 0.397 141 H LYS 16 H LYS 16 -6.407 2.097 -0.702 142 HA LYS 16 HA LYS 16 -6.550 -0.534 0.440 143 HB2 LYS 16 1HB LYS 16 -7.732 1.212 1.563 144 HB3 LYS 16 2HB LYS 16 -8.588 1.663 0.080 145 HG2 LYS 16 1HG LYS 16 -8.993 -1.125 0.911 146 HG3 LYS 16 2HG LYS 16 -9.609 0.092 2.043 147 HD2 LYS 16 1HD LYS 16 -11.049 1.035 0.440 148 HD3 LYS 16 2HD LYS 16 -10.202 0.239 -0.899 149 HE2 LYS 16 1HE LYS 16 -12.414 -0.785 -0.345 150 HE3 LYS 16 2HE LYS 16 -11.047 -1.905 -0.256 151 HZ1 LYS 16 3HZ LYS 16 -11.548 -0.612 2.246 152 HZ2 LYS 16 1HZ LYS 16 -11.411 -2.261 1.894 153 HZ3 LYS 16 2HZ LYS 16 -12.896 -1.476 1.699 154 H LYS 17 H LYS 17 -7.350 0.909 -2.592 155 HA LYS 17 HA LYS 17 -9.275 -1.005 -3.444 156 HB2 LYS 17 1HB LYS 17 -8.218 1.397 -4.425 157 HB3 LYS 17 2HB LYS 17 -7.775 0.171 -5.624 158 HG2 LYS 17 1HG LYS 17 -9.820 0.209 -6.466 159 HG3 LYS 17 2HG LYS 17 -10.488 -0.246 -4.889 160 HD2 LYS 17 1HD LYS 17 -10.244 2.240 -4.273 161 HD3 LYS 17 2HD LYS 17 -10.049 2.504 -6.015 162 HE2 LYS 17 1HE LYS 17 -12.360 0.853 -5.097 163 HE3 LYS 17 2HE LYS 17 -12.423 2.603 -4.843 164 HZ1 LYS 17 3HZ LYS 17 -12.614 3.009 -7.037 165 HZ2 LYS 17 1HZ LYS 17 -13.215 1.427 -7.083 166 HZ3 LYS 17 2HZ LYS 17 -11.603 1.732 -7.492 167 H LEU 18 H LEU 18 -5.789 -0.640 -4.021 168 HA LEU 18 HA LEU 18 -5.421 -2.799 -5.730 169 HG LEU 18 HG LEU 18 -4.348 -0.381 -5.914 170 HB2 LEU 18 1HB LEU 18 -3.571 -1.647 -3.637 171 HB3 LEU 18 2HB LEU 18 -3.079 -2.823 -4.869 172 HD11 LEU 18 1HD1 LEU 18 -1.639 -0.285 -4.595 173 HD12 LEU 18 2HD1 LEU 18 -3.081 0.594 -4.088 174 HD13 LEU 18 3HD1 LEU 18 -2.320 0.967 -5.635 175 HD21 LEU 18 3HD2 LEU 18 -3.492 -1.637 -7.608 176 HD22 LEU 18 1HD2 LEU 18 -2.186 -2.287 -6.618 177 HD23 LEU 18 2HD2 LEU 18 -2.075 -0.648 -7.259 178 H ALA 19 H ALA 19 -5.765 -2.704 -2.249 179 HA ALA 19 HA ALA 19 -4.891 -5.363 -1.750 180 HB1 ALA 19 3HB ALA 19 -5.316 -3.281 -0.149 181 HB2 ALA 19 1HB ALA 19 -6.858 -4.107 0.076 182 HB3 ALA 19 2HB ALA 19 -5.347 -4.944 0.435 183 H GLU 20 H GLU 20 -7.806 -4.018 -2.971 184 HA GLU 20 HA GLU 20 -9.614 -6.045 -2.174 185 HE2 GLU 20 HE2 GLU 20 -12.545 -2.089 -4.855 186 HB2 GLU 20 1HB GLU 20 -9.792 -4.325 -4.655 187 HB3 GLU 20 2HB GLU 20 -11.125 -5.118 -3.800 188 HG2 GLU 20 1HG GLU 20 -10.729 -3.681 -1.848 189 HG3 GLU 20 2HG GLU 20 -9.431 -2.868 -2.736 190 H GLU 21 H GLU 21 -7.802 -5.526 -5.192 191 HA GLU 21 HA GLU 21 -8.712 -7.937 -6.405 192 HE2 GLU 21 HE2 GLU 21 -8.868 -5.371 -11.016 193 HB2 GLU 21 1HB GLU 21 -6.239 -6.333 -7.087 194 HB3 GLU 21 2HB GLU 21 -7.093 -7.473 -8.137 195 HG2 GLU 21 1HG GLU 21 -8.890 -5.426 -7.190 196 HG3 GLU 21 2HG GLU 21 -7.469 -4.719 -7.970 197 H ALA 22 H ALA 22 -5.988 -7.071 -4.392 198 HA ALA 22 HA ALA 22 -4.529 -9.496 -4.852 199 HB1 ALA 22 3HB ALA 22 -3.342 -8.659 -2.684 200 HB2 ALA 22 1HB ALA 22 -3.127 -7.791 -4.204 201 HB3 ALA 22 2HB ALA 22 -4.252 -7.181 -2.991 202 H ALA 23 H ALA 23 -6.910 -8.389 -2.534 203 HA ALA 23 HA ALA 23 -6.561 -10.515 -0.673 204 HB1 ALA 23 3HB ALA 23 -8.998 -9.748 -0.055 205 HB2 ALA 23 1HB ALA 23 -7.605 -8.729 0.311 206 HB3 ALA 23 2HB ALA 23 -8.600 -8.388 -1.105 207 H LYS 24 H LYS 24 -8.980 -9.901 -3.214 208 HA LYS 24 HA LYS 24 -10.412 -12.293 -2.877 209 HB2 LYS 24 1HB LYS 24 -11.256 -11.872 -5.179 210 HB3 LYS 24 2HB LYS 24 -11.375 -10.462 -4.113 211 HG2 LYS 24 1HG LYS 24 -10.483 -9.362 -5.853 212 HG3 LYS 24 2HG LYS 24 -8.958 -10.025 -5.238 213 HD2 LYS 24 1HD LYS 24 -8.982 -10.500 -7.558 214 HD3 LYS 24 2HD LYS 24 -9.363 -12.023 -6.737 215 HE2 LYS 24 1HE LYS 24 -11.351 -12.171 -7.746 216 HE3 LYS 24 2HE LYS 24 -11.767 -10.519 -7.266 217 HZ1 LYS 24 3HZ LYS 24 -11.144 -11.430 -9.809 218 HZ2 LYS 24 1HZ LYS 24 -9.852 -10.446 -9.336 219 HZ3 LYS 24 2HZ LYS 24 -11.428 -9.833 -9.328 220 H LEU 25 H LEU 25 -7.585 -11.504 -4.822 221 HA LEU 25 HA LEU 25 -7.524 -14.035 -6.168 222 HG LEU 25 HG LEU 25 -7.380 -11.705 -7.847 223 HB2 LEU 25 1HB LEU 25 -5.775 -11.627 -6.020 224 HB3 LEU 25 2HB LEU 25 -5.059 -13.152 -6.573 225 HD11 LEU 25 1HD1 LEU 25 -4.982 -10.820 -8.093 226 HD12 LEU 25 2HD1 LEU 25 -5.930 -11.084 -9.556 227 HD13 LEU 25 3HD1 LEU 25 -4.704 -12.258 -9.076 228 HD21 LEU 25 3HD2 LEU 25 -6.699 -14.449 -7.918 229 HD22 LEU 25 1HD2 LEU 25 -6.258 -13.751 -9.477 230 HD23 LEU 25 2HD2 LEU 25 -7.910 -13.596 -8.876 231 H LEU 26 H LEU 26 -5.909 -12.610 -3.375 232 HA LEU 26 HA LEU 26 -3.940 -14.470 -2.879 233 HG LEU 26 HG LEU 26 -3.093 -12.268 -2.167 234 HB2 LEU 26 1HB LEU 26 -5.514 -12.574 -1.269 235 HB3 LEU 26 2HB LEU 26 -4.814 -13.925 -0.360 236 HD11 LEU 26 1HD1 LEU 26 -4.357 -11.439 0.355 237 HD12 LEU 26 2HD1 LEU 26 -3.677 -10.470 -0.952 238 HD13 LEU 26 3HD1 LEU 26 -2.613 -11.187 0.258 239 HD21 LEU 26 3HD2 LEU 26 -2.491 -14.505 -0.933 240 HD22 LEU 26 1HD2 LEU 26 -2.294 -13.435 0.456 241 HD23 LEU 26 2HD2 LEU 26 -1.337 -13.173 -1.002 242 H GLU 27 H GLU 27 -7.366 -14.628 -1.989 243 HA GLU 27 HA GLU 27 -6.969 -17.374 -1.036 244 HE2 GLU 27 HE2 GLU 27 -10.300 -16.029 3.017 245 HB2 GLU 27 1HB GLU 27 -9.496 -15.737 -0.813 246 HB3 GLU 27 2HB GLU 27 -9.043 -17.178 0.111 247 HG2 GLU 27 1HG GLU 27 -7.018 -15.603 0.831 248 HG3 GLU 27 2HG GLU 27 -8.225 -14.360 0.474 249 H GLY 28 H GLY 28 -7.316 -16.162 -3.899 250 HA2 GLY 28 1HA GLY 28 -9.691 -17.078 -5.026 251 HA3 GLY 28 2HA GLY 28 -8.167 -16.924 -5.889 252 H GLY 29 H GLY 29 -7.080 -18.900 -3.763 253 HA2 GLY 29 1HA GLY 29 -8.059 -21.328 -3.584 254 HA3 GLY 29 2HA GLY 29 -7.799 -21.273 -5.322 255 H GLY 30 H GLY 30 -5.752 -19.850 -2.813 256 HA2 GLY 30 1HA GLY 30 -3.710 -21.891 -3.385 257 HA3 GLY 30 2HA GLY 30 -3.303 -20.189 -3.549 258 H GLY 31 H GLY 31 -3.892 -18.857 -1.519 259 HA2 GLY 31 1HA GLY 31 -4.207 -19.065 0.932 260 HA3 GLY 31 2HA GLY 31 -3.100 -20.428 0.856 261 H GLY 32 H GLY 32 -1.003 -19.622 -0.543 262 HA2 GLY 32 1HA GLY 32 0.977 -18.483 -0.301 263 HA3 GLY 32 2HA GLY 32 -0.036 -17.046 -0.289 264 H GLY 33 H GLY 33 1.891 -16.419 1.122 265 HA2 GLY 33 1HA GLY 33 1.743 -15.516 3.414 266 HA3 GLY 33 2HA GLY 33 1.251 -17.124 3.920 267 H GLY 34 H GLY 34 2.799 -18.777 4.077 268 HA2 GLY 34 1HA GLY 34 4.883 -19.668 4.453 269 HA3 GLY 34 2HA GLY 34 5.511 -18.468 3.333 270 H GLY 35 H GLY 35 3.737 -17.311 6.048 271 HA2 GLY 35 1HA GLY 35 5.261 -17.167 8.198 272 HA3 GLY 35 2HA GLY 35 6.199 -16.149 7.115 273 H GLU 36 H GLU 36 5.926 -14.249 8.232 274 HA GLU 36 HA GLU 36 3.353 -13.342 9.098 275 HE2 GLU 36 HE2 GLU 36 8.827 -10.226 9.964 276 HB2 GLU 36 1HB GLU 36 4.443 -11.412 9.894 277 HB3 GLU 36 2HB GLU 36 5.608 -12.727 10.114 278 HG2 GLU 36 1HG GLU 36 6.246 -11.822 7.612 279 HG3 GLU 36 2HG GLU 36 5.771 -10.338 8.448 280 H LEU 37 H LEU 37 4.867 -13.441 6.109 281 HA LEU 37 HA LEU 37 4.272 -11.061 4.860 282 HG LEU 37 HG LEU 37 3.174 -11.672 2.407 283 HB2 LEU 37 1HB LEU 37 5.513 -12.669 3.665 284 HB3 LEU 37 2HB LEU 37 4.244 -13.890 3.854 285 HD11 LEU 37 1HD1 LEU 37 4.614 -11.276 0.694 286 HD12 LEU 37 2HD1 LEU 37 5.397 -12.850 0.837 287 HD13 LEU 37 3HD1 LEU 37 5.788 -11.565 1.978 288 HD21 LEU 37 3HD2 LEU 37 3.818 -14.524 1.675 289 HD22 LEU 37 1HD2 LEU 37 2.854 -13.428 0.685 290 HD23 LEU 37 2HD2 LEU 37 2.285 -13.901 2.286 291 H MET 38 H MET 38 2.158 -13.922 5.097 292 HA MET 38 HA MET 38 -0.057 -12.918 3.783 293 HB2 MET 38 1HB MET 38 -0.026 -15.220 4.361 294 HB3 MET 38 2HB MET 38 0.167 -14.854 6.083 295 HG2 MET 38 1HG MET 38 -2.097 -13.903 6.138 296 HG3 MET 38 2HG MET 38 -2.285 -14.298 4.428 297 HE1 MET 38 3HE MET 38 -1.570 -16.480 3.567 298 HE2 MET 38 1HE MET 38 -1.449 -17.992 4.469 299 HE3 MET 38 2HE MET 38 -3.010 -17.463 3.840 300 H LYS 39 H LYS 39 0.872 -12.542 7.175 301 HA LYS 39 HA LYS 39 -1.475 -11.144 7.956 302 HB2 LYS 39 1HB LYS 39 -0.200 -12.218 9.657 303 HB3 LYS 39 2HB LYS 39 1.274 -11.363 9.176 304 HG2 LYS 39 1HG LYS 39 -0.909 -9.567 9.917 305 HG3 LYS 39 2HG LYS 39 -0.390 -10.644 11.225 306 HD2 LYS 39 1HD LYS 39 2.023 -9.893 10.360 307 HD3 LYS 39 2HD LYS 39 1.094 -8.471 9.849 308 HE2 LYS 39 1HE LYS 39 1.560 -7.766 11.956 309 HE3 LYS 39 2HE LYS 39 0.135 -8.743 12.337 310 HZ1 LYS 39 3HZ LYS 39 2.441 -10.378 12.306 311 HZ2 LYS 39 1HZ LYS 39 1.370 -10.075 13.580 312 HZ3 LYS 39 2HZ LYS 39 2.698 -9.057 13.331 313 H LEU 40 H LEU 40 1.518 -10.197 6.466 314 HA LEU 40 HA LEU 40 1.294 -7.407 7.045 315 HG LEU 40 HG LEU 40 3.680 -8.731 7.598 316 HB2 LEU 40 1HB LEU 40 2.973 -9.071 5.199 317 HB3 LEU 40 2HB LEU 40 2.954 -7.306 5.044 318 HD11 LEU 40 1HD1 LEU 40 6.018 -8.230 6.997 319 HD12 LEU 40 2HD1 LEU 40 5.476 -7.719 5.398 320 HD13 LEU 40 3HD1 LEU 40 5.268 -9.395 5.906 321 HD21 LEU 40 3HD2 LEU 40 2.915 -6.205 7.361 322 HD22 LEU 40 1HD2 LEU 40 4.597 -6.003 6.870 323 HD23 LEU 40 2HD2 LEU 40 4.217 -6.687 8.450 324 H CYS 41 H CYS 41 0.155 -9.522 4.514 325 HA CYS 41 HA CYS 41 -0.447 -7.595 2.562 326 HG CYS 41 HG CYS 41 -0.218 -11.792 1.983 327 HB2 CYS 41 1HB CYS 41 -1.936 -10.168 3.108 328 HB3 CYS 41 2HB CYS 41 -1.894 -9.277 1.578 329 H GLU 42 H GLU 42 -2.208 -8.705 5.389 330 HA GLU 42 HA GLU 42 -4.656 -7.395 4.730 331 HE2 GLU 42 HE2 GLU 42 -7.596 -6.122 8.170 332 HB2 GLU 42 1HB GLU 42 -3.963 -9.310 6.524 333 HB3 GLU 42 2HB GLU 42 -4.062 -7.891 7.580 334 HG2 GLU 42 1HG GLU 42 -6.319 -8.153 5.731 335 HG3 GLU 42 2HG GLU 42 -6.157 -9.486 6.883 336 H GLU 43 H GLU 43 -1.727 -6.471 6.382 337 HA GLU 43 HA GLU 43 -2.643 -4.236 7.788 338 HE2 GLU 43 HE2 GLU 43 0.665 -3.213 10.691 339 HB2 GLU 43 1HB GLU 43 0.055 -4.727 6.505 340 HB3 GLU 43 2HB GLU 43 -0.290 -3.449 7.681 341 HG2 GLU 43 1HG GLU 43 -1.094 -6.098 8.606 342 HG3 GLU 43 2HG GLU 43 0.637 -5.962 8.261 343 H ALA 44 H ALA 44 -1.780 -4.648 4.417 344 HA ALA 44 HA ALA 44 -1.477 -2.038 3.581 345 HB1 ALA 44 3HB ALA 44 -2.110 -4.576 2.338 346 HB2 ALA 44 1HB ALA 44 -2.897 -3.226 1.520 347 HB3 ALA 44 2HB ALA 44 -1.146 -3.231 1.730 348 H ALA 45 H ALA 45 -4.478 -3.857 4.068 349 HA ALA 45 HA ALA 45 -6.167 -1.723 3.178 350 HB1 ALA 45 3HB ALA 45 -6.488 -4.462 4.002 351 HB2 ALA 45 1HB ALA 45 -7.698 -3.432 4.769 352 HB3 ALA 45 2HB ALA 45 -7.545 -3.457 3.012 353 H LYS 46 H LYS 46 -4.646 -2.567 6.153 354 HA LYS 46 HA LYS 46 -6.436 -1.092 7.850 355 HB2 LYS 46 1HB LYS 46 -4.270 -2.913 8.188 356 HB3 LYS 46 2HB LYS 46 -3.878 -1.429 9.071 357 HG2 LYS 46 1HG LYS 46 -6.626 -2.435 9.447 358 HG3 LYS 46 2HG LYS 46 -5.328 -3.456 10.092 359 HD2 LYS 46 1HD LYS 46 -4.653 -1.894 11.632 360 HD3 LYS 46 2HD LYS 46 -5.222 -0.535 10.648 361 HE2 LYS 46 1HE LYS 46 -6.690 -0.650 12.508 362 HE3 LYS 46 2HE LYS 46 -7.574 -1.321 11.129 363 HZ1 LYS 46 3HZ LYS 46 -7.977 -2.827 12.821 364 HZ2 LYS 46 1HZ LYS 46 -6.400 -2.746 13.429 365 HZ3 LYS 46 2HZ LYS 46 -6.706 -3.562 11.980 366 H LYS 47 H LYS 47 -3.182 -0.551 6.530 367 HA LYS 47 HA LYS 47 -2.743 1.957 7.715 368 HB2 LYS 47 1HB LYS 47 -1.677 0.870 5.096 369 HB3 LYS 47 2HB LYS 47 -1.023 2.262 5.973 370 HG2 LYS 47 1HG LYS 47 -1.150 -0.535 7.099 371 HG3 LYS 47 2HG LYS 47 0.264 0.161 6.288 372 HD2 LYS 47 1HD LYS 47 0.593 1.771 7.976 373 HD3 LYS 47 2HD LYS 47 -1.029 1.512 8.642 374 HE2 LYS 47 1HE LYS 47 1.227 -0.509 8.684 375 HE3 LYS 47 2HE LYS 47 0.722 0.505 10.043 376 HZ1 LYS 47 3HZ LYS 47 -0.491 -1.322 10.517 377 HZ2 LYS 47 1HZ LYS 47 -0.566 -1.848 8.910 378 HZ3 LYS 47 2HZ LYS 47 -1.593 -0.615 9.445 379 H ALA 48 H ALA 48 -3.864 1.166 4.423 380 HA ALA 48 HA ALA 48 -4.308 3.782 3.562 381 HB1 ALA 48 3HB ALA 48 -5.617 2.845 1.795 382 HB2 ALA 48 1HB ALA 48 -4.277 1.746 2.121 383 HB3 ALA 48 2HB ALA 48 -5.894 1.365 2.714 384 H GLU 49 H GLU 49 -6.595 1.474 5.020 385 HA GLU 49 HA GLU 49 -8.846 3.129 4.989 386 HE2 GLU 49 HE2 GLU 49 -12.499 2.467 4.799 387 HB2 GLU 49 1HB GLU 49 -8.896 0.699 5.448 388 HB3 GLU 49 2HB GLU 49 -8.150 1.003 7.024 389 HG2 GLU 49 1HG GLU 49 -10.338 0.855 7.642 390 HG3 GLU 49 2HG GLU 49 -10.206 2.595 7.345 391 H GLU 50 H GLU 50 -6.219 2.850 7.318 392 HA GLU 50 HA GLU 50 -7.420 4.568 9.262 393 HE2 GLU 50 HE2 GLU 50 -6.438 2.939 13.596 394 HB2 GLU 50 1HB GLU 50 -5.576 2.784 9.591 395 HB3 GLU 50 2HB GLU 50 -4.467 4.052 9.047 396 HG2 GLU 50 1HG GLU 50 -4.342 4.380 11.294 397 HG3 GLU 50 2HG GLU 50 -5.688 5.458 10.902 398 H LEU 51 H LEU 51 -5.263 5.006 6.538 399 HA LEU 51 HA LEU 51 -4.524 7.688 7.177 400 HG LEU 51 HG LEU 51 -2.830 5.606 6.669 401 HB2 LEU 51 1HB LEU 51 -4.416 6.144 4.581 402 HB3 LEU 51 2HB LEU 51 -3.718 7.754 4.826 403 HD11 LEU 51 1HD1 LEU 51 -2.773 5.232 3.855 404 HD12 LEU 51 2HD1 LEU 51 -2.060 4.228 5.117 405 HD13 LEU 51 3HD1 LEU 51 -1.126 5.544 4.406 406 HD21 LEU 51 3HD2 LEU 51 -0.623 6.841 5.982 407 HD22 LEU 51 1HD2 LEU 51 -1.756 7.588 7.110 408 HD23 LEU 51 2HD2 LEU 51 -1.741 8.084 5.417 409 H PHE 52 H PHE 52 -6.897 6.231 4.982 410 HA PHE 52 HA PHE 52 -7.844 8.528 3.754 411 HD1 PHE 52 HD2 PHE 52 -9.500 8.963 2.268 412 HD2 PHE 52 HD1 PHE 52 -11.563 5.811 4.250 413 HE1 PHE 52 HE2 PHE 52 -11.642 9.859 1.457 414 HE2 PHE 52 HE1 PHE 52 -13.708 6.702 3.440 415 HZ PHE 52 HZ PHE 52 -13.750 8.731 2.043 416 HB2 PHE 52 1HB PHE 52 -8.529 6.366 2.963 417 HB3 PHE 52 2HB PHE 52 -9.291 5.987 4.509 418 H LYS 53 H LYS 53 -8.433 7.308 6.961 419 HA LYS 53 HA LYS 53 -10.748 8.762 7.597 420 HB2 LYS 53 1HB LYS 53 -8.480 7.744 9.318 421 HB3 LYS 53 2HB LYS 53 -9.939 8.496 9.981 422 HG2 LYS 53 1HG LYS 53 -10.109 6.131 8.137 423 HG3 LYS 53 2HG LYS 53 -9.830 5.939 9.878 424 HD2 LYS 53 1HD LYS 53 -11.896 7.519 10.117 425 HD3 LYS 53 2HD LYS 53 -12.234 7.009 8.454 426 HE2 LYS 53 1HE LYS 53 -11.762 4.600 9.537 427 HE3 LYS 53 2HE LYS 53 -12.333 5.456 10.976 428 HZ1 LYS 53 3HZ LYS 53 -13.869 4.366 8.940 429 HZ2 LYS 53 1HZ LYS 53 -14.025 6.045 8.798 430 HZ3 LYS 53 2HZ LYS 53 -14.406 5.280 10.258 431 H LEU 54 H LEU 54 -7.314 9.576 7.958 432 HA LEU 54 HA LEU 54 -7.759 12.095 9.183 433 HG LEU 54 HG LEU 54 -4.206 11.871 9.905 434 HB2 LEU 54 1HB LEU 54 -5.541 10.483 8.440 435 HB3 LEU 54 2HB LEU 54 -5.310 12.090 7.726 436 HD11 LEU 54 1HD1 LEU 54 -4.969 13.931 10.837 437 HD12 LEU 54 2HD1 LEU 54 -6.545 13.762 10.064 438 HD13 LEU 54 3HD1 LEU 54 -5.107 14.046 9.083 439 HD21 LEU 54 3HD2 LEU 54 -5.307 11.393 11.885 440 HD22 LEU 54 1HD2 LEU 54 -6.081 10.292 10.745 441 HD23 LEU 54 2HD2 LEU 54 -6.893 11.785 11.219 442 H ALA 55 H ALA 55 -7.718 10.999 5.890 443 HA ALA 55 HA ALA 55 -7.181 13.326 4.493 444 HB1 ALA 55 3HB ALA 55 -7.713 12.091 2.716 445 HB2 ALA 55 1HB ALA 55 -8.047 10.782 3.851 446 HB3 ALA 55 2HB ALA 55 -9.358 11.825 3.295 447 H GLU 56 H GLU 56 -10.011 12.447 6.312 448 HA GLU 56 HA GLU 56 -11.838 14.270 5.176 449 HE2 GLU 56 HE2 GLU 56 -15.518 11.904 8.266 450 HB2 GLU 56 1HB GLU 56 -12.757 12.545 6.491 451 HB3 GLU 56 2HB GLU 56 -11.685 12.906 7.852 452 HG2 GLU 56 1HG GLU 56 -12.998 14.555 8.651 453 HG3 GLU 56 2HG GLU 56 -13.494 15.080 7.036 454 H GLU 57 H GLU 57 -9.661 14.529 7.967 455 HA GLU 57 HA GLU 57 -10.448 17.143 8.706 456 HE2 GLU 57 HE2 GLU 57 -6.733 16.895 13.184 457 HB2 GLU 57 1HB GLU 57 -9.228 15.508 10.166 458 HB3 GLU 57 2HB GLU 57 -7.773 15.837 9.213 459 HG2 GLU 57 1HG GLU 57 -8.113 18.290 9.827 460 HG3 GLU 57 2HG GLU 57 -9.265 17.695 11.032 461 H ARG 58 H ARG 58 -7.962 15.897 6.546 462 HA ARG 58 HA ARG 58 -6.798 18.477 6.057 463 HE ARG 58 HE ARG 58 -4.652 13.856 4.394 464 HB2 ARG 58 1HB ARG 58 -6.478 15.793 4.703 465 HB3 ARG 58 2HB ARG 58 -5.588 17.244 4.217 466 HG2 ARG 58 1HG ARG 58 -4.088 16.979 5.832 467 HG3 ARG 58 2HG ARG 58 -5.356 16.791 7.056 468 HD2 ARG 58 1HD ARG 58 -4.012 14.785 7.007 469 HD3 ARG 58 2HD ARG 58 -5.624 14.430 6.372 470 HH11 ARG 58 1HH1 ARG 58 -2.463 15.923 6.142 471 HH12 ARG 58 2HH1 ARG 58 -1.182 15.763 4.987 472 HH21 ARG 58 1HH2 ARG 58 -2.973 13.637 2.866 473 HH22 ARG 58 2HH2 ARG 58 -1.473 14.462 3.123 474 H LEU 59 H LEU 59 -9.472 16.727 4.842 475 HA LEU 59 HA LEU 59 -9.582 18.339 2.397 476 HG LEU 59 HG LEU 59 -12.673 17.184 1.908 477 HB2 LEU 59 1HB LEU 59 -9.903 15.983 2.050 478 HB3 LEU 59 2HB LEU 59 -11.156 15.936 3.303 479 HD11 LEU 59 1HD1 LEU 59 -11.846 17.537 -0.542 480 HD12 LEU 59 2HD1 LEU 59 -10.250 17.553 0.209 481 HD13 LEU 59 3HD1 LEU 59 -11.469 18.727 0.704 482 HD21 LEU 59 3HD2 LEU 59 -12.945 15.595 0.054 483 HD22 LEU 59 1HD2 LEU 59 -12.624 14.779 1.585 484 HD23 LEU 59 2HD2 LEU 59 -11.339 14.945 0.388 485 H LYS 60 H LYS 60 -12.218 17.104 4.419 486 HA LYS 60 HA LYS 60 -13.485 19.734 4.284 487 HB2 LYS 60 1HB LYS 60 -15.471 18.500 5.236 488 HB3 LYS 60 2HB LYS 60 -14.940 17.967 3.633 489 HG2 LYS 60 1HG LYS 60 -13.563 16.423 5.600 490 HG3 LYS 60 2HG LYS 60 -15.297 16.416 5.963 491 HD2 LYS 60 1HD LYS 60 -14.662 16.062 3.114 492 HD3 LYS 60 2HD LYS 60 -14.072 14.767 4.170 493 HE2 LYS 60 1HE LYS 60 -16.798 15.572 4.824 494 HE3 LYS 60 2HE LYS 60 -16.631 15.012 3.153 495 HZ1 LYS 60 3HZ LYS 60 -16.131 13.535 5.652 496 HZ2 LYS 60 1HZ LYS 60 -15.355 13.065 4.223 497 HZ3 LYS 60 2HZ LYS 60 -17.044 13.074 4.304 498 H LYS 61 H LYS 61 -15.023 19.892 6.451 499 HA LYS 61 HA LYS 61 -13.069 20.155 8.619 500 HB2 LYS 61 1HB LYS 61 -14.843 21.618 9.657 501 HB3 LYS 61 2HB LYS 61 -14.156 22.215 8.139 502 HG2 LYS 61 1HG LYS 61 -16.544 20.553 7.786 503 HG3 LYS 61 2HG LYS 61 -16.816 22.045 8.703 504 HD2 LYS 61 1HD LYS 61 -15.885 23.383 6.918 505 HD3 LYS 61 2HD LYS 61 -15.440 21.923 6.020 506 HE2 LYS 61 1HE LYS 61 -17.403 22.472 4.956 507 HE3 LYS 61 2HE LYS 61 -18.002 21.390 6.222 508 HZ1 LYS 61 3HZ LYS 61 -19.300 23.032 6.902 509 HZ2 LYS 61 1HZ LYS 61 -18.622 24.108 5.787 510 HZ3 LYS 61 2HZ LYS 61 -17.933 23.935 7.321 511 H LEU 62 H LEU 62 -13.079 17.982 9.308 512 HA LEU 62 HA LEU 62 -15.248 16.381 9.867 513 HG LEU 62 HG LEU 62 -14.161 14.113 10.205 514 HB2 LEU 62 1HB LEU 62 -12.645 16.009 10.068 515 HB3 LEU 62 2HB LEU 62 -12.956 16.394 11.769 516 HD11 LEU 62 1HD1 LEU 62 -11.772 13.872 10.841 517 HD12 LEU 62 2HD1 LEU 62 -12.834 12.691 11.606 518 HD13 LEU 62 3HD1 LEU 62 -12.243 14.072 12.529 519 HD21 LEU 62 3HD2 LEU 62 -15.845 14.557 11.689 520 HD22 LEU 62 1HD2 LEU 62 -14.757 15.270 12.882 521 HD23 LEU 62 2HD2 LEU 62 -14.822 13.519 12.683 522 HA MET 1 HA MET 1 14.382 -19.501 -13.117 523 H1 MET 1 1H MET 1 14.893 -17.435 -14.015 524 HB2 MET 1 1HB MET 1 15.251 -18.244 -10.505 525 HB3 MET 1 2HB MET 1 14.725 -19.924 -10.686 526 HG2 MET 1 1HG MET 1 16.701 -20.593 -11.485 527 HG3 MET 1 2HG MET 1 16.836 -19.188 -12.545 528 HE1 MET 1 3HE MET 1 18.676 -17.177 -11.980 529 HE2 MET 1 1HE MET 1 17.040 -16.789 -11.446 530 HE3 MET 1 2HE MET 1 18.412 -16.472 -10.384 531 H LYS 2 H LYS 2 12.375 -18.176 -13.879 532 HA LYS 2 HA LYS 2 10.564 -17.581 -11.663 533 HB2 LYS 2 1HB LYS 2 9.155 -16.509 -13.240 534 HB3 LYS 2 2HB LYS 2 10.811 -16.043 -13.660 535 HG2 LYS 2 1HG LYS 2 10.648 -18.113 -15.278 536 HG3 LYS 2 2HG LYS 2 8.910 -17.803 -15.120 537 HD2 LYS 2 1HD LYS 2 10.946 -15.708 -15.905 538 HD3 LYS 2 2HD LYS 2 9.975 -16.645 -17.055 539 HE2 LYS 2 1HE LYS 2 7.911 -15.775 -15.945 540 HE3 LYS 2 2HE LYS 2 8.950 -14.748 -14.946 541 HZ1 LYS 2 3HZ LYS 2 7.940 -13.752 -17.052 542 HZ2 LYS 2 1HZ LYS 2 9.107 -14.644 -17.892 543 HZ3 LYS 2 2HZ LYS 2 9.584 -13.477 -16.764 544 H LYS 3 H LYS 3 8.128 -18.159 -12.817 545 HA LYS 3 HA LYS 3 7.843 -20.698 -13.940 546 HB2 LYS 3 1HB LYS 3 8.447 -20.705 -11.105 547 HB3 LYS 3 2HB LYS 3 6.858 -21.420 -11.420 548 HG2 LYS 3 1HG LYS 3 8.611 -22.483 -13.358 549 HG3 LYS 3 2HG LYS 3 9.448 -22.557 -11.796 550 HD2 LYS 3 1HD LYS 3 7.137 -23.477 -10.940 551 HD3 LYS 3 2HD LYS 3 6.912 -23.877 -12.652 552 HE2 LYS 3 1HE LYS 3 9.334 -24.699 -11.037 553 HE3 LYS 3 2HE LYS 3 7.902 -25.714 -11.267 554 HZ1 LYS 3 3HZ LYS 3 8.550 -24.965 -13.794 555 HZ2 LYS 3 1HZ LYS 3 8.942 -26.446 -13.078 556 HZ3 LYS 3 2HZ LYS 3 10.064 -25.182 -13.074 557 H LEU 4 H LEU 4 6.402 -18.708 -11.358 558 HA LEU 4 HA LEU 4 4.225 -17.815 -12.830 559 HG LEU 4 HG LEU 4 1.610 -20.347 -12.939 560 HB2 LEU 4 1HB LEU 4 3.947 -20.515 -12.279 561 HB3 LEU 4 2HB LEU 4 2.981 -19.723 -11.022 562 HD11 LEU 4 1HD1 LEU 4 0.759 -18.499 -11.790 563 HD12 LEU 4 2HD1 LEU 4 0.757 -18.000 -13.481 564 HD13 LEU 4 3HD1 LEU 4 2.022 -17.426 -12.394 565 HD21 LEU 4 3HD2 LEU 4 2.966 -20.336 -14.810 566 HD22 LEU 4 1HD2 LEU 4 3.660 -18.760 -14.429 567 HD23 LEU 4 2HD2 LEU 4 2.009 -18.871 -15.040 568 H ARG 5 H ARG 5 5.503 -18.777 -9.720 569 HA ARG 5 HA ARG 5 3.746 -17.200 -8.135 570 HE ARG 5 HE ARG 5 6.975 -21.862 -6.372 571 HB2 ARG 5 1HB ARG 5 6.549 -18.044 -7.389 572 HB3 ARG 5 2HB ARG 5 5.191 -17.704 -6.305 573 HG2 ARG 5 1HG ARG 5 4.825 -19.894 -6.254 574 HG3 ARG 5 2HG ARG 5 4.240 -19.734 -7.919 575 HD2 ARG 5 1HD ARG 5 6.114 -20.645 -8.823 576 HD3 ARG 5 2HD ARG 5 7.166 -19.936 -7.590 577 HH11 ARG 5 1HH1 ARG 5 4.434 -21.768 -8.749 578 HH12 ARG 5 2HH1 ARG 5 3.893 -23.381 -8.426 579 HH21 ARG 5 1HH2 ARG 5 6.273 -23.988 -5.938 580 HH22 ARG 5 2HH2 ARG 5 4.940 -24.644 -6.827 581 H GLU 6 H GLU 6 6.583 -16.515 -9.978 582 HA GLU 6 HA GLU 6 7.616 -14.287 -8.696 583 HE2 GLU 6 HE2 GLU 6 8.137 -11.245 -12.674 584 HB2 GLU 6 1HB GLU 6 8.361 -15.571 -10.864 585 HB3 GLU 6 2HB GLU 6 7.412 -14.319 -11.681 586 HG2 GLU 6 1HG GLU 6 9.123 -13.098 -9.731 587 HG3 GLU 6 2HG GLU 6 10.066 -14.164 -10.783 588 H GLU 7 H GLU 7 4.762 -14.595 -10.700 589 HA GLU 7 HA GLU 7 4.262 -11.929 -11.300 590 HE2 GLU 7 HE2 GLU 7 1.675 -12.183 -15.420 591 HB2 GLU 7 1HB GLU 7 2.430 -14.271 -10.806 592 HB3 GLU 7 2HB GLU 7 1.802 -12.673 -11.238 593 HG2 GLU 7 1HG GLU 7 3.945 -13.692 -12.983 594 HG3 GLU 7 2HG GLU 7 2.426 -14.599 -13.021 595 H ALA 8 H ALA 8 3.049 -13.801 -8.519 596 HA ALA 8 HA ALA 8 1.680 -11.775 -7.222 597 HB1 ALA 8 3HB ALA 8 1.244 -13.550 -5.957 598 HB2 ALA 8 1HB ALA 8 2.671 -14.399 -6.553 599 HB3 ALA 8 2HB ALA 8 2.807 -13.301 -5.179 600 H ALA 9 H ALA 9 5.104 -12.341 -7.441 601 HA ALA 9 HA ALA 9 5.917 -10.754 -5.241 602 HB1 ALA 9 3HB ALA 9 7.694 -10.961 -7.602 603 HB2 ALA 9 1HB ALA 9 8.044 -11.210 -5.891 604 HB3 ALA 9 2HB ALA 9 7.216 -12.464 -6.814 605 H LYS 10 H LYS 10 5.400 -10.045 -8.668 606 HA LYS 10 HA LYS 10 6.375 -7.406 -8.640 607 HB2 LYS 10 1HB LYS 10 4.147 -8.426 -10.407 608 HB3 LYS 10 2HB LYS 10 5.314 -7.141 -10.760 609 HG2 LYS 10 1HG LYS 10 6.861 -9.415 -10.237 610 HG3 LYS 10 2HG LYS 10 5.510 -9.965 -11.244 611 HD2 LYS 10 1HD LYS 10 6.865 -7.438 -12.041 612 HD3 LYS 10 2HD LYS 10 7.748 -8.956 -12.283 613 HE2 LYS 10 1HE LYS 10 5.800 -9.860 -13.530 614 HE3 LYS 10 2HE LYS 10 5.007 -8.288 -13.351 615 HZ1 LYS 10 3HZ LYS 10 7.201 -7.434 -14.435 616 HZ2 LYS 10 1HZ LYS 10 5.966 -8.071 -15.398 617 HZ3 LYS 10 2HZ LYS 10 7.312 -9.020 -15.013 618 H LEU 11 H LEU 11 3.281 -8.784 -7.768 619 HA LEU 11 HA LEU 11 1.638 -6.569 -7.799 620 HG LEU 11 HG LEU 11 1.403 -9.822 -7.855 621 HB2 LEU 11 1HB LEU 11 1.705 -8.759 -5.716 622 HB3 LEU 11 2HB LEU 11 0.349 -7.663 -6.031 623 HD11 LEU 11 1HD1 LEU 11 -1.180 -9.469 -6.345 624 HD12 LEU 11 2HD1 LEU 11 0.048 -10.708 -6.091 625 HD13 LEU 11 3HD1 LEU 11 -0.905 -10.702 -7.575 626 HD21 LEU 11 3HD2 LEU 11 -0.812 -7.831 -8.342 627 HD22 LEU 11 1HD2 LEU 11 -0.374 -9.179 -9.393 628 HD23 LEU 11 2HD2 LEU 11 0.757 -7.847 -9.149 629 H PHE 12 H PHE 12 3.878 -7.605 -5.254 630 HA PHE 12 HA PHE 12 3.234 -5.435 -3.509 631 HD1 PHE 12 HD1 PHE 12 2.483 -6.272 -1.732 632 HD2 PHE 12 HD2 PHE 12 5.123 -9.469 -2.697 633 HE1 PHE 12 HE1 PHE 12 1.004 -7.845 -0.553 634 HE2 PHE 12 HE2 PHE 12 3.647 -11.047 -1.520 635 HZ PHE 12 HZ PHE 12 1.584 -10.235 -0.447 636 HB2 PHE 12 1HB PHE 12 5.562 -7.370 -3.553 637 HB3 PHE 12 2HB PHE 12 5.290 -6.185 -2.274 638 H GLU 13 H GLU 13 5.405 -5.890 -6.161 639 HA GLU 13 HA GLU 13 7.354 -3.975 -5.617 640 HE2 GLU 13 HE2 GLU 13 10.211 -7.202 -7.603 641 HB2 GLU 13 1HB GLU 13 6.791 -5.679 -7.702 642 HB3 GLU 13 2HB GLU 13 6.526 -4.085 -8.428 643 HG2 GLU 13 1HG GLU 13 8.702 -3.718 -8.611 644 HG3 GLU 13 2HG GLU 13 8.954 -4.085 -6.898 645 H GLU 14 H GLU 14 4.141 -3.630 -7.032 646 HA GLU 14 HA GLU 14 4.455 -0.850 -7.641 647 HE2 GLU 14 HE2 GLU 14 1.675 -2.194 -12.117 648 HB2 GLU 14 1HB GLU 14 1.838 -2.318 -7.311 649 HB3 GLU 14 2HB GLU 14 2.172 -0.889 -8.301 650 HG2 GLU 14 1HG GLU 14 3.859 -2.532 -9.499 651 HG3 GLU 14 2HG GLU 14 2.755 -3.748 -8.842 652 H TRP 15 H TRP 15 3.200 -2.705 -4.944 653 HA TRP 15 HA TRP 15 1.786 -0.758 -3.574 654 HD1 TRP 15 HD1 TRP 15 1.003 -2.933 -4.876 655 HE1 TRP 15 HE1 TRP 15 -1.019 -4.482 -4.505 656 HE3 TRP 15 HE3 TRP 15 1.581 -3.841 0.122 657 HZ2 TRP 15 HZ2 TRP 15 -2.211 -5.900 -2.376 658 HZ3 TRP 15 HZ3 TRP 15 -0.042 -5.304 1.251 659 HH2 TRP 15 HH2 TRP 15 -1.900 -6.311 0.026 660 HB2 TRP 15 1HB TRP 15 3.448 -3.079 -2.586 661 HB3 TRP 15 2HB TRP 15 2.517 -2.054 -1.493 662 H LYS 16 H LYS 16 5.255 -1.509 -3.379 663 HA LYS 16 HA LYS 16 5.784 0.647 -1.559 664 HB2 LYS 16 1HB LYS 16 7.197 -1.274 -1.420 665 HB3 LYS 16 2HB LYS 16 7.578 -1.187 -3.147 666 HG2 LYS 16 1HG LYS 16 8.271 1.231 -1.632 667 HG3 LYS 16 2HG LYS 16 9.158 -0.230 -1.158 668 HD2 LYS 16 1HD LYS 16 10.051 -0.537 -3.313 669 HD3 LYS 16 2HD LYS 16 8.879 0.577 -4.039 670 HE2 LYS 16 1HE LYS 16 11.184 1.523 -3.832 671 HE3 LYS 16 2HE LYS 16 9.929 2.467 -3.016 672 HZ1 LYS 16 3HZ LYS 16 11.090 0.501 -1.295 673 HZ2 LYS 16 1HZ LYS 16 10.902 2.165 -1.056 674 HZ3 LYS 16 2HZ LYS 16 12.248 1.579 -1.895 675 H LYS 17 H LYS 17 5.663 0.257 -4.991 676 HA LYS 17 HA LYS 17 7.295 2.484 -5.686 677 HB2 LYS 17 1HB LYS 17 6.018 0.408 -7.048 678 HB3 LYS 17 2HB LYS 17 5.226 1.881 -7.632 679 HG2 LYS 17 1HG LYS 17 6.934 2.305 -8.973 680 HG3 LYS 17 2HG LYS 17 8.030 2.343 -7.580 681 HD2 LYS 17 1HD LYS 17 8.009 -0.227 -7.730 682 HD3 LYS 17 2HD LYS 17 7.317 0.018 -9.344 683 HE2 LYS 17 1HE LYS 17 9.773 1.555 -8.625 684 HE3 LYS 17 2HE LYS 17 9.932 -0.176 -8.957 685 HZ1 LYS 17 3HZ LYS 17 9.481 0.103 -11.132 686 HZ2 LYS 17 1HZ LYS 17 10.021 1.681 -10.846 687 HZ3 LYS 17 2HZ LYS 17 8.363 1.346 -10.873 688 H LEU 18 H LEU 18 3.792 2.028 -5.344 689 HA LEU 18 HA LEU 18 2.936 4.533 -6.167 690 HG LEU 18 HG LEU 18 1.834 2.179 -6.689 691 HB2 LEU 18 1HB LEU 18 1.818 2.720 -4.023 692 HB3 LEU 18 2HB LEU 18 0.979 4.142 -4.668 693 HD11 LEU 18 1HD1 LEU 18 -0.326 1.516 -4.692 694 HD12 LEU 18 2HD1 LEU 18 1.194 0.650 -4.916 695 HD13 LEU 18 3HD1 LEU 18 -0.018 0.649 -6.198 696 HD21 LEU 18 3HD2 LEU 18 0.503 3.773 -7.619 697 HD22 LEU 18 1HD2 LEU 18 -0.423 4.025 -6.139 698 HD23 LEU 18 2HD2 LEU 18 -0.744 2.616 -7.150 699 H ALA 19 H ALA 19 4.526 3.583 -3.238 700 HA ALA 19 HA ALA 19 3.799 5.738 -1.582 701 HB1 ALA 19 3HB ALA 19 5.165 3.495 -1.148 702 HB2 ALA 19 1HB ALA 19 6.524 4.606 -1.319 703 HB3 ALA 19 2HB ALA 19 5.294 4.901 -0.090 704 H GLU 20 H GLU 20 6.149 5.439 -4.145 705 HA GLU 20 HA GLU 20 7.693 7.728 -3.522 706 HE2 GLU 20 HE2 GLU 20 10.053 5.196 -7.936 707 HB2 GLU 20 1HB GLU 20 7.230 6.560 -6.272 708 HB3 GLU 20 2HB GLU 20 8.616 7.516 -5.727 709 HG2 GLU 20 1HG GLU 20 9.265 5.711 -4.195 710 HG3 GLU 20 2HG GLU 20 7.899 4.751 -4.779 711 H GLU 21 H GLU 21 4.997 7.228 -5.789 712 HA GLU 21 HA GLU 21 4.880 9.983 -6.545 713 HE2 GLU 21 HE2 GLU 21 3.933 8.485 -11.516 714 HB2 GLU 21 1HB GLU 21 2.752 7.858 -6.879 715 HB3 GLU 21 2HB GLU 21 2.889 9.377 -7.778 716 HG2 GLU 21 1HG GLU 21 5.319 7.838 -8.008 717 HG3 GLU 21 2HG GLU 21 3.910 6.889 -8.499 718 H ALA 22 H ALA 22 3.352 8.000 -4.113 719 HA ALA 22 HA ALA 22 1.302 9.892 -3.453 720 HB1 ALA 22 3HB ALA 22 1.228 8.389 -1.322 721 HB2 ALA 22 1HB ALA 22 0.683 7.753 -2.874 722 HB3 ALA 22 2HB ALA 22 2.285 7.338 -2.265 723 H ALA 23 H ALA 23 4.574 9.268 -2.404 724 HA ALA 23 HA ALA 23 4.461 10.803 -0.009 725 HB1 ALA 23 3HB ALA 23 7.058 10.820 -0.474 726 HB2 ALA 23 1HB ALA 23 6.228 9.357 0.059 727 HB3 ALA 23 2HB ALA 23 6.618 9.578 -1.647 728 H LYS 24 H LYS 24 5.799 11.486 -3.240 729 HA LYS 24 HA LYS 24 6.561 14.136 -2.707 730 HB2 LYS 24 1HB LYS 24 6.566 14.416 -5.178 731 HB3 LYS 24 2HB LYS 24 7.441 12.977 -4.630 732 HG2 LYS 24 1HG LYS 24 6.289 11.947 -6.256 733 HG3 LYS 24 2HG LYS 24 4.991 11.925 -5.050 734 HD2 LYS 24 1HD LYS 24 4.012 12.760 -7.039 735 HD3 LYS 24 2HD LYS 24 4.254 14.161 -5.978 736 HE2 LYS 24 1HE LYS 24 5.598 15.156 -7.459 737 HE3 LYS 24 2HE LYS 24 6.587 13.696 -7.610 738 HZ1 LYS 24 3HZ LYS 24 4.838 14.746 -9.486 739 HZ2 LYS 24 1HZ LYS 24 4.125 13.314 -8.935 740 HZ3 LYS 24 2HZ LYS 24 5.689 13.287 -9.577 741 H LEU 25 H LEU 25 3.531 12.745 -3.836 742 HA LEU 25 HA LEU 25 2.299 15.282 -4.358 743 HG LEU 25 HG LEU 25 2.158 13.359 -6.484 744 HB2 LEU 25 1HB LEU 25 1.444 12.428 -4.351 745 HB3 LEU 25 2HB LEU 25 0.194 13.676 -4.215 746 HD11 LEU 25 1HD1 LEU 25 0.177 11.742 -6.219 747 HD12 LEU 25 2HD1 LEU 25 0.398 12.550 -7.770 748 HD13 LEU 25 3HD1 LEU 25 -0.825 13.131 -6.641 749 HD21 LEU 25 3HD2 LEU 25 0.788 15.664 -5.584 750 HD22 LEU 25 1HD2 LEU 25 -0.009 15.117 -7.060 751 HD23 LEU 25 2HD2 LEU 25 1.722 15.454 -7.067 752 H LEU 26 H LEU 26 2.355 12.990 -1.688 753 HA LEU 26 HA LEU 26 0.280 13.900 -0.127 754 HG LEU 26 HG LEU 26 0.438 11.483 0.254 755 HB2 LEU 26 1HB LEU 26 2.826 12.510 0.336 756 HB3 LEU 26 2HB LEU 26 2.204 13.391 1.743 757 HD11 LEU 26 1HD1 LEU 26 2.784 10.834 1.903 758 HD12 LEU 26 2HD1 LEU 26 1.936 9.867 0.695 759 HD13 LEU 26 3HD1 LEU 26 1.294 9.993 2.333 760 HD21 LEU 26 3HD2 LEU 26 -0.219 13.175 2.148 761 HD22 LEU 26 1HD2 LEU 26 0.470 11.937 3.199 762 HD23 LEU 26 2HD2 LEU 26 -0.877 11.539 2.132 763 H GLU 27 H GLU 27 3.609 15.141 -0.230 764 HA GLU 27 HA GLU 27 2.811 17.399 1.450 765 HE2 GLU 27 HE2 GLU 27 7.709 16.842 3.689 766 HB2 GLU 27 1HB GLU 27 5.578 16.814 0.395 767 HB3 GLU 27 2HB GLU 27 5.127 17.837 1.769 768 HG2 GLU 27 1HG GLU 27 4.113 15.534 2.648 769 HG3 GLU 27 2HG GLU 27 5.387 14.895 1.598 770 H GLY 28 H GLY 28 2.349 16.823 -1.596 771 HA2 GLY 28 1HA GLY 28 3.701 18.775 -3.082 772 HA3 GLY 28 2HA GLY 28 2.132 18.096 -3.491 773 H GLY 29 H GLY 29 1.366 19.175 -0.644 774 HA2 GLY 29 1HA GLY 29 1.397 21.760 -0.189 775 HA3 GLY 29 2HA GLY 29 0.478 21.764 -1.687 776 H GLY 30 H GLY 30 0.417 19.641 1.179 777 HA2 GLY 30 1HA GLY 30 -2.484 20.179 1.347 778 HA3 GLY 30 2HA GLY 30 -1.737 18.651 1.791 779 H GLY 31 H GLY 31 0.516 20.013 3.137 780 HA2 GLY 31 1HA GLY 31 -0.012 21.794 5.088 781 HA3 GLY 31 2HA GLY 31 -0.797 20.345 5.699 782 H GLY 32 H GLY 32 1.186 18.538 4.545 783 HA2 GLY 32 1HA GLY 32 3.250 17.633 5.022 784 HA3 GLY 32 2HA GLY 32 3.764 19.226 5.558 785 H GLY 33 H GLY 33 4.682 18.880 7.491 786 HA2 GLY 33 1HA GLY 33 3.408 18.675 9.842 787 HA3 GLY 33 2HA GLY 33 3.522 16.988 9.362 788 H GLY 34 H GLY 34 5.803 16.302 8.682 789 HA2 GLY 34 1HA GLY 34 8.108 16.284 9.046 790 HA3 GLY 34 2HA GLY 34 7.946 17.757 9.990 791 H GLY 35 H GLY 35 6.666 14.431 10.237 792 HA2 GLY 35 1HA GLY 35 8.147 13.766 12.543 793 HA3 GLY 35 2HA GLY 35 6.574 14.378 13.033 794 H GLU 36 H GLU 36 5.593 12.567 13.754 795 HA GLU 36 HA GLU 36 5.854 10.015 12.569 796 HE2 GLU 36 HE2 GLU 36 1.885 11.402 17.340 797 HB2 GLU 36 1HB GLU 36 4.280 9.262 14.129 798 HB3 GLU 36 2HB GLU 36 5.085 10.611 14.945 799 HG2 GLU 36 1HG GLU 36 2.996 11.866 13.694 800 HG3 GLU 36 2HG GLU 36 2.300 10.301 14.137 801 H LEU 37 H LEU 37 4.071 12.753 11.660 802 HA LEU 37 HA LEU 37 1.746 11.734 10.560 803 HG LEU 37 HG LEU 37 1.408 12.937 8.116 804 HB2 LEU 37 1HB LEU 37 2.025 14.079 10.639 805 HB3 LEU 37 2HB LEU 37 3.531 13.996 9.709 806 HD11 LEU 37 1HD1 LEU 37 -0.241 14.502 8.136 807 HD12 LEU 37 2HD1 LEU 37 0.822 15.782 8.719 808 HD13 LEU 37 3HD1 LEU 37 0.216 14.562 9.839 809 HD21 LEU 37 3HD2 LEU 37 3.116 15.415 7.937 810 HD22 LEU 37 1HD2 LEU 37 2.078 14.818 6.642 811 HD23 LEU 37 2HD2 LEU 37 3.437 13.843 7.202 812 H MET 38 H MET 38 4.808 12.309 8.813 813 HA MET 38 HA MET 38 3.981 10.903 6.493 814 HB2 MET 38 1HB MET 38 5.674 12.565 6.257 815 HB3 MET 38 2HB MET 38 6.692 11.787 7.479 816 HG2 MET 38 1HG MET 38 7.013 9.859 5.991 817 HG3 MET 38 2HG MET 38 6.019 10.659 4.771 818 HE1 MET 38 3HE MET 38 6.334 13.040 4.270 819 HE2 MET 38 1HE MET 38 7.810 13.984 4.477 820 HE3 MET 38 2HE MET 38 7.600 12.978 3.043 821 H LYS 39 H LYS 39 5.565 9.962 9.451 822 HA LYS 39 HA LYS 39 6.712 7.543 8.680 823 HB2 LYS 39 1HB LYS 39 7.245 8.386 10.826 824 HB3 LYS 39 2HB LYS 39 5.540 8.474 11.294 825 HG2 LYS 39 1HG LYS 39 6.400 5.773 10.579 826 HG3 LYS 39 2HG LYS 39 7.277 6.465 11.955 827 HD2 LYS 39 1HD LYS 39 4.808 7.178 12.677 828 HD3 LYS 39 2HD LYS 39 4.406 5.758 11.696 829 HE2 LYS 39 1HE LYS 39 4.731 4.665 13.658 830 HE3 LYS 39 2HE LYS 39 6.420 4.731 13.135 831 HZ1 LYS 39 3HZ LYS 39 5.740 7.112 14.501 832 HZ2 LYS 39 1HZ LYS 39 6.924 5.966 14.885 833 HZ3 LYS 39 2HZ LYS 39 5.345 5.775 15.459 834 H LEU 40 H LEU 40 3.388 8.374 9.333 835 HA LEU 40 HA LEU 40 2.421 5.705 9.565 836 HG LEU 40 HG LEU 40 1.714 7.609 11.468 837 HB2 LEU 40 1HB LEU 40 1.161 8.391 9.133 838 HB3 LEU 40 2HB LEU 40 0.198 6.913 8.959 839 HD11 LEU 40 1HD1 LEU 40 -0.469 8.297 12.380 840 HD12 LEU 40 2HD1 LEU 40 -1.167 8.149 10.768 841 HD13 LEU 40 3HD1 LEU 40 0.087 9.350 11.079 842 HD21 LEU 40 3HD2 LEU 40 0.841 5.208 10.762 843 HD22 LEU 40 1HD2 LEU 40 -0.680 5.857 11.378 844 HD23 LEU 40 2HD2 LEU 40 0.738 5.788 12.426 845 H CYS 41 H CYS 41 2.608 8.037 6.908 846 HA CYS 41 HA CYS 41 1.328 6.307 5.021 847 HG CYS 41 HG CYS 41 1.321 10.568 4.900 848 HB2 CYS 41 1HB CYS 41 3.091 8.691 4.446 849 HB3 CYS 41 2HB CYS 41 1.869 7.985 3.377 850 H GLU 42 H GLU 42 4.601 6.870 6.067 851 HA GLU 42 HA GLU 42 5.934 5.708 3.861 852 HE2 GLU 42 HE2 GLU 42 10.067 3.544 4.475 853 HB2 GLU 42 1HB GLU 42 6.735 7.069 6.066 854 HB3 GLU 42 2HB GLU 42 7.190 5.418 6.517 855 HG2 GLU 42 1HG GLU 42 7.969 6.160 3.792 856 HG3 GLU 42 2HG GLU 42 8.724 7.136 5.060 857 H GLU 43 H GLU 43 4.283 4.374 6.595 858 HA GLU 43 HA GLU 43 5.467 1.877 6.830 859 HE2 GLU 43 HE2 GLU 43 3.744 0.122 10.644 860 HB2 GLU 43 1HB GLU 43 2.550 2.635 7.123 861 HB3 GLU 43 2HB GLU 43 3.254 1.107 7.675 862 HG2 GLU 43 1HG GLU 43 4.688 3.439 8.678 863 HG3 GLU 43 2HG GLU 43 2.988 3.395 9.167 864 H ALA 44 H ALA 44 3.166 3.061 4.462 865 HA ALA 44 HA ALA 44 2.268 0.712 3.326 866 HB1 ALA 44 3HB ALA 44 2.462 3.489 2.524 867 HB2 ALA 44 1HB ALA 44 2.644 2.391 1.155 868 HB3 ALA 44 2HB ALA 44 1.209 2.297 2.177 869 H ALA 45 H ALA 45 5.297 2.439 2.711 870 HA ALA 45 HA ALA 45 6.164 0.632 0.666 871 HB1 ALA 45 3HB ALA 45 7.088 3.096 1.834 872 HB2 ALA 45 1HB ALA 45 8.414 1.945 1.672 873 HB3 ALA 45 2HB ALA 45 7.457 2.392 0.259 874 H LYS 46 H LYS 46 6.301 0.684 4.109 875 HA LYS 46 HA LYS 46 8.547 -1.062 4.402 876 HB2 LYS 46 1HB LYS 46 6.844 0.458 6.105 877 HB3 LYS 46 2HB LYS 46 6.812 -1.222 6.664 878 HG2 LYS 46 1HG LYS 46 9.487 -0.146 6.036 879 HG3 LYS 46 2HG LYS 46 8.658 0.584 7.424 880 HD2 LYS 46 1HD LYS 46 8.666 -1.361 8.645 881 HD3 LYS 46 2HD LYS 46 8.675 -2.384 7.199 882 HE2 LYS 46 1HE LYS 46 10.818 -2.631 8.183 883 HE3 LYS 46 2HE LYS 46 11.029 -1.573 6.780 884 HZ1 LYS 46 3HZ LYS 46 12.212 -0.513 8.446 885 HZ2 LYS 46 1HZ LYS 46 11.066 -0.860 9.641 886 HZ3 LYS 46 2HZ LYS 46 10.736 0.313 8.470 887 H LYS 47 H LYS 47 5.026 -1.490 4.520 888 HA LYS 47 HA LYS 47 5.015 -4.227 5.130 889 HB2 LYS 47 1HB LYS 47 3.003 -2.625 3.531 890 HB3 LYS 47 2HB LYS 47 2.715 -4.223 4.238 891 HG2 LYS 47 1HG LYS 47 3.417 -1.765 5.843 892 HG3 LYS 47 2HG LYS 47 1.766 -2.341 5.551 893 HD2 LYS 47 1HD LYS 47 2.108 -4.323 6.779 894 HD3 LYS 47 2HD LYS 47 3.868 -4.113 6.764 895 HE2 LYS 47 1HE LYS 47 1.901 -2.319 8.208 896 HE3 LYS 47 2HE LYS 47 2.889 -3.583 8.956 897 HZ1 LYS 47 3HZ LYS 47 4.248 -1.833 9.314 898 HZ2 LYS 47 1HZ LYS 47 3.672 -0.947 7.993 899 HZ3 LYS 47 2HZ LYS 47 4.786 -2.197 7.752 900 H ALA 48 H ALA 48 4.698 -2.618 1.964 901 HA ALA 48 HA ALA 48 4.644 -4.936 0.404 902 HB1 ALA 48 3HB ALA 48 5.107 -3.530 -1.473 903 HB2 ALA 48 1HB ALA 48 4.067 -2.633 -0.365 904 HB3 ALA 48 2HB ALA 48 5.794 -2.281 -0.435 905 H GLU 49 H GLU 49 7.400 -2.864 1.291 906 HA GLU 49 HA GLU 49 9.382 -4.269 -0.079 907 HE2 GLU 49 HE2 GLU 49 12.640 -3.271 -1.571 908 HB2 GLU 49 1HB GLU 49 9.690 -2.035 0.936 909 HB3 GLU 49 2HB GLU 49 9.661 -2.784 2.540 910 HG2 GLU 49 1HG GLU 49 11.911 -2.614 2.223 911 HG3 GLU 49 2HG GLU 49 11.616 -4.227 1.559 912 H GLU 50 H GLU 50 7.967 -4.808 3.098 913 HA GLU 50 HA GLU 50 9.823 -6.840 3.866 914 HE2 GLU 50 HE2 GLU 50 10.741 -6.438 8.494 915 HB2 GLU 50 1HB GLU 50 8.317 -5.367 5.367 916 HB3 GLU 50 2HB GLU 50 7.054 -6.553 5.001 917 HG2 GLU 50 1HG GLU 50 7.855 -7.442 6.934 918 HG3 GLU 50 2HG GLU 50 8.899 -8.264 5.766 919 H LEU 51 H LEU 51 6.753 -6.776 2.194 920 HA LEU 51 HA LEU 51 6.249 -9.578 2.365 921 HG LEU 51 HG LEU 51 4.554 -7.561 3.078 922 HB2 LEU 51 1HB LEU 51 5.193 -7.470 0.474 923 HB3 LEU 51 2HB LEU 51 4.595 -9.135 0.567 924 HD11 LEU 51 1HD1 LEU 51 3.441 -6.507 0.687 925 HD12 LEU 51 2HD1 LEU 51 3.309 -5.888 2.332 926 HD13 LEU 51 3HD1 LEU 51 2.120 -7.040 1.727 927 HD21 LEU 51 3HD2 LEU 51 2.207 -8.719 2.990 928 HD22 LEU 51 1HD2 LEU 51 3.654 -9.653 3.374 929 HD23 LEU 51 2HD2 LEU 51 2.973 -9.711 1.749 930 H PHE 52 H PHE 52 7.664 -7.467 -0.104 931 HA PHE 52 HA PHE 52 7.986 -9.304 -2.151 932 HD1 PHE 52 HD2 PHE 52 8.950 -9.237 -4.202 933 HD2 PHE 52 HD1 PHE 52 11.739 -6.596 -2.369 934 HE1 PHE 52 HE2 PHE 52 10.594 -9.764 -5.954 935 HE2 PHE 52 HE1 PHE 52 13.387 -7.118 -4.119 936 HZ PHE 52 HZ PHE 52 12.816 -8.703 -5.915 937 HB2 PHE 52 1HB PHE 52 8.423 -6.974 -2.539 938 HB3 PHE 52 2HB PHE 52 9.722 -6.967 -1.344 939 H LYS 53 H LYS 53 9.746 -8.966 0.824 940 HA LYS 53 HA LYS 53 12.092 -10.348 0.177 941 HB2 LYS 53 1HB LYS 53 10.585 -10.083 2.783 942 HB3 LYS 53 2HB LYS 53 12.172 -10.858 2.653 943 HG2 LYS 53 1HG LYS 53 11.726 -8.053 1.675 944 HG3 LYS 53 2HG LYS 53 12.079 -8.404 3.376 945 HD2 LYS 53 1HD LYS 53 14.070 -9.790 2.404 946 HD3 LYS 53 2HD LYS 53 13.811 -8.785 0.968 947 HE2 LYS 53 1HE LYS 53 13.790 -6.854 2.832 948 HE3 LYS 53 2HE LYS 53 14.817 -8.039 3.653 949 HZ1 LYS 53 3HZ LYS 53 15.557 -6.262 1.657 950 HZ2 LYS 53 1HZ LYS 53 15.625 -7.802 0.962 951 HZ3 LYS 53 2HZ LYS 53 16.507 -7.468 2.366 952 H LEU 54 H LEU 54 8.984 -11.533 1.406 953 HA LEU 54 HA LEU 54 9.782 -14.250 1.583 954 HG LEU 54 HG LEU 54 6.712 -14.561 3.497 955 HB2 LEU 54 1HB LEU 54 7.474 -12.697 2.156 956 HB3 LEU 54 2HB LEU 54 6.980 -14.043 1.114 957 HD11 LEU 54 1HD1 LEU 54 7.713 -16.726 3.448 958 HD12 LEU 54 2HD1 LEU 54 8.923 -16.201 2.278 959 HD13 LEU 54 3HD1 LEU 54 7.229 -16.317 1.803 960 HD21 LEU 54 3HD2 LEU 54 8.440 -14.574 5.034 961 HD22 LEU 54 1HD2 LEU 54 8.794 -13.131 4.084 962 HD23 LEU 54 2HD2 LEU 54 9.688 -14.622 3.787 963 H ALA 55 H ALA 55 8.669 -12.246 -1.010 964 HA ALA 55 HA ALA 55 7.603 -14.083 -2.785 965 HB1 ALA 55 3HB ALA 55 7.562 -12.346 -4.182 966 HB2 ALA 55 1HB ALA 55 8.303 -11.414 -2.880 967 HB3 ALA 55 2HB ALA 55 9.314 -12.154 -4.120 968 H GLU 56 H GLU 56 10.909 -13.606 -1.822 969 HA GLU 56 HA GLU 56 12.182 -14.882 -3.993 970 HE2 GLU 56 HE2 GLU 56 16.770 -13.326 -1.699 971 HB2 GLU 56 1HB GLU 56 13.554 -13.578 -2.592 972 HB3 GLU 56 2HB GLU 56 12.978 -14.398 -1.132 973 HG2 GLU 56 1HG GLU 56 14.412 -16.126 -1.350 974 HG3 GLU 56 2HG GLU 56 14.327 -16.104 -3.117 975 H GLU 57 H GLU 57 11.046 -16.109 -0.862 976 HA GLU 57 HA GLU 57 11.926 -18.768 -1.258 977 HE2 GLU 57 HE2 GLU 57 9.921 -20.120 4.040 978 HB2 GLU 57 1HB GLU 57 11.327 -17.731 0.946 979 HB3 GLU 57 2HB GLU 57 9.626 -17.852 0.472 980 HG2 GLU 57 1HG GLU 57 10.051 -20.349 0.160 981 HG3 GLU 57 2HG GLU 57 11.560 -20.070 1.041 982 H ARG 58 H ARG 58 8.916 -17.093 -1.994 983 HA ARG 58 HA ARG 58 7.552 -19.477 -2.837 984 HE ARG 58 HE ARG 58 5.193 -14.710 -2.205 985 HB2 ARG 58 1HB ARG 58 6.912 -16.536 -3.122 986 HB3 ARG 58 2HB ARG 58 5.853 -17.827 -3.708 987 HG2 ARG 58 1HG ARG 58 4.983 -18.157 -1.693 988 HG3 ARG 58 2HG ARG 58 6.592 -18.271 -0.958 989 HD2 ARG 58 1HD ARG 58 5.383 -16.434 0.053 990 HD3 ARG 58 2HD ARG 58 6.721 -15.806 -0.920 991 HH11 ARG 58 1HH1 ARG 58 3.591 -17.347 -0.591 992 HH12 ARG 58 2HH1 ARG 58 2.017 -16.917 -1.172 993 HH21 ARG 58 1HH2 ARG 58 3.125 -14.136 -2.977 994 HH22 ARG 58 2HH2 ARG 58 1.752 -15.091 -2.530 995 H LEU 59 H LEU 59 9.744 -17.277 -4.264 996 HA LEU 59 HA LEU 59 8.970 -18.065 -6.978 997 HG LEU 59 HG LEU 59 11.766 -16.625 -8.077 998 HB2 LEU 59 1HB LEU 59 9.252 -15.698 -6.677 999 HB3 LEU 59 2HB LEU 59 10.849 -15.947 -5.951 1000 HD11 LEU 59 1HD1 LEU 59 10.159 -16.255 -10.102 1001 HD12 LEU 59 2HD1 LEU 59 8.905 -16.601 -8.914 1002 HD13 LEU 59 3HD1 LEU 59 10.165 -17.792 -9.238 1003 HD21 LEU 59 3HD2 LEU 59 11.493 -14.531 -9.330 1004 HD22 LEU 59 1HD2 LEU 59 11.724 -14.243 -7.605 1005 HD23 LEU 59 2HD2 LEU 59 10.114 -14.112 -8.312 1006 H LYS 60 H LYS 60 12.176 -17.323 -5.661 1007 HA LYS 60 HA LYS 60 13.221 -19.702 -6.998 1008 HB2 LYS 60 1HB LYS 60 15.457 -18.684 -6.420 1009 HB3 LYS 60 2HB LYS 60 14.446 -17.729 -7.515 1010 HG2 LYS 60 1HG LYS 60 13.863 -16.945 -4.834 1011 HG3 LYS 60 2HG LYS 60 15.619 -16.932 -5.076 1012 HD2 LYS 60 1HD LYS 60 14.081 -15.778 -7.303 1013 HD3 LYS 60 2HD LYS 60 13.934 -14.902 -5.770 1014 HE2 LYS 60 1HE LYS 60 16.686 -15.688 -6.333 1015 HE3 LYS 60 2HE LYS 60 15.993 -14.667 -7.602 1016 HZ1 LYS 60 3HZ LYS 60 16.414 -14.038 -4.755 1017 HZ2 LYS 60 1HZ LYS 60 15.231 -13.211 -5.639 1018 HZ3 LYS 60 2HZ LYS 60 16.851 -13.142 -6.122 1019 H LYS 61 H LYS 61 15.382 -20.405 -5.612 1020 HA LYS 61 HA LYS 61 14.249 -21.438 -3.115 1021 HB2 LYS 61 1HB LYS 61 16.212 -23.021 -3.214 1022 HB3 LYS 61 2HB LYS 61 15.038 -23.179 -4.532 1023 HG2 LYS 61 1HG LYS 61 17.236 -21.329 -5.114 1024 HG3 LYS 61 2HG LYS 61 17.738 -23.008 -4.844 1025 HD2 LYS 61 1HD LYS 61 16.215 -23.800 -6.548 1026 HD3 LYS 61 2HD LYS 61 15.559 -22.165 -6.756 1027 HE2 LYS 61 1HE LYS 61 17.039 -22.238 -8.515 1028 HE3 LYS 61 2HE LYS 61 18.065 -21.556 -7.245 1029 HZ1 LYS 61 3HZ LYS 61 19.446 -23.240 -7.560 1030 HZ2 LYS 61 1HZ LYS 61 18.396 -23.965 -8.673 1031 HZ3 LYS 61 2HZ LYS 61 18.255 -24.316 -7.025 1032 H LEU 62 H LEU 62 14.567 -19.578 -1.835 1033 HA LEU 62 HA LEU 62 16.857 -18.077 -1.553 1034 HG LEU 62 HG LEU 62 16.037 -16.096 -0.201 1035 HB2 LEU 62 1HB LEU 62 14.483 -17.957 -0.412 1036 HB3 LEU 62 2HB LEU 62 15.322 -18.817 0.890 1037 HD11 LEU 62 1HD1 LEU 62 13.995 -16.215 1.210 1038 HD12 LEU 62 2HD1 LEU 62 15.293 -15.250 1.913 1039 HD13 LEU 62 3HD1 LEU 62 14.983 -16.880 2.511 1040 HD21 LEU 62 3HD2 LEU 62 18.093 -16.856 0.455 1041 HD22 LEU 62 1HD2 LEU 62 17.426 -17.967 1.651 1042 HD23 LEU 62 2HD2 LEU 62 17.490 -16.238 1.993 1043 HC1 HLT 101 HC1 HLT 101 0.716 -0.868 -1.576 Start of MODEL 14 1 HA MET 1 HA MET 1 -15.500 20.432 5.916 2 H1 MET 1 1H MET 1 -15.383 23.339 6.340 3 HB2 MET 1 1HB MET 1 -17.065 20.817 4.164 4 HB3 MET 1 2HB MET 1 -17.576 21.811 5.536 5 HG2 MET 1 1HG MET 1 -16.479 23.772 4.482 6 HG3 MET 1 2HG MET 1 -16.114 22.758 3.085 7 HE1 MET 1 3HE MET 1 -17.634 25.455 2.657 8 HE2 MET 1 1HE MET 1 -19.382 25.442 2.898 9 HE3 MET 1 2HE MET 1 -18.300 25.391 4.289 10 H LYS 2 H LYS 2 -14.769 19.589 3.857 11 HA LYS 2 HA LYS 2 -12.182 20.281 3.194 12 HB2 LYS 2 1HB LYS 2 -12.344 18.790 1.362 13 HB3 LYS 2 2HB LYS 2 -13.427 18.150 2.609 14 HG2 LYS 2 1HG LYS 2 -15.247 19.537 1.334 15 HG3 LYS 2 2HG LYS 2 -14.091 19.414 -0.004 16 HD2 LYS 2 1HD LYS 2 -14.515 17.232 -0.340 17 HD3 LYS 2 2HD LYS 2 -14.540 16.885 1.397 18 HE2 LYS 2 1HE LYS 2 -16.801 18.252 -0.074 19 HE3 LYS 2 2HE LYS 2 -16.718 16.508 0.214 20 HZ1 LYS 2 3HZ LYS 2 -16.621 16.978 2.612 21 HZ2 LYS 2 1HZ LYS 2 -18.051 17.539 1.902 22 HZ3 LYS 2 2HZ LYS 2 -16.816 18.628 2.291 23 H LYS 3 H LYS 3 -11.212 21.570 1.687 24 HA LYS 3 HA LYS 3 -12.980 23.379 0.175 25 HB2 LYS 3 1HB LYS 3 -10.232 24.034 1.261 26 HB3 LYS 3 2HB LYS 3 -11.357 25.147 0.466 27 HG2 LYS 3 1HG LYS 3 -12.305 25.651 2.402 28 HG3 LYS 3 2HG LYS 3 -12.666 23.941 2.697 29 HD2 LYS 3 1HD LYS 3 -10.279 23.682 3.494 30 HD3 LYS 3 2HD LYS 3 -10.164 25.450 3.434 31 HE2 LYS 3 1HE LYS 3 -12.562 24.742 4.826 32 HE3 LYS 3 2HE LYS 3 -11.210 23.826 5.507 33 HZ1 LYS 3 3HZ LYS 3 -10.079 25.761 6.077 34 HZ2 LYS 3 1HZ LYS 3 -11.687 26.121 6.462 35 HZ3 LYS 3 2HZ LYS 3 -10.999 26.736 5.045 36 H LEU 4 H LEU 4 -10.109 21.402 0.167 37 HA LEU 4 HA LEU 4 -10.175 20.976 -2.606 38 HG LEU 4 HG LEU 4 -7.602 22.592 -0.597 39 HB2 LEU 4 1HB LEU 4 -8.123 22.133 -3.289 40 HB3 LEU 4 2HB LEU 4 -9.397 23.256 -2.782 41 HD11 LEU 4 1HD1 LEU 4 -6.266 24.285 -2.628 42 HD12 LEU 4 2HD1 LEU 4 -6.209 22.539 -2.861 43 HD13 LEU 4 3HD1 LEU 4 -5.576 23.251 -1.377 44 HD21 LEU 4 3HD2 LEU 4 -8.621 25.080 -1.938 45 HD22 LEU 4 1HD2 LEU 4 -7.438 25.137 -0.630 46 HD23 LEU 4 2HD2 LEU 4 -9.031 24.436 -0.347 47 H ARG 5 H ARG 5 -8.364 20.981 0.384 48 HA ARG 5 HA ARG 5 -6.235 19.338 -0.219 49 HE ARG 5 HE ARG 5 -3.463 20.933 2.943 50 HB2 ARG 5 1HB ARG 5 -7.863 19.807 2.242 51 HB3 ARG 5 2HB ARG 5 -6.702 18.471 2.240 52 HG2 ARG 5 1HG ARG 5 -4.978 20.194 1.455 53 HG3 ARG 5 2HG ARG 5 -6.169 21.405 1.958 54 HD2 ARG 5 1HD ARG 5 -6.022 20.832 4.204 55 HD3 ARG 5 2HD ARG 5 -5.402 19.215 3.840 56 HH11 ARG 5 1HH1 ARG 5 -5.058 20.334 5.979 57 HH12 ARG 5 2HH1 ARG 5 -3.694 20.807 6.938 58 HH21 ARG 5 1HH2 ARG 5 -1.662 21.558 4.194 59 HH22 ARG 5 2HH2 ARG 5 -1.763 21.503 5.921 60 H GLU 6 H GLU 6 -9.601 18.531 0.072 61 HA GLU 6 HA GLU 6 -9.525 15.815 0.573 62 HE2 GLU 6 HE2 GLU 6 -13.913 15.098 -2.530 63 HB2 GLU 6 1HB GLU 6 -11.502 17.547 0.071 64 HB3 GLU 6 2HB GLU 6 -11.426 16.755 -1.510 65 HG2 GLU 6 1HG GLU 6 -11.363 14.729 0.482 66 HG3 GLU 6 2HG GLU 6 -12.678 15.849 0.864 67 H GLU 7 H GLU 7 -8.605 17.543 -2.288 68 HA GLU 7 HA GLU 7 -8.800 15.605 -4.250 69 HE2 GLU 7 HE2 GLU 7 -9.527 17.541 -7.855 70 HB2 GLU 7 1HB GLU 7 -6.613 17.662 -3.868 71 HB3 GLU 7 2HB GLU 7 -6.919 16.768 -5.364 72 HG2 GLU 7 1HG GLU 7 -9.326 18.061 -4.426 73 HG3 GLU 7 2HG GLU 7 -8.001 19.218 -4.616 74 H ALA 8 H ALA 8 -6.381 15.988 -1.731 75 HA ALA 8 HA ALA 8 -4.640 13.951 -2.751 76 HB1 ALA 8 3HB ALA 8 -3.317 15.188 -1.438 77 HB2 ALA 8 1HB ALA 8 -4.673 15.797 -0.489 78 HB3 ALA 8 2HB ALA 8 -3.967 14.225 -0.112 79 H ALA 9 H ALA 9 -7.399 14.050 -0.645 80 HA ALA 9 HA ALA 9 -7.022 11.662 0.777 81 HB1 ALA 9 3HB ALA 9 -9.665 12.819 -0.095 82 HB2 ALA 9 1HB ALA 9 -9.363 11.751 1.276 83 HB3 ALA 9 2HB ALA 9 -8.733 13.399 1.284 84 H LYS 10 H LYS 10 -8.487 12.289 -2.381 85 HA LYS 10 HA LYS 10 -9.558 9.775 -2.894 86 HB2 LYS 10 1HB LYS 10 -8.229 11.539 -4.959 87 HB3 LYS 10 2HB LYS 10 -9.539 10.376 -5.215 88 HG2 LYS 10 1HG LYS 10 -10.947 11.814 -3.668 89 HG3 LYS 10 2HG LYS 10 -9.666 13.031 -3.819 90 HD2 LYS 10 1HD LYS 10 -11.025 13.716 -5.526 91 HD3 LYS 10 2HD LYS 10 -10.010 12.557 -6.402 92 HE2 LYS 10 1HE LYS 10 -11.676 10.985 -6.564 93 HE3 LYS 10 2HE LYS 10 -12.471 11.535 -5.082 94 HZ1 LYS 10 3HZ LYS 10 -13.676 12.036 -7.200 95 HZ2 LYS 10 1HZ LYS 10 -12.447 13.136 -7.576 96 HZ3 LYS 10 2HZ LYS 10 -13.404 13.374 -6.202 97 H LEU 11 H LEU 11 -6.253 10.923 -3.148 98 HA LEU 11 HA LEU 11 -5.094 8.940 -4.678 99 HG LEU 11 HG LEU 11 -4.575 12.043 -3.538 100 HB2 LEU 11 1HB LEU 11 -3.868 10.173 -2.208 101 HB3 LEU 11 2HB LEU 11 -3.015 9.465 -3.590 102 HD11 LEU 11 1HD1 LEU 11 -1.685 11.306 -3.637 103 HD12 LEU 11 2HD1 LEU 11 -2.499 12.543 -2.680 104 HD13 LEU 11 3HD1 LEU 11 -2.236 12.795 -4.405 105 HD21 LEU 11 3HD2 LEU 11 -3.238 10.690 -5.879 106 HD22 LEU 11 1HD2 LEU 11 -3.989 12.285 -5.886 107 HD23 LEU 11 2HD2 LEU 11 -4.979 10.847 -5.638 108 H PHE 12 H PHE 12 -5.822 8.912 -1.214 109 HA PHE 12 HA PHE 12 -4.690 6.325 -0.772 110 HD1 PHE 12 HD2 PHE 12 -3.126 6.693 0.445 111 HD2 PHE 12 HD1 PHE 12 -5.633 9.616 2.261 112 HE1 PHE 12 HE2 PHE 12 -1.136 7.887 1.262 113 HE2 PHE 12 HE1 PHE 12 -3.647 10.815 3.080 114 HZ PHE 12 HZ PHE 12 -1.394 9.951 2.582 115 HB2 PHE 12 1HB PHE 12 -6.591 8.002 0.885 116 HB3 PHE 12 2HB PHE 12 -5.881 6.482 1.432 117 H GLU 13 H GLU 13 -7.772 7.521 -1.801 118 HA GLU 13 HA GLU 13 -9.390 5.327 -1.123 119 HE2 GLU 13 HE2 GLU 13 -12.932 8.413 -0.012 120 HB2 GLU 13 1HB GLU 13 -9.814 7.764 -2.280 121 HB3 GLU 13 2HB GLU 13 -10.040 6.675 -3.657 122 HG2 GLU 13 1HG GLU 13 -12.173 6.722 -2.884 123 HG3 GLU 13 2HG GLU 13 -11.547 5.367 -1.933 124 H GLU 14 H GLU 14 -7.623 6.065 -4.120 125 HA GLU 14 HA GLU 14 -8.357 3.598 -5.372 126 HE2 GLU 14 HE2 GLU 14 -7.674 5.780 -9.938 127 HB2 GLU 14 1HB GLU 14 -6.046 5.372 -6.160 128 HB3 GLU 14 2HB GLU 14 -6.991 4.284 -7.189 129 HG2 GLU 14 1HG GLU 14 -8.982 5.851 -6.467 130 HG3 GLU 14 2HG GLU 14 -7.664 6.996 -6.181 131 H TRP 15 H TRP 15 -5.761 4.674 -3.334 132 HA TRP 15 HA TRP 15 -3.788 2.804 -3.924 133 HD1 TRP 15 HD1 TRP 15 -2.417 4.244 -4.525 134 HE1 TRP 15 HE1 TRP 15 0.075 4.839 -4.282 135 HE3 TRP 15 HE3 TRP 15 -2.038 4.077 0.570 136 HZ2 TRP 15 HZ2 TRP 15 1.954 5.189 -2.204 137 HZ3 TRP 15 HZ3 TRP 15 0.142 4.554 1.606 138 HH2 TRP 15 HH2 TRP 15 2.095 5.098 0.247 139 HB2 TRP 15 1HB TRP 15 -4.346 4.698 -1.832 140 HB3 TRP 15 2HB TRP 15 -3.769 3.192 -1.118 141 H LYS 16 H LYS 16 -6.289 2.596 -1.387 142 HA LYS 16 HA LYS 16 -5.684 -0.095 -0.715 143 HB2 LYS 16 1HB LYS 16 -7.679 -0.038 0.643 144 HB3 LYS 16 2HB LYS 16 -6.816 1.498 0.816 145 HG2 LYS 16 1HG LYS 16 -8.376 2.473 -0.896 146 HG3 LYS 16 2HG LYS 16 -9.310 0.973 -0.777 147 HD2 LYS 16 1HD LYS 16 -8.627 2.466 1.726 148 HD3 LYS 16 2HD LYS 16 -9.940 3.053 0.690 149 HE2 LYS 16 1HE LYS 16 -10.433 0.329 0.865 150 HE3 LYS 16 2HE LYS 16 -9.864 0.763 2.483 151 HZ1 LYS 16 3HZ LYS 16 -11.599 2.248 2.791 152 HZ2 LYS 16 1HZ LYS 16 -12.347 0.966 1.977 153 HZ3 LYS 16 2HZ LYS 16 -11.936 2.375 1.137 154 H LYS 17 H LYS 17 -7.572 1.361 -3.194 155 HA LYS 17 HA LYS 17 -9.282 -0.879 -3.697 156 HB2 LYS 17 1HB LYS 17 -9.506 1.672 -4.363 157 HB3 LYS 17 2HB LYS 17 -8.649 1.129 -5.815 158 HG2 LYS 17 1HG LYS 17 -10.432 0.034 -6.634 159 HG3 LYS 17 2HG LYS 17 -10.935 -0.539 -5.033 160 HD2 LYS 17 1HD LYS 17 -12.317 1.212 -4.686 161 HD3 LYS 17 2HD LYS 17 -11.202 2.360 -5.446 162 HE2 LYS 17 1HE LYS 17 -11.969 0.895 -7.608 163 HE3 LYS 17 2HE LYS 17 -13.432 0.837 -6.613 164 HZ1 LYS 17 3HZ LYS 17 -13.314 3.289 -6.461 165 HZ2 LYS 17 1HZ LYS 17 -13.548 2.728 -8.041 166 HZ3 LYS 17 2HZ LYS 17 -12.023 3.274 -7.553 167 H LEU 18 H LEU 18 -6.293 0.364 -5.139 168 HA LEU 18 HA LEU 18 -6.069 -1.433 -7.255 169 HG LEU 18 HG LEU 18 -5.554 1.040 -7.598 170 HB2 LEU 18 1HB LEU 18 -4.024 0.034 -5.603 171 HB3 LEU 18 2HB LEU 18 -3.558 -1.032 -6.941 172 HD11 LEU 18 1HD1 LEU 18 -2.690 1.745 -6.975 173 HD12 LEU 18 2HD1 LEU 18 -4.119 2.313 -6.112 174 HD13 LEU 18 3HD1 LEU 18 -3.852 2.794 -7.787 175 HD21 LEU 18 3HD2 LEU 18 -4.881 -0.084 -9.469 176 HD22 LEU 18 1HD2 LEU 18 -3.250 -0.356 -8.856 177 HD23 LEU 18 2HD2 LEU 18 -3.706 1.231 -9.475 178 H ALA 19 H ALA 19 -5.615 -1.904 -3.867 179 HA ALA 19 HA ALA 19 -3.970 -4.228 -4.026 180 HB1 ALA 19 3HB ALA 19 -5.511 -2.855 -1.888 181 HB2 ALA 19 1HB ALA 19 -5.018 -4.528 -1.622 182 HB3 ALA 19 2HB ALA 19 -3.803 -3.292 -1.950 183 H GLU 20 H GLU 20 -7.185 -3.686 -4.806 184 HA GLU 20 HA GLU 20 -8.361 -6.117 -3.934 185 HE2 GLU 20 HE2 GLU 20 -12.947 -4.113 -4.094 186 HB2 GLU 20 1HB GLU 20 -9.671 -4.116 -4.548 187 HB3 GLU 20 2HB GLU 20 -9.171 -4.329 -6.233 188 HG2 GLU 20 1HG GLU 20 -10.882 -5.677 -6.596 189 HG3 GLU 20 2HG GLU 20 -10.277 -6.780 -5.350 190 H GLU 21 H GLU 21 -7.047 -5.081 -7.074 191 HA GLU 21 HA GLU 21 -7.527 -7.385 -8.528 192 HE2 GLU 21 HE2 GLU 21 -2.125 -6.904 -9.417 193 HB2 GLU 21 1HB GLU 21 -5.640 -6.708 -9.961 194 HB3 GLU 21 2HB GLU 21 -6.707 -5.351 -9.571 195 HG2 GLU 21 1HG GLU 21 -4.975 -4.194 -8.836 196 HG3 GLU 21 2HG GLU 21 -4.706 -5.418 -7.586 197 H ALA 22 H ALA 22 -4.994 -6.700 -6.205 198 HA ALA 22 HA ALA 22 -3.475 -9.065 -6.798 199 HB1 ALA 22 3HB ALA 22 -3.264 -6.796 -4.945 200 HB2 ALA 22 1HB ALA 22 -2.606 -8.318 -4.342 201 HB3 ALA 22 2HB ALA 22 -2.014 -7.639 -5.859 202 H ALA 23 H ALA 23 -6.024 -8.181 -4.572 203 HA ALA 23 HA ALA 23 -5.763 -10.455 -2.870 204 HB1 ALA 23 3HB ALA 23 -7.413 -8.114 -3.014 205 HB2 ALA 23 1HB ALA 23 -8.412 -9.541 -2.735 206 HB3 ALA 23 2HB ALA 23 -7.083 -9.166 -1.637 207 H LYS 24 H LYS 24 -7.901 -9.651 -5.590 208 HA LYS 24 HA LYS 24 -9.362 -12.077 -5.521 209 HB2 LYS 24 1HB LYS 24 -10.087 -11.442 -7.816 210 HB3 LYS 24 2HB LYS 24 -10.299 -10.152 -6.622 211 HG2 LYS 24 1HG LYS 24 -9.344 -8.866 -8.193 212 HG3 LYS 24 2HG LYS 24 -7.839 -9.549 -7.552 213 HD2 LYS 24 1HD LYS 24 -7.712 -9.793 -9.906 214 HD3 LYS 24 2HD LYS 24 -8.092 -11.399 -9.260 215 HE2 LYS 24 1HE LYS 24 -9.783 -11.447 -10.727 216 HE3 LYS 24 2HE LYS 24 -10.580 -10.283 -9.658 217 HZ1 LYS 24 3HZ LYS 24 -10.399 -8.705 -11.187 218 HZ2 LYS 24 1HZ LYS 24 -9.870 -9.883 -12.280 219 HZ3 LYS 24 2HZ LYS 24 -8.743 -8.983 -11.396 220 H LEU 25 H LEU 25 -6.437 -11.057 -7.190 221 HA LEU 25 HA LEU 25 -6.251 -13.429 -8.793 222 HG LEU 25 HG LEU 25 -6.045 -10.904 -10.179 223 HB2 LEU 25 1HB LEU 25 -4.543 -11.039 -8.272 224 HB3 LEU 25 2HB LEU 25 -3.785 -12.488 -8.956 225 HD11 LEU 25 1HD1 LEU 25 -3.691 -9.947 -10.208 226 HD12 LEU 25 2HD1 LEU 25 -4.492 -10.142 -11.767 227 HD13 LEU 25 3HD1 LEU 25 -3.269 -11.304 -11.254 228 HD21 LEU 25 3HD2 LEU 25 -5.332 -13.622 -10.534 229 HD22 LEU 25 1HD2 LEU 25 -4.828 -12.742 -11.977 230 HD23 LEU 25 2HD2 LEU 25 -6.507 -12.668 -11.442 231 H LEU 26 H LEU 26 -4.854 -12.300 -5.761 232 HA LEU 26 HA LEU 26 -2.880 -14.169 -5.336 233 HG LEU 26 HG LEU 26 -2.121 -12.093 -4.344 234 HB2 LEU 26 1HB LEU 26 -4.619 -12.509 -3.634 235 HB3 LEU 26 2HB LEU 26 -3.925 -13.934 -2.840 236 HD11 LEU 26 1HD1 LEU 26 -2.013 -10.498 -2.697 237 HD12 LEU 26 2HD1 LEU 26 -2.690 -11.565 -1.466 238 HD13 LEU 26 3HD1 LEU 26 -3.739 -10.862 -2.698 239 HD21 LEU 26 3HD2 LEU 26 -0.502 -13.211 -3.285 240 HD22 LEU 26 1HD2 LEU 26 -1.749 -14.401 -2.915 241 HD23 LEU 26 2HD2 LEU 26 -1.347 -13.153 -1.737 242 H GLU 27 H GLU 27 -6.345 -14.479 -4.629 243 HA GLU 27 HA GLU 27 -5.947 -17.311 -3.992 244 HE2 GLU 27 HE2 GLU 27 -8.734 -16.214 0.690 245 HB2 GLU 27 1HB GLU 27 -8.530 -15.767 -3.776 246 HB3 GLU 27 2HB GLU 27 -8.089 -17.281 -2.972 247 HG2 GLU 27 1HG GLU 27 -6.152 -15.452 -2.147 248 HG3 GLU 27 2HG GLU 27 -7.680 -14.560 -2.118 249 H GLY 28 H GLY 28 -6.138 -15.787 -6.723 250 HA2 GLY 28 1HA GLY 28 -8.416 -16.681 -8.084 251 HA3 GLY 28 2HA GLY 28 -6.873 -16.297 -8.836 252 H GLY 29 H GLY 29 -5.807 -18.488 -6.861 253 HA2 GLY 29 1HA GLY 29 -6.501 -20.965 -7.029 254 HA3 GLY 29 2HA GLY 29 -6.312 -20.684 -8.754 255 H GLY 30 H GLY 30 -4.324 -19.527 -6.048 256 HA2 GLY 30 1HA GLY 30 -2.229 -21.407 -6.479 257 HA3 GLY 30 2HA GLY 30 -1.876 -19.885 -7.281 258 H GLY 31 H GLY 31 -3.218 -20.877 -4.122 259 HA2 GLY 31 1HA GLY 31 -1.025 -19.861 -2.644 260 HA3 GLY 31 2HA GLY 31 -2.319 -18.674 -2.682 261 H GLY 32 H GLY 32 -3.573 -18.733 -0.948 262 HA2 GLY 32 1HA GLY 32 -4.755 -19.516 0.856 263 HA3 GLY 32 2HA GLY 32 -4.938 -21.010 -0.053 264 H GLY 33 H GLY 33 -1.798 -19.750 0.824 265 HA2 GLY 33 1HA GLY 33 -1.165 -22.197 2.199 266 HA3 GLY 33 2HA GLY 33 -0.093 -20.826 1.958 267 H GLY 34 H GLY 34 -3.147 -21.452 3.703 268 HA2 GLY 34 1HA GLY 34 -3.386 -21.412 6.057 269 HA3 GLY 34 2HA GLY 34 -1.844 -20.577 6.175 270 H GLY 35 H GLY 35 -2.888 -18.783 3.901 271 HA2 GLY 35 1HA GLY 35 -4.454 -17.010 3.703 272 HA3 GLY 35 2HA GLY 35 -4.878 -17.232 5.395 273 H GLU 36 H GLU 36 -1.841 -17.382 5.894 274 HA GLU 36 HA GLU 36 -1.498 -14.794 6.853 275 HE2 GLU 36 HE2 GLU 36 3.515 -17.292 8.213 276 HB2 GLU 36 1HB GLU 36 -0.168 -16.589 7.728 277 HB3 GLU 36 2HB GLU 36 0.543 -16.901 6.136 278 HG2 GLU 36 1HG GLU 36 1.771 -14.856 6.185 279 HG3 GLU 36 2HG GLU 36 0.922 -14.331 7.647 280 H LEU 37 H LEU 37 -0.664 -16.193 3.741 281 HA LEU 37 HA LEU 37 1.010 -14.201 2.752 282 HG LEU 37 HG LEU 37 -0.485 -14.215 -0.230 283 HB2 LEU 37 1HB LEU 37 0.764 -16.283 1.588 284 HB3 LEU 37 2HB LEU 37 -0.966 -15.986 1.343 285 HD11 LEU 37 1HD1 LEU 37 2.346 -14.678 0.634 286 HD12 LEU 37 2HD1 LEU 37 1.445 -13.166 0.536 287 HD13 LEU 37 3HD1 LEU 37 1.973 -13.974 -0.939 288 HD21 LEU 37 3HD2 LEU 37 0.533 -16.944 -0.580 289 HD22 LEU 37 1HD2 LEU 37 1.166 -15.767 -1.731 290 HD23 LEU 37 2HD2 LEU 37 -0.575 -16.003 -1.582 291 H MET 38 H MET 38 -2.529 -14.479 2.533 292 HA MET 38 HA MET 38 -2.903 -12.070 1.098 293 HB2 MET 38 1HB MET 38 -4.641 -13.699 1.035 294 HB3 MET 38 2HB MET 38 -4.758 -13.731 2.801 295 HG2 MET 38 1HG MET 38 -5.915 -11.742 2.916 296 HG3 MET 38 2HG MET 38 -5.290 -11.180 1.363 297 HE1 MET 38 3HE MET 38 -5.983 -11.875 -0.847 298 HE2 MET 38 1HE MET 38 -6.032 -13.636 -0.750 299 HE3 MET 38 2HE MET 38 -7.458 -12.743 -1.279 300 H LYS 39 H LYS 39 -2.605 -12.819 4.495 301 HA LYS 39 HA LYS 39 -3.670 -10.463 5.581 302 HB2 LYS 39 1HB LYS 39 -3.157 -12.480 6.901 303 HB3 LYS 39 2HB LYS 39 -1.427 -12.178 6.664 304 HG2 LYS 39 1HG LYS 39 -2.393 -9.787 7.697 305 HG3 LYS 39 2HG LYS 39 -3.252 -11.047 8.600 306 HD2 LYS 39 1HD LYS 39 -1.260 -12.011 9.396 307 HD3 LYS 39 2HD LYS 39 -0.278 -11.163 8.187 308 HE2 LYS 39 1HE LYS 39 -0.548 -9.069 9.284 309 HE3 LYS 39 2HE LYS 39 -1.825 -9.717 10.326 310 HZ1 LYS 39 3HZ LYS 39 0.864 -10.907 10.428 311 HZ2 LYS 39 1HZ LYS 39 -0.325 -10.840 11.631 312 HZ3 LYS 39 2HZ LYS 39 0.563 -9.454 11.242 313 H LEU 40 H LEU 40 -0.620 -11.133 4.058 314 HA LEU 40 HA LEU 40 0.821 -8.907 5.056 315 HG LEU 40 HG LEU 40 1.893 -11.681 4.740 316 HB2 LEU 40 1HB LEU 40 1.125 -10.685 2.650 317 HB3 LEU 40 2HB LEU 40 2.191 -9.295 2.916 318 HD11 LEU 40 1HD1 LEU 40 4.480 -11.615 4.002 319 HD12 LEU 40 2HD1 LEU 40 3.722 -10.990 2.538 320 HD13 LEU 40 3HD1 LEU 40 3.246 -12.564 3.173 321 HD21 LEU 40 3HD2 LEU 40 4.185 -10.135 5.326 322 HD22 LEU 40 1HD2 LEU 40 2.776 -10.431 6.344 323 HD23 LEU 40 2HD2 LEU 40 2.808 -9.033 5.270 324 H CYS 41 H CYS 41 -0.627 -9.424 1.834 325 HA CYS 41 HA CYS 41 -0.305 -6.785 0.949 326 HG CYS 41 HG CYS 41 -4.127 -8.173 0.076 327 HB2 CYS 41 1HB CYS 41 -1.729 -7.338 -0.860 328 HB3 CYS 41 2HB CYS 41 -0.828 -8.811 -0.468 329 H GLU 42 H GLU 42 -2.660 -8.231 3.029 330 HA GLU 42 HA GLU 42 -4.770 -6.403 2.730 331 HE2 GLU 42 HE2 GLU 42 -7.839 -8.476 7.328 332 HB2 GLU 42 1HB GLU 42 -5.157 -8.462 3.883 333 HB3 GLU 42 2HB GLU 42 -3.907 -8.087 5.081 334 HG2 GLU 42 1HG GLU 42 -5.257 -6.226 5.924 335 HG3 GLU 42 2HG GLU 42 -6.510 -6.614 4.736 336 H GLU 43 H GLU 43 -1.716 -6.150 4.330 337 HA GLU 43 HA GLU 43 -2.206 -4.200 6.239 338 HE2 GLU 43 HE2 GLU 43 0.416 -4.739 9.319 339 HB2 GLU 43 1HB GLU 43 0.241 -4.495 4.479 340 HB3 GLU 43 2HB GLU 43 0.164 -3.583 5.994 341 HG2 GLU 43 1HG GLU 43 -0.758 -6.293 6.377 342 HG3 GLU 43 2HG GLU 43 0.864 -6.254 5.671 343 H ALA 44 H ALA 44 -1.768 -3.884 2.765 344 HA ALA 44 HA ALA 44 -1.388 -1.168 2.497 345 HB1 ALA 44 3HB ALA 44 -1.869 -1.441 0.286 346 HB2 ALA 44 1HB ALA 44 -1.634 -3.130 0.739 347 HB3 ALA 44 2HB ALA 44 -3.265 -2.472 0.602 348 H ALA 45 H ALA 45 -4.457 -2.916 2.845 349 HA ALA 45 HA ALA 45 -6.050 -0.538 2.725 350 HB1 ALA 45 3HB ALA 45 -6.507 -3.382 2.834 351 HB2 ALA 45 1HB ALA 45 -7.576 -2.526 3.946 352 HB3 ALA 45 2HB ALA 45 -7.555 -2.098 2.235 353 H LYS 46 H LYS 46 -4.345 -2.226 5.197 354 HA LYS 46 HA LYS 46 -5.869 -1.221 7.406 355 HB2 LYS 46 1HB LYS 46 -3.844 -3.141 7.021 356 HB3 LYS 46 2HB LYS 46 -3.170 -1.931 8.123 357 HG2 LYS 46 1HG LYS 46 -5.914 -2.927 8.685 358 HG3 LYS 46 2HG LYS 46 -4.547 -4.014 8.994 359 HD2 LYS 46 1HD LYS 46 -4.555 -2.981 11.014 360 HD3 LYS 46 2HD LYS 46 -3.596 -1.778 10.136 361 HE2 LYS 46 1HE LYS 46 -5.129 -0.233 10.614 362 HE3 LYS 46 2HE LYS 46 -6.300 -1.151 9.657 363 HZ1 LYS 46 3HZ LYS 46 -7.360 -1.151 11.645 364 HZ2 LYS 46 1HZ LYS 46 -5.934 -1.068 12.553 365 HZ3 LYS 46 2HZ LYS 46 -6.422 -2.540 11.878 366 H LYS 47 H LYS 47 -2.692 -0.429 6.013 367 HA LYS 47 HA LYS 47 -2.156 1.731 7.753 368 HB2 LYS 47 1HB LYS 47 -1.110 1.173 4.968 369 HB3 LYS 47 2HB LYS 47 -0.430 2.359 6.093 370 HG2 LYS 47 1HG LYS 47 -0.526 -0.634 6.474 371 HG3 LYS 47 2HG LYS 47 0.903 0.353 6.120 372 HD2 LYS 47 1HD LYS 47 1.209 0.378 8.345 373 HD3 LYS 47 2HD LYS 47 -0.090 1.586 8.348 374 HE2 LYS 47 1HE LYS 47 -1.729 0.005 8.944 375 HE3 LYS 47 2HE LYS 47 -0.686 -1.353 8.498 376 HZ1 LYS 47 3HZ LYS 47 -1.001 -0.260 11.008 377 HZ2 LYS 47 1HZ LYS 47 0.543 0.222 10.509 378 HZ3 LYS 47 2HZ LYS 47 0.138 -1.420 10.538 379 H ALA 48 H ALA 48 -3.695 1.533 4.584 380 HA ALA 48 HA ALA 48 -3.910 4.327 4.161 381 HB1 ALA 48 3HB ALA 48 -4.231 2.245 2.548 382 HB2 ALA 48 1HB ALA 48 -5.924 2.502 2.970 383 HB3 ALA 48 2HB ALA 48 -4.992 3.803 2.228 384 H GLU 49 H GLU 49 -6.168 1.908 5.455 385 HA GLU 49 HA GLU 49 -8.269 3.782 5.905 386 HE2 GLU 49 HE2 GLU 49 -11.523 4.007 5.641 387 HB2 GLU 49 1HB GLU 49 -8.691 1.381 5.595 388 HB3 GLU 49 2HB GLU 49 -7.833 1.041 7.105 389 HG2 GLU 49 1HG GLU 49 -10.055 0.957 7.742 390 HG3 GLU 49 2HG GLU 49 -9.559 2.593 8.201 391 H GLU 50 H GLU 50 -5.513 2.704 7.728 392 HA GLU 50 HA GLU 50 -6.413 3.584 10.282 393 HE2 GLU 50 HE2 GLU 50 -1.687 1.726 13.072 394 HB2 GLU 50 1HB GLU 50 -4.662 1.916 10.102 395 HB3 GLU 50 2HB GLU 50 -3.628 3.061 9.233 396 HG2 GLU 50 1HG GLU 50 -3.030 4.187 11.108 397 HG3 GLU 50 2HG GLU 50 -4.579 3.884 11.908 398 H LEU 51 H LEU 51 -4.202 4.989 7.874 399 HA LEU 51 HA LEU 51 -3.832 7.413 9.335 400 HG LEU 51 HG LEU 51 -3.965 5.861 6.005 401 HB2 LEU 51 1HB LEU 51 -2.716 8.228 7.318 402 HB3 LEU 51 2HB LEU 51 -2.150 6.615 7.785 403 HD11 LEU 51 1HD1 LEU 51 -3.655 8.731 5.576 404 HD12 LEU 51 2HD1 LEU 51 -4.900 7.623 5.001 405 HD13 LEU 51 3HD1 LEU 51 -3.372 7.761 4.130 406 HD21 LEU 51 3HD2 LEU 51 -1.176 6.144 6.078 407 HD22 LEU 51 1HD2 LEU 51 -1.687 6.754 4.503 408 HD23 LEU 51 2HD2 LEU 51 -2.128 5.120 5.002 409 H PHE 52 H PHE 52 -6.018 6.342 6.815 410 HA PHE 52 HA PHE 52 -7.013 8.853 6.034 411 HD1 PHE 52 HD1 PHE 52 -8.259 9.208 3.890 412 HD2 PHE 52 HD2 PHE 52 -10.658 6.330 5.909 413 HE1 PHE 52 HE1 PHE 52 -10.285 10.242 2.951 414 HE2 PHE 52 HE2 PHE 52 -12.688 7.358 4.973 415 HZ PHE 52 HZ PHE 52 -12.502 9.317 3.491 416 HB2 PHE 52 1HB PHE 52 -7.402 6.833 4.718 417 HB3 PHE 52 2HB PHE 52 -8.373 6.152 6.025 418 H LYS 53 H LYS 53 -7.695 6.816 8.770 419 HA LYS 53 HA LYS 53 -10.176 7.844 9.550 420 HB2 LYS 53 1HB LYS 53 -7.923 6.459 10.932 421 HB3 LYS 53 2HB LYS 53 -9.162 7.235 11.932 422 HG2 LYS 53 1HG LYS 53 -9.692 5.159 9.804 423 HG3 LYS 53 2HG LYS 53 -9.622 4.857 11.549 424 HD2 LYS 53 1HD LYS 53 -11.467 6.557 11.824 425 HD3 LYS 53 2HD LYS 53 -11.617 6.556 10.058 426 HE2 LYS 53 1HE LYS 53 -13.086 4.883 10.349 427 HE3 LYS 53 2HE LYS 53 -11.657 3.880 10.643 428 HZ1 LYS 53 3HZ LYS 53 -11.900 4.588 13.051 429 HZ2 LYS 53 1HZ LYS 53 -13.053 3.501 12.457 430 HZ3 LYS 53 2HZ LYS 53 -13.446 5.136 12.634 431 H LEU 54 H LEU 54 -6.947 8.746 10.774 432 HA LEU 54 HA LEU 54 -7.960 11.051 12.137 433 HG LEU 54 HG LEU 54 -4.864 10.941 14.044 434 HB2 LEU 54 1HB LEU 54 -5.600 9.527 12.166 435 HB3 LEU 54 2HB LEU 54 -5.124 11.155 11.657 436 HD11 LEU 54 1HD1 LEU 54 -5.864 12.924 14.656 437 HD12 LEU 54 2HD1 LEU 54 -7.349 12.574 13.772 438 HD13 LEU 54 3HD1 LEU 54 -5.891 13.040 12.896 439 HD21 LEU 54 3HD2 LEU 54 -7.742 10.663 14.604 440 HD22 LEU 54 1HD2 LEU 54 -6.346 9.995 15.451 441 HD23 LEU 54 2HD2 LEU 54 -6.940 9.219 13.982 442 H ALA 55 H ALA 55 -6.185 10.485 9.131 443 HA ALA 55 HA ALA 55 -5.714 13.168 8.455 444 HB1 ALA 55 3HB ALA 55 -4.537 11.399 7.331 445 HB2 ALA 55 1HB ALA 55 -6.045 10.749 6.688 446 HB3 ALA 55 2HB ALA 55 -5.456 12.319 6.139 447 H GLU 56 H GLU 56 -8.571 11.222 8.285 448 HA GLU 56 HA GLU 56 -10.033 12.450 6.288 449 HE2 GLU 56 HE2 GLU 56 -14.308 9.816 6.111 450 HB2 GLU 56 1HB GLU 56 -10.966 10.528 7.279 451 HB3 GLU 56 2HB GLU 56 -10.862 11.221 8.906 452 HG2 GLU 56 1HG GLU 56 -12.786 12.391 8.701 453 HG3 GLU 56 2HG GLU 56 -12.551 12.671 6.970 454 H GLU 57 H GLU 57 -9.115 13.671 9.391 455 HA GLU 57 HA GLU 57 -11.082 15.755 9.500 456 HE2 GLU 57 HE2 GLU 57 -7.995 18.587 13.768 457 HB2 GLU 57 1HB GLU 57 -10.052 14.832 11.535 458 HB3 GLU 57 2HB GLU 57 -8.481 15.459 11.011 459 HG2 GLU 57 1HG GLU 57 -9.806 17.746 10.935 460 HG3 GLU 57 2HG GLU 57 -10.826 16.904 12.110 461 H ARG 58 H ARG 58 -7.559 15.749 8.948 462 HA ARG 58 HA ARG 58 -7.459 18.482 8.187 463 HE ARG 58 HE ARG 58 -4.994 16.909 4.948 464 HB2 ARG 58 1HB ARG 58 -5.178 17.829 7.269 465 HB3 ARG 58 2HB ARG 58 -5.446 17.549 8.996 466 HG2 ARG 58 1HG ARG 58 -4.356 15.620 8.277 467 HG3 ARG 58 2HG ARG 58 -6.065 15.160 8.336 468 HD2 ARG 58 1HD ARG 58 -4.830 14.395 6.280 469 HD3 ARG 58 2HD ARG 58 -6.291 15.346 5.979 470 HH11 ARG 58 1HH1 ARG 58 -2.975 15.007 7.052 471 HH12 ARG 58 2HH1 ARG 58 -1.503 15.765 6.540 472 HH21 ARG 58 1HH2 ARG 58 -3.063 17.914 4.265 473 HH22 ARG 58 2HH2 ARG 58 -1.555 17.418 4.955 474 H LEU 59 H LEU 59 -8.608 15.764 6.589 475 HA LEU 59 HA LEU 59 -8.064 16.870 3.928 476 HG LEU 59 HG LEU 59 -6.436 14.694 4.165 477 HB2 LEU 59 1HB LEU 59 -8.727 14.179 4.995 478 HB3 LEU 59 2HB LEU 59 -9.349 14.588 3.387 479 HD11 LEU 59 1HD1 LEU 59 -6.717 12.443 4.161 480 HD12 LEU 59 2HD1 LEU 59 -6.549 12.686 2.423 481 HD13 LEU 59 3HD1 LEU 59 -8.152 12.510 3.137 482 HD21 LEU 59 3HD2 LEU 59 -7.960 15.203 1.644 483 HD22 LEU 59 1HD2 LEU 59 -6.306 14.595 1.573 484 HD23 LEU 59 2HD2 LEU 59 -6.646 16.132 2.368 485 H LYS 60 H LYS 60 -10.830 15.282 5.531 486 HA LYS 60 HA LYS 60 -12.668 16.809 3.875 487 HB2 LYS 60 1HB LYS 60 -13.536 14.941 6.056 488 HB3 LYS 60 2HB LYS 60 -14.320 15.298 4.509 489 HG2 LYS 60 1HG LYS 60 -11.831 13.641 4.931 490 HG3 LYS 60 2HG LYS 60 -13.441 13.062 4.465 491 HD2 LYS 60 1HD LYS 60 -13.130 14.771 2.477 492 HD3 LYS 60 2HD LYS 60 -11.413 14.536 2.852 493 HE2 LYS 60 1HE LYS 60 -12.105 12.976 1.119 494 HE3 LYS 60 2HE LYS 60 -11.700 12.108 2.607 495 HZ1 LYS 60 3HZ LYS 60 -13.796 11.399 2.866 496 HZ2 LYS 60 1HZ LYS 60 -13.953 11.737 1.216 497 HZ3 LYS 60 2HZ LYS 60 -14.483 12.860 2.363 498 H LYS 61 H LYS 61 -12.659 16.051 7.360 499 HA LYS 61 HA LYS 61 -12.558 18.676 8.292 500 HB2 LYS 61 1HB LYS 61 -14.959 18.259 7.030 501 HB3 LYS 61 2HB LYS 61 -15.356 17.899 8.719 502 HG2 LYS 61 1HG LYS 61 -14.017 20.442 7.795 503 HG3 LYS 61 2HG LYS 61 -15.760 20.258 8.065 504 HD2 LYS 61 1HD LYS 61 -15.306 19.618 10.417 505 HD3 LYS 61 2HD LYS 61 -13.582 19.915 10.127 506 HE2 LYS 61 1HE LYS 61 -14.465 22.266 9.292 507 HE3 LYS 61 2HE LYS 61 -15.835 21.854 10.335 508 HZ1 LYS 61 3HZ LYS 61 -14.561 21.942 12.212 509 HZ2 LYS 61 1HZ LYS 61 -13.775 23.116 11.281 510 HZ3 LYS 61 2HZ LYS 61 -13.120 21.562 11.410 511 H LEU 62 H LEU 62 -14.570 15.811 8.988 512 HA LEU 62 HA LEU 62 -14.838 14.576 10.885 513 HG LEU 62 HG LEU 62 -13.400 12.448 11.162 514 HB2 LEU 62 1HB LEU 62 -12.310 14.309 10.099 515 HB3 LEU 62 2HB LEU 62 -12.018 15.079 11.669 516 HD11 LEU 62 1HD1 LEU 62 -11.554 11.459 12.253 517 HD12 LEU 62 2HD1 LEU 62 -10.934 13.022 12.784 518 HD13 LEU 62 3HD1 LEU 62 -10.880 12.587 11.075 519 HD21 LEU 62 3HD2 LEU 62 -13.036 13.977 13.736 520 HD22 LEU 62 1HD2 LEU 62 -13.561 12.297 13.624 521 HD23 LEU 62 2HD2 LEU 62 -14.564 13.581 12.947 522 HA MET 1 HA MET 1 15.824 -19.397 -7.094 523 H1 MET 1 1H MET 1 16.118 -22.307 -7.391 524 HB2 MET 1 1HB MET 1 16.195 -19.184 -9.433 525 HB3 MET 1 2HB MET 1 17.425 -20.300 -8.820 526 HG2 MET 1 1HG MET 1 16.031 -22.205 -9.590 527 HG3 MET 1 2HG MET 1 14.914 -21.036 -10.302 528 HE1 MET 1 3HE MET 1 16.083 -23.309 -12.095 529 HE2 MET 1 1HE MET 1 17.676 -23.039 -12.804 530 HE3 MET 1 2HE MET 1 17.528 -23.426 -11.089 531 H LYS 2 H LYS 2 14.039 -18.354 -8.195 532 HA LYS 2 HA LYS 2 11.555 -19.370 -7.558 533 HB2 LYS 2 1HB LYS 2 10.603 -17.585 -8.793 534 HB3 LYS 2 2HB LYS 2 12.148 -16.984 -8.168 535 HG2 LYS 2 1HG LYS 2 13.061 -17.788 -10.494 536 HG3 LYS 2 2HG LYS 2 11.359 -17.629 -10.964 537 HD2 LYS 2 1HD LYS 2 11.425 -15.381 -10.922 538 HD3 LYS 2 2HD LYS 2 12.374 -15.354 -9.426 539 HE2 LYS 2 1HE LYS 2 13.537 -16.027 -12.135 540 HE3 LYS 2 2HE LYS 2 13.532 -14.400 -11.438 541 HZ1 LYS 2 3HZ LYS 2 14.778 -15.291 -9.530 542 HZ2 LYS 2 1HZ LYS 2 15.621 -15.457 -10.988 543 HZ3 LYS 2 2HZ LYS 2 14.857 -16.798 -10.295 544 H LYS 3 H LYS 3 9.977 -20.510 -8.612 545 HA LYS 3 HA LYS 3 10.745 -21.719 -11.189 546 HB2 LYS 3 1HB LYS 3 9.019 -22.975 -9.043 547 HB3 LYS 3 2HB LYS 3 9.594 -23.742 -10.532 548 HG2 LYS 3 1HG LYS 3 11.445 -24.422 -9.527 549 HG3 LYS 3 2HG LYS 3 11.836 -22.755 -9.065 550 HD2 LYS 3 1HD LYS 3 10.225 -23.023 -7.134 551 HD3 LYS 3 2HD LYS 3 10.171 -24.748 -7.538 552 HE2 LYS 3 1HE LYS 3 12.910 -23.924 -7.432 553 HE3 LYS 3 2HE LYS 3 12.084 -23.371 -5.968 554 HZ1 LYS 3 3HZ LYS 3 11.511 -25.534 -5.379 555 HZ2 LYS 3 1HZ LYS 3 13.094 -25.693 -5.957 556 HZ3 LYS 3 2HZ LYS 3 11.789 -26.149 -6.930 557 H LEU 4 H LEU 4 8.244 -20.211 -9.294 558 HA LEU 4 HA LEU 4 6.808 -19.328 -11.537 559 HG LEU 4 HG LEU 4 5.763 -21.608 -8.897 560 HB2 LEU 4 1HB LEU 4 4.747 -20.635 -11.300 561 HB3 LEU 4 2HB LEU 4 6.132 -21.635 -11.775 562 HD11 LEU 4 1HD1 LEU 4 3.584 -23.088 -10.251 563 HD12 LEU 4 2HD1 LEU 4 3.373 -21.352 -10.030 564 HD13 LEU 4 3HD1 LEU 4 3.650 -22.390 -8.632 565 HD21 LEU 4 3HD2 LEU 4 5.959 -23.667 -11.074 566 HD22 LEU 4 1HD2 LEU 4 5.663 -24.107 -9.391 567 HD23 LEU 4 2HD2 LEU 4 7.144 -23.256 -9.832 568 H ARG 5 H ARG 5 6.868 -20.087 -8.125 569 HA ARG 5 HA ARG 5 4.693 -18.685 -7.177 570 HE ARG 5 HE ARG 5 4.083 -21.185 -3.486 571 HB2 ARG 5 1HB ARG 5 7.394 -19.324 -6.073 572 HB3 ARG 5 2HB ARG 5 6.371 -18.181 -5.188 573 HG2 ARG 5 1HG ARG 5 4.546 -19.979 -5.334 574 HG3 ARG 5 2HG ARG 5 5.867 -21.075 -5.773 575 HD2 ARG 5 1HD ARG 5 6.909 -20.881 -3.702 576 HD3 ARG 5 2HD ARG 5 6.110 -19.342 -3.349 577 HH11 ARG 5 1HH1 ARG 5 6.993 -20.799 -1.616 578 HH12 ARG 5 2HH1 ARG 5 6.362 -21.612 -0.222 579 HH21 ARG 5 1HH2 ARG 5 3.239 -22.256 -1.658 580 HH22 ARG 5 2HH2 ARG 5 4.226 -22.441 -0.247 581 H GLU 6 H GLU 6 7.669 -17.469 -8.491 582 HA GLU 6 HA GLU 6 7.787 -14.913 -7.449 583 HE2 GLU 6 HE2 GLU 6 9.920 -13.061 -12.072 584 HB2 GLU 6 1HB GLU 6 9.221 -16.256 -9.288 585 HB3 GLU 6 2HB GLU 6 8.314 -15.172 -10.355 586 HG2 GLU 6 1HG GLU 6 9.291 -13.614 -8.197 587 HG3 GLU 6 2HG GLU 6 10.621 -14.614 -8.797 588 H GLU 7 H GLU 7 5.534 -16.253 -9.717 589 HA GLU 7 HA GLU 7 4.593 -14.008 -11.029 590 HE2 GLU 7 HE2 GLU 7 3.319 -15.189 -14.804 591 HB2 GLU 7 1HB GLU 7 3.015 -16.389 -10.022 592 HB3 GLU 7 2HB GLU 7 2.439 -15.222 -11.223 593 HG2 GLU 7 1HG GLU 7 5.012 -16.297 -11.979 594 HG3 GLU 7 2HG GLU 7 3.829 -17.582 -11.699 595 H ALA 8 H ALA 8 3.964 -15.101 -7.758 596 HA ALA 8 HA ALA 8 1.854 -13.225 -7.260 597 HB1 ALA 8 3HB ALA 8 1.540 -14.814 -5.719 598 HB2 ALA 8 1HB ALA 8 3.222 -15.340 -5.786 599 HB3 ALA 8 2HB ALA 8 2.769 -13.959 -4.787 600 H ALA 9 H ALA 9 5.321 -13.216 -6.996 601 HA ALA 9 HA ALA 9 5.670 -11.120 -5.169 602 HB1 ALA 9 3HB ALA 9 7.459 -11.760 -7.509 603 HB2 ALA 9 1HB ALA 9 7.905 -10.939 -6.013 604 HB3 ALA 9 2HB ALA 9 7.460 -12.645 -5.983 605 H LYS 10 H LYS 10 5.175 -11.099 -8.667 606 HA LYS 10 HA LYS 10 5.687 -8.418 -9.191 607 HB2 LYS 10 1HB LYS 10 3.501 -10.044 -10.501 608 HB3 LYS 10 2HB LYS 10 4.405 -8.691 -11.199 609 HG2 LYS 10 1HG LYS 10 6.485 -10.125 -10.960 610 HG3 LYS 10 2HG LYS 10 5.382 -11.471 -10.626 611 HD2 LYS 10 1HD LYS 10 5.591 -11.723 -12.889 612 HD3 LYS 10 2HD LYS 10 4.219 -10.602 -12.840 613 HE2 LYS 10 1HE LYS 10 5.457 -8.813 -13.574 614 HE3 LYS 10 2HE LYS 10 6.959 -9.450 -12.888 615 HZ1 LYS 10 3HZ LYS 10 6.807 -9.487 -15.371 616 HZ2 LYS 10 1HZ LYS 10 5.616 -10.679 -15.227 617 HZ3 LYS 10 2HZ LYS 10 7.182 -10.975 -14.659 618 H LEU 11 H LEU 11 2.842 -9.955 -7.833 619 HA LEU 11 HA LEU 11 0.961 -7.947 -8.088 620 HG LEU 11 HG LEU 11 1.308 -11.221 -7.457 621 HB2 LEU 11 1HB LEU 11 1.333 -9.658 -5.627 622 HB3 LEU 11 2HB LEU 11 -0.166 -8.908 -6.205 623 HD11 LEU 11 1HD1 LEU 11 -1.186 -10.917 -5.851 624 HD12 LEU 11 2HD1 LEU 11 0.086 -12.131 -5.736 625 HD13 LEU 11 3HD1 LEU 11 -1.077 -12.197 -7.059 626 HD21 LEU 11 3HD2 LEU 11 -1.172 -9.801 -8.422 627 HD22 LEU 11 1HD2 LEU 11 -0.468 -11.257 -9.123 628 HD23 LEU 11 2HD2 LEU 11 0.417 -9.733 -9.186 629 H PHE 12 H PHE 12 3.476 -8.322 -5.623 630 HA PHE 12 HA PHE 12 2.689 -5.999 -4.154 631 HD1 PHE 12 HD2 PHE 12 2.150 -6.529 -2.307 632 HD2 PHE 12 HD1 PHE 12 5.122 -9.547 -2.715 633 HE1 PHE 12 HE2 PHE 12 0.946 -7.930 -0.682 634 HE2 PHE 12 HE1 PHE 12 3.922 -10.954 -1.092 635 HZ PHE 12 HZ PHE 12 1.832 -10.145 -0.071 636 HB2 PHE 12 1HB PHE 12 5.187 -7.703 -4.129 637 HB3 PHE 12 2HB PHE 12 4.966 -6.312 -3.066 638 H GLU 13 H GLU 13 4.689 -6.600 -6.904 639 HA GLU 13 HA GLU 13 6.458 -4.471 -6.849 640 HE2 GLU 13 HE2 GLU 13 9.635 -7.325 -9.099 641 HB2 GLU 13 1HB GLU 13 5.853 -6.441 -8.639 642 HB3 GLU 13 2HB GLU 13 5.260 -5.004 -9.486 643 HG2 GLU 13 1HG GLU 13 7.392 -5.019 -10.259 644 HG3 GLU 13 2HG GLU 13 7.619 -4.049 -8.797 645 H GLU 14 H GLU 14 3.067 -4.537 -7.805 646 HA GLU 14 HA GLU 14 2.960 -1.920 -8.869 647 HE2 GLU 14 HE2 GLU 14 -1.444 -3.218 -11.114 648 HB2 GLU 14 1HB GLU 14 0.646 -3.331 -7.547 649 HB3 GLU 14 2HB GLU 14 0.606 -2.168 -8.881 650 HG2 GLU 14 1HG GLU 14 2.034 -4.010 -10.107 651 HG3 GLU 14 2HG GLU 14 1.266 -5.066 -8.912 652 H TRP 15 H TRP 15 2.888 -3.164 -5.636 653 HA TRP 15 HA TRP 15 1.651 -1.001 -4.331 654 HD1 TRP 15 HD1 TRP 15 2.309 0.259 -2.255 655 HE1 TRP 15 HE1 TRP 15 1.331 0.380 0.123 656 HE3 TRP 15 HE3 TRP 15 2.055 -4.743 -1.226 657 HZ2 TRP 15 HZ2 TRP 15 0.556 -1.408 2.164 658 HZ3 TRP 15 HZ3 TRP 15 1.185 -5.453 0.963 659 HH2 TRP 15 HH2 TRP 15 0.451 -3.819 2.622 660 HB2 TRP 15 1HB TRP 15 2.282 -3.361 -3.442 661 HB3 TRP 15 2HB TRP 15 3.842 -2.628 -3.070 662 H LYS 16 H LYS 16 5.124 -1.749 -4.675 663 HA LYS 16 HA LYS 16 5.958 0.768 -3.633 664 HB2 LYS 16 1HB LYS 16 8.193 0.103 -4.266 665 HB3 LYS 16 2HB LYS 16 7.352 -1.282 -3.552 666 HG2 LYS 16 1HG LYS 16 6.841 -2.071 -5.878 667 HG3 LYS 16 2HG LYS 16 7.920 -0.791 -6.463 668 HD2 LYS 16 1HD LYS 16 8.910 -2.685 -4.367 669 HD3 LYS 16 2HD LYS 16 8.828 -3.219 -6.055 670 HE2 LYS 16 1HE LYS 16 9.994 -0.710 -6.234 671 HE3 LYS 16 2HE LYS 16 10.697 -1.401 -4.765 672 HZ1 LYS 16 3HZ LYS 16 11.620 -3.162 -5.931 673 HZ2 LYS 16 1HZ LYS 16 11.841 -1.861 -6.989 674 HZ3 LYS 16 2HZ LYS 16 10.594 -2.970 -7.262 675 H LYS 17 H LYS 17 5.070 -0.382 -6.773 676 HA LYS 17 HA LYS 17 6.364 1.695 -8.260 677 HB2 LYS 17 1HB LYS 17 5.577 -0.635 -9.070 678 HB3 LYS 17 2HB LYS 17 3.989 0.132 -9.236 679 HG2 LYS 17 1HG LYS 17 4.577 1.279 -11.076 680 HG3 LYS 17 2HG LYS 17 6.209 1.608 -10.467 681 HD2 LYS 17 1HD LYS 17 7.099 -0.210 -11.467 682 HD3 LYS 17 2HD LYS 17 5.679 -1.211 -11.114 683 HE2 LYS 17 1HE LYS 17 4.636 0.518 -12.939 684 HE3 LYS 17 2HE LYS 17 6.313 0.401 -13.493 685 HZ1 LYS 17 3HZ LYS 17 6.057 -2.044 -13.468 686 HZ2 LYS 17 1HZ LYS 17 5.027 -1.279 -14.569 687 HZ3 LYS 17 2HZ LYS 17 4.418 -1.849 -13.098 688 H LEU 18 H LEU 18 2.899 1.023 -7.719 689 HA LEU 18 HA LEU 18 1.961 3.486 -8.629 690 HG LEU 18 HG LEU 18 0.818 1.390 -9.442 691 HB2 LEU 18 1HB LEU 18 0.851 1.431 -6.738 692 HB3 LEU 18 2HB LEU 18 -0.022 2.937 -7.072 693 HD11 LEU 18 1HD1 LEU 18 -1.336 0.404 -7.578 694 HD12 LEU 18 2HD1 LEU 18 0.161 -0.432 -7.991 695 HD13 LEU 18 3HD1 LEU 18 -1.071 -0.169 -9.225 696 HD21 LEU 18 3HD2 LEU 18 -0.484 3.170 -10.036 697 HD22 LEU 18 1HD2 LEU 18 -1.437 3.112 -8.553 698 HD23 LEU 18 2HD2 LEU 18 -1.735 1.941 -9.836 699 H ALA 19 H ALA 19 3.440 2.612 -5.633 700 HA ALA 19 HA ALA 19 2.467 4.823 -4.102 701 HB1 ALA 19 3HB ALA 19 4.550 2.727 -3.717 702 HB2 ALA 19 1HB ALA 19 4.569 4.154 -2.680 703 HB3 ALA 19 2HB ALA 19 3.144 3.116 -2.727 704 H GLU 20 H GLU 20 4.672 4.591 -6.618 705 HA GLU 20 HA GLU 20 6.585 6.528 -5.762 706 HE2 GLU 20 HE2 GLU 20 10.119 4.635 -8.774 707 HB2 GLU 20 1HB GLU 20 7.073 4.839 -7.493 708 HB3 GLU 20 2HB GLU 20 5.895 5.619 -8.561 709 HG2 GLU 20 1HG GLU 20 7.451 6.991 -9.319 710 HG3 GLU 20 2HG GLU 20 7.710 7.607 -7.680 711 H GLU 21 H GLU 21 3.800 6.648 -7.973 712 HA GLU 21 HA GLU 21 3.965 9.304 -8.733 713 HE2 GLU 21 HE2 GLU 21 -1.173 9.357 -6.892 714 HB2 GLU 21 1HB GLU 21 1.558 9.187 -9.189 715 HB3 GLU 21 2HB GLU 21 2.398 7.734 -9.750 716 HG2 GLU 21 1HG GLU 21 0.971 6.485 -8.616 717 HG3 GLU 21 2HG GLU 21 1.574 7.206 -7.117 718 H ALA 22 H ALA 22 2.716 7.902 -5.772 719 HA ALA 22 HA ALA 22 1.563 10.355 -4.816 720 HB1 ALA 22 3HB ALA 22 1.786 7.587 -3.875 721 HB2 ALA 22 1HB ALA 22 1.814 8.803 -2.596 722 HB3 ALA 22 2HB ALA 22 0.458 8.737 -3.723 723 H ALA 23 H ALA 23 4.631 8.700 -4.505 724 HA ALA 23 HA ALA 23 5.612 10.241 -2.320 725 HB1 ALA 23 3HB ALA 23 6.545 8.081 -3.957 726 HB2 ALA 23 1HB ALA 23 7.804 9.307 -3.802 727 HB3 ALA 23 2HB ALA 23 7.090 8.587 -2.358 728 H LYS 24 H LYS 24 6.075 10.413 -5.838 729 HA LYS 24 HA LYS 24 7.813 12.650 -5.779 730 HB2 LYS 24 1HB LYS 24 7.273 12.847 -8.200 731 HB3 LYS 24 2HB LYS 24 7.774 11.219 -7.716 732 HG2 LYS 24 1HG LYS 24 5.987 10.560 -8.897 733 HG3 LYS 24 2HG LYS 24 5.090 11.021 -7.439 734 HD2 LYS 24 1HD LYS 24 3.962 12.052 -9.251 735 HD3 LYS 24 2HD LYS 24 4.882 13.334 -8.441 736 HE2 LYS 24 1HE LYS 24 5.699 13.838 -10.465 737 HE3 LYS 24 2HE LYS 24 6.670 12.367 -10.300 738 HZ1 LYS 24 3HZ LYS 24 5.536 11.396 -11.921 739 HZ2 LYS 24 1HZ LYS 24 4.796 12.884 -12.237 740 HZ3 LYS 24 2HZ LYS 24 4.044 11.766 -11.214 741 H LEU 25 H LEU 25 4.318 12.307 -6.009 742 HA LEU 25 HA LEU 25 3.850 15.091 -6.514 743 HG LEU 25 HG LEU 25 2.586 13.187 -8.297 744 HB2 LEU 25 1HB LEU 25 2.166 12.691 -5.955 745 HB3 LEU 25 2HB LEU 25 1.458 14.299 -5.730 746 HD11 LEU 25 1HD1 LEU 25 0.339 12.355 -7.450 747 HD12 LEU 25 2HD1 LEU 25 0.374 13.052 -9.069 748 HD13 LEU 25 3HD1 LEU 25 -0.246 13.997 -7.716 749 HD21 LEU 25 3HD2 LEU 25 2.300 15.879 -7.451 750 HD22 LEU 25 1HD2 LEU 25 1.060 15.554 -8.662 751 HD23 LEU 25 2HD2 LEU 25 2.759 15.268 -9.041 752 H LEU 26 H LEU 26 3.842 12.988 -3.689 753 HA LEU 26 HA LEU 26 2.643 14.595 -1.805 754 HG LEU 26 HG LEU 26 2.087 12.314 -1.233 755 HB2 LEU 26 1HB LEU 26 4.661 12.449 -1.777 756 HB3 LEU 26 2HB LEU 26 4.676 13.514 -0.360 757 HD11 LEU 26 1HD1 LEU 26 2.483 10.243 -0.328 758 HD12 LEU 26 2HD1 LEU 26 3.837 10.806 0.651 759 HD13 LEU 26 3HD1 LEU 26 4.039 10.581 -1.086 760 HD21 LEU 26 3HD2 LEU 26 1.383 12.994 0.776 761 HD22 LEU 26 1HD2 LEU 26 2.850 13.972 0.815 762 HD23 LEU 26 2HD2 LEU 26 2.826 12.387 1.589 763 H GLU 27 H GLU 27 6.051 14.624 -2.813 764 HA GLU 27 HA GLU 27 6.455 17.092 -1.285 765 HE2 GLU 27 HE2 GLU 27 10.787 14.488 1.027 766 HB2 GLU 27 1HB GLU 27 8.573 15.516 -2.746 767 HB3 GLU 27 2HB GLU 27 8.791 16.696 -1.445 768 HG2 GLU 27 1HG GLU 27 7.135 14.737 -0.352 769 HG3 GLU 27 2HG GLU 27 8.347 13.854 -1.291 770 H GLY 28 H GLY 28 5.175 16.540 -4.092 771 HA2 GLY 28 1HA GLY 28 6.740 17.789 -6.048 772 HA3 GLY 28 2HA GLY 28 4.985 17.700 -6.062 773 H GLY 29 H GLY 29 5.268 19.144 -3.294 774 HA2 GLY 29 1HA GLY 29 6.207 21.515 -3.026 775 HA3 GLY 29 2HA GLY 29 5.303 21.833 -4.500 776 H GLY 30 H GLY 30 4.398 19.894 -1.664 777 HA2 GLY 30 1HA GLY 30 2.644 21.866 -0.589 778 HA3 GLY 30 2HA GLY 30 1.756 20.700 -1.559 779 H GLY 31 H GLY 31 4.314 20.677 0.935 780 HA2 GLY 31 1HA GLY 31 2.739 19.154 2.752 781 HA3 GLY 31 2HA GLY 31 3.881 18.121 1.905 782 H GLY 32 H GLY 32 5.584 17.709 3.140 783 HA2 GLY 32 1HA GLY 32 7.320 17.991 4.615 784 HA3 GLY 32 2HA GLY 32 7.393 19.640 4.010 785 H GLY 33 H GLY 33 4.533 18.404 5.580 786 HA2 GLY 33 1HA GLY 33 4.690 20.490 7.561 787 HA3 GLY 33 2HA GLY 33 3.402 19.306 7.388 788 H GLY 34 H GLY 34 6.893 19.213 8.145 789 HA2 GLY 34 1HA GLY 34 7.830 18.555 10.205 790 HA3 GLY 34 2HA GLY 34 6.264 17.925 10.691 791 H GLY 35 H GLY 35 6.122 16.572 7.957 792 HA2 GLY 35 1HA GLY 35 7.119 14.700 6.903 793 HA3 GLY 35 2HA GLY 35 8.162 14.499 8.303 794 H GLU 36 H GLU 36 5.650 14.880 10.010 795 HA GLU 36 HA GLU 36 5.158 12.188 10.549 796 HE2 GLU 36 HE2 GLU 36 1.785 14.857 14.383 797 HB2 GLU 36 1HB GLU 36 4.719 13.850 12.224 798 HB3 GLU 36 2HB GLU 36 3.528 14.648 11.185 799 HG2 GLU 36 1HG GLU 36 1.994 12.833 11.394 800 HG3 GLU 36 2HG GLU 36 3.209 11.843 12.215 801 H LEU 37 H LEU 37 3.412 14.473 8.507 802 HA LEU 37 HA LEU 37 1.153 12.917 7.970 803 HG LEU 37 HG LEU 37 1.399 13.839 4.679 804 HB2 LEU 37 1HB LEU 37 1.100 15.198 7.362 805 HB3 LEU 37 2HB LEU 37 2.576 15.041 6.395 806 HD11 LEU 37 1HD1 LEU 37 -0.833 13.813 6.677 807 HD12 LEU 37 2HD1 LEU 37 -0.132 12.472 5.772 808 HD13 LEU 37 3HD1 LEU 37 -1.151 13.653 4.950 809 HD21 LEU 37 3HD2 LEU 37 0.485 16.466 5.608 810 HD22 LEU 37 1HD2 LEU 37 -0.619 15.653 4.498 811 HD23 LEU 37 2HD2 LEU 37 1.051 15.954 4.017 812 H MET 38 H MET 38 4.229 13.160 6.200 813 HA MET 38 HA MET 38 3.552 11.278 4.204 814 HB2 MET 38 1HB MET 38 5.331 12.799 3.761 815 HB3 MET 38 2HB MET 38 6.203 12.298 5.219 816 HG2 MET 38 1HG MET 38 6.897 10.283 4.285 817 HG3 MET 38 2HG MET 38 5.641 10.329 3.044 818 HE1 MET 38 3HE MET 38 5.567 11.735 1.071 819 HE2 MET 38 1HE MET 38 5.984 13.341 1.670 820 HE3 MET 38 2HE MET 38 6.906 12.627 0.348 821 H LYS 39 H LYS 39 4.922 10.983 7.409 822 HA LYS 39 HA LYS 39 5.954 8.393 7.259 823 HB2 LYS 39 1HB LYS 39 6.357 9.904 9.150 824 HB3 LYS 39 2HB LYS 39 4.657 9.764 9.621 825 HG2 LYS 39 1HG LYS 39 5.519 7.133 9.485 826 HG3 LYS 39 2HG LYS 39 6.885 8.011 10.197 827 HD2 LYS 39 1HD LYS 39 5.606 8.787 12.008 828 HD3 LYS 39 2HD LYS 39 4.079 8.404 11.194 829 HE2 LYS 39 1HE LYS 39 4.387 6.064 11.487 830 HE3 LYS 39 2HE LYS 39 6.072 6.291 11.978 831 HZ1 LYS 39 3HZ LYS 39 3.927 7.534 13.561 832 HZ2 LYS 39 1HZ LYS 39 5.469 7.037 14.051 833 HZ3 LYS 39 2HZ LYS 39 4.262 5.888 13.760 834 H LEU 40 H LEU 40 2.671 9.532 7.587 835 HA LEU 40 HA LEU 40 1.510 7.091 8.433 836 HG LEU 40 HG LEU 40 0.800 9.706 9.572 837 HB2 LEU 40 1HB LEU 40 0.460 9.593 7.150 838 HB3 LEU 40 2HB LEU 40 -0.588 8.180 7.368 839 HD11 LEU 40 1HD1 LEU 40 -1.838 9.914 10.065 840 HD12 LEU 40 2HD1 LEU 40 -1.849 9.904 8.301 841 HD13 LEU 40 3HD1 LEU 40 -0.908 11.116 9.170 842 HD21 LEU 40 3HD2 LEU 40 -1.287 8.027 10.499 843 HD22 LEU 40 1HD2 LEU 40 0.434 7.949 10.872 844 HD23 LEU 40 2HD2 LEU 40 -0.211 7.051 9.499 845 H CYS 41 H CYS 41 1.408 8.665 5.230 846 HA CYS 41 HA CYS 41 0.377 6.408 3.891 847 HG CYS 41 HG CYS 41 3.391 8.331 1.734 848 HB2 CYS 41 1HB CYS 41 0.795 7.580 1.862 849 HB3 CYS 41 2HB CYS 41 0.289 8.778 3.065 850 H GLU 42 H GLU 42 3.572 7.287 4.857 851 HA GLU 42 HA GLU 42 5.037 5.745 2.993 852 HE2 GLU 42 HE2 GLU 42 10.247 6.711 5.595 853 HB2 GLU 42 1HB GLU 42 6.168 7.454 4.231 854 HB3 GLU 42 2HB GLU 42 5.704 6.716 5.772 855 HG2 GLU 42 1HG GLU 42 7.108 4.772 5.279 856 HG3 GLU 42 2HG GLU 42 7.580 5.519 3.745 857 H GLU 43 H GLU 43 3.281 4.942 5.866 858 HA GLU 43 HA GLU 43 4.506 2.584 6.661 859 HE2 GLU 43 HE2 GLU 43 3.974 2.272 10.723 860 HB2 GLU 43 1HB GLU 43 1.539 3.191 6.639 861 HB3 GLU 43 2HB GLU 43 2.341 1.953 7.619 862 HG2 GLU 43 1HG GLU 43 3.569 4.527 8.041 863 HG3 GLU 43 2HG GLU 43 1.823 4.600 8.324 864 H ALA 44 H ALA 44 2.028 3.087 4.176 865 HA ALA 44 HA ALA 44 1.468 0.476 3.493 866 HB1 ALA 44 3HB ALA 44 0.462 1.305 1.618 867 HB2 ALA 44 1HB ALA 44 0.596 2.787 2.566 868 HB3 ALA 44 2HB ALA 44 1.764 2.448 1.288 869 H ALA 45 H ALA 45 4.137 2.514 2.351 870 HA ALA 45 HA ALA 45 5.205 0.494 0.623 871 HB1 ALA 45 3HB ALA 45 5.744 3.262 1.221 872 HB2 ALA 45 1HB ALA 45 7.237 2.326 1.148 873 HB3 ALA 45 2HB ALA 45 6.129 2.328 -0.225 874 H LYS 46 H LYS 46 5.495 1.265 3.967 875 HA LYS 46 HA LYS 46 8.026 -0.012 4.389 876 HB2 LYS 46 1HB LYS 46 6.286 1.629 5.879 877 HB3 LYS 46 2HB LYS 46 6.403 0.103 6.769 878 HG2 LYS 46 1HG LYS 46 8.932 1.322 5.787 879 HG3 LYS 46 2HG LYS 46 8.106 2.088 7.156 880 HD2 LYS 46 1HD LYS 46 9.336 0.610 8.357 881 HD3 LYS 46 2HD LYS 46 7.992 -0.472 7.955 882 HE2 LYS 46 1HE LYS 46 9.424 -1.845 6.942 883 HE3 LYS 46 2HE LYS 46 9.767 -0.564 5.771 884 HZ1 LYS 46 3HZ LYS 46 11.840 -0.887 6.592 885 HZ2 LYS 46 1HZ LYS 46 11.302 -1.392 8.114 886 HZ3 LYS 46 2HZ LYS 46 11.314 0.253 7.726 887 H LYS 47 H LYS 47 4.644 -0.902 5.032 888 HA LYS 47 HA LYS 47 5.167 -3.438 6.116 889 HB2 LYS 47 1HB LYS 47 2.734 -2.452 4.607 890 HB3 LYS 47 2HB LYS 47 2.800 -3.933 5.575 891 HG2 LYS 47 1HG LYS 47 3.113 -1.105 6.586 892 HG3 LYS 47 2HG LYS 47 1.729 -2.183 6.836 893 HD2 LYS 47 1HD LYS 47 2.733 -2.723 8.771 894 HD3 LYS 47 2HD LYS 47 3.800 -3.711 7.757 895 HE2 LYS 47 1HE LYS 47 5.499 -2.083 7.736 896 HE3 LYS 47 2HE LYS 47 4.393 -0.818 8.294 897 HZ1 LYS 47 3HZ LYS 47 6.063 -2.363 9.849 898 HZ2 LYS 47 1HZ LYS 47 4.506 -2.940 10.173 899 HZ3 LYS 47 2HZ LYS 47 4.863 -1.301 10.391 900 H ALA 48 H ALA 48 4.681 -2.362 2.795 901 HA ALA 48 HA ALA 48 4.593 -4.953 1.638 902 HB1 ALA 48 3HB ALA 48 3.961 -2.551 0.698 903 HB2 ALA 48 1HB ALA 48 5.594 -2.663 0.039 904 HB3 ALA 48 2HB ALA 48 4.394 -3.892 -0.364 905 H GLU 49 H GLU 49 7.199 -2.578 2.067 906 HA GLU 49 HA GLU 49 9.184 -4.160 0.783 907 HE2 GLU 49 HE2 GLU 49 11.735 -3.784 -1.246 908 HB2 GLU 49 1HB GLU 49 9.372 -1.718 1.003 909 HB3 GLU 49 2HB GLU 49 9.507 -1.895 2.759 910 HG2 GLU 49 1HG GLU 49 11.706 -1.622 2.100 911 HG3 GLU 49 2HG GLU 49 11.542 -3.377 2.246 912 H GLU 50 H GLU 50 7.917 -4.001 4.014 913 HA GLU 50 HA GLU 50 10.092 -5.347 5.286 914 HE2 GLU 50 HE2 GLU 50 7.842 -4.885 10.609 915 HB2 GLU 50 1HB GLU 50 8.610 -3.929 6.581 916 HB3 GLU 50 2HB GLU 50 7.223 -4.942 6.148 917 HG2 GLU 50 1HG GLU 50 7.753 -6.575 7.632 918 HG3 GLU 50 2HG GLU 50 9.492 -6.279 7.493 919 H LEU 51 H LEU 51 6.870 -6.375 4.190 920 HA LEU 51 HA LEU 51 7.257 -9.107 4.892 921 HG LEU 51 HG LEU 51 5.640 -6.728 2.609 922 HB2 LEU 51 1HB LEU 51 5.221 -9.518 3.576 923 HB3 LEU 51 2HB LEU 51 5.035 -8.188 4.732 924 HD11 LEU 51 1HD1 LEU 51 5.107 -9.387 1.535 925 HD12 LEU 51 2HD1 LEU 51 5.875 -7.991 0.783 926 HD13 LEU 51 3HD1 LEU 51 4.116 -8.117 0.814 927 HD21 LEU 51 3HD2 LEU 51 3.301 -7.445 3.987 928 HD22 LEU 51 1HD2 LEU 51 2.901 -7.500 2.270 929 HD23 LEU 51 2HD2 LEU 51 3.566 -6.026 2.973 930 H PHE 52 H PHE 52 7.829 -7.202 2.011 931 HA PHE 52 HA PHE 52 8.180 -9.328 0.193 932 HD1 PHE 52 HD1 PHE 52 8.083 -9.033 -2.285 933 HD2 PHE 52 HD2 PHE 52 11.228 -6.396 -1.162 934 HE1 PHE 52 HE1 PHE 52 9.269 -9.564 -4.375 935 HE2 PHE 52 HE2 PHE 52 12.419 -6.920 -3.249 936 HZ PHE 52 HZ PHE 52 11.439 -8.505 -4.859 937 HB2 PHE 52 1HB PHE 52 7.840 -7.028 -0.555 938 HB3 PHE 52 2HB PHE 52 9.371 -6.547 0.178 939 H LYS 53 H LYS 53 10.267 -7.892 2.580 940 HA LYS 53 HA LYS 53 12.753 -8.782 1.640 941 HB2 LYS 53 1HB LYS 53 11.653 -7.990 4.304 942 HB3 LYS 53 2HB LYS 53 13.232 -8.791 4.246 943 HG2 LYS 53 1HG LYS 53 12.506 -6.271 2.746 944 HG3 LYS 53 2HG LYS 53 13.420 -6.346 4.263 945 HD2 LYS 53 1HD LYS 53 15.095 -7.809 3.083 946 HD3 LYS 53 2HD LYS 53 14.234 -7.443 1.577 947 HE2 LYS 53 1HE LYS 53 15.619 -5.686 1.403 948 HE3 LYS 53 2HE LYS 53 14.605 -4.952 2.654 949 HZ1 LYS 53 3HZ LYS 53 16.152 -6.081 4.294 950 HZ2 LYS 53 1HZ LYS 53 16.780 -4.762 3.441 951 HZ3 LYS 53 2HZ LYS 53 17.196 -6.338 2.988 952 H LEU 54 H LEU 54 10.631 -10.268 4.093 953 HA LEU 54 HA LEU 54 12.173 -12.679 4.175 954 HG LEU 54 HG LEU 54 10.499 -13.313 7.339 955 HB2 LEU 54 1HB LEU 54 10.178 -11.468 5.738 956 HB3 LEU 54 2HB LEU 54 9.495 -13.002 5.171 957 HD11 LEU 54 1HD1 LEU 54 11.657 -15.250 6.884 958 HD12 LEU 54 2HD1 LEU 54 12.480 -14.559 5.486 959 HD13 LEU 54 3HD1 LEU 54 10.776 -15.000 5.377 960 HD21 LEU 54 3HD2 LEU 54 13.257 -12.827 6.433 961 HD22 LEU 54 1HD2 LEU 54 12.498 -12.510 7.993 962 HD23 LEU 54 2HD2 LEU 54 12.261 -11.388 6.653 963 H ALA 55 H ALA 55 9.113 -11.703 2.697 964 HA ALA 55 HA ALA 55 8.348 -14.229 1.728 965 HB1 ALA 55 3HB ALA 55 6.757 -12.431 1.832 966 HB2 ALA 55 1HB ALA 55 7.704 -11.472 0.696 967 HB3 ALA 55 2HB ALA 55 6.915 -12.955 0.156 968 H GLU 56 H GLU 56 10.694 -11.940 0.616 969 HA GLU 56 HA GLU 56 10.890 -12.534 -2.078 970 HE2 GLU 56 HE2 GLU 56 14.423 -9.352 -3.743 971 HB2 GLU 56 1HB GLU 56 12.188 -10.742 -1.267 972 HB3 GLU 56 2HB GLU 56 12.967 -11.757 -0.043 973 HG2 GLU 56 1HG GLU 56 14.495 -12.599 -1.485 974 HG3 GLU 56 2HG GLU 56 13.384 -12.533 -2.862 975 H GLU 57 H GLU 57 11.752 -14.459 0.662 976 HA GLU 57 HA GLU 57 13.502 -16.242 -0.744 977 HE2 GLU 57 HE2 GLU 57 13.110 -20.250 3.687 978 HB2 GLU 57 1HB GLU 57 13.686 -15.900 1.681 979 HB3 GLU 57 2HB GLU 57 12.073 -16.596 1.896 980 HG2 GLU 57 1HG GLU 57 13.156 -18.640 0.618 981 HG3 GLU 57 2HG GLU 57 14.645 -17.933 1.263 982 H ARG 58 H ARG 58 10.211 -16.599 0.582 983 HA ARG 58 HA ARG 58 9.751 -19.112 -0.652 984 HE ARG 58 HE ARG 58 5.934 -17.273 -1.716 985 HB2 ARG 58 1HB ARG 58 7.319 -18.593 -0.112 986 HB3 ARG 58 2HB ARG 58 8.443 -18.628 1.254 987 HG2 ARG 58 1HG ARG 58 7.124 -16.753 1.664 988 HG3 ARG 58 2HG ARG 58 8.609 -16.094 0.955 989 HD2 ARG 58 1HD ARG 58 6.480 -15.105 0.053 990 HD3 ARG 58 2HD ARG 58 7.570 -15.788 -1.161 991 HH11 ARG 58 1HH1 ARG 58 5.300 -16.071 1.490 992 HH12 ARG 58 2HH1 ARG 58 3.779 -16.886 1.636 993 HH21 ARG 58 1HH2 ARG 58 3.933 -18.351 -1.535 994 HH22 ARG 58 2HH2 ARG 58 3.002 -18.184 -0.085 995 H LEU 59 H LEU 59 9.879 -16.004 -1.913 996 HA LEU 59 HA LEU 59 8.041 -16.620 -4.112 997 HG LEU 59 HG LEU 59 6.778 -14.699 -2.546 998 HB2 LEU 59 1HB LEU 59 9.144 -14.135 -2.922 999 HB3 LEU 59 2HB LEU 59 8.846 -14.131 -4.670 1000 HD11 LEU 59 1HD1 LEU 59 6.977 -12.452 -2.324 1001 HD12 LEU 59 2HD1 LEU 59 5.914 -12.477 -3.730 1002 HD13 LEU 59 3HD1 LEU 59 7.649 -12.236 -3.940 1003 HD21 LEU 59 3HD2 LEU 59 6.723 -14.699 -5.538 1004 HD22 LEU 59 1HD2 LEU 59 5.278 -14.282 -4.617 1005 HD23 LEU 59 2HD2 LEU 59 6.033 -15.862 -4.405 1006 H LYS 60 H LYS 60 11.223 -15.034 -3.805 1007 HA LYS 60 HA LYS 60 11.942 -15.959 -6.465 1008 HB2 LYS 60 1HB LYS 60 13.819 -14.468 -4.665 1009 HB3 LYS 60 2HB LYS 60 13.657 -14.394 -6.427 1010 HG2 LYS 60 1HG LYS 60 11.766 -13.209 -4.393 1011 HG3 LYS 60 2HG LYS 60 12.883 -12.333 -5.454 1012 HD2 LYS 60 1HD LYS 60 11.577 -13.618 -7.356 1013 HD3 LYS 60 2HD LYS 60 10.315 -13.697 -6.114 1014 HE2 LYS 60 1HE LYS 60 9.983 -11.732 -7.505 1015 HE3 LYS 60 2HE LYS 60 10.425 -11.254 -5.859 1016 HZ1 LYS 60 3HZ LYS 60 12.333 -10.337 -6.549 1017 HZ2 LYS 60 1HZ LYS 60 11.599 -10.311 -8.073 1018 HZ3 LYS 60 2HZ LYS 60 12.661 -11.563 -7.667 1019 H LYS 61 H LYS 61 13.742 -15.908 -3.387 1020 HA LYS 61 HA LYS 61 14.160 -18.657 -3.179 1021 HB2 LYS 61 1HB LYS 61 15.548 -17.704 -5.342 1022 HB3 LYS 61 2HB LYS 61 16.764 -17.616 -4.058 1023 HG2 LYS 61 1HG LYS 61 15.179 -20.095 -4.732 1024 HG3 LYS 61 2HG LYS 61 16.806 -19.737 -5.338 1025 HD2 LYS 61 1HD LYS 61 17.627 -19.616 -3.003 1026 HD3 LYS 61 2HD LYS 61 16.007 -20.074 -2.446 1027 HE2 LYS 61 1HE LYS 61 16.357 -22.094 -4.115 1028 HE3 LYS 61 2HE LYS 61 18.064 -21.710 -3.849 1029 HZ1 LYS 61 3HZ LYS 61 17.961 -22.309 -1.661 1030 HZ2 LYS 61 1HZ LYS 61 16.821 -23.380 -2.305 1031 HZ3 LYS 61 2HZ LYS 61 16.309 -21.976 -1.514 1032 H LEU 62 H LEU 62 16.226 -15.753 -2.942 1033 HA LEU 62 HA LEU 62 17.432 -14.894 -1.211 1034 HG LEU 62 HG LEU 62 16.324 -13.056 0.233 1035 HB2 LEU 62 1HB LEU 62 14.861 -14.802 -0.528 1036 HB3 LEU 62 2HB LEU 62 15.435 -15.890 0.746 1037 HD11 LEU 62 1HD1 LEU 62 15.315 -12.543 2.304 1038 HD12 LEU 62 2HD1 LEU 62 15.083 -14.246 2.700 1039 HD13 LEU 62 3HD1 LEU 62 14.135 -13.503 1.412 1040 HD21 LEU 62 3HD2 LEU 62 17.380 -15.083 2.202 1041 HD22 LEU 62 1HD2 LEU 62 17.755 -13.359 2.223 1042 HD23 LEU 62 2HD2 LEU 62 18.262 -14.355 0.859 1043 HC1 HLT 101 HC1 HLT 101 -0.233 -0.829 -2.754 Start of MODEL 15 1 HA MET 1 HA MET 1 -15.214 16.746 -1.015 2 H1 MET 1 1H MET 1 -17.882 16.898 0.197 3 HB2 MET 1 1HB MET 1 -16.881 15.830 -2.610 4 HB3 MET 1 2HB MET 1 -17.739 17.378 -2.551 5 HG2 MET 1 1HG MET 1 -15.522 18.431 -3.305 6 HG3 MET 1 2HG MET 1 -15.048 16.780 -3.715 7 HE1 MET 1 3HE MET 1 -16.454 19.801 -5.957 8 HE2 MET 1 1HE MET 1 -18.125 19.505 -5.477 9 HE3 MET 1 2HE MET 1 -16.889 19.773 -4.248 10 H LYS 2 H LYS 2 -14.205 18.688 -1.325 11 HA LYS 2 HA LYS 2 -15.664 21.069 -0.384 12 HB2 LYS 2 1HB LYS 2 -13.933 20.550 1.175 13 HB3 LYS 2 2HB LYS 2 -12.755 20.313 -0.124 14 HG2 LYS 2 1HG LYS 2 -12.350 22.417 1.003 15 HG3 LYS 2 2HG LYS 2 -12.874 22.698 -0.667 16 HD2 LYS 2 1HD LYS 2 -15.200 22.599 0.978 17 HD3 LYS 2 2HD LYS 2 -14.024 23.687 1.736 18 HE2 LYS 2 1HE LYS 2 -14.707 23.869 -1.196 19 HE3 LYS 2 2HE LYS 2 -15.647 24.705 0.048 20 HZ1 LYS 2 3HZ LYS 2 -14.131 26.304 -0.486 21 HZ2 LYS 2 1HZ LYS 2 -12.900 25.200 -0.844 22 HZ3 LYS 2 2HZ LYS 2 -13.290 25.538 0.767 23 H LYS 3 H LYS 3 -12.603 20.616 -2.135 24 HA LYS 3 HA LYS 3 -13.710 21.991 -4.459 25 HB2 LYS 3 1HB LYS 3 -11.758 23.134 -2.569 26 HB3 LYS 3 2HB LYS 3 -11.296 23.252 -4.274 27 HG2 LYS 3 1HG LYS 3 -13.877 24.075 -4.401 28 HG3 LYS 3 2HG LYS 3 -13.407 24.651 -2.791 29 HD2 LYS 3 1HD LYS 3 -11.659 25.148 -5.190 30 HD3 LYS 3 2HD LYS 3 -13.024 26.210 -4.805 31 HE2 LYS 3 1HE LYS 3 -11.716 27.311 -3.376 32 HE3 LYS 3 2HE LYS 3 -11.639 25.841 -2.394 33 HZ1 LYS 3 3HZ LYS 3 -9.547 25.459 -3.012 34 HZ2 LYS 3 1HZ LYS 3 -9.525 27.053 -3.580 35 HZ3 LYS 3 2HZ LYS 3 -9.857 25.780 -4.643 36 H LEU 4 H LEU 4 -10.388 21.299 -3.397 37 HA LEU 4 HA LEU 4 -10.187 19.201 -5.427 38 HG LEU 4 HG LEU 4 -7.406 22.417 -5.811 39 HB2 LEU 4 1HB LEU 4 -8.293 20.095 -6.483 40 HB3 LEU 4 2HB LEU 4 -9.440 21.440 -6.346 41 HD11 LEU 4 1HD1 LEU 4 -8.326 21.559 -3.083 42 HD12 LEU 4 2HD1 LEU 4 -9.224 22.709 -4.071 43 HD13 LEU 4 3HD1 LEU 4 -7.579 23.083 -3.560 44 HD21 LEU 4 3HD2 LEU 4 -5.593 21.394 -4.907 45 HD22 LEU 4 1HD2 LEU 4 -6.430 19.956 -5.490 46 HD23 LEU 4 2HD2 LEU 4 -6.555 20.421 -3.793 47 H ARG 5 H ARG 5 -9.878 19.981 -2.327 48 HA ARG 5 HA ARG 5 -7.301 18.959 -1.662 49 HE ARG 5 HE ARG 5 -10.754 22.982 -0.502 50 HB2 ARG 5 1HB ARG 5 -9.764 19.214 0.081 51 HB3 ARG 5 2HB ARG 5 -8.100 18.994 0.645 52 HG2 ARG 5 1HG ARG 5 -7.574 21.163 0.394 53 HG3 ARG 5 2HG ARG 5 -8.501 21.310 -1.109 54 HD2 ARG 5 1HD ARG 5 -10.532 20.997 0.635 55 HD3 ARG 5 2HD ARG 5 -9.337 21.765 1.688 56 HH11 ARG 5 1HH1 ARG 5 -7.937 23.132 1.538 57 HH12 ARG 5 2HH1 ARG 5 -7.687 24.829 1.290 58 HH21 ARG 5 1HH2 ARG 5 -10.436 25.216 -0.836 59 HH22 ARG 5 2HH2 ARG 5 -9.109 26.014 -0.061 60 H GLU 6 H GLU 6 -10.461 17.557 -2.128 61 HA GLU 6 HA GLU 6 -10.178 15.136 -0.799 62 HE2 GLU 6 HE2 GLU 6 -14.068 12.368 -3.720 63 HB2 GLU 6 1HB GLU 6 -12.116 16.257 -2.323 64 HB3 GLU 6 2HB GLU 6 -11.512 15.017 -3.433 65 HG2 GLU 6 1HG GLU 6 -11.837 13.867 -0.832 66 HG3 GLU 6 2HG GLU 6 -13.321 14.709 -1.302 67 H GLU 7 H GLU 7 -8.721 16.245 -3.742 68 HA GLU 7 HA GLU 7 -8.083 13.873 -5.017 69 HE2 GLU 7 HE2 GLU 7 -4.391 19.197 -5.718 70 HB2 GLU 7 1HB GLU 7 -6.408 15.055 -6.185 71 HB3 GLU 7 2HB GLU 7 -7.657 16.253 -5.810 72 HG2 GLU 7 1HG GLU 7 -6.272 16.880 -3.784 73 HG3 GLU 7 2HG GLU 7 -4.984 15.895 -4.493 74 H ALA 8 H ALA 8 -6.652 15.338 -2.185 75 HA ALA 8 HA ALA 8 -4.347 13.641 -2.120 76 HB1 ALA 8 3HB ALA 8 -3.670 14.908 -0.387 77 HB2 ALA 8 1HB ALA 8 -4.964 15.981 -0.919 78 HB3 ALA 8 2HB ALA 8 -5.243 14.852 0.407 79 H ALA 9 H ALA 9 -7.610 13.449 -0.930 80 HA ALA 9 HA ALA 9 -7.136 11.361 0.965 81 HB1 ALA 9 3HB ALA 9 -9.714 11.115 0.683 82 HB2 ALA 9 1HB ALA 9 -9.047 12.550 1.461 83 HB3 ALA 9 2HB ALA 9 -9.568 12.622 -0.222 84 H LYS 10 H LYS 10 -8.148 11.498 -2.408 85 HA LYS 10 HA LYS 10 -8.878 8.801 -2.709 86 HB2 LYS 10 1HB LYS 10 -7.641 10.515 -4.866 87 HB3 LYS 10 2HB LYS 10 -8.789 9.182 -5.060 88 HG2 LYS 10 1HG LYS 10 -10.270 10.803 -3.515 89 HG3 LYS 10 2HG LYS 10 -9.267 12.004 -4.348 90 HD2 LYS 10 1HD LYS 10 -11.125 11.786 -5.746 91 HD3 LYS 10 2HD LYS 10 -9.903 10.750 -6.502 92 HE2 LYS 10 1HE LYS 10 -11.092 8.988 -4.794 93 HE3 LYS 10 2HE LYS 10 -12.450 10.039 -5.218 94 HZ1 LYS 10 3HZ LYS 10 -10.735 9.041 -7.377 95 HZ2 LYS 10 1HZ LYS 10 -12.386 9.411 -7.397 96 HZ3 LYS 10 2HZ LYS 10 -11.849 7.977 -6.678 97 H LEU 11 H LEU 11 -5.778 10.400 -2.713 98 HA LEU 11 HA LEU 11 -4.171 8.562 -3.999 99 HG LEU 11 HG LEU 11 -4.132 11.717 -3.207 100 HB2 LEU 11 1HB LEU 11 -3.523 10.135 -1.498 101 HB3 LEU 11 2HB LEU 11 -2.343 9.372 -2.579 102 HD11 LEU 11 1HD1 LEU 11 -1.809 12.721 -3.654 103 HD12 LEU 11 2HD1 LEU 11 -1.200 11.369 -2.700 104 HD13 LEU 11 3HD1 LEU 11 -2.326 12.518 -1.978 105 HD21 LEU 11 3HD2 LEU 11 -3.086 11.746 -5.401 106 HD22 LEU 11 1HD2 LEU 11 -3.940 10.225 -5.144 107 HD23 LEU 11 2HD2 LEU 11 -2.182 10.281 -5.008 108 H PHE 12 H PHE 12 -5.248 8.551 -0.620 109 HA PHE 12 HA PHE 12 -3.849 6.146 0.037 110 HD1 PHE 12 HD2 PHE 12 -2.460 6.842 1.294 111 HD2 PHE 12 HD1 PHE 12 -5.514 9.349 2.876 112 HE1 PHE 12 HE2 PHE 12 -0.744 8.345 2.214 113 HE2 PHE 12 HE1 PHE 12 -3.803 10.858 3.797 114 HZ PHE 12 HZ PHE 12 -1.415 10.356 3.469 115 HB2 PHE 12 1HB PHE 12 -6.104 7.600 1.443 116 HB3 PHE 12 2HB PHE 12 -5.233 6.222 2.119 117 H GLU 13 H GLU 13 -6.960 6.907 -1.294 118 HA GLU 13 HA GLU 13 -8.432 4.645 -0.670 119 HE2 GLU 13 HE2 GLU 13 -12.090 3.633 -4.028 120 HB2 GLU 13 1HB GLU 13 -8.761 6.856 -2.309 121 HB3 GLU 13 2HB GLU 13 -8.808 5.491 -3.436 122 HG2 GLU 13 1HG GLU 13 -10.409 4.738 -1.255 123 HG3 GLU 13 2HG GLU 13 -10.820 6.419 -1.620 124 H GLU 14 H GLU 14 -5.881 5.074 -3.030 125 HA GLU 14 HA GLU 14 -6.313 2.649 -4.442 126 HE2 GLU 14 HE2 GLU 14 -4.445 5.035 -8.782 127 HB2 GLU 14 1HB GLU 14 -3.727 4.191 -4.146 128 HB3 GLU 14 2HB GLU 14 -4.130 3.029 -5.418 129 HG2 GLU 14 1HG GLU 14 -6.139 4.697 -5.833 130 HG3 GLU 14 2HG GLU 14 -5.024 5.836 -5.063 131 H TRP 15 H TRP 15 -4.431 3.520 -1.608 132 HA TRP 15 HA TRP 15 -2.924 1.143 -1.410 133 HD1 TRP 15 HD1 TRP 15 -2.005 -0.198 0.022 134 HE1 TRP 15 HE1 TRP 15 -0.026 -0.708 1.587 135 HE3 TRP 15 HE3 TRP 15 -1.613 4.342 2.342 136 HZ2 TRP 15 HZ2 TRP 15 1.499 0.636 3.546 137 HZ3 TRP 15 HZ3 TRP 15 0.133 4.646 4.049 138 HH2 TRP 15 HH2 TRP 15 1.655 2.831 4.637 139 HB2 TRP 15 1HB TRP 15 -2.652 3.415 -0.171 140 HB3 TRP 15 2HB TRP 15 -3.792 2.732 0.990 141 H LYS 16 H LYS 16 -6.042 2.098 -0.021 142 HA LYS 16 HA LYS 16 -6.394 -0.394 1.361 143 HB2 LYS 16 1HB LYS 16 -8.715 0.460 1.755 144 HB3 LYS 16 2HB LYS 16 -7.431 1.552 2.299 145 HG2 LYS 16 1HG LYS 16 -7.781 3.049 0.523 146 HG3 LYS 16 2HG LYS 16 -8.745 1.866 -0.379 147 HD2 LYS 16 1HD LYS 16 -9.664 2.772 2.327 148 HD3 LYS 16 2HD LYS 16 -9.930 3.803 0.909 149 HE2 LYS 16 1HE LYS 16 -10.769 1.393 -0.044 150 HE3 LYS 16 2HE LYS 16 -11.204 1.263 1.666 151 HZ1 LYS 16 3HZ LYS 16 -13.059 2.239 0.748 152 HZ2 LYS 16 1HZ LYS 16 -12.175 3.185 -0.341 153 HZ3 LYS 16 2HZ LYS 16 -12.211 3.594 1.300 154 H LYS 17 H LYS 17 -7.204 0.885 -1.767 155 HA LYS 17 HA LYS 17 -9.182 -1.085 -2.403 156 HB2 LYS 17 1HB LYS 17 -7.756 1.091 -3.851 157 HB3 LYS 17 2HB LYS 17 -8.457 -0.211 -4.824 158 HG2 LYS 17 1HG LYS 17 -10.054 1.302 -2.768 159 HG3 LYS 17 2HG LYS 17 -9.900 1.832 -4.452 160 HD2 LYS 17 1HD LYS 17 -10.591 -0.717 -4.895 161 HD3 LYS 17 2HD LYS 17 -11.364 -0.482 -3.316 162 HE2 LYS 17 1HE LYS 17 -12.449 1.589 -4.236 163 HE3 LYS 17 2HE LYS 17 -11.805 1.136 -5.821 164 HZ1 LYS 17 3HZ LYS 17 -13.866 0.195 -5.911 165 HZ2 LYS 17 1HZ LYS 17 -13.931 -0.135 -4.253 166 HZ3 LYS 17 2HZ LYS 17 -12.997 -1.108 -5.272 167 H LEU 18 H LEU 18 -5.826 -0.569 -3.492 168 HA LEU 18 HA LEU 18 -5.557 -2.863 -5.026 169 HG LEU 18 HG LEU 18 -4.620 -0.151 -5.299 170 HB2 LEU 18 1HB LEU 18 -3.482 -1.432 -3.359 171 HB3 LEU 18 2HB LEU 18 -3.125 -2.653 -4.594 172 HD11 LEU 18 1HD1 LEU 18 -2.520 0.920 -5.863 173 HD12 LEU 18 2HD1 LEU 18 -1.622 -0.464 -5.243 174 HD13 LEU 18 3HD1 LEU 18 -2.568 0.536 -4.142 175 HD21 LEU 18 3HD2 LEU 18 -3.277 -2.374 -6.707 176 HD22 LEU 18 1HD2 LEU 18 -3.079 -0.766 -7.405 177 HD23 LEU 18 2HD2 LEU 18 -4.695 -1.429 -7.163 178 H ALA 19 H ALA 19 -5.333 -2.441 -1.556 179 HA ALA 19 HA ALA 19 -4.174 -4.943 -0.940 180 HB1 ALA 19 3HB ALA 19 -4.421 -4.351 1.237 181 HB2 ALA 19 1HB ALA 19 -4.651 -2.762 0.509 182 HB3 ALA 19 2HB ALA 19 -6.050 -3.719 0.998 183 H GLU 20 H GLU 20 -7.411 -3.966 -1.725 184 HA GLU 20 HA GLU 20 -8.722 -6.263 -0.645 185 HE2 GLU 20 HE2 GLU 20 -11.370 -5.155 1.991 186 HB2 GLU 20 1HB GLU 20 -9.613 -3.862 -1.439 187 HB3 GLU 20 2HB GLU 20 -9.948 -4.787 -2.911 188 HG2 GLU 20 1HG GLU 20 -11.919 -5.136 -1.866 189 HG3 GLU 20 2HG GLU 20 -11.004 -6.468 -1.145 190 H GLU 21 H GLU 21 -7.771 -5.296 -3.934 191 HA GLU 21 HA GLU 21 -8.605 -7.761 -5.110 192 HE2 GLU 21 HE2 GLU 21 -10.757 -6.857 -8.475 193 HB2 GLU 21 1HB GLU 21 -6.673 -5.718 -6.230 194 HB3 GLU 21 2HB GLU 21 -7.579 -6.939 -7.138 195 HG2 GLU 21 1HG GLU 21 -9.372 -5.289 -5.595 196 HG3 GLU 21 2HG GLU 21 -8.328 -4.303 -6.628 197 H ALA 22 H ALA 22 -5.425 -6.377 -4.314 198 HA ALA 22 HA ALA 22 -3.833 -8.481 -5.183 199 HB1 ALA 22 3HB ALA 22 -2.926 -6.320 -4.520 200 HB2 ALA 22 1HB ALA 22 -3.355 -6.643 -2.839 201 HB3 ALA 22 2HB ALA 22 -2.132 -7.628 -3.643 202 H ALA 23 H ALA 23 -5.744 -8.156 -2.279 203 HA ALA 23 HA ALA 23 -4.546 -10.304 -0.844 204 HB1 ALA 23 3HB ALA 23 -5.670 -8.913 0.582 205 HB2 ALA 23 1HB ALA 23 -7.005 -8.657 -0.542 206 HB3 ALA 23 2HB ALA 23 -6.887 -10.170 0.358 207 H LYS 24 H LYS 24 -7.636 -10.044 -2.608 208 HA LYS 24 HA LYS 24 -8.336 -12.757 -2.359 209 HB2 LYS 24 1HB LYS 24 -9.903 -12.307 -4.240 210 HB3 LYS 24 2HB LYS 24 -10.010 -11.121 -2.929 211 HG2 LYS 24 1HG LYS 24 -8.663 -9.542 -4.221 212 HG3 LYS 24 2HG LYS 24 -8.547 -10.729 -5.533 213 HD2 LYS 24 1HD LYS 24 -10.279 -9.308 -6.214 214 HD3 LYS 24 2HD LYS 24 -11.111 -10.713 -5.528 215 HE2 LYS 24 1HE LYS 24 -12.201 -9.368 -4.126 216 HE3 LYS 24 2HE LYS 24 -10.650 -8.929 -3.395 217 HZ1 LYS 24 3HZ LYS 24 -10.572 -6.977 -4.498 218 HZ2 LYS 24 1HZ LYS 24 -12.253 -7.163 -4.531 219 HZ3 LYS 24 2HZ LYS 24 -11.330 -7.581 -5.884 220 H LEU 25 H LEU 25 -6.394 -11.028 -4.714 221 HA LEU 25 HA LEU 25 -6.216 -13.228 -6.544 222 HG LEU 25 HG LEU 25 -6.921 -11.011 -7.997 223 HB2 LEU 25 1HB LEU 25 -5.198 -10.479 -6.355 224 HB3 LEU 25 2HB LEU 25 -4.091 -11.619 -7.141 225 HD11 LEU 25 1HD1 LEU 25 -5.355 -9.203 -8.473 226 HD12 LEU 25 2HD1 LEU 25 -5.862 -10.014 -9.954 227 HD13 LEU 25 3HD1 LEU 25 -4.270 -10.342 -9.269 228 HD21 LEU 25 3HD2 LEU 25 -5.462 -13.346 -8.396 229 HD22 LEU 25 1HD2 LEU 25 -5.266 -12.430 -9.891 230 HD23 LEU 25 2HD2 LEU 25 -6.882 -12.814 -9.298 231 H LEU 26 H LEU 26 -4.202 -11.902 -3.969 232 HA LEU 26 HA LEU 26 -1.856 -13.291 -4.348 233 HG LEU 26 HG LEU 26 -1.299 -11.071 -3.408 234 HB2 LEU 26 1HB LEU 26 -3.260 -12.096 -2.053 235 HB3 LEU 26 2HB LEU 26 -2.086 -13.358 -1.639 236 HD11 LEU 26 1HD1 LEU 26 -2.296 -10.064 -1.425 237 HD12 LEU 26 2HD1 LEU 26 -0.545 -9.855 -1.430 238 HD13 LEU 26 3HD1 LEU 26 -1.284 -11.074 -0.392 239 HD21 LEU 26 3HD2 LEU 26 0.088 -13.195 -3.005 240 HD22 LEU 26 1HD2 LEU 26 0.360 -12.541 -1.390 241 HD23 LEU 26 2HD2 LEU 26 0.883 -11.632 -2.808 242 H GLU 27 H GLU 27 -4.725 -14.372 -2.541 243 HA GLU 27 HA GLU 27 -3.589 -17.042 -2.289 244 HE2 GLU 27 HE2 GLU 27 -6.829 -14.382 1.945 245 HB2 GLU 27 1HB GLU 27 -6.269 -16.025 -1.319 246 HB3 GLU 27 2HB GLU 27 -5.458 -17.522 -0.834 247 HG2 GLU 27 1HG GLU 27 -3.788 -16.361 0.368 248 HG3 GLU 27 2HG GLU 27 -4.267 -14.813 -0.341 249 H GLY 28 H GLY 28 -4.788 -15.630 -4.804 250 HA2 GLY 28 1HA GLY 28 -7.028 -17.256 -5.534 251 HA3 GLY 28 2HA GLY 28 -6.115 -16.200 -6.602 252 H GLY 29 H GLY 29 -5.531 -19.213 -4.771 253 HA2 GLY 29 1HA GLY 29 -4.440 -21.142 -5.375 254 HA3 GLY 29 2HA GLY 29 -5.237 -20.916 -6.925 255 H GLY 30 H GLY 30 -2.785 -18.842 -5.436 256 HA2 GLY 30 1HA GLY 30 -1.194 -19.065 -7.869 257 HA3 GLY 30 2HA GLY 30 -0.946 -17.914 -6.564 258 H GLY 31 H GLY 31 -0.651 -19.432 -4.363 259 HA2 GLY 31 1HA GLY 31 1.179 -21.617 -4.860 260 HA3 GLY 31 2HA GLY 31 1.945 -20.162 -4.242 261 H GLY 32 H GLY 32 0.114 -19.245 -2.428 262 HA2 GLY 32 1HA GLY 32 -0.898 -21.254 -0.696 263 HA3 GLY 32 2HA GLY 32 0.682 -20.719 -0.144 264 H GLY 33 H GLY 33 0.749 -19.017 1.174 265 HA2 GLY 33 1HA GLY 33 0.152 -17.034 2.193 266 HA3 GLY 33 2HA GLY 33 -1.054 -16.806 0.935 267 H GLY 34 H GLY 34 -0.634 -17.260 4.176 268 HA2 GLY 34 1HA GLY 34 -3.308 -17.290 4.850 269 HA3 GLY 34 2HA GLY 34 -2.832 -18.980 4.773 270 H GLY 35 H GLY 35 -2.283 -15.912 6.400 271 HA2 GLY 35 1HA GLY 35 -2.213 -16.515 8.943 272 HA3 GLY 35 2HA GLY 35 -0.698 -17.266 8.464 273 H GLU 36 H GLU 36 0.868 -16.032 9.285 274 HA GLU 36 HA GLU 36 0.634 -13.214 9.618 275 HE2 GLU 36 HE2 GLU 36 4.916 -12.124 12.978 276 HB2 GLU 36 1HB GLU 36 2.020 -14.420 11.146 277 HB3 GLU 36 2HB GLU 36 2.981 -15.099 9.823 278 HG2 GLU 36 1HG GLU 36 4.370 -13.372 9.828 279 HG3 GLU 36 2HG GLU 36 3.025 -12.226 9.729 280 H LEU 37 H LEU 37 2.100 -15.296 7.197 281 HA LEU 37 HA LEU 37 3.692 -13.500 5.831 282 HG LEU 37 HG LEU 37 2.236 -14.539 2.901 283 HB2 LEU 37 1HB LEU 37 3.816 -15.747 5.178 284 HB3 LEU 37 2HB LEU 37 2.065 -15.850 4.926 285 HD11 LEU 37 1HD1 LEU 37 4.879 -14.338 2.247 286 HD12 LEU 37 2HD1 LEU 37 4.892 -13.944 3.966 287 HD13 LEU 37 3HD1 LEU 37 3.877 -13.021 2.858 288 HD21 LEU 37 3HD2 LEU 37 3.811 -16.082 1.608 289 HD22 LEU 37 1HD2 LEU 37 2.469 -16.829 2.476 290 HD23 LEU 37 2HD2 LEU 37 4.095 -16.882 3.156 291 H MET 38 H MET 38 0.285 -14.280 5.100 292 HA MET 38 HA MET 38 0.015 -12.175 3.204 293 HB2 MET 38 1HB MET 38 -1.375 -14.212 3.162 294 HB3 MET 38 2HB MET 38 -2.131 -13.711 4.681 295 HG2 MET 38 1HG MET 38 -2.403 -11.524 2.936 296 HG3 MET 38 2HG MET 38 -2.787 -12.966 1.994 297 HE1 MET 38 3HE MET 38 -4.947 -11.765 5.889 298 HE2 MET 38 1HE MET 38 -3.307 -12.413 5.883 299 HE3 MET 38 2HE MET 38 -3.637 -10.844 5.149 300 H LYS 39 H LYS 39 -0.320 -12.389 6.641 301 HA LYS 39 HA LYS 39 -2.047 -10.296 7.203 302 HB2 LYS 39 1HB LYS 39 -0.827 -11.980 8.773 303 HB3 LYS 39 2HB LYS 39 0.428 -10.734 8.843 304 HG2 LYS 39 1HG LYS 39 -1.755 -9.230 9.355 305 HG3 LYS 39 2HG LYS 39 -2.253 -10.784 10.048 306 HD2 LYS 39 1HD LYS 39 0.170 -10.726 11.097 307 HD3 LYS 39 2HD LYS 39 -0.017 -8.982 10.844 308 HE2 LYS 39 1HE LYS 39 -0.849 -9.240 12.992 309 HE3 LYS 39 2HE LYS 39 -2.317 -9.315 12.005 310 HZ1 LYS 39 3HZ LYS 39 -2.706 -11.390 12.653 311 HZ2 LYS 39 1HZ LYS 39 -1.506 -11.177 13.827 312 HZ3 LYS 39 2HZ LYS 39 -1.119 -11.887 12.342 313 H LEU 40 H LEU 40 1.235 -10.222 6.061 314 HA LEU 40 HA LEU 40 1.794 -7.516 6.743 315 HG LEU 40 HG LEU 40 3.629 -9.294 7.420 316 HB2 LEU 40 1HB LEU 40 3.010 -9.556 4.922 317 HB3 LEU 40 2HB LEU 40 3.505 -7.859 4.789 318 HD11 LEU 40 1HD1 LEU 40 4.918 -10.326 5.295 319 HD12 LEU 40 2HD1 LEU 40 5.551 -10.368 6.940 320 HD13 LEU 40 3HD1 LEU 40 6.095 -9.122 5.819 321 HD21 LEU 40 3HD2 LEU 40 3.861 -6.881 7.457 322 HD22 LEU 40 1HD2 LEU 40 5.128 -6.962 6.232 323 HD23 LEU 40 2HD2 LEU 40 5.405 -7.646 7.833 324 H CYS 41 H CYS 41 0.242 -9.086 4.037 325 HA CYS 41 HA CYS 41 0.297 -6.800 2.316 326 HG CYS 41 HG CYS 41 1.007 -10.259 2.443 327 HB2 CYS 41 1HB CYS 41 -1.596 -9.144 2.161 328 HB3 CYS 41 2HB CYS 41 -1.088 -8.078 0.840 329 H GLU 42 H GLU 42 -2.145 -8.291 4.414 330 HA GLU 42 HA GLU 42 -4.287 -6.619 3.813 331 HE2 GLU 42 HE2 GLU 42 -7.968 -9.767 5.410 332 HB2 GLU 42 1HB GLU 42 -4.184 -8.747 5.280 333 HB3 GLU 42 2HB GLU 42 -3.790 -7.632 6.598 334 HG2 GLU 42 1HG GLU 42 -5.883 -6.807 6.730 335 HG3 GLU 42 2HG GLU 42 -6.143 -6.914 4.984 336 H GLU 43 H GLU 43 -1.436 -6.022 5.682 337 HA GLU 43 HA GLU 43 -2.247 -3.953 7.343 338 HE2 GLU 43 HE2 GLU 43 1.064 -3.827 10.788 339 HB2 GLU 43 1HB GLU 43 0.374 -4.461 5.930 340 HB3 GLU 43 2HB GLU 43 0.153 -3.136 7.083 341 HG2 GLU 43 1HG GLU 43 -0.625 -5.868 7.958 342 HG3 GLU 43 2HG GLU 43 1.099 -5.497 7.810 343 H ALA 44 H ALA 44 -1.526 -3.932 3.913 344 HA ALA 44 HA ALA 44 -1.224 -1.236 3.411 345 HB1 ALA 44 3HB ALA 44 -2.526 -1.911 1.203 346 HB2 ALA 44 1HB ALA 44 -0.881 -2.459 1.523 347 HB3 ALA 44 2HB ALA 44 -2.244 -3.533 1.834 348 H ALA 45 H ALA 45 -4.221 -3.081 3.797 349 HA ALA 45 HA ALA 45 -5.922 -0.842 3.252 350 HB1 ALA 45 3HB ALA 45 -7.327 -2.532 2.934 351 HB2 ALA 45 1HB ALA 45 -6.238 -3.660 3.742 352 HB3 ALA 45 2HB ALA 45 -7.402 -2.728 4.685 353 H LYS 46 H LYS 46 -4.282 -2.055 6.028 354 HA LYS 46 HA LYS 46 -5.975 -0.849 7.994 355 HB2 LYS 46 1HB LYS 46 -3.621 -2.516 7.944 356 HB3 LYS 46 2HB LYS 46 -3.404 -1.182 9.088 357 HG2 LYS 46 1HG LYS 46 -6.027 -2.354 9.375 358 HG3 LYS 46 2HG LYS 46 -4.753 -3.577 9.529 359 HD2 LYS 46 1HD LYS 46 -3.624 -1.761 11.069 360 HD3 LYS 46 2HD LYS 46 -5.290 -1.174 11.215 361 HE2 LYS 46 1HE LYS 46 -5.741 -2.760 12.713 362 HE3 LYS 46 2HE LYS 46 -5.325 -4.000 11.520 363 HZ1 LYS 46 3HZ LYS 46 -3.125 -4.077 12.257 364 HZ2 LYS 46 1HZ LYS 46 -4.030 -3.988 13.684 365 HZ3 LYS 46 2HZ LYS 46 -3.242 -2.612 13.095 366 H LYS 47 H LYS 47 -2.830 -0.003 6.573 367 HA LYS 47 HA LYS 47 -2.401 2.356 8.017 368 HB2 LYS 47 1HB LYS 47 -1.406 1.235 5.436 369 HB3 LYS 47 2HB LYS 47 -1.101 2.947 5.774 370 HG2 LYS 47 1HG LYS 47 0.812 1.906 6.566 371 HG3 LYS 47 2HG LYS 47 -0.171 2.125 8.026 372 HD2 LYS 47 1HD LYS 47 -1.069 -0.261 7.468 373 HD3 LYS 47 2HD LYS 47 0.407 -0.379 6.494 374 HE2 LYS 47 1HE LYS 47 0.936 -1.284 8.629 375 HE3 LYS 47 2HE LYS 47 1.693 0.313 8.545 376 HZ1 LYS 47 3HZ LYS 47 0.395 -0.337 10.648 377 HZ2 LYS 47 1HZ LYS 47 -0.986 0.008 9.733 378 HZ3 LYS 47 2HZ LYS 47 0.169 1.213 10.007 379 H ALA 48 H ALA 48 -3.669 1.999 4.699 380 HA ALA 48 HA ALA 48 -4.294 4.641 4.205 381 HB1 ALA 48 3HB ALA 48 -6.349 3.051 3.061 382 HB2 ALA 48 1HB ALA 48 -4.927 3.743 2.281 383 HB3 ALA 48 2HB ALA 48 -4.844 2.134 3.001 384 H GLU 49 H GLU 49 -6.086 2.252 6.054 385 HA GLU 49 HA GLU 49 -8.505 3.690 6.278 386 HE2 GLU 49 HE2 GLU 49 -11.229 -0.151 9.581 387 HB2 GLU 49 1HB GLU 49 -8.485 1.347 6.777 388 HB3 GLU 49 2HB GLU 49 -7.260 1.575 8.034 389 HG2 GLU 49 1HG GLU 49 -8.753 2.224 9.585 390 HG3 GLU 49 2HG GLU 49 -9.740 3.103 8.408 391 H GLU 50 H GLU 50 -5.624 3.545 8.339 392 HA GLU 50 HA GLU 50 -6.677 5.342 10.299 393 HE2 GLU 50 HE2 GLU 50 -7.338 4.646 13.838 394 HB2 GLU 50 1HB GLU 50 -4.083 3.982 9.786 395 HB3 GLU 50 2HB GLU 50 -4.038 5.454 10.771 396 HG2 GLU 50 1HG GLU 50 -5.666 2.975 11.330 397 HG3 GLU 50 2HG GLU 50 -4.204 3.496 12.178 398 H LEU 51 H LEU 51 -4.677 5.659 7.433 399 HA LEU 51 HA LEU 51 -3.923 8.370 7.905 400 HG LEU 51 HG LEU 51 -1.942 6.769 7.421 401 HB2 LEU 51 1HB LEU 51 -3.786 6.486 5.585 402 HB3 LEU 51 2HB LEU 51 -3.507 8.217 5.324 403 HD11 LEU 51 1HD1 LEU 51 -1.224 5.336 5.848 404 HD12 LEU 51 2HD1 LEU 51 -0.265 6.710 5.300 405 HD13 LEU 51 3HD1 LEU 51 -1.801 6.340 4.518 406 HD21 LEU 51 3HD2 LEU 51 -1.567 9.197 5.691 407 HD22 LEU 51 1HD2 LEU 51 -0.228 8.449 6.564 408 HD23 LEU 51 2HD2 LEU 51 -1.609 9.092 7.453 409 H PHE 52 H PHE 52 -6.577 6.784 6.253 410 HA PHE 52 HA PHE 52 -7.580 8.899 4.758 411 HD1 PHE 52 HD1 PHE 52 -9.558 8.340 2.903 412 HD2 PHE 52 HD2 PHE 52 -11.146 7.424 6.744 413 HE1 PHE 52 HE1 PHE 52 -11.743 9.234 2.209 414 HE2 PHE 52 HE2 PHE 52 -13.333 8.315 6.056 415 HZ PHE 52 HZ PHE 52 -13.634 9.221 3.786 416 HB2 PHE 52 1HB PHE 52 -8.463 6.677 4.477 417 HB3 PHE 52 2HB PHE 52 -9.025 6.639 6.149 418 H LYS 53 H LYS 53 -7.699 8.319 8.179 419 HA LYS 53 HA LYS 53 -9.849 9.873 8.966 420 HB2 LYS 53 1HB LYS 53 -7.747 8.549 10.224 421 HB3 LYS 53 2HB LYS 53 -7.559 10.239 10.720 422 HG2 LYS 53 1HG LYS 53 -9.942 8.443 11.132 423 HG3 LYS 53 2HG LYS 53 -8.904 9.193 12.358 424 HD2 LYS 53 1HD LYS 53 -9.816 11.353 10.881 425 HD3 LYS 53 2HD LYS 53 -11.221 10.274 10.969 426 HE2 LYS 53 1HE LYS 53 -11.336 11.724 12.861 427 HE3 LYS 53 2HE LYS 53 -10.845 10.126 13.443 428 HZ1 LYS 53 3HZ LYS 53 -9.514 12.560 13.771 429 HZ2 LYS 53 1HZ LYS 53 -8.535 11.576 12.804 430 HZ3 LYS 53 2HZ LYS 53 -9.045 11.032 14.322 431 H LEU 54 H LEU 54 -6.497 10.887 8.372 432 HA LEU 54 HA LEU 54 -6.988 13.632 8.961 433 HG LEU 54 HG LEU 54 -3.366 13.609 9.296 434 HB2 LEU 54 1HB LEU 54 -4.752 11.974 8.081 435 HB3 LEU 54 2HB LEU 54 -4.763 13.581 7.333 436 HD11 LEU 54 1HD1 LEU 54 -4.055 15.644 9.892 437 HD12 LEU 54 2HD1 LEU 54 -5.604 15.045 10.482 438 HD13 LEU 54 3HD1 LEU 54 -5.387 15.387 8.766 439 HD21 LEU 54 3HD2 LEU 54 -5.547 13.177 11.216 440 HD22 LEU 54 1HD2 LEU 54 -3.861 12.662 11.273 441 HD23 LEU 54 2HD2 LEU 54 -5.033 11.741 10.329 442 H ALA 55 H ALA 55 -7.219 11.654 6.106 443 HA ALA 55 HA ALA 55 -7.115 13.551 4.089 444 HB1 ALA 55 3HB ALA 55 -7.455 11.706 2.908 445 HB2 ALA 55 1HB ALA 55 -7.971 10.842 4.356 446 HB3 ALA 55 2HB ALA 55 -9.151 11.730 3.389 447 H GLU 56 H GLU 56 -9.625 12.914 6.417 448 HA GLU 56 HA GLU 56 -11.665 14.383 5.033 449 HE2 GLU 56 HE2 GLU 56 -11.627 11.097 3.762 450 HB2 GLU 56 1HB GLU 56 -11.707 13.829 7.986 451 HB3 GLU 56 2HB GLU 56 -13.058 13.898 6.844 452 HG2 GLU 56 1HG GLU 56 -10.994 11.713 7.092 453 HG3 GLU 56 2HG GLU 56 -12.713 11.625 7.500 454 H GLU 57 H GLU 57 -9.213 15.095 7.415 455 HA GLU 57 HA GLU 57 -10.206 17.528 8.386 456 HE2 GLU 57 HE2 GLU 57 -6.250 18.890 12.014 457 HB2 GLU 57 1HB GLU 57 -8.392 16.442 9.518 458 HB3 GLU 57 2HB GLU 57 -7.374 16.529 8.073 459 HG2 GLU 57 1HG GLU 57 -6.615 18.534 8.624 460 HG3 GLU 57 2HG GLU 57 -8.259 19.155 8.825 461 H ARG 58 H ARG 58 -8.096 16.824 5.625 462 HA ARG 58 HA ARG 58 -7.889 19.595 4.877 463 HE ARG 58 HE ARG 58 -5.550 16.725 7.354 464 HB2 ARG 58 1HB ARG 58 -7.090 17.047 3.450 465 HB3 ARG 58 2HB ARG 58 -6.747 18.675 2.849 466 HG2 ARG 58 1HG ARG 58 -4.773 18.322 3.886 467 HG3 ARG 58 2HG ARG 58 -5.685 18.902 5.289 468 HD2 ARG 58 1HD ARG 58 -6.286 16.213 5.258 469 HD3 ARG 58 2HD ARG 58 -4.600 16.251 4.726 470 HH11 ARG 58 1HH1 ARG 58 -3.129 17.751 5.072 471 HH12 ARG 58 2HH1 ARG 58 -2.001 18.241 6.292 472 HH21 ARG 58 1HH2 ARG 58 -4.072 17.365 8.969 473 HH22 ARG 58 2HH2 ARG 58 -2.538 18.020 8.508 474 H LEU 59 H LEU 59 -9.986 16.938 4.155 475 HA LEU 59 HA LEU 59 -11.075 18.151 1.766 476 HG LEU 59 HG LEU 59 -12.855 15.013 1.035 477 HB2 LEU 59 1HB LEU 59 -10.872 15.687 2.066 478 HB3 LEU 59 2HB LEU 59 -12.099 15.795 3.342 479 HD11 LEU 59 1HD1 LEU 59 -14.458 17.379 1.838 480 HD12 LEU 59 2HD1 LEU 59 -14.200 16.109 3.033 481 HD13 LEU 59 3HD1 LEU 59 -14.968 15.726 1.492 482 HD21 LEU 59 3HD2 LEU 59 -13.216 16.600 -0.662 483 HD22 LEU 59 1HD2 LEU 59 -11.562 16.873 -0.116 484 HD23 LEU 59 2HD2 LEU 59 -12.853 17.953 0.411 485 H LYS 60 H LYS 60 -12.777 16.948 4.648 486 HA LYS 60 HA LYS 60 -14.579 19.259 4.449 487 HB2 LYS 60 1HB LYS 60 -16.102 17.900 5.894 488 HB3 LYS 60 2HB LYS 60 -15.749 17.168 4.321 489 HG2 LYS 60 1HG LYS 60 -13.798 16.224 6.150 490 HG3 LYS 60 2HG LYS 60 -15.391 16.068 6.914 491 HD2 LYS 60 1HD LYS 60 -15.930 15.181 4.392 492 HD3 LYS 60 2HD LYS 60 -14.255 14.642 4.609 493 HE2 LYS 60 1HE LYS 60 -15.397 12.836 5.470 494 HE3 LYS 60 2HE LYS 60 -15.137 13.805 6.929 495 HZ1 LYS 60 3HZ LYS 60 -17.321 14.364 7.067 496 HZ2 LYS 60 1HZ LYS 60 -17.493 12.861 6.311 497 HZ3 LYS 60 2HZ LYS 60 -17.584 14.281 5.398 498 H LYS 61 H LYS 61 -15.642 19.500 6.868 499 HA LYS 61 HA LYS 61 -13.368 20.354 8.506 500 HB2 LYS 61 1HB LYS 61 -15.333 21.886 7.772 501 HB3 LYS 61 2HB LYS 61 -16.236 21.063 9.054 502 HG2 LYS 61 1HG LYS 61 -14.923 21.945 10.747 503 HG3 LYS 61 2HG LYS 61 -13.579 22.298 9.646 504 HD2 LYS 61 1HD LYS 61 -14.320 24.397 9.527 505 HD3 LYS 61 2HD LYS 61 -15.727 23.773 8.647 506 HE2 LYS 61 1HE LYS 61 -16.846 23.369 10.858 507 HE3 LYS 61 2HE LYS 61 -15.482 24.199 11.621 508 HZ1 LYS 61 3HZ LYS 61 -16.073 26.217 10.683 509 HZ2 LYS 61 1HZ LYS 61 -17.575 25.541 11.067 510 HZ3 LYS 61 2HZ LYS 61 -17.017 25.511 9.470 511 H LEU 62 H LEU 62 -16.022 18.133 8.454 512 HA LEU 62 HA LEU 62 -16.646 16.446 9.845 513 HG LEU 62 HG LEU 62 -15.048 14.692 9.349 514 HB2 LEU 62 1HB LEU 62 -13.833 16.754 10.188 515 HB3 LEU 62 2HB LEU 62 -14.559 16.414 11.769 516 HD11 LEU 62 1HD1 LEU 62 -12.641 14.767 9.853 517 HD12 LEU 62 2HD1 LEU 62 -13.350 13.187 10.184 518 HD13 LEU 62 3HD1 LEU 62 -12.989 14.288 11.515 519 HD21 LEU 62 3HD2 LEU 62 -16.679 14.511 11.161 520 HD22 LEU 62 1HD2 LEU 62 -15.375 14.198 12.307 521 HD23 LEU 62 2HD2 LEU 62 -15.712 13.042 11.018 522 HA MET 1 HA MET 1 11.945 -16.143 -11.521 523 H1 MET 1 1H MET 1 14.762 -16.962 -11.506 524 HB2 MET 1 1HB MET 1 13.133 -15.000 -13.377 525 HB3 MET 1 2HB MET 1 13.595 -16.585 -14.014 526 HG2 MET 1 1HG MET 1 11.078 -17.094 -14.073 527 HG3 MET 1 2HG MET 1 10.870 -15.352 -13.875 528 HE1 MET 1 3HE MET 1 10.732 -17.716 -17.118 529 HE2 MET 1 1HE MET 1 12.489 -17.775 -17.269 530 HE3 MET 1 2HE MET 1 11.718 -18.249 -15.756 531 H LYS 2 H LYS 2 10.490 -17.771 -11.848 532 HA LYS 2 HA LYS 2 11.616 -20.480 -12.127 533 HB2 LYS 2 1HB LYS 2 10.681 -20.245 -9.945 534 HB3 LYS 2 2HB LYS 2 9.212 -19.496 -10.592 535 HG2 LYS 2 1HG LYS 2 8.764 -21.776 -9.913 536 HG3 LYS 2 2HG LYS 2 8.611 -21.609 -11.672 537 HD2 LYS 2 1HD LYS 2 11.320 -22.277 -11.087 538 HD3 LYS 2 2HD LYS 2 10.265 -23.394 -10.203 539 HE2 LYS 2 1HE LYS 2 9.847 -22.779 -13.127 540 HE3 LYS 2 2HE LYS 2 10.945 -24.052 -12.574 541 HZ1 LYS 2 3HZ LYS 2 9.025 -25.227 -12.830 542 HZ2 LYS 2 1HZ LYS 2 8.022 -23.931 -12.415 543 HZ3 LYS 2 2HZ LYS 2 8.853 -24.775 -11.209 544 H LYS 3 H LYS 3 8.322 -19.168 -12.395 545 HA LYS 3 HA LYS 3 8.237 -19.893 -15.218 546 HB2 LYS 3 1HB LYS 3 6.868 -21.350 -13.051 547 HB3 LYS 3 2HB LYS 3 5.832 -20.899 -14.416 548 HG2 LYS 3 1HG LYS 3 7.977 -21.905 -15.733 549 HG3 LYS 3 2HG LYS 3 7.985 -22.888 -14.258 550 HD2 LYS 3 1HD LYS 3 5.454 -22.458 -15.829 551 HD3 LYS 3 2HD LYS 3 6.614 -23.722 -16.272 552 HE2 LYS 3 1HE LYS 3 5.679 -25.061 -14.753 553 HE3 LYS 3 2HE LYS 3 6.253 -23.953 -13.499 554 HZ1 LYS 3 3HZ LYS 3 4.205 -23.190 -13.144 555 HZ2 LYS 3 1HZ LYS 3 3.658 -24.529 -14.021 556 HZ3 LYS 3 2HZ LYS 3 3.860 -23.037 -14.793 557 H LEU 4 H LEU 4 5.717 -19.216 -12.802 558 HA LEU 4 HA LEU 4 5.264 -16.598 -14.030 559 HG LEU 4 HG LEU 4 1.914 -19.244 -14.016 560 HB2 LEU 4 1HB LEU 4 2.976 -16.935 -14.422 561 HB3 LEU 4 2HB LEU 4 3.786 -18.372 -15.071 562 HD11 LEU 4 1HD1 LEU 4 3.898 -19.337 -11.762 563 HD12 LEU 4 2HD1 LEU 4 4.122 -20.231 -13.265 564 HD13 LEU 4 3HD1 LEU 4 2.725 -20.564 -12.243 565 HD21 LEU 4 3HD2 LEU 4 0.798 -18.354 -12.253 566 HD22 LEU 4 1HD2 LEU 4 1.657 -16.902 -12.769 567 HD23 LEU 4 2HD2 LEU 4 2.273 -17.860 -11.422 568 H ARG 5 H ARG 5 5.912 -18.227 -11.339 569 HA ARG 5 HA ARG 5 4.014 -17.187 -9.485 570 HE ARG 5 HE ARG 5 6.734 -21.707 -10.774 571 HB2 ARG 5 1HB ARG 5 6.823 -18.197 -8.975 572 HB3 ARG 5 2HB ARG 5 5.548 -17.989 -7.765 573 HG2 ARG 5 1HG ARG 5 4.531 -19.921 -8.290 574 HG3 ARG 5 2HG ARG 5 4.816 -19.707 -10.026 575 HD2 ARG 5 1HD ARG 5 7.349 -20.131 -9.218 576 HD3 ARG 5 2HD ARG 5 6.476 -21.052 -7.983 577 HH11 ARG 5 1HH1 ARG 5 4.862 -22.164 -7.874 578 HH12 ARG 5 2HH1 ARG 5 4.194 -23.677 -8.387 579 HH21 ARG 5 1HH2 ARG 5 5.860 -23.699 -11.462 580 HH22 ARG 5 2HH2 ARG 5 4.763 -24.549 -10.428 581 H GLU 6 H GLU 6 7.012 -16.037 -10.842 582 HA GLU 6 HA GLU 6 7.750 -14.111 -8.986 583 HE2 GLU 6 HE2 GLU 6 10.857 -11.026 -12.456 584 HB2 GLU 6 1HB GLU 6 8.685 -14.902 -11.416 585 HB3 GLU 6 2HB GLU 6 8.025 -13.307 -11.809 586 HG2 GLU 6 1HG GLU 6 9.530 -13.115 -9.386 587 HG3 GLU 6 2HG GLU 6 10.503 -13.924 -10.623 588 H GLU 7 H GLU 7 5.120 -14.130 -11.246 589 HA GLU 7 HA GLU 7 4.574 -11.430 -11.531 590 HE2 GLU 7 HE2 GLU 7 -0.123 -15.926 -11.967 591 HB2 GLU 7 1HB GLU 7 2.378 -12.032 -12.158 592 HB3 GLU 7 2HB GLU 7 3.406 -13.389 -12.645 593 HG2 GLU 7 1HG GLU 7 2.764 -14.497 -10.457 594 HG3 GLU 7 2HG GLU 7 1.532 -13.235 -10.306 595 H ALA 8 H ALA 8 3.980 -13.556 -8.818 596 HA ALA 8 HA ALA 8 2.266 -11.749 -7.409 597 HB1 ALA 8 3HB ALA 8 2.007 -13.418 -5.922 598 HB2 ALA 8 1HB ALA 8 2.768 -14.393 -7.180 599 HB3 ALA 8 2HB ALA 8 3.735 -13.762 -5.845 600 H ALA 9 H ALA 9 5.696 -12.215 -7.668 601 HA ALA 9 HA ALA 9 6.408 -10.822 -5.278 602 HB1 ALA 9 3HB ALA 9 8.676 -10.683 -6.551 603 HB2 ALA 9 1HB ALA 9 8.083 -12.241 -5.976 604 HB3 ALA 9 2HB ALA 9 7.898 -11.800 -7.674 605 H LYS 10 H LYS 10 6.038 -9.931 -8.672 606 HA LYS 10 HA LYS 10 7.102 -7.331 -8.496 607 HB2 LYS 10 1HB LYS 10 4.876 -8.172 -10.356 608 HB3 LYS 10 2HB LYS 10 6.111 -6.931 -10.624 609 HG2 LYS 10 1HG LYS 10 7.710 -9.061 -10.302 610 HG3 LYS 10 2HG LYS 10 6.267 -9.859 -10.951 611 HD2 LYS 10 1HD LYS 10 7.500 -9.333 -12.865 612 HD3 LYS 10 2HD LYS 10 6.309 -8.025 -12.756 613 HE2 LYS 10 1HE LYS 10 8.346 -6.995 -11.265 614 HE3 LYS 10 2HE LYS 10 9.233 -7.947 -12.466 615 HZ1 LYS 10 3HZ LYS 10 7.079 -6.186 -13.395 616 HZ2 LYS 10 1HZ LYS 10 8.505 -6.650 -14.179 617 HZ3 LYS 10 2HZ LYS 10 8.555 -5.489 -12.950 618 H LEU 11 H LEU 11 3.982 -8.649 -7.675 619 HA LEU 11 HA LEU 11 2.373 -6.410 -7.669 620 HG LEU 11 HG LEU 11 2.035 -9.631 -7.801 621 HB2 LEU 11 1HB LEU 11 2.429 -8.651 -5.640 622 HB3 LEU 11 2HB LEU 11 1.096 -7.508 -5.877 623 HD11 LEU 11 1HD1 LEU 11 -0.429 -10.288 -7.488 624 HD12 LEU 11 2HD1 LEU 11 -0.365 -9.281 -6.043 625 HD13 LEU 11 3HD1 LEU 11 0.709 -10.671 -6.196 626 HD21 LEU 11 3HD2 LEU 11 0.254 -8.884 -9.275 627 HD22 LEU 11 1HD2 LEU 11 1.414 -7.585 -9.001 628 HD23 LEU 11 2HD2 LEU 11 -0.138 -7.570 -8.164 629 H PHE 12 H PHE 12 4.618 -7.505 -5.155 630 HA PHE 12 HA PHE 12 4.012 -5.349 -3.377 631 HD1 PHE 12 HD2 PHE 12 3.093 -6.407 -1.869 632 HD2 PHE 12 HD1 PHE 12 6.063 -9.378 -2.557 633 HE1 PHE 12 HE2 PHE 12 1.633 -8.100 -0.841 634 HE2 PHE 12 HE1 PHE 12 4.606 -11.075 -1.530 635 HZ PHE 12 HZ PHE 12 2.390 -10.437 -0.670 636 HB2 PHE 12 1HB PHE 12 6.370 -7.250 -3.442 637 HB3 PHE 12 2HB PHE 12 5.995 -6.148 -2.116 638 H GLU 13 H GLU 13 6.300 -5.881 -5.955 639 HA GLU 13 HA GLU 13 8.176 -3.898 -5.381 640 HE2 GLU 13 HE2 GLU 13 10.737 -2.339 -9.456 641 HB2 GLU 13 1HB GLU 13 7.725 -5.702 -7.443 642 HB3 GLU 13 2HB GLU 13 7.593 -4.120 -8.226 643 HG2 GLU 13 1HG GLU 13 9.855 -3.965 -6.570 644 HG3 GLU 13 2HG GLU 13 9.934 -5.536 -7.379 645 H GLU 14 H GLU 14 5.097 -3.702 -7.115 646 HA GLU 14 HA GLU 14 5.399 -0.931 -7.767 647 HE2 GLU 14 HE2 GLU 14 3.048 -1.851 -12.427 648 HB2 GLU 14 1HB GLU 14 2.867 -2.589 -7.721 649 HB3 GLU 14 2HB GLU 14 3.119 -1.059 -8.576 650 HG2 GLU 14 1HG GLU 14 5.070 -2.416 -9.730 651 HG3 GLU 14 2HG GLU 14 4.059 -3.791 -9.260 652 H TRP 15 H TRP 15 4.043 -2.741 -5.117 653 HA TRP 15 HA TRP 15 2.402 -0.766 -3.992 654 HD1 TRP 15 HD1 TRP 15 0.909 -2.184 -4.756 655 HE1 TRP 15 HE1 TRP 15 -1.343 -3.179 -4.005 656 HE3 TRP 15 HE3 TRP 15 2.269 -3.867 -0.125 657 HZ2 TRP 15 HZ2 TRP 15 -2.402 -4.502 -1.748 658 HZ3 TRP 15 HZ3 TRP 15 0.577 -4.987 1.267 659 HH2 TRP 15 HH2 TRP 15 -1.710 -5.296 0.471 660 HB2 TRP 15 1HB TRP 15 3.648 -3.289 -3.097 661 HB3 TRP 15 2HB TRP 15 3.292 -2.141 -1.807 662 H LYS 16 H LYS 16 5.823 -1.529 -3.426 663 HA LYS 16 HA LYS 16 6.165 0.612 -1.544 664 HB2 LYS 16 1HB LYS 16 8.598 0.047 -1.754 665 HB3 LYS 16 2HB LYS 16 7.564 -1.315 -1.290 666 HG2 LYS 16 1HG LYS 16 7.720 -2.316 -3.408 667 HG3 LYS 16 2HG LYS 16 8.358 -0.835 -4.142 668 HD2 LYS 16 1HD LYS 16 9.877 -2.169 -1.928 669 HD3 LYS 16 2HD LYS 16 9.971 -2.807 -3.578 670 HE2 LYS 16 1HE LYS 16 10.347 -0.147 -4.035 671 HE3 LYS 16 2HE LYS 16 11.091 -0.337 -2.441 672 HZ1 LYS 16 3HZ LYS 16 12.823 -0.797 -3.864 673 HZ2 LYS 16 1HZ LYS 16 11.847 -1.595 -4.993 674 HZ3 LYS 16 2HZ LYS 16 12.246 -2.352 -3.535 675 H LYS 17 H LYS 17 6.408 0.243 -4.973 676 HA LYS 17 HA LYS 17 8.088 2.492 -5.470 677 HB2 LYS 17 1HB LYS 17 6.410 0.648 -7.090 678 HB3 LYS 17 2HB LYS 17 6.786 2.226 -7.801 679 HG2 LYS 17 1HG LYS 17 8.914 0.406 -6.692 680 HG3 LYS 17 2HG LYS 17 8.351 0.322 -8.370 681 HD2 LYS 17 1HD LYS 17 8.813 2.955 -8.234 682 HD3 LYS 17 2HD LYS 17 9.971 2.401 -7.013 683 HE2 LYS 17 1HE LYS 17 10.859 0.767 -8.704 684 HE3 LYS 17 2HE LYS 17 9.815 1.549 -9.900 685 HZ1 LYS 17 3HZ LYS 17 11.750 2.691 -10.207 686 HZ2 LYS 17 1HZ LYS 17 12.223 2.582 -8.586 687 HZ3 LYS 17 2HZ LYS 17 11.025 3.684 -9.046 688 H LEU 18 H LEU 18 4.573 1.992 -5.781 689 HA LEU 18 HA LEU 18 3.875 4.564 -6.554 690 HG LEU 18 HG LEU 18 2.940 1.932 -7.265 691 HB2 LEU 18 1HB LEU 18 2.337 2.610 -4.835 692 HB3 LEU 18 2HB LEU 18 1.649 4.058 -5.590 693 HD11 LEU 18 1HD1 LEU 18 0.790 0.848 -7.521 694 HD12 LEU 18 2HD1 LEU 18 0.062 1.964 -6.366 695 HD13 LEU 18 3HD1 LEU 18 1.289 0.815 -5.829 696 HD21 LEU 18 3HD2 LEU 18 1.221 4.302 -7.665 697 HD22 LEU 18 1HD2 LEU 18 0.877 2.898 -8.676 698 HD23 LEU 18 2HD2 LEU 18 2.484 3.625 -8.694 699 H ALA 19 H ALA 19 4.630 3.294 -3.382 700 HA ALA 19 HA ALA 19 3.616 5.406 -1.824 701 HB1 ALA 19 3HB ALA 19 4.575 4.359 -0.053 702 HB2 ALA 19 1HB ALA 19 4.655 3.033 -1.213 703 HB3 ALA 19 2HB ALA 19 6.078 4.031 -0.916 704 H GLU 20 H GLU 20 6.384 5.184 -3.855 705 HA GLU 20 HA GLU 20 7.935 7.228 -2.605 706 HE2 GLU 20 HE2 GLU 20 11.410 5.801 -1.573 707 HB2 GLU 20 1HB GLU 20 8.530 5.333 -4.405 708 HB3 GLU 20 2HB GLU 20 8.260 6.693 -5.507 709 HG2 GLU 20 1HG GLU 20 10.468 7.007 -5.157 710 HG3 GLU 20 2HG GLU 20 9.854 7.913 -3.767 711 H GLU 21 H GLU 21 5.847 7.152 -5.485 712 HA GLU 21 HA GLU 21 6.111 9.944 -6.001 713 HE2 GLU 21 HE2 GLU 21 6.821 10.375 -10.014 714 HB2 GLU 21 1HB GLU 21 3.934 8.071 -6.957 715 HB3 GLU 21 2HB GLU 21 4.402 9.618 -7.680 716 HG2 GLU 21 1HG GLU 21 6.678 7.858 -7.502 717 HG3 GLU 21 2HG GLU 21 5.336 7.079 -8.353 718 H ALA 22 H ALA 22 3.513 7.952 -4.608 719 HA ALA 22 HA ALA 22 1.670 9.976 -4.118 720 HB1 ALA 22 3HB ALA 22 1.106 7.621 -3.927 721 HB2 ALA 22 1HB ALA 22 2.156 7.465 -2.518 722 HB3 ALA 22 2HB ALA 22 0.709 8.471 -2.434 723 H ALA 23 H ALA 23 4.545 9.061 -2.357 724 HA ALA 23 HA ALA 23 3.953 10.495 0.029 725 HB1 ALA 23 3HB ALA 23 5.553 8.911 0.425 726 HB2 ALA 23 1HB ALA 23 6.363 9.183 -1.118 727 HB3 ALA 23 2HB ALA 23 6.577 10.330 0.205 728 H LYS 24 H LYS 24 6.144 11.201 -2.696 729 HA LYS 24 HA LYS 24 6.856 13.783 -1.835 730 HB2 LYS 24 1HB LYS 24 7.588 14.138 -4.186 731 HB3 LYS 24 2HB LYS 24 8.196 12.634 -3.477 732 HG2 LYS 24 1HG LYS 24 6.468 11.360 -4.648 733 HG3 LYS 24 2HG LYS 24 5.851 12.864 -5.353 734 HD2 LYS 24 1HD LYS 24 7.201 11.966 -7.042 735 HD3 LYS 24 2HD LYS 24 8.224 13.191 -6.272 736 HE2 LYS 24 1HE LYS 24 9.774 11.636 -5.893 737 HE3 LYS 24 2HE LYS 24 8.625 10.795 -4.844 738 HZ1 LYS 24 3HZ LYS 24 8.138 9.281 -6.427 739 HZ2 LYS 24 1HZ LYS 24 9.678 9.687 -6.999 740 HZ3 LYS 24 2HZ LYS 24 8.304 10.375 -7.708 741 H LEU 25 H LEU 25 4.181 12.600 -3.778 742 HA LEU 25 HA LEU 25 3.290 15.207 -4.574 743 HG LEU 25 HG LEU 25 3.430 13.633 -6.823 744 HB2 LEU 25 1HB LEU 25 2.443 12.417 -4.953 745 HB3 LEU 25 2HB LEU 25 1.117 13.591 -4.885 746 HD11 LEU 25 1HD1 LEU 25 1.816 11.866 -7.284 747 HD12 LEU 25 2HD1 LEU 25 1.728 13.141 -8.499 748 HD13 LEU 25 3HD1 LEU 25 0.503 13.043 -7.235 749 HD21 LEU 25 3HD2 LEU 25 1.907 15.772 -5.903 750 HD22 LEU 25 1HD2 LEU 25 1.178 15.331 -7.446 751 HD23 LEU 25 2HD2 LEU 25 2.895 15.724 -7.364 752 H LEU 26 H LEU 26 2.431 12.897 -2.050 753 HA LEU 26 HA LEU 26 0.101 13.996 -1.081 754 HG LEU 26 HG LEU 26 -0.032 11.543 -0.798 755 HB2 LEU 26 1HB LEU 26 2.290 12.365 0.022 756 HB3 LEU 26 2HB LEU 26 1.353 13.269 1.224 757 HD11 LEU 26 1HD1 LEU 26 1.660 10.124 0.232 758 HD12 LEU 26 2HD1 LEU 26 0.046 9.692 0.792 759 HD13 LEU 26 3HD1 LEU 26 1.119 10.625 1.834 760 HD21 LEU 26 3HD2 LEU 26 -1.176 13.231 0.762 761 HD22 LEU 26 1HD2 LEU 26 -0.799 12.086 2.049 762 HD23 LEU 26 2HD2 LEU 26 -1.820 11.589 0.699 763 H GLU 27 H GLU 27 3.430 14.867 -0.175 764 HA GLU 27 HA GLU 27 2.444 17.148 1.345 765 HE2 GLU 27 HE2 GLU 27 7.100 13.813 2.984 766 HB2 GLU 27 1HB GLU 27 5.304 16.269 0.887 767 HB3 GLU 27 2HB GLU 27 4.724 17.423 2.098 768 HG2 GLU 27 1HG GLU 27 3.660 15.732 3.362 769 HG3 GLU 27 2HG GLU 27 3.848 14.552 2.057 770 H GLY 28 H GLY 28 2.598 16.748 -1.749 771 HA2 GLY 28 1HA GLY 28 4.360 18.817 -2.648 772 HA3 GLY 28 2HA GLY 28 3.120 18.018 -3.603 773 H GLY 29 H GLY 29 3.253 20.221 -0.793 774 HA2 GLY 29 1HA GLY 29 1.989 22.072 -0.283 775 HA3 GLY 29 2HA GLY 29 2.123 22.436 -1.997 776 H GLY 30 H GLY 30 0.470 19.690 -0.496 777 HA2 GLY 30 1HA GLY 30 -1.946 20.410 -1.961 778 HA3 GLY 30 2HA GLY 30 -1.651 18.897 -1.117 779 H GLY 31 H GLY 31 -1.038 19.696 1.410 780 HA2 GLY 31 1HA GLY 31 -3.027 21.591 2.341 781 HA3 GLY 31 2HA GLY 31 -3.358 19.914 2.750 782 H GLY 32 H GLY 32 -0.843 18.957 3.318 783 HA2 GLY 32 1HA GLY 32 0.647 20.651 5.045 784 HA3 GLY 32 2HA GLY 32 -0.479 19.672 5.974 785 H GLY 33 H GLY 33 0.211 17.744 6.631 786 HA2 GLY 33 1HA GLY 33 1.374 15.752 6.677 787 HA3 GLY 33 2HA GLY 33 1.881 16.067 5.025 788 H GLY 34 H GLY 34 2.964 15.673 8.114 789 HA2 GLY 34 1HA GLY 34 5.636 16.099 7.579 790 HA3 GLY 34 2HA GLY 34 5.043 17.624 8.217 791 H GLY 35 H GLY 35 5.536 14.215 8.927 792 HA2 GLY 35 1HA GLY 35 6.606 14.168 11.306 793 HA3 GLY 35 2HA GLY 35 5.003 14.718 11.768 794 H GLU 36 H GLU 36 4.057 13.059 12.768 795 HA GLU 36 HA GLU 36 4.581 10.335 12.131 796 HE2 GLU 36 HE2 GLU 36 2.351 7.726 16.499 797 HB2 GLU 36 1HB GLU 36 3.970 10.873 14.377 798 HB3 GLU 36 2HB GLU 36 2.475 11.656 13.842 799 HG2 GLU 36 1HG GLU 36 1.343 9.753 13.921 800 HG3 GLU 36 2HG GLU 36 2.565 8.926 12.942 801 H LEU 37 H LEU 37 2.078 12.629 11.247 802 HA LEU 37 HA LEU 37 0.131 10.959 10.231 803 HG LEU 37 HG LEU 37 0.076 12.856 7.370 804 HB2 LEU 37 1HB LEU 37 -0.372 13.245 10.335 805 HB3 LEU 37 2HB LEU 37 1.075 13.683 9.412 806 HD11 LEU 37 1HD1 LEU 37 -2.566 12.382 7.853 807 HD12 LEU 37 2HD1 LEU 37 -1.795 11.615 9.241 808 HD13 LEU 37 3HD1 LEU 37 -1.338 11.140 7.605 809 HD21 LEU 37 3HD2 LEU 37 -1.978 14.376 7.335 810 HD22 LEU 37 1HD2 LEU 37 -0.426 15.114 7.731 811 HD23 LEU 37 2HD2 LEU 37 -1.579 14.746 9.014 812 H MET 38 H MET 38 2.848 12.393 8.416 813 HA MET 38 HA MET 38 2.331 10.894 6.059 814 HB2 MET 38 1HB MET 38 3.539 13.041 6.047 815 HB3 MET 38 2HB MET 38 4.873 12.282 6.929 816 HG2 MET 38 1HG MET 38 4.428 10.664 4.674 817 HG3 MET 38 2HG MET 38 4.354 12.335 4.112 818 HE1 MET 38 3HE MET 38 7.971 10.498 6.310 819 HE2 MET 38 1HE MET 38 6.468 10.900 7.141 820 HE3 MET 38 2HE MET 38 6.488 9.624 5.924 821 H LYS 39 H LYS 39 4.110 10.275 8.967 822 HA LYS 39 HA LYS 39 5.921 8.344 8.132 823 HB2 LYS 39 1HB LYS 39 5.530 9.430 10.466 824 HB3 LYS 39 2HB LYS 39 4.437 8.059 10.725 825 HG2 LYS 39 1HG LYS 39 6.622 6.755 9.818 826 HG3 LYS 39 2HG LYS 39 7.375 8.142 10.624 827 HD2 LYS 39 1HD LYS 39 5.672 7.531 12.551 828 HD3 LYS 39 2HD LYS 39 5.735 5.937 11.777 829 HE2 LYS 39 1HE LYS 39 7.436 5.769 13.341 830 HE3 LYS 39 2HE LYS 39 8.310 6.266 11.884 831 HZ1 LYS 39 3HZ LYS 39 8.937 8.154 12.843 832 HZ2 LYS 39 1HZ LYS 39 8.387 7.513 14.309 833 HZ3 LYS 39 2HZ LYS 39 7.376 8.507 13.389 834 H LEU 40 H LEU 40 2.473 8.143 8.564 835 HA LEU 40 HA LEU 40 2.306 5.297 8.607 836 HG LEU 40 HG LEU 40 1.024 6.563 10.544 837 HB2 LEU 40 1HB LEU 40 0.368 7.547 8.244 838 HB3 LEU 40 2HB LEU 40 -0.131 5.891 7.857 839 HD11 LEU 40 1HD1 LEU 40 -1.126 7.917 9.660 840 HD12 LEU 40 2HD1 LEU 40 -0.891 7.441 11.341 841 HD13 LEU 40 3HD1 LEU 40 -1.909 6.464 10.282 842 HD21 LEU 40 3HD2 LEU 40 0.837 4.215 9.971 843 HD22 LEU 40 1HD2 LEU 40 -0.861 4.430 9.543 844 HD23 LEU 40 2HD2 LEU 40 -0.342 4.630 11.216 845 H CYS 41 H CYS 41 2.524 7.697 6.112 846 HA CYS 41 HA CYS 41 1.560 6.034 3.992 847 HG CYS 41 HG CYS 41 1.269 9.244 5.484 848 HB2 CYS 41 1HB CYS 41 3.346 8.446 3.711 849 HB3 CYS 41 2HB CYS 41 2.199 7.801 2.523 850 H GLU 42 H GLU 42 4.761 6.975 5.182 851 HA GLU 42 HA GLU 42 6.328 5.788 3.219 852 HE2 GLU 42 HE2 GLU 42 10.544 8.517 4.101 853 HB2 GLU 42 1HB GLU 42 6.998 7.277 5.228 854 HB3 GLU 42 2HB GLU 42 7.121 5.751 6.117 855 HG2 GLU 42 1HG GLU 42 9.013 5.116 5.073 856 HG3 GLU 42 2HG GLU 42 8.520 5.828 3.530 857 H GLU 43 H GLU 43 4.486 4.348 5.768 858 HA GLU 43 HA GLU 43 5.775 1.921 6.133 859 HE2 GLU 43 HE2 GLU 43 4.157 0.224 10.295 860 HB2 GLU 43 1HB GLU 43 2.854 2.674 6.196 861 HB3 GLU 43 2HB GLU 43 3.411 1.036 6.576 862 HG2 GLU 43 1HG GLU 43 4.703 3.301 8.002 863 HG3 GLU 43 2HG GLU 43 3.045 2.870 8.445 864 H ALA 44 H ALA 44 3.723 2.998 3.507 865 HA ALA 44 HA ALA 44 3.060 0.620 2.280 866 HB1 ALA 44 3HB ALA 44 3.443 2.124 0.112 867 HB2 ALA 44 1HB ALA 44 2.075 2.354 1.202 868 HB3 ALA 44 2HB ALA 44 3.495 3.393 1.336 869 H ALA 45 H ALA 45 6.080 2.454 2.025 870 HA ALA 45 HA ALA 45 7.256 0.659 0.127 871 HB1 ALA 45 3HB ALA 45 8.521 2.463 -0.150 872 HB2 ALA 45 1HB ALA 45 7.935 3.173 1.355 873 HB3 ALA 45 2HB ALA 45 9.315 2.073 1.375 874 H LYS 46 H LYS 46 6.974 0.761 3.561 875 HA LYS 46 HA LYS 46 9.222 -0.942 4.111 876 HB2 LYS 46 1HB LYS 46 7.286 0.577 5.621 877 HB3 LYS 46 2HB LYS 46 7.426 -1.064 6.272 878 HG2 LYS 46 1HG LYS 46 10.036 0.038 5.711 879 HG3 LYS 46 2HG LYS 46 9.103 1.100 6.779 880 HD2 LYS 46 1HD LYS 46 8.541 -1.159 8.017 881 HD3 LYS 46 2HD LYS 46 10.032 -1.699 7.225 882 HE2 LYS 46 1HE LYS 46 11.255 -0.673 8.778 883 HE3 LYS 46 2HE LYS 46 10.510 0.872 8.338 884 HZ1 LYS 46 3HZ LYS 46 8.863 0.623 9.953 885 HZ2 LYS 46 1HZ LYS 46 10.274 0.107 10.729 886 HZ3 LYS 46 2HZ LYS 46 9.160 -1.029 10.155 887 H LYS 47 H LYS 47 5.690 -1.369 4.101 888 HA LYS 47 HA LYS 47 5.605 -4.062 4.786 889 HB2 LYS 47 1HB LYS 47 3.807 -2.209 3.292 890 HB3 LYS 47 2HB LYS 47 3.468 -3.944 3.202 891 HG2 LYS 47 1HG LYS 47 2.152 -3.239 4.976 892 HG3 LYS 47 2HG LYS 47 3.596 -3.895 5.768 893 HD2 LYS 47 1HD LYS 47 4.474 -1.441 5.627 894 HD3 LYS 47 2HD LYS 47 2.758 -1.043 5.427 895 HE2 LYS 47 1HE LYS 47 3.216 -0.873 7.753 896 HE3 LYS 47 2HE LYS 47 2.312 -2.376 7.517 897 HZ1 LYS 47 3HZ LYS 47 4.399 -2.400 8.992 898 HZ2 LYS 47 1HZ LYS 47 5.259 -2.411 7.536 899 HZ3 LYS 47 2HZ LYS 47 4.178 -3.662 7.888 900 H ALA 48 H ALA 48 5.366 -2.728 1.482 901 HA ALA 48 HA ALA 48 5.552 -5.130 0.108 902 HB1 ALA 48 3HB ALA 48 6.878 -3.184 -1.448 903 HB2 ALA 48 1HB ALA 48 5.203 -3.725 -1.570 904 HB3 ALA 48 2HB ALA 48 5.615 -2.354 -0.539 905 H GLU 49 H GLU 49 8.086 -3.113 1.463 906 HA GLU 49 HA GLU 49 10.270 -4.367 0.172 907 HE2 GLU 49 HE2 GLU 49 14.383 -1.172 2.614 908 HB2 GLU 49 1HB GLU 49 10.586 -2.203 1.146 909 HB3 GLU 49 2HB GLU 49 10.080 -2.790 2.738 910 HG2 GLU 49 1HG GLU 49 12.098 -3.657 3.227 911 HG3 GLU 49 2HG GLU 49 12.383 -4.185 1.562 912 H GLU 50 H GLU 50 8.678 -4.920 3.288 913 HA GLU 50 HA GLU 50 10.466 -6.993 4.096 914 HE2 GLU 50 HE2 GLU 50 12.648 -7.009 7.040 915 HB2 GLU 50 1HB GLU 50 7.930 -5.814 5.104 916 HB3 GLU 50 2HB GLU 50 8.316 -7.459 5.632 917 HG2 GLU 50 1HG GLU 50 10.044 -5.010 5.992 918 HG3 GLU 50 2HG GLU 50 9.112 -5.845 7.243 919 H LEU 51 H LEU 51 7.371 -6.884 2.435 920 HA LEU 51 HA LEU 51 6.913 -9.701 2.520 921 HG LEU 51 HG LEU 51 4.933 -8.317 3.396 922 HB2 LEU 51 1HB LEU 51 5.712 -7.376 1.073 923 HB3 LEU 51 2HB LEU 51 5.349 -9.020 0.523 924 HD11 LEU 51 1HD1 LEU 51 3.591 -6.629 2.766 925 HD12 LEU 51 2HD1 LEU 51 2.469 -7.927 2.361 926 HD13 LEU 51 3HD1 LEU 51 3.471 -7.205 1.103 927 HD21 LEU 51 3HD2 LEU 51 3.786 -10.269 1.425 928 HD22 LEU 51 1HD2 LEU 51 2.992 -9.918 2.960 929 HD23 LEU 51 2HD2 LEU 51 4.622 -10.595 2.945 930 H PHE 52 H PHE 52 8.588 -7.528 0.365 931 HA PHE 52 HA PHE 52 8.740 -9.096 -1.931 932 HD1 PHE 52 HD1 PHE 52 9.720 -7.929 -4.246 933 HD2 PHE 52 HD2 PHE 52 12.858 -7.820 -1.372 934 HE1 PHE 52 HE1 PHE 52 11.356 -8.416 -6.018 935 HE2 PHE 52 HE2 PHE 52 14.498 -8.306 -3.140 936 HZ PHE 52 HZ PHE 52 13.748 -8.604 -5.467 937 HB2 PHE 52 1HB PHE 52 9.468 -6.806 -1.984 938 HB3 PHE 52 2HB PHE 52 10.709 -7.121 -0.770 939 H LYS 53 H LYS 53 10.288 -9.464 1.129 940 HA LYS 53 HA LYS 53 12.503 -11.027 0.328 941 HB2 LYS 53 1HB LYS 53 12.471 -9.993 2.506 942 HB3 LYS 53 2HB LYS 53 11.010 -10.888 2.950 943 HG2 LYS 53 1HG LYS 53 13.435 -12.437 2.173 944 HG3 LYS 53 2HG LYS 53 13.391 -11.654 3.763 945 HD2 LYS 53 1HD LYS 53 10.888 -12.876 3.492 946 HD3 LYS 53 2HD LYS 53 12.056 -14.050 2.861 947 HE2 LYS 53 1HE LYS 53 11.830 -14.483 5.196 948 HE3 LYS 53 2HE LYS 53 13.400 -13.703 4.953 949 HZ1 LYS 53 3HZ LYS 53 11.317 -12.883 6.617 950 HZ2 LYS 53 1HZ LYS 53 11.473 -11.714 5.405 951 HZ3 LYS 53 2HZ LYS 53 12.805 -12.122 6.361 952 H LEU 54 H LEU 54 9.273 -11.920 1.515 953 HA LEU 54 HA LEU 54 9.698 -14.719 1.302 954 HG LEU 54 HG LEU 54 6.760 -14.764 3.443 955 HB2 LEU 54 1HB LEU 54 7.527 -12.913 2.006 956 HB3 LEU 54 2HB LEU 54 6.966 -14.319 1.086 957 HD11 LEU 54 1HD1 LEU 54 7.416 -16.884 3.213 958 HD12 LEU 54 2HD1 LEU 54 9.110 -16.432 3.024 959 HD13 LEU 54 3HD1 LEU 54 8.028 -16.396 1.632 960 HD21 LEU 54 3HD2 LEU 54 9.646 -14.762 4.000 961 HD22 LEU 54 1HD2 LEU 54 8.289 -14.263 5.012 962 HD23 LEU 54 2HD2 LEU 54 8.923 -13.168 3.782 963 H ALA 55 H ALA 55 8.770 -12.257 -0.944 964 HA ALA 55 HA ALA 55 7.398 -13.712 -2.871 965 HB1 ALA 55 3HB ALA 55 7.365 -11.680 -3.756 966 HB2 ALA 55 1HB ALA 55 8.676 -11.158 -2.699 967 HB3 ALA 55 2HB ALA 55 9.041 -11.900 -4.256 968 H GLU 56 H GLU 56 10.772 -13.722 -2.051 969 HA GLU 56 HA GLU 56 11.666 -14.942 -4.489 970 HE2 GLU 56 HE2 GLU 56 11.549 -11.455 -4.967 971 HB2 GLU 56 1HB GLU 56 13.169 -15.088 -1.891 972 HB3 GLU 56 2HB GLU 56 13.800 -14.959 -3.540 973 HG2 GLU 56 1HG GLU 56 12.465 -12.790 -1.925 974 HG3 GLU 56 2HG GLU 56 14.164 -12.885 -2.409 975 H GLU 57 H GLU 57 10.520 -16.057 -1.386 976 HA GLU 57 HA GLU 57 11.462 -18.695 -1.461 977 HE2 GLU 57 HE2 GLU 57 9.441 -20.661 3.306 978 HB2 GLU 57 1HB GLU 57 10.560 -17.813 0.577 979 HB3 GLU 57 2HB GLU 57 8.996 -17.504 -0.191 980 HG2 GLU 57 1HG GLU 57 8.265 -19.538 0.289 981 HG3 GLU 57 2HG GLU 57 9.697 -20.277 -0.443 982 H ARG 58 H ARG 58 8.454 -17.275 -2.693 983 HA ARG 58 HA ARG 58 7.509 -19.788 -3.727 984 HE ARG 58 HE ARG 58 7.059 -17.389 0.025 985 HB2 ARG 58 1HB ARG 58 6.538 -16.949 -4.126 986 HB3 ARG 58 2HB ARG 58 5.712 -18.386 -4.745 987 HG2 ARG 58 1HG ARG 58 4.527 -18.168 -2.838 988 HG3 ARG 58 2HG ARG 58 5.890 -19.083 -2.172 989 HD2 ARG 58 1HD ARG 58 6.798 -16.483 -2.049 990 HD3 ARG 58 2HD ARG 58 5.074 -16.322 -1.689 991 HH11 ARG 58 1HH1 ARG 58 3.738 -17.808 -0.930 992 HH12 ARG 58 2HH1 ARG 58 3.254 -18.499 0.582 993 HH21 ARG 58 1HH2 ARG 58 6.435 -18.299 2.021 994 HH22 ARG 58 2HH2 ARG 58 4.788 -18.777 2.262 995 H LEU 59 H LEU 59 9.413 -17.140 -4.884 996 HA LEU 59 HA LEU 59 9.084 -17.824 -7.676 997 HG LEU 59 HG LEU 59 10.787 -14.695 -8.601 998 HB2 LEU 59 1HB LEU 59 9.418 -15.486 -6.887 999 HB3 LEU 59 2HB LEU 59 11.056 -15.943 -6.388 1000 HD11 LEU 59 1HD1 LEU 59 12.223 -17.245 -9.084 1001 HD12 LEU 59 2HD1 LEU 59 12.717 -16.268 -7.702 1002 HD13 LEU 59 3HD1 LEU 59 12.753 -15.581 -9.326 1003 HD21 LEU 59 3HD2 LEU 59 10.143 -15.916 -10.525 1004 HD22 LEU 59 1HD2 LEU 59 8.863 -16.152 -9.333 1005 HD23 LEU 59 2HD2 LEU 59 10.047 -17.429 -9.620 1006 H LYS 60 H LYS 60 12.079 -17.403 -5.802 1007 HA LYS 60 HA LYS 60 13.214 -19.689 -7.257 1008 HB2 LYS 60 1HB LYS 60 15.416 -18.776 -6.514 1009 HB3 LYS 60 2HB LYS 60 14.493 -17.677 -7.551 1010 HG2 LYS 60 1HG LYS 60 13.782 -17.103 -4.866 1011 HG3 LYS 60 2HG LYS 60 15.549 -17.207 -4.957 1012 HD2 LYS 60 1HD LYS 60 14.997 -15.773 -7.208 1013 HD3 LYS 60 2HD LYS 60 13.716 -15.223 -6.113 1014 HE2 LYS 60 1HE LYS 60 15.391 -13.729 -5.592 1015 HE3 LYS 60 2HE LYS 60 15.680 -15.001 -4.397 1016 HZ1 LYS 60 3HZ LYS 60 17.568 -15.685 -5.433 1017 HZ2 LYS 60 1HZ LYS 60 17.607 -14.054 -5.882 1018 HZ3 LYS 60 2HZ LYS 60 17.049 -15.219 -6.974 1019 H LYS 61 H LYS 61 15.218 -20.531 -5.735 1020 HA LYS 61 HA LYS 61 13.849 -21.635 -3.394 1021 HB2 LYS 61 1HB LYS 61 15.012 -23.041 -5.242 1022 HB3 LYS 61 2HB LYS 61 16.510 -22.574 -4.422 1023 HG2 LYS 61 1HG LYS 61 16.005 -23.765 -2.502 1024 HG3 LYS 61 2HG LYS 61 14.271 -23.794 -2.867 1025 HD2 LYS 61 1HD LYS 61 14.553 -25.840 -3.704 1026 HD3 LYS 61 2HD LYS 61 15.475 -25.093 -5.022 1027 HE2 LYS 61 1HE LYS 61 17.529 -25.260 -3.589 1028 HE3 LYS 61 2HE LYS 61 16.562 -26.181 -2.429 1029 HZ1 LYS 61 3HZ LYS 61 16.347 -27.953 -3.882 1030 HZ2 LYS 61 1HZ LYS 61 17.940 -27.451 -4.154 1031 HZ3 LYS 61 2HZ LYS 61 16.723 -27.030 -5.250 1032 H LEU 62 H LEU 62 16.476 -19.574 -4.303 1033 HA LEU 62 HA LEU 62 17.904 -18.277 -3.100 1034 HG LEU 62 HG LEU 62 16.531 -16.394 -2.434 1035 HB2 LEU 62 1HB LEU 62 15.552 -18.543 -1.513 1036 HB3 LEU 62 2HB LEU 62 16.962 -18.609 -0.441 1037 HD11 LEU 62 1HD1 LEU 62 14.643 -16.486 -0.860 1038 HD12 LEU 62 2HD1 LEU 62 15.646 -15.056 -0.623 1039 HD13 LEU 62 3HD1 LEU 62 15.781 -16.421 0.486 1040 HD21 LEU 62 3HD2 LEU 62 18.819 -16.703 -1.632 1041 HD22 LEU 62 1HD2 LEU 62 18.249 -16.613 0.036 1042 HD23 LEU 62 2HD2 LEU 62 18.120 -15.204 -1.017 1043 HC1 HLT 101 HC1 HLT 101 -1.136 2.021 -1.516 Start of MODEL 16 1 HA MET 1 HA MET 1 -15.993 23.131 3.697 2 H1 MET 1 1H MET 1 -18.133 22.403 3.034 3 HB2 MET 1 1HB MET 1 -16.232 20.404 4.983 4 HB3 MET 1 2HB MET 1 -15.397 21.825 5.629 5 HG2 MET 1 1HG MET 1 -17.239 22.399 6.713 6 HG3 MET 1 2HG MET 1 -18.046 22.622 5.159 7 HE1 MET 1 3HE MET 1 -20.111 22.335 6.459 8 HE2 MET 1 1HE MET 1 -20.878 20.780 6.784 9 HE3 MET 1 2HE MET 1 -19.777 21.486 7.968 10 H LYS 2 H LYS 2 -15.069 22.810 1.461 11 HA LYS 2 HA LYS 2 -12.569 21.525 1.652 12 HB2 LYS 2 1HB LYS 2 -12.829 19.782 -0.046 13 HB3 LYS 2 2HB LYS 2 -13.883 19.482 1.346 14 HG2 LYS 2 1HG LYS 2 -15.770 20.490 0.066 15 HG3 LYS 2 2HG LYS 2 -14.694 20.571 -1.340 16 HD2 LYS 2 1HD LYS 2 -14.365 18.123 -1.211 17 HD3 LYS 2 2HD LYS 2 -15.511 18.070 0.140 18 HE2 LYS 2 1HE LYS 2 -16.750 19.511 -1.978 19 HE3 LYS 2 2HE LYS 2 -16.048 18.036 -2.658 20 HZ1 LYS 2 3HZ LYS 2 -18.243 17.541 -1.944 21 HZ2 LYS 2 1HZ LYS 2 -17.983 18.224 -0.417 22 HZ3 LYS 2 2HZ LYS 2 -17.191 16.794 -0.850 23 H LYS 3 H LYS 3 -11.311 21.697 -0.370 24 HA LYS 3 HA LYS 3 -12.436 23.585 -2.310 25 HB2 LYS 3 1HB LYS 3 -10.067 23.987 -0.540 26 HB3 LYS 3 2HB LYS 3 -9.984 24.606 -2.197 27 HG2 LYS 3 1HG LYS 3 -11.493 26.249 -1.824 28 HG3 LYS 3 2HG LYS 3 -12.423 25.273 -0.673 29 HD2 LYS 3 1HD LYS 3 -11.514 26.599 0.896 30 HD3 LYS 3 2HD LYS 3 -10.065 25.605 0.663 31 HE2 LYS 3 1HE LYS 3 -9.994 27.532 -1.384 32 HE3 LYS 3 2HE LYS 3 -10.476 28.395 0.085 33 HZ1 LYS 3 3HZ LYS 3 -8.313 28.434 0.551 34 HZ2 LYS 3 1HZ LYS 3 -7.936 27.258 -0.605 35 HZ3 LYS 3 2HZ LYS 3 -8.456 26.793 0.935 36 H LEU 4 H LEU 4 -9.175 22.281 -1.752 37 HA LEU 4 HA LEU 4 -9.415 20.678 -4.188 38 HG LEU 4 HG LEU 4 -6.225 23.513 -4.141 39 HB2 LEU 4 1HB LEU 4 -7.484 21.537 -5.205 40 HB3 LEU 4 2HB LEU 4 -8.411 22.952 -4.674 41 HD11 LEU 4 1HD1 LEU 4 -7.864 23.641 -2.215 42 HD12 LEU 4 2HD1 LEU 4 -6.152 23.676 -1.795 43 HD13 LEU 4 3HD1 LEU 4 -7.082 22.193 -1.582 44 HD21 LEU 4 3HD2 LEU 4 -5.543 21.031 -2.681 45 HD22 LEU 4 1HD2 LEU 4 -4.528 22.090 -3.659 46 HD23 LEU 4 2HD2 LEU 4 -5.606 20.935 -4.441 47 H ARG 5 H ARG 5 -8.791 20.703 -1.035 48 HA ARG 5 HA ARG 5 -6.353 19.240 -0.848 49 HE ARG 5 HE ARG 5 -5.648 22.651 2.542 50 HB2 ARG 5 1HB ARG 5 -8.651 19.689 1.059 51 HB3 ARG 5 2HB ARG 5 -7.245 18.699 1.481 52 HG2 ARG 5 1HG ARG 5 -5.788 20.673 1.001 53 HG3 ARG 5 2HG ARG 5 -7.265 21.631 0.809 54 HD2 ARG 5 1HD ARG 5 -7.935 21.134 3.098 55 HD3 ARG 5 2HD ARG 5 -6.517 20.096 3.295 56 HH11 ARG 5 1HH1 ARG 5 -7.154 21.030 5.230 57 HH12 ARG 5 2HH1 ARG 5 -6.509 22.116 6.416 58 HH21 ARG 5 1HH2 ARG 5 -4.792 24.088 4.093 59 HH22 ARG 5 2HH2 ARG 5 -5.166 23.856 5.768 60 H GLU 6 H GLU 6 -9.763 18.354 -1.030 61 HA GLU 6 HA GLU 6 -9.615 15.662 -0.405 62 HE2 GLU 6 HE2 GLU 6 -13.769 17.754 1.634 63 HB2 GLU 6 1HB GLU 6 -11.466 17.418 -1.812 64 HB3 GLU 6 2HB GLU 6 -11.467 15.775 -2.472 65 HG2 GLU 6 1HG GLU 6 -13.051 15.501 -0.879 66 HG3 GLU 6 2HG GLU 6 -11.617 15.140 0.093 67 H GLU 7 H GLU 7 -8.572 17.328 -3.269 68 HA GLU 7 HA GLU 7 -8.502 15.284 -5.135 69 HE2 GLU 7 HE2 GLU 7 -7.709 18.534 -9.266 70 HB2 GLU 7 1HB GLU 7 -6.691 17.651 -4.682 71 HB3 GLU 7 2HB GLU 7 -6.453 16.538 -6.038 72 HG2 GLU 7 1HG GLU 7 -9.002 17.037 -6.476 73 HG3 GLU 7 2HG GLU 7 -8.629 18.504 -5.560 74 H ALA 8 H ALA 8 -6.344 15.937 -2.452 75 HA ALA 8 HA ALA 8 -4.358 14.028 -3.247 76 HB1 ALA 8 3HB ALA 8 -3.760 14.373 -0.690 77 HB2 ALA 8 1HB ALA 8 -3.390 15.596 -1.906 78 HB3 ALA 8 2HB ALA 8 -4.819 15.769 -0.886 79 H ALA 9 H ALA 9 -7.299 13.945 -1.404 80 HA ALA 9 HA ALA 9 -6.900 11.673 0.158 81 HB1 ALA 9 3HB ALA 9 -9.580 12.036 -1.041 82 HB2 ALA 9 1HB ALA 9 -9.109 11.801 0.643 83 HB3 ALA 9 2HB ALA 9 -8.931 13.387 -0.110 84 H LYS 10 H LYS 10 -7.995 11.967 -3.196 85 HA LYS 10 HA LYS 10 -8.679 9.316 -3.676 86 HB2 LYS 10 1HB LYS 10 -7.323 11.141 -5.670 87 HB3 LYS 10 2HB LYS 10 -8.435 9.805 -6.012 88 HG2 LYS 10 1HG LYS 10 -10.197 11.115 -4.740 89 HG3 LYS 10 2HG LYS 10 -9.070 12.481 -4.809 90 HD2 LYS 10 1HD LYS 10 -9.322 12.773 -7.064 91 HD3 LYS 10 2HD LYS 10 -9.649 11.055 -7.349 92 HE2 LYS 10 1HE LYS 10 -11.683 12.422 -5.719 93 HE3 LYS 10 2HE LYS 10 -11.530 13.028 -7.374 94 HZ1 LYS 10 3HZ LYS 10 -12.609 11.261 -8.119 95 HZ2 LYS 10 1HZ LYS 10 -12.846 10.737 -6.528 96 HZ3 LYS 10 2HZ LYS 10 -11.496 10.209 -7.399 97 H LEU 11 H LEU 11 -5.532 10.866 -3.610 98 HA LEU 11 HA LEU 11 -3.959 8.975 -4.860 99 HG LEU 11 HG LEU 11 -3.982 12.165 -3.866 100 HB2 LEU 11 1HB LEU 11 -3.206 10.469 -2.345 101 HB3 LEU 11 2HB LEU 11 -2.111 9.818 -3.577 102 HD11 LEU 11 1HD1 LEU 11 -2.131 12.997 -2.791 103 HD12 LEU 11 2HD1 LEU 11 -1.654 13.180 -4.478 104 HD13 LEU 11 3HD1 LEU 11 -1.039 11.826 -3.531 105 HD21 LEU 11 3HD2 LEU 11 -2.933 10.380 -5.863 106 HD22 LEU 11 1HD2 LEU 11 -2.280 12.005 -6.077 107 HD23 LEU 11 2HD2 LEU 11 -4.025 11.754 -6.047 108 H PHE 12 H PHE 12 -5.079 9.034 -1.499 109 HA PHE 12 HA PHE 12 -3.719 6.625 -0.779 110 HD1 PHE 12 HD2 PHE 12 -2.348 7.274 0.512 111 HD2 PHE 12 HD1 PHE 12 -5.362 9.898 1.980 112 HE1 PHE 12 HE2 PHE 12 -0.610 8.739 1.452 113 HE2 PHE 12 HE1 PHE 12 -3.628 11.367 2.923 114 HZ PHE 12 HZ PHE 12 -1.247 10.787 2.660 115 HB2 PHE 12 1HB PHE 12 -5.970 8.146 0.562 116 HB3 PHE 12 2HB PHE 12 -5.155 6.751 1.274 117 H GLU 13 H GLU 13 -6.753 7.384 -2.246 118 HA GLU 13 HA GLU 13 -8.313 5.193 -1.592 119 HE2 GLU 13 HE2 GLU 13 -10.716 3.567 -5.230 120 HB2 GLU 13 1HB GLU 13 -8.542 7.330 -3.304 121 HB3 GLU 13 2HB GLU 13 -8.484 5.956 -4.418 122 HG2 GLU 13 1HG GLU 13 -10.261 5.445 -2.185 123 HG3 GLU 13 2HG GLU 13 -10.707 6.909 -3.073 124 H GLU 14 H GLU 14 -5.673 5.451 -3.890 125 HA GLU 14 HA GLU 14 -6.076 3.008 -5.230 126 HE2 GLU 14 HE2 GLU 14 -3.057 4.659 -8.973 127 HB2 GLU 14 1HB GLU 14 -3.385 4.280 -4.728 128 HB3 GLU 14 2HB GLU 14 -3.882 3.278 -6.102 129 HG2 GLU 14 1HG GLU 14 -5.623 5.217 -6.476 130 HG3 GLU 14 2HG GLU 14 -4.434 6.145 -5.552 131 H TRP 15 H TRP 15 -4.473 3.823 -2.223 132 HA TRP 15 HA TRP 15 -3.097 1.387 -1.847 133 HD1 TRP 15 HD1 TRP 15 -2.520 -0.014 -0.168 134 HE1 TRP 15 HE1 TRP 15 -0.601 -0.525 1.471 135 HE3 TRP 15 HE3 TRP 15 -1.781 4.685 1.706 136 HZ2 TRP 15 HZ2 TRP 15 1.010 0.878 3.315 137 HZ3 TRP 15 HZ3 TRP 15 -0.031 5.015 3.405 138 HH2 TRP 15 HH2 TRP 15 1.334 3.150 4.192 139 HB2 TRP 15 1HB TRP 15 -2.905 3.683 -0.597 140 HB3 TRP 15 2HB TRP 15 -4.145 2.999 0.455 141 H LYS 16 H LYS 16 -6.266 2.512 -0.695 142 HA LYS 16 HA LYS 16 -6.881 0.027 0.592 143 HB2 LYS 16 1HB LYS 16 -9.178 1.006 0.792 144 HB3 LYS 16 2HB LYS 16 -7.890 2.015 1.467 145 HG2 LYS 16 1HG LYS 16 -7.954 3.504 -0.394 146 HG3 LYS 16 2HG LYS 16 -9.035 2.419 -1.285 147 HD2 LYS 16 1HD LYS 16 -10.102 3.142 1.331 148 HD3 LYS 16 2HD LYS 16 -9.803 4.552 0.299 149 HE2 LYS 16 1HE LYS 16 -10.992 3.062 -1.532 150 HE3 LYS 16 2HE LYS 16 -11.674 2.268 -0.106 151 HZ1 LYS 16 3HZ LYS 16 -11.767 5.191 -0.209 152 HZ2 LYS 16 1HZ LYS 16 -12.867 4.099 0.469 153 HZ3 LYS 16 2HZ LYS 16 -12.832 4.334 -1.205 154 H LYS 17 H LYS 17 -7.323 1.363 -2.580 155 HA LYS 17 HA LYS 17 -9.354 -0.476 -3.412 156 HB2 LYS 17 1HB LYS 17 -8.872 1.815 -4.411 157 HB3 LYS 17 2HB LYS 17 -7.485 1.060 -5.213 158 HG2 LYS 17 1HG LYS 17 -10.017 -0.378 -5.584 159 HG3 LYS 17 2HG LYS 17 -9.982 1.256 -6.270 160 HD2 LYS 17 1HD LYS 17 -7.814 0.656 -7.390 161 HD3 LYS 17 2HD LYS 17 -8.077 -1.010 -6.844 162 HE2 LYS 17 1HE LYS 17 -8.934 -1.026 -9.014 163 HE3 LYS 17 2HE LYS 17 -10.368 -0.808 -8.001 164 HZ1 LYS 17 3HZ LYS 17 -9.856 0.723 -10.083 165 HZ2 LYS 17 1HZ LYS 17 -9.029 1.616 -8.909 166 HZ3 LYS 17 2HZ LYS 17 -10.680 1.297 -8.722 167 H LEU 18 H LEU 18 -5.917 -0.141 -4.318 168 HA LEU 18 HA LEU 18 -5.695 -2.505 -5.758 169 HG LEU 18 HG LEU 18 -4.358 -0.079 -6.536 170 HB2 LEU 18 1HB LEU 18 -3.761 -0.783 -4.262 171 HB3 LEU 18 2HB LEU 18 -3.221 -2.346 -4.899 172 HD11 LEU 18 1HD1 LEU 18 -2.304 0.757 -6.443 173 HD12 LEU 18 2HD1 LEU 18 -1.759 -0.662 -7.338 174 HD13 LEU 18 3HD1 LEU 18 -1.699 -0.654 -5.575 175 HD21 LEU 18 3HD2 LEU 18 -3.627 -2.892 -7.151 176 HD22 LEU 18 1HD2 LEU 18 -3.232 -1.652 -8.342 177 HD23 LEU 18 2HD2 LEU 18 -4.904 -1.878 -7.825 178 H ALA 19 H ALA 19 -5.814 -1.983 -2.336 179 HA ALA 19 HA ALA 19 -4.667 -4.472 -1.549 180 HB1 ALA 19 3HB ALA 19 -6.360 -3.660 0.504 181 HB2 ALA 19 1HB ALA 19 -4.634 -3.324 0.355 182 HB3 ALA 19 2HB ALA 19 -5.814 -2.162 -0.251 183 H GLU 20 H GLU 20 -7.814 -3.464 -2.590 184 HA GLU 20 HA GLU 20 -9.261 -5.665 -1.483 185 HE2 GLU 20 HE2 GLU 20 -12.961 -3.791 -0.062 186 HB2 GLU 20 1HB GLU 20 -10.042 -3.947 -3.846 187 HB3 GLU 20 2HB GLU 20 -11.116 -4.895 -2.806 188 HG2 GLU 20 1HG GLU 20 -9.671 -3.133 -1.127 189 HG3 GLU 20 2HG GLU 20 -10.265 -2.199 -2.508 190 H GLU 21 H GLU 21 -8.054 -4.909 -4.743 191 HA GLU 21 HA GLU 21 -8.875 -7.412 -5.843 192 HE2 GLU 21 HE2 GLU 21 -10.558 -6.735 -9.486 193 HB2 GLU 21 1HB GLU 21 -6.802 -5.491 -6.922 194 HB3 GLU 21 2HB GLU 21 -7.678 -6.733 -7.830 195 HG2 GLU 21 1HG GLU 21 -9.522 -4.947 -6.514 196 HG3 GLU 21 2HG GLU 21 -8.376 -4.054 -7.523 197 H ALA 22 H ALA 22 -5.703 -6.073 -4.937 198 HA ALA 22 HA ALA 22 -4.128 -8.267 -5.554 199 HB1 ALA 22 3HB ALA 22 -3.610 -6.548 -3.150 200 HB2 ALA 22 1HB ALA 22 -2.446 -7.306 -4.237 201 HB3 ALA 22 2HB ALA 22 -3.413 -5.938 -4.792 202 H ALA 23 H ALA 23 -6.227 -7.726 -2.818 203 HA ALA 23 HA ALA 23 -5.202 -9.819 -1.182 204 HB1 ALA 23 3HB ALA 23 -7.623 -8.091 -1.153 205 HB2 ALA 23 1HB ALA 23 -7.623 -9.557 -0.171 206 HB3 ALA 23 2HB ALA 23 -6.385 -8.326 0.081 207 H LYS 24 H LYS 24 -8.147 -9.581 -3.184 208 HA LYS 24 HA LYS 24 -8.931 -12.265 -2.839 209 HB2 LYS 24 1HB LYS 24 -10.366 -11.878 -4.834 210 HB3 LYS 24 2HB LYS 24 -10.528 -10.625 -3.592 211 HG2 LYS 24 1HG LYS 24 -9.077 -9.136 -4.870 212 HG3 LYS 24 2HG LYS 24 -8.888 -10.390 -6.108 213 HD2 LYS 24 1HD LYS 24 -11.666 -9.621 -5.380 214 HD3 LYS 24 2HD LYS 24 -10.707 -8.442 -6.294 215 HE2 LYS 24 1HE LYS 24 -10.905 -11.322 -7.160 216 HE3 LYS 24 2HE LYS 24 -12.122 -10.122 -7.617 217 HZ1 LYS 24 3HZ LYS 24 -10.491 -10.275 -9.340 218 HZ2 LYS 24 1HZ LYS 24 -9.224 -10.023 -8.248 219 HZ3 LYS 24 2HZ LYS 24 -10.313 -8.773 -8.581 220 H LEU 25 H LEU 25 -6.790 -10.698 -5.130 221 HA LEU 25 HA LEU 25 -6.556 -12.978 -6.853 222 HG LEU 25 HG LEU 25 -7.056 -10.857 -8.498 223 HB2 LEU 25 1HB LEU 25 -5.509 -10.249 -6.722 224 HB3 LEU 25 2HB LEU 25 -4.335 -11.432 -7.327 225 HD11 LEU 25 1HD1 LEU 25 -5.302 -9.134 -8.871 226 HD12 LEU 25 2HD1 LEU 25 -5.864 -9.916 -10.349 227 HD13 LEU 25 3HD1 LEU 25 -4.313 -10.372 -9.645 228 HD21 LEU 25 3HD2 LEU 25 -6.937 -12.771 -9.614 229 HD22 LEU 25 1HD2 LEU 25 -5.552 -13.219 -8.618 230 HD23 LEU 25 2HD2 LEU 25 -5.300 -12.403 -10.161 231 H LEU 26 H LEU 26 -4.665 -11.591 -4.215 232 HA LEU 26 HA LEU 26 -2.354 -13.079 -4.373 233 HG LEU 26 HG LEU 26 -1.802 -10.812 -3.515 234 HB2 LEU 26 1HB LEU 26 -3.856 -11.730 -2.224 235 HB3 LEU 26 2HB LEU 26 -2.737 -12.996 -1.688 236 HD11 LEU 26 1HD1 LEU 26 -1.003 -9.711 -1.349 237 HD12 LEU 26 2HD1 LEU 26 -2.249 -10.672 -0.553 238 HD13 LEU 26 3HD1 LEU 26 -2.696 -9.506 -1.800 239 HD21 LEU 26 3HD2 LEU 26 -0.391 -12.801 -3.130 240 HD22 LEU 26 1HD2 LEU 26 -0.401 -12.445 -1.403 241 HD23 LEU 26 2HD2 LEU 26 0.345 -11.314 -2.532 242 H GLU 27 H GLU 27 -5.361 -13.960 -2.682 243 HA GLU 27 HA GLU 27 -4.347 -16.652 -2.231 244 HE2 GLU 27 HE2 GLU 27 -6.493 -15.528 2.940 245 HB2 GLU 27 1HB GLU 27 -7.084 -15.604 -1.509 246 HB3 GLU 27 2HB GLU 27 -6.220 -16.980 -0.805 247 HG2 GLU 27 1HG GLU 27 -4.546 -15.422 0.132 248 HG3 GLU 27 2HG GLU 27 -5.504 -14.074 -0.497 249 H GLY 28 H GLY 28 -5.358 -15.319 -4.879 250 HA2 GLY 28 1HA GLY 28 -7.645 -16.668 -5.756 251 HA3 GLY 28 2HA GLY 28 -6.367 -16.065 -6.801 252 H GLY 29 H GLY 29 -4.551 -17.923 -5.064 253 HA2 GLY 29 1HA GLY 29 -4.842 -20.500 -5.054 254 HA3 GLY 29 2HA GLY 29 -4.992 -20.262 -6.789 255 H GLY 30 H GLY 30 -2.812 -18.859 -4.341 256 HA2 GLY 30 1HA GLY 30 -0.566 -19.388 -6.139 257 HA3 GLY 30 2HA GLY 30 -0.539 -18.346 -4.725 258 H GLY 31 H GLY 31 -1.530 -21.743 -5.107 259 HA2 GLY 31 1HA GLY 31 -0.911 -23.617 -3.931 260 HA3 GLY 31 2HA GLY 31 0.720 -22.984 -4.090 261 H GLY 32 H GLY 32 0.901 -24.148 -1.973 262 HA2 GLY 32 1HA GLY 32 0.108 -22.321 0.210 263 HA3 GLY 32 2HA GLY 32 0.048 -24.069 0.389 264 H GLY 33 H GLY 33 1.771 -21.462 1.251 265 HA2 GLY 33 1HA GLY 33 3.961 -22.929 2.231 266 HA3 GLY 33 2HA GLY 33 4.449 -22.131 0.743 267 H GLY 34 H GLY 34 2.123 -20.796 3.010 268 HA2 GLY 34 1HA GLY 34 4.081 -19.074 4.262 269 HA3 GLY 34 2HA GLY 34 3.025 -18.252 3.123 270 H GLY 35 H GLY 35 0.604 -18.849 3.484 271 HA2 GLY 35 1HA GLY 35 -1.234 -18.908 4.880 272 HA3 GLY 35 2HA GLY 35 -0.178 -19.459 6.172 273 H GLU 36 H GLU 36 0.917 -17.914 7.460 274 HA GLU 36 HA GLU 36 -0.596 -15.680 8.166 275 HE2 GLU 36 HE2 GLU 36 4.243 -15.253 11.512 276 HB2 GLU 36 1HB GLU 36 0.841 -16.553 9.812 277 HB3 GLU 36 2HB GLU 36 2.248 -16.472 8.741 278 HG2 GLU 36 1HG GLU 36 2.227 -14.039 8.846 279 HG3 GLU 36 2HG GLU 36 0.800 -14.097 9.887 280 H LEU 37 H LEU 37 1.694 -16.091 5.653 281 HA LEU 37 HA LEU 37 2.794 -13.590 5.312 282 HG LEU 37 HG LEU 37 0.611 -15.194 2.839 283 HB2 LEU 37 1HB LEU 37 3.420 -14.282 3.243 284 HB3 LEU 37 2HB LEU 37 2.943 -15.844 3.931 285 HD11 LEU 37 1HD1 LEU 37 1.522 -14.241 0.491 286 HD12 LEU 37 2HD1 LEU 37 2.574 -13.375 1.610 287 HD13 LEU 37 3HD1 LEU 37 0.823 -13.231 1.756 288 HD21 LEU 37 3HD2 LEU 37 3.033 -16.463 1.622 289 HD22 LEU 37 1HD2 LEU 37 1.528 -16.335 0.710 290 HD23 LEU 37 2HD2 LEU 37 1.563 -17.221 2.236 291 H MET 38 H MET 38 -0.482 -14.617 4.783 292 HA MET 38 HA MET 38 -1.355 -12.560 3.085 293 HB2 MET 38 1HB MET 38 -2.698 -14.541 3.464 294 HB3 MET 38 2HB MET 38 -2.867 -14.130 5.178 295 HG2 MET 38 1HG MET 38 -3.778 -11.881 3.760 296 HG3 MET 38 2HG MET 38 -4.453 -13.293 2.943 297 HE1 MET 38 3HE MET 38 -3.689 -13.010 6.923 298 HE2 MET 38 1HE MET 38 -3.972 -11.416 6.225 299 HE3 MET 38 2HE MET 38 -5.155 -12.116 7.330 300 H LYS 39 H LYS 39 -1.065 -12.742 6.594 301 HA LYS 39 HA LYS 39 -2.436 -10.421 7.291 302 HB2 LYS 39 1HB LYS 39 -1.697 -12.032 8.950 303 HB3 LYS 39 2HB LYS 39 -0.004 -11.665 8.585 304 HG2 LYS 39 1HG LYS 39 0.027 -9.905 9.947 305 HG3 LYS 39 2HG LYS 39 -1.506 -9.291 9.306 306 HD2 LYS 39 1HD LYS 39 -2.582 -11.213 10.688 307 HD3 LYS 39 2HD LYS 39 -1.036 -11.212 11.555 308 HE2 LYS 39 1HE LYS 39 -1.305 -8.913 12.200 309 HE3 LYS 39 2HE LYS 39 -2.726 -8.749 11.158 310 HZ1 LYS 39 3HZ LYS 39 -2.941 -10.865 13.105 311 HZ2 LYS 39 1HZ LYS 39 -4.052 -9.660 12.689 312 HZ3 LYS 39 2HZ LYS 39 -2.808 -9.322 13.785 313 H LEU 40 H LEU 40 0.703 -10.841 5.861 314 HA LEU 40 HA LEU 40 1.679 -8.219 6.453 315 HG LEU 40 HG LEU 40 3.714 -9.717 7.077 316 HB2 LEU 40 1HB LEU 40 2.595 -10.596 5.042 317 HB3 LEU 40 2HB LEU 40 3.033 -9.097 4.204 318 HD11 LEU 40 1HD1 LEU 40 4.908 -10.626 4.645 319 HD12 LEU 40 2HD1 LEU 40 5.390 -10.946 6.312 320 HD13 LEU 40 3HD1 LEU 40 6.016 -9.528 5.469 321 HD21 LEU 40 3HD2 LEU 40 3.477 -7.310 6.465 322 HD22 LEU 40 1HD2 LEU 40 4.754 -7.541 5.270 323 HD23 LEU 40 2HD2 LEU 40 5.100 -7.770 6.985 324 H CYS 41 H CYS 41 0.041 -9.721 3.710 325 HA CYS 41 HA CYS 41 0.225 -7.431 2.018 326 HG CYS 41 HG CYS 41 -0.256 -11.366 0.411 327 HB2 CYS 41 1HB CYS 41 -1.807 -9.651 1.825 328 HB3 CYS 41 2HB CYS 41 -1.204 -8.621 0.516 329 H GLU 42 H GLU 42 -2.133 -8.629 4.326 330 HA GLU 42 HA GLU 42 -4.261 -6.920 3.636 331 HE2 GLU 42 HE2 GLU 42 -8.079 -9.355 7.174 332 HB2 GLU 42 1HB GLU 42 -3.830 -8.950 5.484 333 HB3 GLU 42 2HB GLU 42 -4.117 -7.516 6.481 334 HG2 GLU 42 1HG GLU 42 -6.190 -7.114 5.072 335 HG3 GLU 42 2HG GLU 42 -5.940 -8.748 4.441 336 H GLU 43 H GLU 43 -1.340 -6.398 5.414 337 HA GLU 43 HA GLU 43 -2.003 -4.234 7.016 338 HE2 GLU 43 HE2 GLU 43 0.972 -4.062 10.101 339 HB2 GLU 43 1HB GLU 43 0.581 -4.675 5.500 340 HB3 GLU 43 2HB GLU 43 0.366 -3.607 6.895 341 HG2 GLU 43 1HG GLU 43 -0.572 -6.189 7.623 342 HG3 GLU 43 2HG GLU 43 1.014 -6.365 6.858 343 H ALA 44 H ALA 44 -1.149 -4.310 3.589 344 HA ALA 44 HA ALA 44 -0.875 -1.619 3.059 345 HB1 ALA 44 3HB ALA 44 -1.419 -4.009 1.526 346 HB2 ALA 44 1HB ALA 44 -2.239 -2.601 0.850 347 HB3 ALA 44 2HB ALA 44 -0.492 -2.575 1.087 348 H ALA 45 H ALA 45 -3.853 -3.523 3.272 349 HA ALA 45 HA ALA 45 -5.558 -1.323 2.590 350 HB1 ALA 45 3HB ALA 45 -7.002 -3.323 3.998 351 HB2 ALA 45 1HB ALA 45 -7.003 -2.974 2.269 352 HB3 ALA 45 2HB ALA 45 -5.843 -4.123 2.937 353 H LYS 46 H LYS 46 -4.087 -2.483 5.482 354 HA LYS 46 HA LYS 46 -5.938 -1.274 7.307 355 HB2 LYS 46 1HB LYS 46 -4.711 -3.141 8.120 356 HB3 LYS 46 2HB LYS 46 -3.169 -2.424 7.629 357 HG2 LYS 46 1HG LYS 46 -2.942 -1.329 9.552 358 HG3 LYS 46 2HG LYS 46 -4.606 -0.723 9.481 359 HD2 LYS 46 1HD LYS 46 -5.239 -3.175 10.146 360 HD3 LYS 46 2HD LYS 46 -3.559 -3.242 10.707 361 HE2 LYS 46 1HE LYS 46 -3.980 -1.960 12.501 362 HE3 LYS 46 2HE LYS 46 -4.942 -0.819 11.551 363 HZ1 LYS 46 3HZ LYS 46 -6.859 -1.881 12.036 364 HZ2 LYS 46 1HZ LYS 46 -5.994 -2.374 13.403 365 HZ3 LYS 46 2HZ LYS 46 -6.151 -3.416 12.081 366 H LYS 47 H LYS 47 -2.705 -0.443 6.095 367 HA LYS 47 HA LYS 47 -2.260 1.867 7.559 368 HB2 LYS 47 1HB LYS 47 -1.452 1.182 4.726 369 HB3 LYS 47 2HB LYS 47 -0.825 2.575 5.621 370 HG2 LYS 47 1HG LYS 47 -0.498 -0.328 6.389 371 HG3 LYS 47 2HG LYS 47 0.744 0.730 5.698 372 HD2 LYS 47 1HD LYS 47 1.322 1.075 7.850 373 HD3 LYS 47 2HD LYS 47 -0.043 2.206 7.831 374 HE2 LYS 47 1HE LYS 47 -1.404 0.823 9.046 375 HE3 LYS 47 2HE LYS 47 -0.643 -0.641 8.407 376 HZ1 LYS 47 3HZ LYS 47 -0.115 -0.362 10.731 377 HZ2 LYS 47 1HZ LYS 47 0.524 1.177 10.444 378 HZ3 LYS 47 2HZ LYS 47 1.293 -0.188 9.808 379 H ALA 48 H ALA 48 -3.690 1.632 4.299 380 HA ALA 48 HA ALA 48 -4.301 4.316 3.950 381 HB1 ALA 48 3HB ALA 48 -5.204 3.625 2.030 382 HB2 ALA 48 1HB ALA 48 -4.687 2.008 2.507 383 HB3 ALA 48 2HB ALA 48 -6.332 2.545 2.848 384 H GLU 49 H GLU 49 -6.110 1.793 5.622 385 HA GLU 49 HA GLU 49 -8.506 3.199 6.003 386 HE2 GLU 49 HE2 GLU 49 -11.945 0.376 6.197 387 HB2 GLU 49 1HB GLU 49 -8.104 0.738 6.394 388 HB3 GLU 49 2HB GLU 49 -7.324 1.188 7.918 389 HG2 GLU 49 1HG GLU 49 -9.286 1.196 8.931 390 HG3 GLU 49 2HG GLU 49 -9.825 2.491 7.852 391 H GLU 50 H GLU 50 -5.528 3.100 7.897 392 HA GLU 50 HA GLU 50 -6.550 4.704 10.031 393 HE2 GLU 50 HE2 GLU 50 -2.220 2.739 13.060 394 HB2 GLU 50 1HB GLU 50 -3.879 3.628 9.238 395 HB3 GLU 50 2HB GLU 50 -3.936 4.969 10.394 396 HG2 GLU 50 1HG GLU 50 -5.784 3.323 11.479 397 HG3 GLU 50 2HG GLU 50 -4.690 2.149 10.732 398 H LEU 51 H LEU 51 -4.525 5.327 7.192 399 HA LEU 51 HA LEU 51 -3.986 8.034 7.735 400 HG LEU 51 HG LEU 51 -1.865 6.946 6.957 401 HB2 LEU 51 1HB LEU 51 -3.811 6.228 5.403 402 HB3 LEU 51 2HB LEU 51 -3.933 7.957 5.036 403 HD11 LEU 51 1HD1 LEU 51 -1.071 5.681 5.271 404 HD12 LEU 51 2HD1 LEU 51 -0.459 7.223 4.679 405 HD13 LEU 51 3HD1 LEU 51 -1.964 6.568 4.037 406 HD21 LEU 51 3HD2 LEU 51 -2.203 9.328 6.905 407 HD22 LEU 51 1HD2 LEU 51 -2.085 9.346 5.146 408 HD23 LEU 51 2HD2 LEU 51 -0.669 8.949 6.120 409 H PHE 52 H PHE 52 -6.363 6.628 5.475 410 HA PHE 52 HA PHE 52 -7.629 8.992 4.759 411 HD1 PHE 52 HD2 PHE 52 -9.372 9.390 3.177 412 HD2 PHE 52 HD1 PHE 52 -10.967 5.862 4.946 413 HE1 PHE 52 HE2 PHE 52 -11.646 10.136 2.606 414 HE2 PHE 52 HE1 PHE 52 -13.244 6.603 4.377 415 HZ PHE 52 HZ PHE 52 -13.586 8.742 3.206 416 HB2 PHE 52 1HB PHE 52 -8.064 6.981 3.526 417 HB3 PHE 52 2HB PHE 52 -8.704 6.177 4.960 418 H LYS 53 H LYS 53 -7.942 7.065 7.640 419 HA LYS 53 HA LYS 53 -10.396 7.906 8.617 420 HB2 LYS 53 1HB LYS 53 -8.284 6.385 9.560 421 HB3 LYS 53 2HB LYS 53 -8.348 7.746 10.691 422 HG2 LYS 53 1HG LYS 53 -9.684 5.942 11.552 423 HG3 LYS 53 2HG LYS 53 -10.743 7.280 11.069 424 HD2 LYS 53 1HD LYS 53 -11.313 6.157 9.001 425 HD3 LYS 53 2HD LYS 53 -10.164 4.857 9.366 426 HE2 LYS 53 1HE LYS 53 -12.387 4.088 9.895 427 HE3 LYS 53 2HE LYS 53 -11.480 4.319 11.397 428 HZ1 LYS 53 3HZ LYS 53 -13.011 5.733 12.098 429 HZ2 LYS 53 1HZ LYS 53 -13.922 5.443 10.703 430 HZ3 LYS 53 2HZ LYS 53 -12.807 6.714 10.736 431 H LEU 54 H LEU 54 -7.213 9.305 9.434 432 HA LEU 54 HA LEU 54 -8.397 11.610 10.651 433 HG LEU 54 HG LEU 54 -5.188 11.199 12.407 434 HB2 LEU 54 1HB LEU 54 -5.626 10.672 10.059 435 HB3 LEU 54 2HB LEU 54 -5.888 12.389 10.412 436 HD11 LEU 54 1HD1 LEU 54 -7.494 12.798 12.159 437 HD12 LEU 54 2HD1 LEU 54 -6.456 12.592 13.571 438 HD13 LEU 54 3HD1 LEU 54 -7.859 11.547 13.349 439 HD21 LEU 54 3HD2 LEU 54 -6.169 9.306 13.242 440 HD22 LEU 54 1HD2 LEU 54 -6.377 9.033 11.512 441 HD23 LEU 54 2HD2 LEU 54 -7.724 9.638 12.477 442 H ALA 55 H ALA 55 -7.311 10.768 7.476 443 HA ALA 55 HA ALA 55 -6.762 13.261 6.375 444 HB1 ALA 55 3HB ALA 55 -6.478 10.973 5.314 445 HB2 ALA 55 1HB ALA 55 -8.185 11.079 4.878 446 HB3 ALA 55 2HB ALA 55 -7.041 12.270 4.260 447 H GLU 56 H GLU 56 -9.825 11.750 7.127 448 HA GLU 56 HA GLU 56 -11.512 13.385 5.590 449 HE2 GLU 56 HE2 GLU 56 -14.511 8.664 6.493 450 HB2 GLU 56 1HB GLU 56 -12.269 12.288 8.292 451 HB3 GLU 56 2HB GLU 56 -13.296 12.532 6.871 452 HG2 GLU 56 1HG GLU 56 -11.358 10.765 5.982 453 HG3 GLU 56 2HG GLU 56 -11.704 10.237 7.635 454 H GLU 57 H GLU 57 -9.883 13.919 8.615 455 HA GLU 57 HA GLU 57 -11.459 16.156 9.439 456 HE2 GLU 57 HE2 GLU 57 -7.861 15.387 13.705 457 HB2 GLU 57 1HB GLU 57 -10.077 14.716 10.965 458 HB3 GLU 57 2HB GLU 57 -8.636 15.482 10.276 459 HG2 GLU 57 1HG GLU 57 -9.360 17.657 11.075 460 HG3 GLU 57 2HG GLU 57 -10.846 16.936 11.711 461 H ARG 58 H ARG 58 -8.299 15.804 7.856 462 HA ARG 58 HA ARG 58 -7.969 18.648 7.564 463 HE ARG 58 HE ARG 58 -4.292 15.847 6.383 464 HB2 ARG 58 1HB ARG 58 -6.412 16.481 6.147 465 HB3 ARG 58 2HB ARG 58 -5.899 18.140 6.489 466 HG2 ARG 58 1HG ARG 58 -4.926 17.440 8.350 467 HG3 ARG 58 2HG ARG 58 -6.518 16.972 8.972 468 HD2 ARG 58 1HD ARG 58 -4.880 15.108 9.008 469 HD3 ARG 58 2HD ARG 58 -6.309 14.771 8.019 470 HH11 ARG 58 1HH1 ARG 58 -5.050 12.963 8.179 471 HH12 ARG 58 2HH1 ARG 58 -4.135 11.920 7.141 472 HH21 ARG 58 1HH2 ARG 58 -3.085 14.484 5.010 473 HH22 ARG 58 2HH2 ARG 58 -3.016 12.786 5.340 474 H LEU 59 H LEU 59 -9.659 16.255 5.892 475 HA LEU 59 HA LEU 59 -9.624 17.800 3.391 476 HG LEU 59 HG LEU 59 -7.997 15.379 3.728 477 HB2 LEU 59 1HB LEU 59 -10.506 14.964 3.953 478 HB3 LEU 59 2HB LEU 59 -10.659 15.779 2.386 479 HD11 LEU 59 1HD1 LEU 59 -7.781 13.459 2.078 480 HD12 LEU 59 2HD1 LEU 59 -9.540 13.510 1.954 481 HD13 LEU 59 3HD1 LEU 59 -8.774 13.174 3.508 482 HD21 LEU 59 3HD2 LEU 59 -7.353 16.668 2.032 483 HD22 LEU 59 1HD2 LEU 59 -8.948 16.595 1.280 484 HD23 LEU 59 2HD2 LEU 59 -7.764 15.326 0.962 485 H LYS 60 H LYS 60 -11.413 17.375 6.157 486 HA LYS 60 HA LYS 60 -13.747 18.601 4.914 487 HB2 LYS 60 1HB LYS 60 -14.198 16.345 6.845 488 HB3 LYS 60 2HB LYS 60 -15.319 17.050 5.669 489 HG2 LYS 60 1HG LYS 60 -14.238 15.975 3.846 490 HG3 LYS 60 2HG LYS 60 -12.884 15.474 4.875 491 HD2 LYS 60 1HD LYS 60 -13.942 13.561 5.297 492 HD3 LYS 60 2HD LYS 60 -15.225 14.486 6.096 493 HE2 LYS 60 1HE LYS 60 -15.828 14.834 3.435 494 HE3 LYS 60 2HE LYS 60 -15.204 13.179 3.481 495 HZ1 LYS 60 3HZ LYS 60 -17.534 13.096 3.857 496 HZ2 LYS 60 1HZ LYS 60 -17.460 14.282 5.062 497 HZ3 LYS 60 2HZ LYS 60 -16.785 12.755 5.335 498 H LYS 61 H LYS 61 -15.435 18.559 7.109 499 HA LYS 61 HA LYS 61 -14.031 20.400 8.886 500 HB2 LYS 61 1HB LYS 61 -16.174 21.086 7.851 501 HB3 LYS 61 2HB LYS 61 -16.982 19.762 8.704 502 HG2 LYS 61 1HG LYS 61 -17.129 20.917 10.605 503 HG3 LYS 61 2HG LYS 61 -15.451 21.474 10.487 504 HD2 LYS 61 1HD LYS 61 -16.025 23.318 9.144 505 HD3 LYS 61 2HD LYS 61 -17.618 22.640 8.763 506 HE2 LYS 61 1HE LYS 61 -18.053 22.812 11.316 507 HE3 LYS 61 2HE LYS 61 -16.673 23.920 11.303 508 HZ1 LYS 61 3HZ LYS 61 -18.039 25.516 10.654 509 HZ2 LYS 61 1HZ LYS 61 -19.338 24.436 10.567 510 HZ3 LYS 61 2HZ LYS 61 -18.349 24.678 9.217 511 H LEU 62 H LEU 62 -16.261 17.633 9.184 512 HA LEU 62 HA LEU 62 -16.629 16.158 10.882 513 HG LEU 62 HG LEU 62 -14.777 14.867 9.204 514 HB2 LEU 62 1HB LEU 62 -13.679 16.481 10.693 515 HB3 LEU 62 2HB LEU 62 -14.323 15.608 12.095 516 HD11 LEU 62 1HD1 LEU 62 -12.510 14.414 9.780 517 HD12 LEU 62 2HD1 LEU 62 -13.388 12.886 9.832 518 HD13 LEU 62 3HD1 LEU 62 -12.981 13.719 11.331 519 HD21 LEU 62 3HD2 LEU 62 -15.744 13.707 11.798 520 HD22 LEU 62 1HD2 LEU 62 -15.600 12.725 10.341 521 HD23 LEU 62 2HD2 LEU 62 -16.671 14.125 10.356 522 HA MET 1 HA MET 1 12.786 -23.399 -9.492 523 H1 MET 1 1H MET 1 14.688 -22.716 -10.705 524 HB2 MET 1 1HB MET 1 14.056 -21.329 -7.690 525 HB3 MET 1 2HB MET 1 13.186 -22.791 -7.199 526 HG2 MET 1 1HG MET 1 15.102 -23.894 -7.131 527 HG3 MET 1 2HG MET 1 15.269 -23.647 -8.872 528 HE1 MET 1 3HE MET 1 17.659 -24.050 -8.456 529 HE2 MET 1 1HE MET 1 18.822 -22.794 -8.032 530 HE3 MET 1 2HE MET 1 18.050 -23.744 -6.763 531 H LYS 2 H LYS 2 11.265 -22.226 -10.998 532 HA LYS 2 HA LYS 2 9.340 -20.830 -9.489 533 HB2 LYS 2 1HB LYS 2 9.405 -18.644 -10.592 534 HB3 LYS 2 2HB LYS 2 10.905 -18.960 -9.704 535 HG2 LYS 2 1HG LYS 2 11.967 -19.658 -11.848 536 HG3 LYS 2 2HG LYS 2 10.490 -19.137 -12.679 537 HD2 LYS 2 1HD LYS 2 10.791 -16.861 -11.757 538 HD3 LYS 2 2HD LYS 2 12.305 -17.397 -11.008 539 HE2 LYS 2 1HE LYS 2 12.397 -18.147 -13.751 540 HE3 LYS 2 2HE LYS 2 11.862 -16.462 -13.663 541 HZ1 LYS 2 3HZ LYS 2 14.221 -16.477 -13.759 542 HZ2 LYS 2 1HZ LYS 2 14.341 -17.609 -12.508 543 HZ3 LYS 2 2HZ LYS 2 13.796 -16.042 -12.180 544 H LYS 3 H LYS 3 7.468 -20.164 -10.811 545 HA LYS 3 HA LYS 3 7.412 -21.365 -13.486 546 HB2 LYS 3 1HB LYS 3 5.760 -22.119 -11.118 547 HB3 LYS 3 2HB LYS 3 4.985 -22.116 -12.710 548 HG2 LYS 3 1HG LYS 3 6.124 -23.927 -13.440 549 HG3 LYS 3 2HG LYS 3 7.582 -23.505 -12.525 550 HD2 LYS 3 1HD LYS 3 6.992 -25.196 -11.168 551 HD3 LYS 3 2HD LYS 3 5.809 -24.045 -10.520 552 HE2 LYS 3 1HE LYS 3 4.620 -25.131 -12.825 553 HE3 LYS 3 2HE LYS 3 5.369 -26.490 -11.973 554 HZ1 LYS 3 3HZ LYS 3 3.542 -26.475 -10.725 555 HZ2 LYS 3 1HZ LYS 3 3.065 -24.941 -11.259 556 HZ3 LYS 3 2HZ LYS 3 4.167 -25.088 -9.983 557 H LEU 4 H LEU 4 4.915 -20.023 -11.340 558 HA LEU 4 HA LEU 4 4.661 -17.705 -13.109 559 HG LEU 4 HG LEU 4 1.130 -20.049 -12.605 560 HB2 LEU 4 1HB LEU 4 2.359 -17.963 -13.474 561 HB3 LEU 4 2HB LEU 4 3.070 -19.558 -13.778 562 HD11 LEU 4 1HD1 LEU 4 3.256 -21.001 -11.610 563 HD12 LEU 4 2HD1 LEU 4 1.830 -21.009 -10.574 564 HD13 LEU 4 3HD1 LEU 4 3.085 -19.792 -10.337 565 HD21 LEU 4 3HD2 LEU 4 1.566 -18.173 -10.357 566 HD22 LEU 4 1HD2 LEU 4 0.066 -18.722 -11.106 567 HD23 LEU 4 2HD2 LEU 4 1.043 -17.480 -11.891 568 H ARG 5 H ARG 5 5.162 -18.761 -10.114 569 HA ARG 5 HA ARG 5 3.330 -17.219 -8.571 570 HE ARG 5 HE ARG 5 3.068 -21.487 -6.269 571 HB2 ARG 5 1HB ARG 5 5.974 -18.534 -7.948 572 HB3 ARG 5 2HB ARG 5 5.071 -17.607 -6.740 573 HG2 ARG 5 1HG ARG 5 3.122 -19.125 -7.121 574 HG3 ARG 5 2HG ARG 5 4.178 -20.111 -8.149 575 HD2 ARG 5 1HD ARG 5 5.691 -20.509 -6.282 576 HD3 ARG 5 2HD ARG 5 4.709 -19.456 -5.253 577 HH11 ARG 5 1HH1 ARG 5 5.740 -21.063 -4.077 578 HH12 ARG 5 2HH1 ARG 5 5.309 -22.416 -3.085 579 HH21 ARG 5 1HH2 ARG 5 2.490 -23.270 -4.969 580 HH22 ARG 5 2HH2 ARG 5 3.462 -23.672 -3.593 581 H GLU 6 H GLU 6 6.573 -16.664 -9.839 582 HA GLU 6 HA GLU 6 7.258 -14.356 -8.473 583 HE2 GLU 6 HE2 GLU 6 11.247 -17.453 -8.933 584 HB2 GLU 6 1HB GLU 6 8.062 -15.681 -10.945 585 HB3 GLU 6 2HB GLU 6 8.214 -13.920 -11.041 586 HG2 GLU 6 1HG GLU 6 10.267 -14.401 -10.213 587 HG3 GLU 6 2HG GLU 6 9.376 -14.246 -8.692 588 H GLU 7 H GLU 7 4.945 -14.813 -11.023 589 HA GLU 7 HA GLU 7 4.696 -12.253 -12.047 590 HE2 GLU 7 HE2 GLU 7 1.807 -13.770 -16.244 591 HB2 GLU 7 1HB GLU 7 2.672 -14.441 -11.593 592 HB3 GLU 7 2HB GLU 7 2.234 -12.908 -12.365 593 HG2 GLU 7 1HG GLU 7 4.289 -13.468 -13.912 594 HG3 GLU 7 2HG GLU 7 3.941 -15.119 -13.378 595 H ALA 8 H ALA 8 3.508 -13.579 -9.028 596 HA ALA 8 HA ALA 8 1.850 -11.332 -8.387 597 HB1 ALA 8 3HB ALA 8 2.126 -12.471 -6.013 598 HB2 ALA 8 1HB ALA 8 1.093 -13.163 -7.264 599 HB3 ALA 8 2HB ALA 8 2.712 -13.810 -7.000 600 H ALA 9 H ALA 9 5.190 -12.164 -7.944 601 HA ALA 9 HA ALA 9 5.874 -10.533 -5.790 602 HB1 ALA 9 3HB ALA 9 7.818 -10.726 -8.012 603 HB2 ALA 9 1HB ALA 9 8.027 -11.034 -6.288 604 HB3 ALA 9 2HB ALA 9 7.250 -12.242 -7.312 605 H LYS 10 H LYS 10 5.645 -9.774 -9.242 606 HA LYS 10 HA LYS 10 6.685 -7.196 -9.201 607 HB2 LYS 10 1HB LYS 10 4.360 -8.097 -10.912 608 HB3 LYS 10 2HB LYS 10 5.548 -6.837 -11.282 609 HG2 LYS 10 1HG LYS 10 7.311 -8.662 -11.233 610 HG3 LYS 10 2HG LYS 10 5.960 -9.811 -11.224 611 HD2 LYS 10 1HD LYS 10 5.344 -9.340 -13.376 612 HD3 LYS 10 2HD LYS 10 5.925 -7.668 -13.281 613 HE2 LYS 10 1HE LYS 10 8.039 -9.703 -13.042 614 HE3 LYS 10 2HE LYS 10 7.194 -9.690 -14.597 615 HZ1 LYS 10 3HZ LYS 10 8.317 -7.891 -15.188 616 HZ2 LYS 10 1HZ LYS 10 9.195 -7.965 -13.744 617 HZ3 LYS 10 2HZ LYS 10 7.780 -7.042 -13.827 618 H LEU 11 H LEU 11 3.507 -8.370 -8.301 619 HA LEU 11 HA LEU 11 2.037 -6.037 -8.257 620 HG LEU 11 HG LEU 11 1.697 -9.345 -8.265 621 HB2 LEU 11 1HB LEU 11 1.939 -8.208 -6.156 622 HB3 LEU 11 2HB LEU 11 0.646 -7.073 -6.582 623 HD11 LEU 11 1HD1 LEU 11 0.238 -10.316 -6.781 624 HD12 LEU 11 2HD1 LEU 11 -0.857 -9.867 -8.089 625 HD13 LEU 11 3HD1 LEU 11 -0.757 -8.867 -6.639 626 HD21 LEU 11 3HD2 LEU 11 0.420 -6.894 -9.058 627 HD22 LEU 11 1HD2 LEU 11 -0.620 -8.274 -9.409 628 HD23 LEU 11 2HD2 LEU 11 1.021 -8.219 -10.055 629 H PHE 12 H PHE 12 4.265 -7.280 -5.800 630 HA PHE 12 HA PHE 12 3.792 -5.133 -3.973 631 HD1 PHE 12 HD2 PHE 12 2.877 -6.125 -2.446 632 HD2 PHE 12 HD1 PHE 12 5.646 -9.262 -3.221 633 HE1 PHE 12 HE2 PHE 12 1.354 -7.730 -1.370 634 HE2 PHE 12 HE1 PHE 12 4.127 -10.873 -2.147 635 HZ PHE 12 HZ PHE 12 1.978 -10.108 -1.218 636 HB2 PHE 12 1HB PHE 12 6.042 -7.157 -4.129 637 HB3 PHE 12 2HB PHE 12 5.786 -6.041 -2.785 638 H GLU 13 H GLU 13 5.962 -5.696 -6.634 639 HA GLU 13 HA GLU 13 7.959 -3.828 -6.066 640 HE2 GLU 13 HE2 GLU 13 9.402 -1.638 -9.911 641 HB2 GLU 13 1HB GLU 13 7.419 -5.570 -8.123 642 HB3 GLU 13 2HB GLU 13 7.216 -3.991 -8.898 643 HG2 GLU 13 1HG GLU 13 9.607 -4.076 -7.262 644 HG3 GLU 13 2HG GLU 13 9.594 -5.348 -8.492 645 H GLU 14 H GLU 14 4.900 -3.430 -7.827 646 HA GLU 14 HA GLU 14 5.321 -0.639 -8.303 647 HE2 GLU 14 HE2 GLU 14 2.444 -0.847 -12.485 648 HB2 GLU 14 1HB GLU 14 2.679 -2.098 -8.403 649 HB3 GLU 14 2HB GLU 14 3.148 -0.632 -9.278 650 HG2 GLU 14 1HG GLU 14 4.987 -2.218 -10.298 651 HG3 GLU 14 2HG GLU 14 3.827 -3.470 -9.836 652 H TRP 15 H TRP 15 3.876 -2.543 -5.784 653 HA TRP 15 HA TRP 15 2.184 -0.689 -4.590 654 HD1 TRP 15 HD1 TRP 15 0.862 -2.287 -5.442 655 HE1 TRP 15 HE1 TRP 15 -1.300 -3.502 -4.753 656 HE3 TRP 15 HE3 TRP 15 2.249 -3.824 -0.769 657 HZ2 TRP 15 HZ2 TRP 15 -2.287 -4.924 -2.523 658 HZ3 TRP 15 HZ3 TRP 15 0.637 -5.106 0.579 659 HH2 TRP 15 HH2 TRP 15 -1.584 -5.643 -0.282 660 HB2 TRP 15 1HB TRP 15 3.648 -3.111 -3.708 661 HB3 TRP 15 2HB TRP 15 3.145 -2.011 -2.425 662 H LYS 16 H LYS 16 5.596 -1.347 -3.781 663 HA LYS 16 HA LYS 16 5.796 0.876 -2.010 664 HB2 LYS 16 1HB LYS 16 8.258 0.406 -2.120 665 HB3 LYS 16 2HB LYS 16 7.260 -0.980 -1.651 666 HG2 LYS 16 1HG LYS 16 7.469 -1.979 -3.804 667 HG3 LYS 16 2HG LYS 16 8.234 -0.521 -4.458 668 HD2 LYS 16 1HD LYS 16 9.635 -1.548 -2.116 669 HD3 LYS 16 2HD LYS 16 9.541 -2.732 -3.431 670 HE2 LYS 16 1HE LYS 16 10.255 -0.663 -4.914 671 HE3 LYS 16 2HE LYS 16 10.876 -0.068 -3.367 672 HZ1 LYS 16 3HZ LYS 16 11.546 -2.810 -4.138 673 HZ2 LYS 16 1HZ LYS 16 12.455 -1.682 -3.265 674 HZ3 LYS 16 2HZ LYS 16 12.333 -1.550 -4.948 675 H LYS 17 H LYS 17 6.008 0.515 -5.406 676 HA LYS 17 HA LYS 17 7.723 2.716 -5.963 677 HB2 LYS 17 1HB LYS 17 7.101 0.764 -7.503 678 HB3 LYS 17 2HB LYS 17 5.601 1.652 -7.818 679 HG2 LYS 17 1HG LYS 17 8.038 3.260 -8.121 680 HG3 LYS 17 2HG LYS 17 7.894 1.905 -9.255 681 HD2 LYS 17 1HD LYS 17 5.573 2.704 -9.796 682 HD3 LYS 17 2HD LYS 17 5.919 4.142 -8.819 683 HE2 LYS 17 1HE LYS 17 6.415 4.846 -10.988 684 HE3 LYS 17 2HE LYS 17 7.994 4.410 -10.320 685 HZ1 LYS 17 3HZ LYS 17 7.156 3.545 -12.663 686 HZ2 LYS 17 1HZ LYS 17 6.530 2.301 -11.702 687 HZ3 LYS 17 2HZ LYS 17 8.188 2.632 -11.681 688 H LEU 18 H LEU 18 4.183 2.338 -6.166 689 HA LEU 18 HA LEU 18 3.562 4.956 -6.860 690 HG LEU 18 HG LEU 18 2.154 2.584 -7.835 691 HB2 LEU 18 1HB LEU 18 2.082 2.797 -5.398 692 HB3 LEU 18 2HB LEU 18 1.373 4.413 -5.564 693 HD11 LEU 18 1HD1 LEU 18 0.192 1.625 -7.395 694 HD12 LEU 18 2HD1 LEU 18 -0.541 3.114 -7.988 695 HD13 LEU 18 3HD1 LEU 18 -0.271 2.892 -6.259 696 HD21 LEU 18 3HD2 LEU 18 1.281 5.420 -7.702 697 HD22 LEU 18 1HD2 LEU 18 0.646 4.416 -9.006 698 HD23 LEU 18 2HD2 LEU 18 2.387 4.625 -8.822 699 H ALA 19 H ALA 19 4.527 3.625 -3.810 700 HA ALA 19 HA ALA 19 3.572 5.763 -2.177 701 HB1 ALA 19 3HB ALA 19 5.725 4.552 -0.861 702 HB2 ALA 19 1HB ALA 19 4.006 4.219 -0.642 703 HB3 ALA 19 2HB ALA 19 4.949 3.270 -1.792 704 H GLU 20 H GLU 20 6.395 5.239 -4.117 705 HA GLU 20 HA GLU 20 8.054 7.182 -2.841 706 HE2 GLU 20 HE2 GLU 20 11.961 5.193 -2.806 707 HB2 GLU 20 1HB GLU 20 8.270 6.174 -5.684 708 HB3 GLU 20 2HB GLU 20 9.556 6.874 -4.688 709 HG2 GLU 20 1HG GLU 20 8.512 4.657 -3.270 710 HG3 GLU 20 2HG GLU 20 8.778 4.152 -4.945 711 H GLU 21 H GLU 21 6.117 7.187 -5.827 712 HA GLU 21 HA GLU 21 6.654 9.930 -6.407 713 HE2 GLU 21 HE2 GLU 21 7.432 10.276 -10.390 714 HB2 GLU 21 1HB GLU 21 4.385 8.216 -7.441 715 HB3 GLU 21 2HB GLU 21 5.025 9.694 -8.175 716 HG2 GLU 21 1HG GLU 21 7.126 7.752 -7.813 717 HG3 GLU 21 2HG GLU 21 5.774 7.067 -8.726 718 H ALA 22 H ALA 22 3.784 8.217 -5.176 719 HA ALA 22 HA ALA 22 2.106 10.395 -4.837 720 HB1 ALA 22 3HB ALA 22 2.181 8.092 -2.911 721 HB2 ALA 22 1HB ALA 22 0.791 9.038 -3.443 722 HB3 ALA 22 2HB ALA 22 1.578 7.922 -4.560 723 H ALA 23 H ALA 23 4.792 9.322 -2.881 724 HA ALA 23 HA ALA 23 4.179 10.878 -0.578 725 HB1 ALA 23 3HB ALA 23 6.537 9.344 -1.541 726 HB2 ALA 23 1HB ALA 23 6.773 10.523 -0.250 727 HB3 ALA 23 2HB ALA 23 5.628 9.198 -0.036 728 H LYS 24 H LYS 24 6.568 11.324 -3.189 729 HA LYS 24 HA LYS 24 7.409 13.882 -2.359 730 HB2 LYS 24 1HB LYS 24 8.334 14.088 -4.661 731 HB3 LYS 24 2HB LYS 24 8.787 12.583 -3.846 732 HG2 LYS 24 1HG LYS 24 7.079 11.365 -5.094 733 HG3 LYS 24 2HG LYS 24 6.603 12.870 -5.900 734 HD2 LYS 24 1HD LYS 24 9.475 12.114 -6.039 735 HD3 LYS 24 2HD LYS 24 8.330 11.142 -6.979 736 HE2 LYS 24 1HE LYS 24 8.317 14.153 -7.108 737 HE3 LYS 24 2HE LYS 24 9.395 13.179 -8.117 738 HZ1 LYS 24 3HZ LYS 24 7.407 13.653 -9.331 739 HZ2 LYS 24 1HZ LYS 24 6.430 13.064 -8.081 740 HZ3 LYS 24 2HZ LYS 24 7.413 12.003 -8.958 741 H LEU 25 H LEU 25 4.792 12.802 -4.426 742 HA LEU 25 HA LEU 25 4.157 15.420 -5.410 743 HG LEU 25 HG LEU 25 4.266 13.801 -7.608 744 HB2 LEU 25 1HB LEU 25 3.170 12.684 -5.744 745 HB3 LEU 25 2HB LEU 25 1.890 13.909 -5.752 746 HD11 LEU 25 1HD1 LEU 25 2.476 12.120 -8.004 747 HD12 LEU 25 2HD1 LEU 25 2.680 13.274 -9.322 748 HD13 LEU 25 3HD1 LEU 25 1.333 13.450 -8.198 749 HD21 LEU 25 3HD2 LEU 25 3.888 15.919 -8.152 750 HD22 LEU 25 1HD2 LEU 25 2.776 16.027 -6.787 751 HD23 LEU 25 2HD2 LEU 25 2.168 15.601 -8.386 752 H LEU 26 H LEU 26 2.945 13.310 -2.852 753 HA LEU 26 HA LEU 26 0.657 14.637 -2.099 754 HG LEU 26 HG LEU 26 0.327 12.203 -1.734 755 HB2 LEU 26 1HB LEU 26 2.629 12.903 -0.765 756 HB3 LEU 26 2HB LEU 26 1.671 13.926 0.318 757 HD11 LEU 26 1HD1 LEU 26 0.072 10.560 0.209 758 HD12 LEU 26 2HD1 LEU 26 1.471 11.372 0.910 759 HD13 LEU 26 3HD1 LEU 26 1.608 10.576 -0.658 760 HD21 LEU 26 3HD2 LEU 26 -0.952 13.948 -0.542 761 HD22 LEU 26 1HD2 LEU 26 -0.529 13.180 0.988 762 HD23 LEU 26 2HD2 LEU 26 -1.523 12.317 -0.187 763 H GLU 27 H GLU 27 3.971 15.269 -0.960 764 HA GLU 27 HA GLU 27 3.077 17.702 0.366 765 HE2 GLU 27 HE2 GLU 27 6.375 15.457 4.464 766 HB2 GLU 27 1HB GLU 27 5.913 16.689 0.177 767 HB3 GLU 27 2HB GLU 27 5.220 17.787 1.381 768 HG2 GLU 27 1HG GLU 27 3.825 15.939 2.237 769 HG3 GLU 27 2HG GLU 27 4.613 14.855 1.083 770 H GLY 28 H GLY 28 3.466 17.113 -2.689 771 HA2 GLY 28 1HA GLY 28 5.480 18.783 -3.677 772 HA3 GLY 28 2HA GLY 28 4.009 18.358 -4.539 773 H GLY 29 H GLY 29 2.610 19.621 -2.043 774 HA2 GLY 29 1HA GLY 29 2.805 22.106 -1.421 775 HA3 GLY 29 2HA GLY 29 2.678 22.347 -3.158 776 H GLY 30 H GLY 30 0.937 20.050 -1.086 777 HA2 GLY 30 1HA GLY 30 -1.573 21.181 -2.120 778 HA3 GLY 30 2HA GLY 30 -1.378 19.570 -1.444 779 H GLY 31 H GLY 31 -0.661 22.878 -0.304 780 HA2 GLY 31 1HA GLY 31 -1.197 23.938 1.659 781 HA3 GLY 31 2HA GLY 31 -2.671 22.981 1.639 782 H GLY 32 H GLY 32 -2.769 22.518 3.803 783 HA2 GLY 32 1HA GLY 32 -0.441 21.204 5.022 784 HA3 GLY 32 2HA GLY 32 -1.805 21.889 5.893 785 H GLY 33 H GLY 33 -0.369 19.064 5.078 786 HA2 GLY 33 1HA GLY 33 -2.363 17.420 6.108 787 HA3 GLY 33 2HA GLY 33 -2.564 17.420 4.362 788 H GLY 34 H GLY 34 0.527 17.686 6.024 789 HA2 GLY 34 1HA GLY 34 1.137 14.885 5.463 790 HA3 GLY 34 2HA GLY 34 2.092 16.090 4.612 791 H GLY 35 H GLY 35 3.609 17.317 5.733 792 HA2 GLY 35 1HA GLY 35 5.269 17.590 7.300 793 HA3 GLY 35 2HA GLY 35 3.949 17.549 8.459 794 H GLU 36 H GLU 36 4.374 16.187 10.052 795 HA GLU 36 HA GLU 36 6.229 14.023 9.747 796 HE2 GLU 36 HE2 GLU 36 4.957 14.037 15.499 797 HB2 GLU 36 1HB GLU 36 6.254 15.110 11.847 798 HB3 GLU 36 2HB GLU 36 4.498 14.967 12.023 799 HG2 GLU 36 1HG GLU 36 4.690 12.553 12.281 800 HG3 GLU 36 2HG GLU 36 6.442 12.670 12.070 801 H LEU 37 H LEU 37 2.796 14.394 9.575 802 HA LEU 37 HA LEU 37 1.968 11.780 10.147 803 HG LEU 37 HG LEU 37 1.122 13.445 7.010 804 HB2 LEU 37 1HB LEU 37 -0.081 12.493 9.570 805 HB3 LEU 37 2HB LEU 37 0.705 14.081 9.541 806 HD11 LEU 37 1HD1 LEU 37 -1.268 12.337 6.447 807 HD12 LEU 37 2HD1 LEU 37 -0.877 11.500 7.948 808 HD13 LEU 37 3HD1 LEU 37 0.234 11.422 6.582 809 HD21 LEU 37 3HD2 LEU 37 -1.369 14.530 8.286 810 HD22 LEU 37 1HD2 LEU 37 -1.170 14.474 6.535 811 HD23 LEU 37 2HD2 LEU 37 -0.045 15.409 7.520 812 H MET 38 H MET 38 3.595 13.098 7.413 813 HA MET 38 HA MET 38 2.847 11.368 5.376 814 HB2 MET 38 1HB MET 38 4.267 13.343 5.041 815 HB3 MET 38 2HB MET 38 5.588 12.534 5.898 816 HG2 MET 38 1HG MET 38 4.763 10.775 3.848 817 HG3 MET 38 2HG MET 38 4.875 12.388 3.138 818 HE1 MET 38 3HE MET 38 7.193 10.978 6.162 819 HE2 MET 38 1HE MET 38 6.592 9.653 5.165 820 HE3 MET 38 2HE MET 38 8.305 10.071 5.136 821 H LYS 39 H LYS 39 4.802 10.791 8.173 822 HA LYS 39 HA LYS 39 6.331 8.617 7.400 823 HB2 LYS 39 1HB LYS 39 6.589 9.685 9.569 824 HB3 LYS 39 2HB LYS 39 4.981 9.125 10.057 825 HG2 LYS 39 1HG LYS 39 5.741 7.130 10.686 826 HG3 LYS 39 2HG LYS 39 6.692 6.943 9.201 827 HD2 LYS 39 1HD LYS 39 8.299 8.671 10.292 828 HD3 LYS 39 2HD LYS 39 7.478 8.218 11.796 829 HE2 LYS 39 1HE LYS 39 8.115 5.917 11.547 830 HE3 LYS 39 2HE LYS 39 8.737 6.226 9.918 831 HZ1 LYS 39 3HZ LYS 39 9.928 7.874 11.964 832 HZ2 LYS 39 1HZ LYS 39 10.661 6.998 10.715 833 HZ3 LYS 39 2HZ LYS 39 10.231 6.220 12.154 834 H LEU 40 H LEU 40 2.916 8.818 8.002 835 HA LEU 40 HA LEU 40 2.445 6.027 8.310 836 HG LEU 40 HG LEU 40 0.996 7.071 10.203 837 HB2 LEU 40 1HB LEU 40 0.878 8.477 8.159 838 HB3 LEU 40 2HB LEU 40 0.102 7.121 7.322 839 HD11 LEU 40 1HD1 LEU 40 -1.305 8.257 8.991 840 HD12 LEU 40 2HD1 LEU 40 -0.858 8.179 10.696 841 HD13 LEU 40 3HD1 LEU 40 -1.800 6.876 9.971 842 HD21 LEU 40 3HD2 LEU 40 0.928 4.887 8.996 843 HD22 LEU 40 1HD2 LEU 40 -0.789 5.164 8.701 844 HD23 LEU 40 2HD2 LEU 40 -0.194 5.003 10.353 845 H CYS 41 H CYS 41 2.518 8.228 5.571 846 HA CYS 41 HA CYS 41 1.449 6.380 3.685 847 HG CYS 41 HG CYS 41 1.296 10.610 3.042 848 HB2 CYS 41 1HB CYS 41 3.241 8.725 3.069 849 HB3 CYS 41 2HB CYS 41 2.020 7.989 2.017 850 H GLU 42 H GLU 42 4.673 7.164 4.819 851 HA GLU 42 HA GLU 42 6.176 5.912 2.822 852 HE2 GLU 42 HE2 GLU 42 11.279 7.498 4.933 853 HB2 GLU 42 1HB GLU 42 6.705 7.233 5.209 854 HB3 GLU 42 2HB GLU 42 7.325 5.597 5.478 855 HG2 GLU 42 1HG GLU 42 8.546 5.838 3.265 856 HG3 GLU 42 2HG GLU 42 8.131 7.555 3.354 857 H GLU 43 H GLU 43 4.296 4.598 5.408 858 HA GLU 43 HA GLU 43 5.478 2.127 5.815 859 HE2 GLU 43 HE2 GLU 43 4.088 0.682 9.601 860 HB2 GLU 43 1HB GLU 43 2.521 2.773 5.744 861 HB3 GLU 43 2HB GLU 43 3.245 1.338 6.486 862 HG2 GLU 43 1HG GLU 43 4.544 3.628 7.561 863 HG3 GLU 43 2HG GLU 43 2.795 3.887 7.634 864 H ALA 44 H ALA 44 3.351 3.193 3.223 865 HA ALA 44 HA ALA 44 2.679 0.794 2.043 866 HB1 ALA 44 3HB ALA 44 2.785 3.567 1.234 867 HB2 ALA 44 1HB ALA 44 3.174 2.485 -0.105 868 HB3 ALA 44 2HB ALA 44 1.652 2.298 0.768 869 H ALA 45 H ALA 45 5.653 2.678 1.647 870 HA ALA 45 HA ALA 45 6.785 0.878 -0.273 871 HB1 ALA 45 3HB ALA 45 8.816 2.411 0.984 872 HB2 ALA 45 1HB ALA 45 8.114 2.615 -0.622 873 HB3 ALA 45 2HB ALA 45 7.403 3.443 0.763 874 H LYS 46 H LYS 46 6.639 1.025 3.167 875 HA LYS 46 HA LYS 46 8.943 -0.625 3.648 876 HB2 LYS 46 1HB LYS 46 8.344 0.881 5.386 877 HB3 LYS 46 2HB LYS 46 6.667 0.313 5.391 878 HG2 LYS 46 1HG LYS 46 7.110 -1.318 6.836 879 HG3 LYS 46 2HG LYS 46 8.536 -1.837 5.920 880 HD2 LYS 46 1HD LYS 46 9.632 0.313 6.936 881 HD3 LYS 46 2HD LYS 46 8.331 0.166 8.131 882 HE2 LYS 46 1HE LYS 46 9.296 -1.589 9.145 883 HE3 LYS 46 2HE LYS 46 9.676 -2.365 7.601 884 HZ1 LYS 46 3HZ LYS 46 11.728 -1.454 7.536 885 HZ2 LYS 46 1HZ LYS 46 11.534 -1.419 9.216 886 HZ3 LYS 46 2HZ LYS 46 11.258 -0.022 8.305 887 H LYS 47 H LYS 47 5.435 -1.112 3.573 888 HA LYS 47 HA LYS 47 5.319 -3.750 4.419 889 HB2 LYS 47 1HB LYS 47 3.624 -2.291 2.382 890 HB3 LYS 47 2HB LYS 47 3.224 -3.886 3.039 891 HG2 LYS 47 1HG LYS 47 3.475 -1.320 4.613 892 HG3 LYS 47 2HG LYS 47 1.973 -2.157 4.182 893 HD2 LYS 47 1HD LYS 47 2.183 -3.094 6.223 894 HD3 LYS 47 2HD LYS 47 3.331 -4.162 5.397 895 HE2 LYS 47 1HE LYS 47 5.166 -3.167 6.332 896 HE3 LYS 47 2HE LYS 47 4.376 -1.587 6.435 897 HZ1 LYS 47 3HZ LYS 47 4.696 -2.510 8.625 898 HZ2 LYS 47 1HZ LYS 47 3.849 -3.913 8.206 899 HZ3 LYS 47 2HZ LYS 47 3.042 -2.429 8.285 900 H ALA 48 H ALA 48 5.459 -2.590 1.047 901 HA ALA 48 HA ALA 48 5.692 -5.081 -0.177 902 HB1 ALA 48 3HB ALA 48 5.771 -3.880 -2.052 903 HB2 ALA 48 1HB ALA 48 5.637 -2.454 -1.022 904 HB3 ALA 48 2HB ALA 48 7.225 -3.025 -1.537 905 H GLU 49 H GLU 49 8.168 -2.973 1.191 906 HA GLU 49 HA GLU 49 10.419 -4.359 0.230 907 HE2 GLU 49 HE2 GLU 49 13.821 -1.555 -0.401 908 HB2 GLU 49 1HB GLU 49 10.377 -2.057 1.269 909 HB3 GLU 49 2HB GLU 49 10.251 -2.857 2.843 910 HG2 GLU 49 1HG GLU 49 12.451 -3.043 2.935 911 HG3 GLU 49 2HG GLU 49 12.417 -4.046 1.478 912 H GLU 50 H GLU 50 8.503 -4.731 3.180 913 HA GLU 50 HA GLU 50 10.177 -6.771 4.282 914 HE2 GLU 50 HE2 GLU 50 7.702 -5.573 9.207 915 HB2 GLU 50 1HB GLU 50 7.525 -5.572 4.954 916 HB3 GLU 50 2HB GLU 50 7.947 -7.136 5.667 917 HG2 GLU 50 1HG GLU 50 10.213 -5.756 6.173 918 HG3 GLU 50 2HG GLU 50 9.016 -4.455 6.222 919 H LEU 51 H LEU 51 7.117 -6.746 2.502 920 HA LEU 51 HA LEU 51 6.588 -9.500 2.651 921 HG LEU 51 HG LEU 51 4.444 -8.292 3.044 922 HB2 LEU 51 1HB LEU 51 5.670 -7.215 1.022 923 HB3 LEU 51 2HB LEU 51 5.479 -8.813 0.280 924 HD11 LEU 51 1HD1 LEU 51 3.177 -6.656 2.155 925 HD12 LEU 51 2HD1 LEU 51 2.231 -8.011 1.540 926 HD13 LEU 51 3HD1 LEU 51 3.416 -7.218 0.501 927 HD21 LEU 51 3HD2 LEU 51 4.500 -10.589 2.331 928 HD22 LEU 51 1HD2 LEU 51 3.694 -10.181 0.816 929 HD23 LEU 51 2HD2 LEU 51 2.826 -10.034 2.344 930 H PHE 52 H PHE 52 8.165 -7.599 0.086 931 HA PHE 52 HA PHE 52 8.722 -9.660 -1.679 932 HD1 PHE 52 HD2 PHE 52 9.748 -9.615 -3.824 933 HD2 PHE 52 HD1 PHE 52 12.425 -6.970 -1.834 934 HE1 PHE 52 HE2 PHE 52 11.539 -10.262 -5.381 935 HE2 PHE 52 HE1 PHE 52 14.221 -7.613 -3.389 936 HZ PHE 52 HZ PHE 52 13.779 -9.261 -5.165 937 HB2 PHE 52 1HB PHE 52 9.071 -7.377 -2.340 938 HB3 PHE 52 2HB PHE 52 10.278 -7.141 -1.073 939 H LYS 53 H LYS 53 10.321 -8.777 1.295 940 HA LYS 53 HA LYS 53 12.747 -10.105 0.997 941 HB2 LYS 53 1HB LYS 53 11.468 -8.717 3.017 942 HB3 LYS 53 2HB LYS 53 11.613 -10.354 3.678 943 HG2 LYS 53 1HG LYS 53 13.520 -9.061 4.359 944 HG3 LYS 53 2HG LYS 53 14.035 -10.300 3.200 945 HD2 LYS 53 1HD LYS 53 14.100 -8.671 1.406 946 HD3 LYS 53 2HD LYS 53 13.456 -7.424 2.488 947 HE2 LYS 53 1HE LYS 53 15.839 -7.112 2.281 948 HE3 LYS 53 2HE LYS 53 15.467 -7.680 3.916 949 HZ1 LYS 53 3HZ LYS 53 16.793 -9.408 3.612 950 HZ2 LYS 53 1HZ LYS 53 17.222 -8.812 2.088 951 HZ3 LYS 53 2HZ LYS 53 15.933 -9.897 2.239 952 H LEU 54 H LEU 54 9.833 -11.344 2.644 953 HA LEU 54 HA LEU 54 10.854 -14.020 2.707 954 HG LEU 54 HG LEU 54 8.633 -13.827 5.636 955 HB2 LEU 54 1HB LEU 54 8.320 -12.663 3.507 956 HB3 LEU 54 2HB LEU 54 8.315 -14.423 3.306 957 HD11 LEU 54 1HD1 LEU 54 10.304 -15.512 4.116 958 HD12 LEU 54 2HD1 LEU 54 9.900 -15.634 5.829 959 HD13 LEU 54 3HD1 LEU 54 11.323 -14.725 5.322 960 HD21 LEU 54 3HD2 LEU 54 10.226 -12.392 6.438 961 HD22 LEU 54 1HD2 LEU 54 9.866 -11.631 4.888 962 HD23 LEU 54 2HD2 LEU 54 11.303 -12.639 5.063 963 H ALA 55 H ALA 55 8.973 -12.150 0.500 964 HA ALA 55 HA ALA 55 7.538 -14.123 -0.844 965 HB1 ALA 55 3HB ALA 55 7.405 -11.604 -1.135 966 HB2 ALA 55 1HB ALA 55 8.789 -11.761 -2.218 967 HB3 ALA 55 2HB ALA 55 7.273 -12.578 -2.600 968 H GLU 56 H GLU 56 10.918 -13.229 -1.047 969 HA GLU 56 HA GLU 56 11.584 -14.492 -3.454 970 HE2 GLU 56 HE2 GLU 56 15.680 -10.674 -2.661 971 HB2 GLU 56 1HB GLU 56 13.427 -14.392 -1.071 972 HB3 GLU 56 2HB GLU 56 13.839 -14.299 -2.790 973 HG2 GLU 56 1HG GLU 56 12.156 -12.131 -2.393 974 HG3 GLU 56 2HG GLU 56 13.154 -12.189 -0.934 975 H GLU 57 H GLU 57 10.981 -15.772 -0.280 976 HA GLU 57 HA GLU 57 12.213 -18.313 -0.714 977 HE2 GLU 57 HE2 GLU 57 10.487 -18.541 4.643 978 HB2 GLU 57 1HB GLU 57 11.763 -17.288 1.535 979 HB3 GLU 57 2HB GLU 57 10.046 -17.630 1.276 980 HG2 GLU 57 1HG GLU 57 10.498 -20.013 1.158 981 HG3 GLU 57 2HG GLU 57 12.230 -19.699 1.342 982 H ARG 58 H ARG 58 8.861 -17.140 -0.818 983 HA ARG 58 HA ARG 58 7.846 -19.691 -1.681 984 HE ARG 58 HE ARG 58 4.729 -16.240 -0.590 985 HB2 ARG 58 1HB ARG 58 6.416 -17.032 -1.781 986 HB3 ARG 58 2HB ARG 58 5.699 -18.648 -1.714 987 HG2 ARG 58 1HG ARG 58 5.560 -18.461 0.488 988 HG3 ARG 58 2HG ARG 58 7.330 -18.440 0.555 989 HD2 ARG 58 1HD ARG 58 6.305 -16.497 1.701 990 HD3 ARG 58 2HD ARG 58 7.363 -16.038 0.360 991 HH11 ARG 58 1HH1 ARG 58 6.689 -14.245 1.483 992 HH12 ARG 58 2HH1 ARG 58 5.758 -12.810 1.200 993 HH21 ARG 58 1HH2 ARG 58 3.496 -14.358 -0.971 994 HH22 ARG 58 2HH2 ARG 58 3.943 -12.877 -0.195 995 H LEU 59 H LEU 59 9.359 -17.088 -3.198 996 HA LEU 59 HA LEU 59 8.153 -17.737 -5.800 997 HG LEU 59 HG LEU 59 7.372 -15.374 -4.180 998 HB2 LEU 59 1HB LEU 59 9.806 -15.353 -4.947 999 HB3 LEU 59 2HB LEU 59 9.170 -15.629 -6.579 1000 HD11 LEU 59 1HD1 LEU 59 7.026 -13.014 -5.052 1001 HD12 LEU 59 2HD1 LEU 59 8.543 -13.229 -5.926 1002 HD13 LEU 59 3HD1 LEU 59 8.519 -13.323 -4.164 1003 HD21 LEU 59 3HD2 LEU 59 5.858 -15.965 -5.700 1004 HD22 LEU 59 1HD2 LEU 59 7.027 -15.839 -7.015 1005 HD23 LEU 59 2HD2 LEU 59 6.150 -14.407 -6.476 1006 H LYS 60 H LYS 60 10.813 -18.413 -3.925 1007 HA LYS 60 HA LYS 60 12.264 -19.431 -6.239 1008 HB2 LYS 60 1HB LYS 60 13.821 -17.974 -4.124 1009 HB3 LYS 60 2HB LYS 60 14.299 -18.387 -5.779 1010 HG2 LYS 60 1HG LYS 60 12.942 -16.673 -6.707 1011 HG3 LYS 60 2HG LYS 60 12.150 -16.381 -5.148 1012 HD2 LYS 60 1HD LYS 60 13.675 -14.822 -4.701 1013 HD3 LYS 60 2HD LYS 60 14.910 -16.092 -4.689 1014 HE2 LYS 60 1HE LYS 60 14.531 -15.665 -7.384 1015 HE3 LYS 60 2HE LYS 60 14.346 -14.046 -6.697 1016 HZ1 LYS 60 3HZ LYS 60 16.629 -14.368 -7.209 1017 HZ2 LYS 60 1HZ LYS 60 16.680 -15.852 -6.399 1018 HZ3 LYS 60 2HZ LYS 60 16.491 -14.416 -5.524 1019 H LYS 61 H LYS 61 14.554 -20.279 -4.932 1020 HA LYS 61 HA LYS 61 13.456 -22.427 -3.290 1021 HB2 LYS 61 1HB LYS 61 14.935 -22.967 -5.203 1022 HB3 LYS 61 2HB LYS 61 16.245 -22.080 -4.408 1023 HG2 LYS 61 1HG LYS 61 16.760 -23.793 -3.077 1024 HG3 LYS 61 2HG LYS 61 15.059 -24.099 -2.686 1025 HD2 LYS 61 1HD LYS 61 14.741 -25.466 -4.575 1026 HD3 LYS 61 2HD LYS 61 16.227 -24.878 -5.342 1027 HE2 LYS 61 1HE LYS 61 17.431 -25.905 -3.286 1028 HE3 LYS 61 2HE LYS 61 15.917 -26.793 -3.058 1029 HZ1 LYS 61 3HZ LYS 61 16.606 -28.237 -4.567 1030 HZ2 LYS 61 1HZ LYS 61 18.009 -27.335 -4.857 1031 HZ3 LYS 61 2HZ LYS 61 16.603 -27.022 -5.744 1032 H LEU 62 H LEU 62 16.210 -20.163 -3.160 1033 HA LEU 62 HA LEU 62 17.429 -19.361 -1.409 1034 HG LEU 62 HG LEU 62 15.460 -17.402 -1.878 1035 HB2 LEU 62 1HB LEU 62 14.585 -19.266 -0.545 1036 HB3 LEU 62 2HB LEU 62 15.830 -18.961 0.680 1037 HD11 LEU 62 1HD1 LEU 62 13.672 -16.896 -0.388 1038 HD12 LEU 62 2HD1 LEU 62 14.835 -15.574 -0.293 1039 HD13 LEU 62 3HD1 LEU 62 14.771 -16.786 0.987 1040 HD21 LEU 62 3HD2 LEU 62 17.461 -17.239 0.352 1041 HD22 LEU 62 1HD2 LEU 62 17.067 -15.839 -0.644 1042 HD23 LEU 62 2HD2 LEU 62 17.743 -17.287 -1.389 1043 HC1 HLT 101 HC1 HLT 101 -1.123 1.677 -1.775 Start of MODEL 17 1 HA MET 1 HA MET 1 -17.038 20.461 0.498 2 H1 MET 1 1H MET 1 -16.895 17.820 1.194 3 HB2 MET 1 1HB MET 1 -16.214 20.072 3.359 4 HB3 MET 1 2HB MET 1 -15.542 21.411 2.416 5 HG2 MET 1 1HG MET 1 -17.516 22.547 2.325 6 HG3 MET 1 2HG MET 1 -18.483 21.071 2.393 7 HE1 MET 1 3HE MET 1 -20.014 21.351 5.540 8 HE2 MET 1 1HE MET 1 -20.030 22.871 4.645 9 HE3 MET 1 2HE MET 1 -20.081 21.336 3.778 10 H LYS 2 H LYS 2 -14.860 21.472 0.125 11 HA LYS 2 HA LYS 2 -12.586 19.685 0.219 12 HB2 LYS 2 1HB LYS 2 -12.196 19.523 -2.113 13 HB3 LYS 2 2HB LYS 2 -13.892 19.077 -1.863 14 HG2 LYS 2 1HG LYS 2 -13.965 21.824 -2.294 15 HG3 LYS 2 2HG LYS 2 -12.763 21.213 -3.444 16 HD2 LYS 2 1HD LYS 2 -14.525 20.748 -4.756 17 HD3 LYS 2 2HD LYS 2 -14.752 19.356 -3.682 18 HE2 LYS 2 1HE LYS 2 -16.860 20.486 -3.882 19 HE3 LYS 2 2HE LYS 2 -16.224 20.774 -2.256 20 HZ1 LYS 2 3HZ LYS 2 -17.170 22.758 -3.461 21 HZ2 LYS 2 1HZ LYS 2 -15.810 22.698 -4.467 22 HZ3 LYS 2 2HZ LYS 2 -15.623 22.959 -2.806 23 H LYS 3 H LYS 3 -10.924 20.960 -1.562 24 HA LYS 3 HA LYS 3 -10.957 23.753 -1.534 25 HB2 LYS 3 1HB LYS 3 -10.153 22.530 0.971 26 HB3 LYS 3 2HB LYS 3 -8.846 23.507 0.283 27 HG2 LYS 3 1HG LYS 3 -11.331 24.938 0.092 28 HG3 LYS 3 2HG LYS 3 -11.057 24.393 1.756 29 HD2 LYS 3 1HD LYS 3 -8.939 25.801 0.128 30 HD3 LYS 3 2HD LYS 3 -10.102 26.661 1.152 31 HE2 LYS 3 1HE LYS 3 -9.330 25.278 3.091 32 HE3 LYS 3 2HE LYS 3 -8.077 24.611 2.036 33 HZ1 LYS 3 3HZ LYS 3 -8.128 27.103 3.409 34 HZ2 LYS 3 1HZ LYS 3 -7.855 27.329 1.755 35 HZ3 LYS 3 2HZ LYS 3 -6.832 26.324 2.651 36 H LEU 4 H LEU 4 -8.682 21.062 -1.000 37 HA LEU 4 HA LEU 4 -7.541 21.112 -3.528 38 HG LEU 4 HG LEU 4 -5.039 23.746 -3.772 39 HB2 LEU 4 1HB LEU 4 -6.775 23.362 -2.109 40 HB3 LEU 4 2HB LEU 4 -5.418 22.244 -1.893 41 HD11 LEU 4 1HD1 LEU 4 -5.446 20.835 -4.376 42 HD12 LEU 4 2HD1 LEU 4 -3.946 21.691 -4.016 43 HD13 LEU 4 3HD1 LEU 4 -4.759 21.949 -5.559 44 HD21 LEU 4 3HD2 LEU 4 -6.510 23.234 -5.848 45 HD22 LEU 4 1HD2 LEU 4 -7.103 24.349 -4.618 46 HD23 LEU 4 2HD2 LEU 4 -7.692 22.687 -4.657 47 H ARG 5 H ARG 5 -7.124 20.556 -0.102 48 HA ARG 5 HA ARG 5 -4.984 18.704 -0.299 49 HE ARG 5 HE ARG 5 -3.557 21.501 2.983 50 HB2 ARG 5 1HB ARG 5 -7.080 18.799 1.877 51 HB3 ARG 5 2HB ARG 5 -5.422 18.190 1.996 52 HG2 ARG 5 1HG ARG 5 -4.701 20.594 1.422 53 HG3 ARG 5 2HG ARG 5 -6.367 21.025 1.843 54 HD2 ARG 5 1HD ARG 5 -6.031 20.726 4.052 55 HD3 ARG 5 2HD ARG 5 -5.050 19.278 3.790 56 HH11 ARG 5 1HH1 ARG 5 -4.871 20.100 5.886 57 HH12 ARG 5 2HH1 ARG 5 -3.637 20.750 6.914 58 HH21 ARG 5 1HH2 ARG 5 -1.927 22.362 4.325 59 HH22 ARG 5 2HH2 ARG 5 -1.964 22.038 6.026 60 H GLU 6 H GLU 6 -8.394 18.465 -0.794 61 HA GLU 6 HA GLU 6 -8.891 15.787 -0.290 62 HE2 GLU 6 HE2 GLU 6 -13.430 15.490 -2.840 63 HB2 GLU 6 1HB GLU 6 -10.121 17.922 -1.846 64 HB3 GLU 6 2HB GLU 6 -10.358 16.331 -2.586 65 HG2 GLU 6 1HG GLU 6 -10.993 15.691 -0.079 66 HG3 GLU 6 2HG GLU 6 -11.401 17.411 -0.038 67 H GLU 7 H GLU 7 -7.095 17.259 -2.865 68 HA GLU 7 HA GLU 7 -7.174 15.297 -4.822 69 HE2 GLU 7 HE2 GLU 7 -3.343 18.017 -7.471 70 HB2 GLU 7 1HB GLU 7 -5.248 17.412 -4.025 71 HB3 GLU 7 2HB GLU 7 -4.630 16.132 -5.081 72 HG2 GLU 7 1HG GLU 7 -6.647 16.609 -6.573 73 HG3 GLU 7 2HG GLU 7 -6.836 18.088 -5.621 74 H ALA 8 H ALA 8 -5.450 15.364 -1.787 75 HA ALA 8 HA ALA 8 -3.713 13.171 -2.376 76 HB1 ALA 8 3HB ALA 8 -2.714 14.093 -0.615 77 HB2 ALA 8 1HB ALA 8 -4.173 14.978 -0.168 78 HB3 ALA 8 2HB ALA 8 -3.941 13.320 0.389 79 H ALA 9 H ALA 9 -6.955 13.498 -1.177 80 HA ALA 9 HA ALA 9 -7.279 11.064 0.147 81 HB1 ALA 9 3HB ALA 9 -9.378 11.766 0.383 82 HB2 ALA 9 1HB ALA 9 -8.909 13.195 -0.539 83 HB3 ALA 9 2HB ALA 9 -9.635 11.813 -1.361 84 H LYS 10 H LYS 10 -7.884 11.858 -3.272 85 HA LYS 10 HA LYS 10 -8.737 9.351 -4.117 86 HB2 LYS 10 1HB LYS 10 -7.051 11.245 -5.761 87 HB3 LYS 10 2HB LYS 10 -8.236 10.068 -6.349 88 HG2 LYS 10 1HG LYS 10 -9.981 11.404 -5.054 89 HG3 LYS 10 2HG LYS 10 -8.737 12.660 -4.924 90 HD2 LYS 10 1HD LYS 10 -9.748 13.359 -6.849 91 HD3 LYS 10 2HD LYS 10 -8.555 12.242 -7.537 92 HE2 LYS 10 1HE LYS 10 -10.227 11.124 -8.499 93 HE3 LYS 10 2HE LYS 10 -10.770 10.659 -6.879 94 HZ1 LYS 10 3HZ LYS 10 -12.526 11.986 -7.041 95 HZ2 LYS 10 1HZ LYS 10 -12.154 12.186 -8.680 96 HZ3 LYS 10 2HZ LYS 10 -11.595 13.307 -7.544 97 H LEU 11 H LEU 11 -5.450 10.664 -3.926 98 HA LEU 11 HA LEU 11 -4.036 8.625 -5.126 99 HG LEU 11 HG LEU 11 -3.861 11.839 -4.015 100 HB2 LEU 11 1HB LEU 11 -3.112 10.030 -2.624 101 HB3 LEU 11 2HB LEU 11 -2.124 9.376 -3.941 102 HD11 LEU 11 1HD1 LEU 11 -0.943 11.298 -3.842 103 HD12 LEU 11 2HD1 LEU 11 -1.912 12.547 -3.059 104 HD13 LEU 11 3HD1 LEU 11 -1.487 12.699 -4.765 105 HD21 LEU 11 3HD2 LEU 11 -4.054 10.643 -6.128 106 HD22 LEU 11 1HD2 LEU 11 -2.297 10.541 -6.245 107 HD23 LEU 11 2HD2 LEU 11 -3.096 12.112 -6.324 108 H PHE 12 H PHE 12 -5.248 8.816 -1.814 109 HA PHE 12 HA PHE 12 -4.044 6.359 -0.985 110 HD1 PHE 12 HD1 PHE 12 -2.677 7.129 0.297 111 HD2 PHE 12 HD2 PHE 12 -5.748 9.776 1.595 112 HE1 PHE 12 HE1 PHE 12 -0.975 8.650 1.217 113 HE2 PHE 12 HE2 PHE 12 -4.051 11.301 2.516 114 HZ PHE 12 HZ PHE 12 -1.661 10.739 2.326 115 HB2 PHE 12 1HB PHE 12 -6.309 7.960 0.238 116 HB3 PHE 12 2HB PHE 12 -5.491 6.604 1.016 117 H GLU 13 H GLU 13 -7.013 7.255 -2.536 118 HA GLU 13 HA GLU 13 -8.665 5.119 -1.923 119 HE2 GLU 13 HE2 GLU 13 -12.327 8.501 -4.100 120 HB2 GLU 13 1HB GLU 13 -8.840 7.283 -3.566 121 HB3 GLU 13 2HB GLU 13 -8.724 5.967 -4.745 122 HG2 GLU 13 1HG GLU 13 -10.679 4.920 -3.941 123 HG3 GLU 13 2HG GLU 13 -10.698 5.925 -2.485 124 H GLU 14 H GLU 14 -5.863 5.238 -3.972 125 HA GLU 14 HA GLU 14 -6.385 2.814 -5.388 126 HE2 GLU 14 HE2 GLU 14 -3.502 4.187 -9.267 127 HB2 GLU 14 1HB GLU 14 -3.696 4.112 -4.920 128 HB3 GLU 14 2HB GLU 14 -4.150 3.015 -6.233 129 HG2 GLU 14 1HG GLU 14 -5.934 4.917 -6.718 130 HG3 GLU 14 2HG GLU 14 -4.721 5.903 -5.891 131 H TRP 15 H TRP 15 -4.765 3.647 -2.398 132 HA TRP 15 HA TRP 15 -3.405 1.212 -1.990 133 HD1 TRP 15 HD1 TRP 15 -2.926 -0.198 -0.218 134 HE1 TRP 15 HE1 TRP 15 -1.019 -0.708 1.433 135 HE3 TRP 15 HE3 TRP 15 -2.025 4.543 1.470 136 HZ2 TRP 15 HZ2 TRP 15 0.647 0.712 3.216 137 HZ3 TRP 15 HZ3 TRP 15 -0.258 4.881 3.148 138 HH2 TRP 15 HH2 TRP 15 1.049 3.004 4.002 139 HB2 TRP 15 1HB TRP 15 -3.203 3.510 -0.758 140 HB3 TRP 15 2HB TRP 15 -4.467 2.857 0.285 141 H LYS 16 H LYS 16 -6.595 2.343 -0.919 142 HA LYS 16 HA LYS 16 -7.218 -0.132 0.398 143 HB2 LYS 16 1HB LYS 16 -9.510 0.854 0.590 144 HB3 LYS 16 2HB LYS 16 -8.220 1.866 1.261 145 HG2 LYS 16 1HG LYS 16 -8.286 3.354 -0.590 146 HG3 LYS 16 2HG LYS 16 -9.342 2.259 -1.500 147 HD2 LYS 16 1HD LYS 16 -10.801 2.636 0.776 148 HD3 LYS 16 2HD LYS 16 -10.004 4.208 0.593 149 HE2 LYS 16 1HE LYS 16 -11.746 4.670 -0.768 150 HE3 LYS 16 2HE LYS 16 -10.798 3.760 -1.953 151 HZ1 LYS 16 3HZ LYS 16 -12.052 1.810 -1.526 152 HZ2 LYS 16 1HZ LYS 16 -13.167 3.065 -1.748 153 HZ3 LYS 16 2HZ LYS 16 -12.824 2.505 -0.189 154 H LYS 17 H LYS 17 -7.659 1.211 -2.776 155 HA LYS 17 HA LYS 17 -9.683 -0.633 -3.613 156 HB2 LYS 17 1HB LYS 17 -7.955 1.410 -4.953 157 HB3 LYS 17 2HB LYS 17 -8.787 0.203 -5.948 158 HG2 LYS 17 1HG LYS 17 -10.277 1.852 -3.926 159 HG3 LYS 17 2HG LYS 17 -9.941 2.454 -5.560 160 HD2 LYS 17 1HD LYS 17 -11.401 1.023 -6.551 161 HD3 LYS 17 2HD LYS 17 -11.086 -0.266 -5.375 162 HE2 LYS 17 1HE LYS 17 -12.344 1.175 -3.680 163 HE3 LYS 17 2HE LYS 17 -12.872 2.134 -5.072 164 HZ1 LYS 17 3HZ LYS 17 -14.069 0.358 -5.945 165 HZ2 LYS 17 1HZ LYS 17 -14.378 0.258 -4.284 166 HZ3 LYS 17 2HZ LYS 17 -13.263 -0.793 -5.001 167 H LEU 18 H LEU 18 -6.287 -0.258 -4.649 168 HA LEU 18 HA LEU 18 -6.090 -2.675 -6.011 169 HG LEU 18 HG LEU 18 -5.167 -0.589 -7.101 170 HB2 LEU 18 1HB LEU 18 -4.073 -0.908 -4.658 171 HB3 LEU 18 2HB LEU 18 -3.586 -2.434 -5.416 172 HD11 LEU 18 1HD1 LEU 18 -2.266 -0.018 -6.544 173 HD12 LEU 18 2HD1 LEU 18 -3.593 0.885 -5.813 174 HD13 LEU 18 3HD1 LEU 18 -3.377 0.897 -7.563 175 HD21 LEU 18 3HD2 LEU 18 -3.188 -2.726 -7.362 176 HD22 LEU 18 1HD2 LEU 18 -2.925 -1.368 -8.455 177 HD23 LEU 18 2HD2 LEU 18 -4.469 -2.219 -8.466 178 H ALA 19 H ALA 19 -6.050 -2.020 -2.620 179 HA ALA 19 HA ALA 19 -4.767 -4.433 -1.797 180 HB1 ALA 19 3HB ALA 19 -4.750 -2.557 -0.310 181 HB2 ALA 19 1HB ALA 19 -6.512 -2.486 -0.299 182 HB3 ALA 19 2HB ALA 19 -5.678 -3.851 0.446 183 H GLU 20 H GLU 20 -8.042 -3.520 -2.573 184 HA GLU 20 HA GLU 20 -9.294 -5.777 -1.351 185 HE2 GLU 20 HE2 GLU 20 -11.966 -6.012 0.709 186 HB2 GLU 20 1HB GLU 20 -10.424 -3.594 -1.895 187 HB3 GLU 20 2HB GLU 20 -10.374 -4.074 -3.599 188 HG2 GLU 20 1HG GLU 20 -12.496 -4.716 -3.012 189 HG3 GLU 20 2HG GLU 20 -11.587 -6.213 -2.761 190 H GLU 21 H GLU 21 -8.459 -4.956 -4.712 191 HA GLU 21 HA GLU 21 -9.389 -7.291 -5.915 192 HE2 GLU 21 HE2 GLU 21 -5.241 -3.937 -9.264 193 HB2 GLU 21 1HB GLU 21 -7.718 -6.781 -7.718 194 HB3 GLU 21 2HB GLU 21 -8.783 -5.433 -7.288 195 HG2 GLU 21 1HG GLU 21 -6.961 -4.543 -5.829 196 HG3 GLU 21 2HG GLU 21 -5.910 -5.807 -6.483 197 H ALA 22 H ALA 22 -6.175 -6.548 -4.603 198 HA ALA 22 HA ALA 22 -4.976 -9.009 -5.270 199 HB1 ALA 22 3HB ALA 22 -3.688 -8.117 -2.973 200 HB2 ALA 22 1HB ALA 22 -3.240 -7.770 -4.643 201 HB3 ALA 22 2HB ALA 22 -4.275 -6.650 -3.756 202 H ALA 23 H ALA 23 -6.934 -7.992 -2.551 203 HA ALA 23 HA ALA 23 -6.367 -10.227 -0.882 204 HB1 ALA 23 3HB ALA 23 -8.906 -9.262 -0.205 205 HB2 ALA 23 1HB ALA 23 -7.365 -8.860 0.553 206 HB3 ALA 23 2HB ALA 23 -7.991 -7.860 -0.758 207 H LYS 24 H LYS 24 -9.066 -9.445 -3.063 208 HA LYS 24 HA LYS 24 -10.478 -11.860 -2.620 209 HB2 LYS 24 1HB LYS 24 -11.747 -11.253 -4.645 210 HB3 LYS 24 2HB LYS 24 -11.595 -9.896 -3.517 211 HG2 LYS 24 1HG LYS 24 -9.821 -8.926 -4.872 212 HG3 LYS 24 2HG LYS 24 -9.918 -10.300 -5.987 213 HD2 LYS 24 1HD LYS 24 -12.448 -8.845 -5.446 214 HD3 LYS 24 2HD LYS 24 -11.218 -7.992 -6.396 215 HE2 LYS 24 1HE LYS 24 -11.679 -9.201 -8.214 216 HE3 LYS 24 2HE LYS 24 -11.474 -10.707 -7.309 217 HZ1 LYS 24 3HZ LYS 24 -13.862 -9.504 -8.201 218 HZ2 LYS 24 1HZ LYS 24 -13.902 -9.625 -6.513 219 HZ3 LYS 24 2HZ LYS 24 -13.648 -11.007 -7.455 220 H LEU 25 H LEU 25 -8.005 -10.894 -4.927 221 HA LEU 25 HA LEU 25 -8.208 -13.283 -6.500 222 HG LEU 25 HG LEU 25 -8.298 -10.949 -8.070 223 HB2 LEU 25 1HB LEU 25 -6.491 -10.868 -6.437 224 HB3 LEU 25 2HB LEU 25 -5.782 -12.331 -7.142 225 HD11 LEU 25 1HD1 LEU 25 -7.081 -10.188 -9.912 226 HD12 LEU 25 2HD1 LEU 25 -5.735 -11.283 -9.592 227 HD13 LEU 25 3HD1 LEU 25 -6.014 -9.897 -8.537 228 HD21 LEU 25 3HD2 LEU 25 -7.221 -12.876 -9.896 229 HD22 LEU 25 1HD2 LEU 25 -8.834 -12.787 -9.189 230 HD23 LEU 25 2HD2 LEU 25 -7.545 -13.642 -8.340 231 H LEU 26 H LEU 26 -6.168 -12.153 -3.860 232 HA LEU 26 HA LEU 26 -4.162 -14.035 -3.867 233 HG LEU 26 HG LEU 26 -3.256 -11.838 -3.038 234 HB2 LEU 26 1HB LEU 26 -5.473 -12.352 -1.835 235 HB3 LEU 26 2HB LEU 26 -4.632 -13.779 -1.205 236 HD11 LEU 26 1HD1 LEU 26 -2.377 -10.712 -1.055 237 HD12 LEU 26 2HD1 LEU 26 -3.430 -11.688 -0.031 238 HD13 LEU 26 3HD1 LEU 26 -4.129 -10.539 -1.172 239 HD21 LEU 26 3HD2 LEU 26 -1.754 -13.494 -2.868 240 HD22 LEU 26 1HD2 LEU 26 -2.535 -14.193 -1.449 241 HD23 LEU 26 2HD2 LEU 26 -1.438 -12.824 -1.267 242 H GLU 27 H GLU 27 -7.341 -14.298 -2.288 243 HA GLU 27 HA GLU 27 -6.847 -17.123 -1.750 244 HE2 GLU 27 HE2 GLU 27 -8.711 -14.337 3.247 245 HB2 GLU 27 1HB GLU 27 -9.337 -15.569 -1.056 246 HB3 GLU 27 2HB GLU 27 -8.736 -17.062 -0.318 247 HG2 GLU 27 1HG GLU 27 -6.857 -15.861 0.656 248 HG3 GLU 27 2HG GLU 27 -7.414 -14.365 -0.109 249 H GLY 28 H GLY 28 -7.583 -15.670 -4.424 250 HA2 GLY 28 1HA GLY 28 -10.089 -16.588 -5.276 251 HA3 GLY 28 2HA GLY 28 -8.731 -16.226 -6.331 252 H GLY 29 H GLY 29 -7.281 -18.370 -4.563 253 HA2 GLY 29 1HA GLY 29 -7.954 -20.846 -4.511 254 HA3 GLY 29 2HA GLY 29 -8.185 -20.620 -6.238 255 H GLY 30 H GLY 30 -5.619 -19.375 -4.122 256 HA2 GLY 30 1HA GLY 30 -3.684 -20.792 -5.847 257 HA3 GLY 30 2HA GLY 30 -3.369 -19.246 -5.073 258 H GLY 31 H GLY 31 -3.056 -19.190 -2.778 259 HA2 GLY 31 1HA GLY 31 -3.113 -21.196 -0.953 260 HA3 GLY 31 2HA GLY 31 -1.631 -21.517 -1.839 261 H GLY 32 H GLY 32 -1.451 -21.034 0.818 262 HA2 GLY 32 1HA GLY 32 0.168 -18.638 0.847 263 HA3 GLY 32 2HA GLY 32 -1.250 -18.559 1.882 264 H GLY 33 H GLY 33 1.222 -18.298 2.998 265 HA2 GLY 33 1HA GLY 33 1.706 -20.926 4.257 266 HA3 GLY 33 2HA GLY 33 2.920 -19.666 4.096 267 H GLY 34 H GLY 34 0.883 -21.138 6.225 268 HA2 GLY 34 1HA GLY 34 0.239 -20.656 8.375 269 HA3 GLY 34 2HA GLY 34 1.469 -19.401 8.349 270 H GLY 35 H GLY 35 0.640 -17.520 8.958 271 HA2 GLY 35 1HA GLY 35 -1.781 -16.554 7.645 272 HA3 GLY 35 2HA GLY 35 -1.838 -16.692 9.396 273 H GLU 36 H GLU 36 0.166 -15.642 10.490 274 HA GLU 36 HA GLU 36 0.036 -12.905 10.123 275 HE2 GLU 36 HE2 GLU 36 3.264 -13.262 14.650 276 HB2 GLU 36 1HB GLU 36 0.860 -13.837 12.183 277 HB3 GLU 36 2HB GLU 36 2.235 -14.575 11.347 278 HG2 GLU 36 1HG GLU 36 3.297 -12.514 11.004 279 HG3 GLU 36 2HG GLU 36 1.823 -11.608 11.374 280 H LEU 37 H LEU 37 2.189 -15.251 8.648 281 HA LEU 37 HA LEU 37 4.127 -13.576 7.585 282 HG LEU 37 HG LEU 37 4.654 -14.535 4.989 283 HB2 LEU 37 1HB LEU 37 4.246 -16.023 7.533 284 HB3 LEU 37 2HB LEU 37 2.929 -16.052 6.348 285 HD11 LEU 37 1HD1 LEU 37 6.540 -14.385 6.234 286 HD12 LEU 37 2HD1 LEU 37 6.889 -15.916 5.431 287 HD13 LEU 37 3HD1 LEU 37 6.245 -15.909 7.073 288 HD21 LEU 37 3HD2 LEU 37 5.246 -17.445 4.955 289 HD22 LEU 37 1HD2 LEU 37 4.911 -16.340 3.622 290 HD23 LEU 37 2HD2 LEU 37 3.589 -16.933 4.628 291 H MET 38 H MET 38 1.194 -14.754 5.922 292 HA MET 38 HA MET 38 1.513 -12.975 3.723 293 HB2 MET 38 1HB MET 38 0.327 -15.053 3.418 294 HB3 MET 38 2HB MET 38 -0.856 -14.601 4.656 295 HG2 MET 38 1HG MET 38 -1.980 -13.162 3.286 296 HG3 MET 38 2HG MET 38 -0.544 -12.800 2.325 297 HE1 MET 38 3HE MET 38 0.715 -14.585 1.217 298 HE2 MET 38 1HE MET 38 0.089 -16.120 0.617 299 HE3 MET 38 2HE MET 38 -0.162 -14.644 -0.312 300 H LYS 39 H LYS 39 -0.036 -12.762 6.822 301 HA LYS 39 HA LYS 39 -1.904 -10.756 6.391 302 HB2 LYS 39 1HB LYS 39 -1.136 -12.146 8.549 303 HB3 LYS 39 2HB LYS 39 -0.300 -10.622 8.890 304 HG2 LYS 39 1HG LYS 39 -2.439 -9.413 8.685 305 HG3 LYS 39 2HG LYS 39 -3.256 -10.964 8.424 306 HD2 LYS 39 1HD LYS 39 -1.885 -11.500 10.708 307 HD3 LYS 39 2HD LYS 39 -2.215 -9.770 10.905 308 HE2 LYS 39 1HE LYS 39 -4.631 -10.748 9.998 309 HE3 LYS 39 2HE LYS 39 -4.032 -12.050 11.037 310 HZ1 LYS 39 3HZ LYS 39 -3.620 -10.254 12.746 311 HZ2 LYS 39 1HZ LYS 39 -5.240 -10.630 12.432 312 HZ3 LYS 39 2HZ LYS 39 -4.554 -9.232 11.774 313 H LEU 40 H LEU 40 1.565 -10.577 6.558 314 HA LEU 40 HA LEU 40 1.968 -7.897 7.140 315 HG LEU 40 HG LEU 40 3.901 -9.548 8.097 316 HB2 LEU 40 1HB LEU 40 3.458 -10.008 5.706 317 HB3 LEU 40 2HB LEU 40 3.923 -8.341 5.332 318 HD11 LEU 40 1HD1 LEU 40 6.429 -9.231 7.778 319 HD12 LEU 40 2HD1 LEU 40 6.064 -9.200 6.054 320 HD13 LEU 40 3HD1 LEU 40 5.659 -10.621 7.015 321 HD21 LEU 40 3HD2 LEU 40 5.491 -7.163 7.637 322 HD22 LEU 40 1HD2 LEU 40 4.319 -7.514 8.907 323 HD23 LEU 40 2HD2 LEU 40 3.772 -6.893 7.349 324 H CYS 41 H CYS 41 1.238 -9.430 4.034 325 HA CYS 41 HA CYS 41 1.390 -6.988 2.551 326 HG CYS 41 HG CYS 41 2.724 -10.015 2.717 327 HB2 CYS 41 1HB CYS 41 -0.043 -9.511 1.729 328 HB3 CYS 41 2HB CYS 41 0.646 -8.267 0.674 329 H GLU 42 H GLU 42 -1.222 -8.921 3.943 330 HA GLU 42 HA GLU 42 -3.405 -7.585 2.866 331 HE2 GLU 42 HE2 GLU 42 -5.343 -11.469 2.294 332 HB2 GLU 42 1HB GLU 42 -3.119 -9.666 4.551 333 HB3 GLU 42 2HB GLU 42 -3.615 -8.417 5.703 334 HG2 GLU 42 1HG GLU 42 -5.727 -8.737 5.139 335 HG3 GLU 42 2HG GLU 42 -5.345 -8.212 3.492 336 H GLU 43 H GLU 43 -1.167 -6.576 5.297 337 HA GLU 43 HA GLU 43 -2.638 -4.707 6.721 338 HE2 GLU 43 HE2 GLU 43 -1.257 -4.716 10.742 339 HB2 GLU 43 1HB GLU 43 0.267 -4.667 5.880 340 HB3 GLU 43 2HB GLU 43 -0.439 -3.521 7.030 341 HG2 GLU 43 1HG GLU 43 -1.011 -6.293 7.718 342 HG3 GLU 43 2HG GLU 43 0.721 -5.936 7.646 343 H ALA 44 H ALA 44 -1.516 -4.608 3.455 344 HA ALA 44 HA ALA 44 -1.356 -1.911 2.908 345 HB1 ALA 44 3HB ALA 44 -1.437 -2.474 0.698 346 HB2 ALA 44 1HB ALA 44 -1.097 -4.059 1.394 347 HB3 ALA 44 2HB ALA 44 -2.744 -3.635 0.926 348 H ALA 45 H ALA 45 -4.254 -3.953 3.014 349 HA ALA 45 HA ALA 45 -6.032 -1.818 2.319 350 HB1 ALA 45 3HB ALA 45 -6.218 -4.660 2.772 351 HB2 ALA 45 1HB ALA 45 -7.535 -3.802 3.574 352 HB3 ALA 45 2HB ALA 45 -7.275 -3.597 1.842 353 H LYS 46 H LYS 46 -4.605 -2.970 5.238 354 HA LYS 46 HA LYS 46 -6.563 -1.866 7.021 355 HB2 LYS 46 1HB LYS 46 -4.217 -3.502 7.217 356 HB3 LYS 46 2HB LYS 46 -4.071 -2.144 8.346 357 HG2 LYS 46 1HG LYS 46 -6.069 -2.733 9.478 358 HG3 LYS 46 2HG LYS 46 -6.508 -3.898 8.217 359 HD2 LYS 46 1HD LYS 46 -4.645 -5.328 8.811 360 HD3 LYS 46 2HD LYS 46 -4.076 -4.132 9.989 361 HE2 LYS 46 1HE LYS 46 -5.260 -5.937 11.122 362 HE3 LYS 46 2HE LYS 46 -6.146 -4.412 11.275 363 HZ1 LYS 46 3HZ LYS 46 -7.352 -6.619 10.593 364 HZ2 LYS 46 1HZ LYS 46 -6.830 -6.182 9.045 365 HZ3 LYS 46 2HZ LYS 46 -7.818 -5.133 9.931 366 H LYS 47 H LYS 47 -3.278 -0.917 6.034 367 HA LYS 47 HA LYS 47 -3.301 1.526 7.491 368 HB2 LYS 47 1HB LYS 47 -1.588 0.624 5.162 369 HB3 LYS 47 2HB LYS 47 -1.289 2.072 6.135 370 HG2 LYS 47 1HG LYS 47 -1.547 -0.493 7.600 371 HG3 LYS 47 2HG LYS 47 -0.095 -0.258 6.610 372 HD2 LYS 47 1HD LYS 47 0.786 1.207 8.056 373 HD3 LYS 47 2HD LYS 47 -0.742 2.094 8.191 374 HE2 LYS 47 1HE LYS 47 -0.296 1.274 10.364 375 HE3 LYS 47 2HE LYS 47 -1.550 0.221 9.692 376 HZ1 LYS 47 3HZ LYS 47 -0.184 -1.408 10.351 377 HZ2 LYS 47 1HZ LYS 47 1.174 -0.401 10.428 378 HZ3 LYS 47 2HZ LYS 47 0.690 -1.054 8.945 379 H ALA 48 H ALA 48 -4.416 0.570 4.348 380 HA ALA 48 HA ALA 48 -4.511 3.138 3.151 381 HB1 ALA 48 3HB ALA 48 -5.901 2.123 1.469 382 HB2 ALA 48 1HB ALA 48 -4.603 1.008 1.892 383 HB3 ALA 48 2HB ALA 48 -6.231 0.744 2.517 384 H GLU 49 H GLU 49 -7.008 1.167 4.755 385 HA GLU 49 HA GLU 49 -8.964 3.263 4.603 386 HE2 GLU 49 HE2 GLU 49 -12.764 -0.881 5.743 387 HB2 GLU 49 1HB GLU 49 -9.158 0.585 4.845 388 HB3 GLU 49 2HB GLU 49 -9.335 1.056 6.543 389 HG2 GLU 49 1HG GLU 49 -11.298 2.233 6.161 390 HG3 GLU 49 2HG GLU 49 -10.975 2.383 4.427 391 H GLU 50 H GLU 50 -6.571 2.218 6.896 392 HA GLU 50 HA GLU 50 -7.635 3.468 9.199 393 HE2 GLU 50 HE2 GLU 50 -2.704 2.491 12.431 394 HB2 GLU 50 1HB GLU 50 -5.960 1.774 9.460 395 HB3 GLU 50 2HB GLU 50 -4.817 2.681 8.457 396 HG2 GLU 50 1HG GLU 50 -4.546 4.363 10.125 397 HG3 GLU 50 2HG GLU 50 -5.870 3.689 11.085 398 H LEU 51 H LEU 51 -5.127 4.515 6.897 399 HA LEU 51 HA LEU 51 -4.853 7.098 8.085 400 HG LEU 51 HG LEU 51 -4.830 5.683 4.676 401 HB2 LEU 51 1HB LEU 51 -3.301 7.571 6.397 402 HB3 LEU 51 2HB LEU 51 -3.125 5.836 6.718 403 HD11 LEU 51 1HD1 LEU 51 -3.316 7.753 3.381 404 HD12 LEU 51 2HD1 LEU 51 -4.243 8.416 4.726 405 HD13 LEU 51 3HD1 LEU 51 -5.062 7.515 3.450 406 HD21 LEU 51 3HD2 LEU 51 -2.269 5.006 5.084 407 HD22 LEU 51 1HD2 LEU 51 -2.053 6.230 3.834 408 HD23 LEU 51 2HD2 LEU 51 -3.079 4.829 3.527 409 H PHE 52 H PHE 52 -6.690 5.771 5.397 410 HA PHE 52 HA PHE 52 -7.518 8.209 4.258 411 HD1 PHE 52 HD2 PHE 52 -8.688 8.236 1.778 412 HD2 PHE 52 HD1 PHE 52 -11.078 5.662 4.182 413 HE1 PHE 52 HE2 PHE 52 -10.711 9.070 0.653 414 HE2 PHE 52 HE1 PHE 52 -13.105 6.491 3.061 415 HZ PHE 52 HZ PHE 52 -12.924 8.198 1.295 416 HB2 PHE 52 1HB PHE 52 -7.748 6.190 2.987 417 HB3 PHE 52 2HB PHE 52 -8.760 5.457 4.233 418 H LYS 53 H LYS 53 -8.533 6.498 7.078 419 HA LYS 53 HA LYS 53 -11.135 7.567 7.346 420 HB2 LYS 53 1HB LYS 53 -9.621 5.713 8.700 421 HB3 LYS 53 2HB LYS 53 -9.712 7.050 9.857 422 HG2 LYS 53 1HG LYS 53 -11.604 5.999 10.488 423 HG3 LYS 53 2HG LYS 53 -12.288 6.924 9.140 424 HD2 LYS 53 1HD LYS 53 -12.266 5.076 7.691 425 HD3 LYS 53 2HD LYS 53 -11.135 4.183 8.723 426 HE2 LYS 53 1HE LYS 53 -12.935 3.124 9.536 427 HE3 LYS 53 2HE LYS 53 -13.264 4.631 10.404 428 HZ1 LYS 53 3HZ LYS 53 -15.223 4.419 9.327 429 HZ2 LYS 53 1HZ LYS 53 -14.571 3.532 8.042 430 HZ3 LYS 53 2HZ LYS 53 -14.384 5.213 8.089 431 H LEU 54 H LEU 54 -8.131 8.474 9.048 432 HA LEU 54 HA LEU 54 -9.278 10.898 10.051 433 HG LEU 54 HG LEU 54 -6.716 9.893 12.520 434 HB2 LEU 54 1HB LEU 54 -6.559 9.642 10.097 435 HB3 LEU 54 2HB LEU 54 -6.758 11.339 10.567 436 HD11 LEU 54 1HD1 LEU 54 -8.103 11.332 13.476 437 HD12 LEU 54 2HD1 LEU 54 -9.491 10.479 12.801 438 HD13 LEU 54 3HD1 LEU 54 -8.721 11.774 11.884 439 HD21 LEU 54 3HD2 LEU 54 -7.669 7.903 11.282 440 HD22 LEU 54 1HD2 LEU 54 -9.258 8.631 11.525 441 HD23 LEU 54 2HD2 LEU 54 -8.279 8.168 12.917 442 H ALA 55 H ALA 55 -7.557 9.982 7.201 443 HA ALA 55 HA ALA 55 -6.387 12.379 6.424 444 HB1 ALA 55 3HB ALA 55 -7.600 10.177 4.768 445 HB2 ALA 55 1HB ALA 55 -6.683 11.520 4.086 446 HB3 ALA 55 2HB ALA 55 -5.905 10.395 5.201 447 H GLU 56 H GLU 56 -9.724 11.464 6.524 448 HA GLU 56 HA GLU 56 -10.648 13.489 4.712 449 HE2 GLU 56 HE2 GLU 56 -14.201 8.696 4.734 450 HB2 GLU 56 1HB GLU 56 -12.379 12.188 6.794 451 HB3 GLU 56 2HB GLU 56 -12.806 12.718 5.160 452 HG2 GLU 56 1HG GLU 56 -11.108 10.865 4.426 453 HG3 GLU 56 2HG GLU 56 -11.436 10.226 6.043 454 H GLU 57 H GLU 57 -10.008 13.270 8.123 455 HA GLU 57 HA GLU 57 -11.540 15.478 8.985 456 HE2 GLU 57 HE2 GLU 57 -7.994 16.794 13.439 457 HB2 GLU 57 1HB GLU 57 -10.595 13.746 10.490 458 HB3 GLU 57 2HB GLU 57 -8.982 14.405 10.184 459 HG2 GLU 57 1HG GLU 57 -10.417 16.624 10.969 460 HG3 GLU 57 2HG GLU 57 -11.060 15.330 11.989 461 H ARG 58 H ARG 58 -8.172 15.189 7.919 462 HA ARG 58 HA ARG 58 -7.642 17.991 8.284 463 HE ARG 58 HE ARG 58 -5.533 13.842 10.309 464 HB2 ARG 58 1HB ARG 58 -5.997 16.062 6.647 465 HB3 ARG 58 2HB ARG 58 -5.460 17.532 7.474 466 HG2 ARG 58 1HG ARG 58 -4.997 16.413 9.333 467 HG3 ARG 58 2HG ARG 58 -6.616 15.695 9.358 468 HD2 ARG 58 1HD ARG 58 -5.787 14.063 7.596 469 HD3 ARG 58 2HD ARG 58 -4.164 14.677 7.943 470 HH11 ARG 58 1HH1 ARG 58 -3.696 12.722 7.572 471 HH12 ARG 58 2HH1 ARG 58 -3.127 11.295 8.372 472 HH21 ARG 58 1HH2 ARG 58 -4.790 11.966 11.373 473 HH22 ARG 58 2HH2 ARG 58 -3.751 10.865 10.534 474 H LEU 59 H LEU 59 -8.703 15.925 5.687 475 HA LEU 59 HA LEU 59 -8.211 17.839 3.603 476 HG LEU 59 HG LEU 59 -7.843 16.250 1.505 477 HB2 LEU 59 1HB LEU 59 -9.411 15.141 3.827 478 HB3 LEU 59 2HB LEU 59 -9.988 16.156 2.495 479 HD11 LEU 59 1HD1 LEU 59 -6.211 16.574 3.037 480 HD12 LEU 59 2HD1 LEU 59 -6.006 14.835 2.833 481 HD13 LEU 59 3HD1 LEU 59 -6.927 15.459 4.201 482 HD21 LEU 59 3HD2 LEU 59 -9.207 14.013 1.541 483 HD22 LEU 59 1HD2 LEU 59 -7.821 13.428 2.462 484 HD23 LEU 59 2HD2 LEU 59 -7.592 14.070 0.835 485 H LYS 60 H LYS 60 -11.255 16.432 4.825 486 HA LYS 60 HA LYS 60 -12.561 19.011 4.242 487 HB2 LYS 60 1HB LYS 60 -14.651 17.311 4.336 488 HB3 LYS 60 2HB LYS 60 -13.770 17.693 2.848 489 HG2 LYS 60 1HG LYS 60 -12.812 15.421 4.523 490 HG3 LYS 60 2HG LYS 60 -14.268 15.210 3.536 491 HD2 LYS 60 1HD LYS 60 -12.196 16.514 2.004 492 HD3 LYS 60 2HD LYS 60 -11.603 14.996 2.702 493 HE2 LYS 60 1HE LYS 60 -14.098 15.338 1.021 494 HE3 LYS 60 2HE LYS 60 -12.571 14.607 0.504 495 HZ1 LYS 60 3HZ LYS 60 -14.726 13.439 1.964 496 HZ2 LYS 60 1HZ LYS 60 -13.252 13.233 2.768 497 HZ3 LYS 60 2HZ LYS 60 -13.431 12.689 1.178 498 H LYS 61 H LYS 61 -13.673 16.191 6.077 499 HA LYS 61 HA LYS 61 -13.229 17.144 8.650 500 HB2 LYS 61 1HB LYS 61 -15.638 17.820 9.188 501 HB3 LYS 61 2HB LYS 61 -14.638 18.995 8.320 502 HG2 LYS 61 1HG LYS 61 -15.739 18.614 6.281 503 HG3 LYS 61 2HG LYS 61 -16.481 17.120 6.877 504 HD2 LYS 61 1HD LYS 61 -17.070 19.768 8.179 505 HD3 LYS 61 2HD LYS 61 -17.939 19.243 6.725 506 HE2 LYS 61 1HE LYS 61 -18.147 17.002 8.227 507 HE3 LYS 61 2HE LYS 61 -18.095 18.235 9.495 508 HZ1 LYS 61 3HZ LYS 61 -20.153 18.883 9.020 509 HZ2 LYS 61 1HZ LYS 61 -20.295 17.493 8.068 510 HZ3 LYS 61 2HZ LYS 61 -19.849 18.962 7.358 511 H LEU 62 H LEU 62 -15.400 15.410 6.500 512 HA LEU 62 HA LEU 62 -16.327 13.336 6.618 513 HG LEU 62 HG LEU 62 -14.686 11.335 6.311 514 HB2 LEU 62 1HB LEU 62 -13.869 13.065 7.753 515 HB3 LEU 62 2HB LEU 62 -14.924 12.524 9.070 516 HD11 LEU 62 1HD1 LEU 62 -14.268 9.292 7.881 517 HD12 LEU 62 2HD1 LEU 62 -13.853 10.535 9.061 518 HD13 LEU 62 3HD1 LEU 62 -12.967 10.433 7.540 519 HD21 LEU 62 3HD2 LEU 62 -16.302 9.634 7.607 520 HD22 LEU 62 1HD2 LEU 62 -16.896 10.938 6.578 521 HD23 LEU 62 2HD2 LEU 62 -16.837 11.152 8.328 522 HA MET 1 HA MET 1 14.082 -19.197 -12.078 523 H1 MET 1 1H MET 1 14.508 -16.859 -10.723 524 HB2 MET 1 1HB MET 1 14.564 -19.639 -9.150 525 HB3 MET 1 2HB MET 1 13.415 -20.667 -10.020 526 HG2 MET 1 1HG MET 1 15.031 -21.707 -11.246 527 HG3 MET 1 2HG MET 1 16.097 -20.300 -11.221 528 HE1 MET 1 3HE MET 1 18.756 -21.445 -9.237 529 HE2 MET 1 1HE MET 1 18.224 -22.656 -10.404 530 HE3 MET 1 2HE MET 1 18.084 -20.940 -10.788 531 H LYS 2 H LYS 2 11.852 -20.093 -11.764 532 HA LYS 2 HA LYS 2 10.012 -18.458 -10.241 533 HB2 LYS 2 1HB LYS 2 8.723 -17.638 -12.053 534 HB3 LYS 2 2HB LYS 2 10.409 -17.249 -12.432 535 HG2 LYS 2 1HG LYS 2 10.014 -19.754 -13.576 536 HG3 LYS 2 2HG LYS 2 8.516 -18.862 -13.899 537 HD2 LYS 2 1HD LYS 2 9.623 -17.998 -15.651 538 HD3 LYS 2 2HD LYS 2 10.419 -16.976 -14.442 539 HE2 LYS 2 1HE LYS 2 12.126 -17.960 -15.814 540 HE3 LYS 2 2HE LYS 2 12.185 -18.720 -14.217 541 HZ1 LYS 2 3HZ LYS 2 12.332 -20.247 -16.203 542 HZ2 LYS 2 1HZ LYS 2 10.693 -19.925 -16.472 543 HZ3 LYS 2 2HZ LYS 2 11.186 -20.662 -15.031 544 H LYS 3 H LYS 3 7.647 -19.201 -11.433 545 HA LYS 3 HA LYS 3 7.403 -21.882 -12.173 546 HB2 LYS 3 1HB LYS 3 7.820 -21.448 -9.337 547 HB3 LYS 3 2HB LYS 3 6.250 -22.208 -9.644 548 HG2 LYS 3 1HG LYS 3 8.272 -23.480 -11.241 549 HG3 LYS 3 2HG LYS 3 8.761 -23.443 -9.537 550 HD2 LYS 3 1HD LYS 3 6.028 -24.360 -10.436 551 HD3 LYS 3 2HD LYS 3 7.409 -25.457 -10.264 552 HE2 LYS 3 1HE LYS 3 7.640 -24.700 -7.888 553 HE3 LYS 3 2HE LYS 3 6.143 -23.780 -8.102 554 HZ1 LYS 3 3HZ LYS 3 6.486 -26.559 -7.594 555 HZ2 LYS 3 1HZ LYS 3 5.545 -26.308 -8.978 556 HZ3 LYS 3 2HZ LYS 3 5.082 -25.619 -7.504 557 H LEU 4 H LEU 4 5.829 -19.505 -10.035 558 HA LEU 4 HA LEU 4 3.760 -18.850 -11.764 559 HG LEU 4 HG LEU 4 1.120 -21.354 -11.640 560 HB2 LEU 4 1HB LEU 4 3.413 -21.429 -10.821 561 HB3 LEU 4 2HB LEU 4 2.382 -20.450 -9.763 562 HD11 LEU 4 1HD1 LEU 4 1.543 -18.384 -11.547 563 HD12 LEU 4 2HD1 LEU 4 0.240 -19.338 -10.837 564 HD13 LEU 4 3HD1 LEU 4 0.324 -19.125 -12.586 565 HD21 LEU 4 3HD2 LEU 4 1.665 -20.232 -13.916 566 HD22 LEU 4 1HD2 LEU 4 2.587 -21.645 -13.401 567 HD23 LEU 4 2HD2 LEU 4 3.278 -20.031 -13.230 568 H ARG 5 H ARG 5 4.836 -19.309 -8.470 569 HA ARG 5 HA ARG 5 3.000 -17.536 -7.236 570 HE ARG 5 HE ARG 5 2.804 -21.185 -4.540 571 HB2 ARG 5 1HB ARG 5 5.790 -18.182 -6.271 572 HB3 ARG 5 2HB ARG 5 4.399 -17.679 -5.301 573 HG2 ARG 5 1HG ARG 5 3.278 -19.841 -6.134 574 HG3 ARG 5 2HG ARG 5 4.919 -20.327 -6.594 575 HD2 ARG 5 1HD ARG 5 5.561 -20.674 -4.460 576 HD3 ARG 5 2HD ARG 5 4.703 -19.239 -3.882 577 HH11 ARG 5 1HH1 ARG 5 5.333 -20.624 -2.214 578 HH12 ARG 5 2HH1 ARG 5 4.581 -21.572 -0.974 579 HH21 ARG 5 1HH2 ARG 5 1.805 -22.437 -2.916 580 HH22 ARG 5 2HH2 ARG 5 2.576 -22.604 -1.375 581 H GLU 6 H GLU 6 5.922 -17.073 -9.029 582 HA GLU 6 HA GLU 6 6.819 -14.626 -8.091 583 HE2 GLU 6 HE2 GLU 6 9.958 -13.522 -12.109 584 HB2 GLU 6 1HB GLU 6 7.107 -16.204 -10.526 585 HB3 GLU 6 2HB GLU 6 7.176 -14.463 -10.837 586 HG2 GLU 6 1HG GLU 6 8.828 -14.543 -8.752 587 HG3 GLU 6 2HG GLU 6 9.047 -16.197 -9.338 588 H GLU 7 H GLU 7 4.019 -15.377 -10.004 589 HA GLU 7 HA GLU 7 3.474 -12.936 -11.202 590 HE2 GLU 7 HE2 GLU 7 -1.304 -14.925 -12.712 591 HB2 GLU 7 1HB GLU 7 1.859 -15.262 -10.313 592 HB3 GLU 7 2HB GLU 7 0.979 -13.759 -10.628 593 HG2 GLU 7 1HG GLU 7 2.190 -13.711 -12.877 594 HG3 GLU 7 2HG GLU 7 2.616 -15.393 -12.533 595 H ALA 8 H ALA 8 3.099 -13.931 -7.877 596 HA ALA 8 HA ALA 8 1.455 -11.735 -7.080 597 HB1 ALA 8 3HB ALA 8 1.184 -13.154 -5.389 598 HB2 ALA 8 1HB ALA 8 2.623 -14.069 -5.841 599 HB3 ALA 8 2HB ALA 8 2.769 -12.648 -4.808 600 H ALA 9 H ALA 9 4.871 -12.251 -7.440 601 HA ALA 9 HA ALA 9 5.884 -10.268 -5.758 602 HB1 ALA 9 3HB ALA 9 7.840 -10.931 -6.587 603 HB2 ALA 9 1HB ALA 9 6.934 -12.059 -7.595 604 HB3 ALA 9 2HB ALA 9 7.381 -10.473 -8.227 605 H LYS 10 H LYS 10 5.000 -10.061 -9.201 606 HA LYS 10 HA LYS 10 5.642 -7.386 -9.612 607 HB2 LYS 10 1HB LYS 10 3.296 -8.814 -10.877 608 HB3 LYS 10 2HB LYS 10 4.238 -7.476 -11.553 609 HG2 LYS 10 1HG LYS 10 6.242 -9.052 -11.485 610 HG3 LYS 10 2HG LYS 10 5.057 -10.340 -11.208 611 HD2 LYS 10 1HD LYS 10 5.158 -10.437 -13.486 612 HD3 LYS 10 2HD LYS 10 3.888 -9.213 -13.307 613 HE2 LYS 10 1HE LYS 10 5.130 -7.815 -14.521 614 HE3 LYS 10 2HE LYS 10 6.303 -7.804 -13.198 615 HZ1 LYS 10 3HZ LYS 10 7.737 -8.970 -14.403 616 HZ2 LYS 10 1HZ LYS 10 6.732 -8.719 -15.741 617 HZ3 LYS 10 2HZ LYS 10 6.579 -10.131 -14.822 618 H LEU 11 H LEU 11 2.621 -8.832 -8.453 619 HA LEU 11 HA LEU 11 0.999 -6.603 -8.386 620 HG LEU 11 HG LEU 11 1.043 -9.997 -8.198 621 HB2 LEU 11 1HB LEU 11 1.068 -8.672 -6.194 622 HB3 LEU 11 2HB LEU 11 -0.317 -7.722 -6.761 623 HD11 LEU 11 1HD1 LEU 11 -1.493 -9.654 -6.687 624 HD12 LEU 11 2HD1 LEU 11 -0.388 -11.026 -6.747 625 HD13 LEU 11 3HD1 LEU 11 -1.489 -10.722 -8.091 626 HD21 LEU 11 3HD2 LEU 11 0.439 -8.262 -9.798 627 HD22 LEU 11 1HD2 LEU 11 -1.196 -8.209 -9.140 628 HD23 LEU 11 2HD2 LEU 11 -0.623 -9.662 -9.960 629 H PHE 12 H PHE 12 3.430 -7.631 -6.039 630 HA PHE 12 HA PHE 12 2.853 -5.541 -4.177 631 HD1 PHE 12 HD1 PHE 12 2.122 -6.638 -2.604 632 HD2 PHE 12 HD2 PHE 12 5.140 -9.474 -3.583 633 HE1 PHE 12 HE1 PHE 12 0.826 -8.400 -1.477 634 HE2 PHE 12 HE2 PHE 12 3.849 -11.241 -2.460 635 HZ PHE 12 HZ PHE 12 1.689 -10.706 -1.405 636 HB2 PHE 12 1HB PHE 12 5.284 -7.327 -4.461 637 HB3 PHE 12 2HB PHE 12 4.975 -6.253 -3.095 638 H GLU 13 H GLU 13 4.867 -5.863 -6.982 639 HA GLU 13 HA GLU 13 6.758 -3.876 -6.543 640 HE2 GLU 13 HE2 GLU 13 9.116 -6.449 -10.716 641 HB2 GLU 13 1HB GLU 13 6.172 -5.562 -8.600 642 HB3 GLU 13 2HB GLU 13 5.680 -4.003 -9.282 643 HG2 GLU 13 1HG GLU 13 7.844 -3.095 -9.072 644 HG3 GLU 13 2HG GLU 13 8.372 -4.421 -8.026 645 H GLU 14 H GLU 14 3.381 -3.626 -7.305 646 HA GLU 14 HA GLU 14 3.446 -0.901 -8.168 647 HE2 GLU 14 HE2 GLU 14 -0.767 -1.371 -10.865 648 HB2 GLU 14 1HB GLU 14 1.078 -2.430 -7.069 649 HB3 GLU 14 2HB GLU 14 1.044 -1.000 -8.112 650 HG2 GLU 14 1HG GLU 14 2.421 -2.590 -9.727 651 HG3 GLU 14 2HG GLU 14 1.574 -3.833 -8.797 652 H TRP 15 H TRP 15 2.979 -2.542 -5.102 653 HA TRP 15 HA TRP 15 2.020 -0.348 -3.621 654 HD1 TRP 15 HD1 TRP 15 2.186 0.555 -1.600 655 HE1 TRP 15 HE1 TRP 15 1.359 0.598 0.838 656 HE3 TRP 15 HE3 TRP 15 2.297 -4.460 -0.616 657 HZ2 TRP 15 HZ2 TRP 15 0.826 -1.250 2.904 658 HZ3 TRP 15 HZ3 TRP 15 1.614 -5.240 1.616 659 HH2 TRP 15 HH2 TRP 15 0.895 -3.666 3.338 660 HB2 TRP 15 1HB TRP 15 2.073 -2.846 -2.985 661 HB3 TRP 15 2HB TRP 15 3.730 -2.542 -2.464 662 H LYS 16 H LYS 16 5.306 -1.570 -4.160 663 HA LYS 16 HA LYS 16 6.517 0.495 -2.572 664 HB2 LYS 16 1HB LYS 16 8.654 -0.398 -3.522 665 HB3 LYS 16 2HB LYS 16 7.654 -1.610 -2.706 666 HG2 LYS 16 1HG LYS 16 6.937 -2.551 -4.766 667 HG3 LYS 16 2HG LYS 16 7.634 -1.206 -5.685 668 HD2 LYS 16 1HD LYS 16 9.817 -2.101 -4.310 669 HD3 LYS 16 2HD LYS 16 8.922 -3.605 -4.587 670 HE2 LYS 16 1HE LYS 16 9.999 -3.606 -6.571 671 HE3 LYS 16 2HE LYS 16 8.726 -2.464 -7.030 672 HZ1 LYS 16 3HZ LYS 16 10.156 -0.637 -6.611 673 HZ2 LYS 16 1HZ LYS 16 11.032 -1.732 -7.557 674 HZ3 LYS 16 2HZ LYS 16 11.333 -1.619 -5.896 675 H LYS 17 H LYS 17 5.678 0.049 -5.917 676 HA LYS 17 HA LYS 17 7.337 2.144 -6.938 677 HB2 LYS 17 1HB LYS 17 5.122 0.443 -8.009 678 HB3 LYS 17 2HB LYS 17 5.566 1.915 -8.887 679 HG2 LYS 17 1HG LYS 17 7.636 -0.117 -8.108 680 HG3 LYS 17 2HG LYS 17 6.667 -0.287 -9.584 681 HD2 LYS 17 1HD LYS 17 7.704 1.435 -10.642 682 HD3 LYS 17 2HD LYS 17 7.924 2.354 -9.142 683 HE2 LYS 17 1HE LYS 17 9.665 0.589 -8.501 684 HE3 LYS 17 2HE LYS 17 9.578 0.073 -10.192 685 HZ1 LYS 17 3HZ LYS 17 10.429 2.090 -10.936 686 HZ2 LYS 17 1HZ LYS 17 11.354 1.761 -9.559 687 HZ3 LYS 17 2HZ LYS 17 10.100 2.893 -9.485 688 H LEU 18 H LEU 18 3.783 1.907 -6.677 689 HA LEU 18 HA LEU 18 3.238 4.588 -7.178 690 HG LEU 18 HG LEU 18 1.834 2.824 -8.346 691 HB2 LEU 18 1HB LEU 18 1.774 2.426 -5.698 692 HB3 LEU 18 2HB LEU 18 1.134 4.078 -5.754 693 HD11 LEU 18 1HD1 LEU 18 -0.709 2.091 -6.917 694 HD12 LEU 18 2HD1 LEU 18 0.701 1.033 -6.996 695 HD13 LEU 18 3HD1 LEU 18 -0.131 1.506 -8.478 696 HD21 LEU 18 3HD2 LEU 18 0.109 4.928 -7.276 697 HD22 LEU 18 1HD2 LEU 18 -0.660 3.926 -8.507 698 HD23 LEU 18 2HD2 LEU 18 0.849 4.764 -8.869 699 H ALA 19 H ALA 19 4.435 3.054 -4.324 700 HA ALA 19 HA ALA 19 3.701 5.102 -2.476 701 HB1 ALA 19 3HB ALA 19 4.123 2.902 -1.638 702 HB2 ALA 19 1HB ALA 19 5.752 2.901 -2.315 703 HB3 ALA 19 2HB ALA 19 5.352 3.983 -0.981 704 H GLU 20 H GLU 20 6.381 4.575 -4.641 705 HA GLU 20 HA GLU 20 8.139 6.475 -3.433 706 HE2 GLU 20 HE2 GLU 20 11.395 6.271 -2.549 707 HB2 GLU 20 1HB GLU 20 8.845 4.569 -4.917 708 HB3 GLU 20 2HB GLU 20 8.190 5.483 -6.284 709 HG2 GLU 20 1HG GLU 20 10.413 6.037 -6.396 710 HG3 GLU 20 2HG GLU 20 9.758 7.372 -5.436 711 H GLU 21 H GLU 21 6.057 6.546 -6.319 712 HA GLU 21 HA GLU 21 6.611 9.152 -7.129 713 HE2 GLU 21 HE2 GLU 21 1.290 6.649 -9.382 714 HB2 GLU 21 1HB GLU 21 4.349 9.076 -8.217 715 HB3 GLU 21 2HB GLU 21 5.407 7.709 -8.600 716 HG2 GLU 21 1HG GLU 21 4.227 6.381 -6.847 717 HG3 GLU 21 2HG GLU 21 3.090 7.728 -6.684 718 H ALA 22 H ALA 22 4.086 7.962 -4.933 719 HA ALA 22 HA ALA 22 2.896 10.464 -4.424 720 HB1 ALA 22 3HB ALA 22 2.513 8.939 -2.129 721 HB2 ALA 22 1HB ALA 22 1.444 9.039 -3.528 722 HB3 ALA 22 2HB ALA 22 2.656 7.762 -3.434 723 H ALA 23 H ALA 23 5.659 8.830 -3.024 724 HA ALA 23 HA ALA 23 5.917 10.514 -0.743 725 HB1 ALA 23 3HB ALA 23 8.452 9.495 -1.367 726 HB2 ALA 23 1HB ALA 23 7.290 8.857 -0.204 727 HB3 ALA 23 2HB ALA 23 7.295 8.260 -1.864 728 H LYS 24 H LYS 24 7.542 10.442 -3.906 729 HA LYS 24 HA LYS 24 9.180 12.699 -3.423 730 HB2 LYS 24 1HB LYS 24 9.551 12.704 -5.860 731 HB3 LYS 24 2HB LYS 24 9.735 11.088 -5.158 732 HG2 LYS 24 1HG LYS 24 7.516 10.460 -5.938 733 HG3 LYS 24 2HG LYS 24 7.288 12.086 -6.604 734 HD2 LYS 24 1HD LYS 24 9.723 10.623 -7.468 735 HD3 LYS 24 2HD LYS 24 8.166 10.023 -8.068 736 HE2 LYS 24 1HE LYS 24 8.003 11.695 -9.537 737 HE3 LYS 24 2HE LYS 24 8.266 12.892 -8.259 738 HZ1 LYS 24 3HZ LYS 24 10.049 12.053 -10.275 739 HZ2 LYS 24 1HZ LYS 24 10.726 11.708 -8.763 740 HZ3 LYS 24 2HZ LYS 24 10.245 13.287 -9.134 741 H LEU 25 H LEU 25 5.959 12.300 -4.775 742 HA LEU 25 HA LEU 25 5.722 15.028 -5.625 743 HG LEU 25 HG LEU 25 5.048 13.205 -7.660 744 HB2 LEU 25 1HB LEU 25 3.989 12.626 -5.544 745 HB3 LEU 25 2HB LEU 25 3.172 14.198 -5.515 746 HD11 LEU 25 1HD1 LEU 25 3.175 12.921 -9.026 747 HD12 LEU 25 2HD1 LEU 25 2.132 13.845 -7.945 748 HD13 LEU 25 3HD1 LEU 25 2.687 12.239 -7.474 749 HD21 LEU 25 3HD2 LEU 25 3.500 15.511 -8.366 750 HD22 LEU 25 1HD2 LEU 25 5.251 15.295 -8.376 751 HD23 LEU 25 2HD2 LEU 25 4.440 15.843 -6.909 752 H LEU 26 H LEU 26 4.745 13.159 -2.803 753 HA LEU 26 HA LEU 26 3.028 14.909 -1.552 754 HG LEU 26 HG LEU 26 2.337 12.541 -1.050 755 HB2 LEU 26 1HB LEU 26 4.873 12.780 -0.691 756 HB3 LEU 26 2HB LEU 26 4.439 13.954 0.564 757 HD11 LEU 26 1HD1 LEU 26 2.179 10.893 0.749 758 HD12 LEU 26 2HD1 LEU 26 3.610 11.586 1.510 759 HD13 LEU 26 3HD1 LEU 26 3.740 10.812 -0.069 760 HD21 LEU 26 3HD2 LEU 26 1.133 14.039 0.105 761 HD22 LEU 26 1HD2 LEU 26 2.438 14.353 1.249 762 HD23 LEU 26 2HD2 LEU 26 1.391 12.951 1.470 763 H GLU 27 H GLU 27 6.578 14.843 -1.316 764 HA GLU 27 HA GLU 27 6.539 17.388 0.112 765 HE2 GLU 27 HE2 GLU 27 9.978 13.395 3.022 766 HB2 GLU 27 1HB GLU 27 8.981 15.798 -0.672 767 HB3 GLU 27 2HB GLU 27 8.827 17.006 0.613 768 HG2 GLU 27 1HG GLU 27 7.390 15.515 1.889 769 HG3 GLU 27 2HG GLU 27 7.485 14.312 0.596 770 H GLY 28 H GLY 28 6.077 16.762 -2.922 771 HA2 GLY 28 1HA GLY 28 8.120 17.976 -4.403 772 HA3 GLY 28 2HA GLY 28 6.438 17.870 -4.899 773 H GLY 29 H GLY 29 5.947 19.381 -2.196 774 HA2 GLY 29 1HA GLY 29 6.778 21.772 -1.756 775 HA3 GLY 29 2HA GLY 29 6.283 22.038 -3.421 776 H GLY 30 H GLY 30 4.694 20.163 -0.856 777 HA2 GLY 30 1HA GLY 30 2.340 21.910 -1.213 778 HA3 GLY 30 2HA GLY 30 2.250 20.203 -0.807 779 H GLY 31 H GLY 31 2.956 19.531 1.316 780 HA2 GLY 31 1HA GLY 31 3.847 21.029 3.402 781 HA3 GLY 31 2HA GLY 31 2.136 21.426 3.327 782 H GLY 32 H GLY 32 3.181 20.264 5.582 783 HA2 GLY 32 1HA GLY 32 1.596 17.855 5.716 784 HA3 GLY 32 2HA GLY 32 3.321 17.577 5.899 785 H GLY 33 H GLY 33 1.661 16.870 7.931 786 HA2 GLY 33 1HA GLY 33 2.015 19.022 9.922 787 HA3 GLY 33 2HA GLY 33 0.784 17.771 10.023 788 H GLY 34 H GLY 34 3.677 18.751 11.248 789 HA2 GLY 34 1HA GLY 34 5.220 17.755 12.625 790 HA3 GLY 34 2HA GLY 34 4.044 16.465 12.833 791 H GLY 35 H GLY 35 4.931 14.555 12.436 792 HA2 GLY 35 1HA GLY 35 6.404 14.177 9.942 793 HA3 GLY 35 2HA GLY 35 7.265 13.815 11.431 794 H GLU 36 H GLU 36 5.920 12.353 12.968 795 HA GLU 36 HA GLU 36 5.674 9.851 11.816 796 HE2 GLU 36 HE2 GLU 36 4.921 8.664 17.207 797 HB2 GLU 36 1HB GLU 36 5.957 10.095 14.194 798 HB3 GLU 36 2HB GLU 36 4.406 10.939 14.332 799 HG2 GLU 36 1HG GLU 36 3.163 8.991 13.943 800 HG3 GLU 36 2HG GLU 36 4.574 8.125 13.316 801 H LEU 37 H LEU 37 3.261 12.363 12.221 802 HA LEU 37 HA LEU 37 0.936 10.928 11.744 803 HG LEU 37 HG LEU 37 -0.646 12.549 10.062 804 HB2 LEU 37 1HB LEU 37 0.980 13.274 12.447 805 HB3 LEU 37 2HB LEU 37 1.608 13.729 10.854 806 HD11 LEU 37 1HD1 LEU 37 -1.760 11.907 11.929 807 HD12 LEU 37 2HD1 LEU 37 -2.334 13.572 11.849 808 HD13 LEU 37 3HD1 LEU 37 -1.015 13.146 12.938 809 HD21 LEU 37 3HD2 LEU 37 -0.995 15.292 11.143 810 HD22 LEU 37 1HD2 LEU 37 -1.369 14.647 9.545 811 HD23 LEU 37 2HD2 LEU 37 0.299 15.025 9.974 812 H MET 38 H MET 38 2.886 12.702 9.339 813 HA MET 38 HA MET 38 1.460 11.649 7.118 814 HB2 MET 38 1HB MET 38 2.605 13.764 6.920 815 HB3 MET 38 2HB MET 38 4.156 12.999 7.300 816 HG2 MET 38 1HG MET 38 4.395 12.084 5.221 817 HG3 MET 38 2HG MET 38 2.653 11.983 4.957 818 HE1 MET 38 3HE MET 38 1.240 13.981 5.112 819 HE2 MET 38 1HE MET 38 1.703 15.647 4.759 820 HE3 MET 38 2HE MET 38 1.350 14.532 3.438 821 H LYS 39 H LYS 39 4.167 10.556 8.989 822 HA LYS 39 HA LYS 39 5.452 8.852 7.222 823 HB2 LYS 39 1HB LYS 39 5.819 9.469 9.802 824 HB3 LYS 39 2HB LYS 39 5.049 7.887 10.005 825 HG2 LYS 39 1HG LYS 39 6.760 6.879 8.540 826 HG3 LYS 39 2HG LYS 39 7.551 8.461 8.431 827 HD2 LYS 39 1HD LYS 39 7.333 8.202 11.125 828 HD3 LYS 39 2HD LYS 39 7.525 6.509 10.635 829 HE2 LYS 39 1HE LYS 39 9.429 7.803 9.111 830 HE3 LYS 39 2HE LYS 39 9.467 8.688 10.643 831 HZ1 LYS 39 3HZ LYS 39 9.618 6.430 11.736 832 HZ2 LYS 39 1HZ LYS 39 10.986 6.941 10.881 833 HZ3 LYS 39 2HZ LYS 39 9.940 5.801 10.198 834 H LEU 40 H LEU 40 2.377 8.503 8.804 835 HA LEU 40 HA LEU 40 1.982 5.763 8.685 836 HG LEU 40 HG LEU 40 0.804 6.960 10.816 837 HB2 LEU 40 1HB LEU 40 0.256 8.160 8.721 838 HB3 LEU 40 2HB LEU 40 -0.493 6.676 8.106 839 HD11 LEU 40 1HD1 LEU 40 -1.646 6.670 11.530 840 HD12 LEU 40 2HD1 LEU 40 -2.037 7.193 9.892 841 HD13 LEU 40 3HD1 LEU 40 -1.122 8.256 10.963 842 HD21 LEU 40 3HD2 LEU 40 -1.073 4.784 10.398 843 HD22 LEU 40 1HD2 LEU 40 0.553 4.761 11.081 844 HD23 LEU 40 2HD2 LEU 40 0.330 4.678 9.333 845 H CYS 41 H CYS 41 1.538 8.202 6.165 846 HA CYS 41 HA CYS 41 0.492 6.366 4.243 847 HG CYS 41 HG CYS 41 -0.197 9.199 5.843 848 HB2 CYS 41 1HB CYS 41 1.815 9.009 3.649 849 HB3 CYS 41 2HB CYS 41 0.577 8.176 2.696 850 H GLU 42 H GLU 42 3.674 7.821 4.815 851 HA GLU 42 HA GLU 42 5.013 6.814 2.597 852 HE2 GLU 42 HE2 GLU 42 6.968 10.706 2.153 853 HB2 GLU 42 1HB GLU 42 5.724 8.380 4.667 854 HB3 GLU 42 2HB GLU 42 6.511 6.871 5.153 855 HG2 GLU 42 1HG GLU 42 8.202 7.320 3.804 856 HG3 GLU 42 2HG GLU 42 7.094 7.247 2.425 857 H GLU 43 H GLU 43 3.914 5.206 5.448 858 HA GLU 43 HA GLU 43 5.617 3.027 5.608 859 HE2 GLU 43 HE2 GLU 43 6.048 1.977 9.703 860 HB2 GLU 43 1HB GLU 43 2.642 3.209 6.118 861 HB3 GLU 43 2HB GLU 43 3.627 1.801 6.544 862 HG2 GLU 43 1HG GLU 43 4.744 4.296 7.552 863 HG3 GLU 43 2HG GLU 43 3.112 3.969 8.154 864 H ALA 44 H ALA 44 3.220 3.780 3.233 865 HA ALA 44 HA ALA 44 2.557 1.317 2.187 866 HB1 ALA 44 3HB ALA 44 1.749 2.440 0.372 867 HB2 ALA 44 1HB ALA 44 1.918 3.788 1.498 868 HB3 ALA 44 2HB ALA 44 3.150 3.506 0.267 869 H ALA 45 H ALA 45 5.415 3.298 1.465 870 HA ALA 45 HA ALA 45 6.495 1.409 -0.398 871 HB1 ALA 45 3HB ALA 45 7.139 4.060 0.537 872 HB2 ALA 45 1HB ALA 45 8.580 3.046 0.464 873 HB3 ALA 45 2HB ALA 45 7.578 3.261 -0.973 874 H LYS 46 H LYS 46 6.591 1.809 3.025 875 HA LYS 46 HA LYS 46 9.009 0.338 3.470 876 HB2 LYS 46 1HB LYS 46 7.130 1.831 5.035 877 HB3 LYS 46 2HB LYS 46 7.358 0.239 5.776 878 HG2 LYS 46 1HG LYS 46 9.693 0.570 6.022 879 HG3 LYS 46 2HG LYS 46 9.653 2.016 4.998 880 HD2 LYS 46 1HD LYS 46 8.361 3.223 6.653 881 HD3 LYS 46 2HD LYS 46 8.243 1.765 7.654 882 HE2 LYS 46 1HE LYS 46 9.955 3.259 8.536 883 HE3 LYS 46 2HE LYS 46 10.679 1.761 7.935 884 HZ1 LYS 46 3HZ LYS 46 11.673 4.089 7.320 885 HZ2 LYS 46 1HZ LYS 46 10.503 4.036 6.099 886 HZ3 LYS 46 2HZ LYS 46 11.676 2.821 6.202 887 H LYS 47 H LYS 47 5.549 -0.409 3.866 888 HA LYS 47 HA LYS 47 5.959 -3.120 4.578 889 HB2 LYS 47 1HB LYS 47 3.528 -1.726 3.430 890 HB3 LYS 47 2HB LYS 47 3.531 -3.368 4.094 891 HG2 LYS 47 1HG LYS 47 4.578 -1.217 5.846 892 HG3 LYS 47 2HG LYS 47 2.835 -1.231 5.523 893 HD2 LYS 47 1HD LYS 47 2.494 -3.007 6.840 894 HD3 LYS 47 2HD LYS 47 3.863 -3.882 6.131 895 HE2 LYS 47 1HE LYS 47 4.407 -3.605 8.415 896 HE3 LYS 47 2HE LYS 47 5.367 -2.405 7.535 897 HZ1 LYS 47 3HZ LYS 47 4.530 -0.999 9.042 898 HZ2 LYS 47 1HZ LYS 47 3.240 -2.013 9.450 899 HZ3 LYS 47 2HZ LYS 47 3.136 -1.020 8.084 900 H ALA 48 H ALA 48 5.725 -1.449 1.539 901 HA ALA 48 HA ALA 48 5.146 -3.697 -0.095 902 HB1 ALA 48 3HB ALA 48 5.724 -2.290 -1.956 903 HB2 ALA 48 1HB ALA 48 4.809 -1.340 -0.785 904 HB3 ALA 48 2HB ALA 48 6.560 -1.157 -0.893 905 H GLU 49 H GLU 49 8.191 -2.017 0.676 906 HA GLU 49 HA GLU 49 9.782 -3.931 -0.754 907 HE2 GLU 49 HE2 GLU 49 13.927 0.024 -0.427 908 HB2 GLU 49 1HB GLU 49 10.205 -1.370 -0.023 909 HB3 GLU 49 2HB GLU 49 11.058 -2.203 1.287 910 HG2 GLU 49 1HG GLU 49 12.609 -3.171 -0.145 911 HG3 GLU 49 2HG GLU 49 11.575 -2.938 -1.563 912 H GLU 50 H GLU 50 8.645 -3.544 2.507 913 HA GLU 50 HA GLU 50 10.513 -5.231 3.797 914 HE2 GLU 50 HE2 GLU 50 7.464 -5.251 8.939 915 HB2 GLU 50 1HB GLU 50 9.201 -3.724 5.117 916 HB3 GLU 50 2HB GLU 50 7.692 -4.429 4.515 917 HG2 GLU 50 1HG GLU 50 8.055 -6.458 5.711 918 HG3 GLU 50 2HG GLU 50 9.697 -5.962 6.149 919 H LEU 51 H LEU 51 7.214 -5.851 2.609 920 HA LEU 51 HA LEU 51 7.335 -8.646 3.182 921 HG LEU 51 HG LEU 51 5.931 -6.521 0.512 922 HB2 LEU 51 1HB LEU 51 5.186 -8.799 2.277 923 HB3 LEU 51 2HB LEU 51 5.262 -7.184 3.003 924 HD11 LEU 51 1HD1 LEU 51 3.900 -8.324 -0.421 925 HD12 LEU 51 2HD1 LEU 51 5.270 -9.225 0.227 926 HD13 LEU 51 3HD1 LEU 51 5.522 -8.038 -1.052 927 HD21 LEU 51 3HD2 LEU 51 3.837 -6.055 2.112 928 HD22 LEU 51 1HD2 LEU 51 3.034 -7.000 0.858 929 HD23 LEU 51 2HD2 LEU 51 3.900 -5.524 0.431 930 H PHE 52 H PHE 52 7.939 -6.651 0.357 931 HA PHE 52 HA PHE 52 8.039 -8.687 -1.574 932 HD1 PHE 52 HD2 PHE 52 8.089 -8.030 -4.242 933 HD2 PHE 52 HD1 PHE 52 11.475 -6.138 -2.490 934 HE1 PHE 52 HE2 PHE 52 9.396 -8.497 -6.273 935 HE2 PHE 52 HE1 PHE 52 12.788 -6.601 -4.519 936 HZ PHE 52 HZ PHE 52 11.749 -7.783 -6.413 937 HB2 PHE 52 1HB PHE 52 7.912 -6.401 -2.284 938 HB3 PHE 52 2HB PHE 52 9.404 -5.997 -1.434 939 H LYS 53 H LYS 53 10.258 -7.751 0.898 940 HA LYS 53 HA LYS 53 12.647 -8.769 -0.199 941 HB2 LYS 53 1HB LYS 53 11.951 -7.425 2.095 942 HB3 LYS 53 2HB LYS 53 12.383 -9.028 2.711 943 HG2 LYS 53 1HG LYS 53 14.450 -8.136 2.783 944 HG3 LYS 53 2HG LYS 53 14.465 -8.615 1.076 945 HD2 LYS 53 1HD LYS 53 14.027 -6.435 0.326 946 HD3 LYS 53 2HD LYS 53 13.471 -5.911 1.926 947 HE2 LYS 53 1HE LYS 53 15.526 -5.060 2.202 948 HE3 LYS 53 2HE LYS 53 16.046 -6.737 2.419 949 HZ1 LYS 53 3HZ LYS 53 17.431 -6.164 0.748 950 HZ2 LYS 53 1HZ LYS 53 16.403 -4.970 0.130 951 HZ3 LYS 53 2HZ LYS 53 16.110 -6.600 -0.214 952 H LEU 54 H LEU 54 10.511 -10.230 2.261 953 HA LEU 54 HA LEU 54 11.763 -12.792 2.011 954 HG LEU 54 HG LEU 54 10.504 -12.611 5.483 955 HB2 LEU 54 1HB LEU 54 9.407 -11.702 3.504 956 HB3 LEU 54 2HB LEU 54 9.636 -13.454 3.372 957 HD11 LEU 54 1HD1 LEU 54 12.014 -14.226 5.364 958 HD12 LEU 54 2HD1 LEU 54 13.094 -13.180 4.443 959 HD13 LEU 54 3HD1 LEU 54 11.909 -14.181 3.603 960 HD21 LEU 54 3HD2 LEU 54 11.061 -10.330 4.544 961 HD22 LEU 54 1HD2 LEU 54 12.538 -11.053 3.908 962 HD23 LEU 54 2HD2 LEU 54 12.248 -11.027 5.647 963 H ALA 55 H ALA 55 9.134 -11.177 0.470 964 HA ALA 55 HA ALA 55 7.552 -13.302 -0.375 965 HB1 ALA 55 3HB ALA 55 8.177 -10.681 -1.720 966 HB2 ALA 55 1HB ALA 55 6.954 -11.812 -2.301 967 HB3 ALA 55 2HB ALA 55 6.786 -11.073 -0.708 968 H GLU 56 H GLU 56 10.714 -12.340 -1.395 969 HA GLU 56 HA GLU 56 10.658 -13.747 -3.899 970 HE2 GLU 56 HE2 GLU 56 14.257 -9.007 -4.126 971 HB2 GLU 56 1HB GLU 56 13.183 -12.996 -2.456 972 HB3 GLU 56 2HB GLU 56 12.861 -13.039 -4.196 973 HG2 GLU 56 1HG GLU 56 11.155 -11.128 -3.618 974 HG3 GLU 56 2HG GLU 56 12.194 -10.939 -2.198 975 H GLU 57 H GLU 57 11.476 -14.490 -0.603 976 HA GLU 57 HA GLU 57 13.052 -16.786 -1.064 977 HE2 GLU 57 HE2 GLU 57 11.531 -19.405 3.932 978 HB2 GLU 57 1HB GLU 57 12.943 -15.568 1.095 979 HB3 GLU 57 2HB GLU 57 11.297 -16.180 1.320 980 HG2 GLU 57 1HG GLU 57 12.749 -18.471 0.828 981 HG3 GLU 57 2HG GLU 57 13.849 -17.480 1.796 982 H ARG 58 H ARG 58 9.577 -16.359 -0.503 983 HA ARG 58 HA ARG 58 9.026 -19.171 -0.711 984 HE ARG 58 HE ARG 58 5.091 -14.672 -0.605 985 HB2 ARG 58 1HB ARG 58 6.637 -18.438 -0.701 986 HB3 ARG 58 2HB ARG 58 7.582 -17.849 0.676 987 HG2 ARG 58 1HG ARG 58 7.870 -15.821 -1.164 988 HG3 ARG 58 2HG ARG 58 6.202 -16.365 -1.410 989 HD2 ARG 58 1HD ARG 58 6.217 -16.309 1.268 990 HD3 ARG 58 2HD ARG 58 7.455 -15.085 0.952 991 HH11 ARG 58 1HH1 ARG 58 6.536 -14.179 2.525 992 HH12 ARG 58 2HH1 ARG 58 5.549 -12.807 2.908 993 HH21 ARG 58 1HH2 ARG 58 3.787 -12.868 -0.112 994 HH22 ARG 58 2HH2 ARG 58 3.986 -12.062 1.408 995 H LEU 59 H LEU 59 9.101 -16.442 -2.873 996 HA LEU 59 HA LEU 59 7.650 -17.737 -4.987 997 HG LEU 59 HG LEU 59 6.580 -15.644 -6.243 998 HB2 LEU 59 1HB LEU 59 9.048 -15.155 -4.583 999 HB3 LEU 59 2HB LEU 59 8.940 -15.748 -6.249 1000 HD11 LEU 59 1HD1 LEU 59 5.710 -16.456 -4.316 1001 HD12 LEU 59 2HD1 LEU 59 5.559 -14.736 -3.951 1002 HD13 LEU 59 3HD1 LEU 59 6.916 -15.659 -3.303 1003 HD21 LEU 59 3HD2 LEU 59 8.014 -13.450 -6.173 1004 HD22 LEU 59 1HD2 LEU 59 7.178 -13.202 -4.640 1005 HD23 LEU 59 2HD2 LEU 59 6.252 -13.375 -6.132 1006 H LYS 60 H LYS 60 11.025 -16.587 -4.822 1007 HA LYS 60 HA LYS 60 11.774 -18.862 -6.541 1008 HB2 LYS 60 1HB LYS 60 13.843 -17.170 -6.888 1009 HB3 LYS 60 2HB LYS 60 12.401 -17.172 -7.916 1010 HG2 LYS 60 1HG LYS 60 12.395 -15.474 -5.466 1011 HG3 LYS 60 2HG LYS 60 13.332 -14.948 -6.876 1012 HD2 LYS 60 1HD LYS 60 10.723 -15.868 -7.697 1013 HD3 LYS 60 2HD LYS 60 10.581 -14.626 -6.440 1014 HE2 LYS 60 1HE LYS 60 12.126 -14.391 -9.034 1015 HE3 LYS 60 2HE LYS 60 10.595 -13.597 -8.638 1016 HZ1 LYS 60 3HZ LYS 60 13.256 -12.814 -7.972 1017 HZ2 LYS 60 1HZ LYS 60 12.273 -12.892 -6.597 1018 HZ3 LYS 60 2HZ LYS 60 11.825 -11.917 -7.905 1019 H LYS 61 H LYS 61 13.757 -16.596 -4.675 1020 HA LYS 61 HA LYS 61 14.335 -18.218 -2.492 1021 HB2 LYS 61 1HB LYS 61 16.693 -18.921 -3.200 1022 HB3 LYS 61 2HB LYS 61 15.337 -19.860 -3.844 1023 HG2 LYS 61 1HG LYS 61 15.527 -18.905 -5.982 1024 HG3 LYS 61 2HG LYS 61 16.564 -17.597 -5.385 1025 HD2 LYS 61 1HD LYS 61 17.426 -20.472 -5.182 1026 HD3 LYS 61 2HD LYS 61 17.660 -19.544 -6.674 1027 HE2 LYS 61 1HE LYS 61 18.642 -17.782 -4.869 1028 HE3 LYS 61 2HE LYS 61 19.017 -19.313 -4.062 1029 HZ1 LYS 61 3HZ LYS 61 20.642 -19.731 -5.499 1030 HZ2 LYS 61 1HZ LYS 61 20.489 -18.132 -6.030 1031 HZ3 LYS 61 2HZ LYS 61 19.678 -19.374 -6.843 1032 H LEU 62 H LEU 62 15.528 -15.874 -4.813 1033 HA LEU 62 HA LEU 62 16.572 -13.870 -4.557 1034 HG LEU 62 HG LEU 62 15.131 -11.942 -3.588 1035 HB2 LEU 62 1HB LEU 62 14.863 -14.036 -2.448 1036 HB3 LEU 62 2HB LEU 62 16.417 -13.830 -1.621 1037 HD11 LEU 62 1HD1 LEU 62 15.550 -10.432 -1.500 1038 HD12 LEU 62 2HD1 LEU 62 15.572 -11.970 -0.637 1039 HD13 LEU 62 3HD1 LEU 62 14.145 -11.497 -1.559 1040 HD21 LEU 62 3HD2 LEU 62 17.257 -10.585 -2.681 1041 HD22 LEU 62 1HD2 LEU 62 17.276 -11.527 -4.172 1042 HD23 LEU 62 2HD2 LEU 62 17.933 -12.214 -2.686 1043 HC1 HLT 101 HC1 HLT 101 0.278 -0.844 -2.770 Start of MODEL 18 1 HA MET 1 HA MET 1 -14.358 21.336 6.040 2 H1 MET 1 1H MET 1 -13.572 24.042 6.622 3 HB2 MET 1 1HB MET 1 -15.334 23.898 5.437 4 HB3 MET 1 2HB MET 1 -14.867 23.189 3.885 5 HG2 MET 1 1HG MET 1 -16.620 21.820 3.857 6 HG3 MET 1 2HG MET 1 -16.319 21.301 5.518 7 HE1 MET 1 3HE MET 1 -19.842 22.426 4.312 8 HE2 MET 1 1HE MET 1 -19.216 23.944 3.667 9 HE3 MET 1 2HE MET 1 -18.443 22.418 3.237 10 H LYS 2 H LYS 2 -11.995 23.625 4.857 11 HA LYS 2 HA LYS 2 -10.268 23.440 3.388 12 HB2 LYS 2 1HB LYS 2 -10.695 20.658 4.355 13 HB3 LYS 2 2HB LYS 2 -9.660 20.875 2.934 14 HG2 LYS 2 1HG LYS 2 -8.346 20.805 4.988 15 HG3 LYS 2 2HG LYS 2 -8.220 22.382 4.187 16 HD2 LYS 2 1HD LYS 2 -10.410 22.187 6.143 17 HD3 LYS 2 2HD LYS 2 -8.784 22.016 6.830 18 HE2 LYS 2 1HE LYS 2 -8.192 24.164 6.354 19 HE3 LYS 2 2HE LYS 2 -9.171 24.209 4.881 20 HZ1 LYS 2 3HZ LYS 2 -11.061 24.033 6.770 21 HZ2 LYS 2 1HZ LYS 2 -10.505 25.492 6.117 22 HZ3 LYS 2 2HZ LYS 2 -9.885 24.932 7.587 23 H LYS 3 H LYS 3 -9.598 22.150 1.258 24 HA LYS 3 HA LYS 3 -11.638 21.082 -0.367 25 HB2 LYS 3 1HB LYS 3 -11.438 23.997 -0.256 26 HB3 LYS 3 2HB LYS 3 -11.274 23.356 -1.900 27 HG2 LYS 3 1HG LYS 3 -13.424 21.948 -0.892 28 HG3 LYS 3 2HG LYS 3 -13.628 23.574 -0.214 29 HD2 LYS 3 1HD LYS 3 -13.038 24.284 -2.712 30 HD3 LYS 3 2HD LYS 3 -13.697 22.673 -3.045 31 HE2 LYS 3 1HE LYS 3 -15.703 23.679 -3.053 32 HE3 LYS 3 2HE LYS 3 -15.534 23.689 -1.292 33 HZ1 LYS 3 3HZ LYS 3 -14.859 25.897 -1.285 34 HZ2 LYS 3 1HZ LYS 3 -16.079 25.876 -2.458 35 HZ3 LYS 3 2HZ LYS 3 -14.455 25.896 -2.928 36 H LEU 4 H LEU 4 -8.608 22.864 -0.199 37 HA LEU 4 HA LEU 4 -7.658 21.832 -2.720 38 HG LEU 4 HG LEU 4 -6.143 22.697 0.488 39 HB2 LEU 4 1HB LEU 4 -5.738 23.126 -2.391 40 HB3 LEU 4 2HB LEU 4 -7.059 24.076 -1.688 41 HD11 LEU 4 1HD1 LEU 4 -3.772 22.721 0.511 42 HD12 LEU 4 2HD1 LEU 4 -3.696 23.526 -1.055 43 HD13 LEU 4 3HD1 LEU 4 -4.259 21.858 -0.948 44 HD21 LEU 4 3HD2 LEU 4 -4.942 24.873 0.999 45 HD22 LEU 4 1HD2 LEU 4 -6.659 24.993 0.614 46 HD23 LEU 4 2HD2 LEU 4 -5.452 25.414 -0.601 47 H ARG 5 H ARG 5 -7.522 20.929 0.619 48 HA ARG 5 HA ARG 5 -5.238 19.250 0.486 49 HE ARG 5 HE ARG 5 -3.686 19.488 5.194 50 HB2 ARG 5 1HB ARG 5 -7.571 19.452 2.382 51 HB3 ARG 5 2HB ARG 5 -6.329 18.205 2.569 52 HG2 ARG 5 1HG ARG 5 -4.636 20.128 2.545 53 HG3 ARG 5 2HG ARG 5 -6.039 21.176 2.809 54 HD2 ARG 5 1HD ARG 5 -6.396 20.425 4.936 55 HD3 ARG 5 2HD ARG 5 -5.782 18.807 4.567 56 HH11 ARG 5 1HH1 ARG 5 -5.717 22.279 4.748 57 HH12 ARG 5 2HH1 ARG 5 -4.561 23.389 5.405 58 HH21 ARG 5 1HH2 ARG 5 -2.154 20.939 6.063 59 HH22 ARG 5 2HH2 ARG 5 -2.535 22.626 6.152 60 H GLU 6 H GLU 6 -8.537 18.870 -0.460 61 HA GLU 6 HA GLU 6 -8.900 16.128 -0.324 62 HE2 GLU 6 HE2 GLU 6 -11.608 19.520 0.949 63 HB2 GLU 6 1HB GLU 6 -10.042 18.351 -1.860 64 HB3 GLU 6 2HB GLU 6 -10.131 16.792 -2.694 65 HG2 GLU 6 1HG GLU 6 -12.001 16.436 -1.549 66 HG3 GLU 6 2HG GLU 6 -10.951 16.165 -0.151 67 H GLU 7 H GLU 7 -6.899 17.987 -2.460 68 HA GLU 7 HA GLU 7 -6.589 16.289 -4.621 69 HE2 GLU 7 HE2 GLU 7 -1.484 16.541 -1.950 70 HB2 GLU 7 1HB GLU 7 -4.435 17.333 -4.995 71 HB3 GLU 7 2HB GLU 7 -5.606 18.550 -4.462 72 HG2 GLU 7 1HG GLU 7 -3.833 19.153 -3.177 73 HG3 GLU 7 2HG GLU 7 -4.609 17.990 -2.094 74 H ALA 8 H ALA 8 -5.138 16.115 -1.422 75 HA ALA 8 HA ALA 8 -3.338 13.988 -2.068 76 HB1 ALA 8 3HB ALA 8 -2.447 14.597 -0.131 77 HB2 ALA 8 1HB ALA 8 -3.792 15.705 0.137 78 HB3 ALA 8 2HB ALA 8 -3.887 14.043 0.722 79 H ALA 9 H ALA 9 -6.649 14.201 -1.056 80 HA ALA 9 HA ALA 9 -7.055 11.709 0.100 81 HB1 ALA 9 3HB ALA 9 -9.145 12.799 -1.715 82 HB2 ALA 9 1HB ALA 9 -9.296 12.120 -0.094 83 HB3 ALA 9 2HB ALA 9 -8.663 13.752 -0.311 84 H LYS 10 H LYS 10 -7.126 12.632 -3.324 85 HA LYS 10 HA LYS 10 -7.959 10.216 -4.413 86 HB2 LYS 10 1HB LYS 10 -5.901 12.050 -5.655 87 HB3 LYS 10 2HB LYS 10 -7.028 10.970 -6.490 88 HG2 LYS 10 1HG LYS 10 -8.912 12.348 -5.573 89 HG3 LYS 10 2HG LYS 10 -7.690 13.490 -4.988 90 HD2 LYS 10 1HD LYS 10 -8.418 14.350 -7.067 91 HD3 LYS 10 2HD LYS 10 -6.841 13.602 -7.376 92 HE2 LYS 10 1HE LYS 10 -7.723 11.885 -8.606 93 HE3 LYS 10 2HE LYS 10 -9.250 11.901 -7.712 94 HZ1 LYS 10 3HZ LYS 10 -8.564 14.174 -9.451 95 HZ2 LYS 10 1HZ LYS 10 -10.088 13.606 -8.984 96 HZ3 LYS 10 2HZ LYS 10 -9.184 12.755 -10.134 97 H LEU 11 H LEU 11 -4.699 11.291 -3.544 98 HA LEU 11 HA LEU 11 -3.206 9.215 -4.587 99 HG LEU 11 HG LEU 11 -3.096 12.362 -3.211 100 HB2 LEU 11 1HB LEU 11 -2.655 10.413 -1.880 101 HB3 LEU 11 2HB LEU 11 -1.497 9.810 -3.078 102 HD11 LEU 11 1HD1 LEU 11 -0.269 11.649 -2.639 103 HD12 LEU 11 2HD1 LEU 11 -1.291 12.893 -1.922 104 HD13 LEU 11 3HD1 LEU 11 -0.595 13.139 -3.523 105 HD21 LEU 11 3HD2 LEU 11 -1.253 11.169 -5.280 106 HD22 LEU 11 1HD2 LEU 11 -1.993 12.768 -5.348 107 HD23 LEU 11 2HD2 LEU 11 -3.004 11.325 -5.422 108 H PHE 12 H PHE 12 -4.993 9.353 -1.542 109 HA PHE 12 HA PHE 12 -4.108 6.789 -0.639 110 HD1 PHE 12 HD2 PHE 12 -3.021 8.688 0.125 111 HD2 PHE 12 HD1 PHE 12 -5.830 7.634 3.143 112 HE1 PHE 12 HE2 PHE 12 -1.315 9.095 1.849 113 HE2 PHE 12 HE1 PHE 12 -4.129 8.040 4.873 114 HZ PHE 12 HZ PHE 12 -1.868 8.772 4.228 115 HB2 PHE 12 1HB PHE 12 -6.103 8.819 0.259 116 HB3 PHE 12 2HB PHE 12 -6.286 7.166 0.854 117 H GLU 13 H GLU 13 -6.630 7.927 -2.706 118 HA GLU 13 HA GLU 13 -8.532 5.927 -2.505 119 HE2 GLU 13 HE2 GLU 13 -11.114 9.678 -5.327 120 HB2 GLU 13 1HB GLU 13 -8.250 8.111 -4.062 121 HB3 GLU 13 2HB GLU 13 -7.883 6.846 -5.245 122 HG2 GLU 13 1HG GLU 13 -10.022 6.319 -5.475 123 HG3 GLU 13 2HG GLU 13 -10.221 6.150 -3.725 124 H GLU 14 H GLU 14 -5.400 5.877 -4.057 125 HA GLU 14 HA GLU 14 -5.839 3.432 -5.482 126 HE2 GLU 14 HE2 GLU 14 -1.470 6.491 -7.951 127 HB2 GLU 14 1HB GLU 14 -3.130 4.511 -4.739 128 HB3 GLU 14 2HB GLU 14 -3.603 3.596 -6.179 129 HG2 GLU 14 1HG GLU 14 -5.105 5.687 -6.661 130 HG3 GLU 14 2HG GLU 14 -3.962 6.488 -5.575 131 H TRP 15 H TRP 15 -4.479 4.323 -2.369 132 HA TRP 15 HA TRP 15 -3.186 1.989 -1.656 133 HD1 TRP 15 HD1 TRP 15 -5.564 1.463 1.386 134 HE1 TRP 15 HE1 TRP 15 -4.378 0.368 3.391 135 HE3 TRP 15 HE3 TRP 15 -0.969 3.655 0.909 136 HZ2 TRP 15 HZ2 TRP 15 -1.833 0.426 4.610 137 HZ3 TRP 15 HZ3 TRP 15 0.786 3.082 2.536 138 HH2 TRP 15 HH2 TRP 15 0.361 1.501 4.348 139 HB2 TRP 15 1HB TRP 15 -3.067 3.965 -0.266 140 HB3 TRP 15 2HB TRP 15 -4.797 3.885 0.063 141 H LYS 16 H LYS 16 -6.613 2.808 -1.142 142 HA LYS 16 HA LYS 16 -7.235 0.195 -0.126 143 HB2 LYS 16 1HB LYS 16 -9.558 0.970 -0.119 144 HB3 LYS 16 2HB LYS 16 -8.481 2.163 0.624 145 HG2 LYS 16 1HG LYS 16 -8.842 3.714 -0.980 146 HG3 LYS 16 2HG LYS 16 -9.005 2.499 -2.260 147 HD2 LYS 16 1HD LYS 16 -11.224 2.628 -2.143 148 HD3 LYS 16 2HD LYS 16 -11.166 2.176 -0.431 149 HE2 LYS 16 1HE LYS 16 -11.034 4.431 0.278 150 HE3 LYS 16 2HE LYS 16 -10.650 4.989 -1.356 151 HZ1 LYS 16 3HZ LYS 16 -13.204 4.526 -0.152 152 HZ2 LYS 16 1HZ LYS 16 -13.055 3.746 -1.647 153 HZ3 LYS 16 2HZ LYS 16 -12.811 5.416 -1.537 154 H LYS 17 H LYS 17 -6.872 1.535 -3.217 155 HA LYS 17 HA LYS 17 -8.775 -0.066 -4.617 156 HB2 LYS 17 1HB LYS 17 -7.414 2.139 -5.285 157 HB3 LYS 17 2HB LYS 17 -6.345 0.929 -6.012 158 HG2 LYS 17 1HG LYS 17 -7.809 1.567 -7.730 159 HG3 LYS 17 2HG LYS 17 -8.406 -0.001 -7.158 160 HD2 LYS 17 1HD LYS 17 -10.326 0.868 -6.326 161 HD3 LYS 17 2HD LYS 17 -9.533 2.364 -5.802 162 HE2 LYS 17 1HE LYS 17 -9.353 2.619 -8.505 163 HE3 LYS 17 2HE LYS 17 -10.871 1.722 -8.342 164 HZ1 LYS 17 3HZ LYS 17 -11.688 3.796 -8.105 165 HZ2 LYS 17 1HZ LYS 17 -10.233 4.444 -7.535 166 HZ3 LYS 17 2HZ LYS 17 -11.239 3.573 -6.490 167 H LEU 18 H LEU 18 -5.213 -0.215 -4.439 168 HA LEU 18 HA LEU 18 -4.864 -2.599 -5.808 169 HG LEU 18 HG LEU 18 -3.273 -0.920 -6.420 170 HB2 LEU 18 1HB LEU 18 -3.276 -1.380 -3.549 171 HB3 LEU 18 2HB LEU 18 -2.750 -2.810 -4.453 172 HD11 LEU 18 1HD1 LEU 18 -2.936 1.127 -5.642 173 HD12 LEU 18 2HD1 LEU 18 -1.399 0.639 -4.928 174 HD13 LEU 18 3HD1 LEU 18 -2.892 0.472 -4.004 175 HD21 LEU 18 3HD2 LEU 18 -1.125 -1.344 -7.013 176 HD22 LEU 18 1HD2 LEU 18 -1.324 -2.649 -5.844 177 HD23 LEU 18 2HD2 LEU 18 -0.514 -1.156 -5.369 178 H ALA 19 H ALA 19 -5.886 -2.040 -2.522 179 HA ALA 19 HA ALA 19 -5.437 -4.643 -1.512 180 HB1 ALA 19 3HB ALA 19 -7.531 -3.730 -0.033 181 HB2 ALA 19 1HB ALA 19 -5.836 -3.351 0.274 182 HB3 ALA 19 2HB ALA 19 -6.842 -2.225 -0.639 183 H GLU 20 H GLU 20 -7.953 -3.255 -3.469 184 HA GLU 20 HA GLU 20 -9.896 -5.295 -2.996 185 HE2 GLU 20 HE2 GLU 20 -13.626 -1.994 -2.934 186 HB2 GLU 20 1HB GLU 20 -10.066 -2.830 -4.029 187 HB3 GLU 20 2HB GLU 20 -9.943 -3.754 -5.535 188 HG2 GLU 20 1HG GLU 20 -12.169 -3.900 -5.377 189 HG3 GLU 20 2HG GLU 20 -11.819 -5.188 -4.216 190 H GLU 21 H GLU 21 -7.647 -4.612 -5.667 191 HA GLU 21 HA GLU 21 -8.327 -6.982 -7.106 192 HE2 GLU 21 HE2 GLU 21 -7.271 -5.268 -11.522 193 HB2 GLU 21 1HB GLU 21 -5.830 -5.298 -7.384 194 HB3 GLU 21 2HB GLU 21 -6.520 -6.396 -8.590 195 HG2 GLU 21 1HG GLU 21 -8.493 -4.464 -7.819 196 HG3 GLU 21 2HG GLU 21 -6.994 -3.648 -8.284 197 H ALA 22 H ALA 22 -5.492 -6.027 -5.178 198 HA ALA 22 HA ALA 22 -4.046 -8.392 -5.399 199 HB1 ALA 22 3HB ALA 22 -3.386 -6.132 -4.347 200 HB2 ALA 22 1HB ALA 22 -4.058 -6.802 -2.860 201 HB3 ALA 22 2HB ALA 22 -2.712 -7.612 -3.664 202 H ALA 23 H ALA 23 -6.916 -7.715 -3.617 203 HA ALA 23 HA ALA 23 -6.650 -9.844 -1.717 204 HB1 ALA 23 3HB ALA 23 -8.091 -8.324 -0.854 205 HB2 ALA 23 1HB ALA 23 -8.725 -7.863 -2.434 206 HB3 ALA 23 2HB ALA 23 -9.276 -9.351 -1.662 207 H LYS 24 H LYS 24 -8.727 -9.377 -4.579 208 HA LYS 24 HA LYS 24 -9.746 -12.017 -4.571 209 HB2 LYS 24 1HB LYS 24 -10.819 -11.478 -6.575 210 HB3 LYS 24 2HB LYS 24 -10.682 -9.922 -5.740 211 HG2 LYS 24 1HG LYS 24 -9.965 -9.249 -7.776 212 HG3 LYS 24 2HG LYS 24 -8.416 -9.827 -7.137 213 HD2 LYS 24 1HD LYS 24 -8.264 -11.293 -8.803 214 HD3 LYS 24 2HD LYS 24 -9.764 -12.058 -8.252 215 HE2 LYS 24 1HE LYS 24 -10.955 -10.135 -9.517 216 HE3 LYS 24 2HE LYS 24 -9.392 -9.920 -10.318 217 HZ1 LYS 24 3HZ LYS 24 -11.222 -12.226 -10.442 218 HZ2 LYS 24 1HZ LYS 24 -9.574 -12.431 -10.767 219 HZ3 LYS 24 2HZ LYS 24 -10.496 -11.371 -11.709 220 H LEU 25 H LEU 25 -6.886 -10.561 -5.933 221 HA LEU 25 HA LEU 25 -6.273 -12.764 -7.670 222 HG LEU 25 HG LEU 25 -6.045 -10.542 -9.239 223 HB2 LEU 25 1HB LEU 25 -5.143 -10.148 -7.017 224 HB3 LEU 25 2HB LEU 25 -3.916 -11.399 -7.281 225 HD11 LEU 25 1HD1 LEU 25 -3.814 -9.192 -8.683 226 HD12 LEU 25 2HD1 LEU 25 -4.477 -9.311 -10.313 227 HD13 LEU 25 3HD1 LEU 25 -3.150 -10.364 -9.822 228 HD21 LEU 25 3HD2 LEU 25 -3.942 -12.179 -10.319 229 HD22 LEU 25 1HD2 LEU 25 -5.690 -12.403 -10.395 230 HD23 LEU 25 2HD2 LEU 25 -4.781 -13.027 -9.019 231 H LEU 26 H LEU 26 -5.192 -11.653 -4.491 232 HA LEU 26 HA LEU 26 -3.095 -13.372 -4.023 233 HG LEU 26 HG LEU 26 -2.689 -11.117 -2.888 234 HB2 LEU 26 1HB LEU 26 -5.051 -11.923 -2.361 235 HB3 LEU 26 2HB LEU 26 -4.275 -13.313 -1.580 236 HD11 LEU 26 1HD1 LEU 26 -4.129 -11.116 -0.327 237 HD12 LEU 26 2HD1 LEU 26 -3.539 -9.772 -1.303 238 HD13 LEU 26 3HD1 LEU 26 -2.433 -10.638 -0.239 239 HD21 LEU 26 3HD2 LEU 26 -2.120 -13.516 -1.259 240 HD22 LEU 26 1HD2 LEU 26 -1.176 -12.071 -0.895 241 HD23 LEU 26 2HD2 LEU 26 -1.161 -12.746 -2.524 242 H GLU 27 H GLU 27 -6.545 -13.972 -3.388 243 HA GLU 27 HA GLU 27 -5.982 -16.760 -2.775 244 HE2 GLU 27 HE2 GLU 27 -10.655 -15.455 0.080 245 HB2 GLU 27 1HB GLU 27 -8.674 -15.390 -2.902 246 HB3 GLU 27 2HB GLU 27 -8.280 -16.921 -2.106 247 HG2 GLU 27 1HG GLU 27 -6.946 -15.787 -0.449 248 HG3 GLU 27 2HG GLU 27 -7.183 -14.244 -1.281 249 H GLY 28 H GLY 28 -5.968 -15.278 -5.542 250 HA2 GLY 28 1HA GLY 28 -7.941 -16.335 -7.189 251 HA3 GLY 28 2HA GLY 28 -6.316 -15.924 -7.717 252 H GLY 29 H GLY 29 -5.387 -17.978 -5.598 253 HA2 GLY 29 1HA GLY 29 -6.225 -20.528 -6.093 254 HA3 GLY 29 2HA GLY 29 -5.184 -20.158 -7.460 255 H GLY 30 H GLY 30 -4.776 -19.047 -4.130 256 HA2 GLY 30 1HA GLY 30 -2.598 -20.941 -3.708 257 HA3 GLY 30 2HA GLY 30 -2.150 -19.243 -3.782 258 H GLY 31 H GLY 31 -3.796 -21.709 -1.944 259 HA2 GLY 31 1HA GLY 31 -4.727 -19.967 0.125 260 HA3 GLY 31 2HA GLY 31 -4.642 -21.720 0.202 261 H GLY 32 H GLY 32 -2.672 -18.781 0.445 262 HA2 GLY 32 1HA GLY 32 -1.290 -18.447 2.396 263 HA3 GLY 32 2HA GLY 32 -1.037 -20.185 2.455 264 H GLY 33 H GLY 33 0.909 -17.968 2.392 265 HA2 GLY 33 1HA GLY 33 2.409 -18.878 0.020 266 HA3 GLY 33 2HA GLY 33 2.342 -17.173 0.441 267 H GLY 34 H GLY 34 3.637 -16.379 2.056 268 HA2 GLY 34 1HA GLY 34 5.694 -18.249 3.016 269 HA3 GLY 34 2HA GLY 34 5.871 -16.504 2.900 270 H GLY 35 H GLY 35 3.112 -16.222 4.122 271 HA2 GLY 35 1HA GLY 35 2.665 -17.254 6.546 272 HA3 GLY 35 2HA GLY 35 4.054 -16.227 6.874 273 H GLU 36 H GLU 36 3.445 -14.402 7.809 274 HA GLU 36 HA GLU 36 0.787 -13.359 7.510 275 HE2 GLU 36 HE2 GLU 36 -1.485 -11.786 9.057 276 HB2 GLU 36 1HB GLU 36 1.702 -13.085 9.657 277 HB3 GLU 36 2HB GLU 36 3.231 -12.466 9.016 278 HG2 GLU 36 1HG GLU 36 1.946 -10.686 10.051 279 HG3 GLU 36 2HG GLU 36 2.128 -10.415 8.311 280 H LEU 37 H LEU 37 3.811 -12.874 5.959 281 HA LEU 37 HA LEU 37 3.736 -10.260 5.110 282 HG LEU 37 HG LEU 37 3.830 -12.241 2.089 283 HB2 LEU 37 1HB LEU 37 5.299 -10.828 3.536 284 HB3 LEU 37 2HB LEU 37 5.423 -12.199 4.651 285 HD11 LEU 37 1HD1 LEU 37 6.132 -11.989 1.499 286 HD12 LEU 37 2HD1 LEU 37 5.690 -13.680 1.264 287 HD13 LEU 37 3HD1 LEU 37 6.623 -13.202 2.682 288 HD21 LEU 37 3HD2 LEU 37 4.568 -14.809 2.872 289 HD22 LEU 37 1HD2 LEU 37 2.961 -14.088 2.969 290 HD23 LEU 37 2HD2 LEU 37 4.045 -14.013 4.358 291 H MET 38 H MET 38 1.791 -12.954 4.046 292 HA MET 38 HA MET 38 0.792 -11.747 1.675 293 HB2 MET 38 1HB MET 38 0.639 -14.107 1.828 294 HB3 MET 38 2HB MET 38 -0.183 -14.023 3.393 295 HG2 MET 38 1HG MET 38 -2.205 -13.303 2.435 296 HG3 MET 38 2HG MET 38 -1.419 -12.900 0.906 297 HE1 MET 38 3HE MET 38 -0.895 -15.961 -0.980 298 HE2 MET 38 1HE MET 38 -0.111 -14.496 -0.390 299 HE3 MET 38 2HE MET 38 0.282 -16.056 0.332 300 H LYS 39 H LYS 39 -0.590 -12.141 4.933 301 HA LYS 39 HA LYS 39 -2.949 -10.679 4.408 302 HB2 LYS 39 1HB LYS 39 -2.693 -12.266 6.288 303 HB3 LYS 39 2HB LYS 39 -1.565 -11.137 7.058 304 HG2 LYS 39 1HG LYS 39 -3.776 -9.563 6.580 305 HG3 LYS 39 2HG LYS 39 -4.471 -11.132 7.022 306 HD2 LYS 39 1HD LYS 39 -2.871 -11.125 9.007 307 HD3 LYS 39 2HD LYS 39 -2.589 -9.417 8.624 308 HE2 LYS 39 1HE LYS 39 -4.759 -8.786 9.161 309 HE3 LYS 39 2HE LYS 39 -5.387 -10.424 8.924 310 HZ1 LYS 39 3HZ LYS 39 -4.109 -11.085 10.935 311 HZ2 LYS 39 1HZ LYS 39 -5.351 -9.977 11.242 312 HZ3 LYS 39 2HZ LYS 39 -3.743 -9.454 11.195 313 H LEU 40 H LEU 40 0.278 -9.734 5.274 314 HA LEU 40 HA LEU 40 -0.125 -7.229 6.381 315 HG LEU 40 HG LEU 40 2.152 -7.979 7.508 316 HB2 LEU 40 1HB LEU 40 2.043 -8.690 5.188 317 HB3 LEU 40 2HB LEU 40 2.088 -7.000 4.655 318 HD11 LEU 40 1HD1 LEU 40 4.310 -6.336 6.348 319 HD12 LEU 40 2HD1 LEU 40 4.198 -8.001 5.777 320 HD13 LEU 40 3HD1 LEU 40 4.388 -7.670 7.499 321 HD21 LEU 40 3HD2 LEU 40 0.958 -5.935 7.521 322 HD22 LEU 40 1HD2 LEU 40 2.051 -5.207 6.344 323 HD23 LEU 40 2HD2 LEU 40 2.616 -5.544 7.980 324 H CYS 41 H CYS 41 -0.213 -8.227 3.011 325 HA CYS 41 HA CYS 41 -0.388 -5.566 1.970 326 HG CYS 41 HG CYS 41 1.728 -6.154 0.525 327 HB2 CYS 41 1HB CYS 41 -0.255 -8.269 0.937 328 HB3 CYS 41 2HB CYS 41 -1.451 -7.303 0.056 329 H GLU 42 H GLU 42 -2.740 -8.225 2.290 330 HA GLU 42 HA GLU 42 -4.987 -6.899 1.371 331 HE2 GLU 42 HE2 GLU 42 -8.504 -7.263 5.046 332 HB2 GLU 42 1HB GLU 42 -4.911 -9.309 1.860 333 HB3 GLU 42 2HB GLU 42 -4.856 -8.946 3.592 334 HG2 GLU 42 1HG GLU 42 -7.114 -7.867 1.971 335 HG3 GLU 42 2HG GLU 42 -7.106 -9.580 2.411 336 H GLU 43 H GLU 43 -3.284 -6.515 4.354 337 HA GLU 43 HA GLU 43 -5.294 -5.422 5.966 338 HE2 GLU 43 HE2 GLU 43 -4.127 -5.308 10.165 339 HB2 GLU 43 1HB GLU 43 -2.309 -4.964 5.892 340 HB3 GLU 43 2HB GLU 43 -3.361 -4.255 7.127 341 HG2 GLU 43 1HG GLU 43 -3.957 -7.022 7.001 342 HG3 GLU 43 2HG GLU 43 -2.196 -6.847 7.046 343 H ALA 44 H ALA 44 -3.766 -4.173 3.184 344 HA ALA 44 HA ALA 44 -3.717 -1.446 3.565 345 HB1 ALA 44 3HB ALA 44 -3.889 -3.239 1.274 346 HB2 ALA 44 1HB ALA 44 -4.630 -1.665 0.986 347 HB3 ALA 44 2HB ALA 44 -2.944 -1.766 1.494 348 H ALA 45 H ALA 45 -6.473 -3.407 2.450 349 HA ALA 45 HA ALA 45 -8.286 -1.223 2.335 350 HB1 ALA 45 3HB ALA 45 -8.385 -4.104 1.918 351 HB2 ALA 45 1HB ALA 45 -9.862 -3.455 2.630 352 HB3 ALA 45 2HB ALA 45 -9.262 -2.809 1.102 353 H LYS 46 H LYS 46 -7.146 -3.235 4.889 354 HA LYS 46 HA LYS 46 -9.363 -2.817 6.659 355 HB2 LYS 46 1HB LYS 46 -7.003 -4.409 6.612 356 HB3 LYS 46 2HB LYS 46 -6.979 -3.450 8.100 357 HG2 LYS 46 1HG LYS 46 -9.437 -4.972 7.300 358 HG3 LYS 46 2HG LYS 46 -8.093 -5.767 8.137 359 HD2 LYS 46 1HD LYS 46 -8.456 -4.656 10.099 360 HD3 LYS 46 2HD LYS 46 -9.083 -3.214 9.281 361 HE2 LYS 46 1HE LYS 46 -11.057 -3.973 10.113 362 HE3 LYS 46 2HE LYS 46 -11.021 -4.935 8.629 363 HZ1 LYS 46 3HZ LYS 46 -9.967 -5.902 11.228 364 HZ2 LYS 46 1HZ LYS 46 -10.200 -6.805 9.818 365 HZ3 LYS 46 2HZ LYS 46 -11.534 -6.218 10.675 366 H LYS 47 H LYS 47 -6.026 -1.568 6.551 367 HA LYS 47 HA LYS 47 -6.478 0.326 8.640 368 HB2 LYS 47 1HB LYS 47 -4.261 -0.291 6.737 369 HB3 LYS 47 2HB LYS 47 -4.258 1.283 7.548 370 HG2 LYS 47 1HG LYS 47 -4.725 -1.013 9.326 371 HG3 LYS 47 2HG LYS 47 -3.132 -0.966 8.550 372 HD2 LYS 47 1HD LYS 47 -3.062 1.503 9.303 373 HD3 LYS 47 2HD LYS 47 -4.387 1.046 10.388 374 HE2 LYS 47 1HE LYS 47 -1.739 -0.410 10.285 375 HE3 LYS 47 2HE LYS 47 -2.087 0.924 11.394 376 HZ1 LYS 47 3HZ LYS 47 -2.477 -1.133 12.512 377 HZ2 LYS 47 1HZ LYS 47 -3.487 -1.690 11.275 378 HZ3 LYS 47 2HZ LYS 47 -3.976 -0.395 12.249 379 H ALA 48 H ALA 48 -6.922 0.314 5.214 380 HA ALA 48 HA ALA 48 -6.780 3.050 4.646 381 HB1 ALA 48 3HB ALA 48 -8.675 2.236 2.913 382 HB2 ALA 48 1HB ALA 48 -6.950 1.937 2.694 383 HB3 ALA 48 2HB ALA 48 -7.984 0.680 3.375 384 H GLU 49 H GLU 49 -9.606 1.070 5.541 385 HA GLU 49 HA GLU 49 -11.419 3.247 5.597 386 HE2 GLU 49 HE2 GLU 49 -15.985 1.143 6.546 387 HB2 GLU 49 1HB GLU 49 -11.451 0.389 6.283 388 HB3 GLU 49 2HB GLU 49 -12.530 1.382 7.276 389 HG2 GLU 49 1HG GLU 49 -12.732 2.038 4.452 390 HG3 GLU 49 2HG GLU 49 -13.089 0.337 4.786 391 H GLU 50 H GLU 50 -9.183 1.931 7.906 392 HA GLU 50 HA GLU 50 -10.350 3.149 10.214 393 HE2 GLU 50 HE2 GLU 50 -7.252 -0.953 12.661 394 HB2 GLU 50 1HB GLU 50 -8.228 1.338 9.661 395 HB3 GLU 50 2HB GLU 50 -7.553 2.692 10.580 396 HG2 GLU 50 1HG GLU 50 -8.689 2.182 12.469 397 HG3 GLU 50 2HG GLU 50 -10.086 1.557 11.582 398 H LEU 51 H LEU 51 -7.547 3.926 8.168 399 HA LEU 51 HA LEU 51 -6.969 6.361 9.546 400 HG LEU 51 HG LEU 51 -6.867 4.604 6.338 401 HB2 LEU 51 1HB LEU 51 -5.403 6.788 7.705 402 HB3 LEU 51 2HB LEU 51 -5.220 5.164 8.390 403 HD11 LEU 51 1HD1 LEU 51 -5.430 6.047 4.510 404 HD12 LEU 51 2HD1 LEU 51 -5.732 7.234 5.779 405 HD13 LEU 51 3HD1 LEU 51 -7.084 6.393 5.019 406 HD21 LEU 51 3HD2 LEU 51 -4.923 3.794 5.172 407 HD22 LEU 51 1HD2 LEU 51 -4.698 3.555 6.905 408 HD23 LEU 51 2HD2 LEU 51 -3.876 4.882 6.084 409 H PHE 52 H PHE 52 -8.664 5.530 6.556 410 HA PHE 52 HA PHE 52 -9.063 8.057 5.504 411 HD1 PHE 52 HD2 PHE 52 -10.168 8.285 2.970 412 HD2 PHE 52 HD1 PHE 52 -13.064 6.315 5.391 413 HE1 PHE 52 HE2 PHE 52 -11.963 9.507 1.813 414 HE2 PHE 52 HE1 PHE 52 -14.862 7.533 4.236 415 HZ PHE 52 HZ PHE 52 -14.313 9.133 2.445 416 HB2 PHE 52 1HB PHE 52 -9.676 6.128 4.225 417 HB3 PHE 52 2HB PHE 52 -10.838 5.614 5.450 418 H LYS 53 H LYS 53 -10.555 6.545 8.250 419 HA LYS 53 HA LYS 53 -12.902 7.968 8.533 420 HB2 LYS 53 1HB LYS 53 -11.854 6.087 9.995 421 HB3 LYS 53 2HB LYS 53 -11.150 7.429 10.910 422 HG2 LYS 53 1HG LYS 53 -13.049 7.162 12.116 423 HG3 LYS 53 2HG LYS 53 -13.667 8.271 10.877 424 HD2 LYS 53 1HD LYS 53 -14.030 5.868 9.648 425 HD3 LYS 53 2HD LYS 53 -14.283 5.435 11.348 426 HE2 LYS 53 1HE LYS 53 -15.614 7.927 10.524 427 HE3 LYS 53 2HE LYS 53 -16.189 6.473 9.696 428 HZ1 LYS 53 3HZ LYS 53 -17.406 6.068 11.488 429 HZ2 LYS 53 1HZ LYS 53 -16.676 7.322 12.359 430 HZ3 LYS 53 2HZ LYS 53 -15.983 5.779 12.355 431 H LEU 54 H LEU 54 -9.792 8.823 10.066 432 HA LEU 54 HA LEU 54 -10.720 11.464 10.709 433 HG LEU 54 HG LEU 54 -8.320 10.674 13.389 434 HB2 LEU 54 1HB LEU 54 -8.195 9.916 11.074 435 HB3 LEU 54 2HB LEU 54 -8.129 11.684 11.185 436 HD11 LEU 54 1HD1 LEU 54 -10.974 11.744 13.413 437 HD12 LEU 54 2HD1 LEU 54 -9.957 12.698 12.333 438 HD13 LEU 54 3HD1 LEU 54 -9.477 12.458 14.013 439 HD21 LEU 54 3HD2 LEU 54 -9.828 9.101 13.980 440 HD22 LEU 54 1HD2 LEU 54 -9.835 8.767 12.248 441 HD23 LEU 54 2HD2 LEU 54 -11.097 9.776 12.958 442 H ALA 55 H ALA 55 -8.960 9.983 8.112 443 HA ALA 55 HA ALA 55 -7.570 12.124 7.039 444 HB1 ALA 55 3HB ALA 55 -8.989 10.221 5.227 445 HB2 ALA 55 1HB ALA 55 -7.356 10.881 5.110 446 HB3 ALA 55 2HB ALA 55 -7.720 9.632 6.301 447 H GLU 56 H GLU 56 -10.989 11.317 6.772 448 HA GLU 56 HA GLU 56 -11.626 13.228 4.781 449 HE2 GLU 56 HE2 GLU 56 -16.083 10.103 8.220 450 HB2 GLU 56 1HB GLU 56 -13.889 12.730 5.203 451 HB3 GLU 56 2HB GLU 56 -13.017 11.222 5.518 452 HG2 GLU 56 1HG GLU 56 -12.985 12.234 7.991 453 HG3 GLU 56 2HG GLU 56 -14.458 13.003 7.383 454 H GLU 57 H GLU 57 -11.169 13.424 8.210 455 HA GLU 57 HA GLU 57 -12.590 15.838 8.661 456 HE2 GLU 57 HE2 GLU 57 -14.149 16.682 13.031 457 HB2 GLU 57 1HB GLU 57 -11.896 14.190 10.426 458 HB3 GLU 57 2HB GLU 57 -10.239 14.785 10.237 459 HG2 GLU 57 1HG GLU 57 -10.864 16.073 11.991 460 HG3 GLU 57 2HG GLU 57 -11.414 17.115 10.670 461 H ARG 58 H ARG 58 -9.131 15.154 8.171 462 HA ARG 58 HA ARG 58 -8.454 17.948 8.097 463 HE ARG 58 HE ARG 58 -8.137 15.189 9.701 464 HB2 ARG 58 1HB ARG 58 -6.198 17.018 7.320 465 HB3 ARG 58 2HB ARG 58 -6.746 16.576 8.944 466 HG2 ARG 58 1HG ARG 58 -7.689 14.637 7.044 467 HG3 ARG 58 2HG ARG 58 -5.939 14.860 6.884 468 HD2 ARG 58 1HD ARG 58 -6.781 13.096 8.560 469 HD3 ARG 58 2HD ARG 58 -5.525 14.226 9.087 470 HH11 ARG 58 1HH1 ARG 58 -5.649 12.986 10.738 471 HH12 ARG 58 2HH1 ARG 58 -6.139 13.009 12.400 472 HH21 ARG 58 1HH2 ARG 58 -8.793 15.227 11.885 473 HH22 ARG 58 2HH2 ARG 58 -7.928 14.283 13.050 474 H LEU 59 H LEU 59 -9.697 15.732 5.871 475 HA LEU 59 HA LEU 59 -8.570 17.086 3.546 476 HG LEU 59 HG LEU 59 -7.767 14.339 4.011 477 HB2 LEU 59 1HB LEU 59 -10.227 14.612 3.948 478 HB3 LEU 59 2HB LEU 59 -10.069 15.357 2.347 479 HD11 LEU 59 1HD1 LEU 59 -7.808 12.745 1.864 480 HD12 LEU 59 2HD1 LEU 59 -9.536 13.056 2.024 481 HD13 LEU 59 3HD1 LEU 59 -8.639 12.354 3.370 482 HD21 LEU 59 3HD2 LEU 59 -6.789 14.492 1.548 483 HD22 LEU 59 1HD2 LEU 59 -6.736 15.855 2.665 484 HD23 LEU 59 2HD2 LEU 59 -7.990 15.779 1.426 485 H LYS 60 H LYS 60 -11.869 16.008 4.368 486 HA LYS 60 HA LYS 60 -12.861 18.580 3.320 487 HB2 LYS 60 1HB LYS 60 -15.018 16.982 3.043 488 HB3 LYS 60 2HB LYS 60 -13.816 17.234 1.767 489 HG2 LYS 60 1HG LYS 60 -13.374 15.030 3.726 490 HG3 LYS 60 2HG LYS 60 -14.587 14.821 2.450 491 HD2 LYS 60 1HD LYS 60 -12.006 15.911 1.533 492 HD3 LYS 60 2HD LYS 60 -11.942 14.259 2.170 493 HE2 LYS 60 1HE LYS 60 -14.078 13.937 0.642 494 HE3 LYS 60 2HE LYS 60 -13.381 15.322 -0.212 495 HZ1 LYS 60 3HZ LYS 60 -11.449 14.129 -0.716 496 HZ2 LYS 60 1HZ LYS 60 -12.702 13.028 -0.994 497 HZ3 LYS 60 2HZ LYS 60 -11.777 12.916 0.417 498 H LYS 61 H LYS 61 -14.594 15.974 4.961 499 HA LYS 61 HA LYS 61 -14.641 17.034 7.537 500 HB2 LYS 61 1HB LYS 61 -16.224 18.532 5.709 501 HB3 LYS 61 2HB LYS 61 -17.327 17.654 6.780 502 HG2 LYS 61 1HG LYS 61 -15.099 18.939 8.182 503 HG3 LYS 61 2HG LYS 61 -16.174 20.063 7.332 504 HD2 LYS 61 1HD LYS 61 -18.069 18.618 8.455 505 HD3 LYS 61 2HD LYS 61 -16.773 18.209 9.591 506 HE2 LYS 61 1HE LYS 61 -16.697 20.293 10.488 507 HE3 LYS 61 2HE LYS 61 -17.049 21.072 8.938 508 HZ1 LYS 61 3HZ LYS 61 -19.100 19.597 10.488 509 HZ2 LYS 61 1HZ LYS 61 -19.342 20.645 9.181 510 HZ3 LYS 61 2HZ LYS 61 -18.827 21.257 10.672 511 H LEU 62 H LEU 62 -17.304 15.935 5.434 512 HA LEU 62 HA LEU 62 -18.738 14.175 5.619 513 HG LEU 62 HG LEU 62 -15.574 13.595 4.525 514 HB2 LEU 62 1HB LEU 62 -16.270 12.742 6.615 515 HB3 LEU 62 2HB LEU 62 -17.717 12.003 5.907 516 HD11 LEU 62 1HD1 LEU 62 -14.992 11.654 3.526 517 HD12 LEU 62 2HD1 LEU 62 -16.646 11.048 3.486 518 HD13 LEU 62 3HD1 LEU 62 -15.711 10.959 4.978 519 HD21 LEU 62 3HD2 LEU 62 -17.025 13.256 2.471 520 HD22 LEU 62 1HD2 LEU 62 -17.540 14.507 3.602 521 HD23 LEU 62 2HD2 LEU 62 -18.356 12.943 3.588 522 HA MET 1 HA MET 1 13.303 -21.972 -6.422 523 H1 MET 1 1H MET 1 12.531 -24.744 -6.356 524 HB2 MET 1 1HB MET 1 13.639 -24.206 -8.092 525 HB3 MET 1 2HB MET 1 12.651 -23.063 -9.016 526 HG2 MET 1 1HG MET 1 14.378 -21.714 -9.402 527 HG3 MET 1 2HG MET 1 14.860 -21.739 -7.704 528 HE1 MET 1 3HE MET 1 17.402 -22.363 -10.584 529 HE2 MET 1 1HE MET 1 16.391 -23.620 -11.299 530 HE3 MET 1 2HE MET 1 15.692 -22.053 -10.894 531 H LYS 2 H LYS 2 10.420 -23.845 -7.061 532 HA LYS 2 HA LYS 2 8.271 -23.261 -7.516 533 HB2 LYS 2 1HB LYS 2 9.375 -20.898 -6.084 534 HB3 LYS 2 2HB LYS 2 7.825 -20.690 -6.916 535 HG2 LYS 2 1HG LYS 2 7.500 -21.278 -4.573 536 HG3 LYS 2 2HG LYS 2 6.876 -22.539 -5.651 537 HD2 LYS 2 1HD LYS 2 9.686 -22.906 -4.864 538 HD3 LYS 2 2HD LYS 2 8.528 -22.980 -3.525 539 HE2 LYS 2 1HE LYS 2 7.546 -24.893 -4.281 540 HE3 LYS 2 2HE LYS 2 7.810 -24.471 -5.979 541 HZ1 LYS 2 3HZ LYS 2 10.322 -24.841 -5.129 542 HZ2 LYS 2 1HZ LYS 2 9.379 -26.044 -5.856 543 HZ3 LYS 2 2HZ LYS 2 9.500 -25.966 -4.170 544 H LYS 3 H LYS 3 6.922 -21.391 -8.678 545 HA LYS 3 HA LYS 3 8.202 -19.842 -10.655 546 HB2 LYS 3 1HB LYS 3 7.716 -22.654 -11.298 547 HB3 LYS 3 2HB LYS 3 6.961 -21.541 -12.448 548 HG2 LYS 3 1HG LYS 3 9.487 -20.480 -12.124 549 HG3 LYS 3 2HG LYS 3 9.758 -22.231 -12.091 550 HD2 LYS 3 1HD LYS 3 8.096 -22.152 -14.172 551 HD3 LYS 3 2HD LYS 3 8.747 -20.507 -14.290 552 HE2 LYS 3 1HE LYS 3 10.428 -21.437 -15.451 553 HE3 LYS 3 2HE LYS 3 11.009 -21.989 -13.874 554 HZ1 LYS 3 3HZ LYS 3 10.131 -24.101 -14.196 555 HZ2 LYS 3 1HZ LYS 3 10.745 -23.707 -15.724 556 HZ3 LYS 3 2HZ LYS 3 9.083 -23.601 -15.426 557 H LEU 4 H LEU 4 5.333 -21.640 -9.693 558 HA LEU 4 HA LEU 4 3.542 -19.902 -11.141 559 HG LEU 4 HG LEU 4 3.428 -21.730 -7.982 560 HB2 LEU 4 1HB LEU 4 1.799 -21.266 -10.385 561 HB3 LEU 4 2HB LEU 4 3.168 -22.363 -10.629 562 HD11 LEU 4 1HD1 LEU 4 1.304 -21.795 -6.930 563 HD12 LEU 4 2HD1 LEU 4 0.478 -22.087 -8.460 564 HD13 LEU 4 3HD1 LEU 4 1.230 -20.522 -8.149 565 HD21 LEU 4 3HD2 LEU 4 2.303 -23.976 -7.632 566 HD22 LEU 4 1HD2 LEU 4 3.667 -23.946 -8.748 567 HD23 LEU 4 2HD2 LEU 4 2.019 -23.994 -9.373 568 H ARG 5 H ARG 5 4.931 -20.063 -7.975 569 HA ARG 5 HA ARG 5 3.021 -18.451 -6.626 570 HE ARG 5 HE ARG 5 3.570 -20.156 -1.981 571 HB2 ARG 5 1HB ARG 5 5.882 -19.207 -6.064 572 HB3 ARG 5 2HB ARG 5 4.995 -18.091 -5.015 573 HG2 ARG 5 1HG ARG 5 3.220 -19.921 -4.836 574 HG3 ARG 5 2HG ARG 5 4.447 -20.992 -5.535 575 HD2 ARG 5 1HD ARG 5 5.761 -20.958 -3.669 576 HD3 ARG 5 2HD ARG 5 5.282 -19.308 -3.246 577 HH11 ARG 5 1HH1 ARG 5 4.817 -22.657 -4.057 578 HH12 ARG 5 2HH1 ARG 5 3.902 -23.920 -3.302 579 HH21 ARG 5 1HH2 ARG 5 2.359 -21.810 -0.980 580 HH22 ARG 5 2HH2 ARG 5 2.504 -23.438 -1.553 581 H GLU 6 H GLU 6 5.669 -17.767 -8.740 582 HA GLU 6 HA GLU 6 6.385 -15.197 -8.006 583 HE2 GLU 6 HE2 GLU 6 9.049 -18.689 -8.983 584 HB2 GLU 6 1HB GLU 6 6.554 -16.845 -10.412 585 HB3 GLU 6 2HB GLU 6 6.424 -15.117 -10.771 586 HG2 GLU 6 1HG GLU 6 8.625 -15.021 -10.490 587 HG3 GLU 6 2HG GLU 6 8.293 -15.186 -8.760 588 H GLU 7 H GLU 7 3.489 -16.330 -9.555 589 HA GLU 7 HA GLU 7 2.544 -14.029 -10.772 590 HE2 GLU 7 HE2 GLU 7 -1.136 -15.192 -6.505 591 HB2 GLU 7 1HB GLU 7 0.325 -14.956 -10.560 592 HB3 GLU 7 2HB GLU 7 1.470 -16.260 -10.912 593 HG2 GLU 7 1HG GLU 7 0.256 -17.256 -9.268 594 HG3 GLU 7 2HG GLU 7 1.514 -16.484 -8.293 595 H ALA 8 H ALA 8 2.527 -14.934 -7.378 596 HA ALA 8 HA ALA 8 0.850 -12.773 -6.538 597 HB1 ALA 8 3HB ALA 8 0.756 -13.997 -4.693 598 HB2 ALA 8 1HB ALA 8 1.971 -15.089 -5.358 599 HB3 ALA 8 2HB ALA 8 2.468 -13.700 -4.391 600 H ALA 9 H ALA 9 4.248 -13.192 -7.102 601 HA ALA 9 HA ALA 9 5.324 -11.169 -5.522 602 HB1 ALA 9 3HB ALA 9 6.426 -11.606 -8.251 603 HB2 ALA 9 1HB ALA 9 7.262 -11.449 -6.706 604 HB3 ALA 9 2HB ALA 9 6.432 -12.951 -7.111 605 H LYS 10 H LYS 10 4.005 -11.002 -8.814 606 HA LYS 10 HA LYS 10 4.578 -8.339 -9.369 607 HB2 LYS 10 1HB LYS 10 2.060 -9.781 -10.220 608 HB3 LYS 10 2HB LYS 10 2.878 -8.453 -11.059 609 HG2 LYS 10 1HG LYS 10 4.848 -9.972 -11.379 610 HG3 LYS 10 2HG LYS 10 3.839 -11.286 -10.749 611 HD2 LYS 10 1HD LYS 10 3.672 -11.429 -13.103 612 HD3 LYS 10 2HD LYS 10 2.160 -10.687 -12.551 613 HE2 LYS 10 1HE LYS 10 2.660 -8.639 -13.446 614 HE3 LYS 10 2HE LYS 10 4.404 -8.871 -13.245 615 HZ1 LYS 10 3HZ LYS 10 2.936 -10.518 -15.193 616 HZ2 LYS 10 1HZ LYS 10 4.566 -10.063 -15.189 617 HZ3 LYS 10 2HZ LYS 10 3.374 -8.935 -15.598 618 H LEU 11 H LEU 11 1.821 -9.749 -7.660 619 HA LEU 11 HA LEU 11 0.198 -7.534 -7.401 620 HG LEU 11 HG LEU 11 0.353 -10.918 -7.074 621 HB2 LEU 11 1HB LEU 11 0.685 -9.495 -5.163 622 HB3 LEU 11 2HB LEU 11 -0.798 -8.596 -5.533 623 HD11 LEU 11 1HD1 LEU 11 -1.893 -10.545 -5.163 624 HD12 LEU 11 2HD1 LEU 11 -0.777 -11.897 -5.350 625 HD13 LEU 11 3HD1 LEU 11 -2.101 -11.682 -6.495 626 HD21 LEU 11 3HD2 LEU 11 -2.072 -9.235 -7.694 627 HD22 LEU 11 1HD2 LEU 11 -1.582 -10.701 -8.543 628 HD23 LEU 11 2HD2 LEU 11 -0.567 -9.260 -8.614 629 H PHE 12 H PHE 12 2.948 -8.487 -5.375 630 HA PHE 12 HA PHE 12 2.690 -6.254 -3.610 631 HD1 PHE 12 HD2 PHE 12 2.029 -9.026 -3.379 632 HD2 PHE 12 HD1 PHE 12 5.136 -7.618 -0.835 633 HE1 PHE 12 HE2 PHE 12 0.918 -10.074 -1.449 634 HE2 PHE 12 HE1 PHE 12 4.032 -8.664 1.099 635 HZ PHE 12 HZ PHE 12 1.919 -9.893 0.794 636 HB2 PHE 12 1HB PHE 12 4.746 -8.397 -4.050 637 HB3 PHE 12 2HB PHE 12 5.142 -7.001 -3.046 638 H GLU 13 H GLU 13 4.142 -6.768 -6.682 639 HA GLU 13 HA GLU 13 6.191 -4.858 -6.635 640 HE2 GLU 13 HE2 GLU 13 7.585 -7.838 -10.865 641 HB2 GLU 13 1HB GLU 13 5.338 -6.657 -8.451 642 HB3 GLU 13 2HB GLU 13 4.675 -5.177 -9.160 643 HG2 GLU 13 1HG GLU 13 6.656 -4.557 -9.935 644 HG3 GLU 13 2HG GLU 13 7.401 -4.769 -8.343 645 H GLU 14 H GLU 14 2.801 -4.554 -7.670 646 HA GLU 14 HA GLU 14 2.940 -1.816 -8.328 647 HE2 GLU 14 HE2 GLU 14 -1.895 -4.223 -10.591 648 HB2 GLU 14 1HB GLU 14 0.457 -3.223 -7.355 649 HB3 GLU 14 2HB GLU 14 0.577 -1.873 -8.494 650 HG2 GLU 14 1HG GLU 14 1.937 -3.588 -9.934 651 HG3 GLU 14 2HG GLU 14 1.078 -4.773 -8.941 652 H TRP 15 H TRP 15 2.284 -3.513 -5.329 653 HA TRP 15 HA TRP 15 1.193 -1.494 -3.790 654 HD1 TRP 15 HD1 TRP 15 4.189 -1.735 -1.211 655 HE1 TRP 15 HE1 TRP 15 3.407 -1.194 1.181 656 HE3 TRP 15 HE3 TRP 15 -0.522 -3.708 -1.430 657 HZ2 TRP 15 HZ2 TRP 15 1.099 -1.555 2.765 658 HZ3 TRP 15 HZ3 TRP 15 -1.954 -3.569 0.566 659 HH2 TRP 15 HH2 TRP 15 -1.158 -2.516 2.620 660 HB2 TRP 15 1HB TRP 15 1.372 -3.770 -2.969 661 HB3 TRP 15 2HB TRP 15 3.133 -3.667 -2.976 662 H LYS 16 H LYS 16 4.652 -2.290 -4.134 663 HA LYS 16 HA LYS 16 5.461 0.078 -2.718 664 HB2 LYS 16 1HB LYS 16 7.745 -0.627 -3.255 665 HB3 LYS 16 2HB LYS 16 6.797 -1.969 -2.594 666 HG2 LYS 16 1HG LYS 16 6.867 -3.165 -4.511 667 HG3 LYS 16 2HG LYS 16 6.822 -1.717 -5.534 668 HD2 LYS 16 1HD LYS 16 9.026 -1.812 -5.820 669 HD3 LYS 16 2HD LYS 16 9.266 -1.706 -4.066 670 HE2 LYS 16 1HE LYS 16 9.237 -4.057 -3.803 671 HE3 LYS 16 2HE LYS 16 8.574 -4.295 -5.427 672 HZ1 LYS 16 3HZ LYS 16 11.301 -4.012 -4.604 673 HZ2 LYS 16 1HZ LYS 16 10.905 -2.963 -5.869 674 HZ3 LYS 16 2HZ LYS 16 10.669 -4.628 -6.047 675 H LYS 17 H LYS 17 4.562 -0.623 -5.907 676 HA LYS 17 HA LYS 17 6.227 1.197 -7.307 677 HB2 LYS 17 1HB LYS 17 4.612 -0.752 -8.120 678 HB3 LYS 17 2HB LYS 17 3.477 0.597 -8.289 679 HG2 LYS 17 1HG LYS 17 4.467 0.363 -10.401 680 HG3 LYS 17 2HG LYS 17 5.275 1.753 -9.655 681 HD2 LYS 17 1HD LYS 17 7.277 0.698 -9.511 682 HD3 LYS 17 2HD LYS 17 6.531 -0.872 -9.166 683 HE2 LYS 17 1HE LYS 17 5.728 -0.484 -11.737 684 HE3 LYS 17 2HE LYS 17 7.299 0.331 -11.738 685 HZ1 LYS 17 3HZ LYS 17 8.011 -1.750 -12.172 686 HZ2 LYS 17 1HZ LYS 17 6.682 -2.496 -11.440 687 HZ3 LYS 17 2HZ LYS 17 7.950 -1.909 -10.489 688 H LEU 18 H LEU 18 2.752 1.469 -6.531 689 HA LEU 18 HA LEU 18 2.477 4.157 -7.187 690 HG LEU 18 HG LEU 18 0.663 2.860 -8.061 691 HB2 LEU 18 1HB LEU 18 0.996 2.467 -5.169 692 HB3 LEU 18 2HB LEU 18 0.507 4.107 -5.632 693 HD11 LEU 18 1HD1 LEU 18 0.624 0.656 -7.803 694 HD12 LEU 18 2HD1 LEU 18 -0.977 0.828 -7.085 695 HD13 LEU 18 3HD1 LEU 18 0.452 0.805 -6.054 696 HD21 LEU 18 3HD2 LEU 18 -1.543 3.366 -8.183 697 HD22 LEU 18 1HD2 LEU 18 -1.173 4.245 -6.699 698 HD23 LEU 18 2HD2 LEU 18 -1.909 2.645 -6.616 699 H ALA 19 H ALA 19 3.755 2.657 -4.318 700 HA ALA 19 HA ALA 19 3.609 4.910 -2.603 701 HB1 ALA 19 3HB ALA 19 5.686 3.527 -1.586 702 HB2 ALA 19 1HB ALA 19 3.996 3.107 -1.310 703 HB3 ALA 19 2HB ALA 19 4.919 2.273 -2.560 704 H GLU 20 H GLU 20 5.554 4.223 -5.297 705 HA GLU 20 HA GLU 20 7.915 5.613 -4.520 706 HE2 GLU 20 HE2 GLU 20 10.801 2.286 -6.829 707 HB2 GLU 20 1HB GLU 20 7.367 3.918 -6.522 708 HB3 GLU 20 2HB GLU 20 7.180 5.448 -7.392 709 HG2 GLU 20 1HG GLU 20 9.376 5.257 -7.764 710 HG3 GLU 20 2HG GLU 20 9.520 5.888 -6.118 711 H GLU 21 H GLU 21 5.124 6.502 -6.538 712 HA GLU 21 HA GLU 21 5.991 9.147 -7.044 713 HE2 GLU 21 HE2 GLU 21 3.350 9.647 -11.125 714 HB2 GLU 21 1HB GLU 21 3.135 8.155 -7.028 715 HB3 GLU 21 2HB GLU 21 3.790 9.536 -7.923 716 HG2 GLU 21 1HG GLU 21 5.255 7.188 -8.641 717 HG3 GLU 21 2HG GLU 21 3.520 6.872 -8.789 718 H ALA 22 H ALA 22 3.579 7.855 -4.763 719 HA ALA 22 HA ALA 22 2.898 10.279 -3.553 720 HB1 ALA 22 3HB ALA 22 1.826 7.929 -3.341 721 HB2 ALA 22 1HB ALA 22 2.948 7.727 -1.996 722 HB3 ALA 22 2HB ALA 22 1.763 9.033 -1.968 723 H ALA 23 H ALA 23 5.719 8.324 -3.237 724 HA ALA 23 HA ALA 23 6.535 9.327 -0.677 725 HB1 ALA 23 3HB ALA 23 7.560 7.332 -0.995 726 HB2 ALA 23 1HB ALA 23 7.681 7.546 -2.741 727 HB3 ALA 23 2HB ALA 23 8.820 8.364 -1.669 728 H LYS 24 H LYS 24 7.725 9.848 -4.000 729 HA LYS 24 HA LYS 24 9.524 11.911 -3.310 730 HB2 LYS 24 1HB LYS 24 9.885 12.196 -5.603 731 HB3 LYS 24 2HB LYS 24 9.431 10.491 -5.453 732 HG2 LYS 24 1HG LYS 24 8.102 11.020 -7.205 733 HG3 LYS 24 2HG LYS 24 7.012 11.508 -5.895 734 HD2 LYS 24 1HD LYS 24 6.983 13.589 -6.681 735 HD3 LYS 24 2HD LYS 24 8.734 13.697 -6.431 736 HE2 LYS 24 1HE LYS 24 8.911 12.416 -8.681 737 HE3 LYS 24 2HE LYS 24 7.229 12.920 -8.904 738 HZ1 LYS 24 3HZ LYS 24 9.645 14.596 -8.737 739 HZ2 LYS 24 1HZ LYS 24 8.132 15.250 -8.356 740 HZ3 LYS 24 2HZ LYS 24 8.414 14.613 -9.898 741 H LEU 25 H LEU 25 6.120 11.887 -4.083 742 HA LEU 25 HA LEU 25 5.923 14.727 -4.460 743 HG LEU 25 HG LEU 25 4.693 13.487 -6.612 744 HB2 LEU 25 1HB LEU 25 4.121 12.403 -4.515 745 HB3 LEU 25 2HB LEU 25 3.382 13.903 -3.927 746 HD11 LEU 25 1HD1 LEU 25 2.264 12.634 -5.916 747 HD12 LEU 25 2HD1 LEU 25 2.629 13.276 -7.517 748 HD13 LEU 25 3HD1 LEU 25 1.868 14.308 -6.307 749 HD21 LEU 25 3HD2 LEU 25 3.152 15.895 -6.358 750 HD22 LEU 25 1HD2 LEU 25 4.834 15.689 -6.847 751 HD23 LEU 25 2HD2 LEU 25 4.428 15.858 -5.140 752 H LEU 26 H LEU 26 5.231 12.453 -1.842 753 HA LEU 26 HA LEU 26 3.961 14.103 -0.041 754 HG LEU 26 HG LEU 26 3.027 11.832 0.212 755 HB2 LEU 26 1HB LEU 26 5.620 11.676 0.118 756 HB3 LEU 26 2HB LEU 26 5.554 12.638 1.606 757 HD11 LEU 26 1HD1 LEU 26 4.930 10.086 1.611 758 HD12 LEU 26 2HD1 LEU 26 3.646 9.690 0.469 759 HD13 LEU 26 3HD1 LEU 26 3.260 9.976 2.166 760 HD21 LEU 26 3HD2 LEU 26 3.839 12.958 2.809 761 HD22 LEU 26 1HD2 LEU 26 2.581 11.722 2.870 762 HD23 LEU 26 2HD2 LEU 26 2.347 13.171 1.891 763 H GLU 27 H GLU 27 7.466 13.650 -0.451 764 HA GLU 27 HA GLU 27 7.994 15.841 1.395 765 HE2 GLU 27 HE2 GLU 27 12.466 12.436 1.729 766 HB2 GLU 27 1HB GLU 27 9.992 14.197 -0.170 767 HB3 GLU 27 2HB GLU 27 10.306 15.206 1.251 768 HG2 GLU 27 1HG GLU 27 9.051 13.709 2.665 769 HG3 GLU 27 2HG GLU 27 8.584 12.739 1.261 770 H GLY 28 H GLY 28 6.900 15.929 -1.536 771 HA2 GLY 28 1HA GLY 28 8.706 17.213 -3.203 772 HA3 GLY 28 2HA GLY 28 6.969 17.475 -3.230 773 H GLY 29 H GLY 29 7.296 18.378 -0.299 774 HA2 GLY 29 1HA GLY 29 8.878 20.617 -0.055 775 HA3 GLY 29 2HA GLY 29 7.439 21.168 -0.902 776 H GLY 30 H GLY 30 7.834 18.789 1.714 777 HA2 GLY 30 1HA GLY 30 6.414 20.584 3.539 778 HA3 GLY 30 2HA GLY 30 5.656 19.042 3.170 779 H GLY 31 H GLY 31 8.294 20.635 4.803 780 HA2 GLY 31 1HA GLY 31 9.418 18.150 5.787 781 HA3 GLY 31 2HA GLY 31 9.959 19.774 6.187 782 H GLY 32 H GLY 32 6.848 18.065 6.555 783 HA2 GLY 32 1HA GLY 32 5.792 17.424 8.537 784 HA3 GLY 32 2HA GLY 32 7.096 18.174 9.446 785 H GLY 33 H GLY 33 3.886 18.396 8.685 786 HA2 GLY 33 1HA GLY 33 3.550 20.861 10.039 787 HA3 GLY 33 2HA GLY 33 3.398 21.112 8.305 788 H GLY 34 H GLY 34 1.423 20.927 7.485 789 HA2 GLY 34 1HA GLY 34 -0.584 19.449 9.070 790 HA3 GLY 34 2HA GLY 34 -0.945 20.845 8.066 791 H GLY 35 H GLY 35 1.255 18.445 6.881 792 HA2 GLY 35 1HA GLY 35 -0.791 16.950 5.478 793 HA3 GLY 35 2HA GLY 35 0.168 18.008 4.454 794 H GLU 36 H GLU 36 2.645 17.711 5.810 795 HA GLU 36 HA GLU 36 3.764 15.565 4.487 796 HE2 GLU 36 HE2 GLU 36 6.561 14.842 3.187 797 HB2 GLU 36 1HB GLU 36 5.208 17.261 5.289 798 HB3 GLU 36 2HB GLU 36 4.653 17.043 6.956 799 HG2 GLU 36 1HG GLU 36 6.878 16.131 6.681 800 HG3 GLU 36 2HG GLU 36 5.713 14.846 7.031 801 H LEU 37 H LEU 37 2.061 15.617 7.503 802 HA LEU 37 HA LEU 37 2.979 13.344 8.770 803 HG LEU 37 HG LEU 37 -0.567 13.405 7.839 804 HB2 LEU 37 1HB LEU 37 0.929 13.273 9.948 805 HB3 LEU 37 2HB LEU 37 1.273 14.978 9.610 806 HD11 LEU 37 1HD1 LEU 37 -1.488 13.068 10.017 807 HD12 LEU 37 2HD1 LEU 37 -2.434 14.320 9.211 808 HD13 LEU 37 3HD1 LEU 37 -1.248 14.764 10.439 809 HD21 LEU 37 3HD2 LEU 37 -1.448 16.002 8.097 810 HD22 LEU 37 1HD2 LEU 37 -0.484 15.360 6.767 811 HD23 LEU 37 2HD2 LEU 37 0.308 16.165 8.122 812 H MET 38 H MET 38 1.080 13.621 5.884 813 HA MET 38 HA MET 38 -0.133 11.117 5.780 814 HB2 MET 38 1HB MET 38 -0.752 12.760 4.174 815 HB3 MET 38 2HB MET 38 0.914 12.914 3.595 816 HG2 MET 38 1HG MET 38 0.855 10.785 2.542 817 HG3 MET 38 2HG MET 38 -0.667 10.375 3.338 818 HE1 MET 38 3HE MET 38 -3.376 12.105 1.643 819 HE2 MET 38 1HE MET 38 -2.657 11.781 3.221 820 HE3 MET 38 2HE MET 38 -2.525 13.387 2.506 821 H LYS 39 H LYS 39 3.182 11.991 5.475 822 HA LYS 39 HA LYS 39 4.241 9.990 3.897 823 HB2 LYS 39 1HB LYS 39 5.519 11.885 4.857 824 HB3 LYS 39 2HB LYS 39 5.456 11.090 6.438 825 HG2 LYS 39 1HG LYS 39 6.478 9.119 4.812 826 HG3 LYS 39 2HG LYS 39 7.212 10.600 4.170 827 HD2 LYS 39 1HD LYS 39 7.797 11.182 6.587 828 HD3 LYS 39 2HD LYS 39 7.374 9.503 6.966 829 HE2 LYS 39 1HE LYS 39 9.148 8.628 5.746 830 HE3 LYS 39 2HE LYS 39 9.297 10.085 4.752 831 HZ1 LYS 39 3HZ LYS 39 10.079 11.257 6.783 832 HZ2 LYS 39 1HZ LYS 39 11.117 10.029 6.256 833 HZ3 LYS 39 2HZ LYS 39 10.109 9.769 7.588 834 H LEU 40 H LEU 40 2.887 9.775 7.079 835 HA LEU 40 HA LEU 40 4.044 7.486 8.093 836 HG LEU 40 HG LEU 40 3.349 8.792 10.289 837 HB2 LEU 40 1HB LEU 40 1.665 9.029 8.554 838 HB3 LEU 40 2HB LEU 40 1.292 7.299 8.663 839 HD11 LEU 40 1HD1 LEU 40 1.101 7.335 11.528 840 HD12 LEU 40 2HD1 LEU 40 0.697 8.822 10.673 841 HD13 LEU 40 3HD1 LEU 40 1.867 8.855 11.991 842 HD21 LEU 40 3HD2 LEU 40 4.219 6.620 9.932 843 HD22 LEU 40 1HD2 LEU 40 2.637 5.872 10.152 844 HD23 LEU 40 2HD2 LEU 40 3.468 6.596 11.529 845 H CYS 41 H CYS 41 1.638 7.811 5.570 846 HA CYS 41 HA CYS 41 0.993 5.022 5.460 847 HG CYS 41 HG CYS 41 -1.533 5.401 5.645 848 HB2 CYS 41 1HB CYS 41 0.060 7.443 4.275 849 HB3 CYS 41 2HB CYS 41 0.405 6.286 2.980 850 H GLU 42 H GLU 42 3.218 7.165 3.776 851 HA GLU 42 HA GLU 42 3.974 5.571 1.648 852 HE2 GLU 42 HE2 GLU 42 9.028 4.947 2.026 853 HB2 GLU 42 1HB GLU 42 4.721 7.893 1.964 854 HB3 GLU 42 2HB GLU 42 5.753 7.369 3.303 855 HG2 GLU 42 1HG GLU 42 6.105 6.080 0.639 856 HG3 GLU 42 2HG GLU 42 6.723 7.719 0.892 857 H GLU 43 H GLU 43 4.619 5.162 5.014 858 HA GLU 43 HA GLU 43 6.938 3.643 5.001 859 HE2 GLU 43 HE2 GLU 43 8.557 3.239 9.030 860 HB2 GLU 43 1HB GLU 43 4.494 3.482 6.771 861 HB3 GLU 43 2HB GLU 43 5.978 2.565 7.079 862 HG2 GLU 43 1HG GLU 43 6.729 5.267 6.678 863 HG3 GLU 43 2HG GLU 43 5.354 5.247 7.790 864 H ALA 44 H ALA 44 3.819 2.860 3.808 865 HA ALA 44 HA ALA 44 3.661 0.121 4.038 866 HB1 ALA 44 3HB ALA 44 2.518 2.143 2.316 867 HB2 ALA 44 1HB ALA 44 2.763 0.621 1.460 868 HB3 ALA 44 2HB ALA 44 1.803 0.656 2.940 869 H ALA 45 H ALA 45 5.381 1.990 1.554 870 HA ALA 45 HA ALA 45 6.352 -0.308 0.173 871 HB1 ALA 45 3HB ALA 45 6.589 2.588 -0.071 872 HB2 ALA 45 1HB ALA 45 8.056 1.722 -0.526 873 HB3 ALA 45 2HB ALA 45 6.526 1.345 -1.320 874 H LYS 46 H LYS 46 7.386 1.457 2.949 875 HA LYS 46 HA LYS 46 10.138 0.811 2.897 876 HB2 LYS 46 1HB LYS 46 8.359 2.218 4.596 877 HB3 LYS 46 2HB LYS 46 9.170 0.999 5.591 878 HG2 LYS 46 1HG LYS 46 10.748 2.781 3.766 879 HG3 LYS 46 2HG LYS 46 10.235 3.330 5.371 880 HD2 LYS 46 1HD LYS 46 11.630 1.898 6.474 881 HD3 LYS 46 2HD LYS 46 11.538 0.670 5.200 882 HE2 LYS 46 1HE LYS 46 13.663 1.370 4.795 883 HE3 LYS 46 2HE LYS 46 12.805 2.584 3.834 884 HZ1 LYS 46 3HZ LYS 46 13.595 3.000 6.663 885 HZ2 LYS 46 1HZ LYS 46 12.993 4.158 5.586 886 HZ3 LYS 46 2HZ LYS 46 14.531 3.497 5.345 887 H LYS 47 H LYS 47 7.375 -0.715 4.534 888 HA LYS 47 HA LYS 47 8.944 -2.860 5.593 889 HB2 LYS 47 1HB LYS 47 6.040 -2.169 5.479 890 HB3 LYS 47 2HB LYS 47 6.492 -3.844 5.835 891 HG2 LYS 47 1HG LYS 47 7.946 -1.823 7.400 892 HG3 LYS 47 2HG LYS 47 6.200 -1.899 7.696 893 HD2 LYS 47 1HD LYS 47 6.545 -4.451 7.882 894 HD3 LYS 47 2HD LYS 47 8.262 -4.050 8.058 895 HE2 LYS 47 1HE LYS 47 6.084 -2.854 9.781 896 HE3 LYS 47 2HE LYS 47 6.997 -4.307 10.213 897 HZ1 LYS 47 3HZ LYS 47 8.003 -2.424 11.253 898 HZ2 LYS 47 1HZ LYS 47 8.103 -1.587 9.786 899 HZ3 LYS 47 2HZ LYS 47 9.048 -2.967 10.037 900 H ALA 48 H ALA 48 7.103 -2.324 2.678 901 HA ALA 48 HA ALA 48 6.809 -4.989 1.836 902 HB1 ALA 48 3HB ALA 48 6.953 -3.674 -0.510 903 HB2 ALA 48 1HB ALA 48 5.517 -3.700 0.515 904 HB3 ALA 48 2HB ALA 48 6.627 -2.330 0.583 905 H GLU 49 H GLU 49 9.377 -2.615 1.228 906 HA GLU 49 HA GLU 49 10.910 -4.276 -0.474 907 HE2 GLU 49 HE2 GLU 49 14.879 -1.379 -1.910 908 HB2 GLU 49 1HB GLU 49 11.228 -1.685 0.874 909 HB3 GLU 49 2HB GLU 49 12.744 -2.574 0.650 910 HG2 GLU 49 1HG GLU 49 11.104 -2.593 -1.748 911 HG3 GLU 49 2HG GLU 49 11.496 -0.955 -1.205 912 H GLU 50 H GLU 50 10.645 -3.997 2.979 913 HA GLU 50 HA GLU 50 13.090 -5.346 3.596 914 HE2 GLU 50 HE2 GLU 50 12.137 -2.647 8.519 915 HB2 GLU 50 1HB GLU 50 11.037 -3.997 5.027 916 HB3 GLU 50 2HB GLU 50 11.183 -5.625 5.707 917 HG2 GLU 50 1HG GLU 50 13.251 -5.258 6.551 918 HG3 GLU 50 2HG GLU 50 13.703 -4.160 5.239 919 H LEU 51 H LEU 51 9.672 -6.326 3.565 920 HA LEU 51 HA LEU 51 10.237 -9.048 4.208 921 HG LEU 51 HG LEU 51 8.008 -6.677 2.533 922 HB2 LEU 51 1HB LEU 51 7.872 -9.445 3.620 923 HB3 LEU 51 2HB LEU 51 8.100 -8.118 4.772 924 HD11 LEU 51 1HD1 LEU 51 5.893 -8.010 1.425 925 HD12 LEU 51 2HD1 LEU 51 7.020 -9.319 1.782 926 HD13 LEU 51 3HD1 LEU 51 7.531 -7.967 0.772 927 HD21 LEU 51 3HD2 LEU 51 5.695 -6.230 3.028 928 HD22 LEU 51 1HD2 LEU 51 6.567 -6.484 4.540 929 HD23 LEU 51 2HD2 LEU 51 5.542 -7.762 3.889 930 H PHE 52 H PHE 52 9.819 -7.231 1.241 931 HA PHE 52 HA PHE 52 9.430 -9.275 -0.586 932 HD1 PHE 52 HD2 PHE 52 8.817 -8.611 -3.198 933 HD2 PHE 52 HD1 PHE 52 12.673 -6.992 -2.400 934 HE1 PHE 52 HE2 PHE 52 9.526 -9.180 -5.485 935 HE2 PHE 52 HE1 PHE 52 13.386 -7.557 -4.686 936 HZ PHE 52 HZ PHE 52 11.813 -8.653 -6.231 937 HB2 PHE 52 1HB PHE 52 9.264 -6.986 -1.291 938 HB3 PHE 52 2HB PHE 52 10.947 -6.677 -0.861 939 H LYS 53 H LYS 53 12.294 -8.376 1.156 940 HA LYS 53 HA LYS 53 14.314 -9.444 -0.394 941 HB2 LYS 53 1HB LYS 53 14.385 -8.223 1.902 942 HB3 LYS 53 2HB LYS 53 14.289 -9.857 2.580 943 HG2 LYS 53 1HG LYS 53 16.544 -9.657 2.520 944 HG3 LYS 53 2HG LYS 53 16.285 -10.265 0.875 945 HD2 LYS 53 1HD LYS 53 15.964 -7.587 0.491 946 HD3 LYS 53 2HD LYS 53 17.172 -7.616 1.790 947 HE2 LYS 53 1HE LYS 53 17.680 -9.543 -0.376 948 HE3 LYS 53 2HE LYS 53 17.729 -7.845 -0.871 949 HZ1 LYS 53 3HZ LYS 53 19.772 -7.778 -0.052 950 HZ2 LYS 53 1HZ LYS 53 19.631 -9.321 0.628 951 HZ3 LYS 53 2HZ LYS 53 19.126 -7.962 1.500 952 H LEU 54 H LEU 54 12.597 -11.151 2.231 953 HA LEU 54 HA LEU 54 13.658 -13.692 1.446 954 HG LEU 54 HG LEU 54 13.061 -14.023 5.065 955 HB2 LEU 54 1HB LEU 54 11.736 -12.702 3.500 956 HB3 LEU 54 2HB LEU 54 11.714 -14.423 3.080 957 HD11 LEU 54 1HD1 LEU 54 15.308 -14.640 3.402 958 HD12 LEU 54 2HD1 LEU 54 13.861 -15.414 2.759 959 HD13 LEU 54 3HD1 LEU 54 14.351 -15.709 4.427 960 HD21 LEU 54 3HD2 LEU 54 14.673 -12.455 5.257 961 HD22 LEU 54 1HD2 LEU 54 13.761 -11.672 3.966 962 HD23 LEU 54 2HD2 LEU 54 15.194 -12.625 3.580 963 H ALA 55 H ALA 55 10.883 -11.825 0.613 964 HA ALA 55 HA ALA 55 9.046 -13.751 -0.152 965 HB1 ALA 55 3HB ALA 55 9.437 -11.312 -1.832 966 HB2 ALA 55 1HB ALA 55 7.942 -12.086 -1.306 967 HB3 ALA 55 2HB ALA 55 8.903 -11.154 -0.159 968 H GLU 56 H GLU 56 11.921 -12.612 -1.820 969 HA GLU 56 HA GLU 56 11.370 -13.856 -4.309 970 HE2 GLU 56 HE2 GLU 56 17.088 -11.291 -2.833 971 HB2 GLU 56 1HB GLU 56 13.583 -13.298 -4.933 972 HB3 GLU 56 2HB GLU 56 13.031 -11.990 -3.875 973 HG2 GLU 56 1HG GLU 56 14.171 -13.531 -2.024 974 HG3 GLU 56 2HG GLU 56 15.121 -14.034 -3.430 975 H GLU 57 H GLU 57 12.671 -14.980 -1.303 976 HA GLU 57 HA GLU 57 14.016 -17.278 -2.279 977 HE2 GLU 57 HE2 GLU 57 17.484 -19.071 0.362 978 HB2 GLU 57 1HB GLU 57 14.351 -16.223 -0.024 979 HB3 GLU 57 2HB GLU 57 12.792 -16.911 0.456 980 HG2 GLU 57 1HG GLU 57 14.143 -18.541 1.257 981 HG3 GLU 57 2HG GLU 57 13.925 -19.144 -0.393 982 H ARG 58 H ARG 58 10.794 -16.830 -0.834 983 HA ARG 58 HA ARG 58 10.045 -19.562 -1.332 984 HE ARG 58 HE ARG 58 10.677 -17.372 0.905 985 HB2 ARG 58 1HB ARG 58 7.742 -18.684 -0.637 986 HB3 ARG 58 2HB ARG 58 9.035 -18.632 0.571 987 HG2 ARG 58 1HG ARG 58 9.009 -16.183 -0.932 988 HG3 ARG 58 2HG ARG 58 7.400 -16.524 -0.277 989 HD2 ARG 58 1HD ARG 58 9.033 -15.185 1.192 990 HD3 ARG 58 2HD ARG 58 8.158 -16.535 1.928 991 HH11 ARG 58 1HH1 ARG 58 9.167 -15.703 3.562 992 HH12 ARG 58 2HH1 ARG 58 10.427 -16.087 4.688 993 HH21 ARG 58 1HH2 ARG 58 12.341 -17.882 2.378 994 HH22 ARG 58 2HH2 ARG 58 12.232 -17.325 4.014 995 H LEU 59 H LEU 59 10.133 -16.731 -3.174 996 HA LEU 59 HA LEU 59 7.951 -17.533 -4.935 997 HG LEU 59 HG LEU 59 7.594 -15.093 -3.423 998 HB2 LEU 59 1HB LEU 59 9.704 -15.105 -4.719 999 HB3 LEU 59 2HB LEU 59 8.762 -15.419 -6.186 1000 HD11 LEU 59 1HD1 LEU 59 6.665 -12.999 -4.805 1001 HD12 LEU 59 2HD1 LEU 59 8.243 -13.174 -5.571 1002 HD13 LEU 59 3HD1 LEU 59 8.133 -12.936 -3.828 1003 HD21 LEU 59 3HD2 LEU 59 5.546 -14.689 -5.068 1004 HD22 LEU 59 1HD2 LEU 59 5.973 -16.294 -4.472 1005 HD23 LEU 59 2HD2 LEU 59 6.482 -15.787 -6.083 1006 H LYS 60 H LYS 60 11.287 -16.422 -5.533 1007 HA LYS 60 HA LYS 60 11.501 -18.507 -7.607 1008 HB2 LYS 60 1HB LYS 60 13.354 -16.719 -8.408 1009 HB3 LYS 60 2HB LYS 60 11.673 -16.700 -8.967 1010 HG2 LYS 60 1HG LYS 60 12.372 -15.184 -6.495 1011 HG3 LYS 60 2HG LYS 60 12.833 -14.523 -8.074 1012 HD2 LYS 60 1HD LYS 60 10.066 -15.523 -7.919 1013 HD3 LYS 60 2HD LYS 60 10.421 -14.131 -6.880 1014 HE2 LYS 60 1HE LYS 60 11.579 -13.209 -9.074 1015 HE3 LYS 60 2HE LYS 60 10.462 -14.342 -9.851 1016 HZ1 LYS 60 3HZ LYS 60 8.614 -13.221 -8.993 1017 HZ2 LYS 60 1HZ LYS 60 9.649 -11.986 -9.510 1018 HZ3 LYS 60 2HZ LYS 60 9.532 -12.358 -7.864 1019 H LYS 61 H LYS 61 13.956 -16.322 -6.302 1020 HA LYS 61 HA LYS 61 15.168 -18.049 -4.488 1021 HB2 LYS 61 1HB LYS 61 15.598 -18.823 -7.199 1022 HB3 LYS 61 2HB LYS 61 17.130 -18.216 -6.550 1023 HG2 LYS 61 1HG LYS 61 15.719 -20.022 -4.728 1024 HG3 LYS 61 2HG LYS 61 16.189 -20.763 -6.269 1025 HD2 LYS 61 1HD LYS 61 18.491 -19.579 -5.787 1026 HD3 LYS 61 2HD LYS 61 17.907 -19.616 -4.115 1027 HE2 LYS 61 1HE LYS 61 18.100 -21.872 -3.940 1028 HE3 LYS 61 2HE LYS 61 17.630 -22.135 -5.626 1029 HZ1 LYS 61 3HZ LYS 61 20.271 -21.033 -4.856 1030 HZ2 LYS 61 1HZ LYS 61 19.798 -21.631 -6.366 1031 HZ3 LYS 61 2HZ LYS 61 19.991 -22.689 -5.061 1032 H LEU 62 H LEU 62 16.588 -16.208 -7.191 1033 HA LEU 62 HA LEU 62 18.045 -14.456 -7.217 1034 HG LEU 62 HG LEU 62 14.769 -13.856 -6.463 1035 HB2 LEU 62 1HB LEU 62 16.436 -13.542 -4.828 1036 HB3 LEU 62 2HB LEU 62 17.407 -12.530 -5.911 1037 HD11 LEU 62 1HD1 LEU 62 13.910 -11.768 -6.516 1038 HD12 LEU 62 2HD1 LEU 62 15.377 -11.060 -7.192 1039 HD13 LEU 62 3HD1 LEU 62 15.287 -11.423 -5.469 1040 HD21 LEU 62 3HD2 LEU 62 15.075 -12.900 -8.794 1041 HD22 LEU 62 1HD2 LEU 62 15.984 -14.364 -8.416 1042 HD23 LEU 62 2HD2 LEU 62 16.796 -12.797 -8.416 1043 HC1 HLT 101 HC1 HLT 101 -1.276 2.027 -1.072 Start of MODEL 19 1 HA MET 1 HA MET 1 -17.287 20.776 -0.491 2 H1 MET 1 1H MET 1 -17.365 23.484 -0.681 3 HB2 MET 1 1HB MET 1 -16.685 22.579 -2.829 4 HB3 MET 1 2HB MET 1 -16.714 20.818 -2.998 5 HG2 MET 1 1HG MET 1 -19.052 20.858 -2.061 6 HG3 MET 1 2HG MET 1 -18.985 22.616 -2.206 7 HE1 MET 1 3HE MET 1 -21.161 20.434 -4.744 8 HE2 MET 1 1HE MET 1 -19.783 19.335 -4.803 9 HE3 MET 1 2HE MET 1 -20.398 19.895 -3.248 10 H LYS 2 H LYS 2 -14.568 22.845 -1.478 11 HA LYS 2 HA LYS 2 -12.317 22.516 -1.445 12 HB2 LYS 2 1HB LYS 2 -13.354 20.928 0.758 13 HB3 LYS 2 2HB LYS 2 -11.877 20.224 0.079 14 HG2 LYS 2 1HG LYS 2 -11.035 21.614 1.713 15 HG3 LYS 2 2HG LYS 2 -10.938 22.633 0.265 16 HD2 LYS 2 1HD LYS 2 -13.230 23.539 0.920 17 HD3 LYS 2 2HD LYS 2 -12.971 22.741 2.482 18 HE2 LYS 2 1HE LYS 2 -10.614 24.220 1.815 19 HE3 LYS 2 2HE LYS 2 -12.025 25.269 1.621 20 HZ1 LYS 2 3HZ LYS 2 -11.076 23.893 4.049 21 HZ2 LYS 2 1HZ LYS 2 -12.695 24.362 3.911 22 HZ3 LYS 2 2HZ LYS 2 -11.469 25.524 3.835 23 H LYS 3 H LYS 3 -10.618 21.117 -2.262 24 HA LYS 3 HA LYS 3 -11.011 18.530 -3.232 25 HB2 LYS 3 1HB LYS 3 -12.130 20.636 -4.897 26 HB3 LYS 3 2HB LYS 3 -10.900 19.697 -5.760 27 HG2 LYS 3 1HG LYS 3 -12.278 17.672 -4.688 28 HG3 LYS 3 2HG LYS 3 -13.569 18.883 -4.783 29 HD2 LYS 3 1HD LYS 3 -13.834 18.258 -6.914 30 HD3 LYS 3 2HD LYS 3 -12.306 19.096 -7.233 31 HE2 LYS 3 1HE LYS 3 -11.308 16.767 -6.373 32 HE3 LYS 3 2HE LYS 3 -12.868 16.194 -6.983 33 HZ1 LYS 3 3HZ LYS 3 -10.661 17.460 -8.467 34 HZ2 LYS 3 1HZ LYS 3 -12.240 17.540 -9.068 35 HZ3 LYS 3 2HZ LYS 3 -11.506 16.038 -8.819 36 H LEU 4 H LEU 4 -9.438 21.639 -3.658 37 HA LEU 4 HA LEU 4 -7.210 20.944 -5.124 38 HG LEU 4 HG LEU 4 -7.062 24.593 -4.683 39 HB2 LEU 4 1HB LEU 4 -7.809 22.987 -3.055 40 HB3 LEU 4 2HB LEU 4 -6.103 22.695 -3.434 41 HD11 LEU 4 1HD1 LEU 4 -5.859 24.152 -6.564 42 HD12 LEU 4 2HD1 LEU 4 -6.534 22.534 -6.754 43 HD13 LEU 4 3HD1 LEU 4 -5.284 22.831 -5.546 44 HD21 LEU 4 3HD2 LEU 4 -8.685 22.578 -6.211 45 HD22 LEU 4 1HD2 LEU 4 -8.755 24.339 -6.292 46 HD23 LEU 4 2HD2 LEU 4 -9.350 23.499 -4.860 47 H ARG 5 H ARG 5 -7.248 21.160 -1.560 48 HA ARG 5 HA ARG 5 -4.833 19.666 -1.305 49 HE ARG 5 HE ARG 5 -8.300 22.861 1.736 50 HB2 ARG 5 1HB ARG 5 -5.408 19.667 1.142 51 HB3 ARG 5 2HB ARG 5 -5.330 21.269 0.392 52 HG2 ARG 5 1HG ARG 5 -7.726 21.425 0.297 53 HG3 ARG 5 2HG ARG 5 -7.886 19.754 0.865 54 HD2 ARG 5 1HD ARG 5 -7.891 20.472 2.973 55 HD3 ARG 5 2HD ARG 5 -6.260 21.113 2.734 56 HH11 ARG 5 1HH1 ARG 5 -6.541 21.874 4.574 57 HH12 ARG 5 2HH1 ARG 5 -6.780 23.377 5.404 58 HH21 ARG 5 1HH2 ARG 5 -8.623 24.843 2.819 59 HH22 ARG 5 2HH2 ARG 5 -7.965 25.064 4.405 60 H GLU 6 H GLU 6 -8.262 18.908 -1.016 61 HA GLU 6 HA GLU 6 -8.134 16.397 0.139 62 HE2 GLU 6 HE2 GLU 6 -12.317 13.865 -2.924 63 HB2 GLU 6 1HB GLU 6 -10.219 17.658 -0.353 64 HB3 GLU 6 2HB GLU 6 -10.021 17.245 -2.063 65 HG2 GLU 6 1HG GLU 6 -9.915 14.904 -0.336 66 HG3 GLU 6 2HG GLU 6 -11.430 15.805 -0.187 67 H GLU 7 H GLU 7 -7.312 17.391 -3.090 68 HA GLU 7 HA GLU 7 -7.434 14.976 -4.458 69 HE2 GLU 7 HE2 GLU 7 -7.945 15.673 -8.950 70 HB2 GLU 7 1HB GLU 7 -5.668 17.396 -4.728 71 HB3 GLU 7 2HB GLU 7 -5.446 15.989 -5.779 72 HG2 GLU 7 1HG GLU 7 -8.224 16.717 -5.704 73 HG3 GLU 7 2HG GLU 7 -7.230 18.120 -6.119 74 H ALA 8 H ALA 8 -5.112 16.126 -2.126 75 HA ALA 8 HA ALA 8 -3.126 14.139 -2.696 76 HB1 ALA 8 3HB ALA 8 -2.569 14.991 -0.162 77 HB2 ALA 8 1HB ALA 8 -2.002 15.764 -1.643 78 HB3 ALA 8 2HB ALA 8 -3.446 16.368 -0.829 79 H ALA 9 H ALA 9 -5.922 14.367 -0.629 80 HA ALA 9 HA ALA 9 -5.271 12.216 1.109 81 HB1 ALA 9 3HB ALA 9 -7.450 14.047 0.748 82 HB2 ALA 9 1HB ALA 9 -8.063 12.408 0.971 83 HB3 ALA 9 2HB ALA 9 -6.992 13.121 2.178 84 H LYS 10 H LYS 10 -6.981 12.450 -1.960 85 HA LYS 10 HA LYS 10 -8.133 9.921 -2.060 86 HB2 LYS 10 1HB LYS 10 -6.927 11.375 -4.421 87 HB3 LYS 10 2HB LYS 10 -8.261 10.210 -4.440 88 HG2 LYS 10 1HG LYS 10 -9.420 11.953 -2.863 89 HG3 LYS 10 2HG LYS 10 -8.255 13.067 -3.601 90 HD2 LYS 10 1HD LYS 10 -9.713 11.292 -5.470 91 HD3 LYS 10 2HD LYS 10 -10.678 12.534 -4.652 92 HE2 LYS 10 1HE LYS 10 -9.513 14.287 -5.620 93 HE3 LYS 10 2HE LYS 10 -8.076 13.295 -5.902 94 HZ1 LYS 10 3HZ LYS 10 -9.394 13.869 -7.929 95 HZ2 LYS 10 1HZ LYS 10 -10.631 12.872 -7.345 96 HZ3 LYS 10 2HZ LYS 10 -9.117 12.214 -7.712 97 H LEU 11 H LEU 11 -4.824 10.889 -2.415 98 HA LEU 11 HA LEU 11 -3.730 8.818 -3.875 99 HG LEU 11 HG LEU 11 -3.164 11.830 -3.104 100 HB2 LEU 11 1HB LEU 11 -2.524 10.117 -1.426 101 HB3 LEU 11 2HB LEU 11 -1.649 9.252 -2.701 102 HD11 LEU 11 1HD1 LEU 11 -1.209 12.113 -1.643 103 HD12 LEU 11 2HD1 LEU 11 -0.995 12.901 -3.205 104 HD13 LEU 11 3HD1 LEU 11 -0.194 11.366 -2.876 105 HD21 LEU 11 3HD2 LEU 11 -1.095 11.019 -5.007 106 HD22 LEU 11 1HD2 LEU 11 -2.707 11.675 -5.290 107 HD23 LEU 11 2HD2 LEU 11 -2.501 9.953 -4.970 108 H PHE 12 H PHE 12 -4.425 8.924 -0.396 109 HA PHE 12 HA PHE 12 -3.464 6.278 0.091 110 HD1 PHE 12 HD2 PHE 12 -1.860 6.568 1.300 111 HD2 PHE 12 HD1 PHE 12 -4.151 9.711 3.028 112 HE1 PHE 12 HE2 PHE 12 0.212 7.657 2.057 113 HE2 PHE 12 HE1 PHE 12 -2.082 10.806 3.788 114 HZ PHE 12 HZ PHE 12 0.103 9.778 3.303 115 HB2 PHE 12 1HB PHE 12 -5.231 8.111 1.732 116 HB3 PHE 12 2HB PHE 12 -4.605 6.564 2.307 117 H GLU 13 H GLU 13 -6.493 7.655 -0.893 118 HA GLU 13 HA GLU 13 -8.258 5.628 -0.141 119 HE2 GLU 13 HE2 GLU 13 -11.825 9.052 -2.927 120 HB2 GLU 13 1HB GLU 13 -8.408 8.002 -1.584 121 HB3 GLU 13 2HB GLU 13 -8.889 6.758 -2.747 122 HG2 GLU 13 1HG GLU 13 -10.458 5.914 -0.879 123 HG3 GLU 13 2HG GLU 13 -10.184 7.506 -0.158 124 H GLU 14 H GLU 14 -6.122 5.904 -2.925 125 HA GLU 14 HA GLU 14 -7.152 3.588 -4.254 126 HE2 GLU 14 HE2 GLU 14 -4.812 6.666 -8.518 127 HB2 GLU 14 1HB GLU 14 -4.494 4.986 -4.639 128 HB3 GLU 14 2HB GLU 14 -5.257 3.850 -5.762 129 HG2 GLU 14 1HG GLU 14 -7.231 5.639 -5.598 130 HG3 GLU 14 2HG GLU 14 -5.857 6.696 -5.246 131 H TRP 15 H TRP 15 -4.538 4.238 -2.005 132 HA TRP 15 HA TRP 15 -3.056 1.910 -2.237 133 HD1 TRP 15 HD1 TRP 15 -2.511 4.424 -2.902 134 HE1 TRP 15 HE1 TRP 15 -0.261 5.669 -3.015 135 HE3 TRP 15 HE3 TRP 15 -0.696 3.247 1.731 136 HZ2 TRP 15 HZ2 TRP 15 1.986 6.096 -1.360 137 HZ3 TRP 15 HZ3 TRP 15 1.511 4.113 2.388 138 HH2 TRP 15 HH2 TRP 15 2.823 5.506 0.873 139 HB2 TRP 15 1HB TRP 15 -3.662 3.667 0.145 140 HB3 TRP 15 2HB TRP 15 -2.573 2.284 0.255 141 H LYS 16 H LYS 16 -5.759 2.520 0.010 142 HA LYS 16 HA LYS 16 -5.872 -0.168 0.928 143 HB2 LYS 16 1HB LYS 16 -7.986 0.490 1.988 144 HB3 LYS 16 2HB LYS 16 -6.708 1.680 2.287 145 HG2 LYS 16 1HG LYS 16 -7.919 3.311 1.398 146 HG3 LYS 16 2HG LYS 16 -8.168 2.376 -0.086 147 HD2 LYS 16 1HD LYS 16 -10.089 1.280 0.812 148 HD3 LYS 16 2HD LYS 16 -9.760 1.921 2.431 149 HE2 LYS 16 1HE LYS 16 -10.005 4.251 1.354 150 HE3 LYS 16 2HE LYS 16 -10.749 3.382 0.004 151 HZ1 LYS 16 3HZ LYS 16 -12.132 2.343 1.987 152 HZ2 LYS 16 1HZ LYS 16 -12.591 3.783 1.228 153 HZ3 LYS 16 2HZ LYS 16 -11.762 3.830 2.701 154 H LYS 17 H LYS 17 -7.194 1.497 -1.794 155 HA LYS 17 HA LYS 17 -9.350 -0.275 -2.337 156 HB2 LYS 17 1HB LYS 17 -8.273 2.107 -3.447 157 HB3 LYS 17 2HB LYS 17 -8.349 0.905 -4.745 158 HG2 LYS 17 1HG LYS 17 -10.640 0.758 -4.685 159 HG3 LYS 17 2HG LYS 17 -10.728 1.284 -2.994 160 HD2 LYS 17 1HD LYS 17 -9.610 3.471 -4.243 161 HD3 LYS 17 2HD LYS 17 -10.758 2.864 -5.449 162 HE2 LYS 17 1HE LYS 17 -12.148 2.724 -3.031 163 HE3 LYS 17 2HE LYS 17 -11.257 4.251 -2.959 164 HZ1 LYS 17 3HZ LYS 17 -12.318 5.055 -4.846 165 HZ2 LYS 17 1HZ LYS 17 -13.561 4.256 -4.021 166 HZ3 LYS 17 2HZ LYS 17 -12.822 3.522 -5.354 167 H LEU 18 H LEU 18 -6.095 0.033 -3.760 168 HA LEU 18 HA LEU 18 -6.229 -2.106 -5.521 169 HG LEU 18 HG LEU 18 -5.148 0.493 -5.598 170 HB2 LEU 18 1HB LEU 18 -3.815 -1.162 -3.962 171 HB3 LEU 18 2HB LEU 18 -3.792 -2.137 -5.442 172 HD11 LEU 18 1HD1 LEU 18 -2.449 0.997 -6.175 173 HD12 LEU 18 2HD1 LEU 18 -2.480 0.238 -4.585 174 HD13 LEU 18 3HD1 LEU 18 -3.428 1.694 -4.885 175 HD21 LEU 18 3HD2 LEU 18 -3.115 -0.367 -7.542 176 HD22 LEU 18 1HD2 LEU 18 -4.736 0.278 -7.799 177 HD23 LEU 18 2HD2 LEU 18 -4.518 -1.425 -7.393 178 H ALA 19 H ALA 19 -5.570 -2.062 -2.073 179 HA ALA 19 HA ALA 19 -4.602 -4.679 -1.782 180 HB1 ALA 19 3HB ALA 19 -6.047 -2.849 0.115 181 HB2 ALA 19 1HB ALA 19 -5.452 -4.440 0.590 182 HB3 ALA 19 2HB ALA 19 -4.321 -3.203 0.037 183 H GLU 20 H GLU 20 -7.864 -3.410 -2.022 184 HA GLU 20 HA GLU 20 -9.305 -5.611 -1.102 185 HE2 GLU 20 HE2 GLU 20 -13.093 -1.804 -0.248 186 HB2 GLU 20 1HB GLU 20 -10.135 -3.821 -3.392 187 HB3 GLU 20 2HB GLU 20 -11.189 -4.712 -2.283 188 HG2 GLU 20 1HG GLU 20 -9.512 -3.029 -0.725 189 HG3 GLU 20 2HG GLU 20 -10.199 -2.069 -2.043 190 H GLU 21 H GLU 21 -8.238 -4.847 -4.409 191 HA GLU 21 HA GLU 21 -9.242 -7.291 -5.498 192 HE2 GLU 21 HE2 GLU 21 -11.737 -5.880 -8.727 193 HB2 GLU 21 1HB GLU 21 -7.174 -5.425 -6.680 194 HB3 GLU 21 2HB GLU 21 -8.149 -6.620 -7.549 195 HG2 GLU 21 1HG GLU 21 -9.835 -4.790 -6.083 196 HG3 GLU 21 2HG GLU 21 -8.732 -3.927 -7.163 197 H ALA 22 H ALA 22 -5.981 -6.093 -4.731 198 HA ALA 22 HA ALA 22 -4.529 -8.331 -5.507 199 HB1 ALA 22 3HB ALA 22 -4.039 -6.215 -3.443 200 HB2 ALA 22 1HB ALA 22 -2.895 -7.536 -3.688 201 HB3 ALA 22 2HB ALA 22 -3.269 -6.434 -5.015 202 H ALA 23 H ALA 23 -6.424 -7.763 -2.630 203 HA ALA 23 HA ALA 23 -5.381 -9.931 -1.105 204 HB1 ALA 23 3HB ALA 23 -7.735 -8.122 -0.881 205 HB2 ALA 23 1HB ALA 23 -7.694 -9.594 0.091 206 HB3 ALA 23 2HB ALA 23 -6.409 -8.395 0.250 207 H LYS 24 H LYS 24 -8.440 -9.526 -2.894 208 HA LYS 24 HA LYS 24 -9.330 -12.172 -2.545 209 HB2 LYS 24 1HB LYS 24 -10.847 -11.687 -4.464 210 HB3 LYS 24 2HB LYS 24 -10.888 -10.456 -3.190 211 HG2 LYS 24 1HG LYS 24 -9.417 -9.016 -4.515 212 HG3 LYS 24 2HG LYS 24 -9.391 -10.243 -5.794 213 HD2 LYS 24 1HD LYS 24 -10.993 -8.575 -6.416 214 HD3 LYS 24 2HD LYS 24 -11.876 -10.039 -5.948 215 HE2 LYS 24 1HE LYS 24 -11.510 -8.485 -3.597 216 HE3 LYS 24 2HE LYS 24 -12.087 -7.405 -4.876 217 HZ1 LYS 24 3HZ LYS 24 -13.991 -8.745 -5.213 218 HZ2 LYS 24 1HZ LYS 24 -13.860 -8.518 -3.541 219 HZ3 LYS 24 2HZ LYS 24 -13.392 -9.989 -4.234 220 H LEU 25 H LEU 25 -7.268 -10.677 -4.959 221 HA LEU 25 HA LEU 25 -7.235 -12.958 -6.697 222 HG LEU 25 HG LEU 25 -7.778 -10.762 -8.245 223 HB2 LEU 25 1HB LEU 25 -6.032 -10.281 -6.613 224 HB3 LEU 25 2HB LEU 25 -5.002 -11.524 -7.342 225 HD11 LEU 25 1HD1 LEU 25 -5.749 -9.220 -8.683 226 HD12 LEU 25 2HD1 LEU 25 -6.808 -9.648 -10.027 227 HD13 LEU 25 3HD1 LEU 25 -5.259 -10.468 -9.831 228 HD21 LEU 25 3HD2 LEU 25 -6.468 -13.202 -8.540 229 HD22 LEU 25 1HD2 LEU 25 -6.226 -12.364 -10.073 230 HD23 LEU 25 2HD2 LEU 25 -7.858 -12.622 -9.457 231 H LEU 26 H LEU 26 -5.144 -11.672 -4.164 232 HA LEU 26 HA LEU 26 -2.898 -13.233 -4.472 233 HG LEU 26 HG LEU 26 -2.206 -10.998 -3.598 234 HB2 LEU 26 1HB LEU 26 -4.225 -11.852 -2.236 235 HB3 LEU 26 2HB LEU 26 -3.148 -13.178 -1.762 236 HD11 LEU 26 1HD1 LEU 26 -1.467 -10.744 -0.781 237 HD12 LEU 26 2HD1 LEU 26 -3.172 -10.434 -1.108 238 HD13 LEU 26 3HD1 LEU 26 -1.930 -9.509 -1.952 239 HD21 LEU 26 3HD2 LEU 26 -0.028 -11.633 -2.518 240 HD22 LEU 26 1HD2 LEU 26 -0.763 -12.884 -3.520 241 HD23 LEU 26 2HD2 LEU 26 -0.877 -12.983 -1.762 242 H GLU 27 H GLU 27 -5.832 -14.040 -2.623 243 HA GLU 27 HA GLU 27 -4.886 -16.772 -2.272 244 HE2 GLU 27 HE2 GLU 27 -7.655 -14.168 2.445 245 HB2 GLU 27 1HB GLU 27 -7.538 -15.648 -1.369 246 HB3 GLU 27 2HB GLU 27 -6.677 -17.060 -0.739 247 HG2 GLU 27 1HG GLU 27 -4.905 -15.579 0.125 248 HG3 GLU 27 2HG GLU 27 -5.836 -14.186 -0.443 249 H GLY 28 H GLY 28 -6.013 -15.358 -4.832 250 HA2 GLY 28 1HA GLY 28 -8.392 -16.631 -5.580 251 HA3 GLY 28 2HA GLY 28 -7.176 -16.025 -6.694 252 H GLY 29 H GLY 29 -5.300 -17.972 -5.110 253 HA2 GLY 29 1HA GLY 29 -5.579 -20.523 -5.125 254 HA3 GLY 29 2HA GLY 29 -5.948 -20.278 -6.826 255 H GLY 30 H GLY 30 -3.471 -18.788 -4.752 256 HA2 GLY 30 1HA GLY 30 -1.316 -20.292 -5.830 257 HA3 GLY 30 2HA GLY 30 -1.462 -18.754 -6.666 258 H GLY 31 H GLY 31 -1.990 -16.927 -4.839 259 HA2 GLY 31 1HA GLY 31 0.438 -16.451 -3.561 260 HA3 GLY 31 2HA GLY 31 -1.074 -15.643 -3.173 261 H GLY 32 H GLY 32 1.362 -17.316 -1.833 262 HA2 GLY 32 1HA GLY 32 -0.013 -19.160 -0.149 263 HA3 GLY 32 2HA GLY 32 1.628 -18.574 0.077 264 H GLY 33 H GLY 33 1.931 -17.547 1.930 265 HA2 GLY 33 1HA GLY 33 1.553 -15.782 3.452 266 HA3 GLY 33 2HA GLY 33 -0.100 -15.662 2.866 267 H GLY 34 H GLY 34 -1.515 -16.154 4.396 268 HA2 GLY 34 1HA GLY 34 -2.509 -17.181 6.191 269 HA3 GLY 34 2HA GLY 34 -1.686 -18.637 5.650 270 H GLY 35 H GLY 35 -1.560 -15.891 7.805 271 HA2 GLY 35 1HA GLY 35 -0.620 -16.740 10.046 272 HA3 GLY 35 2HA GLY 35 0.833 -17.018 9.098 273 H GLU 36 H GLU 36 1.673 -15.554 10.849 274 HA GLU 36 HA GLU 36 0.991 -12.882 11.112 275 HE2 GLU 36 HE2 GLU 36 4.202 -12.660 15.121 276 HB2 GLU 36 1HB GLU 36 2.504 -13.870 12.674 277 HB3 GLU 36 2HB GLU 36 3.661 -14.259 11.391 278 HG2 GLU 36 1HG GLU 36 4.424 -12.097 11.210 279 HG3 GLU 36 2HG GLU 36 2.932 -11.413 11.871 280 H LEU 37 H LEU 37 2.877 -14.475 8.639 281 HA LEU 37 HA LEU 37 4.119 -12.232 7.503 282 HG LEU 37 HG LEU 37 4.046 -13.034 4.511 283 HB2 LEU 37 1HB LEU 37 4.666 -14.613 7.016 284 HB3 LEU 37 2HB LEU 37 3.168 -14.709 6.075 285 HD11 LEU 37 1HD1 LEU 37 5.486 -11.781 5.980 286 HD12 LEU 37 2HD1 LEU 37 6.434 -12.419 4.637 287 HD13 LEU 37 3HD1 LEU 37 6.522 -13.188 6.222 288 HD21 LEU 37 3HD2 LEU 37 5.540 -14.469 3.371 289 HD22 LEU 37 1HD2 LEU 37 4.432 -15.518 4.255 290 HD23 LEU 37 2HD2 LEU 37 6.061 -15.239 4.871 291 H MET 38 H MET 38 1.164 -13.917 6.420 292 HA MET 38 HA MET 38 0.451 -11.983 4.501 293 HB2 MET 38 1HB MET 38 -0.415 -14.293 4.512 294 HB3 MET 38 2HB MET 38 -1.340 -13.922 5.975 295 HG2 MET 38 1HG MET 38 -2.037 -11.937 4.114 296 HG3 MET 38 2HG MET 38 -2.020 -13.465 3.228 297 HE1 MET 38 3HE MET 38 -2.942 -12.991 7.117 298 HE2 MET 38 1HE MET 38 -3.366 -11.514 6.251 299 HE3 MET 38 2HE MET 38 -4.637 -12.547 6.905 300 H LYS 39 H LYS 39 0.015 -12.133 7.930 301 HA LYS 39 HA LYS 39 -2.179 -10.461 8.294 302 HB2 LYS 39 1HB LYS 39 -0.870 -11.800 10.036 303 HB3 LYS 39 2HB LYS 39 0.252 -10.429 10.076 304 HG2 LYS 39 1HG LYS 39 -2.445 -9.478 10.344 305 HG3 LYS 39 2HG LYS 39 -2.120 -10.752 11.533 306 HD2 LYS 39 1HD LYS 39 -0.570 -9.519 12.653 307 HD3 LYS 39 2HD LYS 39 -0.011 -8.706 11.183 308 HE2 LYS 39 1HE LYS 39 -1.143 -6.908 11.880 309 HE3 LYS 39 2HE LYS 39 -2.610 -7.808 11.470 310 HZ1 LYS 39 3HZ LYS 39 -2.587 -6.908 13.760 311 HZ2 LYS 39 1HZ LYS 39 -1.290 -7.931 14.125 312 HZ3 LYS 39 2HZ LYS 39 -2.791 -8.587 13.702 313 H LEU 40 H LEU 40 1.086 -9.718 7.365 314 HA LEU 40 HA LEU 40 0.962 -6.925 7.954 315 HG LEU 40 HG LEU 40 3.275 -8.150 8.903 316 HB2 LEU 40 1HB LEU 40 2.830 -8.764 6.566 317 HB3 LEU 40 2HB LEU 40 2.905 -7.050 6.116 318 HD11 LEU 40 1HD1 LEU 40 5.219 -8.750 7.809 319 HD12 LEU 40 2HD1 LEU 40 5.623 -7.152 8.433 320 HD13 LEU 40 3HD1 LEU 40 5.175 -7.348 6.739 321 HD21 LEU 40 3HD2 LEU 40 2.998 -6.078 9.641 322 HD22 LEU 40 1HD2 LEU 40 2.571 -5.559 8.010 323 HD23 LEU 40 2HD2 LEU 40 4.251 -5.500 8.542 324 H CYS 41 H CYS 41 0.052 -8.927 5.261 325 HA CYS 41 HA CYS 41 -0.059 -6.931 3.269 326 HG CYS 41 HG CYS 41 -3.028 -9.308 1.475 327 HB2 CYS 41 1HB CYS 41 -0.063 -9.249 2.652 328 HB3 CYS 41 2HB CYS 41 -1.557 -9.539 3.558 329 H GLU 42 H GLU 42 -2.400 -8.065 5.650 330 HA GLU 42 HA GLU 42 -4.569 -6.509 4.642 331 HE2 GLU 42 HE2 GLU 42 -6.236 -10.998 5.527 332 HB2 GLU 42 1HB GLU 42 -4.261 -8.549 6.515 333 HB3 GLU 42 2HB GLU 42 -4.764 -7.145 7.469 334 HG2 GLU 42 1HG GLU 42 -6.841 -7.754 6.946 335 HG3 GLU 42 2HG GLU 42 -6.492 -7.030 5.369 336 H GLU 43 H GLU 43 -1.916 -5.907 6.785 337 HA GLU 43 HA GLU 43 -2.921 -3.756 8.263 338 HE2 GLU 43 HE2 GLU 43 -2.210 -3.944 11.856 339 HB2 GLU 43 1HB GLU 43 -0.102 -4.327 7.320 340 HB3 GLU 43 2HB GLU 43 -0.525 -3.087 8.510 341 HG2 GLU 43 1HG GLU 43 -1.477 -5.847 9.037 342 HG3 GLU 43 2HG GLU 43 0.256 -5.530 9.200 343 H ALA 44 H ALA 44 -1.744 -3.947 4.988 344 HA ALA 44 HA ALA 44 -1.135 -1.316 4.419 345 HB1 ALA 44 3HB ALA 44 -1.835 -3.676 2.910 346 HB2 ALA 44 1HB ALA 44 -2.472 -2.216 2.154 347 HB3 ALA 44 2HB ALA 44 -0.747 -2.354 2.491 348 H ALA 45 H ALA 45 -4.317 -2.878 4.449 349 HA ALA 45 HA ALA 45 -5.715 -0.517 3.630 350 HB1 ALA 45 3HB ALA 45 -6.353 -3.278 4.133 351 HB2 ALA 45 1HB ALA 45 -7.541 -2.215 4.891 352 HB3 ALA 45 2HB ALA 45 -7.216 -2.085 3.162 353 H LYS 46 H LYS 46 -4.590 -1.784 6.633 354 HA LYS 46 HA LYS 46 -6.410 -0.404 8.338 355 HB2 LYS 46 1HB LYS 46 -4.339 -2.296 8.635 356 HB3 LYS 46 2HB LYS 46 -3.868 -0.887 9.600 357 HG2 LYS 46 1HG LYS 46 -5.671 -1.071 11.027 358 HG3 LYS 46 2HG LYS 46 -6.633 -1.978 9.846 359 HD2 LYS 46 1HD LYS 46 -4.250 -3.458 10.433 360 HD3 LYS 46 2HD LYS 46 -5.045 -2.996 11.949 361 HE2 LYS 46 1HE LYS 46 -5.868 -5.160 11.179 362 HE3 LYS 46 2HE LYS 46 -7.152 -3.943 11.138 363 HZ1 LYS 46 3HZ LYS 46 -5.597 -4.316 8.696 364 HZ2 LYS 46 1HZ LYS 46 -7.241 -3.965 8.889 365 HZ3 LYS 46 2HZ LYS 46 -6.681 -5.546 9.114 366 H LYS 47 H LYS 47 -3.096 0.249 7.244 367 HA LYS 47 HA LYS 47 -2.775 2.664 8.673 368 HB2 LYS 47 1HB LYS 47 -1.409 1.388 6.329 369 HB3 LYS 47 2HB LYS 47 -1.034 3.068 6.747 370 HG2 LYS 47 1HG LYS 47 0.557 2.115 8.021 371 HG3 LYS 47 2HG LYS 47 -0.781 1.933 9.168 372 HD2 LYS 47 1HD LYS 47 -0.672 -0.246 7.232 373 HD3 LYS 47 2HD LYS 47 0.814 -0.100 8.188 374 HE2 LYS 47 1HE LYS 47 -1.620 0.179 9.792 375 HE3 LYS 47 2HE LYS 47 -1.486 -1.385 8.976 376 HZ1 LYS 47 3HZ LYS 47 0.861 -1.440 9.907 377 HZ2 LYS 47 1HZ LYS 47 -0.405 -1.672 11.006 378 HZ3 LYS 47 2HZ LYS 47 0.380 -0.177 10.924 379 H ALA 48 H ALA 48 -3.463 2.129 5.212 380 HA ALA 48 HA ALA 48 -3.842 4.762 4.460 381 HB1 ALA 48 3HB ALA 48 -3.778 3.303 2.683 382 HB2 ALA 48 1HB ALA 48 -4.901 2.168 3.433 383 HB3 ALA 48 2HB ALA 48 -5.498 3.685 2.757 384 H GLU 49 H GLU 49 -6.243 2.471 5.732 385 HA GLU 49 HA GLU 49 -8.431 4.261 5.593 386 HE2 GLU 49 HE2 GLU 49 -12.059 0.112 7.020 387 HB2 GLU 49 1HB GLU 49 -8.652 1.794 5.741 388 HB3 GLU 49 2HB GLU 49 -8.075 1.874 7.413 389 HG2 GLU 49 1HG GLU 49 -10.042 2.608 8.219 390 HG3 GLU 49 2HG GLU 49 -10.367 3.605 6.793 391 H GLU 50 H GLU 50 -6.168 3.413 8.180 392 HA GLU 50 HA GLU 50 -7.375 4.850 10.252 393 HE2 GLU 50 HE2 GLU 50 -3.561 3.553 13.723 394 HB2 GLU 50 1HB GLU 50 -4.648 3.796 9.699 395 HB3 GLU 50 2HB GLU 50 -4.803 5.017 10.973 396 HG2 GLU 50 1HG GLU 50 -6.861 3.238 11.509 397 HG3 GLU 50 2HG GLU 50 -5.513 2.211 10.998 398 H LEU 51 H LEU 51 -4.818 5.841 7.986 399 HA LEU 51 HA LEU 51 -4.625 8.491 8.996 400 HG LEU 51 HG LEU 51 -2.804 6.353 8.455 401 HB2 LEU 51 1HB LEU 51 -3.853 7.528 6.240 402 HB3 LEU 51 2HB LEU 51 -3.225 8.938 7.109 403 HD11 LEU 51 1HD1 LEU 51 -1.406 5.360 6.979 404 HD12 LEU 51 2HD1 LEU 51 -0.899 6.887 6.259 405 HD13 LEU 51 3HD1 LEU 51 -2.449 6.175 5.813 406 HD21 LEU 51 3HD2 LEU 51 -1.773 8.973 8.506 407 HD22 LEU 51 1HD2 LEU 51 -0.464 7.922 7.965 408 HD23 LEU 51 2HD2 LEU 51 -1.284 7.593 9.492 409 H PHE 52 H PHE 52 -6.315 7.044 6.237 410 HA PHE 52 HA PHE 52 -7.304 9.418 5.121 411 HD1 PHE 52 HD2 PHE 52 -8.672 9.932 3.433 412 HD2 PHE 52 HD1 PHE 52 -10.425 6.115 4.126 413 HE1 PHE 52 HE2 PHE 52 -10.706 10.656 2.253 414 HE2 PHE 52 HE1 PHE 52 -12.462 6.833 2.945 415 HZ PHE 52 HZ PHE 52 -12.604 9.106 2.008 416 HB2 PHE 52 1HB PHE 52 -7.377 7.383 3.848 417 HB3 PHE 52 2HB PHE 52 -8.382 6.596 5.067 418 H LYS 53 H LYS 53 -8.522 7.369 7.705 419 HA LYS 53 HA LYS 53 -11.096 8.326 7.988 420 HB2 LYS 53 1HB LYS 53 -9.908 6.463 9.281 421 HB3 LYS 53 2HB LYS 53 -9.314 7.747 10.347 422 HG2 LYS 53 1HG LYS 53 -11.210 6.905 11.429 423 HG3 LYS 53 2HG LYS 53 -11.751 8.407 10.658 424 HD2 LYS 53 1HD LYS 53 -12.998 7.312 9.056 425 HD3 LYS 53 2HD LYS 53 -12.023 5.836 9.165 426 HE2 LYS 53 1HE LYS 53 -13.022 5.225 11.255 427 HE3 LYS 53 2HE LYS 53 -13.828 6.797 11.378 428 HZ1 LYS 53 3HZ LYS 53 -14.399 4.682 9.374 429 HZ2 LYS 53 1HZ LYS 53 -15.110 6.217 9.377 430 HZ3 LYS 53 2HZ LYS 53 -15.394 5.150 10.658 431 H LEU 54 H LEU 54 -8.225 9.528 9.736 432 HA LEU 54 HA LEU 54 -9.614 11.833 10.710 433 HG LEU 54 HG LEU 54 -8.449 10.174 12.585 434 HB2 LEU 54 1HB LEU 54 -6.797 10.831 10.801 435 HB3 LEU 54 2HB LEU 54 -7.135 12.519 11.220 436 HD11 LEU 54 1HD1 LEU 54 -6.023 10.103 12.921 437 HD12 LEU 54 2HD1 LEU 54 -6.880 10.519 14.406 438 HD13 LEU 54 3HD1 LEU 54 -6.057 11.775 13.482 439 HD21 LEU 54 3HD2 LEU 54 -9.755 11.769 13.416 440 HD22 LEU 54 1HD2 LEU 54 -8.786 13.041 12.673 441 HD23 LEU 54 2HD2 LEU 54 -8.335 12.400 14.252 442 H ALA 55 H ALA 55 -7.814 11.072 7.870 443 HA ALA 55 HA ALA 55 -6.880 13.579 7.092 444 HB1 ALA 55 3HB ALA 55 -6.882 12.701 4.813 445 HB2 ALA 55 1HB ALA 55 -6.259 11.510 5.956 446 HB3 ALA 55 2HB ALA 55 -7.899 11.355 5.328 447 H GLU 56 H GLU 56 -10.083 12.153 6.828 448 HA GLU 56 HA GLU 56 -11.254 13.945 5.045 449 HE2 GLU 56 HE2 GLU 56 -14.375 9.067 5.139 450 HB2 GLU 56 1HB GLU 56 -12.722 12.814 7.420 451 HB3 GLU 56 2HB GLU 56 -13.343 13.153 5.797 452 HG2 GLU 56 1HG GLU 56 -11.768 11.341 4.964 453 HG3 GLU 56 2HG GLU 56 -11.558 10.903 6.666 454 H GLU 57 H GLU 57 -10.262 14.388 8.311 455 HA GLU 57 HA GLU 57 -11.966 16.593 8.926 456 HE2 GLU 57 HE2 GLU 57 -13.347 18.479 12.345 457 HB2 GLU 57 1HB GLU 57 -10.865 15.151 10.636 458 HB3 GLU 57 2HB GLU 57 -9.313 15.867 10.176 459 HG2 GLU 57 1HG GLU 57 -10.060 16.966 12.150 460 HG3 GLU 57 2HG GLU 57 -10.223 18.096 10.798 461 H ARG 58 H ARG 58 -8.502 16.384 8.107 462 HA ARG 58 HA ARG 58 -8.271 19.229 7.802 463 HE ARG 58 HE ARG 58 -4.664 15.131 7.520 464 HB2 ARG 58 1HB ARG 58 -6.291 17.197 6.785 465 HB3 ARG 58 2HB ARG 58 -5.990 18.851 7.338 466 HG2 ARG 58 1HG ARG 58 -5.341 17.928 9.260 467 HG3 ARG 58 2HG ARG 58 -7.068 17.676 9.565 468 HD2 ARG 58 1HD ARG 58 -6.134 15.560 9.918 469 HD3 ARG 58 2HD ARG 58 -6.784 15.479 8.274 470 HH11 ARG 58 1HH1 ARG 58 -4.488 16.679 10.633 471 HH12 ARG 58 2HH1 ARG 58 -2.759 16.585 10.727 472 HH21 ARG 58 1HH2 ARG 58 -2.390 15.002 7.632 473 HH22 ARG 58 2HH2 ARG 58 -1.568 15.631 9.018 474 H LEU 59 H LEU 59 -9.102 16.580 5.766 475 HA LEU 59 HA LEU 59 -8.874 18.303 3.389 476 HG LEU 59 HG LEU 59 -6.777 15.484 2.240 477 HB2 LEU 59 1HB LEU 59 -8.775 15.312 3.719 478 HB3 LEU 59 2HB LEU 59 -9.084 16.078 2.152 479 HD11 LEU 59 1HD1 LEU 59 -5.887 17.458 1.526 480 HD12 LEU 59 2HD1 LEU 59 -6.577 18.383 2.860 481 HD13 LEU 59 3HD1 LEU 59 -7.598 17.885 1.511 482 HD21 LEU 59 3HD2 LEU 59 -6.947 15.733 4.921 483 HD22 LEU 59 1HD2 LEU 59 -6.087 17.220 4.518 484 HD23 LEU 59 2HD2 LEU 59 -5.424 15.659 4.034 485 H LYS 60 H LYS 60 -10.530 17.165 1.641 486 HA LYS 60 HA LYS 60 -12.707 17.232 0.968 487 HB2 LYS 60 1HB LYS 60 -13.336 15.877 3.589 488 HB3 LYS 60 2HB LYS 60 -14.170 15.698 2.036 489 HG2 LYS 60 1HG LYS 60 -12.450 14.396 1.117 490 HG3 LYS 60 2HG LYS 60 -11.311 14.864 2.391 491 HD2 LYS 60 1HD LYS 60 -11.857 12.959 3.424 492 HD3 LYS 60 2HD LYS 60 -13.415 13.722 3.782 493 HE2 LYS 60 1HE LYS 60 -12.753 11.983 1.395 494 HE3 LYS 60 2HE LYS 60 -13.794 11.568 2.765 495 HZ1 LYS 60 3HZ LYS 60 -14.859 13.889 1.807 496 HZ2 LYS 60 1HZ LYS 60 -15.456 12.332 1.528 497 HZ3 LYS 60 2HZ LYS 60 -14.418 13.053 0.404 498 H LYS 61 H LYS 61 -15.116 17.488 2.204 499 HA LYS 61 HA LYS 61 -14.876 20.036 3.667 500 HB2 LYS 61 1HB LYS 61 -15.685 20.550 1.483 501 HB3 LYS 61 2HB LYS 61 -16.849 19.217 1.535 502 HG2 LYS 61 1HG LYS 61 -17.105 21.284 3.643 503 HG3 LYS 61 2HG LYS 61 -17.524 21.758 1.987 504 HD2 LYS 61 1HD LYS 61 -19.448 20.627 2.053 505 HD3 LYS 61 2HD LYS 61 -18.630 19.168 2.639 506 HE2 LYS 61 1HE LYS 61 -19.097 19.601 4.821 507 HE3 LYS 61 2HE LYS 61 -18.954 21.351 4.601 508 HZ1 LYS 61 3HZ LYS 61 -21.247 19.791 3.557 509 HZ2 LYS 61 1HZ LYS 61 -21.119 21.472 3.709 510 HZ3 LYS 61 2HZ LYS 61 -21.244 20.504 5.090 511 H LEU 62 H LEU 62 -16.483 16.961 3.358 512 HA LEU 62 HA LEU 62 -18.663 17.249 5.018 513 HG LEU 62 HG LEU 62 -15.775 15.186 4.072 514 HB2 LEU 62 1HB LEU 62 -18.358 14.827 5.563 515 HB3 LEU 62 2HB LEU 62 -18.352 15.218 3.833 516 HD11 LEU 62 1HD1 LEU 62 -15.334 13.284 5.876 517 HD12 LEU 62 2HD1 LEU 62 -16.685 14.092 6.671 518 HD13 LEU 62 3HD1 LEU 62 -15.228 15.001 6.267 519 HD21 LEU 62 3HD2 LEU 62 -15.835 12.641 3.882 520 HD22 LEU 62 1HD2 LEU 62 -16.790 13.564 2.721 521 HD23 LEU 62 2HD2 LEU 62 -17.580 12.788 4.092 522 HA MET 1 HA MET 1 14.730 -18.892 -12.166 523 H1 MET 1 1H MET 1 14.729 -21.383 -13.247 524 HB2 MET 1 1HB MET 1 13.497 -19.897 -14.727 525 HB3 MET 1 2HB MET 1 13.505 -18.177 -14.309 526 HG2 MET 1 1HG MET 1 16.008 -18.339 -14.079 527 HG3 MET 1 2HG MET 1 15.877 -19.960 -14.769 528 HE1 MET 1 3HE MET 1 17.322 -16.930 -16.930 529 HE2 MET 1 1HE MET 1 15.998 -15.973 -16.263 530 HE3 MET 1 2HE MET 1 17.002 -16.954 -15.195 531 H LYS 2 H LYS 2 11.824 -20.745 -13.048 532 HA LYS 2 HA LYS 2 9.668 -20.621 -12.336 533 HB2 LYS 2 1HB LYS 2 11.276 -19.772 -10.066 534 HB3 LYS 2 2HB LYS 2 9.678 -19.007 -10.064 535 HG2 LYS 2 1HG LYS 2 9.289 -20.921 -8.845 536 HG3 LYS 2 2HG LYS 2 8.799 -21.411 -10.477 537 HD2 LYS 2 1HD LYS 2 11.172 -22.293 -10.774 538 HD3 LYS 2 2HD LYS 2 11.352 -22.073 -9.026 539 HE2 LYS 2 1HE LYS 2 8.887 -23.439 -9.518 540 HE3 LYS 2 2HE LYS 2 10.182 -24.249 -10.412 541 HZ1 LYS 2 3HZ LYS 2 9.939 -23.826 -7.504 542 HZ2 LYS 2 1HZ LYS 2 11.456 -24.088 -8.205 543 HZ3 LYS 2 2HZ LYS 2 10.245 -25.259 -8.350 544 H LYS 3 H LYS 3 7.832 -19.142 -12.093 545 HA LYS 3 HA LYS 3 8.030 -16.356 -12.252 546 HB2 LYS 3 1HB LYS 3 8.482 -17.769 -14.756 547 HB3 LYS 3 2HB LYS 3 7.096 -16.671 -14.856 548 HG2 LYS 3 1HG LYS 3 8.836 -15.020 -13.674 549 HG3 LYS 3 2HG LYS 3 9.972 -16.070 -14.540 550 HD2 LYS 3 1HD LYS 3 9.600 -14.794 -16.338 551 HD3 LYS 3 2HD LYS 3 8.002 -15.557 -16.415 552 HE2 LYS 3 1HE LYS 3 7.455 -13.670 -14.596 553 HE3 LYS 3 2HE LYS 3 8.776 -12.861 -15.452 554 HZ1 LYS 3 3HZ LYS 3 6.148 -13.695 -16.488 555 HZ2 LYS 3 1HZ LYS 3 7.455 -13.511 -17.547 556 HZ3 LYS 3 2HZ LYS 3 6.923 -12.198 -16.624 557 H LEU 4 H LEU 4 6.249 -19.234 -13.216 558 HA LEU 4 HA LEU 4 3.714 -18.193 -13.569 559 HG LEU 4 HG LEU 4 3.492 -21.745 -14.495 560 HB2 LEU 4 1HB LEU 4 4.818 -20.812 -12.713 561 HB3 LEU 4 2HB LEU 4 3.099 -20.518 -12.393 562 HD11 LEU 4 1HD1 LEU 4 1.782 -20.718 -15.586 563 HD12 LEU 4 2HD1 LEU 4 2.461 -19.105 -15.370 564 HD13 LEU 4 3HD1 LEU 4 1.644 -19.904 -14.027 565 HD21 LEU 4 3HD2 LEU 4 4.666 -19.204 -15.590 566 HD22 LEU 4 1HD2 LEU 4 4.599 -20.799 -16.339 567 HD23 LEU 4 2HD2 LEU 4 5.668 -20.515 -14.966 568 H ARG 5 H ARG 5 4.903 -19.659 -10.538 569 HA ARG 5 HA ARG 5 2.753 -18.611 -8.997 570 HE ARG 5 HE ARG 5 7.039 -22.224 -8.518 571 HB2 ARG 5 1HB ARG 5 4.137 -19.364 -7.040 572 HB3 ARG 5 2HB ARG 5 3.792 -20.621 -8.239 573 HG2 ARG 5 1HG ARG 5 6.002 -20.491 -9.140 574 HG3 ARG 5 2HG ARG 5 6.363 -19.062 -8.155 575 HD2 ARG 5 1HD ARG 5 7.103 -20.378 -6.519 576 HD3 ARG 5 2HD ARG 5 5.489 -21.090 -6.390 577 HH11 ARG 5 1HH1 ARG 5 6.397 -22.335 -5.098 578 HH12 ARG 5 2HH1 ARG 5 6.905 -23.982 -4.924 579 HH21 ARG 5 1HH2 ARG 5 7.711 -24.393 -8.302 580 HH22 ARG 5 2HH2 ARG 5 7.653 -25.151 -6.746 581 H GLU 6 H GLU 6 6.046 -17.574 -9.654 582 HA GLU 6 HA GLU 6 6.385 -15.647 -7.695 583 HE2 GLU 6 HE2 GLU 6 9.101 -11.738 -11.000 584 HB2 GLU 6 1HB GLU 6 8.139 -16.374 -9.280 585 HB3 GLU 6 2HB GLU 6 7.313 -15.485 -10.569 586 HG2 GLU 6 1HG GLU 6 7.840 -13.821 -8.241 587 HG3 GLU 6 2HG GLU 6 9.310 -14.519 -8.937 588 H GLU 7 H GLU 7 4.363 -15.601 -10.511 589 HA GLU 7 HA GLU 7 4.003 -12.891 -10.939 590 HE2 GLU 7 HE2 GLU 7 2.608 -12.139 -15.235 591 HB2 GLU 7 1HB GLU 7 2.167 -15.256 -11.231 592 HB3 GLU 7 2HB GLU 7 1.608 -13.618 -11.603 593 HG2 GLU 7 1HG GLU 7 4.136 -14.093 -12.879 594 HG3 GLU 7 2HG GLU 7 2.994 -15.386 -13.277 595 H ALA 8 H ALA 8 2.841 -14.898 -8.350 596 HA ALA 8 HA ALA 8 0.856 -13.054 -7.410 597 HB1 ALA 8 3HB ALA 8 1.411 -14.654 -5.268 598 HB2 ALA 8 1HB ALA 8 0.242 -15.021 -6.537 599 HB3 ALA 8 2HB ALA 8 1.876 -15.679 -6.626 600 H ALA 9 H ALA 9 4.255 -13.604 -6.821 601 HA ALA 9 HA ALA 9 4.431 -12.064 -4.431 602 HB1 ALA 9 3HB ALA 9 6.208 -13.596 -6.084 603 HB2 ALA 9 1HB ALA 9 6.942 -12.044 -5.677 604 HB3 ALA 9 2HB ALA 9 6.383 -13.119 -4.395 605 H LYS 10 H LYS 10 4.780 -11.356 -7.859 606 HA LYS 10 HA LYS 10 5.951 -8.838 -7.722 607 HB2 LYS 10 1HB LYS 10 3.809 -9.654 -9.695 608 HB3 LYS 10 2HB LYS 10 5.091 -8.455 -9.932 609 HG2 LYS 10 1HG LYS 10 6.680 -10.492 -9.498 610 HG3 LYS 10 2HG LYS 10 5.250 -11.429 -9.969 611 HD2 LYS 10 1HD LYS 10 5.939 -9.134 -11.714 612 HD3 LYS 10 2HD LYS 10 7.063 -10.506 -11.731 613 HE2 LYS 10 1HE LYS 10 5.485 -11.978 -12.573 614 HE3 LYS 10 2HE LYS 10 4.130 -11.014 -11.967 615 HZ1 LYS 10 3HZ LYS 10 4.472 -10.946 -14.427 616 HZ2 LYS 10 1HZ LYS 10 5.909 -10.096 -14.152 617 HZ3 LYS 10 2HZ LYS 10 4.430 -9.429 -13.678 618 H LEU 11 H LEU 11 2.742 -9.847 -6.920 619 HA LEU 11 HA LEU 11 1.264 -7.537 -7.210 620 HG LEU 11 HG LEU 11 0.876 -10.652 -7.082 621 HB2 LEU 11 1HB LEU 11 1.125 -9.483 -4.901 622 HB3 LEU 11 2HB LEU 11 -0.149 -8.360 -5.408 623 HD11 LEU 11 1HD1 LEU 11 -0.262 -11.433 -5.053 624 HD12 LEU 11 2HD1 LEU 11 -1.190 -11.785 -6.510 625 HD13 LEU 11 3HD1 LEU 11 -1.662 -10.443 -5.468 626 HD21 LEU 11 3HD2 LEU 11 -1.760 -9.491 -7.608 627 HD22 LEU 11 1HD2 LEU 11 -0.478 -9.956 -8.726 628 HD23 LEU 11 2HD2 LEU 11 -0.411 -8.394 -7.909 629 H PHE 12 H PHE 12 3.364 -8.472 -4.510 630 HA PHE 12 HA PHE 12 2.849 -6.092 -3.011 631 HD1 PHE 12 HD2 PHE 12 1.852 -6.818 -1.410 632 HD2 PHE 12 HD1 PHE 12 4.553 -10.101 -1.584 633 HE1 PHE 12 HE2 PHE 12 0.238 -8.206 -0.177 634 HE2 PHE 12 HE1 PHE 12 2.943 -11.496 -0.353 635 HZ PHE 12 HZ PHE 12 0.783 -10.548 0.354 636 HB2 PHE 12 1HB PHE 12 5.044 -8.166 -2.785 637 HB3 PHE 12 2HB PHE 12 4.782 -6.862 -1.624 638 H GLU 13 H GLU 13 5.117 -7.024 -5.474 639 HA GLU 13 HA GLU 13 7.139 -5.151 -5.060 640 HE2 GLU 13 HE2 GLU 13 9.011 -7.573 -9.838 641 HB2 GLU 13 1HB GLU 13 6.538 -7.080 -6.971 642 HB3 GLU 13 2HB GLU 13 6.555 -5.561 -7.881 643 HG2 GLU 13 1HG GLU 13 8.806 -5.122 -6.699 644 HG3 GLU 13 2HG GLU 13 8.772 -6.856 -6.349 645 H GLU 14 H GLU 14 4.016 -4.837 -6.648 646 HA GLU 14 HA GLU 14 4.524 -2.214 -7.675 647 HE2 GLU 14 HE2 GLU 14 0.424 -4.249 -11.163 648 HB2 GLU 14 1HB GLU 14 1.878 -3.616 -7.232 649 HB3 GLU 14 2HB GLU 14 2.156 -2.191 -8.247 650 HG2 GLU 14 1HG GLU 14 3.909 -3.848 -9.393 651 HG3 GLU 14 2HG GLU 14 2.758 -5.037 -8.769 652 H TRP 15 H TRP 15 3.063 -3.538 -4.772 653 HA TRP 15 HA TRP 15 1.766 -1.304 -3.773 654 HD1 TRP 15 HD1 TRP 15 0.856 -3.609 -4.753 655 HE1 TRP 15 HE1 TRP 15 -1.301 -4.909 -4.223 656 HE3 TRP 15 HE3 TRP 15 1.201 -3.710 0.346 657 HZ2 TRP 15 HZ2 TRP 15 -2.675 -5.852 -1.945 658 HZ3 TRP 15 HZ3 TRP 15 -0.577 -4.830 1.627 659 HH2 TRP 15 HH2 TRP 15 -2.474 -5.877 0.503 660 HB2 TRP 15 1HB TRP 15 3.211 -3.563 -2.380 661 HB3 TRP 15 2HB TRP 15 2.342 -2.311 -1.489 662 H LYS 16 H LYS 16 5.122 -2.318 -3.115 663 HA LYS 16 HA LYS 16 5.781 0.041 -1.678 664 HB2 LYS 16 1HB LYS 16 8.101 -0.738 -1.842 665 HB3 LYS 16 2HB LYS 16 7.010 -2.046 -1.355 666 HG2 LYS 16 1HG LYS 16 7.624 -3.300 -3.076 667 HG3 LYS 16 2HG LYS 16 7.271 -1.987 -4.214 668 HD2 LYS 16 1HD LYS 16 9.454 -1.053 -3.961 669 HD3 LYS 16 2HD LYS 16 9.808 -2.124 -2.594 670 HE2 LYS 16 1HE LYS 16 9.430 -4.058 -4.256 671 HE3 LYS 16 2HE LYS 16 9.584 -2.814 -5.506 672 HZ1 LYS 16 3HZ LYS 16 11.736 -2.263 -4.097 673 HZ2 LYS 16 1HZ LYS 16 11.743 -3.416 -5.335 674 HZ3 LYS 16 2HZ LYS 16 11.615 -3.908 -3.722 675 H LYS 17 H LYS 17 5.697 -0.768 -5.034 676 HA LYS 17 HA LYS 17 7.504 1.227 -5.960 677 HB2 LYS 17 1HB LYS 17 5.951 -0.868 -7.086 678 HB3 LYS 17 2HB LYS 17 5.517 0.627 -7.931 679 HG2 LYS 17 1HG LYS 17 7.618 0.920 -8.812 680 HG3 LYS 17 2HG LYS 17 8.397 -0.011 -7.520 681 HD2 LYS 17 1HD LYS 17 6.752 -1.882 -8.699 682 HD3 LYS 17 2HD LYS 17 7.304 -0.908 -10.074 683 HE2 LYS 17 1HE LYS 17 9.597 -1.290 -8.526 684 HE3 LYS 17 2HE LYS 17 8.753 -2.844 -8.484 685 HZ1 LYS 17 3HZ LYS 17 8.869 -3.064 -10.780 686 HZ2 LYS 17 1HZ LYS 17 10.380 -2.417 -10.381 687 HZ3 LYS 17 2HZ LYS 17 9.179 -1.422 -11.035 688 H LEU 18 H LEU 18 3.944 1.058 -5.892 689 HA LEU 18 HA LEU 18 3.405 3.575 -6.924 690 HG LEU 18 HG LEU 18 2.276 1.008 -7.195 691 HB2 LEU 18 1HB LEU 18 1.859 2.102 -4.783 692 HB3 LEU 18 2HB LEU 18 1.244 3.414 -5.805 693 HD11 LEU 18 1HD1 LEU 18 -0.429 0.480 -6.674 694 HD12 LEU 18 2HD1 LEU 18 0.318 0.816 -5.113 695 HD13 LEU 18 3HD1 LEU 18 0.976 -0.450 -6.150 696 HD21 LEU 18 3HD2 LEU 18 -0.353 2.187 -7.793 697 HD22 LEU 18 1HD2 LEU 18 0.968 1.742 -8.873 698 HD23 LEU 18 2HD2 LEU 18 1.028 3.268 -7.992 699 H ALA 19 H ALA 19 4.289 2.620 -3.664 700 HA ALA 19 HA ALA 19 3.666 5.010 -2.332 701 HB1 ALA 19 3HB ALA 19 5.688 2.859 -1.764 702 HB2 ALA 19 1HB ALA 19 5.436 4.238 -0.692 703 HB3 ALA 19 2HB ALA 19 4.115 3.111 -1.007 704 H GLU 20 H GLU 20 6.454 4.054 -4.238 705 HA GLU 20 HA GLU 20 8.252 6.049 -3.491 706 HE2 GLU 20 HE2 GLU 20 11.868 2.414 -5.286 707 HB2 GLU 20 1HB GLU 20 7.947 4.934 -6.285 708 HB3 GLU 20 2HB GLU 20 9.412 5.596 -5.543 709 HG2 GLU 20 1HG GLU 20 8.478 3.472 -3.897 710 HG3 GLU 20 2HG GLU 20 8.502 2.916 -5.576 711 H GLU 21 H GLU 21 5.851 6.058 -6.115 712 HA GLU 21 HA GLU 21 6.414 8.754 -6.877 713 HE2 GLU 21 HE2 GLU 21 7.216 8.334 -11.102 714 HB2 GLU 21 1HB GLU 21 3.946 7.114 -7.490 715 HB3 GLU 21 2HB GLU 21 4.519 8.543 -8.364 716 HG2 GLU 21 1HG GLU 21 6.570 6.516 -8.260 717 HG3 GLU 21 2HG GLU 21 5.068 5.879 -8.946 718 H ALA 22 H ALA 22 3.727 7.208 -5.130 719 HA ALA 22 HA ALA 22 2.206 9.476 -4.626 720 HB1 ALA 22 3HB ALA 22 2.529 6.889 -3.147 721 HB2 ALA 22 1HB ALA 22 1.457 8.157 -2.553 722 HB3 ALA 22 2HB ALA 22 1.180 7.441 -4.140 723 H ALA 23 H ALA 23 5.110 8.324 -3.065 724 HA ALA 23 HA ALA 23 4.930 9.979 -0.755 725 HB1 ALA 23 3HB ALA 23 7.055 8.311 -2.008 726 HB2 ALA 23 1HB ALA 23 7.512 9.492 -0.780 727 HB3 ALA 23 2HB ALA 23 6.352 8.220 -0.392 728 H LYS 24 H LYS 24 6.916 10.213 -3.710 729 HA LYS 24 HA LYS 24 8.011 12.737 -3.120 730 HB2 LYS 24 1HB LYS 24 8.542 12.834 -5.556 731 HB3 LYS 24 2HB LYS 24 9.055 11.332 -4.770 732 HG2 LYS 24 1HG LYS 24 7.084 10.180 -5.660 733 HG3 LYS 24 2HG LYS 24 6.585 11.682 -6.458 734 HD2 LYS 24 1HD LYS 24 7.682 10.315 -8.093 735 HD3 LYS 24 2HD LYS 24 8.755 11.669 -7.695 736 HE2 LYS 24 1HE LYS 24 9.339 9.565 -5.877 737 HE3 LYS 24 2HE LYS 24 9.265 8.870 -7.503 738 HZ1 LYS 24 3HZ LYS 24 10.912 10.365 -8.267 739 HZ2 LYS 24 1HZ LYS 24 11.491 9.726 -6.812 740 HZ3 LYS 24 2HZ LYS 24 10.849 11.290 -6.853 741 H LEU 25 H LEU 25 5.043 11.769 -4.723 742 HA LEU 25 HA LEU 25 4.399 14.406 -5.652 743 HG LEU 25 HG LEU 25 4.119 12.696 -7.778 744 HB2 LEU 25 1HB LEU 25 3.203 11.725 -5.738 745 HB3 LEU 25 2HB LEU 25 2.029 13.048 -5.631 746 HD11 LEU 25 1HD1 LEU 25 2.015 11.197 -7.689 747 HD12 LEU 25 2HD1 LEU 25 2.428 12.007 -9.201 748 HD13 LEU 25 3HD1 LEU 25 1.153 12.659 -8.170 749 HD21 LEU 25 3HD2 LEU 25 2.940 15.053 -6.874 750 HD22 LEU 25 1HD2 LEU 25 2.028 14.609 -8.317 751 HD23 LEU 25 2HD2 LEU 25 3.779 14.801 -8.406 752 H LEU 26 H LEU 26 3.516 12.408 -2.882 753 HA LEU 26 HA LEU 26 1.436 13.857 -1.810 754 HG LEU 26 HG LEU 26 1.067 11.436 -1.312 755 HB2 LEU 26 1HB LEU 26 3.513 12.049 -0.768 756 HB3 LEU 26 2HB LEU 26 2.811 13.149 0.430 757 HD11 LEU 26 1HD1 LEU 26 1.577 10.453 1.393 758 HD12 LEU 26 2HD1 LEU 26 2.966 10.339 0.312 759 HD13 LEU 26 3HD1 LEU 26 1.439 9.575 -0.130 760 HD21 LEU 26 3HD2 LEU 26 -0.414 11.656 0.704 761 HD22 LEU 26 1HD2 LEU 26 -0.106 13.158 -0.167 762 HD23 LEU 26 2HD2 LEU 26 0.745 12.824 1.342 763 H GLU 27 H GLU 27 4.915 14.358 -1.239 764 HA GLU 27 HA GLU 27 4.350 16.857 0.145 765 HE2 GLU 27 HE2 GLU 27 8.710 13.342 2.453 766 HB2 GLU 27 1HB GLU 27 7.071 15.702 -0.463 767 HB3 GLU 27 2HB GLU 27 6.633 16.865 0.799 768 HG2 GLU 27 1HG GLU 27 5.316 15.113 1.933 769 HG3 GLU 27 2HG GLU 27 5.847 13.960 0.700 770 H GLY 28 H GLY 28 4.213 16.190 -2.913 771 HA2 GLY 28 1HA GLY 28 6.116 17.747 -4.252 772 HA3 GLY 28 2HA GLY 28 4.514 17.363 -4.862 773 H GLY 29 H GLY 29 3.586 18.743 -2.205 774 HA2 GLY 29 1HA GLY 29 3.966 21.232 -1.703 775 HA3 GLY 29 2HA GLY 29 3.569 21.435 -3.403 776 H GLY 30 H GLY 30 2.130 19.347 -0.907 777 HA2 GLY 30 1HA GLY 30 -0.201 20.940 -0.583 778 HA3 GLY 30 2HA GLY 30 -0.499 19.649 -1.736 779 H GLY 31 H GLY 31 0.653 17.477 -0.794 780 HA2 GLY 31 1HA GLY 31 -1.020 16.588 1.247 781 HA3 GLY 31 2HA GLY 31 0.464 15.788 0.747 782 H GLY 32 H GLY 32 -1.062 16.960 3.357 783 HA2 GLY 32 1HA GLY 32 0.992 18.430 4.673 784 HA3 GLY 32 2HA GLY 32 -0.414 17.703 5.436 785 H GLY 33 H GLY 33 0.070 16.250 6.931 786 HA2 GLY 33 1HA GLY 33 0.987 14.203 7.667 787 HA3 GLY 33 2HA GLY 33 2.215 14.329 6.416 788 H GLY 34 H GLY 34 4.176 14.540 7.247 789 HA2 GLY 34 1HA GLY 34 5.899 15.181 8.621 790 HA3 GLY 34 2HA GLY 34 4.984 16.661 8.870 791 H GLY 35 H GLY 35 5.706 13.480 10.114 792 HA2 GLY 35 1HA GLY 35 5.878 13.697 12.673 793 HA3 GLY 35 2HA GLY 35 4.169 14.086 12.551 794 H GLU 36 H GLU 36 4.141 12.186 14.077 795 HA GLU 36 HA GLU 36 4.751 9.585 13.330 796 HE2 GLU 36 HE2 GLU 36 3.700 8.163 18.157 797 HB2 GLU 36 1HB GLU 36 4.157 10.053 15.596 798 HB3 GLU 36 2HB GLU 36 2.562 10.652 15.112 799 HG2 GLU 36 1HG GLU 36 1.705 8.547 14.763 800 HG3 GLU 36 2HG GLU 36 3.302 7.837 14.488 801 H LEU 37 H LEU 37 2.011 11.582 12.472 802 HA LEU 37 HA LEU 37 0.304 9.586 11.482 803 HG LEU 37 HG LEU 37 -0.991 11.108 9.115 804 HB2 LEU 37 1HB LEU 37 -0.318 11.958 11.939 805 HB3 LEU 37 2HB LEU 37 0.574 12.415 10.478 806 HD11 LEU 37 1HD1 LEU 37 -1.623 9.402 10.695 807 HD12 LEU 37 2HD1 LEU 37 -3.064 10.263 10.156 808 HD13 LEU 37 3HD1 LEU 37 -2.377 10.604 11.744 809 HD21 LEU 37 3HD2 LEU 37 -2.792 12.636 9.206 810 HD22 LEU 37 1HD2 LEU 37 -1.366 13.532 9.728 811 HD23 LEU 37 2HD2 LEU 37 -2.530 12.958 10.921 812 H MET 38 H MET 38 2.498 11.743 9.671 813 HA MET 38 HA MET 38 2.174 10.451 7.197 814 HB2 MET 38 1HB MET 38 3.084 12.729 7.453 815 HB3 MET 38 2HB MET 38 4.545 12.047 8.183 816 HG2 MET 38 1HG MET 38 4.213 10.697 5.742 817 HG3 MET 38 2HG MET 38 3.890 12.402 5.415 818 HE1 MET 38 3HE MET 38 6.434 10.968 8.188 819 HE2 MET 38 1HE MET 38 6.333 9.812 6.860 820 HE3 MET 38 2HE MET 38 7.821 10.719 7.127 821 H LYS 39 H LYS 39 4.114 9.703 9.963 822 HA LYS 39 HA LYS 39 6.137 8.161 8.834 823 HB2 LYS 39 1HB LYS 39 5.824 8.883 11.269 824 HB3 LYS 39 2HB LYS 39 4.774 7.466 11.431 825 HG2 LYS 39 1HG LYS 39 7.244 6.692 10.191 826 HG3 LYS 39 2HG LYS 39 7.563 7.577 11.693 827 HD2 LYS 39 1HD LYS 39 6.623 5.978 13.013 828 HD3 LYS 39 2HD LYS 39 5.419 5.537 11.788 829 HE2 LYS 39 1HE LYS 39 6.654 3.714 11.395 830 HE3 LYS 39 2HE LYS 39 7.818 4.802 10.629 831 HZ1 LYS 39 3HZ LYS 39 8.790 3.337 12.350 832 HZ2 LYS 39 1HZ LYS 39 7.852 4.124 13.517 833 HZ3 LYS 39 2HZ LYS 39 9.030 4.983 12.659 834 H LEU 40 H LEU 40 2.767 7.455 9.304 835 HA LEU 40 HA LEU 40 2.962 4.627 9.014 836 HG LEU 40 HG LEU 40 1.355 5.470 11.141 837 HB2 LEU 40 1HB LEU 40 0.786 6.650 9.061 838 HB3 LEU 40 2HB LEU 40 0.435 5.093 8.292 839 HD11 LEU 40 1HD1 LEU 40 -0.833 6.205 11.168 840 HD12 LEU 40 2HD1 LEU 40 -1.019 4.484 11.496 841 HD13 LEU 40 3HD1 LEU 40 -1.329 5.111 9.878 842 HD21 LEU 40 3HD2 LEU 40 1.808 3.300 11.167 843 HD22 LEU 40 1HD2 LEU 40 1.464 3.212 9.440 844 HD23 LEU 40 2HD2 LEU 40 0.174 2.935 10.610 845 H CYS 41 H CYS 41 2.748 7.309 6.809 846 HA CYS 41 HA CYS 41 1.886 5.900 4.519 847 HG CYS 41 HG CYS 41 3.927 8.839 2.311 848 HB2 CYS 41 1HB CYS 41 1.747 8.294 4.580 849 HB3 CYS 41 2HB CYS 41 3.499 8.440 4.804 850 H GLU 42 H GLU 42 5.081 6.549 5.869 851 HA GLU 42 HA GLU 42 6.516 5.433 3.668 852 HE2 GLU 42 HE2 GLU 42 8.631 9.665 4.829 853 HB2 GLU 42 1HB GLU 42 7.154 6.928 5.932 854 HB3 GLU 42 2HB GLU 42 7.949 5.368 6.193 855 HG2 GLU 42 1HG GLU 42 9.623 6.217 4.992 856 HG3 GLU 42 2HG GLU 42 8.587 5.881 3.597 857 H GLU 43 H GLU 43 5.040 4.159 6.533 858 HA GLU 43 HA GLU 43 6.475 1.777 6.834 859 HE2 GLU 43 HE2 GLU 43 7.408 0.989 10.305 860 HB2 GLU 43 1HB GLU 43 3.567 2.394 7.403 861 HB3 GLU 43 2HB GLU 43 4.394 0.919 7.929 862 HG2 GLU 43 1HG GLU 43 5.652 3.501 8.663 863 HG3 GLU 43 2HG GLU 43 4.144 3.066 9.479 864 H ALA 44 H ALA 44 3.981 2.691 4.575 865 HA ALA 44 HA ALA 44 3.049 0.246 3.700 866 HB1 ALA 44 3HB ALA 44 3.128 2.946 2.676 867 HB2 ALA 44 1HB ALA 44 3.282 1.760 1.380 868 HB3 ALA 44 2HB ALA 44 1.897 1.699 2.472 869 H ALA 45 H ALA 45 5.988 1.962 2.707 870 HA ALA 45 HA ALA 45 6.755 -0.026 0.795 871 HB1 ALA 45 3HB ALA 45 7.692 2.561 1.638 872 HB2 ALA 45 1HB ALA 45 9.035 1.426 1.499 873 HB3 ALA 45 2HB ALA 45 7.970 1.707 0.121 874 H LYS 46 H LYS 46 7.141 0.379 4.196 875 HA LYS 46 HA LYS 46 9.456 -1.254 4.516 876 HB2 LYS 46 1HB LYS 46 7.832 0.365 6.160 877 HB3 LYS 46 2HB LYS 46 7.765 -1.267 6.846 878 HG2 LYS 46 1HG LYS 46 10.021 -1.321 7.325 879 HG3 LYS 46 2HG LYS 46 10.405 -0.089 6.110 880 HD2 LYS 46 1HD LYS 46 8.611 1.037 8.040 881 HD3 LYS 46 2HD LYS 46 9.972 0.272 8.878 882 HE2 LYS 46 1HE LYS 46 10.475 2.610 8.390 883 HE3 LYS 46 2HE LYS 46 11.543 1.529 7.482 884 HZ1 LYS 46 3HZ LYS 46 9.085 2.382 6.160 885 HZ2 LYS 46 1HZ LYS 46 10.625 2.112 5.512 886 HZ3 LYS 46 2HZ LYS 46 10.299 3.544 6.350 887 H LYS 47 H LYS 47 5.972 -1.836 4.896 888 HA LYS 47 HA LYS 47 6.199 -4.546 5.651 889 HB2 LYS 47 1HB LYS 47 3.995 -2.819 4.579 890 HB3 LYS 47 2HB LYS 47 3.759 -4.572 4.675 891 HG2 LYS 47 1HG LYS 47 2.965 -4.087 6.723 892 HG3 LYS 47 2HG LYS 47 4.684 -4.103 7.153 893 HD2 LYS 47 1HD LYS 47 3.832 -1.521 6.099 894 HD3 LYS 47 2HD LYS 47 2.924 -2.007 7.541 895 HE2 LYS 47 1HE LYS 47 5.802 -2.508 7.768 896 HE3 LYS 47 2HE LYS 47 5.394 -0.802 7.530 897 HZ1 LYS 47 3HZ LYS 47 3.717 -1.152 9.385 898 HZ2 LYS 47 1HZ LYS 47 5.351 -1.115 9.825 899 HZ3 LYS 47 2HZ LYS 47 4.537 -2.595 9.718 900 H ALA 48 H ALA 48 5.294 -3.115 2.509 901 HA ALA 48 HA ALA 48 5.145 -5.444 1.028 902 HB1 ALA 48 3HB ALA 48 4.378 -3.589 -0.100 903 HB2 ALA 48 1HB ALA 48 5.783 -2.612 0.331 904 HB3 ALA 48 2HB ALA 48 5.925 -3.868 -0.900 905 H GLU 49 H GLU 49 7.988 -3.401 1.636 906 HA GLU 49 HA GLU 49 9.778 -4.953 0.085 907 HE2 GLU 49 HE2 GLU 49 13.894 -1.077 0.760 908 HB2 GLU 49 1HB GLU 49 10.182 -2.596 0.747 909 HB3 GLU 49 2HB GLU 49 10.411 -3.136 2.417 910 HG2 GLU 49 1HG GLU 49 12.484 -3.923 2.040 911 HG3 GLU 49 2HG GLU 49 12.078 -4.497 0.416 912 H GLU 50 H GLU 50 8.973 -4.928 3.534 913 HA GLU 50 HA GLU 50 10.888 -6.783 4.390 914 HE2 GLU 50 HE2 GLU 50 9.178 -6.594 9.426 915 HB2 GLU 50 1HB GLU 50 8.297 -5.759 5.434 916 HB3 GLU 50 2HB GLU 50 8.924 -7.255 6.144 917 HG2 GLU 50 1HG GLU 50 11.126 -5.576 6.102 918 HG3 GLU 50 2HG GLU 50 9.777 -4.517 6.537 919 H LEU 51 H LEU 51 7.517 -7.280 3.372 920 HA LEU 51 HA LEU 51 7.591 -10.105 3.668 921 HG LEU 51 HG LEU 51 5.890 -7.976 4.545 922 HB2 LEU 51 1HB LEU 51 5.750 -8.508 1.886 923 HB3 LEU 51 2HB LEU 51 5.469 -10.118 2.569 924 HD11 LEU 51 1HD1 LEU 51 4.059 -6.709 4.150 925 HD12 LEU 51 2HD1 LEU 51 3.169 -8.028 3.391 926 HD13 LEU 51 3HD1 LEU 51 4.404 -7.159 2.480 927 HD21 LEU 51 3HD2 LEU 51 4.801 -10.569 4.419 928 HD22 LEU 51 1HD2 LEU 51 3.469 -9.476 4.799 929 HD23 LEU 51 2HD2 LEU 51 4.908 -9.502 5.820 930 H PHE 52 H PHE 52 8.029 -7.925 0.915 931 HA PHE 52 HA PHE 52 8.186 -9.847 -1.105 932 HD1 PHE 52 HD2 PHE 52 8.674 -9.835 -3.286 933 HD2 PHE 52 HD1 PHE 52 10.979 -6.364 -2.421 934 HE1 PHE 52 HE2 PHE 52 9.934 -10.156 -5.374 935 HE2 PHE 52 HE1 PHE 52 12.243 -6.679 -4.507 936 HZ PHE 52 HZ PHE 52 11.722 -8.577 -5.987 937 HB2 PHE 52 1HB PHE 52 7.969 -7.530 -1.685 938 HB3 PHE 52 2HB PHE 52 9.474 -7.128 -0.856 939 H LYS 53 H LYS 53 10.615 -8.654 1.139 940 HA LYS 53 HA LYS 53 12.932 -9.628 0.000 941 HB2 LYS 53 1HB LYS 53 12.624 -8.250 2.139 942 HB3 LYS 53 2HB LYS 53 12.390 -9.803 2.958 943 HG2 LYS 53 1HG LYS 53 14.649 -9.292 3.286 944 HG3 LYS 53 2HG LYS 53 14.635 -10.484 1.974 945 HD2 LYS 53 1HD LYS 53 15.211 -8.940 0.360 946 HD3 LYS 53 2HD LYS 53 14.545 -7.582 1.285 947 HE2 LYS 53 1HE LYS 53 16.393 -7.598 2.808 948 HE3 LYS 53 2HE LYS 53 16.993 -9.119 2.132 949 HZ1 LYS 53 3HZ LYS 53 16.899 -6.496 0.744 950 HZ2 LYS 53 1HZ LYS 53 17.372 -7.949 0.019 951 HZ3 LYS 53 2HZ LYS 53 18.284 -7.301 1.287 952 H LEU 54 H LEU 54 10.960 -11.323 2.449 953 HA LEU 54 HA LEU 54 12.322 -13.804 2.008 954 HG LEU 54 HG LEU 54 12.340 -12.786 4.583 955 HB2 LEU 54 1HB LEU 54 10.001 -12.896 3.665 956 HB3 LEU 54 2HB LEU 54 10.266 -14.630 3.407 957 HD11 LEU 54 1HD1 LEU 54 10.353 -12.857 6.013 958 HD12 LEU 54 2HD1 LEU 54 11.721 -13.687 6.752 959 HD13 LEU 54 3HD1 LEU 54 10.420 -14.619 6.012 960 HD21 LEU 54 3HD2 LEU 54 13.667 -14.537 4.240 961 HD22 LEU 54 1HD2 LEU 54 12.314 -15.541 3.719 962 HD23 LEU 54 2HD2 LEU 54 12.705 -15.410 5.434 963 H ALA 55 H ALA 55 9.582 -12.230 0.642 964 HA ALA 55 HA ALA 55 8.050 -14.376 -0.247 965 HB1 ALA 55 3HB ALA 55 7.191 -12.861 -1.955 966 HB2 ALA 55 1HB ALA 55 7.317 -12.050 -0.394 967 HB3 ALA 55 2HB ALA 55 8.521 -11.746 -1.647 968 H GLU 56 H GLU 56 11.050 -13.066 -1.483 969 HA GLU 56 HA GLU 56 11.046 -14.224 -4.032 970 HE2 GLU 56 HE2 GLU 56 14.705 -9.711 -4.051 971 HB2 GLU 56 1HB GLU 56 13.521 -13.886 -2.342 972 HB3 GLU 56 2HB GLU 56 13.370 -13.776 -4.103 973 HG2 GLU 56 1HG GLU 56 11.918 -11.744 -3.747 974 HG3 GLU 56 2HG GLU 56 12.414 -11.806 -2.050 975 H GLU 57 H GLU 57 12.031 -15.513 -0.899 976 HA GLU 57 HA GLU 57 13.328 -17.820 -1.646 977 HE2 GLU 57 HE2 GLU 57 15.669 -20.615 0.330 978 HB2 GLU 57 1HB GLU 57 13.035 -17.000 0.688 979 HB3 GLU 57 2HB GLU 57 11.364 -17.585 0.639 980 HG2 GLU 57 1HG GLU 57 12.664 -19.210 1.790 981 HG3 GLU 57 2HG GLU 57 12.242 -19.871 0.204 982 H ARG 58 H ARG 58 9.833 -17.512 -1.001 983 HA ARG 58 HA ARG 58 9.311 -20.118 -2.124 984 HE ARG 58 HE ARG 58 6.180 -16.491 0.532 985 HB2 ARG 58 1HB ARG 58 7.208 -18.068 -1.467 986 HB3 ARG 58 2HB ARG 58 7.092 -19.832 -1.413 987 HG2 ARG 58 1HG ARG 58 7.356 -19.614 0.791 988 HG3 ARG 58 2HG ARG 58 9.065 -19.336 0.412 989 HD2 ARG 58 1HD ARG 58 8.526 -17.519 1.772 990 HD3 ARG 58 2HD ARG 58 8.389 -16.868 0.132 991 HH11 ARG 58 1HH1 ARG 58 7.298 -18.938 2.741 992 HH12 ARG 58 2HH1 ARG 58 5.800 -19.026 3.606 993 HH21 ARG 58 1HH2 ARG 58 4.202 -16.598 1.663 994 HH22 ARG 58 2HH2 ARG 58 4.039 -17.695 2.991 995 H LEU 59 H LEU 59 9.540 -16.922 -3.290 996 HA LEU 59 HA LEU 59 8.478 -17.793 -5.883 997 HG LEU 59 HG LEU 59 5.472 -15.779 -5.181 998 HB2 LEU 59 1HB LEU 59 7.801 -15.264 -4.392 999 HB3 LEU 59 2HB LEU 59 7.603 -15.416 -6.148 1000 HD11 LEU 59 1HD1 LEU 59 4.906 -17.722 -6.224 1001 HD12 LEU 59 2HD1 LEU 59 6.271 -18.614 -5.554 1002 HD13 LEU 59 3HD1 LEU 59 6.521 -17.497 -6.896 1003 HD21 LEU 59 3HD2 LEU 59 6.786 -16.566 -2.944 1004 HD22 LEU 59 1HD2 LEU 59 6.184 -18.111 -3.545 1005 HD23 LEU 59 2HD2 LEU 59 5.058 -16.793 -3.220 1006 H LYS 60 H LYS 60 10.838 -18.087 -6.166 1007 HA LYS 60 HA LYS 60 12.425 -15.667 -6.386 1008 HB2 LYS 60 1HB LYS 60 12.924 -18.564 -6.340 1009 HB3 LYS 60 2HB LYS 60 13.948 -17.672 -7.477 1010 HG2 LYS 60 1HG LYS 60 15.177 -16.756 -5.853 1011 HG3 LYS 60 2HG LYS 60 13.751 -16.399 -4.861 1012 HD2 LYS 60 1HD LYS 60 14.503 -18.008 -3.492 1013 HD3 LYS 60 2HD LYS 60 13.892 -19.135 -4.716 1014 HE2 LYS 60 1HE LYS 60 16.713 -18.068 -4.464 1015 HE3 LYS 60 2HE LYS 60 16.161 -19.725 -4.176 1016 HZ1 LYS 60 3HZ LYS 60 15.334 -19.178 -6.720 1017 HZ2 LYS 60 1HZ LYS 60 16.684 -20.101 -6.288 1018 HZ3 LYS 60 2HZ LYS 60 16.862 -18.456 -6.637 1019 H LYS 61 H LYS 61 13.252 -14.817 -8.287 1020 HA LYS 61 HA LYS 61 12.794 -15.983 -10.845 1021 HB2 LYS 61 1HB LYS 61 10.524 -15.304 -10.551 1022 HB3 LYS 61 2HB LYS 61 11.018 -13.707 -9.964 1023 HG2 LYS 61 1HG LYS 61 11.914 -14.456 -12.688 1024 HG3 LYS 61 2HG LYS 61 10.184 -14.144 -12.458 1025 HD2 LYS 61 1HD LYS 61 10.506 -11.939 -12.333 1026 HD3 LYS 61 2HD LYS 61 11.789 -12.141 -11.126 1027 HE2 LYS 61 1HE LYS 61 13.458 -12.047 -12.665 1028 HE3 LYS 61 2HE LYS 61 12.493 -12.867 -13.901 1029 HZ1 LYS 61 3HZ LYS 61 11.982 -10.069 -13.065 1030 HZ2 LYS 61 1HZ LYS 61 11.370 -10.874 -14.422 1031 HZ3 LYS 61 2HZ LYS 61 13.011 -10.473 -14.345 1032 H LEU 62 H LEU 62 13.468 -13.075 -8.971 1033 HA LEU 62 HA LEU 62 14.645 -11.471 -10.878 1034 HG LEU 62 HG LEU 62 14.568 -12.721 -7.430 1035 HB2 LEU 62 1HB LEU 62 16.079 -10.614 -8.971 1036 HB3 LEU 62 2HB LEU 62 14.322 -10.557 -8.745 1037 HD11 LEU 62 1HD1 LEU 62 17.002 -12.659 -6.369 1038 HD12 LEU 62 2HD1 LEU 62 17.406 -12.059 -7.977 1039 HD13 LEU 62 3HD1 LEU 62 16.619 -13.627 -7.794 1040 HD21 LEU 62 3HD2 LEU 62 15.502 -11.446 -5.420 1041 HD22 LEU 62 1HD2 LEU 62 14.068 -10.788 -6.209 1042 HD23 LEU 62 2HD2 LEU 62 15.650 -10.073 -6.518 1043 HC1 HLT 101 HC1 HLT 101 -1.170 1.340 -1.214 Start of MODEL 20 1 HA MET 1 HA MET 1 -15.338 24.496 -3.769 2 H1 MET 1 1H MET 1 -17.119 23.215 -3.170 3 HB2 MET 1 1HB MET 1 -16.577 26.065 -2.238 4 HB3 MET 1 2HB MET 1 -15.470 25.568 -0.949 5 HG2 MET 1 1HG MET 1 -13.727 26.250 -2.943 6 HG3 MET 1 2HG MET 1 -15.046 27.397 -3.185 7 HE1 MET 1 3HE MET 1 -15.519 28.634 0.463 8 HE2 MET 1 1HE MET 1 -15.418 29.627 -0.991 9 HE3 MET 1 2HE MET 1 -16.307 28.104 -1.023 10 H LYS 2 H LYS 2 -14.282 22.255 -3.605 11 HA LYS 2 HA LYS 2 -11.726 22.606 -2.349 12 HB2 LYS 2 1HB LYS 2 -11.755 20.649 -0.937 13 HB3 LYS 2 2HB LYS 2 -13.086 21.720 -0.470 14 HG2 LYS 2 1HG LYS 2 -14.098 19.936 -2.422 15 HG3 LYS 2 2HG LYS 2 -13.184 18.984 -1.240 16 HD2 LYS 2 1HD LYS 2 -14.604 19.466 0.477 17 HD3 LYS 2 2HD LYS 2 -15.000 21.069 -0.168 18 HE2 LYS 2 1HE LYS 2 -16.970 19.729 -0.347 19 HE3 LYS 2 2HE LYS 2 -16.307 19.931 -1.975 20 HZ1 LYS 2 3HZ LYS 2 -15.575 17.567 -0.378 21 HZ2 LYS 2 1HZ LYS 2 -15.600 17.754 -2.059 22 HZ3 LYS 2 2HZ LYS 2 -17.051 17.606 -1.205 23 H LYS 3 H LYS 3 -10.170 21.032 -3.030 24 HA LYS 3 HA LYS 3 -10.782 18.857 -4.718 25 HB2 LYS 3 1HB LYS 3 -10.664 21.474 -5.977 26 HB3 LYS 3 2HB LYS 3 -9.442 20.375 -6.639 27 HG2 LYS 3 1HG LYS 3 -10.983 18.959 -7.551 28 HG3 LYS 3 2HG LYS 3 -12.216 19.358 -6.341 29 HD2 LYS 3 1HD LYS 3 -13.064 20.387 -8.232 30 HD3 LYS 3 2HD LYS 3 -12.179 21.710 -7.454 31 HE2 LYS 3 1HE LYS 3 -10.246 21.287 -8.913 32 HE3 LYS 3 2HE LYS 3 -11.136 19.969 -9.687 33 HZ1 LYS 3 3HZ LYS 3 -12.124 21.410 -11.025 34 HZ2 LYS 3 1HZ LYS 3 -11.163 22.646 -10.384 35 HZ3 LYS 3 2HZ LYS 3 -12.688 22.332 -9.724 36 H LEU 4 H LEU 4 -8.439 21.369 -3.900 37 HA LEU 4 HA LEU 4 -6.115 19.968 -4.634 38 HG LEU 4 HG LEU 4 -5.025 23.442 -4.127 39 HB2 LEU 4 1HB LEU 4 -6.762 22.288 -2.896 40 HB3 LEU 4 2HB LEU 4 -5.195 21.498 -2.645 41 HD11 LEU 4 1HD1 LEU 4 -3.704 21.188 -4.374 42 HD12 LEU 4 2HD1 LEU 4 -3.525 22.477 -5.563 43 HD13 LEU 4 3HD1 LEU 4 -4.570 21.100 -5.909 44 HD21 LEU 4 3HD2 LEU 4 -6.639 21.903 -6.143 45 HD22 LEU 4 1HD2 LEU 4 -6.101 23.581 -6.213 46 HD23 LEU 4 2HD2 LEU 4 -7.361 23.107 -5.073 47 H ARG 5 H ARG 5 -7.818 20.199 -1.525 48 HA ARG 5 HA ARG 5 -6.008 18.487 -0.145 49 HE ARG 5 HE ARG 5 -9.529 21.733 -0.659 50 HB2 ARG 5 1HB ARG 5 -7.769 18.428 1.610 51 HB3 ARG 5 2HB ARG 5 -7.325 20.067 1.108 52 HG2 ARG 5 1HG ARG 5 -9.396 19.575 -0.573 53 HG3 ARG 5 2HG ARG 5 -9.879 18.647 0.857 54 HD2 ARG 5 1HD ARG 5 -10.749 20.636 1.510 55 HD3 ARG 5 2HD ARG 5 -9.088 20.913 2.053 56 HH11 ARG 5 1HH1 ARG 5 -9.820 22.672 2.682 57 HH12 ARG 5 2HH1 ARG 5 -9.764 24.370 2.344 58 HH21 ARG 5 1HH2 ARG 5 -9.453 23.967 -1.114 59 HH22 ARG 5 2HH2 ARG 5 -9.556 25.106 0.184 60 H GLU 6 H GLU 6 -9.160 18.006 -1.686 61 HA GLU 6 HA GLU 6 -9.661 15.392 -0.917 62 HE2 GLU 6 HE2 GLU 6 -11.121 13.963 -5.930 63 HB2 GLU 6 1HB GLU 6 -11.185 16.948 -2.206 64 HB3 GLU 6 2HB GLU 6 -10.271 16.502 -3.656 65 HG2 GLU 6 1HG GLU 6 -10.976 14.079 -2.430 66 HG3 GLU 6 2HG GLU 6 -12.413 15.109 -2.357 67 H GLU 7 H GLU 7 -7.420 16.630 -3.280 68 HA GLU 7 HA GLU 7 -6.957 14.251 -4.718 69 HE2 GLU 7 HE2 GLU 7 -6.697 14.823 -8.707 70 HB2 GLU 7 1HB GLU 7 -5.207 16.663 -4.210 71 HB3 GLU 7 2HB GLU 7 -4.762 15.346 -5.307 72 HG2 GLU 7 1HG GLU 7 -7.424 16.481 -5.794 73 HG3 GLU 7 2HG GLU 7 -6.078 17.603 -6.038 74 H ALA 8 H ALA 8 -5.091 15.725 -2.061 75 HA ALA 8 HA ALA 8 -3.201 13.715 -1.752 76 HB1 ALA 8 3HB ALA 8 -2.746 15.674 -0.594 77 HB2 ALA 8 1HB ALA 8 -4.351 15.735 0.135 78 HB3 ALA 8 2HB ALA 8 -3.173 14.546 0.693 79 H ALA 9 H ALA 9 -6.534 13.811 -0.782 80 HA ALA 9 HA ALA 9 -6.386 11.689 1.127 81 HB1 ALA 9 3HB ALA 9 -8.370 12.549 1.621 82 HB2 ALA 9 1HB ALA 9 -8.391 13.478 0.122 83 HB3 ALA 9 2HB ALA 9 -9.008 11.825 0.145 84 H LYS 10 H LYS 10 -7.206 11.909 -2.304 85 HA LYS 10 HA LYS 10 -8.123 9.300 -2.690 86 HB2 LYS 10 1HB LYS 10 -6.528 10.900 -4.699 87 HB3 LYS 10 2HB LYS 10 -7.741 9.651 -5.029 88 HG2 LYS 10 1HG LYS 10 -9.131 11.506 -3.523 89 HG3 LYS 10 2HG LYS 10 -8.082 12.492 -4.556 90 HD2 LYS 10 1HD LYS 10 -9.545 10.217 -5.813 91 HD3 LYS 10 2HD LYS 10 -10.463 11.667 -5.373 92 HE2 LYS 10 1HE LYS 10 -9.325 13.022 -6.865 93 HE3 LYS 10 2HE LYS 10 -7.903 11.969 -6.878 94 HZ1 LYS 10 3HZ LYS 10 -9.297 11.930 -8.940 95 HZ2 LYS 10 1HZ LYS 10 -10.505 11.158 -8.041 96 HZ3 LYS 10 2HZ LYS 10 -8.999 10.415 -8.250 97 H LEU 11 H LEU 11 -4.877 10.578 -2.450 98 HA LEU 11 HA LEU 11 -3.376 8.554 -3.570 99 HG LEU 11 HG LEU 11 -3.129 11.722 -2.735 100 HB2 LEU 11 1HB LEU 11 -2.740 10.066 -1.031 101 HB3 LEU 11 2HB LEU 11 -1.581 9.221 -2.072 102 HD11 LEU 11 1HD1 LEU 11 -1.331 12.376 -1.429 103 HD12 LEU 11 2HD1 LEU 11 -0.688 12.503 -3.065 104 HD13 LEU 11 3HD1 LEU 11 -0.278 11.112 -2.063 105 HD21 LEU 11 3HD2 LEU 11 -2.999 10.314 -4.707 106 HD22 LEU 11 1HD2 LEU 11 -1.265 10.098 -4.463 107 HD23 LEU 11 2HD2 LEU 11 -1.906 11.691 -4.866 108 H PHE 12 H PHE 12 -4.736 8.728 -0.302 109 HA PHE 12 HA PHE 12 -3.640 6.218 0.518 110 HD1 PHE 12 HD1 PHE 12 -2.274 7.089 1.664 111 HD2 PHE 12 HD2 PHE 12 -5.363 9.543 3.261 112 HE1 PHE 12 HE1 PHE 12 -0.578 8.585 2.634 113 HE2 PHE 12 HE2 PHE 12 -3.672 11.043 4.234 114 HZ PHE 12 HZ PHE 12 -1.277 10.565 3.921 115 HB2 PHE 12 1HB PHE 12 -5.902 7.849 1.704 116 HB3 PHE 12 2HB PHE 12 -5.114 6.478 2.486 117 H GLU 13 H GLU 13 -6.546 7.245 -1.083 118 HA GLU 13 HA GLU 13 -8.271 5.144 -0.564 119 HE2 GLU 13 HE2 GLU 13 -11.046 6.893 -5.126 120 HB2 GLU 13 1HB GLU 13 -8.319 7.350 -2.181 121 HB3 GLU 13 2HB GLU 13 -8.262 6.036 -3.366 122 HG2 GLU 13 1HG GLU 13 -10.207 4.990 -2.150 123 HG3 GLU 13 2HG GLU 13 -10.328 6.501 -1.237 124 H GLU 14 H GLU 14 -5.421 5.231 -2.550 125 HA GLU 14 HA GLU 14 -5.988 2.835 -4.011 126 HE2 GLU 14 HE2 GLU 14 -2.055 5.680 -7.139 127 HB2 GLU 14 1HB GLU 14 -3.307 4.153 -3.533 128 HB3 GLU 14 2HB GLU 14 -3.711 2.998 -4.811 129 HG2 GLU 14 1HG GLU 14 -5.517 4.822 -5.429 130 HG3 GLU 14 2HG GLU 14 -4.379 5.881 -4.584 131 H TRP 15 H TRP 15 -4.283 3.625 -1.045 132 HA TRP 15 HA TRP 15 -2.946 1.201 -0.642 133 HD1 TRP 15 HD1 TRP 15 -2.555 -0.256 1.259 134 HE1 TRP 15 HE1 TRP 15 -0.541 -0.702 2.799 135 HE3 TRP 15 HE3 TRP 15 -1.496 4.556 2.624 136 HZ2 TRP 15 HZ2 TRP 15 1.258 0.790 4.383 137 HZ3 TRP 15 HZ3 TRP 15 0.387 4.960 4.156 138 HH2 TRP 15 HH2 TRP 15 1.733 3.115 5.016 139 HB2 TRP 15 1HB TRP 15 -2.876 3.492 0.664 140 HB3 TRP 15 2HB TRP 15 -4.094 2.714 1.675 141 H LYS 16 H LYS 16 -6.161 2.241 0.467 142 HA LYS 16 HA LYS 16 -6.763 -0.293 1.660 143 HB2 LYS 16 1HB LYS 16 -8.890 0.611 2.180 144 HB3 LYS 16 2HB LYS 16 -7.736 1.944 2.346 145 HG2 LYS 16 1HG LYS 16 -8.370 2.762 0.109 146 HG3 LYS 16 2HG LYS 16 -9.567 1.459 0.005 147 HD2 LYS 16 1HD LYS 16 -9.715 3.118 2.445 148 HD3 LYS 16 2HD LYS 16 -10.110 3.944 0.927 149 HE2 LYS 16 1HE LYS 16 -11.318 1.261 1.500 150 HE3 LYS 16 2HE LYS 16 -11.975 2.708 2.283 151 HZ1 LYS 16 3HZ LYS 16 -13.081 2.120 0.166 152 HZ2 LYS 16 1HZ LYS 16 -11.633 2.428 -0.653 153 HZ3 LYS 16 2HZ LYS 16 -12.426 3.679 0.165 154 H LYS 17 H LYS 17 -7.324 1.220 -1.445 155 HA LYS 17 HA LYS 17 -9.292 -0.550 -2.413 156 HB2 LYS 17 1HB LYS 17 -7.414 1.430 -3.583 157 HB3 LYS 17 2HB LYS 17 -8.054 0.200 -4.685 158 HG2 LYS 17 1HG LYS 17 -10.118 1.405 -3.010 159 HG3 LYS 17 2HG LYS 17 -9.272 2.572 -4.040 160 HD2 LYS 17 1HD LYS 17 -9.642 0.765 -5.906 161 HD3 LYS 17 2HD LYS 17 -10.929 0.213 -4.819 162 HE2 LYS 17 1HE LYS 17 -12.245 1.758 -5.752 163 HE3 LYS 17 2HE LYS 17 -11.262 2.963 -4.907 164 HZ1 LYS 17 3HZ LYS 17 -11.355 2.320 -7.710 165 HZ2 LYS 17 1HZ LYS 17 -9.781 2.428 -7.101 166 HZ3 LYS 17 2HZ LYS 17 -10.840 3.737 -6.942 167 H LEU 18 H LEU 18 -5.786 -0.482 -3.082 168 HA LEU 18 HA LEU 18 -5.637 -2.843 -4.531 169 HG LEU 18 HG LEU 18 -4.384 -0.772 -5.290 170 HB2 LEU 18 1HB LEU 18 -3.653 -1.436 -2.757 171 HB3 LEU 18 2HB LEU 18 -3.243 -2.920 -3.634 172 HD11 LEU 18 1HD1 LEU 18 -2.723 0.198 -3.452 173 HD12 LEU 18 2HD1 LEU 18 -2.741 0.781 -5.115 174 HD13 LEU 18 3HD1 LEU 18 -1.529 -0.394 -4.606 175 HD21 LEU 18 3HD2 LEU 18 -1.796 -1.863 -6.001 176 HD22 LEU 18 1HD2 LEU 18 -3.321 -1.903 -6.886 177 HD23 LEU 18 2HD2 LEU 18 -2.980 -3.128 -5.664 178 H ALA 19 H ALA 19 -5.439 -2.339 -1.034 179 HA ALA 19 HA ALA 19 -4.769 -4.937 -0.269 180 HB1 ALA 19 3HB ALA 19 -5.011 -4.177 1.828 181 HB2 ALA 19 1HB ALA 19 -5.225 -2.608 1.052 182 HB3 ALA 19 2HB ALA 19 -6.634 -3.559 1.524 183 H GLU 20 H GLU 20 -7.746 -3.640 -1.448 184 HA GLU 20 HA GLU 20 -9.458 -5.672 -0.400 185 HE2 GLU 20 HE2 GLU 20 -12.127 -2.140 0.761 186 HB2 GLU 20 1HB GLU 20 -9.930 -3.247 -1.448 187 HB3 GLU 20 2HB GLU 20 -10.216 -4.238 -2.888 188 HG2 GLU 20 1HG GLU 20 -12.217 -4.850 -2.164 189 HG3 GLU 20 2HG GLU 20 -11.540 -5.397 -0.624 190 H GLU 21 H GLU 21 -8.024 -5.083 -3.603 191 HA GLU 21 HA GLU 21 -9.026 -7.522 -4.706 192 HE2 GLU 21 HE2 GLU 21 -9.580 -5.356 -9.365 193 HB2 GLU 21 1HB GLU 21 -6.761 -5.797 -5.733 194 HB3 GLU 21 2HB GLU 21 -7.703 -6.979 -6.654 195 HG2 GLU 21 1HG GLU 21 -9.441 -5.027 -5.435 196 HG3 GLU 21 2HG GLU 21 -8.188 -4.246 -6.411 197 H ALA 22 H ALA 22 -5.784 -6.436 -3.708 198 HA ALA 22 HA ALA 22 -4.369 -8.753 -4.237 199 HB1 ALA 22 3HB ALA 22 -3.352 -6.613 -3.564 200 HB2 ALA 22 1HB ALA 22 -3.917 -6.882 -1.915 201 HB3 ALA 22 2HB ALA 22 -2.733 -7.977 -2.632 202 H ALA 23 H ALA 23 -6.545 -8.037 -1.605 203 HA ALA 23 HA ALA 23 -5.760 -10.194 0.081 204 HB1 ALA 23 3HB ALA 23 -8.028 -8.274 0.001 205 HB2 ALA 23 1HB ALA 23 -8.200 -9.734 0.976 206 HB3 ALA 23 2HB ALA 23 -6.877 -8.613 1.293 207 H LYS 24 H LYS 24 -8.580 -9.735 -2.054 208 HA LYS 24 HA LYS 24 -9.581 -12.353 -1.741 209 HB2 LYS 24 1HB LYS 24 -10.899 -11.855 -3.800 210 HB3 LYS 24 2HB LYS 24 -11.033 -10.614 -2.543 211 HG2 LYS 24 1HG LYS 24 -9.412 -9.215 -3.733 212 HG3 LYS 24 2HG LYS 24 -9.290 -10.454 -4.995 213 HD2 LYS 24 1HD LYS 24 -10.808 -8.932 -5.897 214 HD3 LYS 24 2HD LYS 24 -11.848 -10.188 -5.205 215 HE2 LYS 24 1HE LYS 24 -12.154 -8.821 -3.177 216 HE3 LYS 24 2HE LYS 24 -11.134 -7.565 -3.895 217 HZ1 LYS 24 3HZ LYS 24 -13.839 -8.419 -4.702 218 HZ2 LYS 24 1HZ LYS 24 -12.823 -7.630 -5.803 219 HZ3 LYS 24 2HZ LYS 24 -13.272 -6.861 -4.364 220 H LEU 25 H LEU 25 -7.232 -10.951 -3.925 221 HA LEU 25 HA LEU 25 -7.111 -13.228 -5.665 222 HG LEU 25 HG LEU 25 -7.314 -11.134 -7.375 223 HB2 LEU 25 1HB LEU 25 -5.895 -10.589 -5.481 224 HB3 LEU 25 2HB LEU 25 -4.737 -11.837 -5.971 225 HD11 LEU 25 1HD1 LEU 25 -5.360 -9.557 -7.588 226 HD12 LEU 25 2HD1 LEU 25 -5.963 -10.239 -9.098 227 HD13 LEU 25 3HD1 LEU 25 -4.488 -10.874 -8.370 228 HD21 LEU 25 3HD2 LEU 25 -5.270 -13.280 -7.909 229 HD22 LEU 25 1HD2 LEU 25 -6.432 -12.721 -9.113 230 HD23 LEU 25 2HD2 LEU 25 -7.001 -13.475 -7.623 231 H LEU 26 H LEU 26 -5.205 -12.017 -2.947 232 HA LEU 26 HA LEU 26 -3.039 -13.716 -3.026 233 HG LEU 26 HG LEU 26 -2.475 -11.269 -1.998 234 HB2 LEU 26 1HB LEU 26 -4.481 -12.226 -0.928 235 HB3 LEU 26 2HB LEU 26 -3.496 -13.585 -0.357 236 HD11 LEU 26 1HD1 LEU 26 -1.228 -10.847 0.215 237 HD12 LEU 26 2HD1 LEU 26 -2.498 -11.830 0.943 238 HD13 LEU 26 3HD1 LEU 26 -2.914 -10.345 0.088 239 HD21 LEU 26 3HD2 LEU 26 -0.258 -12.252 -1.159 240 HD22 LEU 26 1HD2 LEU 26 -1.080 -13.075 -2.485 241 HD23 LEU 26 2HD2 LEU 26 -1.185 -13.720 -0.847 242 H GLU 27 H GLU 27 -6.179 -14.305 -1.459 243 HA GLU 27 HA GLU 27 -5.435 -17.087 -0.992 244 HE2 GLU 27 HE2 GLU 27 -8.056 -16.863 3.548 245 HB2 GLU 27 1HB GLU 27 -8.061 -15.781 -0.284 246 HB3 GLU 27 2HB GLU 27 -7.335 -17.234 0.422 247 HG2 GLU 27 1HG GLU 27 -5.432 -15.634 1.162 248 HG3 GLU 27 2HG GLU 27 -6.633 -14.367 0.873 249 H GLY 28 H GLY 28 -6.282 -15.637 -3.636 250 HA2 GLY 28 1HA GLY 28 -8.686 -16.760 -4.533 251 HA3 GLY 28 2HA GLY 28 -7.362 -16.246 -5.567 252 H GLY 29 H GLY 29 -5.732 -18.294 -3.839 253 HA2 GLY 29 1HA GLY 29 -6.176 -20.822 -3.860 254 HA3 GLY 29 2HA GLY 29 -6.407 -20.570 -5.584 255 H GLY 30 H GLY 30 -3.991 -19.172 -3.385 256 HA2 GLY 30 1HA GLY 30 -1.855 -20.839 -4.155 257 HA3 GLY 30 2HA GLY 30 -1.867 -19.422 -5.195 258 H GLY 31 H GLY 31 -1.510 -17.352 -4.273 259 HA2 GLY 31 1HA GLY 31 -0.375 -15.903 -2.901 260 HA3 GLY 31 2HA GLY 31 -1.129 -16.784 -1.581 261 H GLY 32 H GLY 32 0.149 -17.894 -0.238 262 HA2 GLY 32 1HA GLY 32 2.794 -18.747 -1.189 263 HA3 GLY 32 2HA GLY 32 2.700 -17.718 0.232 264 H GLY 33 H GLY 33 2.429 -18.644 2.175 265 HA2 GLY 33 1HA GLY 33 1.872 -21.543 2.193 266 HA3 GLY 33 2HA GLY 33 2.885 -20.720 3.368 267 H GLY 34 H GLY 34 1.186 -18.496 3.852 268 HA2 GLY 34 1HA GLY 34 -1.110 -18.119 4.582 269 HA3 GLY 34 2HA GLY 34 -1.170 -19.812 5.049 270 H GLY 35 H GLY 35 -0.835 -16.716 6.183 271 HA2 GLY 35 1HA GLY 35 -0.829 -16.996 8.786 272 HA3 GLY 35 2HA GLY 35 0.833 -17.475 8.472 273 H GLU 36 H GLU 36 1.996 -15.840 9.304 274 HA GLU 36 HA GLU 36 1.265 -13.151 9.392 275 HE2 GLU 36 HE2 GLU 36 6.836 -12.348 11.313 276 HB2 GLU 36 1HB GLU 36 3.015 -13.954 10.816 277 HB3 GLU 36 2HB GLU 36 3.986 -14.457 9.424 278 HG2 GLU 36 1HG GLU 36 4.473 -12.226 8.815 279 HG3 GLU 36 2HG GLU 36 3.248 -11.591 9.922 280 H LEU 37 H LEU 37 2.849 -15.007 6.882 281 HA LEU 37 HA LEU 37 3.787 -12.851 5.325 282 HG LEU 37 HG LEU 37 2.723 -14.469 2.617 283 HB2 LEU 37 1HB LEU 37 4.715 -14.943 4.842 284 HB3 LEU 37 2HB LEU 37 3.122 -15.712 4.734 285 HD11 LEU 37 1HD1 LEU 37 5.324 -13.315 3.358 286 HD12 LEU 37 2HD1 LEU 37 4.012 -12.641 2.392 287 HD13 LEU 37 3HD1 LEU 37 5.149 -13.775 1.664 288 HD21 LEU 37 3HD2 LEU 37 5.264 -16.058 2.433 289 HD22 LEU 37 1HD2 LEU 37 3.935 -15.962 1.278 290 HD23 LEU 37 2HD2 LEU 37 3.713 -16.811 2.808 291 H MET 38 H MET 38 0.797 -14.767 5.130 292 HA MET 38 HA MET 38 -0.285 -13.273 2.962 293 HB2 MET 38 1HB MET 38 -1.060 -15.507 3.277 294 HB3 MET 38 2HB MET 38 -1.524 -15.172 4.951 295 HG2 MET 38 1HG MET 38 -3.263 -13.617 4.148 296 HG3 MET 38 2HG MET 38 -2.822 -14.031 2.489 297 HE1 MET 38 3HE MET 38 -3.865 -17.459 1.837 298 HE2 MET 38 1HE MET 38 -2.444 -16.415 1.845 299 HE3 MET 38 2HE MET 38 -2.611 -17.687 3.056 300 H LYS 39 H LYS 39 -0.800 -13.224 6.471 301 HA LYS 39 HA LYS 39 -2.794 -11.224 6.466 302 HB2 LYS 39 1HB LYS 39 -2.435 -12.710 8.374 303 HB3 LYS 39 2HB LYS 39 -0.836 -11.997 8.638 304 HG2 LYS 39 1HG LYS 39 -2.763 -9.894 8.596 305 HG3 LYS 39 2HG LYS 39 -3.319 -11.169 9.695 306 HD2 LYS 39 1HD LYS 39 -1.174 -11.122 10.871 307 HD3 LYS 39 2HD LYS 39 -0.595 -9.867 9.761 308 HE2 LYS 39 1HE LYS 39 -1.288 -8.515 11.462 309 HE3 LYS 39 2HE LYS 39 -2.815 -8.656 10.579 310 HZ1 LYS 39 3HZ LYS 39 -3.526 -10.380 12.076 311 HZ2 LYS 39 1HZ LYS 39 -3.064 -9.026 12.977 312 HZ3 LYS 39 2HZ LYS 39 -2.037 -10.366 12.879 313 H LEU 40 H LEU 40 0.675 -11.106 6.299 314 HA LEU 40 HA LEU 40 1.201 -8.531 7.180 315 HG LEU 40 HG LEU 40 3.210 -10.004 7.805 316 HB2 LEU 40 1HB LEU 40 2.497 -10.496 5.435 317 HB3 LEU 40 2HB LEU 40 2.907 -8.814 5.053 318 HD11 LEU 40 1HD1 LEU 40 5.076 -9.966 5.468 319 HD12 LEU 40 2HD1 LEU 40 4.720 -11.276 6.592 320 HD13 LEU 40 3HD1 LEU 40 5.698 -9.907 7.117 321 HD21 LEU 40 3HD2 LEU 40 4.639 -7.628 6.672 322 HD22 LEU 40 1HD2 LEU 40 4.371 -8.068 8.359 323 HD23 LEU 40 2HD2 LEU 40 3.032 -7.469 7.380 324 H CYS 41 H CYS 41 0.052 -9.634 4.028 325 HA CYS 41 HA CYS 41 0.191 -7.089 2.769 326 HG CYS 41 HG CYS 41 -1.581 -8.652 -0.619 327 HB2 CYS 41 1HB CYS 41 0.177 -9.095 1.440 328 HB3 CYS 41 2HB CYS 41 -1.401 -9.568 2.090 329 H GLU 42 H GLU 42 -2.309 -8.807 4.553 330 HA GLU 42 HA GLU 42 -4.507 -7.216 3.943 331 HE2 GLU 42 HE2 GLU 42 -8.059 -10.719 5.966 332 HB2 GLU 42 1HB GLU 42 -4.341 -9.402 5.325 333 HB3 GLU 42 2HB GLU 42 -4.072 -8.322 6.702 334 HG2 GLU 42 1HG GLU 42 -6.246 -7.979 6.911 335 HG3 GLU 42 2HG GLU 42 -6.326 -7.380 5.248 336 H GLU 43 H GLU 43 -1.757 -6.557 5.933 337 HA GLU 43 HA GLU 43 -2.722 -4.621 7.663 338 HE2 GLU 43 HE2 GLU 43 -1.368 -6.239 10.993 339 HB2 GLU 43 1HB GLU 43 -0.038 -4.625 6.261 340 HB3 GLU 43 2HB GLU 43 -0.438 -3.757 7.752 341 HG2 GLU 43 1HG GLU 43 -0.808 -6.719 7.655 342 HG3 GLU 43 2HG GLU 43 0.820 -6.047 7.827 343 H ALA 44 H ALA 44 -2.070 -4.431 4.247 344 HA ALA 44 HA ALA 44 -1.830 -1.715 3.830 345 HB1 ALA 44 3HB ALA 44 -3.335 -2.471 1.687 346 HB2 ALA 44 1HB ALA 44 -1.591 -2.689 1.826 347 HB3 ALA 44 2HB ALA 44 -2.681 -4.015 2.232 348 H ALA 45 H ALA 45 -4.790 -3.625 4.222 349 HA ALA 45 HA ALA 45 -6.536 -1.388 3.837 350 HB1 ALA 45 3HB ALA 45 -6.800 -4.232 4.209 351 HB2 ALA 45 1HB ALA 45 -7.953 -3.356 5.215 352 HB3 ALA 45 2HB ALA 45 -7.920 -3.086 3.473 353 H LYS 46 H LYS 46 -4.799 -2.709 6.504 354 HA LYS 46 HA LYS 46 -6.455 -1.574 8.556 355 HB2 LYS 46 1HB LYS 46 -4.228 -3.364 8.406 356 HB3 LYS 46 2HB LYS 46 -3.836 -2.062 9.539 357 HG2 LYS 46 1HG LYS 46 -6.063 -2.519 10.653 358 HG3 LYS 46 2HG LYS 46 -6.136 -3.988 9.665 359 HD2 LYS 46 1HD LYS 46 -4.098 -4.830 10.642 360 HD3 LYS 46 2HD LYS 46 -3.858 -3.310 11.523 361 HE2 LYS 46 1HE LYS 46 -4.756 -4.710 13.153 362 HE3 LYS 46 2HE LYS 46 -6.164 -3.809 12.571 363 HZ1 LYS 46 3HZ LYS 46 -5.666 -6.607 12.483 364 HZ2 LYS 46 1HZ LYS 46 -5.999 -6.009 10.935 365 HZ3 LYS 46 2HZ LYS 46 -7.105 -5.766 12.192 366 H LYS 47 H LYS 47 -3.253 -0.795 7.210 367 HA LYS 47 HA LYS 47 -2.838 1.531 8.741 368 HB2 LYS 47 1HB LYS 47 -1.601 0.230 6.414 369 HB3 LYS 47 2HB LYS 47 -1.428 1.992 6.432 370 HG2 LYS 47 1HG LYS 47 0.411 1.538 7.644 371 HG3 LYS 47 2HG LYS 47 -0.755 1.439 8.975 372 HD2 LYS 47 1HD LYS 47 -0.394 -1.047 7.417 373 HD3 LYS 47 2HD LYS 47 1.011 -0.516 8.359 374 HE2 LYS 47 1HE LYS 47 -1.651 -0.492 9.704 375 HE3 LYS 47 2HE LYS 47 -0.881 -2.057 9.400 376 HZ1 LYS 47 3HZ LYS 47 0.273 0.208 10.932 377 HZ2 LYS 47 1HZ LYS 47 1.114 -1.208 10.547 378 HZ3 LYS 47 2HZ LYS 47 -0.244 -1.278 11.554 379 H ALA 48 H ALA 48 -4.068 1.108 5.429 380 HA ALA 48 HA ALA 48 -4.436 3.752 4.730 381 HB1 ALA 48 3HB ALA 48 -6.548 1.816 3.946 382 HB2 ALA 48 1HB ALA 48 -5.667 2.990 2.968 383 HB3 ALA 48 2HB ALA 48 -4.888 1.483 3.453 384 H GLU 49 H GLU 49 -6.480 1.684 6.721 385 HA GLU 49 HA GLU 49 -8.690 3.444 6.877 386 HE2 GLU 49 HE2 GLU 49 -11.467 -0.798 7.572 387 HB2 GLU 49 1HB GLU 49 -8.437 0.913 7.530 388 HB3 GLU 49 2HB GLU 49 -8.002 1.577 9.113 389 HG2 GLU 49 1HG GLU 49 -10.147 1.744 9.611 390 HG3 GLU 49 2HG GLU 49 -10.322 2.933 8.312 391 H GLU 50 H GLU 50 -5.715 3.147 8.710 392 HA GLU 50 HA GLU 50 -6.504 4.930 10.802 393 HE2 GLU 50 HE2 GLU 50 -4.268 4.399 14.579 394 HB2 GLU 50 1HB GLU 50 -3.858 3.788 9.920 395 HB3 GLU 50 2HB GLU 50 -3.976 4.965 11.237 396 HG2 GLU 50 1HG GLU 50 -5.715 2.553 11.356 397 HG3 GLU 50 2HG GLU 50 -3.986 2.368 11.686 398 H LEU 51 H LEU 51 -4.649 5.248 7.812 399 HA LEU 51 HA LEU 51 -3.947 7.980 8.246 400 HG LEU 51 HG LEU 51 -1.836 6.779 7.730 401 HB2 LEU 51 1HB LEU 51 -3.696 5.999 6.058 402 HB3 LEU 51 2HB LEU 51 -3.699 7.707 5.585 403 HD11 LEU 51 1HD1 LEU 51 -1.843 5.458 5.367 404 HD12 LEU 51 2HD1 LEU 51 -0.408 5.727 6.355 405 HD13 LEU 51 3HD1 LEU 51 -0.759 6.800 5.000 406 HD21 LEU 51 3HD2 LEU 51 -0.800 8.632 5.804 407 HD22 LEU 51 1HD2 LEU 51 -1.057 8.847 7.536 408 HD23 LEU 51 2HD2 LEU 51 -2.361 9.196 6.401 409 H PHE 52 H PHE 52 -6.376 6.356 6.221 410 HA PHE 52 HA PHE 52 -7.488 8.583 5.006 411 HD1 PHE 52 HD1 PHE 52 -9.250 8.728 3.378 412 HD2 PHE 52 HD2 PHE 52 -11.046 5.887 5.987 413 HE1 PHE 52 HE1 PHE 52 -11.479 9.505 2.683 414 HE2 PHE 52 HE2 PHE 52 -13.278 6.658 5.296 415 HZ PHE 52 HZ PHE 52 -13.496 8.470 3.642 416 HB2 PHE 52 1HB PHE 52 -8.117 6.387 4.278 417 HB3 PHE 52 2HB PHE 52 -8.767 5.987 5.870 418 H LYS 53 H LYS 53 -7.789 7.463 8.271 419 HA LYS 53 HA LYS 53 -10.156 8.611 9.106 420 HB2 LYS 53 1HB LYS 53 -8.427 7.189 10.406 421 HB3 LYS 53 2HB LYS 53 -7.678 8.744 10.802 422 HG2 LYS 53 1HG LYS 53 -9.079 8.201 12.623 423 HG3 LYS 53 2HG LYS 53 -9.912 9.469 11.706 424 HD2 LYS 53 1HD LYS 53 -11.037 7.441 10.476 425 HD3 LYS 53 2HD LYS 53 -10.561 6.562 11.940 426 HE2 LYS 53 1HE LYS 53 -12.247 7.444 13.106 427 HE3 LYS 53 2HE LYS 53 -11.756 9.081 12.643 428 HZ1 LYS 53 3HZ LYS 53 -13.664 9.121 11.518 429 HZ2 LYS 53 1HZ LYS 53 -13.868 7.443 11.590 430 HZ3 LYS 53 2HZ LYS 53 -12.902 8.126 10.382 431 H LEU 54 H LEU 54 -6.927 10.126 9.225 432 HA LEU 54 HA LEU 54 -8.003 12.695 9.889 433 HG LEU 54 HG LEU 54 -6.662 12.915 11.578 434 HB2 LEU 54 1HB LEU 54 -5.359 11.484 9.520 435 HB3 LEU 54 2HB LEU 54 -5.461 13.172 8.988 436 HD11 LEU 54 1HD1 LEU 54 -4.884 12.120 12.900 437 HD12 LEU 54 2HD1 LEU 54 -3.778 12.069 11.527 438 HD13 LEU 54 3HD1 LEU 54 -5.107 10.914 11.631 439 HD21 LEU 54 3HD2 LEU 54 -5.530 14.840 11.956 440 HD22 LEU 54 1HD2 LEU 54 -5.380 14.816 10.199 441 HD23 LEU 54 2HD2 LEU 54 -4.048 14.247 11.205 442 H ALA 55 H ALA 55 -7.384 10.984 6.974 443 HA ALA 55 HA ALA 55 -6.898 13.007 5.144 444 HB1 ALA 55 3HB ALA 55 -6.957 10.487 4.765 445 HB2 ALA 55 1HB ALA 55 -8.696 10.680 4.534 446 HB3 ALA 55 2HB ALA 55 -7.565 11.511 3.464 447 H GLU 56 H GLU 56 -9.862 12.134 6.762 448 HA GLU 56 HA GLU 56 -11.574 13.655 5.034 449 HE2 GLU 56 HE2 GLU 56 -12.655 10.302 10.430 450 HB2 GLU 56 1HB GLU 56 -13.339 13.105 6.525 451 HB3 GLU 56 2HB GLU 56 -12.295 11.679 6.426 452 HG2 GLU 56 1HG GLU 56 -11.179 12.877 8.549 453 HG3 GLU 56 2HG GLU 56 -12.837 13.475 8.702 454 H GLU 57 H GLU 57 -9.653 14.305 7.840 455 HA GLU 57 HA GLU 57 -10.973 16.597 8.797 456 HE2 GLU 57 HE2 GLU 57 -10.948 19.387 11.509 457 HB2 GLU 57 1HB GLU 57 -9.273 15.403 10.095 458 HB3 GLU 57 2HB GLU 57 -8.037 15.891 8.927 459 HG2 GLU 57 1HG GLU 57 -7.917 17.274 10.909 460 HG3 GLU 57 2HG GLU 57 -8.404 18.234 9.505 461 H ARG 58 H ARG 58 -8.304 16.231 6.483 462 HA ARG 58 HA ARG 58 -8.238 19.066 5.939 463 HE ARG 58 HE ARG 58 -6.769 15.624 7.510 464 HB2 ARG 58 1HB ARG 58 -6.585 18.330 4.137 465 HB3 ARG 58 2HB ARG 58 -6.128 18.028 5.821 466 HG2 ARG 58 1HG ARG 58 -7.572 15.773 4.748 467 HG3 ARG 58 2HG ARG 58 -6.184 16.188 3.728 468 HD2 ARG 58 1HD ARG 58 -5.765 14.538 5.633 469 HD3 ARG 58 2HD ARG 58 -4.657 15.909 5.486 470 HH11 ARG 58 1HH1 ARG 58 -3.891 17.176 6.316 471 HH12 ARG 58 2HH1 ARG 58 -3.594 18.047 7.784 472 HH21 ARG 58 1HH2 ARG 58 -6.389 16.765 9.449 473 HH22 ARG 58 2HH2 ARG 58 -5.015 17.811 9.566 474 H LEU 59 H LEU 59 -10.066 16.443 4.879 475 HA LEU 59 HA LEU 59 -10.844 17.902 2.440 476 HG LEU 59 HG LEU 59 -12.744 15.260 1.729 477 HB2 LEU 59 1HB LEU 59 -9.789 15.905 1.728 478 HB3 LEU 59 2HB LEU 59 -10.645 14.946 2.949 479 HD11 LEU 59 1HD1 LEU 59 -11.009 16.907 -0.079 480 HD12 LEU 59 2HD1 LEU 59 -12.545 17.335 0.672 481 HD13 LEU 59 3HD1 LEU 59 -12.505 16.167 -0.648 482 HD21 LEU 59 3HD2 LEU 59 -11.774 13.273 1.104 483 HD22 LEU 59 1HD2 LEU 59 -10.364 14.058 0.392 484 HD23 LEU 59 2HD2 LEU 59 -11.911 14.087 -0.454 485 H LYS 60 H LYS 60 -12.274 15.130 4.133 486 HA LYS 60 HA LYS 60 -14.297 14.830 5.137 487 HB2 LYS 60 1HB LYS 60 -13.686 17.608 5.596 488 HB3 LYS 60 2HB LYS 60 -15.425 17.410 5.319 489 HG2 LYS 60 1HG LYS 60 -15.704 16.022 7.167 490 HG3 LYS 60 2HG LYS 60 -13.974 15.643 7.250 491 HD2 LYS 60 1HD LYS 60 -14.429 17.128 9.052 492 HD3 LYS 60 2HD LYS 60 -13.574 18.066 7.815 493 HE2 LYS 60 1HE LYS 60 -15.356 19.443 8.550 494 HE3 LYS 60 2HE LYS 60 -15.842 18.800 6.975 495 HZ1 LYS 60 3HZ LYS 60 -17.390 18.728 9.138 496 HZ2 LYS 60 1HZ LYS 60 -16.644 17.215 9.269 497 HZ3 LYS 60 2HZ LYS 60 -17.509 17.613 7.871 498 H LYS 61 H LYS 61 -16.753 15.799 4.820 499 HA LYS 61 HA LYS 61 -18.541 15.940 3.419 500 HB2 LYS 61 1HB LYS 61 -16.648 17.675 2.339 501 HB3 LYS 61 2HB LYS 61 -17.161 16.679 0.968 502 HG2 LYS 61 1HG LYS 61 -18.741 18.287 0.794 503 HG3 LYS 61 2HG LYS 61 -19.563 17.248 1.971 504 HD2 LYS 61 1HD LYS 61 -18.262 18.693 3.731 505 HD3 LYS 61 2HD LYS 61 -18.164 19.855 2.396 506 HE2 LYS 61 1HE LYS 61 -20.442 20.215 2.342 507 HE3 LYS 61 2HE LYS 61 -20.803 18.626 3.032 508 HZ1 LYS 61 3HZ LYS 61 -19.323 20.299 4.828 509 HZ2 LYS 61 1HZ LYS 61 -20.760 19.443 5.087 510 HZ3 LYS 61 2HZ LYS 61 -20.806 20.981 4.386 511 H LEU 62 H LEU 62 -16.662 13.578 3.521 512 HA LEU 62 HA LEU 62 -16.389 12.285 1.103 513 HG LEU 62 HG LEU 62 -14.558 10.521 3.660 514 HB2 LEU 62 1HB LEU 62 -17.184 10.980 3.710 515 HB3 LEU 62 2HB LEU 62 -16.367 10.211 2.338 516 HD11 LEU 62 1HD1 LEU 62 -14.620 13.377 2.765 517 HD12 LEU 62 2HD1 LEU 62 -14.448 12.065 1.598 518 HD13 LEU 62 3HD1 LEU 62 -13.251 12.270 2.877 519 HD21 LEU 62 3HD2 LEU 62 -14.490 11.763 5.556 520 HD22 LEU 62 1HD2 LEU 62 -16.239 11.758 5.324 521 HD23 LEU 62 2HD2 LEU 62 -15.286 13.151 4.809 522 HA MET 1 HA MET 1 11.060 -22.223 -15.810 523 H1 MET 1 1H MET 1 12.965 -20.984 -15.720 524 HB2 MET 1 1HB MET 1 12.769 -23.992 -15.275 525 HB3 MET 1 2HB MET 1 12.298 -23.834 -13.576 526 HG2 MET 1 1HG MET 1 9.876 -24.204 -14.792 527 HG3 MET 1 2HG MET 1 10.951 -25.196 -15.780 528 HE1 MET 1 3HE MET 1 12.830 -27.114 -12.977 529 HE2 MET 1 1HE MET 1 12.119 -27.798 -14.440 530 HE3 MET 1 2HE MET 1 12.961 -26.249 -14.510 531 H LYS 2 H LYS 2 10.222 -20.131 -14.766 532 HA LYS 2 HA LYS 2 8.385 -20.888 -12.697 533 HB2 LYS 2 1HB LYS 2 9.035 -19.260 -11.037 534 HB3 LYS 2 2HB LYS 2 10.412 -20.320 -11.379 535 HG2 LYS 2 1HG LYS 2 10.594 -18.118 -13.150 536 HG3 LYS 2 2HG LYS 2 10.263 -17.484 -11.529 537 HD2 LYS 2 1HD LYS 2 12.244 -18.217 -10.670 538 HD3 LYS 2 2HD LYS 2 12.299 -19.628 -11.740 539 HE2 LYS 2 1HE LYS 2 14.064 -18.163 -12.411 540 HE3 LYS 2 2HE LYS 2 12.792 -18.069 -13.638 541 HZ1 LYS 2 3HZ LYS 2 12.838 -16.129 -11.422 542 HZ2 LYS 2 1HZ LYS 2 12.172 -15.967 -12.970 543 HZ3 LYS 2 2HZ LYS 2 13.849 -15.908 -12.760 544 H LYS 3 H LYS 3 6.722 -19.316 -12.355 545 HA LYS 3 HA LYS 3 6.654 -16.805 -13.635 546 HB2 LYS 3 1HB LYS 3 5.991 -19.105 -15.282 547 HB3 LYS 3 2HB LYS 3 4.629 -17.982 -15.153 548 HG2 LYS 3 1HG LYS 3 5.705 -16.304 -16.267 549 HG3 LYS 3 2HG LYS 3 7.309 -16.856 -15.758 550 HD2 LYS 3 1HD LYS 3 7.315 -17.413 -18.004 551 HD3 LYS 3 2HD LYS 3 6.784 -18.926 -17.248 552 HE2 LYS 3 1HE LYS 3 4.439 -18.343 -17.701 553 HE3 LYS 3 2HE LYS 3 4.974 -16.834 -18.455 554 HZ1 LYS 3 3HZ LYS 3 5.320 -17.892 -20.353 555 HZ2 LYS 3 1HZ LYS 3 4.668 -19.297 -19.674 556 HZ3 LYS 3 2HZ LYS 3 6.336 -19.024 -19.613 557 H LEU 4 H LEU 4 4.778 -19.586 -12.532 558 HA LEU 4 HA LEU 4 2.384 -18.226 -11.967 559 HG LEU 4 HG LEU 4 1.518 -21.796 -11.840 560 HB2 LEU 4 1HB LEU 4 3.624 -20.804 -11.171 561 HB3 LEU 4 2HB LEU 4 2.303 -20.193 -10.161 562 HD11 LEU 4 1HD1 LEU 4 0.251 -19.638 -11.051 563 HD12 LEU 4 2HD1 LEU 4 -0.411 -20.662 -12.325 564 HD13 LEU 4 3HD1 LEU 4 0.437 -19.172 -12.742 565 HD21 LEU 4 3HD2 LEU 4 2.225 -19.766 -13.940 566 HD22 LEU 4 1HD2 LEU 4 1.669 -21.426 -14.158 567 HD23 LEU 4 2HD2 LEU 4 3.288 -21.112 -13.531 568 H ARG 5 H ARG 5 5.186 -18.967 -9.916 569 HA ARG 5 HA ARG 5 4.112 -17.715 -7.595 570 HE ARG 5 HE ARG 5 7.068 -20.499 -10.178 571 HB2 ARG 5 1HB ARG 5 6.434 -17.885 -6.716 572 HB3 ARG 5 2HB ARG 5 5.798 -19.415 -7.342 573 HG2 ARG 5 1HG ARG 5 7.025 -18.428 -9.558 574 HG3 ARG 5 2HG ARG 5 8.061 -17.799 -8.265 575 HD2 ARG 5 1HD ARG 5 9.074 -19.816 -8.476 576 HD3 ARG 5 2HD ARG 5 7.761 -20.321 -7.401 577 HH11 ARG 5 1HH1 ARG 5 8.638 -22.119 -7.526 578 HH12 ARG 5 2HH1 ARG 5 8.411 -23.703 -8.189 579 HH21 ARG 5 1HH2 ARG 5 6.763 -22.579 -11.062 580 HH22 ARG 5 2HH2 ARG 5 7.346 -23.964 -10.201 581 H GLU 6 H GLU 6 6.371 -16.692 -10.122 582 HA GLU 6 HA GLU 6 7.192 -14.267 -9.070 583 HE2 GLU 6 HE2 GLU 6 6.464 -11.716 -13.789 584 HB2 GLU 6 1HB GLU 6 8.015 -15.398 -11.177 585 HB3 GLU 6 2HB GLU 6 6.591 -14.733 -11.991 586 HG2 GLU 6 1HG GLU 6 7.784 -12.571 -10.658 587 HG3 GLU 6 2HG GLU 6 9.102 -13.482 -11.410 588 H GLU 7 H GLU 7 4.147 -15.145 -10.516 589 HA GLU 7 HA GLU 7 3.174 -12.566 -11.088 590 HE2 GLU 7 HE2 GLU 7 1.248 -12.332 -14.619 591 HB2 GLU 7 1HB GLU 7 1.749 -15.146 -10.414 592 HB3 GLU 7 2HB GLU 7 0.910 -13.670 -10.916 593 HG2 GLU 7 1HG GLU 7 3.088 -14.502 -12.702 594 HG3 GLU 7 2HG GLU 7 1.732 -15.634 -12.594 595 H ALA 8 H ALA 8 2.569 -14.661 -8.267 596 HA ALA 8 HA ALA 8 1.041 -12.868 -6.787 597 HB1 ALA 8 3HB ALA 8 1.036 -15.048 -5.990 598 HB2 ALA 8 1HB ALA 8 2.795 -15.171 -6.022 599 HB3 ALA 8 2HB ALA 8 2.001 -14.192 -4.788 600 H ALA 9 H ALA 9 4.467 -12.974 -7.333 601 HA ALA 9 HA ALA 9 5.233 -11.341 -5.126 602 HB1 ALA 9 3HB ALA 9 7.205 -12.133 -5.765 603 HB2 ALA 9 1HB ALA 9 6.534 -12.691 -7.298 604 HB3 ALA 9 2HB ALA 9 7.149 -11.043 -7.151 605 H LYS 10 H LYS 10 4.391 -10.713 -8.494 606 HA LYS 10 HA LYS 10 5.158 -8.048 -8.682 607 HB2 LYS 10 1HB LYS 10 2.668 -9.224 -9.932 608 HB3 LYS 10 2HB LYS 10 3.639 -7.869 -10.531 609 HG2 LYS 10 1HG LYS 10 5.465 -9.941 -10.375 610 HG3 LYS 10 2HG LYS 10 3.977 -10.719 -10.943 611 HD2 LYS 10 1HD LYS 10 4.782 -8.139 -12.209 612 HD3 LYS 10 2HD LYS 10 5.691 -9.604 -12.625 613 HE2 LYS 10 1HE LYS 10 3.863 -10.637 -13.606 614 HE3 LYS 10 2HE LYS 10 2.706 -9.667 -12.683 615 HZ1 LYS 10 3HZ LYS 10 2.906 -9.100 -15.099 616 HZ2 LYS 10 1HZ LYS 10 4.457 -8.506 -14.772 617 HZ3 LYS 10 2HZ LYS 10 3.107 -7.796 -14.040 618 H LEU 11 H LEU 11 2.319 -9.488 -7.212 619 HA LEU 11 HA LEU 11 0.658 -7.302 -6.940 620 HG LEU 11 HG LEU 11 0.647 -10.628 -6.838 621 HB2 LEU 11 1HB LEU 11 1.141 -9.406 -4.825 622 HB3 LEU 11 2HB LEU 11 -0.311 -8.411 -5.033 623 HD11 LEU 11 1HD1 LEU 11 -0.429 -11.631 -5.046 624 HD12 LEU 11 2HD1 LEU 11 -1.728 -11.434 -6.222 625 HD13 LEU 11 3HD1 LEU 11 -1.586 -10.311 -4.871 626 HD21 LEU 11 3HD2 LEU 11 -0.254 -8.832 -8.197 627 HD22 LEU 11 1HD2 LEU 11 -1.689 -8.749 -7.173 628 HD23 LEU 11 2HD2 LEU 11 -1.384 -10.187 -8.149 629 H PHE 12 H PHE 12 3.394 -8.253 -4.904 630 HA PHE 12 HA PHE 12 3.042 -6.106 -3.049 631 HD1 PHE 12 HD1 PHE 12 2.394 -7.239 -1.542 632 HD2 PHE 12 HD2 PHE 12 5.522 -9.967 -2.482 633 HE1 PHE 12 HE1 PHE 12 1.255 -8.988 -0.239 634 HE2 PHE 12 HE2 PHE 12 4.389 -11.721 -1.182 635 HZ PHE 12 HZ PHE 12 2.252 -11.234 -0.059 636 HB2 PHE 12 1HB PHE 12 5.436 -7.889 -3.575 637 HB3 PHE 12 2HB PHE 12 5.274 -6.789 -2.204 638 H GLU 13 H GLU 13 4.707 -6.520 -6.066 639 HA GLU 13 HA GLU 13 6.641 -4.545 -5.944 640 HE2 GLU 13 HE2 GLU 13 6.688 -4.870 -11.552 641 HB2 GLU 13 1HB GLU 13 5.708 -6.239 -7.877 642 HB3 GLU 13 2HB GLU 13 5.196 -4.663 -8.500 643 HG2 GLU 13 1HG GLU 13 7.568 -3.876 -8.173 644 HG3 GLU 13 2HG GLU 13 7.988 -5.566 -7.862 645 H GLU 14 H GLU 14 3.182 -4.257 -6.385 646 HA GLU 14 HA GLU 14 3.231 -1.503 -7.161 647 HE2 GLU 14 HE2 GLU 14 -1.821 -3.647 -8.991 648 HB2 GLU 14 1HB GLU 14 0.903 -3.021 -5.974 649 HB3 GLU 14 2HB GLU 14 0.844 -1.581 -7.002 650 HG2 GLU 14 1HG GLU 14 2.094 -3.163 -8.710 651 HG3 GLU 14 2HG GLU 14 1.310 -4.418 -7.739 652 H TRP 15 H TRP 15 3.115 -3.242 -4.148 653 HA TRP 15 HA TRP 15 2.139 -1.211 -2.476 654 HD1 TRP 15 HD1 TRP 15 4.106 -0.692 0.000 655 HE1 TRP 15 HE1 TRP 15 3.105 -0.641 2.371 656 HE3 TRP 15 HE3 TRP 15 1.122 -4.834 -0.289 657 HZ2 TRP 15 HZ2 TRP 15 1.292 -2.156 3.915 658 HZ3 TRP 15 HZ3 TRP 15 -0.214 -5.464 1.680 659 HH2 TRP 15 HH2 TRP 15 -0.129 -4.152 3.737 660 HB2 TRP 15 1HB TRP 15 2.487 -3.677 -1.923 661 HB3 TRP 15 2HB TRP 15 4.185 -3.275 -1.663 662 H LYS 16 H LYS 16 5.499 -2.137 -3.213 663 HA LYS 16 HA LYS 16 6.589 0.104 -1.796 664 HB2 LYS 16 1HB LYS 16 8.722 -0.683 -2.471 665 HB3 LYS 16 2HB LYS 16 7.741 -2.122 -2.152 666 HG2 LYS 16 1HG LYS 16 7.323 -2.363 -4.568 667 HG3 LYS 16 2HG LYS 16 8.368 -0.962 -4.860 668 HD2 LYS 16 1HD LYS 16 9.547 -3.101 -3.195 669 HD3 LYS 16 2HD LYS 16 9.232 -3.523 -4.887 670 HE2 LYS 16 1HE LYS 16 10.601 -0.934 -4.246 671 HE3 LYS 16 2HE LYS 16 11.515 -2.449 -4.196 672 HZ1 LYS 16 3HZ LYS 16 11.597 -1.298 -6.368 673 HZ2 LYS 16 1HZ LYS 16 9.933 -1.551 -6.542 674 HZ3 LYS 16 2HZ LYS 16 10.987 -2.873 -6.471 675 H LYS 17 H LYS 17 5.735 -0.608 -5.115 676 HA LYS 17 HA LYS 17 7.115 1.446 -6.413 677 HB2 LYS 17 1HB LYS 17 4.730 -0.225 -6.996 678 HB3 LYS 17 2HB LYS 17 4.908 1.262 -7.940 679 HG2 LYS 17 1HG LYS 17 7.381 -0.277 -7.771 680 HG3 LYS 17 2HG LYS 17 6.047 -1.163 -8.528 681 HD2 LYS 17 1HD LYS 17 5.694 1.072 -9.858 682 HD3 LYS 17 2HD LYS 17 7.383 1.362 -9.403 683 HE2 LYS 17 1HE LYS 17 7.970 0.142 -11.182 684 HE3 LYS 17 2HE LYS 17 7.371 -1.264 -10.290 685 HZ1 LYS 17 3HZ LYS 17 6.234 0.075 -12.567 686 HZ2 LYS 17 1HZ LYS 17 5.110 -0.223 -11.339 687 HZ3 LYS 17 2HZ LYS 17 5.991 -1.503 -12.008 688 H LEU 18 H LEU 18 3.662 1.449 -5.500 689 HA LEU 18 HA LEU 18 3.168 4.128 -6.018 690 HG LEU 18 HG LEU 18 1.482 2.416 -6.779 691 HB2 LEU 18 1HB LEU 18 1.933 2.146 -4.130 692 HB3 LEU 18 2HB LEU 18 1.370 3.826 -4.186 693 HD11 LEU 18 1HD1 LEU 18 0.541 0.872 -4.825 694 HD12 LEU 18 2HD1 LEU 18 -0.168 0.899 -6.439 695 HD13 LEU 18 3HD1 LEU 18 -0.908 1.826 -5.135 696 HD21 LEU 18 3HD2 LEU 18 -0.994 3.689 -5.972 697 HD22 LEU 18 1HD2 LEU 18 0.058 4.030 -7.346 698 HD23 LEU 18 2HD2 LEU 18 0.397 4.757 -5.776 699 H ALA 19 H ALA 19 4.299 2.595 -3.033 700 HA ALA 19 HA ALA 19 4.244 4.832 -1.366 701 HB1 ALA 19 3HB ALA 19 5.223 3.495 0.154 702 HB2 ALA 19 1HB ALA 19 4.921 2.231 -1.038 703 HB3 ALA 19 2HB ALA 19 6.505 3.002 -0.951 704 H GLU 20 H GLU 20 6.331 4.061 -3.989 705 HA GLU 20 HA GLU 20 8.554 5.664 -3.187 706 HE2 GLU 20 HE2 GLU 20 11.010 2.014 -4.433 707 HB2 GLU 20 1HB GLU 20 8.259 3.745 -5.038 708 HB3 GLU 20 2HB GLU 20 8.056 5.169 -6.072 709 HG2 GLU 20 1HG GLU 20 10.235 5.546 -6.115 710 HG3 GLU 20 2HG GLU 20 10.315 5.532 -4.347 711 H GLU 21 H GLU 21 5.878 6.154 -5.480 712 HA GLU 21 HA GLU 21 6.633 8.826 -6.120 713 HE2 GLU 21 HE2 GLU 21 4.773 8.299 -10.917 714 HB2 GLU 21 1HB GLU 21 3.915 7.535 -6.446 715 HB3 GLU 21 2HB GLU 21 4.533 8.952 -7.308 716 HG2 GLU 21 1HG GLU 21 6.309 6.705 -7.651 717 HG3 GLU 21 2HG GLU 21 4.654 6.287 -8.118 718 H ALA 22 H ALA 22 4.017 7.469 -4.119 719 HA ALA 22 HA ALA 22 2.896 9.840 -3.228 720 HB1 ALA 22 3HB ALA 22 1.922 7.611 -2.854 721 HB2 ALA 22 1HB ALA 22 3.170 7.284 -1.651 722 HB3 ALA 22 2HB ALA 22 1.993 8.569 -1.374 723 H ALA 23 H ALA 23 5.828 8.242 -2.214 724 HA ALA 23 HA ALA 23 6.186 9.703 0.206 725 HB1 ALA 23 3HB ALA 23 7.850 7.882 -1.447 726 HB2 ALA 23 1HB ALA 23 8.669 8.932 -0.289 727 HB3 ALA 23 2HB ALA 23 7.436 7.798 0.265 728 H LYS 24 H LYS 24 7.727 9.964 -3.001 729 HA LYS 24 HA LYS 24 9.196 12.296 -2.406 730 HB2 LYS 24 1HB LYS 24 9.415 12.519 -4.881 731 HB3 LYS 24 2HB LYS 24 9.851 10.918 -4.264 732 HG2 LYS 24 1HG LYS 24 7.660 10.049 -4.939 733 HG3 LYS 24 2HG LYS 24 7.241 11.649 -5.578 734 HD2 LYS 24 1HD LYS 24 7.950 10.495 -7.475 735 HD3 LYS 24 2HD LYS 24 9.387 11.412 -6.991 736 HE2 LYS 24 1HE LYS 24 10.266 9.425 -5.829 737 HE3 LYS 24 2HE LYS 24 8.838 8.516 -6.346 738 HZ1 LYS 24 3HZ LYS 24 11.064 9.534 -7.992 739 HZ2 LYS 24 1HZ LYS 24 9.562 9.195 -8.694 740 HZ3 LYS 24 2HZ LYS 24 10.428 7.968 -7.915 741 H LEU 25 H LEU 25 5.946 11.774 -3.605 742 HA LEU 25 HA LEU 25 5.493 14.517 -4.310 743 HG LEU 25 HG LEU 25 4.634 13.096 -6.466 744 HB2 LEU 25 1HB LEU 25 4.024 11.996 -4.387 745 HB3 LEU 25 2HB LEU 25 3.009 13.377 -3.939 746 HD11 LEU 25 1HD1 LEU 25 2.524 11.740 -6.248 747 HD12 LEU 25 2HD1 LEU 25 2.570 12.870 -7.599 748 HD13 LEU 25 3HD1 LEU 25 1.648 13.267 -6.149 749 HD21 LEU 25 3HD2 LEU 25 2.952 15.359 -5.411 750 HD22 LEU 25 1HD2 LEU 25 3.412 15.197 -7.106 751 HD23 LEU 25 2HD2 LEU 25 4.655 15.396 -5.870 752 H LEU 26 H LEU 26 4.743 12.462 -1.536 753 HA LEU 26 HA LEU 26 3.056 14.097 -0.104 754 HG LEU 26 HG LEU 26 2.590 11.443 0.306 755 HB2 LEU 26 1HB LEU 26 4.979 11.961 0.537 756 HB3 LEU 26 2HB LEU 26 4.599 13.056 1.878 757 HD11 LEU 26 1HD1 LEU 26 2.343 10.367 2.633 758 HD12 LEU 26 2HD1 LEU 26 3.945 11.033 2.946 759 HD13 LEU 26 3HD1 LEU 26 3.708 9.890 1.624 760 HD21 LEU 26 3HD2 LEU 26 1.134 12.163 2.294 761 HD22 LEU 26 1HD2 LEU 26 1.444 13.345 1.022 762 HD23 LEU 26 2HD2 LEU 26 2.337 13.429 2.541 763 H GLU 27 H GLU 27 6.614 14.087 -0.018 764 HA GLU 27 HA GLU 27 6.579 16.578 1.509 765 HE2 GLU 27 HE2 GLU 27 10.716 14.783 4.225 766 HB2 GLU 27 1HB GLU 27 9.021 15.030 0.643 767 HB3 GLU 27 2HB GLU 27 8.877 16.200 1.964 768 HG2 GLU 27 1HG GLU 27 7.188 14.517 2.970 769 HG3 GLU 27 2HG GLU 27 7.929 13.369 1.847 770 H GLY 28 H GLY 28 6.075 16.039 -1.535 771 HA2 GLY 28 1HA GLY 28 8.085 17.312 -3.011 772 HA3 GLY 28 2HA GLY 28 6.396 17.211 -3.481 773 H GLY 29 H GLY 29 5.935 18.636 -0.730 774 HA2 GLY 29 1HA GLY 29 6.752 21.013 -0.215 775 HA3 GLY 29 2HA GLY 29 6.259 21.333 -1.872 776 H GLY 30 H GLY 30 4.691 19.406 0.674 777 HA2 GLY 30 1HA GLY 30 2.717 21.321 1.314 778 HA3 GLY 30 2HA GLY 30 2.099 20.252 0.064 779 H GLY 31 H GLY 31 1.813 18.027 0.530 780 HA2 GLY 31 1HA GLY 31 1.114 16.295 1.866 781 HA3 GLY 31 2HA GLY 31 2.447 16.747 2.917 782 H GLY 32 H GLY 32 1.993 17.545 4.880 783 HA2 GLY 32 1HA GLY 32 -0.680 18.673 5.353 784 HA3 GLY 32 2HA GLY 32 -0.138 17.329 6.347 785 H GLY 33 H GLY 33 1.021 17.754 8.131 786 HA2 GLY 33 1HA GLY 33 1.884 20.552 8.515 787 HA3 GLY 33 2HA GLY 33 1.356 19.487 9.810 788 H GLY 34 H GLY 34 2.829 17.181 8.997 789 HA2 GLY 34 1HA GLY 34 5.164 16.616 8.567 790 HA3 GLY 34 2HA GLY 34 5.603 18.128 9.348 791 H GLY 35 H GLY 35 5.336 14.832 9.757 792 HA2 GLY 35 1HA GLY 35 6.454 14.367 12.065 793 HA3 GLY 35 2HA GLY 35 4.931 15.014 12.658 794 H GLU 36 H GLU 36 3.935 13.296 13.529 795 HA GLU 36 HA GLU 36 4.146 10.647 12.688 796 HE2 GLU 36 HE2 GLU 36 -0.181 9.699 16.657 797 HB2 GLU 36 1HB GLU 36 3.316 11.131 14.879 798 HB3 GLU 36 2HB GLU 36 1.963 12.063 14.216 799 HG2 GLU 36 1HG GLU 36 0.876 10.126 13.411 800 HG3 GLU 36 2HG GLU 36 2.313 9.130 13.686 801 H LEU 37 H LEU 37 2.059 13.228 11.597 802 HA LEU 37 HA LEU 37 0.158 11.678 10.215 803 HG LEU 37 HG LEU 37 0.351 13.836 7.690 804 HB2 LEU 37 1HB LEU 37 -0.423 13.910 10.613 805 HB3 LEU 37 2HB LEU 37 1.113 14.507 9.960 806 HD11 LEU 37 1HD1 LEU 37 -1.907 12.807 9.268 807 HD12 LEU 37 2HD1 LEU 37 -1.273 12.280 7.710 808 HD13 LEU 37 3HD1 LEU 37 -2.342 13.680 7.798 809 HD21 LEU 37 3HD2 LEU 37 -1.651 15.676 8.967 810 HD22 LEU 37 1HD2 LEU 37 -0.959 15.751 7.346 811 HD23 LEU 37 2HD2 LEU 37 0.039 16.135 8.748 812 H MET 38 H MET 38 3.145 13.254 9.098 813 HA MET 38 HA MET 38 2.918 12.258 6.435 814 HB2 MET 38 1HB MET 38 4.160 14.268 6.770 815 HB3 MET 38 2HB MET 38 5.206 13.491 7.967 816 HG2 MET 38 1HG MET 38 6.124 12.031 6.203 817 HG3 MET 38 2HG MET 38 5.120 12.877 5.023 818 HE1 MET 38 3HE MET 38 6.426 16.251 4.603 819 HE2 MET 38 1HE MET 38 4.968 15.369 5.057 820 HE3 MET 38 2HE MET 38 5.858 16.285 6.273 821 H LYS 39 H LYS 39 4.799 11.298 9.282 822 HA LYS 39 HA LYS 39 6.224 9.204 8.044 823 HB2 LYS 39 1HB LYS 39 6.913 10.181 10.178 824 HB3 LYS 39 2HB LYS 39 5.445 9.554 10.946 825 HG2 LYS 39 1HG LYS 39 6.798 7.386 9.674 826 HG3 LYS 39 2HG LYS 39 7.953 8.291 10.669 827 HD2 LYS 39 1HD LYS 39 6.465 8.111 12.603 828 HD3 LYS 39 2HD LYS 39 5.288 7.231 11.612 829 HE2 LYS 39 1HE LYS 39 6.340 5.440 12.555 830 HE3 LYS 39 2HE LYS 39 7.399 5.683 11.158 831 HZ1 LYS 39 3HZ LYS 39 8.931 6.908 12.528 832 HZ2 LYS 39 1HZ LYS 39 8.627 5.407 13.248 833 HZ3 LYS 39 2HZ LYS 39 7.897 6.803 13.863 834 H LEU 40 H LEU 40 3.005 9.416 9.337 835 HA LEU 40 HA LEU 40 2.408 6.759 9.839 836 HG LEU 40 HG LEU 40 1.086 8.187 11.511 837 HB2 LEU 40 1HB LEU 40 0.914 9.199 9.208 838 HB3 LEU 40 2HB LEU 40 0.096 7.709 8.706 839 HD11 LEU 40 1HD1 LEU 40 -1.506 8.896 10.199 840 HD12 LEU 40 2HD1 LEU 40 -0.517 9.846 11.308 841 HD13 LEU 40 3HD1 LEU 40 -1.450 8.475 11.910 842 HD21 LEU 40 3HD2 LEU 40 -1.069 6.302 10.628 843 HD22 LEU 40 1HD2 LEU 40 -0.103 6.278 12.103 844 HD23 LEU 40 2HD2 LEU 40 0.631 5.835 10.562 845 H CYS 41 H CYS 41 2.330 8.519 6.767 846 HA CYS 41 HA CYS 41 1.383 6.274 5.266 847 HG CYS 41 HG CYS 41 1.542 8.536 1.796 848 HB2 CYS 41 1HB CYS 41 0.891 8.471 4.462 849 HB3 CYS 41 2HB CYS 41 2.607 8.905 4.429 850 H GLU 42 H GLU 42 4.491 7.487 6.225 851 HA GLU 42 HA GLU 42 6.167 6.374 4.325 852 HE2 GLU 42 HE2 GLU 42 10.483 9.093 6.049 853 HB2 GLU 42 1HB GLU 42 6.698 7.857 6.385 854 HB3 GLU 42 2HB GLU 42 6.870 6.318 7.244 855 HG2 GLU 42 1HG GLU 42 8.933 6.078 6.486 856 HG3 GLU 42 2HG GLU 42 8.347 6.163 4.819 857 H GLU 43 H GLU 43 4.312 4.822 6.800 858 HA GLU 43 HA GLU 43 5.690 2.444 7.166 859 HE2 GLU 43 HE2 GLU 43 5.852 2.597 11.103 860 HB2 GLU 43 1HB GLU 43 2.686 2.795 7.015 861 HB3 GLU 43 2HB GLU 43 3.546 1.459 7.798 862 HG2 GLU 43 1HG GLU 43 4.105 4.256 8.678 863 HG3 GLU 43 2HG GLU 43 2.614 3.458 9.199 864 H ALA 44 H ALA 44 3.671 3.481 4.501 865 HA ALA 44 HA ALA 44 3.128 1.097 3.226 866 HB1 ALA 44 3HB ALA 44 3.604 2.727 1.109 867 HB2 ALA 44 1HB ALA 44 2.114 2.721 2.054 868 HB3 ALA 44 2HB ALA 44 3.377 3.903 2.404 869 H ALA 45 H ALA 45 6.081 3.048 3.073 870 HA ALA 45 HA ALA 45 7.373 1.331 1.181 871 HB1 ALA 45 3HB ALA 45 7.933 3.840 2.480 872 HB2 ALA 45 1HB ALA 45 9.349 2.788 2.508 873 HB3 ALA 45 2HB ALA 45 8.575 3.188 0.973 874 H LYS 46 H LYS 46 6.995 1.356 4.607 875 HA LYS 46 HA LYS 46 9.287 -0.278 5.185 876 HB2 LYS 46 1HB LYS 46 7.329 1.192 6.667 877 HB3 LYS 46 2HB LYS 46 7.367 -0.473 7.268 878 HG2 LYS 46 1HG LYS 46 9.881 -0.229 7.443 879 HG3 LYS 46 2HG LYS 46 9.627 1.502 7.155 880 HD2 LYS 46 1HD LYS 46 8.253 1.696 9.128 881 HD3 LYS 46 2HD LYS 46 8.307 -0.059 9.375 882 HE2 LYS 46 1HE LYS 46 9.901 0.720 10.884 883 HE3 LYS 46 2HE LYS 46 10.868 0.256 9.477 884 HZ1 LYS 46 3HZ LYS 46 10.565 2.816 10.678 885 HZ2 LYS 46 1HZ LYS 46 10.174 2.876 9.033 886 HZ3 LYS 46 2HZ LYS 46 11.688 2.302 9.521 887 H LYS 47 H LYS 47 5.772 -0.830 5.090 888 HA LYS 47 HA LYS 47 5.865 -3.581 5.654 889 HB2 LYS 47 1HB LYS 47 3.882 -1.648 4.673 890 HB3 LYS 47 2HB LYS 47 3.622 -3.302 4.098 891 HG2 LYS 47 1HG LYS 47 2.456 -3.509 6.008 892 HG3 LYS 47 2HG LYS 47 4.062 -3.784 6.707 893 HD2 LYS 47 1HD LYS 47 3.256 -0.952 6.465 894 HD3 LYS 47 2HD LYS 47 2.317 -1.925 7.610 895 HE2 LYS 47 1HE LYS 47 5.287 -2.175 7.688 896 HE3 LYS 47 2HE LYS 47 4.557 -0.691 8.318 897 HZ1 LYS 47 3HZ LYS 47 3.976 -3.460 9.215 898 HZ2 LYS 47 1HZ LYS 47 3.139 -2.090 9.749 899 HZ3 LYS 47 2HZ LYS 47 4.787 -2.260 10.089 900 H ALA 48 H ALA 48 5.868 -1.819 2.580 901 HA ALA 48 HA ALA 48 5.658 -3.919 0.803 902 HB1 ALA 48 3HB ALA 48 7.617 -1.818 0.105 903 HB2 ALA 48 1HB ALA 48 6.235 -2.432 -0.804 904 HB3 ALA 48 2HB ALA 48 5.986 -1.283 0.510 905 H GLU 49 H GLU 49 8.539 -2.725 2.474 906 HA GLU 49 HA GLU 49 10.355 -4.471 1.152 907 HE2 GLU 49 HE2 GLU 49 13.793 -0.734 1.744 908 HB2 GLU 49 1HB GLU 49 10.770 -2.268 2.523 909 HB3 GLU 49 2HB GLU 49 10.891 -3.387 3.889 910 HG2 GLU 49 1HG GLU 49 13.009 -3.752 3.374 911 HG3 GLU 49 2HG GLU 49 12.476 -4.480 1.852 912 H GLU 50 H GLU 50 8.362 -4.718 4.013 913 HA GLU 50 HA GLU 50 9.637 -7.056 5.054 914 HE2 GLU 50 HE2 GLU 50 9.018 -7.672 9.393 915 HB2 GLU 50 1HB GLU 50 7.011 -5.685 5.616 916 HB3 GLU 50 2HB GLU 50 7.461 -7.205 6.403 917 HG2 GLU 50 1HG GLU 50 9.403 -4.953 6.502 918 HG3 GLU 50 2HG GLU 50 7.951 -4.864 7.510 919 H LEU 51 H LEU 51 6.786 -6.442 3.057 920 HA LEU 51 HA LEU 51 5.963 -9.171 2.952 921 HG LEU 51 HG LEU 51 3.976 -7.796 3.643 922 HB2 LEU 51 1HB LEU 51 5.183 -6.622 1.656 923 HB3 LEU 51 2HB LEU 51 4.795 -8.113 0.780 924 HD11 LEU 51 1HD1 LEU 51 3.255 -5.903 1.847 925 HD12 LEU 51 2HD1 LEU 51 2.262 -6.412 3.213 926 HD13 LEU 51 3HD1 LEU 51 1.975 -7.095 1.612 927 HD21 LEU 51 3HD2 LEU 51 2.116 -9.074 1.872 928 HD22 LEU 51 1HD2 LEU 51 2.955 -9.732 3.277 929 HD23 LEU 51 2HD2 LEU 51 3.718 -9.791 1.687 930 H PHE 52 H PHE 52 7.530 -7.029 0.573 931 HA PHE 52 HA PHE 52 7.902 -8.907 -1.441 932 HD1 PHE 52 HD1 PHE 52 8.807 -8.629 -3.657 933 HD2 PHE 52 HD2 PHE 52 11.654 -6.300 -1.518 934 HE1 PHE 52 HE1 PHE 52 10.502 -9.141 -5.365 935 HE2 PHE 52 HE2 PHE 52 13.355 -6.805 -3.223 936 HZ PHE 52 HZ PHE 52 12.780 -8.227 -5.150 937 HB2 PHE 52 1HB PHE 52 8.257 -6.583 -1.905 938 HB3 PHE 52 2HB PHE 52 9.533 -6.480 -0.689 939 H LYS 53 H LYS 53 9.560 -8.506 1.562 940 HA LYS 53 HA LYS 53 12.026 -9.652 1.077 941 HB2 LYS 53 1HB LYS 53 11.031 -8.656 3.250 942 HB3 LYS 53 2HB LYS 53 10.463 -10.304 3.561 943 HG2 LYS 53 1HG LYS 53 12.506 -10.078 4.722 944 HG3 LYS 53 2HG LYS 53 12.847 -11.063 3.288 945 HD2 LYS 53 1HD LYS 53 13.430 -8.751 2.191 946 HD3 LYS 53 2HD LYS 53 13.628 -8.241 3.878 947 HE2 LYS 53 1HE LYS 53 15.615 -9.244 4.024 948 HE3 LYS 53 2HE LYS 53 14.924 -10.771 3.454 949 HZ1 LYS 53 3HZ LYS 53 16.197 -10.450 1.669 950 HZ2 LYS 53 1HZ LYS 53 16.465 -8.817 2.020 951 HZ3 LYS 53 2HZ LYS 53 15.066 -9.286 1.194 952 H LEU 54 H LEU 54 9.082 -11.354 2.158 953 HA LEU 54 HA LEU 54 10.250 -13.934 1.739 954 HG LEU 54 HG LEU 54 9.709 -14.598 3.731 955 HB2 LEU 54 1HB LEU 54 7.727 -12.838 2.752 956 HB3 LEU 54 2HB LEU 54 7.546 -14.360 1.863 957 HD11 LEU 54 1HD1 LEU 54 8.655 -14.215 5.801 958 HD12 LEU 54 2HD1 LEU 54 7.088 -13.935 5.043 959 HD13 LEU 54 3HD1 LEU 54 8.383 -12.753 4.853 960 HD21 LEU 54 3HD2 LEU 54 8.765 -16.622 4.098 961 HD22 LEU 54 1HD2 LEU 54 7.909 -16.229 2.607 962 HD23 LEU 54 2HD2 LEU 54 7.127 -15.971 4.167 963 H ALA 55 H ALA 55 8.549 -11.675 -0.215 964 HA ALA 55 HA ALA 55 7.291 -13.279 -2.090 965 HB1 ALA 55 3HB ALA 55 7.270 -10.741 -1.895 966 HB2 ALA 55 1HB ALA 55 8.762 -10.769 -2.835 967 HB3 ALA 55 2HB ALA 55 7.273 -11.418 -3.523 968 H GLU 56 H GLU 56 10.686 -12.599 -1.664 969 HA GLU 56 HA GLU 56 11.486 -13.611 -4.227 970 HE2 GLU 56 HE2 GLU 56 14.778 -11.395 0.849 971 HB2 GLU 56 1HB GLU 56 13.727 -13.284 -3.502 972 HB3 GLU 56 2HB GLU 56 12.780 -11.932 -2.862 973 HG2 GLU 56 1HG GLU 56 12.592 -13.614 -0.780 974 HG3 GLU 56 2HG GLU 56 14.151 -14.123 -1.443 975 H GLU 57 H GLU 57 10.871 -14.953 -1.096 976 HA GLU 57 HA GLU 57 12.394 -17.309 -1.281 977 HE2 GLU 57 HE2 GLU 57 13.397 -20.603 0.530 978 HB2 GLU 57 1HB GLU 57 11.413 -16.522 0.820 979 HB3 GLU 57 2HB GLU 57 9.791 -16.829 0.180 980 HG2 GLU 57 1HG GLU 57 10.453 -18.601 1.690 981 HG3 GLU 57 2HG GLU 57 10.292 -19.214 0.039 982 H ARG 58 H ARG 58 9.023 -16.629 -2.170 983 HA ARG 58 HA ARG 58 8.652 -19.286 -3.241 984 HE ARG 58 HE ARG 58 8.066 -16.352 -0.508 985 HB2 ARG 58 1HB ARG 58 6.431 -18.290 -4.012 986 HB3 ARG 58 2HB ARG 58 6.711 -18.376 -2.267 987 HG2 ARG 58 1HG ARG 58 7.660 -15.862 -3.318 988 HG3 ARG 58 2HG ARG 58 5.964 -16.137 -3.749 989 HD2 ARG 58 1HD ARG 58 6.418 -14.952 -1.530 990 HD3 ARG 58 2HD ARG 58 5.301 -16.324 -1.507 991 HH11 ARG 58 1HH1 ARG 58 4.897 -17.776 -0.730 992 HH12 ARG 58 2HH1 ARG 58 5.196 -18.951 0.507 993 HH21 ARG 58 1HH2 ARG 58 8.472 -17.895 1.122 994 HH22 ARG 58 2HH2 ARG 58 7.229 -19.018 1.561 995 H LEU 59 H LEU 59 9.963 -16.389 -4.357 996 HA LEU 59 HA LEU 59 9.632 -17.255 -7.154 997 HG LEU 59 HG LEU 59 11.153 -14.395 -7.977 998 HB2 LEU 59 1HB LEU 59 8.439 -15.222 -6.927 999 HB3 LEU 59 2HB LEU 59 9.747 -14.490 -5.983 1000 HD11 LEU 59 1HD1 LEU 59 8.811 -15.777 -9.243 1001 HD12 LEU 59 2HD1 LEU 59 10.517 -16.226 -9.280 1002 HD13 LEU 59 3HD1 LEU 59 9.953 -14.826 -10.193 1003 HD21 LEU 59 3HD2 LEU 59 10.033 -12.400 -7.720 1004 HD22 LEU 59 1HD2 LEU 59 8.448 -13.131 -7.981 1005 HD23 LEU 59 2HD2 LEU 59 9.535 -12.871 -9.346 1006 H LYS 60 H LYS 60 11.712 -14.816 -5.632 1007 HA LYS 60 HA LYS 60 13.978 -14.610 -5.495 1008 HB2 LYS 60 1HB LYS 60 13.525 -17.454 -5.444 1009 HB3 LYS 60 2HB LYS 60 15.004 -17.094 -6.350 1010 HG2 LYS 60 1HG LYS 60 16.052 -16.109 -4.519 1011 HG3 LYS 60 2HG LYS 60 14.519 -15.869 -3.662 1012 HD2 LYS 60 1HD LYS 60 15.635 -17.668 -2.574 1013 HD3 LYS 60 2HD LYS 60 14.317 -18.376 -3.525 1014 HE2 LYS 60 1HE LYS 60 16.201 -19.762 -3.901 1015 HE3 LYS 60 2HE LYS 60 16.015 -18.773 -5.356 1016 HZ1 LYS 60 3HZ LYS 60 18.317 -19.060 -4.052 1017 HZ2 LYS 60 1HZ LYS 60 17.737 -17.657 -3.307 1018 HZ3 LYS 60 2HZ LYS 60 17.938 -17.700 -4.985 1019 H LYS 61 H LYS 61 16.058 -15.333 -6.982 1020 HA LYS 61 HA LYS 61 17.112 -15.061 -8.981 1021 HB2 LYS 61 1HB LYS 61 14.899 -16.654 -9.548 1022 HB3 LYS 61 2HB LYS 61 14.830 -15.363 -10.759 1023 HG2 LYS 61 1HG LYS 61 16.156 -16.794 -11.902 1024 HG3 LYS 61 2HG LYS 61 17.415 -15.969 -10.966 1025 HD2 LYS 61 1HD LYS 61 16.915 -17.829 -9.186 1026 HD3 LYS 61 2HD LYS 61 16.247 -18.693 -10.583 1027 HE2 LYS 61 1HE LYS 61 18.291 -18.885 -11.634 1028 HE3 LYS 61 2HE LYS 61 18.946 -17.453 -10.825 1029 HZ1 LYS 61 3HZ LYS 61 18.290 -19.555 -8.990 1030 HZ2 LYS 61 1HZ LYS 61 19.727 -18.679 -9.157 1031 HZ3 LYS 61 2HZ LYS 61 19.444 -20.031 -10.133 1032 H LEU 62 H LEU 62 15.514 -12.897 -7.619 1033 HA LEU 62 HA LEU 62 14.305 -11.150 -9.375 1034 HG LEU 62 HG LEU 62 13.740 -10.077 -5.977 1035 HB2 LEU 62 1HB LEU 62 16.138 -10.365 -7.104 1036 HB3 LEU 62 2HB LEU 62 14.849 -9.384 -7.823 1037 HD11 LEU 62 1HD1 LEU 62 13.344 -12.671 -7.416 1038 HD12 LEU 62 2HD1 LEU 62 12.745 -11.158 -8.096 1039 HD13 LEU 62 3HD1 LEU 62 12.175 -11.703 -6.519 1040 HD21 LEU 62 3HD2 LEU 62 14.424 -11.688 -4.538 1041 HD22 LEU 62 1HD2 LEU 62 15.920 -11.529 -5.459 1042 HD23 LEU 62 2HD2 LEU 62 14.795 -12.838 -5.824 1043 HC1 HLT 101 HC1 HLT 101 -1.032 1.719 -0.545
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