NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11120 | 1qxn | 4776 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 H1 ALA 1 -25.481 -11.644 14.222 2 2H ALA 1 H2 ALA 1 -24.135 -12.465 13.599 3 3H ALA 1 H3 ALA 1 -23.931 -11.283 14.804 4 HA ALA 1 HA ALA 1 -23.968 -10.975 12.006 5 1HB ALA 1 1HB ALA 1 -26.462 -10.468 12.976 6 2HB ALA 1 2HB ALA 1 -25.706 -8.880 13.114 7 3HB ALA 1 3HB ALA 1 -25.765 -9.697 11.551 8 H ASP 2 H ASP 2 -22.056 -10.971 13.826 9 HA ASP 2 HA ASP 2 -20.969 -8.318 13.849 10 1HB ASP 2 2HB ASP 2 -20.806 -8.253 16.369 11 2HB ASP 2 3HB ASP 2 -22.432 -8.030 15.739 12 H MET 3 H MET 3 -20.093 -10.689 12.731 13 HA MET 3 HA MET 3 -18.297 -12.054 14.509 14 1HB MET 3 2HB MET 3 -19.408 -12.493 11.929 15 2HB MET 3 3HB MET 3 -17.659 -12.596 11.790 16 1HG MET 3 2HG MET 3 -19.050 -14.710 12.343 17 2HG MET 3 3HG MET 3 -17.518 -14.422 13.166 18 1HE MET 3 1HE MET 3 -21.292 -14.698 13.344 19 2HE MET 3 2HE MET 3 -20.482 -16.141 13.952 20 3HE MET 3 3HE MET 3 -21.485 -15.172 15.034 21 H GLY 4 H GLY 4 -17.940 -9.101 13.833 22 1HA GLY 4 1HA GLY 4 -15.619 -8.698 12.330 23 2HA GLY 4 2HA GLY 4 -16.193 -7.639 13.605 24 H GLU 5 H GLU 5 -16.012 -9.503 15.714 25 HA GLU 5 HA GLU 5 -13.232 -9.259 16.372 26 1HB GLU 5 2HB GLU 5 -14.990 -9.077 18.082 27 2HB GLU 5 3HB GLU 5 -15.444 -10.751 17.796 28 1HG GLU 5 2HG GLU 5 -12.854 -11.098 18.360 29 2HG GLU 5 3HG GLU 5 -13.159 -9.629 19.287 30 H LYS 6 H LYS 6 -15.362 -11.873 15.393 31 HA LYS 6 HA LYS 6 -13.680 -14.017 15.926 32 1HB LYS 6 2HB LYS 6 -15.924 -13.643 13.973 33 2HB LYS 6 3HB LYS 6 -15.038 -15.160 14.059 34 1HG LYS 6 2HG LYS 6 -15.776 -14.346 16.695 35 2HG LYS 6 3HG LYS 6 -17.195 -14.319 15.649 36 1HD LYS 6 2HD LYS 6 -16.278 -16.649 14.873 37 2HD LYS 6 3HD LYS 6 -15.444 -16.603 16.428 38 1HE LYS 6 2HE LYS 6 -17.339 -16.939 17.588 39 2HE LYS 6 3HE LYS 6 -18.269 -15.848 16.562 40 1HZ LYS 6 HZ1 LYS 6 -18.288 -17.664 14.872 41 2HZ LYS 6 HZ2 LYS 6 -17.622 -18.695 16.041 42 3HZ LYS 6 HZ3 LYS 6 -19.153 -18.010 16.289 43 H PHE 7 H PHE 7 -14.126 -12.439 12.707 44 HA PHE 7 HA PHE 7 -12.013 -14.053 11.671 45 1HB PHE 7 2HB PHE 7 -12.235 -12.547 9.608 46 2HB PHE 7 3HB PHE 7 -13.579 -13.587 10.038 47 HD1 PHE 7 HD1 PHE 7 -12.439 -10.127 10.889 48 HD2 PHE 7 HD2 PHE 7 -15.634 -12.674 9.692 49 HE1 PHE 7 HE1 PHE 7 -13.938 -8.184 10.760 50 HE2 PHE 7 HE2 PHE 7 -17.137 -10.732 9.566 51 HZ PHE 7 HZ PHE 7 -16.288 -8.482 10.098 52 H ASP 8 H ASP 8 -12.103 -11.011 13.189 53 HA ASP 8 HA ASP 8 -9.934 -9.651 12.155 54 1HB ASP 8 2HB ASP 8 -10.892 -8.344 13.755 55 2HB ASP 8 3HB ASP 8 -11.253 -9.709 14.804 56 H ALA 9 H ALA 9 -9.875 -12.143 14.681 57 HA ALA 9 HA ALA 9 -7.146 -12.114 15.245 58 1HB ALA 9 1HB ALA 9 -9.394 -13.888 15.735 59 2HB ALA 9 2HB ALA 9 -7.874 -14.759 15.540 60 3HB ALA 9 3HB ALA 9 -8.015 -13.497 16.762 61 H THR 10 H THR 10 -8.938 -13.892 12.767 62 HA THR 10 HA THR 10 -6.736 -15.396 11.828 63 HB THR 10 HB THR 10 -8.598 -14.971 9.710 64 HG1 THR 10 HG1 THR 10 -10.144 -14.253 11.108 65 1HG2 THR 10 1HG2 THR 10 -7.539 -17.128 11.369 66 2HG2 THR 10 2HG2 THR 10 -9.209 -17.396 10.868 67 3HG2 THR 10 3HG2 THR 10 -7.958 -17.121 9.655 68 H PHE 11 H PHE 11 -8.158 -12.305 10.759 69 HA PHE 11 HA PHE 11 -6.578 -11.896 8.487 70 1HB PHE 11 2HB PHE 11 -8.588 -10.508 9.594 71 2HB PHE 11 3HB PHE 11 -7.245 -9.527 10.166 72 HD1 PHE 11 HD1 PHE 11 -5.397 -9.297 8.071 73 HD2 PHE 11 HD2 PHE 11 -9.635 -9.569 7.787 74 HE1 PHE 11 HE1 PHE 11 -5.326 -8.135 5.904 75 HE2 PHE 11 HE2 PHE 11 -9.570 -8.411 5.618 76 HZ PHE 11 HZ PHE 11 -7.410 -7.688 4.674 77 H LYS 12 H LYS 12 -6.003 -11.034 11.859 78 HA LYS 12 HA LYS 12 -3.504 -9.765 11.453 79 1HB LYS 12 2HB LYS 12 -5.044 -9.611 13.486 80 2HB LYS 12 3HB LYS 12 -4.369 -11.157 13.980 81 1HG LYS 12 2HG LYS 12 -3.364 -9.016 14.966 82 2HG LYS 12 3HG LYS 12 -2.261 -10.255 14.365 83 1HD LYS 12 2HD LYS 12 -1.439 -8.903 12.782 84 2HD LYS 12 3HD LYS 12 -3.044 -8.338 12.315 85 1HE LYS 12 2HE LYS 12 -2.182 -7.347 14.916 86 2HE LYS 12 3HE LYS 12 -1.121 -6.852 13.599 87 1HZ LYS 12 HZ1 LYS 12 -4.065 -6.540 13.481 88 2HZ LYS 12 HZ2 LYS 12 -3.043 -5.341 14.111 89 3HZ LYS 12 HZ3 LYS 12 -2.894 -5.815 12.483 90 H ALA 13 H ALA 13 -4.463 -13.073 11.708 91 HA ALA 13 HA ALA 13 -1.878 -14.136 12.353 92 1HB ALA 13 1HB ALA 13 -3.969 -15.342 12.854 93 2HB ALA 13 2HB ALA 13 -4.257 -15.534 11.123 94 3HB ALA 13 3HB ALA 13 -2.858 -16.303 11.878 95 H GLN 14 H GLN 14 -3.749 -13.667 9.407 96 HA GLN 14 HA GLN 14 -1.832 -14.895 7.680 97 1HB GLN 14 2HB GLN 14 -4.170 -13.061 7.155 98 2HB GLN 14 3HB GLN 14 -3.162 -13.715 5.872 99 1HG GLN 14 2HG GLN 14 -3.858 -15.935 7.361 100 2HG GLN 14 3HG GLN 14 -5.320 -14.950 7.349 101 1HE2 GLN 14 1HE2 GLN 14 -6.585 -15.066 5.642 102 2HE2 GLN 14 2HE2 GLN 14 -6.168 -15.769 4.111 103 H VAL 15 H VAL 15 -2.717 -11.515 8.307 104 HA VAL 15 HA VAL 15 -0.898 -10.408 6.513 105 HB VAL 15 HB VAL 15 -2.547 -9.357 8.741 106 1HG1 VAL 15 1HG1 VAL 15 0.011 -8.172 8.039 107 2HG1 VAL 15 2HG1 VAL 15 -1.342 -7.064 7.807 108 3HG1 VAL 15 3HG1 VAL 15 -1.075 -7.812 9.382 109 1HG2 VAL 15 1HG2 VAL 15 -2.161 -8.702 5.829 110 2HG2 VAL 15 2HG2 VAL 15 -3.543 -9.487 6.593 111 3HG2 VAL 15 3HG2 VAL 15 -3.218 -7.783 6.901 112 H LYS 16 H LYS 16 -0.476 -11.141 9.955 113 HA LYS 16 HA LYS 16 1.982 -9.755 10.215 114 1HB LYS 16 2HB LYS 16 0.402 -11.631 11.857 115 2HB LYS 16 3HB LYS 16 2.130 -11.603 12.189 116 1HG LYS 16 2HG LYS 16 1.828 -9.036 12.276 117 2HG LYS 16 3HG LYS 16 0.115 -9.415 12.477 118 1HD LYS 16 2HD LYS 16 0.548 -9.620 14.656 119 2HD LYS 16 3HD LYS 16 1.382 -11.121 14.248 120 1HE LYS 16 2HE LYS 16 3.314 -9.311 13.708 121 2HE LYS 16 3HE LYS 16 2.463 -8.494 15.019 122 1HZ LYS 16 HZ1 LYS 16 2.724 -10.506 16.365 123 2HZ LYS 16 HZ2 LYS 16 3.606 -11.234 15.108 124 3HZ LYS 16 HZ3 LYS 16 4.225 -9.868 15.890 125 H ALA 17 H ALA 17 1.159 -13.001 9.219 126 HA ALA 17 HA ALA 17 3.681 -14.208 9.430 127 1HB ALA 17 1HB ALA 17 1.225 -14.742 7.831 128 2HB ALA 17 2HB ALA 17 2.713 -15.603 7.425 129 3HB ALA 17 3HB ALA 17 2.027 -15.742 9.045 130 H ALA 18 H ALA 18 2.410 -11.943 7.144 131 HA ALA 18 HA ALA 18 4.171 -12.452 4.999 132 1HB ALA 18 1HB ALA 18 1.979 -11.089 5.062 133 2HB ALA 18 2HB ALA 18 3.025 -9.741 5.515 134 3HB ALA 18 3HB ALA 18 3.277 -10.580 3.983 135 H LYS 19 H LYS 19 4.468 -10.382 7.865 136 HA LYS 19 HA LYS 19 6.973 -9.253 6.972 137 1HB LYS 19 2HB LYS 19 6.844 -7.858 8.767 138 2HB LYS 19 3HB LYS 19 5.144 -8.261 8.616 139 1HG LYS 19 2HG LYS 19 5.274 -9.807 10.426 140 2HG LYS 19 3HG LYS 19 7.033 -9.664 10.490 141 1HD LYS 19 2HD LYS 19 6.672 -7.199 10.967 142 2HD LYS 19 3HD LYS 19 4.968 -7.596 11.209 143 1HE LYS 19 2HE LYS 19 5.447 -8.127 13.307 144 2HE LYS 19 3HE LYS 19 6.403 -9.478 12.698 145 1HZ LYS 19 HZ1 LYS 19 7.733 -6.891 12.682 146 2HZ LYS 19 HZ2 LYS 19 7.393 -7.529 14.216 147 3HZ LYS 19 HZ3 LYS 19 8.322 -8.422 13.117 148 H ALA 20 H ALA 20 5.867 -12.023 8.570 149 HA ALA 20 HA ALA 20 8.293 -12.598 10.023 150 1HB ALA 20 1HB ALA 20 5.670 -13.925 9.664 151 2HB ALA 20 2HB ALA 20 7.039 -14.943 10.111 152 3HB ALA 20 3HB ALA 20 6.579 -13.583 11.135 153 H ASP 21 H ASP 21 7.157 -13.108 6.846 154 HA ASP 21 HA ASP 21 8.351 -15.526 6.178 155 1HB ASP 21 2HB ASP 21 6.667 -14.042 4.878 156 2HB ASP 21 3HB ASP 21 8.101 -13.281 4.200 157 H MET 22 H MET 22 9.739 -12.298 6.249 158 HA MET 22 HA MET 22 12.272 -13.428 5.253 159 1HB MET 22 2HB MET 22 12.815 -11.111 4.529 160 2HB MET 22 3HB MET 22 11.411 -11.795 3.721 161 1HG MET 22 2HG MET 22 10.123 -10.569 5.662 162 2HG MET 22 3HG MET 22 11.579 -9.576 5.688 163 1HE MET 22 1HE MET 22 12.713 -9.086 3.471 164 2HE MET 22 2HE MET 22 11.885 -8.544 2.011 165 3HE MET 22 3HE MET 22 11.918 -7.512 3.441 166 H VAL 23 H VAL 23 14.068 -11.549 5.855 167 HA VAL 23 HA VAL 23 14.411 -11.842 8.703 168 HB VAL 23 HB VAL 23 16.160 -10.327 6.754 169 1HG1 VAL 23 1HG1 VAL 23 16.285 -10.826 9.612 170 2HG1 VAL 23 2HG1 VAL 23 17.742 -11.347 8.766 171 3HG1 VAL 23 3HG1 VAL 23 17.186 -9.679 8.622 172 1HG2 VAL 23 1HG2 VAL 23 15.800 -13.192 7.174 173 2HG2 VAL 23 2HG2 VAL 23 16.577 -12.326 5.848 174 3HG2 VAL 23 3HG2 VAL 23 17.473 -12.658 7.329 175 H MET 24 H MET 24 13.439 -10.490 10.045 176 HA MET 24 HA MET 24 12.680 -7.835 9.162 177 1HB MET 24 2HB MET 24 11.970 -9.612 11.421 178 2HB MET 24 3HB MET 24 11.893 -7.884 11.735 179 1HG MET 24 2HG MET 24 10.649 -8.428 9.232 180 2HG MET 24 3HG MET 24 9.992 -9.513 10.456 181 1HE MET 24 1HE MET 24 10.346 -5.967 9.115 182 2HE MET 24 2HE MET 24 8.787 -6.693 8.719 183 3HE MET 24 3HE MET 24 8.858 -5.267 9.755 184 H LEU 25 H LEU 25 13.896 -6.122 9.435 185 HA LEU 25 HA LEU 25 15.922 -6.115 11.565 186 1HB LEU 25 2HB LEU 25 16.058 -5.520 8.709 187 2HB LEU 25 3HB LEU 25 16.688 -4.216 9.699 188 HG LEU 25 HG LEU 25 17.719 -7.006 9.371 189 1HD1 LEU 25 1HD1 LEU 25 18.497 -4.382 8.603 190 2HD1 LEU 25 2HD1 LEU 25 19.708 -5.026 9.711 191 3HD1 LEU 25 3HD1 LEU 25 19.288 -5.919 8.250 192 1HD2 LEU 25 1HD2 LEU 25 17.841 -5.336 11.828 193 2HD2 LEU 25 2HD2 LEU 25 17.787 -7.090 11.653 194 3HD2 LEU 25 3HD2 LEU 25 19.288 -6.220 11.344 195 H SER 26 H SER 26 16.643 -3.515 11.429 196 HA SER 26 HA SER 26 14.181 -1.959 11.779 197 1HB SER 26 2HB SER 26 16.217 -0.907 13.496 198 2HB SER 26 3HB SER 26 14.636 -1.547 13.943 199 HG SER 26 HG SER 26 17.144 -2.728 14.054 200 HA PRO 27 HA PRO 27 15.703 0.743 8.723 201 1HB PRO 27 2HB PRO 27 15.333 3.167 10.171 202 2HB PRO 27 3HB PRO 27 14.242 2.434 8.995 203 1HG PRO 27 2HG PRO 27 14.217 2.272 11.961 204 2HG PRO 27 3HG PRO 27 12.862 2.247 10.815 205 1HD PRO 27 2HD PRO 27 13.632 0.014 12.026 206 2HD PRO 27 3HD PRO 27 13.181 -0.014 10.312 207 H LYS 28 H LYS 28 17.004 1.234 11.996 208 HA LYS 28 HA LYS 28 19.252 2.775 11.076 209 1HB LYS 28 2HB LYS 28 19.099 1.299 13.696 210 2HB LYS 28 3HB LYS 28 20.012 2.752 13.314 211 1HG LYS 28 2HG LYS 28 17.495 3.611 12.834 212 2HG LYS 28 3HG LYS 28 17.206 2.437 14.121 213 1HD LYS 28 2HD LYS 28 19.403 4.448 14.401 214 2HD LYS 28 3HD LYS 28 17.733 4.925 14.711 215 1HE LYS 28 2HE LYS 28 19.465 2.993 16.190 216 2HE LYS 28 3HE LYS 28 18.444 4.286 16.813 217 1HZ LYS 28 HZ1 LYS 28 16.506 2.891 16.033 218 2HZ LYS 28 HZ2 LYS 28 17.613 1.619 15.829 219 3HZ LYS 28 HZ3 LYS 28 17.370 2.293 17.366 220 H ASP 29 H ASP 29 18.654 -0.562 12.032 221 HA ASP 29 HA ASP 29 21.299 -1.538 11.677 222 1HB ASP 29 2HB ASP 29 18.623 -2.955 11.573 223 2HB ASP 29 3HB ASP 29 20.178 -3.780 11.573 224 H ALA 30 H ALA 30 18.578 -1.031 9.618 225 HA ALA 30 HA ALA 30 19.571 -2.500 7.364 226 1HB ALA 30 1HB ALA 30 17.128 -1.750 7.945 227 2HB ALA 30 2HB ALA 30 17.587 -0.300 7.054 228 3HB ALA 30 3HB ALA 30 17.657 -1.877 6.267 229 H TYR 31 H TYR 31 19.415 0.960 8.225 230 HA TYR 31 HA TYR 31 20.716 1.885 5.897 231 1HB TYR 31 HB2 TYR 31 19.460 3.421 7.281 232 2HB TYR 31 HB3 TYR 31 20.513 3.112 8.654 233 HD1 TYR 31 HD1 TYR 31 20.565 4.426 5.175 234 HD2 TYR 31 HD2 TYR 31 22.348 4.506 9.034 235 HE1 TYR 31 HE1 TYR 31 22.008 6.276 4.455 236 HE2 TYR 31 HE2 TYR 31 23.802 6.358 8.329 237 HH TYR 31 HH TYR 31 23.282 8.230 5.711 238 H LYS 32 H LYS 32 21.890 0.651 8.947 239 HA LYS 32 HA LYS 32 24.521 1.503 8.924 240 1HB LYS 32 2HB LYS 32 23.148 0.063 10.636 241 2HB LYS 32 3HB LYS 32 23.865 -1.290 9.772 242 1HG LYS 32 2HG LYS 32 25.212 -0.798 11.682 243 2HG LYS 32 3HG LYS 32 26.105 -0.334 10.233 244 1HD LYS 32 2HD LYS 32 24.680 1.947 10.931 245 2HD LYS 32 3HD LYS 32 25.232 1.287 12.472 246 1HE LYS 32 2HE LYS 32 27.525 1.179 11.562 247 2HE LYS 32 3HE LYS 32 26.948 1.924 10.072 248 1HZ LYS 32 HZ1 LYS 32 26.767 3.180 12.758 249 2HZ LYS 32 HZ2 LYS 32 27.982 3.506 11.625 250 3HZ LYS 32 HZ3 LYS 32 26.369 3.897 11.274 251 H LEU 33 H LEU 33 23.225 -1.513 7.535 252 HA LEU 33 HA LEU 33 25.725 -2.197 6.331 253 1HB LEU 33 2HB LEU 33 24.107 -3.813 5.006 254 2HB LEU 33 3HB LEU 33 24.582 -4.125 6.662 255 HG LEU 33 HG LEU 33 22.287 -2.631 6.966 256 1HD1 LEU 33 1HD1 LEU 33 22.092 -3.023 4.402 257 2HD1 LEU 33 2HD1 LEU 33 21.609 -4.654 4.869 258 3HD1 LEU 33 3HD1 LEU 33 20.677 -3.264 5.432 259 1HD2 LEU 33 1HD2 LEU 33 22.992 -5.523 7.077 260 2HD2 LEU 33 2HD2 LEU 33 22.504 -4.429 8.370 261 3HD2 LEU 33 3HD2 LEU 33 21.299 -5.060 7.247 262 H LEU 34 H LEU 34 22.989 -0.329 5.355 263 HA LEU 34 HA LEU 34 23.348 -0.441 2.543 264 1HB LEU 34 2HB LEU 34 22.129 1.693 4.293 265 2HB LEU 34 3HB LEU 34 22.082 1.723 2.544 266 HG LEU 34 HG LEU 34 20.852 -0.443 4.243 267 1HD1 LEU 34 1HD1 LEU 34 19.797 1.792 4.531 268 2HD1 LEU 34 2HD1 LEU 34 19.474 1.814 2.797 269 3HD1 LEU 34 3HD1 LEU 34 18.731 0.581 3.817 270 1HD2 LEU 34 1HD2 LEU 34 21.623 -0.770 1.744 271 2HD2 LEU 34 2HD2 LEU 34 20.093 -1.421 2.329 272 3HD2 LEU 34 3HD2 LEU 34 20.116 0.086 1.415 273 H GLN 35 H GLN 35 24.423 1.894 4.987 274 HA GLN 35 HA GLN 35 25.735 3.545 3.083 275 1HB GLN 35 2HB GLN 35 26.591 4.762 5.064 276 2HB GLN 35 3HB GLN 35 24.851 4.525 5.094 277 1HG GLN 35 2HG GLN 35 24.923 3.268 6.946 278 2HG GLN 35 3HG GLN 35 26.393 2.433 6.448 279 1HE2 GLN 35 1HE2 GLN 35 28.274 3.021 7.317 280 2HE2 GLN 35 2HE2 GLN 35 28.496 4.365 8.384 281 H GLU 36 H GLU 36 26.782 0.857 5.055 282 HA GLU 36 HA GLU 36 29.576 1.476 4.678 283 1HB GLU 36 2HB GLU 36 28.956 0.509 6.780 284 2HB GLU 36 3HB GLU 36 28.113 -0.815 5.987 285 1HG GLU 36 2HG GLU 36 30.522 -1.264 4.990 286 2HG GLU 36 3HG GLU 36 31.012 -0.411 6.453 287 H ASN 37 H ASN 37 27.184 -0.756 3.427 288 HA ASN 37 HA ASN 37 29.162 -1.689 1.456 289 1HB ASN 37 2HB ASN 37 26.656 -3.211 2.153 290 2HB ASN 37 3HB ASN 37 28.112 -3.793 1.362 291 1HD2 ASN 37 1HD2 ASN 37 26.705 -2.828 4.401 292 2HD2 ASN 37 2HD2 ASN 37 27.875 -3.603 5.418 293 HA PRO 38 HA PRO 38 26.263 0.837 -0.962 294 1HB PRO 38 2HB PRO 38 27.941 1.085 -3.108 295 2HB PRO 38 3HB PRO 38 28.004 2.126 -1.682 296 1HG PRO 38 2HG PRO 38 29.686 -0.245 -2.376 297 2HG PRO 38 3HG PRO 38 30.170 1.303 -1.661 298 1HD PRO 38 2HD PRO 38 29.863 -0.934 -0.183 299 2HD PRO 38 3HD PRO 38 29.495 0.680 0.456 300 H ASP 39 H ASP 39 27.157 -2.299 -1.193 301 HA ASP 39 HA ASP 39 25.996 -2.798 -3.819 302 1HB ASP 39 2HB ASP 39 28.033 -4.039 -3.117 303 2HB ASP 39 3HB ASP 39 27.115 -4.753 -1.796 304 H ILE 40 H ILE 40 25.268 -2.944 -0.439 305 HA ILE 40 HA ILE 40 22.806 -4.435 -0.802 306 HB ILE 40 HB ILE 40 23.680 -2.895 1.644 307 1HG1 ILE 40 2HG1 ILE 40 24.201 -5.790 0.927 308 2HG1 ILE 40 3HG1 ILE 40 25.413 -4.519 1.038 309 1HG2 ILE 40 1HG2 ILE 40 21.589 -4.969 1.091 310 2HG2 ILE 40 2HG2 ILE 40 22.222 -4.720 2.717 311 3HG2 ILE 40 3HG2 ILE 40 21.417 -3.398 1.873 312 1HD1 ILE 40 1HD1 ILE 40 24.911 -4.293 3.438 313 2HD1 ILE 40 2HD1 ILE 40 23.768 -5.630 3.299 314 3HD1 ILE 40 3HD1 ILE 40 25.487 -5.903 3.002 315 H THR 41 H THR 41 21.220 -3.433 -1.809 316 HA THR 41 HA THR 41 20.969 -0.529 -1.625 317 HB THR 41 HB THR 41 19.055 -1.752 -3.399 318 HG1 THR 41 HG1 THR 41 21.696 -2.745 -3.441 319 1HG2 THR 41 1HG2 THR 41 20.117 0.566 -3.430 320 2HG2 THR 41 2HG2 THR 41 21.522 -0.212 -4.158 321 3HG2 THR 41 3HG2 THR 41 19.964 -0.262 -4.979 322 H LEU 42 H LEU 42 19.049 0.540 -1.011 323 HA LEU 42 HA LEU 42 17.072 -1.162 0.350 324 1HB LEU 42 2HB LEU 42 17.656 0.394 1.966 325 2HB LEU 42 3HB LEU 42 17.942 1.665 0.791 326 HG LEU 42 HG LEU 42 15.339 1.546 0.464 327 1HD1 LEU 42 1HD1 LEU 42 15.159 -0.479 1.934 328 2HD1 LEU 42 2HD1 LEU 42 15.567 0.561 3.299 329 3HD1 LEU 42 3HD1 LEU 42 14.100 0.862 2.369 330 1HD2 LEU 42 1HD2 LEU 42 16.631 3.459 1.353 331 2HD2 LEU 42 2HD2 LEU 42 15.054 3.265 2.120 332 3HD2 LEU 42 3HD2 LEU 42 16.516 2.749 2.965 333 H ILE 43 H ILE 43 15.069 -1.272 -0.402 334 HA ILE 43 HA ILE 43 14.378 0.465 -2.678 335 HB ILE 43 HB ILE 43 13.565 -2.386 -2.111 336 1HG1 ILE 43 2HG1 ILE 43 14.804 -1.118 -4.558 337 2HG1 ILE 43 3HG1 ILE 43 15.733 -1.895 -3.280 338 1HG2 ILE 43 1HG2 ILE 43 12.072 -0.313 -3.481 339 2HG2 ILE 43 2HG2 ILE 43 12.454 -1.660 -4.554 340 3HG2 ILE 43 3HG2 ILE 43 11.585 -1.951 -3.047 341 1HD1 ILE 43 1HD1 ILE 43 13.635 -3.622 -4.256 342 2HD1 ILE 43 2HD1 ILE 43 14.713 -3.097 -5.550 343 3HD1 ILE 43 3HD1 ILE 43 15.371 -3.910 -4.129 344 H ASP 44 H ASP 44 12.945 1.939 -2.169 345 HA ASP 44 HA ASP 44 11.218 1.491 0.148 346 1HB ASP 44 2HB ASP 44 12.142 3.548 0.532 347 2HB ASP 44 3HB ASP 44 12.370 3.879 -1.177 348 H VAL 45 H VAL 45 9.072 1.481 0.020 349 HA VAL 45 HA VAL 45 7.836 1.885 -2.616 350 HB VAL 45 HB VAL 45 6.239 0.062 -1.117 351 1HG1 VAL 45 1HG1 VAL 45 6.739 0.532 -3.690 352 2HG1 VAL 45 2HG1 VAL 45 7.777 -0.875 -3.462 353 3HG1 VAL 45 3HG1 VAL 45 6.051 -0.986 -3.114 354 1HG2 VAL 45 1HG2 VAL 45 9.094 -0.862 -1.451 355 2HG2 VAL 45 2HG2 VAL 45 8.248 -0.614 0.075 356 3HG2 VAL 45 3HG2 VAL 45 7.728 -1.893 -1.023 357 H ARG 46 H ARG 46 6.993 3.844 -2.222 358 HA ARG 46 HA ARG 46 4.708 3.979 -0.490 359 1HB ARG 46 2HB ARG 46 7.188 4.967 0.486 360 2HB ARG 46 3HB ARG 46 6.195 6.360 0.084 361 1HG ARG 46 2HG ARG 46 5.643 4.178 2.065 362 2HG ARG 46 3HG ARG 46 5.742 5.918 2.334 363 1HD ARG 46 2HD ARG 46 3.704 5.561 0.446 364 2HD ARG 46 3HD ARG 46 3.465 4.289 1.642 365 HE ARG 46 HE ARG 46 3.820 6.471 3.189 366 1HH1 ARG 46 1HH1 ARG 46 1.721 5.866 0.426 367 2HH1 ARG 46 2HH1 ARG 46 0.505 6.970 0.983 368 1HH2 ARG 46 1HH2 ARG 46 2.205 7.885 3.908 369 2HH2 ARG 46 2HH2 ARG 46 0.754 8.118 2.958 370 H ASP 47 H ASP 47 3.554 6.022 -0.797 371 HA ASP 47 HA ASP 47 3.461 6.594 -3.588 372 1HB ASP 47 2HB ASP 47 1.808 7.735 -1.325 373 2HB ASP 47 3HB ASP 47 1.408 7.790 -3.040 374 HA PRO 48 HA PRO 48 5.732 10.200 -3.933 375 1HB PRO 48 2HB PRO 48 4.287 11.718 -5.682 376 2HB PRO 48 3HB PRO 48 5.188 10.268 -6.140 377 1HG PRO 48 2HG PRO 48 2.269 10.580 -5.552 378 2HG PRO 48 3HG PRO 48 3.057 9.675 -6.859 379 1HD PRO 48 2HD PRO 48 2.119 8.447 -4.667 380 2HD PRO 48 3HD PRO 48 3.605 7.904 -5.474 381 H ASP 49 H ASP 49 2.431 10.827 -2.834 382 HA ASP 49 HA ASP 49 2.986 13.623 -2.432 383 1HB ASP 49 2HB ASP 49 0.651 12.391 -2.720 384 2HB ASP 49 3HB ASP 49 0.728 12.383 -0.957 385 H GLU 50 H GLU 50 3.000 10.767 -0.336 386 HA GLU 50 HA GLU 50 3.486 12.289 2.041 387 1HB GLU 50 2HB GLU 50 2.636 10.120 2.437 388 2HB GLU 50 3HB GLU 50 3.804 9.371 1.357 389 1HG GLU 50 2HG GLU 50 5.367 9.210 2.955 390 2HG GLU 50 3HG GLU 50 5.006 10.806 3.608 391 H LEU 51 H LEU 51 5.436 10.686 -0.393 392 HA LEU 51 HA LEU 51 7.981 11.002 0.760 393 1HB LEU 51 2HB LEU 51 6.862 10.229 -1.779 394 2HB LEU 51 3HB LEU 51 8.227 11.298 -2.037 395 HG LEU 51 HG LEU 51 9.565 9.765 -0.528 396 1HD1 LEU 51 1HD1 LEU 51 7.077 8.112 -0.850 397 2HD1 LEU 51 2HD1 LEU 51 8.650 7.404 -0.479 398 3HD1 LEU 51 3HD1 LEU 51 7.918 8.556 0.636 399 1HD2 LEU 51 1HD2 LEU 51 8.633 9.282 -3.265 400 2HD2 LEU 51 2HD2 LEU 51 10.273 9.371 -2.618 401 3HD2 LEU 51 3HD2 LEU 51 9.344 7.878 -2.466 402 H LYS 52 H LYS 52 5.921 13.133 -1.076 403 HA LYS 52 HA LYS 52 7.886 15.191 -1.429 404 1HB LYS 52 2HB LYS 52 5.828 14.650 -2.890 405 2HB LYS 52 3HB LYS 52 4.903 15.515 -1.674 406 1HG LYS 52 2HG LYS 52 6.057 17.545 -2.126 407 2HG LYS 52 3HG LYS 52 7.223 16.719 -3.163 408 1HD LYS 52 2HD LYS 52 5.575 17.890 -4.514 409 2HD LYS 52 3HD LYS 52 5.407 16.146 -4.723 410 1HE LYS 52 2HE LYS 52 3.745 16.917 -2.559 411 2HE LYS 52 3HE LYS 52 3.455 18.047 -3.881 412 1HZ LYS 52 HZ1 LYS 52 3.588 15.290 -4.716 413 2HZ LYS 52 HZ2 LYS 52 2.313 15.608 -3.638 414 3HZ LYS 52 HZ3 LYS 52 2.441 16.481 -5.089 415 H ALA 53 H ALA 53 5.047 14.707 0.644 416 HA ALA 53 HA ALA 53 5.300 17.277 1.863 417 1HB ALA 53 1HB ALA 53 3.281 15.391 1.602 418 2HB ALA 53 2HB ALA 53 3.612 15.456 3.333 419 3HB ALA 53 3HB ALA 53 3.191 16.929 2.460 420 H MET 54 H MET 54 5.815 13.962 3.059 421 HA MET 54 HA MET 54 6.806 15.085 5.567 422 1HB MET 54 2HB MET 54 5.951 12.338 4.715 423 2HB MET 54 3HB MET 54 6.841 12.588 6.212 424 1HG MET 54 2HG MET 54 4.514 14.338 5.805 425 2HG MET 54 3HG MET 54 4.163 12.626 6.022 426 1HE MET 54 1HE MET 54 4.845 11.228 7.818 427 2HE MET 54 2HE MET 54 5.037 11.745 9.493 428 3HE MET 54 3HE MET 54 3.492 11.969 8.673 429 H GLY 55 H GLY 55 7.943 13.126 2.875 430 1HA GLY 55 1HA GLY 55 10.297 13.609 2.281 431 2HA GLY 55 2HA GLY 55 10.668 13.361 3.981 432 H LYS 56 H LYS 56 12.126 11.960 2.311 433 HA LYS 56 HA LYS 56 11.229 9.212 2.750 434 1HB LYS 56 2HB LYS 56 12.146 8.639 0.431 435 2HB LYS 56 3HB LYS 56 10.580 9.436 0.487 436 1HG LYS 56 2HG LYS 56 11.372 10.926 -0.946 437 2HG LYS 56 3HG LYS 56 12.449 11.502 0.329 438 1HD LYS 56 2HD LYS 56 14.103 9.781 -0.375 439 2HD LYS 56 3HD LYS 56 13.043 9.377 -1.727 440 1HE LYS 56 2HE LYS 56 13.498 12.217 -1.593 441 2HE LYS 56 3HE LYS 56 15.027 11.342 -1.651 442 1HZ LYS 56 HZ1 LYS 56 13.283 10.185 -3.511 443 2HZ LYS 56 HZ2 LYS 56 13.245 11.863 -3.742 444 3HZ LYS 56 HZ3 LYS 56 14.722 11.033 -3.802 445 HA PRO 57 HA PRO 57 15.347 8.494 4.095 446 1HB PRO 57 2HB PRO 57 16.145 6.268 2.637 447 2HB PRO 57 3HB PRO 57 15.232 6.239 4.150 448 1HG PRO 57 2HG PRO 57 14.266 5.966 1.344 449 2HG PRO 57 3HG PRO 57 13.678 5.177 2.816 450 1HD PRO 57 2HD PRO 57 12.355 7.221 1.661 451 2HD PRO 57 3HD PRO 57 12.378 6.989 3.421 452 H ASP 58 H ASP 58 17.230 9.403 3.677 453 HA ASP 58 HA ASP 58 18.012 9.887 0.890 454 1HB ASP 58 2HB ASP 58 18.008 11.866 2.351 455 2HB ASP 58 3HB ASP 58 19.102 11.058 3.467 456 H VAL 59 H VAL 59 18.851 7.957 0.280 457 HA VAL 59 HA VAL 59 21.236 7.060 1.736 458 HB VAL 59 HB VAL 59 20.514 4.706 0.787 459 1HG1 VAL 59 1HG1 VAL 59 20.481 5.892 3.261 460 2HG1 VAL 59 2HG1 VAL 59 18.839 5.268 3.099 461 3HG1 VAL 59 3HG1 VAL 59 20.217 4.179 2.936 462 1HG2 VAL 59 1HG2 VAL 59 18.273 6.222 0.103 463 2HG2 VAL 59 2HG2 VAL 59 18.441 4.463 0.056 464 3HG2 VAL 59 3HG2 VAL 59 17.784 5.250 1.493 465 H LYS 60 H LYS 60 22.912 6.300 0.504 466 HA LYS 60 HA LYS 60 23.252 7.495 -2.004 467 1HB LYS 60 2HB LYS 60 25.220 5.653 -2.024 468 2HB LYS 60 3HB LYS 60 25.309 7.158 -1.122 469 1HG LYS 60 2HG LYS 60 25.124 6.124 0.888 470 2HG LYS 60 3HG LYS 60 24.092 4.839 0.258 471 1HD LYS 60 2HD LYS 60 25.887 3.520 0.305 472 2HD LYS 60 3HD LYS 60 26.515 4.470 -1.043 473 1HE LYS 60 2HE LYS 60 26.920 5.541 1.695 474 2HE LYS 60 3HE LYS 60 27.867 4.129 1.228 475 1HZ LYS 60 HZ1 LYS 60 28.272 5.615 -0.899 476 2HZ LYS 60 HZ2 LYS 60 27.972 6.866 0.203 477 3HZ LYS 60 HZ3 LYS 60 29.230 5.769 0.491 478 H ASN 61 H ASN 61 22.459 4.196 -1.106 479 HA ASN 61 HA ASN 61 22.125 3.519 -3.945 480 1HB ASN 61 2HB ASN 61 22.109 1.103 -2.859 481 2HB ASN 61 3HB ASN 61 23.618 1.924 -3.219 482 1HD2 ASN 61 1HD2 ASN 61 24.400 0.372 -1.679 483 2HD2 ASN 61 2HD2 ASN 61 24.321 0.727 0.004 484 H TYR 62 H TYR 62 20.091 4.633 -3.839 485 HA TYR 62 HA TYR 62 17.993 3.185 -2.375 486 1HB TYR 62 HB2 TYR 62 18.291 5.376 -1.496 487 2HB TYR 62 HB3 TYR 62 18.400 6.085 -3.094 488 HD1 TYR 62 HD1 TYR 62 15.801 3.696 -1.934 489 HD2 TYR 62 HD2 TYR 62 16.748 7.712 -2.945 490 HE1 TYR 62 HE1 TYR 62 13.421 4.269 -1.859 491 HE2 TYR 62 HE2 TYR 62 14.371 8.302 -2.866 492 HH TYR 62 HH TYR 62 11.914 6.057 -1.760 493 H LYS 63 H LYS 63 16.419 2.209 -3.587 494 HA LYS 63 HA LYS 63 15.901 3.322 -6.256 495 1HB LYS 63 2HB LYS 63 15.448 0.420 -5.597 496 2HB LYS 63 3HB LYS 63 15.547 1.186 -7.172 497 1HG LYS 63 2HG LYS 63 17.981 1.657 -6.553 498 2HG LYS 63 3HG LYS 63 17.752 0.412 -5.324 499 1HD LYS 63 2HD LYS 63 16.679 -0.496 -7.816 500 2HD LYS 63 3HD LYS 63 18.325 0.079 -8.072 501 1HE LYS 63 2HE LYS 63 18.498 -1.385 -5.734 502 2HE LYS 63 3HE LYS 63 17.373 -2.312 -6.724 503 1HZ LYS 63 HZ1 LYS 63 19.709 -1.362 -8.139 504 2HZ LYS 63 HZ2 LYS 63 20.053 -2.471 -6.905 505 3HZ LYS 63 HZ3 LYS 63 18.988 -2.893 -8.148 506 H HIS 64 H HIS 64 13.949 4.305 -6.156 507 HA HIS 64 HA HIS 64 11.919 3.277 -4.316 508 1HB HIS 64 2HB HIS 64 12.280 5.701 -4.313 509 2HB HIS 64 3HB HIS 64 11.986 5.766 -6.045 510 HD1 HIS 64 HD1 HIS 64 9.912 7.131 -6.164 511 HD2 HIS 64 HD2 HIS 64 9.607 4.067 -3.368 512 HE1 HIS 64 HE1 HIS 64 7.501 7.119 -5.428 513 HE2 HIS 64 HE2 HIS 64 7.389 5.391 -3.608 514 H MET 65 H MET 65 10.663 1.700 -5.089 515 HA MET 65 HA MET 65 10.137 1.654 -7.988 516 1HB MET 65 2HB MET 65 10.950 -0.362 -6.059 517 2HB MET 65 3HB MET 65 9.534 -0.859 -6.975 518 1HG MET 65 2HG MET 65 11.317 -1.665 -8.214 519 2HG MET 65 3HG MET 65 10.861 -0.181 -9.048 520 1HE MET 65 1HE MET 65 12.077 1.273 -9.783 521 2HE MET 65 2HE MET 65 13.133 2.257 -8.769 522 3HE MET 65 3HE MET 65 13.827 1.103 -9.907 523 H SER 66 H SER 66 8.191 2.604 -8.282 524 HA SER 66 HA SER 66 6.108 2.208 -6.322 525 1HB SER 66 2HB SER 66 5.201 3.782 -8.514 526 2HB SER 66 3HB SER 66 5.631 4.312 -6.887 527 HG SER 66 HG SER 66 7.024 5.397 -8.149 528 H ARG 67 H ARG 67 4.970 2.770 -9.492 529 HA ARG 67 HA ARG 67 3.425 1.718 -10.760 530 1HB ARG 67 2HB ARG 67 5.517 -0.086 -10.614 531 2HB ARG 67 3HB ARG 67 4.126 -1.050 -10.133 532 1HG ARG 67 2HG ARG 67 4.454 -1.243 -12.505 533 2HG ARG 67 3HG ARG 67 2.966 -0.345 -12.195 534 1HD ARG 67 2HD ARG 67 5.178 1.470 -12.350 535 2HD ARG 67 3HD ARG 67 5.170 0.429 -13.773 536 HE ARG 67 HE ARG 67 2.725 1.855 -12.956 537 1HH1 ARG 67 1HH1 ARG 67 5.243 1.250 -15.320 538 2HH1 ARG 67 2HH1 ARG 67 4.455 2.140 -16.587 539 1HH2 ARG 67 1HH2 ARG 67 1.702 3.058 -14.604 540 2HH2 ARG 67 2HH2 ARG 67 2.432 3.171 -16.179 541 H GLY 68 H GLY 68 2.666 -1.263 -9.628 542 1HA GLY 68 1HA GLY 68 0.684 -0.134 -7.785 543 2HA GLY 68 2HA GLY 68 0.616 -1.726 -8.537 544 H LYS 69 H LYS 69 3.131 -2.676 -8.044 545 HA LYS 69 HA LYS 69 3.826 -2.242 -5.296 546 1HB LYS 69 2HB LYS 69 2.319 -4.646 -6.068 547 2HB LYS 69 3HB LYS 69 3.780 -4.962 -5.142 548 1HG LYS 69 2HG LYS 69 1.635 -3.032 -4.282 549 2HG LYS 69 3HG LYS 69 1.704 -4.721 -3.778 550 1HD LYS 69 2HD LYS 69 2.770 -3.698 -2.016 551 2HD LYS 69 3HD LYS 69 4.144 -4.088 -3.052 552 1HE LYS 69 2HE LYS 69 4.567 -1.887 -2.485 553 2HE LYS 69 3HE LYS 69 3.752 -1.722 -4.038 554 1HZ LYS 69 HZ1 LYS 69 1.690 -1.247 -2.862 555 2HZ LYS 69 HZ2 LYS 69 2.485 -1.396 -1.371 556 3HZ LYS 69 HZ3 LYS 69 2.903 -0.148 -2.432 557 H LEU 70 H LEU 70 5.145 -1.691 -7.580 558 HA LEU 70 HA LEU 70 7.250 -1.682 -8.372 559 1HB LEU 70 2HB LEU 70 8.702 -1.922 -6.724 560 2HB LEU 70 3HB LEU 70 7.427 -2.639 -5.770 561 HG LEU 70 HG LEU 70 8.482 -4.725 -7.351 562 1HD1 LEU 70 1HD1 LEU 70 10.587 -2.915 -6.197 563 2HD1 LEU 70 2HD1 LEU 70 10.865 -4.631 -6.497 564 3HD1 LEU 70 3HD1 LEU 70 10.472 -3.554 -7.836 565 1HD2 LEU 70 1HD2 LEU 70 7.838 -4.171 -4.686 566 2HD2 LEU 70 2HD2 LEU 70 8.280 -5.729 -5.387 567 3HD2 LEU 70 3HD2 LEU 70 9.522 -4.696 -4.678 568 H GLU 71 H GLU 71 5.322 -4.304 -8.669 569 HA GLU 71 HA GLU 71 6.770 -6.433 -9.501 570 1HB GLU 71 2HB GLU 71 4.542 -5.960 -11.331 571 2HB GLU 71 3HB GLU 71 4.821 -7.285 -10.210 572 1HG GLU 71 2HG GLU 71 2.996 -6.426 -9.211 573 2HG GLU 71 3HG GLU 71 4.183 -5.365 -8.457 574 HA PRO 72 HA PRO 72 7.376 -5.079 -14.032 575 1HB PRO 72 2HB PRO 72 6.397 -2.360 -14.390 576 2HB PRO 72 3HB PRO 72 5.954 -3.826 -15.265 577 1HG PRO 72 2HG PRO 72 4.254 -2.568 -13.584 578 2HG PRO 72 3HG PRO 72 4.237 -4.328 -13.817 579 1HD PRO 72 2HD PRO 72 5.472 -2.720 -11.608 580 2HD PRO 72 3HD PRO 72 4.511 -4.212 -11.508 581 H LEU 73 H LEU 73 7.898 -2.834 -11.473 582 HA LEU 73 HA LEU 73 9.952 -1.374 -12.908 583 1HB LEU 73 2HB LEU 73 8.289 -0.946 -10.587 584 2HB LEU 73 3HB LEU 73 9.969 -0.642 -10.194 585 HG LEU 73 HG LEU 73 8.737 1.388 -10.889 586 1HD1 LEU 73 1HD1 LEU 73 10.985 0.524 -12.697 587 2HD1 LEU 73 2HD1 LEU 73 10.415 2.183 -12.510 588 3HD1 LEU 73 3HD1 LEU 73 11.131 1.337 -11.138 589 1HD2 LEU 73 1HD2 LEU 73 8.146 -0.309 -13.216 590 2HD2 LEU 73 2HD2 LEU 73 7.229 1.025 -12.517 591 3HD2 LEU 73 3HD2 LEU 73 8.592 1.356 -13.584 592 H LEU 74 H LEU 74 9.745 -4.113 -10.917 593 HA LEU 74 HA LEU 74 12.086 -4.023 -9.425 594 1HB LEU 74 2HB LEU 74 10.293 -5.705 -9.207 595 2HB LEU 74 3HB LEU 74 10.786 -6.415 -10.731 596 HG LEU 74 HG LEU 74 13.002 -6.947 -9.681 597 1HD1 LEU 74 1HD1 LEU 74 12.779 -5.234 -7.863 598 2HD1 LEU 74 2HD1 LEU 74 11.602 -6.301 -7.097 599 3HD1 LEU 74 3HD1 LEU 74 13.266 -6.840 -7.321 600 1HD2 LEU 74 1HD2 LEU 74 10.400 -8.129 -9.126 601 2HD2 LEU 74 2HD2 LEU 74 11.904 -8.888 -9.648 602 3HD2 LEU 74 3HD2 LEU 74 11.631 -8.556 -7.939 603 H ALA 75 H ALA 75 11.594 -5.478 -12.626 604 HA ALA 75 HA ALA 75 14.325 -6.101 -13.054 605 1HB ALA 75 1HB ALA 75 11.826 -6.309 -14.516 606 2HB ALA 75 2HB ALA 75 13.195 -5.930 -15.562 607 3HB ALA 75 3HB ALA 75 13.240 -7.363 -14.535 608 H LYS 76 H LYS 76 12.486 -3.234 -13.449 609 HA LYS 76 HA LYS 76 14.030 -2.016 -15.486 610 1HB LYS 76 2HB LYS 76 12.132 -0.811 -13.470 611 2HB LYS 76 3HB LYS 76 12.827 0.065 -14.825 612 1HG LYS 76 2HG LYS 76 11.774 -1.789 -16.273 613 2HG LYS 76 3HG LYS 76 10.803 -2.130 -14.836 614 1HD LYS 76 2HD LYS 76 9.497 -0.361 -15.202 615 2HD LYS 76 3HD LYS 76 10.890 0.703 -15.401 616 1HE LYS 76 2HE LYS 76 10.224 -1.158 -17.619 617 2HE LYS 76 3HE LYS 76 9.181 0.241 -17.374 618 1HZ LYS 76 HZ1 LYS 76 11.792 1.160 -17.226 619 2HZ LYS 76 HZ2 LYS 76 11.736 0.121 -18.569 620 3HZ LYS 76 HZ3 LYS 76 10.668 1.439 -18.464 621 H SER 77 H SER 77 14.287 -2.077 -11.993 622 HA SER 77 HA SER 77 16.091 0.152 -11.877 623 1HB SER 77 2HB SER 77 16.435 -1.276 -9.533 624 2HB SER 77 3HB SER 77 15.271 0.026 -9.783 625 HG SER 77 HG SER 77 13.758 -1.399 -9.564 626 H GLY 78 H GLY 78 16.353 -3.356 -11.955 627 1HA GLY 78 1HA GLY 78 18.281 -4.419 -12.930 628 2HA GLY 78 2HA GLY 78 19.252 -3.057 -12.382 629 H LEU 79 H LEU 79 17.580 -5.967 -11.408 630 HA LEU 79 HA LEU 79 19.191 -5.975 -8.944 631 1HB LEU 79 2HB LEU 79 16.272 -6.501 -9.310 632 2HB LEU 79 3HB LEU 79 17.146 -7.306 -8.019 633 HG LEU 79 HG LEU 79 17.626 -4.423 -8.117 634 1HD1 LEU 79 1HD1 LEU 79 14.844 -5.487 -7.699 635 2HD1 LEU 79 2HD1 LEU 79 15.387 -3.925 -7.085 636 3HD1 LEU 79 3HD1 LEU 79 15.372 -4.233 -8.821 637 1HD2 LEU 79 1HD2 LEU 79 17.915 -6.435 -6.305 638 2HD2 LEU 79 2HD2 LEU 79 17.915 -4.715 -5.916 639 3HD2 LEU 79 3HD2 LEU 79 16.435 -5.657 -5.745 640 H ASP 80 H ASP 80 19.990 -7.942 -8.253 641 HA ASP 80 HA ASP 80 19.525 -10.262 -9.995 642 1HB ASP 80 2HB ASP 80 21.839 -8.863 -10.103 643 2HB ASP 80 3HB ASP 80 22.212 -9.934 -8.758 644 HA PRO 81 HA PRO 81 18.577 -12.263 -6.198 645 1HB PRO 81 2HB PRO 81 19.199 -14.851 -6.784 646 2HB PRO 81 3HB PRO 81 17.770 -14.018 -7.418 647 1HG PRO 81 2HG PRO 81 20.427 -14.488 -8.721 648 2HG PRO 81 3HG PRO 81 18.800 -14.669 -9.404 649 1HD PRO 81 2HD PRO 81 20.304 -12.500 -9.900 650 2HD PRO 81 3HD PRO 81 18.541 -12.393 -9.718 651 H GLU 82 H GLU 82 21.691 -11.641 -6.933 652 HA GLU 82 HA GLU 82 22.651 -13.072 -4.555 653 1HB GLU 82 2HB GLU 82 24.922 -12.932 -5.500 654 2HB GLU 82 3HB GLU 82 23.841 -13.859 -6.531 655 1HG GLU 82 2HG GLU 82 24.123 -12.477 -8.246 656 2HG GLU 82 3HG GLU 82 23.902 -11.046 -7.240 657 H LYS 83 H LYS 83 21.303 -10.404 -5.120 658 HA LYS 83 HA LYS 83 23.346 -8.643 -3.950 659 1HB LYS 83 2HB LYS 83 20.886 -8.010 -5.583 660 2HB LYS 83 3HB LYS 83 21.830 -6.787 -4.745 661 1HG LYS 83 2HG LYS 83 22.937 -8.637 -6.846 662 2HG LYS 83 3HG LYS 83 22.360 -6.997 -7.155 663 1HD LYS 83 2HD LYS 83 24.368 -6.219 -6.609 664 2HD LYS 83 3HD LYS 83 24.136 -6.839 -4.973 665 1HE LYS 83 2HE LYS 83 24.831 -9.008 -6.682 666 2HE LYS 83 3HE LYS 83 25.983 -7.701 -6.940 667 1HZ LYS 83 HZ1 LYS 83 25.916 -7.687 -4.309 668 2HZ LYS 83 HZ2 LYS 83 25.513 -9.320 -4.558 669 3HZ LYS 83 HZ3 LYS 83 26.962 -8.699 -5.181 670 HA PRO 84 HA PRO 84 20.725 -8.780 -0.319 671 1HB PRO 84 2HB PRO 84 22.455 -6.814 0.892 672 2HB PRO 84 3HB PRO 84 22.327 -8.534 1.260 673 1HG PRO 84 2HG PRO 84 24.524 -7.375 0.107 674 2HG PRO 84 3HG PRO 84 24.084 -9.078 -0.095 675 1HD PRO 84 2HD PRO 84 23.643 -6.768 -1.945 676 2HD PRO 84 3HD PRO 84 24.119 -8.442 -2.315 677 H VAL 85 H VAL 85 18.918 -7.638 0.003 678 HA VAL 85 HA VAL 85 18.970 -4.734 -0.418 679 HB VAL 85 HB VAL 85 16.548 -5.222 -1.425 680 1HG1 VAL 85 1HG1 VAL 85 18.923 -4.269 -2.391 681 2HG1 VAL 85 2HG1 VAL 85 18.566 -5.591 -3.504 682 3HG1 VAL 85 3HG1 VAL 85 17.395 -4.292 -3.272 683 1HG2 VAL 85 1HG2 VAL 85 18.168 -7.656 -2.137 684 2HG2 VAL 85 2HG2 VAL 85 16.589 -7.595 -1.352 685 3HG2 VAL 85 3HG2 VAL 85 16.750 -7.127 -3.045 686 H VAL 86 H VAL 86 17.336 -3.576 0.657 687 HA VAL 86 HA VAL 86 15.763 -5.116 2.608 688 HB VAL 86 HB VAL 86 17.552 -4.161 3.892 689 1HG1 VAL 86 1HG1 VAL 86 18.082 -2.429 2.095 690 2HG1 VAL 86 2HG1 VAL 86 16.899 -1.406 2.910 691 3HG1 VAL 86 3HG1 VAL 86 18.329 -1.964 3.777 692 1HG2 VAL 86 1HG2 VAL 86 14.840 -3.317 4.259 693 2HG2 VAL 86 2HG2 VAL 86 16.063 -3.703 5.472 694 3HG2 VAL 86 3HG2 VAL 86 15.936 -2.060 4.836 695 H VAL 87 H VAL 87 13.687 -4.305 3.007 696 HA VAL 87 HA VAL 87 12.818 -2.224 1.109 697 HB VAL 87 HB VAL 87 10.525 -3.268 1.377 698 1HG1 VAL 87 1HG1 VAL 87 12.767 -4.836 0.119 699 2HG1 VAL 87 2HG1 VAL 87 11.058 -5.184 -0.147 700 3HG1 VAL 87 3HG1 VAL 87 11.730 -3.630 -0.644 701 1HG2 VAL 87 1HG2 VAL 87 12.164 -5.419 2.704 702 2HG2 VAL 87 2HG2 VAL 87 10.799 -4.531 3.382 703 3HG2 VAL 87 3HG2 VAL 87 10.538 -5.675 2.065 704 H PHE 88 H PHE 88 11.517 -0.559 1.805 705 HA PHE 88 HA PHE 88 11.305 -0.273 4.729 706 1HB PHE 88 2HB PHE 88 12.642 1.369 3.121 707 2HB PHE 88 3HB PHE 88 11.043 2.075 2.895 708 HD1 PHE 88 HD1 PHE 88 12.564 0.582 5.937 709 HD2 PHE 88 HD2 PHE 88 11.137 4.112 4.030 710 HE1 PHE 88 HE1 PHE 88 12.759 1.804 8.054 711 HE2 PHE 88 HE2 PHE 88 11.329 5.330 6.144 712 HZ PHE 88 HZ PHE 88 12.140 4.180 8.161 713 H CYS 89 H CYS 89 9.391 0.878 5.574 714 HA CYS 89 HA CYS 89 7.185 1.227 5.818 715 1HB CYS 89 2HB CYS 89 7.633 1.756 2.973 716 2HB CYS 89 3HB CYS 89 5.976 1.298 3.359 717 H LYS 90 H LYS 90 7.597 -1.117 6.508 718 HA LYS 90 HA LYS 90 6.821 -3.279 4.952 719 1HB LYS 90 2HB LYS 90 6.571 -4.477 7.162 720 2HB LYS 90 3HB LYS 90 8.121 -3.705 6.875 721 1HG LYS 90 2HG LYS 90 7.920 -2.695 8.833 722 2HG LYS 90 3HG LYS 90 6.548 -1.792 8.184 723 1HD LYS 90 2HD LYS 90 4.994 -3.221 9.120 724 2HD LYS 90 3HD LYS 90 6.132 -4.568 9.205 725 1HE LYS 90 2HE LYS 90 6.066 -3.998 11.410 726 2HE LYS 90 3HE LYS 90 7.376 -2.946 10.879 727 1HZ LYS 90 HZ1 LYS 90 4.534 -2.102 11.099 728 2HZ LYS 90 HZ2 LYS 90 5.712 -1.816 12.281 729 3HZ LYS 90 HZ3 LYS 90 5.860 -1.108 10.746 730 H THR 91 H THR 91 4.872 -1.552 7.383 731 HA THR 91 HA THR 91 2.751 -3.378 7.171 732 HB THR 91 HB THR 91 1.893 -0.899 8.340 733 HG1 THR 91 HG1 THR 91 3.649 -0.264 9.342 734 1HG2 THR 91 1HG2 THR 91 2.337 -3.727 9.118 735 2HG2 THR 91 2HG2 THR 91 2.291 -2.537 10.421 736 3HG2 THR 91 3HG2 THR 91 0.914 -2.705 9.331 737 H ALA 92 H ALA 92 2.049 0.066 6.894 738 HA ALA 92 HA ALA 92 -0.283 -0.289 5.496 739 1HB ALA 92 1HB ALA 92 1.527 2.097 5.699 740 2HB ALA 92 2HB ALA 92 -0.025 2.159 4.863 741 3HB ALA 92 3HB ALA 92 0.036 1.765 6.582 742 H ALA 93 H ALA 93 2.770 0.863 4.071 743 HA ALA 93 HA ALA 93 1.862 0.844 1.407 744 1HB ALA 93 1HB ALA 93 4.069 1.768 2.702 745 2HB ALA 93 2HB ALA 93 4.729 0.424 1.769 746 3HB ALA 93 3HB ALA 93 3.863 1.725 0.950 747 H ARG 94 H ARG 94 3.129 -1.616 3.458 748 HA ARG 94 HA ARG 94 3.188 -3.866 3.279 749 1HB ARG 94 2HB ARG 94 1.373 -3.145 1.214 750 2HB ARG 94 3HB ARG 94 2.441 -4.382 0.571 751 1HG ARG 94 2HG ARG 94 0.305 -4.579 2.556 752 2HG ARG 94 3HG ARG 94 0.965 -5.799 1.468 753 1HD ARG 94 2HD ARG 94 1.844 -6.731 3.298 754 2HD ARG 94 3HD ARG 94 3.007 -5.405 3.271 755 HE ARG 94 HE ARG 94 1.307 -4.213 4.735 756 1HH1 ARG 94 1HH1 ARG 94 1.721 -7.693 4.742 757 2HH1 ARG 94 2HH1 ARG 94 1.168 -7.890 6.373 758 1HH2 ARG 94 1HH2 ARG 94 0.564 -4.465 6.875 759 2HH2 ARG 94 2HH2 ARG 94 0.498 -6.043 7.588 760 H ALA 95 H ALA 95 5.528 -2.857 3.158 761 HA ALA 95 HA ALA 95 7.068 -3.388 0.816 762 1HB ALA 95 1HB ALA 95 7.810 -3.134 3.722 763 2HB ALA 95 2HB ALA 95 8.993 -3.484 2.461 764 3HB ALA 95 3HB ALA 95 8.080 -1.978 2.419 765 H ALA 96 H ALA 96 5.635 -5.296 3.243 766 HA ALA 96 HA ALA 96 7.244 -7.588 3.231 767 1HB ALA 96 1HB ALA 96 4.740 -6.820 4.302 768 2HB ALA 96 2HB ALA 96 4.509 -8.350 3.454 769 3HB ALA 96 3HB ALA 96 5.727 -8.221 4.723 770 H LEU 97 H LEU 97 4.796 -6.439 0.979 771 HA LEU 97 HA LEU 97 4.703 -8.878 -0.541 772 1HB LEU 97 2HB LEU 97 3.511 -6.191 -0.749 773 2HB LEU 97 3HB LEU 97 3.860 -6.963 -2.291 774 HG LEU 97 HG LEU 97 1.530 -7.310 -1.448 775 1HD1 LEU 97 1HD1 LEU 97 3.310 -9.141 -2.630 776 2HD1 LEU 97 2HD1 LEU 97 2.330 -10.053 -1.482 777 3HD1 LEU 97 3HD1 LEU 97 1.550 -9.104 -2.748 778 1HD2 LEU 97 1HD2 LEU 97 3.029 -8.409 0.836 779 2HD2 LEU 97 2HD2 LEU 97 1.425 -7.676 0.771 780 3HD2 LEU 97 3HD2 LEU 97 1.646 -9.361 0.296 781 H ALA 98 H ALA 98 6.589 -5.957 -0.534 782 HA ALA 98 HA ALA 98 7.682 -6.275 -3.137 783 1HB ALA 98 1HB ALA 98 8.237 -4.503 -0.801 784 2HB ALA 98 2HB ALA 98 9.377 -4.566 -2.145 785 3HB ALA 98 3HB ALA 98 7.705 -4.082 -2.429 786 H GLY 99 H GLY 99 8.797 -7.038 0.122 787 1HA GLY 99 1HA GLY 99 11.373 -7.900 -0.903 788 2HA GLY 99 2HA GLY 99 10.911 -7.774 0.784 789 H LYS 100 H LYS 100 8.697 -9.407 0.885 790 HA LYS 100 HA LYS 100 9.961 -11.868 1.232 791 1HB LYS 100 2HB LYS 100 8.098 -12.484 2.336 792 2HB LYS 100 3HB LYS 100 7.665 -10.792 2.158 793 1HG LYS 100 2HG LYS 100 6.190 -11.250 0.380 794 2HG LYS 100 3HG LYS 100 6.839 -12.876 0.157 795 1HD LYS 100 2HD LYS 100 6.020 -12.874 2.790 796 2HD LYS 100 3HD LYS 100 4.778 -11.919 1.978 797 1HE LYS 100 2HE LYS 100 4.404 -14.437 2.118 798 2HE LYS 100 3HE LYS 100 4.205 -13.677 0.541 799 1HZ LYS 100 HZ1 LYS 100 6.805 -14.848 1.303 800 2HZ LYS 100 HZ2 LYS 100 5.553 -15.843 0.732 801 3HZ LYS 100 HZ3 LYS 100 6.149 -14.592 -0.246 802 H THR 101 H THR 101 8.374 -10.571 -1.529 803 HA THR 101 HA THR 101 7.826 -12.948 -2.948 804 HB THR 101 HB THR 101 8.326 -11.129 -4.848 805 HG1 THR 101 HG1 THR 101 7.352 -9.228 -3.277 806 1HG2 THR 101 1HG2 THR 101 5.926 -11.369 -3.063 807 2HG2 THR 101 2HG2 THR 101 5.945 -10.306 -4.472 808 3HG2 THR 101 3HG2 THR 101 6.159 -12.045 -4.674 809 H LEU 102 H LEU 102 10.491 -10.621 -2.961 810 HA LEU 102 HA LEU 102 11.997 -11.756 -4.968 811 1HB LEU 102 2HB LEU 102 12.745 -10.042 -2.620 812 2HB LEU 102 3HB LEU 102 13.948 -10.570 -3.780 813 HG LEU 102 HG LEU 102 11.508 -8.903 -4.400 814 1HD1 LEU 102 1HD1 LEU 102 14.405 -8.266 -4.016 815 2HD1 LEU 102 2HD1 LEU 102 13.394 -7.275 -5.068 816 3HD1 LEU 102 3HD1 LEU 102 12.984 -7.451 -3.362 817 1HD2 LEU 102 1HD2 LEU 102 13.140 -10.546 -6.079 818 2HD2 LEU 102 2HD2 LEU 102 11.750 -9.548 -6.504 819 3HD2 LEU 102 3HD2 LEU 102 13.371 -8.849 -6.504 820 H ARG 103 H ARG 103 12.104 -12.419 -1.479 821 HA ARG 103 HA ARG 103 14.274 -14.281 -1.696 822 1HB ARG 103 2HB ARG 103 13.368 -15.027 0.624 823 2HB ARG 103 3HB ARG 103 14.121 -13.448 0.456 824 1HG ARG 103 2HG ARG 103 12.186 -12.335 0.817 825 2HG ARG 103 3HG ARG 103 11.188 -13.597 0.098 826 1HD ARG 103 2HD ARG 103 12.616 -14.276 2.588 827 2HD ARG 103 3HD ARG 103 11.291 -13.123 2.720 828 HE ARG 103 HE ARG 103 9.782 -14.785 2.002 829 1HH1 ARG 103 1HH1 ARG 103 13.056 -15.987 2.431 830 2HH1 ARG 103 2HH1 ARG 103 12.568 -17.657 2.394 831 1HH2 ARG 103 1HH2 ARG 103 9.150 -16.952 1.997 832 2HH2 ARG 103 2HH2 ARG 103 10.343 -18.207 2.132 833 H GLU 104 H GLU 104 10.839 -14.438 -2.073 834 HA GLU 104 HA GLU 104 10.635 -17.304 -1.954 835 1HB GLU 104 2HB GLU 104 8.837 -15.040 -2.464 836 2HB GLU 104 3HB GLU 104 8.473 -16.464 -3.428 837 1HG GLU 104 2HG GLU 104 8.826 -17.558 -0.966 838 2HG GLU 104 3HG GLU 104 8.133 -15.988 -0.562 839 H TYR 105 H TYR 105 11.970 -15.166 -4.148 840 HA TYR 105 HA TYR 105 11.518 -16.960 -6.430 841 1HB TYR 105 HB2 TYR 105 12.766 -14.201 -6.392 842 2HB TYR 105 HB3 TYR 105 12.471 -15.178 -7.828 843 HD1 TYR 105 HD1 TYR 105 9.698 -16.200 -6.829 844 HD2 TYR 105 HD2 TYR 105 11.441 -12.326 -7.126 845 HE1 TYR 105 HE1 TYR 105 7.452 -15.209 -7.025 846 HE2 TYR 105 HE2 TYR 105 9.202 -11.329 -7.322 847 HH TYR 105 HH TYR 105 6.592 -12.502 -6.394 848 H GLY 106 H GLY 106 14.036 -15.468 -4.447 849 1HA GLY 106 1HA GLY 106 15.684 -17.415 -3.962 850 2HA GLY 106 2HA GLY 106 16.025 -17.255 -5.675 851 H PHE 107 H PHE 107 15.445 -14.677 -3.304 852 HA PHE 107 HA PHE 107 17.978 -13.474 -4.077 853 1HB PHE 107 2HB PHE 107 15.503 -12.526 -2.762 854 2HB PHE 107 3HB PHE 107 16.997 -11.778 -2.204 855 HD1 PHE 107 HD1 PHE 107 15.487 -12.792 -5.462 856 HD2 PHE 107 HD2 PHE 107 17.543 -9.807 -3.237 857 HE1 PHE 107 HE1 PHE 107 15.460 -11.322 -7.427 858 HE2 PHE 107 HE2 PHE 107 17.526 -8.326 -5.205 859 HZ PHE 107 HZ PHE 107 16.481 -9.083 -7.305 860 H LYS 108 H LYS 108 19.715 -13.265 -2.785 861 HA LYS 108 HA LYS 108 20.182 -15.247 -0.904 862 1HB LYS 108 2HB LYS 108 21.644 -12.830 -1.825 863 2HB LYS 108 3HB LYS 108 22.191 -13.577 -0.330 864 1HG LYS 108 2HG LYS 108 22.398 -15.731 -1.541 865 2HG LYS 108 3HG LYS 108 21.980 -14.886 -3.033 866 1HD LYS 108 2HD LYS 108 24.181 -14.548 -3.266 867 2HD LYS 108 3HD LYS 108 23.999 -13.334 -2.000 868 1HE LYS 108 2HE LYS 108 24.214 -15.703 -0.598 869 2HE LYS 108 3HE LYS 108 25.344 -15.913 -1.937 870 1HZ LYS 108 HZ1 LYS 108 26.278 -13.698 -1.328 871 2HZ LYS 108 HZ2 LYS 108 25.314 -13.723 0.069 872 3HZ LYS 108 HZ3 LYS 108 26.513 -14.899 -0.152 873 H THR 109 H THR 109 20.429 -11.790 -0.079 874 HA THR 109 HA THR 109 19.219 -12.440 2.522 875 HB THR 109 HB THR 109 21.234 -10.250 2.351 876 HG1 THR 109 HG1 THR 109 22.475 -12.539 3.028 877 1HG2 THR 109 1HG2 THR 109 20.053 -12.050 4.378 878 2HG2 THR 109 2HG2 THR 109 21.754 -11.636 4.599 879 3HG2 THR 109 3HG2 THR 109 20.540 -10.358 4.507 880 H ILE 110 H ILE 110 17.286 -11.537 2.515 881 HA ILE 110 HA ILE 110 17.061 -8.754 1.592 882 HB ILE 110 HB ILE 110 15.798 -10.520 0.261 883 1HG1 ILE 110 2HG1 ILE 110 13.676 -8.727 1.156 884 2HG1 ILE 110 3HG1 ILE 110 15.205 -7.896 0.878 885 1HG2 ILE 110 1HG2 ILE 110 14.208 -10.615 2.807 886 2HG2 ILE 110 2HG2 ILE 110 13.532 -11.081 1.244 887 3HG2 ILE 110 3HG2 ILE 110 14.918 -11.952 1.902 888 1HD1 ILE 110 1HD1 ILE 110 14.665 -9.726 -1.264 889 2HD1 ILE 110 2HD1 ILE 110 13.301 -8.633 -1.015 890 3HD1 ILE 110 3HD1 ILE 110 14.911 -7.978 -1.308 891 H TYR 111 H TYR 111 16.315 -7.266 2.996 892 HA TYR 111 HA TYR 111 15.458 -8.255 5.637 893 1HB TYR 111 HB2 TYR 111 16.622 -5.520 5.161 894 2HB TYR 111 HB3 TYR 111 16.526 -6.425 6.664 895 HD1 TYR 111 HD1 TYR 111 18.326 -6.139 3.443 896 HD2 TYR 111 HD2 TYR 111 18.264 -7.911 7.319 897 HE1 TYR 111 HE1 TYR 111 20.650 -6.884 3.135 898 HE2 TYR 111 HE2 TYR 111 20.587 -8.663 7.014 899 HH TYR 111 HH TYR 111 22.596 -7.952 5.641 900 H ASN 112 H ASN 112 13.756 -7.248 6.676 901 HA ASN 112 HA ASN 112 12.224 -5.299 5.076 902 1HB ASN 112 2HB ASN 112 11.186 -7.663 5.700 903 2HB ASN 112 3HB ASN 112 10.899 -6.876 7.248 904 1HD2 ASN 112 1HD2 ASN 112 9.244 -7.761 4.786 905 2HD2 ASN 112 2HD2 ASN 112 8.189 -6.406 4.539 906 H SER 113 H SER 113 11.603 -3.433 6.128 907 HA SER 113 HA SER 113 13.124 -2.936 8.555 908 1HB SER 113 2HB SER 113 11.659 -0.971 6.795 909 2HB SER 113 3HB SER 113 12.853 -0.591 8.038 910 HG SER 113 HG SER 113 13.243 -1.894 5.554 911 H GLU 114 H GLU 114 12.154 -3.236 10.424 912 HA GLU 114 HA GLU 114 9.372 -3.270 10.865 913 1HB GLU 114 2HB GLU 114 11.052 -4.378 12.328 914 2HB GLU 114 3HB GLU 114 11.585 -2.796 12.876 915 1HG GLU 114 2HG GLU 114 10.174 -3.257 14.568 916 2HG GLU 114 3HG GLU 114 8.995 -2.575 13.452 917 H GLY 115 H GLY 115 8.043 -1.757 11.915 918 1HA GLY 115 1HA GLY 115 7.447 0.381 12.691 919 2HA GLY 115 2HA GLY 115 9.034 0.971 12.208 920 H GLY 116 H GLY 116 9.192 2.058 10.369 921 1HA GLY 116 1HA GLY 116 8.090 1.632 7.941 922 2HA GLY 116 2HA GLY 116 6.819 2.505 8.789 923 H MET 117 H MET 117 7.163 4.143 7.111 924 HA MET 117 HA MET 117 9.569 5.553 6.783 925 1HB MET 117 2HB MET 117 7.446 5.634 5.343 926 2HB MET 117 3HB MET 117 6.840 6.803 6.509 927 1HG MET 117 2HG MET 117 7.785 7.923 4.589 928 2HG MET 117 3HG MET 117 8.736 8.266 6.034 929 1HE MET 117 1HE MET 117 8.468 5.688 3.076 930 2HE MET 117 2HE MET 117 8.858 7.263 2.385 931 3HE MET 117 3HE MET 117 10.035 5.952 2.307 932 H ASP 118 H ASP 118 7.010 5.828 9.127 933 HA ASP 118 HA ASP 118 7.639 8.330 10.206 934 1HB ASP 118 2HB ASP 118 6.142 7.823 11.918 935 2HB ASP 118 3HB ASP 118 5.567 6.820 10.593 936 H LYS 119 H LYS 119 9.002 5.125 10.797 937 HA LYS 119 HA LYS 119 10.448 5.894 13.121 938 1HB LYS 119 2HB LYS 119 10.096 3.505 11.498 939 2HB LYS 119 3HB LYS 119 11.760 3.706 12.028 940 1HG LYS 119 2HG LYS 119 10.878 2.478 13.748 941 2HG LYS 119 3HG LYS 119 10.668 4.122 14.359 942 1HD LYS 119 2HD LYS 119 8.356 3.887 13.071 943 2HD LYS 119 3HD LYS 119 8.645 2.176 13.390 944 1HE LYS 119 2HE LYS 119 7.643 2.608 15.349 945 2HE LYS 119 3HE LYS 119 9.218 3.258 15.806 946 1HZ LYS 119 HZ1 LYS 119 7.225 4.992 14.491 947 2HZ LYS 119 HZ2 LYS 119 7.125 4.685 16.156 948 3HZ LYS 119 HZ3 LYS 119 8.514 5.414 15.517 949 H TRP 120 H TRP 120 11.127 5.888 9.670 950 HA TRP 120 HA TRP 120 13.925 6.194 9.871 951 1HB TRP 120 HB2 TRP 120 12.506 5.677 7.772 952 2HB TRP 120 HB3 TRP 120 12.305 7.421 7.649 953 HD1 TRP 120 HD1 TRP 120 14.354 8.836 6.875 954 HE1 TRP 120 HE1 TRP 120 16.646 8.252 5.863 955 HE3 TRP 120 HE3 TRP 120 14.369 3.805 7.743 956 HZ2 TRP 120 HZ2 TRP 120 18.227 5.966 5.444 957 HZ3 TRP 120 HZ3 TRP 120 16.306 2.487 6.989 958 HH2 TRP 120 HH2 TRP 120 18.194 3.548 5.862 959 H LEU 121 H LEU 121 11.351 8.661 9.402 960 HA LEU 121 HA LEU 121 13.036 10.880 9.587 961 1HB LEU 121 2HB LEU 121 10.111 10.379 9.914 962 2HB LEU 121 3HB LEU 121 10.749 11.927 10.427 963 HG LEU 121 HG LEU 121 11.046 10.824 7.624 964 1HD1 LEU 121 1HD1 LEU 121 9.003 12.645 8.852 965 2HD1 LEU 121 2HD1 LEU 121 9.357 12.650 7.124 966 3HD1 LEU 121 3HD1 LEU 121 8.749 11.187 7.894 967 1HD2 LEU 121 1HD2 LEU 121 11.913 13.300 9.020 968 2HD2 LEU 121 2HD2 LEU 121 12.712 12.377 7.747 969 3HD2 LEU 121 3HD2 LEU 121 11.361 13.438 7.350 970 H GLU 122 H GLU 122 11.162 9.162 12.078 971 HA GLU 122 HA GLU 122 11.736 11.080 14.080 972 1HB GLU 122 2HB GLU 122 10.172 10.017 15.272 973 2HB GLU 122 3HB GLU 122 9.889 9.097 13.803 974 1HG GLU 122 2HG GLU 122 11.601 7.448 14.695 975 2HG GLU 122 3HG GLU 122 11.455 8.298 16.232 976 H GLU 123 H GLU 123 13.323 8.054 13.212 977 HA GLU 123 HA GLU 123 14.812 7.916 15.649 978 1HB GLU 123 2HB GLU 123 14.974 6.442 13.037 979 2HB GLU 123 3HB GLU 123 16.182 6.203 14.292 980 1HG GLU 123 2HG GLU 123 13.463 6.018 15.304 981 2HG GLU 123 3HG GLU 123 13.806 4.842 14.035 982 H GLY 124 H GLY 124 15.044 10.126 13.315 983 1HA GLY 124 1HA GLY 124 16.638 11.773 13.037 984 2HA GLY 124 2HA GLY 124 17.689 10.887 14.131 985 H LEU 125 H LEU 125 16.397 9.122 11.515 986 HA LEU 125 HA LEU 125 19.008 8.671 10.447 987 1HB LEU 125 2HB LEU 125 16.263 7.761 9.606 988 2HB LEU 125 3HB LEU 125 17.725 7.298 8.755 989 HG LEU 125 HG LEU 125 17.210 6.698 11.668 990 1HD1 LEU 125 1HD1 LEU 125 16.316 5.395 9.221 991 2HD1 LEU 125 2HD1 LEU 125 17.190 4.322 10.321 992 3HD1 LEU 125 3HD1 LEU 125 15.762 5.192 10.886 993 1HD2 LEU 125 1HD2 LEU 125 19.583 6.821 10.989 994 2HD2 LEU 125 2HD2 LEU 125 19.092 5.191 11.453 995 3HD2 LEU 125 3HD2 LEU 125 19.266 5.607 9.749 996 HA PRO 126 HA PRO 126 19.322 11.678 7.238 997 1HB PRO 126 2HB PRO 126 20.151 10.111 5.136 998 2HB PRO 126 3HB PRO 126 21.216 10.674 6.432 999 1HG PRO 126 2HG PRO 126 19.788 8.043 6.162 1000 2HG PRO 126 3HG PRO 126 21.484 8.353 6.607 1001 1HD PRO 126 2HD PRO 126 19.706 7.815 8.492 1002 2HD PRO 126 3HD PRO 126 20.903 9.105 8.750 1003 H SER 127 H SER 127 17.394 12.475 6.542 1004 HA SER 127 HA SER 127 15.904 10.833 4.618 1005 1HB SER 127 2HB SER 127 14.128 12.717 5.702 1006 2HB SER 127 3HB SER 127 14.149 10.982 6.017 1007 HG SER 127 HG SER 127 15.724 11.479 7.707 1008 H LEU 128 H LEU 128 15.050 11.925 2.833 1009 HA LEU 128 HA LEU 128 16.221 14.564 2.322 1010 1HB LEU 128 2HB LEU 128 15.752 12.251 0.712 1011 2HB LEU 128 3HB LEU 128 14.769 13.563 0.088 1012 HG LEU 128 HG LEU 128 17.604 14.198 0.662 1013 1HD1 LEU 128 1HD1 LEU 128 17.666 11.936 -0.376 1014 2HD1 LEU 128 2HD1 LEU 128 16.823 12.605 -1.773 1015 3HD1 LEU 128 3HD1 LEU 128 18.430 13.196 -1.342 1016 1HD2 LEU 128 1HD2 LEU 128 15.715 15.671 -0.357 1017 2HD2 LEU 128 2HD2 LEU 128 17.343 15.739 -1.031 1018 3HD2 LEU 128 3HD2 LEU 128 16.092 14.797 -1.842 1019 H ASP 129 H ASP 129 14.910 16.001 3.254 1020 HA ASP 129 HA ASP 129 12.061 15.914 2.540 1021 1HB ASP 129 2HB ASP 129 11.410 15.860 4.697 1022 2HB ASP 129 3HB ASP 129 13.062 15.387 5.069 1023 H ARG 130 H ARG 130 11.087 17.892 2.120 1024 HA ARG 130 HA ARG 130 12.927 20.046 1.548 1025 1HB ARG 130 2HB ARG 130 10.868 19.176 0.147 1026 2HB ARG 130 3HB ARG 130 9.960 20.258 1.194 1027 1HG ARG 130 2HG ARG 130 12.080 21.808 0.348 1028 2HG ARG 130 3HG ARG 130 11.660 20.854 -1.077 1029 1HD ARG 130 2HD ARG 130 9.799 22.028 -1.412 1030 2HD ARG 130 3HD ARG 130 9.300 21.840 0.269 1031 HE ARG 130 HE ARG 130 11.263 23.735 0.361 1032 1HH1 ARG 130 1HH1 ARG 130 8.232 23.424 -1.386 1033 2HH1 ARG 130 2HH1 ARG 130 7.987 25.144 -1.481 1034 1HH2 ARG 130 1HH2 ARG 130 10.926 25.972 0.224 1035 2HH2 ARG 130 2HH2 ARG 130 9.504 26.584 -0.572 1036 H SER 131 H SER 131 13.370 20.203 3.908 1037 HA SER 131 HA SER 131 11.537 21.000 5.819 1038 1HB SER 131 2HB SER 131 14.162 22.233 6.161 1039 2HB SER 131 3HB SER 131 13.357 21.010 7.146 1040 HG SER 131 HG SER 131 14.068 19.419 5.699 1041 H HIS 132 H HIS 132 10.143 22.615 5.486 1042 HA HIS 132 HA HIS 132 11.240 25.222 4.666 1043 1HB HIS 132 2HB HIS 132 9.133 25.694 3.525 1044 2HB HIS 132 3HB HIS 132 9.860 24.226 2.889 1045 HD1 HIS 132 HD1 HIS 132 8.670 21.946 3.547 1046 HD2 HIS 132 HD2 HIS 132 6.614 25.405 4.612 1047 HE1 HIS 132 HE1 HIS 132 6.311 21.214 4.045 1048 HE2 HIS 132 HE2 HIS 132 5.063 23.336 4.606 1049 H HIS 133 H HIS 133 10.728 26.969 5.843 1050 HA HIS 133 HA HIS 133 8.966 26.535 8.175 1051 1HB HIS 133 2HB HIS 133 11.551 26.944 8.428 1052 2HB HIS 133 3HB HIS 133 11.114 28.625 8.144 1053 HD1 HIS 133 HD1 HIS 133 10.405 29.921 10.137 1054 HD2 HIS 133 HD2 HIS 133 10.138 25.814 10.758 1055 HE1 HIS 133 HE1 HIS 133 9.794 29.637 12.560 1056 HE2 HIS 133 HE2 HIS 133 9.882 27.152 12.957 1057 H HIS 134 H HIS 134 9.151 28.060 5.278 1058 HA HIS 134 HA HIS 134 8.049 30.619 6.005 1059 1HB HIS 134 2HB HIS 134 9.505 30.045 3.948 1060 2HB HIS 134 3HB HIS 134 8.016 29.432 3.237 1061 HD1 HIS 134 HD1 HIS 134 9.512 32.647 4.563 1062 HD2 HIS 134 HD2 HIS 134 6.408 31.346 2.121 1063 HE1 HIS 134 HE1 HIS 134 8.546 34.726 3.529 1064 HE2 HIS 134 HE2 HIS 134 6.610 33.926 2.122 1065 H HIS 135 H HIS 135 6.340 29.327 7.283 1066 HA HIS 135 HA HIS 135 3.865 29.574 5.878 1067 1HB HIS 135 2HB HIS 135 3.799 27.461 5.068 1068 2HB HIS 135 3HB HIS 135 5.106 26.923 6.108 1069 HD1 HIS 135 HD1 HIS 135 1.328 27.419 6.184 1070 HD2 HIS 135 HD2 HIS 135 4.331 25.349 8.202 1071 HE1 HIS 135 HE1 HIS 135 0.145 25.859 7.761 1072 HE2 HIS 135 HE2 HIS 135 1.976 24.777 9.108 1073 H HIS 136 H HIS 136 2.349 30.179 7.257 1074 HA HIS 136 HA HIS 136 2.729 29.605 10.128 1075 1HB HIS 136 2HB HIS 136 0.840 31.771 9.431 1076 2HB HIS 136 3HB HIS 136 2.013 31.681 10.736 1077 HD1 HIS 136 HD1 HIS 136 1.377 33.273 7.535 1078 HD2 HIS 136 HD2 HIS 136 4.720 32.381 9.844 1079 HE1 HIS 136 HE1 HIS 136 3.225 34.724 6.643 1080 HE2 HIS 136 HE2 HIS 136 5.279 34.007 7.912 1081 H HIS 137 H HIS 137 0.326 30.253 7.627 1082 HA HIS 137 HA HIS 137 -1.331 28.111 8.758 1083 1HB HIS 137 2HB HIS 137 -2.083 30.836 7.920 1084 2HB HIS 137 3HB HIS 137 -3.093 29.562 7.245 1085 HD1 HIS 137 HD1 HIS 137 -2.686 27.817 10.018 1086 HD2 HIS 137 HD2 HIS 137 -4.244 31.647 9.535 1087 HE1 HIS 137 HE1 HIS 137 -4.132 28.227 12.037 1088 HE2 HIS 137 HE2 HIS 137 -5.188 30.485 11.640 1089 1H ALA 1 H1 ALA 1 23.994 -12.576 -13.282 1090 2H ALA 1 H2 ALA 1 25.402 -11.966 -12.562 1091 3H ALA 1 H3 ALA 1 23.879 -11.468 -12.006 1092 HA ALA 1 HA ALA 1 25.302 -9.989 -13.606 1093 1HB ALA 1 1HB ALA 1 25.483 -11.686 -15.344 1094 2HB ALA 1 2HB ALA 1 23.725 -11.763 -15.469 1095 3HB ALA 1 3HB ALA 1 24.578 -10.289 -15.927 1096 H ASP 2 H ASP 2 22.162 -11.001 -14.858 1097 HA ASP 2 HA ASP 2 20.752 -9.141 -13.166 1098 1HB ASP 2 2HB ASP 2 19.817 -7.761 -14.873 1099 2HB ASP 2 3HB ASP 2 21.556 -7.767 -15.141 1100 H MET 3 H MET 3 18.873 -9.983 -12.634 1101 HA MET 3 HA MET 3 17.883 -12.251 -14.233 1102 1HB MET 3 2HB MET 3 18.626 -12.188 -11.586 1103 2HB MET 3 3HB MET 3 16.884 -11.980 -11.485 1104 1HG MET 3 2HG MET 3 17.626 -14.327 -11.308 1105 2HG MET 3 3HG MET 3 16.501 -14.035 -12.633 1106 1HE MET 3 1HE MET 3 20.049 -13.626 -11.733 1107 2HE MET 3 2HE MET 3 20.719 -15.142 -12.335 1108 3HE MET 3 3HE MET 3 20.873 -13.669 -13.292 1109 H GLY 4 H GLY 4 17.301 -9.336 -14.521 1110 1HA GLY 4 1HA GLY 4 14.817 -8.638 -13.498 1111 2HA GLY 4 2HA GLY 4 15.529 -7.984 -14.961 1112 H GLU 5 H GLU 5 15.567 -10.098 -16.637 1113 HA GLU 5 HA GLU 5 12.941 -10.202 -17.614 1114 1HB GLU 5 2HB GLU 5 15.505 -11.125 -18.414 1115 2HB GLU 5 3HB GLU 5 14.396 -12.484 -18.532 1116 1HG GLU 5 2HG GLU 5 14.019 -11.636 -20.573 1117 2HG GLU 5 3HG GLU 5 12.909 -10.582 -19.699 1118 H LYS 6 H LYS 6 14.671 -12.277 -15.436 1119 HA LYS 6 HA LYS 6 12.906 -14.482 -15.669 1120 1HB LYS 6 2HB LYS 6 14.772 -13.981 -13.364 1121 2HB LYS 6 3HB LYS 6 14.204 -15.524 -13.988 1122 1HG LYS 6 2HG LYS 6 15.854 -13.676 -15.672 1123 2HG LYS 6 3HG LYS 6 16.596 -14.801 -14.534 1124 1HD LYS 6 2HD LYS 6 15.425 -16.661 -15.656 1125 2HD LYS 6 3HD LYS 6 14.767 -15.513 -16.824 1126 1HE LYS 6 2HE LYS 6 16.588 -16.199 -18.002 1127 2HE LYS 6 3HE LYS 6 17.334 -14.892 -17.085 1128 1HZ LYS 6 HZ1 LYS 6 17.445 -17.241 -15.550 1129 2HZ LYS 6 HZ2 LYS 6 18.026 -17.594 -17.104 1130 3HZ LYS 6 HZ3 LYS 6 18.731 -16.345 -16.205 1131 H PHE 7 H PHE 7 13.402 -12.230 -12.883 1132 HA PHE 7 HA PHE 7 11.106 -13.388 -11.634 1133 1HB PHE 7 2HB PHE 7 11.455 -11.546 -9.898 1134 2HB PHE 7 3HB PHE 7 12.695 -12.774 -10.065 1135 HD1 PHE 7 HD1 PHE 7 12.033 -9.578 -11.900 1136 HD2 PHE 7 HD2 PHE 7 14.713 -11.882 -9.532 1137 HE1 PHE 7 HE1 PHE 7 13.719 -7.797 -12.078 1138 HE2 PHE 7 HE2 PHE 7 16.403 -10.108 -9.712 1139 HZ PHE 7 HZ PHE 7 15.907 -8.058 -10.982 1140 H ASP 8 H ASP 8 11.555 -10.659 -13.677 1141 HA ASP 8 HA ASP 8 9.487 -8.981 -12.922 1142 1HB ASP 8 2HB ASP 8 11.040 -8.362 -14.689 1143 2HB ASP 8 3HB ASP 8 10.408 -9.629 -15.733 1144 H ALA 9 H ALA 9 9.316 -11.873 -14.969 1145 HA ALA 9 HA ALA 9 6.518 -11.644 -15.458 1146 1HB ALA 9 1HB ALA 9 8.567 -13.781 -15.892 1147 2HB ALA 9 2HB ALA 9 6.852 -14.130 -16.108 1148 3HB ALA 9 3HB ALA 9 7.625 -12.876 -17.078 1149 H THR 10 H THR 10 8.491 -13.282 -13.018 1150 HA THR 10 HA THR 10 6.413 -14.883 -11.958 1151 HB THR 10 HB THR 10 8.560 -14.011 -10.120 1152 HG1 THR 10 HG1 THR 10 9.064 -15.396 -12.573 1153 1HG2 THR 10 1HG2 THR 10 7.327 -16.617 -10.992 1154 2HG2 THR 10 2HG2 THR 10 8.755 -16.549 -9.959 1155 3HG2 THR 10 3HG2 THR 10 7.237 -15.837 -9.413 1156 H PHE 11 H PHE 11 7.766 -11.742 -10.947 1157 HA PHE 11 HA PHE 11 6.177 -11.333 -8.689 1158 1HB PHE 11 2HB PHE 11 8.130 -9.907 -9.970 1159 2HB PHE 11 3HB PHE 11 6.710 -8.919 -10.294 1160 HD1 PHE 11 HD1 PHE 11 5.149 -8.704 -8.064 1161 HD2 PHE 11 HD2 PHE 11 9.362 -9.280 -8.165 1162 HE1 PHE 11 HE1 PHE 11 5.336 -7.719 -5.816 1163 HE2 PHE 11 HE2 PHE 11 9.557 -8.298 -5.922 1164 HZ PHE 11 HZ PHE 11 7.546 -7.519 -4.743 1165 H LYS 12 H LYS 12 5.555 -10.714 -12.075 1166 HA LYS 12 HA LYS 12 3.103 -9.345 -11.774 1167 1HB LYS 12 2HB LYS 12 4.844 -10.036 -13.832 1168 2HB LYS 12 3HB LYS 12 3.357 -10.876 -14.212 1169 1HG LYS 12 2HG LYS 12 2.853 -8.934 -15.235 1170 2HG LYS 12 3HG LYS 12 2.360 -8.458 -13.609 1171 1HD LYS 12 2HD LYS 12 3.726 -6.703 -14.320 1172 2HD LYS 12 3HD LYS 12 4.789 -7.687 -13.313 1173 1HE LYS 12 2HE LYS 12 5.824 -8.666 -15.219 1174 2HE LYS 12 3HE LYS 12 4.621 -7.975 -16.306 1175 1HZ LYS 12 HZ1 LYS 12 5.571 -5.772 -15.209 1176 2HZ LYS 12 HZ2 LYS 12 6.958 -6.744 -15.083 1177 3HZ LYS 12 HZ3 LYS 12 6.246 -6.462 -16.598 1178 H ALA 13 H ALA 13 4.011 -12.684 -11.765 1179 HA ALA 13 HA ALA 13 1.386 -13.722 -12.297 1180 1HB ALA 13 1HB ALA 13 3.712 -14.859 -12.597 1181 2HB ALA 13 2HB ALA 13 3.495 -15.309 -10.905 1182 3HB ALA 13 3HB ALA 13 2.314 -15.820 -12.114 1183 H GLN 14 H GLN 14 3.372 -13.217 -9.411 1184 HA GLN 14 HA GLN 14 1.460 -14.308 -7.600 1185 1HB GLN 14 2HB GLN 14 3.892 -12.570 -7.242 1186 2HB GLN 14 3HB GLN 14 2.859 -12.982 -5.881 1187 1HG GLN 14 2HG GLN 14 3.258 -15.434 -6.843 1188 2HG GLN 14 3HG GLN 14 4.734 -14.669 -7.426 1189 1HE2 GLN 14 1HE2 GLN 14 5.189 -16.606 -5.765 1190 2HE2 GLN 14 2HE2 GLN 14 5.573 -16.065 -4.165 1191 H VAL 15 H VAL 15 2.380 -10.982 -8.413 1192 HA VAL 15 HA VAL 15 0.500 -9.736 -6.766 1193 HB VAL 15 HB VAL 15 2.442 -8.912 -8.678 1194 1HG1 VAL 15 1HG1 VAL 15 0.400 -8.462 -10.104 1195 2HG1 VAL 15 2HG1 VAL 15 -0.050 -7.245 -8.909 1196 3HG1 VAL 15 3HG1 VAL 15 1.462 -7.085 -9.802 1197 1HG2 VAL 15 1HG2 VAL 15 0.878 -7.434 -6.566 1198 2HG2 VAL 15 2HG2 VAL 15 2.436 -8.236 -6.369 1199 3HG2 VAL 15 3HG2 VAL 15 2.304 -6.800 -7.384 1200 H LYS 16 H LYS 16 0.173 -11.038 -10.013 1201 HA LYS 16 HA LYS 16 -2.350 -9.826 -10.565 1202 1HB LYS 16 2HB LYS 16 -0.571 -11.738 -11.872 1203 2HB LYS 16 3HB LYS 16 -2.274 -12.102 -12.117 1204 1HG LYS 16 2HG LYS 16 -1.492 -9.285 -12.502 1205 2HG LYS 16 3HG LYS 16 -0.865 -10.439 -13.680 1206 1HD LYS 16 2HD LYS 16 -3.746 -9.904 -12.976 1207 2HD LYS 16 3HD LYS 16 -2.940 -9.607 -14.518 1208 1HE LYS 16 2HE LYS 16 -3.238 -12.341 -13.299 1209 2HE LYS 16 3HE LYS 16 -4.405 -11.653 -14.428 1210 1HZ LYS 16 HZ1 LYS 16 -1.840 -11.377 -15.526 1211 2HZ LYS 16 HZ2 LYS 16 -2.013 -12.982 -15.005 1212 3HZ LYS 16 HZ3 LYS 16 -3.134 -12.317 -16.093 1213 H ALA 17 H ALA 17 -1.343 -12.824 -9.044 1214 HA ALA 17 HA ALA 17 -3.772 -14.214 -9.098 1215 1HB ALA 17 1HB ALA 17 -1.619 -15.215 -8.431 1216 2HB ALA 17 2HB ALA 17 -1.675 -14.292 -6.929 1217 3HB ALA 17 3HB ALA 17 -2.896 -15.522 -7.253 1218 H ALA 18 H ALA 18 -2.715 -11.544 -7.192 1219 HA ALA 18 HA ALA 18 -4.597 -11.783 -5.086 1220 1HB ALA 18 1HB ALA 18 -2.512 -10.510 -4.883 1221 2HB ALA 18 2HB ALA 18 -3.131 -9.330 -6.040 1222 3HB ALA 18 3HB ALA 18 -3.926 -9.537 -4.479 1223 H LYS 19 H LYS 19 -4.736 -10.256 -8.289 1224 HA LYS 19 HA LYS 19 -7.283 -9.000 -7.726 1225 1HB LYS 19 2HB LYS 19 -7.156 -8.033 -9.828 1226 2HB LYS 19 3HB LYS 19 -5.464 -8.153 -9.377 1227 1HG LYS 19 2HG LYS 19 -5.103 -9.170 -11.311 1228 2HG LYS 19 3HG LYS 19 -6.025 -10.543 -10.699 1229 1HD LYS 19 2HD LYS 19 -7.212 -10.114 -12.604 1230 2HD LYS 19 3HD LYS 19 -8.071 -9.050 -11.488 1231 1HE LYS 19 2HE LYS 19 -6.704 -7.167 -12.228 1232 2HE LYS 19 3HE LYS 19 -5.830 -8.227 -13.332 1233 1HZ LYS 19 HZ1 LYS 19 -8.579 -8.500 -13.836 1234 2HZ LYS 19 HZ2 LYS 19 -8.219 -6.838 -13.792 1235 3HZ LYS 19 HZ3 LYS 19 -7.378 -7.860 -14.849 1236 H ALA 20 H ALA 20 -6.050 -11.990 -8.837 1237 HA ALA 20 HA ALA 20 -8.382 -12.806 -10.302 1238 1HB ALA 20 1HB ALA 20 -5.756 -13.961 -9.654 1239 2HB ALA 20 2HB ALA 20 -7.066 -15.125 -9.855 1240 3HB ALA 20 3HB ALA 20 -6.677 -14.001 -11.158 1241 H ASP 21 H ASP 21 -7.299 -12.996 -7.031 1242 HA ASP 21 HA ASP 21 -9.218 -15.036 -6.280 1243 1HB ASP 21 2HB ASP 21 -6.811 -14.406 -5.260 1244 2HB ASP 21 3HB ASP 21 -7.822 -13.419 -4.209 1245 H MET 22 H MET 22 -9.975 -12.316 -7.370 1246 HA MET 22 HA MET 22 -11.996 -11.711 -5.342 1247 1HB MET 22 2HB MET 22 -10.138 -9.688 -6.605 1248 2HB MET 22 3HB MET 22 -11.604 -9.261 -5.734 1249 1HG MET 22 2HG MET 22 -10.389 -10.796 -3.890 1250 2HG MET 22 3HG MET 22 -8.985 -10.140 -4.730 1251 1HE MET 22 1HE MET 22 -12.421 -9.299 -3.783 1252 2HE MET 22 2HE MET 22 -12.189 -8.398 -2.282 1253 3HE MET 22 3HE MET 22 -12.399 -7.536 -3.809 1254 H VAL 23 H VAL 23 -13.837 -10.548 -6.212 1255 HA VAL 23 HA VAL 23 -14.326 -11.118 -9.022 1256 HB VAL 23 HB VAL 23 -16.124 -9.745 -7.005 1257 1HG1 VAL 23 1HG1 VAL 23 -16.739 -10.884 -9.732 1258 2HG1 VAL 23 2HG1 VAL 23 -17.924 -10.231 -8.600 1259 3HG1 VAL 23 3HG1 VAL 23 -16.698 -9.175 -9.299 1260 1HG2 VAL 23 1HG2 VAL 23 -15.411 -12.226 -6.656 1261 2HG2 VAL 23 2HG2 VAL 23 -17.109 -11.773 -6.505 1262 3HG2 VAL 23 3HG2 VAL 23 -16.530 -12.540 -7.984 1263 H MET 24 H MET 24 -13.170 -9.750 -10.270 1264 HA MET 24 HA MET 24 -12.652 -7.056 -9.518 1265 1HB MET 24 2HB MET 24 -12.093 -8.679 -11.978 1266 2HB MET 24 3HB MET 24 -11.795 -6.945 -11.969 1267 1HG MET 24 2HG MET 24 -10.674 -8.116 -9.616 1268 2HG MET 24 3HG MET 24 -10.123 -9.003 -11.035 1269 1HE MET 24 1HE MET 24 -9.704 -6.337 -8.719 1270 2HE MET 24 2HE MET 24 -8.609 -5.152 -9.429 1271 3HE MET 24 3HE MET 24 -10.343 -5.044 -9.733 1272 H LEU 25 H LEU 25 -14.074 -5.505 -9.562 1273 HA LEU 25 HA LEU 25 -15.975 -5.344 -11.801 1274 1HB LEU 25 2HB LEU 25 -16.400 -5.312 -8.914 1275 2HB LEU 25 3HB LEU 25 -17.095 -3.914 -9.709 1276 HG LEU 25 HG LEU 25 -17.819 -6.804 -9.998 1277 1HD1 LEU 25 1HD1 LEU 25 -19.010 -4.355 -8.991 1278 2HD1 LEU 25 2HD1 LEU 25 -20.064 -5.209 -10.120 1279 3HD1 LEU 25 3HD1 LEU 25 -19.446 -6.037 -8.689 1280 1HD2 LEU 25 1HD2 LEU 25 -17.396 -5.999 -12.279 1281 2HD2 LEU 25 2HD2 LEU 25 -19.109 -6.299 -11.992 1282 3HD2 LEU 25 3HD2 LEU 25 -18.493 -4.647 -11.995 1283 H SER 26 H SER 26 -16.337 -3.315 -12.656 1284 HA SER 26 HA SER 26 -14.241 -1.383 -12.214 1285 1HB SER 26 2HB SER 26 -16.323 -0.422 -13.956 1286 2HB SER 26 3HB SER 26 -14.669 -0.883 -14.361 1287 HG SER 26 HG SER 26 -15.325 -2.825 -14.961 1288 HA PRO 27 HA PRO 27 -15.956 1.132 -9.085 1289 1HB PRO 27 2HB PRO 27 -15.553 3.616 -10.408 1290 2HB PRO 27 3HB PRO 27 -14.500 2.840 -9.225 1291 1HG PRO 27 2HG PRO 27 -14.369 2.793 -12.199 1292 2HG PRO 27 3HG PRO 27 -13.051 2.760 -11.011 1293 1HD PRO 27 2HD PRO 27 -13.713 0.549 -12.300 1294 2HD PRO 27 3HD PRO 27 -13.362 0.481 -10.565 1295 H LYS 28 H LYS 28 -17.223 1.572 -12.356 1296 HA LYS 28 HA LYS 28 -19.406 3.244 -11.524 1297 1HB LYS 28 2HB LYS 28 -19.193 1.585 -14.041 1298 2HB LYS 28 3HB LYS 28 -20.253 2.959 -13.766 1299 1HG LYS 28 2HG LYS 28 -18.029 4.255 -13.391 1300 2HG LYS 28 3HG LYS 28 -17.316 2.906 -14.277 1301 1HD LYS 28 2HD LYS 28 -19.724 4.309 -15.365 1302 2HD LYS 28 3HD LYS 28 -18.122 5.020 -15.565 1303 1HE LYS 28 2HE LYS 28 -18.680 2.172 -16.318 1304 2HE LYS 28 3HE LYS 28 -19.019 3.497 -17.427 1305 1HZ LYS 28 HZ1 LYS 28 -16.404 3.733 -16.330 1306 2HZ LYS 28 HZ2 LYS 28 -16.609 2.218 -17.064 1307 3HZ LYS 28 HZ3 LYS 28 -16.884 3.636 -17.954 1308 H ASP 29 H ASP 29 -18.948 -0.183 -12.250 1309 HA ASP 29 HA ASP 29 -21.659 -0.921 -11.635 1310 1HB ASP 29 2HB ASP 29 -19.601 -2.199 -12.927 1311 2HB ASP 29 3HB ASP 29 -19.606 -3.017 -11.364 1312 H ALA 30 H ALA 30 -18.639 -0.629 -9.951 1313 HA ALA 30 HA ALA 30 -19.367 -2.003 -7.588 1314 1HB ALA 30 1HB ALA 30 -17.029 -1.371 -8.308 1315 2HB ALA 30 2HB ALA 30 -17.391 0.257 -7.734 1316 3HB ALA 30 3HB ALA 30 -17.421 -1.101 -6.607 1317 H TYR 31 H TYR 31 -19.324 1.495 -8.373 1318 HA TYR 31 HA TYR 31 -20.428 2.293 -5.908 1319 1HB TYR 31 HB2 TYR 31 -19.291 3.916 -7.278 1320 2HB TYR 31 HB3 TYR 31 -20.438 3.679 -8.590 1321 HD1 TYR 31 HD1 TYR 31 -20.435 4.606 -4.973 1322 HD2 TYR 31 HD2 TYR 31 -22.129 5.246 -8.823 1323 HE1 TYR 31 HE1 TYR 31 -21.850 6.386 -4.047 1324 HE2 TYR 31 HE2 TYR 31 -23.550 7.028 -7.904 1325 HH TYR 31 HH TYR 31 -24.055 8.249 -6.124 1326 H LYS 32 H LYS 32 -21.876 1.127 -8.844 1327 HA LYS 32 HA LYS 32 -24.496 2.012 -8.548 1328 1HB LYS 32 2HB LYS 32 -23.581 0.843 -10.546 1329 2HB LYS 32 3HB LYS 32 -23.600 -0.662 -9.636 1330 1HG LYS 32 2HG LYS 32 -25.697 -1.005 -10.233 1331 2HG LYS 32 3HG LYS 32 -26.177 0.508 -9.460 1332 1HD LYS 32 2HD LYS 32 -25.132 1.507 -11.694 1333 2HD LYS 32 3HD LYS 32 -25.607 -0.078 -12.308 1334 1HE LYS 32 2HE LYS 32 -27.459 1.299 -12.705 1335 2HE LYS 32 3HE LYS 32 -27.882 0.379 -11.261 1336 1HZ LYS 32 HZ1 LYS 32 -26.602 3.013 -10.970 1337 2HZ LYS 32 HZ2 LYS 32 -28.254 2.933 -11.335 1338 3HZ LYS 32 HZ3 LYS 32 -27.668 2.210 -9.917 1339 H LEU 33 H LEU 33 -23.060 -1.054 -7.401 1340 HA LEU 33 HA LEU 33 -25.419 -1.852 -6.037 1341 1HB LEU 33 2HB LEU 33 -23.637 -3.362 -4.785 1342 2HB LEU 33 3HB LEU 33 -24.188 -3.712 -6.410 1343 HG LEU 33 HG LEU 33 -22.017 -2.094 -6.870 1344 1HD1 LEU 33 1HD1 LEU 33 -21.626 -2.410 -4.318 1345 2HD1 LEU 33 2HD1 LEU 33 -21.059 -4.015 -4.791 1346 3HD1 LEU 33 3HD1 LEU 33 -20.272 -2.574 -5.443 1347 1HD2 LEU 33 1HD2 LEU 33 -22.846 -4.740 -7.347 1348 2HD2 LEU 33 2HD2 LEU 33 -21.574 -3.835 -8.168 1349 3HD2 LEU 33 3HD2 LEU 33 -21.183 -4.827 -6.763 1350 H LEU 34 H LEU 34 -22.754 0.170 -5.174 1351 HA LEU 34 HA LEU 34 -23.078 0.039 -2.344 1352 1HB LEU 34 2HB LEU 34 -21.904 2.278 -3.991 1353 2HB LEU 34 3HB LEU 34 -21.681 2.026 -2.272 1354 HG LEU 34 HG LEU 34 -20.723 0.105 -4.384 1355 1HD1 LEU 34 1HD1 LEU 34 -19.241 2.291 -2.933 1356 2HD1 LEU 34 2HD1 LEU 34 -18.482 1.021 -3.892 1357 3HD1 LEU 34 3HD1 LEU 34 -19.552 2.189 -4.666 1358 1HD2 LEU 34 1HD2 LEU 34 -20.986 -0.054 -1.551 1359 2HD2 LEU 34 2HD2 LEU 34 -20.348 -1.253 -2.677 1360 3HD2 LEU 34 3HD2 LEU 34 -19.273 -0.045 -1.970 1361 H GLN 35 H GLN 35 -24.094 2.390 -4.807 1362 HA GLN 35 HA GLN 35 -25.384 4.049 -2.901 1363 1HB GLN 35 2HB GLN 35 -25.992 5.448 -4.729 1364 2HB GLN 35 3HB GLN 35 -24.354 4.874 -4.992 1365 1HG GLN 35 2HG GLN 35 -24.899 3.949 -6.928 1366 2HG GLN 35 3HG GLN 35 -26.304 3.140 -6.231 1367 1HE2 GLN 35 1HE2 GLN 35 -27.793 3.552 -7.755 1368 2HE2 GLN 35 2HE2 GLN 35 -28.303 5.148 -8.196 1369 H GLU 36 H GLU 36 -26.487 1.353 -4.801 1370 HA GLU 36 HA GLU 36 -29.267 2.104 -4.439 1371 1HB GLU 36 2HB GLU 36 -27.770 0.276 -6.135 1372 2HB GLU 36 3HB GLU 36 -29.201 -0.482 -5.446 1373 1HG GLU 36 2HG GLU 36 -30.564 0.645 -6.789 1374 2HG GLU 36 3HG GLU 36 -29.755 2.176 -6.458 1375 H ASN 37 H ASN 37 -26.933 -0.183 -3.150 1376 HA ASN 37 HA ASN 37 -28.968 -1.051 -1.203 1377 1HB ASN 37 2HB ASN 37 -26.738 -2.900 -1.935 1378 2HB ASN 37 3HB ASN 37 -28.368 -3.269 -1.386 1379 1HD2 ASN 37 1HD2 ASN 37 -26.337 -2.637 -4.090 1380 2HD2 ASN 37 2HD2 ASN 37 -27.498 -3.004 -5.321 1381 HA PRO 38 HA PRO 38 -25.746 0.888 1.295 1382 1HB PRO 38 2HB PRO 38 -27.783 0.701 3.405 1383 2HB PRO 38 3HB PRO 38 -26.968 2.125 2.753 1384 1HG PRO 38 2HG PRO 38 -29.549 1.630 2.235 1385 2HG PRO 38 3HG PRO 38 -28.480 2.362 1.023 1386 1HD PRO 38 2HD PRO 38 -29.404 -0.483 1.262 1387 2HD PRO 38 3HD PRO 38 -29.274 0.539 -0.186 1388 H ASP 39 H ASP 39 -26.711 -2.222 1.311 1389 HA ASP 39 HA ASP 39 -25.460 -2.896 3.875 1390 1HB ASP 39 2HB ASP 39 -27.581 -4.080 2.822 1391 2HB ASP 39 3HB ASP 39 -26.359 -4.991 1.938 1392 H ILE 40 H ILE 40 -24.942 -2.807 0.469 1393 HA ILE 40 HA ILE 40 -22.474 -4.321 0.563 1394 HB ILE 40 HB ILE 40 -23.314 -2.591 -1.742 1395 1HG1 ILE 40 2HG1 ILE 40 -24.423 -5.295 -0.973 1396 2HG1 ILE 40 3HG1 ILE 40 -25.320 -3.813 -1.278 1397 1HG2 ILE 40 1HG2 ILE 40 -21.325 -4.627 -1.225 1398 2HG2 ILE 40 2HG2 ILE 40 -22.309 -5.015 -2.635 1399 3HG2 ILE 40 3HG2 ILE 40 -21.447 -3.479 -2.559 1400 1HD1 ILE 40 1HD1 ILE 40 -23.727 -4.672 -3.556 1401 2HD1 ILE 40 2HD1 ILE 40 -24.933 -5.856 -3.054 1402 3HD1 ILE 40 3HD1 ILE 40 -25.427 -4.214 -3.465 1403 H THR 41 H THR 41 -21.016 -3.298 1.799 1404 HA THR 41 HA THR 41 -20.685 -0.421 1.638 1405 HB THR 41 HB THR 41 -18.856 -2.112 3.272 1406 HG1 THR 41 HG1 THR 41 -21.572 -2.338 3.346 1407 1HG2 THR 41 1HG2 THR 41 -19.882 0.604 3.249 1408 2HG2 THR 41 2HG2 THR 41 -20.056 -0.154 4.832 1409 3HG2 THR 41 3HG2 THR 41 -18.468 -0.060 4.070 1410 H LEU 42 H LEU 42 -18.791 0.662 0.964 1411 HA LEU 42 HA LEU 42 -16.862 -1.007 -0.499 1412 1HB LEU 42 2HB LEU 42 -17.611 0.587 -2.050 1413 2HB LEU 42 3HB LEU 42 -17.689 1.861 -0.845 1414 HG LEU 42 HG LEU 42 -15.048 1.434 -0.814 1415 1HD1 LEU 42 1HD1 LEU 42 -15.939 -0.106 -3.025 1416 2HD1 LEU 42 2HD1 LEU 42 -15.021 1.268 -3.641 1417 3HD1 LEU 42 3HD1 LEU 42 -14.290 0.173 -2.467 1418 1HD2 LEU 42 1HD2 LEU 42 -16.400 3.526 -1.360 1419 2HD2 LEU 42 2HD2 LEU 42 -14.805 3.377 -2.097 1420 3HD2 LEU 42 3HD2 LEU 42 -16.253 3.038 -3.049 1421 H ILE 43 H ILE 43 -14.878 -1.161 0.259 1422 HA ILE 43 HA ILE 43 -14.158 0.558 2.533 1423 HB ILE 43 HB ILE 43 -13.270 -2.244 1.853 1424 1HG1 ILE 43 2HG1 ILE 43 -14.536 -1.115 4.345 1425 2HG1 ILE 43 3HG1 ILE 43 -15.465 -1.817 3.022 1426 1HG2 ILE 43 1HG2 ILE 43 -11.839 -0.178 3.283 1427 2HG2 ILE 43 2HG2 ILE 43 -12.212 -1.539 4.342 1428 3HG2 ILE 43 3HG2 ILE 43 -11.315 -1.807 2.846 1429 1HD1 ILE 43 1HD1 ILE 43 -13.318 -3.536 4.022 1430 2HD1 ILE 43 2HD1 ILE 43 -14.593 -3.188 5.191 1431 3HD1 ILE 43 3HD1 ILE 43 -14.997 -3.918 3.635 1432 H ASP 44 H ASP 44 -12.737 2.062 2.098 1433 HA ASP 44 HA ASP 44 -10.960 1.679 -0.192 1434 1HB ASP 44 2HB ASP 44 -11.779 3.786 -0.529 1435 2HB ASP 44 3HB ASP 44 -12.103 4.048 1.176 1436 H VAL 45 H VAL 45 -9.009 1.072 0.137 1437 HA VAL 45 HA VAL 45 -7.807 1.467 2.798 1438 HB VAL 45 HB VAL 45 -6.740 -0.705 1.073 1439 1HG1 VAL 45 1HG1 VAL 45 -6.151 0.108 3.537 1440 2HG1 VAL 45 2HG1 VAL 45 -7.425 -1.044 3.937 1441 3HG1 VAL 45 3HG1 VAL 45 -6.002 -1.578 3.042 1442 1HG2 VAL 45 1HG2 VAL 45 -9.505 -0.609 1.568 1443 2HG2 VAL 45 2HG2 VAL 45 -8.565 -1.969 0.953 1444 3HG2 VAL 45 3HG2 VAL 45 -8.840 -1.799 2.688 1445 H ARG 46 H ARG 46 -6.677 3.263 2.419 1446 HA ARG 46 HA ARG 46 -4.402 3.158 0.648 1447 1HB ARG 46 2HB ARG 46 -6.723 4.026 -0.484 1448 2HB ARG 46 3HB ARG 46 -6.079 5.534 0.147 1449 1HG ARG 46 2HG ARG 46 -3.901 4.378 -1.071 1450 2HG ARG 46 3HG ARG 46 -5.243 3.968 -2.142 1451 1HD ARG 46 2HD ARG 46 -4.863 6.005 -3.013 1452 2HD ARG 46 3HD ARG 46 -5.780 6.571 -1.617 1453 HE ARG 46 HE ARG 46 -3.857 7.457 -0.743 1454 1HH1 ARG 46 1HH1 ARG 46 -3.015 5.289 -3.370 1455 2HH1 ARG 46 2HH1 ARG 46 -1.330 5.729 -3.357 1456 1HH2 ARG 46 1HH2 ARG 46 -1.643 8.055 -0.756 1457 2HH2 ARG 46 2HH2 ARG 46 -0.581 7.324 -1.929 1458 H ASP 47 H ASP 47 -3.239 5.311 0.734 1459 HA ASP 47 HA ASP 47 -2.952 6.092 3.474 1460 1HB ASP 47 2HB ASP 47 -0.883 6.418 2.689 1461 2HB ASP 47 3HB ASP 47 -1.446 6.305 1.024 1462 HA PRO 48 HA PRO 48 -5.814 9.394 3.399 1463 1HB PRO 48 2HB PRO 48 -5.071 10.717 5.628 1464 2HB PRO 48 3HB PRO 48 -5.835 9.125 5.676 1465 1HG PRO 48 2HG PRO 48 -2.947 9.850 5.935 1466 2HG PRO 48 3HG PRO 48 -3.891 8.664 6.854 1467 1HD PRO 48 2HD PRO 48 -2.232 7.997 4.790 1468 2HD PRO 48 3HD PRO 48 -3.665 7.050 5.240 1469 H ASP 49 H ASP 49 -2.396 10.159 3.215 1470 HA ASP 49 HA ASP 49 -2.768 12.978 3.147 1471 1HB ASP 49 2HB ASP 49 -0.590 11.289 3.419 1472 2HB ASP 49 3HB ASP 49 -0.320 12.076 1.870 1473 H GLU 50 H GLU 50 -2.129 10.561 0.598 1474 HA GLU 50 HA GLU 50 -2.416 12.457 -1.535 1475 1HB GLU 50 2HB GLU 50 -1.668 9.762 -1.331 1476 2HB GLU 50 3HB GLU 50 -3.137 9.757 -2.296 1477 1HG GLU 50 2HG GLU 50 -2.162 10.815 -4.043 1478 2HG GLU 50 3HG GLU 50 -1.083 11.757 -3.015 1479 H LEU 51 H LEU 51 -4.561 10.529 0.391 1480 HA LEU 51 HA LEU 51 -6.925 10.714 -1.157 1481 1HB LEU 51 2HB LEU 51 -6.178 9.664 1.333 1482 2HB LEU 51 3HB LEU 51 -7.398 10.867 1.699 1483 HG LEU 51 HG LEU 51 -8.805 9.671 -0.119 1484 1HD1 LEU 51 1HD1 LEU 51 -6.444 8.068 -0.113 1485 2HD1 LEU 51 2HD1 LEU 51 -7.812 7.097 0.443 1486 3HD1 LEU 51 3HD1 LEU 51 -7.887 7.918 -1.118 1487 1HD2 LEU 51 1HD2 LEU 51 -8.295 9.006 2.694 1488 2HD2 LEU 51 2HD2 LEU 51 -9.809 9.372 1.868 1489 3HD2 LEU 51 3HD2 LEU 51 -9.120 7.750 1.772 1490 H LYS 52 H LYS 52 -5.505 12.740 1.353 1491 HA LYS 52 HA LYS 52 -7.495 14.707 1.549 1492 1HB LYS 52 2HB LYS 52 -4.565 14.598 2.124 1493 2HB LYS 52 3HB LYS 52 -5.354 16.166 2.113 1494 1HG LYS 52 2HG LYS 52 -6.510 15.758 4.020 1495 2HG LYS 52 3HG LYS 52 -6.619 14.024 3.716 1496 1HD LYS 52 2HD LYS 52 -5.164 14.490 5.624 1497 2HD LYS 52 3HD LYS 52 -4.254 13.768 4.296 1498 1HE LYS 52 2HE LYS 52 -3.819 16.289 3.665 1499 2HE LYS 52 3HE LYS 52 -4.174 16.548 5.373 1500 1HZ LYS 52 HZ1 LYS 52 -2.450 14.534 5.546 1501 2HZ LYS 52 HZ2 LYS 52 -1.874 15.263 4.125 1502 3HZ LYS 52 HZ3 LYS 52 -1.974 16.159 5.565 1503 H ALA 53 H ALA 53 -4.750 14.361 -0.620 1504 HA ALA 53 HA ALA 53 -5.043 16.993 -1.699 1505 1HB ALA 53 1HB ALA 53 -2.914 15.529 -1.417 1506 2HB ALA 53 2HB ALA 53 -3.370 14.896 -2.999 1507 3HB ALA 53 3HB ALA 53 -3.057 16.620 -2.796 1508 H MET 54 H MET 54 -5.545 13.736 -3.043 1509 HA MET 54 HA MET 54 -6.438 14.937 -5.536 1510 1HB MET 54 2HB MET 54 -6.316 11.979 -5.052 1511 2HB MET 54 3HB MET 54 -6.076 12.865 -6.550 1512 1HG MET 54 2HG MET 54 -4.145 13.466 -4.423 1513 2HG MET 54 3HG MET 54 -4.093 11.820 -5.048 1514 1HE MET 54 1HE MET 54 -1.945 13.751 -4.883 1515 2HE MET 54 2HE MET 54 -1.207 12.807 -6.179 1516 3HE MET 54 3HE MET 54 -1.392 14.554 -6.354 1517 H GLY 55 H GLY 55 -7.832 13.032 -2.931 1518 1HA GLY 55 1HA GLY 55 -10.234 13.675 -2.606 1519 2HA GLY 55 2HA GLY 55 -10.420 13.219 -4.289 1520 H LYS 56 H LYS 56 -11.965 12.090 -2.311 1521 HA LYS 56 HA LYS 56 -11.135 9.282 -2.493 1522 1HB LYS 56 2HB LYS 56 -12.455 9.374 -0.062 1523 2HB LYS 56 3HB LYS 56 -10.717 9.226 -0.277 1524 1HG LYS 56 2HG LYS 56 -10.401 11.162 0.740 1525 2HG LYS 56 3HG LYS 56 -11.433 11.983 -0.431 1526 1HD LYS 56 2HD LYS 56 -13.400 11.170 0.939 1527 2HD LYS 56 3HD LYS 56 -12.230 10.695 2.172 1528 1HE LYS 56 2HE LYS 56 -11.676 13.367 1.323 1529 2HE LYS 56 3HE LYS 56 -13.382 13.238 1.742 1530 1HZ LYS 56 HZ1 LYS 56 -11.135 12.387 3.492 1531 2HZ LYS 56 HZ2 LYS 56 -11.979 13.852 3.641 1532 3HZ LYS 56 HZ3 LYS 56 -12.786 12.379 3.895 1533 HA PRO 57 HA PRO 57 -15.235 8.628 -3.949 1534 1HB PRO 57 2HB PRO 57 -15.936 6.323 -2.560 1535 2HB PRO 57 3HB PRO 57 -15.055 6.378 -4.089 1536 1HG PRO 57 2HG PRO 57 -14.027 6.037 -1.309 1537 2HG PRO 57 3HG PRO 57 -13.444 5.314 -2.819 1538 1HD PRO 57 2HD PRO 57 -12.161 7.356 -1.614 1539 2HD PRO 57 3HD PRO 57 -12.212 7.188 -3.381 1540 H ASP 58 H ASP 58 -16.954 9.780 -3.398 1541 HA ASP 58 HA ASP 58 -17.745 9.950 -0.578 1542 1HB ASP 58 2HB ASP 58 -17.419 12.100 -1.683 1543 2HB ASP 58 3HB ASP 58 -18.547 11.645 -2.955 1544 H VAL 59 H VAL 59 -18.636 7.802 -0.630 1545 HA VAL 59 HA VAL 59 -21.229 7.691 -2.015 1546 HB VAL 59 HB VAL 59 -21.066 5.407 -2.325 1547 1HG1 VAL 59 1HG1 VAL 59 -18.927 6.908 -3.160 1548 2HG1 VAL 59 2HG1 VAL 59 -18.160 5.508 -2.413 1549 3HG1 VAL 59 3HG1 VAL 59 -19.328 5.282 -3.713 1550 1HG2 VAL 59 1HG2 VAL 59 -20.639 4.789 -0.006 1551 2HG2 VAL 59 2HG2 VAL 59 -19.586 3.895 -1.103 1552 3HG2 VAL 59 3HG2 VAL 59 -18.948 5.257 -0.184 1553 H LYS 60 H LYS 60 -22.921 6.462 -0.812 1554 HA LYS 60 HA LYS 60 -23.400 7.696 1.616 1555 1HB LYS 60 2HB LYS 60 -24.636 5.202 0.442 1556 2HB LYS 60 3HB LYS 60 -25.264 6.029 1.862 1557 1HG LYS 60 2HG LYS 60 -26.411 7.411 0.576 1558 2HG LYS 60 3HG LYS 60 -24.928 7.941 -0.220 1559 1HD LYS 60 2HD LYS 60 -25.450 6.823 -2.074 1560 2HD LYS 60 3HD LYS 60 -25.722 5.335 -1.165 1561 1HE LYS 60 2HE LYS 60 -27.851 5.577 -1.824 1562 2HE LYS 60 3HE LYS 60 -27.941 6.764 -0.525 1563 1HZ LYS 60 HZ1 LYS 60 -26.913 8.037 -2.799 1564 2HZ LYS 60 HZ2 LYS 60 -28.291 7.168 -3.276 1565 3HZ LYS 60 HZ3 LYS 60 -28.399 8.305 -2.024 1566 H ASN 61 H ASN 61 -22.177 4.448 0.983 1567 HA ASN 61 HA ASN 61 -21.592 4.202 3.855 1568 1HB ASN 61 2HB ASN 61 -21.760 1.706 3.462 1569 2HB ASN 61 3HB ASN 61 -23.271 2.601 3.377 1570 1HD2 ASN 61 1HD2 ASN 61 -23.613 0.377 2.314 1571 2HD2 ASN 61 2HD2 ASN 61 -23.455 0.341 0.591 1572 H TYR 62 H TYR 62 -19.632 5.376 3.052 1573 HA TYR 62 HA TYR 62 -17.646 3.478 2.004 1574 1HB TYR 62 HB2 TYR 62 -17.404 5.300 0.610 1575 2HB TYR 62 HB3 TYR 62 -17.923 6.447 1.838 1576 HD1 TYR 62 HD1 TYR 62 -15.144 3.952 1.783 1577 HD2 TYR 62 HD2 TYR 62 -16.261 8.041 2.090 1578 HE1 TYR 62 HE1 TYR 62 -12.810 4.534 2.223 1579 HE2 TYR 62 HE2 TYR 62 -13.916 8.654 2.519 1580 HH TYR 62 HH TYR 62 -11.310 6.457 2.062 1581 H LYS 63 H LYS 63 -16.206 2.657 3.391 1582 HA LYS 63 HA LYS 63 -15.683 4.157 5.863 1583 1HB LYS 63 2HB LYS 63 -15.679 1.143 5.660 1584 2HB LYS 63 3HB LYS 63 -15.507 2.123 7.106 1585 1HG LYS 63 2HG LYS 63 -17.853 3.009 6.365 1586 2HG LYS 63 3HG LYS 63 -17.938 1.432 5.587 1587 1HD LYS 63 2HD LYS 63 -16.902 1.288 8.298 1588 2HD LYS 63 3HD LYS 63 -18.510 2.008 8.236 1589 1HE LYS 63 2HE LYS 63 -18.639 -0.173 6.511 1590 2HE LYS 63 3HE LYS 63 -17.698 -0.746 7.887 1591 1HZ LYS 63 HZ1 LYS 63 -20.319 0.626 8.149 1592 2HZ LYS 63 HZ2 LYS 63 -20.144 -1.059 8.083 1593 3HZ LYS 63 HZ3 LYS 63 -19.453 -0.186 9.364 1594 H HIS 64 H HIS 64 -13.655 4.793 6.011 1595 HA HIS 64 HA HIS 64 -11.603 3.607 4.320 1596 1HB HIS 64 2HB HIS 64 -11.828 6.093 4.605 1597 2HB HIS 64 3HB HIS 64 -11.386 5.896 6.295 1598 HD1 HIS 64 HD1 HIS 64 -9.230 7.224 6.173 1599 HD2 HIS 64 HD2 HIS 64 -9.380 4.113 3.417 1600 HE1 HIS 64 HE1 HIS 64 -6.923 7.084 5.185 1601 HE2 HIS 64 HE2 HIS 64 -7.081 5.303 3.416 1602 H MET 65 H MET 65 -10.571 1.853 5.058 1603 HA MET 65 HA MET 65 -10.303 1.525 7.975 1604 1HB MET 65 2HB MET 65 -10.857 -0.285 5.762 1605 2HB MET 65 3HB MET 65 -9.539 -0.862 6.773 1606 1HG MET 65 2HG MET 65 -11.657 -1.760 7.521 1607 2HG MET 65 3HG MET 65 -10.964 -0.695 8.742 1608 1HE MET 65 1HE MET 65 -13.817 -1.882 7.129 1609 2HE MET 65 2HE MET 65 -15.053 -0.624 7.105 1610 3HE MET 65 3HE MET 65 -13.861 -0.717 5.809 1611 H SER 66 H SER 66 -8.444 2.780 8.315 1612 HA SER 66 HA SER 66 -6.113 2.103 6.697 1613 1HB SER 66 2HB SER 66 -5.691 4.378 8.386 1614 2HB SER 66 3HB SER 66 -5.795 4.312 6.626 1615 HG SER 66 HG SER 66 -7.883 4.696 8.506 1616 H ARG 67 H ARG 67 -4.896 0.612 7.542 1617 HA ARG 67 HA ARG 67 -3.625 1.175 10.072 1618 1HB ARG 67 2HB ARG 67 -5.584 -0.590 10.349 1619 2HB ARG 67 3HB ARG 67 -4.393 -1.691 9.674 1620 1HG ARG 67 2HG ARG 67 -4.543 -1.553 12.201 1621 2HG ARG 67 3HG ARG 67 -2.938 -1.419 11.481 1622 1HD ARG 67 2HD ARG 67 -3.344 1.125 11.586 1623 2HD ARG 67 3HD ARG 67 -4.643 0.724 12.712 1624 HE ARG 67 HE ARG 67 -1.770 0.228 13.128 1625 1HH1 ARG 67 1HH1 ARG 67 -5.022 0.575 14.394 1626 2HH1 ARG 67 2HH1 ARG 67 -4.542 0.335 16.052 1627 1HH2 ARG 67 1HH2 ARG 67 -1.134 -0.086 15.304 1628 2HH2 ARG 67 2HH2 ARG 67 -2.331 -0.037 16.567 1629 H GLY 68 H GLY 68 -2.672 -1.917 9.449 1630 1HA GLY 68 1HA GLY 68 -0.596 -1.039 7.589 1631 2HA GLY 68 2HA GLY 68 -0.679 -2.594 8.419 1632 H LYS 69 H LYS 69 -3.257 -3.328 7.913 1633 HA LYS 69 HA LYS 69 -3.853 -3.039 5.116 1634 1HB LYS 69 2HB LYS 69 -2.223 -5.168 5.729 1635 2HB LYS 69 3HB LYS 69 -3.824 -5.893 5.779 1636 1HG LYS 69 2HG LYS 69 -3.058 -6.180 3.576 1637 2HG LYS 69 3HG LYS 69 -4.223 -4.857 3.506 1638 1HD LYS 69 2HD LYS 69 -1.489 -3.967 4.010 1639 2HD LYS 69 3HD LYS 69 -1.675 -4.814 2.474 1640 1HE LYS 69 2HE LYS 69 -3.568 -3.307 1.930 1641 2HE LYS 69 3HE LYS 69 -3.246 -2.418 3.418 1642 1HZ LYS 69 HZ1 LYS 69 -0.949 -2.754 1.704 1643 2HZ LYS 69 HZ2 LYS 69 -2.185 -1.823 1.023 1644 3HZ LYS 69 HZ3 LYS 69 -1.502 -1.374 2.510 1645 H LEU 70 H LEU 70 -5.180 -2.170 7.304 1646 HA LEU 70 HA LEU 70 -7.275 -1.917 8.069 1647 1HB LEU 70 2HB LEU 70 -8.736 -2.127 6.428 1648 2HB LEU 70 3HB LEU 70 -7.502 -2.975 5.524 1649 HG LEU 70 HG LEU 70 -8.747 -4.912 7.173 1650 1HD1 LEU 70 1HD1 LEU 70 -10.519 -2.831 6.865 1651 2HD1 LEU 70 2HD1 LEU 70 -10.948 -3.922 5.548 1652 3HD1 LEU 70 3HD1 LEU 70 -10.940 -4.507 7.212 1653 1HD2 LEU 70 1HD2 LEU 70 -8.704 -4.277 4.251 1654 2HD2 LEU 70 2HD2 LEU 70 -7.892 -5.576 5.122 1655 3HD2 LEU 70 3HD2 LEU 70 -9.637 -5.635 4.877 1656 H GLU 71 H GLU 71 -5.689 -4.779 8.489 1657 HA GLU 71 HA GLU 71 -7.379 -6.657 9.387 1658 1HB GLU 71 2HB GLU 71 -5.150 -6.427 11.250 1659 2HB GLU 71 3HB GLU 71 -5.552 -7.714 10.124 1660 1HG GLU 71 2HG GLU 71 -3.624 -7.080 9.151 1661 2HG GLU 71 3HG GLU 71 -4.652 -5.865 8.393 1662 HA PRO 72 HA PRO 72 -7.780 -5.127 13.902 1663 1HB PRO 72 2HB PRO 72 -6.715 -2.410 14.072 1664 2HB PRO 72 3HB PRO 72 -6.316 -3.830 15.042 1665 1HG PRO 72 2HG PRO 72 -4.589 -2.773 13.269 1666 2HG PRO 72 3HG PRO 72 -4.660 -4.513 13.600 1667 1HD PRO 72 2HD PRO 72 -5.832 -2.973 11.309 1668 2HD PRO 72 3HD PRO 72 -4.959 -4.521 11.294 1669 H LEU 73 H LEU 73 -8.325 -2.937 11.285 1670 HA LEU 73 HA LEU 73 -10.378 -1.480 12.739 1671 1HB LEU 73 2HB LEU 73 -8.657 -0.866 10.614 1672 2HB LEU 73 3HB LEU 73 -10.256 -0.920 9.901 1673 HG LEU 73 HG LEU 73 -9.360 1.335 10.784 1674 1HD1 LEU 73 1HD1 LEU 73 -11.732 0.708 10.091 1675 2HD1 LEU 73 2HD1 LEU 73 -12.068 0.556 11.815 1676 3HD1 LEU 73 3HD1 LEU 73 -11.542 2.102 11.150 1677 1HD2 LEU 73 1HD2 LEU 73 -10.054 -0.084 13.339 1678 2HD2 LEU 73 2HD2 LEU 73 -8.578 0.794 12.930 1679 3HD2 LEU 73 3HD2 LEU 73 -10.082 1.674 13.199 1680 H LEU 74 H LEU 74 -10.069 -4.127 10.590 1681 HA LEU 74 HA LEU 74 -12.576 -4.118 9.329 1682 1HB LEU 74 2HB LEU 74 -10.662 -5.515 8.653 1683 2HB LEU 74 3HB LEU 74 -10.823 -6.451 10.124 1684 HG LEU 74 HG LEU 74 -13.236 -6.930 9.209 1685 1HD1 LEU 74 1HD1 LEU 74 -12.959 -5.344 7.307 1686 2HD1 LEU 74 2HD1 LEU 74 -11.739 -6.432 6.645 1687 3HD1 LEU 74 3HD1 LEU 74 -13.405 -6.981 6.828 1688 1HD2 LEU 74 1HD2 LEU 74 -10.976 -8.360 9.399 1689 2HD2 LEU 74 2HD2 LEU 74 -12.474 -8.993 8.711 1690 3HD2 LEU 74 3HD2 LEU 74 -11.200 -8.386 7.649 1691 H ALA 75 H ALA 75 -11.562 -5.068 12.501 1692 HA ALA 75 HA ALA 75 -13.900 -6.593 13.153 1693 1HB ALA 75 1HB ALA 75 -11.536 -5.594 14.679 1694 2HB ALA 75 2HB ALA 75 -12.933 -6.251 15.532 1695 3HB ALA 75 3HB ALA 75 -12.056 -7.250 14.373 1696 H LYS 76 H LYS 76 -12.920 -3.263 13.448 1697 HA LYS 76 HA LYS 76 -15.073 -2.683 15.304 1698 1HB LYS 76 2HB LYS 76 -13.345 -0.498 14.326 1699 2HB LYS 76 3HB LYS 76 -13.889 -0.866 15.957 1700 1HG LYS 76 2HG LYS 76 -12.189 -2.965 15.201 1701 2HG LYS 76 3HG LYS 76 -11.403 -1.473 14.696 1702 1HD LYS 76 2HD LYS 76 -12.532 -1.900 17.452 1703 2HD LYS 76 3HD LYS 76 -10.858 -2.255 17.026 1704 1HE LYS 76 2HE LYS 76 -10.275 -0.088 17.019 1705 2HE LYS 76 3HE LYS 76 -11.767 0.408 16.218 1706 1HZ LYS 76 HZ1 LYS 76 -12.380 -0.434 18.825 1707 2HZ LYS 76 HZ2 LYS 76 -11.089 0.666 18.911 1708 3HZ LYS 76 HZ3 LYS 76 -12.532 1.116 18.151 1709 H SER 77 H SER 77 -14.757 -2.677 11.977 1710 HA SER 77 HA SER 77 -16.129 -0.242 11.410 1711 1HB SER 77 2HB SER 77 -16.421 -1.977 9.214 1712 2HB SER 77 3HB SER 77 -15.221 -0.701 9.420 1713 HG SER 77 HG SER 77 -13.799 -2.178 10.265 1714 H GLY 78 H GLY 78 -17.133 -3.504 12.104 1715 1HA GLY 78 1HA GLY 78 -19.346 -4.101 12.705 1716 2HA GLY 78 2HA GLY 78 -19.929 -2.660 11.879 1717 H LEU 79 H LEU 79 -17.836 -5.348 10.899 1718 HA LEU 79 HA LEU 79 -19.530 -5.672 8.527 1719 1HB LEU 79 2HB LEU 79 -16.632 -6.403 8.970 1720 2HB LEU 79 3HB LEU 79 -17.537 -6.751 7.508 1721 HG LEU 79 HG LEU 79 -17.147 -3.944 8.527 1722 1HD1 LEU 79 1HD1 LEU 79 -15.022 -5.394 7.931 1723 2HD1 LEU 79 2HD1 LEU 79 -15.520 -5.007 6.283 1724 3HD1 LEU 79 3HD1 LEU 79 -15.168 -3.710 7.424 1725 1HD2 LEU 79 1HD2 LEU 79 -18.941 -4.687 6.789 1726 2HD2 LEU 79 2HD2 LEU 79 -17.971 -3.243 6.497 1727 3HD2 LEU 79 3HD2 LEU 79 -17.566 -4.756 5.688 1728 H ASP 80 H ASP 80 -20.259 -7.662 7.952 1729 HA ASP 80 HA ASP 80 -19.636 -9.944 9.684 1730 1HB ASP 80 2HB ASP 80 -21.848 -8.717 10.288 1731 2HB ASP 80 3HB ASP 80 -22.465 -9.405 8.791 1732 HA PRO 81 HA PRO 81 -18.928 -11.922 5.823 1733 1HB PRO 81 2HB PRO 81 -19.883 -14.385 7.186 1734 2HB PRO 81 3HB PRO 81 -18.348 -14.071 6.363 1735 1HG PRO 81 2HG PRO 81 -18.470 -14.160 9.015 1736 2HG PRO 81 3HG PRO 81 -17.448 -12.966 8.194 1737 1HD PRO 81 2HD PRO 81 -20.107 -12.604 9.506 1738 2HD PRO 81 3HD PRO 81 -18.694 -11.525 9.495 1739 H GLU 82 H GLU 82 -21.915 -11.160 6.650 1740 HA GLU 82 HA GLU 82 -23.203 -12.891 4.650 1741 1HB GLU 82 2HB GLU 82 -25.343 -12.052 5.637 1742 2HB GLU 82 3HB GLU 82 -24.369 -12.986 6.765 1743 1HG GLU 82 2HG GLU 82 -24.169 -11.277 8.168 1744 2HG GLU 82 3HG GLU 82 -23.756 -10.157 6.873 1745 H LYS 83 H LYS 83 -21.791 -9.922 5.114 1746 HA LYS 83 HA LYS 83 -23.613 -8.509 3.317 1747 1HB LYS 83 2HB LYS 83 -21.298 -7.366 4.880 1748 2HB LYS 83 3HB LYS 83 -22.593 -6.475 4.093 1749 1HG LYS 83 2HG LYS 83 -24.103 -7.872 5.728 1750 2HG LYS 83 3HG LYS 83 -22.603 -7.986 6.652 1751 1HD LYS 83 2HD LYS 83 -22.436 -5.617 6.823 1752 2HD LYS 83 3HD LYS 83 -23.740 -5.380 5.657 1753 1HE LYS 83 2HE LYS 83 -24.053 -6.698 8.350 1754 2HE LYS 83 3HE LYS 83 -24.438 -5.013 8.007 1755 1HZ LYS 83 HZ1 LYS 83 -25.956 -5.956 6.211 1756 2HZ LYS 83 HZ2 LYS 83 -25.784 -7.451 7.008 1757 3HZ LYS 83 HZ3 LYS 83 -26.454 -6.121 7.827 1758 HA PRO 84 HA PRO 84 -20.501 -8.637 0.118 1759 1HB PRO 84 2HB PRO 84 -21.817 -6.739 -1.474 1760 2HB PRO 84 3HB PRO 84 -22.040 -8.487 -1.536 1761 1HG PRO 84 2HG PRO 84 -23.937 -6.569 -0.713 1762 2HG PRO 84 3HG PRO 84 -24.067 -8.328 -0.557 1763 1HD PRO 84 2HD PRO 84 -23.301 -6.294 1.468 1764 2HD PRO 84 3HD PRO 84 -24.103 -7.868 1.679 1765 H VAL 85 H VAL 85 -18.708 -7.467 -0.356 1766 HA VAL 85 HA VAL 85 -18.672 -4.606 0.282 1767 HB VAL 85 HB VAL 85 -16.259 -5.176 1.223 1768 1HG1 VAL 85 1HG1 VAL 85 -18.660 -4.394 2.313 1769 2HG1 VAL 85 2HG1 VAL 85 -18.192 -5.774 3.306 1770 3HG1 VAL 85 3HG1 VAL 85 -17.100 -4.400 3.134 1771 1HG2 VAL 85 1HG2 VAL 85 -17.844 -7.661 1.862 1772 2HG2 VAL 85 2HG2 VAL 85 -16.387 -7.569 0.869 1773 3HG2 VAL 85 3HG2 VAL 85 -16.301 -7.213 2.596 1774 H VAL 86 H VAL 86 -17.146 -3.412 -0.867 1775 HA VAL 86 HA VAL 86 -15.589 -4.917 -2.851 1776 HB VAL 86 HB VAL 86 -17.339 -3.962 -4.140 1777 1HG1 VAL 86 1HG1 VAL 86 -17.003 -1.618 -2.351 1778 2HG1 VAL 86 2HG1 VAL 86 -17.589 -1.349 -3.993 1779 3HG1 VAL 86 3HG1 VAL 86 -18.472 -2.422 -2.908 1780 1HG2 VAL 86 1HG2 VAL 86 -15.116 -3.649 -5.111 1781 2HG2 VAL 86 2HG2 VAL 86 -16.216 -2.351 -5.578 1782 3HG2 VAL 86 3HG2 VAL 86 -14.999 -2.070 -4.332 1783 H VAL 87 H VAL 87 -13.513 -4.214 -3.151 1784 HA VAL 87 HA VAL 87 -12.602 -2.190 -1.226 1785 HB VAL 87 HB VAL 87 -10.320 -3.273 -1.600 1786 1HG1 VAL 87 1HG1 VAL 87 -12.638 -4.374 -0.130 1787 2HG1 VAL 87 2HG1 VAL 87 -11.199 -5.392 -0.230 1788 3HG1 VAL 87 3HG1 VAL 87 -11.090 -3.775 0.469 1789 1HG2 VAL 87 1HG2 VAL 87 -11.837 -4.801 -3.469 1790 2HG2 VAL 87 2HG2 VAL 87 -10.114 -4.890 -3.109 1791 3HG2 VAL 87 3HG2 VAL 87 -11.255 -5.879 -2.199 1792 H PHE 88 H PHE 88 -11.820 -0.331 -1.943 1793 HA PHE 88 HA PHE 88 -11.361 -0.032 -4.824 1794 1HB PHE 88 2HB PHE 88 -12.959 1.468 -3.402 1795 2HB PHE 88 3HB PHE 88 -11.474 2.257 -2.877 1796 HD1 PHE 88 HD1 PHE 88 -12.576 0.942 -6.194 1797 HD2 PHE 88 HD2 PHE 88 -11.342 4.324 -3.911 1798 HE1 PHE 88 HE1 PHE 88 -12.540 2.311 -8.232 1799 HE2 PHE 88 HE2 PHE 88 -11.306 5.686 -5.947 1800 HZ PHE 88 HZ PHE 88 -11.905 4.681 -8.109 1801 H CYS 89 H CYS 89 -9.493 1.023 -5.642 1802 HA CYS 89 HA CYS 89 -7.344 1.652 -5.771 1803 1HB CYS 89 2HB CYS 89 -8.003 2.597 -3.270 1804 2HB CYS 89 3HB CYS 89 -6.599 1.582 -2.947 1805 H LYS 90 H LYS 90 -7.422 -0.629 -6.575 1806 HA LYS 90 HA LYS 90 -6.076 -2.601 -4.931 1807 1HB LYS 90 2HB LYS 90 -6.292 -4.050 -6.920 1808 2HB LYS 90 3HB LYS 90 -7.830 -3.352 -6.433 1809 1HG LYS 90 2HG LYS 90 -8.114 -2.612 -8.497 1810 2HG LYS 90 3HG LYS 90 -6.701 -1.573 -8.298 1811 1HD LYS 90 2HD LYS 90 -5.248 -3.278 -9.145 1812 2HD LYS 90 3HD LYS 90 -6.557 -4.462 -9.147 1813 1HE LYS 90 2HE LYS 90 -6.637 -3.890 -11.340 1814 2HE LYS 90 3HE LYS 90 -7.676 -2.614 -10.709 1815 1HZ LYS 90 HZ1 LYS 90 -4.759 -2.220 -11.006 1816 2HZ LYS 90 HZ2 LYS 90 -5.823 -1.954 -12.300 1817 3HZ LYS 90 HZ3 LYS 90 -5.977 -1.046 -10.877 1818 H THR 91 H THR 91 -5.048 0.017 -6.619 1819 HA THR 91 HA THR 91 -2.878 -1.090 -8.080 1820 HB THR 91 HB THR 91 -2.508 1.704 -7.513 1821 HG1 THR 91 HG1 THR 91 -4.568 2.416 -8.271 1822 1HG2 THR 91 1HG2 THR 91 -2.544 -0.099 -9.717 1823 2HG2 THR 91 2HG2 THR 91 -3.622 1.247 -10.092 1824 3HG2 THR 91 3HG2 THR 91 -1.938 1.556 -9.666 1825 H ALA 92 H ALA 92 -1.827 1.640 -6.369 1826 HA ALA 92 HA ALA 92 0.487 0.370 -5.450 1827 1HB ALA 92 1HB ALA 92 -0.281 2.955 -5.815 1828 2HB ALA 92 2HB ALA 92 -0.193 2.852 -4.057 1829 3HB ALA 92 3HB ALA 92 1.215 2.444 -5.036 1830 H ALA 93 H ALA 93 -2.383 1.431 -3.655 1831 HA ALA 93 HA ALA 93 -1.406 0.612 -1.116 1832 1HB ALA 93 1HB ALA 93 -4.225 1.142 -2.039 1833 2HB ALA 93 2HB ALA 93 -3.722 0.946 -0.360 1834 3HB ALA 93 3HB ALA 93 -3.123 2.309 -1.307 1835 H ARG 94 H ARG 94 -3.055 -0.961 -3.698 1836 HA ARG 94 HA ARG 94 -3.635 -3.095 -4.134 1837 1HB ARG 94 2HB ARG 94 -1.210 -3.261 -3.004 1838 2HB ARG 94 3HB ARG 94 -2.126 -4.207 -1.839 1839 1HG ARG 94 2HG ARG 94 -1.767 -5.929 -3.200 1840 2HG ARG 94 3HG ARG 94 -2.997 -5.207 -4.238 1841 1HD ARG 94 2HD ARG 94 -0.330 -4.061 -4.588 1842 2HD ARG 94 3HD ARG 94 -0.423 -5.778 -4.978 1843 HE ARG 94 HE ARG 94 -1.843 -3.593 -6.320 1844 1HH1 ARG 94 1HH1 ARG 94 -1.138 -7.008 -6.073 1845 2HH1 ARG 94 2HH1 ARG 94 -1.716 -7.390 -7.660 1846 1HH2 ARG 94 1HH2 ARG 94 -2.615 -4.071 -8.428 1847 2HH2 ARG 94 2HH2 ARG 94 -2.549 -5.701 -9.009 1848 H ALA 95 H ALA 95 -5.762 -2.339 -3.316 1849 HA ALA 95 HA ALA 95 -6.742 -3.120 -0.771 1850 1HB ALA 95 1HB ALA 95 -7.759 -1.472 -2.470 1851 2HB ALA 95 2HB ALA 95 -8.468 -2.907 -3.211 1852 3HB ALA 95 3HB ALA 95 -8.848 -2.498 -1.539 1853 H ALA 96 H ALA 96 -5.828 -4.927 -3.447 1854 HA ALA 96 HA ALA 96 -7.633 -7.051 -3.508 1855 1HB ALA 96 1HB ALA 96 -5.325 -6.420 -4.824 1856 2HB ALA 96 2HB ALA 96 -4.831 -7.813 -3.860 1857 3HB ALA 96 3HB ALA 96 -6.195 -7.947 -4.972 1858 H LEU 97 H LEU 97 -5.015 -6.311 -1.291 1859 HA LEU 97 HA LEU 97 -4.978 -8.874 -0.012 1860 1HB LEU 97 2HB LEU 97 -3.658 -6.293 0.342 1861 2HB LEU 97 3HB LEU 97 -4.048 -7.073 1.868 1862 HG LEU 97 HG LEU 97 -1.751 -7.558 1.014 1863 1HD1 LEU 97 1HD1 LEU 97 -3.621 -9.902 1.315 1864 2HD1 LEU 97 2HD1 LEU 97 -1.863 -9.972 1.453 1865 3HD1 LEU 97 3HD1 LEU 97 -2.801 -9.032 2.614 1866 1HD2 LEU 97 1HD2 LEU 97 -3.256 -8.273 -1.346 1867 2HD2 LEU 97 2HD2 LEU 97 -1.520 -8.025 -1.146 1868 3HD2 LEU 97 3HD2 LEU 97 -2.230 -9.603 -0.806 1869 H ALA 98 H ALA 98 -6.844 -5.980 0.312 1870 HA ALA 98 HA ALA 98 -7.857 -6.526 2.919 1871 1HB ALA 98 1HB ALA 98 -7.779 -4.265 1.942 1872 2HB ALA 98 2HB ALA 98 -8.997 -4.752 0.763 1873 3HB ALA 98 3HB ALA 98 -9.398 -4.711 2.480 1874 H GLY 99 H GLY 99 -9.063 -6.982 -0.370 1875 1HA GLY 99 1HA GLY 99 -11.534 -8.111 0.602 1876 2HA GLY 99 2HA GLY 99 -11.084 -7.870 -1.077 1877 H LYS 100 H LYS 100 -8.668 -9.363 -1.098 1878 HA LYS 100 HA LYS 100 -9.810 -11.865 -1.629 1879 1HB LYS 100 2HB LYS 100 -7.868 -12.359 -2.675 1880 2HB LYS 100 3HB LYS 100 -7.580 -10.636 -2.478 1881 1HG LYS 100 2HG LYS 100 -5.794 -11.008 -1.215 1882 2HG LYS 100 3HG LYS 100 -6.683 -12.111 -0.161 1883 1HD LYS 100 2HD LYS 100 -6.309 -13.499 -2.562 1884 2HD LYS 100 3HD LYS 100 -4.770 -12.700 -2.234 1885 1HE LYS 100 2HE LYS 100 -4.298 -14.132 -0.596 1886 2HE LYS 100 3HE LYS 100 -5.863 -13.856 0.169 1887 1HZ LYS 100 HZ1 LYS 100 -6.626 -15.387 -1.834 1888 2HZ LYS 100 HZ2 LYS 100 -5.043 -15.968 -1.669 1889 3HZ LYS 100 HZ3 LYS 100 -6.109 -16.029 -0.354 1890 H THR 101 H THR 101 -8.204 -10.641 1.202 1891 HA THR 101 HA THR 101 -7.803 -13.193 2.432 1892 HB THR 101 HB THR 101 -7.996 -10.537 3.854 1893 HG1 THR 101 HG1 THR 101 -6.291 -10.015 2.707 1894 1HG2 THR 101 1HG2 THR 101 -7.872 -12.779 5.114 1895 2HG2 THR 101 2HG2 THR 101 -6.216 -12.868 4.517 1896 3HG2 THR 101 3HG2 THR 101 -6.711 -11.527 5.548 1897 H LEU 102 H LEU 102 -10.360 -10.785 2.418 1898 HA LEU 102 HA LEU 102 -11.802 -11.786 4.606 1899 1HB LEU 102 2HB LEU 102 -12.343 -9.925 2.375 1900 2HB LEU 102 3HB LEU 102 -13.739 -10.592 3.203 1901 HG LEU 102 HG LEU 102 -11.506 -9.000 4.463 1902 1HD1 LEU 102 1HD1 LEU 102 -14.301 -8.380 3.618 1903 2HD1 LEU 102 2HD1 LEU 102 -13.595 -7.544 5.002 1904 3HD1 LEU 102 3HD1 LEU 102 -12.827 -7.431 3.418 1905 1HD2 LEU 102 1HD2 LEU 102 -12.630 -10.922 5.806 1906 2HD2 LEU 102 2HD2 LEU 102 -12.453 -9.330 6.541 1907 3HD2 LEU 102 3HD2 LEU 102 -14.009 -9.824 5.872 1908 H ARG 103 H ARG 103 -11.961 -12.603 1.161 1909 HA ARG 103 HA ARG 103 -14.325 -14.166 1.381 1910 1HB ARG 103 2HB ARG 103 -13.344 -15.285 -0.771 1911 2HB ARG 103 3HB ARG 103 -13.950 -13.639 -0.818 1912 1HG ARG 103 2HG ARG 103 -11.986 -12.855 -1.452 1913 2HG ARG 103 3HG ARG 103 -11.147 -13.691 -0.149 1914 1HD ARG 103 2HD ARG 103 -12.084 -15.354 -2.390 1915 2HD ARG 103 3HD ARG 103 -10.787 -14.222 -2.746 1916 HE ARG 103 HE ARG 103 -9.499 -15.293 -0.966 1917 1HH1 ARG 103 1HH1 ARG 103 -12.216 -17.036 -2.300 1918 2HH1 ARG 103 2HH1 ARG 103 -11.594 -18.603 -1.881 1919 1HH2 ARG 103 1HH2 ARG 103 -8.658 -17.346 -0.400 1920 2HH2 ARG 103 2HH2 ARG 103 -9.581 -18.778 -0.773 1921 H GLU 104 H GLU 104 -11.029 -14.756 2.139 1922 HA GLU 104 HA GLU 104 -11.118 -17.611 2.239 1923 1HB GLU 104 2HB GLU 104 -9.324 -15.931 3.960 1924 2HB GLU 104 3HB GLU 104 -9.012 -17.512 3.258 1925 1HG GLU 104 2HG GLU 104 -9.365 -16.002 1.035 1926 2HG GLU 104 3HG GLU 104 -8.634 -14.839 2.141 1927 H TYR 105 H TYR 105 -12.718 -15.307 4.016 1928 HA TYR 105 HA TYR 105 -12.845 -17.057 6.376 1929 1HB TYR 105 HB2 TYR 105 -13.559 -14.122 6.217 1930 2HB TYR 105 HB3 TYR 105 -13.562 -15.122 7.668 1931 HD1 TYR 105 HD1 TYR 105 -11.030 -16.633 7.253 1932 HD2 TYR 105 HD2 TYR 105 -11.911 -12.506 6.713 1933 HE1 TYR 105 HE1 TYR 105 -8.663 -16.088 7.632 1934 HE2 TYR 105 HE2 TYR 105 -9.544 -11.950 7.090 1935 HH TYR 105 HH TYR 105 -7.567 -13.040 8.293 1936 H GLY 106 H GLY 106 -14.494 -16.031 3.634 1937 1HA GLY 106 1HA GLY 106 -16.462 -17.118 2.943 1938 2HA GLY 106 2HA GLY 106 -16.869 -17.398 4.627 1939 H PHE 107 H PHE 107 -16.321 -14.584 2.508 1940 HA PHE 107 HA PHE 107 -18.552 -13.232 3.814 1941 1HB PHE 107 2HB PHE 107 -16.177 -12.383 2.318 1942 2HB PHE 107 3HB PHE 107 -17.641 -11.501 1.892 1943 HD1 PHE 107 HD1 PHE 107 -15.915 -12.730 4.969 1944 HD2 PHE 107 HD2 PHE 107 -18.061 -9.583 3.074 1945 HE1 PHE 107 HE1 PHE 107 -15.679 -11.351 6.996 1946 HE2 PHE 107 HE2 PHE 107 -17.824 -8.198 5.094 1947 HZ PHE 107 HZ PHE 107 -16.632 -9.083 7.058 1948 H LYS 108 H LYS 108 -20.207 -12.217 2.510 1949 HA LYS 108 HA LYS 108 -21.476 -14.038 0.829 1950 1HB LYS 108 2HB LYS 108 -22.536 -12.188 2.181 1951 2HB LYS 108 3HB LYS 108 -22.025 -11.070 0.925 1952 1HG LYS 108 2HG LYS 108 -23.322 -12.871 -0.583 1953 2HG LYS 108 3HG LYS 108 -24.210 -13.053 0.931 1954 1HD LYS 108 2HD LYS 108 -24.608 -10.624 0.969 1955 2HD LYS 108 3HD LYS 108 -23.749 -10.469 -0.565 1956 1HE LYS 108 2HE LYS 108 -25.946 -12.434 -0.520 1957 2HE LYS 108 3HE LYS 108 -26.429 -10.747 -0.343 1958 1HZ LYS 108 HZ1 LYS 108 -24.980 -10.338 -2.375 1959 2HZ LYS 108 HZ2 LYS 108 -24.997 -12.018 -2.596 1960 3HZ LYS 108 HZ3 LYS 108 -26.450 -11.144 -2.627 1961 H THR 109 H THR 109 -20.476 -10.784 -0.202 1962 HA THR 109 HA THR 109 -19.420 -11.935 -2.671 1963 HB THR 109 HB THR 109 -20.849 -9.458 -3.216 1964 HG1 THR 109 HG1 THR 109 -22.489 -11.728 -2.706 1965 1HG2 THR 109 1HG2 THR 109 -19.851 -11.225 -4.799 1966 2HG2 THR 109 2HG2 THR 109 -21.316 -12.149 -4.464 1967 3HG2 THR 109 3HG2 THR 109 -21.430 -10.552 -5.203 1968 H ILE 110 H ILE 110 -17.377 -11.261 -2.752 1969 HA ILE 110 HA ILE 110 -16.825 -8.528 -1.808 1970 HB ILE 110 HB ILE 110 -15.786 -10.468 -0.543 1971 1HG1 ILE 110 2HG1 ILE 110 -13.493 -8.869 -1.405 1972 2HG1 ILE 110 3HG1 ILE 110 -14.927 -7.918 -1.021 1973 1HG2 ILE 110 1HG2 ILE 110 -14.718 -11.036 -3.161 1974 2HG2 ILE 110 2HG2 ILE 110 -13.424 -10.811 -1.982 1975 3HG2 ILE 110 3HG2 ILE 110 -14.682 -12.014 -1.693 1976 1HD1 ILE 110 1HD1 ILE 110 -14.040 -10.046 0.862 1977 2HD1 ILE 110 2HD1 ILE 110 -13.192 -8.499 0.825 1978 3HD1 ILE 110 3HD1 ILE 110 -14.917 -8.548 1.180 1979 H TYR 111 H TYR 111 -16.218 -7.082 -3.249 1980 HA TYR 111 HA TYR 111 -15.313 -8.042 -5.882 1981 1HB TYR 111 HB2 TYR 111 -16.463 -5.303 -5.434 1982 2HB TYR 111 HB3 TYR 111 -16.423 -6.255 -6.909 1983 HD1 TYR 111 HD1 TYR 111 -18.110 -5.883 -3.633 1984 HD2 TYR 111 HD2 TYR 111 -18.228 -7.680 -7.492 1985 HE1 TYR 111 HE1 TYR 111 -20.439 -6.569 -3.233 1986 HE2 TYR 111 HE2 TYR 111 -20.559 -8.369 -7.102 1987 HH TYR 111 HH TYR 111 -22.444 -7.812 -5.762 1988 H ASN 112 H ASN 112 -13.626 -6.991 -6.907 1989 HA ASN 112 HA ASN 112 -12.076 -5.096 -5.254 1990 1HB ASN 112 2HB ASN 112 -11.026 -7.392 -5.926 1991 2HB ASN 112 3HB ASN 112 -10.892 -6.674 -7.528 1992 1HD2 ASN 112 1HD2 ASN 112 -8.752 -7.532 -5.871 1993 2HD2 ASN 112 2HD2 ASN 112 -7.788 -6.141 -5.512 1994 H SER 113 H SER 113 -11.568 -3.154 -6.191 1995 HA SER 113 HA SER 113 -13.162 -2.508 -8.503 1996 1HB SER 113 2HB SER 113 -11.399 -0.664 -6.899 1997 2HB SER 113 3HB SER 113 -12.758 -0.222 -7.935 1998 HG SER 113 HG SER 113 -12.841 -1.665 -5.491 1999 H GLU 114 H GLU 114 -12.407 -2.808 -10.456 2000 HA GLU 114 HA GLU 114 -9.677 -2.983 -11.167 2001 1HB GLU 114 2HB GLU 114 -12.249 -3.053 -12.547 2002 2HB GLU 114 3HB GLU 114 -10.990 -2.276 -13.498 2003 1HG GLU 114 2HG GLU 114 -10.723 -4.993 -12.238 2004 2HG GLU 114 3HG GLU 114 -11.246 -4.717 -13.897 2005 H GLY 115 H GLY 115 -8.350 -1.515 -12.268 2006 1HA GLY 115 1HA GLY 115 -7.657 0.602 -12.979 2007 2HA GLY 115 2HA GLY 115 -9.210 1.260 -12.478 2008 H GLY 116 H GLY 116 -9.298 2.333 -10.628 2009 1HA GLY 116 1HA GLY 116 -8.229 1.764 -8.208 2010 2HA GLY 116 2HA GLY 116 -6.923 2.621 -9.020 2011 H MET 117 H MET 117 -7.150 4.276 -7.387 2012 HA MET 117 HA MET 117 -9.501 5.788 -7.001 2013 1HB MET 117 2HB MET 117 -7.650 5.942 -5.441 2014 2HB MET 117 3HB MET 117 -6.589 6.554 -6.701 2015 1HG MET 117 2HG MET 117 -8.897 8.233 -6.498 2016 2HG MET 117 3HG MET 117 -8.181 8.013 -4.904 2017 1HE MET 117 1HE MET 117 -5.357 7.680 -5.117 2018 2HE MET 117 2HE MET 117 -4.504 9.176 -5.495 2019 3HE MET 117 3HE MET 117 -5.716 9.156 -4.218 2020 H ASP 118 H ASP 118 -6.951 5.900 -9.376 2021 HA ASP 118 HA ASP 118 -7.486 8.395 -10.518 2022 1HB ASP 118 2HB ASP 118 -5.808 7.847 -11.915 2023 2HB ASP 118 3HB ASP 118 -5.641 6.397 -10.933 2024 H LYS 119 H LYS 119 -9.006 5.238 -10.999 2025 HA LYS 119 HA LYS 119 -10.469 6.009 -13.309 2026 1HB LYS 119 2HB LYS 119 -10.163 3.654 -11.647 2027 2HB LYS 119 3HB LYS 119 -11.847 3.916 -12.081 2028 1HG LYS 119 2HG LYS 119 -10.755 2.460 -13.680 2029 2HG LYS 119 3HG LYS 119 -11.231 3.978 -14.444 2030 1HD LYS 119 2HD LYS 119 -8.659 4.461 -13.506 2031 2HD LYS 119 3HD LYS 119 -8.597 2.807 -14.127 2032 1HE LYS 119 2HE LYS 119 -8.380 3.671 -16.166 2033 2HE LYS 119 3HE LYS 119 -10.052 4.208 -16.035 2034 1HZ LYS 119 HZ1 LYS 119 -8.270 6.007 -14.717 2035 2HZ LYS 119 HZ2 LYS 119 -7.835 5.798 -16.338 2036 3HZ LYS 119 HZ3 LYS 119 -9.400 6.316 -15.949 2037 H TRP 120 H TRP 120 -11.043 6.170 -9.854 2038 HA TRP 120 HA TRP 120 -13.830 6.614 -9.979 2039 1HB TRP 120 HB2 TRP 120 -12.305 6.083 -7.928 2040 2HB TRP 120 HB3 TRP 120 -12.112 7.831 -7.838 2041 HD1 TRP 120 HD1 TRP 120 -14.083 9.218 -6.882 2042 HE1 TRP 120 HE1 TRP 120 -16.351 8.638 -5.817 2043 HE3 TRP 120 HE3 TRP 120 -14.252 4.229 -7.992 2044 HZ2 TRP 120 HZ2 TRP 120 -17.973 6.371 -5.461 2045 HZ3 TRP 120 HZ3 TRP 120 -16.200 2.923 -7.234 2046 HH2 TRP 120 HH2 TRP 120 -18.018 3.977 -5.995 2047 H LEU 121 H LEU 121 -11.115 8.960 -9.614 2048 HA LEU 121 HA LEU 121 -12.706 11.247 -9.835 2049 1HB LEU 121 2HB LEU 121 -9.789 10.690 -10.315 2050 2HB LEU 121 3HB LEU 121 -10.462 12.285 -10.574 2051 HG LEU 121 HG LEU 121 -10.564 10.822 -7.927 2052 1HD1 LEU 121 1HD1 LEU 121 -8.262 11.315 -8.596 2053 2HD1 LEU 121 2HD1 LEU 121 -8.698 13.007 -8.832 2054 3HD1 LEU 121 3HD1 LEU 121 -8.774 12.294 -7.221 2055 1HD2 LEU 121 1HD2 LEU 121 -11.643 13.364 -8.938 2056 2HD2 LEU 121 2HD2 LEU 121 -12.165 12.363 -7.584 2057 3HD2 LEU 121 3HD2 LEU 121 -10.798 13.461 -7.394 2058 H GLU 122 H GLU 122 -10.928 9.384 -12.271 2059 HA GLU 122 HA GLU 122 -11.277 11.128 -14.428 2060 1HB GLU 122 2HB GLU 122 -10.198 8.530 -13.983 2061 2HB GLU 122 3HB GLU 122 -11.236 8.455 -15.399 2062 1HG GLU 122 2HG GLU 122 -9.959 10.572 -16.149 2063 2HG GLU 122 3HG GLU 122 -8.764 10.065 -14.956 2064 H GLU 123 H GLU 123 -13.375 8.634 -13.161 2065 HA GLU 123 HA GLU 123 -15.115 8.685 -15.460 2066 1HB GLU 123 2HB GLU 123 -14.623 6.856 -13.455 2067 2HB GLU 123 3HB GLU 123 -16.217 7.474 -13.040 2068 1HG GLU 123 2HG GLU 123 -16.658 5.647 -14.393 2069 2HG GLU 123 3HG GLU 123 -16.821 7.025 -15.481 2070 H GLY 124 H GLY 124 -14.667 10.751 -12.944 2071 1HA GLY 124 1HA GLY 124 -15.880 12.560 -12.198 2072 2HA GLY 124 2HA GLY 124 -17.049 12.216 -13.466 2073 H LEU 125 H LEU 125 -16.149 9.821 -11.136 2074 HA LEU 125 HA LEU 125 -18.851 9.443 -10.311 2075 1HB LEU 125 2HB LEU 125 -16.217 8.293 -9.405 2076 2HB LEU 125 3HB LEU 125 -17.737 7.852 -8.652 2077 HG LEU 125 HG LEU 125 -17.189 7.481 -11.593 2078 1HD1 LEU 125 1HD1 LEU 125 -16.246 5.980 -9.304 2079 2HD1 LEU 125 2HD1 LEU 125 -17.218 4.994 -10.400 2080 3HD1 LEU 125 3HD1 LEU 125 -15.800 5.851 -11.006 2081 1HD2 LEU 125 1HD2 LEU 125 -19.573 7.597 -10.660 2082 2HD2 LEU 125 2HD2 LEU 125 -19.145 6.191 -11.635 2083 3HD2 LEU 125 3HD2 LEU 125 -19.204 6.059 -9.877 2084 HA PRO 126 HA PRO 126 -19.264 11.998 -6.719 2085 1HB PRO 126 2HB PRO 126 -19.986 10.188 -4.772 2086 2HB PRO 126 3HB PRO 126 -21.103 10.851 -5.972 2087 1HG PRO 126 2HG PRO 126 -19.604 8.252 -6.010 2088 2HG PRO 126 3HG PRO 126 -21.309 8.566 -6.405 2089 1HD PRO 126 2HD PRO 126 -19.528 8.271 -8.347 2090 2HD PRO 126 3HD PRO 126 -20.772 9.535 -8.468 2091 H SER 127 H SER 127 -17.316 12.777 -6.068 2092 HA SER 127 HA SER 127 -15.778 11.077 -4.232 2093 1HB SER 127 2HB SER 127 -13.910 12.787 -5.386 2094 2HB SER 127 3HB SER 127 -14.113 11.073 -5.752 2095 HG SER 127 HG SER 127 -15.739 11.826 -7.338 2096 H LEU 128 H LEU 128 -14.700 12.186 -2.563 2097 HA LEU 128 HA LEU 128 -15.699 14.904 -2.066 2098 1HB LEU 128 2HB LEU 128 -15.208 12.576 -0.365 2099 2HB LEU 128 3HB LEU 128 -14.438 14.029 0.240 2100 HG LEU 128 HG LEU 128 -17.368 13.896 -0.449 2101 1HD1 LEU 128 1HD1 LEU 128 -15.928 12.807 1.820 2102 2HD1 LEU 128 2HD1 LEU 128 -17.129 14.007 2.301 2103 3HD1 LEU 128 3HD1 LEU 128 -17.616 12.604 1.346 2104 1HD2 LEU 128 1HD2 LEU 128 -15.617 16.016 0.158 2105 2HD2 LEU 128 2HD2 LEU 128 -17.375 16.066 0.020 2106 3HD2 LEU 128 3HD2 LEU 128 -16.621 15.763 1.585 2107 H ASP 129 H ASP 129 -14.251 16.190 -3.030 2108 HA ASP 129 HA ASP 129 -11.444 15.929 -2.211 2109 1HB ASP 129 2HB ASP 129 -10.639 16.269 -4.421 2110 2HB ASP 129 3HB ASP 129 -11.868 15.018 -4.552 2111 H ARG 130 H ARG 130 -10.355 17.866 -1.929 2112 HA ARG 130 HA ARG 130 -12.089 20.190 -1.742 2113 1HB ARG 130 2HB ARG 130 -10.418 19.329 0.070 2114 2HB ARG 130 3HB ARG 130 -9.201 20.128 -0.919 2115 1HG ARG 130 2HG ARG 130 -10.756 22.182 -0.747 2116 2HG ARG 130 3HG ARG 130 -11.474 21.316 0.612 2117 1HD ARG 130 2HD ARG 130 -8.901 21.048 1.261 2118 2HD ARG 130 3HD ARG 130 -8.793 22.545 0.335 2119 HE ARG 130 HE ARG 130 -10.902 22.905 2.073 2120 1HH1 ARG 130 1HH1 ARG 130 -7.496 22.131 2.376 2121 2HH1 ARG 130 2HH1 ARG 130 -7.297 22.977 3.883 2122 1HH2 ARG 130 1HH2 ARG 130 -10.661 23.991 4.085 2123 2HH2 ARG 130 2HH2 ARG 130 -9.103 24.032 4.859 2124 H SER 131 H SER 131 -12.298 21.153 -3.664 2125 HA SER 131 HA SER 131 -10.575 21.104 -5.802 2126 1HB SER 131 2HB SER 131 -12.105 23.616 -5.412 2127 2HB SER 131 3HB SER 131 -12.072 22.517 -6.794 2128 HG SER 131 HG SER 131 -13.344 21.053 -5.495 2129 H HIS 132 H HIS 132 -8.666 21.972 -6.229 2130 HA HIS 132 HA HIS 132 -7.324 23.520 -4.238 2131 1HB HIS 132 2HB HIS 132 -6.440 22.788 -7.043 2132 2HB HIS 132 3HB HIS 132 -5.397 23.453 -5.794 2133 HD1 HIS 132 HD1 HIS 132 -4.102 21.098 -6.495 2134 HD2 HIS 132 HD2 HIS 132 -7.565 20.791 -4.203 2135 HE1 HIS 132 HE1 HIS 132 -4.040 18.808 -5.469 2136 HE2 HIS 132 HE2 HIS 132 -6.238 18.568 -4.272 2137 H HIS 133 H HIS 133 -9.341 25.113 -4.745 2138 HA HIS 133 HA HIS 133 -8.710 26.991 -6.862 2139 1HB HIS 133 2HB HIS 133 -11.074 26.158 -5.728 2140 2HB HIS 133 3HB HIS 133 -10.849 27.754 -5.017 2141 HD1 HIS 133 HD1 HIS 133 -10.892 29.794 -6.632 2142 HD2 HIS 133 HD2 HIS 133 -11.617 26.126 -8.455 2143 HE1 HIS 133 HE1 HIS 133 -11.784 30.337 -8.922 2144 HE2 HIS 133 HE2 HIS 133 -12.018 28.103 -10.073 2145 H HIS 134 H HIS 134 -6.605 27.241 -5.509 2146 HA HIS 134 HA HIS 134 -6.810 29.892 -4.398 2147 1HB HIS 134 2HB HIS 134 -6.934 28.028 -2.486 2148 2HB HIS 134 3HB HIS 134 -5.186 28.053 -2.698 2149 HD1 HIS 134 HD1 HIS 134 -6.267 28.974 -0.027 2150 HD2 HIS 134 HD2 HIS 134 -5.672 31.551 -3.245 2151 HE1 HIS 134 HE1 HIS 134 -6.062 31.274 0.968 2152 HE2 HIS 134 HE2 HIS 134 -5.536 32.791 -0.977 2153 H HIS 135 H HIS 135 -5.765 28.540 -6.724 2154 HA HIS 135 HA HIS 135 -2.985 29.451 -6.536 2155 1HB HIS 135 2HB HIS 135 -3.754 26.742 -6.671 2156 2HB HIS 135 3HB HIS 135 -3.171 27.160 -8.279 2157 HD1 HIS 135 HD1 HIS 135 -2.045 26.418 -4.857 2158 HD2 HIS 135 HD2 HIS 135 -0.439 28.044 -8.333 2159 HE1 HIS 135 HE1 HIS 135 0.450 26.407 -4.525 2160 HE2 HIS 135 HE2 HIS 135 1.375 27.598 -6.546 2161 H HIS 136 H HIS 136 -2.717 30.967 -8.016 2162 HA HIS 136 HA HIS 136 -3.919 30.562 -10.663 2163 1HB HIS 136 2HB HIS 136 -4.396 32.928 -10.899 2164 2HB HIS 136 3HB HIS 136 -5.205 32.312 -9.466 2165 HD1 HIS 136 HD1 HIS 136 -4.367 33.181 -7.163 2166 HD2 HIS 136 HD2 HIS 136 -2.469 34.889 -10.445 2167 HE1 HIS 136 HE1 HIS 136 -3.109 35.158 -6.264 2168 HE2 HIS 136 HE2 HIS 136 -2.206 36.323 -8.302 2169 H HIS 137 H HIS 137 -1.242 30.854 -8.842 2170 HA HIS 137 HA HIS 137 0.489 30.955 -11.092 2171 1HB HIS 137 2HB HIS 137 0.419 33.334 -10.883 2172 2HB HIS 137 3HB HIS 137 0.457 33.255 -9.127 2173 HD1 HIS 137 HD1 HIS 137 2.566 34.407 -8.512 2174 HD2 HIS 137 HD2 HIS 137 3.122 31.735 -11.649 2175 HE1 HIS 137 HE1 HIS 137 5.044 34.352 -8.922 2176 HE2 HIS 137 HE2 HIS 137 5.374 32.610 -10.714 Start of MODEL 2 1 1H ALA 1 H1 ALA 1 -24.224 -8.468 13.154 2 2H ALA 1 H2 ALA 1 -24.126 -7.036 12.249 3 3H ALA 1 H3 ALA 1 -22.751 -8.008 12.446 4 HA ALA 1 HA ALA 1 -23.493 -5.858 13.961 5 1HB ALA 1 1HB ALA 1 -25.127 -7.559 14.965 6 2HB ALA 1 2HB ALA 1 -23.699 -8.279 15.712 7 3HB ALA 1 3HB ALA 1 -24.134 -6.607 16.069 8 H ASP 2 H ASP 2 -22.208 -7.859 16.234 9 HA ASP 2 HA ASP 2 -19.582 -6.783 15.786 10 1HB ASP 2 2HB ASP 2 -19.060 -7.773 17.991 11 2HB ASP 2 3HB ASP 2 -20.509 -6.775 18.029 12 H MET 3 H MET 3 -20.087 -8.533 13.732 13 HA MET 3 HA MET 3 -18.756 -11.051 14.267 14 1HB MET 3 2HB MET 3 -20.024 -9.753 11.935 15 2HB MET 3 3HB MET 3 -18.649 -10.785 11.563 16 1HG MET 3 2HG MET 3 -20.914 -11.730 13.283 17 2HG MET 3 3HG MET 3 -20.968 -11.835 11.525 18 1HE MET 3 1HE MET 3 -21.522 -13.920 13.308 19 2HE MET 3 2HE MET 3 -20.762 -15.277 12.474 20 3HE MET 3 3HE MET 3 -20.236 -14.833 14.099 21 H GLY 4 H GLY 4 -17.967 -7.877 13.781 22 1HA GLY 4 1HA GLY 4 -15.639 -7.788 12.318 23 2HA GLY 4 2HA GLY 4 -15.972 -6.728 13.675 24 H GLU 5 H GLU 5 -16.068 -9.089 15.509 25 HA GLU 5 HA GLU 5 -13.275 -9.097 16.172 26 1HB GLU 5 2HB GLU 5 -15.761 -9.756 17.478 27 2HB GLU 5 3HB GLU 5 -14.571 -11.025 17.737 28 1HG GLU 5 2HG GLU 5 -13.783 -9.785 19.391 29 2HG GLU 5 3HG GLU 5 -13.147 -8.702 18.154 30 H LYS 6 H LYS 6 -15.531 -11.349 14.696 31 HA LYS 6 HA LYS 6 -14.119 -13.706 15.055 32 1HB LYS 6 2HB LYS 6 -16.038 -14.436 14.201 33 2HB LYS 6 3HB LYS 6 -16.447 -12.816 13.666 34 1HG LYS 6 2HG LYS 6 -16.494 -13.775 11.645 35 2HG LYS 6 3HG LYS 6 -14.744 -13.555 11.709 36 1HD LYS 6 2HD LYS 6 -14.910 -15.786 11.137 37 2HD LYS 6 3HD LYS 6 -14.775 -15.872 12.898 38 1HE LYS 6 2HE LYS 6 -17.481 -15.602 12.494 39 2HE LYS 6 3HE LYS 6 -16.983 -16.623 11.145 40 1HZ LYS 6 HZ1 LYS 6 -15.792 -18.006 12.869 41 2HZ LYS 6 HZ2 LYS 6 -16.656 -17.137 14.042 42 3HZ LYS 6 HZ3 LYS 6 -17.491 -18.072 12.896 43 H PHE 7 H PHE 7 -13.967 -11.441 12.298 44 HA PHE 7 HA PHE 7 -11.901 -13.104 11.122 45 1HB PHE 7 2HB PHE 7 -12.010 -11.246 9.293 46 2HB PHE 7 3HB PHE 7 -13.290 -12.442 9.423 47 HD1 PHE 7 HD1 PHE 7 -12.417 -9.048 10.669 48 HD2 PHE 7 HD2 PHE 7 -15.460 -11.724 9.386 49 HE1 PHE 7 HE1 PHE 7 -14.060 -7.230 10.799 50 HE2 PHE 7 HE2 PHE 7 -17.114 -9.909 9.520 51 HZ PHE 7 HZ PHE 7 -16.409 -7.653 10.225 52 H ASP 8 H ASP 8 -12.097 -10.281 13.027 53 HA ASP 8 HA ASP 8 -9.896 -8.805 12.248 54 1HB ASP 8 2HB ASP 8 -11.126 -7.756 13.902 55 2HB ASP 8 3HB ASP 8 -11.271 -9.216 14.871 56 H ALA 9 H ALA 9 -9.941 -11.483 14.619 57 HA ALA 9 HA ALA 9 -7.170 -11.464 15.106 58 1HB ALA 9 1HB ALA 9 -9.456 -13.150 15.780 59 2HB ALA 9 2HB ALA 9 -7.935 -14.033 15.639 60 3HB ALA 9 3HB ALA 9 -8.065 -12.674 16.756 61 H THR 10 H THR 10 -9.129 -13.020 12.655 62 HA THR 10 HA THR 10 -7.105 -14.804 11.740 63 HB THR 10 HB THR 10 -9.109 -13.941 9.762 64 HG1 THR 10 HG1 THR 10 -10.770 -15.096 11.024 65 1HG2 THR 10 1HG2 THR 10 -7.932 -16.463 10.834 66 2HG2 THR 10 2HG2 THR 10 -9.506 -16.542 10.043 67 3HG2 THR 10 3HG2 THR 10 -8.109 -15.923 9.164 68 H PHE 11 H PHE 11 -8.194 -11.574 10.758 69 HA PHE 11 HA PHE 11 -6.509 -11.201 8.546 70 1HB PHE 11 2HB PHE 11 -8.378 -9.661 9.834 71 2HB PHE 11 3HB PHE 11 -6.887 -8.827 10.257 72 HD1 PHE 11 HD1 PHE 11 -5.256 -9.065 7.888 73 HD2 PHE 11 HD2 PHE 11 -9.454 -8.421 8.225 74 HE1 PHE 11 HE1 PHE 11 -5.264 -7.973 5.683 75 HE2 PHE 11 HE2 PHE 11 -9.465 -7.326 6.022 76 HZ PHE 11 HZ PHE 11 -7.367 -7.109 4.745 77 H LYS 12 H LYS 12 -5.972 -10.832 11.979 78 HA LYS 12 HA LYS 12 -3.396 -9.676 11.902 79 1HB LYS 12 2HB LYS 12 -5.253 -10.310 13.821 80 2HB LYS 12 3HB LYS 12 -3.980 -11.471 14.137 81 1HG LYS 12 2HG LYS 12 -3.368 -9.716 15.483 82 2HG LYS 12 3HG LYS 12 -2.418 -9.400 14.027 83 1HD LYS 12 2HD LYS 12 -3.403 -7.337 14.673 84 2HD LYS 12 3HD LYS 12 -4.287 -7.914 13.256 85 1HE LYS 12 2HE LYS 12 -5.999 -8.865 14.803 86 2HE LYS 12 3HE LYS 12 -5.156 -8.086 16.140 87 1HZ LYS 12 HZ1 LYS 12 -5.705 -6.261 14.008 88 2HZ LYS 12 HZ2 LYS 12 -7.129 -6.983 14.603 89 3HZ LYS 12 HZ3 LYS 12 -6.096 -6.150 15.660 90 H ALA 13 H ALA 13 -4.573 -12.951 11.711 91 HA ALA 13 HA ALA 13 -2.033 -14.194 12.163 92 1HB ALA 13 1HB ALA 13 -4.542 -15.081 12.383 93 2HB ALA 13 2HB ALA 13 -4.156 -15.697 10.776 94 3HB ALA 13 3HB ALA 13 -3.156 -16.147 12.157 95 H GLN 14 H GLN 14 -4.040 -13.549 9.311 96 HA GLN 14 HA GLN 14 -2.316 -14.879 7.503 97 1HB GLN 14 2HB GLN 14 -4.628 -13.019 7.255 98 2HB GLN 14 3HB GLN 14 -3.603 -13.237 5.844 99 1HG GLN 14 2HG GLN 14 -4.063 -15.813 6.742 100 2HG GLN 14 3HG GLN 14 -5.604 -14.991 6.978 101 1HE2 GLN 14 1HE2 GLN 14 -6.852 -15.602 5.356 102 2HE2 GLN 14 2HE2 GLN 14 -6.434 -15.554 3.674 103 H VAL 15 H VAL 15 -2.789 -11.416 8.163 104 HA VAL 15 HA VAL 15 -0.848 -10.520 6.372 105 HB VAL 15 HB VAL 15 -2.061 -9.259 8.815 106 1HG1 VAL 15 1HG1 VAL 15 0.442 -8.554 7.966 107 2HG1 VAL 15 2HG1 VAL 15 -0.589 -7.456 7.049 108 3HG1 VAL 15 3HG1 VAL 15 -0.684 -7.490 8.809 109 1HG2 VAL 15 1HG2 VAL 15 -3.089 -9.630 6.376 110 2HG2 VAL 15 2HG2 VAL 15 -3.470 -8.223 7.370 111 3HG2 VAL 15 3HG2 VAL 15 -2.252 -8.102 6.098 112 H LYS 16 H LYS 16 -0.535 -11.613 9.695 113 HA LYS 16 HA LYS 16 2.060 -10.710 10.232 114 1HB LYS 16 2HB LYS 16 0.210 -12.668 11.360 115 2HB LYS 16 3HB LYS 16 1.896 -13.143 11.533 116 1HG LYS 16 2HG LYS 16 2.401 -11.041 12.637 117 2HG LYS 16 3HG LYS 16 0.732 -10.512 12.410 118 1HD LYS 16 2HD LYS 16 0.443 -12.953 13.649 119 2HD LYS 16 3HD LYS 16 1.874 -12.276 14.430 120 1HE LYS 16 2HE LYS 16 -0.256 -10.324 14.099 121 2HE LYS 16 3HE LYS 16 -0.756 -11.713 15.061 122 1HZ LYS 16 HZ1 LYS 16 1.845 -10.598 15.718 123 2HZ LYS 16 HZ2 LYS 16 0.519 -9.600 16.064 124 3HZ LYS 16 HZ3 LYS 16 0.608 -11.154 16.739 125 H ALA 17 H ALA 17 0.926 -13.520 8.452 126 HA ALA 17 HA ALA 17 3.391 -14.887 8.303 127 1HB ALA 17 1HB ALA 17 0.845 -14.991 6.745 128 2HB ALA 17 2HB ALA 17 2.263 -15.873 6.172 129 3HB ALA 17 3HB ALA 17 1.590 -16.224 7.765 130 H ALA 18 H ALA 18 2.058 -12.226 6.512 131 HA ALA 18 HA ALA 18 3.888 -12.373 4.317 132 1HB ALA 18 1HB ALA 18 1.535 -11.130 4.635 133 2HB ALA 18 2HB ALA 18 2.629 -9.781 4.947 134 3HB ALA 18 3HB ALA 18 2.724 -10.660 3.420 135 H LYS 19 H LYS 19 3.888 -10.822 7.455 136 HA LYS 19 HA LYS 19 6.240 -9.225 6.937 137 1HB LYS 19 2HB LYS 19 5.253 -8.130 8.643 138 2HB LYS 19 3HB LYS 19 4.266 -9.518 9.068 139 1HG LYS 19 2HG LYS 19 6.201 -10.452 10.304 140 2HG LYS 19 3HG LYS 19 7.088 -8.968 9.954 141 1HD LYS 19 2HD LYS 19 5.566 -7.659 11.232 142 2HD LYS 19 3HD LYS 19 4.432 -9.005 11.378 143 1HE LYS 19 2HE LYS 19 5.437 -9.141 13.422 144 2HE LYS 19 3HE LYS 19 6.523 -10.175 12.498 145 1HZ LYS 19 HZ1 LYS 19 7.817 -7.996 12.118 146 2HZ LYS 19 HZ2 LYS 19 6.955 -7.423 13.456 147 3HZ LYS 19 HZ3 LYS 19 7.958 -8.780 13.612 148 H ALA 20 H ALA 20 5.412 -12.366 7.906 149 HA ALA 20 HA ALA 20 7.883 -13.005 9.242 150 1HB ALA 20 1HB ALA 20 5.351 -14.117 9.213 151 2HB ALA 20 2HB ALA 20 6.351 -15.307 8.379 152 3HB ALA 20 3HB ALA 20 6.781 -14.778 10.006 153 H ASP 21 H ASP 21 6.830 -12.935 5.993 154 HA ASP 21 HA ASP 21 8.624 -15.008 5.097 155 1HB ASP 21 2HB ASP 21 6.308 -13.794 4.073 156 2HB ASP 21 3HB ASP 21 7.600 -13.373 2.953 157 H MET 22 H MET 22 9.587 -12.380 6.325 158 HA MET 22 HA MET 22 11.785 -12.061 4.455 159 1HB MET 22 2HB MET 22 11.610 -9.523 4.684 160 2HB MET 22 3HB MET 22 10.468 -10.308 3.600 161 1HG MET 22 2HG MET 22 9.110 -10.316 5.964 162 2HG MET 22 3HG MET 22 10.004 -8.799 6.052 163 1HE MET 22 1HE MET 22 10.172 -8.943 2.716 164 2HE MET 22 2HE MET 22 8.848 -7.950 2.107 165 3HE MET 22 3HE MET 22 9.968 -7.292 3.300 166 H VAL 23 H VAL 23 13.627 -10.958 5.409 167 HA VAL 23 HA VAL 23 13.931 -11.639 8.180 168 HB VAL 23 HB VAL 23 15.844 -10.109 6.402 169 1HG1 VAL 23 1HG1 VAL 23 16.142 -9.987 8.923 170 2HG1 VAL 23 2HG1 VAL 23 16.515 -11.709 8.858 171 3HG1 VAL 23 3HG1 VAL 23 17.526 -10.555 7.990 172 1HG2 VAL 23 1HG2 VAL 23 15.009 -12.685 6.011 173 2HG2 VAL 23 2HG2 VAL 23 16.558 -12.025 5.484 174 3HG2 VAL 23 3HG2 VAL 23 16.447 -12.907 7.009 175 H MET 24 H MET 24 12.836 -10.392 9.575 176 HA MET 24 HA MET 24 12.351 -7.628 9.158 177 1HB MET 24 2HB MET 24 11.994 -9.425 11.555 178 2HB MET 24 3HB MET 24 11.527 -7.730 11.552 179 1HG MET 24 2HG MET 24 10.465 -9.117 9.256 180 2HG MET 24 3HG MET 24 9.986 -9.897 10.762 181 1HE MET 24 1HE MET 24 9.931 -6.889 8.511 182 2HE MET 24 2HE MET 24 8.375 -7.690 8.294 183 3HE MET 24 3HE MET 24 8.443 -6.063 8.968 184 H LEU 25 H LEU 25 13.570 -5.937 9.616 185 HA LEU 25 HA LEU 25 15.636 -6.116 11.681 186 1HB LEU 25 2HB LEU 25 16.112 -6.128 8.857 187 2HB LEU 25 3HB LEU 25 16.692 -4.610 9.513 188 HG LEU 25 HG LEU 25 17.650 -7.391 10.061 189 1HD1 LEU 25 1HD1 LEU 25 18.555 -5.327 8.503 190 2HD1 LEU 25 2HD1 LEU 25 19.515 -5.151 9.972 191 3HD1 LEU 25 3HD1 LEU 25 19.529 -6.678 9.085 192 1HD2 LEU 25 1HD2 LEU 25 17.101 -6.282 12.249 193 2HD2 LEU 25 2HD2 LEU 25 18.794 -6.723 12.031 194 3HD2 LEU 25 3HD2 LEU 25 18.287 -5.045 11.834 195 H SER 26 H SER 26 16.299 -4.088 12.479 196 HA SER 26 HA SER 26 14.245 -2.057 12.303 197 1HB SER 26 2HB SER 26 16.465 -1.224 13.898 198 2HB SER 26 3HB SER 26 14.859 -1.725 14.437 199 HG SER 26 HG SER 26 16.592 -3.020 15.298 200 HA PRO 27 HA PRO 27 16.026 0.414 9.124 201 1HB PRO 27 2HB PRO 27 15.580 2.906 10.362 202 2HB PRO 27 3HB PRO 27 14.503 2.071 9.240 203 1HG PRO 27 2HG PRO 27 14.454 2.138 12.220 204 2HG PRO 27 3HG PRO 27 13.104 2.087 11.071 205 1HD PRO 27 2HD PRO 27 13.804 -0.087 12.425 206 2HD PRO 27 3HD PRO 27 13.340 -0.207 10.717 207 H LYS 28 H LYS 28 17.175 0.673 12.409 208 HA LYS 28 HA LYS 28 19.380 2.411 11.832 209 1HB LYS 28 2HB LYS 28 18.392 0.871 14.152 210 2HB LYS 28 3HB LYS 28 20.134 1.114 14.088 211 1HG LYS 28 2HG LYS 28 19.733 3.549 13.855 212 2HG LYS 28 3HG LYS 28 18.008 3.243 14.083 213 1HD LYS 28 2HD LYS 28 19.278 1.905 16.181 214 2HD LYS 28 3HD LYS 28 20.111 3.455 16.047 215 1HE LYS 28 2HE LYS 28 18.413 4.099 17.406 216 2HE LYS 28 3HE LYS 28 17.613 4.335 15.853 217 1HZ LYS 28 HZ1 LYS 28 17.389 1.681 17.033 218 2HZ LYS 28 HZ2 LYS 28 16.553 2.926 17.829 219 3HZ LYS 28 HZ3 LYS 28 16.231 2.599 16.194 220 H ASP 29 H ASP 29 18.967 -1.096 12.242 221 HA ASP 29 HA ASP 29 21.724 -1.654 11.612 222 1HB ASP 29 2HB ASP 29 19.866 -3.088 12.947 223 2HB ASP 29 3HB ASP 29 19.726 -3.828 11.351 224 H ALA 30 H ALA 30 18.729 -1.404 9.934 225 HA ALA 30 HA ALA 30 19.560 -2.697 7.528 226 1HB ALA 30 1HB ALA 30 17.169 -2.247 8.213 227 2HB ALA 30 2HB ALA 30 17.438 -0.577 7.714 228 3HB ALA 30 3HB ALA 30 17.581 -1.883 6.535 229 H TYR 31 H TYR 31 19.685 0.574 8.779 230 HA TYR 31 HA TYR 31 20.509 1.781 6.334 231 1HB TYR 31 HB2 TYR 31 19.396 3.171 7.893 232 2HB TYR 31 HB3 TYR 31 20.471 2.699 9.200 233 HD1 TYR 31 HD1 TYR 31 20.334 4.557 6.003 234 HD2 TYR 31 HD2 TYR 31 22.394 3.954 9.672 235 HE1 TYR 31 HE1 TYR 31 21.721 6.532 5.543 236 HE2 TYR 31 HE2 TYR 31 23.794 5.922 9.225 237 HH TYR 31 HH TYR 31 24.192 7.632 7.874 238 H LYS 32 H LYS 32 22.248 0.604 9.197 239 HA LYS 32 HA LYS 32 24.701 1.773 8.572 240 1HB LYS 32 2HB LYS 32 25.710 0.272 10.181 241 2HB LYS 32 3HB LYS 32 24.175 0.866 10.792 242 1HG LYS 32 2HG LYS 32 23.128 -1.202 10.499 243 2HG LYS 32 3HG LYS 32 24.394 -1.787 9.417 244 1HD LYS 32 2HD LYS 32 25.766 -1.199 11.732 245 2HD LYS 32 3HD LYS 32 24.239 -1.856 12.324 246 1HE LYS 32 2HE LYS 32 25.010 -3.507 10.197 247 2HE LYS 32 3HE LYS 32 26.476 -3.216 11.133 248 1HZ LYS 32 HZ1 LYS 32 23.947 -4.019 12.443 249 2HZ LYS 32 HZ2 LYS 32 25.014 -5.171 11.794 250 3HZ LYS 32 HZ3 LYS 32 25.534 -4.135 13.035 251 H LEU 33 H LEU 33 23.426 -1.411 7.612 252 HA LEU 33 HA LEU 33 25.854 -2.122 6.248 253 1HB LEU 33 2HB LEU 33 24.163 -3.802 5.103 254 2HB LEU 33 3HB LEU 33 24.792 -4.069 6.713 255 HG LEU 33 HG LEU 33 22.529 -2.671 7.279 256 1HD1 LEU 33 1HD1 LEU 33 22.113 -2.962 4.688 257 2HD1 LEU 33 2HD1 LEU 33 21.551 -4.555 5.197 258 3HD1 LEU 33 3HD1 LEU 33 20.796 -3.102 5.855 259 1HD2 LEU 33 1HD2 LEU 33 22.918 -5.641 6.940 260 2HD2 LEU 33 2HD2 LEU 33 23.186 -4.685 8.399 261 3HD2 LEU 33 3HD2 LEU 33 21.550 -4.909 7.778 262 H LEU 34 H LEU 34 23.005 -0.352 5.505 263 HA LEU 34 HA LEU 34 22.963 -0.522 2.709 264 1HB LEU 34 2HB LEU 34 21.829 1.221 4.777 265 2HB LEU 34 3HB LEU 34 22.086 2.022 3.240 266 HG LEU 34 HG LEU 34 20.531 -0.544 3.517 267 1HD1 LEU 34 1HD1 LEU 34 19.547 1.373 4.812 268 2HD1 LEU 34 2HD1 LEU 34 19.399 2.238 3.282 269 3HD1 LEU 34 3HD1 LEU 34 18.524 0.727 3.529 270 1HD2 LEU 34 1HD2 LEU 34 21.073 1.410 1.318 271 2HD2 LEU 34 2HD2 LEU 34 21.165 -0.352 1.299 272 3HD2 LEU 34 3HD2 LEU 34 19.593 0.449 1.316 273 H GLN 35 H GLN 35 24.391 2.005 4.784 274 HA GLN 35 HA GLN 35 25.550 3.350 2.555 275 1HB GLN 35 2HB GLN 35 26.175 3.702 5.489 276 2HB GLN 35 3HB GLN 35 26.551 4.836 4.199 277 1HG GLN 35 2HG GLN 35 23.727 4.015 4.662 278 2HG GLN 35 3HG GLN 35 24.480 5.210 5.718 279 1HE2 GLN 35 1HE2 GLN 35 23.849 7.154 5.155 280 2HE2 GLN 35 2HE2 GLN 35 23.701 7.751 3.536 281 H GLU 36 H GLU 36 26.682 0.906 4.764 282 HA GLU 36 HA GLU 36 29.444 1.357 4.105 283 1HB GLU 36 2HB GLU 36 29.929 0.057 5.888 284 2HB GLU 36 3HB GLU 36 28.254 0.377 6.302 285 1HG GLU 36 2HG GLU 36 27.592 -1.746 5.860 286 2HG GLU 36 3HG GLU 36 28.813 -1.988 4.609 287 H ASN 37 H ASN 37 26.875 -0.577 2.888 288 HA ASN 37 HA ASN 37 28.798 -1.961 1.133 289 1HB ASN 37 2HB ASN 37 26.240 -2.961 2.367 290 2HB ASN 37 3HB ASN 37 26.868 -3.671 0.883 291 1HD2 ASN 37 1HD2 ASN 37 26.713 -4.102 4.065 292 2HD2 ASN 37 2HD2 ASN 37 28.169 -5.001 4.336 293 HA PRO 38 HA PRO 38 26.471 0.617 -1.778 294 1HB PRO 38 2HB PRO 38 28.483 -0.333 -3.686 295 2HB PRO 38 3HB PRO 38 28.124 1.316 -3.169 296 1HG PRO 38 2HG PRO 38 30.394 0.045 -2.453 297 2HG PRO 38 3HG PRO 38 29.592 1.225 -1.402 298 1HD PRO 38 2HD PRO 38 29.545 -1.767 -1.277 299 2HD PRO 38 3HD PRO 38 29.663 -0.583 0.044 300 H ASP 39 H ASP 39 26.849 -2.654 -1.502 301 HA ASP 39 HA ASP 39 25.507 -3.327 -4.005 302 1HB ASP 39 2HB ASP 39 27.528 -4.621 -2.828 303 2HB ASP 39 3HB ASP 39 26.199 -5.405 -1.976 304 H ILE 40 H ILE 40 24.980 -2.958 -0.621 305 HA ILE 40 HA ILE 40 22.412 -4.305 -0.672 306 HB ILE 40 HB ILE 40 23.750 -2.713 1.523 307 1HG1 ILE 40 2HG1 ILE 40 23.388 -5.690 1.098 308 2HG1 ILE 40 3HG1 ILE 40 24.905 -4.803 1.021 309 1HG2 ILE 40 1HG2 ILE 40 21.285 -2.645 1.654 310 2HG2 ILE 40 2HG2 ILE 40 21.256 -4.409 1.660 311 3HG2 ILE 40 3HG2 ILE 40 22.010 -3.534 2.995 312 1HD1 ILE 40 1HD1 ILE 40 23.402 -4.586 3.546 313 2HD1 ILE 40 2HD1 ILE 40 24.094 -6.165 3.169 314 3HD1 ILE 40 3HD1 ILE 40 25.136 -4.744 3.258 315 H THR 41 H THR 41 20.806 -3.324 -1.614 316 HA THR 41 HA THR 41 20.685 -0.390 -1.599 317 HB THR 41 HB THR 41 18.913 -2.014 -3.367 318 HG1 THR 41 HG1 THR 41 21.468 -2.550 -3.250 319 1HG2 THR 41 1HG2 THR 41 20.073 0.675 -3.256 320 2HG2 THR 41 2HG2 THR 41 20.125 -0.064 -4.857 321 3HG2 THR 41 3HG2 THR 41 18.583 0.114 -4.015 322 H LEU 42 H LEU 42 18.792 0.711 -0.992 323 HA LEU 42 HA LEU 42 16.838 -0.925 0.468 324 1HB LEU 42 2HB LEU 42 17.750 0.750 1.917 325 2HB LEU 42 3HB LEU 42 17.579 1.993 0.690 326 HG LEU 42 HG LEU 42 15.067 1.682 0.909 327 1HD1 LEU 42 1HD1 LEU 42 15.755 -0.534 2.355 328 2HD1 LEU 42 2HD1 LEU 42 15.357 0.631 3.617 329 3HD1 LEU 42 3HD1 LEU 42 14.175 0.246 2.368 330 1HD2 LEU 42 1HD2 LEU 42 16.916 3.140 2.466 331 2HD2 LEU 42 2HD2 LEU 42 15.227 3.526 2.129 332 3HD2 LEU 42 3HD2 LEU 42 15.649 2.573 3.554 333 H ILE 43 H ILE 43 14.915 -1.173 -0.353 334 HA ILE 43 HA ILE 43 14.023 0.662 -2.474 335 HB ILE 43 HB ILE 43 13.345 -2.247 -2.039 336 1HG1 ILE 43 2HG1 ILE 43 13.941 -1.288 -4.727 337 2HG1 ILE 43 3HG1 ILE 43 15.247 -0.964 -3.592 338 1HG2 ILE 43 1HG2 ILE 43 11.916 -0.216 -3.750 339 2HG2 ILE 43 2HG2 ILE 43 11.767 -1.958 -3.978 340 3HG2 ILE 43 3HG2 ILE 43 11.232 -1.217 -2.469 341 1HD1 ILE 43 1HD1 ILE 43 14.835 -3.488 -2.952 342 2HD1 ILE 43 2HD1 ILE 43 14.187 -3.543 -4.590 343 3HD1 ILE 43 3HD1 ILE 43 15.852 -3.029 -4.317 344 H ASP 44 H ASP 44 12.843 2.143 -1.538 345 HA ASP 44 HA ASP 44 11.188 1.517 0.753 346 1HB ASP 44 2HB ASP 44 12.173 3.641 0.943 347 2HB ASP 44 3HB ASP 44 11.867 4.037 -0.741 348 H VAL 45 H VAL 45 9.159 0.911 0.626 349 HA VAL 45 HA VAL 45 7.808 1.185 -1.973 350 HB VAL 45 HB VAL 45 6.757 -0.740 0.037 351 1HG1 VAL 45 1HG1 VAL 45 5.901 -0.234 -2.349 352 2HG1 VAL 45 2HG1 VAL 45 7.270 -1.216 -2.880 353 3HG1 VAL 45 3HG1 VAL 45 6.030 -1.919 -1.838 354 1HG2 VAL 45 1HG2 VAL 45 9.387 -1.077 -1.376 355 2HG2 VAL 45 2HG2 VAL 45 8.999 -1.361 0.320 356 3HG2 VAL 45 3HG2 VAL 45 8.400 -2.465 -0.918 357 H ARG 46 H ARG 46 6.836 3.051 -1.771 358 HA ARG 46 HA ARG 46 4.545 3.314 -0.064 359 1HB ARG 46 2HB ARG 46 6.987 4.213 0.943 360 2HB ARG 46 3HB ARG 46 6.238 5.663 0.292 361 1HG ARG 46 2HG ARG 46 4.256 4.275 1.756 362 2HG ARG 46 3HG ARG 46 5.716 4.340 2.750 363 1HD ARG 46 2HD ARG 46 5.525 6.534 3.072 364 2HD ARG 46 3HD ARG 46 5.179 6.841 1.376 365 HE ARG 46 HE ARG 46 3.346 7.052 3.396 366 1HH1 ARG 46 1HH1 ARG 46 3.420 4.959 0.565 367 2HH1 ARG 46 2HH1 ARG 46 1.733 5.161 0.225 368 1HH2 ARG 46 1HH2 ARG 46 1.166 7.254 2.983 369 2HH2 ARG 46 2HH2 ARG 46 0.442 6.470 1.602 370 H ASP 47 H ASP 47 4.216 6.115 -0.393 371 HA ASP 47 HA ASP 47 4.168 6.307 -3.324 372 1HB ASP 47 2HB ASP 47 2.121 7.251 -1.307 373 2HB ASP 47 3HB ASP 47 2.069 7.634 -3.027 374 HA PRO 48 HA PRO 48 6.661 9.804 -3.017 375 1HB PRO 48 2HB PRO 48 5.761 11.260 -5.180 376 2HB PRO 48 3HB PRO 48 6.861 9.881 -5.274 377 1HG PRO 48 2HG PRO 48 3.904 9.983 -5.704 378 2HG PRO 48 3HG PRO 48 5.139 9.096 -6.618 379 1HD PRO 48 2HD PRO 48 3.578 7.861 -4.831 380 2HD PRO 48 3HD PRO 48 5.288 7.417 -5.022 381 H ASP 49 H ASP 49 3.195 10.413 -3.064 382 HA ASP 49 HA ASP 49 3.464 13.213 -2.606 383 1HB ASP 49 2HB ASP 49 1.329 11.523 -3.240 384 2HB ASP 49 3HB ASP 49 0.925 12.206 -1.664 385 H GLU 50 H GLU 50 2.698 10.487 -0.442 386 HA GLU 50 HA GLU 50 2.747 12.137 1.900 387 1HB GLU 50 2HB GLU 50 1.996 9.490 1.363 388 2HB GLU 50 3HB GLU 50 3.364 9.367 2.463 389 1HG GLU 50 2HG GLU 50 2.118 11.154 3.845 390 2HG GLU 50 3HG GLU 50 0.714 10.684 2.892 391 H LEU 51 H LEU 51 5.070 10.489 -0.039 392 HA LEU 51 HA LEU 51 7.277 10.488 1.750 393 1HB LEU 51 2HB LEU 51 6.820 9.789 -0.936 394 2HB LEU 51 3HB LEU 51 8.058 11.031 -0.969 395 HG LEU 51 HG LEU 51 9.197 9.558 0.872 396 1HD1 LEU 51 1HD1 LEU 51 6.929 8.045 0.430 397 2HD1 LEU 51 2HD1 LEU 51 8.185 7.201 -0.476 398 3HD1 LEU 51 3HD1 LEU 51 8.400 7.517 1.246 399 1HD2 LEU 51 1HD2 LEU 51 9.143 9.262 -2.083 400 2HD2 LEU 51 2HD2 LEU 51 10.455 9.770 -1.019 401 3HD2 LEU 51 3HD2 LEU 51 10.034 8.063 -1.146 402 H LYS 52 H LYS 52 6.010 12.828 -0.561 403 HA LYS 52 HA LYS 52 7.971 14.819 -0.271 404 1HB LYS 52 2HB LYS 52 5.135 14.760 -1.188 405 2HB LYS 52 3HB LYS 52 5.835 16.327 -0.813 406 1HG LYS 52 2HG LYS 52 7.136 16.330 -2.644 407 2HG LYS 52 3HG LYS 52 7.477 14.601 -2.534 408 1HD LYS 52 2HD LYS 52 6.201 14.979 -4.525 409 2HD LYS 52 3HD LYS 52 5.161 14.164 -3.357 410 1HE LYS 52 2HE LYS 52 4.429 16.569 -2.715 411 2HE LYS 52 3HE LYS 52 5.105 17.012 -4.282 412 1HZ LYS 52 HZ1 LYS 52 3.639 15.107 -5.156 413 2HZ LYS 52 HZ2 LYS 52 2.797 15.266 -3.688 414 3HZ LYS 52 HZ3 LYS 52 2.900 16.576 -4.755 415 H ALA 53 H ALA 53 5.103 14.051 1.598 416 HA ALA 53 HA ALA 53 5.245 16.455 3.164 417 1HB ALA 53 1HB ALA 53 3.123 15.294 2.556 418 2HB ALA 53 2HB ALA 53 3.560 14.017 3.688 419 3HB ALA 53 3HB ALA 53 3.290 15.657 4.272 420 H MET 54 H MET 54 6.114 13.069 3.668 421 HA MET 54 HA MET 54 6.800 13.653 6.451 422 1HB MET 54 2HB MET 54 6.454 11.091 4.910 423 2HB MET 54 3HB MET 54 7.131 11.116 6.533 424 1HG MET 54 2HG MET 54 4.693 12.629 6.445 425 2HG MET 54 3HG MET 54 4.437 11.009 5.800 426 1HE MET 54 1HE MET 54 4.994 8.966 6.805 427 2HE MET 54 2HE MET 54 5.091 8.615 8.530 428 3HE MET 54 3HE MET 54 3.554 9.101 7.814 429 H GLY 55 H GLY 55 8.363 12.652 3.474 430 1HA GLY 55 1HA GLY 55 10.700 13.422 3.252 431 2HA GLY 55 2HA GLY 55 10.939 12.783 4.869 432 H LYS 56 H LYS 56 12.607 11.940 2.921 433 HA LYS 56 HA LYS 56 11.878 9.115 2.721 434 1HB LYS 56 2HB LYS 56 12.943 9.040 0.435 435 2HB LYS 56 3HB LYS 56 11.396 9.869 0.505 436 1HG LYS 56 2HG LYS 56 12.375 11.967 0.243 437 2HG LYS 56 3HG LYS 56 13.980 11.373 0.675 438 1HD LYS 56 2HD LYS 56 14.417 10.693 -1.422 439 2HD LYS 56 3HD LYS 56 12.795 10.033 -1.643 440 1HE LYS 56 2HE LYS 56 11.919 12.213 -2.149 441 2HE LYS 56 3HE LYS 56 13.459 12.972 -1.743 442 1HZ LYS 56 HZ1 LYS 56 13.816 10.971 -3.726 443 2HZ LYS 56 HZ2 LYS 56 12.646 12.092 -4.228 444 3HZ LYS 56 HZ3 LYS 56 14.195 12.623 -3.786 445 HA PRO 57 HA PRO 57 15.892 8.476 4.331 446 1HB PRO 57 2HB PRO 57 16.424 6.246 2.492 447 2HB PRO 57 3HB PRO 57 16.239 6.240 4.248 448 1HG PRO 57 2HG PRO 57 14.356 5.212 2.620 449 2HG PRO 57 3HG PRO 57 13.947 6.021 4.144 450 1HD PRO 57 2HD PRO 57 13.784 7.060 1.342 451 2HD PRO 57 3HD PRO 57 12.656 7.287 2.696 452 H ASP 58 H ASP 58 17.825 9.351 4.077 453 HA ASP 58 HA ASP 58 18.798 9.962 1.375 454 1HB ASP 58 2HB ASP 58 18.592 11.724 3.267 455 2HB ASP 58 3HB ASP 58 20.018 10.951 3.946 456 H VAL 59 H VAL 59 19.535 7.858 0.879 457 HA VAL 59 HA VAL 59 22.035 7.140 2.243 458 HB VAL 59 HB VAL 59 21.549 4.800 2.224 459 1HG1 VAL 59 1HG1 VAL 59 20.474 6.346 3.998 460 2HG1 VAL 59 2HG1 VAL 59 18.957 5.921 3.207 461 3HG1 VAL 59 3HG1 VAL 59 19.969 4.660 3.910 462 1HG2 VAL 59 1HG2 VAL 59 18.979 5.493 0.808 463 2HG2 VAL 59 2HG2 VAL 59 20.356 4.623 0.130 464 3HG2 VAL 59 3HG2 VAL 59 19.400 3.894 1.422 465 H LYS 60 H LYS 60 23.473 5.804 0.919 466 HA LYS 60 HA LYS 60 23.847 6.962 -1.583 467 1HB LYS 60 2HB LYS 60 25.124 4.860 0.006 468 2HB LYS 60 3HB LYS 60 25.333 4.665 -1.728 469 1HG LYS 60 2HG LYS 60 26.995 6.115 -1.632 470 2HG LYS 60 3HG LYS 60 25.826 7.367 -1.207 471 1HD LYS 60 2HD LYS 60 27.156 7.548 0.619 472 2HD LYS 60 3HD LYS 60 26.129 6.234 1.194 473 1HE LYS 60 2HE LYS 60 27.849 4.822 1.266 474 2HE LYS 60 3HE LYS 60 28.317 5.221 -0.387 475 1HZ LYS 60 HZ1 LYS 60 29.049 6.781 2.036 476 2HZ LYS 60 HZ2 LYS 60 30.073 5.722 1.199 477 3HZ LYS 60 HZ3 LYS 60 29.520 7.139 0.442 478 H ASN 61 H ASN 61 22.478 3.801 -0.757 479 HA ASN 61 HA ASN 61 21.780 3.471 -3.599 480 1HB ASN 61 2HB ASN 61 21.770 1.093 -1.812 481 2HB ASN 61 3HB ASN 61 22.208 1.221 -3.510 482 1HD2 ASN 61 1HD2 ASN 61 23.415 0.360 -0.697 483 2HD2 ASN 61 2HD2 ASN 61 25.061 0.856 -0.873 484 H TYR 62 H TYR 62 19.823 4.648 -3.331 485 HA TYR 62 HA TYR 62 17.748 3.136 -1.888 486 1HB TYR 62 HB2 TYR 62 18.039 5.111 -0.621 487 2HB TYR 62 HB3 TYR 62 18.233 6.107 -2.057 488 HD1 TYR 62 HD1 TYR 62 15.573 3.651 -1.164 489 HD2 TYR 62 HD2 TYR 62 16.564 7.705 -1.971 490 HE1 TYR 62 HE1 TYR 62 13.193 4.238 -1.087 491 HE2 TYR 62 HE2 TYR 62 14.181 8.312 -1.887 492 HH TYR 62 HH TYR 62 11.775 6.226 -0.683 493 H LYS 63 H LYS 63 16.105 2.468 -3.127 494 HA LYS 63 HA LYS 63 15.588 3.884 -5.656 495 1HB LYS 63 2HB LYS 63 15.464 0.890 -5.229 496 2HB LYS 63 3HB LYS 63 15.052 1.739 -6.709 497 1HG LYS 63 2HG LYS 63 17.453 2.603 -6.633 498 2HG LYS 63 3HG LYS 63 17.737 1.280 -5.501 499 1HD LYS 63 2HD LYS 63 16.264 0.235 -7.674 500 2HD LYS 63 3HD LYS 63 17.563 1.216 -8.354 501 1HE LYS 63 2HE LYS 63 18.382 -0.513 -6.135 502 2HE LYS 63 3HE LYS 63 17.812 -1.378 -7.559 503 1HZ LYS 63 HZ1 LYS 63 19.381 0.047 -8.867 504 2HZ LYS 63 HZ2 LYS 63 20.035 0.577 -7.398 505 3HZ LYS 63 HZ3 LYS 63 20.126 -1.063 -7.824 506 H HIS 64 H HIS 64 13.518 4.559 -5.841 507 HA HIS 64 HA HIS 64 11.584 3.569 -3.888 508 1HB HIS 64 2HB HIS 64 12.100 6.090 -4.468 509 2HB HIS 64 3HB HIS 64 10.981 5.796 -5.795 510 HD1 HIS 64 HD1 HIS 64 9.105 7.275 -4.853 511 HD2 HIS 64 HD2 HIS 64 10.343 4.264 -2.279 512 HE1 HIS 64 HE1 HIS 64 7.414 7.233 -2.991 513 HE2 HIS 64 HE2 HIS 64 8.405 5.641 -1.300 514 H MET 65 H MET 65 10.134 2.062 -4.450 515 HA MET 65 HA MET 65 9.358 1.906 -7.295 516 1HB MET 65 2HB MET 65 10.423 -0.125 -5.563 517 2HB MET 65 3HB MET 65 8.788 -0.565 -6.040 518 1HG MET 65 2HG MET 65 9.390 -1.006 -8.141 519 2HG MET 65 3HG MET 65 10.431 0.412 -8.245 520 1HE MET 65 1HE MET 65 12.565 0.271 -6.226 521 2HE MET 65 2HE MET 65 13.809 -0.798 -6.875 522 3HE MET 65 3HE MET 65 13.016 0.373 -7.929 523 H SER 66 H SER 66 7.437 2.906 -7.381 524 HA SER 66 HA SER 66 5.431 2.216 -5.339 525 1HB SER 66 2HB SER 66 5.348 4.915 -6.552 526 2HB SER 66 3HB SER 66 5.053 4.412 -4.886 527 HG SER 66 HG SER 66 7.432 4.007 -4.880 528 H ARG 67 H ARG 67 3.248 3.287 -6.049 529 HA ARG 67 HA ARG 67 1.394 3.200 -7.318 530 1HB ARG 67 2HB ARG 67 3.175 4.673 -8.703 531 2HB ARG 67 3HB ARG 67 2.839 3.414 -9.886 532 1HG ARG 67 2HG ARG 67 0.625 4.017 -10.103 533 2HG ARG 67 3HG ARG 67 0.573 4.794 -8.519 534 1HD ARG 67 2HD ARG 67 0.581 6.618 -9.923 535 2HD ARG 67 3HD ARG 67 2.300 6.431 -9.582 536 HE ARG 67 HE ARG 67 1.061 5.331 -12.027 537 1HH1 ARG 67 1HH1 ARG 67 3.505 7.274 -10.423 538 2HH1 ARG 67 2HH1 ARG 67 4.451 7.488 -11.869 539 1HH2 ARG 67 1HH2 ARG 67 2.299 5.651 -13.929 540 2HH2 ARG 67 2HH2 ARG 67 3.776 6.566 -13.841 541 H GLY 68 H GLY 68 3.044 2.012 -10.074 542 1HA GLY 68 1HA GLY 68 1.185 0.223 -10.798 543 2HA GLY 68 2HA GLY 68 2.832 0.150 -11.376 544 H LYS 69 H LYS 69 2.408 -0.480 -8.025 545 HA LYS 69 HA LYS 69 2.393 -2.384 -6.757 546 1HB LYS 69 2HB LYS 69 2.272 -3.981 -9.330 547 2HB LYS 69 3HB LYS 69 2.105 -4.620 -7.702 548 1HG LYS 69 2HG LYS 69 -0.019 -3.758 -7.439 549 2HG LYS 69 3HG LYS 69 0.218 -2.521 -8.677 550 1HD LYS 69 2HD LYS 69 0.532 -5.133 -9.827 551 2HD LYS 69 3HD LYS 69 -1.007 -5.037 -8.969 552 1HE LYS 69 2HE LYS 69 -1.573 -4.279 -11.080 553 2HE LYS 69 3HE LYS 69 -1.271 -2.776 -10.211 554 1HZ LYS 69 HZ1 LYS 69 1.015 -2.831 -11.150 555 2HZ LYS 69 HZ2 LYS 69 0.566 -4.154 -12.104 556 3HZ LYS 69 HZ3 LYS 69 -0.202 -2.651 -12.318 557 H LEU 70 H LEU 70 4.470 -0.972 -8.345 558 HA LEU 70 HA LEU 70 6.722 -0.792 -8.358 559 1HB LEU 70 2HB LEU 70 7.889 -1.718 -6.686 560 2HB LEU 70 3HB LEU 70 6.295 -2.171 -6.124 561 HG LEU 70 HG LEU 70 7.057 -4.313 -7.731 562 1HD1 LEU 70 1HD1 LEU 70 9.397 -2.942 -7.130 563 2HD1 LEU 70 2HD1 LEU 70 9.334 -4.255 -5.955 564 3HD1 LEU 70 3HD1 LEU 70 9.259 -4.612 -7.680 565 1HD2 LEU 70 1HD2 LEU 70 5.907 -4.153 -5.438 566 2HD2 LEU 70 2HD2 LEU 70 6.935 -5.551 -5.758 567 3HD2 LEU 70 3HD2 LEU 70 7.538 -4.218 -4.772 568 H GLU 71 H GLU 71 5.259 -3.737 -9.402 569 HA GLU 71 HA GLU 71 7.363 -5.050 -10.556 570 1HB GLU 71 2HB GLU 71 5.552 -5.843 -12.302 571 2HB GLU 71 3HB GLU 71 5.518 -6.364 -10.625 572 1HG GLU 71 2HG GLU 71 3.436 -5.644 -10.509 573 2HG GLU 71 3HG GLU 71 4.039 -3.999 -10.703 574 HA PRO 72 HA PRO 72 6.957 -2.688 -14.729 575 1HB PRO 72 2HB PRO 72 5.934 -0.029 -14.070 576 2HB PRO 72 3HB PRO 72 5.371 -1.164 -15.300 577 1HG PRO 72 2HG PRO 72 3.929 -0.578 -13.092 578 2HG PRO 72 3HG PRO 72 3.876 -2.170 -13.872 579 1HD PRO 72 2HD PRO 72 5.391 -1.302 -11.435 580 2HD PRO 72 3HD PRO 72 4.479 -2.801 -11.719 581 H LEU 73 H LEU 73 7.741 -1.278 -11.701 582 HA LEU 73 HA LEU 73 9.765 0.488 -12.843 583 1HB LEU 73 2HB LEU 73 8.283 0.282 -10.297 584 2HB LEU 73 3HB LEU 73 9.940 0.822 -10.149 585 HG LEU 73 HG LEU 73 7.656 2.348 -10.805 586 1HD1 LEU 73 1HD1 LEU 73 10.587 3.032 -10.803 587 2HD1 LEU 73 2HD1 LEU 73 9.259 4.194 -10.741 588 3HD1 LEU 73 3HD1 LEU 73 9.500 3.062 -9.412 589 1HD2 LEU 73 1HD2 LEU 73 8.619 1.469 -13.185 590 2HD2 LEU 73 2HD2 LEU 73 7.804 3.016 -12.947 591 3HD2 LEU 73 3HD2 LEU 73 9.566 2.938 -12.959 592 H LEU 74 H LEU 74 9.428 -2.534 -11.279 593 HA LEU 74 HA LEU 74 11.783 -2.882 -9.886 594 1HB LEU 74 2HB LEU 74 9.732 -4.386 -10.109 595 2HB LEU 74 3HB LEU 74 10.454 -4.995 -11.581 596 HG LEU 74 HG LEU 74 12.308 -5.933 -10.352 597 1HD1 LEU 74 1HD1 LEU 74 11.194 -4.292 -8.150 598 2HD1 LEU 74 2HD1 LEU 74 11.919 -5.846 -7.737 599 3HD1 LEU 74 3HD1 LEU 74 12.870 -4.626 -8.582 600 1HD2 LEU 74 1HD2 LEU 74 9.523 -6.540 -9.477 601 2HD2 LEU 74 2HD2 LEU 74 10.645 -7.513 -10.428 602 3HD2 LEU 74 3HD2 LEU 74 10.866 -7.361 -8.684 603 H ALA 75 H ALA 75 11.150 -3.890 -13.217 604 HA ALA 75 HA ALA 75 13.783 -4.711 -13.733 605 1HB ALA 75 1HB ALA 75 11.290 -4.613 -15.151 606 2HB ALA 75 2HB ALA 75 12.618 -4.141 -16.212 607 3HB ALA 75 3HB ALA 75 12.666 -5.693 -15.373 608 H LYS 76 H LYS 76 12.396 -1.570 -13.798 609 HA LYS 76 HA LYS 76 14.323 -0.469 -15.646 610 1HB LYS 76 2HB LYS 76 12.628 1.231 -13.874 611 2HB LYS 76 3HB LYS 76 13.163 1.526 -15.523 612 1HG LYS 76 2HG LYS 76 11.396 -0.789 -15.143 613 2HG LYS 76 3HG LYS 76 10.681 0.791 -14.854 614 1HD LYS 76 2HD LYS 76 11.884 1.371 -17.131 615 2HD LYS 76 3HD LYS 76 11.756 -0.373 -17.370 616 1HE LYS 76 2HE LYS 76 9.482 -0.325 -17.511 617 2HE LYS 76 3HE LYS 76 9.336 1.064 -16.437 618 1HZ LYS 76 HZ1 LYS 76 10.651 1.971 -18.695 619 2HZ LYS 76 HZ2 LYS 76 9.386 0.998 -19.264 620 3HZ LYS 76 HZ3 LYS 76 9.056 2.303 -18.232 621 H SER 77 H SER 77 14.307 -1.186 -12.351 622 HA SER 77 HA SER 77 16.129 1.011 -11.714 623 1HB SER 77 2HB SER 77 14.694 -0.896 -9.856 624 2HB SER 77 3HB SER 77 15.604 0.539 -9.384 625 HG SER 77 HG SER 77 13.154 0.374 -10.790 626 H GLY 78 H GLY 78 17.152 -1.180 -13.241 627 1HA GLY 78 1HA GLY 78 18.894 -2.697 -13.262 628 2HA GLY 78 2HA GLY 78 19.620 -1.466 -12.244 629 H LEU 79 H LEU 79 17.184 -4.044 -11.796 630 HA LEU 79 HA LEU 79 18.587 -4.747 -9.313 631 1HB LEU 79 2HB LEU 79 15.756 -4.610 -10.086 632 2HB LEU 79 3HB LEU 79 16.190 -6.050 -9.185 633 HG LEU 79 HG LEU 79 16.288 -3.186 -8.304 634 1HD1 LEU 79 1HD1 LEU 79 14.499 -5.263 -7.921 635 2HD1 LEU 79 2HD1 LEU 79 15.424 -5.207 -6.421 636 3HD1 LEU 79 3HD1 LEU 79 14.586 -3.765 -6.994 637 1HD2 LEU 79 1HD2 LEU 79 18.105 -5.360 -7.514 638 2HD2 LEU 79 2HD2 LEU 79 18.292 -3.612 -7.374 639 3HD2 LEU 79 3HD2 LEU 79 17.337 -4.495 -6.184 640 H ASP 80 H ASP 80 19.205 -6.804 -8.914 641 HA ASP 80 HA ASP 80 18.571 -8.892 -10.859 642 1HB ASP 80 2HB ASP 80 21.146 -7.651 -10.591 643 2HB ASP 80 3HB ASP 80 21.263 -9.312 -10.021 644 HA PRO 81 HA PRO 81 17.767 -11.243 -7.267 645 1HB PRO 81 2HB PRO 81 18.987 -13.633 -8.491 646 2HB PRO 81 3HB PRO 81 17.305 -13.341 -8.020 647 1HG PRO 81 2HG PRO 81 18.035 -13.412 -10.593 648 2HG PRO 81 3HG PRO 81 16.794 -12.284 -10.013 649 1HD PRO 81 2HD PRO 81 19.683 -11.766 -10.636 650 2HD PRO 81 3HD PRO 81 18.256 -10.783 -11.026 651 H GLU 82 H GLU 82 20.932 -10.579 -8.021 652 HA GLU 82 HA GLU 82 21.933 -12.100 -5.715 653 1HB GLU 82 2HB GLU 82 24.202 -11.526 -6.638 654 2HB GLU 82 3HB GLU 82 23.244 -12.599 -7.647 655 1HG GLU 82 2HG GLU 82 23.641 -11.232 -9.339 656 2HG GLU 82 3HG GLU 82 22.614 -10.041 -8.543 657 H LYS 83 H LYS 83 20.328 -9.613 -5.743 658 HA LYS 83 HA LYS 83 22.276 -7.716 -4.636 659 1HB LYS 83 2HB LYS 83 19.605 -7.403 -5.939 660 2HB LYS 83 3HB LYS 83 20.137 -6.183 -4.791 661 1HG LYS 83 2HG LYS 83 21.587 -7.013 -7.298 662 2HG LYS 83 3HG LYS 83 20.667 -5.526 -7.062 663 1HD LYS 83 2HD LYS 83 22.332 -4.533 -5.924 664 2HD LYS 83 3HD LYS 83 22.736 -6.008 -5.043 665 1HE LYS 83 2HE LYS 83 23.370 -6.050 -7.911 666 2HE LYS 83 3HE LYS 83 24.290 -4.884 -6.961 667 1HZ LYS 83 HZ1 LYS 83 24.133 -7.425 -5.672 668 2HZ LYS 83 HZ2 LYS 83 24.822 -7.550 -7.213 669 3HZ LYS 83 HZ3 LYS 83 25.494 -6.497 -6.063 670 HA PRO 84 HA PRO 84 20.400 -8.732 -0.652 671 1HB PRO 84 2HB PRO 84 22.436 -7.067 0.524 672 2HB PRO 84 3HB PRO 84 22.296 -8.824 0.595 673 1HG PRO 84 2HG PRO 84 24.291 -7.492 -0.739 674 2HG PRO 84 3HG PRO 84 23.748 -9.131 -1.140 675 1HD PRO 84 2HD PRO 84 23.059 -6.528 -2.449 676 2HD PRO 84 3HD PRO 84 23.387 -8.113 -3.188 677 H VAL 85 H VAL 85 18.549 -7.533 -0.692 678 HA VAL 85 HA VAL 85 18.847 -4.619 -0.430 679 HB VAL 85 HB VAL 85 16.624 -4.472 -1.584 680 1HG1 VAL 85 1HG1 VAL 85 18.963 -4.272 -2.647 681 2HG1 VAL 85 2HG1 VAL 85 18.604 -5.846 -3.359 682 3HG1 VAL 85 3HG1 VAL 85 17.568 -4.462 -3.709 683 1HG2 VAL 85 1HG2 VAL 85 16.047 -6.892 -1.120 684 2HG2 VAL 85 2HG2 VAL 85 15.719 -6.315 -2.754 685 3HG2 VAL 85 3HG2 VAL 85 17.143 -7.309 -2.438 686 H VAL 86 H VAL 86 17.231 -3.475 0.674 687 HA VAL 86 HA VAL 86 15.606 -5.080 2.520 688 HB VAL 86 HB VAL 86 17.249 -4.199 3.960 689 1HG1 VAL 86 1HG1 VAL 86 17.045 -1.655 2.375 690 2HG1 VAL 86 2HG1 VAL 86 17.868 -1.750 3.932 691 3HG1 VAL 86 3HG1 VAL 86 18.441 -2.715 2.571 692 1HG2 VAL 86 1HG2 VAL 86 14.962 -2.231 4.011 693 2HG2 VAL 86 2HG2 VAL 86 15.019 -3.795 4.828 694 3HG2 VAL 86 3HG2 VAL 86 16.111 -2.499 5.324 695 H VAL 87 H VAL 87 13.524 -4.265 2.897 696 HA VAL 87 HA VAL 87 12.694 -2.139 1.037 697 HB VAL 87 HB VAL 87 10.370 -3.155 1.321 698 1HG1 VAL 87 1HG1 VAL 87 12.637 -4.228 -0.221 699 2HG1 VAL 87 2HG1 VAL 87 11.220 -5.276 -0.120 700 3HG1 VAL 87 3HG1 VAL 87 11.065 -3.640 -0.767 701 1HG2 VAL 87 1HG2 VAL 87 11.517 -4.654 3.277 702 2HG2 VAL 87 2HG2 VAL 87 10.011 -5.060 2.453 703 3HG2 VAL 87 3HG2 VAL 87 11.531 -5.781 1.920 704 H PHE 88 H PHE 88 11.847 -0.321 1.891 705 HA PHE 88 HA PHE 88 11.548 -0.295 4.805 706 1HB PHE 88 2HB PHE 88 13.195 1.251 3.549 707 2HB PHE 88 3HB PHE 88 11.760 2.173 3.106 708 HD1 PHE 88 HD1 PHE 88 12.812 0.479 6.278 709 HD2 PHE 88 HD2 PHE 88 11.683 4.107 4.346 710 HE1 PHE 88 HE1 PHE 88 12.829 1.636 8.439 711 HE2 PHE 88 HE2 PHE 88 11.696 5.260 6.508 712 HZ PHE 88 HZ PHE 88 12.271 4.025 8.560 713 H CYS 89 H CYS 89 9.749 0.204 5.795 714 HA CYS 89 HA CYS 89 7.601 1.746 5.011 715 1HB CYS 89 2HB CYS 89 7.207 0.190 3.183 716 2HB CYS 89 3HB CYS 89 7.307 -1.183 4.273 717 H LYS 90 H LYS 90 5.549 0.946 6.372 718 HA LYS 90 HA LYS 90 6.280 0.858 9.057 719 1HB LYS 90 2HB LYS 90 4.064 1.589 8.234 720 2HB LYS 90 3HB LYS 90 3.680 -0.075 7.819 721 1HG LYS 90 2HG LYS 90 2.774 -0.242 9.836 722 2HG LYS 90 3HG LYS 90 4.418 -0.225 10.474 723 1HD LYS 90 2HD LYS 90 3.408 2.442 9.893 724 2HD LYS 90 3HD LYS 90 2.421 1.580 11.074 725 1HE LYS 90 2HE LYS 90 4.178 1.367 12.574 726 2HE LYS 90 3HE LYS 90 5.400 1.617 11.329 727 1HZ LYS 90 HZ1 LYS 90 3.888 3.916 11.375 728 2HZ LYS 90 HZ2 LYS 90 4.137 3.523 13.002 729 3HZ LYS 90 HZ3 LYS 90 5.464 3.726 11.964 730 H THR 91 H THR 91 4.807 -1.779 7.179 731 HA THR 91 HA THR 91 6.664 -3.708 8.098 732 HB THR 91 HB THR 91 4.280 -4.923 9.008 733 HG1 THR 91 HG1 THR 91 4.752 -2.446 10.341 734 1HG2 THR 91 1HG2 THR 91 6.734 -5.197 9.707 735 2HG2 THR 91 2HG2 THR 91 6.437 -3.845 10.799 736 3HG2 THR 91 3HG2 THR 91 5.506 -5.332 10.965 737 H ALA 92 H ALA 92 3.416 -4.825 7.796 738 HA ALA 92 HA ALA 92 4.038 -5.878 5.137 739 1HB ALA 92 1HB ALA 92 2.003 -6.630 7.213 740 2HB ALA 92 2HB ALA 92 1.934 -7.250 5.563 741 3HB ALA 92 3HB ALA 92 3.337 -7.593 6.578 742 H ALA 93 H ALA 93 3.266 -3.072 5.629 743 HA ALA 93 HA ALA 93 0.591 -2.738 4.667 744 1HB ALA 93 1HB ALA 93 2.111 -1.104 6.056 745 2HB ALA 93 2HB ALA 93 2.613 -0.559 4.456 746 3HB ALA 93 3HB ALA 93 0.913 -0.481 4.920 747 H ARG 94 H ARG 94 3.806 -2.159 3.240 748 HA ARG 94 HA ARG 94 2.671 -2.789 0.610 749 1HB ARG 94 2HB ARG 94 4.354 -0.365 1.265 750 2HB ARG 94 3HB ARG 94 4.067 -0.934 -0.372 751 1HG ARG 94 2HG ARG 94 1.683 -0.471 1.310 752 2HG ARG 94 3HG ARG 94 2.592 0.951 0.798 753 1HD ARG 94 2HD ARG 94 2.360 -0.708 -1.464 754 2HD ARG 94 3HD ARG 94 0.770 -0.679 -0.703 755 HE ARG 94 HE ARG 94 1.841 1.940 -0.880 756 1HH1 ARG 94 1HH1 ARG 94 0.373 -0.569 -2.831 757 2HH1 ARG 94 2HH1 ARG 94 -0.270 0.542 -3.996 758 1HH2 ARG 94 1HH2 ARG 94 0.984 3.417 -2.417 759 2HH2 ARG 94 2HH2 ARG 94 0.071 2.799 -3.760 760 H ALA 95 H ALA 95 5.630 -2.178 2.460 761 HA ALA 95 HA ALA 95 7.517 -3.047 0.679 762 1HB ALA 95 1HB ALA 95 7.472 -2.302 3.378 763 2HB ALA 95 2HB ALA 95 8.310 -3.854 3.313 764 3HB ALA 95 3HB ALA 95 8.882 -2.501 2.336 765 H ALA 96 H ALA 96 5.580 -5.047 2.832 766 HA ALA 96 HA ALA 96 6.997 -7.422 2.693 767 1HB ALA 96 1HB ALA 96 4.708 -6.633 3.906 768 2HB ALA 96 2HB ALA 96 4.078 -7.722 2.670 769 3HB ALA 96 3HB ALA 96 5.274 -8.300 3.829 770 H LEU 97 H LEU 97 4.672 -6.064 0.412 771 HA LEU 97 HA LEU 97 4.440 -8.410 -1.178 772 1HB LEU 97 2HB LEU 97 3.536 -5.626 -1.351 773 2HB LEU 97 3HB LEU 97 3.883 -6.350 -2.914 774 HG LEU 97 HG LEU 97 1.498 -6.529 -2.201 775 1HD1 LEU 97 1HD1 LEU 97 2.612 -8.080 -3.817 776 2HD1 LEU 97 2HD1 LEU 97 2.839 -9.210 -2.483 777 3HD1 LEU 97 3HD1 LEU 97 1.210 -8.756 -2.988 778 1HD2 LEU 97 1HD2 LEU 97 2.236 -7.004 0.244 779 2HD2 LEU 97 2HD2 LEU 97 0.804 -7.805 -0.405 780 3HD2 LEU 97 3HD2 LEU 97 2.332 -8.680 -0.299 781 H ALA 98 H ALA 98 6.631 -5.663 -1.233 782 HA ALA 98 HA ALA 98 7.805 -6.362 -3.747 783 1HB ALA 98 1HB ALA 98 8.769 -4.531 -1.550 784 2HB ALA 98 2HB ALA 98 9.528 -4.695 -3.134 785 3HB ALA 98 3HB ALA 98 7.884 -4.068 -3.006 786 H GLY 99 H GLY 99 8.903 -6.557 -0.378 787 1HA GLY 99 1HA GLY 99 11.344 -7.826 -0.963 788 2HA GLY 99 2HA GLY 99 10.574 -7.778 0.612 789 H LYS 100 H LYS 100 8.385 -9.276 0.410 790 HA LYS 100 HA LYS 100 9.482 -11.821 0.610 791 1HB LYS 100 2HB LYS 100 7.459 -12.490 1.440 792 2HB LYS 100 3HB LYS 100 7.252 -10.750 1.574 793 1HG LYS 100 2HG LYS 100 5.334 -11.059 0.500 794 2HG LYS 100 3HG LYS 100 6.310 -11.280 -0.953 795 1HD LYS 100 2HD LYS 100 6.402 -13.724 -0.410 796 2HD LYS 100 3HD LYS 100 5.243 -13.419 0.886 797 1HE LYS 100 2HE LYS 100 3.861 -14.064 -0.847 798 2HE LYS 100 3HE LYS 100 3.834 -12.307 -0.991 799 1HZ LYS 100 HZ1 LYS 100 5.666 -14.046 -2.552 800 2HZ LYS 100 HZ2 LYS 100 4.150 -13.546 -3.118 801 3HZ LYS 100 HZ3 LYS 100 5.349 -12.395 -2.794 802 H THR 101 H THR 101 7.737 -10.345 -2.056 803 HA THR 101 HA THR 101 7.484 -12.742 -3.563 804 HB THR 101 HB THR 101 7.393 -9.913 -4.617 805 HG1 THR 101 HG1 THR 101 5.644 -9.691 -3.459 806 1HG2 THR 101 1HG2 THR 101 7.297 -12.158 -6.068 807 2HG2 THR 101 2HG2 THR 101 5.603 -12.073 -5.582 808 3HG2 THR 101 3HG2 THR 101 6.338 -10.729 -6.460 809 H LEU 102 H LEU 102 9.858 -10.105 -3.537 810 HA LEU 102 HA LEU 102 11.256 -10.905 -5.850 811 1HB LEU 102 2HB LEU 102 11.840 -9.152 -3.522 812 2HB LEU 102 3HB LEU 102 13.191 -9.668 -4.512 813 HG LEU 102 HG LEU 102 10.783 -8.099 -5.431 814 1HD1 LEU 102 1HD1 LEU 102 13.697 -7.406 -5.115 815 2HD1 LEU 102 2HD1 LEU 102 12.521 -6.395 -5.957 816 3HD1 LEU 102 3HD1 LEU 102 12.330 -6.723 -4.235 817 1HD2 LEU 102 1HD2 LEU 102 12.282 -9.893 -6.936 818 2HD2 LEU 102 2HD2 LEU 102 11.237 -8.611 -7.548 819 3HD2 LEU 102 3HD2 LEU 102 12.960 -8.311 -7.321 820 H ARG 103 H ARG 103 11.859 -11.604 -2.407 821 HA ARG 103 HA ARG 103 14.181 -13.151 -2.832 822 1HB ARG 103 2HB ARG 103 13.933 -13.899 -0.559 823 2HB ARG 103 3HB ARG 103 13.503 -12.196 -0.636 824 1HG ARG 103 2HG ARG 103 11.184 -12.693 -0.481 825 2HG ARG 103 3HG ARG 103 11.481 -14.420 -0.685 826 1HD ARG 103 2HD ARG 103 12.414 -12.735 1.635 827 2HD ARG 103 3HD ARG 103 11.023 -13.818 1.653 828 HE ARG 103 HE ARG 103 13.830 -14.690 1.348 829 1HH1 ARG 103 1HH1 ARG 103 10.526 -15.253 2.403 830 2HH1 ARG 103 2HH1 ARG 103 10.886 -16.792 3.117 831 1HH2 ARG 103 1HH2 ARG 103 14.298 -16.708 2.294 832 2HH2 ARG 103 2HH2 ARG 103 13.038 -17.623 3.055 833 H GLU 104 H GLU 104 10.827 -13.849 -3.110 834 HA GLU 104 HA GLU 104 10.933 -16.682 -2.992 835 1HB GLU 104 2HB GLU 104 8.956 -14.618 -3.720 836 2HB GLU 104 3HB GLU 104 8.721 -16.191 -4.468 837 1HG GLU 104 2HG GLU 104 9.016 -17.076 -2.036 838 2HG GLU 104 3HG GLU 104 8.599 -15.420 -1.593 839 H TYR 105 H TYR 105 12.227 -14.630 -5.264 840 HA TYR 105 HA TYR 105 11.823 -16.595 -7.418 841 1HB TYR 105 HB2 TYR 105 12.547 -13.668 -7.649 842 2HB TYR 105 HB3 TYR 105 12.402 -14.788 -9.002 843 HD1 TYR 105 HD1 TYR 105 9.996 -16.312 -7.948 844 HD2 TYR 105 HD2 TYR 105 10.805 -12.152 -8.260 845 HE1 TYR 105 HE1 TYR 105 7.585 -15.865 -8.058 846 HE2 TYR 105 HE2 TYR 105 8.393 -11.691 -8.376 847 HH TYR 105 HH TYR 105 6.155 -13.725 -9.156 848 H GLY 106 H GLY 106 14.028 -15.575 -5.162 849 1HA GLY 106 1HA GLY 106 16.014 -17.043 -5.131 850 2HA GLY 106 2HA GLY 106 16.237 -16.626 -6.822 851 H PHE 107 H PHE 107 15.329 -14.301 -4.369 852 HA PHE 107 HA PHE 107 17.708 -12.759 -4.934 853 1HB PHE 107 2HB PHE 107 15.118 -12.281 -3.626 854 2HB PHE 107 3HB PHE 107 16.475 -11.471 -2.852 855 HD1 PHE 107 HD1 PHE 107 15.134 -12.058 -6.282 856 HD2 PHE 107 HD2 PHE 107 16.985 -9.359 -3.565 857 HE1 PHE 107 HE1 PHE 107 15.033 -10.280 -7.983 858 HE2 PHE 107 HE2 PHE 107 16.885 -7.575 -5.258 859 HZ PHE 107 HZ PHE 107 15.907 -8.036 -7.470 860 H LYS 108 H LYS 108 19.375 -12.373 -3.530 861 HA LYS 108 HA LYS 108 20.108 -14.460 -1.820 862 1HB LYS 108 2HB LYS 108 21.398 -12.351 -3.005 863 2HB LYS 108 3HB LYS 108 21.455 -11.901 -1.306 864 1HG LYS 108 2HG LYS 108 22.265 -14.388 -1.016 865 2HG LYS 108 3HG LYS 108 22.726 -14.193 -2.708 866 1HD LYS 108 2HD LYS 108 23.717 -11.909 -1.724 867 2HD LYS 108 3HD LYS 108 23.824 -12.912 -0.277 868 1HE LYS 108 2HE LYS 108 25.226 -14.481 -1.348 869 2HE LYS 108 3HE LYS 108 24.871 -13.821 -2.943 870 1HZ LYS 108 HZ1 LYS 108 26.264 -12.259 -0.845 871 2HZ LYS 108 HZ2 LYS 108 27.091 -13.221 -1.965 872 3HZ LYS 108 HZ3 LYS 108 26.152 -11.915 -2.502 873 H THR 109 H THR 109 20.232 -11.195 -0.524 874 HA THR 109 HA THR 109 18.806 -12.188 1.847 875 HB THR 109 HB THR 109 20.500 -9.838 2.245 876 HG1 THR 109 HG1 THR 109 21.796 -12.319 1.668 877 1HG2 THR 109 1HG2 THR 109 19.768 -12.349 3.595 878 2HG2 THR 109 2HG2 THR 109 21.402 -11.770 3.922 879 3HG2 THR 109 3HG2 THR 109 20.014 -10.734 4.257 880 H ILE 110 H ILE 110 16.915 -11.269 2.229 881 HA ILE 110 HA ILE 110 16.498 -8.499 1.349 882 HB ILE 110 HB ILE 110 15.313 -10.539 0.108 883 1HG1 ILE 110 2HG1 ILE 110 13.447 -8.295 0.526 884 2HG1 ILE 110 3HG1 ILE 110 15.080 -7.851 0.035 885 1HG2 ILE 110 1HG2 ILE 110 14.149 -10.886 2.528 886 2HG2 ILE 110 2HG2 ILE 110 12.961 -9.860 1.722 887 3HG2 ILE 110 3HG2 ILE 110 13.441 -11.394 0.993 888 1HD1 ILE 110 1HD1 ILE 110 13.396 -9.874 -1.424 889 2HD1 ILE 110 2HD1 ILE 110 13.453 -8.157 -1.836 890 3HD1 ILE 110 3HD1 ILE 110 14.912 -9.143 -1.955 891 H TYR 111 H TYR 111 15.801 -7.130 2.840 892 HA TYR 111 HA TYR 111 14.909 -8.227 5.434 893 1HB TYR 111 HB2 TYR 111 16.168 -5.510 5.173 894 2HB TYR 111 HB3 TYR 111 16.088 -6.560 6.578 895 HD1 TYR 111 HD1 TYR 111 17.771 -6.119 3.289 896 HD2 TYR 111 HD2 TYR 111 17.873 -7.987 7.115 897 HE1 TYR 111 HE1 TYR 111 20.077 -6.854 2.864 898 HE2 TYR 111 HE2 TYR 111 20.181 -8.722 6.695 899 HH TYR 111 HH TYR 111 21.725 -9.082 4.949 900 H ASN 112 H ASN 112 13.370 -6.958 6.636 901 HA ASN 112 HA ASN 112 12.072 -4.780 5.160 902 1HB ASN 112 2HB ASN 112 10.695 -6.955 5.026 903 2HB ASN 112 3HB ASN 112 10.432 -6.761 6.754 904 1HD2 ASN 112 1HD2 ASN 112 8.248 -6.850 5.241 905 2HD2 ASN 112 2HD2 ASN 112 7.530 -5.279 5.088 906 H SER 113 H SER 113 10.948 -3.294 6.651 907 HA SER 113 HA SER 113 12.579 -2.947 8.986 908 1HB SER 113 2HB SER 113 12.242 -0.844 8.266 909 2HB SER 113 3HB SER 113 10.819 -1.304 7.337 910 HG SER 113 HG SER 113 9.547 -0.817 8.981 911 H GLU 114 H GLU 114 12.026 -3.073 11.078 912 HA GLU 114 HA GLU 114 9.430 -4.294 11.724 913 1HB GLU 114 2HB GLU 114 12.112 -4.676 12.705 914 2HB GLU 114 3HB GLU 114 11.056 -4.202 14.029 915 1HG GLU 114 2HG GLU 114 9.938 -6.252 12.269 916 2HG GLU 114 3HG GLU 114 11.399 -6.739 13.124 917 H GLY 115 H GLY 115 10.175 -1.386 11.205 918 1HA GLY 115 1HA GLY 115 8.963 -0.326 13.680 919 2HA GLY 115 2HA GLY 115 10.294 0.501 12.882 920 H GLY 116 H GLY 116 9.920 1.179 10.628 921 1HA GLY 116 1HA GLY 116 7.762 1.281 9.108 922 2HA GLY 116 2HA GLY 116 7.260 2.346 10.414 923 H MET 117 H MET 117 7.269 3.505 8.059 924 HA MET 117 HA MET 117 9.724 4.669 7.227 925 1HB MET 117 2HB MET 117 7.938 4.702 5.663 926 2HB MET 117 3HB MET 117 6.824 5.400 6.829 927 1HG MET 117 2HG MET 117 7.709 7.523 6.606 928 2HG MET 117 3HG MET 117 9.240 6.926 5.965 929 1HE MET 117 1HE MET 117 9.064 5.261 3.854 930 2HE MET 117 2HE MET 117 8.433 5.951 2.358 931 3HE MET 117 3HE MET 117 9.699 6.793 3.253 932 H ASP 118 H ASP 118 7.258 5.515 9.545 933 HA ASP 118 HA ASP 118 8.149 8.110 10.191 934 1HB ASP 118 2HB ASP 118 6.644 8.009 12.004 935 2HB ASP 118 3HB ASP 118 5.911 6.985 10.773 936 H LYS 119 H LYS 119 9.240 4.913 11.131 937 HA LYS 119 HA LYS 119 10.608 5.695 13.474 938 1HB LYS 119 2HB LYS 119 10.188 3.285 11.964 939 2HB LYS 119 3HB LYS 119 11.891 3.434 12.380 940 1HG LYS 119 2HG LYS 119 10.823 2.197 14.106 941 2HG LYS 119 3HG LYS 119 11.204 3.795 14.750 942 1HD LYS 119 2HD LYS 119 8.642 3.997 13.616 943 2HD LYS 119 3HD LYS 119 8.661 2.480 14.518 944 1HE LYS 119 2HE LYS 119 9.020 3.525 16.531 945 2HE LYS 119 3HE LYS 119 9.789 4.926 15.790 946 1HZ LYS 119 HZ1 LYS 119 7.412 5.290 14.813 947 2HZ LYS 119 HZ2 LYS 119 6.934 4.338 16.135 948 3HZ LYS 119 HZ3 LYS 119 7.777 5.787 16.396 949 H TRP 120 H TRP 120 11.450 5.651 10.082 950 HA TRP 120 HA TRP 120 14.238 5.942 10.285 951 1HB TRP 120 HB2 TRP 120 12.751 5.634 8.186 952 2HB TRP 120 HB3 TRP 120 12.587 7.387 8.221 953 HD1 TRP 120 HD1 TRP 120 14.603 8.807 7.387 954 HE1 TRP 120 HE1 TRP 120 16.845 8.258 6.253 955 HE3 TRP 120 HE3 TRP 120 14.629 3.744 8.074 956 HZ2 TRP 120 HZ2 TRP 120 18.400 5.970 5.696 957 HZ3 TRP 120 HZ3 TRP 120 16.526 2.442 7.195 958 HH2 TRP 120 HH2 TRP 120 18.370 3.535 6.030 959 H LEU 121 H LEU 121 11.662 8.414 10.109 960 HA LEU 121 HA LEU 121 13.346 10.627 10.550 961 1HB LEU 121 2HB LEU 121 10.503 10.075 10.301 962 2HB LEU 121 3HB LEU 121 10.819 11.298 11.515 963 HG LEU 121 HG LEU 121 11.428 11.399 8.568 964 1HD1 LEU 121 1HD1 LEU 121 9.207 12.107 9.766 965 2HD1 LEU 121 2HD1 LEU 121 10.140 13.548 10.171 966 3HD1 LEU 121 3HD1 LEU 121 9.904 13.096 8.483 967 1HD2 LEU 121 1HD2 LEU 121 13.024 12.492 10.672 968 2HD2 LEU 121 2HD2 LEU 121 13.220 12.661 8.927 969 3HD2 LEU 121 3HD2 LEU 121 12.216 13.807 9.816 970 H GLU 122 H GLU 122 11.425 8.582 12.725 971 HA GLU 122 HA GLU 122 11.742 10.199 15.014 972 1HB GLU 122 2HB GLU 122 10.171 8.103 14.433 973 2HB GLU 122 3HB GLU 122 11.396 7.276 15.386 974 1HG GLU 122 2HG GLU 122 10.997 9.090 17.140 975 2HG GLU 122 3HG GLU 122 9.541 9.473 16.225 976 H GLU 123 H GLU 123 13.558 7.374 13.878 977 HA GLU 123 HA GLU 123 15.219 7.194 16.174 978 1HB GLU 123 2HB GLU 123 15.582 6.125 13.371 979 2HB GLU 123 3HB GLU 123 16.630 5.721 14.725 980 1HG GLU 123 2HG GLU 123 14.543 4.905 15.910 981 2HG GLU 123 3HG GLU 123 13.732 5.036 14.352 982 H GLY 124 H GLY 124 15.206 9.285 13.487 983 1HA GLY 124 1HA GLY 124 16.452 11.271 13.408 984 2HA GLY 124 2HA GLY 124 17.620 10.557 14.510 985 H LEU 125 H LEU 125 16.575 8.786 11.722 986 HA LEU 125 HA LEU 125 19.280 8.717 10.746 987 1HB LEU 125 2HB LEU 125 16.734 7.490 9.686 988 2HB LEU 125 3HB LEU 125 18.328 7.198 9.015 989 HG LEU 125 HG LEU 125 17.448 6.480 11.814 990 1HD1 LEU 125 1HD1 LEU 125 17.108 5.162 9.304 991 2HD1 LEU 125 2HD1 LEU 125 18.201 4.222 10.324 992 3HD1 LEU 125 3HD1 LEU 125 16.596 4.652 10.915 993 1HD2 LEU 125 1HD2 LEU 125 20.051 6.800 10.673 994 2HD2 LEU 125 2HD2 LEU 125 19.605 6.300 12.305 995 3HD2 LEU 125 3HD2 LEU 125 19.776 5.095 11.029 996 HA PRO 126 HA PRO 126 19.284 11.952 7.792 997 1HB PRO 126 2HB PRO 126 20.341 10.639 5.585 998 2HB PRO 126 3HB PRO 126 21.287 11.331 6.906 999 1HG PRO 126 2HG PRO 126 20.403 8.504 6.480 1000 2HG PRO 126 3HG PRO 126 21.964 9.117 7.067 1001 1HD PRO 126 2HD PRO 126 20.176 8.115 8.768 1002 2HD PRO 126 3HD PRO 126 21.123 9.556 9.201 1003 H SER 127 H SER 127 17.521 12.723 6.878 1004 HA SER 127 HA SER 127 16.097 11.078 4.914 1005 1HB SER 127 2HB SER 127 14.151 12.662 6.118 1006 2HB SER 127 3HB SER 127 14.400 10.936 6.389 1007 HG SER 127 HG SER 127 15.766 11.460 8.131 1008 H LEU 128 H LEU 128 14.833 12.313 3.391 1009 HA LEU 128 HA LEU 128 15.892 15.029 2.981 1010 1HB LEU 128 2HB LEU 128 14.906 12.966 1.015 1011 2HB LEU 128 3HB LEU 128 15.207 14.637 0.579 1012 HG LEU 128 HG LEU 128 17.469 13.302 1.902 1013 1HD1 LEU 128 1HD1 LEU 128 16.222 12.222 -0.574 1014 2HD1 LEU 128 2HD1 LEU 128 17.983 12.293 -0.477 1015 3HD1 LEU 128 3HD1 LEU 128 17.069 11.381 0.725 1016 1HD2 LEU 128 1HD2 LEU 128 16.923 15.328 -0.148 1017 2HD2 LEU 128 2HD2 LEU 128 18.226 15.233 1.036 1018 3HD2 LEU 128 3HD2 LEU 128 18.330 14.317 -0.466 1019 H ASP 129 H ASP 129 14.431 16.322 3.903 1020 HA ASP 129 HA ASP 129 11.679 16.210 2.880 1021 1HB ASP 129 2HB ASP 129 11.282 15.422 5.044 1022 2HB ASP 129 3HB ASP 129 12.597 16.364 5.735 1023 H ARG 130 H ARG 130 10.954 18.146 2.155 1024 HA ARG 130 HA ARG 130 10.845 20.334 1.624 1025 1HB ARG 130 2HB ARG 130 11.823 20.369 4.303 1026 2HB ARG 130 3HB ARG 130 12.660 21.617 3.390 1027 1HG ARG 130 2HG ARG 130 10.890 22.933 3.516 1028 2HG ARG 130 3HG ARG 130 9.888 21.707 2.738 1029 1HD ARG 130 2HD ARG 130 10.545 21.760 5.677 1030 2HD ARG 130 3HD ARG 130 9.067 22.421 4.978 1031 HE ARG 130 HE ARG 130 9.805 19.584 5.166 1032 1HH1 ARG 130 1HH1 ARG 130 7.451 22.037 4.287 1033 2HH1 ARG 130 2HH1 ARG 130 6.137 20.907 4.152 1034 1HH2 ARG 130 1HH2 ARG 130 8.095 18.099 4.943 1035 2HH2 ARG 130 2HH2 ARG 130 6.507 18.672 4.507 1036 H SER 131 H SER 131 14.162 19.462 2.548 1037 HA SER 131 HA SER 131 16.164 19.698 1.529 1038 1HB SER 131 2HB SER 131 14.796 20.197 -1.103 1039 2HB SER 131 3HB SER 131 16.309 19.346 -0.782 1040 HG SER 131 HG SER 131 13.763 18.431 0.068 1041 H HIS 132 H HIS 132 16.462 21.630 2.713 1042 HA HIS 132 HA HIS 132 15.661 24.171 1.806 1043 1HB HIS 132 2HB HIS 132 17.403 23.091 3.898 1044 2HB HIS 132 3HB HIS 132 17.932 24.657 3.293 1045 HD1 HIS 132 HD1 HIS 132 15.926 23.293 5.861 1046 HD2 HIS 132 HD2 HIS 132 15.490 26.516 3.261 1047 HE1 HIS 132 HE1 HIS 132 14.222 24.801 6.928 1048 HE2 HIS 132 HE2 HIS 132 13.891 26.688 5.292 1049 H HIS 133 H HIS 133 18.883 22.660 1.693 1050 HA HIS 133 HA HIS 133 19.371 23.540 -0.959 1051 1HB HIS 133 2HB HIS 133 20.162 25.319 1.195 1052 2HB HIS 133 3HB HIS 133 21.559 24.776 0.271 1053 HD1 HIS 133 HD1 HIS 133 20.663 24.845 -2.568 1054 HD2 HIS 133 HD2 HIS 133 19.459 27.714 0.195 1055 HE1 HIS 133 HE1 HIS 133 19.988 26.854 -3.923 1056 HE2 HIS 133 HE2 HIS 133 19.355 28.610 -2.230 1057 H HIS 134 H HIS 134 20.694 22.091 -1.835 1058 HA HIS 134 HA HIS 134 22.400 20.513 -0.025 1059 1HB HIS 134 2HB HIS 134 20.476 19.457 -1.489 1060 2HB HIS 134 3HB HIS 134 21.682 19.560 -2.767 1061 HD1 HIS 134 HD1 HIS 134 23.333 18.902 0.398 1062 HD2 HIS 134 HD2 HIS 134 21.405 16.626 -2.509 1063 HE1 HIS 134 HE1 HIS 134 24.054 16.527 0.798 1064 HE2 HIS 134 HE2 HIS 134 23.035 15.202 -1.086 1065 H HIS 135 H HIS 135 22.304 22.594 -2.758 1066 HA HIS 135 HA HIS 135 25.225 22.461 -2.902 1067 1HB HIS 135 2HB HIS 135 23.362 21.819 -5.070 1068 2HB HIS 135 3HB HIS 135 24.521 23.073 -5.505 1069 HD1 HIS 135 HD1 HIS 135 26.674 22.227 -6.400 1070 HD2 HIS 135 HD2 HIS 135 24.801 19.438 -3.935 1071 HE1 HIS 135 HE1 HIS 135 28.108 20.161 -6.488 1072 HE2 HIS 135 HE2 HIS 135 27.006 18.512 -4.933 1073 H HIS 136 H HIS 136 26.218 24.402 -3.362 1074 HA HIS 136 HA HIS 136 24.454 26.771 -3.307 1075 1HB HIS 136 2HB HIS 136 26.658 26.076 -1.675 1076 2HB HIS 136 3HB HIS 136 27.210 27.382 -2.719 1077 HD1 HIS 136 HD1 HIS 136 24.372 26.630 -0.302 1078 HD2 HIS 136 HD2 HIS 136 26.479 29.857 -1.873 1079 HE1 HIS 136 HE1 HIS 136 23.539 28.652 0.933 1080 HE2 HIS 136 HE2 HIS 136 25.004 30.541 0.141 1081 H HIS 137 H HIS 137 26.571 24.934 -5.105 1082 HA HIS 137 HA HIS 137 26.568 26.797 -7.307 1083 1HB HIS 137 2HB HIS 137 28.586 27.533 -6.178 1084 2HB HIS 137 3HB HIS 137 29.131 25.873 -5.975 1085 HD1 HIS 137 HD1 HIS 137 30.422 24.823 -7.889 1086 HD2 HIS 137 HD2 HIS 137 28.828 28.545 -8.836 1087 HE1 HIS 137 HE1 HIS 137 31.497 25.489 -10.063 1088 HE2 HIS 137 HE2 HIS 137 30.641 27.815 -10.530 1089 1H ALA 1 H1 ALA 1 20.043 -6.961 -13.237 1090 2H ALA 1 H2 ALA 1 20.580 -5.552 -12.465 1091 3H ALA 1 H3 ALA 1 19.466 -5.445 -13.743 1092 HA ALA 1 HA ALA 1 21.576 -4.812 -14.578 1093 1HB ALA 1 1HB ALA 1 22.910 -5.876 -12.810 1094 2HB ALA 1 2HB ALA 1 22.587 -7.452 -13.531 1095 3HB ALA 1 3HB ALA 1 23.523 -6.251 -14.420 1096 H ASP 2 H ASP 2 20.519 -8.214 -14.606 1097 HA ASP 2 HA ASP 2 19.964 -7.987 -17.450 1098 1HB ASP 2 2HB ASP 2 21.848 -8.982 -18.139 1099 2HB ASP 2 3HB ASP 2 22.373 -9.220 -16.478 1100 H MET 3 H MET 3 19.913 -9.894 -14.492 1101 HA MET 3 HA MET 3 17.958 -11.733 -15.555 1102 1HB MET 3 2HB MET 3 19.625 -11.544 -13.177 1103 2HB MET 3 3HB MET 3 17.992 -12.087 -12.813 1104 1HG MET 3 2HG MET 3 18.644 -13.568 -15.024 1105 2HG MET 3 3HG MET 3 20.173 -13.466 -14.152 1106 1HE MET 3 1HE MET 3 20.805 -15.351 -13.197 1107 2HE MET 3 2HE MET 3 19.890 -16.507 -12.230 1108 3HE MET 3 3HE MET 3 19.694 -16.474 -13.982 1109 H GLY 4 H GLY 4 17.811 -8.638 -14.524 1110 1HA GLY 4 1HA GLY 4 15.614 -8.456 -12.821 1111 2HA GLY 4 2HA GLY 4 16.072 -7.226 -13.989 1112 H GLU 5 H GLU 5 15.747 -9.161 -16.184 1113 HA GLU 5 HA GLU 5 12.959 -8.716 -16.747 1114 1HB GLU 5 2HB GLU 5 15.331 -9.602 -18.208 1115 2HB GLU 5 3HB GLU 5 13.877 -10.477 -18.671 1116 1HG GLU 5 2HG GLU 5 13.727 -7.521 -18.488 1117 2HG GLU 5 3HG GLU 5 14.597 -8.228 -19.849 1118 H LYS 6 H LYS 6 14.952 -11.388 -15.747 1119 HA LYS 6 HA LYS 6 13.192 -13.468 -16.337 1120 1HB LYS 6 2HB LYS 6 15.057 -14.574 -15.864 1121 2HB LYS 6 3HB LYS 6 15.744 -13.159 -15.086 1122 1HG LYS 6 2HG LYS 6 15.831 -14.559 -13.332 1123 2HG LYS 6 3HG LYS 6 14.174 -14.003 -13.099 1124 1HD LYS 6 2HD LYS 6 14.031 -16.335 -12.930 1125 2HD LYS 6 3HD LYS 6 13.496 -15.982 -14.574 1126 1HE LYS 6 2HE LYS 6 15.946 -16.390 -15.236 1127 2HE LYS 6 3HE LYS 6 16.107 -17.138 -13.648 1128 1HZ LYS 6 HZ1 LYS 6 13.912 -17.980 -15.414 1129 2HZ LYS 6 HZ2 LYS 6 15.480 -18.564 -15.706 1130 3HZ LYS 6 HZ3 LYS 6 14.724 -18.859 -14.213 1131 H PHE 7 H PHE 7 13.620 -11.711 -13.233 1132 HA PHE 7 HA PHE 7 11.502 -13.310 -12.090 1133 1HB PHE 7 2HB PHE 7 11.847 -11.911 -10.039 1134 2HB PHE 7 3HB PHE 7 13.267 -12.788 -10.581 1135 HD1 PHE 7 HD1 PHE 7 11.670 -9.427 -10.792 1136 HD2 PHE 7 HD2 PHE 7 15.280 -11.683 -10.785 1137 HE1 PHE 7 HE1 PHE 7 12.970 -7.341 -10.723 1138 HE2 PHE 7 HE2 PHE 7 16.584 -9.598 -10.718 1139 HZ PHE 7 HZ PHE 7 15.427 -7.424 -10.686 1140 H ASP 8 H ASP 8 11.783 -10.261 -13.633 1141 HA ASP 8 HA ASP 8 9.646 -8.839 -12.603 1142 1HB ASP 8 2HB ASP 8 10.882 -7.595 -14.108 1143 2HB ASP 8 3HB ASP 8 10.962 -8.901 -15.286 1144 H ALA 9 H ALA 9 9.575 -11.203 -15.281 1145 HA ALA 9 HA ALA 9 6.821 -11.039 -15.792 1146 1HB ALA 9 1HB ALA 9 9.035 -12.617 -16.667 1147 2HB ALA 9 2HB ALA 9 7.658 -13.668 -16.344 1148 3HB ALA 9 3HB ALA 9 7.495 -12.320 -17.471 1149 H THR 10 H THR 10 8.675 -13.168 -13.639 1150 HA THR 10 HA THR 10 6.531 -14.774 -12.789 1151 HB THR 10 HB THR 10 8.559 -14.288 -10.737 1152 HG1 THR 10 HG1 THR 10 9.614 -15.495 -13.034 1153 1HG2 THR 10 1HG2 THR 10 7.432 -16.604 -12.268 1154 2HG2 THR 10 2HG2 THR 10 8.912 -16.806 -11.332 1155 3HG2 THR 10 3HG2 THR 10 7.424 -16.302 -10.529 1156 H PHE 11 H PHE 11 7.868 -11.753 -11.499 1157 HA PHE 11 HA PHE 11 6.320 -11.504 -9.197 1158 1HB PHE 11 2HB PHE 11 8.277 -10.026 -10.191 1159 2HB PHE 11 3HB PHE 11 6.946 -9.084 -10.852 1160 HD1 PHE 11 HD1 PHE 11 5.060 -8.502 -9.079 1161 HD2 PHE 11 HD2 PHE 11 9.111 -9.427 -8.145 1162 HE1 PHE 11 HE1 PHE 11 4.832 -7.328 -6.926 1163 HE2 PHE 11 HE2 PHE 11 8.887 -8.259 -5.993 1164 HZ PHE 11 HZ PHE 11 6.747 -7.211 -5.381 1165 H LYS 12 H LYS 12 5.638 -10.602 -12.522 1166 HA LYS 12 HA LYS 12 3.185 -9.297 -12.092 1167 1HB LYS 12 2HB LYS 12 4.838 -10.179 -14.292 1168 2HB LYS 12 3HB LYS 12 3.140 -10.430 -14.629 1169 1HG LYS 12 2HG LYS 12 3.354 -8.315 -15.413 1170 2HG LYS 12 3HG LYS 12 2.972 -7.947 -13.729 1171 1HD LYS 12 2HD LYS 12 4.978 -7.036 -13.381 1172 2HD LYS 12 3HD LYS 12 5.806 -8.408 -14.121 1173 1HE LYS 12 2HE LYS 12 5.892 -7.423 -16.172 1174 2HE LYS 12 3HE LYS 12 4.399 -6.518 -15.920 1175 1HZ LYS 12 HZ1 LYS 12 5.592 -5.047 -14.415 1176 2HZ LYS 12 HZ2 LYS 12 7.032 -5.910 -14.684 1177 3HZ LYS 12 HZ3 LYS 12 6.308 -5.054 -15.953 1178 H ALA 13 H ALA 13 4.066 -12.647 -12.324 1179 HA ALA 13 HA ALA 13 1.425 -13.620 -12.901 1180 1HB ALA 13 1HB ALA 13 4.073 -14.779 -12.482 1181 2HB ALA 13 2HB ALA 13 2.759 -15.754 -11.825 1182 3HB ALA 13 3HB ALA 13 2.756 -15.304 -13.530 1183 H GLN 14 H GLN 14 3.410 -13.215 -10.011 1184 HA GLN 14 HA GLN 14 1.537 -14.438 -8.233 1185 1HB GLN 14 2HB GLN 14 4.055 -12.890 -7.972 1186 2HB GLN 14 3HB GLN 14 2.976 -12.876 -6.584 1187 1HG GLN 14 2HG GLN 14 2.991 -15.500 -7.127 1188 2HG GLN 14 3HG GLN 14 4.596 -15.060 -7.704 1189 1HE2 GLN 14 1HE2 GLN 14 5.931 -15.770 -6.180 1190 2HE2 GLN 14 2HE2 GLN 14 5.822 -15.404 -4.486 1191 H VAL 15 H VAL 15 2.410 -11.071 -8.936 1192 HA VAL 15 HA VAL 15 0.559 -9.887 -7.211 1193 HB VAL 15 HB VAL 15 2.475 -8.988 -9.088 1194 1HG1 VAL 15 1HG1 VAL 15 -0.228 -7.753 -9.530 1195 2HG1 VAL 15 2HG1 VAL 15 1.282 -6.938 -9.932 1196 3HG1 VAL 15 3HG1 VAL 15 0.860 -8.455 -10.728 1197 1HG2 VAL 15 1HG2 VAL 15 1.414 -8.271 -6.598 1198 2HG2 VAL 15 2HG2 VAL 15 2.835 -7.597 -7.397 1199 3HG2 VAL 15 3HG2 VAL 15 1.256 -6.842 -7.621 1200 H LYS 16 H LYS 16 0.155 -11.079 -10.488 1201 HA LYS 16 HA LYS 16 -2.379 -9.903 -10.999 1202 1HB LYS 16 2HB LYS 16 -0.578 -11.370 -12.461 1203 2HB LYS 16 3HB LYS 16 -1.893 -12.517 -12.237 1204 1HG LYS 16 2HG LYS 16 -3.298 -10.347 -12.967 1205 2HG LYS 16 3HG LYS 16 -1.785 -10.041 -13.824 1206 1HD LYS 16 2HD LYS 16 -3.418 -12.576 -13.995 1207 2HD LYS 16 3HD LYS 16 -3.392 -11.290 -15.204 1208 1HE LYS 16 2HE LYS 16 -0.723 -11.878 -14.834 1209 2HE LYS 16 3HE LYS 16 -1.503 -13.456 -14.731 1210 1HZ LYS 16 HZ1 LYS 16 -2.688 -12.744 -16.861 1211 2HZ LYS 16 HZ2 LYS 16 -1.498 -11.543 -16.983 1212 3HZ LYS 16 HZ3 LYS 16 -1.051 -13.178 -16.977 1213 H ALA 17 H ALA 17 -1.374 -12.970 -9.569 1214 HA ALA 17 HA ALA 17 -3.914 -14.172 -9.450 1215 1HB ALA 17 1HB ALA 17 -1.379 -14.992 -8.915 1216 2HB ALA 17 2HB ALA 17 -2.060 -14.890 -7.292 1217 3HB ALA 17 3HB ALA 17 -2.834 -15.902 -8.511 1218 H ALA 18 H ALA 18 -2.391 -11.794 -7.445 1219 HA ALA 18 HA ALA 18 -3.845 -12.161 -5.074 1220 1HB ALA 18 1HB ALA 18 -1.756 -10.701 -5.580 1221 2HB ALA 18 2HB ALA 18 -2.943 -9.446 -5.935 1222 3HB ALA 18 3HB ALA 18 -2.899 -10.190 -4.338 1223 H LYS 19 H LYS 19 -4.471 -9.937 -7.817 1224 HA LYS 19 HA LYS 19 -6.978 -9.065 -6.736 1225 1HB LYS 19 2HB LYS 19 -7.233 -7.996 -8.996 1226 2HB LYS 19 3HB LYS 19 -5.799 -7.508 -8.105 1227 1HG LYS 19 2HG LYS 19 -4.398 -8.382 -9.625 1228 2HG LYS 19 3HG LYS 19 -5.420 -9.790 -9.918 1229 1HD LYS 19 2HD LYS 19 -6.877 -7.644 -10.922 1230 2HD LYS 19 3HD LYS 19 -5.213 -7.308 -11.399 1231 1HE LYS 19 2HE LYS 19 -5.119 -9.069 -12.809 1232 2HE LYS 19 3HE LYS 19 -6.126 -10.084 -11.780 1233 1HZ LYS 19 HZ1 LYS 19 -7.741 -8.030 -12.749 1234 2HZ LYS 19 HZ2 LYS 19 -6.863 -8.625 -14.070 1235 3HZ LYS 19 HZ3 LYS 19 -7.808 -9.678 -13.137 1236 H ALA 20 H ALA 20 -5.878 -11.683 -8.585 1237 HA ALA 20 HA ALA 20 -8.287 -12.266 -10.018 1238 1HB ALA 20 1HB ALA 20 -5.811 -13.092 -10.395 1239 2HB ALA 20 2HB ALA 20 -6.352 -14.430 -9.382 1240 3HB ALA 20 3HB ALA 20 -7.194 -14.068 -10.890 1241 H ASP 21 H ASP 21 -7.257 -12.762 -6.785 1242 HA ASP 21 HA ASP 21 -8.914 -15.039 -6.238 1243 1HB ASP 21 2HB ASP 21 -6.759 -14.125 -5.002 1244 2HB ASP 21 3HB ASP 21 -7.947 -13.231 -4.062 1245 H MET 22 H MET 22 -9.605 -11.781 -6.686 1246 HA MET 22 HA MET 22 -12.037 -12.004 -5.033 1247 1HB MET 22 2HB MET 22 -10.873 -9.396 -5.975 1248 2HB MET 22 3HB MET 22 -12.026 -9.673 -4.680 1249 1HG MET 22 2HG MET 22 -10.245 -10.776 -3.378 1250 2HG MET 22 3HG MET 22 -9.104 -10.380 -4.663 1251 1HE MET 22 1HE MET 22 -12.015 -8.010 -3.945 1252 2HE MET 22 2HE MET 22 -11.831 -8.636 -2.305 1253 3HE MET 22 3HE MET 22 -11.426 -6.956 -2.659 1254 H VAL 23 H VAL 23 -13.899 -10.711 -5.890 1255 HA VAL 23 HA VAL 23 -14.358 -11.306 -8.668 1256 HB VAL 23 HB VAL 23 -16.067 -9.649 -6.799 1257 1HG1 VAL 23 1HG1 VAL 23 -16.288 -10.348 -9.591 1258 2HG1 VAL 23 2HG1 VAL 23 -17.659 -10.967 -8.670 1259 3HG1 VAL 23 3HG1 VAL 23 -17.273 -9.247 -8.627 1260 1HG2 VAL 23 1HG2 VAL 23 -15.590 -11.996 -6.016 1261 2HG2 VAL 23 2HG2 VAL 23 -17.295 -11.607 -6.264 1262 3HG2 VAL 23 3HG2 VAL 23 -16.426 -12.562 -7.465 1263 H MET 24 H MET 24 -13.439 -10.108 -10.175 1264 HA MET 24 HA MET 24 -12.471 -7.474 -9.622 1265 1HB MET 24 2HB MET 24 -12.576 -8.972 -12.245 1266 2HB MET 24 3HB MET 24 -11.607 -7.545 -11.905 1267 1HG MET 24 2HG MET 24 -11.138 -9.714 -10.023 1268 2HG MET 24 3HG MET 24 -10.785 -10.151 -11.694 1269 1HE MET 24 1HE MET 24 -10.067 -7.752 -8.749 1270 2HE MET 24 2HE MET 24 -8.776 -6.718 -9.362 1271 3HE MET 24 3HE MET 24 -10.417 -6.544 -9.987 1272 H LEU 25 H LEU 25 -13.928 -5.852 -9.451 1273 HA LEU 25 HA LEU 25 -15.939 -5.648 -11.588 1274 1HB LEU 25 2HB LEU 25 -16.216 -5.645 -8.711 1275 2HB LEU 25 3HB LEU 25 -16.838 -4.157 -9.394 1276 HG LEU 25 HG LEU 25 -17.891 -6.914 -9.588 1277 1HD1 LEU 25 1HD1 LEU 25 -18.958 -5.197 -8.227 1278 2HD1 LEU 25 2HD1 LEU 25 -19.161 -4.181 -9.654 1279 3HD1 LEU 25 3HD1 LEU 25 -20.015 -5.719 -9.538 1280 1HD2 LEU 25 1HD2 LEU 25 -17.428 -5.299 -11.955 1281 2HD2 LEU 25 2HD2 LEU 25 -17.969 -6.973 -11.815 1282 3HD2 LEU 25 3HD2 LEU 25 -19.137 -5.655 -11.709 1283 H SER 26 H SER 26 -16.444 -3.645 -12.365 1284 HA SER 26 HA SER 26 -14.298 -1.706 -12.226 1285 1HB SER 26 2HB SER 26 -16.510 -0.863 -13.860 1286 2HB SER 26 3HB SER 26 -14.891 -1.351 -14.365 1287 HG SER 26 HG SER 26 -17.264 -2.789 -14.339 1288 HA PRO 27 HA PRO 27 -15.782 0.942 -9.063 1289 1HB PRO 27 2HB PRO 27 -15.489 3.308 -10.665 1290 2HB PRO 27 3HB PRO 27 -14.439 2.710 -9.382 1291 1HG PRO 27 2HG PRO 27 -14.220 2.369 -12.314 1292 2HG PRO 27 3HG PRO 27 -12.948 2.370 -11.078 1293 1HD PRO 27 2HD PRO 27 -13.673 0.104 -12.258 1294 2HD PRO 27 3HD PRO 27 -13.327 0.134 -10.522 1295 H LYS 28 H LYS 28 -17.230 1.416 -12.308 1296 HA LYS 28 HA LYS 28 -19.401 2.990 -11.290 1297 1HB LYS 28 2HB LYS 28 -19.054 1.521 -13.909 1298 2HB LYS 28 3HB LYS 28 -20.437 2.537 -13.526 1299 1HG LYS 28 2HG LYS 28 -18.893 4.444 -13.221 1300 2HG LYS 28 3HG LYS 28 -17.567 3.408 -13.751 1301 1HD LYS 28 2HD LYS 28 -20.032 4.018 -15.381 1302 2HD LYS 28 3HD LYS 28 -18.494 4.863 -15.543 1303 1HE LYS 28 2HE LYS 28 -19.288 2.158 -16.433 1304 2HE LYS 28 3HE LYS 28 -18.207 3.324 -17.187 1305 1HZ LYS 28 HZ1 LYS 28 -16.834 2.613 -14.971 1306 2HZ LYS 28 HZ2 LYS 28 -17.612 1.159 -15.380 1307 3HZ LYS 28 HZ3 LYS 28 -16.613 1.933 -16.511 1308 H ASP 29 H ASP 29 -18.899 -0.394 -12.104 1309 HA ASP 29 HA ASP 29 -21.568 -1.260 -11.576 1310 1HB ASP 29 2HB ASP 29 -18.954 -2.792 -11.613 1311 2HB ASP 29 3HB ASP 29 -20.547 -3.536 -11.540 1312 H ALA 30 H ALA 30 -18.650 -0.878 -9.740 1313 HA ALA 30 HA ALA 30 -19.529 -2.194 -7.364 1314 1HB ALA 30 1HB ALA 30 -17.268 -0.394 -8.074 1315 2HB ALA 30 2HB ALA 30 -17.671 -0.612 -6.371 1316 3HB ALA 30 3HB ALA 30 -17.248 -2.007 -7.363 1317 H TYR 31 H TYR 31 -19.509 1.148 -8.496 1318 HA TYR 31 HA TYR 31 -20.591 2.303 -6.152 1319 1HB TYR 31 HB2 TYR 31 -19.394 3.674 -7.709 1320 2HB TYR 31 HB3 TYR 31 -20.474 3.230 -9.020 1321 HD1 TYR 31 HD1 TYR 31 -20.474 4.919 -5.706 1322 HD2 TYR 31 HD2 TYR 31 -22.231 4.639 -9.569 1323 HE1 TYR 31 HE1 TYR 31 -21.842 6.906 -5.226 1324 HE2 TYR 31 HE2 TYR 31 -23.604 6.623 -9.101 1325 HH TYR 31 HH TYR 31 -23.089 8.591 -6.295 1326 H LYS 32 H LYS 32 -22.024 0.791 -8.959 1327 HA LYS 32 HA LYS 32 -24.636 1.781 -8.713 1328 1HB LYS 32 2HB LYS 32 -24.329 0.729 -10.731 1329 2HB LYS 32 3HB LYS 32 -23.371 -0.568 -10.036 1330 1HG LYS 32 2HG LYS 32 -25.300 -1.649 -10.687 1331 2HG LYS 32 3HG LYS 32 -25.599 -1.336 -8.977 1332 1HD LYS 32 2HD LYS 32 -26.722 0.843 -9.834 1333 2HD LYS 32 3HD LYS 32 -26.782 -0.001 -11.384 1334 1HE LYS 32 2HE LYS 32 -28.115 -1.746 -10.477 1335 2HE LYS 32 3HE LYS 32 -27.839 -1.188 -8.828 1336 1HZ LYS 32 HZ1 LYS 32 -28.951 0.951 -10.159 1337 2HZ LYS 32 HZ2 LYS 32 -29.842 -0.395 -10.677 1338 3HZ LYS 32 HZ3 LYS 32 -29.713 -0.046 -9.019 1339 H LEU 33 H LEU 33 -23.247 -1.275 -7.488 1340 HA LEU 33 HA LEU 33 -25.620 -1.943 -6.045 1341 1HB LEU 33 2HB LEU 33 -23.843 -3.511 -4.844 1342 2HB LEU 33 3HB LEU 33 -24.512 -3.873 -6.422 1343 HG LEU 33 HG LEU 33 -22.282 -2.359 -7.028 1344 1HD1 LEU 33 1HD1 LEU 33 -21.779 -2.770 -4.488 1345 2HD1 LEU 33 2HD1 LEU 33 -21.298 -4.370 -5.058 1346 3HD1 LEU 33 3HD1 LEU 33 -20.501 -2.930 -5.695 1347 1HD2 LEU 33 1HD2 LEU 33 -22.975 -5.254 -7.030 1348 2HD2 LEU 33 2HD2 LEU 33 -22.666 -4.165 -8.382 1349 3HD2 LEU 33 3HD2 LEU 33 -21.323 -4.777 -7.418 1350 H LEU 34 H LEU 34 -22.803 -0.084 -5.379 1351 HA LEU 34 HA LEU 34 -22.740 -0.127 -2.586 1352 1HB LEU 34 2HB LEU 34 -21.706 1.584 -4.732 1353 2HB LEU 34 3HB LEU 34 -21.954 2.418 -3.211 1354 HG LEU 34 HG LEU 34 -20.335 -0.109 -3.461 1355 1HD1 LEU 34 1HD1 LEU 34 -19.380 1.729 -4.821 1356 2HD1 LEU 34 2HD1 LEU 34 -19.322 2.726 -3.367 1357 3HD1 LEU 34 3HD1 LEU 34 -18.358 1.254 -3.464 1358 1HD2 LEU 34 1HD2 LEU 34 -21.222 0.380 -1.235 1359 2HD2 LEU 34 2HD2 LEU 34 -19.466 0.555 -1.290 1360 3HD2 LEU 34 3HD2 LEU 34 -20.495 1.987 -1.303 1361 H GLN 35 H GLN 35 -24.263 2.291 -4.723 1362 HA GLN 35 HA GLN 35 -25.444 3.678 -2.540 1363 1HB GLN 35 2HB GLN 35 -25.991 3.830 -5.506 1364 2HB GLN 35 3HB GLN 35 -26.659 4.937 -4.314 1365 1HG GLN 35 2HG GLN 35 -23.709 4.552 -4.488 1366 2HG GLN 35 3HG GLN 35 -24.536 5.581 -5.656 1367 1HE2 GLN 35 1HE2 GLN 35 -25.687 7.409 -4.876 1368 2HE2 GLN 35 2HE2 GLN 35 -25.238 8.158 -3.378 1369 H GLU 36 H GLU 36 -26.557 1.182 -4.726 1370 HA GLU 36 HA GLU 36 -29.309 1.467 -4.158 1371 1HB GLU 36 2HB GLU 36 -28.513 0.431 -6.201 1372 2HB GLU 36 3HB GLU 36 -27.706 -0.830 -5.283 1373 1HG GLU 36 2HG GLU 36 -29.529 -2.069 -5.406 1374 2HG GLU 36 3HG GLU 36 -30.424 -0.835 -4.518 1375 H ASN 37 H ASN 37 -26.759 -0.606 -2.853 1376 HA ASN 37 HA ASN 37 -28.666 -1.670 -0.885 1377 1HB ASN 37 2HB ASN 37 -26.101 -2.719 -2.049 1378 2HB ASN 37 3HB ASN 37 -26.713 -3.336 -0.524 1379 1HD2 ASN 37 1HD2 ASN 37 -26.815 -3.594 -3.854 1380 2HD2 ASN 37 2HD2 ASN 37 -28.177 -4.649 -3.994 1381 HA PRO 38 HA PRO 38 -26.487 1.135 1.883 1382 1HB PRO 38 2HB PRO 38 -28.018 0.610 4.066 1383 2HB PRO 38 3HB PRO 38 -28.529 1.686 2.761 1384 1HG PRO 38 2HG PRO 38 -29.241 -1.185 3.239 1385 2HG PRO 38 3HG PRO 38 -30.290 0.162 2.757 1386 1HD PRO 38 2HD PRO 38 -29.366 -1.642 0.978 1387 2HD PRO 38 3HD PRO 38 -29.617 0.062 0.548 1388 H ASP 39 H ASP 39 -26.564 -2.201 1.883 1389 HA ASP 39 HA ASP 39 -24.984 -2.424 4.338 1390 1HB ASP 39 2HB ASP 39 -26.789 -4.257 2.880 1391 2HB ASP 39 3HB ASP 39 -25.341 -5.000 3.558 1392 H ILE 40 H ILE 40 -24.704 -2.382 0.958 1393 HA ILE 40 HA ILE 40 -22.244 -3.899 0.873 1394 HB ILE 40 HB ILE 40 -23.615 -2.221 -1.235 1395 1HG1 ILE 40 2HG1 ILE 40 -23.352 -5.191 -0.744 1396 2HG1 ILE 40 3HG1 ILE 40 -24.830 -4.238 -0.804 1397 1HG2 ILE 40 1HG2 ILE 40 -21.096 -2.287 -1.409 1398 2HG2 ILE 40 2HG2 ILE 40 -21.243 -4.028 -1.659 1399 3HG2 ILE 40 3HG2 ILE 40 -21.977 -2.906 -2.806 1400 1HD1 ILE 40 1HD1 ILE 40 -24.056 -3.776 -3.262 1401 2HD1 ILE 40 2HD1 ILE 40 -23.139 -5.263 -3.019 1402 3HD1 ILE 40 3HD1 ILE 40 -24.892 -5.268 -2.835 1403 H THR 41 H THR 41 -20.555 -3.057 1.793 1404 HA THR 41 HA THR 41 -20.204 -0.166 1.890 1405 HB THR 41 HB THR 41 -18.744 -2.395 3.324 1406 HG1 THR 41 HG1 THR 41 -21.061 -1.747 3.843 1407 1HG2 THR 41 1HG2 THR 41 -17.726 0.077 2.832 1408 2HG2 THR 41 2HG2 THR 41 -18.573 0.348 4.357 1409 3HG2 THR 41 3HG2 THR 41 -17.334 -0.904 4.246 1410 H LEU 42 H LEU 42 -18.421 0.910 1.074 1411 HA LEU 42 HA LEU 42 -16.551 -0.684 -0.542 1412 1HB LEU 42 2HB LEU 42 -17.637 1.042 -1.893 1413 2HB LEU 42 3HB LEU 42 -17.227 2.262 -0.702 1414 HG LEU 42 HG LEU 42 -14.764 1.553 -1.234 1415 1HD1 LEU 42 1HD1 LEU 42 -16.101 -0.170 -2.940 1416 2HD1 LEU 42 2HD1 LEU 42 -15.528 1.125 -3.993 1417 3HD1 LEU 42 3HD1 LEU 42 -14.386 0.237 -2.984 1418 1HD2 LEU 42 1HD2 LEU 42 -16.224 3.680 -1.850 1419 2HD2 LEU 42 2HD2 LEU 42 -14.597 3.439 -2.490 1420 3HD2 LEU 42 3HD2 LEU 42 -16.005 3.039 -3.480 1421 H ILE 43 H ILE 43 -14.564 -0.880 0.256 1422 HA ILE 43 HA ILE 43 -13.804 0.868 2.504 1423 HB ILE 43 HB ILE 43 -12.985 -1.944 1.800 1424 1HG1 ILE 43 2HG1 ILE 43 -13.415 -1.672 4.531 1425 2HG1 ILE 43 3HG1 ILE 43 -14.622 -0.613 3.804 1426 1HG2 ILE 43 1HG2 ILE 43 -11.411 0.106 3.243 1427 2HG2 ILE 43 2HG2 ILE 43 -11.499 -1.487 3.993 1428 3HG2 ILE 43 3HG2 ILE 43 -10.869 -1.317 2.355 1429 1HD1 ILE 43 1HD1 ILE 43 -14.226 -3.529 3.169 1430 2HD1 ILE 43 2HD1 ILE 43 -15.494 -2.853 4.189 1431 3HD1 ILE 43 3HD1 ILE 43 -15.451 -2.472 2.468 1432 H ASP 44 H ASP 44 -12.401 2.412 2.053 1433 HA ASP 44 HA ASP 44 -10.753 2.130 -0.346 1434 1HB ASP 44 2HB ASP 44 -11.316 4.282 -0.627 1435 2HB ASP 44 3HB ASP 44 -12.064 4.332 0.956 1436 H VAL 45 H VAL 45 -8.699 1.657 -0.232 1437 HA VAL 45 HA VAL 45 -7.413 1.749 2.415 1438 HB VAL 45 HB VAL 45 -6.299 -0.036 0.312 1439 1HG1 VAL 45 1HG1 VAL 45 -5.586 0.380 2.815 1440 2HG1 VAL 45 2HG1 VAL 45 -6.842 -0.821 3.129 1441 3HG1 VAL 45 3HG1 VAL 45 -5.475 -1.224 2.088 1442 1HG2 VAL 45 1HG2 VAL 45 -8.890 -0.269 0.398 1443 2HG2 VAL 45 2HG2 VAL 45 -7.881 -1.715 0.456 1444 3HG2 VAL 45 3HG2 VAL 45 -8.580 -1.067 1.940 1445 H ARG 46 H ARG 46 -6.414 3.654 2.324 1446 HA ARG 46 HA ARG 46 -4.040 3.931 0.771 1447 1HB ARG 46 2HB ARG 46 -6.446 4.889 -0.397 1448 2HB ARG 46 3HB ARG 46 -5.542 6.296 0.141 1449 1HG ARG 46 2HG ARG 46 -3.782 4.471 -1.186 1450 2HG ARG 46 3HG ARG 46 -5.184 4.812 -2.204 1451 1HD ARG 46 2HD ARG 46 -4.803 7.211 -1.921 1452 2HD ARG 46 3HD ARG 46 -3.405 6.870 -0.903 1453 HE ARG 46 HE ARG 46 -3.566 6.646 -3.784 1454 1HH1 ARG 46 1HH1 ARG 46 -1.737 6.004 -0.875 1455 2HH1 ARG 46 2HH1 ARG 46 -0.276 5.618 -1.725 1456 1HH2 ARG 46 1HH2 ARG 46 -1.630 6.187 -4.906 1457 2HH2 ARG 46 2HH2 ARG 46 -0.201 5.739 -4.021 1458 H ASP 47 H ASP 47 -3.324 6.405 1.070 1459 HA ASP 47 HA ASP 47 -3.646 6.954 3.930 1460 1HB ASP 47 2HB ASP 47 -1.640 8.418 3.591 1461 2HB ASP 47 3HB ASP 47 -1.351 6.715 3.241 1462 HA PRO 48 HA PRO 48 -6.097 10.501 3.254 1463 1HB PRO 48 2HB PRO 48 -5.208 12.207 5.185 1464 2HB PRO 48 3HB PRO 48 -6.218 10.795 5.513 1465 1HG PRO 48 2HG PRO 48 -3.254 11.108 5.787 1466 2HG PRO 48 3HG PRO 48 -4.402 10.307 6.876 1467 1HD PRO 48 2HD PRO 48 -2.840 8.926 5.163 1468 2HD PRO 48 3HD PRO 48 -4.478 8.391 5.592 1469 H ASP 49 H ASP 49 -2.647 10.888 3.049 1470 HA ASP 49 HA ASP 49 -2.745 13.636 2.237 1471 1HB ASP 49 2HB ASP 49 -0.756 12.045 3.205 1472 2HB ASP 49 3HB ASP 49 -0.349 12.108 1.491 1473 H GLU 50 H GLU 50 -2.286 10.535 0.530 1474 HA GLU 50 HA GLU 50 -2.205 11.792 -2.057 1475 1HB GLU 50 2HB GLU 50 -2.104 9.054 -0.979 1476 2HB GLU 50 3HB GLU 50 -2.923 9.189 -2.529 1477 1HG GLU 50 2HG GLU 50 -0.403 10.649 -2.419 1478 2HG GLU 50 3HG GLU 50 -0.229 8.915 -2.158 1479 H LEU 51 H LEU 51 -4.620 10.518 0.105 1480 HA LEU 51 HA LEU 51 -6.823 10.356 -1.657 1481 1HB LEU 51 2HB LEU 51 -6.366 10.103 1.119 1482 2HB LEU 51 3HB LEU 51 -7.601 11.333 0.936 1483 HG LEU 51 HG LEU 51 -8.760 9.576 -0.606 1484 1HD1 LEU 51 1HD1 LEU 51 -6.516 8.091 0.501 1485 2HD1 LEU 51 2HD1 LEU 51 -8.075 7.317 0.789 1486 3HD1 LEU 51 3HD1 LEU 51 -7.574 7.706 -0.856 1487 1HD2 LEU 51 1HD2 LEU 51 -9.645 10.374 1.530 1488 2HD2 LEU 51 2HD2 LEU 51 -9.917 8.644 1.329 1489 3HD2 LEU 51 3HD2 LEU 51 -8.627 9.216 2.385 1490 H LYS 52 H LYS 52 -5.572 12.960 0.357 1491 HA LYS 52 HA LYS 52 -7.486 14.905 -0.292 1492 1HB LYS 52 2HB LYS 52 -5.338 14.789 1.390 1493 2HB LYS 52 3HB LYS 52 -4.759 15.909 0.164 1494 1HG LYS 52 2HG LYS 52 -7.435 16.599 0.880 1495 2HG LYS 52 3HG LYS 52 -6.452 16.443 2.339 1496 1HD LYS 52 2HD LYS 52 -4.754 17.924 1.260 1497 2HD LYS 52 3HD LYS 52 -5.895 18.180 -0.062 1498 1HE LYS 52 2HE LYS 52 -6.338 20.000 1.268 1499 2HE LYS 52 3HE LYS 52 -7.528 18.843 1.861 1500 1HZ LYS 52 HZ1 LYS 52 -5.261 18.388 3.353 1501 2HZ LYS 52 HZ2 LYS 52 -5.373 20.075 3.245 1502 3HZ LYS 52 HZ3 LYS 52 -6.674 19.180 3.863 1503 H ALA 53 H ALA 53 -4.596 13.856 -1.965 1504 HA ALA 53 HA ALA 53 -4.603 16.105 -3.764 1505 1HB ALA 53 1HB ALA 53 -2.704 14.256 -2.919 1506 2HB ALA 53 2HB ALA 53 -2.948 13.908 -4.631 1507 3HB ALA 53 3HB ALA 53 -2.488 15.530 -4.117 1508 H MET 54 H MET 54 -5.552 12.702 -3.911 1509 HA MET 54 HA MET 54 -6.110 12.958 -6.764 1510 1HB MET 54 2HB MET 54 -5.770 10.675 -4.871 1511 2HB MET 54 3HB MET 54 -6.661 10.413 -6.363 1512 1HG MET 54 2HG MET 54 -4.442 11.690 -7.274 1513 2HG MET 54 3HG MET 54 -3.795 10.779 -5.912 1514 1HE MET 54 1HE MET 54 -4.293 8.520 -5.423 1515 2HE MET 54 2HE MET 54 -5.571 7.653 -6.276 1516 3HE MET 54 3HE MET 54 -3.879 7.301 -6.628 1517 H GLY 55 H GLY 55 -7.833 12.928 -3.806 1518 1HA GLY 55 1HA GLY 55 -10.141 13.511 -3.699 1519 2HA GLY 55 2HA GLY 55 -10.349 12.794 -5.286 1520 H LYS 56 H LYS 56 -12.058 12.122 -3.239 1521 HA LYS 56 HA LYS 56 -11.442 9.284 -2.944 1522 1HB LYS 56 2HB LYS 56 -12.290 9.380 -0.558 1523 2HB LYS 56 3HB LYS 56 -10.699 10.073 -0.831 1524 1HG LYS 56 2HG LYS 56 -11.374 12.174 -0.342 1525 2HG LYS 56 3HG LYS 56 -12.995 11.925 -0.997 1526 1HD LYS 56 2HD LYS 56 -13.792 11.019 0.961 1527 2HD LYS 56 3HD LYS 56 -12.199 10.453 1.469 1528 1HE LYS 56 2HE LYS 56 -11.588 12.912 1.726 1529 2HE LYS 56 3HE LYS 56 -13.314 13.244 1.577 1530 1HZ LYS 56 HZ1 LYS 56 -12.674 11.187 3.494 1531 2HZ LYS 56 HZ2 LYS 56 -12.032 12.705 3.887 1532 3HZ LYS 56 HZ3 LYS 56 -13.702 12.527 3.643 1533 HA PRO 57 HA PRO 57 -15.582 8.803 -4.296 1534 1HB PRO 57 2HB PRO 57 -16.243 6.497 -2.908 1535 2HB PRO 57 3HB PRO 57 -15.383 6.552 -4.449 1536 1HG PRO 57 2HG PRO 57 -14.319 6.207 -1.685 1537 2HG PRO 57 3HG PRO 57 -13.766 5.476 -3.202 1538 1HD PRO 57 2HD PRO 57 -12.457 7.520 -2.024 1539 2HD PRO 57 3HD PRO 57 -12.522 7.327 -3.787 1540 H ASP 58 H ASP 58 -17.495 9.594 -3.720 1541 HA ASP 58 HA ASP 58 -18.080 9.872 -0.846 1542 1HB ASP 58 2HB ASP 58 -17.776 12.032 -1.895 1543 2HB ASP 58 3HB ASP 58 -18.897 11.611 -3.184 1544 H VAL 59 H VAL 59 -19.053 7.794 -0.770 1545 HA VAL 59 HA VAL 59 -21.694 7.681 -2.066 1546 HB VAL 59 HB VAL 59 -21.567 5.339 -2.334 1547 1HG1 VAL 59 1HG1 VAL 59 -20.084 6.878 -3.818 1548 2HG1 VAL 59 2HG1 VAL 59 -18.748 6.036 -3.029 1549 3HG1 VAL 59 3HG1 VAL 59 -19.944 5.125 -3.955 1550 1HG2 VAL 59 1HG2 VAL 59 -20.252 5.157 -0.049 1551 2HG2 VAL 59 2HG2 VAL 59 -20.185 3.876 -1.259 1552 3HG2 VAL 59 3HG2 VAL 59 -18.865 5.038 -1.132 1553 H LYS 60 H LYS 60 -23.236 6.220 -0.853 1554 HA LYS 60 HA LYS 60 -23.673 7.326 1.651 1555 1HB LYS 60 2HB LYS 60 -24.809 4.825 0.407 1556 2HB LYS 60 3HB LYS 60 -25.407 5.519 1.907 1557 1HG LYS 60 2HG LYS 60 -26.449 7.230 0.865 1558 2HG LYS 60 3HG LYS 60 -25.238 7.335 -0.416 1559 1HD LYS 60 2HD LYS 60 -26.390 5.971 -1.761 1560 2HD LYS 60 3HD LYS 60 -26.729 4.835 -0.453 1561 1HE LYS 60 2HE LYS 60 -28.201 7.414 -0.988 1562 2HE LYS 60 3HE LYS 60 -28.787 5.793 -1.365 1563 1HZ LYS 60 HZ1 LYS 60 -28.497 5.355 1.117 1564 2HZ LYS 60 HZ2 LYS 60 -28.403 7.041 1.292 1565 3HZ LYS 60 HZ3 LYS 60 -29.799 6.329 0.645 1566 H ASN 61 H ASN 61 -22.445 4.037 0.926 1567 HA ASN 61 HA ASN 61 -21.730 3.854 3.775 1568 1HB ASN 61 2HB ASN 61 -21.733 1.296 2.388 1569 2HB ASN 61 3HB ASN 61 -22.531 1.761 3.882 1570 1HD2 ASN 61 1HD2 ASN 61 -22.989 0.746 0.777 1571 2HD2 ASN 61 2HD2 ASN 61 -24.647 1.198 0.577 1572 H TYR 62 H TYR 62 -19.799 5.089 3.025 1573 HA TYR 62 HA TYR 62 -17.772 3.227 1.984 1574 1HB TYR 62 HB2 TYR 62 -17.598 4.868 0.406 1575 2HB TYR 62 HB3 TYR 62 -18.295 6.095 1.452 1576 HD1 TYR 62 HD1 TYR 62 -15.174 4.014 1.381 1577 HD2 TYR 62 HD2 TYR 62 -16.920 7.854 1.929 1578 HE1 TYR 62 HE1 TYR 62 -12.949 4.961 1.768 1579 HE2 TYR 62 HE2 TYR 62 -14.694 8.818 2.308 1580 HH TYR 62 HH TYR 62 -11.746 6.874 1.951 1581 H LYS 63 H LYS 63 -16.097 2.759 3.287 1582 HA LYS 63 HA LYS 63 -15.618 4.492 5.598 1583 1HB LYS 63 2HB LYS 63 -15.367 1.548 6.035 1584 2HB LYS 63 3HB LYS 63 -15.756 2.826 7.173 1585 1HG LYS 63 2HG LYS 63 -17.966 3.012 5.910 1586 2HG LYS 63 3HG LYS 63 -17.565 1.425 5.261 1587 1HD LYS 63 2HD LYS 63 -17.145 1.426 8.090 1588 2HD LYS 63 3HD LYS 63 -18.757 2.053 7.745 1589 1HE LYS 63 2HE LYS 63 -17.820 -0.416 6.356 1590 2HE LYS 63 3HE LYS 63 -18.345 -0.524 8.032 1591 1HZ LYS 63 HZ1 LYS 63 -20.271 0.958 6.667 1592 2HZ LYS 63 HZ2 LYS 63 -19.923 -0.392 5.700 1593 3HZ LYS 63 HZ3 LYS 63 -20.421 -0.610 7.304 1594 H HIS 64 H HIS 64 -13.563 5.023 5.817 1595 HA HIS 64 HA HIS 64 -11.597 3.907 4.029 1596 1HB HIS 64 2HB HIS 64 -11.644 6.306 4.388 1597 2HB HIS 64 3HB HIS 64 -11.472 6.091 6.124 1598 HD1 HIS 64 HD1 HIS 64 -9.212 6.681 6.871 1599 HD2 HIS 64 HD2 HIS 64 -9.187 4.998 3.064 1600 HE1 HIS 64 HE1 HIS 64 -6.797 6.655 6.158 1601 HE2 HIS 64 HE2 HIS 64 -6.787 5.483 3.926 1602 H MET 65 H MET 65 -10.309 2.247 4.512 1603 HA MET 65 HA MET 65 -9.565 1.765 7.316 1604 1HB MET 65 2HB MET 65 -11.368 0.173 5.740 1605 2HB MET 65 3HB MET 65 -9.924 -0.763 6.097 1606 1HG MET 65 2HG MET 65 -11.166 -1.281 7.915 1607 2HG MET 65 3HG MET 65 -10.353 0.160 8.527 1608 1HE MET 65 1HE MET 65 -13.483 -1.506 7.255 1609 2HE MET 65 2HE MET 65 -14.751 -0.285 7.347 1610 3HE MET 65 3HE MET 65 -13.562 -0.226 6.045 1611 H SER 66 H SER 66 -7.409 2.218 7.069 1612 HA SER 66 HA SER 66 -5.873 0.429 5.353 1613 1HB SER 66 2HB SER 66 -5.053 3.262 5.129 1614 2HB SER 66 3HB SER 66 -5.080 1.992 3.905 1615 HG SER 66 HG SER 66 -7.474 2.276 4.035 1616 H ARG 67 H ARG 67 -3.450 1.807 5.530 1617 HA ARG 67 HA ARG 67 -1.592 2.009 6.801 1618 1HB ARG 67 2HB ARG 67 -3.252 3.796 7.840 1619 2HB ARG 67 3HB ARG 67 -3.139 2.737 9.240 1620 1HG ARG 67 2HG ARG 67 -1.271 3.782 9.802 1621 2HG ARG 67 3HG ARG 67 -0.510 3.097 8.365 1622 1HD ARG 67 2HD ARG 67 -1.970 5.246 7.401 1623 2HD ARG 67 3HD ARG 67 -1.304 5.831 8.924 1624 HE ARG 67 HE ARG 67 0.808 4.638 7.659 1625 1HH1 ARG 67 1HH1 ARG 67 -1.441 7.192 6.829 1626 2HH1 ARG 67 2HH1 ARG 67 -0.297 8.051 5.829 1627 1HH2 ARG 67 1HH2 ARG 67 2.302 5.762 6.336 1628 2HH2 ARG 67 2HH2 ARG 67 1.814 7.236 5.542 1629 H GLY 68 H GLY 68 -3.272 1.358 9.727 1630 1HA GLY 68 1HA GLY 68 -1.541 -0.499 10.687 1631 2HA GLY 68 2HA GLY 68 -3.165 -0.278 11.305 1632 H LYS 69 H LYS 69 -2.901 -1.307 8.066 1633 HA LYS 69 HA LYS 69 -3.191 -3.273 6.975 1634 1HB LYS 69 2HB LYS 69 -3.235 -4.639 9.676 1635 2HB LYS 69 3HB LYS 69 -3.204 -5.437 8.110 1636 1HG LYS 69 2HG LYS 69 -0.992 -4.970 7.756 1637 2HG LYS 69 3HG LYS 69 -1.021 -3.525 8.769 1638 1HD LYS 69 2HD LYS 69 -1.519 -6.115 10.115 1639 2HD LYS 69 3HD LYS 69 0.121 -5.822 9.536 1640 1HE LYS 69 2HE LYS 69 0.497 -4.610 11.360 1641 2HE LYS 69 3HE LYS 69 -0.705 -3.449 10.792 1642 1HZ LYS 69 HZ1 LYS 69 -2.198 -5.455 11.871 1643 2HZ LYS 69 HZ2 LYS 69 -0.876 -5.352 12.932 1644 3HZ LYS 69 HZ3 LYS 69 -1.824 -3.984 12.625 1645 H LEU 70 H LEU 70 -5.038 -1.405 8.432 1646 HA LEU 70 HA LEU 70 -7.186 -0.904 8.514 1647 1HB LEU 70 2HB LEU 70 -8.547 -1.579 6.798 1648 2HB LEU 70 3HB LEU 70 -6.947 -1.864 6.155 1649 HG LEU 70 HG LEU 70 -7.759 -4.292 7.337 1650 1HD1 LEU 70 1HD1 LEU 70 -9.979 -2.758 6.164 1651 2HD1 LEU 70 2HD1 LEU 70 -9.805 -4.411 5.577 1652 3HD1 LEU 70 3HD1 LEU 70 -10.006 -4.105 7.302 1653 1HD2 LEU 70 1HD2 LEU 70 -6.400 -3.602 5.196 1654 2HD2 LEU 70 2HD2 LEU 70 -7.257 -5.140 5.258 1655 3HD2 LEU 70 3HD2 LEU 70 -7.967 -3.771 4.408 1656 H GLU 71 H GLU 71 -6.399 -4.134 9.386 1657 HA GLU 71 HA GLU 71 -8.760 -5.159 10.289 1658 1HB GLU 71 2HB GLU 71 -6.935 -5.927 12.285 1659 2HB GLU 71 3HB GLU 71 -7.420 -6.824 10.854 1660 1HG GLU 71 2HG GLU 71 -5.399 -6.632 9.997 1661 2HG GLU 71 3HG GLU 71 -5.460 -4.875 10.137 1662 HA PRO 72 HA PRO 72 -8.254 -3.057 14.682 1663 1HB PRO 72 2HB PRO 72 -6.985 -0.500 13.908 1664 2HB PRO 72 3HB PRO 72 -6.688 -1.526 15.315 1665 1HG PRO 72 2HG PRO 72 -4.929 -1.386 13.309 1666 2HG PRO 72 3HG PRO 72 -5.233 -2.908 14.169 1667 1HD PRO 72 2HD PRO 72 -6.227 -2.007 11.494 1668 2HD PRO 72 3HD PRO 72 -5.656 -3.610 12.001 1669 H LEU 73 H LEU 73 -8.906 -1.561 11.645 1670 HA LEU 73 HA LEU 73 -11.020 0.096 12.842 1671 1HB LEU 73 2HB LEU 73 -9.089 0.620 10.878 1672 2HB LEU 73 3HB LEU 73 -10.597 0.479 10.001 1673 HG LEU 73 HG LEU 73 -10.171 2.795 10.554 1674 1HD1 LEU 73 1HD1 LEU 73 -12.501 1.352 11.416 1675 2HD1 LEU 73 2HD1 LEU 73 -12.239 2.773 12.431 1676 3HD1 LEU 73 3HD1 LEU 73 -12.374 2.953 10.683 1677 1HD2 LEU 73 1HD2 LEU 73 -9.263 1.692 13.022 1678 2HD2 LEU 73 2HD2 LEU 73 -9.110 3.344 12.421 1679 3HD2 LEU 73 3HD2 LEU 73 -10.531 2.873 13.353 1680 H LEU 74 H LEU 74 -10.398 -2.670 10.925 1681 HA LEU 74 HA LEU 74 -12.793 -2.878 9.445 1682 1HB LEU 74 2HB LEU 74 -10.727 -4.166 9.003 1683 2HB LEU 74 3HB LEU 74 -10.967 -5.051 10.494 1684 HG LEU 74 HG LEU 74 -13.252 -5.725 9.369 1685 1HD1 LEU 74 1HD1 LEU 74 -12.224 -4.173 7.349 1686 2HD1 LEU 74 2HD1 LEU 74 -11.819 -5.813 6.842 1687 3HD1 LEU 74 3HD1 LEU 74 -13.496 -5.383 7.180 1688 1HD2 LEU 74 1HD2 LEU 74 -10.877 -6.974 9.809 1689 2HD2 LEU 74 2HD2 LEU 74 -12.311 -7.750 9.134 1690 3HD2 LEU 74 3HD2 LEU 74 -11.041 -7.153 8.060 1691 H ALA 75 H ALA 75 -11.910 -3.720 12.698 1692 HA ALA 75 HA ALA 75 -14.343 -5.170 13.260 1693 1HB ALA 75 1HB ALA 75 -11.872 -5.111 14.418 1694 2HB ALA 75 2HB ALA 75 -12.846 -4.193 15.563 1695 3HB ALA 75 3HB ALA 75 -13.316 -5.834 15.123 1696 H LYS 76 H LYS 76 -13.281 -1.880 13.394 1697 HA LYS 76 HA LYS 76 -15.294 -1.058 15.297 1698 1HB LYS 76 2HB LYS 76 -13.571 0.739 13.598 1699 2HB LYS 76 3HB LYS 76 -14.378 1.140 15.105 1700 1HG LYS 76 2HG LYS 76 -12.896 -0.532 16.236 1701 2HG LYS 76 3HG LYS 76 -12.003 -0.656 14.716 1702 1HD LYS 76 2HD LYS 76 -10.807 0.920 15.972 1703 2HD LYS 76 3HD LYS 76 -11.770 1.883 14.850 1704 1HE LYS 76 2HE LYS 76 -13.302 2.494 16.530 1705 2HE LYS 76 3HE LYS 76 -12.715 1.250 17.631 1706 1HZ LYS 76 HZ1 LYS 76 -10.543 2.508 17.606 1707 2HZ LYS 76 HZ2 LYS 76 -11.381 3.777 16.852 1708 3HZ LYS 76 HZ3 LYS 76 -11.836 3.265 18.403 1709 H SER 77 H SER 77 -15.457 -1.778 12.082 1710 HA SER 77 HA SER 77 -17.385 0.370 11.554 1711 1HB SER 77 2HB SER 77 -15.759 -1.229 9.572 1712 2HB SER 77 3HB SER 77 -16.810 0.138 9.199 1713 HG SER 77 HG SER 77 -14.305 0.093 10.471 1714 H GLY 78 H GLY 78 -18.172 -2.020 12.900 1715 1HA GLY 78 1HA GLY 78 -19.705 -3.767 12.778 1716 2HA GLY 78 2HA GLY 78 -20.619 -2.480 12.016 1717 H LEU 79 H LEU 79 -18.005 -4.689 10.998 1718 HA LEU 79 HA LEU 79 -19.485 -5.113 8.504 1719 1HB LEU 79 2HB LEU 79 -16.591 -5.498 9.246 1720 2HB LEU 79 3HB LEU 79 -17.272 -6.136 7.760 1721 HG LEU 79 HG LEU 79 -17.321 -3.210 8.492 1722 1HD1 LEU 79 1HD1 LEU 79 -15.048 -4.586 7.978 1723 2HD1 LEU 79 2HD1 LEU 79 -15.539 -4.131 6.348 1724 3HD1 LEU 79 3HD1 LEU 79 -15.298 -2.887 7.575 1725 1HD2 LEU 79 1HD2 LEU 79 -18.017 -4.774 6.024 1726 2HD2 LEU 79 2HD2 LEU 79 -19.013 -3.628 6.922 1727 3HD2 LEU 79 3HD2 LEU 79 -17.646 -3.051 5.971 1728 H ASP 80 H ASP 80 -20.109 -7.112 7.840 1729 HA ASP 80 HA ASP 80 -19.569 -9.367 9.649 1730 1HB ASP 80 2HB ASP 80 -22.157 -8.693 8.222 1731 2HB ASP 80 3HB ASP 80 -21.858 -10.193 9.088 1732 HA PRO 81 HA PRO 81 -18.103 -11.328 5.945 1733 1HB PRO 81 2HB PRO 81 -18.411 -13.937 6.695 1734 2HB PRO 81 3HB PRO 81 -17.096 -12.902 7.270 1735 1HG PRO 81 2HG PRO 81 -19.675 -13.612 8.612 1736 2HG PRO 81 3HG PRO 81 -18.041 -13.532 9.297 1737 1HD PRO 81 2HD PRO 81 -19.823 -11.549 9.652 1738 2HD PRO 81 3HD PRO 81 -18.084 -11.225 9.470 1739 H GLU 82 H GLU 82 -21.274 -11.115 6.731 1740 HA GLU 82 HA GLU 82 -22.130 -12.885 4.557 1741 1HB GLU 82 2HB GLU 82 -24.466 -12.340 5.547 1742 2HB GLU 82 3HB GLU 82 -23.424 -13.487 6.369 1743 1HG GLU 82 2HG GLU 82 -23.966 -12.315 8.185 1744 2HG GLU 82 3HG GLU 82 -22.707 -11.223 7.630 1745 H LYS 83 H LYS 83 -21.367 -9.728 5.227 1746 HA LYS 83 HA LYS 83 -23.359 -8.597 3.420 1747 1HB LYS 83 2HB LYS 83 -21.191 -6.993 4.724 1748 2HB LYS 83 3HB LYS 83 -22.816 -6.499 4.271 1749 1HG LYS 83 2HG LYS 83 -23.632 -8.070 6.093 1750 2HG LYS 83 3HG LYS 83 -21.954 -8.137 6.630 1751 1HD LYS 83 2HD LYS 83 -22.194 -6.208 7.706 1752 2HD LYS 83 3HD LYS 83 -22.683 -5.410 6.209 1753 1HE LYS 83 2HE LYS 83 -24.465 -5.089 7.717 1754 2HE LYS 83 3HE LYS 83 -24.993 -6.356 6.612 1755 1HZ LYS 83 HZ1 LYS 83 -23.771 -6.946 9.252 1756 2HZ LYS 83 HZ2 LYS 83 -25.443 -6.744 9.036 1757 3HZ LYS 83 HZ3 LYS 83 -24.633 -8.004 8.238 1758 HA PRO 84 HA PRO 84 -20.403 -8.675 0.059 1759 1HB PRO 84 2HB PRO 84 -22.134 -6.835 -1.368 1760 2HB PRO 84 3HB PRO 84 -21.828 -8.541 -1.698 1761 1HG PRO 84 2HG PRO 84 -24.221 -7.592 -0.804 1762 2HG PRO 84 3HG PRO 84 -23.635 -9.232 -0.473 1763 1HD PRO 84 2HD PRO 84 -23.609 -6.813 1.292 1764 2HD PRO 84 3HD PRO 84 -23.971 -8.508 1.699 1765 H VAL 85 H VAL 85 -18.605 -7.485 0.056 1766 HA VAL 85 HA VAL 85 -18.853 -4.557 0.267 1767 HB VAL 85 HB VAL 85 -16.721 -4.535 1.542 1768 1HG1 VAL 85 1HG1 VAL 85 -19.309 -5.324 2.483 1769 2HG1 VAL 85 2HG1 VAL 85 -18.056 -6.047 3.492 1770 3HG1 VAL 85 3HG1 VAL 85 -18.103 -4.298 3.263 1771 1HG2 VAL 85 1HG2 VAL 85 -17.150 -7.513 1.702 1772 2HG2 VAL 85 2HG2 VAL 85 -15.836 -6.689 0.862 1773 3HG2 VAL 85 3HG2 VAL 85 -15.954 -6.599 2.619 1774 H VAL 86 H VAL 86 -17.113 -3.347 -0.704 1775 HA VAL 86 HA VAL 86 -15.491 -4.877 -2.613 1776 HB VAL 86 HB VAL 86 -17.156 -4.031 -4.039 1777 1HG1 VAL 86 1HG1 VAL 86 -17.090 -1.571 -2.333 1778 2HG1 VAL 86 2HG1 VAL 86 -17.794 -1.549 -3.949 1779 3HG1 VAL 86 3HG1 VAL 86 -18.451 -2.625 -2.714 1780 1HG2 VAL 86 1HG2 VAL 86 -14.822 -2.138 -4.011 1781 2HG2 VAL 86 2HG2 VAL 86 -15.090 -3.536 -5.051 1782 3HG2 VAL 86 3HG2 VAL 86 -16.071 -2.085 -5.255 1783 H VAL 87 H VAL 87 -13.430 -4.049 -2.961 1784 HA VAL 87 HA VAL 87 -12.621 -1.970 -1.043 1785 HB VAL 87 HB VAL 87 -10.293 -2.869 -1.408 1786 1HG1 VAL 87 1HG1 VAL 87 -12.432 -3.904 0.158 1787 2HG1 VAL 87 2HG1 VAL 87 -11.384 -5.241 -0.324 1788 3HG1 VAL 87 3HG1 VAL 87 -10.708 -3.853 0.531 1789 1HG2 VAL 87 1HG2 VAL 87 -10.759 -4.001 -3.554 1790 2HG2 VAL 87 2HG2 VAL 87 -10.015 -5.068 -2.362 1791 3HG2 VAL 87 3HG2 VAL 87 -11.745 -5.180 -2.688 1792 H PHE 88 H PHE 88 -11.864 -0.077 -1.756 1793 HA PHE 88 HA PHE 88 -11.435 0.183 -4.650 1794 1HB PHE 88 2HB PHE 88 -13.218 1.591 -3.409 1795 2HB PHE 88 3HB PHE 88 -11.847 2.514 -2.800 1796 HD1 PHE 88 HD1 PHE 88 -12.379 0.989 -6.171 1797 HD2 PHE 88 HD2 PHE 88 -11.976 4.562 -3.875 1798 HE1 PHE 88 HE1 PHE 88 -12.288 2.309 -8.230 1799 HE2 PHE 88 HE2 PHE 88 -11.882 5.874 -5.940 1800 HZ PHE 88 HZ PHE 88 -12.038 4.751 -8.120 1801 H CYS 89 H CYS 89 -9.600 0.693 -5.431 1802 HA CYS 89 HA CYS 89 -7.541 2.269 -4.803 1803 1HB CYS 89 2HB CYS 89 -6.843 1.541 -2.738 1804 2HB CYS 89 3HB CYS 89 -7.561 -0.049 -2.940 1805 H LYS 90 H LYS 90 -5.377 1.364 -5.807 1806 HA LYS 90 HA LYS 90 -5.989 0.249 -8.326 1807 1HB LYS 90 2HB LYS 90 -3.911 1.635 -7.508 1808 2HB LYS 90 3HB LYS 90 -3.238 0.050 -7.153 1809 1HG LYS 90 2HG LYS 90 -2.756 -0.315 -9.290 1810 2HG LYS 90 3HG LYS 90 -4.379 0.145 -9.808 1811 1HD LYS 90 2HD LYS 90 -3.149 2.533 -9.052 1812 2HD LYS 90 3HD LYS 90 -1.911 1.639 -9.936 1813 1HE LYS 90 2HE LYS 90 -2.949 2.709 -11.672 1814 2HE LYS 90 3HE LYS 90 -3.893 1.220 -11.619 1815 1HZ LYS 90 HZ1 LYS 90 -4.870 3.346 -9.917 1816 2HZ LYS 90 HZ2 LYS 90 -4.953 3.682 -11.575 1817 3HZ LYS 90 HZ3 LYS 90 -5.719 2.304 -10.949 1818 H THR 91 H THR 91 -6.420 -1.733 -8.843 1819 HA THR 91 HA THR 91 -7.217 -3.823 -7.780 1820 HB THR 91 HB THR 91 -5.389 -5.252 -9.211 1821 HG1 THR 91 HG1 THR 91 -5.294 -3.554 -11.108 1822 1HG2 THR 91 1HG2 THR 91 -7.750 -3.669 -10.236 1823 2HG2 THR 91 2HG2 THR 91 -6.978 -5.007 -11.090 1824 3HG2 THR 91 3HG2 THR 91 -7.790 -5.296 -9.552 1825 H ALA 92 H ALA 92 -3.764 -4.418 -8.187 1826 HA ALA 92 HA ALA 92 -3.821 -5.874 -5.643 1827 1HB ALA 92 1HB ALA 92 -3.127 -6.808 -8.030 1828 2HB ALA 92 2HB ALA 92 -1.554 -6.194 -7.523 1829 3HB ALA 92 3HB ALA 92 -2.391 -7.394 -6.538 1830 H ALA 93 H ALA 93 -3.282 -2.904 -6.055 1831 HA ALA 93 HA ALA 93 -0.530 -2.550 -5.299 1832 1HB ALA 93 1HB ALA 93 -2.183 -0.889 -6.482 1833 2HB ALA 93 2HB ALA 93 -2.570 -0.433 -4.823 1834 3HB ALA 93 3HB ALA 93 -0.913 -0.294 -5.412 1835 H ARG 94 H ARG 94 -3.616 -2.725 -3.648 1836 HA ARG 94 HA ARG 94 -2.438 -3.522 -1.201 1837 1HB ARG 94 2HB ARG 94 -2.504 -0.743 -1.525 1838 2HB ARG 94 3HB ARG 94 -3.879 -1.107 -0.492 1839 1HG ARG 94 2HG ARG 94 -1.163 -2.229 0.097 1840 2HG ARG 94 3HG ARG 94 -1.618 -0.603 0.609 1841 1HD ARG 94 2HD ARG 94 -3.013 -1.358 2.211 1842 2HD ARG 94 3HD ARG 94 -3.580 -2.705 1.226 1843 HE ARG 94 HE ARG 94 -0.876 -3.004 2.191 1844 1HH1 ARG 94 1HH1 ARG 94 -4.271 -3.544 2.870 1845 2HH1 ARG 94 2HH1 ARG 94 -3.983 -4.821 4.003 1846 1HH2 ARG 94 1HH2 ARG 94 -0.480 -4.694 3.702 1847 2HH2 ARG 94 2HH2 ARG 94 -1.820 -5.478 4.474 1848 H ALA 95 H ALA 95 -5.198 -2.383 -3.012 1849 HA ALA 95 HA ALA 95 -7.249 -2.924 -1.200 1850 1HB ALA 95 1HB ALA 95 -7.138 -1.956 -3.737 1851 2HB ALA 95 2HB ALA 95 -7.877 -3.535 -4.003 1852 3HB ALA 95 3HB ALA 95 -8.625 -2.386 -2.892 1853 H ALA 96 H ALA 96 -5.554 -5.061 -3.424 1854 HA ALA 96 HA ALA 96 -7.204 -7.304 -3.256 1855 1HB ALA 96 1HB ALA 96 -4.830 -6.677 -4.511 1856 2HB ALA 96 2HB ALA 96 -4.378 -7.970 -3.399 1857 3HB ALA 96 3HB ALA 96 -5.665 -8.230 -4.580 1858 H LEU 97 H LEU 97 -4.646 -6.166 -1.117 1859 HA LEU 97 HA LEU 97 -4.524 -8.506 0.495 1860 1HB LEU 97 2HB LEU 97 -3.397 -5.814 0.559 1861 2HB LEU 97 3HB LEU 97 -3.795 -6.428 2.157 1862 HG LEU 97 HG LEU 97 -1.430 -6.833 1.391 1863 1HD1 LEU 97 1HD1 LEU 97 -3.308 -8.692 2.592 1864 2HD1 LEU 97 2HD1 LEU 97 -1.919 -9.502 1.866 1865 3HD1 LEU 97 3HD1 LEU 97 -1.673 -8.253 3.087 1866 1HD2 LEU 97 1HD2 LEU 97 -2.863 -8.087 -0.798 1867 2HD2 LEU 97 2HD2 LEU 97 -1.169 -7.617 -0.679 1868 3HD2 LEU 97 3HD2 LEU 97 -1.695 -9.178 -0.052 1869 H ALA 98 H ALA 98 -6.546 -5.667 0.482 1870 HA ALA 98 HA ALA 98 -7.566 -6.026 3.120 1871 1HB ALA 98 1HB ALA 98 -8.033 -4.183 0.868 1872 2HB ALA 98 2HB ALA 98 -9.391 -4.414 1.969 1873 3HB ALA 98 3HB ALA 98 -7.838 -3.851 2.590 1874 H GLY 99 H GLY 99 -8.677 -6.893 -0.107 1875 1HA GLY 99 1HA GLY 99 -11.218 -7.804 0.976 1876 2HA GLY 99 2HA GLY 99 -10.803 -7.648 -0.722 1877 H LYS 100 H LYS 100 -8.471 -9.235 -0.772 1878 HA LYS 100 HA LYS 100 -9.649 -11.740 -1.174 1879 1HB LYS 100 2HB LYS 100 -7.641 -12.400 -2.050 1880 2HB LYS 100 3HB LYS 100 -7.418 -10.656 -2.098 1881 1HG LYS 100 2HG LYS 100 -5.785 -10.689 -0.547 1882 2HG LYS 100 3HG LYS 100 -6.535 -11.994 0.375 1883 1HD LYS 100 2HD LYS 100 -5.398 -12.603 -2.311 1884 2HD LYS 100 3HD LYS 100 -4.295 -12.382 -0.951 1885 1HE LYS 100 2HE LYS 100 -6.640 -14.272 -0.930 1886 2HE LYS 100 3HE LYS 100 -4.996 -14.749 -1.355 1887 1HZ LYS 100 HZ1 LYS 100 -5.215 -13.327 1.148 1888 2HZ LYS 100 HZ2 LYS 100 -6.015 -14.826 1.131 1889 3HZ LYS 100 HZ3 LYS 100 -4.362 -14.739 0.773 1890 H THR 101 H THR 101 -8.242 -10.348 1.636 1891 HA THR 101 HA THR 101 -7.755 -12.732 3.106 1892 HB THR 101 HB THR 101 -8.156 -10.804 4.950 1893 HG1 THR 101 HG1 THR 101 -7.037 -9.064 3.263 1894 1HG2 THR 101 1HG2 THR 101 -5.998 -12.111 3.979 1895 2HG2 THR 101 2HG2 THR 101 -5.639 -10.474 3.427 1896 3HG2 THR 101 3HG2 THR 101 -5.881 -10.793 5.145 1897 H LEU 102 H LEU 102 -10.253 -10.227 3.189 1898 HA LEU 102 HA LEU 102 -11.826 -11.258 5.176 1899 1HB LEU 102 2HB LEU 102 -12.514 -9.566 2.797 1900 2HB LEU 102 3HB LEU 102 -13.709 -9.984 4.009 1901 HG LEU 102 HG LEU 102 -11.186 -8.390 4.445 1902 1HD1 LEU 102 1HD1 LEU 102 -14.089 -7.724 4.231 1903 2HD1 LEU 102 2HD1 LEU 102 -13.029 -6.735 5.236 1904 3HD1 LEU 102 3HD1 LEU 102 -12.696 -6.916 3.514 1905 1HD2 LEU 102 1HD2 LEU 102 -13.214 -9.472 6.381 1906 2HD2 LEU 102 2HD2 LEU 102 -11.460 -9.662 6.405 1907 3HD2 LEU 102 3HD2 LEU 102 -12.181 -8.091 6.755 1908 H ARG 103 H ARG 103 -12.088 -11.905 1.684 1909 HA ARG 103 HA ARG 103 -14.406 -13.511 1.874 1910 1HB ARG 103 2HB ARG 103 -13.829 -14.299 -0.388 1911 2HB ARG 103 3HB ARG 103 -13.729 -12.551 -0.250 1912 1HG ARG 103 2HG ARG 103 -11.603 -12.547 -0.874 1913 2HG ARG 103 3HG ARG 103 -11.184 -13.786 0.312 1914 1HD ARG 103 2HD ARG 103 -12.228 -14.174 -2.484 1915 2HD ARG 103 3HD ARG 103 -10.669 -14.668 -1.829 1916 HE ARG 103 HE ARG 103 -13.263 -15.881 -1.088 1917 1HH1 ARG 103 1HH1 ARG 103 -9.805 -16.125 -1.662 1918 2HH1 ARG 103 2HH1 ARG 103 -9.728 -17.802 -1.204 1919 1HH2 ARG 103 1HH2 ARG 103 -13.157 -18.096 -0.525 1920 2HH2 ARG 103 2HH2 ARG 103 -11.627 -18.927 -0.568 1921 H GLU 104 H GLU 104 -11.025 -14.177 2.301 1922 HA GLU 104 HA GLU 104 -11.273 -17.039 2.368 1923 1HB GLU 104 2HB GLU 104 -9.145 -15.099 2.461 1924 2HB GLU 104 3HB GLU 104 -8.951 -16.270 3.758 1925 1HG GLU 104 2HG GLU 104 -8.704 -18.042 2.302 1926 2HG GLU 104 3HG GLU 104 -9.505 -17.198 0.977 1927 H TYR 105 H TYR 105 -12.264 -14.643 4.427 1928 HA TYR 105 HA TYR 105 -11.886 -16.298 6.825 1929 1HB TYR 105 HB2 TYR 105 -12.884 -13.446 6.638 1930 2HB TYR 105 HB3 TYR 105 -12.580 -14.341 8.125 1931 HD1 TYR 105 HD1 TYR 105 -9.987 -15.668 6.910 1932 HD2 TYR 105 HD2 TYR 105 -11.362 -11.658 7.283 1933 HE1 TYR 105 HE1 TYR 105 -7.663 -14.876 6.881 1934 HE2 TYR 105 HE2 TYR 105 -9.037 -10.855 7.253 1935 HH TYR 105 HH TYR 105 -6.895 -11.428 6.880 1936 H GLY 106 H GLY 106 -14.075 -15.599 4.401 1937 1HA GLY 106 1HA GLY 106 -15.952 -17.188 4.383 1938 2HA GLY 106 2HA GLY 106 -16.263 -16.713 6.045 1939 H PHE 107 H PHE 107 -15.407 -14.315 3.671 1940 HA PHE 107 HA PHE 107 -17.884 -12.944 4.112 1941 1HB PHE 107 2HB PHE 107 -15.319 -12.352 2.813 1942 2HB PHE 107 3HB PHE 107 -16.711 -11.620 2.020 1943 HD1 PHE 107 HD1 PHE 107 -15.212 -12.052 5.398 1944 HD2 PHE 107 HD2 PHE 107 -17.506 -9.594 2.784 1945 HE1 PHE 107 HE1 PHE 107 -15.233 -10.268 7.095 1946 HE2 PHE 107 HE2 PHE 107 -17.530 -7.809 4.476 1947 HZ PHE 107 HZ PHE 107 -16.392 -8.142 6.635 1948 H LYS 108 H LYS 108 -19.430 -12.391 2.533 1949 HA LYS 108 HA LYS 108 -20.115 -14.612 0.904 1950 1HB LYS 108 2HB LYS 108 -21.479 -12.518 2.116 1951 2HB LYS 108 3HB LYS 108 -21.679 -12.212 0.396 1952 1HG LYS 108 2HG LYS 108 -22.330 -14.730 0.303 1953 2HG LYS 108 3HG LYS 108 -22.613 -14.521 2.033 1954 1HD LYS 108 2HD LYS 108 -24.162 -12.704 1.579 1955 2HD LYS 108 3HD LYS 108 -23.847 -12.844 -0.152 1956 1HE LYS 108 2HE LYS 108 -24.977 -14.861 -0.323 1957 2HE LYS 108 3HE LYS 108 -24.813 -15.214 1.397 1958 1HZ LYS 108 HZ1 LYS 108 -26.500 -13.023 0.315 1959 2HZ LYS 108 HZ2 LYS 108 -27.086 -14.570 0.694 1960 3HZ LYS 108 HZ3 LYS 108 -26.444 -13.583 1.916 1961 H THR 109 H THR 109 -20.202 -11.236 -0.181 1962 HA THR 109 HA THR 109 -18.858 -12.094 -2.656 1963 HB THR 109 HB THR 109 -20.751 -9.831 -2.849 1964 HG1 THR 109 HG1 THR 109 -21.564 -12.505 -2.310 1965 1HG2 THR 109 1HG2 THR 109 -19.694 -12.032 -4.506 1966 2HG2 THR 109 2HG2 THR 109 -21.364 -11.566 -4.831 1967 3HG2 THR 109 3HG2 THR 109 -20.076 -10.367 -4.945 1968 H ILE 110 H ILE 110 -16.922 -11.217 -2.640 1969 HA ILE 110 HA ILE 110 -16.633 -8.448 -1.690 1970 HB ILE 110 HB ILE 110 -15.448 -10.378 -0.463 1971 1HG1 ILE 110 2HG1 ILE 110 -13.396 -8.381 -1.179 1972 2HG1 ILE 110 3HG1 ILE 110 -14.943 -7.736 -0.631 1973 1HG2 ILE 110 1HG2 ILE 110 -14.221 -10.607 -3.063 1974 2HG2 ILE 110 2HG2 ILE 110 -13.015 -10.322 -1.806 1975 3HG2 ILE 110 3HG2 ILE 110 -14.125 -11.686 -1.670 1976 1HD1 ILE 110 1HD1 ILE 110 -14.407 -9.736 1.184 1977 2HD1 ILE 110 2HD1 ILE 110 -12.826 -9.023 0.868 1978 3HD1 ILE 110 3HD1 ILE 110 -14.155 -8.006 1.426 1979 H TYR 111 H TYR 111 -15.925 -6.922 -3.075 1980 HA TYR 111 HA TYR 111 -15.116 -7.860 -5.745 1981 1HB TYR 111 HB2 TYR 111 -16.237 -5.125 -5.153 1982 2HB TYR 111 HB3 TYR 111 -16.171 -5.971 -6.693 1983 HD1 TYR 111 HD1 TYR 111 -17.883 -5.881 -3.407 1984 HD2 TYR 111 HD2 TYR 111 -17.959 -7.348 -7.401 1985 HE1 TYR 111 HE1 TYR 111 -20.200 -6.632 -3.080 1986 HE2 TYR 111 HE2 TYR 111 -20.276 -8.101 -7.083 1987 HH TYR 111 HH TYR 111 -22.223 -7.093 -4.606 1988 H ASN 112 H ASN 112 -13.411 -6.930 -6.794 1989 HA ASN 112 HA ASN 112 -11.770 -5.008 -5.270 1990 1HB ASN 112 2HB ASN 112 -10.714 -7.287 -5.643 1991 2HB ASN 112 3HB ASN 112 -10.759 -6.948 -7.370 1992 1HD2 ASN 112 1HD2 ASN 112 -8.889 -6.837 -4.662 1993 2HD2 ASN 112 2HD2 ASN 112 -7.707 -5.679 -5.186 1994 H SER 113 H SER 113 -11.135 -3.177 -6.363 1995 HA SER 113 HA SER 113 -12.729 -2.525 -8.664 1996 1HB SER 113 2HB SER 113 -10.688 -0.824 -7.225 1997 2HB SER 113 3HB SER 113 -11.957 -0.260 -8.313 1998 HG SER 113 HG SER 113 -12.272 -1.479 -5.764 1999 H GLU 114 H GLU 114 -12.095 -3.193 -10.581 2000 HA GLU 114 HA GLU 114 -9.410 -3.794 -11.268 2001 1HB GLU 114 2HB GLU 114 -12.041 -3.947 -12.549 2002 2HB GLU 114 3HB GLU 114 -10.718 -3.673 -13.675 2003 1HG GLU 114 2HG GLU 114 -10.153 -5.745 -11.707 2004 2HG GLU 114 3HG GLU 114 -11.545 -6.102 -12.727 2005 H GLY 115 H GLY 115 -9.801 -0.989 -10.522 2006 1HA GLY 115 1HA GLY 115 -8.440 0.170 -12.841 2007 2HA GLY 115 2HA GLY 115 -9.865 1.002 -12.238 2008 H GLY 116 H GLY 116 -9.814 1.583 -9.899 2009 1HA GLY 116 1HA GLY 116 -8.086 1.772 -8.009 2010 2HA GLY 116 2HA GLY 116 -7.122 2.573 -9.245 2011 H MET 117 H MET 117 -7.367 4.162 -7.280 2012 HA MET 117 HA MET 117 -9.750 5.606 -6.916 2013 1HB MET 117 2HB MET 117 -7.126 5.691 -5.918 2014 2HB MET 117 3HB MET 117 -7.412 7.279 -6.615 2015 1HG MET 117 2HG MET 117 -8.111 7.559 -4.445 2016 2HG MET 117 3HG MET 117 -9.622 7.205 -5.282 2017 1HE MET 117 1HE MET 117 -8.810 7.161 -2.254 2018 2HE MET 117 2HE MET 117 -10.461 6.567 -2.424 2019 3HE MET 117 3HE MET 117 -9.277 5.630 -1.513 2020 H ASP 118 H ASP 118 -7.203 5.839 -9.266 2021 HA ASP 118 HA ASP 118 -7.839 8.365 -10.335 2022 1HB ASP 118 2HB ASP 118 -6.506 7.584 -12.310 2023 2HB ASP 118 3HB ASP 118 -5.667 7.449 -10.773 2024 H LYS 119 H LYS 119 -9.155 5.153 -10.833 2025 HA LYS 119 HA LYS 119 -10.458 5.763 -13.287 2026 1HB LYS 119 2HB LYS 119 -10.149 3.486 -11.516 2027 2HB LYS 119 3HB LYS 119 -11.812 3.644 -12.067 2028 1HG LYS 119 2HG LYS 119 -10.337 2.188 -13.474 2029 2HG LYS 119 3HG LYS 119 -11.186 3.471 -14.335 2030 1HD LYS 119 2HD LYS 119 -8.728 4.562 -13.489 2031 2HD LYS 119 3HD LYS 119 -8.368 2.966 -14.157 2032 1HE LYS 119 2HE LYS 119 -9.661 3.566 -16.181 2033 2HE LYS 119 3HE LYS 119 -9.896 5.182 -15.522 2034 1HZ LYS 119 HZ1 LYS 119 -7.153 4.581 -15.460 2035 2HZ LYS 119 HZ2 LYS 119 -7.735 4.222 -17.012 2036 3HZ LYS 119 HZ3 LYS 119 -7.951 5.776 -16.363 2037 H TRP 120 H TRP 120 -11.304 5.992 -9.887 2038 HA TRP 120 HA TRP 120 -14.088 6.271 -10.155 2039 1HB TRP 120 HB2 TRP 120 -12.587 6.085 -8.016 2040 2HB TRP 120 HB3 TRP 120 -12.561 7.842 -8.106 2041 HD1 TRP 120 HD1 TRP 120 -14.653 9.119 -7.288 2042 HE1 TRP 120 HE1 TRP 120 -16.882 8.435 -6.211 2043 HE3 TRP 120 HE3 TRP 120 -14.394 4.067 -8.020 2044 HZ2 TRP 120 HZ2 TRP 120 -18.330 6.068 -5.714 2045 HZ3 TRP 120 HZ3 TRP 120 -16.243 2.662 -7.203 2046 HH2 TRP 120 HH2 TRP 120 -18.169 3.645 -6.073 2047 H LEU 121 H LEU 121 -11.523 8.744 -10.087 2048 HA LEU 121 HA LEU 121 -13.273 10.917 -10.617 2049 1HB LEU 121 2HB LEU 121 -10.395 10.475 -10.338 2050 2HB LEU 121 3HB LEU 121 -10.785 11.695 -11.534 2051 HG LEU 121 HG LEU 121 -11.348 11.721 -8.579 2052 1HD1 LEU 121 1HD1 LEU 121 -9.459 12.933 -10.337 2053 2HD1 LEU 121 2HD1 LEU 121 -10.466 14.188 -9.615 2054 3HD1 LEU 121 3HD1 LEU 121 -9.587 13.061 -8.583 2055 1HD2 LEU 121 1HD2 LEU 121 -13.033 12.784 -10.677 2056 2HD2 LEU 121 2HD2 LEU 121 -13.299 12.734 -8.935 2057 3HD2 LEU 121 3HD2 LEU 121 -12.393 14.068 -9.650 2058 H GLU 122 H GLU 122 -11.361 8.745 -12.631 2059 HA GLU 122 HA GLU 122 -11.604 10.210 -15.035 2060 1HB GLU 122 2HB GLU 122 -10.359 7.826 -14.177 2061 2HB GLU 122 3HB GLU 122 -11.354 7.408 -15.566 2062 1HG GLU 122 2HG GLU 122 -10.235 9.541 -16.603 2063 2HG GLU 122 3HG GLU 122 -8.999 9.208 -15.389 2064 H GLU 123 H GLU 123 -13.487 7.485 -13.750 2065 HA GLU 123 HA GLU 123 -15.126 7.368 -16.101 2066 1HB GLU 123 2HB GLU 123 -15.503 5.998 -13.429 2067 2HB GLU 123 3HB GLU 123 -16.337 5.594 -14.925 2068 1HG GLU 123 2HG GLU 123 -14.039 5.152 -15.911 2069 2HG GLU 123 3HG GLU 123 -13.428 5.237 -14.262 2070 H GLY 124 H GLY 124 -15.020 9.686 -13.978 2071 1HA GLY 124 1HA GLY 124 -16.434 11.460 -13.664 2072 2HA GLY 124 2HA GLY 124 -17.604 10.623 -14.672 2073 H LEU 125 H LEU 125 -16.416 8.982 -11.889 2074 HA LEU 125 HA LEU 125 -19.068 8.906 -10.788 2075 1HB LEU 125 2HB LEU 125 -16.451 7.740 -9.851 2076 2HB LEU 125 3HB LEU 125 -17.985 7.472 -9.043 2077 HG LEU 125 HG LEU 125 -17.380 6.672 -11.891 2078 1HD1 LEU 125 1HD1 LEU 125 -16.833 5.400 -9.343 2079 2HD1 LEU 125 2HD1 LEU 125 -17.840 4.404 -10.398 2080 3HD1 LEU 125 3HD1 LEU 125 -16.271 4.982 -10.964 2081 1HD2 LEU 125 1HD2 LEU 125 -19.827 7.073 -10.599 2082 2HD2 LEU 125 2HD2 LEU 125 -19.546 6.232 -12.123 2083 3HD2 LEU 125 3HD2 LEU 125 -19.579 5.326 -10.610 2084 HA PRO 126 HA PRO 126 -18.902 12.104 -7.787 2085 1HB PRO 126 2HB PRO 126 -19.994 10.944 -5.576 2086 2HB PRO 126 3HB PRO 126 -20.945 11.422 -6.989 2087 1HG PRO 126 2HG PRO 126 -19.836 8.721 -6.284 2088 2HG PRO 126 3HG PRO 126 -21.473 9.149 -6.839 2089 1HD PRO 126 2HD PRO 126 -19.672 8.152 -8.536 2090 2HD PRO 126 3HD PRO 126 -20.776 9.449 -9.042 2091 H SER 127 H SER 127 -16.869 12.639 -7.222 2092 HA SER 127 HA SER 127 -15.722 11.200 -4.938 2093 1HB SER 127 2HB SER 127 -13.767 12.625 -6.593 2094 2HB SER 127 3HB SER 127 -13.698 10.994 -5.926 2095 HG SER 127 HG SER 127 -15.531 11.188 -7.924 2096 H LEU 128 H LEU 128 -14.662 12.564 -3.401 2097 HA LEU 128 HA LEU 128 -15.812 15.194 -3.257 2098 1HB LEU 128 2HB LEU 128 -14.137 13.474 -1.505 2099 2HB LEU 128 3HB LEU 128 -14.049 15.206 -1.243 2100 HG LEU 128 HG LEU 128 -16.797 14.277 -1.446 2101 1HD1 LEU 128 1HD1 LEU 128 -15.080 13.148 0.755 2102 2HD1 LEU 128 2HD1 LEU 128 -16.843 13.112 0.708 2103 3HD1 LEU 128 3HD1 LEU 128 -15.910 12.232 -0.502 2104 1HD2 LEU 128 1HD2 LEU 128 -16.094 16.473 -0.616 2105 2HD2 LEU 128 2HD2 LEU 128 -17.021 15.580 0.590 2106 3HD2 LEU 128 3HD2 LEU 128 -15.266 15.692 0.731 2107 H ASP 129 H ASP 129 -15.047 16.548 -4.743 2108 HA ASP 129 HA ASP 129 -12.159 17.075 -4.778 2109 1HB ASP 129 2HB ASP 129 -12.372 15.821 -6.740 2110 2HB ASP 129 3HB ASP 129 -13.981 16.441 -7.081 2111 H ARG 130 H ARG 130 -12.371 18.905 -3.604 2112 HA ARG 130 HA ARG 130 -12.821 21.052 -3.042 2113 1HB ARG 130 2HB ARG 130 -12.926 21.409 -6.039 2114 2HB ARG 130 3HB ARG 130 -12.686 22.688 -4.854 2115 1HG ARG 130 2HG ARG 130 -10.540 22.004 -4.352 2116 2HG ARG 130 3HG ARG 130 -10.820 20.360 -4.930 2117 1HD ARG 130 2HD ARG 130 -11.187 22.316 -7.026 2118 2HD ARG 130 3HD ARG 130 -9.580 22.425 -6.307 2119 HE ARG 130 HE ARG 130 -10.723 19.986 -7.531 2120 1HH1 ARG 130 1HH1 ARG 130 -7.968 21.887 -6.490 2121 2HH1 ARG 130 2HH1 ARG 130 -6.816 20.916 -7.366 2122 1HH2 ARG 130 1HH2 ARG 130 -9.201 18.715 -8.683 2123 2HH2 ARG 130 2HH2 ARG 130 -7.509 19.123 -8.591 2124 H SER 131 H SER 131 -14.726 21.394 -5.974 2125 HA SER 131 HA SER 131 -16.883 21.927 -6.358 2126 1HB SER 131 2HB SER 131 -17.665 20.563 -3.786 2127 2HB SER 131 3HB SER 131 -18.566 20.665 -5.301 2128 HG SER 131 HG SER 131 -16.074 19.448 -5.429 2129 H HIS 132 H HIS 132 -18.045 21.981 -3.157 2130 HA HIS 132 HA HIS 132 -17.155 24.527 -2.342 2131 1HB HIS 132 2HB HIS 132 -19.313 24.576 -4.227 2132 2HB HIS 132 3HB HIS 132 -19.927 25.093 -2.661 2133 HD1 HIS 132 HD1 HIS 132 -16.785 25.863 -4.677 2134 HD2 HIS 132 HD2 HIS 132 -19.725 27.774 -2.444 2135 HE1 HIS 132 HE1 HIS 132 -16.223 28.312 -4.776 2136 HE2 HIS 132 HE2 HIS 132 -17.898 29.422 -3.258 2137 H HIS 133 H HIS 133 -20.517 24.069 -1.850 2138 HA HIS 133 HA HIS 133 -20.119 22.361 0.474 2139 1HB HIS 133 2HB HIS 133 -20.661 25.238 0.620 2140 2HB HIS 133 3HB HIS 133 -21.834 24.264 1.504 2141 HD1 HIS 133 HD1 HIS 133 -18.275 25.358 1.542 2142 HD2 HIS 133 HD2 HIS 133 -20.782 22.848 3.710 2143 HE1 HIS 133 HE1 HIS 133 -17.011 24.783 3.640 2144 HE2 HIS 133 HE2 HIS 133 -18.480 23.126 4.852 2145 H HIS 134 H HIS 134 -22.138 21.468 1.281 2146 HA HIS 134 HA HIS 134 -24.237 21.542 -0.790 2147 1HB HIS 134 2HB HIS 134 -22.885 19.346 -0.162 2148 2HB HIS 134 3HB HIS 134 -24.056 19.279 1.152 2149 HD1 HIS 134 HD1 HIS 134 -25.949 17.800 0.566 2150 HD2 HIS 134 HD2 HIS 134 -24.490 19.835 -2.758 2151 HE1 HIS 134 HE1 HIS 134 -27.401 17.088 -1.359 2152 HE2 HIS 134 HE2 HIS 134 -26.393 18.195 -3.388 2153 H HIS 135 H HIS 135 -23.723 23.126 1.775 2154 HA HIS 135 HA HIS 135 -26.465 22.869 2.790 2155 1HB HIS 135 2HB HIS 135 -24.283 22.112 4.288 2156 2HB HIS 135 3HB HIS 135 -24.521 23.780 4.795 2157 HD1 HIS 135 HD1 HIS 135 -26.605 24.309 6.219 2158 HD2 HIS 135 HD2 HIS 135 -26.371 20.347 4.952 2159 HE1 HIS 135 HE1 HIS 135 -28.342 23.062 7.545 2160 HE2 HIS 135 HE2 HIS 135 -28.095 20.646 6.856 2161 H HIS 136 H HIS 136 -27.099 24.632 1.557 2162 HA HIS 136 HA HIS 136 -25.732 27.178 2.015 2163 1HB HIS 136 2HB HIS 136 -26.855 26.173 -0.256 2164 2HB HIS 136 3HB HIS 136 -28.183 27.150 0.364 2165 HD1 HIS 136 HD1 HIS 136 -26.571 27.824 -2.255 2166 HD2 HIS 136 HD2 HIS 136 -25.927 29.506 1.497 2167 HE1 HIS 136 HE1 HIS 136 -25.459 30.041 -2.683 2168 HE2 HIS 136 HE2 HIS 136 -25.256 31.121 -0.410 2169 H HIS 137 H HIS 137 -26.921 26.031 4.211 2170 HA HIS 137 HA HIS 137 -28.691 28.128 5.056 2171 1HB HIS 137 2HB HIS 137 -30.110 26.223 3.942 2172 2HB HIS 137 3HB HIS 137 -29.735 25.325 5.408 2173 HD1 HIS 137 HD1 HIS 137 -30.032 27.707 7.417 2174 HD2 HIS 137 HD2 HIS 137 -32.771 26.711 4.449 2175 HE1 HIS 137 HE1 HIS 137 -32.241 28.632 8.194 2176 HE2 HIS 137 HE2 HIS 137 -33.916 27.820 6.496 Start of MODEL 3 1 1H ALA 1 H1 ALA 1 -23.079 -11.701 11.536 2 2H ALA 1 H2 ALA 1 -23.437 -12.174 13.131 3 3H ALA 1 H3 ALA 1 -24.654 -12.183 11.949 4 HA ALA 1 HA ALA 1 -24.143 -9.699 11.715 5 1HB ALA 1 1HB ALA 1 -25.842 -11.177 13.572 6 2HB ALA 1 2HB ALA 1 -25.528 -9.512 14.066 7 3HB ALA 1 3HB ALA 1 -26.234 -9.845 12.483 8 H ASP 2 H ASP 2 -21.943 -11.284 13.385 9 HA ASP 2 HA ASP 2 -20.687 -8.968 14.412 10 1HB ASP 2 2HB ASP 2 -22.476 -9.541 16.173 11 2HB ASP 2 3HB ASP 2 -21.455 -10.917 16.569 12 H MET 3 H MET 3 -20.046 -11.017 12.620 13 HA MET 3 HA MET 3 -18.264 -12.840 14.036 14 1HB MET 3 2HB MET 3 -19.187 -12.594 11.188 15 2HB MET 3 3HB MET 3 -17.809 -13.606 11.600 16 1HG MET 3 2HG MET 3 -19.436 -15.167 11.725 17 2HG MET 3 3HG MET 3 -19.522 -14.562 13.380 18 1HE MET 3 1HE MET 3 -21.038 -15.612 10.504 19 2HE MET 3 2HE MET 3 -22.756 -15.323 10.768 20 3HE MET 3 3HE MET 3 -21.819 -14.211 9.771 21 H GLY 4 H GLY 4 -17.986 -9.766 13.345 22 1HA GLY 4 1HA GLY 4 -15.695 -9.429 11.776 23 2HA GLY 4 2HA GLY 4 -16.244 -8.313 13.017 24 H GLU 5 H GLU 5 -16.026 -10.050 15.200 25 HA GLU 5 HA GLU 5 -13.307 -9.728 15.923 26 1HB GLU 5 2HB GLU 5 -15.727 -10.808 17.150 27 2HB GLU 5 3HB GLU 5 -14.279 -11.684 17.626 28 1HG GLU 5 2HG GLU 5 -13.863 -8.833 17.718 29 2HG GLU 5 3HG GLU 5 -15.242 -9.317 18.703 30 H LYS 6 H LYS 6 -15.167 -12.434 14.757 31 HA LYS 6 HA LYS 6 -13.357 -14.487 15.195 32 1HB LYS 6 2HB LYS 6 -15.350 -14.327 12.931 33 2HB LYS 6 3HB LYS 6 -14.633 -15.790 13.590 34 1HG LYS 6 2HG LYS 6 -16.480 -13.910 15.049 35 2HG LYS 6 3HG LYS 6 -16.909 -15.486 14.385 36 1HD LYS 6 2HD LYS 6 -15.368 -16.579 15.911 37 2HD LYS 6 3HD LYS 6 -14.841 -15.012 16.532 38 1HE LYS 6 2HE LYS 6 -17.727 -15.358 16.646 39 2HE LYS 6 3HE LYS 6 -16.860 -16.587 17.566 40 1HZ LYS 6 HZ1 LYS 6 -15.558 -14.455 18.387 41 2HZ LYS 6 HZ2 LYS 6 -17.033 -13.705 18.009 42 3HZ LYS 6 HZ3 LYS 6 -16.991 -14.974 19.133 43 H PHE 7 H PHE 7 -13.855 -12.741 12.077 44 HA PHE 7 HA PHE 7 -11.574 -14.095 10.986 45 1HB PHE 7 2HB PHE 7 -11.930 -12.594 8.990 46 2HB PHE 7 3HB PHE 7 -13.259 -13.661 9.407 47 HD1 PHE 7 HD1 PHE 7 -12.123 -10.185 10.194 48 HD2 PHE 7 HD2 PHE 7 -15.355 -12.780 9.245 49 HE1 PHE 7 HE1 PHE 7 -13.646 -8.258 10.131 50 HE2 PHE 7 HE2 PHE 7 -16.885 -10.856 9.188 51 HZ PHE 7 HZ PHE 7 -16.031 -8.590 9.628 52 H ASP 8 H ASP 8 -12.059 -11.144 12.641 53 HA ASP 8 HA ASP 8 -9.997 -9.523 11.743 54 1HB ASP 8 2HB ASP 8 -11.691 -8.832 13.404 55 2HB ASP 8 3HB ASP 8 -10.930 -9.868 14.605 56 H ALA 9 H ALA 9 -9.880 -12.080 14.204 57 HA ALA 9 HA ALA 9 -7.130 -11.799 14.811 58 1HB ALA 9 1HB ALA 9 -9.162 -13.956 15.238 59 2HB ALA 9 2HB ALA 9 -7.460 -14.239 15.609 60 3HB ALA 9 3HB ALA 9 -8.339 -12.945 16.428 61 H THR 10 H THR 10 -8.911 -13.837 12.520 62 HA THR 10 HA THR 10 -6.752 -15.399 11.660 63 HB THR 10 HB THR 10 -8.707 -14.768 9.565 64 HG1 THR 10 HG1 THR 10 -10.491 -15.429 10.667 65 1HG2 THR 10 1HG2 THR 10 -7.092 -16.771 9.824 66 2HG2 THR 10 2HG2 THR 10 -8.296 -17.398 10.949 67 3HG2 THR 10 3HG2 THR 10 -8.734 -17.082 9.270 68 H PHE 11 H PHE 11 -7.971 -12.280 10.490 69 HA PHE 11 HA PHE 11 -6.313 -11.997 8.250 70 1HB PHE 11 2HB PHE 11 -8.288 -10.504 9.276 71 2HB PHE 11 3HB PHE 11 -6.921 -9.583 9.890 72 HD1 PHE 11 HD1 PHE 11 -5.011 -9.312 7.928 73 HD2 PHE 11 HD2 PHE 11 -9.211 -9.675 7.365 74 HE1 PHE 11 HE1 PHE 11 -4.818 -8.155 5.767 75 HE2 PHE 11 HE2 PHE 11 -9.026 -8.525 5.202 76 HZ PHE 11 HZ PHE 11 -6.828 -7.761 4.400 77 H LYS 12 H LYS 12 -5.831 -11.057 11.620 78 HA LYS 12 HA LYS 12 -3.265 -9.917 11.277 79 1HB LYS 12 2HB LYS 12 -4.897 -9.656 13.238 80 2HB LYS 12 3HB LYS 12 -4.264 -11.190 13.817 81 1HG LYS 12 2HG LYS 12 -3.196 -9.264 14.889 82 2HG LYS 12 3HG LYS 12 -2.046 -10.258 13.992 83 1HD LYS 12 2HD LYS 12 -1.451 -8.524 12.735 84 2HD LYS 12 3HD LYS 12 -3.131 -8.220 12.282 85 1HE LYS 12 2HE LYS 12 -3.389 -6.590 13.829 86 2HE LYS 12 3HE LYS 12 -2.352 -7.398 15.005 87 1HZ LYS 12 HZ1 LYS 12 -1.319 -6.032 12.578 88 2HZ LYS 12 HZ2 LYS 12 -1.455 -5.277 14.097 89 3HZ LYS 12 HZ3 LYS 12 -0.427 -6.613 13.904 90 H ALA 13 H ALA 13 -4.356 -13.204 11.656 91 HA ALA 13 HA ALA 13 -1.826 -14.278 12.462 92 1HB ALA 13 1HB ALA 13 -4.438 -15.427 11.598 93 2HB ALA 13 2HB ALA 13 -3.011 -16.462 11.653 94 3HB ALA 13 3HB ALA 13 -3.561 -15.639 13.114 95 H GLN 14 H GLN 14 -3.538 -13.921 9.417 96 HA GLN 14 HA GLN 14 -1.593 -15.352 7.868 97 1HB GLN 14 2HB GLN 14 -4.031 -13.765 7.291 98 2HB GLN 14 3HB GLN 14 -2.839 -13.876 6.001 99 1HG GLN 14 2HG GLN 14 -2.974 -16.452 6.732 100 2HG GLN 14 3HG GLN 14 -4.610 -15.936 7.131 101 1HE2 GLN 14 1HE2 GLN 14 -5.791 -14.790 5.410 102 2HE2 GLN 14 2HE2 GLN 14 -5.545 -15.296 3.774 103 H VAL 15 H VAL 15 -2.360 -11.928 8.336 104 HA VAL 15 HA VAL 15 -0.356 -10.935 6.648 105 HB VAL 15 HB VAL 15 -2.184 -9.799 8.665 106 1HG1 VAL 15 1HG1 VAL 15 0.523 -8.697 8.282 107 2HG1 VAL 15 2HG1 VAL 15 -0.807 -7.543 8.170 108 3HG1 VAL 15 3HG1 VAL 15 -0.603 -8.515 9.627 109 1HG2 VAL 15 1HG2 VAL 15 -2.389 -9.943 6.088 110 2HG2 VAL 15 2HG2 VAL 15 -2.886 -8.461 6.902 111 3HG2 VAL 15 3HG2 VAL 15 -1.324 -8.536 6.088 112 H LYS 16 H LYS 16 -0.252 -11.830 10.061 113 HA LYS 16 HA LYS 16 2.235 -10.596 10.644 114 1HB LYS 16 2HB LYS 16 0.449 -12.527 11.968 115 2HB LYS 16 3HB LYS 16 2.148 -12.682 12.392 116 1HG LYS 16 2HG LYS 16 1.975 -10.082 12.713 117 2HG LYS 16 3HG LYS 16 0.258 -10.446 12.904 118 1HD LYS 16 2HD LYS 16 0.581 -11.243 14.959 119 2HD LYS 16 3HD LYS 16 1.890 -12.294 14.412 120 1HE LYS 16 2HE LYS 16 3.257 -10.068 14.369 121 2HE LYS 16 3HE LYS 16 2.005 -9.507 15.475 122 1HZ LYS 16 HZ1 LYS 16 3.265 -12.087 16.037 123 2HZ LYS 16 HZ2 LYS 16 4.179 -10.687 16.327 124 3HZ LYS 16 HZ3 LYS 16 2.687 -10.906 17.110 125 H ALA 17 H ALA 17 1.364 -13.652 9.200 126 HA ALA 17 HA ALA 17 3.831 -14.986 9.466 127 1HB ALA 17 1HB ALA 17 1.780 -16.132 8.804 128 2HB ALA 17 2HB ALA 17 1.768 -15.242 7.281 129 3HB ALA 17 3HB ALA 17 3.062 -16.393 7.620 130 H ALA 18 H ALA 18 2.776 -12.432 7.410 131 HA ALA 18 HA ALA 18 4.741 -12.718 5.372 132 1HB ALA 18 1HB ALA 18 2.514 -11.008 5.914 133 2HB ALA 18 2HB ALA 18 3.908 -10.042 5.435 134 3HB ALA 18 3HB ALA 18 3.327 -11.335 4.386 135 H LYS 19 H LYS 19 4.714 -11.110 8.502 136 HA LYS 19 HA LYS 19 7.143 -9.635 7.975 137 1HB LYS 19 2HB LYS 19 6.914 -8.722 10.084 138 2HB LYS 19 3HB LYS 19 5.240 -9.027 9.647 139 1HG LYS 19 2HG LYS 19 4.950 -10.458 11.333 140 2HG LYS 19 3HG LYS 19 6.484 -11.274 11.025 141 1HD LYS 19 2HD LYS 19 6.956 -8.638 12.065 142 2HD LYS 19 3HD LYS 19 5.862 -9.524 13.130 143 1HE LYS 19 2HE LYS 19 7.418 -11.177 13.570 144 2HE LYS 19 3HE LYS 19 8.331 -10.852 12.099 145 1HZ LYS 19 HZ1 LYS 19 8.532 -8.530 13.497 146 2HZ LYS 19 HZ2 LYS 19 8.611 -9.702 14.714 147 3HZ LYS 19 HZ3 LYS 19 9.713 -9.745 13.429 148 H ALA 20 H ALA 20 6.199 -12.729 9.006 149 HA ALA 20 HA ALA 20 8.672 -13.373 10.369 150 1HB ALA 20 1HB ALA 20 6.102 -14.407 10.437 151 2HB ALA 20 2HB ALA 20 7.054 -15.670 9.655 152 3HB ALA 20 3HB ALA 20 7.523 -15.067 11.245 153 H ASP 21 H ASP 21 7.459 -13.471 7.185 154 HA ASP 21 HA ASP 21 8.832 -15.667 6.138 155 1HB ASP 21 2HB ASP 21 6.926 -14.085 5.187 156 2HB ASP 21 3HB ASP 21 8.297 -13.299 4.411 157 H MET 22 H MET 22 9.983 -12.508 6.927 158 HA MET 22 HA MET 22 12.581 -13.201 5.755 159 1HB MET 22 2HB MET 22 12.861 -10.964 4.866 160 2HB MET 22 3HB MET 22 11.402 -11.688 4.204 161 1HG MET 22 2HG MET 22 10.731 -10.282 6.586 162 2HG MET 22 3HG MET 22 11.686 -9.229 5.544 163 1HE MET 22 1HE MET 22 11.240 -8.323 3.661 164 2HE MET 22 2HE MET 22 10.449 -9.260 2.393 165 3HE MET 22 3HE MET 22 9.614 -7.894 3.131 166 H VAL 23 H VAL 23 14.116 -11.155 6.418 167 HA VAL 23 HA VAL 23 14.239 -11.346 9.308 168 HB VAL 23 HB VAL 23 16.157 -10.031 7.371 169 1HG1 VAL 23 1HG1 VAL 23 16.493 -10.760 10.279 170 2HG1 VAL 23 2HG1 VAL 23 17.772 -10.159 9.225 171 3HG1 VAL 23 3HG1 VAL 23 16.392 -9.131 9.611 172 1HG2 VAL 23 1HG2 VAL 23 15.626 -12.729 7.662 173 2HG2 VAL 23 2HG2 VAL 23 17.079 -12.018 6.957 174 3HG2 VAL 23 3HG2 VAL 23 17.054 -12.469 8.663 175 H MET 24 H MET 24 13.174 -9.925 10.494 176 HA MET 24 HA MET 24 12.453 -7.325 9.464 177 1HB MET 24 2HB MET 24 11.956 -8.701 12.104 178 2HB MET 24 3HB MET 24 11.437 -7.052 11.779 179 1HG MET 24 2HG MET 24 10.551 -8.642 9.625 180 2HG MET 24 3HG MET 24 10.155 -9.500 11.112 181 1HE MET 24 1HE MET 24 10.273 -6.237 9.360 182 2HE MET 24 2HE MET 24 8.647 -6.556 8.755 183 3HE MET 24 3HE MET 24 8.911 -5.284 9.949 184 H LEU 25 H LEU 25 13.831 -5.693 9.474 185 HA LEU 25 HA LEU 25 15.751 -5.478 11.700 186 1HB LEU 25 2HB LEU 25 16.079 -5.369 8.789 187 2HB LEU 25 3HB LEU 25 16.839 -4.035 9.631 188 HG LEU 25 HG LEU 25 17.582 -6.891 9.546 189 1HD1 LEU 25 1HD1 LEU 25 18.702 -4.474 8.841 190 2HD1 LEU 25 2HD1 LEU 25 19.564 -4.918 10.315 191 3HD1 LEU 25 3HD1 LEU 25 19.537 -6.025 8.941 192 1HD2 LEU 25 1HD2 LEU 25 16.938 -6.640 11.904 193 2HD2 LEU 25 2HD2 LEU 25 18.678 -6.852 11.708 194 3HD2 LEU 25 3HD2 LEU 25 18.017 -5.251 12.039 195 H SER 26 H SER 26 16.092 -3.493 12.597 196 HA SER 26 HA SER 26 14.025 -1.524 12.276 197 1HB SER 26 2HB SER 26 16.591 -1.090 13.798 198 2HB SER 26 3HB SER 26 14.992 -0.421 14.124 199 HG SER 26 HG SER 26 15.794 -3.140 14.416 200 HA PRO 27 HA PRO 27 15.390 0.881 8.898 201 1HB PRO 27 2HB PRO 27 15.211 3.380 10.278 202 2HB PRO 27 3HB PRO 27 14.050 2.664 9.160 203 1HG PRO 27 2HG PRO 27 14.106 2.606 12.124 204 2HG PRO 27 3HG PRO 27 12.719 2.552 11.022 205 1HD PRO 27 2HD PRO 27 13.490 0.364 12.319 206 2HD PRO 27 3HD PRO 27 12.983 0.262 10.621 207 H LYS 28 H LYS 28 16.900 1.720 12.033 208 HA LYS 28 HA LYS 28 19.096 3.089 10.818 209 1HB LYS 28 2HB LYS 28 20.050 2.607 13.239 210 2HB LYS 28 3HB LYS 28 18.836 3.844 12.954 211 1HG LYS 28 2HG LYS 28 17.232 2.720 14.077 212 2HG LYS 28 3HG LYS 28 17.827 1.140 13.563 213 1HD LYS 28 2HD LYS 28 19.135 0.912 15.374 214 2HD LYS 28 3HD LYS 28 19.653 2.598 15.327 215 1HE LYS 28 2HE LYS 28 17.203 3.050 16.133 216 2HE LYS 28 3HE LYS 28 17.287 1.372 16.668 217 1HZ LYS 28 HZ1 LYS 28 19.325 3.397 17.404 218 2HZ LYS 28 HZ2 LYS 28 17.948 3.090 18.348 219 3HZ LYS 28 HZ3 LYS 28 19.088 1.863 18.083 220 H ASP 29 H ASP 29 18.561 -0.126 12.121 221 HA ASP 29 HA ASP 29 21.208 -1.118 11.799 222 1HB ASP 29 2HB ASP 29 18.574 -2.189 12.505 223 2HB ASP 29 3HB ASP 29 19.546 -3.318 11.567 224 H ALA 30 H ALA 30 18.454 -0.759 9.754 225 HA ALA 30 HA ALA 30 19.383 -2.439 7.627 226 1HB ALA 30 1HB ALA 30 16.968 -1.773 8.077 227 2HB ALA 30 2HB ALA 30 17.375 -0.223 7.341 228 3HB ALA 30 3HB ALA 30 17.514 -1.708 6.399 229 H TYR 31 H TYR 31 19.350 1.062 8.248 230 HA TYR 31 HA TYR 31 20.547 1.817 5.815 231 1HB TYR 31 HB2 TYR 31 19.391 3.437 7.225 232 2HB TYR 31 HB3 TYR 31 20.592 3.223 8.493 233 HD1 TYR 31 HD1 TYR 31 20.477 4.047 4.857 234 HD2 TYR 31 HD2 TYR 31 22.250 4.829 8.641 235 HE1 TYR 31 HE1 TYR 31 21.852 5.804 3.840 236 HE2 TYR 31 HE2 TYR 31 23.642 6.589 7.627 237 HH TYR 31 HH TYR 31 24.150 7.701 5.773 238 H LYS 32 H LYS 32 21.874 0.696 8.837 239 HA LYS 32 HA LYS 32 24.504 1.545 8.596 240 1HB LYS 32 2HB LYS 32 23.274 0.296 10.519 241 2HB LYS 32 3HB LYS 32 23.856 -1.156 9.716 242 1HG LYS 32 2HG LYS 32 25.837 -0.922 10.653 243 2HG LYS 32 3HG LYS 32 26.014 0.688 9.953 244 1HD LYS 32 2HD LYS 32 24.619 0.028 12.549 245 2HD LYS 32 3HD LYS 32 26.218 0.759 12.390 246 1HE LYS 32 2HE LYS 32 24.035 2.132 10.961 247 2HE LYS 32 3HE LYS 32 23.929 2.159 12.721 248 1HZ LYS 32 HZ1 LYS 32 26.508 2.816 11.501 249 2HZ LYS 32 HZ2 LYS 32 25.268 3.972 11.397 250 3HZ LYS 32 HZ3 LYS 32 25.789 3.416 12.915 251 H LEU 33 H LEU 33 23.123 -1.574 7.544 252 HA LEU 33 HA LEU 33 25.524 -2.394 6.246 253 1HB LEU 33 2HB LEU 33 23.794 -3.999 5.061 254 2HB LEU 33 3HB LEU 33 24.308 -4.251 6.717 255 HG LEU 33 HG LEU 33 22.092 -2.617 6.986 256 1HD1 LEU 33 1HD1 LEU 33 21.788 -3.230 4.474 257 2HD1 LEU 33 2HD1 LEU 33 21.236 -4.778 5.116 258 3HD1 LEU 33 3HD1 LEU 33 20.407 -3.288 5.572 259 1HD2 LEU 33 1HD2 LEU 33 22.472 -5.593 7.188 260 2HD2 LEU 33 2HD2 LEU 33 22.530 -4.393 8.479 261 3HD2 LEU 33 3HD2 LEU 33 20.995 -4.778 7.701 262 H LEU 34 H LEU 34 22.809 -0.470 5.304 263 HA LEU 34 HA LEU 34 23.039 -0.700 2.498 264 1HB LEU 34 2HB LEU 34 21.943 1.466 4.277 265 2HB LEU 34 3HB LEU 34 21.921 1.595 2.530 266 HG LEU 34 HG LEU 34 20.592 -0.624 4.081 267 1HD1 LEU 34 1HD1 LEU 34 19.468 1.916 2.919 268 2HD1 LEU 34 2HD1 LEU 34 18.492 0.549 3.464 269 3HD1 LEU 34 3HD1 LEU 34 19.493 1.436 4.616 270 1HD2 LEU 34 1HD2 LEU 34 21.010 -0.044 1.232 271 2HD2 LEU 34 2HD2 LEU 34 20.693 -1.574 2.047 272 3HD2 LEU 34 3HD2 LEU 34 19.362 -0.478 1.681 273 H GLN 35 H GLN 35 24.404 1.624 4.818 274 HA GLN 35 HA GLN 35 25.720 3.105 2.770 275 1HB GLN 35 2HB GLN 35 26.845 4.282 4.676 276 2HB GLN 35 3HB GLN 35 25.089 4.311 4.716 277 1HG GLN 35 2HG GLN 35 25.243 3.631 6.817 278 2HG GLN 35 3HG GLN 35 25.744 2.064 6.183 279 1HE2 GLN 35 1HE2 GLN 35 27.313 1.369 7.447 280 2HE2 GLN 35 2HE2 GLN 35 28.709 2.281 7.926 281 H GLU 36 H GLU 36 26.673 0.421 4.809 282 HA GLU 36 HA GLU 36 29.466 0.788 4.164 283 1HB GLU 36 2HB GLU 36 29.874 -0.494 5.965 284 2HB GLU 36 3HB GLU 36 28.169 -0.279 6.323 285 1HG GLU 36 2HG GLU 36 27.875 -2.406 4.854 286 2HG GLU 36 3HG GLU 36 29.587 -2.644 5.197 287 H ASN 37 H ASN 37 26.771 -1.036 2.985 288 HA ASN 37 HA ASN 37 28.573 -2.330 1.043 289 1HB ASN 37 2HB ASN 37 26.056 -3.430 2.304 290 2HB ASN 37 3HB ASN 37 26.755 -4.100 0.837 291 1HD2 ASN 37 1HD2 ASN 37 26.631 -4.338 4.118 292 2HD2 ASN 37 2HD2 ASN 37 28.067 -5.255 4.397 293 HA PRO 38 HA PRO 38 25.929 0.512 -1.359 294 1HB PRO 38 2HB PRO 38 27.995 0.087 -3.408 295 2HB PRO 38 3HB PRO 38 27.440 1.590 -2.666 296 1HG PRO 38 2HG PRO 38 29.857 0.552 -2.121 297 2HG PRO 38 3HG PRO 38 28.907 1.419 -0.899 298 1HD PRO 38 2HD PRO 38 29.268 -1.533 -1.274 299 2HD PRO 38 3HD PRO 38 29.255 -0.581 0.227 300 H ASP 39 H ASP 39 26.580 -2.718 -1.633 301 HA ASP 39 HA ASP 39 25.207 -3.051 -4.192 302 1HB ASP 39 2HB ASP 39 27.324 -4.409 -3.259 303 2HB ASP 39 3HB ASP 39 26.043 -5.403 -2.571 304 H ILE 40 H ILE 40 24.768 -3.198 -0.791 305 HA ILE 40 HA ILE 40 22.250 -4.630 -0.924 306 HB ILE 40 HB ILE 40 23.497 -3.103 1.373 307 1HG1 ILE 40 2HG1 ILE 40 23.340 -6.064 0.775 308 2HG1 ILE 40 3HG1 ILE 40 24.796 -5.076 0.775 309 1HG2 ILE 40 1HG2 ILE 40 20.925 -4.572 1.072 310 2HG2 ILE 40 2HG2 ILE 40 21.769 -4.650 2.618 311 3HG2 ILE 40 3HG2 ILE 40 21.280 -3.089 1.958 312 1HD1 ILE 40 1HD1 ILE 40 23.083 -5.651 3.181 313 2HD1 ILE 40 2HD1 ILE 40 24.602 -6.451 2.783 314 3HD1 ILE 40 3HD1 ILE 40 24.586 -4.729 3.162 315 H THR 41 H THR 41 20.594 -3.644 -1.787 316 HA THR 41 HA THR 41 20.463 -0.717 -1.711 317 HB THR 41 HB THR 41 18.617 -2.257 -3.454 318 HG1 THR 41 HG1 THR 41 21.272 -2.760 -3.401 319 1HG2 THR 41 1HG2 THR 41 19.900 0.358 -3.352 320 2HG2 THR 41 2HG2 THR 41 19.992 -0.389 -4.947 321 3HG2 THR 41 3HG2 THR 41 18.426 -0.146 -4.176 322 H LEU 42 H LEU 42 18.580 0.402 -1.097 323 HA LEU 42 HA LEU 42 16.622 -1.230 0.364 324 1HB LEU 42 2HB LEU 42 17.350 0.339 1.912 325 2HB LEU 42 3HB LEU 42 17.583 1.587 0.698 326 HG LEU 42 HG LEU 42 14.972 1.532 0.544 327 1HD1 LEU 42 1HD1 LEU 42 15.323 -0.474 2.394 328 2HD1 LEU 42 2HD1 LEU 42 14.882 0.920 3.382 329 3HD1 LEU 42 3HD1 LEU 42 13.821 0.396 2.074 330 1HD2 LEU 42 1HD2 LEU 42 16.377 3.402 1.385 331 2HD2 LEU 42 2HD2 LEU 42 14.830 3.249 2.220 332 3HD2 LEU 42 3HD2 LEU 42 16.310 2.677 2.993 333 H ILE 43 H ILE 43 14.657 -1.412 -0.413 334 HA ILE 43 HA ILE 43 13.843 0.383 -2.603 335 HB ILE 43 HB ILE 43 13.348 -2.522 -2.142 336 1HG1 ILE 43 2HG1 ILE 43 13.242 -1.945 -4.838 337 2HG1 ILE 43 3HG1 ILE 43 14.349 -0.721 -4.214 338 1HG2 ILE 43 1HG2 ILE 43 11.365 -0.708 -3.513 339 2HG2 ILE 43 2HG2 ILE 43 11.376 -2.465 -3.648 340 3HG2 ILE 43 3HG2 ILE 43 11.078 -1.704 -2.087 341 1HD1 ILE 43 1HD1 ILE 43 15.211 -3.034 -3.001 342 2HD1 ILE 43 2HD1 ILE 43 14.741 -3.567 -4.616 343 3HD1 ILE 43 3HD1 ILE 43 15.924 -2.273 -4.422 344 H ASP 44 H ASP 44 12.466 1.853 -2.005 345 HA ASP 44 HA ASP 44 10.898 1.370 0.422 346 1HB ASP 44 2HB ASP 44 12.126 3.299 0.806 347 2HB ASP 44 3HB ASP 44 12.026 3.820 -0.870 348 H VAL 45 H VAL 45 8.753 1.522 0.480 349 HA VAL 45 HA VAL 45 7.363 2.207 -2.017 350 HB VAL 45 HB VAL 45 5.578 0.623 -0.595 351 1HG1 VAL 45 1HG1 VAL 45 7.364 -0.032 -2.927 352 2HG1 VAL 45 2HG1 VAL 45 5.976 -1.001 -2.436 353 3HG1 VAL 45 3HG1 VAL 45 5.744 0.661 -2.982 354 1HG2 VAL 45 1HG2 VAL 45 8.311 -0.224 -0.005 355 2HG2 VAL 45 2HG2 VAL 45 6.792 -0.673 0.771 356 3HG2 VAL 45 3HG2 VAL 45 7.309 -1.499 -0.699 357 H ARG 46 H ARG 46 6.851 4.227 -1.537 358 HA ARG 46 HA ARG 46 5.021 4.693 0.686 359 1HB ARG 46 2HB ARG 46 7.393 5.239 1.385 360 2HB ARG 46 3HB ARG 46 7.398 6.485 0.145 361 1HG ARG 46 2HG ARG 46 6.883 7.656 2.068 362 2HG ARG 46 3HG ARG 46 5.299 7.377 1.344 363 1HD ARG 46 2HD ARG 46 5.707 5.142 2.919 364 2HD ARG 46 3HD ARG 46 6.378 6.459 3.880 365 HE ARG 46 HE ARG 46 4.260 7.440 4.023 366 1HH1 ARG 46 1HH1 ARG 46 4.193 4.499 2.093 367 2HH1 ARG 46 2HH1 ARG 46 2.453 4.403 2.095 368 1HH2 ARG 46 1HH2 ARG 46 1.981 7.254 4.058 369 2HH2 ARG 46 2HH2 ARG 46 1.220 5.937 3.195 370 H ASP 47 H ASP 47 3.610 6.418 0.331 371 HA ASP 47 HA ASP 47 2.871 6.829 -2.330 372 1HB ASP 47 2HB ASP 47 2.039 8.703 0.317 373 2HB ASP 47 3HB ASP 47 1.297 9.080 -1.252 374 HA PRO 48 HA PRO 48 5.644 9.942 -3.725 375 1HB PRO 48 2HB PRO 48 4.017 11.059 -5.655 376 2HB PRO 48 3HB PRO 48 4.984 9.597 -5.872 377 1HG PRO 48 2HG PRO 48 2.080 9.870 -5.221 378 2HG PRO 48 3HG PRO 48 2.883 8.723 -6.309 379 1HD PRO 48 2HD PRO 48 2.067 7.997 -3.862 380 2HD PRO 48 3HD PRO 48 3.567 7.358 -4.566 381 H ASP 49 H ASP 49 2.327 10.845 -2.856 382 HA ASP 49 HA ASP 49 2.964 13.652 -2.722 383 1HB ASP 49 2HB ASP 49 0.606 12.230 -2.918 384 2HB ASP 49 3HB ASP 49 0.591 12.780 -1.246 385 H GLU 50 H GLU 50 2.706 10.941 -0.498 386 HA GLU 50 HA GLU 50 3.065 12.461 1.891 387 1HB GLU 50 2HB GLU 50 2.663 9.732 1.190 388 2HB GLU 50 3HB GLU 50 4.107 9.823 2.189 389 1HG GLU 50 2HG GLU 50 2.496 11.394 3.624 390 2HG GLU 50 3HG GLU 50 1.288 10.354 2.870 391 H LEU 51 H LEU 51 5.184 10.965 -0.464 392 HA LEU 51 HA LEU 51 7.652 11.137 0.868 393 1HB LEU 51 2HB LEU 51 6.740 10.428 -1.677 394 2HB LEU 51 3HB LEU 51 7.819 11.777 -1.961 395 HG LEU 51 HG LEU 51 9.559 10.522 -0.617 396 1HD1 LEU 51 1HD1 LEU 51 7.437 8.875 0.005 397 2HD1 LEU 51 2HD1 LEU 51 8.343 7.950 -1.195 398 3HD1 LEU 51 3HD1 LEU 51 9.147 8.521 0.269 399 1HD2 LEU 51 1HD2 LEU 51 8.529 9.868 -3.302 400 2HD2 LEU 51 2HD2 LEU 51 10.127 10.416 -2.798 401 3HD2 LEU 51 3HD2 LEU 51 9.676 8.722 -2.605 402 H LYS 52 H LYS 52 5.733 13.459 -0.848 403 HA LYS 52 HA LYS 52 7.713 15.540 -0.874 404 1HB LYS 52 2HB LYS 52 4.817 15.346 -1.588 405 2HB LYS 52 3HB LYS 52 5.519 16.939 -1.341 406 1HG LYS 52 2HG LYS 52 6.598 16.889 -3.295 407 2HG LYS 52 3HG LYS 52 7.117 15.218 -3.071 408 1HD LYS 52 2HD LYS 52 5.685 15.299 -4.987 409 2HD LYS 52 3HD LYS 52 4.811 14.492 -3.684 410 1HE LYS 52 2HE LYS 52 3.851 16.822 -3.170 411 2HE LYS 52 3HE LYS 52 4.431 17.261 -4.775 412 1HZ LYS 52 HZ1 LYS 52 3.134 15.075 -5.404 413 2HZ LYS 52 HZ2 LYS 52 2.255 15.464 -4.001 414 3HZ LYS 52 HZ3 LYS 52 2.345 16.568 -5.286 415 H ALA 53 H ALA 53 4.945 14.691 1.134 416 HA ALA 53 HA ALA 53 5.068 17.104 2.661 417 1HB ALA 53 1HB ALA 53 3.075 15.451 2.105 418 2HB ALA 53 2HB ALA 53 3.538 14.779 3.670 419 3HB ALA 53 3HB ALA 53 3.078 16.477 3.541 420 H MET 54 H MET 54 5.817 13.688 3.440 421 HA MET 54 HA MET 54 6.790 14.569 6.049 422 1HB MET 54 2HB MET 54 5.983 11.962 4.846 423 2HB MET 54 3HB MET 54 7.093 11.940 6.209 424 1HG MET 54 2HG MET 54 5.128 13.663 7.045 425 2HG MET 54 3HG MET 54 4.233 12.450 6.133 426 1HE MET 54 1HE MET 54 4.907 10.074 6.216 427 2HE MET 54 2HE MET 54 5.477 9.192 7.633 428 3HE MET 54 3HE MET 54 3.797 9.718 7.538 429 H GLY 55 H GLY 55 7.987 13.046 3.114 430 1HA GLY 55 1HA GLY 55 10.324 13.763 2.578 431 2HA GLY 55 2HA GLY 55 10.716 13.243 4.210 432 H LYS 56 H LYS 56 12.193 12.187 2.298 433 HA LYS 56 HA LYS 56 11.276 9.398 2.164 434 1HB LYS 56 2HB LYS 56 12.700 9.536 -0.126 435 2HB LYS 56 3HB LYS 56 10.957 9.757 -0.062 436 1HG LYS 56 2HG LYS 56 11.086 11.999 -0.441 437 2HG LYS 56 3HG LYS 56 12.674 12.147 0.315 438 1HD LYS 56 2HD LYS 56 13.666 10.979 -1.626 439 2HD LYS 56 3HD LYS 56 12.074 10.951 -2.389 440 1HE LYS 56 2HE LYS 56 12.148 13.526 -1.961 441 2HE LYS 56 3HE LYS 56 13.887 13.262 -1.856 442 1HZ LYS 56 HZ1 LYS 56 13.410 11.967 -4.088 443 2HZ LYS 56 HZ2 LYS 56 12.110 13.053 -4.165 444 3HZ LYS 56 HZ3 LYS 56 13.702 13.638 -4.068 445 HA PRO 57 HA PRO 57 15.196 8.468 3.892 446 1HB PRO 57 2HB PRO 57 15.912 6.201 2.464 447 2HB PRO 57 3HB PRO 57 14.893 6.231 3.903 448 1HG PRO 57 2HG PRO 57 14.127 6.034 1.034 449 2HG PRO 57 3HG PRO 57 13.352 5.317 2.455 450 1HD PRO 57 2HD PRO 57 12.346 7.478 1.164 451 2HD PRO 57 3HD PRO 57 12.137 7.219 2.908 452 H ASP 58 H ASP 58 17.047 9.447 3.584 453 HA ASP 58 HA ASP 58 18.067 9.929 0.896 454 1HB ASP 58 2HB ASP 58 18.042 11.772 2.555 455 2HB ASP 58 3HB ASP 58 19.115 10.839 3.589 456 H VAL 59 H VAL 59 18.656 7.850 0.323 457 HA VAL 59 HA VAL 59 21.015 6.793 1.732 458 HB VAL 59 HB VAL 59 20.211 4.545 0.620 459 1HG1 VAL 59 1HG1 VAL 59 19.908 5.713 3.186 460 2HG1 VAL 59 2HG1 VAL 59 18.467 4.754 2.840 461 3HG1 VAL 59 3HG1 VAL 59 20.064 4.009 2.761 462 1HG2 VAL 59 1HG2 VAL 59 17.911 6.287 0.282 463 2HG2 VAL 59 2HG2 VAL 59 18.256 4.712 -0.438 464 3HG2 VAL 59 3HG2 VAL 59 17.524 4.809 1.165 465 H LYS 60 H LYS 60 22.701 6.064 0.445 466 HA LYS 60 HA LYS 60 23.187 7.423 -1.901 467 1HB LYS 60 2HB LYS 60 24.907 5.470 -2.270 468 2HB LYS 60 3HB LYS 60 25.115 6.609 -0.948 469 1HG LYS 60 2HG LYS 60 24.671 5.058 0.642 470 2HG LYS 60 3HG LYS 60 23.550 4.163 -0.387 471 1HD LYS 60 2HD LYS 60 25.184 2.676 -0.673 472 2HD LYS 60 3HD LYS 60 25.995 3.895 -1.659 473 1HE LYS 60 2HE LYS 60 26.330 3.536 1.316 474 2HE LYS 60 3HE LYS 60 27.463 2.980 0.086 475 1HZ LYS 60 HZ1 LYS 60 27.573 5.395 -0.630 476 2HZ LYS 60 HZ2 LYS 60 26.805 5.765 0.835 477 3HZ LYS 60 HZ3 LYS 60 28.317 5.002 0.846 478 H ASN 61 H ASN 61 21.967 4.165 -1.478 479 HA ASN 61 HA ASN 61 21.353 4.043 -4.354 480 1HB ASN 61 2HB ASN 61 21.242 1.507 -3.893 481 2HB ASN 61 3HB ASN 61 22.828 2.262 -3.964 482 1HD2 ASN 61 1HD2 ASN 61 23.531 0.381 -2.802 483 2HD2 ASN 61 2HD2 ASN 61 23.331 0.297 -1.084 484 H TYR 62 H TYR 62 19.468 5.342 -3.715 485 HA TYR 62 HA TYR 62 17.374 3.874 -2.294 486 1HB TYR 62 HB2 TYR 62 17.707 6.159 -1.587 487 2HB TYR 62 HB3 TYR 62 17.616 6.737 -3.245 488 HD1 TYR 62 HD1 TYR 62 15.353 4.258 -1.699 489 HD2 TYR 62 HD2 TYR 62 15.832 8.265 -3.030 490 HE1 TYR 62 HE1 TYR 62 12.945 4.619 -1.441 491 HE2 TYR 62 HE2 TYR 62 13.418 8.648 -2.768 492 HH TYR 62 HH TYR 62 11.323 6.298 -1.246 493 H LYS 63 H LYS 63 15.958 2.643 -3.500 494 HA LYS 63 HA LYS 63 15.334 3.656 -6.175 495 1HB LYS 63 2HB LYS 63 15.312 0.772 -5.251 496 2HB LYS 63 3HB LYS 63 14.903 1.356 -6.855 497 1HG LYS 63 2HG LYS 63 17.313 2.348 -6.751 498 2HG LYS 63 3HG LYS 63 17.555 1.040 -5.594 499 1HD LYS 63 2HD LYS 63 16.123 0.046 -7.856 500 2HD LYS 63 3HD LYS 63 17.550 0.913 -8.421 501 1HE LYS 63 2HE LYS 63 17.951 -0.907 -6.133 502 2HE LYS 63 3HE LYS 63 17.567 -1.672 -7.674 503 1HZ LYS 63 HZ1 LYS 63 19.702 0.365 -7.449 504 2HZ LYS 63 HZ2 LYS 63 20.009 -1.277 -7.143 505 3HZ LYS 63 HZ3 LYS 63 19.465 -0.782 -8.671 506 H HIS 64 H HIS 64 13.395 4.587 -6.071 507 HA HIS 64 HA HIS 64 11.374 3.673 -4.189 508 1HB HIS 64 2HB HIS 64 11.872 6.138 -5.009 509 2HB HIS 64 3HB HIS 64 10.843 5.677 -6.361 510 HD1 HIS 64 HD1 HIS 64 8.898 7.215 -5.737 511 HD2 HIS 64 HD2 HIS 64 9.993 4.605 -2.690 512 HE1 HIS 64 HE1 HIS 64 7.066 7.366 -4.014 513 HE2 HIS 64 HE2 HIS 64 7.912 5.997 -2.077 514 H MET 65 H MET 65 10.117 1.959 -4.708 515 HA MET 65 HA MET 65 9.699 1.441 -7.586 516 1HB MET 65 2HB MET 65 10.709 -0.203 -5.457 517 2HB MET 65 3HB MET 65 9.256 -0.928 -6.135 518 1HG MET 65 2HG MET 65 10.718 -1.830 -7.580 519 2HG MET 65 3HG MET 65 10.536 -0.281 -8.399 520 1HE MET 65 1HE MET 65 11.974 1.232 -8.844 521 2HE MET 65 2HE MET 65 13.598 1.521 -8.222 522 3HE MET 65 3HE MET 65 13.333 0.295 -9.463 523 H SER 66 H SER 66 7.762 2.474 -7.843 524 HA SER 66 HA SER 66 5.602 1.915 -5.990 525 1HB SER 66 2HB SER 66 4.666 3.642 -7.972 526 2HB SER 66 3HB SER 66 5.269 4.094 -6.375 527 HG SER 66 HG SER 66 6.403 5.194 -8.020 528 H ARG 67 H ARG 67 4.471 2.737 -9.058 529 HA ARG 67 HA ARG 67 2.978 1.764 -10.453 530 1HB ARG 67 2HB ARG 67 5.123 0.265 -10.835 531 2HB ARG 67 3HB ARG 67 4.134 -0.959 -10.052 532 1HG ARG 67 2HG ARG 67 3.958 -1.068 -12.486 533 2HG ARG 67 3HG ARG 67 2.410 -0.687 -11.735 534 1HD ARG 67 2HD ARG 67 4.010 1.662 -12.451 535 2HD ARG 67 3HD ARG 67 3.529 0.670 -13.826 536 HE ARG 67 HE ARG 67 1.523 1.616 -11.876 537 1HH1 ARG 67 1HH1 ARG 67 2.711 1.375 -15.172 538 2HH1 ARG 67 2HH1 ARG 67 1.314 2.152 -15.862 539 1HH2 ARG 67 1HH2 ARG 67 -0.315 2.618 -12.785 540 2HH2 ARG 67 2HH2 ARG 67 -0.391 2.892 -14.505 541 H GLY 68 H GLY 68 2.345 -1.358 -9.812 542 1HA GLY 68 1HA GLY 68 0.309 -0.640 -7.852 543 2HA GLY 68 2HA GLY 68 0.388 -2.129 -8.792 544 H LYS 69 H LYS 69 3.047 -2.824 -8.302 545 HA LYS 69 HA LYS 69 3.551 -2.789 -5.488 546 1HB LYS 69 2HB LYS 69 1.842 -4.762 -6.171 547 2HB LYS 69 3HB LYS 69 3.375 -5.582 -6.434 548 1HG LYS 69 2HG LYS 69 2.643 -6.034 -4.202 549 2HG LYS 69 3HG LYS 69 4.047 -4.967 -4.123 550 1HD LYS 69 2HD LYS 69 1.453 -3.590 -4.232 551 2HD LYS 69 3HD LYS 69 1.709 -4.563 -2.785 552 1HE LYS 69 2HE LYS 69 2.910 -2.893 -1.943 553 2HE LYS 69 3HE LYS 69 4.107 -3.174 -3.206 554 1HZ LYS 69 HZ1 LYS 69 2.030 -1.695 -4.337 555 2HZ LYS 69 HZ2 LYS 69 2.416 -0.955 -2.866 556 3HZ LYS 69 HZ3 LYS 69 3.619 -1.190 -4.032 557 H LEU 70 H LEU 70 4.970 -1.821 -7.541 558 HA LEU 70 HA LEU 70 7.099 -1.572 -8.201 559 1HB LEU 70 2HB LEU 70 8.612 -2.016 -6.628 560 2HB LEU 70 3HB LEU 70 7.238 -2.594 -5.711 561 HG LEU 70 HG LEU 70 8.113 -4.813 -7.189 562 1HD1 LEU 70 1HD1 LEU 70 10.207 -3.300 -7.443 563 2HD1 LEU 70 2HD1 LEU 70 10.485 -3.705 -5.749 564 3HD1 LEU 70 3HD1 LEU 70 10.406 -4.985 -6.959 565 1HD2 LEU 70 1HD2 LEU 70 7.545 -4.076 -4.543 566 2HD2 LEU 70 2HD2 LEU 70 7.794 -5.702 -5.180 567 3HD2 LEU 70 3HD2 LEU 70 9.155 -4.796 -4.519 568 H GLU 71 H GLU 71 5.592 -4.531 -8.747 569 HA GLU 71 HA GLU 71 7.417 -6.228 -9.758 570 1HB GLU 71 2HB GLU 71 5.161 -6.138 -11.581 571 2HB GLU 71 3HB GLU 71 5.659 -7.401 -10.465 572 1HG GLU 71 2HG GLU 71 3.767 -6.941 -9.381 573 2HG GLU 71 3HG GLU 71 4.615 -5.518 -8.776 574 HA PRO 72 HA PRO 72 7.584 -4.416 -14.184 575 1HB PRO 72 2HB PRO 72 6.434 -1.728 -14.132 576 2HB PRO 72 3HB PRO 72 6.050 -3.087 -15.189 577 1HG PRO 72 2HG PRO 72 4.343 -2.203 -13.295 578 2HG PRO 72 3HG PRO 72 4.442 -3.910 -13.768 579 1HD PRO 72 2HD PRO 72 5.626 -2.533 -11.383 580 2HD PRO 72 3HD PRO 72 4.808 -4.107 -11.482 581 H LEU 73 H LEU 73 8.091 -2.398 -11.424 582 HA LEU 73 HA LEU 73 10.148 -0.818 -12.756 583 1HB LEU 73 2HB LEU 73 8.519 -0.566 -10.373 584 2HB LEU 73 3HB LEU 73 10.209 -0.301 -10.002 585 HG LEU 73 HG LEU 73 8.981 1.784 -10.499 586 1HD1 LEU 73 1HD1 LEU 73 11.483 1.258 -11.066 587 2HD1 LEU 73 2HD1 LEU 73 10.924 1.439 -12.727 588 3HD1 LEU 73 3HD1 LEU 73 10.736 2.770 -11.585 589 1HD2 LEU 73 1HD2 LEU 73 8.145 0.252 -12.806 590 2HD2 LEU 73 2HD2 LEU 73 7.481 1.745 -12.142 591 3HD2 LEU 73 3HD2 LEU 73 8.835 1.807 -13.269 592 H LEU 74 H LEU 74 9.826 -3.680 -10.995 593 HA LEU 74 HA LEU 74 12.329 -3.798 -9.674 594 1HB LEU 74 2HB LEU 74 10.367 -5.196 -9.133 595 2HB LEU 74 3HB LEU 74 10.531 -6.013 -10.673 596 HG LEU 74 HG LEU 74 12.784 -6.823 -9.908 597 1HD1 LEU 74 1HD1 LEU 74 12.458 -4.954 -7.916 598 2HD1 LEU 74 2HD1 LEU 74 12.124 -6.480 -7.101 599 3HD1 LEU 74 3HD1 LEU 74 13.658 -6.246 -7.940 600 1HD2 LEU 74 1HD2 LEU 74 10.204 -7.568 -8.599 601 2HD2 LEU 74 2HD2 LEU 74 11.121 -8.431 -9.832 602 3HD2 LEU 74 3HD2 LEU 74 11.694 -8.404 -8.163 603 H ALA 75 H ALA 75 11.185 -4.664 -12.849 604 HA ALA 75 HA ALA 75 13.666 -5.862 -13.711 605 1HB ALA 75 1HB ALA 75 11.177 -5.033 -15.189 606 2HB ALA 75 2HB ALA 75 12.583 -5.751 -15.976 607 3HB ALA 75 3HB ALA 75 11.688 -6.667 -14.762 608 H LYS 76 H LYS 76 12.129 -2.746 -13.758 609 HA LYS 76 HA LYS 76 13.715 -1.520 -15.742 610 1HB LYS 76 2HB LYS 76 12.055 -0.386 -13.497 611 2HB LYS 76 3HB LYS 76 12.873 0.621 -14.682 612 1HG LYS 76 2HG LYS 76 11.564 -0.941 -16.370 613 2HG LYS 76 3HG LYS 76 10.495 -1.120 -14.972 614 1HD LYS 76 2HD LYS 76 9.699 0.963 -15.177 615 2HD LYS 76 3HD LYS 76 11.303 1.641 -15.474 616 1HE LYS 76 2HE LYS 76 10.219 0.010 -17.662 617 2HE LYS 76 3HE LYS 76 9.322 1.491 -17.327 618 1HZ LYS 76 HZ1 LYS 76 11.648 2.569 -17.360 619 2HZ LYS 76 HZ2 LYS 76 12.120 1.173 -18.195 620 3HZ LYS 76 HZ3 LYS 76 10.905 2.173 -18.832 621 H SER 77 H SER 77 14.258 -2.103 -12.358 622 HA SER 77 HA SER 77 16.274 -0.057 -12.126 623 1HB SER 77 2HB SER 77 16.581 -1.639 -9.919 624 2HB SER 77 3HB SER 77 15.438 -0.299 -10.033 625 HG SER 77 HG SER 77 13.804 -1.684 -10.347 626 H GLY 78 H GLY 78 16.168 -3.595 -12.279 627 1HA GLY 78 1HA GLY 78 17.851 -4.890 -13.381 628 2HA GLY 78 2HA GLY 78 18.991 -3.582 -13.103 629 H LEU 79 H LEU 79 16.824 -5.569 -11.102 630 HA LEU 79 HA LEU 79 18.882 -5.699 -9.037 631 1HB LEU 79 2HB LEU 79 15.964 -6.145 -9.174 632 2HB LEU 79 3HB LEU 79 16.839 -7.185 -8.066 633 HG LEU 79 HG LEU 79 16.654 -4.177 -8.003 634 1HD1 LEU 79 1HD1 LEU 79 14.794 -5.500 -7.039 635 2HD1 LEU 79 2HD1 LEU 79 15.949 -6.265 -5.948 636 3HD1 LEU 79 3HD1 LEU 79 15.654 -4.529 -5.844 637 1HD2 LEU 79 1HD2 LEU 79 18.968 -4.859 -7.538 638 2HD2 LEU 79 2HD2 LEU 79 18.168 -4.219 -6.102 639 3HD2 LEU 79 3HD2 LEU 79 18.386 -5.959 -6.289 640 H ASP 80 H ASP 80 19.828 -7.630 -8.318 641 HA ASP 80 HA ASP 80 19.322 -10.011 -9.972 642 1HB ASP 80 2HB ASP 80 21.593 -8.704 -10.226 643 2HB ASP 80 3HB ASP 80 21.995 -9.498 -8.707 644 HA PRO 81 HA PRO 81 18.157 -11.837 -6.183 645 1HB PRO 81 2HB PRO 81 18.657 -14.478 -6.746 646 2HB PRO 81 3HB PRO 81 17.247 -13.576 -7.318 647 1HG PRO 81 2HG PRO 81 19.798 -14.212 -8.743 648 2HG PRO 81 3HG PRO 81 18.133 -14.238 -9.354 649 1HD PRO 81 2HD PRO 81 19.808 -12.210 -9.894 650 2HD PRO 81 3HD PRO 81 18.069 -11.946 -9.641 651 H GLU 82 H GLU 82 21.367 -11.551 -6.904 652 HA GLU 82 HA GLU 82 22.180 -13.154 -4.582 653 1HB GLU 82 2HB GLU 82 24.507 -12.735 -5.368 654 2HB GLU 82 3HB GLU 82 23.528 -13.633 -6.520 655 1HG GLU 82 2HG GLU 82 23.974 -12.143 -8.081 656 2HG GLU 82 3HG GLU 82 23.251 -10.875 -7.096 657 H LYS 83 H LYS 83 21.364 -10.043 -5.529 658 HA LYS 83 HA LYS 83 23.127 -8.678 -3.685 659 1HB LYS 83 2HB LYS 83 21.176 -7.889 -5.777 660 2HB LYS 83 3HB LYS 83 21.443 -6.750 -4.463 661 1HG LYS 83 2HG LYS 83 23.267 -6.036 -5.479 662 2HG LYS 83 3HG LYS 83 23.975 -7.643 -5.301 663 1HD LYS 83 2HD LYS 83 22.930 -8.327 -7.412 664 2HD LYS 83 3HD LYS 83 22.250 -6.709 -7.592 665 1HE LYS 83 2HE LYS 83 24.345 -7.119 -8.902 666 2HE LYS 83 3HE LYS 83 24.409 -5.734 -7.814 667 1HZ LYS 83 HZ1 LYS 83 25.608 -7.099 -6.207 668 2HZ LYS 83 HZ2 LYS 83 25.557 -8.427 -7.270 669 3HZ LYS 83 HZ3 LYS 83 26.429 -7.035 -7.689 670 HA PRO 84 HA PRO 84 20.139 -9.118 -0.350 671 1HB PRO 84 2HB PRO 84 21.974 -7.365 1.117 672 2HB PRO 84 3HB PRO 84 21.516 -9.034 1.463 673 1HG PRO 84 2HG PRO 84 23.984 -8.365 0.602 674 2HG PRO 84 3HG PRO 84 23.213 -9.904 0.176 675 1HD PRO 84 2HD PRO 84 23.476 -7.400 -1.453 676 2HD PRO 84 3HD PRO 84 23.681 -9.096 -1.950 677 H VAL 85 H VAL 85 18.414 -7.846 0.056 678 HA VAL 85 HA VAL 85 18.719 -4.939 -0.238 679 HB VAL 85 HB VAL 85 16.424 -4.947 -1.350 680 1HG1 VAL 85 1HG1 VAL 85 18.829 -4.718 -2.405 681 2HG1 VAL 85 2HG1 VAL 85 18.380 -6.239 -3.179 682 3HG1 VAL 85 3HG1 VAL 85 17.387 -4.802 -3.418 683 1HG2 VAL 85 1HG2 VAL 85 16.268 -7.517 -0.782 684 2HG2 VAL 85 2HG2 VAL 85 15.509 -6.847 -2.227 685 3HG2 VAL 85 3HG2 VAL 85 17.063 -7.671 -2.348 686 H VAL 86 H VAL 86 17.074 -3.685 0.770 687 HA VAL 86 HA VAL 86 15.478 -5.137 2.765 688 HB VAL 86 HB VAL 86 17.213 -4.136 4.051 689 1HG1 VAL 86 1HG1 VAL 86 17.893 -2.572 2.157 690 2HG1 VAL 86 2HG1 VAL 86 16.717 -1.442 2.831 691 3HG1 VAL 86 3HG1 VAL 86 18.083 -1.979 3.811 692 1HG2 VAL 86 1HG2 VAL 86 14.755 -2.398 4.117 693 2HG2 VAL 86 2HG2 VAL 86 15.100 -3.817 5.105 694 3HG2 VAL 86 3HG2 VAL 86 16.032 -2.339 5.330 695 H VAL 87 H VAL 87 13.401 -4.388 3.042 696 HA VAL 87 HA VAL 87 12.531 -2.341 1.107 697 HB VAL 87 HB VAL 87 10.222 -3.373 1.514 698 1HG1 VAL 87 1HG1 VAL 87 12.479 -4.581 0.006 699 2HG1 VAL 87 2HG1 VAL 87 10.957 -5.471 0.080 700 3HG1 VAL 87 3HG1 VAL 87 10.992 -3.837 -0.584 701 1HG2 VAL 87 1HG2 VAL 87 11.967 -5.478 2.773 702 2HG2 VAL 87 2HG2 VAL 87 10.574 -4.656 3.476 703 3HG2 VAL 87 3HG2 VAL 87 10.346 -5.812 2.165 704 H PHE 88 H PHE 88 11.240 -0.628 1.819 705 HA PHE 88 HA PHE 88 11.080 -0.375 4.754 706 1HB PHE 88 2HB PHE 88 12.846 1.015 3.502 707 2HB PHE 88 3HB PHE 88 11.492 1.960 2.892 708 HD1 PHE 88 HD1 PHE 88 12.193 0.498 6.256 709 HD2 PHE 88 HD2 PHE 88 11.525 4.016 3.950 710 HE1 PHE 88 HE1 PHE 88 12.152 1.837 8.312 711 HE2 PHE 88 HE2 PHE 88 11.483 5.355 6.006 712 HZ PHE 88 HZ PHE 88 11.796 4.267 8.190 713 H CYS 89 H CYS 89 9.300 0.438 5.678 714 HA CYS 89 HA CYS 89 7.271 1.392 5.984 715 1HB CYS 89 2HB CYS 89 7.829 2.818 3.901 716 2HB CYS 89 3HB CYS 89 6.780 1.695 3.039 717 H LYS 90 H LYS 90 6.520 -0.499 6.798 718 HA LYS 90 HA LYS 90 5.184 -2.334 4.944 719 1HB LYS 90 2HB LYS 90 4.988 -3.746 7.113 720 2HB LYS 90 3HB LYS 90 6.541 -3.634 6.300 721 1HG LYS 90 2HG LYS 90 7.432 -2.995 8.217 722 2HG LYS 90 3HG LYS 90 6.490 -1.507 8.115 723 1HD LYS 90 2HD LYS 90 5.507 -2.153 10.011 724 2HD LYS 90 3HD LYS 90 4.676 -3.373 9.047 725 1HE LYS 90 2HE LYS 90 5.613 -4.648 10.725 726 2HE LYS 90 3HE LYS 90 6.824 -4.780 9.452 727 1HZ LYS 90 HZ1 LYS 90 6.941 -2.867 11.725 728 2HZ LYS 90 HZ2 LYS 90 7.794 -4.329 11.650 729 3HZ LYS 90 HZ3 LYS 90 8.132 -3.092 10.536 730 H THR 91 H THR 91 4.571 -0.014 7.440 731 HA THR 91 HA THR 91 1.927 -0.989 8.013 732 HB THR 91 HB THR 91 2.303 1.593 9.108 733 HG1 THR 91 HG1 THR 91 4.345 1.572 9.832 734 1HG2 THR 91 1HG2 THR 91 1.712 -1.066 9.930 735 2HG2 THR 91 2HG2 THR 91 2.976 -0.434 10.985 736 3HG2 THR 91 3HG2 THR 91 1.452 0.438 10.813 737 H ALA 92 H ALA 92 2.246 -0.190 5.285 738 HA ALA 92 HA ALA 92 -0.106 1.363 5.000 739 1HB ALA 92 1HB ALA 92 1.692 3.122 5.475 740 2HB ALA 92 2HB ALA 92 2.318 2.738 3.871 741 3HB ALA 92 3HB ALA 92 0.679 3.364 4.051 742 H ALA 93 H ALA 93 2.755 1.297 2.911 743 HA ALA 93 HA ALA 93 1.263 0.267 0.693 744 1HB ALA 93 1HB ALA 93 4.219 0.727 1.064 745 2HB ALA 93 2HB ALA 93 3.463 0.245 -0.456 746 3HB ALA 93 3HB ALA 93 3.065 1.803 0.273 747 H ARG 94 H ARG 94 3.204 -1.044 3.213 748 HA ARG 94 HA ARG 94 3.512 -3.155 3.968 749 1HB ARG 94 2HB ARG 94 1.193 -3.522 2.865 750 2HB ARG 94 3HB ARG 94 2.097 -4.319 1.589 751 1HG ARG 94 2HG ARG 94 1.080 -5.631 3.655 752 2HG ARG 94 3HG ARG 94 2.575 -6.126 2.864 753 1HD ARG 94 2HD ARG 94 3.383 -6.119 4.964 754 2HD ARG 94 3HD ARG 94 3.546 -4.387 4.684 755 HE ARG 94 HE ARG 94 1.611 -4.014 5.988 756 1HH1 ARG 94 1HH1 ARG 94 2.577 -7.380 5.903 757 2HH1 ARG 94 2HH1 ARG 94 1.686 -7.813 7.324 758 1HH2 ARG 94 1HH2 ARG 94 0.430 -4.579 7.875 759 2HH2 ARG 94 2HH2 ARG 94 0.456 -6.211 8.450 760 H ALA 95 H ALA 95 5.692 -2.623 3.453 761 HA ALA 95 HA ALA 95 7.038 -3.281 1.092 762 1HB ALA 95 1HB ALA 95 7.985 -1.898 2.901 763 2HB ALA 95 2HB ALA 95 8.113 -3.334 3.917 764 3HB ALA 95 3HB ALA 95 9.062 -3.213 2.434 765 H ALA 96 H ALA 96 5.713 -5.292 3.524 766 HA ALA 96 HA ALA 96 7.329 -7.573 3.357 767 1HB ALA 96 1HB ALA 96 5.063 -6.885 4.745 768 2HB ALA 96 2HB ALA 96 4.491 -8.159 3.667 769 3HB ALA 96 3HB ALA 96 5.842 -8.467 4.760 770 H LEU 97 H LEU 97 4.734 -6.406 1.284 771 HA LEU 97 HA LEU 97 4.525 -8.797 -0.274 772 1HB LEU 97 2HB LEU 97 3.439 -6.061 -0.410 773 2HB LEU 97 3HB LEU 97 3.687 -6.828 -1.972 774 HG LEU 97 HG LEU 97 1.392 -7.115 -1.099 775 1HD1 LEU 97 1HD1 LEU 97 3.078 -9.581 -1.449 776 2HD1 LEU 97 2HD1 LEU 97 1.313 -9.602 -1.397 777 3HD1 LEU 97 3HD1 LEU 97 2.150 -8.717 -2.677 778 1HD2 LEU 97 1HD2 LEU 97 2.847 -8.507 1.126 779 2HD2 LEU 97 2HD2 LEU 97 1.627 -7.238 1.227 780 3HD2 LEU 97 3HD2 LEU 97 1.164 -8.868 0.742 781 H ALA 98 H ALA 98 6.487 -5.922 -0.355 782 HA ALA 98 HA ALA 98 7.511 -6.290 -2.977 783 1HB ALA 98 1HB ALA 98 7.477 -4.239 -1.170 784 2HB ALA 98 2HB ALA 98 9.168 -4.739 -1.142 785 3HB ALA 98 3HB ALA 98 8.413 -4.269 -2.664 786 H GLY 99 H GLY 99 8.629 -7.137 0.252 787 1HA GLY 99 1HA GLY 99 11.184 -8.030 -0.801 788 2HA GLY 99 2HA GLY 99 10.727 -7.941 0.891 789 H LYS 100 H LYS 100 8.450 -9.522 0.911 790 HA LYS 100 HA LYS 100 9.636 -12.017 1.227 791 1HB LYS 100 2HB LYS 100 7.733 -12.572 2.275 792 2HB LYS 100 3HB LYS 100 7.265 -10.900 2.014 793 1HG LYS 100 2HG LYS 100 5.563 -11.522 0.739 794 2HG LYS 100 3HG LYS 100 6.623 -12.479 -0.297 795 1HD LYS 100 2HD LYS 100 6.214 -13.790 2.236 796 2HD LYS 100 3HD LYS 100 4.669 -13.421 1.467 797 1HE LYS 100 2HE LYS 100 4.944 -15.140 0.087 798 2HE LYS 100 3HE LYS 100 6.423 -14.405 -0.532 799 1HZ LYS 100 HZ1 LYS 100 7.488 -15.431 1.559 800 2HZ LYS 100 HZ2 LYS 100 6.114 -16.417 1.597 801 3HZ LYS 100 HZ3 LYS 100 7.132 -16.445 0.242 802 H THR 101 H THR 101 8.198 -10.602 -1.562 803 HA THR 101 HA THR 101 7.763 -12.980 -3.067 804 HB THR 101 HB THR 101 8.137 -11.050 -4.891 805 HG1 THR 101 HG1 THR 101 7.002 -9.307 -3.220 806 1HG2 THR 101 1HG2 THR 101 5.786 -11.744 -3.194 807 2HG2 THR 101 2HG2 THR 101 5.659 -10.388 -4.315 808 3HG2 THR 101 3HG2 THR 101 6.032 -12.001 -4.922 809 H LEU 102 H LEU 102 10.224 -10.447 -3.008 810 HA LEU 102 HA LEU 102 11.802 -11.286 -5.065 811 1HB LEU 102 2HB LEU 102 12.391 -9.737 -2.579 812 2HB LEU 102 3HB LEU 102 13.694 -10.144 -3.680 813 HG LEU 102 HG LEU 102 11.269 -8.455 -4.275 814 1HD1 LEU 102 1HD1 LEU 102 13.057 -7.319 -3.070 815 2HD1 LEU 102 2HD1 LEU 102 14.224 -7.847 -4.284 816 3HD1 LEU 102 3HD1 LEU 102 12.937 -6.724 -4.726 817 1HD2 LEU 102 1HD2 LEU 102 13.391 -9.523 -6.132 818 2HD2 LEU 102 2HD2 LEU 102 11.649 -9.797 -6.220 819 3HD2 LEU 102 3HD2 LEU 102 12.306 -8.189 -6.532 820 H ARG 103 H ARG 103 11.970 -12.335 -1.688 821 HA ARG 103 HA ARG 103 14.367 -13.817 -1.974 822 1HB ARG 103 2HB ARG 103 13.797 -14.863 0.155 823 2HB ARG 103 3HB ARG 103 13.542 -13.126 0.221 824 1HG ARG 103 2HG ARG 103 11.280 -13.324 0.413 825 2HG ARG 103 3HG ARG 103 11.227 -14.853 -0.466 826 1HD ARG 103 2HD ARG 103 12.444 -14.575 2.271 827 2HD ARG 103 3HD ARG 103 10.745 -14.969 2.015 828 HE ARG 103 HE ARG 103 12.926 -16.646 0.932 829 1HH1 ARG 103 1HH1 ARG 103 9.897 -16.282 2.673 830 2HH1 ARG 103 2HH1 ARG 103 9.689 -17.997 2.896 831 1HH2 ARG 103 1HH2 ARG 103 12.627 -18.892 1.215 832 2HH2 ARG 103 2HH2 ARG 103 11.231 -19.471 2.077 833 H GLU 104 H GLU 104 11.057 -14.519 -2.734 834 HA GLU 104 HA GLU 104 11.435 -17.361 -3.090 835 1HB GLU 104 2HB GLU 104 9.228 -15.736 -4.334 836 2HB GLU 104 3HB GLU 104 9.211 -17.432 -3.873 837 1HG GLU 104 2HG GLU 104 9.652 -16.286 -1.480 838 2HG GLU 104 3HG GLU 104 8.712 -15.023 -2.273 839 H TYR 105 H TYR 105 12.434 -14.667 -4.737 840 HA TYR 105 HA TYR 105 12.427 -16.051 -7.328 841 1HB TYR 105 HB2 TYR 105 13.051 -13.140 -6.789 842 2HB TYR 105 HB3 TYR 105 12.883 -13.903 -8.366 843 HD1 TYR 105 HD1 TYR 105 10.428 -15.596 -7.701 844 HD2 TYR 105 HD2 TYR 105 11.338 -11.503 -6.981 845 HE1 TYR 105 HE1 TYR 105 8.025 -15.072 -7.676 846 HE2 TYR 105 HE2 TYR 105 8.936 -10.977 -6.952 847 HH TYR 105 HH TYR 105 6.872 -11.842 -6.872 848 H GLY 106 H GLY 106 14.282 -15.673 -4.652 849 1HA GLY 106 1HA GLY 106 16.316 -17.065 -4.878 850 2HA GLY 106 2HA GLY 106 16.742 -16.049 -6.242 851 H PHE 107 H PHE 107 15.557 -13.803 -4.350 852 HA PHE 107 HA PHE 107 18.038 -12.737 -3.660 853 1HB PHE 107 2HB PHE 107 15.224 -12.084 -2.863 854 2HB PHE 107 3HB PHE 107 16.570 -11.259 -2.081 855 HD1 PHE 107 HD1 PHE 107 15.240 -12.075 -5.462 856 HD2 PHE 107 HD2 PHE 107 17.455 -9.362 -3.051 857 HE1 PHE 107 HE1 PHE 107 15.384 -10.515 -7.358 858 HE2 PHE 107 HE2 PHE 107 17.602 -7.797 -4.942 859 HZ PHE 107 HZ PHE 107 16.565 -8.372 -7.100 860 H LYS 108 H LYS 108 19.410 -13.519 -2.306 861 HA LYS 108 HA LYS 108 18.839 -15.491 -0.427 862 1HB LYS 108 2HB LYS 108 21.308 -13.758 -0.526 863 2HB LYS 108 3HB LYS 108 21.173 -15.347 0.209 864 1HG LYS 108 2HG LYS 108 20.735 -16.314 -2.006 865 2HG LYS 108 3HG LYS 108 20.938 -14.715 -2.724 866 1HD LYS 108 2HD LYS 108 23.086 -15.924 -1.014 867 2HD LYS 108 3HD LYS 108 22.946 -16.337 -2.724 868 1HE LYS 108 2HE LYS 108 23.419 -14.168 -3.415 869 2HE LYS 108 3HE LYS 108 23.000 -13.474 -1.849 870 1HZ LYS 108 HZ1 LYS 108 24.990 -14.604 -0.931 871 2HZ LYS 108 HZ2 LYS 108 25.415 -15.073 -2.505 872 3HZ LYS 108 HZ3 LYS 108 25.357 -13.426 -2.098 873 H THR 109 H THR 109 19.776 -12.097 0.156 874 HA THR 109 HA THR 109 18.831 -12.448 2.917 875 HB THR 109 HB THR 109 20.912 -10.424 2.150 876 HG1 THR 109 HG1 THR 109 21.327 -13.180 2.786 877 1HG2 THR 109 1HG2 THR 109 19.715 -11.466 4.593 878 2HG2 THR 109 2HG2 THR 109 21.479 -11.514 4.628 879 3HG2 THR 109 3HG2 THR 109 20.643 -9.989 4.333 880 H ILE 110 H ILE 110 16.872 -11.581 2.909 881 HA ILE 110 HA ILE 110 16.581 -8.855 1.845 882 HB ILE 110 HB ILE 110 15.375 -10.752 0.639 883 1HG1 ILE 110 2HG1 ILE 110 13.238 -8.899 1.391 884 2HG1 ILE 110 3HG1 ILE 110 14.760 -8.110 0.983 885 1HG2 ILE 110 1HG2 ILE 110 14.311 -11.171 3.244 886 2HG2 ILE 110 2HG2 ILE 110 12.997 -10.735 2.152 887 3HG2 ILE 110 3HG2 ILE 110 14.044 -12.102 1.771 888 1HD1 ILE 110 1HD1 ILE 110 14.196 -10.171 -0.917 889 2HD1 ILE 110 2HD1 ILE 110 12.812 -9.088 -0.763 890 3HD1 ILE 110 3HD1 ILE 110 14.400 -8.436 -1.168 891 H TYR 111 H TYR 111 15.869 -7.299 3.194 892 HA TYR 111 HA TYR 111 15.073 -8.152 5.898 893 1HB TYR 111 HB2 TYR 111 16.166 -5.435 5.183 894 2HB TYR 111 HB3 TYR 111 16.075 -6.186 6.767 895 HD1 TYR 111 HD1 TYR 111 17.906 -6.130 3.564 896 HD2 TYR 111 HD2 TYR 111 17.811 -7.645 7.544 897 HE1 TYR 111 HE1 TYR 111 20.245 -6.861 3.339 898 HE2 TYR 111 HE2 TYR 111 20.146 -8.378 7.327 899 HH TYR 111 HH TYR 111 21.874 -8.612 5.978 900 H ASN 112 H ASN 112 13.296 -7.257 6.877 901 HA ASN 112 HA ASN 112 11.663 -5.419 5.241 902 1HB ASN 112 2HB ASN 112 10.760 -7.802 5.855 903 2HB ASN 112 3HB ASN 112 10.513 -7.100 7.449 904 1HD2 ASN 112 1HD2 ASN 112 8.520 -8.107 5.678 905 2HD2 ASN 112 2HD2 ASN 112 7.467 -6.783 5.305 906 H SER 113 H SER 113 10.847 -3.623 6.262 907 HA SER 113 HA SER 113 12.499 -2.671 8.351 908 1HB SER 113 2HB SER 113 10.521 -0.781 7.979 909 2HB SER 113 3HB SER 113 12.036 -0.874 7.081 910 HG SER 113 HG SER 113 11.017 -1.901 5.440 911 H GLU 114 H GLU 114 12.163 -2.511 10.452 912 HA GLU 114 HA GLU 114 9.706 -3.421 11.649 913 1HB GLU 114 2HB GLU 114 12.339 -3.145 12.543 914 2HB GLU 114 3HB GLU 114 11.442 -1.922 13.434 915 1HG GLU 114 2HG GLU 114 11.251 -4.878 13.547 916 2HG GLU 114 3HG GLU 114 11.181 -3.686 14.844 917 H GLY 115 H GLY 115 9.112 -1.692 13.626 918 1HA GLY 115 1HA GLY 115 7.766 0.141 13.987 919 2HA GLY 115 2HA GLY 115 9.157 0.991 13.335 920 H GLY 116 H GLY 116 8.977 2.033 11.474 921 1HA GLY 116 1HA GLY 116 7.279 1.385 9.346 922 2HA GLY 116 2HA GLY 116 6.497 2.627 10.322 923 H MET 117 H MET 117 6.744 3.934 8.326 924 HA MET 117 HA MET 117 9.370 4.764 7.521 925 1HB MET 117 2HB MET 117 6.770 5.063 6.512 926 2HB MET 117 3HB MET 117 7.299 6.693 6.908 927 1HG MET 117 2HG MET 117 9.050 4.857 5.328 928 2HG MET 117 3HG MET 117 7.755 5.768 4.554 929 1HE MET 117 1HE MET 117 8.526 7.230 3.132 930 2HE MET 117 2HE MET 117 9.657 8.563 3.358 931 3HE MET 117 3HE MET 117 10.262 6.935 3.054 932 H ASP 118 H ASP 118 7.019 5.753 9.861 933 HA ASP 118 HA ASP 118 7.906 8.335 10.447 934 1HB ASP 118 2HB ASP 118 6.374 8.269 12.108 935 2HB ASP 118 3HB ASP 118 5.893 6.750 11.365 936 H LYS 119 H LYS 119 9.143 5.188 11.412 937 HA LYS 119 HA LYS 119 10.807 6.085 13.491 938 1HB LYS 119 2HB LYS 119 10.298 3.609 12.077 939 2HB LYS 119 3HB LYS 119 12.011 3.811 12.421 940 1HG LYS 119 2HG LYS 119 11.439 2.831 14.363 941 2HG LYS 119 3HG LYS 119 10.996 4.481 14.812 942 1HD LYS 119 2HD LYS 119 8.726 3.672 13.592 943 2HD LYS 119 3HD LYS 119 9.293 2.140 14.260 944 1HE LYS 119 2HE LYS 119 8.038 2.934 16.007 945 2HE LYS 119 3HE LYS 119 9.629 3.567 16.431 946 1HZ LYS 119 HZ1 LYS 119 7.930 5.254 14.756 947 2HZ LYS 119 HZ2 LYS 119 7.477 5.076 16.384 948 3HZ LYS 119 HZ3 LYS 119 9.014 5.680 15.995 949 H TRP 120 H TRP 120 11.250 5.928 10.010 950 HA TRP 120 HA TRP 120 14.060 6.207 9.986 951 1HB TRP 120 HB2 TRP 120 12.467 5.672 8.016 952 2HB TRP 120 HB3 TRP 120 12.263 7.417 7.889 953 HD1 TRP 120 HD1 TRP 120 14.275 8.820 6.949 954 HE1 TRP 120 HE1 TRP 120 16.445 8.202 5.718 955 HE3 TRP 120 HE3 TRP 120 14.277 3.777 7.796 956 HZ2 TRP 120 HZ2 TRP 120 17.940 5.883 5.152 957 HZ3 TRP 120 HZ3 TRP 120 16.112 2.429 6.859 958 HH2 TRP 120 HH2 TRP 120 17.903 3.464 5.562 959 H LEU 121 H LEU 121 11.483 8.697 9.658 960 HA LEU 121 HA LEU 121 13.203 10.909 9.788 961 1HB LEU 121 2HB LEU 121 10.281 10.438 10.217 962 2HB LEU 121 3HB LEU 121 10.963 11.981 10.686 963 HG LEU 121 HG LEU 121 11.204 10.872 7.884 964 1HD1 LEU 121 1HD1 LEU 121 9.001 12.354 9.220 965 2HD1 LEU 121 2HD1 LEU 121 9.407 12.751 7.549 966 3HD1 LEU 121 3HD1 LEU 121 8.940 11.104 7.975 967 1HD2 LEU 121 1HD2 LEU 121 12.537 12.938 9.127 968 2HD2 LEU 121 2HD2 LEU 121 12.315 12.746 7.389 969 3HD2 LEU 121 3HD2 LEU 121 11.201 13.753 8.313 970 H GLU 122 H GLU 122 11.394 9.157 12.289 971 HA GLU 122 HA GLU 122 11.927 11.015 14.338 972 1HB GLU 122 2HB GLU 122 10.628 9.701 15.671 973 2HB GLU 122 3HB GLU 122 10.139 9.083 14.102 974 1HG GLU 122 2HG GLU 122 10.986 7.055 14.501 975 2HG GLU 122 3HG GLU 122 12.437 7.701 15.269 976 H GLU 123 H GLU 123 13.695 8.165 13.295 977 HA GLU 123 HA GLU 123 15.365 8.125 15.641 978 1HB GLU 123 2HB GLU 123 15.328 6.607 13.053 979 2HB GLU 123 3HB GLU 123 16.721 6.503 14.121 980 1HG GLU 123 2HG GLU 123 13.975 6.004 15.184 981 2HG GLU 123 3HG GLU 123 14.830 4.746 14.293 982 H GLY 124 H GLY 124 15.205 10.286 13.256 983 1HA GLY 124 1HA GLY 124 16.635 11.975 12.640 984 2HA GLY 124 2HA GLY 124 17.795 11.333 13.794 985 H LEU 125 H LEU 125 16.517 9.287 11.321 986 HA LEU 125 HA LEU 125 19.127 8.792 10.264 987 1HB LEU 125 2HB LEU 125 16.366 7.863 9.500 988 2HB LEU 125 3HB LEU 125 17.793 7.394 8.596 989 HG LEU 125 HG LEU 125 17.288 6.789 11.512 990 1HD1 LEU 125 1HD1 LEU 125 16.534 5.457 9.068 991 2HD1 LEU 125 2HD1 LEU 125 17.571 4.440 10.070 992 3HD1 LEU 125 3HD1 LEU 125 16.079 5.102 10.736 993 1HD2 LEU 125 1HD2 LEU 125 19.643 6.441 9.728 994 2HD2 LEU 125 2HD2 LEU 125 19.575 6.817 11.449 995 3HD2 LEU 125 3HD2 LEU 125 19.283 5.168 10.895 996 HA PRO 126 HA PRO 126 19.384 11.628 6.903 997 1HB PRO 126 2HB PRO 126 20.015 10.032 4.769 998 2HB PRO 126 3HB PRO 126 21.179 10.493 6.018 999 1HG PRO 126 2HG PRO 126 19.547 7.977 5.785 1000 2HG PRO 126 3HG PRO 126 21.285 8.156 6.138 1001 1HD PRO 126 2HD PRO 126 19.558 7.723 8.111 1002 2HD PRO 126 3HD PRO 126 20.883 8.890 8.323 1003 H SER 127 H SER 127 17.503 12.567 6.202 1004 HA SER 127 HA SER 127 15.813 10.972 4.424 1005 1HB SER 127 2HB SER 127 14.078 12.714 5.741 1006 2HB SER 127 3HB SER 127 14.221 10.976 6.022 1007 HG SER 127 HG SER 127 15.900 11.523 7.578 1008 H LEU 128 H LEU 128 14.712 12.189 2.841 1009 HA LEU 128 HA LEU 128 15.963 14.788 2.306 1010 1HB LEU 128 2HB LEU 128 14.544 12.843 0.485 1011 2HB LEU 128 3HB LEU 128 15.124 14.419 -0.020 1012 HG LEU 128 HG LEU 128 17.113 12.614 1.232 1013 1HD1 LEU 128 1HD1 LEU 128 16.013 12.165 -1.538 1014 2HD1 LEU 128 2HD1 LEU 128 17.480 11.430 -0.891 1015 3HD1 LEU 128 3HD1 LEU 128 15.914 11.052 -0.173 1016 1HD2 LEU 128 1HD2 LEU 128 17.023 14.718 -0.888 1017 2HD2 LEU 128 2HD2 LEU 128 18.042 14.614 0.546 1018 3HD2 LEU 128 3HD2 LEU 128 18.363 13.574 -0.841 1019 H ASP 129 H ASP 129 14.774 16.298 3.230 1020 HA ASP 129 HA ASP 129 11.944 16.474 2.468 1021 1HB ASP 129 2HB ASP 129 11.537 16.182 4.696 1022 2HB ASP 129 3HB ASP 129 13.171 16.632 5.160 1023 H ARG 130 H ARG 130 11.504 18.274 1.398 1024 HA ARG 130 HA ARG 130 13.642 20.005 0.708 1025 1HB ARG 130 2HB ARG 130 11.197 19.265 -0.416 1026 2HB ARG 130 3HB ARG 130 11.061 20.997 -0.145 1027 1HG ARG 130 2HG ARG 130 12.816 21.485 -1.575 1028 2HG ARG 130 3HG ARG 130 13.484 19.853 -1.468 1029 1HD ARG 130 2HD ARG 130 12.390 19.321 -3.323 1030 2HD ARG 130 3HD ARG 130 10.870 19.592 -2.475 1031 HE ARG 130 HE ARG 130 12.270 21.524 -4.190 1032 1HH1 ARG 130 1HH1 ARG 130 9.453 20.635 -2.310 1033 2HH1 ARG 130 2HH1 ARG 130 8.458 21.902 -2.960 1034 1HH2 ARG 130 1HH2 ARG 130 10.984 23.170 -5.051 1035 2HH2 ARG 130 2HH2 ARG 130 9.324 23.342 -4.545 1036 H SER 131 H SER 131 13.330 20.312 3.387 1037 HA SER 131 HA SER 131 13.124 21.827 5.068 1038 1HB SER 131 2HB SER 131 13.467 23.971 2.995 1039 2HB SER 131 3HB SER 131 14.169 23.860 4.610 1040 HG SER 131 HG SER 131 15.429 22.084 3.839 1041 H HIS 132 H HIS 132 11.006 21.574 5.677 1042 HA HIS 132 HA HIS 132 8.891 23.167 4.510 1043 1HB HIS 132 2HB HIS 132 9.115 21.228 6.787 1044 2HB HIS 132 3HB HIS 132 7.739 22.323 6.729 1045 HD1 HIS 132 HD1 HIS 132 9.378 19.584 4.656 1046 HD2 HIS 132 HD2 HIS 132 5.721 21.537 5.082 1047 HE1 HIS 132 HE1 HIS 132 7.753 18.321 3.211 1048 HE2 HIS 132 HE2 HIS 132 5.519 19.394 3.659 1049 H HIS 133 H HIS 133 10.216 25.155 4.777 1050 HA HIS 133 HA HIS 133 10.037 26.231 7.518 1051 1HB HIS 133 2HB HIS 133 12.324 25.738 6.146 1052 2HB HIS 133 3HB HIS 133 12.020 27.406 5.671 1053 HD1 HIS 133 HD1 HIS 133 12.511 29.212 7.369 1054 HD2 HIS 133 HD2 HIS 133 12.731 25.375 8.962 1055 HE1 HIS 133 HE1 HIS 133 13.490 29.484 9.667 1056 HE2 HIS 133 HE2 HIS 133 13.855 27.135 10.495 1057 H HIS 134 H HIS 134 9.062 26.651 4.288 1058 HA HIS 134 HA HIS 134 8.649 29.528 4.606 1059 1HB HIS 134 2HB HIS 134 9.130 27.836 2.379 1060 2HB HIS 134 3HB HIS 134 7.523 28.528 2.169 1061 HD1 HIS 134 HD1 HIS 134 9.052 29.632 0.094 1062 HD2 HIS 134 HD2 HIS 134 9.569 31.108 3.949 1063 HE1 HIS 134 HE1 HIS 134 10.104 31.904 -0.181 1064 HE2 HIS 134 HE2 HIS 134 10.328 32.816 2.161 1065 H HIS 135 H HIS 135 7.081 29.548 6.189 1066 HA HIS 135 HA HIS 135 4.386 29.325 5.278 1067 1HB HIS 135 2HB HIS 135 5.520 27.010 6.532 1068 2HB HIS 135 3HB HIS 135 4.313 27.701 7.607 1069 HD1 HIS 135 HD1 HIS 135 2.032 28.461 5.858 1070 HD2 HIS 135 HD2 HIS 135 4.330 25.062 5.123 1071 HE1 HIS 135 HE1 HIS 135 0.589 26.946 4.468 1072 HE2 HIS 135 HE2 HIS 135 1.936 24.840 4.159 1073 H HIS 136 H HIS 136 4.610 31.549 5.939 1074 HA HIS 136 HA HIS 136 5.036 32.263 8.681 1075 1HB HIS 136 2HB HIS 136 5.368 34.077 7.246 1076 2HB HIS 136 3HB HIS 136 3.982 33.670 6.244 1077 HD1 HIS 136 HD1 HIS 136 1.903 34.994 6.636 1078 HD2 HIS 136 HD2 HIS 136 4.580 35.285 9.813 1079 HE1 HIS 136 HE1 HIS 136 0.908 36.684 8.213 1080 HE2 HIS 136 HE2 HIS 136 2.508 36.804 10.156 1081 H HIS 137 H HIS 137 2.383 31.242 6.729 1082 HA HIS 137 HA HIS 137 0.857 30.446 8.963 1083 1HB HIS 137 2HB HIS 137 0.375 33.048 8.531 1084 2HB HIS 137 3HB HIS 137 -0.702 32.382 7.306 1085 HD1 HIS 137 HD1 HIS 137 -1.212 29.814 9.363 1086 HD2 HIS 137 HD2 HIS 137 -1.976 33.864 9.946 1087 HE1 HIS 137 HE1 HIS 137 -2.991 29.922 11.134 1088 HE2 HIS 137 HE2 HIS 137 -3.388 32.379 11.530 1089 1H ALA 1 H1 ALA 1 22.769 -10.976 -12.434 1090 2H ALA 1 H2 ALA 1 24.008 -11.660 -13.371 1091 3H ALA 1 H3 ALA 1 24.380 -10.892 -11.905 1092 HA ALA 1 HA ALA 1 24.570 -8.943 -12.861 1093 1HB ALA 1 1HB ALA 1 24.215 -10.703 -15.251 1094 2HB ALA 1 2HB ALA 1 24.366 -8.959 -15.456 1095 3HB ALA 1 3HB ALA 1 25.659 -9.871 -14.678 1096 H ASP 2 H ASP 2 21.858 -10.487 -14.595 1097 HA ASP 2 HA ASP 2 20.057 -8.477 -13.553 1098 1HB ASP 2 2HB ASP 2 20.437 -7.193 -15.432 1099 2HB ASP 2 3HB ASP 2 20.847 -8.583 -16.433 1100 H MET 3 H MET 3 18.423 -9.588 -12.822 1101 HA MET 3 HA MET 3 17.468 -11.913 -14.360 1102 1HB MET 3 2HB MET 3 18.380 -12.018 -11.806 1103 2HB MET 3 3HB MET 3 16.677 -11.686 -11.521 1104 1HG MET 3 2HG MET 3 16.549 -13.929 -11.562 1105 2HG MET 3 3HG MET 3 16.420 -13.654 -13.298 1106 1HE MET 3 1HE MET 3 17.019 -16.032 -11.599 1107 2HE MET 3 2HE MET 3 17.893 -16.847 -12.899 1108 3HE MET 3 3HE MET 3 18.698 -16.526 -11.364 1109 H GLY 4 H GLY 4 16.885 -8.921 -14.368 1110 1HA GLY 4 1HA GLY 4 14.450 -8.350 -13.177 1111 2HA GLY 4 2HA GLY 4 15.092 -7.535 -14.591 1112 H GLU 5 H GLU 5 15.045 -9.594 -16.427 1113 HA GLU 5 HA GLU 5 12.310 -9.534 -17.211 1114 1HB GLU 5 2HB GLU 5 14.527 -11.267 -18.309 1115 2HB GLU 5 3HB GLU 5 13.007 -10.885 -19.107 1116 1HG GLU 5 2HG GLU 5 13.677 -8.491 -19.103 1117 2HG GLU 5 3HG GLU 5 15.243 -8.980 -18.457 1118 H LYS 6 H LYS 6 14.318 -11.858 -15.582 1119 HA LYS 6 HA LYS 6 12.648 -14.088 -15.993 1120 1HB LYS 6 2HB LYS 6 14.752 -13.645 -13.875 1121 2HB LYS 6 3HB LYS 6 14.044 -15.197 -14.305 1122 1HG LYS 6 2HG LYS 6 15.740 -13.440 -16.069 1123 2HG LYS 6 3HG LYS 6 16.204 -14.981 -15.344 1124 1HD LYS 6 2HD LYS 6 15.175 -16.167 -16.945 1125 2HD LYS 6 3HD LYS 6 13.752 -15.124 -16.926 1126 1HE LYS 6 2HE LYS 6 14.423 -14.295 -18.878 1127 2HE LYS 6 3HE LYS 6 15.790 -13.570 -18.035 1128 1HZ LYS 6 HZ1 LYS 6 15.842 -16.348 -19.075 1129 2HZ LYS 6 HZ2 LYS 6 16.351 -15.013 -19.994 1130 3HZ LYS 6 HZ3 LYS 6 17.149 -15.406 -18.548 1131 H PHE 7 H PHE 7 13.076 -12.059 -13.035 1132 HA PHE 7 HA PHE 7 10.919 -13.537 -11.827 1133 1HB PHE 7 2HB PHE 7 11.247 -11.915 -9.883 1134 2HB PHE 7 3HB PHE 7 12.538 -13.045 -10.244 1135 HD1 PHE 7 HD1 PHE 7 11.701 -9.712 -11.720 1136 HD2 PHE 7 HD2 PHE 7 14.487 -12.091 -9.559 1137 HE1 PHE 7 HE1 PHE 7 13.297 -7.840 -11.715 1138 HE2 PHE 7 HE2 PHE 7 16.089 -10.229 -9.560 1139 HZ PHE 7 HZ PHE 7 15.495 -8.096 -10.633 1140 H ASP 8 H ASP 8 11.182 -10.594 -13.554 1141 HA ASP 8 HA ASP 8 9.066 -9.087 -12.583 1142 1HB ASP 8 2HB ASP 8 10.511 -8.227 -14.345 1143 2HB ASP 8 3HB ASP 8 9.911 -9.436 -15.471 1144 H ALA 9 H ALA 9 8.963 -11.703 -14.967 1145 HA ALA 9 HA ALA 9 6.189 -11.699 -15.424 1146 1HB ALA 9 1HB ALA 9 8.182 -13.953 -15.606 1147 2HB ALA 9 2HB ALA 9 6.539 -13.997 -16.245 1148 3HB ALA 9 3HB ALA 9 7.709 -12.853 -16.902 1149 H THR 10 H THR 10 8.177 -13.330 -12.969 1150 HA THR 10 HA THR 10 6.051 -14.891 -11.913 1151 HB THR 10 HB THR 10 8.359 -14.145 -10.187 1152 HG1 THR 10 HG1 THR 10 8.522 -15.582 -12.644 1153 1HG2 THR 10 1HG2 THR 10 6.867 -16.681 -10.862 1154 2HG2 THR 10 2HG2 THR 10 8.337 -16.665 -9.888 1155 3HG2 THR 10 3HG2 THR 10 6.898 -15.816 -9.325 1156 H PHE 11 H PHE 11 7.571 -11.828 -10.879 1157 HA PHE 11 HA PHE 11 6.058 -11.409 -8.571 1158 1HB PHE 11 2HB PHE 11 8.044 -10.028 -9.752 1159 2HB PHE 11 3HB PHE 11 6.680 -9.023 -10.238 1160 HD1 PHE 11 HD1 PHE 11 4.915 -8.901 -8.050 1161 HD2 PHE 11 HD2 PHE 11 9.167 -9.110 -7.981 1162 HE1 PHE 11 HE1 PHE 11 4.931 -7.849 -5.818 1163 HE2 PHE 11 HE2 PHE 11 9.188 -8.062 -5.758 1164 HZ PHE 11 HZ PHE 11 7.075 -7.441 -4.670 1165 H LYS 12 H LYS 12 5.421 -10.574 -11.909 1166 HA LYS 12 HA LYS 12 2.926 -9.290 -11.497 1167 1HB LYS 12 2HB LYS 12 4.377 -9.091 -13.533 1168 2HB LYS 12 3HB LYS 12 3.888 -10.720 -13.970 1169 1HG LYS 12 2HG LYS 12 2.514 -9.304 -15.229 1170 2HG LYS 12 3HG LYS 12 1.499 -9.860 -13.893 1171 1HD LYS 12 2HD LYS 12 1.078 -7.572 -13.981 1172 2HD LYS 12 3HD LYS 12 2.279 -7.719 -12.695 1173 1HE LYS 12 2HE LYS 12 3.378 -7.351 -15.397 1174 2HE LYS 12 3HE LYS 12 2.453 -5.986 -14.776 1175 1HZ LYS 12 HZ1 LYS 12 4.680 -7.290 -13.318 1176 2HZ LYS 12 HZ2 LYS 12 4.844 -5.883 -14.246 1177 3HZ LYS 12 HZ3 LYS 12 3.855 -5.884 -12.861 1178 H ALA 13 H ALA 13 3.890 -12.615 -11.690 1179 HA ALA 13 HA ALA 13 1.284 -13.680 -12.268 1180 1HB ALA 13 1HB ALA 13 3.785 -14.990 -11.207 1181 2HB ALA 13 2HB ALA 13 2.317 -15.851 -11.675 1182 3HB ALA 13 3HB ALA 13 3.234 -14.953 -12.884 1183 H GLN 14 H GLN 14 3.319 -13.447 -9.383 1184 HA GLN 14 HA GLN 14 1.467 -14.594 -7.573 1185 1HB GLN 14 2HB GLN 14 3.718 -12.629 -7.106 1186 2HB GLN 14 3HB GLN 14 2.822 -13.418 -5.819 1187 1HG GLN 14 2HG GLN 14 3.735 -15.436 -7.580 1188 2HG GLN 14 3HG GLN 14 5.088 -14.355 -7.249 1189 1HE2 GLN 14 1HE2 GLN 14 6.292 -15.140 -5.679 1190 2HE2 GLN 14 2HE2 GLN 14 5.731 -15.911 -4.230 1191 H VAL 15 H VAL 15 2.270 -11.234 -8.288 1192 HA VAL 15 HA VAL 15 0.405 -10.107 -6.542 1193 HB VAL 15 HB VAL 15 2.461 -9.178 -8.170 1194 1HG1 VAL 15 1HG1 VAL 15 0.169 -8.660 -9.613 1195 2HG1 VAL 15 2HG1 VAL 15 0.476 -7.148 -8.761 1196 3HG1 VAL 15 3HG1 VAL 15 1.723 -7.846 -9.791 1197 1HG2 VAL 15 1HG2 VAL 15 0.575 -7.741 -6.315 1198 2HG2 VAL 15 2HG2 VAL 15 2.128 -8.474 -5.913 1199 3HG2 VAL 15 3HG2 VAL 15 2.069 -7.042 -6.940 1200 H LYS 16 H LYS 16 0.076 -11.115 -9.893 1201 HA LYS 16 HA LYS 16 -2.367 -9.779 -10.437 1202 1HB LYS 16 2HB LYS 16 -0.770 -10.900 -12.101 1203 2HB LYS 16 3HB LYS 16 -1.551 -12.409 -11.656 1204 1HG LYS 16 2HG LYS 16 -3.735 -11.320 -12.311 1205 2HG LYS 16 3HG LYS 16 -2.764 -10.024 -13.014 1206 1HD LYS 16 2HD LYS 16 -2.317 -12.911 -13.724 1207 2HD LYS 16 3HD LYS 16 -3.506 -11.919 -14.569 1208 1HE LYS 16 2HE LYS 16 -0.968 -10.557 -14.349 1209 2HE LYS 16 3HE LYS 16 -0.783 -12.130 -15.124 1210 1HZ LYS 16 HZ1 LYS 16 -2.914 -10.276 -15.979 1211 2HZ LYS 16 HZ2 LYS 16 -1.331 -10.100 -16.565 1212 3HZ LYS 16 HZ3 LYS 16 -2.183 -11.542 -16.847 1213 H ALA 17 H ALA 17 -1.596 -12.962 -9.123 1214 HA ALA 17 HA ALA 17 -4.135 -14.099 -9.140 1215 1HB ALA 17 1HB ALA 17 -1.729 -14.505 -7.408 1216 2HB ALA 17 2HB ALA 17 -3.220 -15.397 -7.109 1217 3HB ALA 17 3HB ALA 17 -2.392 -15.556 -8.658 1218 H ALA 18 H ALA 18 -2.794 -11.686 -7.045 1219 HA ALA 18 HA ALA 18 -4.708 -11.967 -4.943 1220 1HB ALA 18 1HB ALA 18 -2.417 -10.946 -4.722 1221 2HB ALA 18 2HB ALA 18 -3.060 -9.520 -5.539 1222 3HB ALA 18 3HB ALA 18 -3.735 -10.029 -3.991 1223 H LYS 19 H LYS 19 -4.573 -10.124 -7.935 1224 HA LYS 19 HA LYS 19 -6.965 -8.605 -7.327 1225 1HB LYS 19 2HB LYS 19 -5.842 -7.272 -8.757 1226 2HB LYS 19 3HB LYS 19 -4.859 -8.594 -9.357 1227 1HG LYS 19 2HG LYS 19 -6.316 -9.073 -11.079 1228 2HG LYS 19 3HG LYS 19 -7.691 -8.318 -10.266 1229 1HD LYS 19 2HD LYS 19 -7.171 -6.252 -11.027 1230 2HD LYS 19 3HD LYS 19 -5.434 -6.522 -10.877 1231 1HE LYS 19 2HE LYS 19 -5.523 -6.512 -13.134 1232 2HE LYS 19 3HE LYS 19 -5.984 -8.199 -12.907 1233 1HZ LYS 19 HZ1 LYS 19 -8.072 -6.121 -12.953 1234 2HZ LYS 19 HZ2 LYS 19 -7.400 -6.655 -14.412 1235 3HZ LYS 19 HZ3 LYS 19 -8.170 -7.759 -13.386 1236 H ALA 20 H ALA 20 -6.010 -11.569 -8.720 1237 HA ALA 20 HA ALA 20 -8.413 -11.979 -10.275 1238 1HB ALA 20 1HB ALA 20 -5.971 -12.801 -10.737 1239 2HB ALA 20 2HB ALA 20 -6.476 -14.177 -9.755 1240 3HB ALA 20 3HB ALA 20 -7.360 -13.772 -11.227 1241 H ASP 21 H ASP 21 -7.448 -12.627 -7.072 1242 HA ASP 21 HA ASP 21 -8.800 -15.047 -6.631 1243 1HB ASP 21 2HB ASP 21 -7.001 -13.782 -5.207 1244 2HB ASP 21 3HB ASP 21 -8.402 -13.057 -4.427 1245 H MET 22 H MET 22 -9.951 -11.773 -6.683 1246 HA MET 22 HA MET 22 -12.551 -12.711 -5.657 1247 1HB MET 22 2HB MET 22 -12.877 -10.228 -5.087 1248 2HB MET 22 3HB MET 22 -11.794 -11.172 -4.073 1249 1HG MET 22 2HG MET 22 -9.941 -10.295 -5.633 1250 2HG MET 22 3HG MET 22 -11.133 -9.086 -6.108 1251 1HE MET 22 1HE MET 22 -12.571 -7.875 -4.262 1252 2HE MET 22 2HE MET 22 -12.576 -9.005 -2.910 1253 3HE MET 22 3HE MET 22 -11.934 -7.377 -2.695 1254 H VAL 23 H VAL 23 -14.335 -11.049 -6.330 1255 HA VAL 23 HA VAL 23 -14.564 -11.227 -9.173 1256 HB VAL 23 HB VAL 23 -16.373 -9.766 -7.239 1257 1HG1 VAL 23 1HG1 VAL 23 -16.642 -9.218 -9.652 1258 2HG1 VAL 23 2HG1 VAL 23 -17.002 -10.918 -9.952 1259 3HG1 VAL 23 3HG1 VAL 23 -18.067 -9.960 -8.923 1260 1HG2 VAL 23 1HG2 VAL 23 -15.848 -12.334 -6.940 1261 2HG2 VAL 23 2HG2 VAL 23 -17.485 -11.705 -6.760 1262 3HG2 VAL 23 3HG2 VAL 23 -17.003 -12.486 -8.263 1263 H MET 24 H MET 24 -13.561 -9.865 -10.480 1264 HA MET 24 HA MET 24 -12.770 -7.231 -9.616 1265 1HB MET 24 2HB MET 24 -12.276 -8.958 -11.977 1266 2HB MET 24 3HB MET 24 -12.131 -7.222 -12.218 1267 1HG MET 24 2HG MET 24 -10.779 -8.132 -9.817 1268 2HG MET 24 3HG MET 24 -10.175 -8.908 -11.281 1269 1HE MET 24 1HE MET 24 -10.748 -5.637 -9.339 1270 2HE MET 24 2HE MET 24 -9.158 -6.322 -8.993 1271 3HE MET 24 3HE MET 24 -9.290 -4.762 -9.807 1272 H LEU 25 H LEU 25 -14.235 -5.655 -9.536 1273 HA LEU 25 HA LEU 25 -16.121 -5.419 -11.782 1274 1HB LEU 25 2HB LEU 25 -16.575 -5.472 -8.930 1275 2HB LEU 25 3HB LEU 25 -17.139 -3.959 -9.612 1276 HG LEU 25 HG LEU 25 -18.154 -6.728 -10.049 1277 1HD1 LEU 25 1HD1 LEU 25 -19.189 -5.045 -8.501 1278 2HD1 LEU 25 2HD1 LEU 25 -19.586 -4.085 -9.927 1279 3HD1 LEU 25 3HD1 LEU 25 -20.268 -5.699 -9.733 1280 1HD2 LEU 25 1HD2 LEU 25 -18.307 -4.507 -12.081 1281 2HD2 LEU 25 2HD2 LEU 25 -17.630 -6.121 -12.305 1282 3HD2 LEU 25 3HD2 LEU 25 -19.366 -5.917 -12.075 1283 H SER 26 H SER 26 -16.512 -3.413 -12.612 1284 HA SER 26 HA SER 26 -14.382 -1.496 -12.325 1285 1HB SER 26 2HB SER 26 -16.527 -0.495 -13.926 1286 2HB SER 26 3HB SER 26 -14.951 -1.086 -14.457 1287 HG SER 26 HG SER 26 -15.792 -3.153 -14.616 1288 HA PRO 27 HA PRO 27 -15.969 1.017 -9.087 1289 1HB PRO 27 2HB PRO 27 -15.353 3.488 -10.332 1290 2HB PRO 27 3HB PRO 27 -14.364 2.595 -9.176 1291 1HG PRO 27 2HG PRO 27 -14.236 2.638 -12.148 1292 2HG PRO 27 3HG PRO 27 -12.924 2.475 -10.965 1293 1HD PRO 27 2HD PRO 27 -13.747 0.359 -12.325 1294 2HD PRO 27 3HD PRO 27 -13.374 0.214 -10.600 1295 H LYS 28 H LYS 28 -17.113 1.521 -12.376 1296 HA LYS 28 HA LYS 28 -19.179 3.377 -11.652 1297 1HB LYS 28 2HB LYS 28 -18.755 1.671 -14.108 1298 2HB LYS 28 3HB LYS 28 -20.085 2.807 -13.931 1299 1HG LYS 28 2HG LYS 28 -17.981 4.401 -13.345 1300 2HG LYS 28 3HG LYS 28 -17.248 3.289 -14.500 1301 1HD LYS 28 2HD LYS 28 -19.825 4.767 -15.006 1302 2HD LYS 28 3HD LYS 28 -18.241 5.359 -15.505 1303 1HE LYS 28 2HE LYS 28 -19.126 2.612 -16.287 1304 2HE LYS 28 3HE LYS 28 -19.714 4.013 -17.179 1305 1HZ LYS 28 HZ1 LYS 28 -16.873 4.074 -16.768 1306 2HZ LYS 28 HZ2 LYS 28 -17.372 2.699 -17.626 1307 3HZ LYS 28 HZ3 LYS 28 -17.767 4.245 -18.204 1308 H ASP 29 H ASP 29 -18.990 -0.116 -12.193 1309 HA ASP 29 HA ASP 29 -21.788 -0.538 -11.589 1310 1HB ASP 29 2HB ASP 29 -19.965 -2.032 -12.951 1311 2HB ASP 29 3HB ASP 29 -19.935 -2.837 -11.381 1312 H ALA 30 H ALA 30 -18.729 -0.616 -9.969 1313 HA ALA 30 HA ALA 30 -19.529 -1.918 -7.587 1314 1HB ALA 30 1HB ALA 30 -17.157 -1.482 -8.335 1315 2HB ALA 30 2HB ALA 30 -17.371 0.172 -7.760 1316 3HB ALA 30 3HB ALA 30 -17.501 -1.179 -6.632 1317 H TYR 31 H TYR 31 -19.318 1.524 -8.474 1318 HA TYR 31 HA TYR 31 -20.363 2.467 -6.008 1319 1HB TYR 31 HB2 TYR 31 -19.119 4.004 -7.359 1320 2HB TYR 31 HB3 TYR 31 -20.189 3.756 -8.731 1321 HD1 TYR 31 HD1 TYR 31 -20.096 5.069 -5.266 1322 HD2 TYR 31 HD2 TYR 31 -22.074 5.141 -9.028 1323 HE1 TYR 31 HE1 TYR 31 -21.486 6.934 -4.487 1324 HE2 TYR 31 HE2 TYR 31 -23.481 7.003 -8.261 1325 HH TYR 31 HH TYR 31 -23.426 8.094 -4.921 1326 H LYS 32 H LYS 32 -21.812 1.407 -9.015 1327 HA LYS 32 HA LYS 32 -24.380 2.434 -8.726 1328 1HB LYS 32 2HB LYS 32 -23.583 1.353 -10.778 1329 2HB LYS 32 3HB LYS 32 -23.549 -0.201 -9.956 1330 1HG LYS 32 2HG LYS 32 -25.539 -0.371 -11.044 1331 2HG LYS 32 3HG LYS 32 -26.088 0.344 -9.528 1332 1HD LYS 32 2HD LYS 32 -26.326 2.469 -10.484 1333 2HD LYS 32 3HD LYS 32 -25.334 2.047 -11.882 1334 1HE LYS 32 2HE LYS 32 -27.350 1.833 -12.884 1335 2HE LYS 32 3HE LYS 32 -27.291 0.230 -12.154 1336 1HZ LYS 32 HZ1 LYS 32 -28.517 1.176 -10.229 1337 2HZ LYS 32 HZ2 LYS 32 -28.692 2.626 -11.098 1338 3HZ LYS 32 HZ3 LYS 32 -29.397 1.201 -11.682 1339 H LEU 33 H LEU 33 -23.123 -0.722 -7.617 1340 HA LEU 33 HA LEU 33 -25.568 -1.374 -6.279 1341 1HB LEU 33 2HB LEU 33 -23.944 -3.069 -5.084 1342 2HB LEU 33 3HB LEU 33 -24.497 -3.326 -6.724 1343 HG LEU 33 HG LEU 33 -22.170 -1.908 -7.104 1344 1HD1 LEU 33 1HD1 LEU 33 -21.914 -2.391 -4.536 1345 2HD1 LEU 33 2HD1 LEU 33 -21.410 -3.983 -5.108 1346 3HD1 LEU 33 3HD1 LEU 33 -20.536 -2.538 -5.629 1347 1HD2 LEU 33 1HD2 LEU 33 -23.202 -4.152 -8.044 1348 2HD2 LEU 33 2HD2 LEU 33 -21.484 -3.790 -8.207 1349 3HD2 LEU 33 3HD2 LEU 33 -22.040 -4.876 -6.932 1350 H LEU 34 H LEU 34 -22.720 0.395 -5.451 1351 HA LEU 34 HA LEU 34 -22.882 0.271 -2.633 1352 1HB LEU 34 2HB LEU 34 -21.644 2.152 -4.598 1353 2HB LEU 34 3HB LEU 34 -21.739 2.625 -2.914 1354 HG LEU 34 HG LEU 34 -20.423 0.081 -3.851 1355 1HD1 LEU 34 1HD1 LEU 34 -19.520 2.666 -4.310 1356 2HD1 LEU 34 2HD1 LEU 34 -18.656 2.149 -2.862 1357 3HD1 LEU 34 3HD1 LEU 34 -18.556 1.191 -4.338 1358 1HD2 LEU 34 1HD2 LEU 34 -21.304 0.345 -1.469 1359 2HD2 LEU 34 2HD2 LEU 34 -19.613 -0.119 -1.663 1360 3HD2 LEU 34 3HD2 LEU 34 -20.030 1.547 -1.262 1361 H GLN 35 H GLN 35 -24.109 2.700 -4.941 1362 HA GLN 35 HA GLN 35 -25.353 4.254 -2.918 1363 1HB GLN 35 2HB GLN 35 -26.564 5.317 -4.907 1364 2HB GLN 35 3HB GLN 35 -24.815 5.466 -4.835 1365 1HG GLN 35 2HG GLN 35 -24.606 4.509 -6.813 1366 2HG GLN 35 3HG GLN 35 -25.515 3.097 -6.275 1367 1HE2 GLN 35 1HE2 GLN 35 -27.254 2.678 -7.397 1368 2HE2 GLN 35 2HE2 GLN 35 -28.224 3.828 -8.248 1369 H GLU 36 H GLU 36 -26.448 1.598 -4.902 1370 HA GLU 36 HA GLU 36 -29.221 2.019 -4.269 1371 1HB GLU 36 2HB GLU 36 -27.659 0.267 -5.997 1372 2HB GLU 36 3HB GLU 36 -29.012 -0.556 -5.233 1373 1HG GLU 36 2HG GLU 36 -30.580 0.871 -6.209 1374 2HG GLU 36 3HG GLU 36 -29.353 2.067 -6.632 1375 H ASN 37 H ASN 37 -26.649 -0.130 -3.160 1376 HA ASN 37 HA ASN 37 -28.529 -1.283 -1.213 1377 1HB ASN 37 2HB ASN 37 -26.078 -2.334 -2.570 1378 2HB ASN 37 3HB ASN 37 -26.516 -2.966 -0.988 1379 1HD2 ASN 37 1HD2 ASN 37 -27.179 -2.973 -4.330 1380 2HD2 ASN 37 2HD2 ASN 37 -28.478 -4.115 -4.303 1381 HA PRO 38 HA PRO 38 -26.078 1.166 1.704 1382 1HB PRO 38 2HB PRO 38 -27.805 0.917 3.762 1383 2HB PRO 38 3HB PRO 38 -28.089 2.048 2.432 1384 1HG PRO 38 2HG PRO 38 -29.251 -0.675 2.886 1385 2HG PRO 38 3HG PRO 38 -30.057 0.808 2.341 1386 1HD PRO 38 2HD PRO 38 -29.273 -1.177 0.644 1387 2HD PRO 38 3HD PRO 38 -29.372 0.528 0.166 1388 H ASP 39 H ASP 39 -26.707 -2.043 1.388 1389 HA ASP 39 HA ASP 39 -25.500 -2.893 3.912 1390 1HB ASP 39 2HB ASP 39 -27.497 -4.000 2.338 1391 2HB ASP 39 3HB ASP 39 -26.086 -4.972 1.939 1392 H ILE 40 H ILE 40 -24.887 -2.582 0.507 1393 HA ILE 40 HA ILE 40 -22.405 -4.063 0.615 1394 HB ILE 40 HB ILE 40 -23.571 -2.380 -1.613 1395 1HG1 ILE 40 2HG1 ILE 40 -23.448 -5.381 -1.209 1396 2HG1 ILE 40 3HG1 ILE 40 -24.896 -4.384 -1.108 1397 1HG2 ILE 40 1HG2 ILE 40 -20.947 -2.999 -1.310 1398 2HG2 ILE 40 2HG2 ILE 40 -21.519 -4.396 -2.221 1399 3HG2 ILE 40 3HG2 ILE 40 -21.741 -2.771 -2.868 1400 1HD1 ILE 40 1HD1 ILE 40 -24.194 -3.742 -3.568 1401 2HD1 ILE 40 2HD1 ILE 40 -23.384 -5.306 -3.483 1402 3HD1 ILE 40 3HD1 ILE 40 -25.123 -5.199 -3.213 1403 H THR 41 H THR 41 -20.786 -3.174 1.648 1404 HA THR 41 HA THR 41 -20.479 -0.260 1.630 1405 HB THR 41 HB THR 41 -18.836 -2.092 3.343 1406 HG1 THR 41 HG1 THR 41 -21.339 -2.438 3.322 1407 1HG2 THR 41 1HG2 THR 41 -18.827 0.571 3.143 1408 2HG2 THR 41 2HG2 THR 41 -20.125 0.394 4.324 1409 3HG2 THR 41 3HG2 THR 41 -18.525 -0.263 4.669 1410 H LEU 42 H LEU 42 -18.553 0.748 0.957 1411 HA LEU 42 HA LEU 42 -16.683 -0.990 -0.500 1412 1HB LEU 42 2HB LEU 42 -17.505 0.761 -1.925 1413 2HB LEU 42 3HB LEU 42 -17.218 1.979 -0.696 1414 HG LEU 42 HG LEU 42 -14.705 1.154 -1.004 1415 1HD1 LEU 42 1HD1 LEU 42 -15.910 -0.400 -2.892 1416 2HD1 LEU 42 2HD1 LEU 42 -15.364 0.981 -3.844 1417 3HD1 LEU 42 3HD1 LEU 42 -14.207 0.058 -2.885 1418 1HD2 LEU 42 1HD2 LEU 42 -15.877 3.424 -1.468 1419 2HD2 LEU 42 2HD2 LEU 42 -14.315 3.077 -2.211 1420 3HD2 LEU 42 3HD2 LEU 42 -15.800 2.913 -3.156 1421 H ILE 43 H ILE 43 -14.729 -1.316 0.318 1422 HA ILE 43 HA ILE 43 -13.902 0.385 2.568 1423 HB ILE 43 HB ILE 43 -13.343 -2.512 1.980 1424 1HG1 ILE 43 2HG1 ILE 43 -13.833 -1.860 4.718 1425 2HG1 ILE 43 3HG1 ILE 43 -15.051 -1.063 3.725 1426 1HG2 ILE 43 1HG2 ILE 43 -11.675 -0.585 3.525 1427 2HG2 ILE 43 2HG2 ILE 43 -11.851 -2.233 4.131 1428 3HG2 ILE 43 3HG2 ILE 43 -11.181 -1.950 2.524 1429 1HD1 ILE 43 1HD1 ILE 43 -15.041 -3.533 2.635 1430 2HD1 ILE 43 2HD1 ILE 43 -14.645 -3.903 4.313 1431 3HD1 ILE 43 3HD1 ILE 43 -16.120 -3.016 3.929 1432 H ASP 44 H ASP 44 -12.383 1.766 2.110 1433 HA ASP 44 HA ASP 44 -10.576 1.184 -0.121 1434 1HB ASP 44 2HB ASP 44 -11.254 3.244 -0.748 1435 2HB ASP 44 3HB ASP 44 -11.895 3.611 0.845 1436 H VAL 45 H VAL 45 -8.521 0.971 0.220 1437 HA VAL 45 HA VAL 45 -7.408 1.752 2.810 1438 HB VAL 45 HB VAL 45 -5.986 -0.282 2.915 1439 1HG1 VAL 45 1HG1 VAL 45 -8.188 0.031 4.127 1440 2HG1 VAL 45 2HG1 VAL 45 -8.891 -1.040 2.917 1441 3HG1 VAL 45 3HG1 VAL 45 -7.603 -1.625 3.970 1442 1HG2 VAL 45 1HG2 VAL 45 -6.369 -0.830 0.433 1443 2HG2 VAL 45 2HG2 VAL 45 -6.294 -2.157 1.589 1444 3HG2 VAL 45 3HG2 VAL 45 -7.855 -1.601 0.987 1445 H ARG 46 H ARG 46 -6.304 3.396 2.149 1446 HA ARG 46 HA ARG 46 -4.000 2.998 0.447 1447 1HB ARG 46 2HB ARG 46 -6.409 4.096 -0.582 1448 2HB ARG 46 3HB ARG 46 -5.268 5.422 -0.409 1449 1HG ARG 46 2HG ARG 46 -4.665 2.854 -1.850 1450 2HG ARG 46 3HG ARG 46 -5.236 4.327 -2.635 1451 1HD ARG 46 2HD ARG 46 -2.881 4.582 -0.864 1452 2HD ARG 46 3HD ARG 46 -2.645 3.709 -2.377 1453 HE ARG 46 HE ARG 46 -3.961 6.036 -3.047 1454 1HH1 ARG 46 1HH1 ARG 46 -0.933 5.229 -1.460 1455 2HH1 ARG 46 2HH1 ARG 46 -0.123 6.645 -2.074 1456 1HH2 ARG 46 1HH2 ARG 46 -2.850 7.904 -3.811 1457 2HH2 ARG 46 2HH2 ARG 46 -1.174 8.121 -3.361 1458 H ASP 47 H ASP 47 -2.659 4.993 0.421 1459 HA ASP 47 HA ASP 47 -2.269 5.886 3.061 1460 1HB ASP 47 2HB ASP 47 -0.376 7.050 2.199 1461 2HB ASP 47 3HB ASP 47 -1.076 7.142 0.585 1462 HA PRO 48 HA PRO 48 -5.348 8.879 3.313 1463 1HB PRO 48 2HB PRO 48 -4.398 10.237 5.506 1464 2HB PRO 48 3HB PRO 48 -5.218 8.672 5.569 1465 1HG PRO 48 2HG PRO 48 -2.281 9.272 5.574 1466 2HG PRO 48 3HG PRO 48 -3.191 8.133 6.589 1467 1HD PRO 48 2HD PRO 48 -1.799 7.265 4.495 1468 2HD PRO 48 3HD PRO 48 -3.400 6.580 4.861 1469 H ASP 49 H ASP 49 -2.110 9.936 2.760 1470 HA ASP 49 HA ASP 49 -2.754 12.716 2.932 1471 1HB ASP 49 2HB ASP 49 -0.365 11.305 2.916 1472 2HB ASP 49 3HB ASP 49 -0.332 12.242 1.422 1473 H GLU 50 H GLU 50 -2.170 10.559 0.146 1474 HA GLU 50 HA GLU 50 -2.670 12.634 -1.757 1475 1HB GLU 50 2HB GLU 50 -1.401 10.411 -2.110 1476 2HB GLU 50 3HB GLU 50 -2.996 9.699 -2.320 1477 1HG GLU 50 2HG GLU 50 -2.957 11.974 -3.950 1478 2HG GLU 50 3HG GLU 50 -1.400 11.184 -4.183 1479 H LEU 51 H LEU 51 -4.589 10.260 -0.089 1480 HA LEU 51 HA LEU 51 -7.006 10.496 -1.548 1481 1HB LEU 51 2HB LEU 51 -6.096 9.129 0.734 1482 2HB LEU 51 3HB LEU 51 -7.434 10.120 1.280 1483 HG LEU 51 HG LEU 51 -8.574 9.047 -0.893 1484 1HD1 LEU 51 1HD1 LEU 51 -6.178 7.645 -0.752 1485 2HD1 LEU 51 2HD1 LEU 51 -7.376 6.555 -0.052 1486 3HD1 LEU 51 3HD1 LEU 51 -7.613 7.199 -1.676 1487 1HD2 LEU 51 1HD2 LEU 51 -8.594 8.599 1.941 1488 2HD2 LEU 51 2HD2 LEU 51 -9.919 8.483 0.782 1489 3HD2 LEU 51 3HD2 LEU 51 -8.888 7.084 1.089 1490 H LYS 52 H LYS 52 -5.704 12.166 1.250 1491 HA LYS 52 HA LYS 52 -7.904 13.793 1.837 1492 1HB LYS 52 2HB LYS 52 -5.772 13.280 3.204 1493 2HB LYS 52 3HB LYS 52 -5.053 14.616 2.321 1494 1HG LYS 52 2HG LYS 52 -6.449 16.187 3.316 1495 2HG LYS 52 3HG LYS 52 -7.625 14.968 3.812 1496 1HD LYS 52 2HD LYS 52 -6.349 15.764 5.730 1497 2HD LYS 52 3HD LYS 52 -6.005 14.063 5.416 1498 1HE LYS 52 2HE LYS 52 -4.156 15.632 3.930 1499 2HE LYS 52 3HE LYS 52 -4.188 16.243 5.585 1500 1HZ LYS 52 HZ1 LYS 52 -4.111 13.369 5.404 1501 2HZ LYS 52 HZ2 LYS 52 -2.740 14.125 4.741 1502 3HZ LYS 52 HZ3 LYS 52 -3.186 14.419 6.354 1503 H ALA 53 H ALA 53 -5.167 14.280 -0.331 1504 HA ALA 53 HA ALA 53 -5.968 17.032 -0.791 1505 1HB ALA 53 1HB ALA 53 -3.581 16.241 -0.361 1506 2HB ALA 53 2HB ALA 53 -3.595 15.686 -2.034 1507 3HB ALA 53 3HB ALA 53 -3.835 17.395 -1.671 1508 H MET 54 H MET 54 -5.485 14.092 -2.771 1509 HA MET 54 HA MET 54 -6.204 15.595 -5.130 1510 1HB MET 54 2HB MET 54 -5.293 12.766 -4.685 1511 2HB MET 54 3HB MET 54 -5.816 13.338 -6.264 1512 1HG MET 54 2HG MET 54 -3.911 15.164 -5.130 1513 2HG MET 54 3HG MET 54 -3.266 13.523 -5.132 1514 1HE MET 54 1HE MET 54 -3.991 11.983 -7.300 1515 2HE MET 54 2HE MET 54 -3.272 12.504 -8.824 1516 3HE MET 54 3HE MET 54 -2.272 12.372 -7.379 1517 H GLY 55 H GLY 55 -7.724 13.091 -3.154 1518 1HA GLY 55 1HA GLY 55 -10.259 13.693 -3.435 1519 2HA GLY 55 2HA GLY 55 -9.956 12.976 -5.005 1520 H LYS 56 H LYS 56 -11.691 12.223 -2.741 1521 HA LYS 56 HA LYS 56 -10.941 9.392 -2.703 1522 1HB LYS 56 2HB LYS 56 -11.804 9.192 -0.378 1523 2HB LYS 56 3HB LYS 56 -10.366 10.198 -0.479 1524 1HG LYS 56 2HG LYS 56 -11.427 11.984 0.311 1525 2HG LYS 56 3HG LYS 56 -12.835 11.719 -0.719 1526 1HD LYS 56 2HD LYS 56 -13.968 10.994 1.051 1527 2HD LYS 56 3HD LYS 56 -12.817 9.667 1.227 1528 1HE LYS 56 2HE LYS 56 -11.377 11.085 2.591 1529 2HE LYS 56 3HE LYS 56 -12.499 12.431 2.393 1530 1HZ LYS 56 HZ1 LYS 56 -14.207 10.932 3.454 1531 2HZ LYS 56 HZ2 LYS 56 -12.925 9.906 3.882 1532 3HZ LYS 56 HZ3 LYS 56 -12.974 11.496 4.473 1533 HA PRO 57 HA PRO 57 -15.086 8.857 -4.046 1534 1HB PRO 57 2HB PRO 57 -15.762 6.709 -2.201 1535 2HB PRO 57 3HB PRO 57 -15.482 6.642 -3.941 1536 1HG PRO 57 2HG PRO 57 -13.765 5.582 -2.105 1537 2HG PRO 57 3HG PRO 57 -13.267 6.152 -3.706 1538 1HD PRO 57 2HD PRO 57 -12.959 7.459 -1.043 1539 2HD PRO 57 3HD PRO 57 -11.877 7.489 -2.450 1540 H ASP 58 H ASP 58 -16.864 9.983 -3.705 1541 HA ASP 58 HA ASP 58 -17.695 10.641 -0.977 1542 1HB ASP 58 2HB ASP 58 -17.631 12.537 -2.466 1543 2HB ASP 58 3HB ASP 58 -18.567 11.679 -3.683 1544 H VAL 59 H VAL 59 -18.611 8.800 -0.233 1545 HA VAL 59 HA VAL 59 -21.018 7.838 -1.618 1546 HB VAL 59 HB VAL 59 -20.135 5.514 -0.620 1547 1HG1 VAL 59 1HG1 VAL 59 -20.379 6.664 -3.146 1548 2HG1 VAL 59 2HG1 VAL 59 -18.778 5.922 -3.123 1549 3HG1 VAL 59 3HG1 VAL 59 -20.207 4.950 -2.763 1550 1HG2 VAL 59 1HG2 VAL 59 -18.044 6.681 0.189 1551 2HG2 VAL 59 2HG2 VAL 59 -17.800 5.227 -0.778 1552 3HG2 VAL 59 3HG2 VAL 59 -17.578 6.817 -1.507 1553 H LYS 60 H LYS 60 -22.549 6.791 -0.261 1554 HA LYS 60 HA LYS 60 -22.785 8.014 2.279 1555 1HB LYS 60 2HB LYS 60 -24.478 5.651 1.678 1556 2HB LYS 60 3HB LYS 60 -24.930 7.227 2.310 1557 1HG LYS 60 2HG LYS 60 -25.796 7.626 0.308 1558 2HG LYS 60 3HG LYS 60 -24.137 7.783 -0.271 1559 1HD LYS 60 2HD LYS 60 -25.365 6.247 -1.687 1560 2HD LYS 60 3HD LYS 60 -24.119 5.374 -0.796 1561 1HE LYS 60 2HE LYS 60 -26.052 4.023 -0.702 1562 2HE LYS 60 3HE LYS 60 -25.918 4.783 0.882 1563 1HZ LYS 60 HZ1 LYS 60 -27.583 6.008 -1.228 1564 2HZ LYS 60 HZ2 LYS 60 -28.191 4.735 -0.287 1565 3HZ LYS 60 HZ3 LYS 60 -27.696 6.177 0.459 1566 H ASN 61 H ASN 61 -21.794 4.819 1.230 1567 HA ASN 61 HA ASN 61 -21.275 4.119 4.037 1568 1HB ASN 61 2HB ASN 61 -21.913 1.741 3.341 1569 2HB ASN 61 3HB ASN 61 -23.219 2.897 3.545 1570 1HD2 ASN 61 1HD2 ASN 61 -23.808 0.729 2.206 1571 2HD2 ASN 61 2HD2 ASN 61 -23.912 1.001 0.504 1572 H TYR 62 H TYR 62 -19.083 4.767 3.601 1573 HA TYR 62 HA TYR 62 -17.586 2.495 2.546 1574 1HB TYR 62 HB2 TYR 62 -16.921 3.603 0.726 1575 2HB TYR 62 HB3 TYR 62 -17.717 5.070 1.268 1576 HD1 TYR 62 HD1 TYR 62 -14.559 3.135 1.767 1577 HD2 TYR 62 HD2 TYR 62 -16.451 6.943 1.719 1578 HE1 TYR 62 HE1 TYR 62 -12.378 4.211 2.049 1579 HE2 TYR 62 HE2 TYR 62 -14.270 8.036 1.994 1580 HH TYR 62 HH TYR 62 -11.266 6.242 1.779 1581 H LYS 63 H LYS 63 -15.810 1.990 3.705 1582 HA LYS 63 HA LYS 63 -15.075 3.820 5.899 1583 1HB LYS 63 2HB LYS 63 -14.516 0.944 6.281 1584 2HB LYS 63 3HB LYS 63 -15.005 2.160 7.446 1585 1HG LYS 63 2HG LYS 63 -17.306 2.006 6.627 1586 2HG LYS 63 3HG LYS 63 -16.805 0.747 5.494 1587 1HD LYS 63 2HD LYS 63 -16.256 -0.744 7.247 1588 2HD LYS 63 3HD LYS 63 -16.343 0.538 8.456 1589 1HE LYS 63 2HE LYS 63 -18.825 0.218 6.978 1590 2HE LYS 63 3HE LYS 63 -18.340 -1.257 7.813 1591 1HZ LYS 63 HZ1 LYS 63 -18.125 0.079 9.864 1592 2HZ LYS 63 HZ2 LYS 63 -18.741 1.424 9.036 1593 3HZ LYS 63 HZ3 LYS 63 -19.707 0.050 9.262 1594 H HIS 64 H HIS 64 -13.011 4.409 5.992 1595 HA HIS 64 HA HIS 64 -11.059 3.118 4.234 1596 1HB HIS 64 2HB HIS 64 -11.203 5.603 4.259 1597 2HB HIS 64 3HB HIS 64 -10.817 5.593 5.976 1598 HD1 HIS 64 HD1 HIS 64 -8.461 6.160 6.406 1599 HD2 HIS 64 HD2 HIS 64 -8.937 4.207 2.762 1600 HE1 HIS 64 HE1 HIS 64 -6.162 6.077 5.372 1601 HE2 HIS 64 HE2 HIS 64 -6.521 5.085 3.090 1602 H MET 65 H MET 65 -10.077 1.374 5.100 1603 HA MET 65 HA MET 65 -9.799 1.210 8.012 1604 1HB MET 65 2HB MET 65 -10.452 -0.629 5.980 1605 2HB MET 65 3HB MET 65 -8.875 -1.112 6.587 1606 1HG MET 65 2HG MET 65 -9.703 -1.822 8.532 1607 2HG MET 65 3HG MET 65 -10.809 -0.458 8.674 1608 1HE MET 65 1HE MET 65 -12.404 -0.327 6.336 1609 2HE MET 65 2HE MET 65 -13.643 -1.575 6.205 1610 3HE MET 65 3HE MET 65 -13.501 -0.624 7.684 1611 H SER 66 H SER 66 -7.956 2.552 8.380 1612 HA SER 66 HA SER 66 -5.566 1.921 6.859 1613 1HB SER 66 2HB SER 66 -5.124 3.995 8.770 1614 2HB SER 66 3HB SER 66 -5.242 4.131 7.013 1615 HG SER 66 HG SER 66 -7.093 4.732 8.962 1616 H ARG 67 H ARG 67 -4.098 0.597 7.591 1617 HA ARG 67 HA ARG 67 -3.171 0.768 10.294 1618 1HB ARG 67 2HB ARG 67 -5.136 -1.089 10.011 1619 2HB ARG 67 3HB ARG 67 -3.724 -2.058 9.609 1620 1HG ARG 67 2HG ARG 67 -3.932 -2.377 11.883 1621 2HG ARG 67 3HG ARG 67 -2.724 -1.097 11.780 1622 1HD ARG 67 2HD ARG 67 -4.897 0.428 11.916 1623 2HD ARG 67 3HD ARG 67 -5.532 -0.999 12.736 1624 HE ARG 67 HE ARG 67 -3.106 0.453 13.602 1625 1HH1 ARG 67 1HH1 ARG 67 -6.060 -1.304 14.326 1626 2HH1 ARG 67 2HH1 ARG 67 -5.848 -1.214 16.048 1627 1HH2 ARG 67 1HH2 ARG 67 -2.832 0.565 15.855 1628 2HH2 ARG 67 2HH2 ARG 67 -4.027 -0.109 16.918 1629 H GLY 68 H GLY 68 -1.923 -2.091 9.762 1630 1HA GLY 68 1HA GLY 68 0.204 -1.123 8.017 1631 2HA GLY 68 2HA GLY 68 0.150 -2.675 8.853 1632 H LYS 69 H LYS 69 -2.358 -3.486 8.174 1633 HA LYS 69 HA LYS 69 -2.801 -3.262 5.355 1634 1HB LYS 69 2HB LYS 69 -1.386 -5.570 6.376 1635 2HB LYS 69 3HB LYS 69 -2.931 -6.048 5.689 1636 1HG LYS 69 2HG LYS 69 -0.510 -5.002 4.373 1637 2HG LYS 69 3HG LYS 69 -1.701 -6.169 3.800 1638 1HD LYS 69 2HD LYS 69 -2.705 -4.593 2.587 1639 2HD LYS 69 3HD LYS 69 -2.934 -3.589 4.021 1640 1HE LYS 69 2HE LYS 69 -0.665 -2.695 3.742 1641 2HE LYS 69 3HE LYS 69 -0.459 -3.684 2.298 1642 1HZ LYS 69 HZ1 LYS 69 -2.807 -2.016 2.249 1643 2HZ LYS 69 HZ2 LYS 69 -1.357 -1.145 2.325 1644 3HZ LYS 69 HZ3 LYS 69 -1.620 -2.246 1.064 1645 H LEU 70 H LEU 70 -4.161 -2.388 7.506 1646 HA LEU 70 HA LEU 70 -6.145 -2.232 8.525 1647 1HB LEU 70 2HB LEU 70 -8.062 -2.598 7.237 1648 2HB LEU 70 3HB LEU 70 -6.780 -2.194 6.116 1649 HG LEU 70 HG LEU 70 -6.989 -5.056 6.413 1650 1HD1 LEU 70 1HD1 LEU 70 -9.498 -3.516 5.896 1651 2HD1 LEU 70 2HD1 LEU 70 -9.225 -5.068 5.106 1652 3HD1 LEU 70 3HD1 LEU 70 -9.254 -4.967 6.868 1653 1HD2 LEU 70 1HD2 LEU 70 -6.023 -3.490 4.568 1654 2HD2 LEU 70 2HD2 LEU 70 -6.778 -5.020 4.121 1655 3HD2 LEU 70 3HD2 LEU 70 -7.680 -3.513 3.956 1656 H GLU 71 H GLU 71 -4.645 -5.039 8.625 1657 HA GLU 71 HA GLU 71 -6.291 -7.083 9.176 1658 1HB GLU 71 2HB GLU 71 -4.157 -6.963 11.180 1659 2HB GLU 71 3HB GLU 71 -4.479 -8.166 9.941 1660 1HG GLU 71 2HG GLU 71 -2.548 -7.397 9.091 1661 2HG GLU 71 3HG GLU 71 -3.596 -6.165 8.393 1662 HA PRO 72 HA PRO 72 -7.118 -6.183 13.780 1663 1HB PRO 72 2HB PRO 72 -6.150 -3.985 15.005 1664 2HB PRO 72 3HB PRO 72 -5.221 -5.481 14.853 1665 1HG PRO 72 2HG PRO 72 -5.055 -2.973 13.247 1666 2HG PRO 72 3HG PRO 72 -3.747 -4.009 13.847 1667 1HD PRO 72 2HD PRO 72 -4.676 -4.075 11.278 1668 2HD PRO 72 3HD PRO 72 -3.931 -5.464 12.091 1669 H LEU 73 H LEU 73 -7.351 -3.683 11.445 1670 HA LEU 73 HA LEU 73 -9.267 -2.127 12.962 1671 1HB LEU 73 2HB LEU 73 -7.457 -1.603 10.880 1672 2HB LEU 73 3HB LEU 73 -9.048 -1.390 10.173 1673 HG LEU 73 HG LEU 73 -7.731 0.598 11.350 1674 1HD1 LEU 73 1HD1 LEU 73 -10.125 0.365 10.273 1675 2HD1 LEU 73 2HD1 LEU 73 -10.639 0.514 11.953 1676 3HD1 LEU 73 3HD1 LEU 73 -9.671 1.788 11.213 1677 1HD2 LEU 73 1HD2 LEU 73 -9.290 -0.668 13.601 1678 2HD2 LEU 73 2HD2 LEU 73 -7.543 -0.429 13.527 1679 3HD2 LEU 73 3HD2 LEU 73 -8.620 0.964 13.625 1680 H LEU 74 H LEU 74 -9.509 -4.927 11.388 1681 HA LEU 74 HA LEU 74 -11.713 -4.500 9.649 1682 1HB LEU 74 2HB LEU 74 -9.936 -6.446 9.871 1683 2HB LEU 74 3HB LEU 74 -11.171 -7.158 10.890 1684 HG LEU 74 HG LEU 74 -12.727 -7.234 9.071 1685 1HD1 LEU 74 1HD1 LEU 74 -11.139 -5.126 8.024 1686 2HD1 LEU 74 2HD1 LEU 74 -11.154 -6.441 6.851 1687 3HD1 LEU 74 3HD1 LEU 74 -12.673 -5.753 7.421 1688 1HD2 LEU 74 1HD2 LEU 74 -10.080 -8.421 8.905 1689 2HD2 LEU 74 2HD2 LEU 74 -11.671 -9.151 8.683 1690 3HD2 LEU 74 3HD2 LEU 74 -10.889 -8.319 7.340 1691 H ALA 75 H ALA 75 -11.488 -6.021 12.886 1692 HA ALA 75 HA ALA 75 -14.309 -6.359 13.104 1693 1HB ALA 75 1HB ALA 75 -12.035 -7.158 14.558 1694 2HB ALA 75 2HB ALA 75 -13.086 -6.300 15.685 1695 3HB ALA 75 3HB ALA 75 -13.706 -7.680 14.778 1696 H LYS 76 H LYS 76 -12.241 -3.703 13.670 1697 HA LYS 76 HA LYS 76 -13.893 -2.435 15.645 1698 1HB LYS 76 2HB LYS 76 -11.723 -1.083 14.064 1699 2HB LYS 76 3HB LYS 76 -12.284 -0.714 15.689 1700 1HG LYS 76 2HG LYS 76 -11.424 -3.342 15.853 1701 2HG LYS 76 3HG LYS 76 -10.237 -2.557 14.811 1702 1HD LYS 76 2HD LYS 76 -9.425 -2.281 17.002 1703 2HD LYS 76 3HD LYS 76 -10.134 -0.724 16.567 1704 1HE LYS 76 2HE LYS 76 -12.249 -2.097 17.676 1705 2HE LYS 76 3HE LYS 76 -10.880 -2.600 18.665 1706 1HZ LYS 76 HZ1 LYS 76 -10.524 0.077 18.429 1707 2HZ LYS 76 HZ2 LYS 76 -12.212 -0.060 18.538 1708 3HZ LYS 76 HZ3 LYS 76 -11.232 -0.709 19.759 1709 H SER 77 H SER 77 -13.622 -2.330 12.174 1710 HA SER 77 HA SER 77 -14.986 0.173 11.892 1711 1HB SER 77 2HB SER 77 -15.206 -0.883 9.445 1712 2HB SER 77 3HB SER 77 -13.696 -0.184 10.036 1713 HG SER 77 HG SER 77 -12.819 -2.097 9.994 1714 H GLY 78 H GLY 78 -15.932 -3.163 12.127 1715 1HA GLY 78 1HA GLY 78 -18.108 -3.863 12.707 1716 2HA GLY 78 2HA GLY 78 -18.733 -2.330 12.116 1717 H LEU 79 H LEU 79 -17.287 -5.379 11.037 1718 HA LEU 79 HA LEU 79 -18.980 -5.234 8.636 1719 1HB LEU 79 2HB LEU 79 -16.155 -6.295 8.761 1720 2HB LEU 79 3HB LEU 79 -17.192 -6.307 7.349 1721 HG LEU 79 HG LEU 79 -16.546 -3.697 8.644 1722 1HD1 LEU 79 1HD1 LEU 79 -14.406 -4.982 8.357 1723 2HD1 LEU 79 2HD1 LEU 79 -14.744 -5.019 6.627 1724 3HD1 LEU 79 3HD1 LEU 79 -14.505 -3.475 7.445 1725 1HD2 LEU 79 1HD2 LEU 79 -17.321 -4.688 5.926 1726 2HD2 LEU 79 2HD2 LEU 79 -18.103 -3.469 6.932 1727 3HD2 LEU 79 3HD2 LEU 79 -16.573 -3.103 6.134 1728 H ASP 80 H ASP 80 -19.866 -7.177 7.944 1729 HA ASP 80 HA ASP 80 -19.300 -9.540 9.594 1730 1HB ASP 80 2HB ASP 80 -21.573 -8.236 9.986 1731 2HB ASP 80 3HB ASP 80 -22.063 -9.100 8.531 1732 HA PRO 81 HA PRO 81 -18.421 -11.323 5.699 1733 1HB PRO 81 2HB PRO 81 -18.688 -13.967 6.340 1734 2HB PRO 81 3HB PRO 81 -17.303 -12.967 6.806 1735 1HG PRO 81 2HG PRO 81 -19.716 -13.729 8.403 1736 2HG PRO 81 3HG PRO 81 -18.012 -13.689 8.897 1737 1HD PRO 81 2HD PRO 81 -19.715 -11.723 9.555 1738 2HD PRO 81 3HD PRO 81 -18.012 -11.391 9.169 1739 H GLU 82 H GLU 82 -21.486 -11.005 6.621 1740 HA GLU 82 HA GLU 82 -22.550 -12.840 4.589 1741 1HB GLU 82 2HB GLU 82 -24.667 -12.667 5.620 1742 2HB GLU 82 3HB GLU 82 -23.526 -12.811 6.948 1743 1HG GLU 82 2HG GLU 82 -24.549 -11.046 7.825 1744 2HG GLU 82 3HG GLU 82 -23.716 -10.092 6.599 1745 H LYS 83 H LYS 83 -21.628 -9.657 5.120 1746 HA LYS 83 HA LYS 83 -23.558 -8.540 3.254 1747 1HB LYS 83 2HB LYS 83 -21.661 -7.446 5.257 1748 2HB LYS 83 3HB LYS 83 -22.025 -6.436 3.865 1749 1HG LYS 83 2HG LYS 83 -24.113 -6.004 4.557 1750 2HG LYS 83 3HG LYS 83 -24.361 -7.639 5.173 1751 1HD LYS 83 2HD LYS 83 -22.579 -6.811 6.964 1752 2HD LYS 83 3HD LYS 83 -23.251 -5.240 6.524 1753 1HE LYS 83 2HE LYS 83 -24.462 -7.479 8.004 1754 2HE LYS 83 3HE LYS 83 -24.735 -5.743 8.149 1755 1HZ LYS 83 HZ1 LYS 83 -25.891 -6.070 5.851 1756 2HZ LYS 83 HZ2 LYS 83 -26.023 -7.690 6.357 1757 3HZ LYS 83 HZ3 LYS 83 -26.718 -6.445 7.282 1758 HA PRO 84 HA PRO 84 -20.613 -8.739 -0.105 1759 1HB PRO 84 2HB PRO 84 -22.299 -6.870 -1.547 1760 2HB PRO 84 3HB PRO 84 -22.036 -8.586 -1.863 1761 1HG PRO 84 2HG PRO 84 -24.405 -7.570 -0.978 1762 2HG PRO 84 3HG PRO 84 -23.863 -9.223 -0.638 1763 1HD PRO 84 2HD PRO 84 -23.770 -6.796 1.114 1764 2HD PRO 84 3HD PRO 84 -24.182 -8.476 1.528 1765 H VAL 85 H VAL 85 -18.806 -7.565 -0.224 1766 HA VAL 85 HA VAL 85 -18.992 -4.648 0.109 1767 HB VAL 85 HB VAL 85 -16.776 -4.800 1.342 1768 1HG1 VAL 85 1HG1 VAL 85 -19.228 -4.599 2.291 1769 2HG1 VAL 85 2HG1 VAL 85 -18.842 -6.176 2.979 1770 3HG1 VAL 85 3HG1 VAL 85 -17.841 -4.776 3.365 1771 1HG2 VAL 85 1HG2 VAL 85 -16.338 -7.168 0.665 1772 2HG2 VAL 85 2HG2 VAL 85 -16.158 -6.857 2.392 1773 3HG2 VAL 85 3HG2 VAL 85 -17.606 -7.663 1.786 1774 H VAL 86 H VAL 86 -17.320 -3.430 -0.908 1775 HA VAL 86 HA VAL 86 -15.724 -4.956 -2.845 1776 HB VAL 86 HB VAL 86 -17.406 -4.001 -4.195 1777 1HG1 VAL 86 1HG1 VAL 86 -17.151 -1.604 -2.432 1778 2HG1 VAL 86 2HG1 VAL 86 -17.836 -1.456 -4.051 1779 3HG1 VAL 86 3HG1 VAL 86 -18.588 -2.528 -2.868 1780 1HG2 VAL 86 1HG2 VAL 86 -15.171 -3.617 -5.092 1781 2HG2 VAL 86 2HG2 VAL 86 -16.270 -2.320 -5.554 1782 3HG2 VAL 86 3HG2 VAL 86 -15.098 -2.062 -4.265 1783 H VAL 87 H VAL 87 -13.627 -4.243 -3.143 1784 HA VAL 87 HA VAL 87 -12.734 -2.186 -1.236 1785 HB VAL 87 HB VAL 87 -10.470 -3.230 -1.475 1786 1HG1 VAL 87 1HG1 VAL 87 -12.441 -3.846 0.214 1787 2HG1 VAL 87 2HG1 VAL 87 -12.222 -5.423 -0.544 1788 3HG1 VAL 87 3HG1 VAL 87 -10.864 -4.636 0.260 1789 1HG2 VAL 87 1HG2 VAL 87 -12.033 -5.114 -3.189 1790 2HG2 VAL 87 2HG2 VAL 87 -10.441 -4.409 -3.462 1791 3HG2 VAL 87 3HG2 VAL 87 -10.641 -5.699 -2.276 1792 H PHE 88 H PHE 88 -11.477 -0.510 -1.905 1793 HA PHE 88 HA PHE 88 -11.295 -0.155 -4.827 1794 1HB PHE 88 2HB PHE 88 -12.987 1.211 -3.493 1795 2HB PHE 88 3HB PHE 88 -11.613 2.028 -2.761 1796 HD1 PHE 88 HD1 PHE 88 -12.307 0.987 -6.284 1797 HD2 PHE 88 HD2 PHE 88 -11.557 4.179 -3.563 1798 HE1 PHE 88 HE1 PHE 88 -12.197 2.560 -8.158 1799 HE2 PHE 88 HE2 PHE 88 -11.452 5.751 -5.440 1800 HZ PHE 88 HZ PHE 88 -11.769 4.941 -7.737 1801 H CYS 89 H CYS 89 -9.444 0.699 -5.725 1802 HA CYS 89 HA CYS 89 -7.353 1.539 -5.937 1803 1HB CYS 89 2HB CYS 89 -7.798 2.085 -3.065 1804 2HB CYS 89 3HB CYS 89 -6.117 1.962 -3.577 1805 H LYS 90 H LYS 90 -7.085 -0.659 -6.718 1806 HA LYS 90 HA LYS 90 -5.743 -2.469 -4.874 1807 1HB LYS 90 2HB LYS 90 -6.359 -4.197 -6.232 1808 2HB LYS 90 3HB LYS 90 -7.630 -3.049 -6.617 1809 1HG LYS 90 2HG LYS 90 -5.161 -3.058 -8.284 1810 2HG LYS 90 3HG LYS 90 -6.348 -4.345 -8.501 1811 1HD LYS 90 2HD LYS 90 -8.062 -2.410 -8.629 1812 2HD LYS 90 3HD LYS 90 -6.651 -1.399 -8.944 1813 1HE LYS 90 2HE LYS 90 -6.882 -3.890 -10.518 1814 2HE LYS 90 3HE LYS 90 -8.049 -2.620 -10.875 1815 1HZ LYS 90 HZ1 LYS 90 -5.356 -1.643 -10.656 1816 2HZ LYS 90 HZ2 LYS 90 -5.541 -2.799 -11.886 1817 3HZ LYS 90 HZ3 LYS 90 -6.497 -1.405 -11.887 1818 H THR 91 H THR 91 -4.955 -0.349 -7.501 1819 HA THR 91 HA THR 91 -2.378 -1.673 -7.895 1820 HB THR 91 HB THR 91 -2.787 0.654 -9.562 1821 HG1 THR 91 HG1 THR 91 -4.869 0.429 -9.883 1822 1HG2 THR 91 1HG2 THR 91 -2.466 -2.307 -10.034 1823 2HG2 THR 91 2HG2 THR 91 -2.604 -1.133 -11.344 1824 3HG2 THR 91 3HG2 THR 91 -1.252 -1.042 -10.215 1825 H ALA 92 H ALA 92 -2.764 -0.238 -5.461 1826 HA ALA 92 HA ALA 92 -0.460 1.511 -5.669 1827 1HB ALA 92 1HB ALA 92 -2.606 2.908 -5.855 1828 2HB ALA 92 2HB ALA 92 -2.840 2.534 -4.147 1829 3HB ALA 92 3HB ALA 92 -1.401 3.409 -4.671 1830 H ALA 93 H ALA 93 -2.698 1.415 -2.974 1831 HA ALA 93 HA ALA 93 -0.700 0.346 -1.196 1832 1HB ALA 93 1HB ALA 93 -3.553 1.195 -0.870 1833 2HB ALA 93 2HB ALA 93 -2.718 0.311 0.407 1834 3HB ALA 93 3HB ALA 93 -2.098 1.871 -0.135 1835 H ARG 94 H ARG 94 -3.242 -0.794 -3.155 1836 HA ARG 94 HA ARG 94 -3.781 -2.860 -3.889 1837 1HB ARG 94 2HB ARG 94 -1.745 -3.790 -1.873 1838 2HB ARG 94 3HB ARG 94 -2.696 -4.899 -2.854 1839 1HG ARG 94 2HG ARG 94 -1.384 -2.802 -4.401 1840 2HG ARG 94 3HG ARG 94 -0.266 -3.857 -3.535 1841 1HD ARG 94 2HD ARG 94 -1.153 -5.796 -4.592 1842 2HD ARG 94 3HD ARG 94 -2.503 -4.885 -5.270 1843 HE ARG 94 HE ARG 94 -0.045 -3.812 -6.169 1844 1HH1 ARG 94 1HH1 ARG 94 -2.156 -6.561 -6.618 1845 2HH1 ARG 94 2HH1 ARG 94 -1.633 -6.872 -8.238 1846 1HH2 ARG 94 1HH2 ARG 94 0.666 -4.222 -8.323 1847 2HH2 ARG 94 2HH2 ARG 94 -0.029 -5.533 -9.211 1848 H ALA 95 H ALA 95 -5.832 -2.353 -3.181 1849 HA ALA 95 HA ALA 95 -6.851 -3.027 -0.612 1850 1HB ALA 95 1HB ALA 95 -8.236 -2.621 -3.261 1851 2HB ALA 95 2HB ALA 95 -9.064 -2.820 -1.719 1852 3HB ALA 95 3HB ALA 95 -8.018 -1.426 -1.983 1853 H ALA 96 H ALA 96 -5.803 -4.878 -3.182 1854 HA ALA 96 HA ALA 96 -7.548 -7.068 -3.209 1855 1HB ALA 96 1HB ALA 96 -5.293 -6.396 -4.574 1856 2HB ALA 96 2HB ALA 96 -4.707 -7.708 -3.551 1857 3HB ALA 96 3HB ALA 96 -6.071 -7.977 -4.636 1858 H LEU 97 H LEU 97 -4.932 -6.174 -1.047 1859 HA LEU 97 HA LEU 97 -4.722 -8.650 0.318 1860 1HB LEU 97 2HB LEU 97 -3.782 -5.882 0.748 1861 2HB LEU 97 3HB LEU 97 -3.976 -6.842 2.207 1862 HG LEU 97 HG LEU 97 -1.682 -6.944 1.407 1863 1HD1 LEU 97 1HD1 LEU 97 -3.393 -9.355 1.488 1864 2HD1 LEU 97 2HD1 LEU 97 -1.746 -9.559 0.890 1865 3HD1 LEU 97 3HD1 LEU 97 -2.023 -8.897 2.501 1866 1HD2 LEU 97 1HD2 LEU 97 -3.007 -7.476 -1.158 1867 2HD2 LEU 97 2HD2 LEU 97 -1.447 -6.729 -0.818 1868 3HD2 LEU 97 3HD2 LEU 97 -1.600 -8.486 -0.825 1869 H ALA 98 H ALA 98 -6.888 -5.938 0.574 1870 HA ALA 98 HA ALA 98 -8.011 -6.725 3.100 1871 1HB ALA 98 1HB ALA 98 -8.023 -4.389 1.853 1872 2HB ALA 98 2HB ALA 98 -9.532 -5.023 1.197 1873 3HB ALA 98 3HB ALA 98 -9.325 -4.865 2.941 1874 H GLY 99 H GLY 99 -9.173 -6.706 -0.241 1875 1HA GLY 99 1HA GLY 99 -11.575 -8.026 0.376 1876 2HA GLY 99 2HA GLY 99 -10.940 -7.754 -1.235 1877 H LYS 100 H LYS 100 -8.668 -9.294 -1.271 1878 HA LYS 100 HA LYS 100 -9.864 -11.788 -1.767 1879 1HB LYS 100 2HB LYS 100 -7.976 -12.291 -2.902 1880 2HB LYS 100 3HB LYS 100 -7.683 -10.571 -2.728 1881 1HG LYS 100 2HG LYS 100 -5.897 -10.887 -1.412 1882 2HG LYS 100 3HG LYS 100 -6.665 -12.195 -0.510 1883 1HD LYS 100 2HD LYS 100 -6.254 -13.228 -3.064 1884 2HD LYS 100 3HD LYS 100 -4.786 -12.320 -2.702 1885 1HE LYS 100 2HE LYS 100 -4.119 -14.127 -1.576 1886 2HE LYS 100 3HE LYS 100 -5.294 -13.654 -0.349 1887 1HZ LYS 100 HZ1 LYS 100 -6.866 -14.992 -2.021 1888 2HZ LYS 100 HZ2 LYS 100 -5.407 -15.817 -2.288 1889 3HZ LYS 100 HZ3 LYS 100 -6.051 -15.724 -0.723 1890 H THR 101 H THR 101 -7.980 -10.607 0.936 1891 HA THR 101 HA THR 101 -7.653 -13.168 2.161 1892 HB THR 101 HB THR 101 -7.575 -10.507 3.575 1893 HG1 THR 101 HG1 THR 101 -5.893 -10.048 2.393 1894 1HG2 THR 101 1HG2 THR 101 -7.379 -12.914 4.680 1895 2HG2 THR 101 2HG2 THR 101 -5.714 -12.761 4.116 1896 3HG2 THR 101 3HG2 THR 101 -6.383 -11.561 5.220 1897 H LEU 102 H LEU 102 -10.049 -10.594 2.320 1898 HA LEU 102 HA LEU 102 -11.469 -11.536 4.566 1899 1HB LEU 102 2HB LEU 102 -11.967 -9.633 2.364 1900 2HB LEU 102 3HB LEU 102 -13.391 -10.285 3.150 1901 HG LEU 102 HG LEU 102 -11.159 -8.727 4.447 1902 1HD1 LEU 102 1HD1 LEU 102 -12.778 -7.392 3.187 1903 2HD1 LEU 102 2HD1 LEU 102 -14.093 -8.121 4.111 1904 3HD1 LEU 102 3HD1 LEU 102 -12.904 -7.103 4.921 1905 1HD2 LEU 102 1HD2 LEU 102 -13.450 -10.259 5.637 1906 2HD2 LEU 102 2HD2 LEU 102 -11.740 -10.326 6.060 1907 3HD2 LEU 102 3HD2 LEU 102 -12.696 -8.904 6.475 1908 H ARG 103 H ARG 103 -11.988 -12.076 1.074 1909 HA ARG 103 HA ARG 103 -14.252 -13.749 1.422 1910 1HB ARG 103 2HB ARG 103 -13.715 -14.550 -0.916 1911 2HB ARG 103 3HB ARG 103 -13.961 -12.820 -0.736 1912 1HG ARG 103 2HG ARG 103 -11.799 -12.320 -1.201 1913 2HG ARG 103 3HG ARG 103 -11.185 -13.834 -0.538 1914 1HD ARG 103 2HD ARG 103 -12.869 -13.913 -2.990 1915 2HD ARG 103 3HD ARG 103 -11.197 -13.375 -3.125 1916 HE ARG 103 HE ARG 103 -10.507 -15.525 -2.269 1917 1HH1 ARG 103 1HH1 ARG 103 -13.819 -15.243 -3.376 1918 2HH1 ARG 103 2HH1 ARG 103 -14.039 -16.956 -3.570 1919 1HH2 ARG 103 1HH2 ARG 103 -10.788 -17.785 -2.520 1920 2HH2 ARG 103 2HH2 ARG 103 -12.330 -18.400 -3.049 1921 H GLU 104 H GLU 104 -10.857 -14.294 1.638 1922 HA GLU 104 HA GLU 104 -10.935 -17.153 1.497 1923 1HB GLU 104 2HB GLU 104 -8.873 -15.157 2.392 1924 2HB GLU 104 3HB GLU 104 -8.624 -16.887 2.594 1925 1HG GLU 104 2HG GLU 104 -9.427 -16.632 -0.037 1926 2HG GLU 104 3HG GLU 104 -8.381 -15.239 0.233 1927 H TYR 105 H TYR 105 -12.070 -15.013 3.754 1928 HA TYR 105 HA TYR 105 -11.701 -16.942 5.944 1929 1HB TYR 105 HB2 TYR 105 -12.417 -14.006 6.054 1930 2HB TYR 105 HB3 TYR 105 -12.416 -15.079 7.453 1931 HD1 TYR 105 HD1 TYR 105 -9.930 -16.668 6.424 1932 HD2 TYR 105 HD2 TYR 105 -10.732 -12.530 6.991 1933 HE1 TYR 105 HE1 TYR 105 -7.528 -16.255 6.722 1934 HE2 TYR 105 HE2 TYR 105 -8.329 -12.105 7.290 1935 HH TYR 105 HH TYR 105 -6.191 -14.057 8.100 1936 H GLY 106 H GLY 106 -13.828 -15.917 3.605 1937 1HA GLY 106 1HA GLY 106 -15.820 -17.236 3.323 1938 2HA GLY 106 2HA GLY 106 -16.029 -17.212 5.068 1939 H PHE 107 H PHE 107 -15.686 -14.848 2.437 1940 HA PHE 107 HA PHE 107 -17.874 -13.309 3.648 1941 1HB PHE 107 2HB PHE 107 -15.406 -12.549 2.273 1942 2HB PHE 107 3HB PHE 107 -16.827 -11.739 1.620 1943 HD1 PHE 107 HD1 PHE 107 -15.275 -12.571 4.904 1944 HD2 PHE 107 HD2 PHE 107 -17.497 -9.768 2.597 1945 HE1 PHE 107 HE1 PHE 107 -15.225 -10.984 6.787 1946 HE2 PHE 107 HE2 PHE 107 -17.448 -8.176 4.475 1947 HZ PHE 107 HZ PHE 107 -16.310 -8.786 6.571 1948 H LYS 108 H LYS 108 -19.701 -12.899 2.503 1949 HA LYS 108 HA LYS 108 -20.562 -14.762 0.662 1950 1HB LYS 108 2HB LYS 108 -21.638 -12.471 1.956 1951 2HB LYS 108 3HB LYS 108 -22.050 -12.358 0.251 1952 1HG LYS 108 2HG LYS 108 -22.888 -14.739 0.438 1953 2HG LYS 108 3HG LYS 108 -22.731 -14.546 2.185 1954 1HD LYS 108 2HD LYS 108 -24.380 -12.902 2.275 1955 2HD LYS 108 3HD LYS 108 -24.255 -12.550 0.552 1956 1HE LYS 108 2HE LYS 108 -24.957 -15.264 0.767 1957 2HE LYS 108 3HE LYS 108 -25.977 -14.393 1.911 1958 1HZ LYS 108 HZ1 LYS 108 -26.197 -12.794 -0.167 1959 2HZ LYS 108 HZ2 LYS 108 -25.894 -14.240 -1.003 1960 3HZ LYS 108 HZ3 LYS 108 -27.216 -14.130 0.056 1961 H THR 109 H THR 109 -20.427 -11.341 -0.276 1962 HA THR 109 HA THR 109 -19.203 -12.180 -2.817 1963 HB THR 109 HB THR 109 -21.291 -10.017 -2.716 1964 HG1 THR 109 HG1 THR 109 -21.739 -12.796 -3.241 1965 1HG2 THR 109 1HG2 THR 109 -19.578 -10.983 -4.700 1966 2HG2 THR 109 2HG2 THR 109 -21.152 -11.678 -5.083 1967 3HG2 THR 109 3HG2 THR 109 -20.973 -9.928 -4.928 1968 H ILE 110 H ILE 110 -17.271 -11.309 -2.833 1969 HA ILE 110 HA ILE 110 -16.976 -8.533 -1.914 1970 HB ILE 110 HB ILE 110 -15.786 -10.420 -0.637 1971 1HG1 ILE 110 2HG1 ILE 110 -13.737 -8.448 -1.454 1972 2HG1 ILE 110 3HG1 ILE 110 -15.266 -7.797 -0.866 1973 1HG2 ILE 110 1HG2 ILE 110 -14.560 -10.726 -3.238 1974 2HG2 ILE 110 2HG2 ILE 110 -13.360 -10.450 -1.975 1975 3HG2 ILE 110 3HG2 ILE 110 -14.503 -11.786 -1.830 1976 1HD1 ILE 110 1HD1 ILE 110 -14.078 -9.948 0.756 1977 2HD1 ILE 110 2HD1 ILE 110 -13.196 -8.420 0.717 1978 3HD1 ILE 110 3HD1 ILE 110 -14.878 -8.453 1.247 1979 H TYR 111 H TYR 111 -16.256 -7.039 -3.315 1980 HA TYR 111 HA TYR 111 -15.378 -7.993 -5.960 1981 1HB TYR 111 HB2 TYR 111 -16.451 -5.227 -5.537 1982 2HB TYR 111 HB3 TYR 111 -16.488 -6.224 -6.984 1983 HD1 TYR 111 HD1 TYR 111 -18.037 -5.781 -3.640 1984 HD2 TYR 111 HD2 TYR 111 -18.393 -7.497 -7.520 1985 HE1 TYR 111 HE1 TYR 111 -20.378 -6.355 -3.161 1986 HE2 TYR 111 HE2 TYR 111 -20.740 -8.075 -7.048 1987 HH TYR 111 HH TYR 111 -22.386 -8.056 -5.561 1988 H ASN 112 H ASN 112 -13.681 -6.950 -6.983 1989 HA ASN 112 HA ASN 112 -12.140 -5.053 -5.331 1990 1HB ASN 112 2HB ASN 112 -11.098 -7.363 -6.045 1991 2HB ASN 112 3HB ASN 112 -10.900 -6.571 -7.605 1992 1HD2 ASN 112 1HD2 ASN 112 -9.217 -7.393 -5.057 1993 2HD2 ASN 112 2HD2 ASN 112 -8.122 -6.055 -4.922 1994 H SER 113 H SER 113 -11.646 -3.121 -6.260 1995 HA SER 113 HA SER 113 -13.249 -2.452 -8.559 1996 1HB SER 113 2HB SER 113 -11.544 -0.756 -6.735 1997 2HB SER 113 3HB SER 113 -12.612 -0.125 -7.993 1998 HG SER 113 HG SER 113 -13.322 -1.573 -5.658 1999 H GLU 114 H GLU 114 -12.491 -2.697 -10.524 2000 HA GLU 114 HA GLU 114 -9.765 -2.850 -11.255 2001 1HB GLU 114 2HB GLU 114 -11.763 -3.714 -12.571 2002 2HB GLU 114 3HB GLU 114 -12.029 -2.055 -13.086 2003 1HG GLU 114 2HG GLU 114 -10.835 -3.001 -14.838 2004 2HG GLU 114 3HG GLU 114 -9.613 -2.119 -13.922 2005 H GLY 115 H GLY 115 -8.409 -1.325 -12.217 2006 1HA GLY 115 1HA GLY 115 -7.684 0.817 -12.814 2007 2HA GLY 115 2HA GLY 115 -9.277 1.442 -12.406 2008 H GLY 116 H GLY 116 -9.474 2.527 -10.574 2009 1HA GLY 116 1HA GLY 116 -8.592 1.989 -8.082 2010 2HA GLY 116 2HA GLY 116 -7.203 2.787 -8.812 2011 H MET 117 H MET 117 -7.588 4.410 -7.100 2012 HA MET 117 HA MET 117 -9.898 5.988 -6.926 2013 1HB MET 117 2HB MET 117 -8.310 6.145 -5.167 2014 2HB MET 117 3HB MET 117 -7.010 6.554 -6.276 2015 1HG MET 117 2HG MET 117 -9.305 8.414 -6.181 2016 2HG MET 117 3HG MET 117 -8.265 8.354 -4.759 2017 1HE MET 117 1HE MET 117 -7.230 10.098 -4.445 2018 2HE MET 117 2HE MET 117 -5.572 10.054 -5.046 2019 3HE MET 117 3HE MET 117 -6.678 11.313 -5.597 2020 H ASP 118 H ASP 118 -7.103 6.181 -9.016 2021 HA ASP 118 HA ASP 118 -7.613 8.709 -10.155 2022 1HB ASP 118 2HB ASP 118 -5.468 7.812 -10.553 2023 2HB ASP 118 3HB ASP 118 -6.121 6.274 -11.105 2024 H LYS 119 H LYS 119 -8.865 5.472 -10.843 2025 HA LYS 119 HA LYS 119 -10.205 6.251 -13.243 2026 1HB LYS 119 2HB LYS 119 -9.902 3.826 -11.629 2027 2HB LYS 119 3HB LYS 119 -11.506 4.002 -12.330 2028 1HG LYS 119 2HG LYS 119 -10.163 2.721 -13.830 2029 2HG LYS 119 3HG LYS 119 -10.437 4.308 -14.552 2030 1HD LYS 119 2HD LYS 119 -8.121 4.687 -13.128 2031 2HD LYS 119 3HD LYS 119 -7.947 3.031 -13.714 2032 1HE LYS 119 2HE LYS 119 -7.057 4.180 -15.481 2033 2HE LYS 119 3HE LYS 119 -8.747 4.103 -15.980 2034 1HZ LYS 119 HZ1 LYS 119 -7.594 6.403 -14.494 2035 2HZ LYS 119 HZ2 LYS 119 -7.664 6.328 -16.187 2036 3HZ LYS 119 HZ3 LYS 119 -9.095 6.318 -15.284 2037 H TRP 120 H TRP 120 -10.996 6.124 -9.822 2038 HA TRP 120 HA TRP 120 -13.788 6.424 -10.000 2039 1HB TRP 120 HB2 TRP 120 -12.275 6.036 -7.916 2040 2HB TRP 120 HB3 TRP 120 -12.161 7.790 -7.870 2041 HD1 TRP 120 HD1 TRP 120 -14.140 9.086 -6.854 2042 HE1 TRP 120 HE1 TRP 120 -16.386 8.446 -5.785 2043 HE3 TRP 120 HE3 TRP 120 -14.200 4.119 -8.034 2044 HZ2 TRP 120 HZ2 TRP 120 -17.951 6.129 -5.440 2045 HZ3 TRP 120 HZ3 TRP 120 -16.104 2.752 -7.276 2046 HH2 TRP 120 HH2 TRP 120 -17.936 3.741 -6.006 2047 H LEU 121 H LEU 121 -11.221 8.892 -9.692 2048 HA LEU 121 HA LEU 121 -12.883 11.137 -10.025 2049 1HB LEU 121 2HB LEU 121 -9.964 10.566 -10.245 2050 2HB LEU 121 3HB LEU 121 -10.558 12.069 -10.920 2051 HG LEU 121 HG LEU 121 -10.926 11.234 -8.033 2052 1HD1 LEU 121 1HD1 LEU 121 -8.906 13.040 -9.341 2053 2HD1 LEU 121 2HD1 LEU 121 -9.240 13.026 -7.610 2054 3HD1 LEU 121 3HD1 LEU 121 -8.601 11.584 -8.396 2055 1HD2 LEU 121 1HD2 LEU 121 -12.651 12.759 -8.868 2056 2HD2 LEU 121 2HD2 LEU 121 -11.591 13.554 -7.701 2057 3HD2 LEU 121 3HD2 LEU 121 -11.398 13.868 -9.428 2058 H GLU 122 H GLU 122 -11.108 9.118 -12.323 2059 HA GLU 122 HA GLU 122 -11.483 10.797 -14.560 2060 1HB GLU 122 2HB GLU 122 -10.106 8.411 -13.986 2061 2HB GLU 122 3HB GLU 122 -11.153 8.059 -15.355 2062 1HG GLU 122 2HG GLU 122 -9.982 10.557 -15.871 2063 2HG GLU 122 3HG GLU 122 -8.693 9.509 -15.282 2064 H GLU 123 H GLU 123 -13.393 8.098 -13.301 2065 HA GLU 123 HA GLU 123 -15.044 7.900 -15.635 2066 1HB GLU 123 2HB GLU 123 -15.518 6.897 -12.821 2067 2HB GLU 123 3HB GLU 123 -16.493 6.473 -14.219 2068 1HG GLU 123 2HG GLU 123 -13.559 5.875 -13.935 2069 2HG GLU 123 3HG GLU 123 -14.858 4.741 -13.571 2070 H GLY 124 H GLY 124 -14.788 10.249 -13.342 2071 1HA GLY 124 1HA GLY 124 -16.068 12.137 -13.002 2072 2HA GLY 124 2HA GLY 124 -17.235 11.500 -14.153 2073 H LEU 125 H LEU 125 -16.236 9.540 -11.507 2074 HA LEU 125 HA LEU 125 -18.920 9.406 -10.501 2075 1HB LEU 125 2HB LEU 125 -16.335 8.210 -9.495 2076 2HB LEU 125 3HB LEU 125 -17.917 7.857 -8.826 2077 HG LEU 125 HG LEU 125 -16.948 7.182 -11.603 2078 1HD1 LEU 125 1HD1 LEU 125 -17.393 5.640 -9.089 2079 2HD1 LEU 125 2HD1 LEU 125 -17.557 4.850 -10.658 2080 3HD1 LEU 125 3HD1 LEU 125 -16.026 5.601 -10.203 2081 1HD2 LEU 125 1HD2 LEU 125 -19.515 7.819 -10.996 2082 2HD2 LEU 125 2HD2 LEU 125 -19.039 6.678 -12.255 2083 3HD2 LEU 125 3HD2 LEU 125 -19.502 6.086 -10.658 2084 HA PRO 126 HA PRO 126 -18.793 12.420 -7.280 2085 1HB PRO 126 2HB PRO 126 -19.733 11.041 -5.100 2086 2HB PRO 126 3HB PRO 126 -20.767 11.671 -6.388 2087 1HG PRO 126 2HG PRO 126 -19.692 8.905 -6.002 2088 2HG PRO 126 3HG PRO 126 -21.321 9.415 -6.489 2089 1HD PRO 126 2HD PRO 126 -19.541 8.530 -8.286 2090 2HD PRO 126 3HD PRO 126 -20.664 9.851 -8.673 2091 H SER 127 H SER 127 -16.752 12.970 -6.783 2092 HA SER 127 HA SER 127 -15.356 11.313 -4.797 2093 1HB SER 127 2HB SER 127 -13.795 12.922 -6.780 2094 2HB SER 127 3HB SER 127 -13.335 11.454 -5.920 2095 HG SER 127 HG SER 127 -15.426 11.375 -7.806 2096 H LEU 128 H LEU 128 -13.920 12.520 -3.394 2097 HA LEU 128 HA LEU 128 -14.785 15.315 -3.113 2098 1HB LEU 128 2HB LEU 128 -13.820 13.319 -1.068 2099 2HB LEU 128 3HB LEU 128 -14.052 15.023 -0.726 2100 HG LEU 128 HG LEU 128 -16.354 13.515 -1.857 2101 1HD1 LEU 128 1HD1 LEU 128 -14.996 12.766 0.582 2102 2HD1 LEU 128 2HD1 LEU 128 -16.649 13.298 0.894 2103 3HD1 LEU 128 3HD1 LEU 128 -16.345 11.987 -0.247 2104 1HD2 LEU 128 1HD2 LEU 128 -15.850 15.911 -0.182 2105 2HD2 LEU 128 2HD2 LEU 128 -16.978 15.676 -1.516 2106 3HD2 LEU 128 3HD2 LEU 128 -17.353 15.026 0.079 2107 H ASP 129 H ASP 129 -13.302 16.436 -4.182 2108 HA ASP 129 HA ASP 129 -10.464 16.048 -3.509 2109 1HB ASP 129 2HB ASP 129 -10.162 16.354 -5.732 2110 2HB ASP 129 3HB ASP 129 -11.852 16.777 -5.956 2111 H ARG 130 H ARG 130 -9.349 17.860 -2.481 2112 HA ARG 130 HA ARG 130 -11.174 19.649 -1.176 2113 1HB ARG 130 2HB ARG 130 -9.100 18.463 -0.167 2114 2HB ARG 130 3HB ARG 130 -8.171 19.709 -0.984 2115 1HG ARG 130 2HG ARG 130 -10.316 20.901 0.496 2116 2HG ARG 130 3HG ARG 130 -9.363 19.839 1.539 2117 1HD ARG 130 2HD ARG 130 -8.091 21.706 1.733 2118 2HD ARG 130 3HD ARG 130 -7.372 21.060 0.258 2119 HE ARG 130 HE ARG 130 -9.013 22.573 -0.926 2120 1HH1 ARG 130 1HH1 ARG 130 -7.676 23.308 2.222 2121 2HH1 ARG 130 2HH1 ARG 130 -7.971 25.018 2.081 2122 1HH2 ARG 130 1HH2 ARG 130 -9.372 24.807 -1.133 2123 2HH2 ARG 130 2HH2 ARG 130 -8.910 25.877 0.159 2124 H SER 131 H SER 131 -11.923 20.984 -2.742 2125 HA SER 131 HA SER 131 -10.891 22.050 -4.930 2126 1HB SER 131 2HB SER 131 -12.286 24.098 -3.341 2127 2HB SER 131 3HB SER 131 -12.700 23.405 -4.912 2128 HG SER 131 HG SER 131 -13.670 21.696 -3.922 2129 H HIS 132 H HIS 132 -9.004 22.905 -5.371 2130 HA HIS 132 HA HIS 132 -7.887 24.882 -3.494 2131 1HB HIS 132 2HB HIS 132 -5.704 24.266 -4.914 2132 2HB HIS 132 3HB HIS 132 -6.166 23.391 -3.465 2133 HD1 HIS 132 HD1 HIS 132 -7.507 21.066 -3.951 2134 HD2 HIS 132 HD2 HIS 132 -5.375 22.705 -7.127 2135 HE1 HIS 132 HE1 HIS 132 -7.132 19.176 -5.564 2136 HE2 HIS 132 HE2 HIS 132 -5.831 20.173 -7.474 2137 H HIS 133 H HIS 133 -8.965 26.619 -4.394 2138 HA HIS 133 HA HIS 133 -8.457 27.201 -7.217 2139 1HB HIS 133 2HB HIS 133 -10.757 27.418 -5.846 2140 2HB HIS 133 3HB HIS 133 -10.118 29.033 -5.569 2141 HD1 HIS 133 HD1 HIS 133 -8.974 29.787 -8.253 2142 HD2 HIS 133 HD2 HIS 133 -12.555 27.705 -7.841 2143 HE1 HIS 133 HE1 HIS 133 -10.267 30.231 -10.365 2144 HE2 HIS 133 HE2 HIS 133 -12.395 28.904 -10.130 2145 H HIS 134 H HIS 134 -7.169 27.908 -4.206 2146 HA HIS 134 HA HIS 134 -6.419 30.635 -4.657 2147 1HB HIS 134 2HB HIS 134 -6.573 29.680 -2.386 2148 2HB HIS 134 3HB HIS 134 -5.244 28.589 -2.755 2149 HD1 HIS 134 HD1 HIS 134 -3.057 29.370 -1.945 2150 HD2 HIS 134 HD2 HIS 134 -5.647 32.540 -2.669 2151 HE1 HIS 134 HE1 HIS 134 -1.804 31.438 -1.255 2152 HE2 HIS 134 HE2 HIS 134 -3.483 33.298 -1.466 2153 H HIS 135 H HIS 135 -5.028 27.504 -5.340 2154 HA HIS 135 HA HIS 135 -2.435 28.496 -6.055 2155 1HB HIS 135 2HB HIS 135 -3.713 25.922 -5.770 2156 2HB HIS 135 3HB HIS 135 -2.811 25.994 -7.281 2157 HD1 HIS 135 HD1 HIS 135 -0.275 27.364 -6.639 2158 HD2 HIS 135 HD2 HIS 135 -2.118 24.788 -3.927 2159 HE1 HIS 135 HE1 HIS 135 1.537 26.611 -5.066 2160 HE2 HIS 135 HE2 HIS 135 0.384 25.143 -3.373 2161 H HIS 136 H HIS 136 -3.490 30.205 -7.478 2162 HA HIS 136 HA HIS 136 -4.284 29.292 -10.115 2163 1HB HIS 136 2HB HIS 136 -4.359 31.694 -10.711 2164 2HB HIS 136 3HB HIS 136 -5.326 31.328 -9.291 2165 HD1 HIS 136 HD1 HIS 136 -4.544 32.348 -7.028 2166 HD2 HIS 136 HD2 HIS 136 -2.206 33.415 -10.296 2167 HE1 HIS 136 HE1 HIS 136 -3.127 34.265 -6.246 2168 HE2 HIS 136 HE2 HIS 136 -1.935 35.062 -8.319 2169 H HIS 137 H HIS 137 -1.497 29.537 -8.463 2170 HA HIS 137 HA HIS 137 0.043 28.980 -10.792 2171 1HB HIS 137 2HB HIS 137 0.200 31.520 -10.547 2172 2HB HIS 137 3HB HIS 137 1.032 31.230 -9.026 2173 HD1 HIS 137 HD1 HIS 137 2.907 32.647 -10.457 2174 HD2 HIS 137 HD2 HIS 137 2.252 28.693 -11.556 2175 HE1 HIS 137 HE1 HIS 137 4.956 31.950 -11.739 2176 HE2 HIS 137 HE2 HIS 137 4.620 29.502 -12.217 Start of MODEL 4 1 1H ALA 1 H1 ALA 1 -24.781 -7.776 17.330 2 2H ALA 1 H2 ALA 1 -24.845 -7.149 18.904 3 3H ALA 1 H3 ALA 1 -25.061 -6.121 17.572 4 HA ALA 1 HA ALA 1 -22.910 -5.663 18.110 5 1HB ALA 1 1HB ALA 1 -23.096 -8.143 19.464 6 2HB ALA 1 2HB ALA 1 -21.668 -8.206 18.431 7 3HB ALA 1 3HB ALA 1 -21.846 -6.907 19.611 8 H ASP 2 H ASP 2 -20.869 -5.965 16.880 9 HA ASP 2 HA ASP 2 -21.466 -7.026 14.212 10 1HB ASP 2 2HB ASP 2 -19.730 -5.636 13.364 11 2HB ASP 2 3HB ASP 2 -20.638 -4.650 14.503 12 H MET 3 H MET 3 -19.564 -8.055 13.056 13 HA MET 3 HA MET 3 -18.536 -10.131 14.839 14 1HB MET 3 2HB MET 3 -19.389 -9.998 12.035 15 2HB MET 3 3HB MET 3 -17.946 -10.967 12.301 16 1HG MET 3 2HG MET 3 -19.482 -11.914 14.276 17 2HG MET 3 3HG MET 3 -20.734 -11.439 13.129 18 1HE MET 3 1HE MET 3 -21.724 -12.809 11.977 19 2HE MET 3 2HE MET 3 -20.916 -13.180 10.453 20 3HE MET 3 3HE MET 3 -21.303 -14.475 11.588 21 H GLY 4 H GLY 4 -17.456 -7.346 13.915 22 1HA GLY 4 1HA GLY 4 -15.134 -7.491 12.505 23 2HA GLY 4 2HA GLY 4 -15.363 -6.349 13.816 24 H GLU 5 H GLU 5 -15.555 -8.715 15.703 25 HA GLU 5 HA GLU 5 -12.771 -8.796 16.393 26 1HB GLU 5 2HB GLU 5 -15.161 -10.230 17.543 27 2HB GLU 5 3HB GLU 5 -13.535 -10.357 18.200 28 1HG GLU 5 2HG GLU 5 -13.997 -8.602 19.456 29 2HG GLU 5 3HG GLU 5 -14.004 -7.627 17.986 30 H LYS 6 H LYS 6 -15.006 -10.990 14.798 31 HA LYS 6 HA LYS 6 -13.583 -13.349 15.163 32 1HB LYS 6 2HB LYS 6 -15.349 -12.662 12.815 33 2HB LYS 6 3HB LYS 6 -14.956 -14.274 13.401 34 1HG LYS 6 2HG LYS 6 -16.079 -12.681 15.513 35 2HG LYS 6 3HG LYS 6 -17.143 -12.693 14.106 36 1HD LYS 6 2HD LYS 6 -16.613 -15.270 14.144 37 2HD LYS 6 3HD LYS 6 -16.259 -14.945 15.844 38 1HE LYS 6 2HE LYS 6 -18.746 -13.735 14.892 39 2HE LYS 6 3HE LYS 6 -18.735 -15.496 14.811 40 1HZ LYS 6 HZ1 LYS 6 -17.947 -15.413 17.196 41 2HZ LYS 6 HZ2 LYS 6 -18.378 -13.776 17.194 42 3HZ LYS 6 HZ3 LYS 6 -19.556 -14.964 16.921 43 H PHE 7 H PHE 7 -13.477 -11.084 12.402 44 HA PHE 7 HA PHE 7 -11.408 -12.723 11.200 45 1HB PHE 7 2HB PHE 7 -11.546 -10.835 9.393 46 2HB PHE 7 3HB PHE 7 -12.807 -12.053 9.511 47 HD1 PHE 7 HD1 PHE 7 -11.959 -8.613 10.652 48 HD2 PHE 7 HD2 PHE 7 -15.018 -11.403 9.661 49 HE1 PHE 7 HE1 PHE 7 -13.638 -6.830 10.830 50 HE2 PHE 7 HE2 PHE 7 -16.705 -9.619 9.842 51 HZ PHE 7 HZ PHE 7 -16.011 -7.328 10.427 52 H ASP 8 H ASP 8 -11.613 -9.823 13.039 53 HA ASP 8 HA ASP 8 -9.377 -8.401 12.241 54 1HB ASP 8 2HB ASP 8 -10.774 -7.398 13.875 55 2HB ASP 8 3HB ASP 8 -10.616 -8.767 14.966 56 H ALA 9 H ALA 9 -9.490 -10.868 14.806 57 HA ALA 9 HA ALA 9 -6.763 -10.941 15.364 58 1HB ALA 9 1HB ALA 9 -9.049 -12.778 15.808 59 2HB ALA 9 2HB ALA 9 -7.420 -13.414 16.035 60 3HB ALA 9 3HB ALA 9 -7.961 -12.021 16.971 61 H THR 10 H THR 10 -8.658 -12.812 13.034 62 HA THR 10 HA THR 10 -6.542 -14.509 12.239 63 HB THR 10 HB THR 10 -8.448 -14.150 10.122 64 HG1 THR 10 HG1 THR 10 -10.257 -14.856 11.624 65 1HG2 THR 10 1HG2 THR 10 -7.402 -16.250 11.875 66 2HG2 THR 10 2HG2 THR 10 -9.079 -16.497 11.387 67 3HG2 THR 10 3HG2 THR 10 -7.820 -16.310 10.165 68 H PHE 11 H PHE 11 -7.858 -11.507 10.827 69 HA PHE 11 HA PHE 11 -6.301 -11.426 8.519 70 1HB PHE 11 2HB PHE 11 -8.255 -9.866 9.448 71 2HB PHE 11 3HB PHE 11 -6.895 -8.871 9.952 72 HD1 PHE 11 HD1 PHE 11 -5.005 -8.936 7.870 73 HD2 PHE 11 HD2 PHE 11 -9.249 -9.028 7.578 74 HE1 PHE 11 HE1 PHE 11 -4.870 -7.981 5.602 75 HE2 PHE 11 HE2 PHE 11 -9.121 -8.075 5.315 76 HZ PHE 11 HZ PHE 11 -6.929 -7.548 4.324 77 H LYS 12 H LYS 12 -5.694 -10.078 11.724 78 HA LYS 12 HA LYS 12 -3.137 -9.009 11.182 79 1HB LYS 12 2HB LYS 12 -4.930 -9.153 13.358 80 2HB LYS 12 3HB LYS 12 -3.415 -9.837 13.914 81 1HG LYS 12 2HG LYS 12 -3.806 -7.110 12.703 82 2HG LYS 12 3HG LYS 12 -3.502 -7.472 14.404 83 1HD LYS 12 2HD LYS 12 -1.312 -8.351 13.854 84 2HD LYS 12 3HD LYS 12 -1.621 -8.108 12.132 85 1HE LYS 12 2HE LYS 12 -2.071 -5.664 13.570 86 2HE LYS 12 3HE LYS 12 -0.468 -6.297 13.947 87 1HZ LYS 12 HZ1 LYS 12 -0.590 -6.623 11.287 88 2HZ LYS 12 HZ2 LYS 12 -1.492 -5.207 11.471 89 3HZ LYS 12 HZ3 LYS 12 0.104 -5.276 12.048 90 H ALA 13 H ALA 13 -4.267 -12.206 11.882 91 HA ALA 13 HA ALA 13 -1.750 -13.282 12.732 92 1HB ALA 13 1HB ALA 13 -3.913 -14.309 13.343 93 2HB ALA 13 2HB ALA 13 -4.150 -14.755 11.651 94 3HB ALA 13 3HB ALA 13 -2.808 -15.444 12.567 95 H GLN 14 H GLN 14 -3.514 -13.126 9.688 96 HA GLN 14 HA GLN 14 -1.625 -14.715 8.236 97 1HB GLN 14 2HB GLN 14 -4.018 -13.095 7.548 98 2HB GLN 14 3HB GLN 14 -2.860 -13.407 6.260 99 1HG GLN 14 2HG GLN 14 -3.086 -15.879 7.263 100 2HG GLN 14 3HG GLN 14 -4.684 -15.250 7.660 101 1HE2 GLN 14 1HE2 GLN 14 -6.142 -14.905 6.066 102 2HE2 GLN 14 2HE2 GLN 14 -5.888 -15.365 4.412 103 H VAL 15 H VAL 15 -2.297 -11.228 8.380 104 HA VAL 15 HA VAL 15 -0.298 -10.458 6.580 105 HB VAL 15 HB VAL 15 -1.826 -9.020 8.710 106 1HG1 VAL 15 1HG1 VAL 15 0.405 -8.050 8.881 107 2HG1 VAL 15 2HG1 VAL 15 0.431 -7.777 7.137 108 3HG1 VAL 15 3HG1 VAL 15 -0.724 -6.909 8.148 109 1HG2 VAL 15 1HG2 VAL 15 -1.661 -9.024 5.726 110 2HG2 VAL 15 2HG2 VAL 15 -3.071 -9.179 6.774 111 3HG2 VAL 15 3HG2 VAL 15 -2.295 -7.610 6.564 112 H LYS 16 H LYS 16 -0.132 -11.011 10.061 113 HA LYS 16 HA LYS 16 2.428 -9.901 10.475 114 1HB LYS 16 2HB LYS 16 0.641 -11.735 11.960 115 2HB LYS 16 3HB LYS 16 2.345 -11.768 12.395 116 1HG LYS 16 2HG LYS 16 2.332 -9.459 12.962 117 2HG LYS 16 3HG LYS 16 0.719 -9.243 12.278 118 1HD LYS 16 2HD LYS 16 -0.191 -9.760 14.235 119 2HD LYS 16 3HD LYS 16 0.608 -11.334 14.202 120 1HE LYS 16 2HE LYS 16 2.511 -9.314 14.870 121 2HE LYS 16 3HE LYS 16 1.105 -9.158 15.923 122 1HZ LYS 16 HZ1 LYS 16 1.347 -11.635 16.293 123 2HZ LYS 16 HZ2 LYS 16 2.876 -11.505 15.571 124 3HZ LYS 16 HZ3 LYS 16 2.534 -10.646 16.995 125 H ALA 17 H ALA 17 1.392 -12.996 9.244 126 HA ALA 17 HA ALA 17 3.844 -14.385 9.535 127 1HB ALA 17 1HB ALA 17 1.283 -14.853 8.308 128 2HB ALA 17 2HB ALA 17 2.588 -15.384 7.247 129 3HB ALA 17 3HB ALA 17 2.475 -16.015 8.890 130 H ALA 18 H ALA 18 2.688 -12.022 7.299 131 HA ALA 18 HA ALA 18 4.655 -12.464 5.268 132 1HB ALA 18 1HB ALA 18 2.516 -10.494 5.782 133 2HB ALA 18 2HB ALA 18 3.865 -9.953 4.781 134 3HB ALA 18 3HB ALA 18 2.927 -11.370 4.305 135 H LYS 19 H LYS 19 4.507 -10.599 8.235 136 HA LYS 19 HA LYS 19 6.942 -9.130 7.690 137 1HB LYS 19 2HB LYS 19 4.950 -9.280 9.874 138 2HB LYS 19 3HB LYS 19 6.602 -8.952 10.377 139 1HG LYS 19 2HG LYS 19 6.695 -6.965 9.094 140 2HG LYS 19 3HG LYS 19 5.195 -7.358 8.252 141 1HD LYS 19 2HD LYS 19 4.545 -5.764 9.827 142 2HD LYS 19 3HD LYS 19 4.109 -7.298 10.581 143 1HE LYS 19 2HE LYS 19 5.148 -6.177 12.316 144 2HE LYS 19 3HE LYS 19 6.465 -7.148 11.659 145 1HZ LYS 19 HZ1 LYS 19 7.100 -5.145 10.340 146 2HZ LYS 19 HZ2 LYS 19 5.969 -4.253 11.226 147 3HZ LYS 19 HZ3 LYS 19 7.291 -4.973 12.013 148 H ALA 20 H ALA 20 5.923 -12.126 8.920 149 HA ALA 20 HA ALA 20 8.337 -12.707 10.411 150 1HB ALA 20 1HB ALA 20 5.779 -13.596 10.623 151 2HB ALA 20 2HB ALA 20 6.552 -14.948 9.795 152 3HB ALA 20 3HB ALA 20 7.182 -14.387 11.345 153 H ASP 21 H ASP 21 7.238 -13.054 7.199 154 HA ASP 21 HA ASP 21 8.663 -15.384 6.479 155 1HB ASP 21 2HB ASP 21 6.722 -14.413 5.214 156 2HB ASP 21 3HB ASP 21 7.803 -13.150 4.633 157 H MET 22 H MET 22 9.649 -12.068 6.806 158 HA MET 22 HA MET 22 12.239 -12.772 5.591 159 1HB MET 22 2HB MET 22 11.120 -9.977 5.750 160 2HB MET 22 3HB MET 22 12.498 -10.536 4.813 161 1HG MET 22 2HG MET 22 11.189 -11.456 3.175 162 2HG MET 22 3HG MET 22 9.814 -11.692 4.255 163 1HE MET 22 1HE MET 22 12.008 -8.534 3.863 164 2HE MET 22 2HE MET 22 11.871 -8.996 2.167 165 3HE MET 22 3HE MET 22 11.087 -7.528 2.744 166 H VAL 23 H VAL 23 13.942 -11.018 6.392 167 HA VAL 23 HA VAL 23 14.078 -11.356 9.264 168 HB VAL 23 HB VAL 23 16.051 -10.005 7.415 169 1HG1 VAL 23 1HG1 VAL 23 15.925 -9.971 10.182 170 2HG1 VAL 23 2HG1 VAL 23 17.100 -11.235 9.821 171 3HG1 VAL 23 3HG1 VAL 23 17.338 -9.605 9.191 172 1HG2 VAL 23 1HG2 VAL 23 15.814 -12.863 8.321 173 2HG2 VAL 23 2HG2 VAL 23 15.869 -12.243 6.672 174 3HG2 VAL 23 3HG2 VAL 23 17.310 -12.181 7.686 175 H MET 24 H MET 24 13.095 -9.954 10.529 176 HA MET 24 HA MET 24 12.366 -7.335 9.617 177 1HB MET 24 2HB MET 24 11.972 -8.840 12.186 178 2HB MET 24 3HB MET 24 11.551 -7.137 12.064 179 1HG MET 24 2HG MET 24 10.490 -8.641 9.847 180 2HG MET 24 3HG MET 24 9.962 -9.306 11.389 181 1HE MET 24 1HE MET 24 9.579 -7.208 8.714 182 2HE MET 24 2HE MET 24 8.138 -6.246 9.053 183 3HE MET 24 3HE MET 24 9.743 -5.569 9.345 184 H LEU 25 H LEU 25 13.946 -5.907 9.387 185 HA LEU 25 HA LEU 25 15.844 -5.539 11.603 186 1HB LEU 25 2HB LEU 25 16.077 -5.365 8.661 187 2HB LEU 25 3HB LEU 25 16.947 -4.149 9.573 188 HG LEU 25 HG LEU 25 17.414 -7.092 9.420 189 1HD1 LEU 25 1HD1 LEU 25 18.675 -4.813 8.477 190 2HD1 LEU 25 2HD1 LEU 25 19.659 -5.325 9.846 191 3HD1 LEU 25 3HD1 LEU 25 19.340 -6.445 8.523 192 1HD2 LEU 25 1HD2 LEU 25 17.490 -5.530 11.879 193 2HD2 LEU 25 2HD2 LEU 25 17.599 -7.274 11.643 194 3HD2 LEU 25 3HD2 LEU 25 19.040 -6.271 11.483 195 H SER 26 H SER 26 16.092 -3.593 12.511 196 HA SER 26 HA SER 26 14.019 -1.630 12.094 197 1HB SER 26 2HB SER 26 16.105 -0.799 13.917 198 2HB SER 26 3HB SER 26 14.418 -1.192 14.265 199 HG SER 26 HG SER 26 15.065 -3.434 14.261 200 HA PRO 27 HA PRO 27 15.620 1.224 9.233 201 1HB PRO 27 2HB PRO 27 15.887 3.256 11.353 202 2HB PRO 27 3HB PRO 27 14.946 3.291 9.862 203 1HG PRO 27 2HG PRO 27 14.044 2.662 12.505 204 2HG PRO 27 3HG PRO 27 13.101 2.697 11.008 205 1HD PRO 27 2HD PRO 27 13.662 0.424 12.470 206 2HD PRO 27 3HD PRO 27 13.215 0.437 10.760 207 H LYS 28 H LYS 28 17.309 1.880 12.357 208 HA LYS 28 HA LYS 28 19.658 2.769 11.135 209 1HB LYS 28 2HB LYS 28 19.134 1.666 13.889 210 2HB LYS 28 3HB LYS 28 20.689 2.325 13.405 211 1HG LYS 28 2HG LYS 28 19.401 4.440 12.786 212 2HG LYS 28 3HG LYS 28 18.067 3.741 13.709 213 1HD LYS 28 2HD LYS 28 20.435 3.500 15.260 214 2HD LYS 28 3HD LYS 28 20.343 5.158 14.663 215 1HE LYS 28 2HE LYS 28 19.227 4.914 16.828 216 2HE LYS 28 3HE LYS 28 18.092 5.375 15.559 217 1HZ LYS 28 HZ1 LYS 28 18.472 2.537 16.281 218 2HZ LYS 28 HZ2 LYS 28 17.431 3.526 17.185 219 3HZ LYS 28 HZ3 LYS 28 17.141 3.280 15.530 220 H ASP 29 H ASP 29 18.720 -0.465 12.201 221 HA ASP 29 HA ASP 29 21.282 -1.653 11.842 222 1HB ASP 29 2HB ASP 29 18.641 -2.528 12.610 223 2HB ASP 29 3HB ASP 29 19.327 -3.649 11.434 224 H ALA 30 H ALA 30 18.522 -1.086 9.810 225 HA ALA 30 HA ALA 30 19.449 -2.633 7.585 226 1HB ALA 30 1HB ALA 30 17.060 -2.024 7.969 227 2HB ALA 30 2HB ALA 30 17.469 -0.361 7.546 228 3HB ALA 30 3HB ALA 30 17.651 -1.647 6.351 229 H TYR 31 H TYR 31 19.438 0.812 8.421 230 HA TYR 31 HA TYR 31 20.689 1.783 6.110 231 1HB TYR 31 HB2 TYR 31 19.552 3.266 7.628 232 2HB TYR 31 HB3 TYR 31 20.635 2.835 8.941 233 HD1 TYR 31 HD1 TYR 31 20.603 4.409 5.575 234 HD2 TYR 31 HD2 TYR 31 22.527 4.146 9.357 235 HE1 TYR 31 HE1 TYR 31 22.041 6.301 4.966 236 HE2 TYR 31 HE2 TYR 31 23.977 6.038 8.757 237 HH TYR 31 HH TYR 31 24.606 7.436 7.149 238 H LYS 32 H LYS 32 21.994 0.331 9.010 239 HA LYS 32 HA LYS 32 24.667 1.107 8.778 240 1HB LYS 32 2HB LYS 32 24.375 0.106 10.794 241 2HB LYS 32 3HB LYS 32 23.163 -1.007 10.184 242 1HG LYS 32 2HG LYS 32 24.751 -2.541 10.562 243 2HG LYS 32 3HG LYS 32 25.374 -2.006 9.001 244 1HD LYS 32 2HD LYS 32 27.037 -0.690 9.986 245 2HD LYS 32 3HD LYS 32 26.223 -0.675 11.554 246 1HE LYS 32 2HE LYS 32 27.328 -2.491 12.201 247 2HE LYS 32 3HE LYS 32 26.786 -3.376 10.775 248 1HZ LYS 32 HZ1 LYS 32 28.775 -1.616 9.943 249 2HZ LYS 32 HZ2 LYS 32 29.348 -2.366 11.352 250 3HZ LYS 32 HZ3 LYS 32 28.854 -3.307 10.028 251 H LEU 33 H LEU 33 23.076 -1.853 7.542 252 HA LEU 33 HA LEU 33 25.439 -2.669 6.146 253 1HB LEU 33 2HB LEU 33 23.622 -4.183 4.957 254 2HB LEU 33 3HB LEU 33 24.245 -4.539 6.555 255 HG LEU 33 HG LEU 33 22.068 -2.927 7.087 256 1HD1 LEU 33 1HD1 LEU 33 21.610 -3.378 4.542 257 2HD1 LEU 33 2HD1 LEU 33 21.039 -4.935 5.143 258 3HD1 LEU 33 3HD1 LEU 33 20.300 -3.441 5.724 259 1HD2 LEU 33 1HD2 LEU 33 22.423 -5.912 7.021 260 2HD2 LEU 33 2HD2 LEU 33 22.591 -4.823 8.398 261 3HD2 LEU 33 3HD2 LEU 33 20.999 -5.129 7.704 262 H LEU 34 H LEU 34 22.700 -0.693 5.401 263 HA LEU 34 HA LEU 34 22.785 -0.814 2.591 264 1HB LEU 34 2HB LEU 34 21.882 1.364 4.470 265 2HB LEU 34 3HB LEU 34 21.714 1.482 2.730 266 HG LEU 34 HG LEU 34 20.444 -0.648 4.447 267 1HD1 LEU 34 1HD1 LEU 34 19.619 1.740 4.718 268 2HD1 LEU 34 2HD1 LEU 34 19.063 1.618 3.050 269 3HD1 LEU 34 3HD1 LEU 34 18.421 0.523 4.275 270 1HD2 LEU 34 1HD2 LEU 34 20.978 -0.563 1.685 271 2HD2 LEU 34 2HD2 LEU 34 19.980 -1.720 2.566 272 3HD2 LEU 34 3HD2 LEU 34 19.249 -0.267 1.884 273 H GLN 35 H GLN 35 24.145 1.622 4.803 274 HA GLN 35 HA GLN 35 25.423 3.000 2.679 275 1HB GLN 35 2HB GLN 35 26.102 4.567 4.279 276 2HB GLN 35 3HB GLN 35 24.574 3.953 4.894 277 1HG GLN 35 2HG GLN 35 25.516 3.153 6.743 278 2HG GLN 35 3HG GLN 35 26.873 2.459 5.856 279 1HE2 GLN 35 1HE2 GLN 35 28.665 3.809 5.355 280 2HE2 GLN 35 2HE2 GLN 35 29.007 5.216 6.306 281 H GLU 36 H GLU 36 26.439 0.368 4.693 282 HA GLU 36 HA GLU 36 29.236 0.907 4.125 283 1HB GLU 36 2HB GLU 36 29.417 0.062 6.184 284 2HB GLU 36 3HB GLU 36 27.754 -0.492 6.163 285 1HG GLU 36 2HG GLU 36 28.767 -2.448 4.730 286 2HG GLU 36 3HG GLU 36 30.256 -1.962 5.538 287 H ASN 37 H ASN 37 26.652 -1.075 2.991 288 HA ASN 37 HA ASN 37 28.510 -2.236 1.033 289 1HB ASN 37 2HB ASN 37 26.086 -3.801 1.863 290 2HB ASN 37 3HB ASN 37 27.559 -4.365 1.091 291 1HD2 ASN 37 1HD2 ASN 37 26.114 -3.341 4.081 292 2HD2 ASN 37 2HD2 ASN 37 27.312 -4.024 5.138 293 HA PRO 38 HA PRO 38 25.287 0.117 -1.188 294 1HB PRO 38 2HB PRO 38 26.815 0.563 -3.397 295 2HB PRO 38 3HB PRO 38 26.874 1.575 -1.949 296 1HG PRO 38 2HG PRO 38 28.713 -0.616 -2.807 297 2HG PRO 38 3HG PRO 38 29.101 0.948 -2.068 298 1HD PRO 38 2HD PRO 38 29.058 -1.371 -0.662 299 2HD PRO 38 3HD PRO 38 28.645 0.196 0.059 300 H ASP 39 H ASP 39 26.299 -2.927 -1.403 301 HA ASP 39 HA ASP 39 25.046 -3.520 -3.984 302 1HB ASP 39 2HB ASP 39 27.088 -4.805 -2.518 303 2HB ASP 39 3HB ASP 39 25.684 -5.864 -2.419 304 H ILE 40 H ILE 40 24.599 -3.568 -0.555 305 HA ILE 40 HA ILE 40 22.041 -4.942 -0.694 306 HB ILE 40 HB ILE 40 23.199 -3.467 1.675 307 1HG1 ILE 40 2HG1 ILE 40 23.492 -6.394 0.953 308 2HG1 ILE 40 3HG1 ILE 40 24.780 -5.196 0.910 309 1HG2 ILE 40 1HG2 ILE 40 20.916 -5.341 1.246 310 2HG2 ILE 40 2HG2 ILE 40 21.735 -5.313 2.809 311 3HG2 ILE 40 3HG2 ILE 40 20.986 -3.844 2.179 312 1HD1 ILE 40 1HD1 ILE 40 23.279 -5.826 3.426 313 2HD1 ILE 40 2HD1 ILE 40 24.695 -6.743 2.913 314 3HD1 ILE 40 3HD1 ILE 40 24.836 -5.017 3.244 315 H THR 41 H THR 41 20.625 -3.754 -1.798 316 HA THR 41 HA THR 41 20.532 -0.867 -1.493 317 HB THR 41 HB THR 41 18.809 -2.601 -3.266 318 HG1 THR 41 HG1 THR 41 21.271 -2.725 -3.453 319 1HG2 THR 41 1HG2 THR 41 18.564 0.039 -2.749 320 2HG2 THR 41 2HG2 THR 41 19.694 0.083 -4.103 321 3HG2 THR 41 3HG2 THR 41 18.125 -0.705 -4.287 322 H LEU 42 H LEU 42 18.687 0.317 -0.814 323 HA LEU 42 HA LEU 42 16.707 -1.272 0.663 324 1HB LEU 42 2HB LEU 42 17.712 0.367 2.097 325 2HB LEU 42 3HB LEU 42 17.507 1.627 0.897 326 HG LEU 42 HG LEU 42 14.948 1.081 1.225 327 1HD1 LEU 42 1HD1 LEU 42 16.214 -0.481 3.278 328 2HD1 LEU 42 2HD1 LEU 42 15.156 0.739 3.988 329 3HD1 LEU 42 3HD1 LEU 42 14.515 -0.408 2.811 330 1HD2 LEU 42 1HD2 LEU 42 16.345 3.176 1.800 331 2HD2 LEU 42 2HD2 LEU 42 14.784 2.949 2.589 332 3HD2 LEU 42 3HD2 LEU 42 16.277 2.573 3.456 333 H ILE 43 H ILE 43 14.727 -1.410 -0.093 334 HA ILE 43 HA ILE 43 13.952 0.372 -2.303 335 HB ILE 43 HB ILE 43 13.344 -2.503 -1.738 336 1HG1 ILE 43 2HG1 ILE 43 13.883 -0.991 -4.299 337 2HG1 ILE 43 3HG1 ILE 43 15.121 -1.783 -3.327 338 1HG2 ILE 43 1HG2 ILE 43 11.357 -0.575 -2.554 339 2HG2 ILE 43 2HG2 ILE 43 11.621 -1.782 -3.813 340 3HG2 ILE 43 3HG2 ILE 43 11.174 -2.290 -2.185 341 1HD1 ILE 43 1HD1 ILE 43 12.809 -3.405 -4.228 342 2HD1 ILE 43 2HD1 ILE 43 14.042 -2.962 -5.411 343 3HD1 ILE 43 3HD1 ILE 43 14.491 -3.872 -3.966 344 H ASP 44 H ASP 44 12.542 1.880 -1.745 345 HA ASP 44 HA ASP 44 10.904 1.402 0.641 346 1HB ASP 44 2HB ASP 44 11.938 3.411 1.061 347 2HB ASP 44 3HB ASP 44 12.041 3.832 -0.639 348 H VAL 45 H VAL 45 8.857 1.004 0.449 349 HA VAL 45 HA VAL 45 7.532 1.680 -2.095 350 HB VAL 45 HB VAL 45 5.790 -0.044 -0.860 351 1HG1 VAL 45 1HG1 VAL 45 7.784 -0.227 -3.029 352 2HG1 VAL 45 2HG1 VAL 45 7.103 -1.748 -2.456 353 3HG1 VAL 45 3HG1 VAL 45 6.040 -0.481 -3.064 354 1HG2 VAL 45 1HG2 VAL 45 8.590 -1.013 -0.288 355 2HG2 VAL 45 2HG2 VAL 45 7.329 -0.657 0.892 356 3HG2 VAL 45 3HG2 VAL 45 7.144 -2.020 -0.213 357 H ARG 46 H ARG 46 6.840 3.675 -1.663 358 HA ARG 46 HA ARG 46 4.735 3.976 0.317 359 1HB ARG 46 2HB ARG 46 7.176 4.620 1.150 360 2HB ARG 46 3HB ARG 46 6.824 6.102 0.275 361 1HG ARG 46 2HG ARG 46 6.255 6.410 2.575 362 2HG ARG 46 3HG ARG 46 4.766 6.359 1.628 363 1HD ARG 46 2HD ARG 46 5.907 3.971 3.067 364 2HD ARG 46 3HD ARG 46 4.723 5.062 3.785 365 HE ARG 46 HE ARG 46 4.240 3.027 1.819 366 1HH1 ARG 46 1HH1 ARG 46 3.089 6.060 3.144 367 2HH1 ARG 46 2HH1 ARG 46 1.463 5.845 2.532 368 1HH2 ARG 46 1HH2 ARG 46 2.098 2.780 1.000 369 2HH2 ARG 46 2HH2 ARG 46 0.922 4.032 1.286 370 H ASP 47 H ASP 47 3.627 6.063 0.080 371 HA ASP 47 HA ASP 47 3.081 6.550 -2.675 372 1HB ASP 47 2HB ASP 47 1.478 6.581 -0.629 373 2HB ASP 47 3HB ASP 47 2.051 8.231 -0.404 374 HA PRO 48 HA PRO 48 5.954 9.850 -3.410 375 1HB PRO 48 2HB PRO 48 4.504 11.177 -5.343 376 2HB PRO 48 3HB PRO 48 5.522 9.765 -5.647 377 1HG PRO 48 2HG PRO 48 2.561 9.920 -5.248 378 2HG PRO 48 3HG PRO 48 3.487 8.947 -6.406 379 1HD PRO 48 2HD PRO 48 2.472 7.868 -4.172 380 2HD PRO 48 3HD PRO 48 4.051 7.358 -4.809 381 H ASP 49 H ASP 49 2.540 10.471 -2.761 382 HA ASP 49 HA ASP 49 2.982 13.258 -2.154 383 1HB ASP 49 2HB ASP 49 0.760 11.909 -2.869 384 2HB ASP 49 3HB ASP 49 0.547 11.930 -1.120 385 H GLU 50 H GLU 50 2.733 10.243 -0.365 386 HA GLU 50 HA GLU 50 2.820 11.393 2.250 387 1HB GLU 50 2HB GLU 50 2.884 8.737 1.073 388 2HB GLU 50 3HB GLU 50 4.070 8.887 2.361 389 1HG GLU 50 2HG GLU 50 1.771 10.046 3.398 390 2HG GLU 50 3HG GLU 50 1.201 8.633 2.512 391 H LEU 51 H LEU 51 5.127 10.415 -0.160 392 HA LEU 51 HA LEU 51 7.505 10.678 1.361 393 1HB LEU 51 2HB LEU 51 6.770 10.051 -1.322 394 2HB LEU 51 3HB LEU 51 7.983 11.317 -1.373 395 HG LEU 51 HG LEU 51 9.459 9.901 0.039 396 1HD1 LEU 51 1HD1 LEU 51 7.195 7.957 -0.289 397 2HD1 LEU 51 2HD1 LEU 51 8.842 7.444 0.082 398 3HD1 LEU 51 3HD1 LEU 51 7.973 8.497 1.198 399 1HD2 LEU 51 1HD2 LEU 51 8.710 9.520 -2.704 400 2HD2 LEU 51 2HD2 LEU 51 10.302 9.418 -1.951 401 3HD2 LEU 51 3HD2 LEU 51 9.257 7.998 -2.000 402 H LYS 52 H LYS 52 5.517 12.911 -0.453 403 HA LYS 52 HA LYS 52 7.387 15.071 -0.394 404 1HB LYS 52 2HB LYS 52 4.748 14.570 -1.463 405 2HB LYS 52 3HB LYS 52 4.804 16.137 -0.668 406 1HG LYS 52 2HG LYS 52 7.131 16.057 -2.170 407 2HG LYS 52 3HG LYS 52 5.913 15.305 -3.203 408 1HD LYS 52 2HD LYS 52 4.610 17.492 -2.111 409 2HD LYS 52 3HD LYS 52 6.240 18.086 -2.432 410 1HE LYS 52 2HE LYS 52 5.435 18.455 -4.499 411 2HE LYS 52 3HE LYS 52 5.741 16.733 -4.719 412 1HZ LYS 52 HZ1 LYS 52 3.187 17.213 -3.531 413 2HZ LYS 52 HZ2 LYS 52 3.337 18.013 -5.019 414 3HZ LYS 52 HZ3 LYS 52 3.583 16.338 -4.928 415 H ALA 53 H ALA 53 4.577 14.133 1.545 416 HA ALA 53 HA ALA 53 4.647 16.501 3.133 417 1HB ALA 53 1HB ALA 53 2.641 15.007 2.598 418 2HB ALA 53 2HB ALA 53 3.221 13.981 3.909 419 3HB ALA 53 3HB ALA 53 2.771 15.656 4.232 420 H MET 54 H MET 54 5.594 13.132 3.748 421 HA MET 54 HA MET 54 6.537 13.939 6.395 422 1HB MET 54 2HB MET 54 5.700 11.386 5.135 423 2HB MET 54 3HB MET 54 6.887 11.291 6.429 424 1HG MET 54 2HG MET 54 4.993 12.990 7.453 425 2HG MET 54 3HG MET 54 4.035 11.827 6.540 426 1HE MET 54 1HE MET 54 6.692 12.535 8.914 427 2HE MET 54 2HE MET 54 6.102 11.709 10.358 428 3HE MET 54 3HE MET 54 7.327 10.944 9.341 429 H GLY 55 H GLY 55 7.780 12.594 3.404 430 1HA GLY 55 1HA GLY 55 10.084 13.241 2.854 431 2HA GLY 55 2HA GLY 55 10.493 12.864 4.522 432 H LYS 56 H LYS 56 12.086 11.679 2.906 433 HA LYS 56 HA LYS 56 11.322 8.867 2.977 434 1HB LYS 56 2HB LYS 56 11.714 8.424 0.709 435 2HB LYS 56 3HB LYS 56 10.813 9.934 0.670 436 1HG LYS 56 2HG LYS 56 13.434 10.769 0.806 437 2HG LYS 56 3HG LYS 56 13.508 9.348 -0.235 438 1HD LYS 56 2HD LYS 56 11.247 10.948 -0.956 439 2HD LYS 56 3HD LYS 56 12.696 11.955 -0.914 440 1HE LYS 56 2HE LYS 56 13.816 10.559 -2.467 441 2HE LYS 56 3HE LYS 56 12.585 9.306 -2.331 442 1HZ LYS 56 HZ1 LYS 56 11.176 11.481 -3.126 443 2HZ LYS 56 HZ2 LYS 56 12.632 11.658 -3.975 444 3HZ LYS 56 HZ3 LYS 56 11.727 10.236 -4.143 445 HA PRO 57 HA PRO 57 15.514 8.392 4.314 446 1HB PRO 57 2HB PRO 57 16.232 6.026 3.125 447 2HB PRO 57 3HB PRO 57 15.260 6.150 4.593 448 1HG PRO 57 2HG PRO 57 14.394 5.671 1.775 449 2HG PRO 57 3HG PRO 57 13.760 4.978 3.278 450 1HD PRO 57 2HD PRO 57 12.506 6.973 1.933 451 2HD PRO 57 3HD PRO 57 12.420 6.801 3.698 452 H ASP 58 H ASP 58 17.463 9.111 3.683 453 HA ASP 58 HA ASP 58 18.012 9.224 0.790 454 1HB ASP 58 2HB ASP 58 17.773 11.447 1.893 455 2HB ASP 58 3HB ASP 58 19.130 11.038 2.939 456 H VAL 59 H VAL 59 18.940 7.144 0.798 457 HA VAL 59 HA VAL 59 21.567 7.030 2.121 458 HB VAL 59 HB VAL 59 21.511 4.634 2.074 459 1HG1 VAL 59 1HG1 VAL 59 20.234 5.940 3.857 460 2HG1 VAL 59 2HG1 VAL 59 18.774 5.394 3.032 461 3HG1 VAL 59 3HG1 VAL 59 19.899 4.215 3.709 462 1HG2 VAL 59 1HG2 VAL 59 20.144 4.622 -0.123 463 2HG2 VAL 59 2HG2 VAL 59 19.935 3.299 1.024 464 3HG2 VAL 59 3HG2 VAL 59 18.740 4.595 0.944 465 H LYS 60 H LYS 60 23.213 5.818 0.885 466 HA LYS 60 HA LYS 60 23.728 7.032 -1.536 467 1HB LYS 60 2HB LYS 60 25.228 4.759 -1.743 468 2HB LYS 60 3HB LYS 60 25.700 6.217 -0.885 469 1HG LYS 60 2HG LYS 60 25.459 5.262 1.148 470 2HG LYS 60 3HG LYS 60 24.096 4.263 0.640 471 1HD LYS 60 2HD LYS 60 26.021 2.884 1.138 472 2HD LYS 60 3HD LYS 60 25.610 2.804 -0.575 473 1HE LYS 60 2HE LYS 60 27.945 2.990 -0.537 474 2HE LYS 60 3HE LYS 60 27.372 4.613 -0.917 475 1HZ LYS 60 HZ1 LYS 60 27.608 5.091 1.529 476 2HZ LYS 60 HZ2 LYS 60 28.422 3.609 1.668 477 3HZ LYS 60 HZ3 LYS 60 29.060 4.839 0.690 478 H ASN 61 H ASN 61 22.338 3.832 -0.966 479 HA ASN 61 HA ASN 61 21.662 3.725 -3.825 480 1HB ASN 61 2HB ASN 61 21.718 1.224 -3.565 481 2HB ASN 61 3HB ASN 61 23.279 2.017 -3.404 482 1HD2 ASN 61 1HD2 ASN 61 23.153 -0.437 -2.485 483 2HD2 ASN 61 2HD2 ASN 61 23.080 -0.489 -0.754 484 H TYR 62 H TYR 62 19.732 4.890 -3.202 485 HA TYR 62 HA TYR 62 17.707 3.133 -1.991 486 1HB TYR 62 HB2 TYR 62 17.803 4.938 -0.526 487 2HB TYR 62 HB3 TYR 62 18.169 6.087 -1.804 488 HD1 TYR 62 HD1 TYR 62 15.351 3.673 -1.304 489 HD2 TYR 62 HD2 TYR 62 16.546 7.717 -1.854 490 HE1 TYR 62 HE1 TYR 62 12.996 4.352 -1.379 491 HE2 TYR 62 HE2 TYR 62 14.189 8.411 -1.917 492 HH TYR 62 HH TYR 62 11.586 6.234 -1.124 493 H LYS 63 H LYS 63 16.101 2.489 -3.286 494 HA LYS 63 HA LYS 63 15.499 4.117 -5.663 495 1HB LYS 63 2HB LYS 63 15.103 1.130 -5.594 496 2HB LYS 63 3HB LYS 63 15.150 2.201 -6.985 497 1HG LYS 63 2HG LYS 63 17.577 2.615 -6.366 498 2HG LYS 63 3HG LYS 63 17.430 1.191 -5.337 499 1HD LYS 63 2HD LYS 63 16.408 0.169 -7.566 500 2HD LYS 63 3HD LYS 63 17.412 1.421 -8.301 501 1HE LYS 63 2HE LYS 63 18.830 -0.015 -6.232 502 2HE LYS 63 3HE LYS 63 18.222 -1.106 -7.473 503 1HZ LYS 63 HZ1 LYS 63 19.509 1.316 -8.439 504 2HZ LYS 63 HZ2 LYS 63 20.526 0.202 -7.658 505 3HZ LYS 63 HZ3 LYS 63 19.620 -0.278 -9.007 506 H HIS 64 H HIS 64 13.478 4.886 -5.664 507 HA HIS 64 HA HIS 64 11.558 3.804 -3.751 508 1HB HIS 64 2HB HIS 64 11.891 6.223 -3.718 509 2HB HIS 64 3HB HIS 64 11.513 6.325 -5.433 510 HD1 HIS 64 HD1 HIS 64 9.399 7.672 -5.420 511 HD2 HIS 64 HD2 HIS 64 9.291 4.507 -2.716 512 HE1 HIS 64 HE1 HIS 64 7.033 7.586 -4.557 513 HE2 HIS 64 HE2 HIS 64 6.979 5.634 -2.977 514 H MET 65 H MET 65 9.769 2.710 -4.326 515 HA MET 65 HA MET 65 9.287 2.384 -7.207 516 1HB MET 65 2HB MET 65 9.043 0.559 -4.880 517 2HB MET 65 3HB MET 65 7.881 0.368 -6.188 518 1HG MET 65 2HG MET 65 9.502 -1.054 -6.898 519 2HG MET 65 3HG MET 65 10.045 0.430 -7.679 520 1HE MET 65 1HE MET 65 12.073 0.146 -8.158 521 2HE MET 65 2HE MET 65 13.422 0.472 -7.069 522 3HE MET 65 3HE MET 65 12.968 -1.193 -7.437 523 H SER 66 H SER 66 7.159 2.409 -7.987 524 HA SER 66 HA SER 66 5.614 4.455 -6.745 525 1HB SER 66 2HB SER 66 4.284 3.287 -9.005 526 2HB SER 66 3HB SER 66 5.063 4.864 -8.865 527 HG SER 66 HG SER 66 6.378 3.998 -10.284 528 H ARG 67 H ARG 67 5.455 2.488 -4.959 529 HA ARG 67 HA ARG 67 4.006 1.412 -3.590 530 1HB ARG 67 2HB ARG 67 1.657 2.555 -5.033 531 2HB ARG 67 3HB ARG 67 1.932 2.382 -3.309 532 1HG ARG 67 2HG ARG 67 3.294 4.289 -3.224 533 2HG ARG 67 3HG ARG 67 3.491 4.323 -4.978 534 1HD ARG 67 2HD ARG 67 0.769 4.583 -3.772 535 2HD ARG 67 3HD ARG 67 1.845 5.979 -3.823 536 HE ARG 67 HE ARG 67 1.613 4.692 -6.367 537 1HH1 ARG 67 1HH1 ARG 67 0.061 6.962 -4.191 538 2HH1 ARG 67 2HH1 ARG 67 -0.831 7.760 -5.460 539 1HH2 ARG 67 1HH2 ARG 67 0.463 5.752 -8.041 540 2HH2 ARG 67 2HH2 ARG 67 -0.588 7.078 -7.638 541 H GLY 68 H GLY 68 1.843 1.451 -6.359 542 1HA GLY 68 1HA GLY 68 1.517 -1.458 -6.139 543 2HA GLY 68 2HA GLY 68 0.369 -0.353 -6.889 544 H LYS 69 H LYS 69 3.192 0.768 -7.795 545 HA LYS 69 HA LYS 69 3.351 -0.914 -10.195 546 1HB LYS 69 2HB LYS 69 2.641 1.690 -10.205 547 2HB LYS 69 3HB LYS 69 4.388 1.872 -10.262 548 1HG LYS 69 2HG LYS 69 3.780 -0.080 -12.167 549 2HG LYS 69 3HG LYS 69 2.561 1.182 -12.360 550 1HD LYS 69 2HD LYS 69 5.448 1.917 -12.083 551 2HD LYS 69 3HD LYS 69 4.825 1.356 -13.638 552 1HE LYS 69 2HE LYS 69 2.951 3.210 -12.814 553 2HE LYS 69 3HE LYS 69 4.481 3.915 -12.297 554 1HZ LYS 69 HZ1 LYS 69 4.050 2.889 -15.041 555 2HZ LYS 69 HZ2 LYS 69 3.719 4.495 -14.603 556 3HZ LYS 69 HZ3 LYS 69 5.300 3.892 -14.485 557 H LEU 70 H LEU 70 4.702 -1.248 -7.587 558 HA LEU 70 HA LEU 70 7.424 -0.470 -7.842 559 1HB LEU 70 2HB LEU 70 7.268 -1.151 -5.707 560 2HB LEU 70 3HB LEU 70 5.745 -1.953 -6.018 561 HG LEU 70 HG LEU 70 7.732 -3.671 -7.051 562 1HD1 LEU 70 1HD1 LEU 70 9.025 -2.049 -5.293 563 2HD1 LEU 70 2HD1 LEU 70 8.488 -3.357 -4.241 564 3HD1 LEU 70 3HD1 LEU 70 9.481 -3.713 -5.653 565 1HD2 LEU 70 1HD2 LEU 70 5.470 -3.931 -5.667 566 2HD2 LEU 70 2HD2 LEU 70 6.683 -5.208 -5.763 567 3HD2 LEU 70 3HD2 LEU 70 6.625 -4.152 -4.352 568 H GLU 71 H GLU 71 5.479 -3.247 -8.576 569 HA GLU 71 HA GLU 71 7.352 -5.085 -9.399 570 1HB GLU 71 2HB GLU 71 4.706 -4.656 -10.795 571 2HB GLU 71 3HB GLU 71 5.632 -6.150 -10.736 572 1HG GLU 71 2HG GLU 71 4.096 -6.583 -9.125 573 2HG GLU 71 3HG GLU 71 5.347 -5.825 -8.141 574 HA PRO 72 HA PRO 72 7.530 -3.509 -13.924 575 1HB PRO 72 2HB PRO 72 6.195 -0.904 -13.990 576 2HB PRO 72 3HB PRO 72 5.950 -2.312 -15.024 577 1HG PRO 72 2HG PRO 72 4.106 -1.533 -13.229 578 2HG PRO 72 3HG PRO 72 4.379 -3.243 -13.613 579 1HD PRO 72 2HD PRO 72 5.362 -1.647 -11.272 580 2HD PRO 72 3HD PRO 72 4.669 -3.284 -11.306 581 H LEU 73 H LEU 73 7.854 -1.332 -11.240 582 HA LEU 73 HA LEU 73 9.772 0.355 -12.629 583 1HB LEU 73 2HB LEU 73 8.090 0.631 -10.355 584 2HB LEU 73 3HB LEU 73 9.744 0.850 -9.821 585 HG LEU 73 HG LEU 73 8.385 2.916 -10.562 586 1HD1 LEU 73 1HD1 LEU 73 11.196 2.209 -11.129 587 2HD1 LEU 73 2HD1 LEU 73 10.574 3.680 -11.880 588 3HD1 LEU 73 3HD1 LEU 73 10.523 3.497 -10.126 589 1HD2 LEU 73 1HD2 LEU 73 9.148 1.751 -13.235 590 2HD2 LEU 73 2HD2 LEU 73 7.522 2.091 -12.643 591 3HD2 LEU 73 3HD2 LEU 73 8.633 3.418 -12.978 592 H LEU 74 H LEU 74 9.807 -2.500 -10.805 593 HA LEU 74 HA LEU 74 12.207 -2.345 -9.392 594 1HB LEU 74 2HB LEU 74 10.290 -4.258 -9.839 595 2HB LEU 74 3HB LEU 74 11.675 -4.934 -10.674 596 HG LEU 74 HG LEU 74 12.987 -4.690 -8.562 597 1HD1 LEU 74 1HD1 LEU 74 11.032 -3.018 -7.759 598 2HD1 LEU 74 2HD1 LEU 74 10.522 -4.510 -6.973 599 3HD1 LEU 74 3HD1 LEU 74 12.128 -3.853 -6.657 600 1HD2 LEU 74 1HD2 LEU 74 10.958 -6.573 -9.236 601 2HD2 LEU 74 2HD2 LEU 74 12.474 -6.837 -8.372 602 3HD2 LEU 74 3HD2 LEU 74 11.018 -6.393 -7.482 603 H ALA 75 H ALA 75 11.612 -3.608 -12.641 604 HA ALA 75 HA ALA 75 14.328 -4.091 -13.264 605 1HB ALA 75 1HB ALA 75 11.850 -3.831 -14.942 606 2HB ALA 75 2HB ALA 75 13.432 -4.218 -15.623 607 3HB ALA 75 3HB ALA 75 12.687 -5.304 -14.447 608 H LYS 76 H LYS 76 12.274 -1.305 -13.546 609 HA LYS 76 HA LYS 76 13.875 0.084 -15.445 610 1HB LYS 76 2HB LYS 76 11.784 1.177 -13.557 611 2HB LYS 76 3HB LYS 76 12.432 1.999 -14.970 612 1HG LYS 76 2HG LYS 76 11.518 -0.437 -15.941 613 2HG LYS 76 3HG LYS 76 10.297 0.070 -14.771 614 1HD LYS 76 2HD LYS 76 9.586 1.040 -16.773 615 2HD LYS 76 3HD LYS 76 10.420 2.354 -15.941 616 1HE LYS 76 2HE LYS 76 12.488 1.380 -17.284 617 2HE LYS 76 3HE LYS 76 11.206 0.831 -18.364 618 1HZ LYS 76 HZ1 LYS 76 11.400 3.637 -17.438 619 2HZ LYS 76 HZ2 LYS 76 12.192 3.089 -18.836 620 3HZ LYS 76 HZ3 LYS 76 10.498 3.020 -18.736 621 H SER 77 H SER 77 13.793 -0.099 -11.969 622 HA SER 77 HA SER 77 15.489 2.194 -11.590 623 1HB SER 77 2HB SER 77 14.785 0.008 -9.618 624 2HB SER 77 3HB SER 77 15.469 1.590 -9.240 625 HG SER 77 HG SER 77 12.895 0.992 -10.265 626 H GLY 78 H GLY 78 15.882 -1.315 -11.723 627 1HA GLY 78 1HA GLY 78 17.902 -2.189 -12.693 628 2HA GLY 78 2HA GLY 78 18.778 -0.853 -11.960 629 H LEU 79 H LEU 79 17.327 -3.975 -11.431 630 HA LEU 79 HA LEU 79 18.867 -4.172 -8.940 631 1HB LEU 79 2HB LEU 79 15.974 -4.826 -9.368 632 2HB LEU 79 3HB LEU 79 16.903 -5.648 -8.127 633 HG LEU 79 HG LEU 79 17.166 -2.736 -8.035 634 1HD1 LEU 79 1HD1 LEU 79 14.751 -3.234 -8.816 635 2HD1 LEU 79 2HD1 LEU 79 14.517 -3.799 -7.161 636 3HD1 LEU 79 3HD1 LEU 79 15.015 -2.134 -7.463 637 1HD2 LEU 79 1HD2 LEU 79 17.393 -4.955 -6.326 638 2HD2 LEU 79 2HD2 LEU 79 17.673 -3.257 -5.942 639 3HD2 LEU 79 3HD2 LEU 79 16.078 -3.966 -5.691 640 H ASP 80 H ASP 80 19.648 -6.230 -8.422 641 HA ASP 80 HA ASP 80 19.288 -8.324 -10.436 642 1HB ASP 80 2HB ASP 80 21.378 -7.984 -11.197 643 2HB ASP 80 3HB ASP 80 21.668 -6.755 -9.978 644 HA PRO 81 HA PRO 81 18.290 -10.730 -6.947 645 1HB PRO 81 2HB PRO 81 19.415 -13.038 -8.440 646 2HB PRO 81 3HB PRO 81 17.787 -12.795 -7.785 647 1HG PRO 81 2HG PRO 81 18.230 -12.597 -10.399 648 2HG PRO 81 3HG PRO 81 17.119 -11.483 -9.579 649 1HD PRO 81 2HD PRO 81 19.933 -11.027 -10.490 650 2HD PRO 81 3HD PRO 81 18.531 -9.940 -10.574 651 H GLU 82 H GLU 82 21.524 -10.284 -7.746 652 HA GLU 82 HA GLU 82 22.464 -12.022 -5.576 653 1HB GLU 82 2HB GLU 82 23.725 -10.771 -7.939 654 2HB GLU 82 3HB GLU 82 24.697 -10.819 -6.476 655 1HG GLU 82 2HG GLU 82 23.402 -13.203 -7.771 656 2HG GLU 82 3HG GLU 82 25.099 -12.745 -7.930 657 H LYS 83 H LYS 83 21.287 -8.974 -6.078 658 HA LYS 83 HA LYS 83 22.991 -7.684 -4.088 659 1HB LYS 83 2HB LYS 83 20.596 -6.502 -5.493 660 2HB LYS 83 3HB LYS 83 21.873 -5.643 -4.645 661 1HG LYS 83 2HG LYS 83 23.116 -7.161 -6.663 662 2HG LYS 83 3HG LYS 83 21.712 -6.379 -7.390 663 1HD LYS 83 2HD LYS 83 22.518 -4.264 -6.998 664 2HD LYS 83 3HD LYS 83 23.501 -4.779 -5.625 665 1HE LYS 83 2HE LYS 83 24.065 -5.021 -8.556 666 2HE LYS 83 3HE LYS 83 25.075 -4.337 -7.283 667 1HZ LYS 83 HZ1 LYS 83 25.332 -6.609 -6.385 668 2HZ LYS 83 HZ2 LYS 83 24.479 -7.212 -7.727 669 3HZ LYS 83 HZ3 LYS 83 25.971 -6.435 -7.950 670 HA PRO 84 HA PRO 84 20.004 -8.913 -0.938 671 1HB PRO 84 2HB PRO 84 21.722 -7.233 0.762 672 2HB PRO 84 3HB PRO 84 21.325 -8.947 0.924 673 1HG PRO 84 2HG PRO 84 23.777 -8.131 0.188 674 2HG PRO 84 3HG PRO 84 23.051 -9.613 -0.461 675 1HD PRO 84 2HD PRO 84 23.270 -6.900 -1.719 676 2HD PRO 84 3HD PRO 84 23.536 -8.505 -2.445 677 H VAL 85 H VAL 85 18.249 -7.791 -0.155 678 HA VAL 85 HA VAL 85 18.329 -4.862 -0.342 679 HB VAL 85 HB VAL 85 15.897 -5.122 -1.282 680 1HG1 VAL 85 1HG1 VAL 85 18.263 -4.411 -2.373 681 2HG1 VAL 85 2HG1 VAL 85 17.819 -5.764 -3.412 682 3HG1 VAL 85 3HG1 VAL 85 16.728 -4.388 -3.240 683 1HG2 VAL 85 1HG2 VAL 85 17.124 -7.791 -1.806 684 2HG2 VAL 85 2HG2 VAL 85 15.475 -7.387 -1.330 685 3HG2 VAL 85 3HG2 VAL 85 16.013 -7.094 -2.983 686 H VAL 86 H VAL 86 16.937 -3.756 0.970 687 HA VAL 86 HA VAL 86 15.301 -5.361 2.807 688 HB VAL 86 HB VAL 86 16.995 -4.559 4.231 689 1HG1 VAL 86 1HG1 VAL 86 16.869 -2.060 2.606 690 2HG1 VAL 86 2HG1 VAL 86 17.535 -2.031 4.237 691 3HG1 VAL 86 3HG1 VAL 86 18.258 -3.070 3.009 692 1HG2 VAL 86 1HG2 VAL 86 14.388 -3.501 4.473 693 2HG2 VAL 86 2HG2 VAL 86 15.556 -3.833 5.752 694 3HG2 VAL 86 3HG2 VAL 86 15.513 -2.243 4.990 695 H VAL 87 H VAL 87 13.244 -4.558 3.177 696 HA VAL 87 HA VAL 87 12.420 -2.495 1.263 697 HB VAL 87 HB VAL 87 10.084 -3.401 1.729 698 1HG1 VAL 87 1HG1 VAL 87 12.266 -4.697 0.228 699 2HG1 VAL 87 2HG1 VAL 87 10.804 -5.658 0.452 700 3HG1 VAL 87 3HG1 VAL 87 10.712 -4.080 -0.330 701 1HG2 VAL 87 1HG2 VAL 87 10.670 -4.575 3.826 702 2HG2 VAL 87 2HG2 VAL 87 9.890 -5.624 2.642 703 3HG2 VAL 87 3HG2 VAL 87 11.635 -5.715 2.886 704 H PHE 88 H PHE 88 11.734 -0.594 1.915 705 HA PHE 88 HA PHE 88 11.099 -0.227 4.768 706 1HB PHE 88 2HB PHE 88 13.151 0.965 3.595 707 2HB PHE 88 3HB PHE 88 11.904 2.064 3.017 708 HD1 PHE 88 HD1 PHE 88 12.725 0.385 6.274 709 HD2 PHE 88 HD2 PHE 88 11.739 3.989 4.228 710 HE1 PHE 88 HE1 PHE 88 12.764 1.603 8.398 711 HE2 PHE 88 HE2 PHE 88 11.778 5.201 6.348 712 HZ PHE 88 HZ PHE 88 12.289 4.013 8.441 713 H CYS 89 H CYS 89 9.386 1.200 5.274 714 HA CYS 89 HA CYS 89 7.683 2.441 3.412 715 1HB CYS 89 2HB CYS 89 5.973 0.902 3.003 716 2HB CYS 89 3HB CYS 89 7.435 -0.059 2.824 717 H LYS 90 H LYS 90 5.221 2.187 4.477 718 HA LYS 90 HA LYS 90 5.410 2.479 7.374 719 1HB LYS 90 2HB LYS 90 5.588 4.737 6.008 720 2HB LYS 90 3HB LYS 90 3.850 4.530 5.841 721 1HG LYS 90 2HG LYS 90 3.461 4.838 8.087 722 2HG LYS 90 3HG LYS 90 5.101 4.370 8.542 723 1HD LYS 90 2HD LYS 90 5.562 6.546 8.681 724 2HD LYS 90 3HD LYS 90 5.458 6.586 6.920 725 1HE LYS 90 2HE LYS 90 2.823 6.732 7.711 726 2HE LYS 90 3HE LYS 90 3.662 7.696 8.927 727 1HZ LYS 90 HZ1 LYS 90 4.712 8.372 6.435 728 2HZ LYS 90 HZ2 LYS 90 3.024 8.384 6.277 729 3HZ LYS 90 HZ3 LYS 90 3.775 9.335 7.464 730 H THR 91 H THR 91 4.415 0.284 6.385 731 HA THR 91 HA THR 91 1.657 0.240 7.021 732 HB THR 91 HB THR 91 2.325 0.961 4.304 733 HG1 THR 91 HG1 THR 91 0.738 1.961 5.574 734 1HG2 THR 91 1HG2 THR 91 2.020 -1.598 4.086 735 2HG2 THR 91 2HG2 THR 91 0.317 -1.263 4.405 736 3HG2 THR 91 3HG2 THR 91 1.112 -0.543 3.005 737 H ALA 92 H ALA 92 4.525 -1.250 5.853 738 HA ALA 92 HA ALA 92 5.392 -3.316 6.125 739 1HB ALA 92 1HB ALA 92 2.893 -3.641 7.711 740 2HB ALA 92 2HB ALA 92 3.861 -5.063 7.319 741 3HB ALA 92 3HB ALA 92 4.578 -3.729 8.224 742 H ALA 93 H ALA 93 2.030 -3.370 5.071 743 HA ALA 93 HA ALA 93 1.915 -5.840 3.908 744 1HB ALA 93 1HB ALA 93 0.315 -3.546 3.980 745 2HB ALA 93 2HB ALA 93 0.443 -4.009 2.283 746 3HB ALA 93 3HB ALA 93 -0.143 -5.172 3.473 747 H ARG 94 H ARG 94 2.702 -2.824 2.120 748 HA ARG 94 HA ARG 94 3.213 -4.308 -0.260 749 1HB ARG 94 2HB ARG 94 2.443 -1.855 -0.060 750 2HB ARG 94 3HB ARG 94 4.147 -1.485 0.168 751 1HG ARG 94 2HG ARG 94 3.739 -1.167 -2.123 752 2HG ARG 94 3HG ARG 94 4.567 -2.721 -2.008 753 1HD ARG 94 2HD ARG 94 1.685 -3.001 -1.810 754 2HD ARG 94 3HD ARG 94 2.165 -2.205 -3.306 755 HE ARG 94 HE ARG 94 2.916 -4.916 -2.463 756 1HH1 ARG 94 1HH1 ARG 94 2.915 -2.419 -4.919 757 2HH1 ARG 94 2HH1 ARG 94 3.330 -3.510 -6.216 758 1HH2 ARG 94 1HH2 ARG 94 3.441 -6.355 -4.184 759 2HH2 ARG 94 2HH2 ARG 94 3.610 -5.732 -5.791 760 H ALA 95 H ALA 95 5.125 -3.385 2.441 761 HA ALA 95 HA ALA 95 7.693 -3.610 1.214 762 1HB ALA 95 1HB ALA 95 7.296 -2.498 3.406 763 2HB ALA 95 2HB ALA 95 6.971 -4.083 4.105 764 3HB ALA 95 3HB ALA 95 8.568 -3.719 3.454 765 H ALA 96 H ALA 96 5.738 -5.790 3.224 766 HA ALA 96 HA ALA 96 7.321 -8.088 2.937 767 1HB ALA 96 1HB ALA 96 5.193 -7.513 4.429 768 2HB ALA 96 2HB ALA 96 4.384 -8.411 3.142 769 3HB ALA 96 3HB ALA 96 5.679 -9.171 4.069 770 H LEU 97 H LEU 97 4.759 -6.745 0.914 771 HA LEU 97 HA LEU 97 4.523 -9.007 -0.789 772 1HB LEU 97 2HB LEU 97 3.486 -6.283 -0.737 773 2HB LEU 97 3HB LEU 97 3.847 -6.834 -2.366 774 HG LEU 97 HG LEU 97 1.479 -7.206 -1.574 775 1HD1 LEU 97 1HD1 LEU 97 3.265 -8.969 -2.983 776 2HD1 LEU 97 2HD1 LEU 97 1.974 -9.876 -2.198 777 3HD1 LEU 97 3HD1 LEU 97 1.581 -8.572 -3.315 778 1HD2 LEU 97 1HD2 LEU 97 2.719 -8.292 0.652 779 2HD2 LEU 97 2HD2 LEU 97 1.006 -8.403 0.243 780 3HD2 LEU 97 3HD2 LEU 97 2.114 -9.693 -0.231 781 H ALA 98 H ALA 98 6.589 -6.144 -0.837 782 HA ALA 98 HA ALA 98 7.662 -6.697 -3.434 783 1HB ALA 98 1HB ALA 98 7.600 -4.466 -2.070 784 2HB ALA 98 2HB ALA 98 9.127 -5.057 -1.416 785 3HB ALA 98 3HB ALA 98 8.948 -4.810 -3.153 786 H GLY 99 H GLY 99 8.819 -7.120 -0.112 787 1HA GLY 99 1HA GLY 99 11.308 -8.248 -0.855 788 2HA GLY 99 2HA GLY 99 10.585 -8.311 0.743 789 H LYS 100 H LYS 100 8.392 -9.834 0.475 790 HA LYS 100 HA LYS 100 9.514 -12.387 0.444 791 1HB LYS 100 2HB LYS 100 7.545 -13.101 1.317 792 2HB LYS 100 3HB LYS 100 7.280 -11.375 1.516 793 1HG LYS 100 2HG LYS 100 5.397 -11.602 0.381 794 2HG LYS 100 3HG LYS 100 6.356 -11.977 -1.053 795 1HD LYS 100 2HD LYS 100 6.390 -14.380 0.130 796 2HD LYS 100 3HD LYS 100 4.856 -13.775 0.759 797 1HE LYS 100 2HE LYS 100 4.143 -13.279 -1.548 798 2HE LYS 100 3HE LYS 100 5.651 -13.970 -2.141 799 1HZ LYS 100 HZ1 LYS 100 4.308 -15.758 -0.378 800 2HZ LYS 100 HZ2 LYS 100 3.310 -15.313 -1.675 801 3HZ LYS 100 HZ3 LYS 100 4.830 -16.007 -1.972 802 H THR 101 H THR 101 7.900 -10.611 -2.087 803 HA THR 101 HA THR 101 7.576 -12.862 -3.827 804 HB THR 101 HB THR 101 7.603 -9.914 -4.513 805 HG1 THR 101 HG1 THR 101 5.797 -9.981 -3.410 806 1HG2 THR 101 1HG2 THR 101 7.802 -11.883 -6.304 807 2HG2 THR 101 2HG2 THR 101 6.052 -11.898 -6.075 808 3HG2 THR 101 3HG2 THR 101 6.861 -10.419 -6.598 809 H LEU 102 H LEU 102 10.035 -10.374 -3.339 810 HA LEU 102 HA LEU 102 11.618 -10.989 -5.595 811 1HB LEU 102 2HB LEU 102 12.081 -9.568 -3.012 812 2HB LEU 102 3HB LEU 102 13.468 -9.997 -3.996 813 HG LEU 102 HG LEU 102 11.172 -8.205 -4.776 814 1HD1 LEU 102 1HD1 LEU 102 14.087 -7.761 -4.216 815 2HD1 LEU 102 2HD1 LEU 102 13.100 -6.600 -5.103 816 3HD1 LEU 102 3HD1 LEU 102 12.694 -7.012 -3.436 817 1HD2 LEU 102 1HD2 LEU 102 12.603 -9.879 -6.462 818 2HD2 LEU 102 2HD2 LEU 102 11.655 -8.467 -6.928 819 3HD2 LEU 102 3HD2 LEU 102 13.386 -8.307 -6.627 820 H ARG 103 H ARG 103 11.768 -12.123 -2.220 821 HA ARG 103 HA ARG 103 14.002 -13.832 -2.625 822 1HB ARG 103 2HB ARG 103 13.383 -14.871 -0.491 823 2HB ARG 103 3HB ARG 103 13.351 -13.119 -0.378 824 1HG ARG 103 2HG ARG 103 11.305 -13.260 0.454 825 2HG ARG 103 3HG ARG 103 10.756 -13.899 -1.093 826 1HD ARG 103 2HD ARG 103 10.108 -15.623 0.196 827 2HD ARG 103 3HD ARG 103 11.775 -16.129 -0.055 828 HE ARG 103 HE ARG 103 10.653 -14.918 2.381 829 1HH1 ARG 103 1HH1 ARG 103 13.258 -16.609 0.728 830 2HH1 ARG 103 2HH1 ARG 103 14.188 -16.845 2.180 831 1HH2 ARG 103 1HH2 ARG 103 11.889 -15.227 4.280 832 2HH2 ARG 103 2HH2 ARG 103 13.416 -16.065 4.196 833 H GLU 104 H GLU 104 10.631 -14.110 -3.279 834 HA GLU 104 HA GLU 104 10.520 -16.950 -3.542 835 1HB GLU 104 2HB GLU 104 8.702 -14.734 -3.730 836 2HB GLU 104 3HB GLU 104 8.498 -15.786 -5.124 837 1HG GLU 104 2HG GLU 104 8.462 -17.683 -3.349 838 2HG GLU 104 3HG GLU 104 8.080 -16.373 -2.232 839 H TYR 105 H TYR 105 11.976 -14.580 -5.425 840 HA TYR 105 HA TYR 105 11.721 -16.214 -7.861 841 1HB TYR 105 HB2 TYR 105 12.577 -13.333 -7.532 842 2HB TYR 105 HB3 TYR 105 12.649 -14.216 -9.054 843 HD1 TYR 105 HD1 TYR 105 10.054 -15.767 -8.730 844 HD2 TYR 105 HD2 TYR 105 11.001 -11.660 -8.120 845 HE1 TYR 105 HE1 TYR 105 7.706 -15.167 -9.158 846 HE2 TYR 105 HE2 TYR 105 8.654 -11.058 -8.538 847 HH TYR 105 HH TYR 105 6.561 -12.659 -10.020 848 H GLY 106 H GLY 106 13.829 -15.295 -5.350 849 1HA GLY 106 1HA GLY 106 15.732 -16.807 -5.062 850 2HA GLY 106 2HA GLY 106 16.043 -16.620 -6.781 851 H PHE 107 H PHE 107 15.513 -14.364 -4.060 852 HA PHE 107 HA PHE 107 17.795 -12.806 -5.014 853 1HB PHE 107 2HB PHE 107 15.344 -12.185 -3.567 854 2HB PHE 107 3HB PHE 107 16.767 -11.491 -2.795 855 HD1 PHE 107 HD1 PHE 107 15.235 -11.843 -6.179 856 HD2 PHE 107 HD2 PHE 107 17.504 -9.431 -3.505 857 HE1 PHE 107 HE1 PHE 107 15.235 -10.016 -7.831 858 HE2 PHE 107 HE2 PHE 107 17.508 -7.602 -5.153 859 HZ PHE 107 HZ PHE 107 16.374 -7.895 -7.319 860 H LYS 108 H LYS 108 19.235 -11.896 -3.235 861 HA LYS 108 HA LYS 108 20.365 -14.133 -1.868 862 1HB LYS 108 2HB LYS 108 21.357 -11.793 -2.899 863 2HB LYS 108 3HB LYS 108 21.413 -11.482 -1.170 864 1HG LYS 108 2HG LYS 108 22.713 -13.536 -0.852 865 2HG LYS 108 3HG LYS 108 22.676 -13.814 -2.595 866 1HD LYS 108 2HD LYS 108 23.835 -11.665 -2.933 867 2HD LYS 108 3HD LYS 108 23.920 -11.455 -1.184 868 1HE LYS 108 2HE LYS 108 25.619 -12.910 -0.970 869 2HE LYS 108 3HE LYS 108 24.933 -14.026 -2.149 870 1HZ LYS 108 HZ1 LYS 108 26.261 -11.495 -2.931 871 2HZ LYS 108 HZ2 LYS 108 27.095 -12.962 -2.777 872 3HZ LYS 108 HZ3 LYS 108 25.859 -12.813 -3.922 873 H THR 109 H THR 109 20.471 -11.128 -0.162 874 HA THR 109 HA THR 109 19.054 -12.387 2.081 875 HB THR 109 HB THR 109 20.632 -9.940 2.575 876 HG1 THR 109 HG1 THR 109 22.559 -10.765 2.079 877 1HG2 THR 109 1HG2 THR 109 19.573 -11.303 4.354 878 2HG2 THR 109 2HG2 THR 109 20.612 -12.655 3.898 879 3HG2 THR 109 3HG2 THR 109 21.322 -11.175 4.544 880 H ILE 110 H ILE 110 17.088 -11.630 2.553 881 HA ILE 110 HA ILE 110 16.452 -8.904 1.646 882 HB ILE 110 HB ILE 110 15.424 -10.834 0.356 883 1HG1 ILE 110 2HG1 ILE 110 13.067 -9.387 1.210 884 2HG1 ILE 110 3HG1 ILE 110 14.455 -8.315 1.035 885 1HG2 ILE 110 1HG2 ILE 110 14.337 -11.398 3.002 886 2HG2 ILE 110 2HG2 ILE 110 13.119 -11.351 1.728 887 3HG2 ILE 110 3HG2 ILE 110 14.498 -12.442 1.590 888 1HD1 ILE 110 1HD1 ILE 110 13.657 -10.270 -1.092 889 2HD1 ILE 110 2HD1 ILE 110 13.004 -8.634 -1.002 890 3HD1 ILE 110 3HD1 ILE 110 14.734 -8.880 -1.225 891 H TYR 111 H TYR 111 15.750 -7.501 3.100 892 HA TYR 111 HA TYR 111 14.902 -8.537 5.727 893 1HB TYR 111 HB2 TYR 111 16.061 -5.790 5.426 894 2HB TYR 111 HB3 TYR 111 16.081 -6.859 6.821 895 HD1 TYR 111 HD1 TYR 111 17.568 -6.391 3.443 896 HD2 TYR 111 HD2 TYR 111 17.989 -8.130 7.308 897 HE1 TYR 111 HE1 TYR 111 19.876 -7.025 2.895 898 HE2 TYR 111 HE2 TYR 111 20.302 -8.775 6.764 899 HH TYR 111 HH TYR 111 21.984 -8.573 5.289 900 H ASN 112 H ASN 112 13.242 -7.468 6.801 901 HA ASN 112 HA ASN 112 11.700 -5.527 5.196 902 1HB ASN 112 2HB ASN 112 10.714 -7.912 5.670 903 2HB ASN 112 3HB ASN 112 10.450 -7.288 7.294 904 1HD2 ASN 112 1HD2 ASN 112 8.648 -8.089 5.018 905 2HD2 ASN 112 2HD2 ASN 112 7.558 -6.744 4.857 906 H SER 113 H SER 113 10.908 -3.725 6.314 907 HA SER 113 HA SER 113 12.541 -3.010 8.533 908 1HB SER 113 2HB SER 113 12.240 -1.148 7.252 909 2HB SER 113 3HB SER 113 10.632 -1.642 6.726 910 HG SER 113 HG SER 113 9.772 -0.860 8.598 911 H GLU 114 H GLU 114 12.121 -2.948 10.608 912 HA GLU 114 HA GLU 114 9.442 -3.708 11.540 913 1HB GLU 114 2HB GLU 114 11.237 -5.112 12.380 914 2HB GLU 114 3HB GLU 114 12.126 -3.706 12.938 915 1HG GLU 114 2HG GLU 114 11.121 -4.821 14.803 916 2HG GLU 114 3HG GLU 114 10.360 -3.251 14.575 917 H GLY 115 H GLY 115 10.987 -1.019 10.759 918 1HA GLY 115 1HA GLY 115 9.971 0.537 13.046 919 2HA GLY 115 2HA GLY 115 11.176 1.107 11.901 920 H GLY 116 H GLY 116 10.537 1.903 9.917 921 1HA GLY 116 1HA GLY 116 8.409 1.920 8.408 922 2HA GLY 116 2HA GLY 116 7.724 2.708 9.825 923 H MET 117 H MET 117 7.856 3.948 7.311 924 HA MET 117 HA MET 117 10.100 5.499 6.812 925 1HB MET 117 2HB MET 117 8.514 5.473 5.107 926 2HB MET 117 3HB MET 117 7.188 5.844 6.198 927 1HG MET 117 2HG MET 117 8.952 8.033 6.304 928 2HG MET 117 3HG MET 117 8.763 7.610 4.603 929 1HE MET 117 1HE MET 117 7.178 8.092 3.244 930 2HE MET 117 2HE MET 117 5.553 8.726 3.520 931 3HE MET 117 3HE MET 117 6.953 9.785 3.685 932 H ASP 118 H ASP 118 7.346 6.186 8.917 933 HA ASP 118 HA ASP 118 8.203 8.793 9.662 934 1HB ASP 118 2HB ASP 118 6.488 8.681 11.359 935 2HB ASP 118 3HB ASP 118 5.851 7.968 9.881 936 H LYS 119 H LYS 119 8.971 5.560 10.720 937 HA LYS 119 HA LYS 119 10.173 6.300 13.204 938 1HB LYS 119 2HB LYS 119 9.853 3.863 11.585 939 2HB LYS 119 3HB LYS 119 11.342 3.930 12.520 940 1HG LYS 119 2HG LYS 119 9.916 2.904 14.002 941 2HG LYS 119 3HG LYS 119 9.740 4.595 14.477 942 1HD LYS 119 2HD LYS 119 7.811 4.554 12.690 943 2HD LYS 119 3HD LYS 119 7.839 2.821 13.018 944 1HE LYS 119 2HE LYS 119 6.385 3.383 14.649 945 2HE LYS 119 3HE LYS 119 7.859 3.773 15.535 946 1HZ LYS 119 HZ1 LYS 119 6.452 5.783 13.876 947 2HZ LYS 119 HZ2 LYS 119 6.041 5.514 15.502 948 3HZ LYS 119 HZ3 LYS 119 7.604 6.039 15.100 949 H TRP 120 H TRP 120 11.211 6.008 9.879 950 HA TRP 120 HA TRP 120 13.999 6.049 10.223 951 1HB TRP 120 HB2 TRP 120 12.633 5.718 8.076 952 2HB TRP 120 HB3 TRP 120 12.529 7.471 8.004 953 HD1 TRP 120 HD1 TRP 120 14.601 8.767 7.139 954 HE1 TRP 120 HE1 TRP 120 16.863 8.076 6.127 955 HE3 TRP 120 HE3 TRP 120 14.455 3.776 8.216 956 HZ2 TRP 120 HZ2 TRP 120 18.377 5.710 5.809 957 HZ3 TRP 120 HZ3 TRP 120 16.351 2.365 7.510 958 HH2 TRP 120 HH2 TRP 120 18.265 3.313 6.332 959 H LEU 121 H LEU 121 11.634 8.680 9.902 960 HA LEU 121 HA LEU 121 13.464 10.809 10.285 961 1HB LEU 121 2HB LEU 121 10.557 10.431 10.135 962 2HB LEU 121 3HB LEU 121 11.045 11.742 11.188 963 HG LEU 121 HG LEU 121 11.375 11.488 8.217 964 1HD1 LEU 121 1HD1 LEU 121 9.476 12.680 9.517 965 2HD1 LEU 121 2HD1 LEU 121 10.687 13.935 9.786 966 3HD1 LEU 121 3HD1 LEU 121 10.232 13.486 8.143 967 1HD2 LEU 121 1HD2 LEU 121 13.347 12.564 10.055 968 2HD2 LEU 121 2HD2 LEU 121 13.447 12.315 8.311 969 3HD2 LEU 121 3HD2 LEU 121 12.732 13.796 8.951 970 H GLU 122 H GLU 122 11.470 8.859 12.451 971 HA GLU 122 HA GLU 122 11.828 10.418 14.770 972 1HB GLU 122 2HB GLU 122 11.028 7.560 14.309 973 2HB GLU 122 3HB GLU 122 11.245 8.182 15.940 974 1HG GLU 122 2HG GLU 122 9.606 9.995 15.347 975 2HG GLU 122 3HG GLU 122 9.282 9.105 13.863 976 H GLU 123 H GLU 123 13.722 7.750 13.415 977 HA GLU 123 HA GLU 123 15.453 7.642 15.729 978 1HB GLU 123 2HB GLU 123 15.823 6.285 13.051 979 2HB GLU 123 3HB GLU 123 16.621 5.875 14.564 980 1HG GLU 123 2HG GLU 123 14.099 5.588 15.354 981 2HG GLU 123 3HG GLU 123 13.876 5.272 13.637 982 H GLY 124 H GLY 124 15.151 9.864 13.446 983 1HA GLY 124 1HA GLY 124 16.472 11.646 12.874 984 2HA GLY 124 2HA GLY 124 17.658 11.030 14.010 985 H LEU 125 H LEU 125 16.546 9.128 11.305 986 HA LEU 125 HA LEU 125 19.269 8.987 10.346 987 1HB LEU 125 2HB LEU 125 16.728 7.558 9.587 988 2HB LEU 125 3HB LEU 125 18.237 7.318 8.725 989 HG LEU 125 HG LEU 125 17.788 6.753 11.657 990 1HD1 LEU 125 1HD1 LEU 125 17.240 5.223 9.302 991 2HD1 LEU 125 2HD1 LEU 125 18.509 4.443 10.247 992 3HD1 LEU 125 3HD1 LEU 125 16.954 4.816 10.995 993 1HD2 LEU 125 1HD2 LEU 125 20.119 7.485 10.809 994 2HD2 LEU 125 2HD2 LEU 125 19.990 6.032 11.802 995 3HD2 LEU 125 3HD2 LEU 125 20.163 5.893 10.051 996 HA PRO 126 HA PRO 126 19.248 11.814 7.006 997 1HB PRO 126 2HB PRO 126 20.047 10.240 4.870 998 2HB PRO 126 3HB PRO 126 21.138 10.944 6.069 999 1HG PRO 126 2HG PRO 126 19.941 8.192 5.974 1000 2HG PRO 126 3HG PRO 126 21.617 8.671 6.335 1001 1HD PRO 126 2HD PRO 126 19.982 8.041 8.316 1002 2HD PRO 126 3HD PRO 126 21.047 9.459 8.475 1003 H SER 127 H SER 127 17.422 12.609 6.188 1004 HA SER 127 HA SER 127 15.827 10.899 4.403 1005 1HB SER 127 2HB SER 127 14.560 12.844 6.331 1006 2HB SER 127 3HB SER 127 13.784 11.558 5.406 1007 HG SER 127 HG SER 127 15.744 11.078 7.402 1008 H LEU 128 H LEU 128 14.458 12.069 2.915 1009 HA LEU 128 HA LEU 128 15.398 14.800 2.334 1010 1HB LEU 128 2HB LEU 128 14.221 12.846 0.357 1011 2HB LEU 128 3HB LEU 128 14.906 14.418 0.003 1012 HG LEU 128 HG LEU 128 16.803 12.625 1.306 1013 1HD1 LEU 128 1HD1 LEU 128 15.176 11.618 -0.885 1014 2HD1 LEU 128 2HD1 LEU 128 16.901 11.609 -1.248 1015 3HD1 LEU 128 3HD1 LEU 128 16.295 10.766 0.177 1016 1HD2 LEU 128 1HD2 LEU 128 17.230 14.833 0.138 1017 2HD2 LEU 128 2HD2 LEU 128 18.284 13.494 -0.318 1018 3HD2 LEU 128 3HD2 LEU 128 16.959 13.976 -1.379 1019 H ASP 129 H ASP 129 13.894 16.159 3.010 1020 HA ASP 129 HA ASP 129 11.110 15.713 2.236 1021 1HB ASP 129 2HB ASP 129 10.219 16.103 4.403 1022 2HB ASP 129 3HB ASP 129 11.509 14.929 4.648 1023 H ARG 130 H ARG 130 9.895 17.732 2.036 1024 HA ARG 130 HA ARG 130 11.664 19.922 1.441 1025 1HB ARG 130 2HB ARG 130 8.909 19.117 0.759 1026 2HB ARG 130 3HB ARG 130 9.158 20.851 0.917 1027 1HG ARG 130 2HG ARG 130 11.098 19.300 -0.709 1028 2HG ARG 130 3HG ARG 130 9.492 19.602 -1.377 1029 1HD ARG 130 2HD ARG 130 9.800 21.890 -1.424 1030 2HD ARG 130 3HD ARG 130 11.047 21.852 -0.179 1031 HE ARG 130 HE ARG 130 11.667 20.610 -2.750 1032 1HH1 ARG 130 1HH1 ARG 130 12.066 23.341 -0.580 1033 2HH1 ARG 130 2HH1 ARG 130 13.475 23.944 -1.404 1034 1HH2 ARG 130 1HH2 ARG 130 13.515 21.417 -3.833 1035 2HH2 ARG 130 2HH2 ARG 130 14.286 22.858 -3.250 1036 H SER 131 H SER 131 12.178 20.106 3.791 1037 HA SER 131 HA SER 131 10.286 21.144 5.623 1038 1HB SER 131 2HB SER 131 13.117 21.896 5.989 1039 2HB SER 131 3HB SER 131 12.010 21.086 7.098 1040 HG SER 131 HG SER 131 12.290 19.170 5.775 1041 H HIS 132 H HIS 132 12.203 22.531 3.088 1042 HA HIS 132 HA HIS 132 11.351 25.224 3.930 1043 1HB HIS 132 2HB HIS 132 13.886 24.329 3.139 1044 2HB HIS 132 3HB HIS 132 13.265 25.226 1.756 1045 HD1 HIS 132 HD1 HIS 132 14.770 27.248 2.024 1046 HD2 HIS 132 HD2 HIS 132 12.558 26.375 5.438 1047 HE1 HIS 132 HE1 HIS 132 15.082 29.218 3.559 1048 HE2 HIS 132 HE2 HIS 132 13.931 28.552 5.703 1049 H HIS 133 H HIS 133 9.578 25.835 2.941 1050 HA HIS 133 HA HIS 133 8.951 24.861 0.253 1051 1HB HIS 133 2HB HIS 133 7.315 25.051 2.334 1052 2HB HIS 133 3HB HIS 133 7.156 26.713 1.775 1053 HD1 HIS 133 HD1 HIS 133 6.487 23.165 0.693 1054 HD2 HIS 133 HD2 HIS 133 5.574 27.058 -0.460 1055 HE1 HIS 133 HE1 HIS 133 4.727 22.950 -1.095 1056 HE2 HIS 133 HE2 HIS 133 4.036 25.319 -1.608 1057 H HIS 134 H HIS 134 10.888 26.200 -0.405 1058 HA HIS 134 HA HIS 134 10.657 29.038 -0.323 1059 1HB HIS 134 2HB HIS 134 12.810 27.689 -0.401 1060 2HB HIS 134 3HB HIS 134 12.494 27.461 -2.119 1061 HD1 HIS 134 HD1 HIS 134 13.590 29.128 -3.565 1062 HD2 HIS 134 HD2 HIS 134 12.823 30.634 0.236 1063 HE1 HIS 134 HE1 HIS 134 14.530 31.465 -3.555 1064 HE2 HIS 134 HE2 HIS 134 14.143 32.320 -1.212 1065 H HIS 135 H HIS 135 9.285 30.154 -1.495 1066 HA HIS 135 HA HIS 135 9.275 29.891 -4.360 1067 1HB HIS 135 2HB HIS 135 7.181 28.627 -2.851 1068 2HB HIS 135 3HB HIS 135 6.507 29.965 -3.776 1069 HD1 HIS 135 HD1 HIS 135 9.244 27.535 -4.805 1070 HD2 HIS 135 HD2 HIS 135 5.409 28.699 -5.913 1071 HE1 HIS 135 HE1 HIS 135 8.762 26.322 -6.950 1072 HE2 HIS 135 HE2 HIS 135 6.345 26.837 -7.449 1073 H HIS 136 H HIS 136 9.480 31.917 -4.999 1074 HA HIS 136 HA HIS 136 8.277 34.035 -3.353 1075 1HB HIS 136 2HB HIS 136 10.894 33.705 -3.916 1076 2HB HIS 136 3HB HIS 136 10.423 34.720 -5.275 1077 HD1 HIS 136 HD1 HIS 136 10.617 37.140 -4.833 1078 HD2 HIS 136 HD2 HIS 136 9.989 34.971 -1.340 1079 HE1 HIS 136 HE1 HIS 136 10.709 38.823 -2.957 1080 HE2 HIS 136 HE2 HIS 136 10.402 37.472 -0.847 1081 H HIS 137 H HIS 137 7.567 35.980 -4.425 1082 HA HIS 137 HA HIS 137 6.955 35.747 -7.273 1083 1HB HIS 137 2HB HIS 137 4.985 34.882 -5.912 1084 2HB HIS 137 3HB HIS 137 4.824 36.509 -5.264 1085 HD1 HIS 137 HD1 HIS 137 5.763 36.669 -8.776 1086 HD2 HIS 137 HD2 HIS 137 2.226 36.218 -6.624 1087 HE1 HIS 137 HE1 HIS 137 3.907 37.226 -10.383 1088 HE2 HIS 137 HE2 HIS 137 1.772 36.934 -9.068 1089 1H ALA 1 H1 ALA 1 24.797 -8.106 -19.764 1090 2H ALA 1 H2 ALA 1 25.065 -7.384 -18.253 1091 3H ALA 1 H3 ALA 1 24.607 -9.015 -18.343 1092 HA ALA 1 HA ALA 1 22.958 -6.687 -19.132 1093 1HB ALA 1 1HB ALA 1 22.555 -9.642 -19.385 1094 2HB ALA 1 2HB ALA 1 21.171 -8.568 -19.180 1095 3HB ALA 1 3HB ALA 1 22.247 -8.364 -20.561 1096 H ASP 2 H ASP 2 20.892 -6.722 -17.793 1097 HA ASP 2 HA ASP 2 21.576 -7.426 -15.014 1098 1HB ASP 2 2HB ASP 2 20.478 -5.532 -14.212 1099 2HB ASP 2 3HB ASP 2 21.258 -4.933 -15.669 1100 H MET 3 H MET 3 19.960 -8.351 -13.724 1101 HA MET 3 HA MET 3 18.190 -9.997 -15.304 1102 1HB MET 3 2HB MET 3 18.846 -10.067 -12.357 1103 2HB MET 3 3HB MET 3 17.871 -11.262 -13.202 1104 1HG MET 3 2HG MET 3 20.401 -10.874 -14.521 1105 2HG MET 3 3HG MET 3 20.625 -11.289 -12.823 1106 1HE MET 3 1HE MET 3 20.711 -13.234 -11.935 1107 2HE MET 3 2HE MET 3 19.100 -13.948 -11.889 1108 3HE MET 3 3HE MET 3 20.429 -14.819 -12.652 1109 H GLY 4 H GLY 4 17.804 -7.051 -14.089 1110 1HA GLY 4 1HA GLY 4 15.495 -7.081 -12.535 1111 2HA GLY 4 2HA GLY 4 15.978 -5.754 -13.582 1112 H GLU 5 H GLU 5 15.861 -7.243 -15.993 1113 HA GLU 5 HA GLU 5 13.094 -6.972 -16.655 1114 1HB GLU 5 2HB GLU 5 14.069 -8.407 -18.736 1115 2HB GLU 5 3HB GLU 5 14.203 -6.661 -18.592 1116 1HG GLU 5 2HG GLU 5 16.438 -6.772 -17.910 1117 2HG GLU 5 3HG GLU 5 16.324 -8.489 -17.521 1118 H LYS 6 H LYS 6 15.132 -9.616 -15.745 1119 HA LYS 6 HA LYS 6 13.551 -11.746 -16.633 1120 1HB LYS 6 2HB LYS 6 15.571 -11.584 -14.403 1121 2HB LYS 6 3HB LYS 6 14.797 -13.088 -14.884 1122 1HG LYS 6 2HG LYS 6 16.320 -11.362 -16.811 1123 2HG LYS 6 3HG LYS 6 17.083 -12.635 -15.855 1124 1HD LYS 6 2HD LYS 6 14.963 -13.971 -16.893 1125 2HD LYS 6 3HD LYS 6 15.305 -12.827 -18.193 1126 1HE LYS 6 2HE LYS 6 16.913 -14.206 -18.871 1127 2HE LYS 6 3HE LYS 6 17.799 -13.789 -17.407 1128 1HZ LYS 6 HZ1 LYS 6 16.425 -15.627 -16.325 1129 2HZ LYS 6 HZ2 LYS 6 16.063 -16.129 -17.905 1130 3HZ LYS 6 HZ3 LYS 6 17.674 -16.097 -17.371 1131 H PHE 7 H PHE 7 13.619 -10.213 -13.387 1132 HA PHE 7 HA PHE 7 11.396 -11.921 -12.623 1133 1HB PHE 7 2HB PHE 7 11.605 -10.626 -10.403 1134 2HB PHE 7 3HB PHE 7 12.849 -11.788 -10.834 1135 HD1 PHE 7 HD1 PHE 7 12.065 -8.152 -10.965 1136 HD2 PHE 7 HD2 PHE 7 15.070 -11.157 -10.759 1137 HE1 PHE 7 HE1 PHE 7 13.767 -6.419 -10.573 1138 HE2 PHE 7 HE2 PHE 7 16.776 -9.429 -10.371 1139 HZ PHE 7 HZ PHE 7 16.124 -7.057 -10.273 1140 H ASP 8 H ASP 8 11.864 -8.700 -13.719 1141 HA ASP 8 HA ASP 8 9.765 -7.329 -12.561 1142 1HB ASP 8 2HB ASP 8 10.970 -5.886 -13.844 1143 2HB ASP 8 3HB ASP 8 11.275 -7.086 -15.092 1144 H ALA 9 H ALA 9 9.680 -9.314 -15.497 1145 HA ALA 9 HA ALA 9 6.955 -8.951 -16.073 1146 1HB ALA 9 1HB ALA 9 9.142 -10.486 -17.082 1147 2HB ALA 9 2HB ALA 9 7.716 -11.517 -16.949 1148 3HB ALA 9 3HB ALA 9 7.641 -10.026 -17.888 1149 H THR 10 H THR 10 8.661 -11.409 -14.180 1150 HA THR 10 HA THR 10 6.426 -13.029 -13.651 1151 HB THR 10 HB THR 10 8.421 -13.068 -11.532 1152 HG1 THR 10 HG1 THR 10 9.559 -13.823 -13.962 1153 1HG2 THR 10 1HG2 THR 10 6.931 -14.940 -12.095 1154 2HG2 THR 10 2HG2 THR 10 7.679 -15.056 -13.686 1155 3HG2 THR 10 3HG2 THR 10 8.625 -15.402 -12.238 1156 H PHE 11 H PHE 11 7.886 -10.358 -11.811 1157 HA PHE 11 HA PHE 11 6.478 -10.572 -9.450 1158 1HB PHE 11 2HB PHE 11 8.362 -8.917 -10.289 1159 2HB PHE 11 3HB PHE 11 6.993 -7.859 -10.607 1160 HD1 PHE 11 HD1 PHE 11 5.277 -8.637 -8.247 1161 HD2 PHE 11 HD2 PHE 11 9.429 -7.763 -8.581 1162 HE1 PHE 11 HE1 PHE 11 5.306 -7.876 -5.903 1163 HE2 PHE 11 HE2 PHE 11 9.462 -7.000 -6.248 1164 HZ PHE 11 HZ PHE 11 7.401 -7.046 -4.907 1165 H LYS 12 H LYS 12 5.584 -8.664 -12.308 1166 HA LYS 12 HA LYS 12 3.053 -7.855 -11.280 1167 1HB LYS 12 2HB LYS 12 4.529 -6.853 -13.222 1168 2HB LYS 12 3HB LYS 12 3.586 -7.954 -14.214 1169 1HG LYS 12 2HG LYS 12 2.719 -5.599 -14.051 1170 2HG LYS 12 3HG LYS 12 1.559 -6.872 -13.673 1171 1HD LYS 12 2HD LYS 12 1.826 -6.486 -11.311 1172 2HD LYS 12 3HD LYS 12 3.139 -5.344 -11.603 1173 1HE LYS 12 2HE LYS 12 1.659 -3.760 -12.573 1174 2HE LYS 12 3HE LYS 12 0.348 -4.935 -12.654 1175 1HZ LYS 12 HZ1 LYS 12 1.418 -4.422 -9.994 1176 2HZ LYS 12 HZ2 LYS 12 0.590 -3.130 -10.712 1177 3HZ LYS 12 HZ3 LYS 12 -0.191 -4.612 -10.505 1178 H ALA 13 H ALA 13 4.203 -10.685 -12.834 1179 HA ALA 13 HA ALA 13 1.703 -11.652 -13.850 1180 1HB ALA 13 1HB ALA 13 3.934 -12.450 -14.631 1181 2HB ALA 13 2HB ALA 13 4.133 -13.267 -13.078 1182 3HB ALA 13 3HB ALA 13 2.830 -13.747 -14.171 1183 H GLN 14 H GLN 14 3.540 -12.106 -10.870 1184 HA GLN 14 HA GLN 14 1.670 -13.930 -9.695 1185 1HB GLN 14 2HB GLN 14 3.985 -12.333 -8.640 1186 2HB GLN 14 3HB GLN 14 2.924 -13.209 -7.544 1187 1HG GLN 14 2HG GLN 14 3.531 -15.086 -9.459 1188 2HG GLN 14 3HG GLN 14 5.038 -14.187 -9.278 1189 1HE2 GLN 14 1HE2 GLN 14 6.222 -14.425 -7.463 1190 2HE2 GLN 14 2HE2 GLN 14 5.826 -15.521 -6.175 1191 H VAL 15 H VAL 15 2.398 -10.501 -9.224 1192 HA VAL 15 HA VAL 15 0.468 -9.944 -7.306 1193 HB VAL 15 HB VAL 15 2.110 -8.380 -9.170 1194 1HG1 VAL 15 1HG1 VAL 15 -0.252 -7.556 -9.636 1195 2HG1 VAL 15 2HG1 VAL 15 -0.252 -6.959 -7.976 1196 3HG1 VAL 15 3HG1 VAL 15 0.932 -6.346 -9.132 1197 1HG2 VAL 15 1HG2 VAL 15 2.586 -8.856 -6.765 1198 2HG2 VAL 15 2HG2 VAL 15 2.638 -7.147 -7.194 1199 3HG2 VAL 15 3HG2 VAL 15 1.239 -7.801 -6.346 1200 H LYS 16 H LYS 16 0.143 -10.175 -10.799 1201 HA LYS 16 HA LYS 16 -2.419 -9.037 -11.073 1202 1HB LYS 16 2HB LYS 16 -0.524 -10.363 -12.728 1203 2HB LYS 16 3HB LYS 16 -2.081 -11.143 -12.963 1204 1HG LYS 16 2HG LYS 16 -2.796 -8.535 -13.067 1205 2HG LYS 16 3HG LYS 16 -1.169 -8.473 -13.750 1206 1HD LYS 16 2HD LYS 16 -2.754 -8.804 -15.531 1207 2HD LYS 16 3HD LYS 16 -1.817 -10.286 -15.318 1208 1HE LYS 16 2HE LYS 16 -3.912 -10.701 -13.627 1209 2HE LYS 16 3HE LYS 16 -4.679 -9.784 -14.922 1210 1HZ LYS 16 HZ1 LYS 16 -3.214 -11.564 -16.298 1211 2HZ LYS 16 HZ2 LYS 16 -3.632 -12.481 -14.935 1212 3HZ LYS 16 HZ3 LYS 16 -4.846 -11.783 -15.892 1213 H ALA 17 H ALA 17 -1.358 -12.236 -10.120 1214 HA ALA 17 HA ALA 17 -3.849 -13.544 -10.470 1215 1HB ALA 17 1HB ALA 17 -1.231 -14.202 -9.384 1216 2HB ALA 17 2HB ALA 17 -2.556 -14.983 -8.519 1217 3HB ALA 17 3HB ALA 17 -2.381 -15.213 -10.260 1218 H ALA 18 H ALA 18 -2.539 -11.551 -7.969 1219 HA ALA 18 HA ALA 18 -4.128 -12.425 -5.817 1220 1HB ALA 18 1HB ALA 18 -2.583 -9.938 -6.396 1221 2HB ALA 18 2HB ALA 18 -3.643 -10.007 -4.987 1222 3HB ALA 18 3HB ALA 18 -2.321 -11.164 -5.153 1223 H LYS 19 H LYS 19 -4.646 -9.799 -8.184 1224 HA LYS 19 HA LYS 19 -7.203 -9.080 -7.095 1225 1HB LYS 19 2HB LYS 19 -7.327 -7.848 -9.386 1226 2HB LYS 19 3HB LYS 19 -6.213 -7.278 -8.153 1227 1HG LYS 19 2HG LYS 19 -4.352 -8.067 -9.288 1228 2HG LYS 19 3HG LYS 19 -5.299 -9.207 -10.246 1229 1HD LYS 19 2HD LYS 19 -6.157 -6.475 -10.677 1230 2HD LYS 19 3HD LYS 19 -4.440 -6.682 -11.027 1231 1HE LYS 19 2HE LYS 19 -4.913 -8.463 -12.570 1232 2HE LYS 19 3HE LYS 19 -6.619 -8.453 -12.124 1233 1HZ LYS 19 HZ1 LYS 19 -6.074 -5.878 -12.904 1234 2HZ LYS 19 HZ2 LYS 19 -5.241 -6.841 -14.026 1235 3HZ LYS 19 HZ3 LYS 19 -6.907 -7.050 -13.803 1236 H ALA 20 H ALA 20 -6.010 -11.417 -9.231 1237 HA ALA 20 HA ALA 20 -8.370 -11.790 -10.818 1238 1HB ALA 20 1HB ALA 20 -5.718 -12.992 -10.653 1239 2HB ALA 20 2HB ALA 20 -6.991 -14.149 -11.040 1240 3HB ALA 20 3HB ALA 20 -6.759 -12.722 -12.052 1241 H ASP 21 H ASP 21 -7.457 -12.746 -7.673 1242 HA ASP 21 HA ASP 21 -8.906 -15.196 -7.551 1243 1HB ASP 21 2HB ASP 21 -7.031 -14.686 -6.029 1244 2HB ASP 21 3HB ASP 21 -7.986 -13.401 -5.295 1245 H MET 22 H MET 22 -9.846 -11.901 -7.341 1246 HA MET 22 HA MET 22 -12.474 -12.733 -6.310 1247 1HB MET 22 2HB MET 22 -12.616 -10.217 -5.650 1248 2HB MET 22 3HB MET 22 -11.727 -11.336 -4.623 1249 1HG MET 22 2HG MET 22 -9.709 -10.574 -6.139 1250 2HG MET 22 3HG MET 22 -10.729 -9.158 -6.376 1251 1HE MET 22 1HE MET 22 -12.070 -8.269 -4.371 1252 2HE MET 22 2HE MET 22 -11.993 -9.264 -2.915 1253 3HE MET 22 3HE MET 22 -11.206 -7.686 -2.949 1254 H VAL 23 H VAL 23 -14.102 -10.803 -6.886 1255 HA VAL 23 HA VAL 23 -14.306 -10.876 -9.749 1256 HB VAL 23 HB VAL 23 -16.087 -9.239 -7.963 1257 1HG1 VAL 23 1HG1 VAL 23 -16.134 -9.401 -10.587 1258 2HG1 VAL 23 2HG1 VAL 23 -17.014 -10.891 -10.255 1259 3HG1 VAL 23 3HG1 VAL 23 -17.626 -9.353 -9.650 1260 1HG2 VAL 23 1HG2 VAL 23 -15.597 -11.790 -7.301 1261 2HG2 VAL 23 2HG2 VAL 23 -17.170 -11.023 -7.091 1262 3HG2 VAL 23 3HG2 VAL 23 -16.866 -12.038 -8.501 1263 H MET 24 H MET 24 -13.027 -9.548 -10.894 1264 HA MET 24 HA MET 24 -12.229 -6.962 -9.948 1265 1HB MET 24 2HB MET 24 -11.808 -8.526 -12.463 1266 2HB MET 24 3HB MET 24 -11.481 -6.798 -12.468 1267 1HG MET 24 2HG MET 24 -10.290 -8.036 -10.165 1268 2HG MET 24 3HG MET 24 -9.784 -8.853 -11.643 1269 1HE MET 24 1HE MET 24 -9.948 -5.539 -9.654 1270 2HE MET 24 2HE MET 24 -8.506 -6.474 -9.244 1271 3HE MET 24 3HE MET 24 -8.348 -4.904 -10.036 1272 H LEU 25 H LEU 25 -13.784 -5.492 -9.725 1273 HA LEU 25 HA LEU 25 -15.649 -5.084 -11.969 1274 1HB LEU 25 2HB LEU 25 -16.016 -5.157 -9.057 1275 2HB LEU 25 3HB LEU 25 -16.786 -3.789 -9.838 1276 HG LEU 25 HG LEU 25 -17.425 -6.688 -10.030 1277 1HD1 LEU 25 1HD1 LEU 25 -18.644 -4.343 -9.074 1278 2HD1 LEU 25 2HD1 LEU 25 -19.577 -4.859 -10.478 1279 3HD1 LEU 25 3HD1 LEU 25 -19.321 -5.971 -9.134 1280 1HD2 LEU 25 1HD2 LEU 25 -17.362 -4.830 -12.325 1281 2HD2 LEU 25 2HD2 LEU 25 -17.266 -6.591 -12.284 1282 3HD2 LEU 25 3HD2 LEU 25 -18.830 -5.790 -12.131 1283 H SER 26 H SER 26 -15.954 -3.062 -12.762 1284 HA SER 26 HA SER 26 -13.902 -1.118 -12.163 1285 1HB SER 26 2HB SER 26 -15.813 -0.128 -14.036 1286 2HB SER 26 3HB SER 26 -14.167 -0.683 -14.347 1287 HG SER 26 HG SER 26 -14.921 -2.729 -14.725 1288 HA PRO 27 HA PRO 27 -15.720 1.422 -9.163 1289 1HB PRO 27 2HB PRO 27 -15.596 3.814 -10.781 1290 2HB PRO 27 3HB PRO 27 -14.594 3.352 -9.406 1291 1HG PRO 27 2HG PRO 27 -14.073 3.058 -12.287 1292 2HG PRO 27 3HG PRO 27 -12.931 3.080 -10.933 1293 1HD PRO 27 2HD PRO 27 -13.448 0.826 -12.284 1294 2HD PRO 27 3HD PRO 27 -13.173 0.809 -10.533 1295 H LYS 28 H LYS 28 -17.116 1.896 -12.458 1296 HA LYS 28 HA LYS 28 -19.443 3.211 -11.417 1297 1HB LYS 28 2HB LYS 28 -19.411 1.834 -14.076 1298 2HB LYS 28 3HB LYS 28 -20.245 3.303 -13.600 1299 1HG LYS 28 2HG LYS 28 -18.358 4.611 -13.845 1300 2HG LYS 28 3HG LYS 28 -17.261 3.234 -13.687 1301 1HD LYS 28 2HD LYS 28 -17.359 2.762 -15.872 1302 2HD LYS 28 3HD LYS 28 -19.105 3.004 -15.936 1303 1HE LYS 28 2HE LYS 28 -18.860 5.034 -16.816 1304 2HE LYS 28 3HE LYS 28 -17.720 5.507 -15.556 1305 1HZ LYS 28 HZ1 LYS 28 -16.736 3.715 -17.644 1306 2HZ LYS 28 HZ2 LYS 28 -17.019 5.333 -18.080 1307 3HZ LYS 28 HZ3 LYS 28 -15.940 4.969 -16.821 1308 H ASP 29 H ASP 29 -18.691 -0.060 -12.526 1309 HA ASP 29 HA ASP 29 -21.312 -1.113 -12.168 1310 1HB ASP 29 2HB ASP 29 -18.939 -2.054 -13.249 1311 2HB ASP 29 3HB ASP 29 -19.146 -3.046 -11.806 1312 H ALA 30 H ALA 30 -18.533 -0.696 -10.133 1313 HA ALA 30 HA ALA 30 -19.507 -2.283 -7.958 1314 1HB ALA 30 1HB ALA 30 -17.347 -0.186 -8.073 1315 2HB ALA 30 2HB ALA 30 -17.702 -1.182 -6.661 1316 3HB ALA 30 3HB ALA 30 -17.142 -1.935 -8.154 1317 H TYR 31 H TYR 31 -19.411 1.218 -8.649 1318 HA TYR 31 HA TYR 31 -20.639 2.006 -6.240 1319 1HB TYR 31 HB2 TYR 31 -19.450 3.642 -7.532 1320 2HB TYR 31 HB3 TYR 31 -20.482 3.373 -8.930 1321 HD1 TYR 31 HD1 TYR 31 -20.617 4.517 -5.387 1322 HD2 TYR 31 HD2 TYR 31 -22.314 4.763 -9.281 1323 HE1 TYR 31 HE1 TYR 31 -22.106 6.315 -4.616 1324 HE2 TYR 31 HE2 TYR 31 -23.812 6.560 -8.523 1325 HH TYR 31 HH TYR 31 -24.793 7.197 -6.006 1326 H LYS 32 H LYS 32 -21.939 0.925 -9.302 1327 HA LYS 32 HA LYS 32 -24.563 1.791 -9.101 1328 1HB LYS 32 2HB LYS 32 -23.689 0.722 -11.113 1329 2HB LYS 32 3HB LYS 32 -23.522 -0.803 -10.255 1330 1HG LYS 32 2HG LYS 32 -26.173 -0.192 -9.887 1331 2HG LYS 32 3HG LYS 32 -25.856 0.385 -11.525 1332 1HD LYS 32 2HD LYS 32 -26.200 -1.742 -12.147 1333 2HD LYS 32 3HD LYS 32 -24.585 -2.043 -11.502 1334 1HE LYS 32 2HE LYS 32 -25.809 -3.656 -10.417 1335 2HE LYS 32 3HE LYS 32 -25.861 -2.343 -9.242 1336 1HZ LYS 32 HZ1 LYS 32 -28.007 -2.148 -11.099 1337 2HZ LYS 32 HZ2 LYS 32 -28.006 -3.666 -10.336 1338 3HZ LYS 32 HZ3 LYS 32 -28.055 -2.245 -9.404 1339 H LEU 33 H LEU 33 -23.223 -1.323 -7.984 1340 HA LEU 33 HA LEU 33 -25.655 -2.030 -6.643 1341 1HB LEU 33 2HB LEU 33 -23.962 -3.749 -5.545 1342 2HB LEU 33 3HB LEU 33 -24.604 -3.962 -7.160 1343 HG LEU 33 HG LEU 33 -22.310 -2.501 -7.611 1344 1HD1 LEU 33 1HD1 LEU 33 -21.929 -3.187 -5.068 1345 2HD1 LEU 33 2HD1 LEU 33 -21.365 -4.674 -5.832 1346 3HD1 LEU 33 3HD1 LEU 33 -20.611 -3.133 -6.240 1347 1HD2 LEU 33 1HD2 LEU 33 -22.817 -5.470 -7.659 1348 2HD2 LEU 33 2HD2 LEU 33 -23.037 -4.321 -8.979 1349 3HD2 LEU 33 3HD2 LEU 33 -21.414 -4.694 -8.396 1350 H LEU 34 H LEU 34 -22.754 -0.349 -5.785 1351 HA LEU 34 HA LEU 34 -22.795 -0.652 -2.996 1352 1HB LEU 34 2HB LEU 34 -21.590 1.241 -4.925 1353 2HB LEU 34 3HB LEU 34 -21.734 1.810 -3.275 1354 HG LEU 34 HG LEU 34 -20.411 -0.810 -3.922 1355 1HD1 LEU 34 1HD1 LEU 34 -19.509 1.641 -4.844 1356 2HD1 LEU 34 2HD1 LEU 34 -18.605 1.382 -3.353 1357 3HD1 LEU 34 3HD1 LEU 34 -18.549 0.176 -4.639 1358 1HD2 LEU 34 1HD2 LEU 34 -21.180 0.331 -1.555 1359 2HD2 LEU 34 2HD2 LEU 34 -19.918 -0.886 -1.745 1360 3HD2 LEU 34 3HD2 LEU 34 -19.492 0.824 -1.688 1361 H GLN 35 H GLN 35 -23.966 2.073 -4.957 1362 HA GLN 35 HA GLN 35 -25.131 3.341 -2.691 1363 1HB GLN 35 2HB GLN 35 -25.714 5.099 -4.154 1364 2HB GLN 35 3HB GLN 35 -24.156 4.493 -4.695 1365 1HG GLN 35 2HG GLN 35 -24.952 4.044 -6.711 1366 2HG GLN 35 3HG GLN 35 -26.311 3.137 -6.043 1367 1HE2 GLN 35 1HE2 GLN 35 -27.984 3.887 -7.167 1368 2HE2 GLN 35 2HE2 GLN 35 -28.455 5.546 -7.253 1369 H GLU 36 H GLU 36 -26.340 1.040 -4.967 1370 HA GLU 36 HA GLU 36 -29.093 1.780 -4.427 1371 1HB GLU 36 2HB GLU 36 -29.397 1.005 -6.492 1372 2HB GLU 36 3HB GLU 36 -27.721 0.494 -6.559 1373 1HG GLU 36 2HG GLU 36 -28.655 -1.583 -5.242 1374 2HG GLU 36 3HG GLU 36 -30.167 -1.084 -5.998 1375 H ASN 37 H ASN 37 -26.749 -0.578 -3.442 1376 HA ASN 37 HA ASN 37 -28.773 -1.734 -1.636 1377 1HB ASN 37 2HB ASN 37 -26.301 -3.200 -2.566 1378 2HB ASN 37 3HB ASN 37 -27.664 -3.850 -1.668 1379 1HD2 ASN 37 1HD2 ASN 37 -26.340 -3.224 -4.712 1380 2HD2 ASN 37 2HD2 ASN 37 -27.682 -3.738 -5.681 1381 HA PRO 38 HA PRO 38 -25.819 0.664 0.861 1382 1HB PRO 38 2HB PRO 38 -27.989 0.335 2.854 1383 2HB PRO 38 3HB PRO 38 -27.165 1.801 2.311 1384 1HG PRO 38 2HG PRO 38 -29.650 1.286 1.527 1385 2HG PRO 38 3HG PRO 38 -28.472 1.984 0.397 1386 1HD PRO 38 2HD PRO 38 -29.420 -0.849 0.637 1387 2HD PRO 38 3HD PRO 38 -29.143 0.124 -0.823 1388 H ASP 39 H ASP 39 -26.642 -2.518 1.051 1389 HA ASP 39 HA ASP 39 -25.323 -2.980 3.617 1390 1HB ASP 39 2HB ASP 39 -27.407 -4.299 2.852 1391 2HB ASP 39 3HB ASP 39 -26.314 -5.134 1.753 1392 H ILE 40 H ILE 40 -24.783 -2.928 0.243 1393 HA ILE 40 HA ILE 40 -22.331 -4.454 0.308 1394 HB ILE 40 HB ILE 40 -23.458 -2.645 -1.841 1395 1HG1 ILE 40 2HG1 ILE 40 -23.478 -5.655 -1.524 1396 2HG1 ILE 40 3HG1 ILE 40 -24.873 -4.587 -1.426 1397 1HG2 ILE 40 1HG2 ILE 40 -20.857 -3.387 -1.600 1398 2HG2 ILE 40 2HG2 ILE 40 -21.501 -4.710 -2.571 1399 3HG2 ILE 40 3HG2 ILE 40 -21.660 -3.045 -3.132 1400 1HD1 ILE 40 1HD1 ILE 40 -23.618 -4.133 -3.919 1401 2HD1 ILE 40 2HD1 ILE 40 -23.778 -5.876 -3.695 1402 3HD1 ILE 40 3HD1 ILE 40 -25.201 -4.838 -3.591 1403 H THR 41 H THR 41 -20.712 -3.608 1.434 1404 HA THR 41 HA THR 41 -20.403 -0.710 1.580 1405 HB THR 41 HB THR 41 -18.631 -2.590 3.079 1406 HG1 THR 41 HG1 THR 41 -21.298 -2.767 3.135 1407 1HG2 THR 41 1HG2 THR 41 -18.712 0.041 3.112 1408 2HG2 THR 41 2HG2 THR 41 -20.052 -0.233 4.224 1409 3HG2 THR 41 3HG2 THR 41 -18.452 -0.872 4.599 1410 H LEU 42 H LEU 42 -18.504 0.396 0.998 1411 HA LEU 42 HA LEU 42 -16.635 -1.161 -0.656 1412 1HB LEU 42 2HB LEU 42 -17.462 0.536 -2.045 1413 2HB LEU 42 3HB LEU 42 -17.511 1.711 -0.745 1414 HG LEU 42 HG LEU 42 -14.948 1.623 -0.802 1415 1HD1 LEU 42 1HD1 LEU 42 -15.658 -0.086 -3.112 1416 2HD1 LEU 42 2HD1 LEU 42 -14.346 1.072 -3.340 1417 3HD1 LEU 42 3HD1 LEU 42 -14.247 -0.132 -2.052 1418 1HD2 LEU 42 1HD2 LEU 42 -16.357 3.475 -1.669 1419 2HD2 LEU 42 2HD2 LEU 42 -14.844 3.265 -2.550 1420 3HD2 LEU 42 3HD2 LEU 42 -16.357 2.683 -3.246 1421 H ILE 43 H ILE 43 -14.676 -1.485 0.106 1422 HA ILE 43 HA ILE 43 -13.769 0.128 2.387 1423 HB ILE 43 HB ILE 43 -13.368 -2.706 1.634 1424 1HG1 ILE 43 2HG1 ILE 43 -12.980 -2.749 4.192 1425 2HG1 ILE 43 3HG1 ILE 43 -13.516 -1.072 4.148 1426 1HG2 ILE 43 1HG2 ILE 43 -11.088 -1.064 2.721 1427 2HG2 ILE 43 2HG2 ILE 43 -11.182 -2.820 2.860 1428 3HG2 ILE 43 3HG2 ILE 43 -11.105 -2.065 1.269 1429 1HD1 ILE 43 1HD1 ILE 43 -15.519 -2.123 2.802 1430 2HD1 ILE 43 2HD1 ILE 43 -15.037 -3.570 3.695 1431 3HD1 ILE 43 3HD1 ILE 43 -15.487 -2.100 4.566 1432 H ASP 44 H ASP 44 -12.444 1.710 1.873 1433 HA ASP 44 HA ASP 44 -10.998 1.558 -0.659 1434 1HB ASP 44 2HB ASP 44 -11.953 3.605 -0.809 1435 2HB ASP 44 3HB ASP 44 -12.250 3.691 0.920 1436 H VAL 45 H VAL 45 -8.901 1.095 -0.664 1437 HA VAL 45 HA VAL 45 -7.408 1.531 1.833 1438 HB VAL 45 HB VAL 45 -5.985 -0.127 -0.048 1439 1HG1 VAL 45 1HG1 VAL 45 -6.089 0.164 2.620 1440 2HG1 VAL 45 2HG1 VAL 45 -7.061 -1.295 2.435 1441 3HG1 VAL 45 3HG1 VAL 45 -5.408 -1.251 1.817 1442 1HG2 VAL 45 1HG2 VAL 45 -8.742 -1.106 0.694 1443 2HG2 VAL 45 2HG2 VAL 45 -8.136 -0.792 -0.931 1444 3HG2 VAL 45 3HG2 VAL 45 -7.459 -2.112 0.020 1445 H ARG 46 H ARG 46 -6.719 3.562 1.520 1446 HA ARG 46 HA ARG 46 -4.762 4.007 -0.577 1447 1HB ARG 46 2HB ARG 46 -7.134 4.694 -1.339 1448 2HB ARG 46 3HB ARG 46 -6.966 6.018 -0.195 1449 1HG ARG 46 2HG ARG 46 -6.379 6.812 -2.363 1450 2HG ARG 46 3HG ARG 46 -4.906 6.719 -1.395 1451 1HD ARG 46 2HD ARG 46 -5.785 4.541 -3.279 1452 2HD ARG 46 3HD ARG 46 -4.732 5.868 -3.768 1453 HE ARG 46 HE ARG 46 -4.035 3.589 -2.140 1454 1HH1 ARG 46 1HH1 ARG 46 -3.151 6.835 -3.133 1455 2HH1 ARG 46 2HH1 ARG 46 -1.505 6.695 -2.555 1456 1HH2 ARG 46 1HH2 ARG 46 -1.877 3.419 -1.377 1457 2HH2 ARG 46 2HH2 ARG 46 -0.807 4.782 -1.522 1458 H ASP 47 H ASP 47 -3.460 5.874 -0.211 1459 HA ASP 47 HA ASP 47 -2.853 6.208 2.540 1460 1HB ASP 47 2HB ASP 47 -1.704 7.057 -0.057 1461 2HB ASP 47 3HB ASP 47 -1.309 8.070 1.330 1462 HA PRO 48 HA PRO 48 -5.515 9.529 3.565 1463 1HB PRO 48 2HB PRO 48 -3.943 10.671 5.537 1464 2HB PRO 48 3HB PRO 48 -5.029 9.299 5.773 1465 1HG PRO 48 2HG PRO 48 -2.074 9.328 5.338 1466 2HG PRO 48 3HG PRO 48 -3.044 8.298 6.407 1467 1HD PRO 48 2HD PRO 48 -2.084 7.394 4.067 1468 2HD PRO 48 3HD PRO 48 -3.670 6.881 4.682 1469 H ASP 49 H ASP 49 -2.125 10.157 2.876 1470 HA ASP 49 HA ASP 49 -2.426 12.981 2.633 1471 1HB ASP 49 2HB ASP 49 -0.261 11.013 2.173 1472 2HB ASP 49 3HB ASP 49 -0.155 12.520 1.263 1473 H GLU 50 H GLU 50 -2.336 10.296 0.330 1474 HA GLU 50 HA GLU 50 -2.651 11.913 -1.994 1475 1HB GLU 50 2HB GLU 50 -2.218 9.206 -1.501 1476 2HB GLU 50 3HB GLU 50 -3.819 9.261 -2.227 1477 1HG GLU 50 2HG GLU 50 -2.493 10.902 -3.894 1478 2HG GLU 50 3HG GLU 50 -1.182 9.834 -3.403 1479 H LEU 51 H LEU 51 -4.814 10.477 0.345 1480 HA LEU 51 HA LEU 51 -7.263 10.864 -1.010 1481 1HB LEU 51 2HB LEU 51 -6.419 9.908 1.493 1482 2HB LEU 51 3HB LEU 51 -7.493 11.247 1.845 1483 HG LEU 51 HG LEU 51 -9.244 10.168 0.459 1484 1HD1 LEU 51 1HD1 LEU 51 -7.211 8.733 -0.632 1485 2HD1 LEU 51 2HD1 LEU 51 -7.905 7.562 0.489 1486 3HD1 LEU 51 3HD1 LEU 51 -8.919 8.306 -0.746 1487 1HD2 LEU 51 1HD2 LEU 51 -9.173 9.842 2.885 1488 2HD2 LEU 51 2HD2 LEU 51 -9.787 8.410 2.058 1489 3HD2 LEU 51 3HD2 LEU 51 -8.132 8.436 2.664 1490 H LYS 52 H LYS 52 -5.223 12.954 0.898 1491 HA LYS 52 HA LYS 52 -7.080 15.103 1.163 1492 1HB LYS 52 2HB LYS 52 -4.069 14.986 1.385 1493 2HB LYS 52 3HB LYS 52 -4.991 16.457 1.653 1494 1HG LYS 52 2HG LYS 52 -6.074 15.528 3.555 1495 2HG LYS 52 3HG LYS 52 -5.435 13.921 3.204 1496 1HD LYS 52 2HD LYS 52 -3.154 15.425 3.341 1497 2HD LYS 52 3HD LYS 52 -4.174 16.195 4.558 1498 1HE LYS 52 2HE LYS 52 -4.324 14.268 5.835 1499 2HE LYS 52 3HE LYS 52 -3.910 13.218 4.482 1500 1HZ LYS 52 HZ1 LYS 52 -1.635 14.148 4.572 1501 2HZ LYS 52 HZ2 LYS 52 -2.061 15.011 5.966 1502 3HZ LYS 52 HZ3 LYS 52 -2.071 13.319 5.984 1503 H ALA 53 H ALA 53 -4.522 14.308 -1.133 1504 HA ALA 53 HA ALA 53 -4.782 16.827 -2.490 1505 1HB ALA 53 1HB ALA 53 -2.770 14.935 -2.186 1506 2HB ALA 53 2HB ALA 53 -3.177 14.896 -3.900 1507 3HB ALA 53 3HB ALA 53 -2.705 16.415 -3.141 1508 H MET 54 H MET 54 -5.572 13.442 -3.287 1509 HA MET 54 HA MET 54 -6.534 14.316 -5.900 1510 1HB MET 54 2HB MET 54 -5.738 11.723 -4.685 1511 2HB MET 54 3HB MET 54 -6.932 11.677 -5.974 1512 1HG MET 54 2HG MET 54 -5.040 13.321 -7.032 1513 2HG MET 54 3HG MET 54 -4.063 12.203 -6.082 1514 1HE MET 54 1HE MET 54 -6.875 12.679 -8.370 1515 2HE MET 54 2HE MET 54 -6.097 12.081 -9.834 1516 3HE MET 54 3HE MET 54 -7.276 11.078 -8.987 1517 H GLY 55 H GLY 55 -7.750 12.967 -2.906 1518 1HA GLY 55 1HA GLY 55 -10.015 13.585 -2.270 1519 2HA GLY 55 2HA GLY 55 -10.468 13.311 -3.942 1520 H LYS 56 H LYS 56 -12.029 12.056 -2.319 1521 HA LYS 56 HA LYS 56 -11.314 9.252 -2.659 1522 1HB LYS 56 2HB LYS 56 -11.791 8.615 -0.401 1523 2HB LYS 56 3HB LYS 56 -10.619 9.922 -0.328 1524 1HG LYS 56 2HG LYS 56 -13.346 10.901 -0.215 1525 2HG LYS 56 3HG LYS 56 -12.991 9.750 1.073 1526 1HD LYS 56 2HD LYS 56 -10.764 11.252 1.169 1527 2HD LYS 56 3HD LYS 56 -11.916 12.459 0.595 1528 1HE LYS 56 2HE LYS 56 -12.863 12.621 2.604 1529 2HE LYS 56 3HE LYS 56 -13.025 10.870 2.739 1530 1HZ LYS 56 HZ1 LYS 56 -10.335 11.467 3.073 1531 2HZ LYS 56 HZ2 LYS 56 -11.186 12.577 4.024 1532 3HZ LYS 56 HZ3 LYS 56 -11.423 10.913 4.247 1533 HA PRO 57 HA PRO 57 -15.504 8.839 -3.887 1534 1HB PRO 57 2HB PRO 57 -16.388 6.635 -2.459 1535 2HB PRO 57 3HB PRO 57 -15.521 6.582 -3.996 1536 1HG PRO 57 2HG PRO 57 -14.501 6.176 -1.227 1537 2HG PRO 57 3HG PRO 57 -13.994 5.398 -2.736 1538 1HD PRO 57 2HD PRO 57 -12.541 7.340 -1.539 1539 2HD PRO 57 3HD PRO 57 -12.584 7.133 -3.302 1540 H ASP 58 H ASP 58 -17.248 9.928 -3.371 1541 HA ASP 58 HA ASP 58 -17.919 10.394 -0.553 1542 1HB ASP 58 2HB ASP 58 -17.833 12.312 -2.215 1543 2HB ASP 58 3HB ASP 58 -19.241 11.597 -2.991 1544 H VAL 59 H VAL 59 -18.884 8.558 0.111 1545 HA VAL 59 HA VAL 59 -21.371 7.785 -1.232 1546 HB VAL 59 HB VAL 59 -20.499 5.351 -0.453 1547 1HG1 VAL 59 1HG1 VAL 59 -20.605 6.828 -2.959 1548 2HG1 VAL 59 2HG1 VAL 59 -19.449 5.497 -2.985 1549 3HG1 VAL 59 3HG1 VAL 59 -21.141 5.189 -2.589 1550 1HG2 VAL 59 1HG2 VAL 59 -18.294 6.401 0.194 1551 2HG2 VAL 59 2HG2 VAL 59 -18.206 5.012 -0.890 1552 3HG2 VAL 59 3HG2 VAL 59 -18.009 6.646 -1.531 1553 H LYS 60 H LYS 60 -22.772 6.493 0.138 1554 HA LYS 60 HA LYS 60 -22.816 7.592 2.784 1555 1HB LYS 60 2HB LYS 60 -24.733 5.462 1.960 1556 2HB LYS 60 3HB LYS 60 -25.023 6.941 2.864 1557 1HG LYS 60 2HG LYS 60 -25.961 7.686 0.986 1558 2HG LYS 60 3HG LYS 60 -24.308 7.907 0.410 1559 1HD LYS 60 2HD LYS 60 -24.726 6.460 -1.230 1560 2HD LYS 60 3HD LYS 60 -24.963 5.197 -0.021 1561 1HE LYS 60 2HE LYS 60 -26.900 5.314 -1.456 1562 2HE LYS 60 3HE LYS 60 -27.332 5.862 0.163 1563 1HZ LYS 60 HZ1 LYS 60 -26.471 8.023 -1.497 1564 2HZ LYS 60 HZ2 LYS 60 -27.787 7.199 -2.183 1565 3HZ LYS 60 HZ3 LYS 60 -27.909 7.842 -0.619 1566 H ASN 61 H ASN 61 -21.979 4.536 1.361 1567 HA ASN 61 HA ASN 61 -21.528 3.421 4.044 1568 1HB ASN 61 2HB ASN 61 -22.151 1.186 3.012 1569 2HB ASN 61 3HB ASN 61 -23.471 2.321 3.252 1570 1HD2 ASN 61 1HD2 ASN 61 -23.748 0.222 1.575 1571 2HD2 ASN 61 2HD2 ASN 61 -23.817 0.759 -0.066 1572 H TYR 62 H TYR 62 -19.340 4.354 3.524 1573 HA TYR 62 HA TYR 62 -17.753 2.191 2.357 1574 1HB TYR 62 HB2 TYR 62 -17.066 3.414 0.626 1575 2HB TYR 62 HB3 TYR 62 -18.057 4.760 1.164 1576 HD1 TYR 62 HD1 TYR 62 -14.694 3.219 1.588 1577 HD2 TYR 62 HD2 TYR 62 -17.052 6.751 1.866 1578 HE1 TYR 62 HE1 TYR 62 -12.664 4.540 1.960 1579 HE2 TYR 62 HE2 TYR 62 -15.021 8.081 2.238 1580 HH TYR 62 HH TYR 62 -11.822 6.680 1.894 1581 H LYS 63 H LYS 63 -15.830 1.798 3.371 1582 HA LYS 63 HA LYS 63 -15.238 3.455 5.731 1583 1HB LYS 63 2HB LYS 63 -14.880 0.465 5.741 1584 2HB LYS 63 3HB LYS 63 -14.966 1.571 7.106 1585 1HG LYS 63 2HG LYS 63 -17.354 1.995 6.478 1586 2HG LYS 63 3HG LYS 63 -17.217 0.639 5.356 1587 1HD LYS 63 2HD LYS 63 -16.597 -0.820 7.232 1588 2HD LYS 63 3HD LYS 63 -16.770 0.543 8.339 1589 1HE LYS 63 2HE LYS 63 -18.995 -0.483 6.585 1590 2HE LYS 63 3HE LYS 63 -18.734 -1.017 8.244 1591 1HZ LYS 63 HZ1 LYS 63 -18.889 1.418 8.856 1592 2HZ LYS 63 HZ2 LYS 63 -19.486 1.688 7.293 1593 3HZ LYS 63 HZ3 LYS 63 -20.332 0.675 8.361 1594 H HIS 64 H HIS 64 -13.254 4.231 5.722 1595 HA HIS 64 HA HIS 64 -11.340 3.379 3.768 1596 1HB HIS 64 2HB HIS 64 -11.597 5.749 4.441 1597 2HB HIS 64 3HB HIS 64 -11.041 5.339 6.058 1598 HD1 HIS 64 HD1 HIS 64 -8.867 6.583 6.143 1599 HD2 HIS 64 HD2 HIS 64 -9.229 4.207 2.746 1600 HE1 HIS 64 HE1 HIS 64 -6.623 6.683 4.995 1601 HE2 HIS 64 HE2 HIS 64 -6.916 5.363 2.878 1602 H MET 65 H MET 65 -9.713 1.986 3.994 1603 HA MET 65 HA MET 65 -9.134 0.927 6.665 1604 1HB MET 65 2HB MET 65 -8.742 -0.165 3.889 1605 2HB MET 65 3HB MET 65 -7.833 -0.807 5.250 1606 1HG MET 65 2HG MET 65 -10.794 -0.865 4.795 1607 2HG MET 65 3HG MET 65 -9.684 -2.221 4.986 1608 1HE MET 65 1HE MET 65 -12.533 -1.340 6.377 1609 2HE MET 65 2HE MET 65 -12.390 -0.869 8.072 1610 3HE MET 65 3HE MET 65 -12.041 0.302 6.800 1611 H SER 66 H SER 66 -7.073 1.035 7.480 1612 HA SER 66 HA SER 66 -5.506 3.214 6.517 1613 1HB SER 66 2HB SER 66 -4.564 1.407 8.708 1614 2HB SER 66 3HB SER 66 -4.446 3.162 8.573 1615 HG SER 66 HG SER 66 -6.920 2.933 8.644 1616 H ARG 67 H ARG 67 -5.483 1.295 4.564 1617 HA ARG 67 HA ARG 67 -4.106 0.337 3.049 1618 1HB ARG 67 2HB ARG 67 -1.727 1.432 4.522 1619 2HB ARG 67 3HB ARG 67 -1.940 1.199 2.795 1620 1HG ARG 67 2HG ARG 67 -3.180 3.129 2.552 1621 2HG ARG 67 3HG ARG 67 -3.661 3.156 4.251 1622 1HD ARG 67 2HD ARG 67 -0.848 3.615 3.271 1623 2HD ARG 67 3HD ARG 67 -1.994 4.904 3.630 1624 HE ARG 67 HE ARG 67 -1.700 3.140 5.841 1625 1HH1 ARG 67 1HH1 ARG 67 -0.117 5.783 4.154 1626 2HH1 ARG 67 2HH1 ARG 67 0.749 6.329 5.561 1627 1HH2 ARG 67 1HH2 ARG 67 -0.537 3.844 7.692 1628 2HH2 ARG 67 2HH2 ARG 67 0.521 5.210 7.570 1629 H GLY 68 H GLY 68 -1.878 0.162 5.765 1630 1HA GLY 68 1HA GLY 68 -1.604 -2.719 5.282 1631 2HA GLY 68 2HA GLY 68 -0.452 -1.712 6.149 1632 H LYS 69 H LYS 69 -2.094 -0.402 7.892 1633 HA LYS 69 HA LYS 69 -2.808 -2.503 9.759 1634 1HB LYS 69 2HB LYS 69 -2.219 0.374 9.918 1635 2HB LYS 69 3HB LYS 69 -3.517 -0.159 10.979 1636 1HG LYS 69 2HG LYS 69 -2.114 -1.617 12.153 1637 2HG LYS 69 3HG LYS 69 -0.880 -1.580 10.894 1638 1HD LYS 69 2HD LYS 69 -1.143 1.073 11.652 1639 2HD LYS 69 3HD LYS 69 -1.264 0.182 13.170 1640 1HE LYS 69 2HE LYS 69 0.903 -0.400 13.130 1641 2HE LYS 69 3HE LYS 69 0.856 -0.787 11.411 1642 1HZ LYS 69 HZ1 LYS 69 0.867 1.697 11.040 1643 2HZ LYS 69 HZ2 LYS 69 1.287 1.853 12.677 1644 3HZ LYS 69 HZ3 LYS 69 2.310 1.017 11.615 1645 H LEU 70 H LEU 70 -4.346 -2.450 7.441 1646 HA LEU 70 HA LEU 70 -6.878 -1.193 7.943 1647 1HB LEU 70 2HB LEU 70 -7.516 -2.020 5.920 1648 2HB LEU 70 3HB LEU 70 -5.782 -2.124 5.704 1649 HG LEU 70 HG LEU 70 -6.485 -4.584 6.820 1650 1HD1 LEU 70 1HD1 LEU 70 -8.643 -3.508 5.086 1651 2HD1 LEU 70 2HD1 LEU 70 -8.186 -5.200 4.898 1652 3HD1 LEU 70 3HD1 LEU 70 -8.737 -4.604 6.464 1653 1HD2 LEU 70 1HD2 LEU 70 -5.493 -3.504 4.293 1654 2HD2 LEU 70 2HD2 LEU 70 -4.936 -4.885 5.236 1655 3HD2 LEU 70 3HD2 LEU 70 -6.306 -5.061 4.140 1656 H GLU 71 H GLU 71 -5.353 -4.258 8.440 1657 HA GLU 71 HA GLU 71 -7.404 -5.915 9.087 1658 1HB GLU 71 2HB GLU 71 -5.205 -6.240 10.990 1659 2HB GLU 71 3HB GLU 71 -5.832 -7.356 9.785 1660 1HG GLU 71 2HG GLU 71 -4.175 -6.906 8.389 1661 2HG GLU 71 3HG GLU 71 -4.438 -5.167 8.531 1662 HA PRO 72 HA PRO 72 -7.663 -4.563 13.694 1663 1HB PRO 72 2HB PRO 72 -6.164 -2.072 13.974 1664 2HB PRO 72 3HB PRO 72 -6.033 -3.562 14.911 1665 1HG PRO 72 2HG PRO 72 -4.097 -2.745 13.216 1666 2HG PRO 72 3HG PRO 72 -4.444 -4.457 13.519 1667 1HD PRO 72 2HD PRO 72 -5.280 -2.737 11.205 1668 2HD PRO 72 3HD PRO 72 -4.668 -4.406 11.206 1669 H LEU 73 H LEU 73 -7.664 -2.310 11.069 1670 HA LEU 73 HA LEU 73 -9.536 -0.475 12.305 1671 1HB LEU 73 2HB LEU 73 -7.782 -0.343 10.144 1672 2HB LEU 73 3HB LEU 73 -9.369 -0.350 9.396 1673 HG LEU 73 HG LEU 73 -8.308 1.919 9.928 1674 1HD1 LEU 73 1HD1 LEU 73 -10.806 1.267 9.498 1675 2HD1 LEU 73 2HD1 LEU 73 -10.993 1.700 11.198 1676 3HD1 LEU 73 3HD1 LEU 73 -10.380 2.888 10.046 1677 1HD2 LEU 73 1HD2 LEU 73 -7.707 1.104 12.302 1678 2HD2 LEU 73 2HD2 LEU 73 -8.320 2.745 12.104 1679 3HD2 LEU 73 3HD2 LEU 73 -9.388 1.470 12.688 1680 H LEU 74 H LEU 74 -9.587 -3.382 10.494 1681 HA LEU 74 HA LEU 74 -12.099 -3.307 9.272 1682 1HB LEU 74 2HB LEU 74 -10.069 -5.130 9.523 1683 2HB LEU 74 3HB LEU 74 -11.328 -5.869 10.493 1684 HG LEU 74 HG LEU 74 -12.845 -5.791 8.570 1685 1HD1 LEU 74 1HD1 LEU 74 -10.850 -4.035 7.537 1686 2HD1 LEU 74 2HD1 LEU 74 -11.017 -5.420 6.456 1687 3HD1 LEU 74 3HD1 LEU 74 -12.428 -4.440 6.857 1688 1HD2 LEU 74 1HD2 LEU 74 -10.312 -7.286 8.640 1689 2HD2 LEU 74 2HD2 LEU 74 -11.976 -7.870 8.558 1690 3HD2 LEU 74 3HD2 LEU 74 -11.164 -7.307 7.095 1691 H ALA 75 H ALA 75 -11.155 -4.533 12.449 1692 HA ALA 75 HA ALA 75 -13.763 -5.116 13.372 1693 1HB ALA 75 1HB ALA 75 -11.092 -4.793 14.666 1694 2HB ALA 75 2HB ALA 75 -12.541 -4.920 15.662 1695 3HB ALA 75 3HB ALA 75 -12.119 -6.221 14.548 1696 H LYS 76 H LYS 76 -11.765 -2.227 13.482 1697 HA LYS 76 HA LYS 76 -13.338 -0.823 15.389 1698 1HB LYS 76 2HB LYS 76 -11.441 0.262 13.300 1699 2HB LYS 76 3HB LYS 76 -12.085 1.168 14.660 1700 1HG LYS 76 2HG LYS 76 -10.937 -1.096 15.795 1701 2HG LYS 76 3HG LYS 76 -9.813 -0.593 14.530 1702 1HD LYS 76 2HD LYS 76 -9.059 1.002 15.884 1703 2HD LYS 76 3HD LYS 76 -10.658 1.748 15.855 1704 1HE LYS 76 2HE LYS 76 -11.071 1.130 17.954 1705 2HE LYS 76 3HE LYS 76 -10.592 -0.535 17.624 1706 1HZ LYS 76 HZ1 LYS 76 -8.332 1.195 17.743 1707 2HZ LYS 76 HZ2 LYS 76 -9.241 1.286 19.170 1708 3HZ LYS 76 HZ3 LYS 76 -8.658 -0.214 18.629 1709 H SER 77 H SER 77 -13.571 -1.313 11.979 1710 HA SER 77 HA SER 77 -15.314 0.914 11.508 1711 1HB SER 77 2HB SER 77 -14.719 -1.508 9.788 1712 2HB SER 77 3HB SER 77 -15.568 -0.053 9.261 1713 HG SER 77 HG SER 77 -12.860 -0.287 10.090 1714 H GLY 78 H GLY 78 -15.661 -2.579 11.978 1715 1HA GLY 78 1HA GLY 78 -17.507 -3.608 13.003 1716 2HA GLY 78 2HA GLY 78 -18.447 -2.145 12.734 1717 H LEU 79 H LEU 79 -16.683 -4.515 10.766 1718 HA LEU 79 HA LEU 79 -18.794 -4.378 8.744 1719 1HB LEU 79 2HB LEU 79 -16.001 -5.473 8.792 1720 2HB LEU 79 3HB LEU 79 -17.129 -5.980 7.549 1721 HG LEU 79 HG LEU 79 -16.729 -3.060 7.981 1722 1HD1 LEU 79 1HD1 LEU 79 -14.547 -4.752 7.585 1723 2HD1 LEU 79 2HD1 LEU 79 -14.913 -4.081 5.996 1724 3HD1 LEU 79 3HD1 LEU 79 -14.603 -3.005 7.359 1725 1HD2 LEU 79 1HD2 LEU 79 -18.345 -4.311 6.347 1726 2HD2 LEU 79 2HD2 LEU 79 -17.471 -2.875 5.815 1727 3HD2 LEU 79 3HD2 LEU 79 -16.892 -4.477 5.362 1728 H ASP 80 H ASP 80 -19.874 -6.294 7.976 1729 HA ASP 80 HA ASP 80 -19.735 -8.541 9.854 1730 1HB ASP 80 2HB ASP 80 -21.891 -8.180 10.351 1731 2HB ASP 80 3HB ASP 80 -21.936 -6.818 9.242 1732 HA PRO 81 HA PRO 81 -18.340 -10.802 6.410 1733 1HB PRO 81 2HB PRO 81 -19.601 -13.106 7.820 1734 2HB PRO 81 3HB PRO 81 -17.943 -12.912 7.230 1735 1HG PRO 81 2HG PRO 81 -18.478 -12.694 9.813 1736 2HG PRO 81 3HG PRO 81 -17.320 -11.594 9.038 1737 1HD PRO 81 2HD PRO 81 -20.142 -11.094 9.878 1738 2HD PRO 81 3HD PRO 81 -18.733 -10.013 9.945 1739 H GLU 82 H GLU 82 -21.705 -10.566 7.025 1740 HA GLU 82 HA GLU 82 -22.394 -12.267 4.751 1741 1HB GLU 82 2HB GLU 82 -23.838 -11.145 7.025 1742 2HB GLU 82 3HB GLU 82 -24.695 -10.988 5.500 1743 1HG GLU 82 2HG GLU 82 -23.550 -13.594 6.442 1744 2HG GLU 82 3HG GLU 82 -25.180 -13.059 6.851 1745 H LYS 83 H LYS 83 -21.372 -9.164 5.306 1746 HA LYS 83 HA LYS 83 -23.009 -7.817 3.361 1747 1HB LYS 83 2HB LYS 83 -20.834 -7.091 5.226 1748 2HB LYS 83 3HB LYS 83 -20.946 -6.120 3.765 1749 1HG LYS 83 2HG LYS 83 -23.108 -5.383 4.291 1750 2HG LYS 83 3HG LYS 83 -23.317 -6.624 5.527 1751 1HD LYS 83 2HD LYS 83 -21.288 -5.470 6.666 1752 2HD LYS 83 3HD LYS 83 -21.705 -4.105 5.628 1753 1HE LYS 83 2HE LYS 83 -22.754 -4.502 8.082 1754 2HE LYS 83 3HE LYS 83 -23.574 -3.624 6.791 1755 1HZ LYS 83 HZ1 LYS 83 -23.901 -6.546 7.163 1756 2HZ LYS 83 HZ2 LYS 83 -24.891 -5.420 7.955 1757 3HZ LYS 83 HZ3 LYS 83 -24.877 -5.486 6.262 1758 HA PRO 84 HA PRO 84 -20.283 -8.791 -0.094 1759 1HB PRO 84 2HB PRO 84 -21.939 -7.049 -1.685 1760 2HB PRO 84 3HB PRO 84 -21.837 -8.809 -1.747 1761 1HG PRO 84 2HG PRO 84 -24.053 -7.431 -0.895 1762 2HG PRO 84 3HG PRO 84 -23.658 -9.085 -0.396 1763 1HD PRO 84 2HD PRO 84 -23.218 -6.507 1.064 1764 2HD PRO 84 3HD PRO 84 -23.759 -8.083 1.687 1765 H VAL 85 H VAL 85 -18.416 -7.677 -0.246 1766 HA VAL 85 HA VAL 85 -18.573 -4.739 -0.143 1767 HB VAL 85 HB VAL 85 -16.356 -4.816 1.046 1768 1HG1 VAL 85 1HG1 VAL 85 -18.810 -4.702 2.050 1769 2HG1 VAL 85 2HG1 VAL 85 -18.291 -6.212 2.802 1770 3HG1 VAL 85 3HG1 VAL 85 -17.374 -4.731 3.075 1771 1HG2 VAL 85 1HG2 VAL 85 -15.997 -7.266 0.381 1772 2HG2 VAL 85 2HG2 VAL 85 -15.536 -6.777 2.011 1773 3HG2 VAL 85 3HG2 VAL 85 -17.047 -7.649 1.745 1774 H VAL 86 H VAL 86 -16.913 -3.569 -1.170 1775 HA VAL 86 HA VAL 86 -15.321 -5.094 -3.117 1776 HB VAL 86 HB VAL 86 -16.957 -4.089 -4.487 1777 1HG1 VAL 86 1HG1 VAL 86 -16.654 -1.612 -2.802 1778 2HG1 VAL 86 2HG1 VAL 86 -17.581 -1.681 -4.301 1779 3HG1 VAL 86 3HG1 VAL 86 -18.059 -2.670 -2.921 1780 1HG2 VAL 86 1HG2 VAL 86 -14.476 -3.552 -5.016 1781 2HG2 VAL 86 2HG2 VAL 86 -15.749 -2.721 -5.911 1782 3HG2 VAL 86 3HG2 VAL 86 -14.918 -1.902 -4.589 1783 H VAL 87 H VAL 87 -13.211 -4.363 -3.394 1784 HA VAL 87 HA VAL 87 -12.337 -2.393 -1.393 1785 HB VAL 87 HB VAL 87 -10.031 -3.432 -1.830 1786 1HG1 VAL 87 1HG1 VAL 87 -12.310 -4.597 -0.338 1787 2HG1 VAL 87 2HG1 VAL 87 -10.846 -5.574 -0.471 1788 3HG1 VAL 87 3HG1 VAL 87 -10.770 -3.966 0.249 1789 1HG2 VAL 87 1HG2 VAL 87 -11.799 -5.475 -3.156 1790 2HG2 VAL 87 2HG2 VAL 87 -10.377 -4.669 -3.816 1791 3HG2 VAL 87 3HG2 VAL 87 -10.198 -5.861 -2.528 1792 H PHE 88 H PHE 88 -11.669 -0.486 -2.073 1793 HA PHE 88 HA PHE 88 -11.250 -0.060 -4.926 1794 1HB PHE 88 2HB PHE 88 -12.647 1.406 -3.185 1795 2HB PHE 88 3HB PHE 88 -11.081 2.170 -2.945 1796 HD1 PHE 88 HD1 PHE 88 -12.196 0.805 -6.186 1797 HD2 PHE 88 HD2 PHE 88 -11.723 4.312 -3.813 1798 HE1 PHE 88 HE1 PHE 88 -12.514 2.195 -8.175 1799 HE2 PHE 88 HE2 PHE 88 -12.036 5.697 -5.799 1800 HZ PHE 88 HZ PHE 88 -12.433 4.642 -7.989 1801 H CYS 89 H CYS 89 -9.303 0.029 -5.806 1802 HA CYS 89 HA CYS 89 -7.039 -0.057 -3.976 1803 1HB CYS 89 2HB CYS 89 -5.957 -1.401 -5.573 1804 2HB CYS 89 3HB CYS 89 -7.637 -1.921 -5.610 1805 H LYS 90 H LYS 90 -5.009 0.257 -5.703 1806 HA LYS 90 HA LYS 90 -4.506 2.141 -7.448 1807 1HB LYS 90 2HB LYS 90 -5.660 3.579 -5.324 1808 2HB LYS 90 3HB LYS 90 -3.934 3.888 -5.203 1809 1HG LYS 90 2HG LYS 90 -4.518 4.146 -7.911 1810 2HG LYS 90 3HG LYS 90 -5.862 4.923 -7.075 1811 1HD LYS 90 2HD LYS 90 -4.118 6.158 -5.709 1812 2HD LYS 90 3HD LYS 90 -2.925 5.549 -6.858 1813 1HE LYS 90 2HE LYS 90 -3.512 7.042 -8.414 1814 2HE LYS 90 3HE LYS 90 -5.232 6.743 -8.166 1815 1HZ LYS 90 HZ1 LYS 90 -3.562 8.438 -6.384 1816 2HZ LYS 90 HZ2 LYS 90 -4.522 9.043 -7.646 1817 3HZ LYS 90 HZ3 LYS 90 -5.246 8.254 -6.335 1818 H THR 91 H THR 91 -3.827 0.712 -4.456 1819 HA THR 91 HA THR 91 -0.925 0.885 -4.896 1820 HB THR 91 HB THR 91 -1.993 -0.334 -2.407 1821 HG1 THR 91 HG1 THR 91 -2.567 2.241 -3.248 1822 1HG2 THR 91 1HG2 THR 91 0.472 0.699 -3.366 1823 2HG2 THR 91 2HG2 THR 91 -0.040 1.716 -2.020 1824 3HG2 THR 91 3HG2 THR 91 0.133 -0.025 -1.793 1825 H ALA 92 H ALA 92 -2.930 -0.730 -6.309 1826 HA ALA 92 HA ALA 92 -3.288 -2.801 -7.132 1827 1HB ALA 92 1HB ALA 92 -0.442 -2.353 -6.897 1828 2HB ALA 92 2HB ALA 92 -0.844 -4.070 -6.915 1829 3HB ALA 92 3HB ALA 92 -1.377 -3.026 -8.232 1830 H ALA 93 H ALA 93 -0.834 -4.373 -5.413 1831 HA ALA 93 HA ALA 93 -2.331 -6.528 -4.748 1832 1HB ALA 93 1HB ALA 93 0.332 -5.575 -4.116 1833 2HB ALA 93 2HB ALA 93 -0.331 -6.631 -2.868 1834 3HB ALA 93 3HB ALA 93 -0.227 -7.194 -4.536 1835 H ARG 94 H ARG 94 -2.014 -3.638 -2.759 1836 HA ARG 94 HA ARG 94 -2.717 -4.933 -0.357 1837 1HB ARG 94 2HB ARG 94 -1.703 -2.523 -0.827 1838 2HB ARG 94 3HB ARG 94 -3.387 -2.056 -0.624 1839 1HG ARG 94 2HG ARG 94 -1.496 -2.485 1.385 1840 2HG ARG 94 3HG ARG 94 -3.228 -2.221 1.587 1841 1HD ARG 94 2HD ARG 94 -3.520 -4.715 1.278 1842 2HD ARG 94 3HD ARG 94 -1.767 -4.853 1.388 1843 HE ARG 94 HE ARG 94 -2.921 -3.432 3.601 1844 1HH1 ARG 94 1HH1 ARG 94 -2.241 -6.627 2.337 1845 2HH1 ARG 94 2HH1 ARG 94 -2.167 -7.374 3.897 1846 1HH2 ARG 94 1HH2 ARG 94 -2.803 -4.427 5.678 1847 2HH2 ARG 94 2HH2 ARG 94 -2.485 -6.124 5.796 1848 H ALA 95 H ALA 95 -4.739 -3.559 -2.889 1849 HA ALA 95 HA ALA 95 -7.158 -3.642 -1.347 1850 1HB ALA 95 1HB ALA 95 -6.523 -2.638 -3.819 1851 2HB ALA 95 2HB ALA 95 -7.480 -4.064 -4.220 1852 3HB ALA 95 3HB ALA 95 -8.158 -2.812 -3.178 1853 H ALA 96 H ALA 96 -5.606 -5.767 -3.687 1854 HA ALA 96 HA ALA 96 -7.421 -7.897 -3.605 1855 1HB ALA 96 1HB ALA 96 -5.316 -7.392 -5.113 1856 2HB ALA 96 2HB ALA 96 -4.522 -8.448 -3.945 1857 3HB ALA 96 3HB ALA 96 -5.902 -9.037 -4.872 1858 H LEU 97 H LEU 97 -4.750 -7.030 -1.495 1859 HA LEU 97 HA LEU 97 -4.766 -9.502 -0.052 1860 1HB LEU 97 2HB LEU 97 -3.283 -7.004 0.046 1861 2HB LEU 97 3HB LEU 97 -3.679 -7.595 1.651 1862 HG LEU 97 HG LEU 97 -1.458 -8.338 0.867 1863 1HD1 LEU 97 1HD1 LEU 97 -2.780 -9.644 2.500 1864 2HD1 LEU 97 2HD1 LEU 97 -3.403 -10.618 1.166 1865 3HD1 LEU 97 3HD1 LEU 97 -1.679 -10.632 1.539 1866 1HD2 LEU 97 1HD2 LEU 97 -2.900 -8.943 -1.510 1867 2HD2 LEU 97 2HD2 LEU 97 -1.163 -9.054 -1.209 1868 3HD2 LEU 97 3HD2 LEU 97 -2.207 -10.439 -0.877 1869 H ALA 98 H ALA 98 -6.356 -6.384 0.308 1870 HA ALA 98 HA ALA 98 -7.389 -6.918 2.915 1871 1HB ALA 98 1HB ALA 98 -7.133 -4.638 1.966 1872 2HB ALA 98 2HB ALA 98 -8.454 -4.995 0.851 1873 3HB ALA 98 3HB ALA 98 -8.752 -4.962 2.589 1874 H GLY 99 H GLY 99 -8.663 -7.192 -0.370 1875 1HA GLY 99 1HA GLY 99 -11.244 -8.076 0.488 1876 2HA GLY 99 2HA GLY 99 -10.636 -8.085 -1.158 1877 H LYS 100 H LYS 100 -8.546 -9.796 -1.102 1878 HA LYS 100 HA LYS 100 -9.884 -12.236 -1.209 1879 1HB LYS 100 2HB LYS 100 -8.046 -12.997 -2.265 1880 2HB LYS 100 3HB LYS 100 -7.563 -11.307 -2.231 1881 1HG LYS 100 2HG LYS 100 -6.001 -11.646 -0.574 1882 2HG LYS 100 3HG LYS 100 -6.797 -13.101 0.031 1883 1HD LYS 100 2HD LYS 100 -5.695 -13.106 -2.740 1884 2HD LYS 100 3HD LYS 100 -4.581 -13.258 -1.378 1885 1HE LYS 100 2HE LYS 100 -7.025 -14.981 -1.585 1886 2HE LYS 100 3HE LYS 100 -5.543 -15.403 -2.441 1887 1HZ LYS 100 HZ1 LYS 100 -5.235 -14.736 0.370 1888 2HZ LYS 100 HZ2 LYS 100 -6.083 -16.170 0.051 1889 3HZ LYS 100 HZ3 LYS 100 -4.506 -15.968 -0.539 1890 H THR 101 H THR 101 -8.016 -10.822 1.386 1891 HA THR 101 HA THR 101 -7.942 -13.222 2.958 1892 HB THR 101 HB THR 101 -7.628 -10.397 3.983 1893 HG1 THR 101 HG1 THR 101 -5.989 -10.429 2.601 1894 1HG2 THR 101 1HG2 THR 101 -7.430 -13.025 5.150 1895 2HG2 THR 101 2HG2 THR 101 -5.878 -12.194 5.233 1896 3HG2 THR 101 3HG2 THR 101 -7.319 -11.446 5.927 1897 H LEU 102 H LEU 102 -10.097 -10.462 2.638 1898 HA LEU 102 HA LEU 102 -11.710 -10.964 4.895 1899 1HB LEU 102 2HB LEU 102 -11.899 -9.352 2.441 1900 2HB LEU 102 3HB LEU 102 -13.441 -9.837 3.122 1901 HG LEU 102 HG LEU 102 -11.295 -8.172 4.428 1902 1HD1 LEU 102 1HD1 LEU 102 -13.718 -7.616 3.000 1903 2HD1 LEU 102 2HD1 LEU 102 -13.855 -7.047 4.662 1904 3HD1 LEU 102 3HD1 LEU 102 -12.524 -6.493 3.649 1905 1HD2 LEU 102 1HD2 LEU 102 -13.752 -9.416 5.650 1906 2HD2 LEU 102 2HD2 LEU 102 -12.072 -9.694 6.111 1907 3HD2 LEU 102 3HD2 LEU 102 -12.816 -8.120 6.395 1908 H ARG 103 H ARG 103 -12.109 -11.941 1.481 1909 HA ARG 103 HA ARG 103 -14.462 -13.464 1.928 1910 1HB ARG 103 2HB ARG 103 -13.937 -14.536 -0.266 1911 2HB ARG 103 3HB ARG 103 -13.957 -12.781 -0.318 1912 1HG ARG 103 2HG ARG 103 -12.039 -13.054 -1.453 1913 2HG ARG 103 3HG ARG 103 -11.346 -13.220 0.153 1914 1HD ARG 103 2HD ARG 103 -10.578 -15.171 -0.496 1915 2HD ARG 103 3HD ARG 103 -12.236 -15.747 -0.448 1916 HE ARG 103 HE ARG 103 -10.701 -14.966 -2.827 1917 1HH1 ARG 103 1HH1 ARG 103 -13.679 -16.221 -1.445 1918 2HH1 ARG 103 2HH1 ARG 103 -14.276 -16.807 -2.958 1919 1HH2 ARG 103 1HH2 ARG 103 -11.495 -15.735 -4.807 1920 2HH2 ARG 103 2HH2 ARG 103 -13.043 -16.536 -4.871 1921 H GLU 104 H GLU 104 -11.104 -14.093 2.378 1922 HA GLU 104 HA GLU 104 -11.191 -16.928 2.475 1923 1HB GLU 104 2HB GLU 104 -9.214 -15.099 2.323 1924 2HB GLU 104 3HB GLU 104 -9.138 -15.484 4.035 1925 1HG GLU 104 2HG GLU 104 -8.498 -17.645 3.663 1926 2HG GLU 104 3HG GLU 104 -9.206 -17.696 2.050 1927 H TYR 105 H TYR 105 -12.451 -14.637 4.581 1928 HA TYR 105 HA TYR 105 -12.174 -16.482 6.861 1929 1HB TYR 105 HB2 TYR 105 -12.626 -13.494 6.844 1930 2HB TYR 105 HB3 TYR 105 -12.707 -14.493 8.295 1931 HD1 TYR 105 HD1 TYR 105 -10.398 -16.363 7.320 1932 HD2 TYR 105 HD2 TYR 105 -10.785 -12.140 7.692 1933 HE1 TYR 105 HE1 TYR 105 -7.960 -16.171 7.559 1934 HE2 TYR 105 HE2 TYR 105 -8.343 -11.942 7.928 1935 HH TYR 105 HH TYR 105 -6.413 -13.596 8.734 1936 H GLY 106 H GLY 106 -14.299 -15.416 4.543 1937 1HA GLY 106 1HA GLY 106 -16.344 -16.745 4.498 1938 2HA GLY 106 2HA GLY 106 -16.548 -16.366 6.200 1939 H PHE 107 H PHE 107 -15.853 -14.347 3.355 1940 HA PHE 107 HA PHE 107 -18.120 -12.658 4.132 1941 1HB PHE 107 2HB PHE 107 -15.526 -12.127 2.860 1942 2HB PHE 107 3HB PHE 107 -16.882 -11.330 2.067 1943 HD1 PHE 107 HD1 PHE 107 -15.553 -11.921 5.504 1944 HD2 PHE 107 HD2 PHE 107 -17.497 -9.252 2.820 1945 HE1 PHE 107 HE1 PHE 107 -15.539 -10.173 7.239 1946 HE2 PHE 107 HE2 PHE 107 -17.490 -7.502 4.552 1947 HZ PHE 107 HZ PHE 107 -16.510 -7.963 6.764 1948 H LYS 108 H LYS 108 -19.685 -12.079 2.619 1949 HA LYS 108 HA LYS 108 -20.602 -14.183 1.036 1950 1HB LYS 108 2HB LYS 108 -21.767 -12.036 2.110 1951 2HB LYS 108 3HB LYS 108 -21.576 -11.425 0.473 1952 1HG LYS 108 2HG LYS 108 -22.739 -13.525 -0.309 1953 2HG LYS 108 3HG LYS 108 -23.131 -13.824 1.384 1954 1HD LYS 108 2HD LYS 108 -23.949 -11.283 1.198 1955 2HD LYS 108 3HD LYS 108 -24.184 -11.777 -0.479 1956 1HE LYS 108 2HE LYS 108 -25.978 -13.004 0.034 1957 2HE LYS 108 3HE LYS 108 -25.163 -13.757 1.404 1958 1HZ LYS 108 HZ1 LYS 108 -25.932 -10.994 1.809 1959 2HZ LYS 108 HZ2 LYS 108 -27.227 -12.068 1.618 1960 3HZ LYS 108 HZ3 LYS 108 -26.084 -12.331 2.846 1961 H THR 109 H THR 109 -20.510 -11.066 -0.529 1962 HA THR 109 HA THR 109 -19.004 -12.279 -2.748 1963 HB THR 109 HB THR 109 -20.840 -9.955 -3.168 1964 HG1 THR 109 HG1 THR 109 -21.604 -12.679 -2.829 1965 1HG2 THR 109 1HG2 THR 109 -19.581 -12.112 -4.772 1966 2HG2 THR 109 2HG2 THR 109 -21.183 -11.568 -5.274 1967 3HG2 THR 109 3HG2 THR 109 -19.851 -10.415 -5.173 1968 H ILE 110 H ILE 110 -17.090 -11.402 -3.126 1969 HA ILE 110 HA ILE 110 -16.614 -8.665 -2.149 1970 HB ILE 110 HB ILE 110 -15.521 -10.595 -0.902 1971 1HG1 ILE 110 2HG1 ILE 110 -13.272 -8.919 -1.725 1972 2HG1 ILE 110 3HG1 ILE 110 -14.733 -8.010 -1.348 1973 1HG2 ILE 110 1HG2 ILE 110 -13.999 -10.747 -3.475 1974 2HG2 ILE 110 2HG2 ILE 110 -13.260 -11.224 -1.948 1975 3HG2 ILE 110 3HG2 ILE 110 -14.709 -12.050 -2.519 1976 1HD1 ILE 110 1HD1 ILE 110 -14.138 -10.087 0.604 1977 2HD1 ILE 110 2HD1 ILE 110 -12.872 -8.868 0.458 1978 3HD1 ILE 110 3HD1 ILE 110 -14.523 -8.381 0.835 1979 H TYR 111 H TYR 111 -15.884 -7.194 -3.527 1980 HA TYR 111 HA TYR 111 -15.025 -8.105 -6.198 1981 1HB TYR 111 HB2 TYR 111 -16.145 -5.364 -5.678 1982 2HB TYR 111 HB3 TYR 111 -16.113 -6.280 -7.178 1983 HD1 TYR 111 HD1 TYR 111 -17.786 -6.014 -3.876 1984 HD2 TYR 111 HD2 TYR 111 -17.940 -7.631 -7.812 1985 HE1 TYR 111 HE1 TYR 111 -20.117 -6.694 -3.501 1986 HE2 TYR 111 HE2 TYR 111 -20.271 -8.325 -7.437 1987 HH TYR 111 HH TYR 111 -22.016 -8.270 -6.064 1988 H ASN 112 H ASN 112 -13.320 -6.985 -7.211 1989 HA ASN 112 HA ASN 112 -11.759 -5.220 -5.436 1990 1HB ASN 112 2HB ASN 112 -10.794 -7.554 -6.187 1991 2HB ASN 112 3HB ASN 112 -10.509 -6.726 -7.714 1992 1HD2 ASN 112 1HD2 ASN 112 -8.743 -7.803 -5.509 1993 2HD2 ASN 112 2HD2 ASN 112 -7.663 -6.491 -5.168 1994 H SER 113 H SER 113 -11.005 -3.326 -6.327 1995 HA SER 113 HA SER 113 -12.619 -2.379 -8.468 1996 1HB SER 113 2HB SER 113 -11.926 -0.240 -7.828 1997 2HB SER 113 3HB SER 113 -11.844 -1.159 -6.324 1998 HG SER 113 HG SER 113 -9.524 -1.307 -7.740 1999 H GLU 114 H GLU 114 -12.147 -1.965 -10.489 2000 HA GLU 114 HA GLU 114 -9.566 -2.799 -11.540 2001 1HB GLU 114 2HB GLU 114 -12.263 -2.306 -12.662 2002 2HB GLU 114 3HB GLU 114 -10.905 -1.942 -13.720 2003 1HG GLU 114 2HG GLU 114 -10.988 -4.553 -12.294 2004 2HG GLU 114 3HG GLU 114 -11.989 -4.308 -13.725 2005 H GLY 115 H GLY 115 -7.961 -1.437 -11.907 2006 1HA GLY 115 1HA GLY 115 -7.020 0.522 -12.849 2007 2HA GLY 115 2HA GLY 115 -8.560 1.338 -12.619 2008 H GLY 116 H GLY 116 -9.166 1.903 -10.399 2009 1HA GLY 116 1HA GLY 116 -7.896 1.730 -8.088 2010 2HA GLY 116 2HA GLY 116 -6.800 2.795 -8.951 2011 H MET 117 H MET 117 -7.525 3.987 -6.895 2012 HA MET 117 HA MET 117 -10.073 5.090 -6.640 2013 1HB MET 117 2HB MET 117 -8.896 5.311 -4.697 2014 2HB MET 117 3HB MET 117 -7.381 5.629 -5.523 2015 1HG MET 117 2HG MET 117 -9.327 7.775 -5.824 2016 2HG MET 117 3HG MET 117 -8.879 7.458 -4.148 2017 1HE MET 117 1HE MET 117 -7.544 8.591 -3.125 2018 2HE MET 117 2HE MET 117 -5.826 8.824 -3.450 2019 3HE MET 117 3HE MET 117 -6.985 10.073 -3.900 2020 H ASP 118 H ASP 118 -7.414 6.050 -8.650 2021 HA ASP 118 HA ASP 118 -8.252 8.705 -9.191 2022 1HB ASP 118 2HB ASP 118 -6.742 8.508 -11.172 2023 2HB ASP 118 3HB ASP 118 -5.968 8.066 -9.651 2024 H LYS 119 H LYS 119 -9.259 5.582 -10.313 2025 HA LYS 119 HA LYS 119 -10.475 6.460 -12.738 2026 1HB LYS 119 2HB LYS 119 -10.258 3.971 -11.207 2027 2HB LYS 119 3HB LYS 119 -11.808 4.166 -12.014 2028 1HG LYS 119 2HG LYS 119 -10.547 3.049 -13.591 2029 2HG LYS 119 3HG LYS 119 -10.394 4.734 -14.097 2030 1HD LYS 119 2HD LYS 119 -8.298 4.611 -12.463 2031 2HD LYS 119 3HD LYS 119 -8.378 2.908 -12.920 2032 1HE LYS 119 2HE LYS 119 -7.200 3.497 -14.721 2033 2HE LYS 119 3HE LYS 119 -8.700 4.206 -15.318 2034 1HZ LYS 119 HZ1 LYS 119 -7.061 5.838 -13.531 2035 2HZ LYS 119 HZ2 LYS 119 -6.482 5.589 -15.105 2036 3HZ LYS 119 HZ3 LYS 119 -8.007 6.296 -14.871 2037 H TRP 120 H TRP 120 -11.471 6.195 -9.395 2038 HA TRP 120 HA TRP 120 -14.252 6.447 -9.687 2039 1HB TRP 120 HB2 TRP 120 -12.804 6.069 -7.564 2040 2HB TRP 120 HB3 TRP 120 -12.731 7.824 -7.487 2041 HD1 TRP 120 HD1 TRP 120 -14.820 9.083 -6.640 2042 HE1 TRP 120 HE1 TRP 120 -17.070 8.372 -5.619 2043 HE3 TRP 120 HE3 TRP 120 -14.590 4.072 -7.617 2044 HZ2 TRP 120 HZ2 TRP 120 -18.535 5.994 -5.250 2045 HZ3 TRP 120 HZ3 TRP 120 -16.454 2.646 -6.881 2046 HH2 TRP 120 HH2 TRP 120 -18.383 3.588 -5.719 2047 H LEU 121 H LEU 121 -11.723 8.933 -9.378 2048 HA LEU 121 HA LEU 121 -13.423 11.162 -9.738 2049 1HB LEU 121 2HB LEU 121 -10.591 10.619 -9.469 2050 2HB LEU 121 3HB LEU 121 -10.879 11.826 -10.706 2051 HG LEU 121 HG LEU 121 -11.280 11.997 -7.759 2052 1HD1 LEU 121 1HD1 LEU 121 -9.360 12.993 -9.028 2053 2HD1 LEU 121 2HD1 LEU 121 -10.519 14.080 -9.794 2054 3HD1 LEU 121 3HD1 LEU 121 -10.282 14.134 -8.046 2055 1HD2 LEU 121 1HD2 LEU 121 -13.098 13.214 -9.805 2056 2HD2 LEU 121 2HD2 LEU 121 -13.489 12.516 -8.232 2057 3HD2 LEU 121 3HD2 LEU 121 -12.713 14.097 -8.327 2058 H GLU 122 H GLU 122 -11.591 9.098 -11.942 2059 HA GLU 122 HA GLU 122 -11.887 10.726 -14.229 2060 1HB GLU 122 2HB GLU 122 -11.209 7.831 -13.831 2061 2HB GLU 122 3HB GLU 122 -11.402 8.499 -15.447 2062 1HG GLU 122 2HG GLU 122 -9.729 10.308 -14.574 2063 2HG GLU 122 3HG GLU 122 -9.320 9.060 -13.397 2064 H GLU 123 H GLU 123 -13.851 8.012 -13.031 2065 HA GLU 123 HA GLU 123 -15.530 7.954 -15.341 2066 1HB GLU 123 2HB GLU 123 -16.298 6.876 -12.636 2067 2HB GLU 123 3HB GLU 123 -16.812 6.312 -14.219 2068 1HG GLU 123 2HG GLU 123 -13.937 6.161 -13.416 2069 2HG GLU 123 3HG GLU 123 -15.089 4.944 -12.869 2070 H GLY 124 H GLY 124 -15.293 10.134 -12.841 2071 1HA GLY 124 1HA GLY 124 -16.546 12.046 -12.472 2072 2HA GLY 124 2HA GLY 124 -17.716 11.462 -13.646 2073 H LEU 125 H LEU 125 -16.737 9.447 -11.006 2074 HA LEU 125 HA LEU 125 -19.455 9.294 -10.089 2075 1HB LEU 125 2HB LEU 125 -16.967 8.000 -8.969 2076 2HB LEU 125 3HB LEU 125 -18.621 7.566 -8.582 2077 HG LEU 125 HG LEU 125 -17.403 7.314 -11.333 2078 1HD1 LEU 125 1HD1 LEU 125 -16.898 5.757 -9.077 2079 2HD1 LEU 125 2HD1 LEU 125 -18.065 4.839 -10.031 2080 3HD1 LEU 125 3HD1 LEU 125 -16.544 5.357 -10.758 2081 1HD2 LEU 125 1HD2 LEU 125 -20.084 7.288 -10.450 2082 2HD2 LEU 125 2HD2 LEU 125 -19.459 6.882 -12.050 2083 3HD2 LEU 125 3HD2 LEU 125 -19.647 5.621 -10.830 2084 HA PRO 126 HA PRO 126 -19.574 12.098 -6.714 2085 1HB PRO 126 2HB PRO 126 -20.360 10.489 -4.609 2086 2HB PRO 126 3HB PRO 126 -21.458 11.162 -5.821 2087 1HG PRO 126 2HG PRO 126 -20.172 8.450 -5.725 2088 2HG PRO 126 3HG PRO 126 -21.860 8.877 -6.099 2089 1HD PRO 126 2HD PRO 126 -20.184 8.312 -8.068 2090 2HD PRO 126 3HD PRO 126 -21.298 9.690 -8.232 2091 H SER 127 H SER 127 -17.714 12.898 -5.919 2092 HA SER 127 HA SER 127 -16.071 11.135 -4.245 2093 1HB SER 127 2HB SER 127 -14.403 13.112 -5.352 2094 2HB SER 127 3HB SER 127 -14.435 11.397 -5.767 2095 HG SER 127 HG SER 127 -16.080 11.918 -7.325 2096 H LEU 128 H LEU 128 -15.017 12.128 -2.494 2097 HA LEU 128 HA LEU 128 -16.212 14.638 -1.595 2098 1HB LEU 128 2HB LEU 128 -14.932 12.327 -0.325 2099 2HB LEU 128 3HB LEU 128 -14.369 13.861 0.306 2100 HG LEU 128 HG LEU 128 -17.311 13.371 0.099 2101 1HD1 LEU 128 1HD1 LEU 128 -15.464 11.794 1.667 2102 2HD1 LEU 128 2HD1 LEU 128 -16.596 12.677 2.693 2103 3HD1 LEU 128 3HD1 LEU 128 -17.203 11.599 1.437 2104 1HD2 LEU 128 1HD2 LEU 128 -16.094 15.562 0.778 2105 2HD2 LEU 128 2HD2 LEU 128 -17.474 15.009 1.725 2106 3HD2 LEU 128 3HD2 LEU 128 -15.835 14.736 2.313 2107 H ASP 129 H ASP 129 -15.253 16.228 -2.707 2108 HA ASP 129 HA ASP 129 -12.330 16.435 -2.561 2109 1HB ASP 129 2HB ASP 129 -12.309 15.917 -4.754 2110 2HB ASP 129 3HB ASP 129 -14.042 16.147 -4.913 2111 H ARG 130 H ARG 130 -11.567 18.377 -2.092 2112 HA ARG 130 HA ARG 130 -13.418 20.661 -2.103 2113 1HB ARG 130 2HB ARG 130 -12.899 19.575 0.213 2114 2HB ARG 130 3HB ARG 130 -11.324 20.341 0.036 2115 1HG ARG 130 2HG ARG 130 -12.140 22.414 0.377 2116 2HG ARG 130 3HG ARG 130 -13.667 22.064 -0.432 2117 1HD ARG 130 2HD ARG 130 -12.853 21.343 2.377 2118 2HD ARG 130 3HD ARG 130 -14.141 22.436 1.876 2119 HE ARG 130 HE ARG 130 -14.277 19.580 2.093 2120 1HH1 ARG 130 1HH1 ARG 130 -15.643 22.370 0.463 2121 2HH1 ARG 130 2HH1 ARG 130 -17.163 21.586 0.134 2122 1HH2 ARG 130 1HH2 ARG 130 -16.278 18.565 1.680 2123 2HH2 ARG 130 2HH2 ARG 130 -17.523 19.422 0.834 2124 H SER 131 H SER 131 -12.293 20.854 -4.202 2125 HA SER 131 HA SER 131 -9.532 21.270 -4.373 2126 1HB SER 131 2HB SER 131 -10.954 22.622 -6.490 2127 2HB SER 131 3HB SER 131 -9.996 21.139 -6.558 2128 HG SER 131 HG SER 131 -11.826 19.965 -5.919 2129 H HIS 132 H HIS 132 -12.069 23.391 -3.422 2130 HA HIS 132 HA HIS 132 -10.438 25.764 -3.859 2131 1HB HIS 132 2HB HIS 132 -13.206 25.329 -3.741 2132 2HB HIS 132 3HB HIS 132 -12.818 26.238 -2.282 2133 HD1 HIS 132 HD1 HIS 132 -13.913 28.408 -3.126 2134 HD2 HIS 132 HD2 HIS 132 -10.902 26.962 -5.605 2135 HE1 HIS 132 HE1 HIS 132 -13.399 30.273 -4.730 2136 HE2 HIS 132 HE2 HIS 132 -11.406 29.460 -6.047 2137 H HIS 133 H HIS 133 -8.871 26.098 -2.483 2138 HA HIS 133 HA HIS 133 -8.871 25.008 0.164 2139 1HB HIS 133 2HB HIS 133 -6.985 26.524 -1.549 2140 2HB HIS 133 3HB HIS 133 -6.767 26.705 0.188 2141 HD1 HIS 133 HD1 HIS 133 -6.305 24.308 -2.612 2142 HD2 HIS 133 HD2 HIS 133 -6.009 24.319 1.539 2143 HE1 HIS 133 HE1 HIS 133 -5.032 22.222 -2.013 2144 HE2 HIS 133 HE2 HIS 133 -4.726 22.332 0.485 2145 H HIS 134 H HIS 134 -10.388 25.873 1.470 2146 HA HIS 134 HA HIS 134 -11.060 28.629 1.566 2147 1HB HIS 134 2HB HIS 134 -12.754 27.220 2.363 2148 2HB HIS 134 3HB HIS 134 -11.637 26.259 3.324 2149 HD1 HIS 134 HD1 HIS 134 -11.971 26.619 5.744 2150 HD2 HIS 134 HD2 HIS 134 -12.782 30.065 3.557 2151 HE1 HIS 134 HE1 HIS 134 -12.633 28.355 7.433 2152 HE2 HIS 134 HE2 HIS 134 -12.888 30.484 6.114 2153 H HIS 135 H HIS 135 -9.525 30.044 2.020 2154 HA HIS 135 HA HIS 135 -8.536 30.329 4.654 2155 1HB HIS 135 2HB HIS 135 -6.883 28.745 2.904 2156 2HB HIS 135 3HB HIS 135 -6.064 30.259 3.266 2157 HD1 HIS 135 HD1 HIS 135 -7.934 27.615 5.280 2158 HD2 HIS 135 HD2 HIS 135 -4.554 30.029 5.507 2159 HE1 HIS 135 HE1 HIS 135 -6.824 27.023 7.460 2160 HE2 HIS 135 HE2 HIS 135 -4.816 28.533 7.611 2161 H HIS 136 H HIS 136 -8.826 32.457 4.786 2162 HA HIS 136 HA HIS 136 -7.503 34.137 2.799 2163 1HB HIS 136 2HB HIS 136 -9.451 35.669 2.662 2164 2HB HIS 136 3HB HIS 136 -9.777 34.084 1.983 2165 HD1 HIS 136 HD1 HIS 136 -12.250 33.958 2.288 2166 HD2 HIS 136 HD2 HIS 136 -10.282 35.044 5.792 2167 HE1 HIS 136 HE1 HIS 136 -14.004 33.934 4.092 2168 HE2 HIS 136 HE2 HIS 136 -12.815 34.683 6.182 2169 H HIS 137 H HIS 137 -7.551 36.499 3.544 2170 HA HIS 137 HA HIS 137 -7.775 37.005 6.353 2171 1HB HIS 137 2HB HIS 137 -5.583 35.681 6.047 2172 2HB HIS 137 3HB HIS 137 -4.974 37.117 5.235 2173 HD1 HIS 137 HD1 HIS 137 -6.199 39.243 7.173 2174 HD2 HIS 137 HD2 HIS 137 -4.141 35.829 8.349 2175 HE1 HIS 137 HE1 HIS 137 -5.306 39.745 9.474 2176 HE2 HIS 137 HE2 HIS 137 -3.854 37.763 10.041 Start of MODEL 5 1 1H ALA 1 H1 ALA 1 -24.960 -7.150 18.479 2 2H ALA 1 H2 ALA 1 -24.667 -8.403 17.378 3 3H ALA 1 H3 ALA 1 -24.498 -8.685 19.041 4 HA ALA 1 HA ALA 1 -22.872 -6.528 18.431 5 1HB ALA 1 1HB ALA 1 -22.277 -9.406 19.096 6 2HB ALA 1 2HB ALA 1 -21.065 -8.125 19.068 7 3HB ALA 1 3HB ALA 1 -22.402 -8.049 20.215 8 H ASP 2 H ASP 2 -20.620 -7.084 17.317 9 HA ASP 2 HA ASP 2 -21.258 -8.000 14.591 10 1HB ASP 2 2HB ASP 2 -19.619 -6.446 13.740 11 2HB ASP 2 3HB ASP 2 -20.714 -5.564 14.800 12 H MET 3 H MET 3 -19.461 -8.974 13.401 13 HA MET 3 HA MET 3 -18.010 -10.798 15.138 14 1HB MET 3 2HB MET 3 -19.086 -10.887 12.456 15 2HB MET 3 3HB MET 3 -17.408 -11.415 12.473 16 1HG MET 3 2HG MET 3 -18.569 -12.685 14.652 17 2HG MET 3 3HG MET 3 -19.780 -12.777 13.375 18 1HE MET 3 1HE MET 3 -18.477 -15.021 14.861 19 2HE MET 3 2HE MET 3 -19.248 -15.785 13.471 20 3HE MET 3 3HE MET 3 -17.559 -16.131 13.847 21 H GLY 4 H GLY 4 -17.338 -7.870 14.374 22 1HA GLY 4 1HA GLY 4 -15.007 -7.710 12.898 23 2HA GLY 4 2HA GLY 4 -15.430 -6.602 14.193 24 H GLU 5 H GLU 5 -15.405 -8.750 16.187 25 HA GLU 5 HA GLU 5 -12.665 -8.599 16.944 26 1HB GLU 5 2HB GLU 5 -14.580 -8.729 18.548 27 2HB GLU 5 3HB GLU 5 -14.821 -10.401 18.062 28 1HG GLU 5 2HG GLU 5 -12.105 -10.132 18.762 29 2HG GLU 5 3HG GLU 5 -13.050 -9.334 20.018 30 H LYS 6 H LYS 6 -14.720 -11.097 15.551 31 HA LYS 6 HA LYS 6 -12.932 -13.223 15.875 32 1HB LYS 6 2HB LYS 6 -15.281 -12.802 14.055 33 2HB LYS 6 3HB LYS 6 -14.335 -14.282 14.003 34 1HG LYS 6 2HG LYS 6 -15.945 -13.208 16.300 35 2HG LYS 6 3HG LYS 6 -16.209 -14.693 15.386 36 1HD LYS 6 2HD LYS 6 -14.148 -15.629 16.272 37 2HD LYS 6 3HD LYS 6 -13.816 -14.126 17.136 38 1HE LYS 6 2HE LYS 6 -16.455 -15.097 17.754 39 2HE LYS 6 3HE LYS 6 -15.249 -16.346 18.059 40 1HZ LYS 6 HZ1 LYS 6 -14.504 -13.724 19.021 41 2HZ LYS 6 HZ2 LYS 6 -15.884 -14.373 19.772 42 3HZ LYS 6 HZ3 LYS 6 -14.426 -15.234 19.791 43 H PHE 7 H PHE 7 -13.674 -11.475 12.804 44 HA PHE 7 HA PHE 7 -11.633 -12.884 11.455 45 1HB PHE 7 2HB PHE 7 -11.906 -11.172 9.624 46 2HB PHE 7 3HB PHE 7 -13.341 -12.079 10.058 47 HD1 PHE 7 HD1 PHE 7 -11.681 -8.854 10.994 48 HD2 PHE 7 HD2 PHE 7 -15.304 -10.920 10.135 49 HE1 PHE 7 HE1 PHE 7 -12.925 -6.741 11.173 50 HE2 PHE 7 HE2 PHE 7 -16.551 -8.806 10.307 51 HZ PHE 7 HZ PHE 7 -15.362 -6.714 10.824 52 H ASP 8 H ASP 8 -11.596 -10.042 13.347 53 HA ASP 8 HA ASP 8 -9.264 -8.768 12.482 54 1HB ASP 8 2HB ASP 8 -10.459 -7.660 14.205 55 2HB ASP 8 3HB ASP 8 -10.416 -9.071 15.255 56 H ALA 9 H ALA 9 -9.596 -11.392 14.874 57 HA ALA 9 HA ALA 9 -6.878 -11.794 15.362 58 1HB ALA 9 1HB ALA 9 -9.326 -12.995 16.107 59 2HB ALA 9 2HB ALA 9 -8.255 -14.278 15.545 60 3HB ALA 9 3HB ALA 9 -7.737 -13.202 16.844 61 H THR 10 H THR 10 -9.027 -13.365 12.961 62 HA THR 10 HA THR 10 -7.095 -15.165 12.002 63 HB THR 10 HB THR 10 -8.971 -14.359 9.957 64 HG1 THR 10 HG1 THR 10 -10.514 -15.384 11.950 65 1HG2 THR 10 1HG2 THR 10 -8.139 -16.777 11.435 66 2HG2 THR 10 2HG2 THR 10 -9.774 -16.799 10.775 67 3HG2 THR 10 3HG2 THR 10 -8.395 -16.538 9.707 68 H PHE 11 H PHE 11 -8.134 -11.982 10.810 69 HA PHE 11 HA PHE 11 -6.474 -11.811 8.573 70 1HB PHE 11 2HB PHE 11 -8.345 -10.186 9.648 71 2HB PHE 11 3HB PHE 11 -6.893 -9.330 10.158 72 HD1 PHE 11 HD1 PHE 11 -5.071 -9.236 8.140 73 HD2 PHE 11 HD2 PHE 11 -9.305 -9.413 7.736 74 HE1 PHE 11 HE1 PHE 11 -4.903 -8.202 5.907 75 HE2 PHE 11 HE2 PHE 11 -9.145 -8.385 5.508 76 HZ PHE 11 HZ PHE 11 -6.941 -7.776 4.592 77 H LYS 12 H LYS 12 -5.921 -10.965 11.926 78 HA LYS 12 HA LYS 12 -3.321 -9.904 11.716 79 1HB LYS 12 2HB LYS 12 -5.069 -9.959 13.668 80 2HB LYS 12 3HB LYS 12 -4.255 -11.452 14.094 81 1HG LYS 12 2HG LYS 12 -3.078 -9.996 15.373 82 2HG LYS 12 3HG LYS 12 -2.111 -9.933 13.898 83 1HD LYS 12 2HD LYS 12 -2.570 -7.694 14.792 84 2HD LYS 12 3HD LYS 12 -3.276 -7.927 13.189 85 1HE LYS 12 2HE LYS 12 -5.177 -8.732 15.150 86 2HE LYS 12 3HE LYS 12 -4.563 -7.138 15.586 87 1HZ LYS 12 HZ1 LYS 12 -4.989 -6.576 13.140 88 2HZ LYS 12 HZ2 LYS 12 -5.961 -7.964 13.129 89 3HZ LYS 12 HZ3 LYS 12 -6.334 -6.691 14.178 90 H ALA 13 H ALA 13 -4.529 -13.174 11.814 91 HA ALA 13 HA ALA 13 -2.058 -14.414 12.524 92 1HB ALA 13 1HB ALA 13 -4.771 -15.280 11.833 93 2HB ALA 13 2HB ALA 13 -3.498 -16.395 11.342 94 3HB ALA 13 3HB ALA 13 -3.645 -15.916 13.031 95 H GLN 14 H GLN 14 -3.794 -13.894 9.494 96 HA GLN 14 HA GLN 14 -1.879 -15.288 7.895 97 1HB GLN 14 2HB GLN 14 -4.266 -13.590 7.359 98 2HB GLN 14 3HB GLN 14 -3.114 -13.831 6.050 99 1HG GLN 14 2HG GLN 14 -3.392 -16.364 6.836 100 2HG GLN 14 3HG GLN 14 -4.965 -15.743 7.333 101 1HE2 GLN 14 1HE2 GLN 14 -6.442 -15.148 5.796 102 2HE2 GLN 14 2HE2 GLN 14 -6.238 -15.475 4.108 103 H VAL 15 H VAL 15 -2.582 -11.848 8.421 104 HA VAL 15 HA VAL 15 -0.646 -10.838 6.693 105 HB VAL 15 HB VAL 15 -2.117 -9.706 9.035 106 1HG1 VAL 15 1HG1 VAL 15 0.467 -8.804 8.349 107 2HG1 VAL 15 2HG1 VAL 15 -0.678 -7.607 7.744 108 3HG1 VAL 15 3HG1 VAL 15 -0.691 -8.058 9.449 109 1HG2 VAL 15 1HG2 VAL 15 -3.053 -9.964 6.694 110 2HG2 VAL 15 2HG2 VAL 15 -3.175 -8.359 7.412 111 3HG2 VAL 15 3HG2 VAL 15 -1.933 -8.692 6.203 112 H LYS 16 H LYS 16 -0.351 -11.665 10.133 113 HA LYS 16 HA LYS 16 2.237 -10.602 10.491 114 1HB LYS 16 2HB LYS 16 0.463 -12.429 11.996 115 2HB LYS 16 3HB LYS 16 2.181 -12.524 12.369 116 1HG LYS 16 2HG LYS 16 2.014 -9.939 12.536 117 2HG LYS 16 3HG LYS 16 0.289 -10.249 12.730 118 1HD LYS 16 2HD LYS 16 1.514 -12.072 14.431 119 2HD LYS 16 3HD LYS 16 2.457 -10.591 14.620 120 1HE LYS 16 2HE LYS 16 -0.509 -10.947 14.998 121 2HE LYS 16 3HE LYS 16 0.693 -10.545 16.224 122 1HZ LYS 16 HZ1 LYS 16 1.115 -8.480 14.838 123 2HZ LYS 16 HZ2 LYS 16 -0.331 -8.833 14.034 124 3HZ LYS 16 HZ3 LYS 16 -0.339 -8.531 15.703 125 H ALA 17 H ALA 17 1.145 -13.613 9.152 126 HA ALA 17 HA ALA 17 3.508 -15.121 9.444 127 1HB ALA 17 1HB ALA 17 1.279 -16.038 8.819 128 2HB ALA 17 2HB ALA 17 1.497 -15.347 7.210 129 3HB ALA 17 3HB ALA 17 2.599 -16.597 7.790 130 H ALA 18 H ALA 18 2.615 -12.588 7.269 131 HA ALA 18 HA ALA 18 4.393 -13.122 5.156 132 1HB ALA 18 1HB ALA 18 2.419 -11.541 5.164 133 2HB ALA 18 2HB ALA 18 3.480 -10.375 5.956 134 3HB ALA 18 3HB ALA 18 3.876 -10.977 4.346 135 H LYS 19 H LYS 19 4.907 -11.492 8.256 136 HA LYS 19 HA LYS 19 7.407 -10.329 7.507 137 1HB LYS 19 2HB LYS 19 7.502 -9.490 9.670 138 2HB LYS 19 3HB LYS 19 5.775 -9.584 9.367 139 1HG LYS 19 2HG LYS 19 5.450 -11.206 10.912 140 2HG LYS 19 3HG LYS 19 7.027 -11.945 10.631 141 1HD LYS 19 2HD LYS 19 7.727 -9.530 11.689 142 2HD LYS 19 3HD LYS 19 6.224 -9.875 12.547 143 1HE LYS 19 2HE LYS 19 7.110 -12.053 13.229 144 2HE LYS 19 3HE LYS 19 8.606 -11.720 12.356 145 1HZ LYS 19 HZ1 LYS 19 7.765 -9.760 14.348 146 2HZ LYS 19 HZ2 LYS 19 8.345 -11.244 14.932 147 3HZ LYS 19 HZ3 LYS 19 9.324 -10.286 13.936 148 H ALA 20 H ALA 20 6.389 -13.420 8.501 149 HA ALA 20 HA ALA 20 8.807 -14.233 9.805 150 1HB ALA 20 1HB ALA 20 6.497 -15.851 8.740 151 2HB ALA 20 2HB ALA 20 7.832 -16.509 9.688 152 3HB ALA 20 3HB ALA 20 6.747 -15.314 10.402 153 H ASP 21 H ASP 21 7.732 -14.108 6.529 154 HA ASP 21 HA ASP 21 9.581 -16.110 5.593 155 1HB ASP 21 2HB ASP 21 7.213 -15.276 4.648 156 2HB ASP 21 3HB ASP 21 8.279 -14.284 3.656 157 H MET 22 H MET 22 10.193 -13.122 6.641 158 HA MET 22 HA MET 22 12.548 -12.913 4.942 159 1HB MET 22 2HB MET 22 12.095 -10.331 4.935 160 2HB MET 22 3HB MET 22 11.374 -11.364 3.712 161 1HG MET 22 2HG MET 22 9.355 -11.461 5.320 162 2HG MET 22 3HG MET 22 10.087 -10.039 6.059 163 1HE MET 22 1HE MET 22 11.461 -8.658 3.987 164 2HE MET 22 2HE MET 22 11.117 -9.333 2.394 165 3HE MET 22 3HE MET 22 10.441 -7.771 2.853 166 H VAL 23 H VAL 23 14.143 -11.361 5.822 167 HA VAL 23 HA VAL 23 14.386 -11.744 8.655 168 HB VAL 23 HB VAL 23 16.178 -10.080 6.883 169 1HG1 VAL 23 1HG1 VAL 23 16.282 -11.020 9.669 170 2HG1 VAL 23 2HG1 VAL 23 17.771 -11.223 8.747 171 3HG1 VAL 23 3HG1 VAL 23 17.047 -9.624 8.910 172 1HG2 VAL 23 1HG2 VAL 23 15.688 -12.587 6.247 173 2HG2 VAL 23 2HG2 VAL 23 17.325 -11.935 6.178 174 3HG2 VAL 23 3HG2 VAL 23 16.820 -12.909 7.561 175 H MET 24 H MET 24 13.370 -10.485 10.065 176 HA MET 24 HA MET 24 12.502 -7.826 9.377 177 1HB MET 24 2HB MET 24 12.232 -9.583 11.797 178 2HB MET 24 3HB MET 24 11.842 -7.872 11.904 179 1HG MET 24 2HG MET 24 10.596 -9.044 9.598 180 2HG MET 24 3HG MET 24 10.189 -9.948 11.055 181 1HE MET 24 1HE MET 24 10.298 -6.401 9.405 182 2HE MET 24 2HE MET 24 8.948 -7.365 8.802 183 3HE MET 24 3HE MET 24 8.640 -5.911 9.754 184 H LEU 25 H LEU 25 13.872 -6.164 9.402 185 HA LEU 25 HA LEU 25 15.887 -6.058 11.546 186 1HB LEU 25 2HB LEU 25 16.184 -5.909 8.654 187 2HB LEU 25 3HB LEU 25 16.851 -4.499 9.453 188 HG LEU 25 HG LEU 25 17.767 -7.325 9.518 189 1HD1 LEU 25 1HD1 LEU 25 18.709 -4.932 8.507 190 2HD1 LEU 25 2HD1 LEU 25 19.686 -5.198 9.953 191 3HD1 LEU 25 3HD1 LEU 25 19.625 -6.429 8.691 192 1HD2 LEU 25 1HD2 LEU 25 17.358 -5.810 11.916 193 2HD2 LEU 25 2HD2 LEU 25 18.018 -7.434 11.723 194 3HD2 LEU 25 3HD2 LEU 25 19.084 -6.032 11.637 195 H SER 26 H SER 26 16.272 -4.072 12.466 196 HA SER 26 HA SER 26 14.130 -2.143 12.199 197 1HB SER 26 2HB SER 26 16.401 -1.542 13.991 198 2HB SER 26 3HB SER 26 14.666 -1.523 14.318 199 HG SER 26 HG SER 26 14.721 -3.803 14.455 200 HA PRO 27 HA PRO 27 15.877 0.544 9.246 201 1HB PRO 27 2HB PRO 27 15.369 2.967 10.620 202 2HB PRO 27 3HB PRO 27 14.349 2.183 9.413 203 1HG PRO 27 2HG PRO 27 14.201 2.065 12.384 204 2HG PRO 27 3HG PRO 27 12.892 2.033 11.188 205 1HD PRO 27 2HD PRO 27 13.610 -0.195 12.437 206 2HD PRO 27 3HD PRO 27 13.237 -0.229 10.702 207 H LYS 28 H LYS 28 17.065 0.828 12.566 208 HA LYS 28 HA LYS 28 19.202 2.621 11.877 209 1HB LYS 28 2HB LYS 28 18.623 0.902 14.277 210 2HB LYS 28 3HB LYS 28 20.143 1.771 14.118 211 1HG LYS 28 2HG LYS 28 17.380 2.853 14.470 212 2HG LYS 28 3HG LYS 28 18.838 3.188 15.402 213 1HD LYS 28 2HD LYS 28 19.070 3.924 12.587 214 2HD LYS 28 3HD LYS 28 17.781 4.786 13.426 215 1HE LYS 28 2HE LYS 28 20.543 4.567 14.580 216 2HE LYS 28 3HE LYS 28 20.126 5.826 13.420 217 1HZ LYS 28 HZ1 LYS 28 18.419 5.448 15.784 218 2HZ LYS 28 HZ2 LYS 28 19.907 6.239 15.969 219 3HZ LYS 28 HZ3 LYS 28 18.744 6.864 14.904 220 H ASP 29 H ASP 29 18.881 -0.869 12.343 221 HA ASP 29 HA ASP 29 21.625 -1.455 11.721 222 1HB ASP 29 2HB ASP 29 19.735 -2.898 12.964 223 2HB ASP 29 3HB ASP 29 19.504 -3.519 11.330 224 H ALA 30 H ALA 30 18.590 -1.313 10.038 225 HA ALA 30 HA ALA 30 19.429 -2.435 7.578 226 1HB ALA 30 1HB ALA 30 17.051 -2.087 8.279 227 2HB ALA 30 2HB ALA 30 17.259 -0.375 7.914 228 3HB ALA 30 3HB ALA 30 17.423 -1.577 6.632 229 H TYR 31 H TYR 31 19.252 0.939 8.698 230 HA TYR 31 HA TYR 31 20.076 2.102 6.288 231 1HB TYR 31 HB2 TYR 31 19.010 3.458 7.958 232 2HB TYR 31 HB3 TYR 31 20.274 3.106 9.129 233 HD1 TYR 31 HD1 TYR 31 19.693 4.731 5.837 234 HD2 TYR 31 HD2 TYR 31 22.118 4.536 9.328 235 HE1 TYR 31 HE1 TYR 31 20.931 6.712 5.078 236 HE2 TYR 31 HE2 TYR 31 23.363 6.518 8.581 237 HH TYR 31 HH TYR 31 22.334 8.590 6.276 238 H LYS 32 H LYS 32 21.975 1.069 9.110 239 HA LYS 32 HA LYS 32 24.340 2.262 8.218 240 1HB LYS 32 2HB LYS 32 25.477 1.113 9.966 241 2HB LYS 32 3HB LYS 32 23.891 1.569 10.564 242 1HG LYS 32 2HG LYS 32 23.104 -0.659 10.420 243 2HG LYS 32 3HG LYS 32 24.534 -1.172 9.521 244 1HD LYS 32 2HD LYS 32 24.628 -0.075 12.326 245 2HD LYS 32 3HD LYS 32 24.528 -1.796 11.955 246 1HE LYS 32 2HE LYS 32 26.740 0.112 11.209 247 2HE LYS 32 3HE LYS 32 26.828 -1.227 12.353 248 1HZ LYS 32 HZ1 LYS 32 25.970 -2.334 9.983 249 2HZ LYS 32 HZ2 LYS 32 27.193 -1.246 9.533 250 3HZ LYS 32 HZ3 LYS 32 27.517 -2.466 10.664 251 H LEU 33 H LEU 33 23.151 -1.072 7.689 252 HA LEU 33 HA LEU 33 25.541 -1.807 6.265 253 1HB LEU 33 2HB LEU 33 23.936 -3.659 5.336 254 2HB LEU 33 3HB LEU 33 24.562 -3.734 6.968 255 HG LEU 33 HG LEU 33 22.241 -2.436 7.429 256 1HD1 LEU 33 1HD1 LEU 33 21.925 -3.068 4.796 257 2HD1 LEU 33 2HD1 LEU 33 21.169 -4.447 5.595 258 3HD1 LEU 33 3HD1 LEU 33 20.607 -2.809 5.942 259 1HD2 LEU 33 1HD2 LEU 33 23.096 -4.454 8.547 260 2HD2 LEU 33 2HD2 LEU 33 21.376 -4.575 8.175 261 3HD2 LEU 33 3HD2 LEU 33 22.557 -5.424 7.178 262 H LEU 34 H LEU 34 22.574 -0.236 5.496 263 HA LEU 34 HA LEU 34 22.495 -0.544 2.707 264 1HB LEU 34 2HB LEU 34 21.359 1.267 4.717 265 2HB LEU 34 3HB LEU 34 21.572 2.002 3.142 266 HG LEU 34 HG LEU 34 20.154 -0.628 3.408 267 1HD1 LEU 34 1HD1 LEU 34 19.037 2.126 3.889 268 2HD1 LEU 34 2HD1 LEU 34 18.038 0.747 3.433 269 3HD1 LEU 34 3HD1 LEU 34 18.948 0.716 4.943 270 1HD2 LEU 34 1HD2 LEU 34 20.188 1.634 1.426 271 2HD2 LEU 34 2HD2 LEU 34 20.704 -0.037 1.183 272 3HD2 LEU 34 3HD2 LEU 34 18.990 0.338 1.391 273 H GLN 35 H GLN 35 23.963 1.995 4.712 274 HA GLN 35 HA GLN 35 25.112 3.323 2.456 275 1HB GLN 35 2HB GLN 35 25.752 3.672 5.387 276 2HB GLN 35 3HB GLN 35 26.177 4.783 4.092 277 1HG GLN 35 2HG GLN 35 23.351 4.056 4.805 278 2HG GLN 35 3HG GLN 35 24.204 5.449 5.465 279 1HE2 GLN 35 1HE2 GLN 35 23.573 7.237 4.530 280 2HE2 GLN 35 2HE2 GLN 35 23.213 7.453 2.853 281 H GLU 36 H GLU 36 26.264 0.995 4.822 282 HA GLU 36 HA GLU 36 29.020 1.272 4.215 283 1HB GLU 36 2HB GLU 36 27.368 -0.762 5.662 284 2HB GLU 36 3HB GLU 36 29.048 -1.117 5.288 285 1HG GLU 36 2HG GLU 36 29.843 0.584 6.652 286 2HG GLU 36 3HG GLU 36 28.293 1.421 6.671 287 H ASN 37 H ASN 37 26.443 -0.423 2.659 288 HA ASN 37 HA ASN 37 28.408 -1.900 1.030 289 1HB ASN 37 2HB ASN 37 25.829 -2.656 2.209 290 2HB ASN 37 3HB ASN 37 25.998 -3.109 0.515 291 1HD2 ASN 37 1HD2 ASN 37 26.769 -3.868 3.706 292 2HD2 ASN 37 2HD2 ASN 37 27.882 -5.158 3.395 293 HA PRO 38 HA PRO 38 26.849 0.407 -2.450 294 1HB PRO 38 2HB PRO 38 28.223 -0.816 -4.379 295 2HB PRO 38 3HB PRO 38 29.049 0.170 -3.168 296 1HG PRO 38 2HG PRO 38 28.814 -2.804 -3.350 297 2HG PRO 38 3HG PRO 38 30.210 -1.817 -2.883 298 1HD PRO 38 2HD PRO 38 28.474 -3.075 -1.116 299 2HD PRO 38 3HD PRO 38 29.539 -1.716 -0.709 300 H ASP 39 H ASP 39 26.301 -2.848 -1.774 301 HA ASP 39 HA ASP 39 24.680 -3.387 -4.127 302 1HB ASP 39 2HB ASP 39 26.114 -4.969 -2.188 303 2HB ASP 39 3HB ASP 39 24.425 -5.464 -2.212 304 H ILE 40 H ILE 40 24.257 -3.872 -0.661 305 HA ILE 40 HA ILE 40 21.645 -4.255 -0.453 306 HB ILE 40 HB ILE 40 23.195 -2.532 1.480 307 1HG1 ILE 40 2HG1 ILE 40 22.789 -5.530 1.345 308 2HG1 ILE 40 3HG1 ILE 40 24.295 -4.678 1.028 309 1HG2 ILE 40 1HG2 ILE 40 20.483 -3.068 1.458 310 2HG2 ILE 40 2HG2 ILE 40 21.138 -4.266 2.575 311 3HG2 ILE 40 3HG2 ILE 40 21.434 -2.549 2.852 312 1HD1 ILE 40 1HD1 ILE 40 23.529 -3.854 3.571 313 2HD1 ILE 40 2HD1 ILE 40 23.181 -5.582 3.518 314 3HD1 ILE 40 3HD1 ILE 40 24.805 -5.000 3.156 315 H THR 41 H THR 41 20.177 -3.286 -1.586 316 HA THR 41 HA THR 41 19.980 -0.362 -1.607 317 HB THR 41 HB THR 41 18.462 -2.374 -3.283 318 HG1 THR 41 HG1 THR 41 20.946 -2.038 -3.483 319 1HG2 THR 41 1HG2 THR 41 18.115 0.412 -2.890 320 2HG2 THR 41 2HG2 THR 41 18.773 0.183 -4.509 321 3HG2 THR 41 3HG2 THR 41 17.286 -0.640 -4.037 322 H LEU 42 H LEU 42 18.090 0.688 -0.926 323 HA LEU 42 HA LEU 42 16.240 -0.978 0.636 324 1HB LEU 42 2HB LEU 42 17.220 0.682 2.037 325 2HB LEU 42 3HB LEU 42 16.996 1.935 0.832 326 HG LEU 42 HG LEU 42 14.480 1.578 1.184 327 1HD1 LEU 42 1HD1 LEU 42 15.518 -0.420 2.930 328 2HD1 LEU 42 2HD1 LEU 42 14.666 0.791 3.889 329 3HD1 LEU 42 3HD1 LEU 42 13.836 -0.030 2.565 330 1HD2 LEU 42 1HD2 LEU 42 15.962 3.463 2.056 331 2HD2 LEU 42 2HD2 LEU 42 14.430 3.191 2.884 332 3HD2 LEU 42 3HD2 LEU 42 15.935 2.610 3.600 333 H ILE 43 H ILE 43 14.253 -1.216 -0.080 334 HA ILE 43 HA ILE 43 13.274 0.603 -2.181 335 HB ILE 43 HB ILE 43 12.552 -2.264 -1.586 336 1HG1 ILE 43 2HG1 ILE 43 12.967 -1.398 -4.348 337 2HG1 ILE 43 3HG1 ILE 43 14.373 -1.128 -3.320 338 1HG2 ILE 43 1HG2 ILE 43 10.920 -0.146 -2.842 339 2HG2 ILE 43 2HG2 ILE 43 10.979 -1.691 -3.689 340 3HG2 ILE 43 3HG2 ILE 43 10.424 -1.623 -2.019 341 1HD1 ILE 43 1HD1 ILE 43 13.422 -3.702 -2.729 342 2HD1 ILE 43 2HD1 ILE 43 13.420 -3.544 -4.486 343 3HD1 ILE 43 3HD1 ILE 43 14.904 -3.255 -3.575 344 H ASP 44 H ASP 44 11.998 2.082 -1.401 345 HA ASP 44 HA ASP 44 10.547 1.532 1.086 346 1HB ASP 44 2HB ASP 44 11.430 3.551 1.581 347 2HB ASP 44 3HB ASP 44 11.803 3.885 -0.102 348 H VAL 45 H VAL 45 8.367 1.512 1.198 349 HA VAL 45 HA VAL 45 6.937 2.103 -1.304 350 HB VAL 45 HB VAL 45 5.113 0.594 -0.121 351 1HG1 VAL 45 1HG1 VAL 45 6.813 0.280 -2.232 352 2HG1 VAL 45 2HG1 VAL 45 7.185 -1.136 -1.250 353 3HG1 VAL 45 3HG1 VAL 45 5.531 -0.846 -1.786 354 1HG2 VAL 45 1HG2 VAL 45 7.701 -0.419 1.046 355 2HG2 VAL 45 2HG2 VAL 45 6.286 0.162 1.925 356 3HG2 VAL 45 3HG2 VAL 45 6.198 -1.343 1.008 357 H ARG 46 H ARG 46 6.436 4.144 -0.938 358 HA ARG 46 HA ARG 46 4.416 4.655 1.082 359 1HB ARG 46 2HB ARG 46 6.932 5.449 1.658 360 2HB ARG 46 3HB ARG 46 6.398 6.832 0.715 361 1HG ARG 46 2HG ARG 46 6.002 7.295 3.018 362 2HG ARG 46 3HG ARG 46 4.443 7.043 2.233 363 1HD ARG 46 2HD ARG 46 5.914 4.874 3.715 364 2HD ARG 46 3HD ARG 46 4.740 5.937 4.488 365 HE ARG 46 HE ARG 46 4.202 3.745 2.692 366 1HH1 ARG 46 1HH1 ARG 46 2.948 6.672 4.165 367 2HH1 ARG 46 2HH1 ARG 46 1.289 6.314 3.768 368 1HH2 ARG 46 1HH2 ARG 46 1.999 3.286 2.171 369 2HH2 ARG 46 2HH2 ARG 46 0.754 4.412 2.634 370 H ASP 47 H ASP 47 2.893 6.126 0.388 371 HA ASP 47 HA ASP 47 2.735 6.358 -2.424 372 1HB ASP 47 2HB ASP 47 0.979 7.125 -0.134 373 2HB ASP 47 3HB ASP 47 0.654 7.842 -1.713 374 HA PRO 48 HA PRO 48 5.075 9.730 -3.438 375 1HB PRO 48 2HB PRO 48 3.249 10.979 -5.232 376 2HB PRO 48 3HB PRO 48 4.553 9.857 -5.621 377 1HG PRO 48 2HG PRO 48 1.658 9.343 -5.265 378 2HG PRO 48 3HG PRO 48 2.840 8.488 -6.271 379 1HD PRO 48 2HD PRO 48 1.891 7.409 -4.013 380 2HD PRO 48 3HD PRO 48 3.586 7.184 -4.500 381 H ASP 49 H ASP 49 1.811 10.524 -2.406 382 HA ASP 49 HA ASP 49 2.480 13.316 -2.066 383 1HB ASP 49 2HB ASP 49 0.086 12.068 -2.396 384 2HB ASP 49 3HB ASP 49 0.084 12.376 -0.659 385 H GLU 50 H GLU 50 2.414 10.453 -0.055 386 HA GLU 50 HA GLU 50 2.701 11.843 2.430 387 1HB GLU 50 2HB GLU 50 2.518 9.104 1.542 388 2HB GLU 50 3HB GLU 50 3.853 9.285 2.671 389 1HG GLU 50 2HG GLU 50 1.448 10.650 3.555 390 2HG GLU 50 3HG GLU 50 1.208 8.919 3.322 391 H LEU 51 H LEU 51 4.844 10.503 0.004 392 HA LEU 51 HA LEU 51 7.305 10.801 1.343 393 1HB LEU 51 2HB LEU 51 6.448 9.943 -1.163 394 2HB LEU 51 3HB LEU 51 7.440 11.347 -1.507 395 HG LEU 51 HG LEU 51 9.273 10.297 -0.158 396 1HD1 LEU 51 1HD1 LEU 51 7.174 8.448 0.439 397 2HD1 LEU 51 2HD1 LEU 51 8.511 7.602 -0.341 398 3HD1 LEU 51 3HD1 LEU 51 8.799 8.551 1.117 399 1HD2 LEU 51 1HD2 LEU 51 8.958 10.155 -2.693 400 2HD2 LEU 51 2HD2 LEU 51 10.054 8.999 -1.935 401 3HD2 LEU 51 3HD2 LEU 51 8.429 8.497 -2.402 402 H LYS 52 H LYS 52 5.272 13.002 -0.421 403 HA LYS 52 HA LYS 52 7.144 15.157 -0.563 404 1HB LYS 52 2HB LYS 52 4.135 15.078 -0.807 405 2HB LYS 52 3HB LYS 52 5.082 16.543 -1.015 406 1HG LYS 52 2HG LYS 52 6.239 15.567 -2.905 407 2HG LYS 52 3HG LYS 52 5.374 14.046 -2.669 408 1HD LYS 52 2HD LYS 52 3.320 15.830 -2.807 409 2HD LYS 52 3HD LYS 52 4.489 16.550 -3.914 410 1HE LYS 52 2HE LYS 52 4.385 14.801 -5.381 411 2HE LYS 52 3HE LYS 52 3.967 13.633 -4.128 412 1HZ LYS 52 HZ1 LYS 52 1.742 14.594 -4.030 413 2HZ LYS 52 HZ2 LYS 52 2.152 15.702 -5.245 414 3HZ LYS 52 HZ3 LYS 52 2.102 14.043 -5.599 415 H ALA 53 H ALA 53 4.610 14.181 1.664 416 HA ALA 53 HA ALA 53 4.685 16.567 3.205 417 1HB ALA 53 1HB ALA 53 2.856 14.661 2.914 418 2HB ALA 53 2HB ALA 53 3.603 14.092 4.409 419 3HB ALA 53 3HB ALA 53 2.915 15.716 4.327 420 H MET 54 H MET 54 5.909 13.275 3.836 421 HA MET 54 HA MET 54 7.149 14.309 6.282 422 1HB MET 54 2HB MET 54 6.558 11.515 5.319 423 2HB MET 54 3HB MET 54 7.504 11.841 6.765 424 1HG MET 54 2HG MET 54 4.888 13.192 6.577 425 2HG MET 54 3HG MET 54 4.859 11.443 6.777 426 1HE MET 54 1HE MET 54 6.997 10.505 8.578 427 2HE MET 54 2HE MET 54 6.418 10.823 10.214 428 3HE MET 54 3HE MET 54 5.305 10.214 8.989 429 H GLY 55 H GLY 55 7.999 12.797 3.240 430 1HA GLY 55 1HA GLY 55 10.185 13.565 2.357 431 2HA GLY 55 2HA GLY 55 10.840 13.173 3.938 432 H LYS 56 H LYS 56 12.208 12.041 2.099 433 HA LYS 56 HA LYS 56 11.339 9.237 2.121 434 1HB LYS 56 2HB LYS 56 12.686 9.160 -0.155 435 2HB LYS 56 3HB LYS 56 10.981 9.582 -0.130 436 1HG LYS 56 2HG LYS 56 11.544 11.390 -1.287 437 2HG LYS 56 3HG LYS 56 12.257 12.008 0.205 438 1HD LYS 56 2HD LYS 56 14.292 11.904 -0.681 439 2HD LYS 56 3HD LYS 56 14.084 10.189 -1.037 440 1HE LYS 56 2HE LYS 56 12.558 11.590 -2.941 441 2HE LYS 56 3HE LYS 56 14.107 12.426 -2.832 442 1HZ LYS 56 HZ1 LYS 56 14.968 9.943 -2.928 443 2HZ LYS 56 HZ2 LYS 56 13.506 9.730 -3.769 444 3HZ LYS 56 HZ3 LYS 56 14.658 10.845 -4.331 445 HA PRO 57 HA PRO 57 15.221 8.464 3.964 446 1HB PRO 57 2HB PRO 57 15.548 6.069 2.260 447 2HB PRO 57 3HB PRO 57 15.476 6.202 4.020 448 1HG PRO 57 2HG PRO 57 13.419 5.208 2.622 449 2HG PRO 57 3HG PRO 57 13.164 6.208 4.063 450 1HD PRO 57 2HD PRO 57 12.913 6.942 1.177 451 2HD PRO 57 3HD PRO 57 11.910 7.434 2.557 452 H ASP 58 H ASP 58 17.237 9.150 3.685 453 HA ASP 58 HA ASP 58 18.217 9.514 0.943 454 1HB ASP 58 2HB ASP 58 18.155 11.554 2.256 455 2HB ASP 58 3HB ASP 58 19.084 10.793 3.544 456 H VAL 59 H VAL 59 19.042 7.489 0.509 457 HA VAL 59 HA VAL 59 21.520 6.854 1.936 458 HB VAL 59 HB VAL 59 21.138 4.502 1.967 459 1HG1 VAL 59 1HG1 VAL 59 19.711 6.204 3.523 460 2HG1 VAL 59 2HG1 VAL 59 18.435 5.173 2.871 461 3HG1 VAL 59 3HG1 VAL 59 19.788 4.456 3.747 462 1HG2 VAL 59 1HG2 VAL 59 19.756 4.680 -0.259 463 2HG2 VAL 59 2HG2 VAL 59 19.518 3.333 0.854 464 3HG2 VAL 59 3HG2 VAL 59 18.386 4.685 0.852 465 H LYS 60 H LYS 60 23.027 5.562 0.647 466 HA LYS 60 HA LYS 60 23.458 6.673 -1.858 467 1HB LYS 60 2HB LYS 60 24.508 4.068 -0.738 468 2HB LYS 60 3HB LYS 60 25.139 4.859 -2.175 469 1HG LYS 60 2HG LYS 60 26.251 6.429 -0.991 470 2HG LYS 60 3HG LYS 60 25.029 6.493 0.282 471 1HD LYS 60 2HD LYS 60 26.768 5.486 1.402 472 2HD LYS 60 3HD LYS 60 25.889 4.075 0.810 473 1HE LYS 60 2HE LYS 60 27.830 5.049 -1.120 474 2HE LYS 60 3HE LYS 60 28.581 4.640 0.422 475 1HZ LYS 60 HZ1 LYS 60 26.739 2.627 -0.302 476 2HZ LYS 60 HZ2 LYS 60 27.799 2.900 -1.597 477 3HZ LYS 60 HZ3 LYS 60 28.412 2.496 -0.069 478 H ASN 61 H ASN 61 21.963 3.579 -1.029 479 HA ASN 61 HA ASN 61 21.184 3.301 -3.851 480 1HB ASN 61 2HB ASN 61 21.198 0.831 -2.247 481 2HB ASN 61 3HB ASN 61 21.774 1.111 -3.882 482 1HD2 ASN 61 1HD2 ASN 61 22.689 0.288 -0.841 483 2HD2 ASN 61 2HD2 ASN 61 24.367 0.713 -0.917 484 H TYR 62 H TYR 62 19.240 4.493 -3.384 485 HA TYR 62 HA TYR 62 17.269 2.887 -1.893 486 1HB TYR 62 HB2 TYR 62 17.385 4.818 -0.608 487 2HB TYR 62 HB3 TYR 62 17.756 5.839 -1.989 488 HD1 TYR 62 HD1 TYR 62 14.903 3.586 -1.054 489 HD2 TYR 62 HD2 TYR 62 16.160 7.439 -2.344 490 HE1 TYR 62 HE1 TYR 62 12.558 4.312 -1.151 491 HE2 TYR 62 HE2 TYR 62 13.821 8.179 -2.435 492 HH TYR 62 HH TYR 62 11.203 6.249 -1.170 493 H LYS 63 H LYS 63 15.611 2.126 -3.078 494 HA LYS 63 HA LYS 63 14.994 3.500 -5.607 495 1HB LYS 63 2HB LYS 63 14.988 0.531 -5.023 496 2HB LYS 63 3HB LYS 63 14.292 1.250 -6.467 497 1HG LYS 63 2HG LYS 63 16.588 2.249 -6.871 498 2HG LYS 63 3HG LYS 63 17.168 1.092 -5.671 499 1HD LYS 63 2HD LYS 63 15.493 -0.318 -7.457 500 2HD LYS 63 3HD LYS 63 16.562 0.682 -8.440 501 1HE LYS 63 2HE LYS 63 17.792 -0.820 -6.202 502 2HE LYS 63 3HE LYS 63 17.233 -1.755 -7.584 503 1HZ LYS 63 HZ1 LYS 63 18.595 0.374 -8.666 504 2HZ LYS 63 HZ2 LYS 63 19.543 -0.107 -7.339 505 3HZ LYS 63 HZ3 LYS 63 19.143 -1.230 -8.548 506 H HIS 64 H HIS 64 13.016 4.349 -5.597 507 HA HIS 64 HA HIS 64 11.130 3.552 -3.545 508 1HB HIS 64 2HB HIS 64 11.574 5.954 -4.102 509 2HB HIS 64 3HB HIS 64 10.858 5.675 -5.685 510 HD1 HIS 64 HD1 HIS 64 8.885 7.249 -5.374 511 HD2 HIS 64 HD2 HIS 64 9.135 4.315 -2.435 512 HE1 HIS 64 HE1 HIS 64 6.729 7.389 -4.093 513 HE2 HIS 64 HE2 HIS 64 7.017 5.786 -2.178 514 H MET 65 H MET 65 9.425 2.251 -3.862 515 HA MET 65 HA MET 65 8.485 1.829 -6.602 516 1HB MET 65 2HB MET 65 9.585 -0.135 -4.814 517 2HB MET 65 3HB MET 65 7.886 -0.491 -5.100 518 1HG MET 65 2HG MET 65 8.263 -1.169 -7.185 519 2HG MET 65 3HG MET 65 9.331 0.191 -7.529 520 1HE MET 65 1HE MET 65 11.478 0.490 -6.690 521 2HE MET 65 2HE MET 65 12.577 -0.704 -6.004 522 3HE MET 65 3HE MET 65 12.379 -0.593 -7.752 523 H SER 66 H SER 66 6.254 0.771 -6.480 524 HA SER 66 HA SER 66 4.678 2.152 -4.427 525 1HB SER 66 2HB SER 66 4.310 1.842 -7.245 526 2HB SER 66 3HB SER 66 2.991 1.015 -6.416 527 HG SER 66 HG SER 66 3.768 3.734 -6.230 528 H ARG 67 H ARG 67 2.445 0.679 -4.201 529 HA ARG 67 HA ARG 67 3.506 -1.833 -3.156 530 1HB ARG 67 2HB ARG 67 0.867 -1.807 -2.393 531 2HB ARG 67 3HB ARG 67 2.211 -1.234 -1.419 532 1HG ARG 67 2HG ARG 67 0.993 0.694 -3.306 533 2HG ARG 67 3HG ARG 67 0.043 0.225 -1.898 534 1HD ARG 67 2HD ARG 67 1.382 1.333 -0.468 535 2HD ARG 67 3HD ARG 67 2.852 0.900 -1.344 536 HE ARG 67 HE ARG 67 1.030 3.112 -2.067 537 1HH1 ARG 67 1HH1 ARG 67 4.230 1.708 -1.952 538 2HH1 ARG 67 2HH1 ARG 67 4.966 2.972 -2.884 539 1HH2 ARG 67 1HH2 ARG 67 1.967 4.791 -3.295 540 2HH2 ARG 67 2HH2 ARG 67 3.672 4.735 -3.657 541 H GLY 68 H GLY 68 0.536 -0.856 -4.876 542 1HA GLY 68 1HA GLY 68 0.407 -3.503 -6.107 543 2HA GLY 68 2HA GLY 68 -0.837 -2.264 -6.172 544 H LYS 69 H LYS 69 2.123 -0.899 -6.718 545 HA LYS 69 HA LYS 69 1.929 -1.268 -9.625 546 1HB LYS 69 2HB LYS 69 1.105 0.999 -8.769 547 2HB LYS 69 3HB LYS 69 2.768 1.320 -8.309 548 1HG LYS 69 2HG LYS 69 2.223 2.357 -10.436 549 2HG LYS 69 3HG LYS 69 3.466 1.120 -10.634 550 1HD LYS 69 2HD LYS 69 2.102 0.596 -12.391 551 2HD LYS 69 3HD LYS 69 1.379 -0.410 -11.136 552 1HE LYS 69 2HE LYS 69 -0.364 0.730 -12.339 553 2HE LYS 69 3HE LYS 69 -0.268 1.381 -10.704 554 1HZ LYS 69 HZ1 LYS 69 1.407 2.895 -12.379 555 2HZ LYS 69 HZ2 LYS 69 -0.110 2.763 -13.126 556 3HZ LYS 69 HZ3 LYS 69 0.008 3.388 -11.557 557 H LEU 70 H LEU 70 3.600 -2.258 -7.182 558 HA LEU 70 HA LEU 70 6.284 -1.490 -7.837 559 1HB LEU 70 2HB LEU 70 6.740 -2.480 -5.895 560 2HB LEU 70 3HB LEU 70 5.039 -2.857 -5.734 561 HG LEU 70 HG LEU 70 6.019 -4.902 -7.346 562 1HD1 LEU 70 1HD1 LEU 70 8.308 -4.027 -6.683 563 2HD1 LEU 70 2HD1 LEU 70 7.928 -4.566 -5.047 564 3HD1 LEU 70 3HD1 LEU 70 7.993 -5.734 -6.367 565 1HD2 LEU 70 1HD2 LEU 70 4.361 -4.938 -5.452 566 2HD2 LEU 70 2HD2 LEU 70 5.477 -6.303 -5.508 567 3HD2 LEU 70 3HD2 LEU 70 5.734 -4.996 -4.351 568 H GLU 71 H GLU 71 4.023 -3.936 -8.745 569 HA GLU 71 HA GLU 71 5.558 -5.872 -9.915 570 1HB GLU 71 2HB GLU 71 3.036 -4.847 -11.217 571 2HB GLU 71 3HB GLU 71 3.675 -6.484 -11.240 572 1HG GLU 71 2HG GLU 71 2.643 -7.017 -9.348 573 2HG GLU 71 3HG GLU 71 3.191 -5.550 -8.542 574 HA PRO 72 HA PRO 72 6.041 -3.522 -14.057 575 1HB PRO 72 2HB PRO 72 4.871 -0.882 -13.865 576 2HB PRO 72 3HB PRO 72 4.476 -2.189 -14.982 577 1HG PRO 72 2HG PRO 72 2.792 -1.333 -13.020 578 2HG PRO 72 3HG PRO 72 2.791 -2.988 -13.652 579 1HD PRO 72 2HD PRO 72 4.026 -1.917 -11.143 580 2HD PRO 72 3HD PRO 72 3.133 -3.432 -11.403 581 H LEU 73 H LEU 73 6.402 -1.809 -11.042 582 HA LEU 73 HA LEU 73 8.291 0.091 -12.156 583 1HB LEU 73 2HB LEU 73 6.648 -0.073 -9.807 584 2HB LEU 73 3HB LEU 73 8.306 0.241 -9.322 585 HG LEU 73 HG LEU 73 7.002 2.308 -9.593 586 1HD1 LEU 73 1HD1 LEU 73 9.284 1.848 -11.491 587 2HD1 LEU 73 2HD1 LEU 73 8.574 3.438 -11.215 588 3HD1 LEU 73 3HD1 LEU 73 9.326 2.564 -9.880 589 1HD2 LEU 73 1HD2 LEU 73 6.518 1.162 -12.295 590 2HD2 LEU 73 2HD2 LEU 73 5.424 2.037 -11.226 591 3HD2 LEU 73 3HD2 LEU 73 6.656 2.912 -12.135 592 H LEU 74 H LEU 74 8.392 -2.885 -10.370 593 HA LEU 74 HA LEU 74 11.003 -2.598 -9.316 594 1HB LEU 74 2HB LEU 74 10.037 -4.256 -8.160 595 2HB LEU 74 3HB LEU 74 8.929 -4.642 -9.460 596 HG LEU 74 HG LEU 74 11.196 -5.715 -10.448 597 1HD1 LEU 74 1HD1 LEU 74 12.506 -5.115 -8.479 598 2HD1 LEU 74 2HD1 LEU 74 11.376 -5.997 -7.451 599 3HD1 LEU 74 3HD1 LEU 74 12.356 -6.866 -8.633 600 1HD2 LEU 74 1HD2 LEU 74 8.880 -6.684 -8.922 601 2HD2 LEU 74 2HD2 LEU 74 9.520 -7.214 -10.477 602 3HD2 LEU 74 3HD2 LEU 74 10.252 -7.791 -8.981 603 H ALA 75 H ALA 75 9.749 -3.620 -12.368 604 HA ALA 75 HA ALA 75 12.249 -4.684 -13.354 605 1HB ALA 75 1HB ALA 75 9.519 -4.487 -14.303 606 2HB ALA 75 2HB ALA 75 10.678 -4.037 -15.552 607 3HB ALA 75 3HB ALA 75 10.797 -5.611 -14.768 608 H LYS 76 H LYS 76 10.512 -1.657 -13.331 609 HA LYS 76 HA LYS 76 11.914 -0.271 -15.313 610 1HB LYS 76 2HB LYS 76 10.438 0.673 -12.863 611 2HB LYS 76 3HB LYS 76 11.163 1.788 -14.010 612 1HG LYS 76 2HG LYS 76 9.759 0.504 -15.766 613 2HG LYS 76 3HG LYS 76 8.838 -0.046 -14.358 614 1HD LYS 76 2HD LYS 76 7.853 1.943 -14.095 615 2HD LYS 76 3HD LYS 76 9.369 2.817 -14.322 616 1HE LYS 76 2HE LYS 76 8.969 2.068 -16.838 617 2HE LYS 76 3HE LYS 76 7.288 2.057 -16.298 618 1HZ LYS 76 HZ1 LYS 76 8.053 4.388 -15.325 619 2HZ LYS 76 HZ2 LYS 76 9.120 4.301 -16.642 620 3HZ LYS 76 HZ3 LYS 76 7.444 4.218 -16.897 621 H SER 77 H SER 77 12.736 -0.921 -11.968 622 HA SER 77 HA SER 77 14.768 1.102 -11.873 623 1HB SER 77 2HB SER 77 15.186 -0.749 -9.799 624 2HB SER 77 3HB SER 77 14.342 0.795 -9.697 625 HG SER 77 HG SER 77 12.412 -0.239 -10.076 626 H GLY 78 H GLY 78 14.659 -2.412 -12.266 627 1HA GLY 78 1HA GLY 78 16.233 -3.653 -13.527 628 2HA GLY 78 2HA GLY 78 17.373 -2.322 -13.365 629 H LEU 79 H LEU 79 15.493 -4.236 -11.040 630 HA LEU 79 HA LEU 79 17.670 -4.293 -9.181 631 1HB LEU 79 2HB LEU 79 14.865 -5.048 -9.240 632 2HB LEU 79 3HB LEU 79 15.841 -6.240 -8.406 633 HG LEU 79 HG LEU 79 15.714 -3.303 -7.727 634 1HD1 LEU 79 1HD1 LEU 79 14.028 -5.528 -7.045 635 2HD1 LEU 79 2HD1 LEU 79 14.825 -4.893 -5.604 636 3HD1 LEU 79 3HD1 LEU 79 13.862 -3.822 -6.624 637 1HD2 LEU 79 1HD2 LEU 79 17.327 -5.591 -6.680 638 2HD2 LEU 79 2HD2 LEU 79 17.822 -3.932 -7.023 639 3HD2 LEU 79 3HD2 LEU 79 16.844 -4.285 -5.598 640 H ASP 80 H ASP 80 19.022 -6.044 -8.610 641 HA ASP 80 HA ASP 80 18.899 -8.360 -10.403 642 1HB ASP 80 2HB ASP 80 20.985 -7.552 -10.928 643 2HB ASP 80 3HB ASP 80 21.144 -6.682 -9.409 644 HA PRO 81 HA PRO 81 17.749 -10.528 -6.780 645 1HB PRO 81 2HB PRO 81 18.845 -12.953 -8.058 646 2HB PRO 81 3HB PRO 81 17.184 -12.587 -7.568 647 1HG PRO 81 2HG PRO 81 17.889 -12.628 -10.144 648 2HG PRO 81 3HG PRO 81 16.723 -11.441 -9.530 649 1HD PRO 81 2HD PRO 81 19.630 -11.095 -10.165 650 2HD PRO 81 3HD PRO 81 18.267 -10.010 -10.514 651 H GLU 82 H GLU 82 20.980 -10.100 -7.515 652 HA GLU 82 HA GLU 82 21.862 -11.830 -5.320 653 1HB GLU 82 2HB GLU 82 23.336 -10.434 -7.541 654 2HB GLU 82 3HB GLU 82 24.179 -11.080 -6.137 655 1HG GLU 82 2HG GLU 82 22.595 -13.180 -6.931 656 2HG GLU 82 3HG GLU 82 23.087 -12.446 -8.457 657 H LYS 83 H LYS 83 20.844 -8.708 -5.855 658 HA LYS 83 HA LYS 83 22.629 -7.437 -3.951 659 1HB LYS 83 2HB LYS 83 20.058 -6.237 -4.950 660 2HB LYS 83 3HB LYS 83 21.512 -5.415 -4.408 661 1HG LYS 83 2HG LYS 83 21.974 -7.098 -6.730 662 2HG LYS 83 3HG LYS 83 20.763 -5.847 -7.011 663 1HD LYS 83 2HD LYS 83 22.309 -4.238 -7.048 664 2HD LYS 83 3HD LYS 83 23.057 -4.827 -5.560 665 1HE LYS 83 2HE LYS 83 23.610 -5.647 -8.396 666 2HE LYS 83 3HE LYS 83 24.734 -5.016 -7.192 667 1HZ LYS 83 HZ1 LYS 83 24.314 -7.099 -5.909 668 2HZ LYS 83 HZ2 LYS 83 23.476 -7.704 -7.263 669 3HZ LYS 83 HZ3 LYS 83 25.125 -7.325 -7.384 670 HA PRO 84 HA PRO 84 19.984 -8.728 -0.537 671 1HB PRO 84 2HB PRO 84 21.789 -7.108 1.091 672 2HB PRO 84 3HB PRO 84 21.520 -8.852 1.139 673 1HG PRO 84 2HG PRO 84 23.831 -7.746 0.255 674 2HG PRO 84 3HG PRO 84 23.201 -9.285 -0.362 675 1HD PRO 84 2HD PRO 84 23.069 -6.553 -1.583 676 2HD PRO 84 3HD PRO 84 23.377 -8.123 -2.359 677 H VAL 85 H VAL 85 18.124 -7.565 -0.660 678 HA VAL 85 HA VAL 85 18.336 -4.656 -0.332 679 HB VAL 85 HB VAL 85 16.079 -4.615 -1.471 680 1HG1 VAL 85 1HG1 VAL 85 18.242 -4.087 -2.575 681 2HG1 VAL 85 2HG1 VAL 85 18.331 -5.769 -3.104 682 3HG1 VAL 85 3HG1 VAL 85 17.022 -4.732 -3.674 683 1HG2 VAL 85 1HG2 VAL 85 16.702 -7.515 -1.642 684 2HG2 VAL 85 2HG2 VAL 85 15.152 -6.703 -1.415 685 3HG2 VAL 85 3HG2 VAL 85 15.899 -6.748 -3.012 686 H VAL 86 H VAL 86 16.703 -3.533 0.792 687 HA VAL 86 HA VAL 86 15.183 -5.178 2.694 688 HB VAL 86 HB VAL 86 16.882 -4.273 4.045 689 1HG1 VAL 86 1HG1 VAL 86 16.527 -1.704 2.527 690 2HG1 VAL 86 2HG1 VAL 86 17.465 -1.827 4.017 691 3HG1 VAL 86 3HG1 VAL 86 17.948 -2.746 2.590 692 1HG2 VAL 86 1HG2 VAL 86 14.298 -3.558 4.509 693 2HG2 VAL 86 2HG2 VAL 86 15.629 -3.344 5.644 694 3HG2 VAL 86 3HG2 VAL 86 15.126 -2.005 4.614 695 H VAL 87 H VAL 87 13.104 -4.488 3.116 696 HA VAL 87 HA VAL 87 12.094 -2.386 1.320 697 HB VAL 87 HB VAL 87 9.845 -3.515 1.686 698 1HG1 VAL 87 1HG1 VAL 87 11.627 -3.836 -0.251 699 2HG1 VAL 87 2HG1 VAL 87 11.633 -5.487 0.372 700 3HG1 VAL 87 3HG1 VAL 87 10.128 -4.766 -0.198 701 1HG2 VAL 87 1HG2 VAL 87 11.438 -5.121 3.436 702 2HG2 VAL 87 2HG2 VAL 87 9.695 -5.157 3.172 703 3HG2 VAL 87 3HG2 VAL 87 10.762 -6.134 2.161 704 H PHE 88 H PHE 88 11.316 -0.604 2.187 705 HA PHE 88 HA PHE 88 11.226 -0.463 5.097 706 1HB PHE 88 2HB PHE 88 12.651 1.056 3.598 707 2HB PHE 88 3HB PHE 88 11.144 1.873 3.197 708 HD1 PHE 88 HD1 PHE 88 12.174 0.483 6.478 709 HD2 PHE 88 HD2 PHE 88 11.453 3.983 4.165 710 HE1 PHE 88 HE1 PHE 88 12.355 1.857 8.502 711 HE2 PHE 88 HE2 PHE 88 11.630 5.354 6.185 712 HZ PHE 88 HZ PHE 88 12.082 4.293 8.356 713 H CYS 89 H CYS 89 9.455 -0.255 6.229 714 HA CYS 89 HA CYS 89 7.447 0.735 6.871 715 1HB CYS 89 2HB CYS 89 7.356 1.457 4.086 716 2HB CYS 89 3HB CYS 89 5.811 0.775 4.586 717 H LYS 90 H LYS 90 6.988 -1.095 7.952 718 HA LYS 90 HA LYS 90 5.908 -3.349 6.432 719 1HB LYS 90 2HB LYS 90 6.517 -4.753 8.187 720 2HB LYS 90 3HB LYS 90 7.813 -3.568 8.149 721 1HG LYS 90 2HG LYS 90 7.147 -2.578 10.121 722 2HG LYS 90 3HG LYS 90 5.487 -3.155 9.972 723 1HD LYS 90 2HD LYS 90 6.937 -5.486 10.090 724 2HD LYS 90 3HD LYS 90 7.813 -4.426 11.194 725 1HE LYS 90 2HE LYS 90 5.107 -4.016 11.755 726 2HE LYS 90 3HE LYS 90 5.281 -5.757 11.546 727 1HZ LYS 90 HZ1 LYS 90 7.254 -5.533 13.116 728 2HZ LYS 90 HZ2 LYS 90 6.647 -3.993 13.487 729 3HZ LYS 90 HZ3 LYS 90 5.707 -5.371 13.792 730 H THR 91 H THR 91 5.003 -1.052 8.943 731 HA THR 91 HA THR 91 2.595 -2.439 9.604 732 HB THR 91 HB THR 91 2.667 0.380 10.360 733 HG1 THR 91 HG1 THR 91 4.631 0.460 11.165 734 1HG2 THR 91 1HG2 THR 91 1.778 -2.102 11.373 735 2HG2 THR 91 2HG2 THR 91 2.957 -1.470 12.524 736 3HG2 THR 91 3HG2 THR 91 1.554 -0.500 12.076 737 H ALA 92 H ALA 92 2.770 0.972 8.601 738 HA ALA 92 HA ALA 92 0.144 1.072 7.703 739 1HB ALA 92 1HB ALA 92 1.876 2.960 8.214 740 2HB ALA 92 2HB ALA 92 2.180 2.873 6.479 741 3HB ALA 92 3HB ALA 92 0.561 3.242 7.073 742 H ALA 93 H ALA 93 3.080 0.936 5.695 743 HA ALA 93 HA ALA 93 1.597 0.585 3.285 744 1HB ALA 93 1HB ALA 93 3.738 1.743 3.322 745 2HB ALA 93 2HB ALA 93 4.545 0.246 3.785 746 3HB ALA 93 3HB ALA 93 3.764 0.376 2.209 747 H ARG 94 H ARG 94 3.698 -1.565 5.167 748 HA ARG 94 HA ARG 94 3.790 -3.828 5.381 749 1HB ARG 94 2HB ARG 94 1.206 -3.653 5.044 750 2HB ARG 94 3HB ARG 94 1.556 -4.254 3.431 751 1HG ARG 94 2HG ARG 94 1.827 -6.334 4.163 752 2HG ARG 94 3HG ARG 94 2.882 -5.816 5.481 753 1HD ARG 94 2HD ARG 94 1.237 -6.191 6.920 754 2HD ARG 94 3HD ARG 94 0.276 -4.950 6.120 755 HE ARG 94 HE ARG 94 -0.115 -7.765 5.994 756 1HH1 ARG 94 1HH1 ARG 94 -0.432 -4.843 4.096 757 2HH1 ARG 94 2HH1 ARG 94 -1.769 -5.433 3.171 758 1HH2 ARG 94 1HH2 ARG 94 -1.876 -8.556 4.763 759 2HH2 ARG 94 2HH2 ARG 94 -2.587 -7.554 3.542 760 H ALA 95 H ALA 95 5.729 -3.183 4.165 761 HA ALA 95 HA ALA 95 5.945 -3.523 1.369 762 1HB ALA 95 1HB ALA 95 7.491 -2.167 2.690 763 2HB ALA 95 2HB ALA 95 8.103 -3.627 3.468 764 3HB ALA 95 3HB ALA 95 8.338 -3.384 1.737 765 H ALA 96 H ALA 96 5.402 -5.859 3.634 766 HA ALA 96 HA ALA 96 7.194 -7.893 3.132 767 1HB ALA 96 1HB ALA 96 5.457 -7.838 4.921 768 2HB ALA 96 2HB ALA 96 4.265 -8.285 3.700 769 3HB ALA 96 3HB ALA 96 5.591 -9.382 4.081 770 H LEU 97 H LEU 97 4.497 -6.841 1.142 771 HA LEU 97 HA LEU 97 4.412 -9.210 -0.456 772 1HB LEU 97 2HB LEU 97 3.135 -6.560 -0.534 773 2HB LEU 97 3HB LEU 97 3.408 -7.287 -2.113 774 HG LEU 97 HG LEU 97 1.160 -7.766 -1.220 775 1HD1 LEU 97 1HD1 LEU 97 3.014 -10.116 -1.557 776 2HD1 LEU 97 2HD1 LEU 97 1.255 -10.230 -1.552 777 3HD1 LEU 97 3HD1 LEU 97 2.074 -9.301 -2.808 778 1HD2 LEU 97 1HD2 LEU 97 2.671 -8.445 1.141 779 2HD2 LEU 97 2HD2 LEU 97 0.934 -8.201 0.951 780 3HD2 LEU 97 3HD2 LEU 97 1.642 -9.788 0.644 781 H ALA 98 H ALA 98 6.188 -6.184 -0.614 782 HA ALA 98 HA ALA 98 7.186 -6.632 -3.250 783 1HB ALA 98 1HB ALA 98 6.996 -4.385 -2.239 784 2HB ALA 98 2HB ALA 98 8.280 -4.812 -1.107 785 3HB ALA 98 3HB ALA 98 8.620 -4.732 -2.836 786 H GLY 99 H GLY 99 8.412 -7.179 0.014 787 1HA GLY 99 1HA GLY 99 10.988 -8.018 -0.926 788 2HA GLY 99 2HA GLY 99 10.418 -8.067 0.734 789 H LYS 100 H LYS 100 8.356 -9.772 0.733 790 HA LYS 100 HA LYS 100 9.696 -12.197 0.803 791 1HB LYS 100 2HB LYS 100 7.856 -13.003 1.851 792 2HB LYS 100 3HB LYS 100 7.413 -11.302 1.895 793 1HG LYS 100 2HG LYS 100 5.643 -11.623 0.587 794 2HG LYS 100 3HG LYS 100 6.544 -12.639 -0.540 795 1HD LYS 100 2HD LYS 100 6.143 -13.995 1.975 796 2HD LYS 100 3HD LYS 100 4.603 -13.459 1.298 797 1HE LYS 100 2HE LYS 100 4.674 -14.991 -0.318 798 2HE LYS 100 3HE LYS 100 6.347 -14.606 -0.714 799 1HZ LYS 100 HZ1 LYS 100 6.998 -15.966 1.253 800 2HZ LYS 100 HZ2 LYS 100 5.381 -16.459 1.393 801 3HZ LYS 100 HZ3 LYS 100 6.271 -16.850 0.000 802 H THR 101 H THR 101 7.715 -10.860 -1.758 803 HA THR 101 HA THR 101 7.506 -13.279 -3.247 804 HB THR 101 HB THR 101 7.333 -10.514 -4.438 805 HG1 THR 101 HG1 THR 101 5.786 -10.158 -3.036 806 1HG2 THR 101 1HG2 THR 101 7.111 -12.828 -5.704 807 2HG2 THR 101 2HG2 THR 101 5.475 -12.763 -5.047 808 3HG2 THR 101 3HG2 THR 101 6.059 -11.464 -6.089 809 H LEU 102 H LEU 102 9.784 -10.594 -3.182 810 HA LEU 102 HA LEU 102 11.172 -11.317 -5.545 811 1HB LEU 102 2HB LEU 102 11.753 -9.518 -3.230 812 2HB LEU 102 3HB LEU 102 13.016 -9.875 -4.393 813 HG LEU 102 HG LEU 102 10.382 -8.507 -4.929 814 1HD1 LEU 102 1HD1 LEU 102 12.437 -7.314 -3.901 815 2HD1 LEU 102 2HD1 LEU 102 13.109 -7.443 -5.527 816 3HD1 LEU 102 3HD1 LEU 102 11.598 -6.571 -5.262 817 1HD2 LEU 102 1HD2 LEU 102 10.953 -10.050 -6.763 818 2HD2 LEU 102 2HD2 LEU 102 11.057 -8.359 -7.251 819 3HD2 LEU 102 3HD2 LEU 102 12.528 -9.269 -6.909 820 H ARG 103 H ARG 103 11.785 -11.968 -2.103 821 HA ARG 103 HA ARG 103 14.257 -13.261 -2.503 822 1HB ARG 103 2HB ARG 103 14.053 -14.075 -0.246 823 2HB ARG 103 3HB ARG 103 13.463 -12.422 -0.308 824 1HG ARG 103 2HG ARG 103 11.523 -13.040 0.552 825 2HG ARG 103 3HG ARG 103 11.283 -14.217 -0.741 826 1HD ARG 103 2HD ARG 103 13.070 -14.798 1.595 827 2HD ARG 103 3HD ARG 103 11.330 -15.062 1.685 828 HE ARG 103 HE ARG 103 12.841 -16.318 -0.491 829 1HH1 ARG 103 1HH1 ARG 103 11.046 -16.627 2.496 830 2HH1 ARG 103 2HH1 ARG 103 10.803 -18.337 2.320 831 1HH2 ARG 103 1HH2 ARG 103 12.514 -18.564 -0.735 832 2HH2 ARG 103 2HH2 ARG 103 11.633 -19.433 0.489 833 H GLU 104 H GLU 104 10.971 -14.366 -2.722 834 HA GLU 104 HA GLU 104 11.625 -17.163 -2.888 835 1HB GLU 104 2HB GLU 104 9.226 -15.562 -2.712 836 2HB GLU 104 3HB GLU 104 9.076 -16.770 -3.985 837 1HG GLU 104 2HG GLU 104 9.957 -18.415 -2.212 838 2HG GLU 104 3HG GLU 104 9.512 -17.163 -1.054 839 H TYR 105 H TYR 105 12.075 -14.644 -4.943 840 HA TYR 105 HA TYR 105 11.671 -16.299 -7.338 841 1HB TYR 105 HB2 TYR 105 11.889 -13.319 -6.991 842 2HB TYR 105 HB3 TYR 105 12.108 -14.085 -8.562 843 HD1 TYR 105 HD1 TYR 105 9.927 -16.285 -7.454 844 HD2 TYR 105 HD2 TYR 105 10.007 -12.095 -8.185 845 HE1 TYR 105 HE1 TYR 105 7.490 -16.301 -7.770 846 HE2 TYR 105 HE2 TYR 105 7.572 -12.106 -8.497 847 HH TYR 105 HH TYR 105 5.810 -14.233 -9.258 848 H GLY 106 H GLY 106 14.035 -15.283 -5.184 849 1HA GLY 106 1HA GLY 106 16.083 -16.670 -5.746 850 2HA GLY 106 2HA GLY 106 16.125 -15.725 -7.222 851 H PHE 107 H PHE 107 15.113 -13.665 -4.840 852 HA PHE 107 HA PHE 107 17.571 -12.254 -4.819 853 1HB PHE 107 2HB PHE 107 14.910 -11.916 -3.542 854 2HB PHE 107 3HB PHE 107 16.271 -11.082 -2.793 855 HD1 PHE 107 HD1 PHE 107 14.680 -11.605 -6.122 856 HD2 PHE 107 HD2 PHE 107 16.880 -9.003 -3.573 857 HE1 PHE 107 HE1 PHE 107 14.508 -9.813 -7.803 858 HE2 PHE 107 HE2 PHE 107 16.711 -7.211 -5.247 859 HZ PHE 107 HZ PHE 107 15.527 -7.615 -7.368 860 H LYS 108 H LYS 108 19.181 -12.183 -3.373 861 HA LYS 108 HA LYS 108 19.641 -14.462 -1.811 862 1HB LYS 108 2HB LYS 108 21.102 -12.141 -2.656 863 2HB LYS 108 3HB LYS 108 21.405 -12.426 -0.947 864 1HG LYS 108 2HG LYS 108 22.889 -13.956 -1.518 865 2HG LYS 108 3HG LYS 108 21.574 -14.932 -2.179 866 1HD LYS 108 2HD LYS 108 22.303 -12.826 -4.006 867 2HD LYS 108 3HD LYS 108 23.712 -13.798 -3.577 868 1HE LYS 108 2HE LYS 108 21.437 -15.486 -4.056 869 2HE LYS 108 3HE LYS 108 21.709 -14.417 -5.431 870 1HZ LYS 108 HZ1 LYS 108 24.020 -15.159 -5.495 871 2HZ LYS 108 HZ2 LYS 108 23.728 -16.212 -4.194 872 3HZ LYS 108 HZ3 LYS 108 22.946 -16.464 -5.675 873 H THR 109 H THR 109 19.995 -11.238 -0.430 874 HA THR 109 HA THR 109 18.697 -12.228 2.010 875 HB THR 109 HB THR 109 20.309 -9.810 2.280 876 HG1 THR 109 HG1 THR 109 22.315 -11.103 2.059 877 1HG2 THR 109 1HG2 THR 109 19.828 -12.368 3.679 878 2HG2 THR 109 2HG2 THR 109 21.419 -11.645 3.918 879 3HG2 THR 109 3HG2 THR 109 19.965 -10.731 4.326 880 H ILE 110 H ILE 110 16.710 -11.446 2.251 881 HA ILE 110 HA ILE 110 16.233 -8.674 1.415 882 HB ILE 110 HB ILE 110 15.024 -10.621 0.186 883 1HG1 ILE 110 2HG1 ILE 110 12.925 -8.743 0.914 884 2HG1 ILE 110 3HG1 ILE 110 14.462 -7.942 0.601 885 1HG2 ILE 110 1HG2 ILE 110 14.237 -11.690 2.313 886 2HG2 ILE 110 2HG2 ILE 110 13.124 -10.335 2.501 887 3HG2 ILE 110 3HG2 ILE 110 12.983 -11.406 1.107 888 1HD1 ILE 110 1HD1 ILE 110 13.080 -9.852 -1.268 889 2HD1 ILE 110 2HD1 ILE 110 13.078 -8.094 -1.401 890 3HD1 ILE 110 3HD1 ILE 110 14.586 -8.990 -1.580 891 H TYR 111 H TYR 111 15.648 -7.279 2.913 892 HA TYR 111 HA TYR 111 14.993 -8.324 5.591 893 1HB TYR 111 HB2 TYR 111 16.085 -5.575 4.970 894 2HB TYR 111 HB3 TYR 111 16.029 -6.389 6.526 895 HD1 TYR 111 HD1 TYR 111 17.740 -6.313 3.238 896 HD2 TYR 111 HD2 TYR 111 17.786 -7.833 7.222 897 HE1 TYR 111 HE1 TYR 111 20.047 -7.102 2.910 898 HE2 TYR 111 HE2 TYR 111 20.089 -8.622 6.897 899 HH TYR 111 HH TYR 111 21.687 -9.049 5.353 900 H ASN 112 H ASN 112 13.308 -7.408 6.748 901 HA ASN 112 HA ASN 112 11.616 -5.489 5.276 902 1HB ASN 112 2HB ASN 112 10.688 -7.867 5.897 903 2HB ASN 112 3HB ASN 112 10.551 -7.187 7.515 904 1HD2 ASN 112 1HD2 ASN 112 8.632 -8.003 5.260 905 2HD2 ASN 112 2HD2 ASN 112 7.528 -6.668 5.191 906 H SER 113 H SER 113 11.143 -3.611 6.305 907 HA SER 113 HA SER 113 12.826 -3.057 8.584 908 1HB SER 113 2HB SER 113 11.135 -1.153 6.965 909 2HB SER 113 3HB SER 113 12.441 -0.728 8.073 910 HG SER 113 HG SER 113 12.636 -2.146 5.623 911 H GLU 114 H GLU 114 12.168 -3.147 10.560 912 HA GLU 114 HA GLU 114 9.544 -3.431 11.475 913 1HB GLU 114 2HB GLU 114 11.880 -2.255 12.993 914 2HB GLU 114 3HB GLU 114 10.428 -2.956 13.692 915 1HG GLU 114 2HG GLU 114 11.130 -5.092 12.423 916 2HG GLU 114 3HG GLU 114 12.712 -4.315 12.332 917 H GLY 115 H GLY 115 7.914 -2.029 11.552 918 1HA GLY 115 1HA GLY 115 6.826 -0.024 12.044 919 2HA GLY 115 2HA GLY 115 8.390 0.772 12.165 920 H GLY 116 H GLY 116 9.038 1.994 10.511 921 1HA GLY 116 1HA GLY 116 8.912 1.600 7.856 922 2HA GLY 116 2HA GLY 116 7.305 2.225 8.208 923 H MET 117 H MET 117 7.755 4.041 6.902 924 HA MET 117 HA MET 117 9.896 5.751 7.002 925 1HB MET 117 2HB MET 117 7.933 5.806 5.418 926 2HB MET 117 3HB MET 117 7.041 6.669 6.662 927 1HG MET 117 2HG MET 117 8.899 8.385 6.613 928 2HG MET 117 3HG MET 117 9.471 7.579 5.152 929 1HE MET 117 1HE MET 117 6.266 8.870 6.852 930 2HE MET 117 2HE MET 117 5.269 9.432 5.510 931 3HE MET 117 3HE MET 117 5.517 7.703 5.759 932 H ASP 118 H ASP 118 7.190 5.587 9.216 933 HA ASP 118 HA ASP 118 7.497 8.010 10.568 934 1HB ASP 118 2HB ASP 118 5.609 6.321 10.793 935 2HB ASP 118 3HB ASP 118 6.669 5.413 11.866 936 H LYS 119 H LYS 119 9.089 4.879 11.042 937 HA LYS 119 HA LYS 119 10.497 5.665 13.389 938 1HB LYS 119 2HB LYS 119 10.249 3.292 11.712 939 2HB LYS 119 3HB LYS 119 11.887 3.536 12.305 940 1HG LYS 119 2HG LYS 119 10.629 2.118 13.809 941 2HG LYS 119 3HG LYS 119 11.045 3.644 14.593 942 1HD LYS 119 2HD LYS 119 8.882 4.360 14.659 943 2HD LYS 119 3HD LYS 119 8.437 3.500 13.182 944 1HE LYS 119 2HE LYS 119 7.760 1.699 14.319 945 2HE LYS 119 3HE LYS 119 9.182 1.719 15.362 946 1HZ LYS 119 HZ1 LYS 119 6.797 3.462 15.693 947 2HZ LYS 119 HZ2 LYS 119 7.115 2.062 16.597 948 3HZ LYS 119 HZ3 LYS 119 8.145 3.404 16.722 949 H TRP 120 H TRP 120 11.166 5.760 9.957 950 HA TRP 120 HA TRP 120 13.950 6.125 10.058 951 1HB TRP 120 HB2 TRP 120 12.351 5.778 8.023 952 2HB TRP 120 HB3 TRP 120 12.234 7.534 8.035 953 HD1 TRP 120 HD1 TRP 120 14.193 8.878 7.038 954 HE1 TRP 120 HE1 TRP 120 16.397 8.274 5.864 955 HE3 TRP 120 HE3 TRP 120 14.261 3.848 7.972 956 HZ2 TRP 120 HZ2 TRP 120 17.938 5.976 5.367 957 HZ3 TRP 120 HZ3 TRP 120 16.139 2.518 7.094 958 HH2 TRP 120 HH2 TRP 120 17.936 3.564 5.817 959 H LEU 121 H LEU 121 11.329 8.554 9.887 960 HA LEU 121 HA LEU 121 13.005 10.785 10.295 961 1HB LEU 121 2HB LEU 121 10.115 10.223 10.235 962 2HB LEU 121 3HB LEU 121 10.572 11.586 11.235 963 HG LEU 121 HG LEU 121 11.082 11.264 8.273 964 1HD1 LEU 121 1HD1 LEU 121 9.135 12.738 9.941 965 2HD1 LEU 121 2HD1 LEU 121 9.789 13.578 8.536 966 3HD1 LEU 121 3HD1 LEU 121 8.956 12.038 8.333 967 1HD2 LEU 121 1HD2 LEU 121 12.841 12.456 9.904 968 2HD2 LEU 121 2HD2 LEU 121 12.490 13.040 8.278 969 3HD2 LEU 121 3HD2 LEU 121 11.716 13.793 9.672 970 H GLU 122 H GLU 122 11.188 8.691 12.485 971 HA GLU 122 HA GLU 122 11.464 10.251 14.807 972 1HB GLU 122 2HB GLU 122 10.279 7.796 14.095 973 2HB GLU 122 3HB GLU 122 11.347 7.455 15.449 974 1HG GLU 122 2HG GLU 122 10.005 9.794 16.149 975 2HG GLU 122 3HG GLU 122 8.785 8.755 15.413 976 H GLU 123 H GLU 123 13.422 7.538 13.611 977 HA GLU 123 HA GLU 123 15.121 7.583 15.932 978 1HB GLU 123 2HB GLU 123 14.806 5.900 13.541 979 2HB GLU 123 3HB GLU 123 16.454 6.014 14.141 980 1HG GLU 123 2HG GLU 123 14.066 5.200 15.783 981 2HG GLU 123 3HG GLU 123 15.233 4.095 15.058 982 H GLY 124 H GLY 124 14.981 9.938 14.023 983 1HA GLY 124 1HA GLY 124 16.423 11.611 13.423 984 2HA GLY 124 2HA GLY 124 17.632 10.782 14.390 985 H LEU 125 H LEU 125 16.142 9.136 11.728 986 HA LEU 125 HA LEU 125 18.723 8.891 10.466 987 1HB LEU 125 2HB LEU 125 16.021 7.687 9.956 988 2HB LEU 125 3HB LEU 125 17.331 7.489 8.809 989 HG LEU 125 HG LEU 125 17.228 6.497 11.656 990 1HD1 LEU 125 1HD1 LEU 125 16.599 5.369 9.113 991 2HD1 LEU 125 2HD1 LEU 125 17.992 4.528 9.794 992 3HD1 LEU 125 3HD1 LEU 125 16.491 4.634 10.713 993 1HD2 LEU 125 1HD2 LEU 125 19.472 7.502 10.835 994 2HD2 LEU 125 2HD2 LEU 125 19.468 5.898 11.570 995 3HD2 LEU 125 3HD2 LEU 125 19.550 6.064 9.816 996 HA PRO 126 HA PRO 126 18.423 12.063 7.513 997 1HB PRO 126 2HB PRO 126 19.585 10.913 5.320 998 2HB PRO 126 3HB PRO 126 20.487 11.494 6.724 999 1HG PRO 126 2HG PRO 126 19.596 8.709 6.067 1000 2HG PRO 126 3HG PRO 126 21.166 9.266 6.684 1001 1HD PRO 126 2HD PRO 126 19.343 8.163 8.306 1002 2HD PRO 126 3HD PRO 126 20.364 9.514 8.849 1003 H SER 127 H SER 127 16.609 12.718 6.656 1004 HA SER 127 HA SER 127 15.341 11.060 4.582 1005 1HB SER 127 2HB SER 127 13.726 13.021 6.171 1006 2HB SER 127 3HB SER 127 13.206 11.545 5.356 1007 HG SER 127 HG SER 127 15.017 11.259 7.450 1008 H LEU 128 H LEU 128 14.507 12.212 2.797 1009 HA LEU 128 HA LEU 128 15.817 14.807 2.422 1010 1HB LEU 128 2HB LEU 128 15.448 12.483 0.788 1011 2HB LEU 128 3HB LEU 128 14.711 13.864 -0.002 1012 HG LEU 128 HG LEU 128 17.457 14.232 1.060 1013 1HD1 LEU 128 1HD1 LEU 128 16.771 12.489 -1.287 1014 2HD1 LEU 128 2HD1 LEU 128 18.338 13.279 -1.105 1015 3HD1 LEU 128 3HD1 LEU 128 17.794 12.110 0.099 1016 1HD2 LEU 128 1HD2 LEU 128 15.887 15.143 -1.336 1017 2HD2 LEU 128 2HD2 LEU 128 16.502 16.109 0.005 1018 3HD2 LEU 128 3HD2 LEU 128 17.621 15.423 -1.172 1019 H ASP 129 H ASP 129 14.673 16.591 2.357 1020 HA ASP 129 HA ASP 129 11.821 16.466 1.657 1021 1HB ASP 129 2HB ASP 129 12.078 16.693 4.103 1022 2HB ASP 129 3HB ASP 129 13.068 18.124 3.860 1023 H ARG 130 H ARG 130 11.004 18.356 0.609 1024 HA ARG 130 HA ARG 130 12.985 19.701 -0.995 1025 1HB ARG 130 2HB ARG 130 9.989 20.112 -0.906 1026 2HB ARG 130 3HB ARG 130 11.082 20.673 -2.164 1027 1HG ARG 130 2HG ARG 130 10.937 18.745 -3.243 1028 2HG ARG 130 3HG ARG 130 11.343 17.833 -1.788 1029 1HD ARG 130 2HD ARG 130 9.237 17.158 -1.589 1030 2HD ARG 130 3HD ARG 130 8.687 18.831 -1.530 1031 HE ARG 130 HE ARG 130 9.222 17.710 -4.174 1032 1HH1 ARG 130 1HH1 ARG 130 6.860 18.603 -1.731 1033 2HH1 ARG 130 2HH1 ARG 130 5.512 18.563 -2.839 1034 1HH2 ARG 130 1HH2 ARG 130 7.455 17.646 -5.627 1035 2HH2 ARG 130 2HH2 ARG 130 5.852 18.024 -5.059 1036 H SER 131 H SER 131 10.966 20.417 1.749 1037 HA SER 131 HA SER 131 11.217 23.244 1.693 1038 1HB SER 131 2HB SER 131 10.964 22.040 4.352 1039 2HB SER 131 3HB SER 131 9.877 23.147 3.510 1040 HG SER 131 HG SER 131 9.901 20.351 3.574 1041 H HIS 132 H HIS 132 12.583 24.590 2.925 1042 HA HIS 132 HA HIS 132 14.571 25.302 3.762 1043 1HB HIS 132 2HB HIS 132 13.993 23.463 5.520 1044 2HB HIS 132 3HB HIS 132 15.249 22.529 4.710 1045 HD1 HIS 132 HD1 HIS 132 16.337 22.756 7.208 1046 HD2 HIS 132 HD2 HIS 132 16.272 26.169 4.828 1047 HE1 HIS 132 HE1 HIS 132 18.045 24.318 8.204 1048 HE2 HIS 132 HE2 HIS 132 18.180 26.231 6.568 1049 H HIS 133 H HIS 133 14.212 23.972 1.118 1050 HA HIS 133 HA HIS 133 17.057 23.753 0.460 1051 1HB HIS 133 2HB HIS 133 15.095 21.603 0.315 1052 2HB HIS 133 3HB HIS 133 15.826 21.933 -1.251 1053 HD1 HIS 133 HD1 HIS 133 18.723 22.433 -0.546 1054 HD2 HIS 133 HD2 HIS 133 16.429 19.467 1.262 1055 HE1 HIS 133 HE1 HIS 133 20.366 20.729 0.308 1056 HE2 HIS 133 HE2 HIS 133 18.963 18.974 1.456 1057 H HIS 134 H HIS 134 14.699 25.653 0.135 1058 HA HIS 134 HA HIS 134 15.053 26.075 -2.750 1059 1HB HIS 134 2HB HIS 134 12.802 24.986 -2.111 1060 2HB HIS 134 3HB HIS 134 12.393 26.550 -1.416 1061 HD1 HIS 134 HD1 HIS 134 10.447 26.511 -3.277 1062 HD2 HIS 134 HD2 HIS 134 14.342 26.893 -4.691 1063 HE1 HIS 134 HE1 HIS 134 10.234 27.346 -5.640 1064 HE2 HIS 134 HE2 HIS 134 12.603 27.680 -6.438 1065 H HIS 135 H HIS 135 16.412 27.309 -0.586 1066 HA HIS 135 HA HIS 135 15.237 29.977 -0.405 1067 1HB HIS 135 2HB HIS 135 16.615 28.571 1.446 1068 2HB HIS 135 3HB HIS 135 17.934 29.483 0.718 1069 HD1 HIS 135 HD1 HIS 135 18.164 30.768 3.005 1070 HD2 HIS 135 HD2 HIS 135 14.565 31.361 0.998 1071 HE1 HIS 135 HE1 HIS 135 17.112 32.793 4.071 1072 HE2 HIS 135 HE2 HIS 135 14.946 33.150 2.836 1073 H HIS 136 H HIS 136 15.543 29.776 -2.871 1074 HA HIS 136 HA HIS 136 17.415 31.700 -3.661 1075 1HB HIS 136 2HB HIS 136 19.090 30.542 -4.798 1076 2HB HIS 136 3HB HIS 136 18.871 29.544 -3.368 1077 HD1 HIS 136 HD1 HIS 136 19.026 29.360 -6.967 1078 HD2 HIS 136 HD2 HIS 136 17.149 27.191 -3.954 1079 HE1 HIS 136 HE1 HIS 136 18.401 27.155 -8.004 1080 HE2 HIS 136 HE2 HIS 136 17.446 25.789 -6.112 1081 H HIS 137 H HIS 137 17.334 32.021 -6.082 1082 HA HIS 137 HA HIS 137 14.675 31.271 -7.045 1083 1HB HIS 137 2HB HIS 137 15.395 33.675 -7.122 1084 2HB HIS 137 3HB HIS 137 16.634 33.217 -8.283 1085 HD1 HIS 137 HD1 HIS 137 15.788 34.331 -10.364 1086 HD2 HIS 137 HD2 HIS 137 12.853 32.089 -8.449 1087 HE1 HIS 137 HE1 HIS 137 13.819 34.300 -11.933 1088 HE2 HIS 137 HE2 HIS 137 12.120 32.799 -10.824 1089 1H ALA 1 H1 ALA 1 24.286 -8.747 -18.422 1090 2H ALA 1 H2 ALA 1 24.027 -8.943 -16.759 1091 3H ALA 1 H3 ALA 1 23.456 -10.111 -17.849 1092 HA ALA 1 HA ALA 1 22.553 -7.345 -18.135 1093 1HB ALA 1 1HB ALA 1 21.921 -9.887 -19.257 1094 2HB ALA 1 2HB ALA 1 20.492 -9.259 -18.432 1095 3HB ALA 1 3HB ALA 1 21.283 -8.297 -19.682 1096 H ASP 2 H ASP 2 20.369 -6.909 -17.180 1097 HA ASP 2 HA ASP 2 20.404 -7.616 -14.350 1098 1HB ASP 2 2HB ASP 2 19.213 -5.700 -13.954 1099 2HB ASP 2 3HB ASP 2 19.965 -5.235 -15.475 1100 H MET 3 H MET 3 18.297 -8.191 -13.311 1101 HA MET 3 HA MET 3 16.925 -10.130 -15.045 1102 1HB MET 3 2HB MET 3 18.145 -10.350 -12.481 1103 2HB MET 3 3HB MET 3 16.425 -10.660 -12.297 1104 1HG MET 3 2HG MET 3 17.135 -12.088 -14.556 1105 2HG MET 3 3HG MET 3 18.491 -12.309 -13.454 1106 1HE MET 3 1HE MET 3 18.238 -14.660 -13.436 1107 2HE MET 3 2HE MET 3 17.022 -15.594 -12.564 1108 3HE MET 3 3HE MET 3 16.691 -15.022 -14.199 1109 H GLY 4 H GLY 4 16.345 -7.168 -14.128 1110 1HA GLY 4 1HA GLY 4 13.989 -7.090 -12.660 1111 2HA GLY 4 2HA GLY 4 14.461 -5.895 -13.858 1112 H GLU 5 H GLU 5 14.433 -7.721 -16.075 1113 HA GLU 5 HA GLU 5 11.618 -7.634 -16.672 1114 1HB GLU 5 2HB GLU 5 13.687 -7.299 -18.256 1115 2HB GLU 5 3HB GLU 5 13.601 -9.048 -18.411 1116 1HG GLU 5 2HG GLU 5 11.007 -7.815 -18.742 1117 2HG GLU 5 3HG GLU 5 12.188 -7.173 -19.880 1118 H LYS 6 H LYS 6 13.959 -10.090 -15.817 1119 HA LYS 6 HA LYS 6 12.474 -12.310 -16.653 1120 1HB LYS 6 2HB LYS 6 14.944 -11.820 -15.222 1121 2HB LYS 6 3HB LYS 6 14.095 -13.227 -14.596 1122 1HG LYS 6 2HG LYS 6 14.644 -12.820 -17.521 1123 2HG LYS 6 3HG LYS 6 15.748 -13.663 -16.439 1124 1HD LYS 6 2HD LYS 6 14.350 -15.458 -16.181 1125 2HD LYS 6 3HD LYS 6 12.897 -14.502 -16.473 1126 1HE LYS 6 2HE LYS 6 13.992 -14.271 -18.874 1127 2HE LYS 6 3HE LYS 6 14.755 -15.785 -18.398 1128 1HZ LYS 6 HZ1 LYS 6 11.822 -15.302 -18.348 1129 2HZ LYS 6 HZ2 LYS 6 12.641 -16.089 -19.608 1130 3HZ LYS 6 HZ3 LYS 6 12.614 -16.774 -18.055 1131 H PHE 7 H PHE 7 12.936 -11.113 -13.279 1132 HA PHE 7 HA PHE 7 11.004 -13.007 -12.353 1133 1HB PHE 7 2HB PHE 7 11.145 -11.663 -10.172 1134 2HB PHE 7 3HB PHE 7 12.579 -12.520 -10.712 1135 HD1 PHE 7 HD1 PHE 7 11.061 -9.151 -11.288 1136 HD2 PHE 7 HD2 PHE 7 14.530 -11.413 -10.319 1137 HE1 PHE 7 HE1 PHE 7 12.349 -7.072 -11.059 1138 HE2 PHE 7 HE2 PHE 7 15.824 -9.333 -10.081 1139 HZ PHE 7 HZ PHE 7 14.727 -7.158 -10.454 1140 H ASP 8 H ASP 8 10.854 -9.850 -13.585 1141 HA ASP 8 HA ASP 8 8.537 -8.794 -12.473 1142 1HB ASP 8 2HB ASP 8 9.590 -7.312 -13.932 1143 2HB ASP 8 3HB ASP 8 9.769 -8.525 -15.196 1144 H ALA 9 H ALA 9 8.808 -10.917 -15.321 1145 HA ALA 9 HA ALA 9 6.091 -11.205 -15.854 1146 1HB ALA 9 1HB ALA 9 8.017 -11.914 -17.301 1147 2HB ALA 9 2HB ALA 9 8.176 -13.334 -16.269 1148 3HB ALA 9 3HB ALA 9 6.693 -13.074 -17.189 1149 H THR 10 H THR 10 8.189 -12.960 -13.605 1150 HA THR 10 HA THR 10 6.262 -14.928 -12.890 1151 HB THR 10 HB THR 10 8.273 -14.254 -10.855 1152 HG1 THR 10 HG1 THR 10 9.134 -15.093 -13.455 1153 1HG2 THR 10 1HG2 THR 10 6.848 -16.409 -11.272 1154 2HG2 THR 10 2HG2 THR 10 8.137 -16.804 -12.410 1155 3HG2 THR 10 3HG2 THR 10 8.512 -16.547 -10.704 1156 H PHE 11 H PHE 11 7.347 -11.899 -11.412 1157 HA PHE 11 HA PHE 11 5.830 -11.921 -9.094 1158 1HB PHE 11 2HB PHE 11 7.632 -10.229 -10.106 1159 2HB PHE 11 3HB PHE 11 6.181 -9.339 -10.549 1160 HD1 PHE 11 HD1 PHE 11 4.396 -9.370 -8.446 1161 HD2 PHE 11 HD2 PHE 11 8.651 -9.468 -8.203 1162 HE1 PHE 11 HE1 PHE 11 4.291 -8.405 -6.183 1163 HE2 PHE 11 HE2 PHE 11 8.545 -8.506 -5.943 1164 HZ PHE 11 HZ PHE 11 6.366 -7.970 -4.932 1165 H LYS 12 H LYS 12 5.037 -10.572 -12.250 1166 HA LYS 12 HA LYS 12 2.464 -9.636 -11.631 1167 1HB LYS 12 2HB LYS 12 4.137 -9.543 -13.805 1168 2HB LYS 12 3HB LYS 12 2.842 -10.586 -14.368 1169 1HG LYS 12 2HG LYS 12 1.990 -8.578 -14.986 1170 2HG LYS 12 3HG LYS 12 1.335 -8.672 -13.350 1171 1HD LYS 12 2HD LYS 12 2.360 -6.761 -12.868 1172 2HD LYS 12 3HD LYS 12 3.913 -7.562 -13.119 1173 1HE LYS 12 2HE LYS 12 2.495 -6.715 -15.559 1174 2HE LYS 12 3HE LYS 12 3.071 -5.412 -14.519 1175 1HZ LYS 12 HZ1 LYS 12 5.232 -6.953 -14.581 1176 2HZ LYS 12 HZ2 LYS 12 4.582 -7.330 -16.100 1177 3HZ LYS 12 HZ3 LYS 12 4.947 -5.724 -15.705 1178 H ALA 13 H ALA 13 3.645 -12.806 -12.343 1179 HA ALA 13 HA ALA 13 1.137 -13.959 -13.113 1180 1HB ALA 13 1HB ALA 13 3.776 -15.142 -12.273 1181 2HB ALA 13 2HB ALA 13 2.372 -16.126 -12.697 1182 3HB ALA 13 3HB ALA 13 3.087 -15.048 -13.896 1183 H GLN 14 H GLN 14 3.044 -13.868 -10.140 1184 HA GLN 14 HA GLN 14 1.204 -15.461 -8.636 1185 1HB GLN 14 2HB GLN 14 3.704 -14.007 -8.105 1186 2HB GLN 14 3HB GLN 14 2.604 -14.102 -6.734 1187 1HG GLN 14 2HG GLN 14 2.682 -16.670 -7.862 1188 2HG GLN 14 3HG GLN 14 4.350 -16.094 -7.804 1189 1HE2 GLN 14 1HE2 GLN 14 5.270 -15.585 -5.810 1190 2HE2 GLN 14 2HE2 GLN 14 4.610 -16.171 -4.321 1191 H VAL 15 H VAL 15 1.940 -12.001 -8.704 1192 HA VAL 15 HA VAL 15 0.077 -11.267 -6.759 1193 HB VAL 15 HB VAL 15 1.682 -9.829 -8.787 1194 1HG1 VAL 15 1HG1 VAL 15 -0.912 -8.803 -7.806 1195 2HG1 VAL 15 2HG1 VAL 15 0.453 -7.684 -7.778 1196 3HG1 VAL 15 3HG1 VAL 15 -0.036 -8.443 -9.294 1197 1HG2 VAL 15 1HG2 VAL 15 1.848 -10.373 -6.085 1198 2HG2 VAL 15 2HG2 VAL 15 2.839 -9.220 -6.977 1199 3HG2 VAL 15 3HG2 VAL 15 1.390 -8.670 -6.135 1200 H LYS 16 H LYS 16 -0.318 -11.680 -10.233 1201 HA LYS 16 HA LYS 16 -2.840 -10.430 -10.463 1202 1HB LYS 16 2HB LYS 16 -1.087 -11.881 -12.169 1203 2HB LYS 16 3HB LYS 16 -2.693 -12.586 -12.308 1204 1HG LYS 16 2HG LYS 16 -3.497 -10.158 -12.591 1205 2HG LYS 16 3HG LYS 16 -1.803 -9.799 -12.931 1206 1HD LYS 16 2HD LYS 16 -1.983 -11.773 -14.601 1207 2HD LYS 16 3HD LYS 16 -3.723 -11.512 -14.458 1208 1HE LYS 16 2HE LYS 16 -3.569 -9.872 -15.945 1209 2HE LYS 16 3HE LYS 16 -2.549 -8.980 -14.816 1210 1HZ LYS 16 HZ1 LYS 16 -0.745 -10.611 -15.828 1211 2HZ LYS 16 HZ2 LYS 16 -1.797 -10.556 -17.156 1212 3HZ LYS 16 HZ3 LYS 16 -1.124 -9.120 -16.549 1213 H ALA 17 H ALA 17 -1.887 -13.568 -9.299 1214 HA ALA 17 HA ALA 17 -4.403 -14.853 -9.475 1215 1HB ALA 17 1HB ALA 17 -2.172 -15.950 -9.016 1216 2HB ALA 17 2HB ALA 17 -2.338 -15.384 -7.354 1217 3HB ALA 17 3HB ALA 17 -3.525 -16.500 -8.028 1218 H ALA 18 H ALA 18 -3.107 -12.471 -7.331 1219 HA ALA 18 HA ALA 18 -4.941 -12.896 -5.182 1220 1HB ALA 18 1HB ALA 18 -2.745 -11.101 -5.770 1221 2HB ALA 18 2HB ALA 18 -4.082 -10.277 -4.968 1222 3HB ALA 18 3HB ALA 18 -3.341 -11.691 -4.218 1223 H LYS 19 H LYS 19 -4.998 -10.949 -8.125 1224 HA LYS 19 HA LYS 19 -7.449 -9.597 -7.372 1225 1HB LYS 19 2HB LYS 19 -7.348 -8.486 -9.446 1226 2HB LYS 19 3HB LYS 19 -5.678 -8.596 -8.915 1227 1HG LYS 19 2HG LYS 19 -5.171 -9.484 -10.873 1228 2HG LYS 19 3HG LYS 19 -6.145 -10.893 -10.450 1229 1HD LYS 19 2HD LYS 19 -8.117 -9.326 -11.250 1230 2HD LYS 19 3HD LYS 19 -6.818 -8.552 -12.160 1231 1HE LYS 19 2HE LYS 19 -6.241 -11.012 -12.842 1232 2HE LYS 19 3HE LYS 19 -7.918 -11.317 -12.394 1233 1HZ LYS 19 HZ1 LYS 19 -7.583 -9.004 -14.072 1234 2HZ LYS 19 HZ2 LYS 19 -7.072 -10.441 -14.810 1235 3HZ LYS 19 HZ3 LYS 19 -8.657 -10.310 -14.225 1236 H ALA 20 H ALA 20 -6.414 -12.497 -8.788 1237 HA ALA 20 HA ALA 20 -8.816 -13.107 -10.254 1238 1HB ALA 20 1HB ALA 20 -6.211 -14.189 -10.069 1239 2HB ALA 20 2HB ALA 20 -7.347 -15.472 -9.646 1240 3HB ALA 20 3HB ALA 20 -7.503 -14.630 -11.188 1241 H ASP 21 H ASP 21 -7.808 -13.319 -7.009 1242 HA ASP 21 HA ASP 21 -9.559 -15.464 -6.232 1243 1HB ASP 21 2HB ASP 21 -7.360 -14.724 -5.090 1244 2HB ASP 21 3HB ASP 21 -8.336 -13.463 -4.347 1245 H MET 22 H MET 22 -10.182 -12.356 -7.157 1246 HA MET 22 HA MET 22 -12.691 -12.360 -5.656 1247 1HB MET 22 2HB MET 22 -12.397 -9.794 -5.495 1248 2HB MET 22 3HB MET 22 -11.572 -10.817 -4.330 1249 1HG MET 22 2HG MET 22 -9.641 -10.640 -6.153 1250 2HG MET 22 3HG MET 22 -10.477 -9.127 -6.492 1251 1HE MET 22 1HE MET 22 -11.770 -8.958 -3.735 1252 2HE MET 22 2HE MET 22 -10.715 -8.495 -2.400 1253 3HE MET 22 3HE MET 22 -10.988 -7.378 -3.736 1254 H VAL 23 H VAL 23 -14.160 -10.553 -6.543 1255 HA VAL 23 HA VAL 23 -14.373 -10.995 -9.388 1256 HB VAL 23 HB VAL 23 -16.129 -9.240 -7.668 1257 1HG1 VAL 23 1HG1 VAL 23 -16.519 -10.602 -10.321 1258 2HG1 VAL 23 2HG1 VAL 23 -17.840 -9.905 -9.383 1259 3HG1 VAL 23 3HG1 VAL 23 -16.539 -8.873 -9.976 1260 1HG2 VAL 23 1HG2 VAL 23 -15.721 -11.867 -7.136 1261 2HG2 VAL 23 2HG2 VAL 23 -17.224 -11.005 -6.806 1262 3HG2 VAL 23 3HG2 VAL 23 -17.060 -11.959 -8.281 1263 H MET 24 H MET 24 -13.233 -9.760 -10.764 1264 HA MET 24 HA MET 24 -12.208 -7.190 -10.062 1265 1HB MET 24 2HB MET 24 -12.010 -9.050 -12.306 1266 2HB MET 24 3HB MET 24 -12.030 -7.369 -12.815 1267 1HG MET 24 2HG MET 24 -9.865 -8.844 -11.899 1268 2HG MET 24 3HG MET 24 -9.918 -7.112 -12.226 1269 1HE MET 24 1HE MET 24 -8.419 -6.272 -11.012 1270 2HE MET 24 2HE MET 24 -9.136 -5.404 -9.656 1271 3HE MET 24 3HE MET 24 -7.932 -6.660 -9.362 1272 H LEU 25 H LEU 25 -13.757 -5.653 -9.686 1273 HA LEU 25 HA LEU 25 -15.706 -5.184 -11.840 1274 1HB LEU 25 2HB LEU 25 -15.939 -5.246 -8.913 1275 2HB LEU 25 3HB LEU 25 -16.697 -3.856 -9.662 1276 HG LEU 25 HG LEU 25 -17.466 -6.717 -9.754 1277 1HD1 LEU 25 1HD1 LEU 25 -18.685 -4.075 -9.294 1278 2HD1 LEU 25 2HD1 LEU 25 -19.703 -5.271 -10.096 1279 3HD1 LEU 25 3HD1 LEU 25 -19.000 -5.627 -8.519 1280 1HD2 LEU 25 1HD2 LEU 25 -17.360 -4.997 -12.144 1281 2HD2 LEU 25 2HD2 LEU 25 -17.414 -6.753 -12.007 1282 3HD2 LEU 25 3HD2 LEU 25 -18.898 -5.813 -11.856 1283 H SER 26 H SER 26 -15.766 -3.227 -12.754 1284 HA SER 26 HA SER 26 -13.679 -1.350 -12.099 1285 1HB SER 26 2HB SER 26 -15.595 -0.393 -14.053 1286 2HB SER 26 3HB SER 26 -13.886 -0.781 -14.263 1287 HG SER 26 HG SER 26 -14.467 -2.973 -14.527 1288 HA PRO 27 HA PRO 27 -15.616 1.372 -9.331 1289 1HB PRO 27 2HB PRO 27 -15.267 3.823 -10.675 1290 2HB PRO 27 3HB PRO 27 -14.160 3.082 -9.518 1291 1HG PRO 27 2HG PRO 27 -14.131 2.991 -12.501 1292 2HG PRO 27 3HG PRO 27 -12.773 3.089 -11.365 1293 1HD PRO 27 2HD PRO 27 -13.326 0.792 -12.558 1294 2HD PRO 27 3HD PRO 27 -12.907 0.810 -10.833 1295 H LYS 28 H LYS 28 -16.805 1.486 -12.640 1296 HA LYS 28 HA LYS 28 -19.079 3.129 -12.004 1297 1HB LYS 28 2HB LYS 28 -18.329 1.442 -14.382 1298 2HB LYS 28 3HB LYS 28 -19.905 2.209 -14.250 1299 1HG LYS 28 2HG LYS 28 -17.232 3.594 -14.312 1300 2HG LYS 28 3HG LYS 28 -18.446 3.569 -15.593 1301 1HD LYS 28 2HD LYS 28 -19.319 4.546 -12.934 1302 2HD LYS 28 3HD LYS 28 -18.218 5.583 -13.842 1303 1HE LYS 28 2HE LYS 28 -20.814 4.469 -14.900 1304 2HE LYS 28 3HE LYS 28 -20.605 6.094 -14.249 1305 1HZ LYS 28 HZ1 LYS 28 -18.647 5.607 -16.222 1306 2HZ LYS 28 HZ2 LYS 28 -20.180 5.239 -16.855 1307 3HZ LYS 28 HZ3 LYS 28 -19.877 6.775 -16.211 1308 H ASP 29 H ASP 29 -18.497 -0.310 -12.571 1309 HA ASP 29 HA ASP 29 -21.183 -1.120 -12.003 1310 1HB ASP 29 2HB ASP 29 -18.593 -2.476 -12.557 1311 2HB ASP 29 3HB ASP 29 -19.813 -3.412 -11.698 1312 H ALA 30 H ALA 30 -18.268 -0.701 -10.180 1313 HA ALA 30 HA ALA 30 -19.114 -2.104 -7.844 1314 1HB ALA 30 1HB ALA 30 -16.719 -1.408 -8.558 1315 2HB ALA 30 2HB ALA 30 -17.111 0.117 -7.760 1316 3HB ALA 30 3HB ALA 30 -17.151 -1.393 -6.846 1317 H TYR 31 H TYR 31 -19.139 1.286 -8.847 1318 HA TYR 31 HA TYR 31 -20.225 2.295 -6.433 1319 1HB TYR 31 HB2 TYR 31 -19.011 3.742 -7.936 1320 2HB TYR 31 HB3 TYR 31 -20.151 3.427 -9.233 1321 HD1 TYR 31 HD1 TYR 31 -19.796 5.023 -5.906 1322 HD2 TYR 31 HD2 TYR 31 -22.092 4.739 -9.479 1323 HE1 TYR 31 HE1 TYR 31 -21.099 6.998 -5.223 1324 HE2 TYR 31 HE2 TYR 31 -23.402 6.703 -8.806 1325 HH TYR 31 HH TYR 31 -23.048 8.729 -7.312 1326 H LYS 32 H LYS 32 -21.634 0.977 -9.347 1327 HA LYS 32 HA LYS 32 -24.240 1.928 -9.142 1328 1HB LYS 32 2HB LYS 32 -23.805 0.859 -11.148 1329 2HB LYS 32 3HB LYS 32 -22.980 -0.486 -10.375 1330 1HG LYS 32 2HG LYS 32 -24.878 -1.552 -10.988 1331 2HG LYS 32 3HG LYS 32 -25.421 -0.934 -9.427 1332 1HD LYS 32 2HD LYS 32 -26.021 1.160 -11.027 1333 2HD LYS 32 3HD LYS 32 -26.235 -0.181 -12.155 1334 1HE LYS 32 2HE LYS 32 -28.121 -0.846 -11.162 1335 2HE LYS 32 3HE LYS 32 -27.414 -0.715 -9.553 1336 1HZ LYS 32 HZ1 LYS 32 -27.899 1.853 -10.696 1337 2HZ LYS 32 HZ2 LYS 32 -29.321 0.926 -10.640 1338 3HZ LYS 32 HZ3 LYS 32 -28.438 1.207 -9.218 1339 H LEU 33 H LEU 33 -22.935 -1.155 -7.891 1340 HA LEU 33 HA LEU 33 -25.357 -1.755 -6.488 1341 1HB LEU 33 2HB LEU 33 -23.598 -3.399 -5.310 1342 2HB LEU 33 3HB LEU 33 -24.361 -3.738 -6.851 1343 HG LEU 33 HG LEU 33 -22.116 -2.325 -7.590 1344 1HD1 LEU 33 1HD1 LEU 33 -21.568 -2.868 -5.011 1345 2HD1 LEU 33 2HD1 LEU 33 -20.957 -4.337 -5.774 1346 3HD1 LEU 33 3HD1 LEU 33 -20.336 -2.761 -6.271 1347 1HD2 LEU 33 1HD2 LEU 33 -22.973 -5.155 -7.550 1348 2HD2 LEU 33 2HD2 LEU 33 -22.544 -4.119 -8.910 1349 3HD2 LEU 33 3HD2 LEU 33 -21.278 -4.837 -7.914 1350 H LEU 34 H LEU 34 -22.441 -0.063 -5.745 1351 HA LEU 34 HA LEU 34 -22.353 -0.253 -2.977 1352 1HB LEU 34 2HB LEU 34 -21.296 1.557 -5.023 1353 2HB LEU 34 3HB LEU 34 -21.492 2.300 -3.447 1354 HG LEU 34 HG LEU 34 -19.939 -0.237 -3.940 1355 1HD1 LEU 34 1HD1 LEU 34 -19.165 2.120 -4.889 1356 2HD1 LEU 34 2HD1 LEU 34 -18.623 2.318 -3.223 1357 3HD1 LEU 34 3HD1 LEU 34 -18.030 0.967 -4.188 1358 1HD2 LEU 34 1HD2 LEU 34 -20.194 1.575 -1.543 1359 2HD2 LEU 34 2HD2 LEU 34 -20.813 -0.072 -1.688 1360 3HD2 LEU 34 3HD2 LEU 34 -19.072 0.219 -1.677 1361 H GLN 35 H GLN 35 -23.844 2.347 -4.904 1362 HA GLN 35 HA GLN 35 -24.874 3.629 -2.590 1363 1HB GLN 35 2HB GLN 35 -25.509 4.031 -5.512 1364 2HB GLN 35 3HB GLN 35 -26.100 5.068 -4.219 1365 1HG GLN 35 2HG GLN 35 -23.183 4.567 -4.713 1366 2HG GLN 35 3HG GLN 35 -24.078 5.884 -5.465 1367 1HE2 GLN 35 1HE2 GLN 35 -24.414 7.704 -4.354 1368 2HE2 GLN 35 2HE2 GLN 35 -23.930 7.965 -2.711 1369 H GLU 36 H GLU 36 -26.074 1.067 -4.513 1370 HA GLU 36 HA GLU 36 -28.834 1.558 -3.766 1371 1HB GLU 36 2HB GLU 36 -27.620 0.327 -5.930 1372 2HB GLU 36 3HB GLU 36 -28.272 -1.018 -5.003 1373 1HG GLU 36 2HG GLU 36 -30.249 -0.629 -5.897 1374 2HG GLU 36 3HG GLU 36 -30.289 0.926 -5.071 1375 H ASN 37 H ASN 37 -26.208 -0.627 -2.938 1376 HA ASN 37 HA ASN 37 -27.966 -2.244 -1.288 1377 1HB ASN 37 2HB ASN 37 -25.310 -2.530 -2.485 1378 2HB ASN 37 3HB ASN 37 -25.409 -3.164 -0.847 1379 1HD2 ASN 37 1HD2 ASN 37 -26.890 -3.303 -4.029 1380 2HD2 ASN 37 2HD2 ASN 37 -27.494 -4.914 -3.879 1381 HA PRO 38 HA PRO 38 -26.771 -0.039 2.443 1382 1HB PRO 38 2HB PRO 38 -28.292 -1.450 4.149 1383 2HB PRO 38 3HB PRO 38 -29.005 -0.277 3.036 1384 1HG PRO 38 2HG PRO 38 -28.900 -3.255 2.841 1385 2HG PRO 38 3HG PRO 38 -30.219 -2.149 2.418 1386 1HD PRO 38 2HD PRO 38 -28.454 -3.268 0.604 1387 2HD PRO 38 3HD PRO 38 -29.388 -1.786 0.324 1388 H ASP 39 H ASP 39 -26.220 -3.223 1.487 1389 HA ASP 39 HA ASP 39 -24.681 -3.982 3.840 1390 1HB ASP 39 2HB ASP 39 -26.007 -5.398 1.703 1391 2HB ASP 39 3HB ASP 39 -24.306 -5.845 1.730 1392 H ILE 40 H ILE 40 -24.117 -4.166 0.366 1393 HA ILE 40 HA ILE 40 -21.461 -4.347 0.267 1394 HB ILE 40 HB ILE 40 -23.131 -2.733 -1.659 1395 1HG1 ILE 40 2HG1 ILE 40 -22.310 -5.649 -1.607 1396 2HG1 ILE 40 3HG1 ILE 40 -23.935 -5.022 -1.365 1397 1HG2 ILE 40 1HG2 ILE 40 -20.321 -3.788 -1.827 1398 2HG2 ILE 40 2HG2 ILE 40 -21.280 -3.461 -3.271 1399 3HG2 ILE 40 3HG2 ILE 40 -20.908 -2.154 -2.144 1400 1HD1 ILE 40 1HD1 ILE 40 -22.933 -4.082 -3.863 1401 2HD1 ILE 40 2HD1 ILE 40 -22.722 -5.830 -3.760 1402 3HD1 ILE 40 3HD1 ILE 40 -24.320 -5.122 -3.534 1403 H THR 41 H THR 41 -20.004 -3.324 1.279 1404 HA THR 41 HA THR 41 -20.010 -0.390 1.459 1405 HB THR 41 HB THR 41 -18.025 -1.951 3.003 1406 HG1 THR 41 HG1 THR 41 -20.720 -2.494 3.139 1407 1HG2 THR 41 1HG2 THR 41 -18.728 0.612 3.033 1408 2HG2 THR 41 2HG2 THR 41 -19.895 0.013 4.212 1409 3HG2 THR 41 3HG2 THR 41 -18.168 -0.220 4.482 1410 H LEU 42 H LEU 42 -18.138 0.774 0.762 1411 HA LEU 42 HA LEU 42 -16.279 -0.821 -0.868 1412 1HB LEU 42 2HB LEU 42 -17.192 0.861 -2.258 1413 2HB LEU 42 3HB LEU 42 -17.105 2.071 -0.991 1414 HG LEU 42 HG LEU 42 -14.558 1.857 -1.207 1415 1HD1 LEU 42 1HD1 LEU 42 -14.853 -0.288 -2.599 1416 2HD1 LEU 42 2HD1 LEU 42 -15.179 0.809 -3.942 1417 3HD1 LEU 42 3HD1 LEU 42 -13.631 0.881 -3.100 1418 1HD2 LEU 42 1HD2 LEU 42 -15.985 3.738 -2.049 1419 2HD2 LEU 42 2HD2 LEU 42 -14.485 3.482 -2.942 1420 3HD2 LEU 42 3HD2 LEU 42 -16.018 2.924 -3.614 1421 H ILE 43 H ILE 43 -14.312 -1.129 -0.124 1422 HA ILE 43 HA ILE 43 -13.339 0.591 2.054 1423 HB ILE 43 HB ILE 43 -12.507 -2.198 1.234 1424 1HG1 ILE 43 2HG1 ILE 43 -13.629 -1.172 3.844 1425 2HG1 ILE 43 3HG1 ILE 43 -14.604 -1.916 2.581 1426 1HG2 ILE 43 1HG2 ILE 43 -10.693 -0.471 2.061 1427 2HG2 ILE 43 2HG2 ILE 43 -11.373 -0.866 3.641 1428 3HG2 ILE 43 3HG2 ILE 43 -10.695 -2.141 2.628 1429 1HD1 ILE 43 1HD1 ILE 43 -12.757 -3.828 2.900 1430 2HD1 ILE 43 2HD1 ILE 43 -12.758 -3.139 4.521 1431 3HD1 ILE 43 3HD1 ILE 43 -14.254 -3.760 3.827 1432 H ASP 44 H ASP 44 -12.073 2.168 1.344 1433 HA ASP 44 HA ASP 44 -10.573 1.743 -1.139 1434 1HB ASP 44 2HB ASP 44 -11.605 3.745 -1.503 1435 2HB ASP 44 3HB ASP 44 -11.747 4.097 0.214 1436 H VAL 45 H VAL 45 -8.387 1.826 -1.241 1437 HA VAL 45 HA VAL 45 -6.995 2.361 1.286 1438 HB VAL 45 HB VAL 45 -5.117 0.948 0.089 1439 1HG1 VAL 45 1HG1 VAL 45 -7.399 0.179 1.791 1440 2HG1 VAL 45 2HG1 VAL 45 -6.477 -1.146 1.080 1441 3HG1 VAL 45 3HG1 VAL 45 -5.667 0.053 2.089 1442 1HG2 VAL 45 1HG2 VAL 45 -7.649 0.016 -1.235 1443 2HG2 VAL 45 2HG2 VAL 45 -6.119 0.472 -1.985 1444 3HG2 VAL 45 3HG2 VAL 45 -6.234 -1.024 -1.060 1445 H ARG 46 H ARG 46 -6.557 4.438 0.999 1446 HA ARG 46 HA ARG 46 -4.506 5.103 -0.931 1447 1HB ARG 46 2HB ARG 46 -6.928 5.684 -1.805 1448 2HB ARG 46 3HB ARG 46 -6.785 7.037 -0.692 1449 1HG ARG 46 2HG ARG 46 -6.068 7.911 -2.717 1450 2HG ARG 46 3HG ARG 46 -4.564 7.525 -1.881 1451 1HD ARG 46 2HD ARG 46 -5.915 5.876 -4.019 1452 2HD ARG 46 3HD ARG 46 -4.429 6.810 -4.191 1453 HE ARG 46 HE ARG 46 -4.760 4.282 -2.755 1454 1HH1 ARG 46 1HH1 ARG 46 -2.647 6.873 -3.850 1455 2HH1 ARG 46 2HH1 ARG 46 -1.192 6.028 -3.381 1456 1HH2 ARG 46 1HH2 ARG 46 -2.835 3.224 -2.121 1457 2HH2 ARG 46 2HH2 ARG 46 -1.303 4.005 -2.372 1458 H ASP 47 H ASP 47 -3.034 6.444 -0.019 1459 HA ASP 47 HA ASP 47 -3.209 6.686 2.769 1460 1HB ASP 47 2HB ASP 47 -1.184 7.068 0.757 1461 2HB ASP 47 3HB ASP 47 -1.102 8.355 1.962 1462 HA PRO 48 HA PRO 48 -5.361 10.239 3.843 1463 1HB PRO 48 2HB PRO 48 -3.418 11.445 5.528 1464 2HB PRO 48 3HB PRO 48 -4.737 10.374 6.004 1465 1HG PRO 48 2HG PRO 48 -1.878 9.748 5.490 1466 2HG PRO 48 3HG PRO 48 -3.013 8.995 6.624 1467 1HD PRO 48 2HD PRO 48 -2.294 7.744 4.386 1468 2HD PRO 48 3HD PRO 48 -3.972 7.667 4.967 1469 H ASP 49 H ASP 49 -2.032 10.846 2.866 1470 HA ASP 49 HA ASP 49 -2.406 13.637 2.465 1471 1HB ASP 49 2HB ASP 49 -0.250 11.696 2.075 1472 2HB ASP 49 3HB ASP 49 -0.273 12.971 0.857 1473 H GLU 50 H GLU 50 -2.490 10.818 0.313 1474 HA GLU 50 HA GLU 50 -2.994 12.287 -2.070 1475 1HB GLU 50 2HB GLU 50 -3.329 9.412 -1.261 1476 2HB GLU 50 3HB GLU 50 -3.906 9.984 -2.820 1477 1HG GLU 50 2HG GLU 50 -1.368 10.956 -2.787 1478 2HG GLU 50 3HG GLU 50 -1.185 9.449 -1.893 1479 H LEU 51 H LEU 51 -4.989 10.849 0.430 1480 HA LEU 51 HA LEU 51 -7.512 11.155 -0.795 1481 1HB LEU 51 2HB LEU 51 -6.537 10.209 1.640 1482 2HB LEU 51 3HB LEU 51 -7.561 11.564 2.078 1483 HG LEU 51 HG LEU 51 -9.309 10.425 0.524 1484 1HD1 LEU 51 1HD1 LEU 51 -7.205 8.645 0.206 1485 2HD1 LEU 51 2HD1 LEU 51 -8.322 7.826 1.301 1486 3HD1 LEU 51 3HD1 LEU 51 -8.886 8.396 -0.270 1487 1HD2 LEU 51 1HD2 LEU 51 -8.613 10.111 3.308 1488 2HD2 LEU 51 2HD2 LEU 51 -10.200 10.266 2.554 1489 3HD2 LEU 51 3HD2 LEU 51 -9.437 8.682 2.686 1490 H LYS 52 H LYS 52 -5.468 13.332 1.020 1491 HA LYS 52 HA LYS 52 -7.420 15.390 1.338 1492 1HB LYS 52 2HB LYS 52 -4.473 15.160 1.746 1493 2HB LYS 52 3HB LYS 52 -5.182 16.766 1.657 1494 1HG LYS 52 2HG LYS 52 -6.838 15.842 3.437 1495 2HG LYS 52 3HG LYS 52 -5.580 14.631 3.701 1496 1HD LYS 52 2HD LYS 52 -4.477 17.303 3.555 1497 2HD LYS 52 3HD LYS 52 -5.705 17.176 4.816 1498 1HE LYS 52 2HE LYS 52 -4.045 16.369 6.085 1499 2HE LYS 52 3HE LYS 52 -4.275 14.876 5.177 1500 1HZ LYS 52 HZ1 LYS 52 -2.610 15.941 3.543 1501 2HZ LYS 52 HZ2 LYS 52 -2.200 16.945 4.848 1502 3HZ LYS 52 HZ3 LYS 52 -2.024 15.261 4.983 1503 H ALA 53 H ALA 53 -4.816 14.765 -0.965 1504 HA ALA 53 HA ALA 53 -5.106 17.272 -2.280 1505 1HB ALA 53 1HB ALA 53 -3.160 15.340 -2.165 1506 2HB ALA 53 2HB ALA 53 -3.748 15.211 -3.823 1507 3HB ALA 53 3HB ALA 53 -3.152 16.756 -3.216 1508 H MET 54 H MET 54 -5.979 13.944 -3.244 1509 HA MET 54 HA MET 54 -7.279 15.054 -5.622 1510 1HB MET 54 2HB MET 54 -6.287 12.348 -4.846 1511 2HB MET 54 3HB MET 54 -7.549 12.462 -6.064 1512 1HG MET 54 2HG MET 54 -5.672 14.342 -6.850 1513 2HG MET 54 3HG MET 54 -4.714 12.977 -6.279 1514 1HE MET 54 1HE MET 54 -4.066 11.290 -7.371 1515 2HE MET 54 2HE MET 54 -5.389 10.170 -7.690 1516 3HE MET 54 3HE MET 54 -4.433 10.810 -9.028 1517 H GLY 55 H GLY 55 -8.077 13.241 -2.729 1518 1HA GLY 55 1HA GLY 55 -10.281 13.823 -1.796 1519 2HA GLY 55 2HA GLY 55 -10.919 13.594 -3.416 1520 H LYS 56 H LYS 56 -12.322 12.246 -1.869 1521 HA LYS 56 HA LYS 56 -11.423 9.460 -2.080 1522 1HB LYS 56 2HB LYS 56 -12.892 9.335 0.200 1523 2HB LYS 56 3HB LYS 56 -11.140 9.475 0.177 1524 1HG LYS 56 2HG LYS 56 -11.167 11.561 1.001 1525 2HG LYS 56 3HG LYS 56 -12.586 12.027 0.061 1526 1HD LYS 56 2HD LYS 56 -14.044 10.920 1.628 1527 2HD LYS 56 3HD LYS 56 -12.661 10.282 2.520 1528 1HE LYS 56 2HE LYS 56 -13.365 13.197 2.195 1529 2HE LYS 56 3HE LYS 56 -13.643 12.225 3.641 1530 1HZ LYS 56 HZ1 LYS 56 -11.167 11.826 3.630 1531 2HZ LYS 56 HZ2 LYS 56 -11.051 13.069 2.477 1532 3HZ LYS 56 HZ3 LYS 56 -11.660 13.396 4.026 1533 HA PRO 57 HA PRO 57 -15.399 8.738 -3.826 1534 1HB PRO 57 2HB PRO 57 -15.903 6.447 -2.043 1535 2HB PRO 57 3HB PRO 57 -15.771 6.501 -3.801 1536 1HG PRO 57 2HG PRO 57 -13.835 5.430 -2.275 1537 2HG PRO 57 3HG PRO 57 -13.476 6.300 -3.777 1538 1HD PRO 57 2HD PRO 57 -13.194 7.205 -0.945 1539 2HD PRO 57 3HD PRO 57 -12.155 7.533 -2.349 1540 H ASP 58 H ASP 58 -17.199 9.866 -3.490 1541 HA ASP 58 HA ASP 58 -18.219 10.228 -0.776 1542 1HB ASP 58 2HB ASP 58 -18.022 12.222 -2.209 1543 2HB ASP 58 3HB ASP 58 -19.098 11.485 -3.390 1544 H VAL 59 H VAL 59 -19.048 8.166 -0.384 1545 HA VAL 59 HA VAL 59 -21.591 7.641 -1.743 1546 HB VAL 59 HB VAL 59 -21.240 5.314 -1.954 1547 1HG1 VAL 59 1HG1 VAL 59 -18.812 6.839 -2.846 1548 2HG1 VAL 59 2HG1 VAL 59 -19.068 5.143 -3.258 1549 3HG1 VAL 59 3HG1 VAL 59 -20.224 6.365 -3.791 1550 1HG2 VAL 59 1HG2 VAL 59 -19.915 5.269 0.288 1551 2HG2 VAL 59 2HG2 VAL 59 -19.632 4.026 -0.931 1552 3HG2 VAL 59 3HG2 VAL 59 -18.503 5.372 -0.767 1553 H LYS 60 H LYS 60 -22.937 6.060 -0.391 1554 HA LYS 60 HA LYS 60 -23.022 7.145 2.255 1555 1HB LYS 60 2HB LYS 60 -24.764 4.975 2.267 1556 2HB LYS 60 3HB LYS 60 -25.183 6.659 2.014 1557 1HG LYS 60 2HG LYS 60 -26.189 5.646 0.229 1558 2HG LYS 60 3HG LYS 60 -24.654 6.116 -0.486 1559 1HD LYS 60 2HD LYS 60 -24.858 3.912 -1.172 1560 2HD LYS 60 3HD LYS 60 -23.879 3.750 0.286 1561 1HE LYS 60 2HE LYS 60 -25.645 2.084 0.261 1562 2HE LYS 60 3HE LYS 60 -25.896 3.229 1.577 1563 1HZ LYS 60 HZ1 LYS 60 -27.249 3.466 -1.053 1564 2HZ LYS 60 HZ2 LYS 60 -27.922 2.631 0.259 1565 3HZ LYS 60 HZ3 LYS 60 -27.618 4.297 0.379 1566 H ASN 61 H ASN 61 -21.819 4.225 0.864 1567 HA ASN 61 HA ASN 61 -21.239 3.198 3.560 1568 1HB ASN 61 2HB ASN 61 -22.758 2.014 1.527 1569 2HB ASN 61 3HB ASN 61 -21.222 1.159 1.498 1570 1HD2 ASN 61 1HD2 ASN 61 -22.877 -0.525 2.080 1571 2HD2 ASN 61 2HD2 ASN 61 -23.115 -0.811 3.768 1572 H TYR 62 H TYR 62 -19.258 4.622 3.161 1573 HA TYR 62 HA TYR 62 -17.231 3.020 1.749 1574 1HB TYR 62 HB2 TYR 62 -17.316 4.954 0.463 1575 2HB TYR 62 HB3 TYR 62 -17.699 5.978 1.840 1576 HD1 TYR 62 HD1 TYR 62 -14.884 3.624 1.155 1577 HD2 TYR 62 HD2 TYR 62 -16.089 7.597 2.045 1578 HE1 TYR 62 HE1 TYR 62 -12.529 4.289 1.306 1579 HE2 TYR 62 HE2 TYR 62 -13.731 8.289 2.192 1580 HH TYR 62 HH TYR 62 -11.148 6.290 1.123 1581 H LYS 63 H LYS 63 -15.596 2.284 2.972 1582 HA LYS 63 HA LYS 63 -15.077 3.639 5.531 1583 1HB LYS 63 2HB LYS 63 -14.910 0.668 4.965 1584 2HB LYS 63 3HB LYS 63 -14.460 1.449 6.472 1585 1HG LYS 63 2HG LYS 63 -16.807 2.253 6.659 1586 2HG LYS 63 3HG LYS 63 -17.203 1.221 5.285 1587 1HD LYS 63 2HD LYS 63 -16.271 -0.705 6.600 1588 2HD LYS 63 3HD LYS 63 -16.160 0.383 7.984 1589 1HE LYS 63 2HE LYS 63 -18.663 -0.398 6.496 1590 2HE LYS 63 3HE LYS 63 -18.198 -0.910 8.116 1591 1HZ LYS 63 HZ1 LYS 63 -18.529 1.958 7.481 1592 2HZ LYS 63 HZ2 LYS 63 -19.872 0.995 7.859 1593 3HZ LYS 63 HZ3 LYS 63 -18.620 1.181 8.985 1594 H HIS 64 H HIS 64 -13.093 4.465 5.622 1595 HA HIS 64 HA HIS 64 -11.172 3.772 3.575 1596 1HB HIS 64 2HB HIS 64 -11.682 6.128 4.215 1597 2HB HIS 64 3HB HIS 64 -11.014 5.807 5.810 1598 HD1 HIS 64 HD1 HIS 64 -9.119 7.476 5.613 1599 HD2 HIS 64 HD2 HIS 64 -9.126 4.613 2.592 1600 HE1 HIS 64 HE1 HIS 64 -6.927 7.748 4.416 1601 HE2 HIS 64 HE2 HIS 64 -7.088 6.207 2.435 1602 H MET 65 H MET 65 -9.349 2.606 3.875 1603 HA MET 65 HA MET 65 -8.515 1.999 6.620 1604 1HB MET 65 2HB MET 65 -9.651 0.149 4.751 1605 2HB MET 65 3HB MET 65 -7.970 -0.285 5.034 1606 1HG MET 65 2HG MET 65 -8.374 -0.985 7.111 1607 2HG MET 65 3HG MET 65 -9.446 0.367 7.464 1608 1HE MET 65 1HE MET 65 -11.478 0.555 5.748 1609 2HE MET 65 2HE MET 65 -12.631 -0.762 5.528 1610 3HE MET 65 3HE MET 65 -12.429 -0.023 7.117 1611 H SER 66 H SER 66 -6.326 0.896 6.576 1612 HA SER 66 HA SER 66 -4.543 2.332 4.763 1613 1HB SER 66 2HB SER 66 -3.472 0.549 6.891 1614 2HB SER 66 3HB SER 66 -2.922 2.145 6.376 1615 HG SER 66 HG SER 66 -3.870 2.703 8.190 1616 H ARG 67 H ARG 67 -2.439 0.728 4.365 1617 HA ARG 67 HA ARG 67 -3.622 -1.375 2.744 1618 1HB ARG 67 2HB ARG 67 -0.771 -1.328 2.488 1619 2HB ARG 67 3HB ARG 67 -1.989 -0.903 1.296 1620 1HG ARG 67 2HG ARG 67 -1.296 1.097 3.381 1621 2HG ARG 67 3HG ARG 67 -0.152 0.812 2.070 1622 1HD ARG 67 2HD ARG 67 -1.479 1.793 0.530 1623 2HD ARG 67 3HD ARG 67 -2.958 1.151 1.244 1624 HE ARG 67 HE ARG 67 -1.528 3.582 2.122 1625 1HH1 ARG 67 1HH1 ARG 67 -4.451 1.646 1.965 1626 2HH1 ARG 67 2HH1 ARG 67 -5.402 2.775 2.881 1627 1HH2 ARG 67 1HH2 ARG 67 -2.749 5.052 3.307 1628 2HH2 ARG 67 2HH2 ARG 67 -4.428 4.739 3.628 1629 H GLY 68 H GLY 68 -1.153 -1.047 5.243 1630 1HA GLY 68 1HA GLY 68 -1.194 -3.959 5.656 1631 2HA GLY 68 2HA GLY 68 0.040 -2.861 6.264 1632 H LYS 69 H LYS 69 -1.510 -0.880 7.332 1633 HA LYS 69 HA LYS 69 -2.437 -2.068 9.786 1634 1HB LYS 69 2HB LYS 69 -1.229 0.266 9.282 1635 2HB LYS 69 3HB LYS 69 -2.895 0.814 9.179 1636 1HG LYS 69 2HG LYS 69 -3.329 0.080 11.430 1637 2HG LYS 69 3HG LYS 69 -1.717 -0.631 11.544 1638 1HD LYS 69 2HD LYS 69 -0.832 1.327 12.133 1639 2HD LYS 69 3HD LYS 69 -1.550 2.128 10.734 1640 1HE LYS 69 2HE LYS 69 -3.605 2.489 11.935 1641 2HE LYS 69 3HE LYS 69 -3.018 1.544 13.302 1642 1HZ LYS 69 HZ1 LYS 69 -1.245 3.685 12.620 1643 2HZ LYS 69 HZ2 LYS 69 -2.798 4.247 13.004 1644 3HZ LYS 69 HZ3 LYS 69 -1.946 3.298 14.117 1645 H LEU 70 H LEU 70 -3.881 -2.672 7.309 1646 HA LEU 70 HA LEU 70 -6.393 -1.299 7.448 1647 1HB LEU 70 2HB LEU 70 -6.876 -2.316 5.504 1648 2HB LEU 70 3HB LEU 70 -5.164 -2.681 5.476 1649 HG LEU 70 HG LEU 70 -6.354 -4.797 6.890 1650 1HD1 LEU 70 1HD1 LEU 70 -7.922 -4.086 4.413 1651 2HD1 LEU 70 2HD1 LEU 70 -8.023 -5.618 5.282 1652 3HD1 LEU 70 3HD1 LEU 70 -8.533 -4.123 6.067 1653 1HD2 LEU 70 1HD2 LEU 70 -4.935 -4.336 4.356 1654 2HD2 LEU 70 2HD2 LEU 70 -4.645 -5.526 5.626 1655 3HD2 LEU 70 3HD2 LEU 70 -5.903 -5.810 4.423 1656 H GLU 71 H GLU 71 -5.170 -4.505 8.356 1657 HA GLU 71 HA GLU 71 -7.538 -5.607 9.175 1658 1HB GLU 71 2HB GLU 71 -5.933 -6.855 10.918 1659 2HB GLU 71 3HB GLU 71 -6.018 -7.248 9.210 1660 1HG GLU 71 2HG GLU 71 -3.880 -6.761 8.940 1661 2HG GLU 71 3HG GLU 71 -4.103 -5.158 9.647 1662 HA PRO 72 HA PRO 72 -7.117 -3.954 13.674 1663 1HB PRO 72 2HB PRO 72 -5.663 -1.714 14.098 1664 2HB PRO 72 3HB PRO 72 -4.971 -3.336 14.234 1665 1HG PRO 72 2HG PRO 72 -4.804 -1.384 11.976 1666 2HG PRO 72 3HG PRO 72 -3.537 -2.421 12.654 1667 1HD PRO 72 2HD PRO 72 -4.887 -3.022 10.371 1668 2HD PRO 72 3HD PRO 72 -4.231 -4.259 11.462 1669 H LEU 73 H LEU 73 -7.201 -1.949 10.848 1670 HA LEU 73 HA LEU 73 -9.000 0.008 12.038 1671 1HB LEU 73 2HB LEU 73 -7.257 -0.055 9.803 1672 2HB LEU 73 3HB LEU 73 -8.877 0.153 9.169 1673 HG LEU 73 HG LEU 73 -7.762 2.299 9.504 1674 1HD1 LEU 73 1HD1 LEU 73 -10.123 1.680 11.249 1675 2HD1 LEU 73 2HD1 LEU 73 -9.486 3.316 11.080 1676 3HD1 LEU 73 3HD1 LEU 73 -10.091 2.454 9.664 1677 1HD2 LEU 73 1HD2 LEU 73 -7.328 1.203 12.231 1678 2HD2 LEU 73 2HD2 LEU 73 -6.255 2.160 11.212 1679 3HD2 LEU 73 3HD2 LEU 73 -7.591 2.937 12.059 1680 H LEU 74 H LEU 74 -9.060 -2.877 10.184 1681 HA LEU 74 HA LEU 74 -11.533 -2.783 8.918 1682 1HB LEU 74 2HB LEU 74 -9.567 -4.493 8.857 1683 2HB LEU 74 3HB LEU 74 -10.420 -5.275 10.170 1684 HG LEU 74 HG LEU 74 -12.434 -5.224 8.474 1685 1HD1 LEU 74 1HD1 LEU 74 -10.468 -4.076 6.903 1686 2HD1 LEU 74 2HD1 LEU 74 -10.524 -5.755 6.363 1687 3HD1 LEU 74 3HD1 LEU 74 -11.987 -4.773 6.338 1688 1HD2 LEU 74 1HD2 LEU 74 -10.560 -7.098 9.314 1689 2HD2 LEU 74 2HD2 LEU 74 -12.095 -7.422 8.506 1690 3HD2 LEU 74 3HD2 LEU 74 -10.612 -7.274 7.558 1691 H ALA 75 H ALA 75 -10.697 -4.167 12.071 1692 HA ALA 75 HA ALA 75 -13.291 -4.980 12.742 1693 1HB ALA 75 1HB ALA 75 -10.694 -5.063 13.909 1694 2HB ALA 75 2HB ALA 75 -11.864 -4.558 15.129 1695 3HB ALA 75 3HB ALA 75 -12.102 -6.069 14.251 1696 H LYS 76 H LYS 76 -11.701 -1.886 13.182 1697 HA LYS 76 HA LYS 76 -13.808 -1.010 14.997 1698 1HB LYS 76 2HB LYS 76 -12.464 1.233 14.761 1699 2HB LYS 76 3HB LYS 76 -11.877 -0.068 15.786 1700 1HG LYS 76 2HG LYS 76 -10.348 -0.774 14.037 1701 2HG LYS 76 3HG LYS 76 -10.961 0.496 12.975 1702 1HD LYS 76 2HD LYS 76 -9.868 1.174 15.678 1703 2HD LYS 76 3HD LYS 76 -8.779 0.905 14.317 1704 1HE LYS 76 2HE LYS 76 -9.251 2.895 13.430 1705 2HE LYS 76 3HE LYS 76 -10.986 2.649 13.615 1706 1HZ LYS 76 HZ1 LYS 76 -9.770 3.136 16.134 1707 2HZ LYS 76 HZ2 LYS 76 -9.386 4.378 15.043 1708 3HZ LYS 76 HZ3 LYS 76 -11.006 3.997 15.355 1709 H SER 77 H SER 77 -13.215 -1.062 11.676 1710 HA SER 77 HA SER 77 -14.560 1.363 10.988 1711 1HB SER 77 2HB SER 77 -13.743 -1.080 9.421 1712 2HB SER 77 3HB SER 77 -14.699 0.209 8.687 1713 HG SER 77 HG SER 77 -12.078 0.318 9.742 1714 H GLY 78 H GLY 78 -15.551 -1.899 11.722 1715 1HA GLY 78 1HA GLY 78 -17.715 -2.495 12.382 1716 2HA GLY 78 2HA GLY 78 -18.328 -1.024 11.639 1717 H LEU 79 H LEU 79 -16.678 -4.027 10.670 1718 HA LEU 79 HA LEU 79 -18.470 -4.132 8.338 1719 1HB LEU 79 2HB LEU 79 -15.690 -5.247 8.706 1720 2HB LEU 79 3HB LEU 79 -16.712 -5.599 7.325 1721 HG LEU 79 HG LEU 79 -16.244 -2.735 7.906 1722 1HD1 LEU 79 1HD1 LEU 79 -14.064 -4.586 7.684 1723 2HD1 LEU 79 2HD1 LEU 79 -14.095 -3.509 6.286 1724 3HD1 LEU 79 3HD1 LEU 79 -14.030 -2.836 7.915 1725 1HD2 LEU 79 1HD2 LEU 79 -17.311 -4.245 5.847 1726 2HD2 LEU 79 2HD2 LEU 79 -16.907 -2.529 5.792 1727 3HD2 LEU 79 3HD2 LEU 79 -15.740 -3.730 5.235 1728 H ASP 80 H ASP 80 -19.606 -5.997 7.940 1729 HA ASP 80 HA ASP 80 -19.406 -8.106 9.981 1730 1HB ASP 80 2HB ASP 80 -21.557 -6.581 9.636 1731 2HB ASP 80 3HB ASP 80 -21.868 -7.714 8.329 1732 HA PRO 81 HA PRO 81 -17.766 -10.631 6.844 1733 1HB PRO 81 2HB PRO 81 -18.775 -13.077 7.767 1734 2HB PRO 81 3HB PRO 81 -17.256 -12.313 8.249 1735 1HG PRO 81 2HG PRO 81 -19.916 -12.275 9.602 1736 2HG PRO 81 3HG PRO 81 -18.292 -12.348 10.312 1737 1HD PRO 81 2HD PRO 81 -19.683 -10.080 10.337 1738 2HD PRO 81 3HD PRO 81 -17.934 -10.066 10.023 1739 H GLU 82 H GLU 82 -21.196 -10.407 7.139 1740 HA GLU 82 HA GLU 82 -21.610 -12.211 4.894 1741 1HB GLU 82 2HB GLU 82 -24.025 -11.002 5.454 1742 2HB GLU 82 3HB GLU 82 -23.518 -12.592 5.987 1743 1HG GLU 82 2HG GLU 82 -23.037 -11.847 8.116 1744 2HG GLU 82 3HG GLU 82 -22.834 -10.173 7.594 1745 H LYS 83 H LYS 83 -20.930 -8.979 5.427 1746 HA LYS 83 HA LYS 83 -22.522 -7.852 3.349 1747 1HB LYS 83 2HB LYS 83 -20.519 -6.917 5.304 1748 2HB LYS 83 3HB LYS 83 -20.625 -5.985 3.814 1749 1HG LYS 83 2HG LYS 83 -22.259 -4.887 4.853 1750 2HG LYS 83 3HG LYS 83 -23.235 -6.296 4.446 1751 1HD LYS 83 2HD LYS 83 -21.661 -6.319 6.970 1752 2HD LYS 83 3HD LYS 83 -23.155 -5.380 6.902 1753 1HE LYS 83 2HE LYS 83 -23.295 -8.121 5.817 1754 2HE LYS 83 3HE LYS 83 -23.046 -7.998 7.556 1755 1HZ LYS 83 HZ1 LYS 83 -25.242 -6.660 6.065 1756 2HZ LYS 83 HZ2 LYS 83 -25.397 -8.120 6.919 1757 3HZ LYS 83 HZ3 LYS 83 -25.030 -6.689 7.751 1758 HA PRO 84 HA PRO 84 -19.598 -8.848 0.068 1759 1HB PRO 84 2HB PRO 84 -21.412 -7.462 -1.704 1760 2HB PRO 84 3HB PRO 84 -21.076 -9.191 -1.623 1761 1HG PRO 84 2HG PRO 84 -23.475 -8.082 -0.932 1762 2HG PRO 84 3HG PRO 84 -22.861 -9.603 -0.257 1763 1HD PRO 84 2HD PRO 84 -22.827 -6.850 0.924 1764 2HD PRO 84 3HD PRO 84 -23.175 -8.412 1.706 1765 H VAL 85 H VAL 85 -17.860 -7.527 -0.010 1766 HA VAL 85 HA VAL 85 -18.397 -4.647 -0.280 1767 HB VAL 85 HB VAL 85 -16.467 -4.132 1.041 1768 1HG1 VAL 85 1HG1 VAL 85 -18.715 -5.514 2.036 1769 2HG1 VAL 85 2HG1 VAL 85 -17.316 -6.058 2.962 1770 3HG1 VAL 85 3HG1 VAL 85 -17.699 -4.339 2.875 1771 1HG2 VAL 85 1HG2 VAL 85 -15.414 -6.484 0.220 1772 2HG2 VAL 85 2HG2 VAL 85 -14.782 -5.521 1.557 1773 3HG2 VAL 85 3HG2 VAL 85 -15.861 -6.878 1.881 1774 H VAL 86 H VAL 86 -16.752 -3.368 -1.303 1775 HA VAL 86 HA VAL 86 -15.139 -4.888 -3.231 1776 HB VAL 86 HB VAL 86 -16.818 -3.924 -4.577 1777 1HG1 VAL 86 1HG1 VAL 86 -17.557 -2.368 -2.657 1778 2HG1 VAL 86 2HG1 VAL 86 -16.481 -1.192 -3.412 1779 3HG1 VAL 86 3HG1 VAL 86 -17.834 -1.861 -4.323 1780 1HG2 VAL 86 1HG2 VAL 86 -14.242 -3.224 -4.961 1781 2HG2 VAL 86 2HG2 VAL 86 -15.545 -2.834 -6.083 1782 3HG2 VAL 86 3HG2 VAL 86 -15.002 -1.634 -4.912 1783 H VAL 87 H VAL 87 -13.052 -4.189 -3.492 1784 HA VAL 87 HA VAL 87 -12.196 -2.084 -1.625 1785 HB VAL 87 HB VAL 87 -9.895 -3.242 -1.907 1786 1HG1 VAL 87 1HG1 VAL 87 -12.224 -4.117 -0.282 1787 2HG1 VAL 87 2HG1 VAL 87 -10.747 -5.077 -0.215 1788 3HG1 VAL 87 3HG1 VAL 87 -10.709 -3.369 0.222 1789 1HG2 VAL 87 1HG2 VAL 87 -11.372 -4.869 -3.620 1790 2HG2 VAL 87 2HG2 VAL 87 -9.739 -5.163 -3.022 1791 3HG2 VAL 87 3HG2 VAL 87 -11.125 -5.843 -2.168 1792 H PHE 88 H PHE 88 -11.476 -0.292 -2.465 1793 HA PHE 88 HA PHE 88 -11.207 -0.021 -5.314 1794 1HB PHE 88 2HB PHE 88 -12.161 1.639 -3.453 1795 2HB PHE 88 3HB PHE 88 -10.495 2.198 -3.439 1796 HD1 PHE 88 HD1 PHE 88 -12.129 0.958 -6.491 1797 HD2 PHE 88 HD2 PHE 88 -11.037 4.415 -4.247 1798 HE1 PHE 88 HE1 PHE 88 -12.535 2.361 -8.453 1799 HE2 PHE 88 HE2 PHE 88 -11.442 5.811 -6.213 1800 HZ PHE 88 HZ PHE 88 -12.194 4.788 -8.319 1801 H CYS 89 H CYS 89 -9.341 1.103 -6.304 1802 HA CYS 89 HA CYS 89 -7.170 1.429 -6.778 1803 1HB CYS 89 2HB CYS 89 -7.479 1.980 -3.958 1804 2HB CYS 89 3HB CYS 89 -5.845 1.438 -4.323 1805 H LYS 90 H LYS 90 -6.764 -0.540 -7.825 1806 HA LYS 90 HA LYS 90 -5.109 -2.409 -6.255 1807 1HB LYS 90 2HB LYS 90 -6.083 -4.059 -7.427 1808 2HB LYS 90 3HB LYS 90 -6.986 -2.892 -8.374 1809 1HG LYS 90 2HG LYS 90 -5.877 -4.032 -10.021 1810 2HG LYS 90 3HG LYS 90 -4.760 -2.700 -9.738 1811 1HD LYS 90 2HD LYS 90 -3.617 -4.318 -8.067 1812 2HD LYS 90 3HD LYS 90 -4.519 -5.579 -8.911 1813 1HE LYS 90 2HE LYS 90 -3.030 -5.588 -10.562 1814 2HE LYS 90 3HE LYS 90 -3.291 -3.869 -10.843 1815 1HZ LYS 90 HZ1 LYS 90 -1.411 -4.970 -8.815 1816 2HZ LYS 90 HZ2 LYS 90 -0.949 -4.447 -10.350 1817 3HZ LYS 90 HZ3 LYS 90 -1.594 -3.344 -9.241 1818 H THR 91 H THR 91 -5.252 -0.143 -8.871 1819 HA THR 91 HA THR 91 -2.942 -0.632 -10.249 1820 HB THR 91 HB THR 91 -3.375 2.210 -9.988 1821 HG1 THR 91 HG1 THR 91 -5.675 1.743 -10.933 1822 1HG2 THR 91 1HG2 THR 91 -2.545 0.741 -11.956 1823 2HG2 THR 91 2HG2 THR 91 -4.259 0.476 -12.274 1824 3HG2 THR 91 3HG2 THR 91 -3.598 2.112 -12.311 1825 H ALA 92 H ALA 92 -3.281 1.629 -7.490 1826 HA ALA 92 HA ALA 92 -0.354 1.738 -7.368 1827 1HB ALA 92 1HB ALA 92 -2.519 3.611 -6.602 1828 2HB ALA 92 2HB ALA 92 -1.036 3.643 -5.647 1829 3HB ALA 92 3HB ALA 92 -0.970 3.924 -7.387 1830 H ALA 93 H ALA 93 -3.139 1.454 -5.169 1831 HA ALA 93 HA ALA 93 -1.503 0.824 -2.931 1832 1HB ALA 93 1HB ALA 93 -3.928 1.859 -3.131 1833 2HB ALA 93 2HB ALA 93 -4.389 0.176 -2.874 1834 3HB ALA 93 3HB ALA 93 -3.383 1.007 -1.686 1835 H ARG 94 H ARG 94 -3.654 -1.114 -4.956 1836 HA ARG 94 HA ARG 94 -3.836 -3.351 -5.331 1837 1HB ARG 94 2HB ARG 94 -1.282 -3.418 -5.058 1838 2HB ARG 94 3HB ARG 94 -1.600 -3.944 -3.410 1839 1HG ARG 94 2HG ARG 94 -2.267 -6.001 -4.048 1840 2HG ARG 94 3HG ARG 94 -3.037 -5.415 -5.525 1841 1HD ARG 94 2HD ARG 94 -1.286 -6.511 -6.466 1842 2HD ARG 94 3HD ARG 94 -0.499 -4.958 -6.185 1843 HE ARG 94 HE ARG 94 -0.287 -6.979 -4.089 1844 1HH1 ARG 94 1HH1 ARG 94 1.195 -5.463 -6.875 1845 2HH1 ARG 94 2HH1 ARG 94 2.815 -5.770 -6.328 1846 1HH2 ARG 94 1HH2 ARG 94 1.847 -7.425 -3.397 1847 2HH2 ARG 94 2HH2 ARG 94 3.187 -6.899 -4.359 1848 H ALA 95 H ALA 95 -5.760 -2.804 -4.176 1849 HA ALA 95 HA ALA 95 -6.110 -3.202 -1.406 1850 1HB ALA 95 1HB ALA 95 -7.579 -1.986 -3.173 1851 2HB ALA 95 2HB ALA 95 -8.331 -3.572 -3.358 1852 3HB ALA 95 3HB ALA 95 -8.336 -2.771 -1.786 1853 H ALA 96 H ALA 96 -5.339 -5.443 -3.648 1854 HA ALA 96 HA ALA 96 -7.097 -7.554 -3.366 1855 1HB ALA 96 1HB ALA 96 -4.536 -7.123 -4.515 1856 2HB ALA 96 2HB ALA 96 -4.494 -8.638 -3.617 1857 3HB ALA 96 3HB ALA 96 -5.707 -8.391 -4.872 1858 H LEU 97 H LEU 97 -4.592 -6.474 -1.186 1859 HA LEU 97 HA LEU 97 -4.640 -8.882 0.396 1860 1HB LEU 97 2HB LEU 97 -3.202 -6.320 0.469 1861 2HB LEU 97 3HB LEU 97 -3.561 -6.999 2.047 1862 HG LEU 97 HG LEU 97 -1.364 -7.713 1.375 1863 1HD1 LEU 97 1HD1 LEU 97 -2.838 -9.322 2.575 1864 2HD1 LEU 97 2HD1 LEU 97 -3.250 -10.036 1.015 1865 3HD1 LEU 97 3HD1 LEU 97 -1.585 -10.086 1.596 1866 1HD2 LEU 97 1HD2 LEU 97 -2.707 -8.175 -1.199 1867 2HD2 LEU 97 2HD2 LEU 97 -1.037 -7.726 -0.850 1868 3HD2 LEU 97 3HD2 LEU 97 -1.542 -9.412 -0.725 1869 H ALA 98 H ALA 98 -6.295 -5.801 0.400 1870 HA ALA 98 HA ALA 98 -7.381 -6.091 3.023 1871 1HB ALA 98 1HB ALA 98 -7.057 -3.938 1.647 1872 2HB ALA 98 2HB ALA 98 -8.589 -4.370 0.887 1873 3HB ALA 98 3HB ALA 98 -8.513 -4.098 2.628 1874 H GLY 99 H GLY 99 -8.430 -6.919 -0.225 1875 1HA GLY 99 1HA GLY 99 -11.082 -7.611 0.738 1876 2HA GLY 99 2HA GLY 99 -10.558 -7.572 -0.936 1877 H LYS 100 H LYS 100 -8.572 -9.331 -1.143 1878 HA LYS 100 HA LYS 100 -10.002 -11.677 -1.320 1879 1HB LYS 100 2HB LYS 100 -8.248 -12.484 -2.486 1880 2HB LYS 100 3HB LYS 100 -7.701 -10.817 -2.399 1881 1HG LYS 100 2HG LYS 100 -6.002 -11.303 -0.985 1882 2HG LYS 100 3HG LYS 100 -6.886 -12.605 -0.187 1883 1HD LYS 100 2HD LYS 100 -6.543 -13.486 -2.801 1884 2HD LYS 100 3HD LYS 100 -5.008 -12.721 -2.384 1885 1HE LYS 100 2HE LYS 100 -4.624 -14.830 -1.599 1886 2HE LYS 100 3HE LYS 100 -5.316 -14.086 -0.158 1887 1HZ LYS 100 HZ1 LYS 100 -7.494 -15.012 -1.489 1888 2HZ LYS 100 HZ2 LYS 100 -6.339 -16.214 -1.793 1889 3HZ LYS 100 HZ3 LYS 100 -6.719 -15.795 -0.191 1890 H THR 101 H THR 101 -8.047 -10.570 1.327 1891 HA THR 101 HA THR 101 -7.832 -13.084 2.658 1892 HB THR 101 HB THR 101 -7.776 -10.488 4.151 1893 HG1 THR 101 HG1 THR 101 -6.278 -9.753 2.848 1894 1HG2 THR 101 1HG2 THR 101 -7.303 -12.867 5.080 1895 2HG2 THR 101 2HG2 THR 101 -5.760 -12.706 4.242 1896 3HG2 THR 101 3HG2 THR 101 -6.206 -11.551 5.499 1897 H LEU 102 H LEU 102 -10.138 -10.434 2.684 1898 HA LEU 102 HA LEU 102 -11.581 -11.167 4.975 1899 1HB LEU 102 2HB LEU 102 -12.186 -9.518 2.558 1900 2HB LEU 102 3HB LEU 102 -13.467 -9.886 3.699 1901 HG LEU 102 HG LEU 102 -10.915 -8.385 4.270 1902 1HD1 LEU 102 1HD1 LEU 102 -13.771 -7.633 3.889 1903 2HD1 LEU 102 2HD1 LEU 102 -12.771 -6.700 5.002 1904 3HD1 LEU 102 3HD1 LEU 102 -12.307 -6.840 3.306 1905 1HD2 LEU 102 1HD2 LEU 102 -11.586 -9.898 6.127 1906 2HD2 LEU 102 2HD2 LEU 102 -11.656 -8.186 6.544 1907 3HD2 LEU 102 3HD2 LEU 102 -13.140 -9.069 6.185 1908 H ARG 103 H ARG 103 -12.143 -11.955 1.551 1909 HA ARG 103 HA ARG 103 -14.515 -13.420 2.036 1910 1HB ARG 103 2HB ARG 103 -14.071 -14.421 -0.236 1911 2HB ARG 103 3HB ARG 103 -14.181 -12.669 -0.177 1912 1HG ARG 103 2HG ARG 103 -12.019 -12.377 -0.748 1913 2HG ARG 103 3HG ARG 103 -11.481 -13.839 0.076 1914 1HD ARG 103 2HD ARG 103 -13.237 -14.185 -2.271 1915 2HD ARG 103 3HD ARG 103 -11.601 -13.612 -2.577 1916 HE ARG 103 HE ARG 103 -10.744 -15.637 -1.828 1917 1HH1 ARG 103 1HH1 ARG 103 -14.251 -15.560 -1.576 1918 2HH1 ARG 103 2HH1 ARG 103 -14.392 -17.273 -1.317 1919 1HH2 ARG 103 1HH2 ARG 103 -10.941 -17.895 -1.503 1920 2HH2 ARG 103 2HH2 ARG 103 -12.522 -18.598 -1.267 1921 H GLU 104 H GLU 104 -11.175 -14.208 2.278 1922 HA GLU 104 HA GLU 104 -11.441 -17.054 2.371 1923 1HB GLU 104 2HB GLU 104 -9.293 -15.089 3.065 1924 2HB GLU 104 3HB GLU 104 -9.152 -16.752 3.613 1925 1HG GLU 104 2HG GLU 104 -9.682 -17.237 1.061 1926 2HG GLU 104 3HG GLU 104 -8.978 -15.630 0.880 1927 H TYR 105 H TYR 105 -12.513 -14.681 4.417 1928 HA TYR 105 HA TYR 105 -12.258 -16.408 6.788 1929 1HB TYR 105 HB2 TYR 105 -12.693 -13.418 6.648 1930 2HB TYR 105 HB3 TYR 105 -12.714 -14.364 8.135 1931 HD1 TYR 105 HD1 TYR 105 -10.428 -16.248 7.132 1932 HD2 TYR 105 HD2 TYR 105 -10.847 -12.025 7.395 1933 HE1 TYR 105 HE1 TYR 105 -7.989 -16.026 7.296 1934 HE2 TYR 105 HE2 TYR 105 -8.406 -11.792 7.559 1935 HH TYR 105 HH TYR 105 -6.415 -13.846 8.448 1936 H GLY 106 H GLY 106 -14.411 -15.379 4.438 1937 1HA GLY 106 1HA GLY 106 -16.494 -16.763 4.672 1938 2HA GLY 106 2HA GLY 106 -16.683 -15.975 6.229 1939 H PHE 107 H PHE 107 -15.459 -13.748 4.053 1940 HA PHE 107 HA PHE 107 -17.869 -12.262 4.003 1941 1HB PHE 107 2HB PHE 107 -15.150 -11.943 2.858 1942 2HB PHE 107 3HB PHE 107 -16.446 -11.048 2.071 1943 HD1 PHE 107 HD1 PHE 107 -15.228 -11.777 5.526 1944 HD2 PHE 107 HD2 PHE 107 -16.852 -8.919 2.821 1945 HE1 PHE 107 HE1 PHE 107 -15.088 -10.046 7.271 1946 HE2 PHE 107 HE2 PHE 107 -16.712 -7.185 4.561 1947 HZ PHE 107 HZ PHE 107 -15.832 -7.749 6.790 1948 H LYS 108 H LYS 108 -19.442 -12.113 2.525 1949 HA LYS 108 HA LYS 108 -19.966 -14.290 0.892 1950 1HB LYS 108 2HB LYS 108 -21.222 -11.700 1.460 1951 2HB LYS 108 3HB LYS 108 -21.597 -12.334 -0.136 1952 1HG LYS 108 2HG LYS 108 -22.149 -14.522 1.115 1953 2HG LYS 108 3HG LYS 108 -22.218 -13.493 2.547 1954 1HD LYS 108 2HD LYS 108 -23.680 -12.216 0.468 1955 2HD LYS 108 3HD LYS 108 -24.203 -13.900 0.557 1956 1HE LYS 108 2HE LYS 108 -24.906 -13.696 2.764 1957 2HE LYS 108 3HE LYS 108 -23.932 -12.252 3.041 1958 1HZ LYS 108 HZ1 LYS 108 -26.268 -12.330 1.209 1959 2HZ LYS 108 HZ2 LYS 108 -26.364 -11.840 2.830 1960 3HZ LYS 108 HZ3 LYS 108 -25.419 -10.959 1.732 1961 H THR 109 H THR 109 -20.044 -11.092 -0.579 1962 HA THR 109 HA THR 109 -18.503 -12.184 -2.832 1963 HB THR 109 HB THR 109 -20.240 -9.827 -3.268 1964 HG1 THR 109 HG1 THR 109 -21.281 -12.456 -2.829 1965 1HG2 THR 109 1HG2 THR 109 -19.511 -12.337 -4.758 1966 2HG2 THR 109 2HG2 THR 109 -20.803 -11.270 -5.308 1967 3HG2 THR 109 3HG2 THR 109 -19.153 -10.664 -5.184 1968 H ILE 110 H ILE 110 -16.559 -11.315 -3.064 1969 HA ILE 110 HA ILE 110 -16.175 -8.562 -2.114 1970 HB ILE 110 HB ILE 110 -15.002 -10.560 -0.923 1971 1HG1 ILE 110 2HG1 ILE 110 -12.881 -8.664 -1.327 1972 2HG1 ILE 110 3HG1 ILE 110 -14.434 -7.833 -1.242 1973 1HG2 ILE 110 1HG2 ILE 110 -13.849 -10.808 -3.488 1974 2HG2 ILE 110 2HG2 ILE 110 -12.586 -10.266 -2.384 1975 3HG2 ILE 110 3HG2 ILE 110 -13.494 -11.734 -2.029 1976 1HD1 ILE 110 1HD1 ILE 110 -13.913 -9.916 0.791 1977 2HD1 ILE 110 2HD1 ILE 110 -12.995 -8.415 0.911 1978 3HD1 ILE 110 3HD1 ILE 110 -14.758 -8.374 0.930 1979 H TYR 111 H TYR 111 -15.516 -7.086 -3.520 1980 HA TYR 111 HA TYR 111 -14.694 -8.031 -6.188 1981 1HB TYR 111 HB2 TYR 111 -15.840 -5.299 -5.694 1982 2HB TYR 111 HB3 TYR 111 -15.843 -6.248 -7.174 1983 HD1 TYR 111 HD1 TYR 111 -17.426 -5.922 -3.828 1984 HD2 TYR 111 HD2 TYR 111 -17.668 -7.645 -7.720 1985 HE1 TYR 111 HE1 TYR 111 -19.738 -6.624 -3.372 1986 HE2 TYR 111 HE2 TYR 111 -19.980 -8.345 -7.266 1987 HH TYR 111 HH TYR 111 -21.899 -7.287 -5.446 1988 H ASN 112 H ASN 112 -13.007 -6.956 -7.250 1989 HA ASN 112 HA ASN 112 -11.507 -5.026 -5.596 1990 1HB ASN 112 2HB ASN 112 -10.438 -7.359 -6.268 1991 2HB ASN 112 3HB ASN 112 -10.151 -6.530 -7.797 1992 1HD2 ASN 112 1HD2 ASN 112 -8.675 -7.363 -5.091 1993 2HD2 ASN 112 2HD2 ASN 112 -7.574 -6.039 -4.900 1994 H SER 113 H SER 113 -10.873 -3.131 -6.596 1995 HA SER 113 HA SER 113 -12.402 -2.488 -8.962 1996 1HB SER 113 2HB SER 113 -10.602 -0.689 -7.339 1997 2HB SER 113 3HB SER 113 -11.860 -0.194 -8.476 1998 HG SER 113 HG SER 113 -12.465 -1.818 -6.248 1999 H GLU 114 H GLU 114 -11.574 -3.102 -10.815 2000 HA GLU 114 HA GLU 114 -8.746 -3.219 -11.311 2001 1HB GLU 114 2HB GLU 114 -9.787 -3.654 -13.739 2002 2HB GLU 114 3HB GLU 114 -9.722 -4.892 -12.491 2003 1HG GLU 114 2HG GLU 114 -11.971 -4.783 -12.067 2004 2HG GLU 114 3HG GLU 114 -12.111 -3.123 -12.638 2005 H GLY 115 H GLY 115 -10.113 -0.550 -10.860 2006 1HA GLY 115 1HA GLY 115 -9.189 0.745 -13.349 2007 2HA GLY 115 2HA GLY 115 -10.483 1.391 -12.346 2008 H GLY 116 H GLY 116 -9.764 1.742 -9.980 2009 1HA GLY 116 1HA GLY 116 -7.707 2.234 -8.630 2010 2HA GLY 116 2HA GLY 116 -7.136 3.086 -10.062 2011 H MET 117 H MET 117 -7.202 4.492 -7.768 2012 HA MET 117 HA MET 117 -9.629 5.786 -7.174 2013 1HB MET 117 2HB MET 117 -7.609 5.799 -5.712 2014 2HB MET 117 3HB MET 117 -6.828 6.886 -6.852 2015 1HG MET 117 2HG MET 117 -9.400 7.912 -6.084 2016 2HG MET 117 3HG MET 117 -8.417 7.567 -4.663 2017 1HE MET 117 1HE MET 117 -6.966 8.788 -3.724 2018 2HE MET 117 2HE MET 117 -5.994 10.133 -4.324 2019 3HE MET 117 3HE MET 117 -7.684 10.391 -3.894 2020 H ASP 118 H ASP 118 -7.130 6.411 -9.538 2021 HA ASP 118 HA ASP 118 -7.927 8.980 -10.347 2022 1HB ASP 118 2HB ASP 118 -6.488 8.700 -12.185 2023 2HB ASP 118 3HB ASP 118 -5.770 7.716 -10.915 2024 H LYS 119 H LYS 119 -9.142 5.780 -11.135 2025 HA LYS 119 HA LYS 119 -10.670 6.597 -13.392 2026 1HB LYS 119 2HB LYS 119 -10.161 4.155 -11.905 2027 2HB LYS 119 3HB LYS 119 -11.855 4.302 -12.347 2028 1HG LYS 119 2HG LYS 119 -10.394 3.072 -13.978 2029 2HG LYS 119 3HG LYS 119 -11.348 4.397 -14.651 2030 1HD LYS 119 2HD LYS 119 -9.504 5.417 -15.363 2031 2HD LYS 119 3HD LYS 119 -8.828 5.401 -13.733 2032 1HE LYS 119 2HE LYS 119 -8.651 2.775 -14.827 2033 2HE LYS 119 3HE LYS 119 -7.998 3.921 -15.997 2034 1HZ LYS 119 HZ1 LYS 119 -6.905 4.808 -13.718 2035 2HZ LYS 119 HZ2 LYS 119 -6.971 3.143 -13.405 2036 3HZ LYS 119 HZ3 LYS 119 -6.145 3.715 -14.771 2037 H TRP 120 H TRP 120 -11.225 6.435 -9.936 2038 HA TRP 120 HA TRP 120 -14.033 6.669 -9.944 2039 1HB TRP 120 HB2 TRP 120 -12.437 6.208 -7.958 2040 2HB TRP 120 HB3 TRP 120 -12.277 7.959 -7.865 2041 HD1 TRP 120 HD1 TRP 120 -14.220 9.296 -6.798 2042 HE1 TRP 120 HE1 TRP 120 -16.413 8.665 -5.614 2043 HE3 TRP 120 HE3 TRP 120 -14.324 4.306 -7.917 2044 HZ2 TRP 120 HZ2 TRP 120 -17.961 6.350 -5.186 2045 HZ3 TRP 120 HZ3 TRP 120 -16.196 2.955 -7.069 2046 HH2 TRP 120 HH2 TRP 120 -17.972 3.955 -5.728 2047 H LEU 121 H LEU 121 -11.503 9.193 -9.657 2048 HA LEU 121 HA LEU 121 -13.261 11.379 -9.820 2049 1HB LEU 121 2HB LEU 121 -10.356 10.905 -9.972 2050 2HB LEU 121 3HB LEU 121 -10.909 12.327 -10.829 2051 HG LEU 121 HG LEU 121 -11.121 11.757 -7.867 2052 1HD1 LEU 121 1HD1 LEU 121 -9.053 12.778 -9.086 2053 2HD1 LEU 121 2HD1 LEU 121 -10.045 14.235 -9.130 2054 3HD1 LEU 121 3HD1 LEU 121 -9.643 13.489 -7.583 2055 1HD2 LEU 121 1HD2 LEU 121 -13.255 12.687 -8.639 2056 2HD2 LEU 121 2HD2 LEU 121 -12.355 13.851 -7.664 2057 3HD2 LEU 121 3HD2 LEU 121 -12.394 14.014 -9.421 2058 H GLU 122 H GLU 122 -11.456 9.577 -12.284 2059 HA GLU 122 HA GLU 122 -11.949 11.295 -14.445 2060 1HB GLU 122 2HB GLU 122 -10.240 9.738 -14.774 2061 2HB GLU 122 3HB GLU 122 -11.227 8.391 -14.226 2062 1HG GLU 122 2HG GLU 122 -12.428 8.316 -16.249 2063 2HG GLU 122 3HG GLU 122 -11.813 9.886 -16.763 2064 H GLU 123 H GLU 123 -13.750 8.459 -13.324 2065 HA GLU 123 HA GLU 123 -15.574 8.455 -15.499 2066 1HB GLU 123 2HB GLU 123 -15.380 7.041 -12.887 2067 2HB GLU 123 3HB GLU 123 -16.933 7.034 -13.712 2068 1HG GLU 123 2HG GLU 123 -14.315 5.936 -14.691 2069 2HG GLU 123 3HG GLU 123 -15.808 5.063 -14.355 2070 H GLY 124 H GLY 124 -15.282 10.719 -13.192 2071 1HA GLY 124 1HA GLY 124 -16.649 12.503 -12.670 2072 2HA GLY 124 2HA GLY 124 -17.871 11.810 -13.728 2073 H LEU 125 H LEU 125 -16.473 9.964 -11.157 2074 HA LEU 125 HA LEU 125 -19.078 9.639 -9.971 2075 1HB LEU 125 2HB LEU 125 -16.389 8.474 -9.231 2076 2HB LEU 125 3HB LEU 125 -17.911 8.032 -8.478 2077 HG LEU 125 HG LEU 125 -17.153 7.578 -11.367 2078 1HD1 LEU 125 1HD1 LEU 125 -16.724 6.054 -8.998 2079 2HD1 LEU 125 2HD1 LEU 125 -17.869 5.204 -10.038 2080 3HD1 LEU 125 3HD1 LEU 125 -16.288 5.672 -10.665 2081 1HD2 LEU 125 1HD2 LEU 125 -19.695 6.893 -9.890 2082 2HD2 LEU 125 2HD2 LEU 125 -19.522 8.080 -11.183 2083 3HD2 LEU 125 3HD2 LEU 125 -19.283 6.366 -11.524 2084 HA PRO 126 HA PRO 126 -18.986 12.678 -6.866 2085 1HB PRO 126 2HB PRO 126 -19.844 11.221 -4.665 2086 2HB PRO 126 3HB PRO 126 -20.897 11.935 -5.888 2087 1HG PRO 126 2HG PRO 126 -19.880 9.134 -5.660 2088 2HG PRO 126 3HG PRO 126 -21.497 9.708 -6.121 2089 1HD PRO 126 2HD PRO 126 -19.784 8.860 -7.971 2090 2HD PRO 126 3HD PRO 126 -20.807 10.282 -8.276 2091 H SER 127 H SER 127 -17.356 13.550 -5.814 2092 HA SER 127 HA SER 127 -15.501 11.783 -4.365 2093 1HB SER 127 2HB SER 127 -14.370 14.351 -5.055 2094 2HB SER 127 3HB SER 127 -13.814 12.736 -5.507 2095 HG SER 127 HG SER 127 -15.619 12.868 -7.119 2096 H LEU 128 H LEU 128 -14.829 12.397 -2.351 2097 HA LEU 128 HA LEU 128 -16.311 14.585 -1.075 2098 1HB LEU 128 2HB LEU 128 -15.626 11.961 -0.258 2099 2HB LEU 128 3HB LEU 128 -14.666 13.052 0.721 2100 HG LEU 128 HG LEU 128 -17.601 13.544 0.461 2101 1HD1 LEU 128 1HD1 LEU 128 -17.072 11.083 1.024 2102 2HD1 LEU 128 2HD1 LEU 128 -16.525 11.720 2.576 2103 3HD1 LEU 128 3HD1 LEU 128 -18.193 11.970 2.058 2104 1HD2 LEU 128 1HD2 LEU 128 -16.008 15.123 1.592 2105 2HD2 LEU 128 2HD2 LEU 128 -17.345 14.559 2.593 2106 3HD2 LEU 128 3HD2 LEU 128 -15.736 13.868 2.801 2107 H ASP 129 H ASP 129 -15.197 16.392 -1.477 2108 HA ASP 129 HA ASP 129 -12.321 16.427 -0.841 2109 1HB ASP 129 2HB ASP 129 -12.619 16.452 -3.255 2110 2HB ASP 129 3HB ASP 129 -13.769 17.776 -3.130 2111 H ARG 130 H ARG 130 -11.532 18.302 0.171 2112 HA ARG 130 HA ARG 130 -13.367 19.617 1.843 2113 1HB ARG 130 2HB ARG 130 -10.453 20.004 1.237 2114 2HB ARG 130 3HB ARG 130 -11.304 21.090 2.327 2115 1HG ARG 130 2HG ARG 130 -11.181 19.641 3.996 2116 2HG ARG 130 3HG ARG 130 -11.810 18.329 2.995 2117 1HD ARG 130 2HD ARG 130 -9.777 17.429 3.102 2118 2HD ARG 130 3HD ARG 130 -9.248 18.735 2.041 2119 HE ARG 130 HE ARG 130 -9.216 19.098 4.963 2120 1HH1 ARG 130 1HH1 ARG 130 -7.523 18.955 1.896 2121 2HH1 ARG 130 2HH1 ARG 130 -6.028 19.550 2.545 2122 1HH2 ARG 130 1HH2 ARG 130 -7.255 19.862 5.826 2123 2HH2 ARG 130 2HH2 ARG 130 -5.865 20.049 4.794 2124 H SER 131 H SER 131 -11.969 20.479 -1.240 2125 HA SER 131 HA SER 131 -12.561 23.243 -1.159 2126 1HB SER 131 2HB SER 131 -12.657 21.936 -3.799 2127 2HB SER 131 3HB SER 131 -11.675 23.293 -3.241 2128 HG SER 131 HG SER 131 -11.136 20.566 -3.236 2129 H HIS 132 H HIS 132 -14.145 24.300 -2.604 2130 HA HIS 132 HA HIS 132 -16.290 24.736 -3.274 2131 1HB HIS 132 2HB HIS 132 -16.539 21.750 -3.053 2132 2HB HIS 132 3HB HIS 132 -17.983 22.743 -3.212 2133 HD1 HIS 132 HD1 HIS 132 -15.392 21.107 -5.160 2134 HD2 HIS 132 HD2 HIS 132 -17.945 24.352 -5.676 2135 HE1 HIS 132 HE1 HIS 132 -15.444 21.546 -7.636 2136 HE2 HIS 132 HE2 HIS 132 -17.144 23.382 -7.938 2137 H HIS 133 H HIS 133 -15.087 24.034 -0.459 2138 HA HIS 133 HA HIS 133 -17.481 24.897 0.999 2139 1HB HIS 133 2HB HIS 133 -15.482 22.925 2.141 2140 2HB HIS 133 3HB HIS 133 -16.975 23.478 2.888 2141 HD1 HIS 133 HD1 HIS 133 -15.602 20.908 0.655 2142 HD2 HIS 133 HD2 HIS 133 -19.350 22.399 1.655 2143 HE1 HIS 133 HE1 HIS 133 -17.249 19.200 -0.170 2144 HE2 HIS 133 HE2 HIS 133 -19.510 20.231 0.253 2145 H HIS 134 H HIS 134 -16.314 25.240 3.465 2146 HA HIS 134 HA HIS 134 -15.077 26.714 4.676 2147 1HB HIS 134 2HB HIS 134 -13.284 25.203 3.032 2148 2HB HIS 134 3HB HIS 134 -12.651 26.835 3.210 2149 HD1 HIS 134 HD1 HIS 134 -11.205 27.133 5.179 2150 HD2 HIS 134 HD2 HIS 134 -13.995 24.097 5.759 2151 HE1 HIS 134 HE1 HIS 134 -10.684 26.148 7.437 2152 HE2 HIS 134 HE2 HIS 134 -12.437 24.376 7.811 2153 H HIS 135 H HIS 135 -16.750 27.941 2.835 2154 HA HIS 135 HA HIS 135 -15.230 30.035 1.518 2155 1HB HIS 135 2HB HIS 135 -17.799 28.874 1.153 2156 2HB HIS 135 3HB HIS 135 -18.041 30.577 1.532 2157 HD1 HIS 135 HD1 HIS 135 -16.292 32.197 -0.010 2158 HD2 HIS 135 HD2 HIS 135 -17.450 28.480 -1.487 2159 HE1 HIS 135 HE1 HIS 135 -15.902 32.298 -2.493 2160 HE2 HIS 135 HE2 HIS 135 -16.590 30.038 -3.370 2161 H HIS 136 H HIS 136 -17.366 29.605 4.273 2162 HA HIS 136 HA HIS 136 -16.697 32.347 5.109 2163 1HB HIS 136 2HB HIS 136 -18.735 32.550 6.252 2164 2HB HIS 136 3HB HIS 136 -19.175 31.746 4.754 2165 HD1 HIS 136 HD1 HIS 136 -20.073 29.338 4.918 2166 HD2 HIS 136 HD2 HIS 136 -19.043 31.005 8.587 2167 HE1 HIS 136 HE1 HIS 136 -21.028 27.793 6.660 2168 HE2 HIS 136 HE2 HIS 136 -20.294 28.756 8.872 2169 H HIS 137 H HIS 137 -15.590 32.637 6.926 2170 HA HIS 137 HA HIS 137 -14.427 30.342 8.189 2171 1HB HIS 137 2HB HIS 137 -12.831 31.961 8.232 2172 2HB HIS 137 3HB HIS 137 -14.010 33.263 8.189 2173 HD1 HIS 137 HD1 HIS 137 -14.743 34.279 10.434 2174 HD2 HIS 137 HD2 HIS 137 -12.018 31.155 10.807 2175 HE1 HIS 137 HE1 HIS 137 -13.943 34.350 12.819 2176 HE2 HIS 137 HE2 HIS 137 -12.153 32.581 12.960 Start of MODEL 6 1 1H ALA 1 H1 ALA 1 -24.012 -12.208 12.984 2 2H ALA 1 H2 ALA 1 -22.883 -11.318 12.075 3 3H ALA 1 H3 ALA 1 -22.500 -11.836 13.642 4 HA ALA 1 HA ALA 1 -24.482 -9.788 12.850 5 1HB ALA 1 1HB ALA 1 -24.278 -11.415 15.294 6 2HB ALA 1 2HB ALA 1 -24.452 -9.679 15.553 7 3HB ALA 1 3HB ALA 1 -25.659 -10.556 14.611 8 H ASP 2 H ASP 2 -21.678 -10.663 14.810 9 HA ASP 2 HA ASP 2 -20.336 -8.218 14.044 10 1HB ASP 2 2HB ASP 2 -19.784 -7.586 16.365 11 2HB ASP 2 3HB ASP 2 -21.513 -7.501 16.064 12 H MET 3 H MET 3 -19.725 -10.542 13.077 13 HA MET 3 HA MET 3 -18.007 -12.136 14.713 14 1HB MET 3 2HB MET 3 -18.870 -12.147 11.863 15 2HB MET 3 3HB MET 3 -17.439 -13.070 12.297 16 1HG MET 3 2HG MET 3 -18.894 -14.711 12.708 17 2HG MET 3 3HG MET 3 -19.163 -13.860 14.227 18 1HE MET 3 1HE MET 3 -20.250 -15.069 11.024 19 2HE MET 3 2HE MET 3 -21.984 -14.766 10.923 20 3HE MET 3 3HE MET 3 -20.842 -13.555 10.341 21 H GLY 4 H GLY 4 -17.403 -9.192 13.833 22 1HA GLY 4 1HA GLY 4 -15.064 -9.062 12.360 23 2HA GLY 4 2HA GLY 4 -15.486 -7.932 13.636 24 H GLU 5 H GLU 5 -15.486 -9.964 15.686 25 HA GLU 5 HA GLU 5 -12.757 -9.879 16.484 26 1HB GLU 5 2HB GLU 5 -15.085 -11.480 17.552 27 2HB GLU 5 3HB GLU 5 -13.509 -11.386 18.326 28 1HG GLU 5 2HG GLU 5 -14.144 -8.751 18.001 29 2HG GLU 5 3HG GLU 5 -15.716 -9.484 18.325 30 H LYS 6 H LYS 6 -14.737 -12.245 14.893 31 HA LYS 6 HA LYS 6 -13.086 -14.490 15.326 32 1HB LYS 6 2HB LYS 6 -15.174 -13.974 13.207 33 2HB LYS 6 3HB LYS 6 -14.415 -15.534 13.487 34 1HG LYS 6 2HG LYS 6 -15.792 -14.124 15.727 35 2HG LYS 6 3HG LYS 6 -16.729 -15.019 14.527 36 1HD LYS 6 2HD LYS 6 -14.700 -16.765 15.164 37 2HD LYS 6 3HD LYS 6 -15.060 -15.994 16.711 38 1HE LYS 6 2HE LYS 6 -17.274 -17.010 14.977 39 2HE LYS 6 3HE LYS 6 -16.368 -18.123 16.002 40 1HZ LYS 6 HZ1 LYS 6 -17.029 -15.948 17.586 41 2HZ LYS 6 HZ2 LYS 6 -18.435 -16.337 16.720 42 3HZ LYS 6 HZ3 LYS 6 -17.669 -17.515 17.669 43 H PHE 7 H PHE 7 -13.553 -12.596 12.309 44 HA PHE 7 HA PHE 7 -11.402 -14.020 11.094 45 1HB PHE 7 2HB PHE 7 -11.729 -12.325 9.202 46 2HB PHE 7 3HB PHE 7 -13.039 -13.436 9.559 47 HD1 PHE 7 HD1 PHE 7 -11.888 -9.988 10.386 48 HD2 PHE 7 HD2 PHE 7 -15.163 -12.617 9.730 49 HE1 PHE 7 HE1 PHE 7 -13.433 -8.082 10.506 50 HE2 PHE 7 HE2 PHE 7 -16.717 -10.715 9.852 51 HZ PHE 7 HZ PHE 7 -15.851 -8.441 10.235 52 H ASP 8 H ASP 8 -11.621 -10.974 12.744 53 HA ASP 8 HA ASP 8 -9.418 -9.626 11.744 54 1HB ASP 8 2HB ASP 8 -10.536 -8.303 13.248 55 2HB ASP 8 3HB ASP 8 -10.799 -9.623 14.381 56 H ALA 9 H ALA 9 -9.483 -12.069 14.317 57 HA ALA 9 HA ALA 9 -6.750 -12.059 14.941 58 1HB ALA 9 1HB ALA 9 -9.002 -13.966 15.303 59 2HB ALA 9 2HB ALA 9 -7.358 -14.556 15.551 60 3HB ALA 9 3HB ALA 9 -7.962 -13.202 16.505 61 H THR 10 H THR 10 -8.599 -13.883 12.536 62 HA THR 10 HA THR 10 -6.437 -15.490 11.661 63 HB THR 10 HB THR 10 -8.484 -14.939 9.641 64 HG1 THR 10 HG1 THR 10 -10.154 -15.956 10.923 65 1HG2 THR 10 1HG2 THR 10 -6.947 -17.143 10.723 66 2HG2 THR 10 2HG2 THR 10 -8.645 -17.576 10.523 67 3HG2 THR 10 3HG2 THR 10 -7.718 -16.980 9.146 68 H PHE 11 H PHE 11 -7.836 -12.451 10.453 69 HA PHE 11 HA PHE 11 -6.324 -12.099 8.153 70 1HB PHE 11 2HB PHE 11 -8.227 -10.648 9.352 71 2HB PHE 11 3HB PHE 11 -6.828 -9.716 9.873 72 HD1 PHE 11 HD1 PHE 11 -5.199 -8.952 8.010 73 HD2 PHE 11 HD2 PHE 11 -9.190 -10.239 7.298 74 HE1 PHE 11 HE1 PHE 11 -5.195 -7.760 5.856 75 HE2 PHE 11 HE2 PHE 11 -9.194 -9.053 5.143 76 HZ PHE 11 HZ PHE 11 -7.195 -7.813 4.420 77 H LYS 12 H LYS 12 -5.605 -11.140 11.469 78 HA LYS 12 HA LYS 12 -3.050 -10.025 10.930 79 1HB LYS 12 2HB LYS 12 -4.781 -10.213 13.118 80 2HB LYS 12 3HB LYS 12 -3.321 -11.057 13.608 81 1HG LYS 12 2HG LYS 12 -2.462 -9.081 14.122 82 2HG LYS 12 3HG LYS 12 -2.418 -8.726 12.392 83 1HD LYS 12 2HD LYS 12 -3.740 -6.996 12.943 84 2HD LYS 12 3HD LYS 12 -5.016 -8.214 12.964 85 1HE LYS 12 2HE LYS 12 -3.682 -8.257 15.477 86 2HE LYS 12 3HE LYS 12 -4.089 -6.586 15.095 87 1HZ LYS 12 HZ1 LYS 12 -6.369 -7.878 14.459 88 2HZ LYS 12 HZ2 LYS 12 -5.819 -8.795 15.776 89 3HZ LYS 12 HZ3 LYS 12 -6.065 -7.131 15.951 90 H ALA 13 H ALA 13 -4.200 -13.240 11.474 91 HA ALA 13 HA ALA 13 -1.694 -14.411 12.211 92 1HB ALA 13 1HB ALA 13 -3.982 -15.406 12.636 93 2HB ALA 13 2HB ALA 13 -4.013 -15.843 10.927 94 3HB ALA 13 3HB ALA 13 -2.769 -16.510 11.987 95 H GLN 14 H GLN 14 -3.476 -13.967 9.206 96 HA GLN 14 HA GLN 14 -1.583 -15.349 7.564 97 1HB GLN 14 2HB GLN 14 -3.846 -13.447 6.994 98 2HB GLN 14 3HB GLN 14 -2.791 -14.029 5.713 99 1HG GLN 14 2HG GLN 14 -3.479 -16.352 6.925 100 2HG GLN 14 3HG GLN 14 -4.938 -15.392 7.163 101 1HE2 GLN 14 1HE2 GLN 14 -6.369 -15.939 5.683 102 2HE2 GLN 14 2HE2 GLN 14 -6.057 -16.191 4.001 103 H VAL 15 H VAL 15 -2.298 -11.931 8.166 104 HA VAL 15 HA VAL 15 -0.352 -10.929 6.434 105 HB VAL 15 HB VAL 15 -2.240 -9.850 8.344 106 1HG1 VAL 15 1HG1 VAL 15 0.459 -8.548 8.207 107 2HG1 VAL 15 2HG1 VAL 15 -1.007 -7.638 8.575 108 3HG1 VAL 15 3HG1 VAL 15 -0.497 -8.956 9.630 109 1HG2 VAL 15 1HG2 VAL 15 -1.920 -9.709 5.713 110 2HG2 VAL 15 2HG2 VAL 15 -2.755 -8.451 6.622 111 3HG2 VAL 15 3HG2 VAL 15 -1.071 -8.227 6.152 112 H LYS 16 H LYS 16 -0.115 -11.766 9.865 113 HA LYS 16 HA LYS 16 2.346 -10.499 10.378 114 1HB LYS 16 2HB LYS 16 0.647 -12.476 11.709 115 2HB LYS 16 3HB LYS 16 2.361 -12.696 12.039 116 1HG LYS 16 2HG LYS 16 2.536 -10.738 13.188 117 2HG LYS 16 3HG LYS 16 1.255 -9.954 12.261 118 1HD LYS 16 2HD LYS 16 -0.204 -10.414 13.870 119 2HD LYS 16 3HD LYS 16 0.118 -12.139 13.679 120 1HE LYS 16 2HE LYS 16 2.240 -11.585 15.116 121 2HE LYS 16 3HE LYS 16 1.287 -10.185 15.609 122 1HZ LYS 16 HZ1 LYS 16 0.046 -12.845 15.709 123 2HZ LYS 16 HZ2 LYS 16 1.153 -12.418 16.922 124 3HZ LYS 16 HZ3 LYS 16 -0.241 -11.484 16.678 125 H ALA 17 H ALA 17 1.564 -13.533 8.861 126 HA ALA 17 HA ALA 17 4.098 -14.758 9.044 127 1HB ALA 17 1HB ALA 17 2.074 -16.002 8.480 128 2HB ALA 17 2HB ALA 17 1.958 -15.129 6.952 129 3HB ALA 17 3HB ALA 17 3.316 -16.215 7.247 130 H ALA 18 H ALA 18 2.834 -12.276 6.988 131 HA ALA 18 HA ALA 18 4.750 -12.547 4.896 132 1HB ALA 18 1HB ALA 18 2.469 -11.442 4.751 133 2HB ALA 18 2HB ALA 18 3.214 -10.045 5.525 134 3HB ALA 18 3HB ALA 18 3.806 -10.607 3.962 135 H LYS 19 H LYS 19 4.675 -10.736 7.921 136 HA LYS 19 HA LYS 19 7.111 -9.294 7.303 137 1HB LYS 19 2HB LYS 19 6.789 -8.130 9.246 138 2HB LYS 19 3HB LYS 19 5.130 -8.602 8.914 139 1HG LYS 19 2HG LYS 19 5.141 -10.242 10.582 140 2HG LYS 19 3HG LYS 19 6.903 -10.249 10.686 141 1HD LYS 19 2HD LYS 19 6.117 -7.614 11.236 142 2HD LYS 19 3HD LYS 19 4.990 -8.643 12.121 143 1HE LYS 19 2HE LYS 19 6.756 -9.733 13.277 144 2HE LYS 19 3HE LYS 19 7.974 -9.022 12.221 145 1HZ LYS 19 HZ1 LYS 19 6.237 -7.406 14.001 146 2HZ LYS 19 HZ2 LYS 19 7.759 -7.986 14.470 147 3HZ LYS 19 HZ3 LYS 19 7.630 -6.899 13.177 148 H ALA 20 H ALA 20 6.119 -12.265 8.587 149 HA ALA 20 HA ALA 20 8.557 -12.824 10.051 150 1HB ALA 20 1HB ALA 20 5.927 -13.875 10.013 151 2HB ALA 20 2HB ALA 20 7.042 -15.191 9.645 152 3HB ALA 20 3HB ALA 20 7.245 -14.251 11.123 153 H ASP 21 H ASP 21 7.424 -13.182 6.859 154 HA ASP 21 HA ASP 21 8.782 -15.519 6.093 155 1HB ASP 21 2HB ASP 21 6.911 -13.953 4.943 156 2HB ASP 21 3HB ASP 21 8.332 -13.443 4.038 157 H MET 22 H MET 22 9.892 -12.288 6.522 158 HA MET 22 HA MET 22 12.477 -13.063 5.347 159 1HB MET 22 2HB MET 22 12.716 -10.539 4.871 160 2HB MET 22 3HB MET 22 11.709 -11.500 3.799 161 1HG MET 22 2HG MET 22 9.776 -10.756 5.345 162 2HG MET 22 3HG MET 22 10.900 -9.499 5.857 163 1HE MET 22 1HE MET 22 12.549 -8.866 3.862 164 2HE MET 22 2HE MET 22 12.104 -9.087 2.169 165 3HE MET 22 3HE MET 22 11.800 -7.542 2.968 166 H VAL 23 H VAL 23 14.171 -11.267 6.096 167 HA VAL 23 HA VAL 23 14.287 -11.524 8.967 168 HB VAL 23 HB VAL 23 16.221 -10.040 7.178 169 1HG1 VAL 23 1HG1 VAL 23 16.283 -11.010 10.004 170 2HG1 VAL 23 2HG1 VAL 23 17.782 -10.871 9.087 171 3HG1 VAL 23 3HG1 VAL 23 16.770 -9.449 9.342 172 1HG2 VAL 23 1HG2 VAL 23 15.963 -12.961 7.787 173 2HG2 VAL 23 2HG2 VAL 23 16.250 -12.165 6.239 174 3HG2 VAL 23 3HG2 VAL 23 17.539 -12.250 7.440 175 H MET 24 H MET 24 13.101 -10.164 10.147 176 HA MET 24 HA MET 24 12.462 -7.517 9.222 177 1HB MET 24 2HB MET 24 11.661 -9.245 11.487 178 2HB MET 24 3HB MET 24 11.583 -7.511 11.772 179 1HG MET 24 2HG MET 24 10.425 -8.004 9.246 180 2HG MET 24 3HG MET 24 9.755 -9.179 10.376 181 1HE MET 24 1HE MET 24 10.011 -5.630 9.171 182 2HE MET 24 2HE MET 24 8.441 -6.322 8.765 183 3HE MET 24 3HE MET 24 8.540 -4.931 9.847 184 H LEU 25 H LEU 25 13.658 -5.774 9.508 185 HA LEU 25 HA LEU 25 15.424 -5.603 11.843 186 1HB LEU 25 2HB LEU 25 16.121 -5.619 8.997 187 2HB LEU 25 3HB LEU 25 16.769 -4.242 9.864 188 HG LEU 25 HG LEU 25 17.376 -7.152 10.236 189 1HD1 LEU 25 1HD1 LEU 25 18.661 -4.898 9.095 190 2HD1 LEU 25 2HD1 LEU 25 19.585 -5.390 10.514 191 3HD1 LEU 25 3HD1 LEU 25 19.258 -6.553 9.229 192 1HD2 LEU 25 1HD2 LEU 25 17.909 -4.966 12.244 193 2HD2 LEU 25 2HD2 LEU 25 16.810 -6.330 12.460 194 3HD2 LEU 25 3HD2 LEU 25 18.545 -6.610 12.314 195 H SER 26 H SER 26 15.649 -3.558 12.681 196 HA SER 26 HA SER 26 13.587 -1.675 12.052 197 1HB SER 26 2HB SER 26 15.836 -0.801 13.766 198 2HB SER 26 3HB SER 26 14.098 -0.742 14.066 199 HG SER 26 HG SER 26 14.160 -2.660 14.969 200 HA PRO 27 HA PRO 27 15.394 0.662 8.818 201 1HB PRO 27 2HB PRO 27 14.790 3.224 9.837 202 2HB PRO 27 3HB PRO 27 13.807 2.256 8.737 203 1HG PRO 27 2HG PRO 27 13.626 2.533 11.696 204 2HG PRO 27 3HG PRO 27 12.332 2.345 10.499 205 1HD PRO 27 2HD PRO 27 13.038 0.294 12.019 206 2HD PRO 27 3HD PRO 27 12.700 0.041 10.295 207 H LYS 28 H LYS 28 16.389 1.356 12.120 208 HA LYS 28 HA LYS 28 18.608 3.012 11.333 209 1HB LYS 28 2HB LYS 28 19.335 2.359 13.768 210 2HB LYS 28 3HB LYS 28 18.026 3.499 13.498 211 1HG LYS 28 2HG LYS 28 16.389 1.941 14.079 212 2HG LYS 28 3HG LYS 28 17.496 0.578 13.899 213 1HD LYS 28 2HD LYS 28 18.426 0.890 15.947 214 2HD LYS 28 3HD LYS 28 18.236 2.643 15.882 215 1HE LYS 28 2HE LYS 28 15.641 1.702 15.940 216 2HE LYS 28 3HE LYS 28 16.498 0.619 17.035 217 1HZ LYS 28 HZ1 LYS 28 17.447 2.999 17.798 218 2HZ LYS 28 HZ2 LYS 28 15.877 3.437 17.323 219 3HZ LYS 28 HZ3 LYS 28 16.108 2.242 18.511 220 H ASP 29 H ASP 29 18.125 -0.335 12.339 221 HA ASP 29 HA ASP 29 20.835 -1.172 12.030 222 1HB ASP 29 2HB ASP 29 18.607 -2.290 13.148 223 2HB ASP 29 3HB ASP 29 18.704 -3.185 11.634 224 H ALA 30 H ALA 30 18.101 -0.812 9.967 225 HA ALA 30 HA ALA 30 19.112 -2.367 7.787 226 1HB ALA 30 1HB ALA 30 16.706 -1.970 8.086 227 2HB ALA 30 2HB ALA 30 16.960 -0.259 7.740 228 3HB ALA 30 3HB ALA 30 17.279 -1.468 6.495 229 H TYR 31 H TYR 31 18.951 1.116 8.527 230 HA TYR 31 HA TYR 31 20.245 1.950 6.143 231 1HB TYR 31 HB2 TYR 31 18.943 3.549 7.381 232 2HB TYR 31 HB3 TYR 31 19.917 3.308 8.823 233 HD1 TYR 31 HD1 TYR 31 20.259 4.375 5.271 234 HD2 TYR 31 HD2 TYR 31 21.622 4.843 9.274 235 HE1 TYR 31 HE1 TYR 31 21.713 6.213 4.550 236 HE2 TYR 31 HE2 TYR 31 23.089 6.687 8.561 237 HH TYR 31 HH TYR 31 24.152 7.547 6.563 238 H LYS 32 H LYS 32 21.385 0.760 9.197 239 HA LYS 32 HA LYS 32 24.015 1.699 9.172 240 1HB LYS 32 2HB LYS 32 22.704 0.404 10.990 241 2HB LYS 32 3HB LYS 32 23.287 -1.037 10.169 242 1HG LYS 32 2HG LYS 32 25.158 -0.894 11.320 243 2HG LYS 32 3HG LYS 32 25.514 0.639 10.521 244 1HD LYS 32 2HD LYS 32 23.612 1.223 12.498 245 2HD LYS 32 3HD LYS 32 24.780 0.138 13.257 246 1HE LYS 32 2HE LYS 32 26.140 1.875 13.508 247 2HE LYS 32 3HE LYS 32 26.292 1.953 11.754 248 1HZ LYS 32 HZ1 LYS 32 24.013 3.252 13.105 249 2HZ LYS 32 HZ2 LYS 32 25.516 4.029 13.044 250 3HZ LYS 32 HZ3 LYS 32 24.717 3.617 11.605 251 H LEU 33 H LEU 33 22.740 -1.406 7.982 252 HA LEU 33 HA LEU 33 25.216 -2.131 6.737 253 1HB LEU 33 2HB LEU 33 23.659 -3.847 5.555 254 2HB LEU 33 3HB LEU 33 24.011 -4.016 7.263 255 HG LEU 33 HG LEU 33 21.732 -2.531 7.355 256 1HD1 LEU 33 1HD1 LEU 33 21.790 -3.152 4.725 257 2HD1 LEU 33 2HD1 LEU 33 20.897 -4.530 5.366 258 3HD1 LEU 33 3HD1 LEU 33 20.308 -2.890 5.649 259 1HD2 LEU 33 1HD2 LEU 33 22.466 -4.737 8.470 260 2HD2 LEU 33 2HD2 LEU 33 20.745 -4.434 8.245 261 3HD2 LEU 33 3HD2 LEU 33 21.600 -5.515 7.144 262 H LEU 34 H LEU 34 22.394 -0.376 5.794 263 HA LEU 34 HA LEU 34 22.551 -0.556 3.001 264 1HB LEU 34 2HB LEU 34 21.245 1.164 4.972 265 2HB LEU 34 3HB LEU 34 21.637 1.995 3.480 266 HG LEU 34 HG LEU 34 20.187 -0.619 3.398 267 1HD1 LEU 34 1HD1 LEU 34 18.964 2.096 3.874 268 2HD1 LEU 34 2HD1 LEU 34 18.066 0.645 3.426 269 3HD1 LEU 34 3HD1 LEU 34 18.920 0.712 4.968 270 1HD2 LEU 34 1HD2 LEU 34 20.291 1.815 1.622 271 2HD2 LEU 34 2HD2 LEU 34 21.010 0.236 1.303 272 3HD2 LEU 34 3HD2 LEU 34 19.255 0.415 1.345 273 H GLN 35 H GLN 35 23.769 1.992 5.170 274 HA GLN 35 HA GLN 35 25.100 3.342 3.055 275 1HB GLN 35 2HB GLN 35 25.702 4.956 4.629 276 2HB GLN 35 3HB GLN 35 24.187 4.323 5.252 277 1HG GLN 35 2HG GLN 35 25.229 4.064 7.190 278 2HG GLN 35 3HG GLN 35 26.105 2.729 6.443 279 1HE2 GLN 35 1HE2 GLN 35 27.896 3.127 7.775 280 2HE2 GLN 35 2HE2 GLN 35 28.966 4.459 7.471 281 H GLU 36 H GLU 36 26.045 0.833 5.278 282 HA GLU 36 HA GLU 36 28.859 1.219 4.922 283 1HB GLU 36 2HB GLU 36 27.564 0.116 6.888 284 2HB GLU 36 3HB GLU 36 27.572 -1.319 5.876 285 1HG GLU 36 2HG GLU 36 30.134 -0.862 5.742 286 2HG GLU 36 3HG GLU 36 29.839 0.069 7.211 287 H ASN 37 H ASN 37 26.369 -0.900 3.617 288 HA ASN 37 HA ASN 37 28.331 -1.950 1.686 289 1HB ASN 37 2HB ASN 37 25.897 -3.254 2.913 290 2HB ASN 37 3HB ASN 37 26.775 -3.932 1.552 291 1HD2 ASN 37 1HD2 ASN 37 27.013 -3.007 4.914 292 2HD2 ASN 37 2HD2 ASN 37 28.325 -4.056 5.317 293 HA PRO 38 HA PRO 38 25.484 0.356 -1.025 294 1HB PRO 38 2HB PRO 38 27.651 -0.019 -2.967 295 2HB PRO 38 3HB PRO 38 26.937 1.479 -2.364 296 1HG PRO 38 2HG PRO 38 29.428 0.720 -1.690 297 2HG PRO 38 3HG PRO 38 28.374 1.594 -0.563 298 1HD PRO 38 2HD PRO 38 28.992 -1.338 -0.692 299 2HD PRO 38 3HD PRO 38 28.888 -0.272 0.727 300 H ASP 39 H ASP 39 26.373 -2.764 -0.844 301 HA ASP 39 HA ASP 39 25.393 -3.662 -3.431 302 1HB ASP 39 2HB ASP 39 27.177 -4.755 -1.690 303 2HB ASP 39 3HB ASP 39 25.708 -5.598 -1.213 304 H ILE 40 H ILE 40 24.402 -3.287 -0.113 305 HA ILE 40 HA ILE 40 21.837 -4.575 -0.548 306 HB ILE 40 HB ILE 40 22.655 -3.016 1.898 307 1HG1 ILE 40 2HG1 ILE 40 23.047 -5.985 1.507 308 2HG1 ILE 40 3HG1 ILE 40 24.336 -4.813 1.257 309 1HG2 ILE 40 1HG2 ILE 40 20.257 -4.078 1.212 310 2HG2 ILE 40 2HG2 ILE 40 20.976 -5.415 2.111 311 3HG2 ILE 40 3HG2 ILE 40 20.801 -3.834 2.872 312 1HD1 ILE 40 1HD1 ILE 40 23.089 -4.413 3.816 313 2HD1 ILE 40 2HD1 ILE 40 23.631 -6.081 3.632 314 3HD1 ILE 40 3HD1 ILE 40 24.775 -4.754 3.423 315 H THR 41 H THR 41 20.457 -3.444 -1.730 316 HA THR 41 HA THR 41 20.346 -0.531 -1.484 317 HB THR 41 HB THR 41 18.417 -1.507 -3.340 318 HG1 THR 41 HG1 THR 41 20.941 -2.806 -3.410 319 1HG2 THR 41 1HG2 THR 41 20.159 0.553 -3.181 320 2HG2 THR 41 2HG2 THR 41 20.977 -0.470 -4.363 321 3HG2 THR 41 3HG2 THR 41 19.328 0.079 -4.663 322 H LEU 42 H LEU 42 18.419 0.587 -0.895 323 HA LEU 42 HA LEU 42 16.449 -1.100 0.482 324 1HB LEU 42 2HB LEU 42 17.343 0.661 1.892 325 2HB LEU 42 3HB LEU 42 16.982 1.871 0.674 326 HG LEU 42 HG LEU 42 14.508 1.004 1.032 327 1HD1 LEU 42 1HD1 LEU 42 15.892 -0.456 2.989 328 2HD1 LEU 42 2HD1 LEU 42 14.986 0.791 3.846 329 3HD1 LEU 42 3HD1 LEU 42 14.147 -0.324 2.769 330 1HD2 LEU 42 1HD2 LEU 42 15.681 3.276 1.564 331 2HD2 LEU 42 2HD2 LEU 42 14.106 2.897 2.265 332 3HD2 LEU 42 3HD2 LEU 42 15.574 2.712 3.233 333 H ILE 43 H ILE 43 14.519 -1.385 -0.374 334 HA ILE 43 HA ILE 43 13.719 0.360 -2.611 335 HB ILE 43 HB ILE 43 12.902 -2.505 -2.076 336 1HG1 ILE 43 2HG1 ILE 43 14.508 -1.379 -4.373 337 2HG1 ILE 43 3HG1 ILE 43 15.239 -2.104 -2.945 338 1HG2 ILE 43 1HG2 ILE 43 11.230 -0.828 -3.170 339 2HG2 ILE 43 2HG2 ILE 43 12.263 -1.014 -4.589 340 3HG2 ILE 43 3HG2 ILE 43 11.467 -2.421 -3.886 341 1HD1 ILE 43 1HD1 ILE 43 13.401 -3.993 -3.810 342 2HD1 ILE 43 2HD1 ILE 43 14.130 -3.364 -5.289 343 3HD1 ILE 43 3HD1 ILE 43 15.152 -4.040 -4.019 344 H ASP 44 H ASP 44 12.083 1.665 -2.177 345 HA ASP 44 HA ASP 44 10.355 0.975 0.108 346 1HB ASP 44 2HB ASP 44 11.503 3.030 0.538 347 2HB ASP 44 3HB ASP 44 11.111 3.656 -1.060 348 H VAL 45 H VAL 45 8.156 1.240 -0.046 349 HA VAL 45 HA VAL 45 7.091 1.624 -2.769 350 HB VAL 45 HB VAL 45 5.168 0.078 -1.522 351 1HG1 VAL 45 1HG1 VAL 45 5.948 0.035 -3.886 352 2HG1 VAL 45 2HG1 VAL 45 7.328 -0.933 -3.363 353 3HG1 VAL 45 3HG1 VAL 45 5.690 -1.564 -3.185 354 1HG2 VAL 45 1HG2 VAL 45 7.755 -0.552 -0.363 355 2HG2 VAL 45 2HG2 VAL 45 6.144 -1.087 0.111 356 3HG2 VAL 45 3HG2 VAL 45 7.019 -1.941 -1.159 357 H ARG 46 H ARG 46 6.407 3.646 -2.580 358 HA ARG 46 HA ARG 46 4.032 4.151 -1.035 359 1HB ARG 46 2HB ARG 46 6.641 5.523 -0.435 360 2HB ARG 46 3HB ARG 46 5.130 6.396 -0.239 361 1HG ARG 46 2HG ARG 46 5.818 3.811 1.144 362 2HG ARG 46 3HG ARG 46 5.963 5.418 1.857 363 1HD ARG 46 2HD ARG 46 3.372 4.407 0.727 364 2HD ARG 46 3HD ARG 46 3.857 4.067 2.389 365 HE ARG 46 HE ARG 46 3.508 6.799 1.302 366 1HH1 ARG 46 1HH1 ARG 46 3.169 4.462 3.887 367 2HH1 ARG 46 2HH1 ARG 46 2.528 5.612 5.015 368 1HH2 ARG 46 1HH2 ARG 46 2.696 8.309 2.776 369 2HH2 ARG 46 2HH2 ARG 46 2.242 7.796 4.380 370 H ASP 47 H ASP 47 3.771 6.850 -1.426 371 HA ASP 47 HA ASP 47 3.914 7.053 -4.359 372 1HB ASP 47 2HB ASP 47 1.733 7.395 -2.912 373 2HB ASP 47 3HB ASP 47 2.401 9.007 -2.676 374 HA PRO 48 HA PRO 48 7.333 9.821 -3.891 375 1HB PRO 48 2HB PRO 48 7.122 11.003 -6.374 376 2HB PRO 48 3HB PRO 48 7.931 9.466 -6.052 377 1HG PRO 48 2HG PRO 48 5.188 9.982 -7.112 378 2HG PRO 48 3HG PRO 48 6.357 8.734 -7.580 379 1HD PRO 48 2HD PRO 48 4.248 8.197 -6.001 380 2HD PRO 48 3HD PRO 48 5.809 7.378 -5.793 381 H ASP 49 H ASP 49 4.092 10.854 -4.575 382 HA ASP 49 HA ASP 49 4.621 13.661 -4.518 383 1HB ASP 49 2HB ASP 49 2.503 12.308 -5.377 384 2HB ASP 49 3HB ASP 49 1.936 12.626 -3.736 385 H GLU 50 H GLU 50 3.266 11.399 -2.139 386 HA GLU 50 HA GLU 50 3.277 13.339 -0.034 387 1HB GLU 50 2HB GLU 50 3.013 11.132 1.363 388 2HB GLU 50 3HB GLU 50 1.686 11.738 0.384 389 1HG GLU 50 2HG GLU 50 1.594 9.783 -0.626 390 2HG GLU 50 3HG GLU 50 3.199 10.084 -1.295 391 H LEU 51 H LEU 51 5.463 11.050 -1.341 392 HA LEU 51 HA LEU 51 7.333 10.812 0.782 393 1HB LEU 51 2HB LEU 51 7.177 9.921 -1.860 394 2HB LEU 51 3HB LEU 51 8.604 10.939 -1.820 395 HG LEU 51 HG LEU 51 9.297 9.562 0.237 396 1HD1 LEU 51 1HD1 LEU 51 6.783 8.424 -0.261 397 2HD1 LEU 51 2HD1 LEU 51 7.979 7.202 -0.701 398 3HD1 LEU 51 3HD1 LEU 51 7.992 7.908 0.917 399 1HD2 LEU 51 1HD2 LEU 51 10.067 9.458 -2.268 400 2HD2 LEU 51 2HD2 LEU 51 10.577 8.222 -1.117 401 3HD2 LEU 51 3HD2 LEU 51 9.250 7.896 -2.231 402 H LYS 52 H LYS 52 7.086 13.086 -1.918 403 HA LYS 52 HA LYS 52 9.340 14.643 -1.237 404 1HB LYS 52 2HB LYS 52 8.797 15.221 -3.345 405 2HB LYS 52 3HB LYS 52 7.112 14.781 -3.130 406 1HG LYS 52 2HG LYS 52 6.957 17.013 -1.815 407 2HG LYS 52 3HG LYS 52 8.458 17.407 -2.654 408 1HD LYS 52 2HD LYS 52 7.138 18.139 -4.306 409 2HD LYS 52 3HD LYS 52 6.885 16.433 -4.679 410 1HE LYS 52 2HE LYS 52 5.107 17.046 -2.597 411 2HE LYS 52 3HE LYS 52 5.007 18.395 -3.730 412 1HZ LYS 52 HZ1 LYS 52 5.019 15.807 -5.000 413 2HZ LYS 52 HZ2 LYS 52 3.681 16.053 -3.984 414 3HZ LYS 52 HZ3 LYS 52 3.990 17.131 -5.250 415 H ALA 53 H ALA 53 6.026 14.663 -0.148 416 HA ALA 53 HA ALA 53 6.226 17.248 1.111 417 1HB ALA 53 1HB ALA 53 4.133 16.126 0.136 418 2HB ALA 53 2HB ALA 53 4.065 15.259 1.671 419 3HB ALA 53 3HB ALA 53 3.980 17.020 1.650 420 H MET 54 H MET 54 5.996 13.902 2.305 421 HA MET 54 HA MET 54 6.276 14.844 5.031 422 1HB MET 54 2HB MET 54 5.764 12.129 3.833 423 2HB MET 54 3HB MET 54 5.993 12.369 5.560 424 1HG MET 54 2HG MET 54 4.104 14.042 5.441 425 2HG MET 54 3HG MET 54 3.800 13.439 3.814 426 1HE MET 54 1HE MET 54 2.665 11.809 3.157 427 2HE MET 54 2HE MET 54 3.046 10.198 3.758 428 3HE MET 54 3HE MET 54 1.481 10.925 4.116 429 H GLY 55 H GLY 55 8.219 13.045 2.720 430 1HA GLY 55 1HA GLY 55 10.669 13.610 3.250 431 2HA GLY 55 2HA GLY 55 10.313 12.737 4.729 432 H LYS 56 H LYS 56 12.208 12.203 2.509 433 HA LYS 56 HA LYS 56 11.405 9.421 2.084 434 1HB LYS 56 2HB LYS 56 12.012 9.395 -0.189 435 2HB LYS 56 3HB LYS 56 11.092 10.880 -0.009 436 1HG LYS 56 2HG LYS 56 12.774 11.978 -0.933 437 2HG LYS 56 3HG LYS 56 13.776 11.564 0.459 438 1HD LYS 56 2HD LYS 56 14.773 9.787 -0.618 439 2HD LYS 56 3HD LYS 56 13.417 9.559 -1.722 440 1HE LYS 56 2HE LYS 56 14.075 11.374 -3.073 441 2HE LYS 56 3HE LYS 56 15.159 12.006 -1.835 442 1HZ LYS 56 HZ1 LYS 56 16.575 10.051 -2.152 443 2HZ LYS 56 HZ2 LYS 56 15.551 9.500 -3.390 444 3HZ LYS 56 HZ3 LYS 56 16.415 10.944 -3.584 445 HA PRO 57 HA PRO 57 15.275 8.536 3.960 446 1HB PRO 57 2HB PRO 57 15.945 6.273 2.467 447 2HB PRO 57 3HB PRO 57 14.992 6.297 3.953 448 1HG PRO 57 2HG PRO 57 14.087 6.143 1.118 449 2HG PRO 57 3HG PRO 57 13.374 5.415 2.567 450 1HD PRO 57 2HD PRO 57 12.304 7.579 1.372 451 2HD PRO 57 3HD PRO 57 12.241 7.348 3.131 452 H ASP 58 H ASP 58 17.067 9.636 3.611 453 HA ASP 58 HA ASP 58 18.054 9.983 0.883 454 1HB ASP 58 2HB ASP 58 17.889 12.007 2.243 455 2HB ASP 58 3HB ASP 58 18.925 11.287 3.473 456 H VAL 59 H VAL 59 18.994 8.039 0.412 457 HA VAL 59 HA VAL 59 21.477 7.514 1.872 458 HB VAL 59 HB VAL 59 21.255 5.129 1.707 459 1HG1 VAL 59 1HG1 VAL 59 19.408 6.731 3.215 460 2HG1 VAL 59 2HG1 VAL 59 18.732 5.139 2.867 461 3HG1 VAL 59 3HG1 VAL 59 20.291 5.276 3.683 462 1HG2 VAL 59 1HG2 VAL 59 19.534 5.594 -0.372 463 2HG2 VAL 59 2HG2 VAL 59 19.849 4.029 0.378 464 3HG2 VAL 59 3HG2 VAL 59 18.464 4.991 0.896 465 H LYS 60 H LYS 60 23.020 6.275 0.601 466 HA LYS 60 HA LYS 60 23.494 7.470 -1.867 467 1HB LYS 60 2HB LYS 60 25.070 5.262 -1.969 468 2HB LYS 60 3HB LYS 60 25.478 6.738 -1.107 469 1HG LYS 60 2HG LYS 60 25.121 5.806 0.942 470 2HG LYS 60 3HG LYS 60 23.906 4.677 0.340 471 1HD LYS 60 2HD LYS 60 25.533 3.155 0.554 472 2HD LYS 60 3HD LYS 60 26.111 3.817 -0.977 473 1HE LYS 60 2HE LYS 60 26.980 5.091 1.576 474 2HE LYS 60 3HE LYS 60 27.721 3.568 1.088 475 1HZ LYS 60 HZ1 LYS 60 27.596 5.518 -1.028 476 2HZ LYS 60 HZ2 LYS 60 28.532 6.019 0.299 477 3HZ LYS 60 HZ3 LYS 60 28.898 4.570 -0.503 478 H ASN 61 H ASN 61 22.083 4.357 -1.066 479 HA ASN 61 HA ASN 61 21.484 3.950 -3.915 480 1HB ASN 61 2HB ASN 61 21.770 1.482 -3.458 481 2HB ASN 61 3HB ASN 61 23.248 2.431 -3.396 482 1HD2 ASN 61 1HD2 ASN 61 23.174 -0.028 -2.274 483 2HD2 ASN 61 2HD2 ASN 61 23.208 0.085 -0.548 484 H TYR 62 H TYR 62 19.444 4.928 -3.474 485 HA TYR 62 HA TYR 62 17.561 3.079 -2.153 486 1HB TYR 62 HB2 TYR 62 17.585 4.994 -0.772 487 2HB TYR 62 HB3 TYR 62 17.665 6.087 -2.147 488 HD1 TYR 62 HD1 TYR 62 15.339 3.311 -1.212 489 HD2 TYR 62 HD2 TYR 62 15.806 7.412 -2.229 490 HE1 TYR 62 HE1 TYR 62 12.901 3.598 -1.134 491 HE2 TYR 62 HE2 TYR 62 13.368 7.717 -2.149 492 HH TYR 62 HH TYR 62 11.265 5.445 -0.793 493 H LYS 63 H LYS 63 15.932 2.328 -3.420 494 HA LYS 63 HA LYS 63 15.391 3.797 -5.905 495 1HB LYS 63 2HB LYS 63 14.728 1.088 -6.344 496 2HB LYS 63 3HB LYS 63 16.001 2.030 -7.102 497 1HG LYS 63 2HG LYS 63 17.379 1.421 -5.028 498 2HG LYS 63 3HG LYS 63 16.189 0.135 -4.813 499 1HD LYS 63 2HD LYS 63 16.885 0.078 -7.520 500 2HD LYS 63 3HD LYS 63 18.403 0.312 -6.655 501 1HE LYS 63 2HE LYS 63 17.476 -1.610 -5.134 502 2HE LYS 63 3HE LYS 63 16.489 -1.972 -6.549 503 1HZ LYS 63 HZ1 LYS 63 19.378 -1.576 -6.909 504 2HZ LYS 63 HZ2 LYS 63 18.836 -3.043 -6.258 505 3HZ LYS 63 HZ3 LYS 63 18.307 -2.549 -7.791 506 H HIS 64 H HIS 64 13.377 4.470 -6.056 507 HA HIS 64 HA HIS 64 11.323 3.337 -4.317 508 1HB HIS 64 2HB HIS 64 11.825 5.900 -4.852 509 2HB HIS 64 3HB HIS 64 10.760 5.572 -6.215 510 HD1 HIS 64 HD1 HIS 64 9.007 7.211 -5.152 511 HD2 HIS 64 HD2 HIS 64 9.879 3.846 -2.884 512 HE1 HIS 64 HE1 HIS 64 7.218 7.102 -3.383 513 HE2 HIS 64 HE2 HIS 64 7.994 5.254 -1.841 514 H MET 65 H MET 65 10.112 1.714 -5.082 515 HA MET 65 HA MET 65 9.711 1.567 -8.000 516 1HB MET 65 2HB MET 65 10.583 -0.403 -6.034 517 2HB MET 65 3HB MET 65 9.243 -0.974 -7.018 518 1HG MET 65 2HG MET 65 11.021 -1.654 -8.272 519 2HG MET 65 3HG MET 65 10.695 -0.077 -8.991 520 1HE MET 65 1HE MET 65 12.002 1.411 -9.454 521 2HE MET 65 2HE MET 65 13.121 2.196 -8.338 522 3HE MET 65 3HE MET 65 13.729 1.072 -9.553 523 H SER 66 H SER 66 7.741 2.412 -8.320 524 HA SER 66 HA SER 66 5.615 1.859 -6.431 525 1HB SER 66 2HB SER 66 4.741 3.499 -8.596 526 2HB SER 66 3HB SER 66 5.053 3.966 -6.923 527 HG SER 66 HG SER 66 6.333 4.957 -8.788 528 H ARG 67 H ARG 67 4.610 2.509 -9.642 529 HA ARG 67 HA ARG 67 3.192 1.439 -11.047 530 1HB ARG 67 2HB ARG 67 5.370 -0.175 -10.966 531 2HB ARG 67 3HB ARG 67 4.130 -1.291 -10.405 532 1HG ARG 67 2HG ARG 67 4.218 -1.577 -12.728 533 2HG ARG 67 3HG ARG 67 2.786 -0.589 -12.439 534 1HD ARG 67 2HD ARG 67 5.281 0.907 -12.867 535 2HD ARG 67 3HD ARG 67 4.711 -0.013 -14.259 536 HE ARG 67 HE ARG 67 2.665 1.584 -13.003 537 1HH1 ARG 67 1HH1 ARG 67 5.255 1.558 -15.367 538 2HH1 ARG 67 2HH1 ARG 67 4.593 2.877 -16.286 539 1HH2 ARG 67 1HH2 ARG 67 1.808 3.314 -14.196 540 2HH2 ARG 67 2HH2 ARG 67 2.632 3.878 -15.622 541 H GLY 68 H GLY 68 2.386 -1.555 -10.332 542 1HA GLY 68 1HA GLY 68 0.303 -0.732 -8.464 543 2HA GLY 68 2HA GLY 68 0.372 -2.245 -9.364 544 H LYS 69 H LYS 69 2.930 -3.072 -8.809 545 HA LYS 69 HA LYS 69 3.377 -2.933 -5.976 546 1HB LYS 69 2HB LYS 69 1.831 -5.072 -6.948 547 2HB LYS 69 3HB LYS 69 3.426 -5.734 -6.622 548 1HG LYS 69 2HG LYS 69 1.340 -4.935 -4.779 549 2HG LYS 69 3HG LYS 69 2.753 -5.955 -4.514 550 1HD LYS 69 2HD LYS 69 3.758 -4.314 -3.392 551 2HD LYS 69 3HD LYS 69 3.602 -3.235 -4.779 552 1HE LYS 69 2HE LYS 69 1.086 -3.566 -3.385 553 2HE LYS 69 3HE LYS 69 2.351 -2.975 -2.311 554 1HZ LYS 69 HZ1 LYS 69 2.799 -1.209 -3.945 555 2HZ LYS 69 HZ2 LYS 69 1.495 -1.746 -4.879 556 3HZ LYS 69 HZ3 LYS 69 1.225 -1.130 -3.323 557 H LEU 70 H LEU 70 4.872 -1.973 -7.986 558 HA LEU 70 HA LEU 70 7.028 -1.735 -8.566 559 1HB LEU 70 2HB LEU 70 8.387 -2.095 -6.861 560 2HB LEU 70 3HB LEU 70 7.018 -2.837 -6.063 561 HG LEU 70 HG LEU 70 8.237 -4.873 -7.612 562 1HD1 LEU 70 1HD1 LEU 70 10.139 -2.962 -7.222 563 2HD1 LEU 70 2HD1 LEU 70 10.352 -3.978 -5.797 564 3HD1 LEU 70 3HD1 LEU 70 10.461 -4.685 -7.408 565 1HD2 LEU 70 1HD2 LEU 70 7.035 -4.834 -5.318 566 2HD2 LEU 70 2HD2 LEU 70 8.339 -5.992 -5.586 567 3HD2 LEU 70 3HD2 LEU 70 8.643 -4.515 -4.668 568 H GLU 71 H GLU 71 5.549 -4.705 -9.139 569 HA GLU 71 HA GLU 71 7.387 -6.439 -10.010 570 1HB GLU 71 2HB GLU 71 5.245 -6.351 -11.974 571 2HB GLU 71 3HB GLU 71 5.663 -7.604 -10.816 572 1HG GLU 71 2HG GLU 71 3.700 -7.102 -9.881 573 2HG GLU 71 3HG GLU 71 4.559 -5.727 -9.190 574 HA PRO 72 HA PRO 72 7.835 -4.853 -14.497 575 1HB PRO 72 2HB PRO 72 6.690 -2.162 -14.658 576 2HB PRO 72 3HB PRO 72 6.377 -3.575 -15.669 577 1HG PRO 72 2HG PRO 72 4.549 -2.618 -13.940 578 2HG PRO 72 3HG PRO 72 4.698 -4.346 -14.302 579 1HD PRO 72 2HD PRO 72 5.716 -2.813 -11.936 580 2HD PRO 72 3HD PRO 72 4.916 -4.399 -11.990 581 H LEU 73 H LEU 73 8.243 -2.701 -11.834 582 HA LEU 73 HA LEU 73 10.396 -1.253 -13.184 583 1HB LEU 73 2HB LEU 73 8.509 -0.624 -11.130 584 2HB LEU 73 3HB LEU 73 10.123 -0.453 -10.467 585 HG LEU 73 HG LEU 73 9.164 1.651 -11.411 586 1HD1 LEU 73 1HD1 LEU 73 11.744 0.634 -11.606 587 2HD1 LEU 73 2HD1 LEU 73 11.417 1.349 -13.186 588 3HD1 LEU 73 3HD1 LEU 73 11.254 2.325 -11.726 589 1HD2 LEU 73 1HD2 LEU 73 9.421 0.149 -14.009 590 2HD2 LEU 73 2HD2 LEU 73 7.941 0.774 -13.285 591 3HD2 LEU 73 3HD2 LEU 73 9.173 1.889 -13.875 592 H LEU 74 H LEU 74 9.890 -3.889 -11.138 593 HA LEU 74 HA LEU 74 12.103 -3.881 -9.446 594 1HB LEU 74 2HB LEU 74 10.236 -5.421 -9.238 595 2HB LEU 74 3HB LEU 74 10.626 -6.154 -10.778 596 HG LEU 74 HG LEU 74 12.816 -6.902 -9.717 597 1HD1 LEU 74 1HD1 LEU 74 12.409 -5.236 -7.764 598 2HD1 LEU 74 2HD1 LEU 74 11.401 -6.528 -7.112 599 3HD1 LEU 74 3HD1 LEU 74 13.112 -6.818 -7.426 600 1HD2 LEU 74 1HD2 LEU 74 10.512 -8.150 -10.010 601 2HD2 LEU 74 2HD2 LEU 74 11.851 -8.883 -9.130 602 3HD2 LEU 74 3HD2 LEU 74 10.536 -8.111 -8.248 603 H ALA 75 H ALA 75 11.734 -5.473 -12.597 604 HA ALA 75 HA ALA 75 14.396 -6.315 -12.861 605 1HB ALA 75 1HB ALA 75 12.063 -6.659 -14.268 606 2HB ALA 75 2HB ALA 75 13.077 -5.754 -15.393 607 3HB ALA 75 3HB ALA 75 13.648 -7.283 -14.725 608 H LYS 76 H LYS 76 13.039 -3.207 -13.183 609 HA LYS 76 HA LYS 76 14.985 -2.232 -15.081 610 1HB LYS 76 2HB LYS 76 12.832 -0.796 -13.525 611 2HB LYS 76 3HB LYS 76 13.827 -0.063 -14.774 612 1HG LYS 76 2HG LYS 76 12.422 -2.509 -15.581 613 2HG LYS 76 3HG LYS 76 11.385 -1.133 -15.191 614 1HD LYS 76 2HD LYS 76 13.747 -0.913 -17.046 615 2HD LYS 76 3HD LYS 76 12.136 -1.353 -17.612 616 1HE LYS 76 2HE LYS 76 11.260 0.749 -16.664 617 2HE LYS 76 3HE LYS 76 12.896 1.191 -16.177 618 1HZ LYS 76 HZ1 LYS 76 12.399 0.520 -18.993 619 2HZ LYS 76 HZ2 LYS 76 11.891 2.033 -18.420 620 3HZ LYS 76 HZ3 LYS 76 13.527 1.597 -18.321 621 H SER 77 H SER 77 14.799 -2.468 -11.650 622 HA SER 77 HA SER 77 16.661 -0.239 -11.307 623 1HB SER 77 2HB SER 77 16.165 -1.122 -8.787 624 2HB SER 77 3HB SER 77 15.178 0.075 -9.626 625 HG SER 77 HG SER 77 13.692 -1.365 -9.102 626 H GLY 78 H GLY 78 17.811 -2.395 -12.578 627 1HA GLY 78 1HA GLY 78 19.545 -3.918 -12.460 628 2HA GLY 78 2HA GLY 78 20.205 -2.687 -11.399 629 H LEU 79 H LEU 79 17.880 -5.391 -11.253 630 HA LEU 79 HA LEU 79 19.005 -6.003 -8.610 631 1HB LEU 79 2HB LEU 79 16.212 -6.136 -9.661 632 2HB LEU 79 3HB LEU 79 16.699 -7.217 -8.367 633 HG LEU 79 HG LEU 79 17.237 -4.301 -8.090 634 1HD1 LEU 79 1HD1 LEU 79 14.571 -5.631 -7.713 635 2HD1 LEU 79 2HD1 LEU 79 15.012 -4.093 -6.969 636 3HD1 LEU 79 3HD1 LEU 79 14.957 -4.239 -8.725 637 1HD2 LEU 79 1HD2 LEU 79 17.702 -6.491 -6.512 638 2HD2 LEU 79 2HD2 LEU 79 17.657 -4.817 -5.962 639 3HD2 LEU 79 3HD2 LEU 79 16.217 -5.827 -5.831 640 H ASP 80 H ASP 80 19.909 -7.872 -8.298 641 HA ASP 80 HA ASP 80 19.351 -10.087 -10.142 642 1HB ASP 80 2HB ASP 80 21.745 -8.671 -10.103 643 2HB ASP 80 3HB ASP 80 22.085 -10.076 -9.099 644 HA PRO 81 HA PRO 81 18.576 -12.297 -6.456 645 1HB PRO 81 2HB PRO 81 19.196 -14.844 -7.173 646 2HB PRO 81 3HB PRO 81 17.765 -13.988 -7.766 647 1HG PRO 81 2HG PRO 81 20.424 -14.380 -9.089 648 2HG PRO 81 3HG PRO 81 18.796 -14.546 -9.779 649 1HD PRO 81 2HD PRO 81 20.284 -12.339 -10.172 650 2HD PRO 81 3HD PRO 81 18.518 -12.258 -9.995 651 H GLU 82 H GLU 82 21.553 -11.413 -7.030 652 HA GLU 82 HA GLU 82 22.669 -13.110 -4.903 653 1HB GLU 82 2HB GLU 82 24.879 -12.814 -5.846 654 2HB GLU 82 3HB GLU 82 23.809 -13.477 -7.074 655 1HG GLU 82 2HG GLU 82 24.494 -11.861 -8.423 656 2HG GLU 82 3HG GLU 82 23.636 -10.718 -7.391 657 H LYS 83 H LYS 83 21.316 -10.269 -5.411 658 HA LYS 83 HA LYS 83 23.249 -8.710 -3.846 659 1HB LYS 83 2HB LYS 83 20.900 -7.829 -5.530 660 2HB LYS 83 3HB LYS 83 21.898 -6.742 -4.576 661 1HG LYS 83 2HG LYS 83 23.638 -8.269 -6.193 662 2HG LYS 83 3HG LYS 83 22.318 -7.703 -7.219 663 1HD LYS 83 2HD LYS 83 22.889 -5.514 -6.978 664 2HD LYS 83 3HD LYS 83 23.497 -5.743 -5.337 665 1HE LYS 83 2HE LYS 83 24.879 -6.541 -7.896 666 2HE LYS 83 3HE LYS 83 25.317 -5.196 -6.844 667 1HZ LYS 83 HZ1 LYS 83 25.597 -6.967 -5.057 668 2HZ LYS 83 HZ2 LYS 83 25.581 -8.097 -6.327 669 3HZ LYS 83 HZ3 LYS 83 26.776 -6.894 -6.274 670 HA PRO 84 HA PRO 84 20.324 -8.968 -0.456 671 1HB PRO 84 2HB PRO 84 21.892 -7.072 1.015 672 2HB PRO 84 3HB PRO 84 21.833 -8.822 1.227 673 1HG PRO 84 2HG PRO 84 24.034 -7.433 0.321 674 2HG PRO 84 3HG PRO 84 23.731 -9.151 0.013 675 1HD PRO 84 2HD PRO 84 23.256 -6.788 -1.761 676 2HD PRO 84 3HD PRO 84 23.876 -8.406 -2.171 677 H VAL 85 H VAL 85 18.600 -7.742 0.144 678 HA VAL 85 HA VAL 85 18.641 -4.871 -0.418 679 HB VAL 85 HB VAL 85 16.174 -5.391 -1.340 680 1HG1 VAL 85 1HG1 VAL 85 18.800 -5.105 -2.703 681 2HG1 VAL 85 2HG1 VAL 85 17.380 -5.464 -3.684 682 3HG1 VAL 85 3HG1 VAL 85 17.413 -4.014 -2.677 683 1HG2 VAL 85 1HG2 VAL 85 17.762 -7.865 -1.820 684 2HG2 VAL 85 2HG2 VAL 85 16.050 -7.680 -1.438 685 3HG2 VAL 85 3HG2 VAL 85 16.635 -7.316 -3.061 686 H VAL 86 H VAL 86 17.118 -3.676 0.732 687 HA VAL 86 HA VAL 86 15.535 -5.195 2.680 688 HB VAL 86 HB VAL 86 17.218 -4.299 4.048 689 1HG1 VAL 86 1HG1 VAL 86 17.032 -1.820 2.371 690 2HG1 VAL 86 2HG1 VAL 86 17.840 -1.843 3.939 691 3HG1 VAL 86 3HG1 VAL 86 18.418 -2.878 2.631 692 1HG2 VAL 86 1HG2 VAL 86 14.631 -3.422 4.357 693 2HG2 VAL 86 2HG2 VAL 86 15.912 -3.327 5.565 694 3HG2 VAL 86 3HG2 VAL 86 15.579 -1.944 4.523 695 H VAL 87 H VAL 87 13.463 -4.487 2.962 696 HA VAL 87 HA VAL 87 12.582 -2.442 1.042 697 HB VAL 87 HB VAL 87 10.326 -3.548 1.272 698 1HG1 VAL 87 1HG1 VAL 87 12.733 -4.762 0.041 699 2HG1 VAL 87 2HG1 VAL 87 11.259 -5.732 0.064 700 3HG1 VAL 87 3HG1 VAL 87 11.263 -4.146 -0.712 701 1HG2 VAL 87 1HG2 VAL 87 11.309 -4.760 3.455 702 2HG2 VAL 87 2HG2 VAL 87 9.973 -5.412 2.506 703 3HG2 VAL 87 3HG2 VAL 87 11.610 -6.020 2.259 704 H PHE 88 H PHE 88 11.471 -0.690 1.706 705 HA PHE 88 HA PHE 88 11.274 -0.337 4.604 706 1HB PHE 88 2HB PHE 88 12.554 1.235 2.956 707 2HB PHE 88 3HB PHE 88 10.954 1.884 2.606 708 HD1 PHE 88 HD1 PHE 88 12.076 0.643 5.891 709 HD2 PHE 88 HD2 PHE 88 11.260 4.072 3.501 710 HE1 PHE 88 HE1 PHE 88 12.184 2.054 7.885 711 HE2 PHE 88 HE2 PHE 88 11.368 5.484 5.498 712 HZ PHE 88 HZ PHE 88 11.830 4.474 7.693 713 H CYS 89 H CYS 89 9.455 1.001 5.450 714 HA CYS 89 HA CYS 89 7.306 1.510 5.791 715 1HB CYS 89 2HB CYS 89 7.784 2.211 3.180 716 2HB CYS 89 3HB CYS 89 6.338 1.212 3.050 717 H LYS 90 H LYS 90 6.193 0.076 6.923 718 HA LYS 90 HA LYS 90 4.773 -1.994 5.424 719 1HB LYS 90 2HB LYS 90 5.129 -3.653 7.224 720 2HB LYS 90 3HB LYS 90 6.622 -3.209 6.413 721 1HG LYS 90 2HG LYS 90 7.526 -2.753 8.376 722 2HG LYS 90 3HG LYS 90 6.342 -1.470 8.613 723 1HD LYS 90 2HD LYS 90 5.232 -4.105 9.138 724 2HD LYS 90 3HD LYS 90 6.626 -3.750 10.159 725 1HE LYS 90 2HE LYS 90 5.229 -1.402 10.254 726 2HE LYS 90 3HE LYS 90 3.935 -2.593 10.165 727 1HZ LYS 90 HZ1 LYS 90 6.044 -3.228 12.052 728 2HZ LYS 90 HZ2 LYS 90 5.149 -1.834 12.430 729 3HZ LYS 90 HZ3 LYS 90 4.353 -3.319 12.229 730 H THR 91 H THR 91 4.226 0.682 6.838 731 HA THR 91 HA THR 91 2.174 -0.264 8.716 732 HB THR 91 HB THR 91 2.399 2.545 8.878 733 HG1 THR 91 HG1 THR 91 4.761 2.492 9.480 734 1HG2 THR 91 1HG2 THR 91 2.527 0.237 10.549 735 2HG2 THR 91 2HG2 THR 91 3.860 1.311 10.974 736 3HG2 THR 91 3HG2 THR 91 2.202 1.910 11.003 737 H ALA 92 H ALA 92 1.996 -0.051 5.701 738 HA ALA 92 HA ALA 92 -0.688 0.775 5.538 739 1HB ALA 92 1HB ALA 92 1.355 2.770 4.614 740 2HB ALA 92 2HB ALA 92 -0.234 2.681 3.856 741 3HB ALA 92 3HB ALA 92 -0.097 3.033 5.578 742 H ALA 93 H ALA 93 2.103 1.057 3.336 743 HA ALA 93 HA ALA 93 0.737 -0.325 1.232 744 1HB ALA 93 1HB ALA 93 2.851 1.405 1.323 745 2HB ALA 93 2HB ALA 93 3.640 -0.134 0.984 746 3HB ALA 93 3HB ALA 93 2.368 0.457 -0.084 747 H ARG 94 H ARG 94 3.384 -1.088 3.425 748 HA ARG 94 HA ARG 94 4.134 -3.030 4.309 749 1HB ARG 94 2HB ARG 94 1.733 -4.146 2.884 750 2HB ARG 94 3HB ARG 94 2.911 -5.211 3.640 751 1HG ARG 94 2HG ARG 94 2.066 -3.070 5.403 752 2HG ARG 94 3HG ARG 94 0.720 -4.067 4.850 753 1HD ARG 94 2HD ARG 94 1.423 -5.884 5.995 754 2HD ARG 94 3HD ARG 94 3.128 -5.533 5.707 755 HE ARG 94 HE ARG 94 3.033 -3.937 7.521 756 1HH1 ARG 94 1HH1 ARG 94 0.304 -6.110 7.272 757 2HH1 ARG 94 2HH1 ARG 94 -0.186 -5.897 8.929 758 1HH2 ARG 94 1HH2 ARG 94 2.391 -3.659 9.697 759 2HH2 ARG 94 2HH2 ARG 94 1.017 -4.526 10.309 760 H ALA 95 H ALA 95 6.063 -2.823 3.296 761 HA ALA 95 HA ALA 95 6.615 -3.531 0.618 762 1HB ALA 95 1HB ALA 95 7.949 -2.235 2.591 763 2HB ALA 95 2HB ALA 95 8.827 -3.762 2.519 764 3HB ALA 95 3HB ALA 95 8.666 -2.768 1.071 765 H ALA 96 H ALA 96 5.727 -5.507 3.096 766 HA ALA 96 HA ALA 96 7.438 -7.712 2.946 767 1HB ALA 96 1HB ALA 96 5.359 -7.175 4.477 768 2HB ALA 96 2HB ALA 96 4.514 -8.149 3.272 769 3HB ALA 96 3HB ALA 96 5.869 -8.837 4.171 770 H LEU 97 H LEU 97 4.865 -6.619 0.843 771 HA LEU 97 HA LEU 97 4.631 -8.990 -0.710 772 1HB LEU 97 2HB LEU 97 3.700 -6.201 -0.896 773 2HB LEU 97 3HB LEU 97 3.954 -6.988 -2.446 774 HG LEU 97 HG LEU 97 1.644 -7.206 -1.786 775 1HD1 LEU 97 1HD1 LEU 97 2.686 -9.059 -3.007 776 2HD1 LEU 97 2HD1 LEU 97 3.083 -9.833 -1.472 777 3HD1 LEU 97 3HD1 LEU 97 1.397 -9.610 -1.937 778 1HD2 LEU 97 1HD2 LEU 97 2.801 -7.740 0.811 779 2HD2 LEU 97 2HD2 LEU 97 1.153 -7.276 0.382 780 3HD2 LEU 97 3HD2 LEU 97 1.626 -8.975 0.355 781 H ALA 98 H ALA 98 6.749 -6.207 -0.799 782 HA ALA 98 HA ALA 98 7.889 -6.820 -3.353 783 1HB ALA 98 1HB ALA 98 8.662 -4.957 -1.125 784 2HB ALA 98 2HB ALA 98 9.651 -5.159 -2.571 785 3HB ALA 98 3HB ALA 98 7.999 -4.559 -2.709 786 H GLY 99 H GLY 99 8.963 -7.140 0.006 787 1HA GLY 99 1HA GLY 99 11.451 -8.307 -0.706 788 2HA GLY 99 2HA GLY 99 10.789 -8.189 0.915 789 H LYS 100 H LYS 100 8.590 -9.755 0.871 790 HA LYS 100 HA LYS 100 9.780 -12.276 1.126 791 1HB LYS 100 2HB LYS 100 7.887 -12.874 2.199 792 2HB LYS 100 3HB LYS 100 7.546 -11.153 2.126 793 1HG LYS 100 2HG LYS 100 5.840 -11.420 0.683 794 2HG LYS 100 3HG LYS 100 6.636 -12.732 -0.189 795 1HD LYS 100 2HD LYS 100 6.104 -13.732 2.374 796 2HD LYS 100 3HD LYS 100 4.649 -12.859 1.889 797 1HE LYS 100 2HE LYS 100 4.146 -14.820 0.891 798 2HE LYS 100 3HE LYS 100 5.173 -14.180 -0.390 799 1HZ LYS 100 HZ1 LYS 100 6.889 -15.415 1.381 800 2HZ LYS 100 HZ2 LYS 100 5.563 -16.468 1.248 801 3HZ LYS 100 HZ3 LYS 100 6.406 -15.987 -0.144 802 H THR 101 H THR 101 8.028 -10.837 -1.500 803 HA THR 101 HA THR 101 7.639 -13.249 -2.978 804 HB THR 101 HB THR 101 7.677 -10.392 -3.968 805 HG1 THR 101 HG1 THR 101 5.861 -10.229 -2.917 806 1HG2 THR 101 1HG2 THR 101 7.596 -12.705 -5.451 807 2HG2 THR 101 2HG2 THR 101 5.889 -12.303 -5.257 808 3HG2 THR 101 3HG2 THR 101 6.998 -11.127 -5.968 809 H LEU 102 H LEU 102 10.137 -10.765 -2.827 810 HA LEU 102 HA LEU 102 11.596 -11.637 -5.097 811 1HB LEU 102 2HB LEU 102 12.075 -9.811 -2.818 812 2HB LEU 102 3HB LEU 102 13.497 -10.440 -3.630 813 HG LEU 102 HG LEU 102 11.304 -8.739 -4.800 814 1HD1 LEU 102 1HD1 LEU 102 13.824 -8.189 -3.661 815 2HD1 LEU 102 2HD1 LEU 102 13.972 -7.926 -5.398 816 3HD1 LEU 102 3HD1 LEU 102 12.731 -7.075 -4.479 817 1HD2 LEU 102 1HD2 LEU 102 13.421 -10.353 -6.197 818 2HD2 LEU 102 2HD2 LEU 102 11.682 -10.347 -6.485 819 3HD2 LEU 102 3HD2 LEU 102 12.656 -8.947 -6.934 820 H ARG 103 H ARG 103 11.885 -12.379 -1.619 821 HA ARG 103 HA ARG 103 14.204 -14.002 -1.934 822 1HB ARG 103 2HB ARG 103 13.595 -14.906 0.335 823 2HB ARG 103 3HB ARG 103 13.780 -13.161 0.251 824 1HG ARG 103 2HG ARG 103 11.612 -12.770 0.715 825 2HG ARG 103 3HG ARG 103 11.053 -14.199 -0.155 826 1HD ARG 103 2HD ARG 103 12.469 -14.283 2.504 827 2HD ARG 103 3HD ARG 103 10.715 -14.286 2.320 828 HE ARG 103 HE ARG 103 11.138 -16.384 0.926 829 1HH1 ARG 103 1HH1 ARG 103 13.117 -15.431 3.658 830 2HH1 ARG 103 2HH1 ARG 103 13.603 -17.058 4.033 831 1HH2 ARG 103 1HH2 ARG 103 11.756 -18.504 1.416 832 2HH2 ARG 103 2HH2 ARG 103 12.816 -18.817 2.761 833 H GLU 104 H GLU 104 10.825 -14.535 -2.344 834 HA GLU 104 HA GLU 104 10.839 -17.381 -2.392 835 1HB GLU 104 2HB GLU 104 8.900 -15.492 -2.298 836 2HB GLU 104 3HB GLU 104 8.847 -15.917 -4.004 837 1HG GLU 104 2HG GLU 104 7.871 -17.855 -3.599 838 2HG GLU 104 3HG GLU 104 8.966 -18.237 -2.275 839 H TYR 105 H TYR 105 12.246 -15.133 -4.415 840 HA TYR 105 HA TYR 105 11.977 -16.891 -6.757 841 1HB TYR 105 HB2 TYR 105 12.759 -13.975 -6.616 842 2HB TYR 105 HB3 TYR 105 12.787 -14.942 -8.088 843 HD1 TYR 105 HD1 TYR 105 10.223 -16.533 -7.359 844 HD2 TYR 105 HD2 TYR 105 11.143 -12.378 -7.425 845 HE1 TYR 105 HE1 TYR 105 7.844 -16.019 -7.723 846 HE2 TYR 105 HE2 TYR 105 8.764 -11.858 -7.782 847 HH TYR 105 HH TYR 105 6.431 -13.443 -7.102 848 H GLY 106 H GLY 106 14.046 -15.985 -4.274 849 1HA GLY 106 1HA GLY 106 15.963 -17.373 -3.924 850 2HA GLY 106 2HA GLY 106 16.224 -17.392 -5.660 851 H PHE 107 H PHE 107 15.811 -14.758 -3.291 852 HA PHE 107 HA PHE 107 18.111 -13.403 -4.451 853 1HB PHE 107 2HB PHE 107 15.789 -12.611 -2.846 854 2HB PHE 107 3HB PHE 107 17.291 -11.835 -2.351 855 HD1 PHE 107 HD1 PHE 107 15.580 -12.717 -5.550 856 HD2 PHE 107 HD2 PHE 107 17.697 -9.791 -3.299 857 HE1 PHE 107 HE1 PHE 107 15.377 -11.135 -7.423 858 HE2 PHE 107 HE2 PHE 107 17.495 -8.203 -5.167 859 HZ PHE 107 HZ PHE 107 16.334 -8.874 -7.233 860 H LYS 108 H LYS 108 19.428 -12.175 -2.563 861 HA LYS 108 HA LYS 108 20.705 -14.341 -1.130 862 1HB LYS 108 2HB LYS 108 21.522 -11.814 -2.193 863 2HB LYS 108 3HB LYS 108 21.905 -11.848 -0.476 864 1HG LYS 108 2HG LYS 108 22.924 -14.164 -0.987 865 2HG LYS 108 3HG LYS 108 22.900 -13.621 -2.666 866 1HD LYS 108 2HD LYS 108 24.042 -11.478 -1.601 867 2HD LYS 108 3HD LYS 108 24.522 -12.648 -0.369 868 1HE LYS 108 2HE LYS 108 25.418 -14.091 -2.199 869 2HE LYS 108 3HE LYS 108 25.077 -12.785 -3.329 870 1HZ LYS 108 HZ1 LYS 108 26.509 -11.557 -1.385 871 2HZ LYS 108 HZ2 LYS 108 27.244 -13.080 -1.469 872 3HZ LYS 108 HZ3 LYS 108 27.136 -12.116 -2.862 873 H THR 109 H THR 109 20.711 -11.180 0.304 874 HA THR 109 HA THR 109 19.196 -12.265 2.580 875 HB THR 109 HB THR 109 20.958 -9.886 2.932 876 HG1 THR 109 HG1 THR 109 21.901 -12.576 2.688 877 1HG2 THR 109 1HG2 THR 109 19.488 -11.015 4.708 878 2HG2 THR 109 2HG2 THR 109 20.686 -12.310 4.690 879 3HG2 THR 109 3HG2 THR 109 21.164 -10.671 5.137 880 H ILE 110 H ILE 110 17.218 -11.460 2.727 881 HA ILE 110 HA ILE 110 16.763 -8.722 1.765 882 HB ILE 110 HB ILE 110 15.742 -10.670 0.464 883 1HG1 ILE 110 2HG1 ILE 110 13.484 -8.940 1.210 884 2HG1 ILE 110 3HG1 ILE 110 14.968 -8.087 0.797 885 1HG2 ILE 110 1HG2 ILE 110 14.809 -11.512 2.875 886 2HG2 ILE 110 2HG2 ILE 110 13.393 -10.698 2.208 887 3HG2 ILE 110 3HG2 ILE 110 14.163 -12.005 1.309 888 1HD1 ILE 110 1HD1 ILE 110 13.968 -10.246 -0.997 889 2HD1 ILE 110 2HD1 ILE 110 13.222 -8.647 -1.041 890 3HD1 ILE 110 3HD1 ILE 110 14.945 -8.827 -1.376 891 H TYR 111 H TYR 111 16.001 -7.273 3.159 892 HA TYR 111 HA TYR 111 15.097 -8.253 5.786 893 1HB TYR 111 HB2 TYR 111 16.202 -5.496 5.302 894 2HB TYR 111 HB3 TYR 111 16.115 -6.396 6.810 895 HD1 TYR 111 HD1 TYR 111 17.901 -6.167 3.566 896 HD2 TYR 111 HD2 TYR 111 17.914 -7.743 7.524 897 HE1 TYR 111 HE1 TYR 111 20.251 -6.840 3.284 898 HE2 TYR 111 HE2 TYR 111 20.261 -8.422 7.249 899 HH TYR 111 HH TYR 111 22.197 -7.842 5.919 900 H ASN 112 H ASN 112 13.334 -7.301 6.771 901 HA ASN 112 HA ASN 112 11.784 -5.403 5.122 902 1HB ASN 112 2HB ASN 112 10.780 -7.730 5.910 903 2HB ASN 112 3HB ASN 112 10.539 -6.861 7.424 904 1HD2 ASN 112 1HD2 ASN 112 9.152 -7.672 4.564 905 2HD2 ASN 112 2HD2 ASN 112 7.951 -6.426 4.462 906 H SER 113 H SER 113 11.333 -3.438 6.011 907 HA SER 113 HA SER 113 12.837 -2.800 8.396 908 1HB SER 113 2HB SER 113 11.238 -0.970 6.608 909 2HB SER 113 3HB SER 113 12.445 -0.486 7.800 910 HG SER 113 HG SER 113 12.834 -1.887 5.366 911 H GLU 114 H GLU 114 11.915 -3.158 10.282 912 HA GLU 114 HA GLU 114 9.170 -3.292 10.803 913 1HB GLU 114 2HB GLU 114 10.885 -4.269 12.277 914 2HB GLU 114 3HB GLU 114 11.412 -2.656 12.735 915 1HG GLU 114 2HG GLU 114 10.017 -3.643 14.456 916 2HG GLU 114 3HG GLU 114 9.243 -2.223 13.757 917 H GLY 115 H GLY 115 7.678 -1.845 11.361 918 1HA GLY 115 1HA GLY 115 6.845 0.264 12.071 919 2HA GLY 115 2HA GLY 115 8.449 0.945 11.829 920 H GLY 116 H GLY 116 8.852 2.000 9.984 921 1HA GLY 116 1HA GLY 116 8.119 1.480 7.433 922 2HA GLY 116 2HA GLY 116 6.713 2.323 8.070 923 H MET 117 H MET 117 7.140 4.010 6.517 924 HA MET 117 HA MET 117 9.515 5.518 6.435 925 1HB MET 117 2HB MET 117 7.791 5.715 4.712 926 2HB MET 117 3HB MET 117 6.665 6.380 5.886 927 1HG MET 117 2HG MET 117 9.002 7.976 5.942 928 2HG MET 117 3HG MET 117 8.553 7.734 4.255 929 1HE MET 117 1HE MET 117 6.458 8.011 3.303 930 2HE MET 117 2HE MET 117 5.101 8.980 3.875 931 3HE MET 117 3HE MET 117 6.539 9.772 3.229 932 H ASP 118 H ASP 118 6.742 5.581 8.541 933 HA ASP 118 HA ASP 118 7.235 8.004 9.873 934 1HB ASP 118 2HB ASP 118 5.570 7.359 11.360 935 2HB ASP 118 3HB ASP 118 5.160 6.413 9.934 936 H LYS 119 H LYS 119 8.608 4.778 10.249 937 HA LYS 119 HA LYS 119 9.864 5.316 12.755 938 1HB LYS 119 2HB LYS 119 9.582 3.093 10.929 939 2HB LYS 119 3HB LYS 119 11.247 3.244 11.477 940 1HG LYS 119 2HG LYS 119 9.965 1.742 12.903 941 2HG LYS 119 3HG LYS 119 10.509 3.165 13.794 942 1HD LYS 119 2HD LYS 119 7.958 3.702 12.622 943 2HD LYS 119 3HD LYS 119 7.881 2.183 13.523 944 1HE LYS 119 2HE LYS 119 8.576 3.218 15.525 945 2HE LYS 119 3HE LYS 119 9.093 4.676 14.679 946 1HZ LYS 119 HZ1 LYS 119 6.571 4.725 14.013 947 2HZ LYS 119 HZ2 LYS 119 6.404 3.819 15.441 948 3HZ LYS 119 HZ3 LYS 119 7.106 5.365 15.494 949 H TRP 120 H TRP 120 10.752 5.653 9.381 950 HA TRP 120 HA TRP 120 13.533 5.955 9.692 951 1HB TRP 120 HB2 TRP 120 12.079 5.768 7.531 952 2HB TRP 120 HB3 TRP 120 11.975 7.519 7.654 953 HD1 TRP 120 HD1 TRP 120 13.948 8.882 6.775 954 HE1 TRP 120 HE1 TRP 120 16.246 8.354 5.757 955 HE3 TRP 120 HE3 TRP 120 14.068 3.834 7.606 956 HZ2 TRP 120 HZ2 TRP 120 17.875 6.100 5.323 957 HZ3 TRP 120 HZ3 TRP 120 16.038 2.562 6.837 958 HH2 TRP 120 HH2 TRP 120 17.896 3.678 5.720 959 H LEU 121 H LEU 121 10.947 8.423 9.527 960 HA LEU 121 HA LEU 121 12.607 10.607 10.177 961 1HB LEU 121 2HB LEU 121 9.704 10.076 9.989 962 2HB LEU 121 3HB LEU 121 10.165 11.410 11.023 963 HG LEU 121 HG LEU 121 10.502 11.135 8.050 964 1HD1 LEU 121 1HD1 LEU 121 9.224 13.068 9.943 965 2HD1 LEU 121 2HD1 LEU 121 9.659 13.556 8.304 966 3HD1 LEU 121 3HD1 LEU 121 8.527 12.227 8.559 967 1HD2 LEU 121 1HD2 LEU 121 12.169 12.752 9.942 968 2HD2 LEU 121 2HD2 LEU 121 12.660 11.834 8.517 969 3HD2 LEU 121 3HD2 LEU 121 11.802 13.363 8.328 970 H GLU 122 H GLU 122 10.669 8.390 12.132 971 HA GLU 122 HA GLU 122 10.887 9.776 14.578 972 1HB GLU 122 2HB GLU 122 9.454 7.657 13.776 973 2HB GLU 122 3HB GLU 122 10.730 6.816 14.645 974 1HG GLU 122 2HG GLU 122 9.863 7.354 16.612 975 2HG GLU 122 3HG GLU 122 9.713 9.054 16.162 976 H GLU 123 H GLU 123 12.964 7.382 13.038 977 HA GLU 123 HA GLU 123 14.637 7.046 15.345 978 1HB GLU 123 2HB GLU 123 14.167 5.607 13.042 979 2HB GLU 123 3HB GLU 123 15.762 6.286 12.748 980 1HG GLU 123 2HG GLU 123 15.877 4.069 13.754 981 2HG GLU 123 3HG GLU 123 16.595 5.301 14.790 982 H GLY 124 H GLY 124 14.263 9.525 13.209 983 1HA GLY 124 1HA GLY 124 15.478 11.448 12.881 984 2HA GLY 124 2HA GLY 124 16.650 10.844 14.045 985 H LEU 125 H LEU 125 15.726 9.022 11.232 986 HA LEU 125 HA LEU 125 18.472 8.864 10.426 987 1HB LEU 125 2HB LEU 125 15.966 7.718 9.194 988 2HB LEU 125 3HB LEU 125 17.600 7.326 8.691 989 HG LEU 125 HG LEU 125 16.598 6.828 11.490 990 1HD1 LEU 125 1HD1 LEU 125 15.952 5.454 9.043 991 2HD1 LEU 125 2HD1 LEU 125 16.807 4.397 10.166 992 3HD1 LEU 125 3HD1 LEU 125 15.327 5.211 10.675 993 1HD2 LEU 125 1HD2 LEU 125 19.097 6.946 10.910 994 2HD2 LEU 125 2HD2 LEU 125 18.517 5.522 11.778 995 3HD2 LEU 125 3HD2 LEU 125 18.827 5.434 10.043 996 HA PRO 126 HA PRO 126 18.816 11.867 7.243 997 1HB PRO 126 2HB PRO 126 19.726 10.383 5.107 998 2HB PRO 126 3HB PRO 126 20.745 10.939 6.440 999 1HG PRO 126 2HG PRO 126 19.413 8.276 6.057 1000 2HG PRO 126 3HG PRO 126 21.078 8.630 6.573 1001 1HD PRO 126 2HD PRO 126 19.244 7.975 8.370 1002 2HD PRO 126 3HD PRO 126 20.395 9.286 8.716 1003 H SER 127 H SER 127 17.049 12.751 6.370 1004 HA SER 127 HA SER 127 15.603 11.201 4.338 1005 1HB SER 127 2HB SER 127 14.187 13.207 6.076 1006 2HB SER 127 3HB SER 127 13.508 11.870 5.147 1007 HG SER 127 HG SER 127 15.251 11.432 7.335 1008 H LEU 128 H LEU 128 14.898 12.404 2.552 1009 HA LEU 128 HA LEU 128 16.207 15.011 2.296 1010 1HB LEU 128 2HB LEU 128 15.682 12.800 0.478 1011 2HB LEU 128 3HB LEU 128 15.165 14.339 -0.183 1012 HG LEU 128 HG LEU 128 17.939 13.812 0.881 1013 1HD1 LEU 128 1HD1 LEU 128 16.696 13.075 -1.615 1014 2HD1 LEU 128 2HD1 LEU 128 18.055 14.171 -1.868 1015 3HD1 LEU 128 3HD1 LEU 128 18.289 12.663 -0.983 1016 1HD2 LEU 128 1HD2 LEU 128 16.610 16.199 0.368 1017 2HD2 LEU 128 2HD2 LEU 128 18.349 15.973 0.545 1018 3HD2 LEU 128 3HD2 LEU 128 17.613 15.932 -1.057 1019 H ASP 129 H ASP 129 14.900 16.523 3.029 1020 HA ASP 129 HA ASP 129 12.111 16.556 2.084 1021 1HB ASP 129 2HB ASP 129 11.595 16.681 4.274 1022 2HB ASP 129 3HB ASP 129 13.277 16.925 4.723 1023 H ARG 130 H ARG 130 11.321 18.456 1.168 1024 HA ARG 130 HA ARG 130 13.341 20.480 0.533 1025 1HB ARG 130 2HB ARG 130 11.922 19.266 -1.271 1026 2HB ARG 130 3HB ARG 130 10.597 20.274 -0.700 1027 1HG ARG 130 2HG ARG 130 12.759 22.007 -1.111 1028 2HG ARG 130 3HG ARG 130 12.731 20.919 -2.500 1029 1HD ARG 130 2HD ARG 130 10.683 21.647 -3.205 1030 2HD ARG 130 3HD ARG 130 10.152 22.067 -1.576 1031 HE ARG 130 HE ARG 130 12.153 23.851 -2.110 1032 1HH1 ARG 130 1HH1 ARG 130 9.165 22.947 -3.712 1033 2HH1 ARG 130 2HH1 ARG 130 8.891 24.532 -4.382 1034 1HH2 ARG 130 1HH2 ARG 130 11.818 25.930 -3.009 1035 2HH2 ARG 130 2HH2 ARG 130 10.390 26.239 -3.961 1036 H SER 131 H SER 131 13.178 21.274 2.684 1037 HA SER 131 HA SER 131 10.991 21.829 4.133 1038 1HB SER 131 2HB SER 131 13.154 23.850 4.329 1039 2HB SER 131 3HB SER 131 12.405 22.866 5.590 1040 HG SER 131 HG SER 131 13.575 21.062 4.757 1041 H HIS 132 H HIS 132 9.238 22.921 3.725 1042 HA HIS 132 HA HIS 132 9.415 25.455 2.244 1043 1HB HIS 132 2HB HIS 132 6.728 25.102 2.676 1044 2HB HIS 132 3HB HIS 132 7.579 24.635 1.214 1045 HD1 HIS 132 HD1 HIS 132 5.710 23.266 4.083 1046 HD2 HIS 132 HD2 HIS 132 8.104 21.825 1.009 1047 HE1 HIS 132 HE1 HIS 132 5.283 20.793 4.000 1048 HE2 HIS 132 HE2 HIS 132 6.889 19.924 2.268 1049 H HIS 133 H HIS 133 10.322 26.635 3.897 1050 HA HIS 133 HA HIS 133 9.278 26.634 6.541 1051 1HB HIS 133 2HB HIS 133 11.616 27.509 5.293 1052 2HB HIS 133 3HB HIS 133 10.866 28.976 5.909 1053 HD1 HIS 133 HD1 HIS 133 10.206 28.817 8.585 1054 HD2 HIS 133 HD2 HIS 133 13.065 26.162 7.135 1055 HE1 HIS 133 HE1 HIS 133 11.456 27.991 10.604 1056 HE2 HIS 133 HE2 HIS 133 13.292 26.532 9.686 1057 H HIS 134 H HIS 134 8.168 28.120 3.753 1058 HA HIS 134 HA HIS 134 7.331 30.628 4.768 1059 1HB HIS 134 2HB HIS 134 7.503 29.797 2.311 1060 2HB HIS 134 3HB HIS 134 5.875 29.180 2.576 1061 HD1 HIS 134 HD1 HIS 134 7.814 32.411 2.440 1062 HD2 HIS 134 HD2 HIS 134 3.872 31.076 2.476 1063 HE1 HIS 134 HE1 HIS 134 6.407 34.433 1.933 1064 HE2 HIS 134 HE2 HIS 134 4.023 33.640 2.115 1065 H HIS 135 H HIS 135 5.983 27.421 4.902 1066 HA HIS 135 HA HIS 135 3.368 28.300 5.683 1067 1HB HIS 135 2HB HIS 135 3.921 26.100 4.496 1068 2HB HIS 135 3HB HIS 135 4.437 25.511 6.075 1069 HD1 HIS 135 HD1 HIS 135 1.424 26.199 4.042 1070 HD2 HIS 135 HD2 HIS 135 2.327 25.282 7.992 1071 HE1 HIS 135 HE1 HIS 135 -0.759 25.558 5.103 1072 HE2 HIS 135 HE2 HIS 135 -0.217 25.244 7.545 1073 H HIS 136 H HIS 136 3.952 29.668 7.402 1074 HA HIS 136 HA HIS 136 4.749 28.410 9.920 1075 1HB HIS 136 2HB HIS 136 4.575 30.675 10.870 1076 2HB HIS 136 3HB HIS 136 5.612 30.674 9.448 1077 HD1 HIS 136 HD1 HIS 136 4.688 31.875 7.305 1078 HD2 HIS 136 HD2 HIS 136 2.275 32.216 10.673 1079 HE1 HIS 136 HE1 HIS 136 3.030 33.679 6.769 1080 HE2 HIS 136 HE2 HIS 136 1.758 34.039 8.914 1081 H HIS 137 H HIS 137 2.075 29.214 8.040 1082 HA HIS 137 HA HIS 137 0.213 27.787 9.510 1083 1HB HIS 137 2HB HIS 137 0.412 29.892 10.990 1084 2HB HIS 137 3HB HIS 137 -0.367 30.752 9.665 1085 HD1 HIS 137 HD1 HIS 137 -1.056 27.820 11.992 1086 HD2 HIS 137 HD2 HIS 137 -3.087 30.627 9.693 1087 HE1 HIS 137 HE1 HIS 137 -3.489 27.490 12.512 1088 HE2 HIS 137 HE2 HIS 137 -4.700 29.001 10.902 1089 1H ALA 1 H1 ALA 1 23.542 -10.962 -16.931 1090 2H ALA 1 H2 ALA 1 25.126 -10.704 -16.395 1091 3H ALA 1 H3 ALA 1 24.501 -12.279 -16.467 1092 HA ALA 1 HA ALA 1 23.457 -12.125 -14.527 1093 1HB ALA 1 1HB ALA 1 25.481 -9.925 -14.467 1094 2HB ALA 1 2HB ALA 1 24.454 -10.225 -13.064 1095 3HB ALA 1 3HB ALA 1 25.511 -11.499 -13.673 1096 H ASP 2 H ASP 2 21.508 -11.524 -15.868 1097 HA ASP 2 HA ASP 2 20.341 -9.054 -14.805 1098 1HB ASP 2 2HB ASP 2 19.362 -9.632 -17.480 1099 2HB ASP 2 3HB ASP 2 19.997 -8.125 -16.832 1100 H MET 3 H MET 3 19.646 -10.976 -13.395 1101 HA MET 3 HA MET 3 17.746 -12.781 -14.563 1102 1HB MET 3 2HB MET 3 19.043 -12.433 -11.972 1103 2HB MET 3 3HB MET 3 17.375 -12.974 -11.845 1104 1HG MET 3 2HG MET 3 18.947 -14.840 -11.893 1105 2HG MET 3 3HG MET 3 17.842 -14.869 -13.266 1106 1HE MET 3 1HE MET 3 21.117 -13.172 -12.193 1107 2HE MET 3 2HE MET 3 21.661 -14.850 -12.223 1108 3HE MET 3 3HE MET 3 22.285 -13.700 -13.405 1109 H GLY 4 H GLY 4 17.456 -9.643 -13.971 1110 1HA GLY 4 1HA GLY 4 15.071 -9.261 -12.564 1111 2HA GLY 4 2HA GLY 4 15.661 -8.217 -13.851 1112 H GLU 5 H GLU 5 15.659 -10.102 -15.907 1113 HA GLU 5 HA GLU 5 12.987 -10.014 -16.840 1114 1HB GLU 5 2HB GLU 5 15.495 -11.386 -17.745 1115 2HB GLU 5 3HB GLU 5 13.960 -11.727 -18.533 1116 1HG GLU 5 2HG GLU 5 14.126 -8.946 -18.394 1117 2HG GLU 5 3HG GLU 5 15.733 -9.498 -18.866 1118 H LYS 6 H LYS 6 14.877 -12.414 -15.181 1119 HA LYS 6 HA LYS 6 13.207 -14.624 -15.729 1120 1HB LYS 6 2HB LYS 6 15.094 -14.362 -13.388 1121 2HB LYS 6 3HB LYS 6 14.528 -15.845 -14.142 1122 1HG LYS 6 2HG LYS 6 16.260 -13.795 -15.507 1123 2HG LYS 6 3HG LYS 6 16.858 -15.252 -14.715 1124 1HD LYS 6 2HD LYS 6 14.747 -15.941 -16.524 1125 2HD LYS 6 3HD LYS 6 15.955 -14.966 -17.365 1126 1HE LYS 6 2HE LYS 6 17.546 -16.646 -15.965 1127 2HE LYS 6 3HE LYS 6 16.148 -17.682 -16.252 1128 1HZ LYS 6 HZ1 LYS 6 17.174 -16.166 -18.528 1129 2HZ LYS 6 HZ2 LYS 6 18.118 -17.464 -17.976 1130 3HZ LYS 6 HZ3 LYS 6 16.516 -17.729 -18.468 1131 H PHE 7 H PHE 7 13.558 -12.649 -12.740 1132 HA PHE 7 HA PHE 7 11.369 -14.110 -11.597 1133 1HB PHE 7 2HB PHE 7 11.638 -12.444 -9.668 1134 2HB PHE 7 3HB PHE 7 12.913 -13.610 -9.962 1135 HD1 PHE 7 HD1 PHE 7 12.024 -10.115 -10.969 1136 HD2 PHE 7 HD2 PHE 7 15.047 -12.859 -9.777 1137 HE1 PHE 7 HE1 PHE 7 13.660 -8.277 -10.901 1138 HE2 PHE 7 HE2 PHE 7 16.693 -11.031 -9.720 1139 HZ PHE 7 HZ PHE 7 15.998 -8.729 -10.272 1140 H ASP 8 H ASP 8 11.672 -11.140 -13.301 1141 HA ASP 8 HA ASP 8 9.503 -9.667 -12.404 1142 1HB ASP 8 2HB ASP 8 10.701 -8.512 -14.012 1143 2HB ASP 8 3HB ASP 8 10.819 -9.907 -15.079 1144 H ALA 9 H ALA 9 9.487 -12.175 -14.929 1145 HA ALA 9 HA ALA 9 6.790 -12.117 -15.572 1146 1HB ALA 9 1HB ALA 9 8.758 -13.439 -16.616 1147 2HB ALA 9 2HB ALA 9 8.280 -14.704 -15.483 1148 3HB ALA 9 3HB ALA 9 7.129 -14.113 -16.681 1149 H THR 10 H THR 10 8.449 -13.974 -13.055 1150 HA THR 10 HA THR 10 6.168 -15.361 -12.136 1151 HB THR 10 HB THR 10 7.947 -14.960 -9.953 1152 HG1 THR 10 HG1 THR 10 9.548 -14.270 -11.333 1153 1HG2 THR 10 1HG2 THR 10 7.464 -17.241 -11.867 1154 2HG2 THR 10 2HG2 THR 10 8.493 -17.371 -10.441 1155 3HG2 THR 10 3HG2 THR 10 6.776 -17.013 -10.257 1156 H PHE 11 H PHE 11 7.672 -12.298 -11.122 1157 HA PHE 11 HA PHE 11 6.068 -11.778 -8.898 1158 1HB PHE 11 2HB PHE 11 8.138 -10.484 -10.034 1159 2HB PHE 11 3HB PHE 11 6.821 -9.461 -10.597 1160 HD1 PHE 11 HD1 PHE 11 4.998 -9.141 -8.513 1161 HD2 PHE 11 HD2 PHE 11 9.215 -9.625 -8.209 1162 HE1 PHE 11 HE1 PHE 11 4.970 -7.991 -6.340 1163 HE2 PHE 11 HE2 PHE 11 9.192 -8.483 -6.033 1164 HZ PHE 11 HZ PHE 11 7.071 -7.662 -5.098 1165 H LYS 12 H LYS 12 5.621 -10.861 -12.278 1166 HA LYS 12 HA LYS 12 3.135 -9.556 -11.946 1167 1HB LYS 12 2HB LYS 12 4.662 -9.328 -13.915 1168 2HB LYS 12 3HB LYS 12 4.188 -10.944 -14.414 1169 1HG LYS 12 2HG LYS 12 2.952 -9.330 -15.682 1170 2HG LYS 12 3HG LYS 12 1.850 -10.169 -14.590 1171 1HD LYS 12 2HD LYS 12 1.206 -8.210 -13.763 1172 2HD LYS 12 3HD LYS 12 2.856 -7.919 -13.205 1173 1HE LYS 12 2HE LYS 12 2.816 -7.415 -15.983 1174 2HE LYS 12 3HE LYS 12 1.401 -6.619 -15.293 1175 1HZ LYS 12 HZ1 LYS 12 3.103 -5.798 -13.540 1176 2HZ LYS 12 HZ2 LYS 12 4.252 -6.150 -14.743 1177 3HZ LYS 12 HZ3 LYS 12 3.014 -5.026 -15.053 1178 H ALA 13 H ALA 13 4.028 -12.890 -12.158 1179 HA ALA 13 HA ALA 13 1.436 -13.904 -12.878 1180 1HB ALA 13 1HB ALA 13 3.466 -15.164 -13.381 1181 2HB ALA 13 2HB ALA 13 3.812 -15.311 -11.655 1182 3HB ALA 13 3HB ALA 13 2.385 -16.094 -12.341 1183 H GLN 14 H GLN 14 3.314 -13.691 -9.901 1184 HA GLN 14 HA GLN 14 1.297 -14.849 -8.239 1185 1HB GLN 14 2HB GLN 14 3.762 -13.225 -7.596 1186 2HB GLN 14 3HB GLN 14 2.714 -13.913 -6.365 1187 1HG GLN 14 2HG GLN 14 3.998 -15.586 -8.497 1188 2HG GLN 14 3HG GLN 14 4.797 -15.222 -6.971 1189 1HE2 GLN 14 1HE2 GLN 14 4.217 -16.324 -5.167 1190 2HE2 GLN 14 2HE2 GLN 14 3.016 -17.572 -5.131 1191 H VAL 15 H VAL 15 2.437 -11.531 -8.706 1192 HA VAL 15 HA VAL 15 0.692 -10.309 -6.927 1193 HB VAL 15 HB VAL 15 2.710 -9.479 -8.674 1194 1HG1 VAL 15 1HG1 VAL 15 0.629 -8.890 -10.156 1195 2HG1 VAL 15 2HG1 VAL 15 0.514 -7.509 -9.065 1196 3HG1 VAL 15 3HG1 VAL 15 1.982 -7.768 -10.008 1197 1HG2 VAL 15 1HG2 VAL 15 1.290 -8.538 -6.331 1198 2HG2 VAL 15 2HG2 VAL 15 3.001 -8.416 -6.741 1199 3HG2 VAL 15 3HG2 VAL 15 1.861 -7.212 -7.342 1200 H LYS 16 H LYS 16 0.160 -11.265 -10.267 1201 HA LYS 16 HA LYS 16 -2.268 -9.810 -10.621 1202 1HB LYS 16 2HB LYS 16 -0.603 -11.447 -12.211 1203 2HB LYS 16 3HB LYS 16 -2.197 -12.189 -12.227 1204 1HG LYS 16 2HG LYS 16 -2.631 -9.449 -12.589 1205 2HG LYS 16 3HG LYS 16 -1.256 -9.868 -13.614 1206 1HD LYS 16 2HD LYS 16 -3.221 -11.921 -13.844 1207 2HD LYS 16 3HD LYS 16 -4.009 -10.357 -14.073 1208 1HE LYS 16 2HE LYS 16 -2.171 -9.803 -15.707 1209 2HE LYS 16 3HE LYS 16 -1.669 -11.489 -15.593 1210 1HZ LYS 16 HZ1 LYS 16 -3.908 -12.128 -16.332 1211 2HZ LYS 16 HZ2 LYS 16 -4.306 -10.493 -16.527 1212 3HZ LYS 16 HZ3 LYS 16 -3.094 -11.192 -17.489 1213 H ALA 17 H ALA 17 -1.464 -13.062 -9.538 1214 HA ALA 17 HA ALA 17 -4.012 -14.191 -9.548 1215 1HB ALA 17 1HB ALA 17 -1.827 -15.382 -9.207 1216 2HB ALA 17 2HB ALA 17 -1.865 -14.822 -7.536 1217 3HB ALA 17 3HB ALA 17 -3.134 -15.888 -8.136 1218 H ALA 18 H ALA 18 -2.586 -11.918 -7.363 1219 HA ALA 18 HA ALA 18 -4.273 -12.374 -5.137 1220 1HB ALA 18 1HB ALA 18 -2.069 -10.800 -5.649 1221 2HB ALA 18 2HB ALA 18 -3.362 -9.630 -5.384 1222 3HB ALA 18 3HB ALA 18 -2.998 -10.839 -4.150 1223 H LYS 19 H LYS 19 -4.547 -10.201 -7.948 1224 HA LYS 19 HA LYS 19 -7.051 -9.098 -7.029 1225 1HB LYS 19 2HB LYS 19 -7.001 -7.720 -8.906 1226 2HB LYS 19 3HB LYS 19 -5.298 -7.934 -8.538 1227 1HG LYS 19 2HG LYS 19 -5.133 -9.624 -10.299 1228 2HG LYS 19 3HG LYS 19 -6.844 -9.398 -10.669 1229 1HD LYS 19 2HD LYS 19 -6.210 -6.909 -10.984 1230 2HD LYS 19 3HD LYS 19 -4.553 -7.505 -11.090 1231 1HE LYS 19 2HE LYS 19 -5.060 -7.638 -13.291 1232 2HE LYS 19 3HE LYS 19 -5.735 -9.191 -12.805 1233 1HZ LYS 19 HZ1 LYS 19 -7.772 -7.456 -12.367 1234 2HZ LYS 19 HZ2 LYS 19 -7.076 -6.844 -13.785 1235 3HZ LYS 19 HZ3 LYS 19 -7.609 -8.455 -13.723 1236 H ALA 20 H ALA 20 -5.955 -11.814 -8.733 1237 HA ALA 20 HA ALA 20 -8.371 -12.316 -10.225 1238 1HB ALA 20 1HB ALA 20 -5.775 -13.710 -9.881 1239 2HB ALA 20 2HB ALA 20 -7.160 -14.666 -10.405 1240 3HB ALA 20 3HB ALA 20 -6.643 -13.271 -11.351 1241 H ASP 21 H ASP 21 -7.281 -12.959 -7.044 1242 HA ASP 21 HA ASP 21 -8.647 -15.366 -6.548 1243 1HB ASP 21 2HB ASP 21 -6.767 -14.310 -5.188 1244 2HB ASP 21 3HB ASP 21 -8.003 -13.292 -4.459 1245 H MET 22 H MET 22 -9.727 -12.078 -6.564 1246 HA MET 22 HA MET 22 -12.303 -12.930 -5.415 1247 1HB MET 22 2HB MET 22 -12.599 -10.517 -4.811 1248 2HB MET 22 3HB MET 22 -11.294 -11.335 -3.963 1249 1HG MET 22 2HG MET 22 -9.760 -10.373 -5.758 1250 2HG MET 22 3HG MET 22 -11.113 -9.326 -6.180 1251 1HE MET 22 1HE MET 22 -12.489 -8.238 -4.367 1252 2HE MET 22 2HE MET 22 -12.164 -8.833 -2.737 1253 3HE MET 22 3HE MET 22 -11.729 -7.181 -3.179 1254 H VAL 23 H VAL 23 -14.060 -11.153 -6.076 1255 HA VAL 23 HA VAL 23 -14.405 -11.459 -8.911 1256 HB VAL 23 HB VAL 23 -16.110 -9.856 -6.995 1257 1HG1 VAL 23 1HG1 VAL 23 -16.491 -9.375 -9.370 1258 2HG1 VAL 23 2HG1 VAL 23 -16.778 -11.092 -9.664 1259 3HG1 VAL 23 3HG1 VAL 23 -17.878 -10.177 -8.631 1260 1HG2 VAL 23 1HG2 VAL 23 -15.645 -12.620 -6.967 1261 2HG2 VAL 23 2HG2 VAL 23 -16.913 -11.732 -6.120 1262 3HG2 VAL 23 3HG2 VAL 23 -17.223 -12.401 -7.722 1263 H MET 24 H MET 24 -13.440 -10.163 -10.315 1264 HA MET 24 HA MET 24 -12.545 -7.530 -9.523 1265 1HB MET 24 2HB MET 24 -12.157 -9.225 -11.976 1266 2HB MET 24 3HB MET 24 -11.678 -7.533 -11.957 1267 1HG MET 24 2HG MET 24 -10.674 -8.832 -9.620 1268 2HG MET 24 3HG MET 24 -10.225 -9.754 -11.053 1269 1HE MET 24 1HE MET 24 -10.507 -6.088 -9.732 1270 2HE MET 24 2HE MET 24 -9.221 -6.838 -8.785 1271 3HE MET 24 3HE MET 24 -8.840 -5.538 -9.914 1272 H LEU 25 H LEU 25 -13.879 -5.869 -9.601 1273 HA LEU 25 HA LEU 25 -15.869 -5.735 -11.767 1274 1HB LEU 25 2HB LEU 25 -15.964 -5.096 -8.895 1275 2HB LEU 25 3HB LEU 25 -16.650 -3.853 -9.927 1276 HG LEU 25 HG LEU 25 -17.576 -6.675 -9.499 1277 1HD1 LEU 25 1HD1 LEU 25 -18.527 -3.957 -8.983 1278 2HD1 LEU 25 2HD1 LEU 25 -19.740 -5.024 -9.692 1279 3HD1 LEU 25 3HD1 LEU 25 -18.938 -5.477 -8.188 1280 1HD2 LEU 25 1HD2 LEU 25 -18.266 -4.917 -11.851 1281 2HD2 LEU 25 2HD2 LEU 25 -17.417 -6.461 -11.908 1282 3HD2 LEU 25 3HD2 LEU 25 -19.107 -6.403 -11.408 1283 H SER 26 H SER 26 -16.522 -3.128 -11.613 1284 HA SER 26 HA SER 26 -14.023 -1.633 -11.978 1285 1HB SER 26 2HB SER 26 -16.033 -0.455 -13.610 1286 2HB SER 26 3HB SER 26 -14.544 -1.244 -14.134 1287 HG SER 26 HG SER 26 -15.649 -2.943 -14.721 1288 HA PRO 27 HA PRO 27 -15.496 1.063 -8.835 1289 1HB PRO 27 2HB PRO 27 -14.981 3.515 -10.137 1290 2HB PRO 27 3HB PRO 27 -13.896 2.643 -9.051 1291 1HG PRO 27 2HG PRO 27 -13.999 2.647 -12.031 1292 2HG PRO 27 3HG PRO 27 -12.594 2.559 -10.953 1293 1HD PRO 27 2HD PRO 27 -13.442 0.381 -12.199 1294 2HD PRO 27 3HD PRO 27 -12.937 0.286 -10.503 1295 H LYS 28 H LYS 28 -16.694 1.516 -12.103 1296 HA LYS 28 HA LYS 28 -18.839 3.267 -11.378 1297 1HB LYS 28 2HB LYS 28 -19.288 1.736 -13.796 1298 2HB LYS 28 3HB LYS 28 -19.112 3.470 -13.591 1299 1HG LYS 28 2HG LYS 28 -16.650 3.169 -13.603 1300 2HG LYS 28 3HG LYS 28 -16.902 1.456 -13.946 1301 1HD LYS 28 2HD LYS 28 -18.381 2.417 -15.906 1302 2HD LYS 28 3HD LYS 28 -17.344 3.828 -15.688 1303 1HE LYS 28 2HE LYS 28 -15.512 1.826 -15.679 1304 2HE LYS 28 3HE LYS 28 -16.723 1.168 -16.779 1305 1HZ LYS 28 HZ1 LYS 28 -16.579 3.220 -18.079 1306 2HZ LYS 28 HZ2 LYS 28 -15.374 3.810 -17.036 1307 3HZ LYS 28 HZ3 LYS 28 -15.083 2.433 -17.991 1308 H ASP 29 H ASP 29 -18.467 -0.191 -11.998 1309 HA ASP 29 HA ASP 29 -21.224 -0.841 -11.544 1310 1HB ASP 29 2HB ASP 29 -18.837 -2.224 -12.376 1311 2HB ASP 29 3HB ASP 29 -19.610 -3.124 -11.075 1312 H ALA 30 H ALA 30 -18.320 -0.642 -9.681 1313 HA ALA 30 HA ALA 30 -19.240 -1.971 -7.342 1314 1HB ALA 30 1HB ALA 30 -16.835 -1.450 -7.968 1315 2HB ALA 30 2HB ALA 30 -17.148 0.182 -7.376 1316 3HB ALA 30 3HB ALA 30 -17.293 -1.196 -6.284 1317 H TYR 31 H TYR 31 -19.089 1.470 -8.268 1318 HA TYR 31 HA TYR 31 -20.286 2.379 -5.854 1319 1HB TYR 31 HB2 TYR 31 -18.990 3.932 -7.193 1320 2HB TYR 31 HB3 TYR 31 -20.089 3.731 -8.553 1321 HD1 TYR 31 HD1 TYR 31 -20.130 4.734 -4.965 1322 HD2 TYR 31 HD2 TYR 31 -21.788 5.302 -8.842 1323 HE1 TYR 31 HE1 TYR 31 -21.515 6.563 -4.094 1324 HE2 TYR 31 HE2 TYR 31 -23.190 7.132 -7.980 1325 HH TYR 31 HH TYR 31 -23.674 8.417 -6.223 1326 H LYS 32 H LYS 32 -21.543 1.216 -8.883 1327 HA LYS 32 HA LYS 32 -24.144 2.193 -8.790 1328 1HB LYS 32 2HB LYS 32 -23.092 0.934 -10.686 1329 2HB LYS 32 3HB LYS 32 -23.320 -0.545 -9.764 1330 1HG LYS 32 2HG LYS 32 -25.122 -0.499 -11.232 1331 2HG LYS 32 3HG LYS 32 -25.797 0.084 -9.709 1332 1HD LYS 32 2HD LYS 32 -24.825 2.354 -11.025 1333 2HD LYS 32 3HD LYS 32 -25.636 1.398 -12.266 1334 1HE LYS 32 2HE LYS 32 -27.602 1.231 -10.720 1335 2HE LYS 32 3HE LYS 32 -26.790 2.385 -9.664 1336 1HZ LYS 32 HZ1 LYS 32 -26.671 3.728 -11.921 1337 2HZ LYS 32 HZ2 LYS 32 -28.057 2.808 -12.256 1338 3HZ LYS 32 HZ3 LYS 32 -28.021 3.811 -10.896 1339 H LEU 33 H LEU 33 -22.915 -0.905 -7.508 1340 HA LEU 33 HA LEU 33 -25.393 -1.473 -6.181 1341 1HB LEU 33 2HB LEU 33 -23.751 -3.158 -4.945 1342 2HB LEU 33 3HB LEU 33 -24.388 -3.466 -6.548 1343 HG LEU 33 HG LEU 33 -22.057 -2.089 -7.078 1344 1HD1 LEU 33 1HD1 LEU 33 -21.705 -2.591 -4.493 1345 2HD1 LEU 33 2HD1 LEU 33 -21.179 -4.149 -5.132 1346 3HD1 LEU 33 3HD1 LEU 33 -20.377 -2.667 -5.655 1347 1HD2 LEU 33 1HD2 LEU 33 -23.183 -4.341 -7.900 1348 2HD2 LEU 33 2HD2 LEU 33 -21.479 -3.992 -8.189 1349 3HD2 LEU 33 3HD2 LEU 33 -21.952 -5.047 -6.858 1350 H LEU 34 H LEU 34 -22.476 0.198 -5.379 1351 HA LEU 34 HA LEU 34 -22.530 0.072 -2.588 1352 1HB LEU 34 2HB LEU 34 -21.275 1.738 -4.637 1353 2HB LEU 34 3HB LEU 34 -21.560 2.583 -3.129 1354 HG LEU 34 HG LEU 34 -20.130 -0.058 -3.219 1355 1HD1 LEU 34 1HD1 LEU 34 -19.217 2.517 -4.167 1356 2HD1 LEU 34 2HD1 LEU 34 -18.238 1.934 -2.819 1357 3HD1 LEU 34 3HD1 LEU 34 -18.436 0.938 -4.262 1358 1HD2 LEU 34 1HD2 LEU 34 -20.432 2.161 -1.217 1359 2HD2 LEU 34 2HD2 LEU 34 -20.853 0.455 -1.043 1360 3HD2 LEU 34 3HD2 LEU 34 -19.157 0.947 -1.098 1361 H GLN 35 H GLN 35 -23.764 2.671 -4.698 1362 HA GLN 35 HA GLN 35 -24.877 4.071 -2.493 1363 1HB GLN 35 2HB GLN 35 -25.776 5.619 -4.176 1364 2HB GLN 35 3HB GLN 35 -24.072 5.273 -4.430 1365 1HG GLN 35 2HG GLN 35 -24.649 4.943 -6.551 1366 2HG GLN 35 3HG GLN 35 -25.262 3.386 -5.994 1367 1HE2 GLN 35 1HE2 GLN 35 -26.915 3.185 -7.402 1368 2HE2 GLN 35 2HE2 GLN 35 -28.296 4.225 -7.428 1369 H GLU 36 H GLU 36 -26.119 1.548 -4.471 1370 HA GLU 36 HA GLU 36 -28.866 2.271 -3.780 1371 1HB GLU 36 2HB GLU 36 -27.754 1.186 -6.078 1372 2HB GLU 36 3HB GLU 36 -28.574 -0.173 -5.321 1373 1HG GLU 36 2HG GLU 36 -30.556 0.577 -5.958 1374 2HG GLU 36 3HG GLU 36 -30.244 2.164 -5.256 1375 H ASN 37 H ASN 37 -26.372 0.201 -2.751 1376 HA ASN 37 HA ASN 37 -28.305 -1.317 -1.122 1377 1HB ASN 37 2HB ASN 37 -25.910 -2.212 -2.633 1378 2HB ASN 37 3HB ASN 37 -26.149 -2.924 -1.041 1379 1HD2 ASN 37 1HD2 ASN 37 -26.892 -3.136 -4.268 1380 2HD2 ASN 37 2HD2 ASN 37 -28.214 -4.248 -4.164 1381 HA PRO 38 HA PRO 38 -26.041 1.245 1.841 1382 1HB PRO 38 2HB PRO 38 -28.124 0.201 3.659 1383 2HB PRO 38 3HB PRO 38 -27.679 1.870 3.297 1384 1HG PRO 38 2HG PRO 38 -29.949 0.827 2.361 1385 2HG PRO 38 3HG PRO 38 -28.979 1.942 1.381 1386 1HD PRO 38 2HD PRO 38 -29.159 -1.045 1.228 1387 2HD PRO 38 3HD PRO 38 -29.119 0.149 -0.087 1388 H ASP 39 H ASP 39 -26.420 -2.109 1.728 1389 HA ASP 39 HA ASP 39 -24.949 -2.515 4.225 1390 1HB ASP 39 2HB ASP 39 -26.993 -3.983 3.019 1391 2HB ASP 39 3HB ASP 39 -25.541 -4.940 2.739 1392 H ILE 40 H ILE 40 -24.528 -2.372 0.836 1393 HA ILE 40 HA ILE 40 -22.045 -3.871 0.833 1394 HB ILE 40 HB ILE 40 -23.285 -2.162 -1.336 1395 1HG1 ILE 40 2HG1 ILE 40 -23.239 -5.150 -0.858 1396 2HG1 ILE 40 3HG1 ILE 40 -24.652 -4.103 -0.894 1397 1HG2 ILE 40 1HG2 ILE 40 -20.840 -3.916 -1.311 1398 2HG2 ILE 40 2HG2 ILE 40 -21.650 -3.425 -2.797 1399 3HG2 ILE 40 3HG2 ILE 40 -20.954 -2.207 -1.729 1400 1HD1 ILE 40 1HD1 ILE 40 -23.274 -3.850 -3.368 1401 2HD1 ILE 40 2HD1 ILE 40 -23.498 -5.561 -3.007 1402 3HD1 ILE 40 3HD1 ILE 40 -24.891 -4.481 -3.055 1403 H THR 41 H THR 41 -20.453 -2.940 1.929 1404 HA THR 41 HA THR 41 -20.164 -0.035 1.859 1405 HB THR 41 HB THR 41 -18.248 -1.484 3.514 1406 HG1 THR 41 HG1 THR 41 -20.929 -2.220 3.562 1407 1HG2 THR 41 1HG2 THR 41 -20.006 0.853 3.624 1408 2HG2 THR 41 2HG2 THR 41 -19.834 0.016 5.165 1409 3HG2 THR 41 3HG2 THR 41 -18.404 0.612 4.315 1410 H LEU 42 H LEU 42 -18.263 1.009 1.206 1411 HA LEU 42 HA LEU 42 -16.423 -0.654 -0.370 1412 1HB LEU 42 2HB LEU 42 -17.363 1.151 -1.674 1413 2HB LEU 42 3HB LEU 42 -16.968 2.319 -0.431 1414 HG LEU 42 HG LEU 42 -14.506 1.601 -0.912 1415 1HD1 LEU 42 1HD1 LEU 42 -15.995 0.145 -2.914 1416 2HD1 LEU 42 2HD1 LEU 42 -14.812 1.231 -3.642 1417 3HD1 LEU 42 3HD1 LEU 42 -14.294 0.025 -2.464 1418 1HD2 LEU 42 1HD2 LEU 42 -15.827 3.775 -1.491 1419 2HD2 LEU 42 2HD2 LEU 42 -14.272 3.455 -2.261 1420 3HD2 LEU 42 3HD2 LEU 42 -15.772 3.139 -3.136 1421 H ILE 43 H ILE 43 -14.475 -1.039 0.421 1422 HA ILE 43 HA ILE 43 -13.510 0.653 2.628 1423 HB ILE 43 HB ILE 43 -12.950 -2.223 1.936 1424 1HG1 ILE 43 2HG1 ILE 43 -13.232 -1.611 4.722 1425 2HG1 ILE 43 3HG1 ILE 43 -14.549 -0.856 3.827 1426 1HG2 ILE 43 1HG2 ILE 43 -11.124 -0.291 3.214 1427 2HG2 ILE 43 2HG2 ILE 43 -11.330 -1.820 4.064 1428 3HG2 ILE 43 3HG2 ILE 43 -10.772 -1.811 2.392 1429 1HD1 ILE 43 1HD1 ILE 43 -13.820 -3.743 3.483 1430 2HD1 ILE 43 2HD1 ILE 43 -14.949 -3.186 4.715 1431 3HD1 ILE 43 3HD1 ILE 43 -15.307 -2.922 3.010 1432 H ASP 44 H ASP 44 -12.107 2.119 2.013 1433 HA ASP 44 HA ASP 44 -10.504 1.581 -0.378 1434 1HB ASP 44 2HB ASP 44 -11.182 3.650 -0.931 1435 2HB ASP 44 3HB ASP 44 -11.800 3.954 0.684 1436 H VAL 45 H VAL 45 -8.392 1.401 -0.307 1437 HA VAL 45 HA VAL 45 -7.017 1.889 2.244 1438 HB VAL 45 HB VAL 45 -5.815 -0.239 0.633 1439 1HG1 VAL 45 1HG1 VAL 45 -5.627 0.589 3.183 1440 2HG1 VAL 45 2HG1 VAL 45 -6.777 -0.739 3.373 1441 3HG1 VAL 45 3HG1 VAL 45 -5.194 -1.037 2.653 1442 1HG2 VAL 45 1HG2 VAL 45 -8.312 -0.597 0.260 1443 2HG2 VAL 45 2HG2 VAL 45 -7.402 -1.954 0.926 1444 3HG2 VAL 45 3HG2 VAL 45 -8.399 -0.958 1.985 1445 H ARG 46 H ARG 46 -6.038 3.729 1.693 1446 HA ARG 46 HA ARG 46 -3.939 3.703 -0.287 1447 1HB ARG 46 2HB ARG 46 -5.519 4.294 -1.874 1448 2HB ARG 46 3HB ARG 46 -6.557 5.088 -0.704 1449 1HG ARG 46 2HG ARG 46 -5.823 6.894 -1.869 1450 2HG ARG 46 3HG ARG 46 -4.573 6.821 -0.627 1451 1HD ARG 46 2HD ARG 46 -3.607 5.147 -2.590 1452 2HD ARG 46 3HD ARG 46 -4.374 6.444 -3.509 1453 HE ARG 46 HE ARG 46 -2.759 7.502 -1.427 1454 1HH1 ARG 46 1HH1 ARG 46 -2.575 6.096 -4.631 1455 2HH1 ARG 46 2HH1 ARG 46 -1.069 6.869 -5.013 1456 1HH2 ARG 46 1HH2 ARG 46 -0.793 8.531 -1.945 1457 2HH2 ARG 46 2HH2 ARG 46 -0.064 8.244 -3.506 1458 H ASP 47 H ASP 47 -2.581 5.592 -0.120 1459 HA ASP 47 HA ASP 47 -2.108 6.409 2.503 1460 1HB ASP 47 2HB ASP 47 -0.158 6.921 1.526 1461 2HB ASP 47 3HB ASP 47 -0.890 6.741 -0.065 1462 HA PRO 48 HA PRO 48 -4.947 9.652 3.217 1463 1HB PRO 48 2HB PRO 48 -3.575 11.076 5.094 1464 2HB PRO 48 3HB PRO 48 -4.359 9.527 5.416 1465 1HG PRO 48 2HG PRO 48 -1.480 10.111 4.846 1466 2HG PRO 48 3HG PRO 48 -2.185 9.010 6.044 1467 1HD PRO 48 2HD PRO 48 -1.178 8.137 3.699 1468 2HD PRO 48 3HD PRO 48 -2.562 7.354 4.489 1469 H ASP 49 H ASP 49 -1.757 10.467 2.016 1470 HA ASP 49 HA ASP 49 -2.242 13.290 1.923 1471 1HB ASP 49 2HB ASP 49 0.006 11.765 1.634 1472 2HB ASP 49 3HB ASP 49 -0.341 12.241 -0.034 1473 H GLU 50 H GLU 50 -2.476 10.644 -0.457 1474 HA GLU 50 HA GLU 50 -3.101 12.367 -2.598 1475 1HB GLU 50 2HB GLU 50 -2.362 10.191 -3.192 1476 2HB GLU 50 3HB GLU 50 -3.557 9.418 -2.159 1477 1HG GLU 50 2HG GLU 50 -5.247 9.685 -3.673 1478 2HG GLU 50 3HG GLU 50 -4.521 11.118 -4.396 1479 H LEU 51 H LEU 51 -4.957 10.760 -0.120 1480 HA LEU 51 HA LEU 51 -7.562 11.157 -1.049 1481 1HB LEU 51 2HB LEU 51 -6.256 10.495 1.452 1482 2HB LEU 51 3HB LEU 51 -7.629 11.550 1.724 1483 HG LEU 51 HG LEU 51 -8.979 9.887 0.317 1484 1HD1 LEU 51 1HD1 LEU 51 -6.464 8.748 -0.041 1485 2HD1 LEU 51 2HD1 LEU 51 -7.298 7.671 1.079 1486 3HD1 LEU 51 3HD1 LEU 51 -8.021 8.049 -0.484 1487 1HD2 LEU 51 1HD2 LEU 51 -8.863 10.178 2.890 1488 2HD2 LEU 51 2HD2 LEU 51 -9.604 8.725 2.221 1489 3HD2 LEU 51 3HD2 LEU 51 -7.959 8.665 2.851 1490 H LYS 52 H LYS 52 -5.293 13.308 0.508 1491 HA LYS 52 HA LYS 52 -7.192 15.447 0.866 1492 1HB LYS 52 2HB LYS 52 -4.330 14.983 1.439 1493 2HB LYS 52 3HB LYS 52 -4.769 16.649 1.088 1494 1HG LYS 52 2HG LYS 52 -5.667 16.920 3.096 1495 2HG LYS 52 3HG LYS 52 -6.627 15.448 2.941 1496 1HD LYS 52 2HD LYS 52 -5.111 15.318 4.855 1497 2HD LYS 52 3HD LYS 52 -4.699 14.112 3.633 1498 1HE LYS 52 2HE LYS 52 -3.142 16.175 2.839 1499 2HE LYS 52 3HE LYS 52 -3.184 16.457 4.579 1500 1HZ LYS 52 HZ1 LYS 52 -2.727 13.711 3.902 1501 2HZ LYS 52 HZ2 LYS 52 -1.522 14.733 3.290 1502 3HZ LYS 52 HZ3 LYS 52 -1.864 14.721 4.956 1503 H ALA 53 H ALA 53 -4.594 14.643 -1.378 1504 HA ALA 53 HA ALA 53 -4.733 17.143 -2.736 1505 1HB ALA 53 1HB ALA 53 -2.937 14.982 -2.597 1506 2HB ALA 53 2HB ALA 53 -3.369 15.186 -4.296 1507 3HB ALA 53 3HB ALA 53 -2.710 16.544 -3.383 1508 H MET 54 H MET 54 -5.686 13.833 -3.664 1509 HA MET 54 HA MET 54 -6.903 14.913 -6.097 1510 1HB MET 54 2HB MET 54 -6.009 12.215 -5.194 1511 2HB MET 54 3HB MET 54 -7.312 12.293 -6.373 1512 1HG MET 54 2HG MET 54 -5.332 14.060 -7.277 1513 2HG MET 54 3HG MET 54 -4.494 12.602 -6.754 1514 1HE MET 54 1HE MET 54 -5.259 10.401 -7.174 1515 2HE MET 54 2HE MET 54 -6.339 9.842 -8.450 1516 3HE MET 54 3HE MET 54 -4.647 10.180 -8.814 1517 H GLY 55 H GLY 55 -7.745 13.305 -3.103 1518 1HA GLY 55 1HA GLY 55 -9.956 14.018 -2.220 1519 2HA GLY 55 2HA GLY 55 -10.590 13.624 -3.812 1520 H LYS 56 H LYS 56 -11.885 12.446 -1.897 1521 HA LYS 56 HA LYS 56 -11.000 9.654 -2.059 1522 1HB LYS 56 2HB LYS 56 -11.799 9.258 0.249 1523 2HB LYS 56 3HB LYS 56 -10.440 10.370 0.197 1524 1HG LYS 56 2HG LYS 56 -11.608 11.963 1.206 1525 2HG LYS 56 3HG LYS 56 -12.945 11.791 0.069 1526 1HD LYS 56 2HD LYS 56 -14.060 10.280 1.394 1527 2HD LYS 56 3HD LYS 56 -12.587 9.729 2.192 1528 1HE LYS 56 2HE LYS 56 -12.677 12.337 2.958 1529 2HE LYS 56 3HE LYS 56 -14.393 11.941 2.868 1530 1HZ LYS 56 HZ1 LYS 56 -12.539 10.136 4.282 1531 2HZ LYS 56 HZ2 LYS 56 -13.099 11.540 5.052 1532 3HZ LYS 56 HZ3 LYS 56 -14.202 10.363 4.522 1533 HA PRO 57 HA PRO 57 -15.014 8.841 -3.634 1534 1HB PRO 57 2HB PRO 57 -15.683 6.540 -2.217 1535 2HB PRO 57 3HB PRO 57 -14.749 6.594 -3.714 1536 1HG PRO 57 2HG PRO 57 -13.800 6.380 -0.891 1537 2HG PRO 57 3HG PRO 57 -13.156 5.612 -2.354 1538 1HD PRO 57 2HD PRO 57 -11.939 7.722 -1.232 1539 2HD PRO 57 3HD PRO 57 -12.000 7.520 -2.996 1540 H ASP 58 H ASP 58 -16.833 9.853 -3.198 1541 HA ASP 58 HA ASP 58 -17.688 10.147 -0.405 1542 1HB ASP 58 2HB ASP 58 -17.494 12.274 -1.467 1543 2HB ASP 58 3HB ASP 58 -18.339 11.714 -2.906 1544 H VAL 59 H VAL 59 -18.688 8.194 -0.073 1545 HA VAL 59 HA VAL 59 -21.244 7.900 -1.476 1546 HB VAL 59 HB VAL 59 -21.116 5.552 -1.607 1547 1HG1 VAL 59 1HG1 VAL 59 -19.577 6.901 -3.171 1548 2HG1 VAL 59 2HG1 VAL 59 -18.260 6.214 -2.220 1549 3HG1 VAL 59 3HG1 VAL 59 -19.370 5.152 -3.088 1550 1HG2 VAL 59 1HG2 VAL 59 -20.163 5.221 0.662 1551 2HG2 VAL 59 2HG2 VAL 59 -19.471 4.160 -0.567 1552 3HG2 VAL 59 3HG2 VAL 59 -18.567 5.567 -0.005 1553 H LYS 60 H LYS 60 -22.802 6.574 -0.103 1554 HA LYS 60 HA LYS 60 -22.988 7.849 2.414 1555 1HB LYS 60 2HB LYS 60 -24.581 5.386 1.816 1556 2HB LYS 60 3HB LYS 60 -25.072 6.852 2.649 1557 1HG LYS 60 2HG LYS 60 -25.941 7.662 0.788 1558 2HG LYS 60 3HG LYS 60 -24.405 7.484 -0.059 1559 1HD LYS 60 2HD LYS 60 -25.709 6.098 -1.330 1560 2HD LYS 60 3HD LYS 60 -25.143 4.943 -0.120 1561 1HE LYS 60 2HE LYS 60 -27.338 4.480 0.095 1562 2HE LYS 60 3HE LYS 60 -27.341 5.915 1.116 1563 1HZ LYS 60 HZ1 LYS 60 -27.644 6.759 -1.524 1564 2HZ LYS 60 HZ2 LYS 60 -28.729 5.475 -1.285 1565 3HZ LYS 60 HZ3 LYS 60 -28.779 6.830 -0.270 1566 H ASN 61 H ASN 61 -21.776 4.761 1.417 1567 HA ASN 61 HA ASN 61 -21.221 4.076 4.220 1568 1HB ASN 61 2HB ASN 61 -21.570 1.646 3.397 1569 2HB ASN 61 3HB ASN 61 -22.985 2.639 3.701 1570 1HD2 ASN 61 1HD2 ASN 61 -23.777 0.784 2.308 1571 2HD2 ASN 61 2HD2 ASN 61 -23.812 1.057 0.599 1572 H TYR 62 H TYR 62 -19.119 5.021 3.772 1573 HA TYR 62 HA TYR 62 -17.333 3.055 2.519 1574 1HB TYR 62 HB2 TYR 62 -16.995 4.635 0.910 1575 2HB TYR 62 HB3 TYR 62 -17.599 5.940 1.919 1576 HD1 TYR 62 HD1 TYR 62 -14.621 3.736 1.484 1577 HD2 TYR 62 HD2 TYR 62 -16.110 7.505 2.781 1578 HE1 TYR 62 HE1 TYR 62 -12.323 4.512 1.846 1579 HE2 TYR 62 HE2 TYR 62 -13.810 8.295 3.142 1580 HH TYR 62 HH TYR 62 -11.046 6.487 2.047 1581 H LYS 63 H LYS 63 -15.448 2.633 3.636 1582 HA LYS 63 HA LYS 63 -14.855 4.323 5.945 1583 1HB LYS 63 2HB LYS 63 -14.139 1.900 6.940 1584 2HB LYS 63 3HB LYS 63 -15.615 2.759 7.342 1585 1HG LYS 63 2HG LYS 63 -16.799 1.485 5.609 1586 2HG LYS 63 3HG LYS 63 -15.314 0.576 5.293 1587 1HD LYS 63 2HD LYS 63 -15.333 -0.403 7.427 1588 2HD LYS 63 3HD LYS 63 -16.482 0.783 8.044 1589 1HE LYS 63 2HE LYS 63 -17.702 -0.566 5.866 1590 2HE LYS 63 3HE LYS 63 -16.993 -1.783 6.921 1591 1HZ LYS 63 HZ1 LYS 63 -18.673 0.400 8.001 1592 2HZ LYS 63 HZ2 LYS 63 -19.363 -1.036 7.418 1593 3HZ LYS 63 HZ3 LYS 63 -18.275 -1.084 8.719 1594 H HIS 64 H HIS 64 -12.748 4.717 6.239 1595 HA HIS 64 HA HIS 64 -10.855 3.629 4.305 1596 1HB HIS 64 2HB HIS 64 -11.074 6.122 5.037 1597 2HB HIS 64 3HB HIS 64 -10.219 5.615 6.487 1598 HD1 HIS 64 HD1 HIS 64 -8.052 6.836 6.075 1599 HD2 HIS 64 HD2 HIS 64 -9.193 4.433 2.883 1600 HE1 HIS 64 HE1 HIS 64 -6.111 6.865 4.476 1601 HE2 HIS 64 HE2 HIS 64 -6.922 5.585 2.467 1602 H MET 65 H MET 65 -9.698 1.830 4.829 1603 HA MET 65 HA MET 65 -9.276 1.315 7.702 1604 1HB MET 65 2HB MET 65 -10.253 -0.357 5.647 1605 2HB MET 65 3HB MET 65 -8.638 -0.939 6.028 1606 1HG MET 65 2HG MET 65 -9.230 -1.675 8.066 1607 2HG MET 65 3HG MET 65 -10.357 -0.348 8.340 1608 1HE MET 65 1HE MET 65 -12.351 -0.004 7.249 1609 2HE MET 65 2HE MET 65 -13.252 -1.109 6.210 1610 3HE MET 65 3HE MET 65 -13.443 -1.193 7.961 1611 H SER 66 H SER 66 -7.403 2.560 7.937 1612 HA SER 66 HA SER 66 -5.157 1.818 6.194 1613 1HB SER 66 2HB SER 66 -4.602 4.243 7.535 1614 2HB SER 66 3HB SER 66 -4.973 4.013 5.825 1615 HG SER 66 HG SER 66 -6.848 4.428 7.928 1616 H ARG 67 H ARG 67 -4.738 0.015 7.635 1617 HA ARG 67 HA ARG 67 -3.248 0.885 10.026 1618 1HB ARG 67 2HB ARG 67 -5.126 -1.071 9.978 1619 2HB ARG 67 3HB ARG 67 -3.682 -2.013 9.626 1620 1HG ARG 67 2HG ARG 67 -4.259 -1.898 12.038 1621 2HG ARG 67 3HG ARG 67 -2.639 -1.312 11.658 1622 1HD ARG 67 2HD ARG 67 -4.428 0.887 11.489 1623 2HD ARG 67 3HD ARG 67 -4.756 0.039 13.001 1624 HE ARG 67 HE ARG 67 -2.220 1.298 12.219 1625 1HH1 ARG 67 1HH1 ARG 67 -4.229 -0.217 14.675 1626 2HH1 ARG 67 2HH1 ARG 67 -3.115 0.143 15.968 1627 1HH2 ARG 67 1HH2 ARG 67 -0.760 1.731 13.908 1628 2HH2 ARG 67 2HH2 ARG 67 -1.146 1.230 15.532 1629 H GLY 68 H GLY 68 -1.967 -2.039 9.602 1630 1HA GLY 68 1HA GLY 68 0.147 -1.079 7.834 1631 2HA GLY 68 2HA GLY 68 0.117 -2.612 8.704 1632 H LYS 69 H LYS 69 -2.347 -3.521 8.069 1633 HA LYS 69 HA LYS 69 -2.760 -3.349 5.229 1634 1HB LYS 69 2HB LYS 69 -1.538 -5.720 6.434 1635 2HB LYS 69 3HB LYS 69 -3.011 -6.080 5.543 1636 1HG LYS 69 2HG LYS 69 -0.689 -4.532 4.416 1637 2HG LYS 69 3HG LYS 69 -0.931 -6.266 4.199 1638 1HD LYS 69 2HD LYS 69 -1.924 -5.521 2.286 1639 2HD LYS 69 3HD LYS 69 -3.316 -5.441 3.366 1640 1HE LYS 69 2HE LYS 69 -3.308 -3.387 2.232 1641 2HE LYS 69 3HE LYS 69 -2.627 -3.032 3.817 1642 1HZ LYS 69 HZ1 LYS 69 -0.473 -3.680 2.256 1643 2HZ LYS 69 HZ2 LYS 69 -1.451 -2.749 1.237 1644 3HZ LYS 69 HZ3 LYS 69 -0.940 -2.121 2.729 1645 H LEU 70 H LEU 70 -4.152 -2.321 7.253 1646 HA LEU 70 HA LEU 70 -6.168 -2.041 8.188 1647 1HB LEU 70 2HB LEU 70 -8.066 -2.510 6.867 1648 2HB LEU 70 3HB LEU 70 -6.749 -2.092 5.794 1649 HG LEU 70 HG LEU 70 -6.971 -4.970 6.171 1650 1HD1 LEU 70 1HD1 LEU 70 -9.422 -3.610 6.071 1651 2HD1 LEU 70 2HD1 LEU 70 -9.149 -4.247 4.450 1652 3HD1 LEU 70 3HD1 LEU 70 -9.136 -5.335 5.837 1653 1HD2 LEU 70 1HD2 LEU 70 -5.708 -3.653 4.408 1654 2HD2 LEU 70 2HD2 LEU 70 -6.698 -4.992 3.826 1655 3HD2 LEU 70 3HD2 LEU 70 -7.278 -3.334 3.666 1656 H GLU 71 H GLU 71 -4.778 -4.916 8.458 1657 HA GLU 71 HA GLU 71 -6.530 -6.839 9.111 1658 1HB GLU 71 2HB GLU 71 -4.307 -6.643 11.050 1659 2HB GLU 71 3HB GLU 71 -4.805 -7.985 10.031 1660 1HG GLU 71 2HG GLU 71 -2.885 -7.519 8.969 1661 2HG GLU 71 3HG GLU 71 -3.881 -6.322 8.146 1662 HA PRO 72 HA PRO 72 -7.257 -5.746 13.671 1663 1HB PRO 72 2HB PRO 72 -6.155 -3.559 14.822 1664 2HB PRO 72 3HB PRO 72 -5.346 -5.126 14.749 1665 1HG PRO 72 2HG PRO 72 -4.942 -2.701 13.070 1666 2HG PRO 72 3HG PRO 72 -3.746 -3.850 13.690 1667 1HD PRO 72 2HD PRO 72 -4.695 -3.860 11.120 1668 2HD PRO 72 3HD PRO 72 -4.053 -5.293 11.943 1669 H LEU 73 H LEU 73 -7.337 -3.230 11.321 1670 HA LEU 73 HA LEU 73 -9.248 -1.602 12.762 1671 1HB LEU 73 2HB LEU 73 -7.480 -1.204 10.614 1672 2HB LEU 73 3HB LEU 73 -9.083 -1.051 9.918 1673 HG LEU 73 HG LEU 73 -7.738 1.010 10.975 1674 1HD1 LEU 73 1HD1 LEU 73 -9.956 0.919 9.756 1675 2HD1 LEU 73 2HD1 LEU 73 -10.709 0.794 11.348 1676 3HD1 LEU 73 3HD1 LEU 73 -9.749 2.216 10.934 1677 1HD2 LEU 73 1HD2 LEU 73 -8.301 -0.455 13.249 1678 2HD2 LEU 73 2HD2 LEU 73 -7.846 1.248 13.184 1679 3HD2 LEU 73 3HD2 LEU 73 -9.549 0.792 13.228 1680 H LEU 74 H LEU 74 -9.301 -4.352 10.817 1681 HA LEU 74 HA LEU 74 -11.661 -4.126 9.358 1682 1HB LEU 74 2HB LEU 74 -9.765 -5.969 9.537 1683 2HB LEU 74 3HB LEU 74 -10.905 -6.716 10.637 1684 HG LEU 74 HG LEU 74 -12.602 -6.666 8.794 1685 1HD1 LEU 74 1HD1 LEU 74 -10.213 -5.883 7.134 1686 2HD1 LEU 74 2HD1 LEU 74 -11.791 -6.362 6.509 1687 3HD1 LEU 74 3HD1 LEU 74 -11.629 -4.883 7.455 1688 1HD2 LEU 74 1HD2 LEU 74 -10.325 -8.351 9.152 1689 2HD2 LEU 74 2HD2 LEU 74 -11.950 -8.774 8.611 1690 3HD2 LEU 74 3HD2 LEU 74 -10.731 -8.275 7.437 1691 H ALA 75 H ALA 75 -11.164 -5.598 12.558 1692 HA ALA 75 HA ALA 75 -13.893 -6.135 13.039 1693 1HB ALA 75 1HB ALA 75 -11.974 -7.270 14.151 1694 2HB ALA 75 2HB ALA 75 -11.731 -5.811 15.111 1695 3HB ALA 75 3HB ALA 75 -13.232 -6.724 15.260 1696 H LYS 76 H LYS 76 -11.970 -3.303 13.486 1697 HA LYS 76 HA LYS 76 -13.606 -2.111 15.493 1698 1HB LYS 76 2HB LYS 76 -11.585 -0.814 13.663 1699 2HB LYS 76 3HB LYS 76 -12.256 -0.108 15.126 1700 1HG LYS 76 2HG LYS 76 -11.076 -2.703 15.629 1701 2HG LYS 76 3HG LYS 76 -9.922 -1.573 14.913 1702 1HD LYS 76 2HD LYS 76 -9.646 -1.009 17.106 1703 2HD LYS 76 3HD LYS 76 -11.000 0.057 16.725 1704 1HE LYS 76 2HE LYS 76 -12.075 -2.461 17.445 1705 2HE LYS 76 3HE LYS 76 -10.858 -2.043 18.650 1706 1HZ LYS 76 HZ1 LYS 76 -12.763 0.036 17.856 1707 2HZ LYS 76 HZ2 LYS 76 -13.336 -1.217 18.845 1708 3HZ LYS 76 HZ3 LYS 76 -12.042 -0.257 19.363 1709 H SER 77 H SER 77 -13.659 -2.149 12.025 1710 HA SER 77 HA SER 77 -15.489 0.129 12.003 1711 1HB SER 77 2HB SER 77 -14.288 -1.114 9.546 1712 2HB SER 77 3HB SER 77 -14.819 0.548 9.803 1713 HG SER 77 HG SER 77 -12.482 -0.736 10.752 1714 H GLY 78 H GLY 78 -16.653 -2.180 12.930 1715 1HA GLY 78 1HA GLY 78 -18.441 -3.604 12.598 1716 2HA GLY 78 2HA GLY 78 -19.044 -2.193 11.754 1717 H LEU 79 H LEU 79 -17.241 -5.207 11.296 1718 HA LEU 79 HA LEU 79 -18.446 -5.367 8.626 1719 1HB LEU 79 2HB LEU 79 -15.628 -6.074 9.417 1720 2HB LEU 79 3HB LEU 79 -16.375 -6.639 7.931 1721 HG LEU 79 HG LEU 79 -16.181 -3.719 8.605 1722 1HD1 LEU 79 1HD1 LEU 79 -14.113 -5.559 7.554 1723 2HD1 LEU 79 2HD1 LEU 79 -14.263 -3.976 6.789 1724 3HD1 LEU 79 3HD1 LEU 79 -13.946 -4.094 8.520 1725 1HD2 LEU 79 1HD2 LEU 79 -17.765 -4.668 6.829 1726 2HD2 LEU 79 2HD2 LEU 79 -16.695 -3.348 6.356 1727 3HD2 LEU 79 3HD2 LEU 79 -16.304 -5.007 5.900 1728 H ASP 80 H ASP 80 -19.395 -7.253 8.120 1729 HA ASP 80 HA ASP 80 -19.041 -9.553 9.910 1730 1HB ASP 80 2HB ASP 80 -21.183 -7.951 10.188 1731 2HB ASP 80 3HB ASP 80 -21.775 -8.973 8.883 1732 HA PRO 81 HA PRO 81 -18.358 -11.644 6.115 1733 1HB PRO 81 2HB PRO 81 -19.431 -14.041 7.488 1734 2HB PRO 81 3HB PRO 81 -17.855 -13.784 6.731 1735 1HG PRO 81 2HG PRO 81 -18.108 -13.826 9.381 1736 2HG PRO 81 3HG PRO 81 -16.994 -12.699 8.585 1737 1HD PRO 81 2HD PRO 81 -19.688 -12.184 9.772 1738 2HD PRO 81 3HD PRO 81 -18.226 -11.174 9.799 1739 H GLU 82 H GLU 82 -21.399 -10.861 6.949 1740 HA GLU 82 HA GLU 82 -22.608 -12.582 4.893 1741 1HB GLU 82 2HB GLU 82 -24.796 -11.810 5.818 1742 2HB GLU 82 3HB GLU 82 -23.832 -12.733 6.962 1743 1HG GLU 82 2HG GLU 82 -24.215 -11.088 8.402 1744 2HG GLU 82 3HG GLU 82 -23.072 -10.136 7.456 1745 H LYS 83 H LYS 83 -21.308 -9.561 5.411 1746 HA LYS 83 HA LYS 83 -23.134 -8.117 3.691 1747 1HB LYS 83 2HB LYS 83 -20.875 -7.430 5.482 1748 2HB LYS 83 3HB LYS 83 -21.167 -6.349 4.127 1749 1HG LYS 83 2HG LYS 83 -22.832 -5.384 5.213 1750 2HG LYS 83 3HG LYS 83 -23.648 -6.938 5.408 1751 1HD LYS 83 2HD LYS 83 -22.256 -7.385 7.396 1752 2HD LYS 83 3HD LYS 83 -21.516 -5.793 7.212 1753 1HE LYS 83 2HE LYS 83 -23.455 -6.065 8.881 1754 2HE LYS 83 3HE LYS 83 -23.469 -4.680 7.793 1755 1HZ LYS 83 HZ1 LYS 83 -24.811 -7.096 6.858 1756 2HZ LYS 83 HZ2 LYS 83 -25.555 -6.260 8.132 1757 3HZ LYS 83 HZ3 LYS 83 -25.245 -5.463 6.666 1758 HA PRO 84 HA PRO 84 -20.487 -8.604 0.082 1759 1HB PRO 84 2HB PRO 84 -22.143 -6.797 -1.365 1760 2HB PRO 84 3HB PRO 84 -22.172 -8.559 -1.441 1761 1HG PRO 84 2HG PRO 84 -24.216 -6.968 -0.446 1762 2HG PRO 84 3HG PRO 84 -24.002 -8.693 -0.104 1763 1HD PRO 84 2HD PRO 84 -23.249 -6.319 1.551 1764 2HD PRO 84 3HD PRO 84 -23.909 -7.891 2.059 1765 H VAL 85 H VAL 85 -18.642 -7.477 -0.023 1766 HA VAL 85 HA VAL 85 -18.776 -4.551 0.300 1767 HB VAL 85 HB VAL 85 -16.346 -4.962 1.245 1768 1HG1 VAL 85 1HG1 VAL 85 -18.924 -4.568 2.384 1769 2HG1 VAL 85 2HG1 VAL 85 -17.990 -5.611 3.454 1770 3HG1 VAL 85 3HG1 VAL 85 -17.356 -4.033 2.988 1771 1HG2 VAL 85 1HG2 VAL 85 -16.854 -7.522 0.834 1772 2HG2 VAL 85 2HG2 VAL 85 -15.890 -6.981 2.207 1773 3HG2 VAL 85 3HG2 VAL 85 -17.591 -7.385 2.429 1774 H VAL 86 H VAL 86 -17.180 -3.315 -0.774 1775 HA VAL 86 HA VAL 86 -15.672 -4.767 -2.827 1776 HB VAL 86 HB VAL 86 -17.373 -3.778 -4.098 1777 1HG1 VAL 86 1HG1 VAL 86 -17.055 -1.276 -2.452 1778 2HG1 VAL 86 2HG1 VAL 86 -18.114 -1.442 -3.853 1779 3HG1 VAL 86 3HG1 VAL 86 -18.404 -2.410 -2.408 1780 1HG2 VAL 86 1HG2 VAL 86 -14.771 -2.466 -4.169 1781 2HG2 VAL 86 2HG2 VAL 86 -15.748 -3.126 -5.480 1782 3HG2 VAL 86 3HG2 VAL 86 -16.063 -1.499 -4.879 1783 H VAL 87 H VAL 87 -13.598 -4.086 -3.144 1784 HA VAL 87 HA VAL 87 -12.618 -2.092 -1.219 1785 HB VAL 87 HB VAL 87 -10.391 -3.195 -1.525 1786 1HG1 VAL 87 1HG1 VAL 87 -12.725 -4.220 -0.153 1787 2HG1 VAL 87 2HG1 VAL 87 -11.547 -5.490 -0.492 1788 3HG1 VAL 87 3HG1 VAL 87 -11.062 -4.055 0.414 1789 1HG2 VAL 87 1HG2 VAL 87 -11.365 -4.316 -3.741 1790 2HG2 VAL 87 2HG2 VAL 87 -10.052 -5.035 -2.812 1791 3HG2 VAL 87 3HG2 VAL 87 -11.701 -5.622 -2.605 1792 H PHE 88 H PHE 88 -11.435 -0.389 -1.883 1793 HA PHE 88 HA PHE 88 -11.133 -0.058 -4.797 1794 1HB PHE 88 2HB PHE 88 -12.935 1.304 -3.682 1795 2HB PHE 88 3HB PHE 88 -11.677 2.110 -2.756 1796 HD1 PHE 88 HD1 PHE 88 -11.578 1.146 -6.342 1797 HD2 PHE 88 HD2 PHE 88 -11.866 4.301 -3.506 1798 HE1 PHE 88 HE1 PHE 88 -11.251 2.780 -8.140 1799 HE2 PHE 88 HE2 PHE 88 -11.541 5.944 -5.302 1800 HZ PHE 88 HZ PHE 88 -11.233 5.184 -7.621 1801 H CYS 89 H CYS 89 -9.293 0.903 -5.590 1802 HA CYS 89 HA CYS 89 -7.179 1.701 -5.699 1803 1HB CYS 89 2HB CYS 89 -7.962 2.740 -3.246 1804 2HB CYS 89 3HB CYS 89 -6.479 1.864 -2.879 1805 H LYS 90 H LYS 90 -6.892 -0.490 -6.448 1806 HA LYS 90 HA LYS 90 -5.731 -2.398 -4.590 1807 1HB LYS 90 2HB LYS 90 -5.540 -3.745 -6.826 1808 2HB LYS 90 3HB LYS 90 -7.106 -3.528 -6.057 1809 1HG LYS 90 2HG LYS 90 -7.714 -2.959 -8.150 1810 2HG LYS 90 3HG LYS 90 -7.115 -1.378 -7.646 1811 1HD LYS 90 2HD LYS 90 -4.853 -2.704 -8.556 1812 2HD LYS 90 3HD LYS 90 -6.116 -3.175 -9.695 1813 1HE LYS 90 2HE LYS 90 -6.693 -0.729 -9.887 1814 2HE LYS 90 3HE LYS 90 -5.221 -0.390 -8.978 1815 1HZ LYS 90 HZ1 LYS 90 -4.047 -1.714 -10.762 1816 2HZ LYS 90 HZ2 LYS 90 -5.472 -1.613 -11.666 1817 3HZ LYS 90 HZ3 LYS 90 -4.640 -0.200 -11.229 1818 H THR 91 H THR 91 -4.428 0.203 -5.800 1819 HA THR 91 HA THR 91 -2.087 -1.011 -7.024 1820 HB THR 91 HB THR 91 -2.093 1.901 -6.790 1821 HG1 THR 91 HG1 THR 91 -3.871 2.114 -8.290 1822 1HG2 THR 91 1HG2 THR 91 -2.049 0.003 -9.142 1823 2HG2 THR 91 2HG2 THR 91 -1.709 1.733 -9.208 1824 3HG2 THR 91 3HG2 THR 91 -0.636 0.656 -8.314 1825 H ALA 92 H ALA 92 -1.989 1.986 -5.185 1826 HA ALA 92 HA ALA 92 0.502 1.625 -4.134 1827 1HB ALA 92 1HB ALA 92 -1.791 3.222 -3.021 1828 2HB ALA 92 2HB ALA 92 -0.134 3.341 -2.431 1829 3HB ALA 92 3HB ALA 92 -0.511 3.776 -4.099 1830 H ALA 93 H ALA 93 -2.328 1.487 -1.961 1831 HA ALA 93 HA ALA 93 -0.866 -0.101 -0.069 1832 1HB ALA 93 1HB ALA 93 -3.299 1.412 -0.076 1833 2HB ALA 93 2HB ALA 93 -3.593 -0.195 0.589 1834 3HB ALA 93 3HB ALA 93 -2.345 0.836 1.291 1835 H ARG 94 H ARG 94 -3.042 -0.663 -2.669 1836 HA ARG 94 HA ARG 94 -3.680 -2.513 -3.784 1837 1HB ARG 94 2HB ARG 94 -1.286 -3.269 -3.068 1838 2HB ARG 94 3HB ARG 94 -2.150 -4.315 -1.946 1839 1HG ARG 94 2HG ARG 94 -3.064 -5.591 -3.628 1840 2HG ARG 94 3HG ARG 94 -2.919 -4.305 -4.827 1841 1HD ARG 94 2HD ARG 94 -0.306 -4.833 -4.029 1842 2HD ARG 94 3HD ARG 94 -1.066 -6.418 -4.149 1843 HE ARG 94 HE ARG 94 -0.719 -4.481 -6.328 1844 1HH1 ARG 94 1HH1 ARG 94 -1.683 -7.668 -5.241 1845 2HH1 ARG 94 2HH1 ARG 94 -1.688 -8.355 -6.836 1846 1HH2 ARG 94 1HH2 ARG 94 -0.714 -5.384 -8.442 1847 2HH2 ARG 94 2HH2 ARG 94 -1.150 -7.053 -8.645 1848 H ALA 95 H ALA 95 -5.765 -2.175 -3.085 1849 HA ALA 95 HA ALA 95 -6.910 -3.092 -0.699 1850 1HB ALA 95 1HB ALA 95 -7.980 -2.343 -3.384 1851 2HB ALA 95 2HB ALA 95 -9.049 -3.058 -2.178 1852 3HB ALA 95 3HB ALA 95 -8.203 -1.553 -1.822 1853 H ALA 96 H ALA 96 -5.764 -4.876 -3.336 1854 HA ALA 96 HA ALA 96 -7.540 -7.021 -3.488 1855 1HB ALA 96 1HB ALA 96 -5.098 -6.340 -4.630 1856 2HB ALA 96 2HB ALA 96 -4.795 -7.865 -3.798 1857 3HB ALA 96 3HB ALA 96 -6.082 -7.757 -4.999 1858 H LEU 97 H LEU 97 -5.009 -6.275 -1.181 1859 HA LEU 97 HA LEU 97 -5.012 -8.863 0.054 1860 1HB LEU 97 2HB LEU 97 -3.670 -6.295 0.482 1861 2HB LEU 97 3HB LEU 97 -4.050 -7.142 1.972 1862 HG LEU 97 HG LEU 97 -1.787 -7.657 1.206 1863 1HD1 LEU 97 1HD1 LEU 97 -3.560 -9.394 2.198 1864 2HD1 LEU 97 2HD1 LEU 97 -3.178 -10.210 0.683 1865 3HD1 LEU 97 3HD1 LEU 97 -1.892 -9.828 1.827 1866 1HD2 LEU 97 1HD2 LEU 97 -2.996 -7.755 -1.341 1867 2HD2 LEU 97 2HD2 LEU 97 -1.294 -7.984 -0.934 1868 3HD2 LEU 97 3HD2 LEU 97 -2.381 -9.373 -1.002 1869 H ALA 98 H ALA 98 -6.879 -5.959 0.366 1870 HA ALA 98 HA ALA 98 -7.991 -6.557 2.931 1871 1HB ALA 98 1HB ALA 98 -8.711 -4.630 0.740 1872 2HB ALA 98 2HB ALA 98 -9.722 -4.827 2.172 1873 3HB ALA 98 3HB ALA 98 -8.050 -4.287 2.340 1874 H GLY 99 H GLY 99 -9.049 -6.942 -0.423 1875 1HA GLY 99 1HA GLY 99 -11.570 -8.061 0.390 1876 2HA GLY 99 2HA GLY 99 -11.012 -7.829 -1.257 1877 H LYS 100 H LYS 100 -8.696 -9.373 -1.269 1878 HA LYS 100 HA LYS 100 -9.843 -11.870 -1.790 1879 1HB LYS 100 2HB LYS 100 -7.874 -12.366 -2.796 1880 2HB LYS 100 3HB LYS 100 -7.592 -10.642 -2.593 1881 1HG LYS 100 2HG LYS 100 -5.861 -10.991 -1.244 1882 2HG LYS 100 3HG LYS 100 -6.745 -12.171 -0.275 1883 1HD LYS 100 2HD LYS 100 -6.184 -13.338 -2.808 1884 2HD LYS 100 3HD LYS 100 -4.693 -12.629 -2.184 1885 1HE LYS 100 2HE LYS 100 -4.457 -14.339 -0.791 1886 2HE LYS 100 3HE LYS 100 -5.998 -13.942 -0.038 1887 1HZ LYS 100 HZ1 LYS 100 -6.993 -15.220 -2.022 1888 2HZ LYS 100 HZ2 LYS 100 -5.435 -15.877 -2.188 1889 3HZ LYS 100 HZ3 LYS 100 -6.299 -16.102 -0.745 1890 H THR 101 H THR 101 -8.109 -10.685 1.006 1891 HA THR 101 HA THR 101 -7.851 -13.227 2.274 1892 HB THR 101 HB THR 101 -7.828 -10.565 3.681 1893 HG1 THR 101 HG1 THR 101 -6.187 -10.063 2.450 1894 1HG2 THR 101 1HG2 THR 101 -7.675 -12.689 5.005 1895 2HG2 THR 101 2HG2 THR 101 -6.179 -13.049 4.142 1896 3HG2 THR 101 3HG2 THR 101 -6.282 -11.621 5.173 1897 H LEU 102 H LEU 102 -10.249 -10.651 2.307 1898 HA LEU 102 HA LEU 102 -11.690 -11.545 4.555 1899 1HB LEU 102 2HB LEU 102 -12.165 -9.649 2.335 1900 2HB LEU 102 3HB LEU 102 -13.583 -10.233 3.187 1901 HG LEU 102 HG LEU 102 -11.272 -8.664 4.303 1902 1HD1 LEU 102 1HD1 LEU 102 -13.858 -8.002 3.340 1903 2HD1 LEU 102 2HD1 LEU 102 -13.829 -7.725 5.084 1904 3HD1 LEU 102 3HD1 LEU 102 -12.636 -6.941 4.045 1905 1HD2 LEU 102 1HD2 LEU 102 -13.465 -10.080 5.807 1906 2HD2 LEU 102 2HD2 LEU 102 -11.739 -10.439 5.875 1907 3HD2 LEU 102 3HD2 LEU 102 -12.347 -8.905 6.502 1908 H ARG 103 H ARG 103 -12.120 -12.206 1.079 1909 HA ARG 103 HA ARG 103 -14.492 -13.738 1.402 1910 1HB ARG 103 2HB ARG 103 -13.862 -14.713 -0.862 1911 2HB ARG 103 3HB ARG 103 -14.086 -12.972 -0.794 1912 1HG ARG 103 2HG ARG 103 -11.961 -12.554 -1.340 1913 2HG ARG 103 3HG ARG 103 -11.331 -13.873 -0.356 1914 1HD ARG 103 2HD ARG 103 -12.860 -14.650 -2.744 1915 2HD ARG 103 3HD ARG 103 -11.323 -13.845 -3.040 1916 HE ARG 103 HE ARG 103 -10.189 -15.650 -2.127 1917 1HH1 ARG 103 1HH1 ARG 103 -13.662 -16.104 -1.898 1918 2HH1 ARG 103 2HH1 ARG 103 -13.548 -17.782 -1.464 1919 1HH2 ARG 103 1HH2 ARG 103 -10.037 -17.867 -1.571 1920 2HH2 ARG 103 2HH2 ARG 103 -11.488 -18.778 -1.265 1921 H GLU 104 H GLU 104 -11.151 -14.398 1.822 1922 HA GLU 104 HA GLU 104 -11.287 -17.248 1.796 1923 1HB GLU 104 2HB GLU 104 -9.278 -15.208 2.640 1924 2HB GLU 104 3HB GLU 104 -9.077 -16.870 3.175 1925 1HG GLU 104 2HG GLU 104 -9.542 -17.219 0.527 1926 2HG GLU 104 3HG GLU 104 -8.692 -15.675 0.533 1927 H TYR 105 H TYR 105 -12.527 -15.006 3.944 1928 HA TYR 105 HA TYR 105 -12.261 -16.870 6.207 1929 1HB TYR 105 HB2 TYR 105 -12.879 -13.910 6.222 1930 2HB TYR 105 HB3 TYR 105 -12.893 -14.942 7.653 1931 HD1 TYR 105 HD1 TYR 105 -10.499 -16.660 6.823 1932 HD2 TYR 105 HD2 TYR 105 -11.109 -12.449 6.910 1933 HE1 TYR 105 HE1 TYR 105 -8.077 -16.324 7.079 1934 HE2 TYR 105 HE2 TYR 105 -8.685 -12.104 7.159 1935 HH TYR 105 HH TYR 105 -6.596 -13.318 6.658 1936 H GLY 106 H GLY 106 -14.425 -15.579 3.922 1937 1HA GLY 106 1HA GLY 106 -16.395 -17.022 3.681 1938 2HA GLY 106 2HA GLY 106 -16.629 -16.852 5.411 1939 H PHE 107 H PHE 107 -15.737 -14.134 3.393 1940 HA PHE 107 HA PHE 107 -18.129 -12.740 4.159 1941 1HB PHE 107 2HB PHE 107 -15.626 -12.073 2.756 1942 2HB PHE 107 3HB PHE 107 -17.045 -11.194 2.191 1943 HD1 PHE 107 HD1 PHE 107 -15.464 -12.214 5.409 1944 HD2 PHE 107 HD2 PHE 107 -17.535 -9.207 3.226 1945 HE1 PHE 107 HE1 PHE 107 -15.294 -10.706 7.340 1946 HE2 PHE 107 HE2 PHE 107 -17.364 -7.685 5.152 1947 HZ PHE 107 HZ PHE 107 -16.244 -8.435 7.212 1948 H LYS 108 H LYS 108 -19.699 -11.913 2.661 1949 HA LYS 108 HA LYS 108 -20.714 -13.949 1.027 1950 1HB LYS 108 2HB LYS 108 -21.853 -11.903 2.265 1951 2HB LYS 108 3HB LYS 108 -21.661 -11.138 0.694 1952 1HG LYS 108 2HG LYS 108 -22.860 -13.105 -0.299 1953 2HG LYS 108 3HG LYS 108 -23.224 -13.619 1.351 1954 1HD LYS 108 2HD LYS 108 -23.936 -10.945 1.316 1955 2HD LYS 108 3HD LYS 108 -24.446 -11.537 -0.268 1956 1HE LYS 108 2HE LYS 108 -26.215 -12.503 0.657 1957 2HE LYS 108 3HE LYS 108 -25.157 -13.484 1.668 1958 1HZ LYS 108 HZ1 LYS 108 -25.104 -11.178 2.993 1959 2HZ LYS 108 HZ2 LYS 108 -26.664 -11.091 2.333 1960 3HZ LYS 108 HZ3 LYS 108 -26.226 -12.410 3.309 1961 H THR 109 H THR 109 -20.689 -10.771 -0.379 1962 HA THR 109 HA THR 109 -19.258 -11.861 -2.703 1963 HB THR 109 HB THR 109 -20.825 -9.489 -3.263 1964 HG1 THR 109 HG1 THR 109 -22.839 -10.271 -2.781 1965 1HG2 THR 109 1HG2 THR 109 -19.920 -11.218 -4.871 1966 2HG2 THR 109 2HG2 THR 109 -21.193 -12.297 -4.300 1967 3HG2 THR 109 3HG2 THR 109 -21.613 -10.784 -5.101 1968 H ILE 110 H ILE 110 -17.252 -11.092 -2.737 1969 HA ILE 110 HA ILE 110 -16.821 -8.325 -1.860 1970 HB ILE 110 HB ILE 110 -15.726 -10.237 -0.586 1971 1HG1 ILE 110 2HG1 ILE 110 -13.485 -8.544 -1.420 1972 2HG1 ILE 110 3HG1 ILE 110 -14.954 -7.653 -1.027 1973 1HG2 ILE 110 1HG2 ILE 110 -14.731 -10.868 -3.160 1974 2HG2 ILE 110 2HG2 ILE 110 -13.361 -10.401 -2.149 1975 3HG2 ILE 110 3HG2 ILE 110 -14.439 -11.699 -1.632 1976 1HD1 ILE 110 1HD1 ILE 110 -14.626 -9.584 0.986 1977 2HD1 ILE 110 2HD1 ILE 110 -13.048 -8.848 0.722 1978 3HD1 ILE 110 3HD1 ILE 110 -14.437 -7.833 1.112 1979 H TYR 111 H TYR 111 -16.110 -6.872 -3.271 1980 HA TYR 111 HA TYR 111 -15.302 -7.848 -5.931 1981 1HB TYR 111 HB2 TYR 111 -16.458 -5.122 -5.463 1982 2HB TYR 111 HB3 TYR 111 -16.479 -6.097 -6.925 1983 HD1 TYR 111 HD1 TYR 111 -18.156 -7.842 -7.231 1984 HD2 TYR 111 HD2 TYR 111 -18.122 -5.425 -3.727 1985 HE1 TYR 111 HE1 TYR 111 -20.452 -8.559 -6.717 1986 HE2 TYR 111 HE2 TYR 111 -20.417 -6.137 -3.206 1987 HH TYR 111 HH TYR 111 -22.355 -7.887 -5.483 1988 H ASN 112 H ASN 112 -13.675 -6.761 -7.041 1989 HA ASN 112 HA ASN 112 -12.090 -4.853 -5.442 1990 1HB ASN 112 2HB ASN 112 -11.097 -7.210 -6.044 1991 2HB ASN 112 3HB ASN 112 -10.859 -6.491 -7.634 1992 1HD2 ASN 112 1HD2 ASN 112 -8.955 -7.398 -5.555 1993 2HD2 ASN 112 2HD2 ASN 112 -7.927 -6.033 -5.262 1994 H SER 113 H SER 113 -11.426 -3.002 -6.458 1995 HA SER 113 HA SER 113 -12.942 -2.323 -8.833 1996 1HB SER 113 2HB SER 113 -11.178 -0.582 -7.108 1997 2HB SER 113 3HB SER 113 -12.384 -0.030 -8.276 1998 HG SER 113 HG SER 113 -12.821 -1.419 -5.835 1999 H GLU 114 H GLU 114 -12.038 -2.837 -10.738 2000 HA GLU 114 HA GLU 114 -9.229 -2.925 -11.215 2001 1HB GLU 114 2HB GLU 114 -11.690 -3.255 -12.825 2002 2HB GLU 114 3HB GLU 114 -10.263 -2.729 -13.707 2003 1HG GLU 114 2HG GLU 114 -10.365 -5.165 -11.945 2004 2HG GLU 114 3HG GLU 114 -10.613 -5.183 -13.689 2005 H GLY 115 H GLY 115 -8.062 -1.564 -12.740 2006 1HA GLY 115 1HA GLY 115 -7.651 0.474 -13.843 2007 2HA GLY 115 2HA GLY 115 -9.148 1.114 -13.174 2008 H GLY 116 H GLY 116 -9.168 1.631 -10.862 2009 1HA GLY 116 1HA GLY 116 -7.436 1.662 -8.929 2010 2HA GLY 116 2HA GLY 116 -6.551 2.693 -10.046 2011 H MET 117 H MET 117 -6.781 4.117 -8.077 2012 HA MET 117 HA MET 117 -9.282 5.275 -7.416 2013 1HB MET 117 2HB MET 117 -7.458 5.429 -5.853 2014 2HB MET 117 3HB MET 117 -6.442 6.236 -7.037 2015 1HG MET 117 2HG MET 117 -7.075 8.023 -5.789 2016 2HG MET 117 3HG MET 117 -8.372 8.022 -6.983 2017 1HE MET 117 1HE MET 117 -7.244 7.300 -3.406 2018 2HE MET 117 2HE MET 117 -7.952 8.912 -3.526 2019 3HE MET 117 3HE MET 117 -8.725 7.682 -2.524 2020 H ASP 118 H ASP 118 -6.901 5.905 -9.859 2021 HA ASP 118 HA ASP 118 -7.635 8.493 -10.603 2022 1HB ASP 118 2HB ASP 118 -6.011 8.245 -12.135 2023 2HB ASP 118 3HB ASP 118 -5.736 6.664 -11.418 2024 H LYS 119 H LYS 119 -9.069 5.366 -11.372 2025 HA LYS 119 HA LYS 119 -10.675 6.266 -13.516 2026 1HB LYS 119 2HB LYS 119 -10.239 3.827 -12.042 2027 2HB LYS 119 3HB LYS 119 -11.960 4.092 -12.291 2028 1HG LYS 119 2HG LYS 119 -11.359 2.875 -14.155 2029 2HG LYS 119 3HG LYS 119 -11.304 4.537 -14.747 2030 1HD LYS 119 2HD LYS 119 -8.765 4.120 -13.740 2031 2HD LYS 119 3HD LYS 119 -9.173 2.574 -14.491 2032 1HE LYS 119 2HE LYS 119 -8.515 3.522 -16.408 2033 2HE LYS 119 3HE LYS 119 -10.050 4.388 -16.350 2034 1HZ LYS 119 HZ1 LYS 119 -7.976 5.632 -14.789 2035 2HZ LYS 119 HZ2 LYS 119 -7.606 5.539 -16.439 2036 3HZ LYS 119 HZ3 LYS 119 -9.029 6.310 -15.942 2037 H TRP 120 H TRP 120 -11.104 6.217 -10.026 2038 HA TRP 120 HA TRP 120 -13.888 6.599 -9.937 2039 1HB TRP 120 HB2 TRP 120 -12.162 6.138 -8.017 2040 2HB TRP 120 HB3 TRP 120 -12.060 7.893 -7.934 2041 HD1 TRP 120 HD1 TRP 120 -14.051 9.174 -6.822 2042 HE1 TRP 120 HE1 TRP 120 -16.149 8.442 -5.530 2043 HE3 TRP 120 HE3 TRP 120 -13.945 4.174 -7.880 2044 HZ2 TRP 120 HZ2 TRP 120 -17.556 6.061 -5.009 2045 HZ3 TRP 120 HZ3 TRP 120 -15.706 2.736 -6.931 2046 HH2 TRP 120 HH2 TRP 120 -17.471 3.664 -5.524 2047 H LEU 121 H LEU 121 -11.253 9.025 -9.755 2048 HA LEU 121 HA LEU 121 -12.976 11.249 -9.925 2049 1HB LEU 121 2HB LEU 121 -10.078 10.734 -10.019 2050 2HB LEU 121 3HB LEU 121 -10.596 12.170 -10.879 2051 HG LEU 121 HG LEU 121 -10.996 11.582 -7.941 2052 1HD1 LEU 121 1HD1 LEU 121 -8.760 12.444 -9.045 2053 2HD1 LEU 121 2HD1 LEU 121 -9.621 13.984 -9.017 2054 3HD1 LEU 121 3HD1 LEU 121 -9.352 13.096 -7.517 2055 1HD2 LEU 121 1HD2 LEU 121 -12.870 12.830 -9.285 2056 2HD2 LEU 121 2HD2 LEU 121 -12.320 13.451 -7.728 2057 3HD2 LEU 121 3HD2 LEU 121 -11.730 14.173 -9.223 2058 H GLU 122 H GLU 122 -11.190 9.385 -12.344 2059 HA GLU 122 HA GLU 122 -11.565 11.123 -14.510 2060 1HB GLU 122 2HB GLU 122 -10.402 8.591 -14.068 2061 2HB GLU 122 3HB GLU 122 -11.530 8.396 -15.402 2062 1HG GLU 122 2HG GLU 122 -10.428 10.435 -16.433 2063 2HG GLU 122 3HG GLU 122 -9.169 10.234 -15.214 2064 H GLU 123 H GLU 123 -13.518 8.378 -13.414 2065 HA GLU 123 HA GLU 123 -15.358 8.571 -15.597 2066 1HB GLU 123 2HB GLU 123 -14.762 6.596 -13.864 2067 2HB GLU 123 3HB GLU 123 -16.219 7.224 -13.104 2068 1HG GLU 123 2HG GLU 123 -16.806 5.425 -14.570 2069 2HG GLU 123 3HG GLU 123 -17.417 6.938 -15.239 2070 H GLY 124 H GLY 124 -14.887 10.552 -13.018 2071 1HA GLY 124 1HA GLY 124 -16.121 12.355 -12.281 2072 2HA GLY 124 2HA GLY 124 -17.381 11.898 -13.420 2073 H LEU 125 H LEU 125 -16.100 9.703 -11.038 2074 HA LEU 125 HA LEU 125 -18.717 9.295 -9.934 2075 1HB LEU 125 2HB LEU 125 -16.005 8.196 -9.183 2076 2HB LEU 125 3HB LEU 125 -17.505 7.704 -8.422 2077 HG LEU 125 HG LEU 125 -16.700 7.264 -11.295 2078 1HD1 LEU 125 1HD1 LEU 125 -16.523 5.711 -8.875 2079 2HD1 LEU 125 2HD1 LEU 125 -17.489 4.890 -10.102 2080 3HD1 LEU 125 3HD1 LEU 125 -15.841 5.398 -10.470 2081 1HD2 LEU 125 1HD2 LEU 125 -19.297 7.641 -10.296 2082 2HD2 LEU 125 2HD2 LEU 125 -18.830 7.003 -11.874 2083 3HD2 LEU 125 3HD2 LEU 125 -19.102 5.902 -10.523 2084 HA PRO 126 HA PRO 126 -18.755 12.129 -6.612 2085 1HB PRO 126 2HB PRO 126 -19.536 10.575 -4.484 2086 2HB PRO 126 3HB PRO 126 -20.634 11.176 -5.731 2087 1HG PRO 126 2HG PRO 126 -19.294 8.503 -5.516 2088 2HG PRO 126 3HG PRO 126 -20.986 8.877 -5.921 2089 1HD PRO 126 2HD PRO 126 -19.248 8.271 -7.839 2090 2HD PRO 126 3HD PRO 126 -20.433 9.575 -8.082 2091 H SER 127 H SER 127 -16.965 12.990 -5.734 2092 HA SER 127 HA SER 127 -15.430 11.370 -3.859 2093 1HB SER 127 2HB SER 127 -13.536 12.975 -5.165 2094 2HB SER 127 3HB SER 127 -13.709 11.224 -5.307 2095 HG SER 127 HG SER 127 -15.276 11.689 -7.011 2096 H LEU 128 H LEU 128 -14.549 12.590 -2.164 2097 HA LEU 128 HA LEU 128 -15.589 15.320 -1.959 2098 1HB LEU 128 2HB LEU 128 -14.435 13.398 0.056 2099 2HB LEU 128 3HB LEU 128 -14.712 15.088 0.428 2100 HG LEU 128 HG LEU 128 -16.961 13.399 -0.602 2101 1HD1 LEU 128 1HD1 LEU 128 -15.562 13.033 1.908 2102 2HD1 LEU 128 2HD1 LEU 128 -17.258 13.456 2.145 2103 3HD1 LEU 128 3HD1 LEU 128 -16.827 12.055 1.162 2104 1HD2 LEU 128 1HD2 LEU 128 -16.630 15.966 0.871 2105 2HD2 LEU 128 2HD2 LEU 128 -17.662 15.581 -0.506 2106 3HD2 LEU 128 3HD2 LEU 128 -18.101 15.022 1.108 2107 H ASP 129 H ASP 129 -14.252 16.632 -3.033 2108 HA ASP 129 HA ASP 129 -11.389 16.531 -2.358 2109 1HB ASP 129 2HB ASP 129 -11.056 16.080 -4.546 2110 2HB ASP 129 3HB ASP 129 -12.735 16.415 -4.942 2111 H ARG 130 H ARG 130 -10.431 18.442 -1.806 2112 HA ARG 130 HA ARG 130 -12.180 20.778 -1.662 2113 1HB ARG 130 2HB ARG 130 -10.283 19.755 0.122 2114 2HB ARG 130 3HB ARG 130 -9.498 21.154 -0.602 2115 1HG ARG 130 2HG ARG 130 -12.005 22.105 -0.048 2116 2HG ARG 130 3HG ARG 130 -11.696 21.017 1.306 2117 1HD ARG 130 2HD ARG 130 -9.375 22.622 0.695 2118 2HD ARG 130 3HD ARG 130 -10.788 23.632 1.009 2119 HE ARG 130 HE ARG 130 -10.188 21.497 2.911 2120 1HH1 ARG 130 1HH1 ARG 130 -10.192 24.921 2.171 2121 2HH1 ARG 130 2HH1 ARG 130 -9.959 25.403 3.823 2122 1HH2 ARG 130 1HH2 ARG 130 -9.923 22.120 5.077 2123 2HH2 ARG 130 2HH2 ARG 130 -9.835 23.812 5.484 2124 H SER 131 H SER 131 -12.135 20.946 -3.916 2125 HA SER 131 HA SER 131 -10.286 20.867 -5.745 2126 1HB SER 131 2HB SER 131 -12.072 23.281 -5.743 2127 2HB SER 131 3HB SER 131 -11.590 22.259 -7.103 2128 HG SER 131 HG SER 131 -12.742 20.531 -5.789 2129 H HIS 132 H HIS 132 -8.352 21.543 -6.059 2130 HA HIS 132 HA HIS 132 -7.130 23.468 -4.396 2131 1HB HIS 132 2HB HIS 132 -6.227 21.797 -6.713 2132 2HB HIS 132 3HB HIS 132 -5.175 23.067 -6.095 2133 HD1 HIS 132 HD1 HIS 132 -4.703 19.901 -5.947 2134 HD2 HIS 132 HD2 HIS 132 -5.950 22.390 -2.857 2135 HE1 HIS 132 HE1 HIS 132 -4.063 18.719 -3.825 2136 HE2 HIS 132 HE2 HIS 132 -4.597 20.358 -1.992 2137 H HIS 133 H HIS 133 -8.985 25.018 -5.392 2138 HA HIS 133 HA HIS 133 -7.930 26.507 -7.666 2139 1HB HIS 133 2HB HIS 133 -10.493 26.003 -6.894 2140 2HB HIS 133 3HB HIS 133 -10.247 27.607 -6.207 2141 HD1 HIS 133 HD1 HIS 133 -10.849 29.445 -7.749 2142 HD2 HIS 133 HD2 HIS 133 -9.648 26.026 -9.796 2143 HE1 HIS 133 HE1 HIS 133 -11.100 29.989 -10.194 2144 HE2 HIS 133 HE2 HIS 133 -10.502 27.859 -11.408 2145 H HIS 134 H HIS 134 -6.184 26.517 -5.575 2146 HA HIS 134 HA HIS 134 -6.373 29.308 -4.664 2147 1HB HIS 134 2HB HIS 134 -6.596 27.399 -2.872 2148 2HB HIS 134 3HB HIS 134 -4.848 27.284 -3.060 2149 HD1 HIS 134 HD1 HIS 134 -7.490 29.864 -2.181 2150 HD2 HIS 134 HD2 HIS 134 -3.439 29.110 -1.609 2151 HE1 HIS 134 HE1 HIS 134 -6.682 31.650 -0.607 2152 HE2 HIS 134 HE2 HIS 134 -4.189 31.321 -0.481 2153 H HIS 135 H HIS 135 -5.116 27.910 -7.002 2154 HA HIS 135 HA HIS 135 -2.342 28.747 -6.482 2155 1HB HIS 135 2HB HIS 135 -3.425 26.442 -7.850 2156 2HB HIS 135 3HB HIS 135 -2.379 27.374 -8.918 2157 HD1 HIS 135 HD1 HIS 135 0.129 27.440 -8.373 2158 HD2 HIS 135 HD2 HIS 135 -2.140 25.285 -5.628 2159 HE1 HIS 135 HE1 HIS 135 1.785 26.210 -6.934 2160 HE2 HIS 135 HE2 HIS 135 0.394 25.135 -5.130 2161 H HIS 136 H HIS 136 -2.379 30.844 -6.949 2162 HA HIS 136 HA HIS 136 -3.789 31.895 -9.228 2163 1HB HIS 136 2HB HIS 136 -3.144 33.020 -6.912 2164 2HB HIS 136 3HB HIS 136 -1.690 33.467 -7.798 2165 HD1 HIS 136 HD1 HIS 136 -1.845 35.492 -9.244 2166 HD2 HIS 136 HD2 HIS 136 -5.584 34.025 -8.171 2167 HE1 HIS 136 HE1 HIS 136 -3.503 37.194 -10.071 2168 HE2 HIS 136 HE2 HIS 136 -5.766 36.192 -9.576 2169 H HIS 137 H HIS 137 -0.668 30.652 -8.565 2170 HA HIS 137 HA HIS 137 0.074 31.081 -11.348 2171 1HB HIS 137 2HB HIS 137 1.160 32.745 -9.490 2172 2HB HIS 137 3HB HIS 137 2.318 31.422 -9.451 2173 HD1 HIS 137 HD1 HIS 137 0.597 33.421 -12.220 2174 HD2 HIS 137 HD2 HIS 137 4.322 31.895 -11.170 2175 HE1 HIS 137 HE1 HIS 137 2.156 34.109 -14.063 2176 HE2 HIS 137 HE2 HIS 137 4.437 33.381 -13.287 Start of MODEL 7 1 1H ALA 1 H1 ALA 1 -23.878 -9.250 13.618 2 2H ALA 1 H2 ALA 1 -25.199 -8.744 12.685 3 3H ALA 1 H3 ALA 1 -23.955 -9.653 11.971 4 HA ALA 1 HA ALA 1 -22.854 -7.858 11.448 5 1HB ALA 1 1HB ALA 1 -25.432 -6.975 11.913 6 2HB ALA 1 2HB ALA 1 -24.423 -5.814 12.776 7 3HB ALA 1 3HB ALA 1 -24.161 -6.100 11.056 8 H ASP 2 H ASP 2 -22.027 -9.143 13.854 9 HA ASP 2 HA ASP 2 -20.515 -6.945 15.011 10 1HB ASP 2 2HB ASP 2 -21.398 -6.916 17.094 11 2HB ASP 2 3HB ASP 2 -22.824 -7.556 16.288 12 H MET 3 H MET 3 -20.477 -9.886 13.707 13 HA MET 3 HA MET 3 -18.739 -11.281 15.505 14 1HB MET 3 2HB MET 3 -18.855 -13.040 14.054 15 2HB MET 3 3HB MET 3 -20.310 -12.178 13.585 16 1HG MET 3 2HG MET 3 -19.557 -11.820 11.525 17 2HG MET 3 3HG MET 3 -17.967 -11.318 12.097 18 1HE MET 3 1HE MET 3 -20.178 -14.051 10.665 19 2HE MET 3 2HE MET 3 -19.286 -15.551 10.917 20 3HE MET 3 3HE MET 3 -20.050 -14.740 12.283 21 H GLY 4 H GLY 4 -18.148 -8.560 14.039 22 1HA GLY 4 1HA GLY 4 -15.875 -8.679 12.491 23 2HA GLY 4 2HA GLY 4 -16.219 -7.369 13.603 24 H GLU 5 H GLU 5 -16.118 -9.318 15.856 25 HA GLU 5 HA GLU 5 -13.342 -9.062 16.511 26 1HB GLU 5 2HB GLU 5 -14.108 -10.614 18.477 27 2HB GLU 5 3HB GLU 5 -14.645 -8.942 18.410 28 1HG GLU 5 2HG GLU 5 -16.787 -9.518 18.198 29 2HG GLU 5 3HG GLU 5 -16.426 -10.774 17.014 30 H LYS 6 H LYS 6 -15.367 -11.604 15.267 31 HA LYS 6 HA LYS 6 -13.732 -13.798 15.862 32 1HB LYS 6 2HB LYS 6 -15.975 -13.299 13.972 33 2HB LYS 6 3HB LYS 6 -15.004 -14.744 13.728 34 1HG LYS 6 2HG LYS 6 -15.796 -14.381 16.499 35 2HG LYS 6 3HG LYS 6 -17.170 -14.510 15.397 36 1HD LYS 6 2HD LYS 6 -16.248 -16.590 14.494 37 2HD LYS 6 3HD LYS 6 -14.869 -16.457 15.588 38 1HE LYS 6 2HE LYS 6 -16.131 -17.802 16.889 39 2HE LYS 6 3HE LYS 6 -16.877 -16.276 17.361 40 1HZ LYS 6 HZ1 LYS 6 -17.885 -18.052 15.198 41 2HZ LYS 6 HZ2 LYS 6 -18.500 -18.010 16.780 42 3HZ LYS 6 HZ3 LYS 6 -18.634 -16.643 15.781 43 H PHE 7 H PHE 7 -14.066 -12.131 12.693 44 HA PHE 7 HA PHE 7 -11.884 -13.648 11.647 45 1HB PHE 7 2HB PHE 7 -12.085 -11.962 9.686 46 2HB PHE 7 3HB PHE 7 -13.366 -13.131 9.958 47 HD1 PHE 7 HD1 PHE 7 -12.444 -9.642 10.890 48 HD2 PHE 7 HD2 PHE 7 -15.533 -12.393 9.903 49 HE1 PHE 7 HE1 PHE 7 -14.074 -7.804 10.891 50 HE2 PHE 7 HE2 PHE 7 -17.171 -10.559 9.909 51 HZ PHE 7 HZ PHE 7 -16.440 -8.256 10.400 52 H ASP 8 H ASP 8 -12.117 -10.694 13.327 53 HA ASP 8 HA ASP 8 -9.961 -9.218 12.424 54 1HB ASP 8 2HB ASP 8 -11.156 -8.110 14.077 55 2HB ASP 8 3HB ASP 8 -11.222 -9.524 15.123 56 H ALA 9 H ALA 9 -9.913 -11.760 14.909 57 HA ALA 9 HA ALA 9 -7.175 -11.763 15.445 58 1HB ALA 9 1HB ALA 9 -8.837 -12.927 16.816 59 2HB ALA 9 2HB ALA 9 -9.074 -14.101 15.522 60 3HB ALA 9 3HB ALA 9 -7.516 -13.994 16.340 61 H THR 10 H THR 10 -9.022 -13.576 13.006 62 HA THR 10 HA THR 10 -6.830 -15.076 12.047 63 HB THR 10 HB THR 10 -8.910 -14.479 10.072 64 HG1 THR 10 HG1 THR 10 -10.116 -16.051 11.861 65 1HG2 THR 10 1HG2 THR 10 -7.163 -16.538 10.655 66 2HG2 THR 10 2HG2 THR 10 -8.726 -17.176 11.167 67 3HG2 THR 10 3HG2 THR 10 -8.503 -16.614 9.510 68 H PHE 11 H PHE 11 -8.306 -12.032 10.929 69 HA PHE 11 HA PHE 11 -6.729 -11.649 8.654 70 1HB PHE 11 2HB PHE 11 -8.800 -10.323 9.696 71 2HB PHE 11 3HB PHE 11 -7.514 -9.276 10.280 72 HD1 PHE 11 HD1 PHE 11 -5.663 -8.858 8.287 73 HD2 PHE 11 HD2 PHE 11 -9.829 -9.581 7.794 74 HE1 PHE 11 HE1 PHE 11 -5.604 -7.693 6.122 75 HE2 PHE 11 HE2 PHE 11 -9.774 -8.422 5.626 76 HZ PHE 11 HZ PHE 11 -7.662 -7.470 4.791 77 H LYS 12 H LYS 12 -6.249 -10.550 11.983 78 HA LYS 12 HA LYS 12 -3.777 -9.245 11.552 79 1HB LYS 12 2HB LYS 12 -5.413 -9.110 13.559 80 2HB LYS 12 3HB LYS 12 -4.546 -10.516 14.161 81 1HG LYS 12 2HG LYS 12 -3.272 -8.959 15.162 82 2HG LYS 12 3HG LYS 12 -2.473 -8.901 13.589 83 1HD LYS 12 2HD LYS 12 -3.726 -6.988 12.934 84 2HD LYS 12 3HD LYS 12 -4.796 -7.133 14.328 85 1HE LYS 12 2HE LYS 12 -3.459 -5.670 15.347 86 2HE LYS 12 3HE LYS 12 -2.276 -6.973 15.452 87 1HZ LYS 12 HZ1 LYS 12 -2.237 -5.660 12.902 88 2HZ LYS 12 HZ2 LYS 12 -1.930 -4.585 14.183 89 3HZ LYS 12 HZ3 LYS 12 -0.963 -5.962 13.986 90 H ALA 13 H ALA 13 -4.638 -12.570 11.988 91 HA ALA 13 HA ALA 13 -2.040 -13.510 12.759 92 1HB ALA 13 1HB ALA 13 -4.068 -14.755 13.320 93 2HB ALA 13 2HB ALA 13 -4.379 -15.022 11.603 94 3HB ALA 13 3HB ALA 13 -2.955 -15.736 12.365 95 H GLN 14 H GLN 14 -3.846 -13.312 9.744 96 HA GLN 14 HA GLN 14 -1.867 -14.641 8.164 97 1HB GLN 14 2HB GLN 14 -4.413 -13.244 7.672 98 2HB GLN 14 3HB GLN 14 -3.257 -13.170 6.347 99 1HG GLN 14 2HG GLN 14 -3.187 -15.813 7.119 100 2HG GLN 14 3HG GLN 14 -4.888 -15.376 7.278 101 1HE2 GLN 14 1HE2 GLN 14 -6.100 -15.275 5.510 102 2HE2 GLN 14 2HE2 GLN 14 -5.513 -15.402 3.887 103 H VAL 15 H VAL 15 -2.793 -11.243 8.568 104 HA VAL 15 HA VAL 15 -0.857 -10.193 6.836 105 HB VAL 15 HB VAL 15 -2.452 -9.014 9.089 106 1HG1 VAL 15 1HG1 VAL 15 -0.182 -7.747 7.618 107 2HG1 VAL 15 2HG1 VAL 15 -1.570 -6.771 8.104 108 3HG1 VAL 15 3HG1 VAL 15 -0.623 -7.627 9.323 109 1HG2 VAL 15 1HG2 VAL 15 -2.412 -8.606 6.099 110 2HG2 VAL 15 2HG2 VAL 15 -3.630 -9.475 7.033 111 3HG2 VAL 15 3HG2 VAL 15 -3.451 -7.732 7.222 112 H LYS 16 H LYS 16 -0.667 -11.023 10.256 113 HA LYS 16 HA LYS 16 1.838 -9.759 10.738 114 1HB LYS 16 2HB LYS 16 0.016 -11.517 12.192 115 2HB LYS 16 3HB LYS 16 1.707 -11.849 12.536 116 1HG LYS 16 2HG LYS 16 0.662 -9.053 12.637 117 2HG LYS 16 3HG LYS 16 0.431 -10.156 13.995 118 1HD LYS 16 2HD LYS 16 3.047 -10.544 13.540 119 2HD LYS 16 3HD LYS 16 2.895 -8.875 12.984 120 1HE LYS 16 2HE LYS 16 3.173 -8.343 15.138 121 2HE LYS 16 3HE LYS 16 1.484 -8.814 15.310 122 1HZ LYS 16 HZ1 LYS 16 3.252 -11.058 15.473 123 2HZ LYS 16 HZ2 LYS 16 3.607 -9.890 16.650 124 3HZ LYS 16 HZ3 LYS 16 2.047 -10.551 16.556 125 H ALA 17 H ALA 17 0.881 -12.934 9.589 126 HA ALA 17 HA ALA 17 3.312 -14.277 9.888 127 1HB ALA 17 1HB ALA 17 0.946 -14.637 8.107 128 2HB ALA 17 2HB ALA 17 2.395 -15.606 7.836 129 3HB ALA 17 3HB ALA 17 1.562 -15.681 9.389 130 H ALA 18 H ALA 18 2.326 -11.910 7.560 131 HA ALA 18 HA ALA 18 4.045 -12.493 5.446 132 1HB ALA 18 1HB ALA 18 2.381 -10.282 6.258 133 2HB ALA 18 2HB ALA 18 3.860 -9.735 5.467 134 3HB ALA 18 3HB ALA 18 2.784 -10.863 4.641 135 H LYS 19 H LYS 19 4.680 -10.706 8.441 136 HA LYS 19 HA LYS 19 7.233 -9.739 7.603 137 1HB LYS 19 2HB LYS 19 7.349 -8.687 9.653 138 2HB LYS 19 3HB LYS 19 5.613 -8.805 9.416 139 1HG LYS 19 2HG LYS 19 5.344 -10.325 11.090 140 2HG LYS 19 3HG LYS 19 6.963 -10.999 10.891 141 1HD LYS 19 2HD LYS 19 7.163 -8.255 11.690 142 2HD LYS 19 3HD LYS 19 6.090 -9.114 12.797 143 1HE LYS 19 2HE LYS 19 7.821 -10.845 13.084 144 2HE LYS 19 3HE LYS 19 8.894 -9.921 12.037 145 1HZ LYS 19 HZ1 LYS 19 7.781 -8.940 14.612 146 2HZ LYS 19 HZ2 LYS 19 9.342 -9.562 14.401 147 3HZ LYS 19 HZ3 LYS 19 8.889 -8.119 13.626 148 H ALA 20 H ALA 20 6.086 -12.701 8.793 149 HA ALA 20 HA ALA 20 8.458 -13.547 10.163 150 1HB ALA 20 1HB ALA 20 5.855 -14.726 9.478 151 2HB ALA 20 2HB ALA 20 7.192 -15.867 9.608 152 3HB ALA 20 3HB ALA 20 6.790 -14.821 10.970 153 H ASP 21 H ASP 21 7.393 -13.575 6.866 154 HA ASP 21 HA ASP 21 9.238 -15.648 6.065 155 1HB ASP 21 2HB ASP 21 6.881 -15.078 5.080 156 2HB ASP 21 3HB ASP 21 7.771 -13.897 4.124 157 H MET 22 H MET 22 10.123 -12.878 7.095 158 HA MET 22 HA MET 22 12.211 -12.579 5.074 159 1HB MET 22 2HB MET 22 11.986 -10.198 4.904 160 2HB MET 22 3HB MET 22 10.428 -10.922 4.534 161 1HG MET 22 2HG MET 22 10.339 -10.472 7.268 162 2HG MET 22 3HG MET 22 11.162 -9.057 6.619 163 1HE MET 22 1HE MET 22 9.026 -11.028 4.378 164 2HE MET 22 2HE MET 22 7.548 -10.097 4.145 165 3HE MET 22 3HE MET 22 9.078 -9.487 3.522 166 H VAL 23 H VAL 23 13.985 -11.156 5.826 167 HA VAL 23 HA VAL 23 14.586 -11.642 8.629 168 HB VAL 23 HB VAL 23 16.281 -10.248 6.543 169 1HG1 VAL 23 1HG1 VAL 23 16.729 -9.919 9.053 170 2HG1 VAL 23 2HG1 VAL 23 17.273 -11.598 9.027 171 3HG1 VAL 23 3HG1 VAL 23 18.075 -10.396 8.018 172 1HG2 VAL 23 1HG2 VAL 23 15.619 -13.019 6.822 173 2HG2 VAL 23 2HG2 VAL 23 16.644 -12.233 5.621 174 3HG2 VAL 23 3HG2 VAL 23 17.336 -12.781 7.147 175 H MET 24 H MET 24 13.565 -10.267 9.943 176 HA MET 24 HA MET 24 12.970 -7.576 9.132 177 1HB MET 24 2HB MET 24 12.422 -9.126 11.657 178 2HB MET 24 3HB MET 24 11.985 -7.431 11.473 179 1HG MET 24 2HG MET 24 11.058 -8.960 9.223 180 2HG MET 24 3HG MET 24 10.490 -9.669 10.733 181 1HE MET 24 1HE MET 24 11.031 -6.567 8.750 182 2HE MET 24 2HE MET 24 9.406 -6.818 8.109 183 3HE MET 24 3HE MET 24 9.730 -5.455 9.179 184 H LEU 25 H LEU 25 14.371 -6.014 9.236 185 HA LEU 25 HA LEU 25 16.278 -5.920 11.479 186 1HB LEU 25 2HB LEU 25 16.672 -5.710 8.577 187 2HB LEU 25 3HB LEU 25 17.442 -4.433 9.495 188 HG LEU 25 HG LEU 25 18.021 -7.366 9.490 189 1HD1 LEU 25 1HD1 LEU 25 19.327 -4.884 8.749 190 2HD1 LEU 25 2HD1 LEU 25 20.339 -5.898 9.779 191 3HD1 LEU 25 3HD1 LEU 25 19.691 -6.541 8.270 192 1HD2 LEU 25 1HD2 LEU 25 17.884 -5.746 11.854 193 2HD2 LEU 25 2HD2 LEU 25 18.311 -7.450 11.690 194 3HD2 LEU 25 3HD2 LEU 25 19.556 -6.208 11.532 195 H SER 26 H SER 26 16.701 -3.909 12.356 196 HA SER 26 HA SER 26 14.570 -2.006 12.196 197 1HB SER 26 2HB SER 26 16.894 -0.988 13.560 198 2HB SER 26 3HB SER 26 15.344 -1.485 14.241 199 HG SER 26 HG SER 26 17.748 -2.823 14.169 200 HA PRO 27 HA PRO 27 15.834 0.613 8.869 201 1HB PRO 27 2HB PRO 27 15.507 3.068 10.243 202 2HB PRO 27 3HB PRO 27 14.322 2.253 9.219 203 1HG PRO 27 2HG PRO 27 14.621 2.212 12.179 204 2HG PRO 27 3HG PRO 27 13.146 2.164 11.194 205 1HD PRO 27 2HD PRO 27 14.026 -0.043 12.364 206 2HD PRO 27 3HD PRO 27 13.405 -0.111 10.709 207 H LYS 28 H LYS 28 17.262 1.194 12.075 208 HA LYS 28 HA LYS 28 19.462 2.722 11.051 209 1HB LYS 28 2HB LYS 28 20.350 1.868 13.451 210 2HB LYS 28 3HB LYS 28 19.309 3.264 13.238 211 1HG LYS 28 2HG LYS 28 17.352 1.879 13.730 212 2HG LYS 28 3HG LYS 28 18.408 0.482 13.962 213 1HD LYS 28 2HD LYS 28 19.499 1.568 15.826 214 2HD LYS 28 3HD LYS 28 18.577 3.045 15.547 215 1HE LYS 28 2HE LYS 28 16.523 1.429 15.847 216 2HE LYS 28 3HE LYS 28 17.701 0.443 16.712 217 1HZ LYS 28 HZ1 LYS 28 18.207 2.507 18.036 218 2HZ LYS 28 HZ2 LYS 28 16.822 3.205 17.347 219 3HZ LYS 28 HZ3 LYS 28 16.680 1.813 18.311 220 H ASP 29 H ASP 29 18.882 -0.619 11.988 221 HA ASP 29 HA ASP 29 21.489 -1.655 11.572 222 1HB ASP 29 2HB ASP 29 18.730 -2.787 11.742 223 2HB ASP 29 3HB ASP 29 19.975 -3.793 11.004 224 H ALA 30 H ALA 30 18.726 -1.089 9.553 225 HA ALA 30 HA ALA 30 19.704 -2.450 7.258 226 1HB ALA 30 1HB ALA 30 17.308 -2.032 7.667 227 2HB ALA 30 2HB ALA 30 17.585 -0.313 7.379 228 3HB ALA 30 3HB ALA 30 17.843 -1.479 6.079 229 H TYR 31 H TYR 31 19.580 0.985 8.195 230 HA TYR 31 HA TYR 31 20.819 1.924 5.829 231 1HB TYR 31 HB2 TYR 31 19.529 3.441 7.201 232 2HB TYR 31 HB3 TYR 31 20.608 3.189 8.565 233 HD1 TYR 31 HD1 TYR 31 20.535 4.466 5.080 234 HD2 TYR 31 HD2 TYR 31 22.450 4.609 8.873 235 HE1 TYR 31 HE1 TYR 31 21.908 6.346 4.305 236 HE2 TYR 31 HE2 TYR 31 23.837 6.488 8.109 237 HH TYR 31 HH TYR 31 23.231 8.113 5.092 238 H LYS 32 H LYS 32 22.065 0.688 8.855 239 HA LYS 32 HA LYS 32 24.688 1.640 8.709 240 1HB LYS 32 2HB LYS 32 23.467 0.320 10.589 241 2HB LYS 32 3HB LYS 32 24.075 -1.104 9.754 242 1HG LYS 32 2HG LYS 32 26.143 -0.810 10.522 243 2HG LYS 32 3HG LYS 32 26.118 0.925 10.205 244 1HD LYS 32 2HD LYS 32 24.347 0.287 12.376 245 2HD LYS 32 3HD LYS 32 25.954 -0.371 12.690 246 1HE LYS 32 2HE LYS 32 26.849 1.661 12.998 247 2HE LYS 32 3HE LYS 32 25.984 2.351 11.625 248 1HZ LYS 32 HZ1 LYS 32 24.587 1.746 14.156 249 2HZ LYS 32 HZ2 LYS 32 25.428 3.206 13.955 250 3HZ LYS 32 HZ3 LYS 32 24.138 2.826 12.925 251 H LEU 33 H LEU 33 23.390 -1.477 7.541 252 HA LEU 33 HA LEU 33 25.832 -2.173 6.233 253 1HB LEU 33 2HB LEU 33 24.215 -3.824 5.005 254 2HB LEU 33 3HB LEU 33 24.669 -4.079 6.676 255 HG LEU 33 HG LEU 33 22.380 -2.600 6.949 256 1HD1 LEU 33 1HD1 LEU 33 22.301 -3.176 4.311 257 2HD1 LEU 33 2HD1 LEU 33 21.483 -4.591 4.974 258 3HD1 LEU 33 3HD1 LEU 33 20.866 -2.972 5.321 259 1HD2 LEU 33 1HD2 LEU 33 23.322 -5.195 7.504 260 2HD2 LEU 33 2HD2 LEU 33 21.945 -4.363 8.227 261 3HD2 LEU 33 3HD2 LEU 33 21.713 -5.379 6.803 262 H LEU 34 H LEU 34 23.049 -0.318 5.371 263 HA LEU 34 HA LEU 34 23.183 -0.438 2.572 264 1HB LEU 34 2HB LEU 34 22.044 1.428 4.573 265 2HB LEU 34 3HB LEU 34 22.302 2.077 2.965 266 HG LEU 34 HG LEU 34 20.747 -0.456 3.428 267 1HD1 LEU 34 1HD1 LEU 34 19.724 2.378 3.351 268 2HD1 LEU 34 2HD1 LEU 34 18.717 0.933 3.262 269 3HD1 LEU 34 3HD1 LEU 34 19.651 1.268 4.719 270 1HD2 LEU 34 1HD2 LEU 34 21.659 0.942 1.150 271 2HD2 LEU 34 2HD2 LEU 34 20.622 -0.483 1.219 272 3HD2 LEU 34 3HD2 LEU 34 19.908 1.130 1.226 273 H GLN 35 H GLN 35 24.548 2.024 4.781 274 HA GLN 35 HA GLN 35 25.926 3.322 2.654 275 1HB GLN 35 2HB GLN 35 27.148 4.474 4.642 276 2HB GLN 35 3HB GLN 35 25.445 4.799 4.365 277 1HG GLN 35 2HG GLN 35 25.071 4.258 6.471 278 2HG GLN 35 3HG GLN 35 25.497 2.595 6.069 279 1HE2 GLN 35 1HE2 GLN 35 27.019 1.741 7.265 280 2HE2 GLN 35 2HE2 GLN 35 28.270 2.598 8.110 281 H GLU 36 H GLU 36 26.829 0.839 4.975 282 HA GLU 36 HA GLU 36 29.629 1.085 4.510 283 1HB GLU 36 2HB GLU 36 28.345 0.100 6.550 284 2HB GLU 36 3HB GLU 36 28.314 -1.379 5.602 285 1HG GLU 36 2HG GLU 36 30.796 -1.244 5.440 286 2HG GLU 36 3HG GLU 36 30.738 0.113 6.565 287 H ASN 37 H ASN 37 27.028 -0.717 3.072 288 HA ASN 37 HA ASN 37 28.973 -2.035 1.289 289 1HB ASN 37 2HB ASN 37 26.518 -3.114 2.633 290 2HB ASN 37 3HB ASN 37 27.078 -3.815 1.121 291 1HD2 ASN 37 1HD2 ASN 37 27.393 -3.776 4.457 292 2HD2 ASN 37 2HD2 ASN 37 28.798 -4.773 4.595 293 HA PRO 38 HA PRO 38 26.476 0.533 -1.511 294 1HB PRO 38 2HB PRO 38 28.620 -0.196 -3.393 295 2HB PRO 38 3HB PRO 38 28.065 1.402 -2.889 296 1HG PRO 38 2HG PRO 38 30.427 0.421 -2.085 297 2HG PRO 38 3HG PRO 38 29.429 1.434 -1.023 298 1HD PRO 38 2HD PRO 38 29.761 -1.545 -1.035 299 2HD PRO 38 3HD PRO 38 29.694 -0.424 0.343 300 H ASP 39 H ASP 39 27.041 -2.711 -1.380 301 HA ASP 39 HA ASP 39 25.886 -3.384 -3.967 302 1HB ASP 39 2HB ASP 39 27.493 -4.757 -1.980 303 2HB ASP 39 3HB ASP 39 26.063 -5.700 -2.384 304 H ILE 40 H ILE 40 25.046 -2.979 -0.653 305 HA ILE 40 HA ILE 40 22.505 -4.360 -0.939 306 HB ILE 40 HB ILE 40 23.544 -2.801 1.433 307 1HG1 ILE 40 2HG1 ILE 40 23.580 -5.792 0.959 308 2HG1 ILE 40 3HG1 ILE 40 24.983 -4.742 0.800 309 1HG2 ILE 40 1HG2 ILE 40 21.036 -4.145 0.833 310 2HG2 ILE 40 2HG2 ILE 40 21.785 -4.733 2.318 311 3HG2 ILE 40 3HG2 ILE 40 21.433 -3.015 2.128 312 1HD1 ILE 40 1HD1 ILE 40 24.540 -4.097 3.230 313 2HD1 ILE 40 2HD1 ILE 40 23.487 -5.510 3.272 314 3HD1 ILE 40 3HD1 ILE 40 25.201 -5.699 2.906 315 H THR 41 H THR 41 21.046 -3.315 -2.059 316 HA THR 41 HA THR 41 20.854 -0.400 -1.924 317 HB THR 41 HB THR 41 19.041 -2.044 -3.646 318 HG1 THR 41 HG1 THR 41 21.703 -2.334 -3.653 319 1HG2 THR 41 1HG2 THR 41 19.756 0.677 -3.422 320 2HG2 THR 41 2HG2 THR 41 20.419 0.104 -4.953 321 3HG2 THR 41 3HG2 THR 41 18.695 -0.067 -4.620 322 H LEU 42 H LEU 42 18.938 0.696 -1.241 323 HA LEU 42 HA LEU 42 17.052 -1.010 0.239 324 1HB LEU 42 2HB LEU 42 18.005 0.656 1.694 325 2HB LEU 42 3HB LEU 42 17.704 1.926 0.525 326 HG LEU 42 HG LEU 42 15.186 1.148 0.908 327 1HD1 LEU 42 1HD1 LEU 42 16.632 -0.273 2.909 328 2HD1 LEU 42 2HD1 LEU 42 15.604 0.929 3.687 329 3HD1 LEU 42 3HD1 LEU 42 14.897 -0.258 2.592 330 1HD2 LEU 42 1HD2 LEU 42 16.448 3.379 1.389 331 2HD2 LEU 42 2HD2 LEU 42 14.893 3.059 2.158 332 3HD2 LEU 42 3HD2 LEU 42 16.391 2.828 3.065 333 H ILE 43 H ILE 43 15.039 -1.176 -0.451 334 HA ILE 43 HA ILE 43 14.159 0.677 -2.562 335 HB ILE 43 HB ILE 43 13.374 -2.210 -2.131 336 1HG1 ILE 43 2HG1 ILE 43 14.650 -0.908 -4.537 337 2HG1 ILE 43 3HG1 ILE 43 15.584 -1.667 -3.251 338 1HG2 ILE 43 1HG2 ILE 43 11.989 -0.034 -3.478 339 2HG2 ILE 43 2HG2 ILE 43 12.304 -1.400 -4.546 340 3HG2 ILE 43 3HG2 ILE 43 11.412 -1.641 -3.044 341 1HD1 ILE 43 1HD1 ILE 43 13.456 -3.334 -4.414 342 2HD1 ILE 43 2HD1 ILE 43 14.804 -2.940 -5.483 343 3HD1 ILE 43 3HD1 ILE 43 15.105 -3.750 -3.945 344 H ASP 44 H ASP 44 12.631 2.013 -1.944 345 HA ASP 44 HA ASP 44 11.018 1.293 0.398 346 1HB ASP 44 2HB ASP 44 11.714 3.351 1.027 347 2HB ASP 44 3HB ASP 44 12.121 3.823 -0.614 348 H VAL 45 H VAL 45 8.935 0.990 0.248 349 HA VAL 45 HA VAL 45 7.686 1.372 -2.389 350 HB VAL 45 HB VAL 45 6.037 -0.412 -1.161 351 1HG1 VAL 45 1HG1 VAL 45 6.919 -0.525 -3.445 352 2HG1 VAL 45 2HG1 VAL 45 8.464 -1.096 -2.815 353 3HG1 VAL 45 3HG1 VAL 45 7.014 -2.084 -2.626 354 1HG2 VAL 45 1HG2 VAL 45 8.804 -0.853 -0.098 355 2HG2 VAL 45 2HG2 VAL 45 7.261 -0.910 0.754 356 3HG2 VAL 45 3HG2 VAL 45 7.704 -2.208 -0.353 357 H ARG 46 H ARG 46 6.727 3.264 -2.199 358 HA ARG 46 HA ARG 46 4.368 3.462 -0.573 359 1HB ARG 46 2HB ARG 46 6.826 4.990 0.071 360 2HB ARG 46 3HB ARG 46 5.359 5.949 -0.034 361 1HG ARG 46 2HG ARG 46 5.754 3.547 1.738 362 2HG ARG 46 3HG ARG 46 5.830 5.232 2.254 363 1HD ARG 46 2HD ARG 46 3.432 5.326 1.170 364 2HD ARG 46 3HD ARG 46 3.475 3.587 1.451 365 HE ARG 46 HE ARG 46 4.078 4.349 3.855 366 1HH1 ARG 46 1HH1 ARG 46 1.854 5.966 1.679 367 2HH1 ARG 46 2HH1 ARG 46 0.875 6.626 2.972 368 1HH2 ARG 46 1HH2 ARG 46 2.762 5.220 5.547 369 2HH2 ARG 46 2HH2 ARG 46 1.389 6.198 5.132 370 H ASP 47 H ASP 47 3.546 5.946 -1.072 371 HA ASP 47 HA ASP 47 3.895 6.209 -3.983 372 1HB ASP 47 2HB ASP 47 1.494 6.752 -2.227 373 2HB ASP 47 3HB ASP 47 1.600 7.289 -3.903 374 HA PRO 48 HA PRO 48 5.572 10.110 -3.602 375 1HB PRO 48 2HB PRO 48 4.394 11.699 -5.454 376 2HB PRO 48 3HB PRO 48 5.419 10.322 -5.872 377 1HG PRO 48 2HG PRO 48 2.428 10.488 -5.755 378 2HG PRO 48 3HG PRO 48 3.458 9.766 -7.008 379 1HD PRO 48 2HD PRO 48 2.249 8.266 -5.130 380 2HD PRO 48 3HD PRO 48 3.861 7.860 -5.756 381 H ASP 49 H ASP 49 2.100 10.349 -3.168 382 HA ASP 49 HA ASP 49 2.046 13.097 -2.552 383 1HB ASP 49 2HB ASP 49 0.137 11.032 -2.817 384 2HB ASP 49 3HB ASP 49 -0.092 11.730 -1.215 385 H GLU 50 H GLU 50 2.026 10.233 -0.448 386 HA GLU 50 HA GLU 50 2.176 11.752 1.969 387 1HB GLU 50 2HB GLU 50 2.577 9.630 3.059 388 2HB GLU 50 3HB GLU 50 1.305 9.434 1.861 389 1HG GLU 50 2HG GLU 50 4.075 8.847 1.001 390 2HG GLU 50 3HG GLU 50 3.317 7.720 2.126 391 H LEU 51 H LEU 51 4.493 10.377 -0.252 392 HA LEU 51 HA LEU 51 6.814 10.604 1.349 393 1HB LEU 51 2HB LEU 51 6.193 9.814 -1.288 394 2HB LEU 51 3HB LEU 51 7.393 11.084 -1.424 395 HG LEU 51 HG LEU 51 8.812 9.784 0.206 396 1HD1 LEU 51 1HD1 LEU 51 6.468 8.230 0.407 397 2HD1 LEU 51 2HD1 LEU 51 7.694 7.223 -0.364 398 3HD1 LEU 51 3HD1 LEU 51 8.021 7.971 1.200 399 1HD2 LEU 51 1HD2 LEU 51 8.497 9.550 -2.541 400 2HD2 LEU 51 2HD2 LEU 51 9.880 9.023 -1.584 401 3HD2 LEU 51 3HD2 LEU 51 8.585 7.888 -1.960 402 H LYS 52 H LYS 52 5.114 12.800 -0.752 403 HA LYS 52 HA LYS 52 7.009 14.909 -0.673 404 1HB LYS 52 2HB LYS 52 5.639 15.722 -2.241 405 2HB LYS 52 3HB LYS 52 4.509 14.420 -1.915 406 1HG LYS 52 2HG LYS 52 3.679 15.975 -0.002 407 2HG LYS 52 3HG LYS 52 4.484 17.238 -0.938 408 1HD LYS 52 2HD LYS 52 2.978 17.126 -2.637 409 2HD LYS 52 3HD LYS 52 2.726 15.391 -2.440 410 1HE LYS 52 2HE LYS 52 1.756 17.234 -0.309 411 2HE LYS 52 3HE LYS 52 0.844 17.130 -1.814 412 1HZ LYS 52 HZ1 LYS 52 1.607 14.619 -0.532 413 2HZ LYS 52 HZ2 LYS 52 0.387 15.523 0.219 414 3HZ LYS 52 HZ3 LYS 52 0.195 15.006 -1.388 415 H ALA 53 H ALA 53 4.266 14.019 1.355 416 HA ALA 53 HA ALA 53 4.274 16.475 2.797 417 1HB ALA 53 1HB ALA 53 2.321 14.898 2.390 418 2HB ALA 53 2HB ALA 53 2.964 13.943 3.727 419 3HB ALA 53 3HB ALA 53 2.461 15.614 3.997 420 H MET 54 H MET 54 5.230 13.166 3.758 421 HA MET 54 HA MET 54 6.320 14.328 6.215 422 1HB MET 54 2HB MET 54 6.624 11.807 6.822 423 2HB MET 54 3HB MET 54 5.037 12.556 6.889 424 1HG MET 54 2HG MET 54 4.254 11.396 5.104 425 2HG MET 54 3HG MET 54 5.845 11.239 4.365 426 1HE MET 54 1HE MET 54 5.002 9.188 3.655 427 2HE MET 54 2HE MET 54 6.063 7.940 4.306 428 3HE MET 54 3HE MET 54 4.333 7.888 4.641 429 H GLY 55 H GLY 55 7.434 12.579 3.389 430 1HA GLY 55 1HA GLY 55 9.724 13.316 2.757 431 2HA GLY 55 2HA GLY 55 10.179 12.920 4.405 432 H LYS 56 H LYS 56 11.693 11.805 2.652 433 HA LYS 56 HA LYS 56 10.976 8.975 2.736 434 1HB LYS 56 2HB LYS 56 12.086 8.874 0.354 435 2HB LYS 56 3HB LYS 56 10.380 9.272 0.510 436 1HG LYS 56 2HG LYS 56 10.689 11.451 -0.092 437 2HG LYS 56 3HG LYS 56 12.345 11.499 0.511 438 1HD LYS 56 2HD LYS 56 12.876 9.873 -1.402 439 2HD LYS 56 3HD LYS 56 11.316 10.361 -2.067 440 1HE LYS 56 2HE LYS 56 12.740 12.699 -1.283 441 2HE LYS 56 3HE LYS 56 13.812 11.693 -2.258 442 1HZ LYS 56 HZ1 LYS 56 11.580 11.569 -3.694 443 2HZ LYS 56 HZ2 LYS 56 11.399 13.117 -3.022 444 3HZ LYS 56 HZ3 LYS 56 12.778 12.741 -3.934 445 HA PRO 57 HA PRO 57 15.145 8.499 4.064 446 1HB PRO 57 2HB PRO 57 16.010 6.300 2.629 447 2HB PRO 57 3HB PRO 57 15.083 6.236 4.129 448 1HG PRO 57 2HG PRO 57 14.167 5.909 1.313 449 2HG PRO 57 3HG PRO 57 13.582 5.114 2.784 450 1HD PRO 57 2HD PRO 57 12.238 7.131 1.554 451 2HD PRO 57 3HD PRO 57 12.165 6.851 3.305 452 H ASP 58 H ASP 58 17.072 9.336 3.584 453 HA ASP 58 HA ASP 58 17.718 9.801 0.746 454 1HB ASP 58 2HB ASP 58 17.452 11.934 1.709 455 2HB ASP 58 3HB ASP 58 18.216 11.448 3.216 456 H VAL 59 H VAL 59 18.875 7.951 0.375 457 HA VAL 59 HA VAL 59 21.418 7.771 1.825 458 HB VAL 59 HB VAL 59 21.379 5.460 2.095 459 1HG1 VAL 59 1HG1 VAL 59 19.072 6.895 2.982 460 2HG1 VAL 59 2HG1 VAL 59 18.643 5.213 2.670 461 3HG1 VAL 59 3HG1 VAL 59 19.959 5.596 3.781 462 1HG2 VAL 59 1HG2 VAL 59 19.708 5.480 -0.255 463 2HG2 VAL 59 2HG2 VAL 59 20.725 4.195 0.396 464 3HG2 VAL 59 3HG2 VAL 59 19.072 4.392 0.978 465 H LYS 60 H LYS 60 23.053 6.564 0.646 466 HA LYS 60 HA LYS 60 23.549 7.666 -1.826 467 1HB LYS 60 2HB LYS 60 25.201 5.596 -1.986 468 2HB LYS 60 3HB LYS 60 25.484 6.924 -0.872 469 1HG LYS 60 2HG LYS 60 25.459 5.525 0.843 470 2HG LYS 60 3HG LYS 60 23.842 4.969 0.409 471 1HD LYS 60 2HD LYS 60 24.841 2.993 0.098 472 2HD LYS 60 3HD LYS 60 25.345 3.688 -1.443 473 1HE LYS 60 2HE LYS 60 26.929 3.584 1.120 474 2HE LYS 60 3HE LYS 60 27.257 2.698 -0.367 475 1HZ LYS 60 HZ1 LYS 60 27.302 5.186 -1.284 476 2HZ LYS 60 HZ2 LYS 60 27.809 5.475 0.306 477 3HZ LYS 60 HZ3 LYS 60 28.678 4.401 -0.680 478 H ASN 61 H ASN 61 22.315 4.396 -1.142 479 HA ASN 61 HA ASN 61 21.611 4.195 -3.989 480 1HB ASN 61 2HB ASN 61 21.854 1.682 -3.649 481 2HB ASN 61 3HB ASN 61 23.342 2.618 -3.682 482 1HD2 ASN 61 1HD2 ASN 61 23.908 0.431 -2.672 483 2HD2 ASN 61 2HD2 ASN 61 23.873 0.362 -0.944 484 H TYR 62 H TYR 62 19.639 5.232 -3.234 485 HA TYR 62 HA TYR 62 17.762 3.267 -2.097 486 1HB TYR 62 HB2 TYR 62 17.611 4.977 -0.554 487 2HB TYR 62 HB3 TYR 62 18.020 6.220 -1.727 488 HD1 TYR 62 HD1 TYR 62 15.270 3.695 -1.428 489 HD2 TYR 62 HD2 TYR 62 16.351 7.776 -1.946 490 HE1 TYR 62 HE1 TYR 62 12.899 4.284 -1.632 491 HE2 TYR 62 HE2 TYR 62 13.977 8.384 -2.132 492 HH TYR 62 HH TYR 62 11.425 6.160 -1.401 493 H LYS 63 H LYS 63 16.166 2.591 -3.394 494 HA LYS 63 HA LYS 63 15.568 4.198 -5.787 495 1HB LYS 63 2HB LYS 63 15.423 1.179 -5.592 496 2HB LYS 63 3HB LYS 63 15.102 2.158 -7.012 497 1HG LYS 63 2HG LYS 63 17.549 2.962 -6.608 498 2HG LYS 63 3HG LYS 63 17.685 1.407 -5.793 499 1HD LYS 63 2HD LYS 63 16.292 1.096 -8.284 500 2HD LYS 63 3HD LYS 63 17.819 1.937 -8.558 501 1HE LYS 63 2HE LYS 63 18.298 -0.189 -6.742 502 2HE LYS 63 3HE LYS 63 17.367 -0.832 -8.093 503 1HZ LYS 63 HZ1 LYS 63 19.674 0.899 -8.656 504 2HZ LYS 63 HZ2 LYS 63 19.954 -0.711 -8.197 505 3HZ LYS 63 HZ3 LYS 63 19.031 -0.369 -9.578 506 H HIS 64 H HIS 64 13.553 4.967 -5.800 507 HA HIS 64 HA HIS 64 11.544 3.795 -4.034 508 1HB HIS 64 2HB HIS 64 11.875 6.289 -4.151 509 2HB HIS 64 3HB HIS 64 11.318 6.234 -5.820 510 HD1 HIS 64 HD1 HIS 64 9.163 7.536 -5.528 511 HD2 HIS 64 HD2 HIS 64 9.497 4.329 -2.899 512 HE1 HIS 64 HE1 HIS 64 6.908 7.310 -4.440 513 HE2 HIS 64 HE2 HIS 64 7.170 5.447 -2.772 514 H MET 65 H MET 65 10.311 2.209 -4.821 515 HA MET 65 HA MET 65 9.932 2.110 -7.741 516 1HB MET 65 2HB MET 65 10.714 0.146 -5.810 517 2HB MET 65 3HB MET 65 9.199 -0.355 -6.548 518 1HG MET 65 2HG MET 65 10.819 -1.309 -7.898 519 2HG MET 65 3HG MET 65 10.337 0.137 -8.781 520 1HE MET 65 1HE MET 65 11.905 1.415 -9.941 521 2HE MET 65 2HE MET 65 11.902 2.525 -8.568 522 3HE MET 65 3HE MET 65 13.427 2.047 -9.314 523 H SER 66 H SER 66 8.070 3.343 -7.963 524 HA SER 66 HA SER 66 5.756 2.470 -6.395 525 1HB SER 66 2HB SER 66 5.288 4.891 -7.869 526 2HB SER 66 3HB SER 66 5.299 4.638 -6.125 527 HG SER 66 HG SER 66 7.599 5.084 -7.749 528 H ARG 67 H ARG 67 4.315 1.306 -7.308 529 HA ARG 67 HA ARG 67 3.144 2.017 -9.790 530 1HB ARG 67 2HB ARG 67 5.135 0.223 -10.186 531 2HB ARG 67 3HB ARG 67 3.815 -0.877 -9.814 532 1HG ARG 67 2HG ARG 67 4.044 -0.502 -12.220 533 2HG ARG 67 3HG ARG 67 2.485 0.060 -11.617 534 1HD ARG 67 2HD ARG 67 4.755 1.991 -11.782 535 2HD ARG 67 3HD ARG 67 3.925 1.529 -13.266 536 HE ARG 67 HE ARG 67 2.838 3.091 -11.054 537 1HH1 ARG 67 1HH1 ARG 67 2.304 1.555 -14.165 538 2HH1 ARG 67 2HH1 ARG 67 0.773 2.338 -14.423 539 1HH2 ARG 67 1HH2 ARG 67 0.818 4.105 -11.392 540 2HH2 ARG 67 2HH2 ARG 67 -0.064 3.779 -12.852 541 H GLY 68 H GLY 68 2.349 -1.234 -9.313 542 1HA GLY 68 1HA GLY 68 0.157 -0.532 -7.545 543 2HA GLY 68 2HA GLY 68 0.509 -2.125 -8.216 544 H LYS 69 H LYS 69 3.110 -2.472 -7.543 545 HA LYS 69 HA LYS 69 3.772 -1.661 -4.946 546 1HB LYS 69 2HB LYS 69 1.984 -3.696 -4.771 547 2HB LYS 69 3HB LYS 69 3.497 -4.594 -4.798 548 1HG LYS 69 2HG LYS 69 2.979 -4.207 -2.524 549 2HG LYS 69 3HG LYS 69 4.295 -3.103 -2.932 550 1HD LYS 69 2HD LYS 69 1.572 -2.033 -3.316 551 2HD LYS 69 3HD LYS 69 2.027 -2.364 -1.645 552 1HE LYS 69 2HE LYS 69 3.605 -0.729 -1.606 553 2HE LYS 69 3HE LYS 69 4.011 -0.928 -3.309 554 1HZ LYS 69 HZ1 LYS 69 1.364 0.056 -3.035 555 2HZ LYS 69 HZ2 LYS 69 2.437 1.046 -2.185 556 3HZ LYS 69 HZ3 LYS 69 2.683 0.759 -3.833 557 H LEU 70 H LEU 70 5.156 -1.396 -7.129 558 HA LEU 70 HA LEU 70 7.308 -1.415 -7.788 559 1HB LEU 70 2HB LEU 70 8.634 -1.712 -6.056 560 2HB LEU 70 3HB LEU 70 7.347 -2.555 -5.225 561 HG LEU 70 HG LEU 70 8.657 -4.393 -7.012 562 1HD1 LEU 70 1HD1 LEU 70 10.457 -2.838 -5.158 563 2HD1 LEU 70 2HD1 LEU 70 10.874 -4.384 -5.898 564 3HD1 LEU 70 3HD1 LEU 70 10.592 -2.969 -6.913 565 1HD2 LEU 70 1HD2 LEU 70 7.629 -4.271 -4.381 566 2HD2 LEU 70 2HD2 LEU 70 8.118 -5.690 -5.307 567 3HD2 LEU 70 3HD2 LEU 70 9.290 -4.859 -4.285 568 H GLU 71 H GLU 71 5.350 -4.108 -8.116 569 HA GLU 71 HA GLU 71 6.935 -6.117 -9.069 570 1HB GLU 71 2HB GLU 71 4.465 -5.684 -10.637 571 2HB GLU 71 3HB GLU 71 5.041 -7.122 -9.809 572 1HG GLU 71 2HG GLU 71 3.328 -6.672 -8.431 573 2HG GLU 71 3HG GLU 71 4.492 -5.577 -7.688 574 HA PRO 72 HA PRO 72 7.021 -4.689 -13.605 575 1HB PRO 72 2HB PRO 72 5.817 -2.032 -13.828 576 2HB PRO 72 3HB PRO 72 5.431 -3.515 -14.705 577 1HG PRO 72 2HG PRO 72 3.761 -2.452 -12.874 578 2HG PRO 72 3HG PRO 72 3.892 -4.201 -13.138 579 1HD PRO 72 2HD PRO 72 5.131 -2.514 -10.988 580 2HD PRO 72 3HD PRO 72 4.333 -4.096 -10.854 581 H LEU 73 H LEU 73 7.600 -2.375 -11.111 582 HA LEU 73 HA LEU 73 9.398 -0.804 -12.748 583 1HB LEU 73 2HB LEU 73 7.921 -0.430 -10.302 584 2HB LEU 73 3HB LEU 73 9.597 0.028 -10.073 585 HG LEU 73 HG LEU 73 7.996 1.868 -10.772 586 1HD1 LEU 73 1HD1 LEU 73 10.633 1.575 -11.187 587 2HD1 LEU 73 2HD1 LEU 73 10.083 1.782 -12.850 588 3HD1 LEU 73 3HD1 LEU 73 9.725 3.017 -11.643 589 1HD2 LEU 73 1HD2 LEU 73 8.016 0.210 -13.267 590 2HD2 LEU 73 2HD2 LEU 73 6.649 0.940 -12.424 591 3HD2 LEU 73 3HD2 LEU 73 7.768 1.955 -13.333 592 H LEU 74 H LEU 74 9.608 -3.260 -10.283 593 HA LEU 74 HA LEU 74 12.233 -2.814 -9.414 594 1HB LEU 74 2HB LEU 74 11.549 -4.385 -8.008 595 2HB LEU 74 3HB LEU 74 10.182 -4.754 -9.036 596 HG LEU 74 HG LEU 74 12.503 -6.014 -10.128 597 1HD1 LEU 74 1HD1 LEU 74 12.021 -6.509 -7.195 598 2HD1 LEU 74 2HD1 LEU 74 12.983 -7.546 -8.249 599 3HD1 LEU 74 3HD1 LEU 74 13.493 -5.887 -7.938 600 1HD2 LEU 74 1HD2 LEU 74 9.848 -6.511 -9.915 601 2HD2 LEU 74 2HD2 LEU 74 11.050 -7.711 -10.393 602 3HD2 LEU 74 3HD2 LEU 74 10.496 -7.634 -8.718 603 H ALA 75 H ALA 75 11.001 -4.382 -12.237 604 HA ALA 75 HA ALA 75 13.424 -5.694 -12.994 605 1HB ALA 75 1HB ALA 75 11.024 -4.904 -14.643 606 2HB ALA 75 2HB ALA 75 12.326 -5.966 -15.180 607 3HB ALA 75 3HB ALA 75 11.282 -6.456 -13.844 608 H LYS 76 H LYS 76 12.030 -2.527 -13.506 609 HA LYS 76 HA LYS 76 13.912 -1.820 -15.559 610 1HB LYS 76 2HB LYS 76 12.106 0.123 -14.154 611 2HB LYS 76 3HB LYS 76 12.698 0.170 -15.809 612 1HG LYS 76 2HG LYS 76 11.229 -2.217 -15.546 613 2HG LYS 76 3HG LYS 76 10.274 -0.937 -14.794 614 1HD LYS 76 2HD LYS 76 9.626 -0.330 -16.836 615 2HD LYS 76 3HD LYS 76 11.286 0.178 -17.151 616 1HE LYS 76 2HE LYS 76 11.786 -2.157 -17.875 617 2HE LYS 76 3HE LYS 76 10.069 -2.525 -17.709 618 1HZ LYS 76 HZ1 LYS 76 9.640 -0.715 -19.337 619 2HZ LYS 76 HZ2 LYS 76 11.314 -0.583 -19.574 620 3HZ LYS 76 HZ3 LYS 76 10.517 -2.022 -19.979 621 H SER 77 H SER 77 13.955 -1.672 -12.139 622 HA SER 77 HA SER 77 15.490 0.722 -11.893 623 1HB SER 77 2HB SER 77 15.925 -0.969 -9.644 624 2HB SER 77 3HB SER 77 14.894 0.458 -9.756 625 HG SER 77 HG SER 77 13.338 -0.914 -9.472 626 H GLY 78 H GLY 78 16.264 -2.625 -12.437 627 1HA GLY 78 1HA GLY 78 18.389 -3.282 -13.326 628 2HA GLY 78 2HA GLY 78 19.112 -1.899 -12.513 629 H LEU 79 H LEU 79 17.160 -4.734 -11.624 630 HA LEU 79 HA LEU 79 18.940 -5.081 -9.309 631 1HB LEU 79 2HB LEU 79 16.012 -5.629 -9.688 632 2HB LEU 79 3HB LEU 79 16.926 -6.399 -8.403 633 HG LEU 79 HG LEU 79 17.039 -3.429 -8.650 634 1HD1 LEU 79 1HD1 LEU 79 14.671 -5.035 -7.830 635 2HD1 LEU 79 2HD1 LEU 79 15.044 -3.547 -6.961 636 3HD1 LEU 79 3HD1 LEU 79 14.750 -3.502 -8.699 637 1HD2 LEU 79 1HD2 LEU 79 18.108 -5.275 -6.920 638 2HD2 LEU 79 2HD2 LEU 79 17.935 -3.548 -6.609 639 3HD2 LEU 79 3HD2 LEU 79 16.703 -4.675 -6.041 640 H ASP 80 H ASP 80 19.658 -7.110 -8.786 641 HA ASP 80 HA ASP 80 18.983 -9.325 -10.564 642 1HB ASP 80 2HB ASP 80 21.672 -8.105 -10.271 643 2HB ASP 80 3HB ASP 80 21.611 -9.864 -10.233 644 HA PRO 81 HA PRO 81 18.614 -11.452 -6.784 645 1HB PRO 81 2HB PRO 81 19.025 -14.021 -7.541 646 2HB PRO 81 3HB PRO 81 17.580 -13.101 -7.991 647 1HG PRO 81 2HG PRO 81 20.055 -13.641 -9.586 648 2HG PRO 81 3HG PRO 81 18.358 -13.722 -10.093 649 1HD PRO 81 2HD PRO 81 19.931 -11.604 -10.657 650 2HD PRO 81 3HD PRO 81 18.190 -11.438 -10.347 651 H GLU 82 H GLU 82 21.535 -10.700 -7.749 652 HA GLU 82 HA GLU 82 22.888 -12.498 -5.855 653 1HB GLU 82 2HB GLU 82 24.991 -11.867 -6.932 654 2HB GLU 82 3HB GLU 82 23.874 -12.539 -8.112 655 1HG GLU 82 2HG GLU 82 24.315 -10.759 -9.362 656 2HG GLU 82 3HG GLU 82 23.364 -9.826 -8.208 657 H LYS 83 H LYS 83 21.422 -9.603 -6.093 658 HA LYS 83 HA LYS 83 23.360 -8.131 -4.480 659 1HB LYS 83 2HB LYS 83 20.842 -7.295 -5.913 660 2HB LYS 83 3HB LYS 83 21.760 -6.217 -4.871 661 1HG LYS 83 2HG LYS 83 23.403 -7.527 -6.883 662 2HG LYS 83 3HG LYS 83 22.111 -6.539 -7.569 663 1HD LYS 83 2HD LYS 83 22.851 -4.629 -6.255 664 2HD LYS 83 3HD LYS 83 24.112 -5.614 -5.510 665 1HE LYS 83 2HE LYS 83 23.988 -5.389 -8.482 666 2HE LYS 83 3HE LYS 83 24.656 -4.055 -7.543 667 1HZ LYS 83 HZ1 LYS 83 26.161 -5.723 -6.487 668 2HZ LYS 83 HZ2 LYS 83 25.615 -6.865 -7.626 669 3HZ LYS 83 HZ3 LYS 83 26.435 -5.472 -8.145 670 HA PRO 84 HA PRO 84 20.793 -8.881 -0.863 671 1HB PRO 84 2HB PRO 84 22.525 -7.115 0.606 672 2HB PRO 84 3HB PRO 84 22.439 -8.875 0.697 673 1HG PRO 84 2HG PRO 84 24.590 -7.486 -0.294 674 2HG PRO 84 3HG PRO 84 24.194 -9.156 -0.734 675 1HD PRO 84 2HD PRO 84 23.642 -6.615 -2.222 676 2HD PRO 84 3HD PRO 84 24.175 -8.198 -2.841 677 H VAL 85 H VAL 85 18.946 -7.772 -0.638 678 HA VAL 85 HA VAL 85 19.075 -4.835 -0.790 679 HB VAL 85 HB VAL 85 16.622 -5.185 -1.706 680 1HG1 VAL 85 1HG1 VAL 85 18.714 -4.132 -2.767 681 2HG1 VAL 85 2HG1 VAL 85 18.858 -5.657 -3.639 682 3HG1 VAL 85 3HG1 VAL 85 17.412 -4.667 -3.830 683 1HG2 VAL 85 1HG2 VAL 85 16.752 -7.659 -1.512 684 2HG2 VAL 85 2HG2 VAL 85 16.379 -7.095 -3.142 685 3HG2 VAL 85 3HG2 VAL 85 18.008 -7.651 -2.750 686 H VAL 86 H VAL 86 17.576 -3.663 0.414 687 HA VAL 86 HA VAL 86 16.061 -5.224 2.383 688 HB VAL 86 HB VAL 86 17.779 -4.299 3.696 689 1HG1 VAL 86 1HG1 VAL 86 17.445 -1.754 2.128 690 2HG1 VAL 86 2HG1 VAL 86 18.428 -1.890 3.586 691 3HG1 VAL 86 3HG1 VAL 86 18.839 -2.835 2.154 692 1HG2 VAL 86 1HG2 VAL 86 15.503 -3.873 4.579 693 2HG2 VAL 86 2HG2 VAL 86 16.704 -2.715 5.151 694 3HG2 VAL 86 3HG2 VAL 86 15.573 -2.254 3.880 695 H VAL 87 H VAL 87 13.989 -4.601 2.684 696 HA VAL 87 HA VAL 87 13.003 -2.458 0.932 697 HB VAL 87 HB VAL 87 10.744 -3.580 1.270 698 1HG1 VAL 87 1HG1 VAL 87 12.877 -4.170 -0.485 699 2HG1 VAL 87 2HG1 VAL 87 12.089 -5.700 -0.091 700 3HG1 VAL 87 3HG1 VAL 87 11.147 -4.368 -0.766 701 1HG2 VAL 87 1HG2 VAL 87 12.496 -5.784 2.351 702 2HG2 VAL 87 2HG2 VAL 87 11.224 -4.922 3.217 703 3HG2 VAL 87 3HG2 VAL 87 10.813 -5.981 1.869 704 H PHE 88 H PHE 88 11.973 -0.758 1.772 705 HA PHE 88 HA PHE 88 11.728 -0.684 4.706 706 1HB PHE 88 2HB PHE 88 13.564 0.683 3.851 707 2HB PHE 88 3HB PHE 88 12.467 1.514 2.756 708 HD1 PHE 88 HD1 PHE 88 12.276 0.696 6.405 709 HD2 PHE 88 HD2 PHE 88 12.287 3.696 3.388 710 HE1 PHE 88 HE1 PHE 88 11.788 2.392 8.101 711 HE2 PHE 88 HE2 PHE 88 11.797 5.398 5.087 712 HZ PHE 88 HZ PHE 88 11.548 4.744 7.445 713 H CYS 89 H CYS 89 9.959 0.291 5.644 714 HA CYS 89 HA CYS 89 7.878 1.192 5.874 715 1HB CYS 89 2HB CYS 89 8.491 2.398 3.553 716 2HB CYS 89 3HB CYS 89 7.228 1.315 2.978 717 H LYS 90 H LYS 90 7.758 -1.070 6.593 718 HA LYS 90 HA LYS 90 6.398 -2.884 4.771 719 1HB LYS 90 2HB LYS 90 6.806 -4.595 6.424 720 2HB LYS 90 3HB LYS 90 8.288 -3.690 6.148 721 1HG LYS 90 2HG LYS 90 8.450 -3.294 8.316 722 2HG LYS 90 3HG LYS 90 6.898 -2.453 8.290 723 1HD LYS 90 2HD LYS 90 5.788 -4.692 8.495 724 2HD LYS 90 3HD LYS 90 7.387 -5.391 8.756 725 1HE LYS 90 2HE LYS 90 7.370 -3.325 10.540 726 2HE LYS 90 3HE LYS 90 5.684 -3.840 10.567 727 1HZ LYS 90 HZ1 LYS 90 7.509 -6.041 10.652 728 2HZ LYS 90 HZ2 LYS 90 7.730 -4.980 11.956 729 3HZ LYS 90 HZ3 LYS 90 6.208 -5.679 11.673 730 H THR 91 H THR 91 5.359 -0.483 6.707 731 HA THR 91 HA THR 91 3.342 -1.816 8.204 732 HB THR 91 HB THR 91 2.729 0.954 7.912 733 HG1 THR 91 HG1 THR 91 4.814 1.762 8.590 734 1HG2 THR 91 1HG2 THR 91 3.935 -0.749 10.089 735 2HG2 THR 91 2HG2 THR 91 3.533 0.955 10.315 736 3HG2 THR 91 3HG2 THR 91 2.264 -0.209 9.933 737 H ALA 92 H ALA 92 2.178 0.982 6.585 738 HA ALA 92 HA ALA 92 -0.204 -0.315 5.849 739 1HB ALA 92 1HB ALA 92 0.876 2.413 5.205 740 2HB ALA 92 2HB ALA 92 -0.727 1.873 4.705 741 3HB ALA 92 3HB ALA 92 -0.323 1.971 6.418 742 H ALA 93 H ALA 93 2.525 0.802 3.883 743 HA ALA 93 HA ALA 93 1.315 0.052 1.410 744 1HB ALA 93 1HB ALA 93 3.924 1.116 2.274 745 2HB ALA 93 2HB ALA 93 3.919 0.187 0.774 746 3HB ALA 93 3HB ALA 93 2.882 1.604 0.937 747 H ARG 94 H ARG 94 3.213 -1.520 3.801 748 HA ARG 94 HA ARG 94 3.770 -3.670 4.178 749 1HB ARG 94 2HB ARG 94 1.738 -4.000 2.013 750 2HB ARG 94 3HB ARG 94 2.690 -5.392 2.512 751 1HG ARG 94 2HG ARG 94 1.093 -3.697 4.413 752 2HG ARG 94 3HG ARG 94 0.479 -5.162 3.644 753 1HD ARG 94 2HD ARG 94 1.575 -6.479 5.070 754 2HD ARG 94 3HD ARG 94 3.074 -5.572 4.873 755 HE ARG 94 HE ARG 94 1.692 -3.928 6.447 756 1HH1 ARG 94 1HH1 ARG 94 2.214 -7.385 6.659 757 2HH1 ARG 94 2HH1 ARG 94 2.053 -7.437 8.383 758 1HH2 ARG 94 1HH2 ARG 94 1.490 -3.998 8.725 759 2HH2 ARG 94 2HH2 ARG 94 1.646 -5.513 9.564 760 H ALA 95 H ALA 95 5.923 -3.039 3.600 761 HA ALA 95 HA ALA 95 7.063 -3.575 1.046 762 1HB ALA 95 1HB ALA 95 8.303 -3.399 3.789 763 2HB ALA 95 2HB ALA 95 9.225 -3.595 2.298 764 3HB ALA 95 3HB ALA 95 8.255 -2.144 2.550 765 H ALA 96 H ALA 96 5.754 -5.554 3.367 766 HA ALA 96 HA ALA 96 7.384 -7.834 3.341 767 1HB ALA 96 1HB ALA 96 5.477 -7.455 4.885 768 2HB ALA 96 2HB ALA 96 4.376 -7.755 3.542 769 3HB ALA 96 3HB ALA 96 5.444 -9.037 4.108 770 H LEU 97 H LEU 97 4.921 -6.658 1.096 771 HA LEU 97 HA LEU 97 4.903 -9.008 -0.540 772 1HB LEU 97 2HB LEU 97 3.766 -6.281 -0.706 773 2HB LEU 97 3HB LEU 97 4.097 -7.064 -2.245 774 HG LEU 97 HG LEU 97 1.788 -7.427 -1.602 775 1HD1 LEU 97 1HD1 LEU 97 3.706 -9.587 -1.955 776 2HD1 LEU 97 2HD1 LEU 97 2.211 -10.109 -1.178 777 3HD1 LEU 97 3HD1 LEU 97 2.156 -9.303 -2.747 778 1HD2 LEU 97 1HD2 LEU 97 2.995 -8.032 0.993 779 2HD2 LEU 97 2HD2 LEU 97 1.375 -7.457 0.597 780 3HD2 LEU 97 3HD2 LEU 97 1.751 -9.176 0.492 781 H ALA 98 H ALA 98 6.816 -6.115 -0.356 782 HA ALA 98 HA ALA 98 7.994 -6.340 -2.935 783 1HB ALA 98 1HB ALA 98 8.263 -4.595 -0.583 784 2HB ALA 98 2HB ALA 98 9.713 -4.764 -1.573 785 3HB ALA 98 3HB ALA 98 8.211 -4.195 -2.300 786 H GLY 99 H GLY 99 8.997 -7.236 0.331 787 1HA GLY 99 1HA GLY 99 11.600 -8.070 -0.644 788 2HA GLY 99 2HA GLY 99 11.086 -7.999 1.033 789 H LYS 100 H LYS 100 8.848 -9.636 0.955 790 HA LYS 100 HA LYS 100 10.115 -12.111 1.268 791 1HB LYS 100 2HB LYS 100 8.184 -12.828 2.221 792 2HB LYS 100 3HB LYS 100 7.841 -11.105 2.233 793 1HG LYS 100 2HG LYS 100 6.122 -11.329 0.830 794 2HG LYS 100 3HG LYS 100 7.005 -12.430 -0.230 795 1HD LYS 100 2HD LYS 100 6.453 -13.765 2.229 796 2HD LYS 100 3HD LYS 100 4.958 -13.043 1.630 797 1HE LYS 100 2HE LYS 100 4.801 -14.525 -0.035 798 2HE LYS 100 3HE LYS 100 6.494 -14.317 -0.480 799 1HZ LYS 100 HZ1 LYS 100 6.892 -15.730 1.645 800 2HZ LYS 100 HZ2 LYS 100 5.288 -16.229 1.397 801 3HZ LYS 100 HZ3 LYS 100 6.456 -16.493 0.192 802 H THR 101 H THR 101 8.625 -10.710 -1.505 803 HA THR 101 HA THR 101 8.021 -13.062 -2.938 804 HB THR 101 HB THR 101 8.457 -11.212 -4.829 805 HG1 THR 101 HG1 THR 101 7.599 -9.293 -3.269 806 1HG2 THR 101 1HG2 THR 101 6.268 -12.320 -3.765 807 2HG2 THR 101 2HG2 THR 101 6.077 -10.680 -3.145 808 3HG2 THR 101 3HG2 THR 101 6.184 -10.958 -4.883 809 H LEU 102 H LEU 102 10.664 -10.726 -3.168 810 HA LEU 102 HA LEU 102 12.013 -11.851 -5.247 811 1HB LEU 102 2HB LEU 102 13.032 -10.213 -2.945 812 2HB LEU 102 3HB LEU 102 14.044 -10.653 -4.308 813 HG LEU 102 HG LEU 102 11.524 -8.993 -4.430 814 1HD1 LEU 102 1HD1 LEU 102 14.428 -8.361 -4.376 815 2HD1 LEU 102 2HD1 LEU 102 13.370 -7.374 -5.384 816 3HD1 LEU 102 3HD1 LEU 102 13.068 -7.504 -3.651 817 1HD2 LEU 102 1HD2 LEU 102 12.728 -10.578 -6.428 818 2HD2 LEU 102 2HD2 LEU 102 11.429 -9.399 -6.606 819 3HD2 LEU 102 3HD2 LEU 102 13.107 -8.896 -6.801 820 H ARG 103 H ARG 103 12.369 -12.650 -1.819 821 HA ARG 103 HA ARG 103 14.663 -14.289 -2.154 822 1HB ARG 103 2HB ARG 103 13.810 -15.299 0.093 823 2HB ARG 103 3HB ARG 103 14.402 -13.646 0.047 824 1HG ARG 103 2HG ARG 103 12.349 -12.751 0.416 825 2HG ARG 103 3HG ARG 103 11.503 -14.077 -0.380 826 1HD ARG 103 2HD ARG 103 12.968 -14.598 2.160 827 2HD ARG 103 3HD ARG 103 11.404 -13.787 2.221 828 HE ARG 103 HE ARG 103 10.490 -15.758 1.053 829 1HH1 ARG 103 1HH1 ARG 103 13.499 -16.053 2.825 830 2HH1 ARG 103 2HH1 ARG 103 13.348 -17.775 3.031 831 1HH2 ARG 103 1HH2 ARG 103 10.319 -18.020 1.290 832 2HH2 ARG 103 2HH2 ARG 103 11.554 -18.884 2.158 833 H GLU 104 H GLU 104 11.236 -14.882 -2.467 834 HA GLU 104 HA GLU 104 11.505 -17.751 -2.635 835 1HB GLU 104 2HB GLU 104 9.150 -16.144 -3.604 836 2HB GLU 104 3HB GLU 104 9.178 -17.817 -3.062 837 1HG GLU 104 2HG GLU 104 10.122 -16.115 -0.970 838 2HG GLU 104 3HG GLU 104 8.577 -15.519 -1.571 839 H TYR 105 H TYR 105 12.252 -15.229 -4.659 840 HA TYR 105 HA TYR 105 11.789 -16.764 -7.109 841 1HB TYR 105 HB2 TYR 105 12.937 -13.978 -6.790 842 2HB TYR 105 HB3 TYR 105 12.537 -14.766 -8.313 843 HD1 TYR 105 HD1 TYR 105 9.908 -16.025 -7.156 844 HD2 TYR 105 HD2 TYR 105 11.498 -12.078 -7.205 845 HE1 TYR 105 HE1 TYR 105 7.629 -15.112 -7.009 846 HE2 TYR 105 HE2 TYR 105 9.223 -11.158 -7.053 847 HH TYR 105 HH TYR 105 6.463 -13.192 -6.439 848 H GLY 106 H GLY 106 14.316 -15.484 -5.026 849 1HA GLY 106 1HA GLY 106 16.093 -17.281 -4.796 850 2HA GLY 106 2HA GLY 106 16.281 -17.092 -6.532 851 H PHE 107 H PHE 107 15.963 -14.761 -3.861 852 HA PHE 107 HA PHE 107 18.216 -13.282 -4.970 853 1HB PHE 107 2HB PHE 107 15.897 -12.624 -3.295 854 2HB PHE 107 3HB PHE 107 17.396 -11.858 -2.772 855 HD1 PHE 107 HD1 PHE 107 15.466 -12.480 -5.906 856 HD2 PHE 107 HD2 PHE 107 17.936 -9.831 -3.678 857 HE1 PHE 107 HE1 PHE 107 15.200 -10.772 -7.655 858 HE2 PHE 107 HE2 PHE 107 17.677 -8.117 -5.420 859 HZ PHE 107 HZ PHE 107 16.308 -8.583 -7.414 860 H LYS 108 H LYS 108 19.893 -12.483 -3.535 861 HA LYS 108 HA LYS 108 21.069 -14.605 -2.083 862 1HB LYS 108 2HB LYS 108 21.811 -11.925 -2.968 863 2HB LYS 108 3HB LYS 108 22.501 -12.340 -1.406 864 1HG LYS 108 2HG LYS 108 23.197 -14.541 -2.593 865 2HG LYS 108 3HG LYS 108 22.948 -13.605 -4.068 866 1HD LYS 108 2HD LYS 108 24.897 -12.570 -3.798 867 2HD LYS 108 3HD LYS 108 24.447 -12.062 -2.169 868 1HE LYS 108 2HE LYS 108 25.286 -14.881 -2.583 869 2HE LYS 108 3HE LYS 108 26.528 -13.631 -2.619 870 1HZ LYS 108 HZ1 LYS 108 25.698 -12.882 -0.428 871 2HZ LYS 108 HZ2 LYS 108 24.650 -14.217 -0.395 872 3HZ LYS 108 HZ3 LYS 108 26.328 -14.459 -0.410 873 H THR 109 H THR 109 20.428 -11.317 -0.901 874 HA THR 109 HA THR 109 19.460 -12.448 1.621 875 HB THR 109 HB THR 109 21.092 -10.051 2.018 876 HG1 THR 109 HG1 THR 109 23.070 -11.029 1.666 877 1HG2 THR 109 1HG2 THR 109 20.062 -12.035 3.575 878 2HG2 THR 109 2HG2 THR 109 21.742 -12.551 3.417 879 3HG2 THR 109 3HG2 THR 109 21.366 -10.952 4.063 880 H ILE 110 H ILE 110 17.511 -11.627 1.982 881 HA ILE 110 HA ILE 110 17.031 -8.847 1.158 882 HB ILE 110 HB ILE 110 15.793 -10.646 -0.145 883 1HG1 ILE 110 2HG1 ILE 110 13.615 -9.034 0.895 884 2HG1 ILE 110 3HG1 ILE 110 15.074 -8.081 0.644 885 1HG2 ILE 110 1HG2 ILE 110 14.938 -11.374 2.480 886 2HG2 ILE 110 2HG2 ILE 110 13.537 -10.908 1.515 887 3HG2 ILE 110 3HG2 ILE 110 14.620 -12.176 0.941 888 1HD1 ILE 110 1HD1 ILE 110 14.316 -9.921 -1.531 889 2HD1 ILE 110 2HD1 ILE 110 13.268 -8.526 -1.262 890 3HD1 ILE 110 3HD1 ILE 110 14.983 -8.288 -1.595 891 H TYR 111 H TYR 111 16.419 -7.451 2.666 892 HA TYR 111 HA TYR 111 15.583 -8.512 5.289 893 1HB TYR 111 HB2 TYR 111 16.871 -5.818 4.965 894 2HB TYR 111 HB3 TYR 111 16.809 -6.848 6.388 895 HD1 TYR 111 HD1 TYR 111 18.430 -6.435 3.075 896 HD2 TYR 111 HD2 TYR 111 18.578 -8.330 6.889 897 HE1 TYR 111 HE1 TYR 111 20.714 -7.207 2.591 898 HE2 TYR 111 HE2 TYR 111 20.865 -9.109 6.413 899 HH TYR 111 HH TYR 111 22.603 -9.000 5.019 900 H ASN 112 H ASN 112 14.025 -7.254 6.438 901 HA ASN 112 HA ASN 112 12.683 -5.182 4.831 902 1HB ASN 112 2HB ASN 112 11.378 -7.413 5.145 903 2HB ASN 112 3HB ASN 112 11.165 -6.872 6.806 904 1HD2 ASN 112 1HD2 ASN 112 9.011 -7.314 5.199 905 2HD2 ASN 112 2HD2 ASN 112 8.249 -5.806 4.806 906 H SER 113 H SER 113 11.923 -3.406 6.021 907 HA SER 113 HA SER 113 13.530 -2.951 8.380 908 1HB SER 113 2HB SER 113 11.675 -1.006 7.026 909 2HB SER 113 3HB SER 113 13.060 -0.640 8.060 910 HG SER 113 HG SER 113 13.276 -2.029 5.592 911 H GLU 114 H GLU 114 12.805 -3.439 10.312 912 HA GLU 114 HA GLU 114 10.083 -3.824 10.992 913 1HB GLU 114 2HB GLU 114 12.663 -3.885 12.379 914 2HB GLU 114 3HB GLU 114 11.341 -3.328 13.394 915 1HG GLU 114 2HG GLU 114 11.344 -5.899 11.832 916 2HG GLU 114 3HG GLU 114 11.744 -5.754 13.540 917 H GLY 115 H GLY 115 8.641 -2.536 12.083 918 1HA GLY 115 1HA GLY 115 7.932 -0.556 13.179 919 2HA GLY 115 2HA GLY 115 9.396 0.244 12.618 920 H GLY 116 H GLY 116 9.328 1.403 10.796 921 1HA GLY 116 1HA GLY 116 7.850 0.954 8.518 922 2HA GLY 116 2HA GLY 116 6.825 1.950 9.545 923 H MET 117 H MET 117 7.084 3.484 7.696 924 HA MET 117 HA MET 117 9.586 4.713 7.166 925 1HB MET 117 2HB MET 117 7.819 4.945 5.557 926 2HB MET 117 3HB MET 117 6.746 5.650 6.755 927 1HG MET 117 2HG MET 117 7.542 7.365 5.280 928 2HG MET 117 3HG MET 117 8.217 7.615 6.889 929 1HE MET 117 1HE MET 117 9.621 9.277 5.928 930 2HE MET 117 2HE MET 117 10.947 8.517 6.808 931 3HE MET 117 3HE MET 117 11.166 8.995 5.127 932 H ASP 118 H ASP 118 7.140 5.142 9.582 933 HA ASP 118 HA ASP 118 7.845 7.682 10.529 934 1HB ASP 118 2HB ASP 118 6.400 7.278 12.289 935 2HB ASP 118 3HB ASP 118 5.798 6.138 11.093 936 H LYS 119 H LYS 119 9.306 4.523 11.007 937 HA LYS 119 HA LYS 119 10.788 5.256 13.311 938 1HB LYS 119 2HB LYS 119 10.388 2.923 11.674 939 2HB LYS 119 3HB LYS 119 12.103 3.149 11.985 940 1HG LYS 119 2HG LYS 119 11.041 1.699 13.646 941 2HG LYS 119 3HG LYS 119 11.703 3.165 14.373 942 1HD LYS 119 2HD LYS 119 8.911 3.401 13.514 943 2HD LYS 119 3HD LYS 119 9.183 2.205 14.788 944 1HE LYS 119 2HE LYS 119 10.307 3.880 16.148 945 2HE LYS 119 3HE LYS 119 10.108 5.076 14.868 946 1HZ LYS 119 HZ1 LYS 119 7.661 4.726 15.112 947 2HZ LYS 119 HZ2 LYS 119 7.991 3.812 16.509 948 3HZ LYS 119 HZ3 LYS 119 8.422 5.454 16.447 949 H TRP 120 H TRP 120 11.366 5.435 9.849 950 HA TRP 120 HA TRP 120 14.151 5.850 9.936 951 1HB TRP 120 HB2 TRP 120 12.537 5.475 7.906 952 2HB TRP 120 HB3 TRP 120 12.419 7.230 7.916 953 HD1 TRP 120 HD1 TRP 120 14.398 8.578 6.930 954 HE1 TRP 120 HE1 TRP 120 16.603 7.961 5.766 955 HE3 TRP 120 HE3 TRP 120 14.431 3.549 7.867 956 HZ2 TRP 120 HZ2 TRP 120 18.135 5.650 5.278 957 HZ3 TRP 120 HZ3 TRP 120 16.309 2.204 6.999 958 HH2 TRP 120 HH2 TRP 120 18.118 3.239 5.731 959 H LEU 121 H LEU 121 11.470 8.219 9.741 960 HA LEU 121 HA LEU 121 13.066 10.498 10.068 961 1HB LEU 121 2HB LEU 121 10.186 9.828 10.223 962 2HB LEU 121 3HB LEU 121 10.679 11.279 11.070 963 HG LEU 121 HG LEU 121 10.843 10.714 8.113 964 1HD1 LEU 121 1HD1 LEU 121 9.122 12.235 9.877 965 2HD1 LEU 121 2HD1 LEU 121 9.805 13.225 8.588 966 3HD1 LEU 121 3HD1 LEU 121 8.894 11.769 8.192 967 1HD2 LEU 121 1HD2 LEU 121 12.595 12.367 9.743 968 2HD2 LEU 121 2HD2 LEU 121 12.735 11.897 8.049 969 3HD2 LEU 121 3HD2 LEU 121 11.755 13.294 8.499 970 H GLU 122 H GLU 122 11.346 8.455 12.395 971 HA GLU 122 HA GLU 122 11.743 10.079 14.654 972 1HB GLU 122 2HB GLU 122 10.554 7.574 14.075 973 2HB GLU 122 3HB GLU 122 11.643 7.338 15.435 974 1HG GLU 122 2HG GLU 122 10.400 9.611 16.186 975 2HG GLU 122 3HG GLU 122 9.119 8.818 15.267 976 H GLU 123 H GLU 123 13.689 7.419 13.346 977 HA GLU 123 HA GLU 123 15.472 7.339 15.563 978 1HB GLU 123 2HB GLU 123 14.937 5.657 13.512 979 2HB GLU 123 3HB GLU 123 16.433 6.379 12.939 980 1HG GLU 123 2HG GLU 123 17.113 4.477 14.079 981 2HG GLU 123 3HG GLU 123 17.393 5.788 15.223 982 H GLY 124 H GLY 124 15.068 9.640 13.225 983 1HA GLY 124 1HA GLY 124 16.297 11.547 12.798 984 2HA GLY 124 2HA GLY 124 17.520 10.957 13.914 985 H LEU 125 H LEU 125 16.409 9.011 11.275 986 HA LEU 125 HA LEU 125 19.082 8.829 10.243 987 1HB LEU 125 2HB LEU 125 16.473 7.595 9.359 988 2HB LEU 125 3HB LEU 125 18.019 7.246 8.610 989 HG LEU 125 HG LEU 125 17.378 6.720 11.513 990 1HD1 LEU 125 1HD1 LEU 125 16.791 5.207 9.104 991 2HD1 LEU 125 2HD1 LEU 125 17.745 4.296 10.278 992 3HD1 LEU 125 3HD1 LEU 125 16.197 5.000 10.750 993 1HD2 LEU 125 1HD2 LEU 125 19.829 7.006 10.341 994 2HD2 LEU 125 2HD2 LEU 125 19.496 6.065 11.793 995 3HD2 LEU 125 3HD2 LEU 125 19.558 5.268 10.221 996 HA PRO 126 HA PRO 126 19.106 11.784 6.996 997 1HB PRO 126 2HB PRO 126 19.908 10.261 4.838 998 2HB PRO 126 3HB PRO 126 21.001 10.886 6.080 999 1HG PRO 126 2HG PRO 126 19.705 8.181 5.882 1000 2HG PRO 126 3HG PRO 126 21.402 8.586 6.247 1001 1HD PRO 126 2HD PRO 126 19.765 7.962 8.224 1002 2HD PRO 126 3HD PRO 126 20.876 9.341 8.409 1003 H SER 127 H SER 127 17.294 12.613 6.148 1004 HA SER 127 HA SER 127 15.671 10.897 4.412 1005 1HB SER 127 2HB SER 127 14.014 12.859 5.671 1006 2HB SER 127 3HB SER 127 13.915 11.100 5.792 1007 HG SER 127 HG SER 127 15.751 11.440 7.385 1008 H LEU 128 H LEU 128 14.563 11.985 2.745 1009 HA LEU 128 HA LEU 128 15.735 14.580 2.024 1010 1HB LEU 128 2HB LEU 128 14.853 12.218 0.522 1011 2HB LEU 128 3HB LEU 128 14.285 13.733 -0.153 1012 HG LEU 128 HG LEU 128 17.180 13.442 0.523 1013 1HD1 LEU 128 1HD1 LEU 128 15.785 11.741 -1.306 1014 2HD1 LEU 128 2HD1 LEU 128 16.873 12.806 -2.196 1015 3HD1 LEU 128 3HD1 LEU 128 17.503 11.783 -0.907 1016 1HD2 LEU 128 1HD2 LEU 128 16.204 15.613 -0.179 1017 2HD2 LEU 128 2HD2 LEU 128 17.457 15.020 -1.270 1018 3HD2 LEU 128 3HD2 LEU 128 15.758 14.875 -1.717 1019 H ASP 129 H ASP 129 14.519 16.180 2.772 1020 HA ASP 129 HA ASP 129 11.640 16.161 2.230 1021 1HB ASP 129 2HB ASP 129 11.259 15.561 4.379 1022 2HB ASP 129 3HB ASP 129 12.900 15.946 4.878 1023 H ARG 130 H ARG 130 10.793 18.131 1.843 1024 HA ARG 130 HA ARG 130 12.656 20.318 1.465 1025 1HB ARG 130 2HB ARG 130 10.846 19.699 -0.200 1026 2HB ARG 130 3HB ARG 130 9.680 20.329 0.956 1027 1HG ARG 130 2HG ARG 130 9.992 22.374 0.186 1028 2HG ARG 130 3HG ARG 130 11.710 22.281 0.581 1029 1HD ARG 130 2HD ARG 130 12.089 21.134 -1.584 1030 2HD ARG 130 3HD ARG 130 10.388 21.381 -1.976 1031 HE ARG 130 HE ARG 130 12.486 23.409 -1.881 1032 1HH1 ARG 130 1HH1 ARG 130 9.094 22.641 -2.268 1033 2HH1 ARG 130 2HH1 ARG 130 8.686 24.170 -2.985 1034 1HH2 ARG 130 1HH2 ARG 130 11.964 25.428 -2.840 1035 2HH2 ARG 130 2HH2 ARG 130 10.324 25.747 -3.320 1036 H SER 131 H SER 131 13.182 20.838 3.582 1037 HA SER 131 HA SER 131 11.764 21.087 5.820 1038 1HB SER 131 2HB SER 131 13.645 23.317 5.118 1039 2HB SER 131 3HB SER 131 13.447 22.473 6.654 1040 HG SER 131 HG SER 131 14.490 20.699 5.820 1041 H HIS 132 H HIS 132 9.878 21.918 6.262 1042 HA HIS 132 HA HIS 132 8.750 24.078 4.739 1043 1HB HIS 132 2HB HIS 132 7.648 22.763 7.233 1044 2HB HIS 132 3HB HIS 132 6.749 23.731 6.075 1045 HD1 HIS 132 HD1 HIS 132 6.808 20.449 7.016 1046 HD2 HIS 132 HD2 HIS 132 7.373 22.259 3.309 1047 HE1 HIS 132 HE1 HIS 132 6.330 18.666 5.307 1048 HE2 HIS 132 HE2 HIS 132 6.775 19.750 3.074 1049 H HIS 133 H HIS 133 10.220 25.806 5.242 1050 HA HIS 133 HA HIS 133 9.933 26.828 7.990 1051 1HB HIS 133 2HB HIS 133 12.211 26.674 6.196 1052 2HB HIS 133 3HB HIS 133 11.953 28.312 6.786 1053 HD1 HIS 133 HD1 HIS 133 11.428 28.224 9.605 1054 HD2 HIS 133 HD2 HIS 133 13.843 25.318 7.847 1055 HE1 HIS 133 HE1 HIS 133 12.781 27.231 11.481 1056 HE2 HIS 133 HE2 HIS 133 14.116 25.369 10.418 1057 H HIS 134 H HIS 134 8.979 27.338 4.798 1058 HA HIS 134 HA HIS 134 8.440 30.184 5.307 1059 1HB HIS 134 2HB HIS 134 9.323 28.937 3.010 1060 2HB HIS 134 3HB HIS 134 7.599 29.135 2.707 1061 HD1 HIS 134 HD1 HIS 134 10.769 30.973 2.729 1062 HD2 HIS 134 HD2 HIS 134 6.717 31.894 2.865 1063 HE1 HIS 134 HE1 HIS 134 10.609 33.418 2.167 1064 HE2 HIS 134 HE2 HIS 134 8.172 33.995 2.465 1065 H HIS 135 H HIS 135 7.098 27.365 5.968 1066 HA HIS 135 HA HIS 135 4.351 27.949 5.237 1067 1HB HIS 135 2HB HIS 135 5.046 25.631 5.180 1068 2HB HIS 135 3HB HIS 135 5.637 25.717 6.830 1069 HD1 HIS 135 HD1 HIS 135 2.200 26.941 5.773 1070 HD2 HIS 135 HD2 HIS 135 3.974 23.828 7.881 1071 HE1 HIS 135 HE1 HIS 135 0.308 25.683 6.847 1072 HE2 HIS 135 HE2 HIS 135 1.393 23.717 7.992 1073 H HIS 136 H HIS 136 4.850 30.085 6.438 1074 HA HIS 136 HA HIS 136 4.774 29.940 9.312 1075 1HB HIS 136 2HB HIS 136 4.638 32.428 9.205 1076 2HB HIS 136 3HB HIS 136 6.023 31.750 8.367 1077 HD1 HIS 136 HD1 HIS 136 2.866 31.584 6.426 1078 HD2 HIS 136 HD2 HIS 136 6.032 34.231 6.936 1079 HE1 HIS 136 HE1 HIS 136 2.690 33.221 4.539 1080 HE2 HIS 136 HE2 HIS 136 4.494 34.919 4.973 1081 H HIS 137 H HIS 137 2.475 29.445 7.084 1082 HA HIS 137 HA HIS 137 0.357 29.612 8.951 1083 1HB HIS 137 2HB HIS 137 0.816 31.972 7.413 1084 2HB HIS 137 3HB HIS 137 -0.651 31.212 6.807 1085 HD1 HIS 137 HD1 HIS 137 0.824 32.596 10.000 1086 HD2 HIS 137 HD2 HIS 137 -2.865 31.529 8.399 1087 HE1 HIS 137 HE1 HIS 137 -0.890 33.393 11.657 1088 HE2 HIS 137 HE2 HIS 137 -3.117 32.690 10.698 1089 1H ALA 1 H1 ALA 1 23.827 -11.577 -14.964 1090 2H ALA 1 H2 ALA 1 22.977 -10.997 -16.313 1091 3H ALA 1 H3 ALA 1 24.603 -10.573 -16.092 1092 HA ALA 1 HA ALA 1 22.972 -9.888 -13.844 1093 1HB ALA 1 1HB ALA 1 25.373 -9.150 -14.646 1094 2HB ALA 1 2HB ALA 1 24.455 -7.910 -15.502 1095 3HB ALA 1 3HB ALA 1 24.330 -8.047 -13.748 1096 H ASP 2 H ASP 2 20.983 -10.494 -15.181 1097 HA ASP 2 HA ASP 2 19.606 -8.114 -15.964 1098 1HB ASP 2 2HB ASP 2 19.090 -8.969 -18.296 1099 2HB ASP 2 3HB ASP 2 20.734 -8.382 -18.067 1100 H MET 3 H MET 3 19.362 -10.246 -14.061 1101 HA MET 3 HA MET 3 17.293 -12.012 -15.024 1102 1HB MET 3 2HB MET 3 19.080 -11.947 -12.815 1103 2HB MET 3 3HB MET 3 17.442 -12.043 -12.182 1104 1HG MET 3 2HG MET 3 17.135 -14.137 -12.924 1105 2HG MET 3 3HG MET 3 18.017 -13.847 -14.421 1106 1HE MET 3 1HE MET 3 20.555 -13.360 -14.389 1107 2HE MET 3 2HE MET 3 20.971 -12.766 -12.782 1108 3HE MET 3 3HE MET 3 21.703 -14.254 -13.393 1109 H GLY 4 H GLY 4 17.249 -8.861 -14.248 1110 1HA GLY 4 1HA GLY 4 15.052 -8.504 -12.539 1111 2HA GLY 4 2HA GLY 4 15.570 -7.363 -13.769 1112 H GLU 5 H GLU 5 15.231 -9.232 -15.906 1113 HA GLU 5 HA GLU 5 12.403 -8.905 -16.411 1114 1HB GLU 5 2HB GLU 5 12.807 -9.647 -18.601 1115 2HB GLU 5 3HB GLU 5 14.250 -8.747 -18.164 1116 1HG GLU 5 2HG GLU 5 15.553 -10.649 -18.026 1117 2HG GLU 5 3HG GLU 5 14.160 -11.707 -17.800 1118 H LYS 6 H LYS 6 14.533 -11.459 -15.408 1119 HA LYS 6 HA LYS 6 12.820 -13.623 -15.955 1120 1HB LYS 6 2HB LYS 6 15.135 -13.406 -14.029 1121 2HB LYS 6 3HB LYS 6 14.330 -14.913 -14.449 1122 1HG LYS 6 2HG LYS 6 15.321 -13.269 -16.695 1123 2HG LYS 6 3HG LYS 6 16.533 -14.044 -15.672 1124 1HD LYS 6 2HD LYS 6 15.578 -16.207 -16.083 1125 2HD LYS 6 3HD LYS 6 14.213 -15.490 -16.942 1126 1HE LYS 6 2HE LYS 6 15.452 -15.031 -18.812 1127 2HE LYS 6 3HE LYS 6 16.963 -14.907 -17.912 1128 1HZ LYS 6 HZ1 LYS 6 15.960 -17.529 -17.704 1129 2HZ LYS 6 HZ2 LYS 6 16.008 -17.089 -19.342 1130 3HZ LYS 6 HZ3 LYS 6 17.416 -17.001 -18.394 1131 H PHE 7 H PHE 7 13.584 -12.122 -12.754 1132 HA PHE 7 HA PHE 7 11.548 -13.692 -11.523 1133 1HB PHE 7 2HB PHE 7 11.902 -12.129 -9.528 1134 2HB PHE 7 3HB PHE 7 13.241 -13.147 -10.024 1135 HD1 PHE 7 HD1 PHE 7 11.904 -9.710 -10.588 1136 HD2 PHE 7 HD2 PHE 7 15.322 -12.203 -10.148 1137 HE1 PHE 7 HE1 PHE 7 13.353 -7.723 -10.623 1138 HE2 PHE 7 HE2 PHE 7 16.778 -10.219 -10.184 1139 HZ PHE 7 HZ PHE 7 15.791 -7.973 -10.419 1140 H ASP 8 H ASP 8 11.598 -10.614 -13.013 1141 HA ASP 8 HA ASP 8 9.391 -9.346 -11.921 1142 1HB ASP 8 2HB ASP 8 10.426 -7.977 -13.443 1143 2HB ASP 8 3HB ASP 8 10.675 -9.274 -14.605 1144 H ALA 9 H ALA 9 9.458 -11.806 -14.486 1145 HA ALA 9 HA ALA 9 6.710 -11.857 -15.061 1146 1HB ALA 9 1HB ALA 9 9.029 -13.334 -15.787 1147 2HB ALA 9 2HB ALA 9 7.766 -14.475 -15.321 1148 3HB ALA 9 3HB ALA 9 7.456 -13.285 -16.586 1149 H THR 10 H THR 10 8.645 -13.557 -12.638 1150 HA THR 10 HA THR 10 6.562 -15.190 -11.625 1151 HB THR 10 HB THR 10 8.664 -14.355 -9.733 1152 HG1 THR 10 HG1 THR 10 10.295 -15.463 -10.970 1153 1HG2 THR 10 1HG2 THR 10 7.421 -16.882 -10.744 1154 2HG2 THR 10 2HG2 THR 10 8.966 -16.948 -9.894 1155 3HG2 THR 10 3HG2 THR 10 7.546 -16.280 -9.089 1156 H PHE 11 H PHE 11 7.864 -12.028 -10.659 1157 HA PHE 11 HA PHE 11 6.271 -11.533 -8.419 1158 1HB PHE 11 2HB PHE 11 8.181 -10.138 -9.824 1159 2HB PHE 11 3HB PHE 11 6.729 -9.199 -10.150 1160 HD1 PHE 11 HD1 PHE 11 5.267 -9.421 -7.614 1161 HD2 PHE 11 HD2 PHE 11 9.424 -8.875 -8.352 1162 HE1 PHE 11 HE1 PHE 11 5.510 -8.316 -5.428 1163 HE2 PHE 11 HE2 PHE 11 9.672 -7.778 -6.170 1164 HZ PHE 11 HZ PHE 11 7.719 -7.496 -4.707 1165 H LYS 12 H LYS 12 5.710 -10.823 -11.829 1166 HA LYS 12 HA LYS 12 3.186 -9.611 -11.566 1167 1HB LYS 12 2HB LYS 12 5.004 -10.129 -13.580 1168 2HB LYS 12 3HB LYS 12 3.622 -11.106 -14.025 1169 1HG LYS 12 2HG LYS 12 2.986 -9.204 -15.059 1170 2HG LYS 12 3HG LYS 12 2.354 -8.822 -13.456 1171 1HD LYS 12 2HD LYS 12 3.584 -6.964 -13.576 1172 2HD LYS 12 3HD LYS 12 4.978 -8.011 -13.300 1173 1HE LYS 12 2HE LYS 12 4.995 -8.340 -15.838 1174 2HE LYS 12 3HE LYS 12 3.908 -6.954 -15.902 1175 1HZ LYS 12 HZ1 LYS 12 6.633 -6.972 -14.704 1176 2HZ LYS 12 HZ2 LYS 12 6.209 -6.291 -16.201 1177 3HZ LYS 12 HZ3 LYS 12 5.585 -5.641 -14.772 1178 H ALA 13 H ALA 13 4.217 -12.911 -11.625 1179 HA ALA 13 HA ALA 13 1.657 -14.049 -12.257 1180 1HB ALA 13 1HB ALA 13 3.815 -15.192 -12.706 1181 2HB ALA 13 2HB ALA 13 4.030 -15.388 -10.966 1182 3HB ALA 13 3HB ALA 13 2.675 -16.172 -11.784 1183 H GLN 14 H GLN 14 3.517 -13.471 -9.313 1184 HA GLN 14 HA GLN 14 1.654 -14.753 -7.574 1185 1HB GLN 14 2HB GLN 14 3.738 -12.668 -6.908 1186 2HB GLN 14 3HB GLN 14 2.928 -13.722 -5.763 1187 1HG GLN 14 2HG GLN 14 4.309 -15.100 -7.951 1188 2HG GLN 14 3HG GLN 14 5.352 -14.203 -6.851 1189 1HE2 GLN 14 1HE2 GLN 14 4.673 -17.148 -7.394 1190 2HE2 GLN 14 2HE2 GLN 14 4.429 -17.798 -5.806 1191 H VAL 15 H VAL 15 2.355 -11.351 -8.280 1192 HA VAL 15 HA VAL 15 0.342 -10.296 -6.635 1193 HB VAL 15 HB VAL 15 2.206 -9.256 -8.629 1194 1HG1 VAL 15 1HG1 VAL 15 -0.493 -7.960 -8.371 1195 2HG1 VAL 15 2HG1 VAL 15 0.949 -7.078 -8.876 1196 3HG1 VAL 15 3HG1 VAL 15 0.360 -8.433 -9.840 1197 1HG2 VAL 15 1HG2 VAL 15 1.047 -8.326 -6.017 1198 2HG2 VAL 15 2HG2 VAL 15 2.686 -8.881 -6.362 1199 3HG2 VAL 15 3HG2 VAL 15 2.138 -7.320 -6.971 1200 H LYS 16 H LYS 16 0.247 -11.462 -9.947 1201 HA LYS 16 HA LYS 16 -2.221 -10.387 -10.744 1202 1HB LYS 16 2HB LYS 16 -0.334 -12.161 -11.816 1203 2HB LYS 16 3HB LYS 16 -1.846 -13.061 -11.767 1204 1HG LYS 16 2HG LYS 16 -2.917 -11.091 -12.918 1205 2HG LYS 16 3HG LYS 16 -1.284 -10.466 -13.168 1206 1HD LYS 16 2HD LYS 16 -1.446 -13.237 -13.940 1207 2HD LYS 16 3HD LYS 16 -2.670 -12.282 -14.780 1208 1HE LYS 16 2HE LYS 16 -0.081 -10.961 -14.673 1209 2HE LYS 16 3HE LYS 16 -0.014 -12.521 -15.490 1210 1HZ LYS 16 HZ1 LYS 16 -2.227 -10.782 -16.223 1211 2HZ LYS 16 HZ2 LYS 16 -0.686 -10.263 -16.706 1212 3HZ LYS 16 HZ3 LYS 16 -1.262 -11.783 -17.195 1213 H ALA 17 H ALA 17 -1.441 -13.317 -8.933 1214 HA ALA 17 HA ALA 17 -3.992 -14.489 -8.963 1215 1HB ALA 17 1HB ALA 17 -1.923 -15.659 -8.291 1216 2HB ALA 17 2HB ALA 17 -1.911 -14.729 -6.793 1217 3HB ALA 17 3HB ALA 17 -3.231 -15.851 -7.125 1218 H ALA 18 H ALA 18 -2.697 -11.868 -7.121 1219 HA ALA 18 HA ALA 18 -4.652 -11.898 -5.046 1220 1HB ALA 18 1HB ALA 18 -2.445 -10.837 -4.794 1221 2HB ALA 18 2HB ALA 18 -2.918 -9.613 -5.972 1222 3HB ALA 18 3HB ALA 18 -3.771 -9.732 -4.435 1223 H LYS 19 H LYS 19 -4.483 -10.493 -8.262 1224 HA LYS 19 HA LYS 19 -6.878 -8.909 -7.890 1225 1HB LYS 19 2HB LYS 19 -6.153 -7.825 -9.705 1226 2HB LYS 19 3HB LYS 19 -4.730 -8.853 -9.689 1227 1HG LYS 19 2HG LYS 19 -6.014 -10.477 -11.114 1228 2HG LYS 19 3HG LYS 19 -7.263 -9.239 -11.262 1229 1HD LYS 19 2HD LYS 19 -4.477 -8.424 -11.857 1230 2HD LYS 19 3HD LYS 19 -5.261 -9.498 -13.015 1231 1HE LYS 19 2HE LYS 19 -5.999 -6.712 -12.212 1232 2HE LYS 19 3HE LYS 19 -5.779 -7.386 -13.825 1233 1HZ LYS 19 HZ1 LYS 19 -7.824 -8.716 -13.426 1234 2HZ LYS 19 HZ2 LYS 19 -8.055 -7.857 -11.984 1235 3HZ LYS 19 HZ3 LYS 19 -8.091 -7.038 -13.463 1236 H ALA 20 H ALA 20 -5.976 -12.064 -8.846 1237 HA ALA 20 HA ALA 20 -8.369 -12.599 -10.375 1238 1HB ALA 20 1HB ALA 20 -5.858 -13.631 -10.435 1239 2HB ALA 20 2HB ALA 20 -6.744 -14.908 -9.599 1240 3HB ALA 20 3HB ALA 20 -7.271 -14.367 -11.194 1241 H ASP 21 H ASP 21 -7.513 -12.802 -7.109 1242 HA ASP 21 HA ASP 21 -8.881 -15.130 -6.370 1243 1HB ASP 21 2HB ASP 21 -7.075 -13.883 -5.085 1244 2HB ASP 21 3HB ASP 21 -8.355 -12.809 -4.530 1245 H MET 22 H MET 22 -10.117 -11.913 -6.890 1246 HA MET 22 HA MET 22 -12.737 -12.872 -5.995 1247 1HB MET 22 2HB MET 22 -13.202 -10.987 -4.662 1248 2HB MET 22 3HB MET 22 -11.586 -11.495 -4.197 1249 1HG MET 22 2HG MET 22 -11.094 -9.683 -6.191 1250 2HG MET 22 3HG MET 22 -12.502 -9.000 -5.380 1251 1HE MET 22 1HE MET 22 -9.316 -10.997 -4.400 1252 2HE MET 22 2HE MET 22 -8.650 -9.577 -5.206 1253 3HE MET 22 3HE MET 22 -8.397 -9.808 -3.476 1254 H VAL 23 H VAL 23 -14.477 -11.191 -6.562 1255 HA VAL 23 HA VAL 23 -14.520 -10.950 -9.370 1256 HB VAL 23 HB VAL 23 -16.371 -9.576 -7.417 1257 1HG1 VAL 23 1HG1 VAL 23 -16.611 -10.338 -10.318 1258 2HG1 VAL 23 2HG1 VAL 23 -18.006 -9.940 -9.313 1259 3HG1 VAL 23 3HG1 VAL 23 -16.749 -8.736 -9.594 1260 1HG2 VAL 23 1HG2 VAL 23 -15.969 -12.386 -7.925 1261 2HG2 VAL 23 2HG2 VAL 23 -16.999 -11.593 -6.735 1262 3HG2 VAL 23 3HG2 VAL 23 -17.603 -11.887 -8.365 1263 H MET 24 H MET 24 -13.322 -9.554 -10.442 1264 HA MET 24 HA MET 24 -12.645 -6.963 -9.346 1265 1HB MET 24 2HB MET 24 -11.971 -8.257 -11.993 1266 2HB MET 24 3HB MET 24 -11.409 -6.665 -11.500 1267 1HG MET 24 2HG MET 24 -10.810 -8.503 -9.425 1268 2HG MET 24 3HG MET 24 -10.264 -9.190 -10.952 1269 1HE MET 24 1HE MET 24 -10.613 -6.173 -8.914 1270 2HE MET 24 2HE MET 24 -8.946 -5.949 -8.385 1271 3HE MET 24 3HE MET 24 -9.586 -4.985 -9.717 1272 H LEU 25 H LEU 25 -13.832 -5.236 -9.578 1273 HA LEU 25 HA LEU 25 -15.634 -5.001 -11.891 1274 1HB LEU 25 2HB LEU 25 -16.167 -4.717 -8.973 1275 2HB LEU 25 3HB LEU 25 -16.994 -3.624 -10.063 1276 HG LEU 25 HG LEU 25 -17.251 -6.605 -9.852 1277 1HD1 LEU 25 1HD1 LEU 25 -19.083 -4.241 -9.630 1278 2HD1 LEU 25 2HD1 LEU 25 -19.694 -5.878 -9.878 1279 3HD1 LEU 25 3HD1 LEU 25 -18.748 -5.498 -8.438 1280 1HD2 LEU 25 1HD2 LEU 25 -17.183 -5.192 -12.278 1281 2HD2 LEU 25 2HD2 LEU 25 -17.731 -6.845 -12.005 1282 3HD2 LEU 25 3HD2 LEU 25 -18.883 -5.512 -11.938 1283 H SER 26 H SER 26 -15.778 -2.991 -12.778 1284 HA SER 26 HA SER 26 -13.689 -1.126 -12.187 1285 1HB SER 26 2HB SER 26 -15.860 -0.173 -13.917 1286 2HB SER 26 3HB SER 26 -14.136 -0.343 -14.261 1287 HG SER 26 HG SER 26 -15.692 -1.746 -15.454 1288 HA PRO 27 HA PRO 27 -15.336 1.376 -9.017 1289 1HB PRO 27 2HB PRO 27 -15.061 3.871 -10.380 1290 2HB PRO 27 3HB PRO 27 -13.968 3.150 -9.199 1291 1HG PRO 27 2HG PRO 27 -13.845 3.105 -12.161 1292 2HG PRO 27 3HG PRO 27 -12.531 3.067 -10.971 1293 1HD PRO 27 2HD PRO 27 -13.193 0.871 -12.310 1294 2HD PRO 27 3HD PRO 27 -12.781 0.779 -10.587 1295 H LYS 28 H LYS 28 -16.638 1.941 -12.272 1296 HA LYS 28 HA LYS 28 -18.930 3.383 -11.341 1297 1HB LYS 28 2HB LYS 28 -19.589 2.411 -13.828 1298 2HB LYS 28 3HB LYS 28 -18.790 3.943 -13.508 1299 1HG LYS 28 2HG LYS 28 -16.661 3.049 -13.982 1300 2HG LYS 28 3HG LYS 28 -17.269 1.392 -13.952 1301 1HD LYS 28 2HD LYS 28 -18.715 2.006 -15.915 1302 2HD LYS 28 3HD LYS 28 -17.821 3.526 -16.003 1303 1HE LYS 28 2HE LYS 28 -16.009 1.299 -15.816 1304 2HE LYS 28 3HE LYS 28 -17.128 1.069 -17.159 1305 1HZ LYS 28 HZ1 LYS 28 -16.535 3.397 -17.840 1306 2HZ LYS 28 HZ2 LYS 28 -15.279 3.337 -16.701 1307 3HZ LYS 28 HZ3 LYS 28 -15.295 2.247 -18.003 1308 H ASP 29 H ASP 29 -18.262 0.063 -12.384 1309 HA ASP 29 HA ASP 29 -20.915 -0.912 -12.040 1310 1HB ASP 29 2HB ASP 29 -18.460 -1.952 -12.985 1311 2HB ASP 29 3HB ASP 29 -18.949 -2.983 -11.640 1312 H ALA 30 H ALA 30 -18.183 -0.455 -9.979 1313 HA ALA 30 HA ALA 30 -19.171 -2.056 -7.811 1314 1HB ALA 30 1HB ALA 30 -16.737 -1.462 -8.210 1315 2HB ALA 30 2HB ALA 30 -17.125 0.128 -7.549 1316 3HB ALA 30 3HB ALA 30 -17.332 -1.316 -6.555 1317 H TYR 31 H TYR 31 -19.161 1.393 -8.636 1318 HA TYR 31 HA TYR 31 -20.376 2.310 -6.255 1319 1HB TYR 31 HB2 TYR 31 -19.243 3.769 -7.913 1320 2HB TYR 31 HB3 TYR 31 -20.581 3.522 -9.012 1321 HD1 TYR 31 HD1 TYR 31 -20.175 4.411 -5.405 1322 HD2 TYR 31 HD2 TYR 31 -22.087 5.274 -9.109 1323 HE1 TYR 31 HE1 TYR 31 -21.427 6.229 -4.332 1324 HE2 TYR 31 HE2 TYR 31 -23.348 7.093 -8.038 1325 HH TYR 31 HH TYR 31 -23.651 8.295 -6.172 1326 H LYS 32 H LYS 32 -21.624 1.240 -9.328 1327 HA LYS 32 HA LYS 32 -24.264 1.963 -9.184 1328 1HB LYS 32 2HB LYS 32 -23.120 0.800 -11.097 1329 2HB LYS 32 3HB LYS 32 -23.319 -0.712 -10.222 1330 1HG LYS 32 2HG LYS 32 -25.175 -0.836 -11.500 1331 2HG LYS 32 3HG LYS 32 -25.853 0.130 -10.187 1332 1HD LYS 32 2HD LYS 32 -24.722 2.021 -11.835 1333 2HD LYS 32 3HD LYS 32 -25.364 0.834 -12.971 1334 1HE LYS 32 2HE LYS 32 -27.324 1.868 -12.711 1335 2HE LYS 32 3HE LYS 32 -27.389 1.092 -11.128 1336 1HZ LYS 32 HZ1 LYS 32 -25.842 3.500 -11.111 1337 2HZ LYS 32 HZ2 LYS 32 -27.439 3.771 -11.607 1338 3HZ LYS 32 HZ3 LYS 32 -27.135 3.035 -10.108 1339 H LEU 33 H LEU 33 -22.925 -1.127 -7.995 1340 HA LEU 33 HA LEU 33 -25.394 -1.844 -6.719 1341 1HB LEU 33 2HB LEU 33 -23.794 -3.577 -5.585 1342 2HB LEU 33 3HB LEU 33 -24.256 -3.747 -7.265 1343 HG LEU 33 HG LEU 33 -21.968 -2.291 -7.508 1344 1HD1 LEU 33 1HD1 LEU 33 -21.880 -2.925 -4.871 1345 2HD1 LEU 33 2HD1 LEU 33 -21.025 -4.299 -5.575 1346 3HD1 LEU 33 3HD1 LEU 33 -20.454 -2.655 -5.879 1347 1HD2 LEU 33 1HD2 LEU 33 -22.297 -5.288 -7.401 1348 2HD2 LEU 33 2HD2 LEU 33 -22.525 -4.248 -8.807 1349 3HD2 LEU 33 3HD2 LEU 33 -20.918 -4.450 -8.109 1350 H LEU 34 H LEU 34 -22.536 -0.134 -5.804 1351 HA LEU 34 HA LEU 34 -22.636 -0.424 -3.015 1352 1HB LEU 34 2HB LEU 34 -21.307 1.293 -4.961 1353 2HB LEU 34 3HB LEU 34 -21.642 2.114 -3.449 1354 HG LEU 34 HG LEU 34 -20.186 -0.513 -3.604 1355 1HD1 LEU 34 1HD1 LEU 34 -19.170 1.622 -4.767 1356 2HD1 LEU 34 2HD1 LEU 34 -18.791 2.068 -3.103 1357 3HD1 LEU 34 3HD1 LEU 34 -18.171 0.560 -3.775 1358 1HD2 LEU 34 1HD2 LEU 34 -21.193 1.163 -1.485 1359 2HD2 LEU 34 2HD2 LEU 34 -20.487 -0.450 -1.401 1360 3HD2 LEU 34 3HD2 LEU 34 -19.445 0.970 -1.367 1361 H GLN 35 H GLN 35 -23.704 2.313 -4.999 1362 HA GLN 35 HA GLN 35 -24.878 3.604 -2.755 1363 1HB GLN 35 2HB GLN 35 -25.240 5.417 -4.173 1364 2HB GLN 35 3HB GLN 35 -23.783 4.659 -4.797 1365 1HG GLN 35 2HG GLN 35 -24.715 4.512 -6.786 1366 2HG GLN 35 3HG GLN 35 -25.987 3.489 -6.118 1367 1HE2 GLN 35 1HE2 GLN 35 -27.491 4.399 -7.543 1368 2HE2 GLN 35 2HE2 GLN 35 -28.132 5.992 -7.271 1369 H GLU 36 H GLU 36 -26.071 1.320 -4.994 1370 HA GLU 36 HA GLU 36 -28.824 2.169 -4.544 1371 1HB GLU 36 2HB GLU 36 -27.434 0.703 -6.643 1372 2HB GLU 36 3HB GLU 36 -28.949 -0.057 -6.168 1373 1HG GLU 36 2HG GLU 36 -30.184 1.538 -7.117 1374 2HG GLU 36 3HG GLU 36 -29.153 2.831 -6.504 1375 H ASN 37 H ASN 37 -26.627 0.070 -3.156 1376 HA ASN 37 HA ASN 37 -28.832 -1.336 -1.826 1377 1HB ASN 37 2HB ASN 37 -26.255 -2.694 -2.648 1378 2HB ASN 37 3HB ASN 37 -27.603 -3.436 -1.792 1379 1HD2 ASN 37 1HD2 ASN 37 -26.347 -2.435 -4.818 1380 2HD2 ASN 37 2HD2 ASN 37 -27.619 -3.066 -5.809 1381 HA PRO 38 HA PRO 38 -26.521 0.723 1.433 1382 1HB PRO 38 2HB PRO 38 -28.729 -0.343 3.084 1383 2HB PRO 38 3HB PRO 38 -28.177 1.322 2.883 1384 1HG PRO 38 2HG PRO 38 -30.467 0.488 1.792 1385 2HG PRO 38 3HG PRO 38 -29.412 1.637 0.948 1386 1HD PRO 38 2HD PRO 38 -29.744 -1.307 0.510 1387 2HD PRO 38 3HD PRO 38 -29.584 -0.003 -0.686 1388 H ASP 39 H ASP 39 -26.999 -2.570 0.979 1389 HA ASP 39 HA ASP 39 -25.801 -3.330 3.527 1390 1HB ASP 39 2HB ASP 39 -27.571 -4.615 1.745 1391 2HB ASP 39 3HB ASP 39 -26.063 -5.519 1.663 1392 H ILE 40 H ILE 40 -25.030 -2.825 0.205 1393 HA ILE 40 HA ILE 40 -22.494 -4.208 0.339 1394 HB ILE 40 HB ILE 40 -23.445 -2.325 -1.824 1395 1HG1 ILE 40 2HG1 ILE 40 -23.896 -5.290 -1.443 1396 2HG1 ILE 40 3HG1 ILE 40 -25.110 -4.034 -1.651 1397 1HG2 ILE 40 1HG2 ILE 40 -20.972 -3.061 -1.570 1398 2HG2 ILE 40 2HG2 ILE 40 -21.546 -4.619 -2.164 1399 3HG2 ILE 40 3HG2 ILE 40 -21.738 -3.173 -3.155 1400 1HD1 ILE 40 1HD1 ILE 40 -23.194 -4.342 -3.864 1401 2HD1 ILE 40 2HD1 ILE 40 -24.309 -5.682 -3.604 1402 3HD1 ILE 40 3HD1 ILE 40 -24.934 -4.057 -3.890 1403 H THR 41 H THR 41 -20.985 -3.350 1.543 1404 HA THR 41 HA THR 41 -20.729 -0.434 1.720 1405 HB THR 41 HB THR 41 -19.030 -2.176 3.408 1406 HG1 THR 41 HG1 THR 41 -21.560 -2.802 3.139 1407 1HG2 THR 41 1HG2 THR 41 -20.164 0.478 3.439 1408 2HG2 THR 41 2HG2 THR 41 -20.533 -0.379 4.935 1409 3HG2 THR 41 3HG2 THR 41 -18.859 -0.189 4.414 1410 H LEU 42 H LEU 42 -18.785 0.646 1.268 1411 HA LEU 42 HA LEU 42 -16.822 -0.929 -0.255 1412 1HB LEU 42 2HB LEU 42 -17.619 0.822 -1.632 1413 2HB LEU 42 3HB LEU 42 -17.582 1.984 -0.320 1414 HG LEU 42 HG LEU 42 -14.946 1.306 -0.523 1415 1HD1 LEU 42 1HD1 LEU 42 -16.270 0.685 -3.068 1416 2HD1 LEU 42 2HD1 LEU 42 -14.852 1.725 -3.193 1417 3HD1 LEU 42 3HD1 LEU 42 -14.718 0.141 -2.427 1418 1HD2 LEU 42 1HD2 LEU 42 -16.665 3.523 -1.227 1419 2HD2 LEU 42 2HD2 LEU 42 -15.046 3.530 -0.529 1420 3HD2 LEU 42 3HD2 LEU 42 -15.252 3.432 -2.279 1421 H ILE 43 H ILE 43 -14.869 -1.229 0.564 1422 HA ILE 43 HA ILE 43 -14.052 0.438 2.850 1423 HB ILE 43 HB ILE 43 -13.405 -2.424 2.173 1424 1HG1 ILE 43 2HG1 ILE 43 -13.788 -2.236 4.871 1425 2HG1 ILE 43 3HG1 ILE 43 -14.834 -0.946 4.282 1426 1HG2 ILE 43 1HG2 ILE 43 -11.790 -0.529 3.858 1427 2HG2 ILE 43 2HG2 ILE 43 -11.771 -2.270 4.140 1428 3HG2 ILE 43 3HG2 ILE 43 -11.238 -1.621 2.589 1429 1HD1 ILE 43 1HD1 ILE 43 -15.831 -2.656 2.715 1430 2HD1 ILE 43 2HD1 ILE 43 -14.960 -3.874 3.645 1431 3HD1 ILE 43 3HD1 ILE 43 -16.175 -2.866 4.430 1432 H ASP 44 H ASP 44 -12.575 1.869 2.391 1433 HA ASP 44 HA ASP 44 -10.859 1.410 0.053 1434 1HB ASP 44 2HB ASP 44 -11.927 3.350 -0.518 1435 2HB ASP 44 3HB ASP 44 -12.203 3.817 1.148 1436 H VAL 45 H VAL 45 -8.758 1.477 0.234 1437 HA VAL 45 HA VAL 45 -7.559 2.119 2.848 1438 HB VAL 45 HB VAL 45 -5.866 0.281 1.468 1439 1HG1 VAL 45 1HG1 VAL 45 -6.346 0.848 3.995 1440 2HG1 VAL 45 2HG1 VAL 45 -7.436 -0.534 3.856 1441 3HG1 VAL 45 3HG1 VAL 45 -5.716 -0.726 3.509 1442 1HG2 VAL 45 1HG2 VAL 45 -8.550 -0.273 0.875 1443 2HG2 VAL 45 2HG2 VAL 45 -7.150 -1.317 0.618 1444 3HG2 VAL 45 3HG2 VAL 45 -8.071 -1.430 2.120 1445 H ARG 46 H ARG 46 -6.760 4.084 2.364 1446 HA ARG 46 HA ARG 46 -4.688 4.287 0.333 1447 1HB ARG 46 2HB ARG 46 -7.007 4.771 -0.680 1448 2HB ARG 46 3HB ARG 46 -6.996 6.229 0.300 1449 1HG ARG 46 2HG ARG 46 -6.295 6.731 -1.946 1450 2HG ARG 46 3HG ARG 46 -4.943 6.956 -0.834 1451 1HD ARG 46 2HD ARG 46 -4.310 4.538 -1.463 1452 2HD ARG 46 3HD ARG 46 -5.403 4.764 -2.828 1453 HE ARG 46 HE ARG 46 -3.958 6.798 -3.332 1454 1HH1 ARG 46 1HH1 ARG 46 -2.691 3.890 -1.803 1455 2HH1 ARG 46 2HH1 ARG 46 -1.065 4.181 -2.360 1456 1HH2 ARG 46 1HH2 ARG 46 -1.848 7.133 -4.039 1457 2HH2 ARG 46 2HH2 ARG 46 -0.598 5.997 -3.610 1458 H ASP 47 H ASP 47 -3.373 6.187 0.590 1459 HA ASP 47 HA ASP 47 -3.095 6.991 3.303 1460 1HB ASP 47 2HB ASP 47 -1.225 6.796 1.582 1461 2HB ASP 47 3HB ASP 47 -1.791 8.336 0.937 1462 HA PRO 48 HA PRO 48 -6.034 10.206 3.471 1463 1HB PRO 48 2HB PRO 48 -4.899 11.675 5.508 1464 2HB PRO 48 3HB PRO 48 -5.877 10.222 5.730 1465 1HG PRO 48 2HG PRO 48 -2.902 10.516 5.697 1466 2HG PRO 48 3HG PRO 48 -3.920 9.532 6.766 1467 1HD PRO 48 2HD PRO 48 -2.589 8.439 4.718 1468 2HD PRO 48 3HD PRO 48 -4.212 7.875 5.170 1469 H ASP 49 H ASP 49 -2.668 10.946 2.819 1470 HA ASP 49 HA ASP 49 -3.186 13.755 2.480 1471 1HB ASP 49 2HB ASP 49 -0.891 12.344 2.872 1472 2HB ASP 49 3HB ASP 49 -0.792 12.725 1.154 1473 H GLU 50 H GLU 50 -2.888 10.988 0.277 1474 HA GLU 50 HA GLU 50 -3.230 12.569 -2.088 1475 1HB GLU 50 2HB GLU 50 -2.543 9.956 -1.665 1476 2HB GLU 50 3HB GLU 50 -4.221 9.788 -2.172 1477 1HG GLU 50 2HG GLU 50 -3.654 11.205 -4.166 1478 2HG GLU 50 3HG GLU 50 -1.965 11.081 -3.684 1479 H LEU 51 H LEU 51 -5.275 10.978 0.239 1480 HA LEU 51 HA LEU 51 -7.794 11.293 -0.991 1481 1HB LEU 51 2HB LEU 51 -6.758 10.427 1.508 1482 2HB LEU 51 3HB LEU 51 -7.969 11.646 1.845 1483 HG LEU 51 HG LEU 51 -9.551 10.302 0.378 1484 1HD1 LEU 51 1HD1 LEU 51 -7.156 8.568 0.349 1485 2HD1 LEU 51 2HD1 LEU 51 -8.717 7.772 0.551 1486 3HD1 LEU 51 3HD1 LEU 51 -8.417 8.785 -0.864 1487 1HD2 LEU 51 1HD2 LEU 51 -8.810 10.046 3.083 1488 2HD2 LEU 51 2HD2 LEU 51 -10.351 9.627 2.337 1489 3HD2 LEU 51 3HD2 LEU 51 -9.082 8.412 2.476 1490 H LYS 52 H LYS 52 -5.751 13.443 0.881 1491 HA LYS 52 HA LYS 52 -7.698 15.488 1.268 1492 1HB LYS 52 2HB LYS 52 -4.733 15.278 1.588 1493 2HB LYS 52 3HB LYS 52 -5.471 16.872 1.590 1494 1HG LYS 52 2HG LYS 52 -7.047 15.808 3.389 1495 2HG LYS 52 3HG LYS 52 -5.717 14.661 3.568 1496 1HD LYS 52 2HD LYS 52 -5.539 17.662 3.842 1497 2HD LYS 52 3HD LYS 52 -5.496 16.490 5.159 1498 1HE LYS 52 2HE LYS 52 -3.500 16.324 2.934 1499 2HE LYS 52 3HE LYS 52 -3.276 17.492 4.232 1500 1HZ LYS 52 HZ1 LYS 52 -3.831 14.701 4.951 1501 2HZ LYS 52 HZ2 LYS 52 -2.276 15.095 4.390 1502 3HZ LYS 52 HZ3 LYS 52 -2.906 15.864 5.766 1503 H ALA 53 H ALA 53 -5.120 14.933 -1.080 1504 HA ALA 53 HA ALA 53 -5.425 17.491 -2.289 1505 1HB ALA 53 1HB ALA 53 -3.427 15.656 -2.206 1506 2HB ALA 53 2HB ALA 53 -4.021 15.457 -3.856 1507 3HB ALA 53 3HB ALA 53 -3.481 17.040 -3.298 1508 H MET 54 H MET 54 -6.231 14.197 -3.364 1509 HA MET 54 HA MET 54 -7.540 15.370 -5.705 1510 1HB MET 54 2HB MET 54 -6.655 12.558 -5.075 1511 2HB MET 54 3HB MET 54 -7.582 12.977 -6.511 1512 1HG MET 54 2HG MET 54 -5.755 14.631 -7.050 1513 2HG MET 54 3HG MET 54 -4.813 13.865 -5.773 1514 1HE MET 54 1HE MET 54 -3.090 12.950 -6.417 1515 2HE MET 54 2HE MET 54 -3.369 11.211 -6.526 1516 3HE MET 54 3HE MET 54 -2.715 12.089 -7.907 1517 H GLY 55 H GLY 55 -8.246 13.403 -2.894 1518 1HA GLY 55 1HA GLY 55 -10.497 13.865 -1.986 1519 2HA GLY 55 2HA GLY 55 -11.099 13.587 -3.613 1520 H LYS 56 H LYS 56 -12.369 12.191 -1.892 1521 HA LYS 56 HA LYS 56 -11.342 9.461 -2.200 1522 1HB LYS 56 2HB LYS 56 -12.495 9.013 0.075 1523 2HB LYS 56 3HB LYS 56 -10.908 9.767 0.080 1524 1HG LYS 56 2HG LYS 56 -11.702 11.762 0.831 1525 2HG LYS 56 3HG LYS 56 -13.282 11.547 0.074 1526 1HD LYS 56 2HD LYS 56 -14.082 10.250 1.811 1527 2HD LYS 56 3HD LYS 56 -12.467 9.752 2.318 1528 1HE LYS 56 2HE LYS 56 -12.031 11.866 3.305 1529 2HE LYS 56 3HE LYS 56 -13.464 12.580 2.568 1530 1HZ LYS 56 HZ1 LYS 56 -14.437 10.480 4.019 1531 2HZ LYS 56 HZ2 LYS 56 -13.216 11.111 5.010 1532 3HZ LYS 56 HZ3 LYS 56 -14.476 12.111 4.476 1533 HA PRO 57 HA PRO 57 -15.268 8.502 -3.917 1534 1HB PRO 57 2HB PRO 57 -15.922 6.185 -2.510 1535 2HB PRO 57 3HB PRO 57 -14.982 6.268 -4.000 1536 1HG PRO 57 2HG PRO 57 -14.064 5.991 -1.182 1537 2HG PRO 57 3HG PRO 57 -13.353 5.333 -2.666 1538 1HD PRO 57 2HD PRO 57 -12.292 7.450 -1.368 1539 2HD PRO 57 3HD PRO 57 -12.214 7.285 -3.133 1540 H ASP 58 H ASP 58 -17.152 9.418 -3.564 1541 HA ASP 58 HA ASP 58 -18.119 9.705 -0.807 1542 1HB ASP 58 2HB ASP 58 -17.819 11.782 -2.106 1543 2HB ASP 58 3HB ASP 58 -18.939 11.177 -3.321 1544 H VAL 59 H VAL 59 -18.906 7.520 -0.736 1545 HA VAL 59 HA VAL 59 -21.389 7.167 -2.268 1546 HB VAL 59 HB VAL 59 -21.004 4.934 -2.635 1547 1HG1 VAL 59 1HG1 VAL 59 -19.071 6.475 -3.504 1548 2HG1 VAL 59 2HG1 VAL 59 -18.096 5.530 -2.376 1549 3HG1 VAL 59 3HG1 VAL 59 -18.973 4.722 -3.674 1550 1HG2 VAL 59 1HG2 VAL 59 -19.535 5.008 -0.061 1551 2HG2 VAL 59 2HG2 VAL 59 -20.754 3.875 -0.641 1552 3HG2 VAL 59 3HG2 VAL 59 -19.093 3.756 -1.221 1553 H LYS 60 H LYS 60 -23.074 5.964 -1.183 1554 HA LYS 60 HA LYS 60 -23.725 7.037 1.249 1555 1HB LYS 60 2HB LYS 60 -24.731 4.666 -0.272 1556 2HB LYS 60 3HB LYS 60 -25.338 4.960 1.353 1557 1HG LYS 60 2HG LYS 60 -26.780 6.426 0.543 1558 2HG LYS 60 3HG LYS 60 -25.443 7.415 -0.047 1559 1HD LYS 60 2HD LYS 60 -25.393 6.075 -2.112 1560 2HD LYS 60 3HD LYS 60 -26.773 5.144 -1.524 1561 1HE LYS 60 2HE LYS 60 -28.126 6.658 -2.425 1562 2HE LYS 60 3HE LYS 60 -27.488 7.853 -1.295 1563 1HZ LYS 60 HZ1 LYS 60 -26.216 7.226 -3.901 1564 2HZ LYS 60 HZ2 LYS 60 -27.337 8.477 -3.690 1565 3HZ LYS 60 HZ3 LYS 60 -25.854 8.516 -2.863 1566 H ASN 61 H ASN 61 -22.547 3.711 0.692 1567 HA ASN 61 HA ASN 61 -21.973 3.550 3.573 1568 1HB ASN 61 2HB ASN 61 -21.869 1.057 1.981 1569 2HB ASN 61 3HB ASN 61 -22.534 1.341 3.583 1570 1HD2 ASN 61 1HD2 ASN 61 -23.312 0.416 0.586 1571 2HD2 ASN 61 2HD2 ASN 61 -24.970 0.900 0.533 1572 H TYR 62 H TYR 62 -19.998 4.728 3.262 1573 HA TYR 62 HA TYR 62 -17.860 3.068 2.095 1574 1HB TYR 62 HB2 TYR 62 -17.856 4.917 0.682 1575 2HB TYR 62 HB3 TYR 62 -18.356 6.022 1.954 1576 HD1 TYR 62 HD1 TYR 62 -15.459 3.682 1.586 1577 HD2 TYR 62 HD2 TYR 62 -16.770 7.673 2.234 1578 HE1 TYR 62 HE1 TYR 62 -13.131 4.395 1.870 1579 HE2 TYR 62 HE2 TYR 62 -14.436 8.400 2.509 1580 HH TYR 62 HH TYR 62 -11.762 6.361 1.734 1581 H LYS 63 H LYS 63 -16.244 2.507 3.430 1582 HA LYS 63 HA LYS 63 -15.911 4.042 5.914 1583 1HB LYS 63 2HB LYS 63 -15.716 1.027 5.749 1584 2HB LYS 63 3HB LYS 63 -15.548 2.022 7.185 1585 1HG LYS 63 2HG LYS 63 -17.954 2.780 6.579 1586 2HG LYS 63 3HG LYS 63 -18.001 1.245 5.715 1587 1HD LYS 63 2HD LYS 63 -16.875 0.625 8.178 1588 2HD LYS 63 3HD LYS 63 -18.139 1.794 8.564 1589 1HE LYS 63 2HE LYS 63 -19.119 -0.097 6.647 1590 2HE LYS 63 3HE LYS 63 -18.427 -0.954 8.021 1591 1HZ LYS 63 HZ1 LYS 63 -20.140 1.305 8.668 1592 2HZ LYS 63 HZ2 LYS 63 -20.920 -0.029 7.964 1593 3HZ LYS 63 HZ3 LYS 63 -20.031 -0.223 9.394 1594 H HIS 64 H HIS 64 -13.904 4.809 6.078 1595 HA HIS 64 HA HIS 64 -11.782 3.750 4.397 1596 1HB HIS 64 2HB HIS 64 -12.249 6.251 4.909 1597 2HB HIS 64 3HB HIS 64 -11.489 5.930 6.462 1598 HD1 HIS 64 HD1 HIS 64 -9.385 7.280 6.146 1599 HD2 HIS 64 HD2 HIS 64 -10.071 4.595 3.047 1600 HE1 HIS 64 HE1 HIS 64 -7.309 7.338 4.723 1601 HE2 HIS 64 HE2 HIS 64 -7.876 5.912 2.725 1602 H MET 65 H MET 65 -10.750 1.966 5.124 1603 HA MET 65 HA MET 65 -10.393 1.688 8.036 1604 1HB MET 65 2HB MET 65 -11.099 -0.173 5.905 1605 2HB MET 65 3HB MET 65 -9.758 -0.756 6.881 1606 1HG MET 65 2HG MET 65 -11.756 -1.604 7.831 1607 2HG MET 65 3HG MET 65 -11.148 -0.347 8.908 1608 1HE MET 65 1HE MET 65 -12.975 0.714 10.179 1609 2HE MET 65 2HE MET 65 -12.272 2.020 9.224 1610 3HE MET 65 3HE MET 65 -14.022 1.898 9.396 1611 H SER 66 H SER 66 -8.474 2.706 8.420 1612 HA SER 66 HA SER 66 -6.204 1.881 6.753 1613 1HB SER 66 2HB SER 66 -6.367 4.452 8.312 1614 2HB SER 66 3HB SER 66 -5.311 4.056 6.954 1615 HG SER 66 HG SER 66 -7.690 3.702 6.023 1616 H ARG 67 H ARG 67 -4.721 0.723 7.650 1617 HA ARG 67 HA ARG 67 -3.666 1.394 10.240 1618 1HB ARG 67 2HB ARG 67 -5.529 -0.589 10.329 1619 2HB ARG 67 3HB ARG 67 -4.081 -1.530 9.999 1620 1HG ARG 67 2HG ARG 67 -4.568 -1.345 12.399 1621 2HG ARG 67 3HG ARG 67 -3.004 -0.657 11.968 1622 1HD ARG 67 2HD ARG 67 -5.251 1.238 11.912 1623 2HD ARG 67 3HD ARG 67 -4.875 0.582 13.504 1624 HE ARG 67 HE ARG 67 -2.954 2.045 11.794 1625 1HH1 ARG 67 1HH1 ARG 67 -4.110 1.042 14.946 1626 2HH1 ARG 67 2HH1 ARG 67 -2.958 2.008 15.820 1627 1HH2 ARG 67 1HH2 ARG 67 -1.432 3.297 12.924 1628 2HH2 ARG 67 2HH2 ARG 67 -1.434 3.303 14.666 1629 H GLY 68 H GLY 68 -2.453 -1.629 9.812 1630 1HA GLY 68 1HA GLY 68 -0.400 -0.691 7.946 1631 2HA GLY 68 2HA GLY 68 -0.354 -2.178 8.896 1632 H LYS 69 H LYS 69 -2.814 -3.210 8.412 1633 HA LYS 69 HA LYS 69 -3.339 -3.149 5.577 1634 1HB LYS 69 2HB LYS 69 -1.976 -5.397 6.775 1635 2HB LYS 69 3HB LYS 69 -3.550 -5.888 6.162 1636 1HG LYS 69 2HG LYS 69 -1.143 -4.983 4.705 1637 2HG LYS 69 3HG LYS 69 -2.338 -6.206 4.276 1638 1HD LYS 69 2HD LYS 69 -3.744 -4.680 3.290 1639 2HD LYS 69 3HD LYS 69 -3.185 -3.348 4.304 1640 1HE LYS 69 2HE LYS 69 -0.925 -3.955 2.916 1641 2HE LYS 69 3HE LYS 69 -2.169 -4.326 1.725 1642 1HZ LYS 69 HZ1 LYS 69 -2.995 -1.956 2.680 1643 2HZ LYS 69 HZ2 LYS 69 -1.315 -1.770 2.774 1644 3HZ LYS 69 HZ3 LYS 69 -2.049 -2.146 1.289 1645 H LEU 70 H LEU 70 -4.677 -2.034 7.625 1646 HA LEU 70 HA LEU 70 -6.720 -1.689 8.465 1647 1HB LEU 70 2HB LEU 70 -8.329 -1.864 6.933 1648 2HB LEU 70 3HB LEU 70 -7.018 -2.401 5.906 1649 HG LEU 70 HG LEU 70 -8.118 -4.675 7.258 1650 1HD1 LEU 70 1HD1 LEU 70 -10.091 -2.972 7.291 1651 2HD1 LEU 70 2HD1 LEU 70 -10.189 -3.345 5.570 1652 3HD1 LEU 70 3HD1 LEU 70 -10.367 -4.633 6.762 1653 1HD2 LEU 70 1HD2 LEU 70 -6.886 -4.348 5.011 1654 2HD2 LEU 70 2HD2 LEU 70 -8.156 -5.565 5.123 1655 3HD2 LEU 70 3HD2 LEU 70 -8.493 -4.007 4.369 1656 H GLU 71 H GLU 71 -5.435 -4.734 8.843 1657 HA GLU 71 HA GLU 71 -7.345 -6.442 9.607 1658 1HB GLU 71 2HB GLU 71 -5.190 -6.492 11.577 1659 2HB GLU 71 3HB GLU 71 -5.698 -7.716 10.425 1660 1HG GLU 71 2HG GLU 71 -3.666 -7.300 9.556 1661 2HG GLU 71 3HG GLU 71 -4.539 -6.007 8.735 1662 HA PRO 72 HA PRO 72 -7.856 -4.953 14.137 1663 1HB PRO 72 2HB PRO 72 -6.519 -2.386 14.456 1664 2HB PRO 72 3HB PRO 72 -6.299 -3.876 15.375 1665 1HG PRO 72 2HG PRO 72 -4.412 -2.884 13.700 1666 2HG PRO 72 3HG PRO 72 -4.606 -4.617 14.018 1667 1HD PRO 72 2HD PRO 72 -5.545 -3.000 11.681 1668 2HD PRO 72 3HD PRO 72 -4.810 -4.616 11.708 1669 H LEU 73 H LEU 73 -7.957 -2.771 11.485 1670 HA LEU 73 HA LEU 73 -9.912 -1.014 12.719 1671 1HB LEU 73 2HB LEU 73 -8.185 -0.957 10.368 1672 2HB LEU 73 3HB LEU 73 -9.812 -0.412 10.011 1673 HG LEU 73 HG LEU 73 -7.918 1.263 10.787 1674 1HD1 LEU 73 1HD1 LEU 73 -10.767 1.251 10.802 1675 2HD1 LEU 73 2HD1 LEU 73 -10.182 2.201 12.169 1676 3HD1 LEU 73 3HD1 LEU 73 -9.659 2.597 10.533 1677 1HD2 LEU 73 1HD2 LEU 73 -7.467 0.095 12.898 1678 2HD2 LEU 73 2HD2 LEU 73 -8.025 1.749 13.161 1679 3HD2 LEU 73 3HD2 LEU 73 -9.129 0.394 13.410 1680 H LEU 74 H LEU 74 -9.800 -3.847 10.842 1681 HA LEU 74 HA LEU 74 -12.187 -3.710 9.386 1682 1HB LEU 74 2HB LEU 74 -10.359 -5.396 9.145 1683 2HB LEU 74 3HB LEU 74 -10.919 -6.151 10.623 1684 HG LEU 74 HG LEU 74 -13.143 -6.502 9.463 1685 1HD1 LEU 74 1HD1 LEU 74 -12.445 -4.775 7.648 1686 2HD1 LEU 74 2HD1 LEU 74 -11.641 -6.159 6.907 1687 3HD1 LEU 74 3HD1 LEU 74 -13.381 -6.199 7.191 1688 1HD2 LEU 74 1HD2 LEU 74 -11.525 -8.288 9.808 1689 2HD2 LEU 74 2HD2 LEU 74 -12.338 -8.464 8.254 1690 3HD2 LEU 74 3HD2 LEU 74 -10.692 -7.834 8.321 1691 H ALA 75 H ALA 75 -11.535 -5.135 12.568 1692 HA ALA 75 HA ALA 75 -14.185 -5.882 13.135 1693 1HB ALA 75 1HB ALA 75 -11.655 -5.729 14.582 1694 2HB ALA 75 2HB ALA 75 -13.071 -5.469 15.602 1695 3HB ALA 75 3HB ALA 75 -12.931 -6.946 14.649 1696 H LYS 76 H LYS 76 -12.571 -2.835 13.305 1697 HA LYS 76 HA LYS 76 -14.359 -1.624 15.179 1698 1HB LYS 76 2HB LYS 76 -12.442 -0.299 13.257 1699 2HB LYS 76 3HB LYS 76 -13.213 0.459 14.645 1700 1HG LYS 76 2HG LYS 76 -11.611 -1.976 15.155 1701 2HG LYS 76 3HG LYS 76 -10.739 -0.506 14.719 1702 1HD LYS 76 2HD LYS 76 -12.695 0.237 16.609 1703 2HD LYS 76 3HD LYS 76 -11.929 -1.231 17.222 1704 1HE LYS 76 2HE LYS 76 -10.334 0.131 17.997 1705 2HE LYS 76 3HE LYS 76 -9.788 0.225 16.323 1706 1HZ LYS 76 HZ1 LYS 76 -11.896 2.060 16.768 1707 2HZ LYS 76 HZ2 LYS 76 -10.673 2.303 17.918 1708 3HZ LYS 76 HZ3 LYS 76 -10.305 2.363 16.263 1709 H SER 77 H SER 77 -14.438 -2.138 11.751 1710 HA SER 77 HA SER 77 -16.201 0.042 11.172 1711 1HB SER 77 2HB SER 77 -16.357 -2.188 9.306 1712 2HB SER 77 3HB SER 77 -15.818 -0.530 9.033 1713 HG SER 77 HG SER 77 -13.849 -1.218 9.101 1714 H GLY 78 H GLY 78 -16.573 -3.395 11.866 1715 1HA GLY 78 1HA GLY 78 -18.451 -4.384 12.875 1716 2HA GLY 78 2HA GLY 78 -19.387 -2.940 12.499 1717 H LEU 79 H LEU 79 -17.383 -4.836 10.305 1718 HA LEU 79 HA LEU 79 -19.585 -5.057 8.450 1719 1HB LEU 79 2HB LEU 79 -16.823 -6.241 8.217 1720 2HB LEU 79 3HB LEU 79 -17.975 -5.976 6.922 1721 HG LEU 79 HG LEU 79 -16.973 -3.638 8.490 1722 1HD1 LEU 79 1HD1 LEU 79 -15.232 -5.405 7.218 1723 2HD1 LEU 79 2HD1 LEU 79 -15.451 -4.073 6.084 1724 3HD1 LEU 79 3HD1 LEU 79 -14.893 -3.749 7.725 1725 1HD2 LEU 79 1HD2 LEU 79 -17.834 -4.036 5.627 1726 2HD2 LEU 79 2HD2 LEU 79 -18.791 -3.302 6.913 1727 3HD2 LEU 79 3HD2 LEU 79 -17.326 -2.506 6.342 1728 H ASP 80 H ASP 80 -20.398 -7.041 7.622 1729 HA ASP 80 HA ASP 80 -19.911 -9.375 9.348 1730 1HB ASP 80 2HB ASP 80 -22.285 -7.947 9.228 1731 2HB ASP 80 3HB ASP 80 -22.565 -9.293 8.127 1732 HA PRO 81 HA PRO 81 -18.746 -11.293 5.556 1733 1HB PRO 81 2HB PRO 81 -19.448 -13.821 6.924 1734 2HB PRO 81 3HB PRO 81 -17.904 -13.301 6.240 1735 1HG PRO 81 2HG PRO 81 -18.272 -13.394 8.879 1736 2HG PRO 81 3HG PRO 81 -17.325 -12.093 8.131 1737 1HD PRO 81 2HD PRO 81 -20.143 -12.046 9.142 1738 2HD PRO 81 3HD PRO 81 -18.864 -10.821 9.300 1739 H GLU 82 H GLU 82 -21.890 -11.131 6.563 1740 HA GLU 82 HA GLU 82 -22.824 -12.928 4.438 1741 1HB GLU 82 2HB GLU 82 -25.008 -12.867 5.503 1742 2HB GLU 82 3HB GLU 82 -23.783 -13.358 6.663 1743 1HG GLU 82 2HG GLU 82 -24.462 -11.767 8.032 1744 2HG GLU 82 3HG GLU 82 -24.010 -10.553 6.836 1745 H LYS 83 H LYS 83 -22.019 -9.790 4.910 1746 HA LYS 83 HA LYS 83 -24.085 -8.798 3.060 1747 1HB LYS 83 2HB LYS 83 -22.223 -6.996 4.572 1748 2HB LYS 83 3HB LYS 83 -23.819 -6.641 3.929 1749 1HG LYS 83 2HG LYS 83 -24.582 -8.418 5.699 1750 2HG LYS 83 3HG LYS 83 -23.046 -7.998 6.460 1751 1HD LYS 83 2HD LYS 83 -23.740 -5.913 7.019 1752 2HD LYS 83 3HD LYS 83 -24.734 -5.739 5.572 1753 1HE LYS 83 2HE LYS 83 -25.416 -7.392 8.002 1754 2HE LYS 83 3HE LYS 83 -26.099 -5.817 7.600 1755 1HZ LYS 83 HZ1 LYS 83 -26.583 -7.206 5.357 1756 2HZ LYS 83 HZ2 LYS 83 -26.719 -8.431 6.528 1757 3HZ LYS 83 HZ3 LYS 83 -27.685 -7.040 6.633 1758 HA PRO 84 HA PRO 84 -20.896 -8.539 -0.002 1759 1HB PRO 84 2HB PRO 84 -22.379 -6.424 -1.364 1760 2HB PRO 84 3HB PRO 84 -22.129 -8.100 -1.859 1761 1HG PRO 84 2HG PRO 84 -24.541 -7.177 -1.084 1762 2HG PRO 84 3HG PRO 84 -24.015 -8.842 -0.774 1763 1HD PRO 84 2HD PRO 84 -24.000 -6.477 1.080 1764 2HD PRO 84 3HD PRO 84 -24.553 -8.144 1.390 1765 H VAL 85 H VAL 85 -19.102 -7.364 -0.457 1766 HA VAL 85 HA VAL 85 -19.017 -4.532 0.278 1767 HB VAL 85 HB VAL 85 -16.679 -5.105 1.319 1768 1HG1 VAL 85 1HG1 VAL 85 -19.381 -5.068 2.478 1769 2HG1 VAL 85 2HG1 VAL 85 -18.115 -5.724 3.515 1770 3HG1 VAL 85 3HG1 VAL 85 -17.964 -4.092 2.865 1771 1HG2 VAL 85 1HG2 VAL 85 -16.827 -7.513 0.758 1772 2HG2 VAL 85 2HG2 VAL 85 -16.578 -7.211 2.478 1773 3HG2 VAL 85 3HG2 VAL 85 -18.178 -7.657 1.883 1774 H VAL 86 H VAL 86 -17.406 -3.352 -0.778 1775 HA VAL 86 HA VAL 86 -15.824 -4.853 -2.747 1776 HB VAL 86 HB VAL 86 -17.498 -3.820 -4.077 1777 1HG1 VAL 86 1HG1 VAL 86 -17.020 -1.372 -2.412 1778 2HG1 VAL 86 2HG1 VAL 86 -17.865 -1.320 -3.961 1779 3HG1 VAL 86 3HG1 VAL 86 -18.517 -2.281 -2.630 1780 1HG2 VAL 86 1HG2 VAL 86 -14.781 -2.855 -4.207 1781 2HG2 VAL 86 2HG2 VAL 86 -15.878 -3.303 -5.514 1782 3HG2 VAL 86 3HG2 VAL 86 -15.911 -1.667 -4.858 1783 H VAL 87 H VAL 87 -13.739 -4.239 -2.977 1784 HA VAL 87 HA VAL 87 -12.793 -2.190 -1.093 1785 HB VAL 87 HB VAL 87 -10.555 -3.405 -1.319 1786 1HG1 VAL 87 1HG1 VAL 87 -12.978 -4.537 0.034 1787 2HG1 VAL 87 2HG1 VAL 87 -11.388 -5.276 0.236 1788 3HG1 VAL 87 3HG1 VAL 87 -11.654 -3.601 0.729 1789 1HG2 VAL 87 1HG2 VAL 87 -12.042 -4.942 -3.174 1790 2HG2 VAL 87 2HG2 VAL 87 -10.371 -5.172 -2.658 1791 3HG2 VAL 87 3HG2 VAL 87 -11.679 -5.986 -1.799 1792 H PHE 88 H PHE 88 -11.957 -0.421 -1.883 1793 HA PHE 88 HA PHE 88 -11.560 -0.266 -4.775 1794 1HB PHE 88 2HB PHE 88 -13.261 1.182 -3.723 1795 2HB PHE 88 3HB PHE 88 -12.019 1.913 -2.721 1796 HD1 PHE 88 HD1 PHE 88 -11.700 1.116 -6.332 1797 HD2 PHE 88 HD2 PHE 88 -12.251 4.149 -3.396 1798 HE1 PHE 88 HE1 PHE 88 -11.276 2.834 -8.030 1799 HE2 PHE 88 HE2 PHE 88 -11.829 5.868 -5.095 1800 HZ PHE 88 HZ PHE 88 -11.339 5.210 -7.413 1801 H CYS 89 H CYS 89 -9.708 0.368 -5.721 1802 HA CYS 89 HA CYS 89 -7.631 1.250 -6.029 1803 1HB CYS 89 2HB CYS 89 -8.174 2.356 -3.545 1804 2HB CYS 89 3HB CYS 89 -6.680 1.460 -3.289 1805 H LYS 90 H LYS 90 -7.684 -1.112 -6.617 1806 HA LYS 90 HA LYS 90 -6.314 -2.958 -4.906 1807 1HB LYS 90 2HB LYS 90 -6.536 -4.530 -6.657 1808 2HB LYS 90 3HB LYS 90 -7.995 -3.552 -6.720 1809 1HG LYS 90 2HG LYS 90 -7.543 -2.805 -8.776 1810 2HG LYS 90 3HG LYS 90 -5.840 -2.535 -8.405 1811 1HD LYS 90 2HD LYS 90 -6.060 -5.287 -8.425 1812 2HD LYS 90 3HD LYS 90 -7.133 -4.782 -9.733 1813 1HE LYS 90 2HE LYS 90 -4.532 -3.412 -9.640 1814 2HE LYS 90 3HE LYS 90 -4.457 -5.138 -9.988 1815 1HZ LYS 90 HZ1 LYS 90 -6.448 -4.320 -11.609 1816 2HZ LYS 90 HZ2 LYS 90 -5.428 -2.964 -11.625 1817 3HZ LYS 90 HZ3 LYS 90 -4.822 -4.483 -12.078 1818 H THR 91 H THR 91 -5.345 -0.573 -7.183 1819 HA THR 91 HA THR 91 -2.954 -1.784 -8.047 1820 HB THR 91 HB THR 91 -2.903 1.105 -8.227 1821 HG1 THR 91 HG1 THR 91 -4.910 1.080 -9.572 1822 1HG2 THR 91 1HG2 THR 91 -1.822 -0.624 -9.736 1823 2HG2 THR 91 2HG2 THR 91 -3.430 -0.935 -10.388 1824 3HG2 THR 91 3HG2 THR 91 -2.703 0.661 -10.562 1825 H ALA 92 H ALA 92 -2.292 1.399 -7.045 1826 HA ALA 92 HA ALA 92 0.065 0.763 -5.777 1827 1HB ALA 92 1HB ALA 92 -1.481 3.132 -6.254 1828 2HB ALA 92 2HB ALA 92 -0.747 3.196 -4.653 1829 3HB ALA 92 3HB ALA 92 0.264 2.949 -6.076 1830 H ALA 93 H ALA 93 -3.083 1.335 -4.303 1831 HA ALA 93 HA ALA 93 -2.135 1.210 -1.620 1832 1HB ALA 93 1HB ALA 93 -4.537 1.864 -2.954 1833 2HB ALA 93 2HB ALA 93 -4.908 0.637 -1.743 1834 3HB ALA 93 3HB ALA 93 -4.106 2.132 -1.266 1835 H ARG 94 H ARG 94 -3.282 -1.126 -3.900 1836 HA ARG 94 HA ARG 94 -3.432 -3.377 -3.895 1837 1HB ARG 94 2HB ARG 94 -1.683 -3.049 -1.461 1838 2HB ARG 94 3HB ARG 94 -2.171 -4.626 -2.067 1839 1HG ARG 94 2HG ARG 94 -0.840 -2.647 -3.871 1840 2HG ARG 94 3HG ARG 94 0.107 -3.656 -2.776 1841 1HD ARG 94 2HD ARG 94 0.091 -5.114 -4.489 1842 2HD ARG 94 3HD ARG 94 -1.522 -5.508 -3.895 1843 HE ARG 94 HE ARG 94 -2.380 -3.915 -5.574 1844 1HH1 ARG 94 1HH1 ARG 94 0.824 -5.257 -6.013 1845 2HH1 ARG 94 2HH1 ARG 94 0.845 -4.994 -7.733 1846 1HH2 ARG 94 1HH2 ARG 94 -2.368 -3.578 -7.814 1847 2HH2 ARG 94 2HH2 ARG 94 -0.980 -4.027 -8.762 1848 H ALA 95 H ALA 95 -5.699 -2.334 -3.211 1849 HA ALA 95 HA ALA 95 -6.770 -2.952 -0.674 1850 1HB ALA 95 1HB ALA 95 -7.697 -1.748 -3.015 1851 2HB ALA 95 2HB ALA 95 -8.758 -3.131 -2.748 1852 3HB ALA 95 3HB ALA 95 -8.560 -1.915 -1.486 1853 H ALA 96 H ALA 96 -5.846 -4.954 -3.230 1854 HA ALA 96 HA ALA 96 -7.625 -7.069 -3.176 1855 1HB ALA 96 1HB ALA 96 -5.473 -6.610 -4.608 1856 2HB ALA 96 2HB ALA 96 -4.710 -7.631 -3.388 1857 3HB ALA 96 3HB ALA 96 -6.053 -8.255 -4.347 1858 H LEU 97 H LEU 97 -5.169 -6.149 -0.887 1859 HA LEU 97 HA LEU 97 -5.106 -8.623 0.547 1860 1HB LEU 97 2HB LEU 97 -3.948 -5.954 0.825 1861 2HB LEU 97 3HB LEU 97 -4.375 -6.683 2.362 1862 HG LEU 97 HG LEU 97 -2.055 -7.145 1.824 1863 1HD1 LEU 97 1HD1 LEU 97 -4.047 -9.320 2.012 1864 2HD1 LEU 97 2HD1 LEU 97 -2.407 -9.790 1.565 1865 3HD1 LEU 97 3HD1 LEU 97 -2.694 -8.918 3.070 1866 1HD2 LEU 97 1HD2 LEU 97 -3.197 -7.806 -0.794 1867 2HD2 LEU 97 2HD2 LEU 97 -1.585 -7.231 -0.365 1868 3HD2 LEU 97 3HD2 LEU 97 -1.978 -8.944 -0.213 1869 H ALA 98 H ALA 98 -7.071 -5.737 0.675 1870 HA ALA 98 HA ALA 98 -8.284 -6.316 3.194 1871 1HB ALA 98 1HB ALA 98 -9.121 -4.470 0.957 1872 2HB ALA 98 2HB ALA 98 -9.882 -4.536 2.547 1873 3HB ALA 98 3HB ALA 98 -8.196 -4.035 2.396 1874 H GLY 99 H GLY 99 -9.213 -6.748 -0.192 1875 1HA GLY 99 1HA GLY 99 -11.777 -7.831 0.494 1876 2HA GLY 99 2HA GLY 99 -11.083 -7.735 -1.116 1877 H LYS 100 H LYS 100 -8.835 -9.237 -0.906 1878 HA LYS 100 HA LYS 100 -9.893 -11.731 -1.377 1879 1HB LYS 100 2HB LYS 100 -7.760 -12.442 -1.937 1880 2HB LYS 100 3HB LYS 100 -7.635 -10.698 -2.122 1881 1HG LYS 100 2HG LYS 100 -5.738 -10.983 -0.958 1882 2HG LYS 100 3HG LYS 100 -6.819 -10.958 0.434 1883 1HD LYS 100 2HD LYS 100 -5.185 -12.822 0.484 1884 2HD LYS 100 3HD LYS 100 -6.862 -13.365 0.506 1885 1HE LYS 100 2HE LYS 100 -6.048 -13.173 -2.201 1886 2HE LYS 100 3HE LYS 100 -4.790 -14.042 -1.322 1887 1HZ LYS 100 HZ1 LYS 100 -6.748 -15.368 -0.355 1888 2HZ LYS 100 HZ2 LYS 100 -7.632 -14.749 -1.671 1889 3HZ LYS 100 HZ3 LYS 100 -6.253 -15.701 -1.944 1890 H THR 101 H THR 101 -8.253 -10.596 1.534 1891 HA THR 101 HA THR 101 -8.232 -13.106 2.828 1892 HB THR 101 HB THR 101 -8.237 -10.555 4.383 1893 HG1 THR 101 HG1 THR 101 -6.710 -9.803 3.119 1894 1HG2 THR 101 1HG2 THR 101 -7.756 -13.096 5.110 1895 2HG2 THR 101 2HG2 THR 101 -6.130 -12.620 4.615 1896 3HG2 THR 101 3HG2 THR 101 -6.973 -11.714 5.872 1897 H LEU 102 H LEU 102 -10.541 -10.457 2.759 1898 HA LEU 102 HA LEU 102 -12.152 -11.271 4.913 1899 1HB LEU 102 2HB LEU 102 -12.552 -9.551 2.513 1900 2HB LEU 102 3HB LEU 102 -13.958 -10.032 3.444 1901 HG LEU 102 HG LEU 102 -11.632 -8.349 4.331 1902 1HD1 LEU 102 1HD1 LEU 102 -14.422 -7.920 3.610 1903 2HD1 LEU 102 2HD1 LEU 102 -13.984 -7.208 5.163 1904 3HD1 LEU 102 3HD1 LEU 102 -13.086 -6.773 3.707 1905 1HD2 LEU 102 1HD2 LEU 102 -13.740 -9.651 6.049 1906 2HD2 LEU 102 2HD2 LEU 102 -12.005 -9.963 6.093 1907 3HD2 LEU 102 3HD2 LEU 102 -12.630 -8.389 6.586 1908 H ARG 103 H ARG 103 -12.508 -11.922 1.415 1909 HA ARG 103 HA ARG 103 -14.808 -13.544 1.741 1910 1HB ARG 103 2HB ARG 103 -14.530 -14.176 -0.553 1911 2HB ARG 103 3HB ARG 103 -14.119 -12.475 -0.404 1912 1HG ARG 103 2HG ARG 103 -12.017 -12.804 -1.088 1913 2HG ARG 103 3HG ARG 103 -11.833 -14.273 -0.127 1914 1HD ARG 103 2HD ARG 103 -13.470 -15.257 -1.930 1915 2HD ARG 103 3HD ARG 103 -12.844 -13.930 -2.905 1916 HE ARG 103 HE ARG 103 -10.663 -14.880 -2.737 1917 1HH1 ARG 103 1HH1 ARG 103 -13.204 -16.905 -1.397 1918 2HH1 ARG 103 2HH1 ARG 103 -12.279 -18.373 -1.548 1919 1HH2 ARG 103 1HH2 ARG 103 -9.470 -16.786 -2.972 1920 2HH2 ARG 103 2HH2 ARG 103 -10.151 -18.307 -2.453 1921 H GLU 104 H GLU 104 -11.404 -14.174 1.930 1922 HA GLU 104 HA GLU 104 -11.554 -17.025 1.893 1923 1HB GLU 104 2HB GLU 104 -9.478 -14.995 2.555 1924 2HB GLU 104 3HB GLU 104 -9.249 -16.635 3.145 1925 1HG GLU 104 2HG GLU 104 -9.806 -17.219 0.624 1926 2HG GLU 104 3HG GLU 104 -9.200 -15.582 0.381 1927 H TYR 105 H TYR 105 -12.628 -14.793 4.108 1928 HA TYR 105 HA TYR 105 -12.265 -16.680 6.332 1929 1HB TYR 105 HB2 TYR 105 -12.729 -13.699 6.371 1930 2HB TYR 105 HB3 TYR 105 -12.884 -14.711 7.804 1931 HD1 TYR 105 HD1 TYR 105 -10.487 -16.491 6.444 1932 HD2 TYR 105 HD2 TYR 105 -10.986 -12.484 7.781 1933 HE1 TYR 105 HE1 TYR 105 -8.066 -16.324 6.811 1934 HE2 TYR 105 HE2 TYR 105 -8.560 -12.309 8.157 1935 HH TYR 105 HH TYR 105 -6.624 -14.095 8.639 1936 H GLY 106 H GLY 106 -14.479 -15.508 4.102 1937 1HA GLY 106 1HA GLY 106 -16.417 -17.066 4.112 1938 2HA GLY 106 2HA GLY 106 -16.679 -16.559 5.769 1939 H PHE 107 H PHE 107 -15.727 -14.022 3.673 1940 HA PHE 107 HA PHE 107 -18.247 -12.733 3.994 1941 1HB PHE 107 2HB PHE 107 -15.640 -12.034 2.786 1942 2HB PHE 107 3HB PHE 107 -17.046 -11.215 2.108 1943 HD1 PHE 107 HD1 PHE 107 -15.486 -12.031 5.385 1944 HD2 PHE 107 HD2 PHE 107 -17.828 -9.298 3.123 1945 HE1 PHE 107 HE1 PHE 107 -15.493 -10.471 7.287 1946 HE2 PHE 107 HE2 PHE 107 -17.837 -7.729 5.019 1947 HZ PHE 107 HZ PHE 107 -16.668 -8.316 7.106 1948 H LYS 108 H LYS 108 -19.869 -12.411 2.586 1949 HA LYS 108 HA LYS 108 -20.380 -14.484 0.781 1950 1HB LYS 108 2HB LYS 108 -21.806 -12.295 1.960 1951 2HB LYS 108 3HB LYS 108 -22.182 -12.370 0.244 1952 1HG LYS 108 2HG LYS 108 -22.497 -14.933 0.783 1953 2HG LYS 108 3HG LYS 108 -22.779 -14.307 2.409 1954 1HD LYS 108 2HD LYS 108 -24.729 -13.306 1.833 1955 2HD LYS 108 3HD LYS 108 -24.169 -12.910 0.208 1956 1HE LYS 108 2HE LYS 108 -24.513 -15.778 0.759 1957 2HE LYS 108 3HE LYS 108 -25.996 -14.825 0.774 1958 1HZ LYS 108 HZ1 LYS 108 -24.126 -14.442 -1.450 1959 2HZ LYS 108 HZ2 LYS 108 -25.063 -15.854 -1.427 1960 3HZ LYS 108 HZ3 LYS 108 -25.820 -14.337 -1.426 1961 H THR 109 H THR 109 -20.813 -11.122 -0.203 1962 HA THR 109 HA THR 109 -19.633 -11.832 -2.796 1963 HB THR 109 HB THR 109 -21.208 -9.396 -2.773 1964 HG1 THR 109 HG1 THR 109 -23.048 -11.357 -2.530 1965 1HG2 THR 109 1HG2 THR 109 -21.035 -11.943 -4.307 1966 2HG2 THR 109 2HG2 THR 109 -22.509 -10.983 -4.453 1967 3HG2 THR 109 3HG2 THR 109 -20.950 -10.274 -4.875 1968 H ILE 110 H ILE 110 -17.548 -11.166 -2.741 1969 HA ILE 110 HA ILE 110 -17.080 -8.408 -1.849 1970 HB ILE 110 HB ILE 110 -15.949 -10.313 -0.567 1971 1HG1 ILE 110 2HG1 ILE 110 -13.759 -8.568 -1.434 1972 2HG1 ILE 110 3HG1 ILE 110 -15.245 -7.709 -1.036 1973 1HG2 ILE 110 1HG2 ILE 110 -14.782 -10.713 -3.205 1974 2HG2 ILE 110 2HG2 ILE 110 -13.576 -10.565 -1.926 1975 3HG2 ILE 110 3HG2 ILE 110 -14.837 -11.794 -1.812 1976 1HD1 ILE 110 1HD1 ILE 110 -14.749 -9.673 0.964 1977 2HD1 ILE 110 2HD1 ILE 110 -13.289 -8.716 0.713 1978 3HD1 ILE 110 3HD1 ILE 110 -14.807 -7.916 1.118 1979 H TYR 111 H TYR 111 -16.295 -6.981 -3.225 1980 HA TYR 111 HA TYR 111 -15.393 -7.942 -5.863 1981 1HB TYR 111 HB2 TYR 111 -16.578 -5.216 -5.475 1982 2HB TYR 111 HB3 TYR 111 -16.526 -6.203 -6.929 1983 HD1 TYR 111 HD1 TYR 111 -18.235 -5.772 -3.668 1984 HD2 TYR 111 HD2 TYR 111 -18.338 -7.633 -7.498 1985 HE1 TYR 111 HE1 TYR 111 -20.563 -6.450 -3.270 1986 HE2 TYR 111 HE2 TYR 111 -20.668 -8.314 -7.104 1987 HH TYR 111 HH TYR 111 -22.606 -7.571 -5.705 1988 H ASN 112 H ASN 112 -13.712 -6.706 -6.868 1989 HA ASN 112 HA ASN 112 -12.342 -4.820 -5.068 1990 1HB ASN 112 2HB ASN 112 -11.246 -7.190 -5.580 1991 2HB ASN 112 3HB ASN 112 -10.776 -6.391 -7.076 1992 1HD2 ASN 112 1HD2 ASN 112 -9.541 -7.269 -4.333 1993 2HD2 ASN 112 2HD2 ASN 112 -8.480 -5.943 -3.977 1994 H SER 113 H SER 113 -11.387 -3.031 -6.137 1995 HA SER 113 HA SER 113 -12.789 -2.373 -8.569 1996 1HB SER 113 2HB SER 113 -10.750 -0.672 -7.144 1997 2HB SER 113 3HB SER 113 -12.051 -0.144 -8.215 1998 HG SER 113 HG SER 113 -12.763 -1.617 -5.957 1999 H GLU 114 H GLU 114 -11.991 -2.084 -10.525 2000 HA GLU 114 HA GLU 114 -9.176 -2.803 -11.015 2001 1HB GLU 114 2HB GLU 114 -11.014 -4.019 -12.296 2002 2HB GLU 114 3HB GLU 114 -11.331 -2.496 -13.112 2003 1HG GLU 114 2HG GLU 114 -9.946 -3.554 -14.604 2004 2HG GLU 114 3HG GLU 114 -8.809 -2.566 -13.693 2005 H GLY 115 H GLY 115 -7.919 -1.387 -12.367 2006 1HA GLY 115 1HA GLY 115 -7.451 0.684 -13.399 2007 2HA GLY 115 2HA GLY 115 -8.976 1.307 -12.785 2008 H GLY 116 H GLY 116 -9.109 1.998 -10.615 2009 1HA GLY 116 1HA GLY 116 -7.504 1.849 -8.521 2010 2HA GLY 116 2HA GLY 116 -6.540 2.893 -9.557 2011 H MET 117 H MET 117 -6.830 4.344 -7.653 2012 HA MET 117 HA MET 117 -9.368 5.484 -7.078 2013 1HB MET 117 2HB MET 117 -7.274 5.521 -5.617 2014 2HB MET 117 3HB MET 117 -6.702 6.827 -6.645 2015 1HG MET 117 2HG MET 117 -9.409 7.122 -5.492 2016 2HG MET 117 3HG MET 117 -8.046 7.230 -4.381 2017 1HE MET 117 1HE MET 117 -5.930 8.563 -5.022 2018 2HE MET 117 2HE MET 117 -5.878 8.746 -6.773 2019 3HE MET 117 3HE MET 117 -5.986 10.172 -5.742 2020 H ASP 118 H ASP 118 -6.829 6.201 -9.365 2021 HA ASP 118 HA ASP 118 -7.697 8.775 -10.126 2022 1HB ASP 118 2HB ASP 118 -5.694 8.594 -11.114 2023 2HB ASP 118 3HB ASP 118 -5.720 6.841 -10.998 2024 H LYS 119 H LYS 119 -8.786 5.543 -10.993 2025 HA LYS 119 HA LYS 119 -10.256 6.282 -13.298 2026 1HB LYS 119 2HB LYS 119 -9.741 3.917 -11.741 2027 2HB LYS 119 3HB LYS 119 -11.462 4.042 -12.079 2028 1HG LYS 119 2HG LYS 119 -10.379 2.734 -13.780 2029 2HG LYS 119 3HG LYS 119 -10.955 4.252 -14.473 2030 1HD LYS 119 2HD LYS 119 -8.295 4.628 -13.506 2031 2HD LYS 119 3HD LYS 119 -8.337 3.180 -14.518 2032 1HE LYS 119 2HE LYS 119 -8.894 4.335 -16.402 2033 2HE LYS 119 3HE LYS 119 -9.763 5.584 -15.512 2034 1HZ LYS 119 HZ1 LYS 119 -7.323 6.096 -14.675 2035 2HZ LYS 119 HZ2 LYS 119 -6.926 5.399 -16.173 2036 3HZ LYS 119 HZ3 LYS 119 -7.940 6.759 -16.115 2037 H TRP 120 H TRP 120 -10.946 6.233 -9.850 2038 HA TRP 120 HA TRP 120 -13.749 6.466 -10.000 2039 1HB TRP 120 HB2 TRP 120 -12.280 6.004 -7.936 2040 2HB TRP 120 HB3 TRP 120 -12.069 7.749 -7.845 2041 HD1 TRP 120 HD1 TRP 120 -14.047 9.162 -6.917 2042 HE1 TRP 120 HE1 TRP 120 -16.300 8.607 -5.822 2043 HE3 TRP 120 HE3 TRP 120 -14.199 4.141 -7.882 2044 HZ2 TRP 120 HZ2 TRP 120 -17.917 6.347 -5.404 2045 HZ3 TRP 120 HZ3 TRP 120 -16.152 2.855 -7.088 2046 HH2 TRP 120 HH2 TRP 120 -17.958 3.940 -5.867 2047 H LEU 121 H LEU 121 -11.236 8.992 -9.632 2048 HA LEU 121 HA LEU 121 -12.995 11.174 -9.923 2049 1HB LEU 121 2HB LEU 121 -10.073 10.719 -9.951 2050 2HB LEU 121 3HB LEU 121 -10.627 12.164 -10.774 2051 HG LEU 121 HG LEU 121 -11.153 11.482 -7.872 2052 1HD1 LEU 121 1HD1 LEU 121 -8.922 12.699 -9.187 2053 2HD1 LEU 121 2HD1 LEU 121 -9.729 13.883 -8.158 2054 3HD1 LEU 121 3HD1 LEU 121 -9.162 12.359 -7.474 2055 1HD2 LEU 121 1HD2 LEU 121 -12.757 12.985 -9.435 2056 2HD2 LEU 121 2HD2 LEU 121 -12.509 13.274 -7.713 2057 3HD2 LEU 121 3HD2 LEU 121 -11.598 14.204 -8.903 2058 H GLU 122 H GLU 122 -11.067 9.317 -12.226 2059 HA GLU 122 HA GLU 122 -11.387 10.987 -14.453 2060 1HB GLU 122 2HB GLU 122 -10.131 8.549 -13.877 2061 2HB GLU 122 3HB GLU 122 -11.222 8.205 -15.210 2062 1HG GLU 122 2HG GLU 122 -10.080 10.514 -16.048 2063 2HG GLU 122 3HG GLU 122 -8.755 9.778 -15.144 2064 H GLU 123 H GLU 123 -13.419 8.418 -13.187 2065 HA GLU 123 HA GLU 123 -15.121 8.401 -15.513 2066 1HB GLU 123 2HB GLU 123 -14.613 6.616 -13.440 2067 2HB GLU 123 3HB GLU 123 -16.262 7.157 -13.151 2068 1HG GLU 123 2HG GLU 123 -16.496 5.275 -14.498 2069 2HG GLU 123 3HG GLU 123 -16.688 6.632 -15.606 2070 H GLY 124 H GLY 124 -14.764 10.557 -13.094 2071 1HA GLY 124 1HA GLY 124 -16.037 12.375 -12.485 2072 2HA GLY 124 2HA GLY 124 -17.226 11.866 -13.675 2073 H LEU 125 H LEU 125 -16.141 9.767 -11.122 2074 HA LEU 125 HA LEU 125 -18.842 9.458 -10.201 2075 1HB LEU 125 2HB LEU 125 -16.252 8.260 -9.205 2076 2HB LEU 125 3HB LEU 125 -17.852 7.788 -8.663 2077 HG LEU 125 HG LEU 125 -16.914 7.538 -11.520 2078 1HD1 LEU 125 1HD1 LEU 125 -16.327 5.915 -9.213 2079 2HD1 LEU 125 2HD1 LEU 125 -17.223 5.004 -10.429 2080 3HD1 LEU 125 3HD1 LEU 125 -15.709 5.801 -10.862 2081 1HD2 LEU 125 1HD2 LEU 125 -19.361 6.633 -10.028 2082 2HD2 LEU 125 2HD2 LEU 125 -19.265 7.611 -11.493 2083 3HD2 LEU 125 3HD2 LEU 125 -18.857 5.895 -11.549 2084 HA PRO 126 HA PRO 126 -19.060 12.189 -6.763 2085 1HB PRO 126 2HB PRO 126 -19.765 10.520 -4.689 2086 2HB PRO 126 3HB PRO 126 -20.895 11.135 -5.903 2087 1HG PRO 126 2HG PRO 126 -19.432 8.508 -5.833 2088 2HG PRO 126 3HG PRO 126 -21.153 8.820 -6.177 2089 1HD PRO 126 2HD PRO 126 -19.476 8.393 -8.176 2090 2HD PRO 126 3HD PRO 126 -20.676 9.701 -8.305 2091 H SER 127 H SER 127 -17.327 13.094 -5.825 2092 HA SER 127 HA SER 127 -15.565 11.375 -4.228 2093 1HB SER 127 2HB SER 127 -13.915 13.351 -5.267 2094 2HB SER 127 3HB SER 127 -13.993 11.678 -5.817 2095 HG SER 127 HG SER 127 -15.567 12.330 -7.350 2096 H LEU 128 H LEU 128 -14.515 12.429 -2.495 2097 HA LEU 128 HA LEU 128 -15.715 15.010 -1.729 2098 1HB LEU 128 2HB LEU 128 -14.505 12.866 0.026 2099 2HB LEU 128 3HB LEU 128 -15.152 14.393 0.593 2100 HG LEU 128 HG LEU 128 -16.971 12.629 -0.958 2101 1HD1 LEU 128 1HD1 LEU 128 -16.071 12.084 1.863 2102 2HD1 LEU 128 2HD1 LEU 128 -17.549 11.431 1.156 2103 3HD1 LEU 128 3HD1 LEU 128 -15.981 10.999 0.476 2104 1HD2 LEU 128 1HD2 LEU 128 -17.517 14.926 -0.025 2105 2HD2 LEU 128 2HD2 LEU 128 -18.636 13.623 0.376 2106 3HD2 LEU 128 3HD2 LEU 128 -17.461 14.175 1.571 2107 H ASP 129 H ASP 129 -14.293 16.473 -2.482 2108 HA ASP 129 HA ASP 129 -11.497 16.235 -1.607 2109 1HB ASP 129 2HB ASP 129 -10.808 16.162 -3.737 2110 2HB ASP 129 3HB ASP 129 -12.479 16.155 -4.278 2111 H ARG 130 H ARG 130 -10.493 18.202 -0.992 2112 HA ARG 130 HA ARG 130 -12.368 20.349 -0.446 2113 1HB ARG 130 2HB ARG 130 -10.071 19.316 0.855 2114 2HB ARG 130 3HB ARG 130 -9.659 20.941 0.325 2115 1HG ARG 130 2HG ARG 130 -12.039 21.462 1.388 2116 2HG ARG 130 3HG ARG 130 -11.619 20.040 2.344 2117 1HD ARG 130 2HD ARG 130 -10.619 21.584 3.656 2118 2HD ARG 130 3HD ARG 130 -9.303 21.376 2.501 2119 HE ARG 130 HE ARG 130 -11.309 23.526 2.221 2120 1HH1 ARG 130 1HH1 ARG 130 -7.987 22.411 2.314 2121 2HH1 ARG 130 2HH1 ARG 130 -7.319 23.974 1.938 2122 1HH2 ARG 130 1HH2 ARG 130 -10.434 25.578 1.717 2123 2HH2 ARG 130 2HH2 ARG 130 -8.712 25.768 1.585 2124 H SER 131 H SER 131 -12.674 20.928 -2.615 2125 HA SER 131 HA SER 131 -10.980 21.325 -4.626 2126 1HB SER 131 2HB SER 131 -13.034 23.457 -4.145 2127 2HB SER 131 3HB SER 131 -12.608 22.634 -5.649 2128 HG SER 131 HG SER 131 -13.457 20.680 -4.512 2129 H HIS 132 H HIS 132 -9.135 22.287 -4.842 2130 HA HIS 132 HA HIS 132 -8.285 24.350 -3.041 2131 1HB HIS 132 2HB HIS 132 -6.950 22.935 -5.348 2132 2HB HIS 132 3HB HIS 132 -6.159 24.220 -4.441 2133 HD1 HIS 132 HD1 HIS 132 -7.698 20.793 -3.837 2134 HD2 HIS 132 HD2 HIS 132 -4.883 23.380 -2.198 2135 HE1 HIS 132 HE1 HIS 132 -6.597 19.508 -1.974 2136 HE2 HIS 132 HE2 HIS 132 -4.858 21.077 -1.026 2137 H HIS 133 H HIS 133 -10.163 25.727 -3.953 2138 HA HIS 133 HA HIS 133 -9.683 27.017 -6.472 2139 1HB HIS 133 2HB HIS 133 -11.914 26.739 -5.004 2140 2HB HIS 133 3HB HIS 133 -11.424 28.344 -4.468 2141 HD1 HIS 133 HD1 HIS 133 -11.774 26.570 -7.822 2142 HD2 HIS 133 HD2 HIS 133 -12.496 30.263 -6.042 2143 HE1 HIS 133 HE1 HIS 133 -12.774 28.012 -9.625 2144 HE2 HIS 133 HE2 HIS 133 -13.374 30.174 -8.480 2145 H HIS 134 H HIS 134 -8.366 27.322 -3.402 2146 HA HIS 134 HA HIS 134 -7.702 30.138 -3.596 2147 1HB HIS 134 2HB HIS 134 -7.984 28.911 -1.399 2148 2HB HIS 134 3HB HIS 134 -6.481 28.069 -1.755 2149 HD1 HIS 134 HD1 HIS 134 -4.595 29.063 -0.511 2150 HD2 HIS 134 HD2 HIS 134 -7.384 31.937 -1.651 2151 HE1 HIS 134 HE1 HIS 134 -3.690 31.259 0.315 2152 HE2 HIS 134 HE2 HIS 134 -5.426 32.973 -0.306 2153 H HIS 135 H HIS 135 -6.716 27.410 -5.153 2154 HA HIS 135 HA HIS 135 -3.888 27.970 -5.273 2155 1HB HIS 135 2HB HIS 135 -5.580 25.774 -5.941 2156 2HB HIS 135 3HB HIS 135 -4.680 26.235 -7.383 2157 HD1 HIS 135 HD1 HIS 135 -3.931 25.532 -3.717 2158 HD2 HIS 135 HD2 HIS 135 -2.239 25.077 -7.491 2159 HE1 HIS 135 HE1 HIS 135 -1.765 24.301 -3.349 2160 HE2 HIS 135 HE2 HIS 135 -0.690 24.165 -5.626 2161 H HIS 136 H HIS 136 -4.649 30.252 -5.912 2162 HA HIS 136 HA HIS 136 -5.407 30.675 -8.641 2163 1HB HIS 136 2HB HIS 136 -5.855 32.276 -6.758 2164 2HB HIS 136 3HB HIS 136 -4.136 32.643 -6.726 2165 HD1 HIS 136 HD1 HIS 136 -6.727 32.512 -9.535 2166 HD2 HIS 136 HD2 HIS 136 -3.747 34.983 -7.996 2167 HE1 HIS 136 HE1 HIS 136 -6.688 34.547 -11.019 2168 HE2 HIS 136 HE2 HIS 136 -4.951 36.074 -10.007 2169 H HIS 137 H HIS 137 -2.512 29.971 -7.021 2170 HA HIS 137 HA HIS 137 -1.006 30.432 -9.497 2171 1HB HIS 137 2HB HIS 137 -0.338 32.193 -7.948 2172 2HB HIS 137 3HB HIS 137 -0.063 31.012 -6.676 2173 HD1 HIS 137 HD1 HIS 137 2.387 31.689 -6.398 2174 HD2 HIS 137 HD2 HIS 137 1.439 30.381 -10.232 2175 HE1 HIS 137 HE1 HIS 137 4.593 31.332 -7.564 2176 HE2 HIS 137 HE2 HIS 137 3.983 30.754 -9.942 Start of MODEL 8 1 1H ALA 1 H1 ALA 1 -24.526 -7.216 13.165 2 2H ALA 1 H2 ALA 1 -24.015 -8.812 12.909 3 3H ALA 1 H3 ALA 1 -24.218 -8.232 14.488 4 HA ALA 1 HA ALA 1 -21.996 -7.954 12.689 5 1HB ALA 1 1HB ALA 1 -23.055 -5.569 14.194 6 2HB ALA 1 2HB ALA 1 -21.400 -5.696 13.596 7 3HB ALA 1 3HB ALA 1 -22.751 -5.704 12.461 8 H ASP 2 H ASP 2 -21.416 -9.775 13.943 9 HA ASP 2 HA ASP 2 -20.386 -9.063 16.606 10 1HB ASP 2 2HB ASP 2 -22.339 -11.193 15.954 11 2HB ASP 2 3HB ASP 2 -21.056 -11.591 17.090 12 H MET 3 H MET 3 -19.805 -10.287 13.581 13 HA MET 3 HA MET 3 -17.919 -12.336 14.321 14 1HB MET 3 2HB MET 3 -19.270 -11.572 11.980 15 2HB MET 3 3HB MET 3 -17.558 -11.380 11.635 16 1HG MET 3 2HG MET 3 -18.365 -13.588 11.009 17 2HG MET 3 3HG MET 3 -17.139 -13.675 12.271 18 1HE MET 3 1HE MET 3 -20.779 -12.665 12.286 19 2HE MET 3 2HE MET 3 -21.164 -14.252 11.619 20 3HE MET 3 3HE MET 3 -21.602 -13.865 13.284 21 H GLY 4 H GLY 4 -17.692 -9.221 14.853 22 1HA GLY 4 1HA GLY 4 -15.378 -8.249 13.656 23 2HA GLY 4 2HA GLY 4 -15.960 -7.769 15.242 24 H GLU 5 H GLU 5 -15.728 -10.455 16.326 25 HA GLU 5 HA GLU 5 -12.971 -10.348 17.129 26 1HB GLU 5 2HB GLU 5 -14.856 -12.608 17.743 27 2HB GLU 5 3HB GLU 5 -13.509 -12.016 18.702 28 1HG GLU 5 2HG GLU 5 -15.161 -9.830 18.551 29 2HG GLU 5 3HG GLU 5 -16.290 -11.180 18.667 30 H LYS 6 H LYS 6 -14.914 -12.306 14.972 31 HA LYS 6 HA LYS 6 -13.192 -14.492 14.803 32 1HB LYS 6 2HB LYS 6 -15.411 -13.472 13.053 33 2HB LYS 6 3HB LYS 6 -14.503 -14.918 12.630 34 1HG LYS 6 2HG LYS 6 -15.464 -14.923 15.380 35 2HG LYS 6 3HG LYS 6 -16.755 -14.839 14.178 36 1HD LYS 6 2HD LYS 6 -15.504 -16.750 13.005 37 2HD LYS 6 3HD LYS 6 -14.642 -16.941 14.532 38 1HE LYS 6 2HE LYS 6 -16.771 -17.269 15.689 39 2HE LYS 6 3HE LYS 6 -17.632 -17.068 14.163 40 1HZ LYS 6 HZ1 LYS 6 -15.566 -19.153 14.536 41 2HZ LYS 6 HZ2 LYS 6 -17.197 -19.425 14.926 42 3HZ LYS 6 HZ3 LYS 6 -16.753 -19.052 13.329 43 H PHE 7 H PHE 7 -13.711 -11.930 12.335 44 HA PHE 7 HA PHE 7 -11.634 -13.017 10.756 45 1HB PHE 7 2HB PHE 7 -11.824 -10.732 9.512 46 2HB PHE 7 3HB PHE 7 -13.115 -11.914 9.404 47 HD1 PHE 7 HD1 PHE 7 -12.158 -9.086 11.667 48 HD2 PHE 7 HD2 PHE 7 -15.212 -11.073 9.470 49 HE1 PHE 7 HE1 PHE 7 -13.766 -7.357 12.345 50 HE2 PHE 7 HE2 PHE 7 -16.829 -9.350 10.150 51 HZ PHE 7 HZ PHE 7 -16.104 -7.487 11.587 52 H ASP 8 H ASP 8 -11.692 -10.442 13.107 53 HA ASP 8 HA ASP 8 -9.316 -9.132 12.529 54 1HB ASP 8 2HB ASP 8 -10.682 -8.218 14.256 55 2HB ASP 8 3HB ASP 8 -10.601 -9.701 15.204 56 H ALA 9 H ALA 9 -9.687 -11.831 14.839 57 HA ALA 9 HA ALA 9 -6.983 -12.175 15.387 58 1HB ALA 9 1HB ALA 9 -9.383 -13.386 16.142 59 2HB ALA 9 2HB ALA 9 -8.384 -14.686 15.493 60 3HB ALA 9 3HB ALA 9 -7.778 -13.682 16.808 61 H THR 10 H THR 10 -9.003 -13.803 12.933 62 HA THR 10 HA THR 10 -6.946 -15.508 12.028 63 HB THR 10 HB THR 10 -9.196 -14.656 10.243 64 HG1 THR 10 HG1 THR 10 -10.408 -15.033 12.013 65 1HG2 THR 10 1HG2 THR 10 -7.317 -16.862 10.458 66 2HG2 THR 10 2HG2 THR 10 -8.987 -17.423 10.377 67 3HG2 THR 10 3HG2 THR 10 -8.344 -16.389 9.103 68 H PHE 11 H PHE 11 -8.131 -12.361 10.817 69 HA PHE 11 HA PHE 11 -6.526 -12.116 8.557 70 1HB PHE 11 2HB PHE 11 -8.347 -10.514 9.705 71 2HB PHE 11 3HB PHE 11 -6.894 -9.694 10.262 72 HD1 PHE 11 HD1 PHE 11 -5.089 -9.879 8.014 73 HD2 PHE 11 HD2 PHE 11 -9.299 -9.226 8.054 74 HE1 PHE 11 HE1 PHE 11 -4.930 -8.707 5.852 75 HE2 PHE 11 HE2 PHE 11 -9.143 -8.059 5.896 76 HZ PHE 11 HZ PHE 11 -6.960 -7.798 4.792 77 H LYS 12 H LYS 12 -5.829 -11.365 11.915 78 HA LYS 12 HA LYS 12 -3.219 -10.340 11.546 79 1HB LYS 12 2HB LYS 12 -4.907 -10.350 13.599 80 2HB LYS 12 3HB LYS 12 -3.953 -11.753 14.051 81 1HG LYS 12 2HG LYS 12 -2.698 -10.212 15.095 82 2HG LYS 12 3HG LYS 12 -1.977 -10.028 13.493 83 1HD LYS 12 2HD LYS 12 -2.525 -7.855 14.422 84 2HD LYS 12 3HD LYS 12 -3.545 -8.192 13.021 85 1HE LYS 12 2HE LYS 12 -5.026 -9.203 15.094 86 2HE LYS 12 3HE LYS 12 -4.271 -7.786 15.824 87 1HZ LYS 12 HZ1 LYS 12 -5.307 -7.264 13.209 88 2HZ LYS 12 HZ2 LYS 12 -6.513 -7.785 14.281 89 3HZ LYS 12 HZ3 LYS 12 -5.568 -6.434 14.661 90 H ALA 13 H ALA 13 -4.476 -13.577 11.697 91 HA ALA 13 HA ALA 13 -2.000 -14.845 12.380 92 1HB ALA 13 1HB ALA 13 -4.510 -15.980 11.142 93 2HB ALA 13 2HB ALA 13 -3.154 -16.926 11.758 94 3HB ALA 13 3HB ALA 13 -4.112 -15.940 12.862 95 H GLN 14 H GLN 14 -3.803 -14.320 9.383 96 HA GLN 14 HA GLN 14 -1.888 -15.634 7.723 97 1HB GLN 14 2HB GLN 14 -4.189 -13.776 7.151 98 2HB GLN 14 3HB GLN 14 -3.146 -14.390 5.876 99 1HG GLN 14 2HG GLN 14 -3.763 -16.698 7.069 100 2HG GLN 14 3HG GLN 14 -5.207 -15.770 7.472 101 1HE2 GLN 14 1HE2 GLN 14 -6.500 -14.957 5.774 102 2HE2 GLN 14 2HE2 GLN 14 -6.455 -15.682 4.204 103 H VAL 15 H VAL 15 -2.675 -12.225 8.296 104 HA VAL 15 HA VAL 15 -0.755 -11.232 6.522 105 HB VAL 15 HB VAL 15 -2.782 -10.157 8.183 106 1HG1 VAL 15 1HG1 VAL 15 -0.097 -8.898 8.609 107 2HG1 VAL 15 2HG1 VAL 15 -1.579 -7.941 8.681 108 3HG1 VAL 15 3HG1 VAL 15 -1.348 -9.290 9.792 109 1HG2 VAL 15 1HG2 VAL 15 -1.384 -9.564 5.706 110 2HG2 VAL 15 2HG2 VAL 15 -3.077 -9.329 6.133 111 3HG2 VAL 15 3HG2 VAL 15 -1.881 -8.107 6.566 112 H LYS 16 H LYS 16 -0.486 -11.937 9.975 113 HA LYS 16 HA LYS 16 1.895 -10.479 10.405 114 1HB LYS 16 2HB LYS 16 0.369 -12.527 11.877 115 2HB LYS 16 3HB LYS 16 2.084 -12.444 12.259 116 1HG LYS 16 2HG LYS 16 1.009 -9.800 12.190 117 2HG LYS 16 3HG LYS 16 0.004 -10.816 13.224 118 1HD LYS 16 2HD LYS 16 2.980 -10.909 13.479 119 2HD LYS 16 3HD LYS 16 2.076 -9.588 14.221 120 1HE LYS 16 2HE LYS 16 1.483 -10.894 15.919 121 2HE LYS 16 3HE LYS 16 0.793 -12.080 14.811 122 1HZ LYS 16 HZ1 LYS 16 3.699 -11.942 15.361 123 2HZ LYS 16 HZ2 LYS 16 2.647 -12.862 16.320 124 3HZ LYS 16 HZ3 LYS 16 2.820 -13.219 14.671 125 H ALA 17 H ALA 17 1.285 -13.610 9.044 126 HA ALA 17 HA ALA 17 3.825 -14.776 9.319 127 1HB ALA 17 1HB ALA 17 1.484 -15.184 7.547 128 2HB ALA 17 2HB ALA 17 3.021 -15.886 7.042 129 3HB ALA 17 3HB ALA 17 2.321 -16.322 8.602 130 H ALA 18 H ALA 18 2.646 -12.274 7.247 131 HA ALA 18 HA ALA 18 4.600 -12.439 5.207 132 1HB ALA 18 1HB ALA 18 2.305 -11.122 5.398 133 2HB ALA 18 2HB ALA 18 3.398 -9.814 5.848 134 3HB ALA 18 3HB ALA 18 3.588 -10.629 4.296 135 H LYS 19 H LYS 19 4.575 -10.906 8.369 136 HA LYS 19 HA LYS 19 6.978 -9.376 7.899 137 1HB LYS 19 2HB LYS 19 5.915 -8.248 9.538 138 2HB LYS 19 3HB LYS 19 4.956 -9.643 9.999 139 1HG LYS 19 2HG LYS 19 6.480 -10.342 11.578 140 2HG LYS 19 3HG LYS 19 7.829 -9.512 10.801 141 1HD LYS 19 2HD LYS 19 7.176 -7.425 11.634 142 2HD LYS 19 3HD LYS 19 5.541 -7.980 11.997 143 1HE LYS 19 2HE LYS 19 6.217 -8.300 14.093 144 2HE LYS 19 3HE LYS 19 7.189 -9.642 13.494 145 1HZ LYS 19 HZ1 LYS 19 8.293 -6.914 13.365 146 2HZ LYS 19 HZ2 LYS 19 8.282 -7.735 14.853 147 3HZ LYS 19 HZ3 LYS 19 9.095 -8.404 13.529 148 H ALA 20 H ALA 20 6.100 -12.520 8.886 149 HA ALA 20 HA ALA 20 8.587 -13.097 10.268 150 1HB ALA 20 1HB ALA 20 5.984 -14.194 10.258 151 2HB ALA 20 2HB ALA 20 7.095 -15.468 9.756 152 3HB ALA 20 3HB ALA 20 7.349 -14.627 11.287 153 H ASP 21 H ASP 21 7.344 -13.387 7.086 154 HA ASP 21 HA ASP 21 8.633 -15.669 6.183 155 1HB ASP 21 2HB ASP 21 6.919 -13.883 5.076 156 2HB ASP 21 3HB ASP 21 8.399 -13.488 4.209 157 H MET 22 H MET 22 9.893 -12.409 6.484 158 HA MET 22 HA MET 22 12.468 -13.396 5.452 159 1HB MET 22 2HB MET 22 12.832 -10.953 4.749 160 2HB MET 22 3HB MET 22 11.741 -11.936 3.782 161 1HG MET 22 2HG MET 22 9.873 -10.942 5.215 162 2HG MET 22 3HG MET 22 11.075 -9.761 5.732 163 1HE MET 22 1HE MET 22 12.558 -8.387 3.841 164 2HE MET 22 2HE MET 22 12.747 -9.831 2.845 165 3HE MET 22 3HE MET 22 12.110 -8.345 2.135 166 H VAL 23 H VAL 23 14.248 -11.648 6.026 167 HA VAL 23 HA VAL 23 14.521 -11.771 8.863 168 HB VAL 23 HB VAL 23 16.281 -10.364 6.843 169 1HG1 VAL 23 1HG1 VAL 23 16.414 -10.660 9.744 170 2HG1 VAL 23 2HG1 VAL 23 17.884 -11.171 8.912 171 3HG1 VAL 23 3HG1 VAL 23 17.259 -9.539 8.676 172 1HG2 VAL 23 1HG2 VAL 23 15.876 -12.872 6.555 173 2HG2 VAL 23 2HG2 VAL 23 17.549 -12.323 6.644 174 3HG2 VAL 23 3HG2 VAL 23 16.787 -13.063 8.052 175 H MET 24 H MET 24 13.507 -10.420 10.158 176 HA MET 24 HA MET 24 12.668 -7.805 9.315 177 1HB MET 24 2HB MET 24 12.327 -9.477 11.764 178 2HB MET 24 3HB MET 24 12.050 -7.744 11.888 179 1HG MET 24 2HG MET 24 10.739 -9.061 9.615 180 2HG MET 24 3HG MET 24 10.168 -9.551 11.209 181 1HE MET 24 1HE MET 24 10.128 -7.531 8.442 182 2HE MET 24 2HE MET 24 8.525 -6.850 8.722 183 3HE MET 24 3HE MET 24 9.957 -5.834 8.886 184 H LEU 25 H LEU 25 14.203 -6.293 9.115 185 HA LEU 25 HA LEU 25 16.160 -6.007 11.293 186 1HB LEU 25 2HB LEU 25 16.411 -5.997 8.423 187 2HB LEU 25 3HB LEU 25 16.947 -4.461 9.074 188 HG LEU 25 HG LEU 25 18.172 -7.145 9.302 189 1HD1 LEU 25 1HD1 LEU 25 18.930 -4.365 8.720 190 2HD1 LEU 25 2HD1 LEU 25 20.128 -5.312 9.603 191 3HD1 LEU 25 3HD1 LEU 25 19.535 -5.877 8.042 192 1HD2 LEU 25 1HD2 LEU 25 17.714 -5.434 11.633 193 2HD2 LEU 25 2HD2 LEU 25 18.188 -7.130 11.543 194 3HD2 LEU 25 3HD2 LEU 25 19.403 -5.864 11.371 195 H SER 26 H SER 26 16.382 -4.077 12.290 196 HA SER 26 HA SER 26 14.239 -2.176 12.028 197 1HB SER 26 2HB SER 26 16.182 -1.080 13.710 198 2HB SER 26 3HB SER 26 14.771 -2.011 14.212 199 HG SER 26 HG SER 26 16.030 -3.894 14.135 200 HA PRO 27 HA PRO 27 15.839 0.513 8.959 201 1HB PRO 27 2HB PRO 27 15.305 2.954 10.260 202 2HB PRO 27 3HB PRO 27 14.233 2.085 9.159 203 1HG PRO 27 2HG PRO 27 14.295 2.085 12.140 204 2HG PRO 27 3HG PRO 27 12.904 2.009 11.042 205 1HD PRO 27 2HD PRO 27 13.732 -0.174 12.301 206 2HD PRO 27 3HD PRO 27 13.226 -0.263 10.601 207 H LYS 28 H LYS 28 16.987 0.892 12.253 208 HA LYS 28 HA LYS 28 19.146 2.660 11.584 209 1HB LYS 28 2HB LYS 28 18.969 0.890 14.017 210 2HB LYS 28 3HB LYS 28 19.851 2.402 13.842 211 1HG LYS 28 2HG LYS 28 17.946 3.691 14.035 212 2HG LYS 28 3HG LYS 28 16.880 2.374 13.543 213 1HD LYS 28 2HD LYS 28 18.278 1.613 15.918 214 2HD LYS 28 3HD LYS 28 17.544 3.200 16.161 215 1HE LYS 28 2HE LYS 28 15.550 1.786 14.901 216 2HE LYS 28 3HE LYS 28 16.299 0.569 15.931 217 1HZ LYS 28 HZ1 LYS 28 16.108 2.568 17.653 218 2HZ LYS 28 HZ2 LYS 28 14.787 2.952 16.658 219 3HZ LYS 28 HZ3 LYS 28 14.867 1.437 17.422 220 H ASP 29 H ASP 29 18.784 -0.809 12.155 221 HA ASP 29 HA ASP 29 21.549 -1.425 11.706 222 1HB ASP 29 2HB ASP 29 19.208 -2.847 12.547 223 2HB ASP 29 3HB ASP 29 19.950 -3.720 11.206 224 H ALA 30 H ALA 30 18.710 -1.111 9.794 225 HA ALA 30 HA ALA 30 19.690 -2.458 7.473 226 1HB ALA 30 1HB ALA 30 17.255 -2.002 8.035 227 2HB ALA 30 2HB ALA 30 17.545 -0.357 7.465 228 3HB ALA 30 3HB ALA 30 17.757 -1.721 6.365 229 H TYR 31 H TYR 31 19.482 0.952 8.471 230 HA TYR 31 HA TYR 31 20.629 1.971 6.091 231 1HB TYR 31 HB2 TYR 31 19.336 3.432 7.518 232 2HB TYR 31 HB3 TYR 31 20.450 3.176 8.856 233 HD1 TYR 31 HD1 TYR 31 20.405 4.406 5.340 234 HD2 TYR 31 HD2 TYR 31 22.154 4.723 9.205 235 HE1 TYR 31 HE1 TYR 31 21.745 6.310 4.565 236 HE2 TYR 31 HE2 TYR 31 23.506 6.630 8.442 237 HH TYR 31 HH TYR 31 24.350 7.606 6.423 238 H LYS 32 H LYS 32 21.976 0.748 9.077 239 HA LYS 32 HA LYS 32 24.553 1.780 8.939 240 1HB LYS 32 2HB LYS 32 23.399 0.330 10.763 241 2HB LYS 32 3HB LYS 32 24.051 -1.031 9.861 242 1HG LYS 32 2HG LYS 32 25.547 -0.492 11.647 243 2HG LYS 32 3HG LYS 32 26.313 -0.067 10.117 244 1HD LYS 32 2HD LYS 32 25.172 2.280 10.662 245 2HD LYS 32 3HD LYS 32 25.341 1.677 12.311 246 1HE LYS 32 2HE LYS 32 27.650 1.624 12.195 247 2HE LYS 32 3HE LYS 32 27.661 1.542 10.434 248 1HZ LYS 32 HZ1 LYS 32 26.571 3.913 10.729 249 2HZ LYS 32 HZ2 LYS 32 27.430 3.868 12.192 250 3HZ LYS 32 HZ3 LYS 32 28.255 3.698 10.719 251 H LEU 33 H LEU 33 23.330 -1.288 7.573 252 HA LEU 33 HA LEU 33 25.813 -1.831 6.241 253 1HB LEU 33 2HB LEU 33 24.287 -3.510 4.956 254 2HB LEU 33 3HB LEU 33 24.716 -3.805 6.629 255 HG LEU 33 HG LEU 33 22.378 -2.433 6.918 256 1HD1 LEU 33 1HD1 LEU 33 22.248 -2.676 4.321 257 2HD1 LEU 33 2HD1 LEU 33 21.759 -4.330 4.698 258 3HD1 LEU 33 3HD1 LEU 33 20.814 -2.970 5.312 259 1HD2 LEU 33 1HD2 LEU 33 23.323 -4.768 7.728 260 2HD2 LEU 33 2HD2 LEU 33 21.606 -4.371 7.831 261 3HD2 LEU 33 3HD2 LEU 33 22.204 -5.366 6.501 262 H LEU 34 H LEU 34 22.908 -0.115 5.490 263 HA LEU 34 HA LEU 34 23.100 -0.082 2.673 264 1HB LEU 34 2HB LEU 34 21.647 1.407 4.749 265 2HB LEU 34 3HB LEU 34 21.930 2.303 3.270 266 HG LEU 34 HG LEU 34 20.739 -0.441 3.152 267 1HD1 LEU 34 1HD1 LEU 34 19.296 2.138 3.745 268 2HD1 LEU 34 2HD1 LEU 34 18.506 0.667 3.177 269 3HD1 LEU 34 3HD1 LEU 34 19.333 0.680 4.736 270 1HD2 LEU 34 1HD2 LEU 34 21.050 1.916 1.387 271 2HD2 LEU 34 2HD2 LEU 34 21.132 0.196 1.010 272 3HD2 LEU 34 3HD2 LEU 34 19.565 0.977 1.229 273 H GLN 35 H GLN 35 24.233 2.217 5.134 274 HA GLN 35 HA GLN 35 25.360 3.982 3.201 275 1HB GLN 35 2HB GLN 35 26.275 5.193 5.137 276 2HB GLN 35 3HB GLN 35 24.565 4.839 5.327 277 1HG GLN 35 2HG GLN 35 25.024 3.973 7.303 278 2HG GLN 35 3HG GLN 35 25.908 2.684 6.488 279 1HE2 GLN 35 1HE2 GLN 35 27.909 2.422 7.144 280 2HE2 GLN 35 2HE2 GLN 35 28.944 3.654 7.786 281 H GLU 36 H GLU 36 26.541 1.171 4.809 282 HA GLU 36 HA GLU 36 29.308 1.898 4.270 283 1HB GLU 36 2HB GLU 36 29.884 0.477 5.923 284 2HB GLU 36 3HB GLU 36 28.191 0.619 6.367 285 1HG GLU 36 2HG GLU 36 27.788 -1.525 5.935 286 2HG GLU 36 3HG GLU 36 28.661 -1.472 4.403 287 H ASN 37 H ASN 37 26.797 -0.158 3.038 288 HA ASN 37 HA ASN 37 28.696 -1.338 1.118 289 1HB ASN 37 2HB ASN 37 26.313 -2.392 2.513 290 2HB ASN 37 3HB ASN 37 26.425 -2.803 0.805 291 1HD2 ASN 37 1HD2 ASN 37 27.529 -3.433 3.939 292 2HD2 ASN 37 2HD2 ASN 37 28.703 -4.645 3.548 293 HA PRO 38 HA PRO 38 26.429 1.398 -1.691 294 1HB PRO 38 2HB PRO 38 28.478 0.641 -3.618 295 2HB PRO 38 3HB PRO 38 28.139 2.228 -2.925 296 1HG PRO 38 2HG PRO 38 30.379 0.818 -2.338 297 2HG PRO 38 3HG PRO 38 29.610 1.927 -1.189 298 1HD PRO 38 2HD PRO 38 29.440 -1.062 -1.342 299 2HD PRO 38 3HD PRO 38 29.617 -0.016 0.085 300 H ASP 39 H ASP 39 26.822 -1.870 -1.574 301 HA ASP 39 HA ASP 39 25.589 -2.398 -4.175 302 1HB ASP 39 2HB ASP 39 27.686 -3.647 -3.235 303 2HB ASP 39 3HB ASP 39 26.510 -4.540 -2.278 304 H ILE 40 H ILE 40 25.000 -2.453 -0.768 305 HA ILE 40 HA ILE 40 22.538 -3.959 -1.001 306 HB ILE 40 HB ILE 40 23.568 -2.360 1.354 307 1HG1 ILE 40 2HG1 ILE 40 23.761 -5.314 0.706 308 2HG1 ILE 40 3HG1 ILE 40 25.099 -4.177 0.825 309 1HG2 ILE 40 1HG2 ILE 40 21.302 -4.327 1.061 310 2HG2 ILE 40 2HG2 ILE 40 21.951 -3.807 2.616 311 3HG2 ILE 40 3HG2 ILE 40 21.205 -2.631 1.535 312 1HD1 ILE 40 1HD1 ILE 40 23.332 -4.619 3.184 313 2HD1 ILE 40 2HD1 ILE 40 24.579 -5.800 2.780 314 3HD1 ILE 40 3HD1 ILE 40 25.024 -4.127 3.119 315 H THR 41 H THR 41 20.854 -3.049 -1.893 316 HA THR 41 HA THR 41 20.562 -0.132 -1.751 317 HB THR 41 HB THR 41 18.622 -1.322 -3.483 318 HG1 THR 41 HG1 THR 41 21.241 -2.361 -3.647 319 1HG2 THR 41 1HG2 THR 41 19.591 0.967 -3.599 320 2HG2 THR 41 2HG2 THR 41 21.101 0.254 -4.170 321 3HG2 THR 41 3HG2 THR 41 19.632 0.103 -5.137 322 H LEU 42 H LEU 42 18.669 0.841 -1.025 323 HA LEU 42 HA LEU 42 16.864 -0.915 0.478 324 1HB LEU 42 2HB LEU 42 17.732 0.927 1.785 325 2HB LEU 42 3HB LEU 42 17.262 2.082 0.553 326 HG LEU 42 HG LEU 42 14.857 1.360 1.020 327 1HD1 LEU 42 1HD1 LEU 42 16.268 -0.397 2.793 328 2HD1 LEU 42 2HD1 LEU 42 15.172 0.643 3.703 329 3HD1 LEU 42 3HD1 LEU 42 14.552 -0.354 2.388 330 1HD2 LEU 42 1HD2 LEU 42 16.131 3.444 1.879 331 2HD2 LEU 42 2HD2 LEU 42 14.601 2.999 2.637 332 3HD2 LEU 42 3HD2 LEU 42 16.126 2.601 3.430 333 H ILE 43 H ILE 43 15.000 -1.449 -0.414 334 HA ILE 43 HA ILE 43 13.949 0.236 -2.580 335 HB ILE 43 HB ILE 43 13.401 -2.659 -1.903 336 1HG1 ILE 43 2HG1 ILE 43 14.526 -1.353 -4.389 337 2HG1 ILE 43 3HG1 ILE 43 15.496 -2.121 -3.136 338 1HG2 ILE 43 1HG2 ILE 43 11.435 -1.093 -2.741 339 2HG2 ILE 43 2HG2 ILE 43 12.202 -1.374 -4.306 340 3HG2 ILE 43 3HG2 ILE 43 11.628 -2.740 -3.345 341 1HD1 ILE 43 1HD1 ILE 43 13.400 -3.562 -4.740 342 2HD1 ILE 43 2HD1 ILE 43 15.113 -3.522 -5.154 343 3HD1 ILE 43 3HD1 ILE 43 14.589 -4.268 -3.644 344 H ASP 44 H ASP 44 12.547 1.653 -1.859 345 HA ASP 44 HA ASP 44 10.915 0.930 0.467 346 1HB ASP 44 2HB ASP 44 11.761 2.904 1.171 347 2HB ASP 44 3HB ASP 44 12.165 3.423 -0.459 348 H VAL 45 H VAL 45 8.754 1.048 0.458 349 HA VAL 45 HA VAL 45 7.454 1.714 -2.093 350 HB VAL 45 HB VAL 45 5.711 -0.062 -0.890 351 1HG1 VAL 45 1HG1 VAL 45 6.461 0.238 -3.310 352 2HG1 VAL 45 2HG1 VAL 45 7.738 -0.918 -2.930 353 3HG1 VAL 45 3HG1 VAL 45 6.046 -1.393 -2.785 354 1HG2 VAL 45 1HG2 VAL 45 8.527 -1.088 -0.561 355 2HG2 VAL 45 2HG2 VAL 45 7.320 -0.851 0.703 356 3HG2 VAL 45 3HG2 VAL 45 7.085 -2.103 -0.515 357 H ARG 46 H ARG 46 6.748 3.670 -1.548 358 HA ARG 46 HA ARG 46 4.662 3.823 0.465 359 1HB ARG 46 2HB ARG 46 7.258 4.963 0.832 360 2HB ARG 46 3HB ARG 46 6.108 6.272 0.599 361 1HG ARG 46 2HG ARG 46 6.231 4.229 2.771 362 2HG ARG 46 3HG ARG 46 6.091 5.983 2.884 363 1HD ARG 46 2HD ARG 46 3.822 5.061 1.479 364 2HD ARG 46 3HD ARG 46 4.024 4.007 2.880 365 HE ARG 46 HE ARG 46 4.334 6.517 3.897 366 1HH1 ARG 46 1HH1 ARG 46 1.795 5.041 1.939 367 2HH1 ARG 46 2HH1 ARG 46 0.546 6.000 2.660 368 1HH2 ARG 46 1HH2 ARG 46 2.669 7.729 4.832 369 2HH2 ARG 46 2HH2 ARG 46 1.023 7.539 4.255 370 H ASP 47 H ASP 47 3.166 5.436 0.059 371 HA ASP 47 HA ASP 47 2.715 5.881 -2.671 372 1HB ASP 47 2HB ASP 47 1.329 7.164 -0.305 373 2HB ASP 47 3HB ASP 47 0.691 7.032 -1.945 374 HA PRO 48 HA PRO 48 5.073 9.250 -3.761 375 1HB PRO 48 2HB PRO 48 3.254 10.551 -5.459 376 2HB PRO 48 3HB PRO 48 4.391 9.277 -5.906 377 1HG PRO 48 2HG PRO 48 1.495 9.085 -5.236 378 2HG PRO 48 3HG PRO 48 2.443 8.158 -6.414 379 1HD PRO 48 2HD PRO 48 1.713 7.075 -4.090 380 2HD PRO 48 3HD PRO 48 3.316 6.747 -4.783 381 H ASP 49 H ASP 49 1.885 10.072 -2.475 382 HA ASP 49 HA ASP 49 2.433 12.863 -2.454 383 1HB ASP 49 2HB ASP 49 0.147 11.433 -2.188 384 2HB ASP 49 3HB ASP 49 0.437 11.931 -0.519 385 H GLU 50 H GLU 50 2.617 10.350 0.069 386 HA GLU 50 HA GLU 50 3.385 12.154 2.117 387 1HB GLU 50 2HB GLU 50 2.579 9.860 2.607 388 2HB GLU 50 3HB GLU 50 4.057 9.209 1.903 389 1HG GLU 50 2HG GLU 50 5.299 10.630 3.611 390 2HG GLU 50 3HG GLU 50 3.741 10.830 4.407 391 H LEU 51 H LEU 51 5.083 10.386 -0.362 392 HA LEU 51 HA LEU 51 7.739 10.780 0.443 393 1HB LEU 51 2HB LEU 51 6.356 9.820 -1.845 394 2HB LEU 51 3HB LEU 51 7.515 11.012 -2.398 395 HG LEU 51 HG LEU 51 9.222 9.677 -0.968 396 1HD1 LEU 51 1HD1 LEU 51 6.865 8.124 -0.571 397 2HD1 LEU 51 2HD1 LEU 51 8.037 7.165 -1.475 398 3HD1 LEU 51 3HD1 LEU 51 8.483 7.871 0.080 399 1HD2 LEU 51 1HD2 LEU 51 9.018 9.859 -3.493 400 2HD2 LEU 51 2HD2 LEU 51 9.844 8.436 -2.864 401 3HD2 LEU 51 3HD2 LEU 51 8.180 8.308 -3.431 402 H LYS 52 H LYS 52 5.457 12.879 -1.215 403 HA LYS 52 HA LYS 52 7.406 14.898 -1.816 404 1HB LYS 52 2HB LYS 52 4.429 14.649 -2.079 405 2HB LYS 52 3HB LYS 52 5.183 16.229 -2.236 406 1HG LYS 52 2HG LYS 52 6.035 15.765 -4.262 407 2HG LYS 52 3HG LYS 52 6.414 14.094 -3.838 408 1HD LYS 52 2HD LYS 52 4.705 14.170 -5.573 409 2HD LYS 52 3HD LYS 52 4.042 13.506 -4.080 410 1HE LYS 52 2HE LYS 52 3.203 15.836 -3.569 411 2HE LYS 52 3HE LYS 52 3.639 16.262 -5.223 412 1HZ LYS 52 HZ1 LYS 52 2.188 14.284 -5.873 413 2HZ LYS 52 HZ2 LYS 52 1.559 14.373 -4.296 414 3HZ LYS 52 HZ3 LYS 52 1.407 15.694 -5.347 415 H ALA 53 H ALA 53 4.808 14.471 0.546 416 HA ALA 53 HA ALA 53 5.240 17.106 1.603 417 1HB ALA 53 1HB ALA 53 3.002 16.000 1.222 418 2HB ALA 53 2HB ALA 53 3.324 15.060 2.679 419 3HB ALA 53 3HB ALA 53 3.221 16.819 2.768 420 H MET 54 H MET 54 5.475 13.809 3.004 421 HA MET 54 HA MET 54 6.495 15.016 5.455 422 1HB MET 54 2HB MET 54 5.788 12.144 4.831 423 2HB MET 54 3HB MET 54 6.284 12.744 6.407 424 1HG MET 54 2HG MET 54 4.237 14.412 5.885 425 2HG MET 54 3HG MET 54 3.705 12.976 5.013 426 1HE MET 54 1HE MET 54 2.013 11.921 5.911 427 2HE MET 54 2HE MET 54 2.971 10.550 6.471 428 3HE MET 54 3HE MET 54 1.788 11.297 7.544 429 H GLY 55 H GLY 55 7.591 12.929 2.850 430 1HA GLY 55 1HA GLY 55 9.978 13.447 2.327 431 2HA GLY 55 2HA GLY 55 10.296 13.082 4.013 432 H LYS 56 H LYS 56 11.760 11.834 2.223 433 HA LYS 56 HA LYS 56 10.926 9.046 2.492 434 1HB LYS 56 2HB LYS 56 11.953 8.705 0.122 435 2HB LYS 56 3HB LYS 56 10.301 9.292 0.253 436 1HG LYS 56 2HG LYS 56 10.831 11.383 -0.500 437 2HG LYS 56 3HG LYS 56 12.499 11.289 0.070 438 1HD LYS 56 2HD LYS 56 12.670 9.395 -1.739 439 2HD LYS 56 3HD LYS 56 11.278 10.224 -2.435 440 1HE LYS 56 2HE LYS 56 13.407 12.043 -1.646 441 2HE LYS 56 3HE LYS 56 13.926 10.863 -2.849 442 1HZ LYS 56 HZ1 LYS 56 11.407 12.356 -3.209 443 2HZ LYS 56 HZ2 LYS 56 12.886 13.062 -3.629 444 3HZ LYS 56 HZ3 LYS 56 12.392 11.621 -4.380 445 HA PRO 57 HA PRO 57 15.056 8.452 3.837 446 1HB PRO 57 2HB PRO 57 15.960 6.252 2.426 447 2HB PRO 57 3HB PRO 57 14.967 6.189 3.886 448 1HG PRO 57 2HG PRO 57 14.154 5.915 1.029 449 2HG PRO 57 3HG PRO 57 13.520 5.088 2.462 450 1HD PRO 57 2HD PRO 57 12.203 7.120 1.254 451 2HD PRO 57 3HD PRO 57 12.115 6.835 3.004 452 H ASP 58 H ASP 58 16.897 9.442 3.449 453 HA ASP 58 HA ASP 58 17.667 9.980 0.660 454 1HB ASP 58 2HB ASP 58 17.192 11.993 1.943 455 2HB ASP 58 3HB ASP 58 18.295 11.480 3.213 456 H VAL 59 H VAL 59 18.629 7.838 0.611 457 HA VAL 59 HA VAL 59 21.252 7.794 1.937 458 HB VAL 59 HB VAL 59 21.201 5.455 2.164 459 1HG1 VAL 59 1HG1 VAL 59 19.744 6.718 3.747 460 2HG1 VAL 59 2HG1 VAL 59 18.362 6.270 2.743 461 3HG1 VAL 59 3HG1 VAL 59 19.310 5.019 3.548 462 1HG2 VAL 59 1HG2 VAL 59 20.227 5.053 -0.123 463 2HG2 VAL 59 2HG2 VAL 59 19.676 3.957 1.143 464 3HG2 VAL 59 3HG2 VAL 59 18.635 5.274 0.602 465 H LYS 60 H LYS 60 22.862 6.440 0.729 466 HA LYS 60 HA LYS 60 23.246 7.611 -1.783 467 1HB LYS 60 2HB LYS 60 24.665 5.171 -0.721 468 2HB LYS 60 3HB LYS 60 25.257 6.300 -1.931 469 1HG LYS 60 2HG LYS 60 26.209 7.500 -0.340 470 2HG LYS 60 3HG LYS 60 24.627 7.794 0.389 471 1HD LYS 60 2HD LYS 60 26.100 6.807 2.030 472 2HD LYS 60 3HD LYS 60 24.833 5.653 1.609 473 1HE LYS 60 2HE LYS 60 26.907 4.469 1.701 474 2HE LYS 60 3HE LYS 60 26.422 4.593 0.011 475 1HZ LYS 60 HZ1 LYS 60 28.335 6.466 1.293 476 2HZ LYS 60 HZ2 LYS 60 28.817 5.059 0.473 477 3HZ LYS 60 HZ3 LYS 60 28.006 6.291 -0.365 478 H ASN 61 H ASN 61 22.184 4.322 -0.932 479 HA ASN 61 HA ASN 61 21.523 3.966 -3.776 480 1HB ASN 61 2HB ASN 61 21.794 1.424 -2.432 481 2HB ASN 61 3HB ASN 61 22.585 2.000 -3.891 482 1HD2 ASN 61 1HD2 ASN 61 23.112 0.795 -0.921 483 2HD2 ASN 61 2HD2 ASN 61 24.703 1.407 -0.629 484 H TYR 62 H TYR 62 19.424 4.746 -3.417 485 HA TYR 62 HA TYR 62 17.671 2.798 -2.084 486 1HB TYR 62 HB2 TYR 62 17.399 4.492 -0.562 487 2HB TYR 62 HB3 TYR 62 17.854 5.740 -1.710 488 HD1 TYR 62 HD1 TYR 62 15.053 3.262 -1.404 489 HD2 TYR 62 HD2 TYR 62 16.223 7.291 -2.078 490 HE1 TYR 62 HE1 TYR 62 12.697 3.893 -1.649 491 HE2 TYR 62 HE2 TYR 62 13.867 7.942 -2.315 492 HH TYR 62 HH TYR 62 11.267 5.823 -1.483 493 H LYS 63 H LYS 63 15.997 2.100 -3.302 494 HA LYS 63 HA LYS 63 15.409 3.584 -5.777 495 1HB LYS 63 2HB LYS 63 14.777 0.709 -5.787 496 2HB LYS 63 3HB LYS 63 15.441 1.723 -7.055 497 1HG LYS 63 2HG LYS 63 17.625 1.625 -5.811 498 2HG LYS 63 3HG LYS 63 16.903 0.337 -4.841 499 1HD LYS 63 2HD LYS 63 16.347 -0.270 -7.531 500 2HD LYS 63 3HD LYS 63 18.042 0.215 -7.476 501 1HE LYS 63 2HE LYS 63 17.408 -1.528 -5.267 502 2HE LYS 63 3HE LYS 63 16.960 -2.279 -6.798 503 1HZ LYS 63 HZ1 LYS 63 19.489 -1.081 -7.084 504 2HZ LYS 63 HZ2 LYS 63 19.512 -2.039 -5.683 505 3HZ LYS 63 HZ3 LYS 63 19.091 -2.725 -7.174 506 H HIS 64 H HIS 64 13.408 4.376 -5.773 507 HA HIS 64 HA HIS 64 11.382 3.254 -3.997 508 1HB HIS 64 2HB HIS 64 11.675 5.740 -4.272 509 2HB HIS 64 3HB HIS 64 11.143 5.563 -5.940 510 HD1 HIS 64 HD1 HIS 64 8.765 6.107 -6.243 511 HD2 HIS 64 HD2 HIS 64 9.519 4.540 -2.466 512 HE1 HIS 64 HE1 HIS 64 6.561 6.180 -5.018 513 HE2 HIS 64 HE2 HIS 64 7.085 5.395 -2.690 514 H MET 65 H MET 65 10.116 1.629 -4.709 515 HA MET 65 HA MET 65 9.877 1.332 -7.631 516 1HB MET 65 2HB MET 65 10.581 -0.504 -5.532 517 2HB MET 65 3HB MET 65 9.151 -1.085 -6.376 518 1HG MET 65 2HG MET 65 10.731 -2.030 -7.685 519 2HG MET 65 3HG MET 65 10.612 -0.471 -8.499 520 1HE MET 65 1HE MET 65 12.105 0.778 -9.087 521 2HE MET 65 2HE MET 65 13.413 1.423 -8.095 522 3HE MET 65 3HE MET 65 13.739 0.130 -9.250 523 H SER 66 H SER 66 8.014 2.538 -7.964 524 HA SER 66 HA SER 66 5.607 1.703 -6.535 525 1HB SER 66 2HB SER 66 5.239 3.868 -8.428 526 2HB SER 66 3HB SER 66 4.963 3.849 -6.687 527 HG SER 66 HG SER 66 6.644 5.331 -7.558 528 H ARG 67 H ARG 67 3.896 0.819 -7.521 529 HA ARG 67 HA ARG 67 3.266 0.814 -10.235 530 1HB ARG 67 2HB ARG 67 5.377 -0.917 -9.795 531 2HB ARG 67 3HB ARG 67 3.981 -1.980 -9.672 532 1HG ARG 67 2HG ARG 67 4.614 -2.068 -11.919 533 2HG ARG 67 3HG ARG 67 3.221 -0.987 -11.882 534 1HD ARG 67 2HD ARG 67 5.960 0.168 -11.644 535 2HD ARG 67 3HD ARG 67 5.385 -0.356 -13.227 536 HE ARG 67 HE ARG 67 4.414 1.892 -11.660 537 1HH1 ARG 67 1HH1 ARG 67 3.962 -0.194 -14.438 538 2HH1 ARG 67 2HH1 ARG 67 2.788 0.844 -15.191 539 1HH2 ARG 67 1HH2 ARG 67 2.888 3.263 -12.636 540 2HH2 ARG 67 2HH2 ARG 67 2.181 2.827 -14.165 541 H GLY 68 H GLY 68 2.230 -2.152 -9.910 542 1HA GLY 68 1HA GLY 68 0.010 -1.486 -8.148 543 2HA GLY 68 2HA GLY 68 0.228 -2.981 -9.066 544 H LYS 69 H LYS 69 2.800 -3.590 -8.401 545 HA LYS 69 HA LYS 69 3.226 -3.407 -5.594 546 1HB LYS 69 2HB LYS 69 1.694 -5.576 -6.306 547 2HB LYS 69 3HB LYS 69 3.318 -6.249 -6.299 548 1HG LYS 69 2HG LYS 69 1.619 -5.794 -4.104 549 2HG LYS 69 3HG LYS 69 3.279 -6.388 -4.090 550 1HD LYS 69 2HD LYS 69 4.106 -4.421 -3.369 551 2HD LYS 69 3HD LYS 69 3.026 -3.476 -4.393 552 1HE LYS 69 2HE LYS 69 1.180 -4.085 -2.765 553 2HE LYS 69 3HE LYS 69 2.450 -4.687 -1.699 554 1HZ LYS 69 HZ1 LYS 69 3.387 -2.267 -2.271 555 2HZ LYS 69 HZ2 LYS 69 1.725 -1.954 -2.368 556 3HZ LYS 69 HZ3 LYS 69 2.392 -2.586 -0.941 557 H LEU 70 H LEU 70 4.646 -2.412 -7.609 558 HA LEU 70 HA LEU 70 6.748 -2.102 -8.334 559 1HB LEU 70 2HB LEU 70 8.265 -2.377 -6.736 560 2HB LEU 70 3HB LEU 70 6.949 -3.056 -5.802 561 HG LEU 70 HG LEU 70 8.103 -5.164 -7.343 562 1HD1 LEU 70 1HD1 LEU 70 10.035 -3.250 -6.128 563 2HD1 LEU 70 2HD1 LEU 70 10.352 -4.980 -5.978 564 3HD1 LEU 70 3HD1 LEU 70 10.189 -4.247 -7.576 565 1HD2 LEU 70 1HD2 LEU 70 7.064 -4.740 -4.834 566 2HD2 LEU 70 2HD2 LEU 70 7.802 -6.235 -5.410 567 3HD2 LEU 70 3HD2 LEU 70 8.767 -5.064 -4.512 568 H GLU 71 H GLU 71 5.283 -5.011 -8.855 569 HA GLU 71 HA GLU 71 7.048 -6.830 -9.676 570 1HB GLU 71 2HB GLU 71 4.916 -6.620 -11.668 571 2HB GLU 71 3HB GLU 71 5.300 -7.926 -10.557 572 1HG GLU 71 2HG GLU 71 3.312 -7.368 -9.674 573 2HG GLU 71 3HG GLU 71 4.278 -6.169 -8.820 574 HA PRO 72 HA PRO 72 7.764 -5.294 -14.136 575 1HB PRO 72 2HB PRO 72 6.550 -2.667 -14.482 576 2HB PRO 72 3HB PRO 72 6.302 -4.143 -15.418 577 1HG PRO 72 2HG PRO 72 4.404 -3.098 -13.799 578 2HG PRO 72 3HG PRO 72 4.554 -4.836 -14.115 579 1HD PRO 72 2HD PRO 72 5.468 -3.253 -11.741 580 2HD PRO 72 3HD PRO 72 4.682 -4.845 -11.800 581 H LEU 73 H LEU 73 7.939 -3.104 -11.478 582 HA LEU 73 HA LEU 73 9.979 -1.453 -12.732 583 1HB LEU 73 2HB LEU 73 8.129 -1.171 -10.552 584 2HB LEU 73 3HB LEU 73 9.754 -0.870 -9.968 585 HG LEU 73 HG LEU 73 8.208 1.057 -10.963 586 1HD1 LEU 73 1HD1 LEU 73 11.051 0.649 -10.626 587 2HD1 LEU 73 2HD1 LEU 73 10.697 1.847 -11.871 588 3HD1 LEU 73 3HD1 LEU 73 10.055 2.051 -10.241 589 1HD2 LEU 73 1HD2 LEU 73 8.840 -0.462 -13.271 590 2HD2 LEU 73 2HD2 LEU 73 7.972 1.070 -13.171 591 3HD2 LEU 73 3HD2 LEU 73 9.724 1.061 -13.371 592 H LEU 74 H LEU 74 9.744 -4.231 -10.765 593 HA LEU 74 HA LEU 74 12.243 -4.000 -9.407 594 1HB LEU 74 2HB LEU 74 11.125 -5.545 -8.244 595 2HB LEU 74 3HB LEU 74 10.035 -5.867 -9.576 596 HG LEU 74 HG LEU 74 12.390 -7.131 -10.327 597 1HD1 LEU 74 1HD1 LEU 74 12.799 -6.653 -7.716 598 2HD1 LEU 74 2HD1 LEU 74 11.922 -8.180 -7.612 599 3HD1 LEU 74 3HD1 LEU 74 13.409 -8.079 -8.557 600 1HD2 LEU 74 1HD2 LEU 74 9.694 -7.866 -9.404 601 2HD2 LEU 74 2HD2 LEU 74 10.580 -8.366 -10.845 602 3HD2 LEU 74 3HD2 LEU 74 10.909 -9.140 -9.295 603 H ALA 75 H ALA 75 11.203 -5.175 -12.476 604 HA ALA 75 HA ALA 75 13.710 -6.471 -13.127 605 1HB ALA 75 1HB ALA 75 11.402 -7.036 -14.106 606 2HB ALA 75 2HB ALA 75 11.648 -5.622 -15.133 607 3HB ALA 75 3HB ALA 75 12.779 -6.973 -15.206 608 H LYS 76 H LYS 76 12.232 -3.359 -13.363 609 HA LYS 76 HA LYS 76 13.983 -2.270 -15.325 610 1HB LYS 76 2HB LYS 76 12.071 -0.999 -13.371 611 2HB LYS 76 3HB LYS 76 12.992 -0.080 -14.551 612 1HG LYS 76 2HG LYS 76 11.565 -2.296 -15.759 613 2HG LYS 76 3HG LYS 76 10.492 -1.178 -14.911 614 1HD LYS 76 2HD LYS 76 10.598 -0.221 -17.011 615 2HD LYS 76 3HD LYS 76 11.874 0.650 -16.157 616 1HE LYS 76 2HE LYS 76 13.525 -0.303 -17.375 617 2HE LYS 76 3HE LYS 76 12.690 -1.852 -17.487 618 1HZ LYS 76 HZ1 LYS 76 11.134 -0.653 -19.076 619 2HZ LYS 76 HZ2 LYS 76 12.314 0.565 -19.149 620 3HZ LYS 76 HZ3 LYS 76 12.690 -1.015 -19.646 621 H SER 77 H SER 77 14.286 -2.789 -11.944 622 HA SER 77 HA SER 77 16.116 -0.618 -11.494 623 1HB SER 77 2HB SER 77 16.387 -2.617 -9.484 624 2HB SER 77 3HB SER 77 15.565 -1.060 -9.368 625 HG SER 77 HG SER 77 13.672 -2.036 -10.068 626 H GLY 78 H GLY 78 16.335 -4.103 -12.028 627 1HA GLY 78 1HA GLY 78 18.160 -5.109 -13.184 628 2HA GLY 78 2HA GLY 78 19.171 -3.751 -12.705 629 H LEU 79 H LEU 79 17.096 -6.074 -10.998 630 HA LEU 79 HA LEU 79 19.133 -6.299 -8.926 631 1HB LEU 79 2HB LEU 79 16.240 -7.057 -9.125 632 2HB LEU 79 3HB LEU 79 17.251 -7.744 -7.867 633 HG LEU 79 HG LEU 79 17.167 -4.777 -8.205 634 1HD1 LEU 79 1HD1 LEU 79 15.085 -6.414 -6.772 635 2HD1 LEU 79 2HD1 LEU 79 15.269 -4.664 -6.661 636 3HD1 LEU 79 3HD1 LEU 79 14.830 -5.408 -8.198 637 1HD2 LEU 79 1HD2 LEU 79 18.192 -6.697 -6.314 638 2HD2 LEU 79 2HD2 LEU 79 18.510 -4.966 -6.448 639 3HD2 LEU 79 3HD2 LEU 79 17.118 -5.539 -5.526 640 H ASP 80 H ASP 80 20.089 -8.234 -8.318 641 HA ASP 80 HA ASP 80 19.661 -10.514 -10.123 642 1HB ASP 80 2HB ASP 80 22.030 -8.937 -9.835 643 2HB ASP 80 3HB ASP 80 22.352 -10.539 -9.176 644 HA PRO 81 HA PRO 81 19.079 -12.934 -6.555 645 1HB PRO 81 2HB PRO 81 20.269 -15.303 -7.167 646 2HB PRO 81 3HB PRO 81 18.764 -14.746 -7.918 647 1HG PRO 81 2HG PRO 81 21.575 -14.576 -8.956 648 2HG PRO 81 3HG PRO 81 20.098 -15.074 -9.806 649 1HD PRO 81 2HD PRO 81 21.114 -12.610 -10.095 650 2HD PRO 81 3HD PRO 81 19.361 -12.894 -10.065 651 H GLU 82 H GLU 82 22.066 -11.663 -6.983 652 HA GLU 82 HA GLU 82 23.164 -13.082 -4.661 653 1HB GLU 82 2HB GLU 82 25.389 -12.222 -5.563 654 2HB GLU 82 3HB GLU 82 24.612 -13.512 -6.472 655 1HG GLU 82 2HG GLU 82 24.834 -12.269 -8.283 656 2HG GLU 82 3HG GLU 82 23.633 -11.174 -7.606 657 H LYS 83 H LYS 83 21.687 -10.311 -5.617 658 HA LYS 83 HA LYS 83 23.357 -8.441 -4.184 659 1HB LYS 83 2HB LYS 83 20.717 -8.086 -5.608 660 2HB LYS 83 3HB LYS 83 21.637 -6.777 -4.879 661 1HG LYS 83 2HG LYS 83 23.068 -8.482 -6.824 662 2HG LYS 83 3HG LYS 83 21.811 -7.420 -7.462 663 1HD LYS 83 2HD LYS 83 22.943 -5.513 -6.894 664 2HD LYS 83 3HD LYS 83 23.771 -6.280 -5.539 665 1HE LYS 83 2HE LYS 83 24.441 -7.358 -8.188 666 2HE LYS 83 3HE LYS 83 24.934 -5.688 -7.914 667 1HZ LYS 83 HZ1 LYS 83 25.864 -6.629 -5.713 668 2HZ LYS 83 HZ2 LYS 83 25.784 -8.135 -6.505 669 3HZ LYS 83 HZ3 LYS 83 26.731 -6.879 -7.149 670 HA PRO 84 HA PRO 84 20.845 -8.742 -0.496 671 1HB PRO 84 2HB PRO 84 22.383 -7.008 0.974 672 2HB PRO 84 3HB PRO 84 22.776 -8.708 0.721 673 1HG PRO 84 2HG PRO 84 24.136 -6.372 -0.295 674 2HG PRO 84 3HG PRO 84 24.612 -8.072 -0.429 675 1HD PRO 84 2HD PRO 84 23.285 -6.342 -2.393 676 2HD PRO 84 3HD PRO 84 24.130 -7.886 -2.633 677 H VAL 85 H VAL 85 18.978 -7.689 -0.228 678 HA VAL 85 HA VAL 85 18.955 -4.760 -0.504 679 HB VAL 85 HB VAL 85 16.512 -5.344 -1.471 680 1HG1 VAL 85 1HG1 VAL 85 18.626 -4.026 -2.378 681 2HG1 VAL 85 2HG1 VAL 85 18.690 -5.405 -3.475 682 3HG1 VAL 85 3HG1 VAL 85 17.242 -4.403 -3.403 683 1HG2 VAL 85 1HG2 VAL 85 18.263 -7.673 -2.132 684 2HG2 VAL 85 2HG2 VAL 85 16.558 -7.644 -1.682 685 3HG2 VAL 85 3HG2 VAL 85 17.053 -7.123 -3.291 686 H VAL 86 H VAL 86 17.348 -3.672 0.636 687 HA VAL 86 HA VAL 86 15.825 -5.299 2.544 688 HB VAL 86 HB VAL 86 17.475 -4.341 3.925 689 1HG1 VAL 86 1HG1 VAL 86 18.323 -2.763 2.189 690 2HG1 VAL 86 2HG1 VAL 86 17.047 -1.642 2.664 691 3HG1 VAL 86 3HG1 VAL 86 18.290 -2.108 3.826 692 1HG2 VAL 86 1HG2 VAL 86 15.029 -2.583 3.994 693 2HG2 VAL 86 2HG2 VAL 86 15.346 -4.037 4.944 694 3HG2 VAL 86 3HG2 VAL 86 16.282 -2.570 5.238 695 H VAL 87 H VAL 87 13.722 -4.664 2.860 696 HA VAL 87 HA VAL 87 12.738 -2.570 1.036 697 HB VAL 87 HB VAL 87 10.494 -3.720 1.344 698 1HG1 VAL 87 1HG1 VAL 87 12.827 -4.973 -0.049 699 2HG1 VAL 87 2HG1 VAL 87 11.234 -5.729 -0.116 700 3HG1 VAL 87 3HG1 VAL 87 11.459 -4.089 -0.728 701 1HG2 VAL 87 1HG2 VAL 87 11.871 -5.152 3.290 702 2HG2 VAL 87 2HG2 VAL 87 10.251 -5.484 2.678 703 3HG2 VAL 87 3HG2 VAL 87 11.647 -6.294 1.967 704 H PHE 88 H PHE 88 11.681 -0.845 1.841 705 HA PHE 88 HA PHE 88 11.452 -0.739 4.770 706 1HB PHE 88 2HB PHE 88 13.236 0.647 3.735 707 2HB PHE 88 3HB PHE 88 12.004 1.523 2.836 708 HD1 PHE 88 HD1 PHE 88 12.049 0.430 6.400 709 HD2 PHE 88 HD2 PHE 88 12.062 3.687 3.656 710 HE1 PHE 88 HE1 PHE 88 11.763 1.999 8.264 711 HE2 PHE 88 HE2 PHE 88 11.771 5.256 5.519 712 HZ PHE 88 HZ PHE 88 11.622 4.413 7.825 713 H CYS 89 H CYS 89 9.683 -0.019 5.748 714 HA CYS 89 HA CYS 89 7.674 0.949 6.149 715 1HB CYS 89 2HB CYS 89 8.316 2.330 3.890 716 2HB CYS 89 3HB CYS 89 6.840 1.510 3.387 717 H LYS 90 H LYS 90 6.588 -0.752 6.844 718 HA LYS 90 HA LYS 90 5.094 -2.295 4.827 719 1HB LYS 90 2HB LYS 90 5.169 -4.201 6.508 720 2HB LYS 90 3HB LYS 90 6.670 -3.839 5.667 721 1HG LYS 90 2HG LYS 90 7.597 -3.887 7.692 722 2HG LYS 90 3HG LYS 90 6.885 -2.286 7.902 723 1HD LYS 90 2HD LYS 90 5.493 -3.027 9.479 724 2HD LYS 90 3HD LYS 90 4.964 -4.371 8.466 725 1HE LYS 90 2HE LYS 90 5.899 -5.381 10.358 726 2HE LYS 90 3HE LYS 90 7.148 -5.507 9.120 727 1HZ LYS 90 HZ1 LYS 90 7.054 -3.382 11.194 728 2HZ LYS 90 HZ2 LYS 90 7.985 -4.797 11.322 729 3HZ LYS 90 HZ3 LYS 90 8.309 -3.674 10.089 730 H THR 91 H THR 91 4.659 0.062 6.862 731 HA THR 91 HA THR 91 2.459 -1.058 8.400 732 HB THR 91 HB THR 91 2.676 1.662 8.989 733 HG1 THR 91 HG1 THR 91 4.725 2.189 8.759 734 1HG2 THR 91 1HG2 THR 91 3.355 -0.920 10.242 735 2HG2 THR 91 2HG2 THR 91 4.183 0.485 10.910 736 3HG2 THR 91 3HG2 THR 91 2.421 0.437 10.878 737 H ALA 92 H ALA 92 2.428 -0.320 5.411 738 HA ALA 92 HA ALA 92 -0.286 0.520 5.359 739 1HB ALA 92 1HB ALA 92 1.776 2.500 4.396 740 2HB ALA 92 2HB ALA 92 0.059 2.585 4.000 741 3HB ALA 92 3HB ALA 92 0.586 2.734 5.677 742 H ALA 93 H ALA 93 2.397 1.060 3.079 743 HA ALA 93 HA ALA 93 1.010 -0.222 0.936 744 1HB ALA 93 1HB ALA 93 2.963 1.590 0.966 745 2HB ALA 93 2HB ALA 93 3.944 0.139 0.766 746 3HB ALA 93 3HB ALA 93 2.684 0.519 -0.406 747 H ARG 94 H ARG 94 3.218 -1.192 3.383 748 HA ARG 94 HA ARG 94 3.953 -3.187 4.127 749 1HB ARG 94 2HB ARG 94 1.775 -4.103 2.284 750 2HB ARG 94 3HB ARG 94 2.835 -5.277 3.051 751 1HG ARG 94 2HG ARG 94 1.642 -3.257 4.835 752 2HG ARG 94 3HG ARG 94 0.527 -4.422 4.119 753 1HD ARG 94 2HD ARG 94 1.497 -6.210 5.193 754 2HD ARG 94 3HD ARG 94 3.060 -5.408 5.346 755 HE ARG 94 HE ARG 94 2.134 -4.091 7.152 756 1HH1 ARG 94 1HH1 ARG 94 0.295 -6.897 6.165 757 2HH1 ARG 94 2HH1 ARG 94 -0.610 -6.987 7.638 758 1HH2 ARG 94 1HH2 ARG 94 0.930 -4.213 9.116 759 2HH2 ARG 94 2HH2 ARG 94 -0.282 -5.454 9.303 760 H ALA 95 H ALA 95 6.021 -2.921 3.443 761 HA ALA 95 HA ALA 95 6.990 -3.495 0.850 762 1HB ALA 95 1HB ALA 95 8.069 -2.177 2.828 763 2HB ALA 95 2HB ALA 95 8.705 -3.758 3.281 764 3HB ALA 95 3HB ALA 95 9.093 -3.071 1.704 765 H ALA 96 H ALA 96 5.801 -5.513 3.226 766 HA ALA 96 HA ALA 96 7.465 -7.750 3.141 767 1HB ALA 96 1HB ALA 96 5.442 -7.257 4.653 768 2HB ALA 96 2HB ALA 96 4.489 -7.992 3.363 769 3HB ALA 96 3HB ALA 96 5.748 -8.925 4.173 770 H LEU 97 H LEU 97 4.955 -6.663 0.932 771 HA LEU 97 HA LEU 97 4.822 -9.049 -0.609 772 1HB LEU 97 2HB LEU 97 3.824 -6.295 -0.848 773 2HB LEU 97 3HB LEU 97 4.162 -7.079 -2.385 774 HG LEU 97 HG LEU 97 1.811 -7.318 -1.725 775 1HD1 LEU 97 1HD1 LEU 97 2.832 -9.036 -3.112 776 2HD1 LEU 97 2HD1 LEU 97 3.344 -9.910 -1.669 777 3HD1 LEU 97 3HD1 LEU 97 1.627 -9.732 -2.029 778 1HD2 LEU 97 1HD2 LEU 97 3.040 -8.396 0.756 779 2HD2 LEU 97 2HD2 LEU 97 1.615 -7.379 0.550 780 3HD2 LEU 97 3HD2 LEU 97 1.524 -9.105 0.202 781 H ALA 98 H ALA 98 6.920 -6.276 -0.602 782 HA ALA 98 HA ALA 98 8.007 -6.688 -3.194 783 1HB ALA 98 1HB ALA 98 8.898 -5.006 -0.862 784 2HB ALA 98 2HB ALA 98 9.706 -5.008 -2.429 785 3HB ALA 98 3HB ALA 98 8.028 -4.482 -2.303 786 H GLY 99 H GLY 99 9.052 -7.486 0.071 787 1HA GLY 99 1HA GLY 99 11.573 -8.500 -0.960 788 2HA GLY 99 2HA GLY 99 11.155 -8.267 0.729 789 H LYS 100 H LYS 100 8.776 -9.795 0.798 790 HA LYS 100 HA LYS 100 9.934 -12.275 1.363 791 1HB LYS 100 2HB LYS 100 7.904 -12.883 2.262 792 2HB LYS 100 3HB LYS 100 7.745 -11.132 2.259 793 1HG LYS 100 2HG LYS 100 6.100 -11.149 0.718 794 2HG LYS 100 3HG LYS 100 6.793 -12.509 -0.166 795 1HD LYS 100 2HD LYS 100 5.932 -13.378 2.426 796 2HD LYS 100 3HD LYS 100 4.613 -12.532 1.614 797 1HE LYS 100 2HE LYS 100 4.226 -14.369 0.426 798 2HE LYS 100 3HE LYS 100 5.813 -14.180 -0.322 799 1HZ LYS 100 HZ1 LYS 100 6.675 -15.368 1.746 800 2HZ LYS 100 HZ2 LYS 100 5.060 -15.822 2.015 801 3HZ LYS 100 HZ3 LYS 100 5.850 -16.302 0.591 802 H THR 101 H THR 101 8.504 -11.076 -1.527 803 HA THR 101 HA THR 101 7.927 -13.541 -2.803 804 HB THR 101 HB THR 101 8.351 -11.765 -4.786 805 HG1 THR 101 HG1 THR 101 7.344 -9.823 -3.360 806 1HG2 THR 101 1HG2 THR 101 5.981 -12.064 -2.958 807 2HG2 THR 101 2HG2 THR 101 5.935 -11.040 -4.393 808 3HG2 THR 101 3HG2 THR 101 6.221 -12.774 -4.553 809 H LEU 102 H LEU 102 10.553 -11.174 -3.010 810 HA LEU 102 HA LEU 102 12.022 -12.362 -5.009 811 1HB LEU 102 2HB LEU 102 12.806 -10.551 -2.750 812 2HB LEU 102 3HB LEU 102 13.996 -11.118 -3.905 813 HG LEU 102 HG LEU 102 11.563 -9.440 -4.496 814 1HD1 LEU 102 1HD1 LEU 102 14.018 -8.663 -3.590 815 2HD1 LEU 102 2HD1 LEU 102 14.210 -8.533 -5.338 816 3HD1 LEU 102 3HD1 LEU 102 12.912 -7.658 -4.524 817 1HD2 LEU 102 1HD2 LEU 102 13.372 -11.003 -6.262 818 2HD2 LEU 102 2HD2 LEU 102 11.646 -10.670 -6.414 819 3HD2 LEU 102 3HD2 LEU 102 12.824 -9.419 -6.812 820 H ARG 103 H ARG 103 12.267 -12.903 -1.511 821 HA ARG 103 HA ARG 103 14.487 -14.681 -1.697 822 1HB ARG 103 2HB ARG 103 13.545 -15.441 0.626 823 2HB ARG 103 3HB ARG 103 14.291 -13.860 0.441 824 1HG ARG 103 2HG ARG 103 12.334 -12.750 0.724 825 2HG ARG 103 3HG ARG 103 11.361 -14.052 0.043 826 1HD ARG 103 2HD ARG 103 12.774 -14.620 2.566 827 2HD ARG 103 3HD ARG 103 11.440 -13.476 2.647 828 HE ARG 103 HE ARG 103 9.949 -15.178 1.984 829 1HH1 ARG 103 1HH1 ARG 103 13.239 -16.340 2.421 830 2HH1 ARG 103 2HH1 ARG 103 12.759 -18.011 2.508 831 1HH2 ARG 103 1HH2 ARG 103 9.335 -17.357 2.105 832 2HH2 ARG 103 2HH2 ARG 103 10.543 -18.582 2.335 833 H GLU 104 H GLU 104 11.083 -15.023 -2.101 834 HA GLU 104 HA GLU 104 11.013 -17.892 -1.897 835 1HB GLU 104 2HB GLU 104 9.088 -15.747 -2.656 836 2HB GLU 104 3HB GLU 104 8.759 -17.384 -3.207 837 1HG GLU 104 2HG GLU 104 9.032 -18.089 -0.786 838 2HG GLU 104 3HG GLU 104 8.968 -16.372 -0.395 839 H TYR 105 H TYR 105 12.229 -15.782 -4.179 840 HA TYR 105 HA TYR 105 11.812 -17.718 -6.355 841 1HB TYR 105 HB2 TYR 105 12.807 -14.869 -6.605 842 2HB TYR 105 HB3 TYR 105 12.418 -15.970 -7.924 843 HD1 TYR 105 HD1 TYR 105 9.858 -17.105 -6.758 844 HD2 TYR 105 HD2 TYR 105 11.291 -13.114 -7.081 845 HE1 TYR 105 HE1 TYR 105 7.543 -16.279 -6.747 846 HE2 TYR 105 HE2 TYR 105 8.979 -12.279 -7.069 847 HH TYR 105 HH TYR 105 6.443 -13.862 -7.763 848 H GLY 106 H GLY 106 14.226 -15.797 -4.619 849 1HA GLY 106 1HA GLY 106 16.141 -17.459 -4.077 850 2HA GLY 106 2HA GLY 106 16.349 -17.439 -5.822 851 H PHE 107 H PHE 107 16.543 -15.525 -2.888 852 HA PHE 107 HA PHE 107 18.378 -13.723 -4.310 853 1HB PHE 107 2HB PHE 107 15.981 -13.057 -2.775 854 2HB PHE 107 3HB PHE 107 17.413 -12.192 -2.222 855 HD1 PHE 107 HD1 PHE 107 15.659 -13.089 -5.380 856 HD2 PHE 107 HD2 PHE 107 17.963 -10.211 -3.255 857 HE1 PHE 107 HE1 PHE 107 15.434 -11.529 -7.263 858 HE2 PHE 107 HE2 PHE 107 17.743 -8.642 -5.135 859 HZ PHE 107 HZ PHE 107 16.478 -9.298 -7.144 860 H LYS 108 H LYS 108 20.021 -12.766 -2.983 861 HA LYS 108 HA LYS 108 21.249 -14.685 -1.317 862 1HB LYS 108 2HB LYS 108 22.066 -12.445 -2.740 863 2HB LYS 108 3HB LYS 108 22.351 -12.003 -1.063 864 1HG LYS 108 2HG LYS 108 23.291 -14.665 -1.505 865 2HG LYS 108 3HG LYS 108 23.955 -13.590 -2.739 866 1HD LYS 108 2HD LYS 108 24.034 -12.346 -0.137 867 2HD LYS 108 3HD LYS 108 24.851 -13.909 -0.110 868 1HE LYS 108 2HE LYS 108 26.076 -13.149 -2.194 869 2HE LYS 108 3HE LYS 108 25.430 -11.540 -1.873 870 1HZ LYS 108 HZ1 LYS 108 26.482 -11.704 0.365 871 2HZ LYS 108 HZ2 LYS 108 27.246 -13.128 -0.144 872 3HZ LYS 108 HZ3 LYS 108 27.586 -11.661 -0.923 873 H THR 109 H THR 109 20.578 -11.307 -0.443 874 HA THR 109 HA THR 109 19.684 -12.225 2.200 875 HB THR 109 HB THR 109 21.232 -9.752 2.314 876 HG1 THR 109 HG1 THR 109 23.261 -11.119 2.172 877 1HG2 THR 109 1HG2 THR 109 21.106 -12.359 3.792 878 2HG2 THR 109 2HG2 THR 109 22.408 -11.212 4.105 879 3HG2 THR 109 3HG2 THR 109 20.730 -10.734 4.369 880 H ILE 110 H ILE 110 17.659 -11.504 2.390 881 HA ILE 110 HA ILE 110 17.110 -8.763 1.491 882 HB ILE 110 HB ILE 110 16.079 -10.615 0.096 883 1HG1 ILE 110 2HG1 ILE 110 13.782 -9.058 1.056 884 2HG1 ILE 110 3HG1 ILE 110 15.215 -8.097 0.702 885 1HG2 ILE 110 1HG2 ILE 110 15.299 -11.698 2.452 886 2HG2 ILE 110 2HG2 ILE 110 13.825 -10.868 1.954 887 3HG2 ILE 110 3HG2 ILE 110 14.567 -12.063 0.892 888 1HD1 ILE 110 1HD1 ILE 110 14.381 -10.110 -1.305 889 2HD1 ILE 110 2HD1 ILE 110 13.399 -8.655 -1.130 890 3HD1 ILE 110 3HD1 ILE 110 15.112 -8.520 -1.525 891 H TYR 111 H TYR 111 16.318 -7.396 2.940 892 HA TYR 111 HA TYR 111 15.418 -8.498 5.527 893 1HB TYR 111 HB2 TYR 111 16.489 -5.712 5.270 894 2HB TYR 111 HB3 TYR 111 16.481 -6.773 6.669 895 HD1 TYR 111 HD1 TYR 111 18.178 -6.071 3.452 896 HD2 TYR 111 HD2 TYR 111 18.328 -8.191 7.144 897 HE1 TYR 111 HE1 TYR 111 20.534 -6.635 3.023 898 HE2 TYR 111 HE2 TYR 111 20.683 -8.761 6.724 899 HH TYR 111 HH TYR 111 22.554 -8.030 5.455 900 H ASN 112 H ASN 112 13.704 -7.438 6.604 901 HA ASN 112 HA ASN 112 12.174 -5.526 4.959 902 1HB ASN 112 2HB ASN 112 11.178 -7.910 5.375 903 2HB ASN 112 3HB ASN 112 10.869 -7.310 7.000 904 1HD2 ASN 112 1HD2 ASN 112 9.459 -7.817 4.158 905 2HD2 ASN 112 2HD2 ASN 112 8.265 -6.562 4.165 906 H SER 113 H SER 113 11.331 -3.762 6.056 907 HA SER 113 HA SER 113 12.924 -3.046 8.301 908 1HB SER 113 2HB SER 113 11.968 -0.838 8.016 909 2HB SER 113 3HB SER 113 12.368 -1.508 6.432 910 HG SER 113 HG SER 113 9.830 -2.104 7.279 911 H GLU 114 H GLU 114 12.424 -2.808 10.349 912 HA GLU 114 HA GLU 114 9.757 -3.550 11.290 913 1HB GLU 114 2HB GLU 114 12.368 -3.761 12.405 914 2HB GLU 114 3HB GLU 114 11.454 -2.647 13.414 915 1HG GLU 114 2HG GLU 114 10.949 -5.532 12.846 916 2HG GLU 114 3HG GLU 114 11.025 -4.693 14.394 917 H GLY 115 H GLY 115 8.332 -2.060 12.078 918 1HA GLY 115 1HA GLY 115 7.565 0.060 12.724 919 2HA GLY 115 2HA GLY 115 9.149 0.721 12.339 920 H GLY 116 H GLY 116 8.973 2.115 10.767 921 1HA GLY 116 1HA GLY 116 8.241 1.408 8.156 922 2HA GLY 116 2HA GLY 116 6.893 2.273 8.887 923 H MET 117 H MET 117 7.282 3.897 7.220 924 HA MET 117 HA MET 117 9.654 5.373 6.965 925 1HB MET 117 2HB MET 117 7.252 5.394 5.697 926 2HB MET 117 3HB MET 117 7.123 6.867 6.646 927 1HG MET 117 2HG MET 117 9.417 6.245 4.802 928 2HG MET 117 3HG MET 117 8.001 7.188 4.343 929 1HE MET 117 1HE MET 117 11.088 7.775 4.241 930 2HE MET 117 2HE MET 117 11.603 9.139 5.233 931 3HE MET 117 3HE MET 117 11.628 7.506 5.899 932 H ASP 118 H ASP 118 6.998 5.602 9.228 933 HA ASP 118 HA ASP 118 7.551 8.113 10.333 934 1HB ASP 118 2HB ASP 118 5.914 7.624 11.826 935 2HB ASP 118 3HB ASP 118 5.609 6.279 10.735 936 H LYS 119 H LYS 119 8.993 4.945 10.918 937 HA LYS 119 HA LYS 119 10.406 5.742 13.257 938 1HB LYS 119 2HB LYS 119 10.078 3.345 11.661 939 2HB LYS 119 3HB LYS 119 11.757 3.574 12.130 940 1HG LYS 119 2HG LYS 119 10.872 2.290 13.846 941 2HG LYS 119 3HG LYS 119 10.842 3.930 14.498 942 1HD LYS 119 2HD LYS 119 8.419 3.845 13.321 943 2HD LYS 119 3HD LYS 119 8.618 2.142 13.750 944 1HE LYS 119 2HE LYS 119 7.783 2.788 15.733 945 2HE LYS 119 3HE LYS 119 9.433 3.323 16.039 946 1HZ LYS 119 HZ1 LYS 119 7.672 5.213 14.685 947 2HZ LYS 119 HZ2 LYS 119 7.339 4.900 16.318 948 3HZ LYS 119 HZ3 LYS 119 8.867 5.488 15.863 949 H TRP 120 H TRP 120 11.070 5.775 9.823 950 HA TRP 120 HA TRP 120 13.863 6.145 9.962 951 1HB TRP 120 HB2 TRP 120 12.305 5.657 7.915 952 2HB TRP 120 HB3 TRP 120 12.190 7.408 7.813 953 HD1 TRP 120 HD1 TRP 120 14.224 8.702 6.842 954 HE1 TRP 120 HE1 TRP 120 16.438 8.009 5.744 955 HE3 TRP 120 HE3 TRP 120 14.152 3.711 7.960 956 HZ2 TRP 120 HZ2 TRP 120 17.945 5.658 5.375 957 HZ3 TRP 120 HZ3 TRP 120 16.023 2.307 7.183 958 HH2 TRP 120 HH2 TRP 120 17.875 3.263 5.915 959 H LEU 121 H LEU 121 11.216 8.554 9.584 960 HA LEU 121 HA LEU 121 12.860 10.815 9.878 961 1HB LEU 121 2HB LEU 121 10.010 10.202 9.749 962 2HB LEU 121 3HB LEU 121 10.355 11.531 10.837 963 HG LEU 121 HG LEU 121 10.736 11.384 7.863 964 1HD1 LEU 121 1HD1 LEU 121 9.268 13.035 9.835 965 2HD1 LEU 121 2HD1 LEU 121 9.874 13.843 8.389 966 3HD1 LEU 121 3HD1 LEU 121 8.782 12.466 8.238 967 1HD2 LEU 121 1HD2 LEU 121 12.183 13.254 9.744 968 2HD2 LEU 121 2HD2 LEU 121 12.916 12.070 8.663 969 3HD2 LEU 121 3HD2 LEU 121 12.069 13.466 7.997 970 H GLU 122 H GLU 122 10.986 8.919 12.208 971 HA GLU 122 HA GLU 122 11.275 10.586 14.434 972 1HB GLU 122 2HB GLU 122 9.753 8.551 14.072 973 2HB GLU 122 3HB GLU 122 11.124 7.589 14.600 974 1HG GLU 122 2HG GLU 122 10.954 9.468 16.569 975 2HG GLU 122 3HG GLU 122 9.261 9.217 16.139 976 H GLU 123 H GLU 123 13.305 7.945 13.282 977 HA GLU 123 HA GLU 123 15.073 8.072 15.545 978 1HB GLU 123 2HB GLU 123 14.580 6.225 13.512 979 2HB GLU 123 3HB GLU 123 16.222 6.781 13.217 980 1HG GLU 123 2HG GLU 123 16.289 4.838 14.612 981 2HG GLU 123 3HG GLU 123 16.790 6.240 15.556 982 H GLY 124 H GLY 124 14.620 10.145 13.073 983 1HA GLY 124 1HA GLY 124 15.838 11.955 12.359 984 2HA GLY 124 2HA GLY 124 17.029 11.552 13.588 985 H LEU 125 H LEU 125 16.042 9.298 11.128 986 HA LEU 125 HA LEU 125 18.750 9.008 10.227 987 1HB LEU 125 2HB LEU 125 16.170 7.764 9.269 988 2HB LEU 125 3HB LEU 125 17.763 7.319 8.685 989 HG LEU 125 HG LEU 125 16.715 6.945 11.494 990 1HD1 LEU 125 1HD1 LEU 125 16.686 5.321 9.119 991 2HD1 LEU 125 2HD1 LEU 125 17.620 4.545 10.399 992 3HD1 LEU 125 3HD1 LEU 125 15.949 5.025 10.694 993 1HD2 LEU 125 1HD2 LEU 125 19.135 7.548 11.406 994 2HD2 LEU 125 2HD2 LEU 125 18.820 5.930 12.035 995 3HD2 LEU 125 3HD2 LEU 125 19.402 6.138 10.381 996 HA PRO 126 HA PRO 126 18.985 11.713 6.779 997 1HB PRO 126 2HB PRO 126 19.724 9.990 4.742 998 2HB PRO 126 3HB PRO 126 20.837 10.687 5.926 999 1HG PRO 126 2HG PRO 126 19.479 8.012 5.947 1000 2HG PRO 126 3HG PRO 126 21.175 8.410 6.310 1001 1HD PRO 126 2HD PRO 126 19.482 7.981 8.294 1002 2HD PRO 126 3HD PRO 126 20.623 9.342 8.397 1003 H SER 127 H SER 127 17.114 12.528 6.021 1004 HA SER 127 HA SER 127 15.541 10.859 4.202 1005 1HB SER 127 2HB SER 127 13.628 12.403 5.416 1006 2HB SER 127 3HB SER 127 13.997 10.735 5.863 1007 HG SER 127 HG SER 127 15.395 11.520 7.468 1008 H LEU 128 H LEU 128 14.338 12.056 2.647 1009 HA LEU 128 HA LEU 128 15.342 14.791 2.226 1010 1HB LEU 128 2HB LEU 128 14.397 12.628 0.395 1011 2HB LEU 128 3HB LEU 128 14.145 14.295 -0.084 1012 HG LEU 128 HG LEU 128 16.886 13.554 0.772 1013 1HD1 LEU 128 1HD1 LEU 128 15.542 11.941 -1.075 1014 2HD1 LEU 128 2HD1 LEU 128 16.566 13.013 -2.030 1015 3HD1 LEU 128 3HD1 LEU 128 17.278 12.008 -0.768 1016 1HD2 LEU 128 1HD2 LEU 128 15.533 15.494 -1.001 1017 2HD2 LEU 128 2HD2 LEU 128 16.919 15.703 0.069 1018 3HD2 LEU 128 3HD2 LEU 128 17.129 14.939 -1.505 1019 H ASP 129 H ASP 129 13.971 16.037 3.355 1020 HA ASP 129 HA ASP 129 11.124 15.882 2.655 1021 1HB ASP 129 2HB ASP 129 10.405 15.928 4.855 1022 2HB ASP 129 3HB ASP 129 11.844 14.930 5.004 1023 H ARG 130 H ARG 130 10.078 17.857 2.484 1024 HA ARG 130 HA ARG 130 11.891 20.105 2.187 1025 1HB ARG 130 2HB ARG 130 9.446 19.212 0.921 1026 2HB ARG 130 3HB ARG 130 9.313 20.892 1.422 1027 1HG ARG 130 2HG ARG 130 10.869 21.604 -0.054 1028 2HG ARG 130 3HG ARG 130 11.799 20.108 0.033 1029 1HD ARG 130 2HD ARG 130 10.694 19.182 -1.684 1030 2HD ARG 130 3HD ARG 130 9.134 19.796 -1.134 1031 HE ARG 130 HE ARG 130 11.098 21.397 -2.658 1032 1HH1 ARG 130 1HH1 ARG 130 7.814 20.533 -1.840 1033 2HH1 ARG 130 2HH1 ARG 130 7.089 21.656 -2.950 1034 1HH2 ARG 130 1HH2 ARG 130 10.165 22.881 -4.150 1035 2HH2 ARG 130 2HH2 ARG 130 8.428 22.990 -4.274 1036 H SER 131 H SER 131 12.168 21.437 3.809 1037 HA SER 131 HA SER 131 10.518 21.531 6.097 1038 1HB SER 131 2HB SER 131 12.352 23.792 5.403 1039 2HB SER 131 3HB SER 131 12.085 23.001 6.958 1040 HG SER 131 HG SER 131 13.154 21.141 6.059 1041 H HIS 132 H HIS 132 8.453 22.116 5.782 1042 HA HIS 132 HA HIS 132 7.721 24.377 4.140 1043 1HB HIS 132 2HB HIS 132 5.960 22.857 6.080 1044 2HB HIS 132 3HB HIS 132 5.438 23.865 4.736 1045 HD1 HIS 132 HD1 HIS 132 5.575 20.482 5.571 1046 HD2 HIS 132 HD2 HIS 132 6.715 22.615 2.187 1047 HE1 HIS 132 HE1 HIS 132 5.672 18.795 3.707 1048 HE2 HIS 132 HE2 HIS 132 6.248 20.126 1.643 1049 H HIS 133 H HIS 133 9.296 25.680 5.494 1050 HA HIS 133 HA HIS 133 8.428 26.386 8.152 1051 1HB HIS 133 2HB HIS 133 10.866 26.367 6.822 1052 2HB HIS 133 3HB HIS 133 10.508 28.078 7.028 1053 HD1 HIS 133 HD1 HIS 133 10.792 29.063 9.339 1054 HD2 HIS 133 HD2 HIS 133 11.072 24.909 9.291 1055 HE1 HIS 133 HE1 HIS 133 11.582 28.406 11.634 1056 HE2 HIS 133 HE2 HIS 133 11.689 25.887 11.610 1057 H HIS 134 H HIS 134 7.333 27.316 5.246 1058 HA HIS 134 HA HIS 134 6.993 30.136 5.942 1059 1HB HIS 134 2HB HIS 134 7.351 28.837 3.500 1060 2HB HIS 134 3HB HIS 134 5.647 29.284 3.509 1061 HD1 HIS 134 HD1 HIS 134 8.187 30.549 1.848 1062 HD2 HIS 134 HD2 HIS 134 6.043 32.236 4.990 1063 HE1 HIS 134 HE1 HIS 134 8.520 33.032 1.642 1064 HE2 HIS 134 HE2 HIS 134 7.356 34.019 3.643 1065 H HIS 135 H HIS 135 5.755 28.531 7.717 1066 HA HIS 135 HA HIS 135 2.912 28.706 6.958 1067 1HB HIS 135 2HB HIS 135 4.440 26.601 8.393 1068 2HB HIS 135 3HB HIS 135 2.815 26.943 8.974 1069 HD1 HIS 135 HD1 HIS 135 1.175 27.226 6.499 1070 HD2 HIS 135 HD2 HIS 135 4.247 24.431 6.830 1071 HE1 HIS 135 HE1 HIS 135 0.658 25.435 4.807 1072 HE2 HIS 135 HE2 HIS 135 2.432 23.676 5.145 1073 H HIS 136 H HIS 136 4.258 30.904 7.981 1074 HA HIS 136 HA HIS 136 3.901 31.109 10.811 1075 1HB HIS 136 2HB HIS 136 5.008 33.064 10.593 1076 2HB HIS 136 3HB HIS 136 5.267 32.579 8.927 1077 HD1 HIS 136 HD1 HIS 136 3.322 33.541 7.212 1078 HD2 HIS 136 HD2 HIS 136 3.795 35.466 10.874 1079 HE1 HIS 136 HE1 HIS 136 2.268 35.811 6.931 1080 HE2 HIS 136 HE2 HIS 136 2.708 37.015 9.103 1081 H HIS 137 H HIS 137 1.944 31.500 8.033 1082 HA HIS 137 HA HIS 137 -0.485 31.370 9.335 1083 1HB HIS 137 2HB HIS 137 0.399 33.845 9.866 1084 2HB HIS 137 3HB HIS 137 -0.287 34.152 8.274 1085 HD1 HIS 137 HD1 HIS 137 -1.228 33.419 11.806 1086 HD2 HIS 137 HD2 HIS 137 -3.105 33.885 8.120 1087 HE1 HIS 137 HE1 HIS 137 -3.677 33.665 12.314 1088 HE2 HIS 137 HE2 HIS 137 -4.805 33.812 10.067 1089 1H ALA 1 H1 ALA 1 24.076 -11.582 -19.363 1090 2H ALA 1 H2 ALA 1 22.565 -12.282 -19.047 1091 3H ALA 1 H3 ALA 1 22.782 -10.615 -18.845 1092 HA ALA 1 HA ALA 1 23.492 -12.818 -17.101 1093 1HB ALA 1 1HB ALA 1 25.665 -11.791 -17.992 1094 2HB ALA 1 2HB ALA 1 25.214 -10.363 -17.059 1095 3HB ALA 1 3HB ALA 1 25.462 -11.907 -16.244 1096 H ASP 2 H ASP 2 21.118 -11.863 -17.051 1097 HA ASP 2 HA ASP 2 21.038 -10.220 -14.667 1098 1HB ASP 2 2HB ASP 2 19.579 -8.529 -15.526 1099 2HB ASP 2 3HB ASP 2 20.962 -8.611 -16.608 1100 H MET 3 H MET 3 19.539 -10.936 -13.322 1101 HA MET 3 HA MET 3 17.767 -13.042 -14.293 1102 1HB MET 3 2HB MET 3 19.175 -12.516 -11.851 1103 2HB MET 3 3HB MET 3 17.460 -12.685 -11.502 1104 1HG MET 3 2HG MET 3 18.777 -14.793 -11.352 1105 2HG MET 3 3HG MET 3 17.394 -14.858 -12.441 1106 1HE MET 3 1HE MET 3 20.870 -13.454 -12.456 1107 2HE MET 3 2HE MET 3 21.562 -15.075 -12.518 1108 3HE MET 3 3HE MET 3 21.624 -14.036 -13.941 1109 H GLY 4 H GLY 4 17.548 -9.839 -14.130 1110 1HA GLY 4 1HA GLY 4 15.223 -9.221 -12.712 1111 2HA GLY 4 2HA GLY 4 15.811 -8.337 -14.112 1112 H GLU 5 H GLU 5 15.631 -10.596 -15.882 1113 HA GLU 5 HA GLU 5 12.872 -10.375 -16.643 1114 1HB GLU 5 2HB GLU 5 15.183 -10.842 -18.014 1115 2HB GLU 5 3HB GLU 5 14.494 -12.459 -17.942 1116 1HG GLU 5 2HG GLU 5 12.347 -10.901 -18.658 1117 2HG GLU 5 3HG GLU 5 13.693 -10.152 -19.514 1118 H LYS 6 H LYS 6 14.856 -12.719 -15.010 1119 HA LYS 6 HA LYS 6 13.172 -14.944 -15.400 1120 1HB LYS 6 2HB LYS 6 15.183 -14.590 -13.182 1121 2HB LYS 6 3HB LYS 6 14.596 -16.104 -13.860 1122 1HG LYS 6 2HG LYS 6 15.723 -14.443 -15.921 1123 2HG LYS 6 3HG LYS 6 16.875 -14.683 -14.606 1124 1HD LYS 6 2HD LYS 6 16.336 -17.150 -14.762 1125 2HD LYS 6 3HD LYS 6 15.486 -16.776 -16.264 1126 1HE LYS 6 2HE LYS 6 17.392 -16.608 -17.411 1127 2HE LYS 6 3HE LYS 6 18.136 -15.598 -16.171 1128 1HZ LYS 6 HZ1 LYS 6 18.456 -17.734 -14.886 1129 2HZ LYS 6 HZ2 LYS 6 18.067 -18.554 -16.319 1130 3HZ LYS 6 HZ3 LYS 6 19.424 -17.533 -16.265 1131 H PHE 7 H PHE 7 13.731 -13.073 -12.369 1132 HA PHE 7 HA PHE 7 11.618 -14.489 -11.096 1133 1HB PHE 7 2HB PHE 7 11.888 -12.675 -9.282 1134 2HB PHE 7 3HB PHE 7 13.207 -13.799 -9.559 1135 HD1 PHE 7 HD1 PHE 7 12.090 -10.484 -10.870 1136 HD2 PHE 7 HD2 PHE 7 15.290 -12.907 -9.473 1137 HE1 PHE 7 HE1 PHE 7 13.625 -8.580 -11.108 1138 HE2 PHE 7 HE2 PHE 7 16.836 -11.009 -9.715 1139 HZ PHE 7 HZ PHE 7 16.000 -8.839 -10.534 1140 H ASP 8 H ASP 8 11.766 -11.559 -12.892 1141 HA ASP 8 HA ASP 8 9.556 -10.164 -11.994 1142 1HB ASP 8 2HB ASP 8 10.576 -8.914 -13.598 1143 2HB ASP 8 3HB ASP 8 11.000 -10.318 -14.571 1144 H ALA 9 H ALA 9 9.622 -12.751 -14.434 1145 HA ALA 9 HA ALA 9 6.903 -12.813 -15.037 1146 1HB ALA 9 1HB ALA 9 8.955 -15.019 -15.045 1147 2HB ALA 9 2HB ALA 9 7.337 -15.165 -15.732 1148 3HB ALA 9 3HB ALA 9 8.476 -13.995 -16.399 1149 H THR 10 H THR 10 8.722 -14.500 -12.500 1150 HA THR 10 HA THR 10 6.500 -15.960 -11.510 1151 HB THR 10 HB THR 10 8.686 -15.299 -9.631 1152 HG1 THR 10 HG1 THR 10 10.243 -16.381 -10.813 1153 1HG2 THR 10 1HG2 THR 10 6.928 -17.081 -9.310 1154 2HG2 THR 10 2HG2 THR 10 7.690 -17.967 -10.630 1155 3HG2 THR 10 3HG2 THR 10 8.594 -17.636 -9.152 1156 H PHE 11 H PHE 11 8.014 -12.883 -10.570 1157 HA PHE 11 HA PHE 11 6.509 -12.283 -8.306 1158 1HB PHE 11 2HB PHE 11 8.466 -11.015 -9.676 1159 2HB PHE 11 3HB PHE 11 7.082 -10.045 -10.168 1160 HD1 PHE 11 HD1 PHE 11 5.540 -9.228 -8.223 1161 HD2 PHE 11 HD2 PHE 11 9.575 -10.488 -7.739 1162 HE1 PHE 11 HE1 PHE 11 5.671 -7.986 -6.103 1163 HE2 PHE 11 HE2 PHE 11 9.713 -9.250 -5.623 1164 HZ PHE 11 HZ PHE 11 7.762 -8.002 -4.798 1165 H LYS 12 H LYS 12 5.883 -11.522 -11.691 1166 HA LYS 12 HA LYS 12 3.402 -10.233 -11.305 1167 1HB LYS 12 2HB LYS 12 4.955 -10.150 -13.325 1168 2HB LYS 12 3HB LYS 12 4.247 -11.688 -13.797 1169 1HG LYS 12 2HG LYS 12 3.227 -9.750 -14.927 1170 2HG LYS 12 3HG LYS 12 2.070 -10.692 -13.982 1171 1HD LYS 12 2HD LYS 12 1.478 -8.629 -13.245 1172 2HD LYS 12 3HD LYS 12 2.804 -8.923 -12.117 1173 1HE LYS 12 2HE LYS 12 3.990 -7.238 -12.955 1174 2HE LYS 12 3HE LYS 12 3.785 -7.839 -14.601 1175 1HZ LYS 12 HZ1 LYS 12 1.451 -6.828 -14.392 1176 2HZ LYS 12 HZ2 LYS 12 2.106 -5.939 -13.100 1177 3HZ LYS 12 HZ3 LYS 12 2.763 -5.790 -14.664 1178 H ALA 13 H ALA 13 4.278 -13.575 -11.488 1179 HA ALA 13 HA ALA 13 1.680 -14.574 -12.180 1180 1HB ALA 13 1HB ALA 13 4.133 -15.893 -11.035 1181 2HB ALA 13 2HB ALA 13 2.647 -16.766 -11.412 1182 3HB ALA 13 3HB ALA 13 3.545 -15.958 -12.697 1183 H GLN 14 H GLN 14 3.484 -14.109 -9.208 1184 HA GLN 14 HA GLN 14 1.471 -15.217 -7.494 1185 1HB GLN 14 2HB GLN 14 3.790 -13.376 -6.872 1186 2HB GLN 14 3HB GLN 14 2.790 -14.173 -5.669 1187 1HG GLN 14 2HG GLN 14 3.610 -16.268 -7.224 1188 2HG GLN 14 3HG GLN 14 5.014 -15.203 -7.243 1189 1HE2 GLN 14 1HE2 GLN 14 6.073 -14.738 -5.304 1190 2HE2 GLN 14 2HE2 GLN 14 5.868 -15.726 -3.890 1191 H VAL 15 H VAL 15 2.514 -11.945 -8.308 1192 HA VAL 15 HA VAL 15 0.706 -10.601 -6.674 1193 HB VAL 15 HB VAL 15 2.708 -9.917 -8.613 1194 1HG1 VAL 15 1HG1 VAL 15 0.100 -8.517 -8.924 1195 2HG1 VAL 15 2HG1 VAL 15 1.591 -7.582 -9.040 1196 3HG1 VAL 15 3HG1 VAL 15 1.311 -8.936 -10.135 1197 1HG2 VAL 15 1HG2 VAL 15 1.618 -8.982 -6.074 1198 2HG2 VAL 15 2HG2 VAL 15 3.287 -9.048 -6.642 1199 3HG2 VAL 15 3HG2 VAL 15 2.254 -7.692 -7.094 1200 H LYS 16 H LYS 16 0.331 -11.756 -9.984 1201 HA LYS 16 HA LYS 16 -2.011 -10.275 -10.581 1202 1HB LYS 16 2HB LYS 16 -0.448 -12.393 -11.829 1203 2HB LYS 16 3HB LYS 16 -2.173 -12.594 -12.100 1204 1HG LYS 16 2HG LYS 16 -2.350 -10.550 -13.224 1205 2HG LYS 16 3HG LYS 16 -0.794 -9.981 -12.615 1206 1HD LYS 16 2HD LYS 16 0.408 -11.274 -14.103 1207 2HD LYS 16 3HD LYS 16 -0.903 -12.440 -14.303 1208 1HE LYS 16 2HE LYS 16 -1.711 -9.807 -15.163 1209 2HE LYS 16 3HE LYS 16 -0.250 -10.328 -16.004 1210 1HZ LYS 16 HZ1 LYS 16 -1.397 -12.382 -16.605 1211 2HZ LYS 16 HZ2 LYS 16 -2.804 -11.836 -15.832 1212 3HZ LYS 16 HZ3 LYS 16 -2.215 -11.019 -17.198 1213 H ALA 17 H ALA 17 -1.466 -13.461 -9.180 1214 HA ALA 17 HA ALA 17 -4.048 -14.476 -9.323 1215 1HB ALA 17 1HB ALA 17 -1.678 -15.018 -7.628 1216 2HB ALA 17 2HB ALA 17 -3.226 -15.681 -7.104 1217 3HB ALA 17 3HB ALA 17 -2.583 -16.093 -8.693 1218 H ALA 18 H ALA 18 -2.660 -12.228 -7.044 1219 HA ALA 18 HA ALA 18 -4.641 -12.425 -5.047 1220 1HB ALA 18 1HB ALA 18 -2.297 -10.842 -5.543 1221 2HB ALA 18 2HB ALA 18 -3.604 -9.826 -4.937 1222 3HB ALA 18 3HB ALA 18 -3.079 -11.233 -4.012 1223 H LYS 19 H LYS 19 -4.484 -10.523 -8.011 1224 HA LYS 19 HA LYS 19 -6.860 -8.999 -7.355 1225 1HB LYS 19 2HB LYS 19 -6.290 -7.670 -9.078 1226 2HB LYS 19 3HB LYS 19 -4.750 -8.510 -9.023 1227 1HG LYS 19 2HG LYS 19 -5.309 -9.882 -10.847 1228 2HG LYS 19 3HG LYS 19 -7.021 -9.466 -10.737 1229 1HD LYS 19 2HD LYS 19 -6.405 -7.111 -11.311 1230 2HD LYS 19 3HD LYS 19 -4.756 -7.667 -11.604 1231 1HE LYS 19 2HE LYS 19 -5.296 -8.621 -13.574 1232 2HE LYS 19 3HE LYS 19 -6.847 -9.207 -12.979 1233 1HZ LYS 19 HZ1 LYS 19 -7.166 -6.498 -13.086 1234 2HZ LYS 19 HZ2 LYS 19 -6.248 -6.835 -14.474 1235 3HZ LYS 19 HZ3 LYS 19 -7.735 -7.611 -14.232 1236 H ALA 20 H ALA 20 -5.982 -11.938 -8.776 1237 HA ALA 20 HA ALA 20 -8.391 -12.284 -10.343 1238 1HB ALA 20 1HB ALA 20 -5.861 -13.759 -9.992 1239 2HB ALA 20 2HB ALA 20 -7.272 -14.713 -10.452 1240 3HB ALA 20 3HB ALA 20 -6.753 -13.364 -11.460 1241 H ASP 21 H ASP 21 -7.501 -12.864 -7.136 1242 HA ASP 21 HA ASP 21 -8.934 -15.261 -6.667 1243 1HB ASP 21 2HB ASP 21 -7.030 -14.324 -5.291 1244 2HB ASP 21 3HB ASP 21 -8.185 -13.185 -4.608 1245 H MET 22 H MET 22 -9.952 -11.981 -6.873 1246 HA MET 22 HA MET 22 -12.556 -12.740 -5.727 1247 1HB MET 22 2HB MET 22 -12.729 -10.168 -5.323 1248 2HB MET 22 3HB MET 22 -11.830 -11.174 -4.196 1249 1HG MET 22 2HG MET 22 -9.789 -10.561 -5.665 1250 2HG MET 22 3HG MET 22 -10.812 -9.245 -6.236 1251 1HE MET 22 1HE MET 22 -12.329 -8.048 -4.473 1252 2HE MET 22 2HE MET 22 -12.335 -8.888 -2.923 1253 3HE MET 22 3HE MET 22 -11.620 -7.282 -3.052 1254 H VAL 23 H VAL 23 -14.260 -10.991 -6.456 1255 HA VAL 23 HA VAL 23 -14.521 -11.294 -9.288 1256 HB VAL 23 HB VAL 23 -16.240 -9.624 -7.443 1257 1HG1 VAL 23 1HG1 VAL 23 -16.309 -9.626 -10.118 1258 2HG1 VAL 23 2HG1 VAL 23 -17.347 -11.016 -9.805 1259 3HG1 VAL 23 3HG1 VAL 23 -17.750 -9.442 -9.119 1260 1HG2 VAL 23 1HG2 VAL 23 -15.870 -12.463 -7.503 1261 2HG2 VAL 23 2HG2 VAL 23 -16.922 -11.499 -6.467 1262 3HG2 VAL 23 3HG2 VAL 23 -17.506 -12.069 -8.029 1263 H MET 24 H MET 24 -13.399 -10.052 -10.640 1264 HA MET 24 HA MET 24 -12.473 -7.438 -9.887 1265 1HB MET 24 2HB MET 24 -12.114 -9.250 -12.225 1266 2HB MET 24 3HB MET 24 -11.794 -7.535 -12.455 1267 1HG MET 24 2HG MET 24 -10.549 -8.489 -10.045 1268 2HG MET 24 3HG MET 24 -10.067 -9.462 -11.434 1269 1HE MET 24 1HE MET 24 -10.157 -6.287 -9.604 1270 2HE MET 24 2HE MET 24 -8.426 -6.614 -9.504 1271 3HE MET 24 3HE MET 24 -9.008 -5.205 -10.391 1272 H LEU 25 H LEU 25 -13.865 -5.786 -9.866 1273 HA LEU 25 HA LEU 25 -15.844 -5.598 -12.038 1274 1HB LEU 25 2HB LEU 25 -15.968 -5.141 -9.159 1275 2HB LEU 25 3HB LEU 25 -16.573 -3.773 -10.075 1276 HG LEU 25 HG LEU 25 -17.650 -6.567 -9.930 1277 1HD1 LEU 25 1HD1 LEU 25 -18.319 -4.341 -8.603 1278 2HD1 LEU 25 2HD1 LEU 25 -19.345 -4.152 -10.026 1279 3HD1 LEU 25 3HD1 LEU 25 -19.478 -5.601 -9.026 1280 1HD2 LEU 25 1HD2 LEU 25 -17.346 -5.907 -12.342 1281 2HD2 LEU 25 2HD2 LEU 25 -19.007 -6.240 -11.851 1282 3HD2 LEU 25 3HD2 LEU 25 -18.458 -4.574 -12.037 1283 H SER 26 H SER 26 -16.556 -3.005 -11.786 1284 HA SER 26 HA SER 26 -14.108 -1.418 -12.067 1285 1HB SER 26 2HB SER 26 -15.614 -0.148 -13.867 1286 2HB SER 26 3HB SER 26 -14.599 -1.515 -14.327 1287 HG SER 26 HG SER 26 -16.421 -2.862 -14.168 1288 HA PRO 27 HA PRO 27 -15.925 1.206 -9.051 1289 1HB PRO 27 2HB PRO 27 -15.313 3.683 -10.229 1290 2HB PRO 27 3HB PRO 27 -14.312 2.783 -9.089 1291 1HG PRO 27 2HG PRO 27 -14.163 2.902 -12.062 1292 2HG PRO 27 3HG PRO 27 -12.856 2.771 -10.871 1293 1HD PRO 27 2HD PRO 27 -13.617 0.655 -12.301 1294 2HD PRO 27 3HD PRO 27 -13.179 0.482 -10.591 1295 H LYS 28 H LYS 28 -16.930 1.455 -12.363 1296 HA LYS 28 HA LYS 28 -19.066 3.324 -11.943 1297 1HB LYS 28 2HB LYS 28 -18.345 1.411 -14.153 1298 2HB LYS 28 3HB LYS 28 -19.872 2.282 -14.164 1299 1HG LYS 28 2HG LYS 28 -18.342 4.370 -13.822 1300 2HG LYS 28 3HG LYS 28 -17.102 3.310 -14.496 1301 1HD LYS 28 2HD LYS 28 -19.735 3.505 -15.875 1302 2HD LYS 28 3HD LYS 28 -18.582 4.831 -16.051 1303 1HE LYS 28 2HE LYS 28 -17.533 2.090 -16.416 1304 2HE LYS 28 3HE LYS 28 -18.622 2.693 -17.664 1305 1HZ LYS 28 HZ1 LYS 28 -16.614 4.600 -16.899 1306 2HZ LYS 28 HZ2 LYS 28 -15.956 3.165 -17.527 1307 3HZ LYS 28 HZ3 LYS 28 -17.069 4.062 -18.443 1308 H ASP 29 H ASP 29 -18.802 -0.191 -12.239 1309 HA ASP 29 HA ASP 29 -21.595 -0.615 -11.638 1310 1HB ASP 29 2HB ASP 29 -19.896 -2.106 -13.042 1311 2HB ASP 29 3HB ASP 29 -19.615 -2.841 -11.464 1312 H ALA 30 H ALA 30 -18.551 -0.662 -9.989 1313 HA ALA 30 HA ALA 30 -19.375 -1.951 -7.608 1314 1HB ALA 30 1HB ALA 30 -16.996 -1.484 -8.381 1315 2HB ALA 30 2HB ALA 30 -17.222 0.136 -7.727 1316 3HB ALA 30 3HB ALA 30 -17.341 -1.267 -6.666 1317 H TYR 31 H TYR 31 -19.168 1.486 -8.500 1318 HA TYR 31 HA TYR 31 -20.179 2.413 -6.015 1319 1HB TYR 31 HB2 TYR 31 -18.979 3.993 -7.313 1320 2HB TYR 31 HB3 TYR 31 -19.966 3.690 -8.735 1321 HD1 TYR 31 HD1 TYR 31 -20.377 4.860 -5.205 1322 HD2 TYR 31 HD2 TYR 31 -21.571 5.265 -9.270 1323 HE1 TYR 31 HE1 TYR 31 -21.839 6.736 -4.584 1324 HE2 TYR 31 HE2 TYR 31 -23.038 7.136 -8.658 1325 HH TYR 31 HH TYR 31 -23.771 8.448 -7.052 1326 H LYS 32 H LYS 32 -21.689 1.288 -8.964 1327 HA LYS 32 HA LYS 32 -24.252 2.345 -8.578 1328 1HB LYS 32 2HB LYS 32 -23.426 1.263 -10.672 1329 2HB LYS 32 3HB LYS 32 -23.581 -0.297 -9.874 1330 1HG LYS 32 2HG LYS 32 -25.683 -0.393 -10.541 1331 2HG LYS 32 3HG LYS 32 -26.044 1.017 -9.543 1332 1HD LYS 32 2HD LYS 32 -24.743 1.784 -12.006 1333 2HD LYS 32 3HD LYS 32 -26.198 0.835 -12.320 1334 1HE LYS 32 2HE LYS 32 -27.520 2.530 -11.746 1335 2HE LYS 32 3HE LYS 32 -26.650 2.777 -10.233 1336 1HZ LYS 32 HZ1 LYS 32 -25.654 3.776 -12.838 1337 2HZ LYS 32 HZ2 LYS 32 -26.647 4.700 -11.820 1338 3HZ LYS 32 HZ3 LYS 32 -25.116 4.199 -11.289 1339 H LEU 33 H LEU 33 -22.890 -0.783 -7.540 1340 HA LEU 33 HA LEU 33 -25.291 -1.600 -6.244 1341 1HB LEU 33 2HB LEU 33 -23.643 -3.218 -5.034 1342 2HB LEU 33 3HB LEU 33 -24.029 -3.443 -6.726 1343 HG LEU 33 HG LEU 33 -21.797 -1.859 -6.869 1344 1HD1 LEU 33 1HD1 LEU 33 -21.678 -2.310 -4.312 1345 2HD1 LEU 33 2HD1 LEU 33 -21.092 -3.901 -4.805 1346 3HD1 LEU 33 3HD1 LEU 33 -20.218 -2.448 -5.295 1347 1HD2 LEU 33 1HD2 LEU 33 -22.599 -4.264 -7.806 1348 2HD2 LEU 33 2HD2 LEU 33 -20.977 -3.604 -8.031 1349 3HD2 LEU 33 3HD2 LEU 33 -21.289 -4.753 -6.729 1350 H LEU 34 H LEU 34 -22.610 0.373 -5.306 1351 HA LEU 34 HA LEU 34 -23.066 0.227 -2.477 1352 1HB LEU 34 2HB LEU 34 -21.675 2.354 -4.109 1353 2HB LEU 34 3HB LEU 34 -21.628 2.224 -2.362 1354 HG LEU 34 HG LEU 34 -20.576 0.076 -4.192 1355 1HD1 LEU 34 1HD1 LEU 34 -19.398 2.640 -3.375 1356 2HD1 LEU 34 2HD1 LEU 34 -18.373 1.228 -3.132 1357 3HD1 LEU 34 3HD1 LEU 34 -19.008 1.591 -4.736 1358 1HD2 LEU 34 1HD2 LEU 34 -21.031 0.262 -1.391 1359 2HD2 LEU 34 2HD2 LEU 34 -20.332 -1.069 -2.314 1360 3HD2 LEU 34 3HD2 LEU 34 -19.289 0.206 -1.678 1361 H GLN 35 H GLN 35 -23.932 2.480 -5.055 1362 HA GLN 35 HA GLN 35 -25.200 4.330 -3.335 1363 1HB GLN 35 2HB GLN 35 -25.692 5.583 -5.255 1364 2HB GLN 35 3HB GLN 35 -24.154 4.802 -5.582 1365 1HG GLN 35 2HG GLN 35 -24.962 3.708 -7.341 1366 2HG GLN 35 3HG GLN 35 -26.436 3.246 -6.488 1367 1HE2 GLN 35 1HE2 GLN 35 -27.848 3.714 -8.114 1368 2HE2 GLN 35 2HE2 GLN 35 -28.151 5.335 -8.643 1369 H GLU 36 H GLU 36 -26.349 1.469 -4.919 1370 HA GLU 36 HA GLU 36 -29.111 2.292 -4.379 1371 1HB GLU 36 2HB GLU 36 -27.836 0.623 -6.416 1372 2HB GLU 36 3HB GLU 36 -29.295 -0.086 -5.734 1373 1HG GLU 36 2HG GLU 36 -30.652 1.557 -6.554 1374 2HG GLU 36 3HG GLU 36 -29.367 2.764 -6.565 1375 H ASN 37 H ASN 37 -26.674 0.433 -3.006 1376 HA ASN 37 HA ASN 37 -28.684 -0.995 -1.396 1377 1HB ASN 37 2HB ASN 37 -26.173 -2.091 -2.621 1378 2HB ASN 37 3HB ASN 37 -26.795 -2.771 -1.123 1379 1HD2 ASN 37 1HD2 ASN 37 -26.750 -3.169 -4.332 1380 2HD2 ASN 37 2HD2 ASN 37 -28.240 -4.022 -4.559 1381 HA PRO 38 HA PRO 38 -26.414 1.433 1.620 1382 1HB PRO 38 2HB PRO 38 -28.470 0.470 3.474 1383 2HB PRO 38 3HB PRO 38 -28.109 2.120 2.965 1384 1HG PRO 38 2HG PRO 38 -30.348 0.848 2.188 1385 2HG PRO 38 3HG PRO 38 -29.510 2.006 1.138 1386 1HD PRO 38 2HD PRO 38 -29.435 -0.992 1.092 1387 2HD PRO 38 3HD PRO 38 -29.556 0.151 -0.264 1388 H ASP 39 H ASP 39 -26.753 -1.882 1.392 1389 HA ASP 39 HA ASP 39 -25.417 -2.360 3.955 1390 1HB ASP 39 2HB ASP 39 -27.569 -3.640 2.952 1391 2HB ASP 39 3HB ASP 39 -26.286 -4.669 2.324 1392 H ILE 40 H ILE 40 -24.957 -2.526 0.522 1393 HA ILE 40 HA ILE 40 -22.554 -4.119 0.692 1394 HB ILE 40 HB ILE 40 -23.514 -2.419 -1.620 1395 1HG1 ILE 40 2HG1 ILE 40 -23.926 -5.364 -1.027 1396 2HG1 ILE 40 3HG1 ILE 40 -25.174 -4.125 -1.080 1397 1HG2 ILE 40 1HG2 ILE 40 -21.067 -3.106 -1.475 1398 2HG2 ILE 40 2HG2 ILE 40 -21.630 -4.760 -1.712 1399 3HG2 ILE 40 3HG2 ILE 40 -21.929 -3.541 -2.950 1400 1HD1 ILE 40 1HD1 ILE 40 -23.610 -4.346 -3.539 1401 2HD1 ILE 40 2HD1 ILE 40 -24.528 -5.793 -3.124 1402 3HD1 ILE 40 3HD1 ILE 40 -25.354 -4.245 -3.302 1403 H THR 41 H THR 41 -20.855 -3.298 1.646 1404 HA THR 41 HA THR 41 -20.476 -0.402 1.687 1405 HB THR 41 HB THR 41 -18.810 -2.312 3.278 1406 HG1 THR 41 HG1 THR 41 -21.415 -2.456 3.299 1407 1HG2 THR 41 1HG2 THR 41 -18.732 0.332 3.180 1408 2HG2 THR 41 2HG2 THR 41 -20.050 0.179 4.340 1409 3HG2 THR 41 3HG2 THR 41 -18.477 -0.539 4.691 1410 H LEU 42 H LEU 42 -18.568 0.635 1.082 1411 HA LEU 42 HA LEU 42 -16.683 -1.007 -0.468 1412 1HB LEU 42 2HB LEU 42 -17.426 0.629 -1.958 1413 2HB LEU 42 3HB LEU 42 -17.545 1.854 -0.706 1414 HG LEU 42 HG LEU 42 -14.918 1.601 -0.660 1415 1HD1 LEU 42 1HD1 LEU 42 -15.712 0.051 -2.974 1416 2HD1 LEU 42 2HD1 LEU 42 -14.624 1.373 -3.401 1417 3HD1 LEU 42 3HD1 LEU 42 -14.137 0.187 -2.190 1418 1HD2 LEU 42 1HD2 LEU 42 -16.314 3.601 -1.288 1419 2HD2 LEU 42 2HD2 LEU 42 -14.751 3.479 -2.096 1420 3HD2 LEU 42 3HD2 LEU 42 -16.226 3.039 -2.958 1421 H ILE 43 H ILE 43 -14.741 -1.323 0.355 1422 HA ILE 43 HA ILE 43 -13.839 0.424 2.543 1423 HB ILE 43 HB ILE 43 -13.262 -2.454 1.923 1424 1HG1 ILE 43 2HG1 ILE 43 -13.375 -2.094 4.648 1425 2HG1 ILE 43 3HG1 ILE 43 -14.486 -0.860 4.056 1426 1HG2 ILE 43 1HG2 ILE 43 -11.176 -0.728 2.432 1427 2HG2 ILE 43 2HG2 ILE 43 -11.574 -1.351 4.033 1428 3HG2 ILE 43 3HG2 ILE 43 -11.168 -2.464 2.728 1429 1HD1 ILE 43 1HD1 ILE 43 -14.616 -3.802 3.422 1430 2HD1 ILE 43 2HD1 ILE 43 -15.643 -2.936 4.567 1431 3HD1 ILE 43 3HD1 ILE 43 -15.735 -2.565 2.845 1432 H ASP 44 H ASP 44 -12.523 1.943 1.896 1433 HA ASP 44 HA ASP 44 -10.874 1.438 -0.472 1434 1HB ASP 44 2HB ASP 44 -11.904 3.391 -1.016 1435 2HB ASP 44 3HB ASP 44 -12.176 3.838 0.658 1436 H VAL 45 H VAL 45 -8.747 1.420 -0.384 1437 HA VAL 45 HA VAL 45 -7.473 1.985 2.212 1438 HB VAL 45 HB VAL 45 -6.005 0.083 0.550 1439 1HG1 VAL 45 1HG1 VAL 45 -6.003 0.783 3.140 1440 2HG1 VAL 45 2HG1 VAL 45 -7.035 -0.647 3.219 1441 3HG1 VAL 45 3HG1 VAL 45 -5.402 -0.770 2.558 1442 1HG2 VAL 45 1HG2 VAL 45 -8.855 -0.380 0.938 1443 2HG2 VAL 45 2HG2 VAL 45 -7.702 -1.224 -0.099 1444 3HG2 VAL 45 3HG2 VAL 45 -7.848 -1.666 1.604 1445 H ARG 46 H ARG 46 -6.688 3.947 1.785 1446 HA ARG 46 HA ARG 46 -4.521 4.168 -0.144 1447 1HB ARG 46 2HB ARG 46 -6.921 6.014 -0.136 1448 2HB ARG 46 3HB ARG 46 -5.420 6.351 -0.985 1449 1HG ARG 46 2HG ARG 46 -6.398 3.755 -1.710 1450 2HG ARG 46 3HG ARG 46 -7.658 4.967 -1.930 1451 1HD ARG 46 2HD ARG 46 -5.924 4.423 -3.832 1452 2HD ARG 46 3HD ARG 46 -6.519 6.057 -3.571 1453 HE ARG 46 HE ARG 46 -4.375 6.684 -3.172 1454 1HH1 ARG 46 1HH1 ARG 46 -4.598 3.268 -2.338 1455 2HH1 ARG 46 2HH1 ARG 46 -2.903 3.131 -2.014 1456 1HH2 ARG 46 1HH2 ARG 46 -2.193 6.483 -2.762 1457 2HH2 ARG 46 2HH2 ARG 46 -1.515 4.958 -2.239 1458 H ASP 47 H ASP 47 -3.318 6.246 0.191 1459 HA ASP 47 HA ASP 47 -2.872 6.634 2.974 1460 1HB ASP 47 2HB ASP 47 -1.047 6.774 1.327 1461 2HB ASP 47 3HB ASP 47 -1.797 8.209 0.626 1462 HA PRO 48 HA PRO 48 -5.878 9.751 3.762 1463 1HB PRO 48 2HB PRO 48 -4.697 10.929 5.937 1464 2HB PRO 48 3HB PRO 48 -5.603 9.414 5.994 1465 1HG PRO 48 2HG PRO 48 -2.648 9.856 5.866 1466 2HG PRO 48 3HG PRO 48 -3.567 8.685 6.831 1467 1HD PRO 48 2HD PRO 48 -2.293 7.974 4.572 1468 2HD PRO 48 3HD PRO 48 -3.840 7.240 5.047 1469 H ASP 49 H ASP 49 -2.495 10.668 3.319 1470 HA ASP 49 HA ASP 49 -3.160 13.481 3.044 1471 1HB ASP 49 2HB ASP 49 -0.823 12.321 3.693 1472 2HB ASP 49 3HB ASP 49 -0.570 12.502 1.958 1473 H GLU 50 H GLU 50 -2.708 10.697 1.005 1474 HA GLU 50 HA GLU 50 -2.824 12.037 -1.516 1475 1HB GLU 50 2HB GLU 50 -2.956 9.275 -0.515 1476 2HB GLU 50 3HB GLU 50 -3.946 9.565 -1.938 1477 1HG GLU 50 2HG GLU 50 -1.795 10.653 -2.896 1478 2HG GLU 50 3HG GLU 50 -0.986 9.733 -1.628 1479 H LEU 51 H LEU 51 -5.137 10.840 0.807 1480 HA LEU 51 HA LEU 51 -7.492 11.094 -0.750 1481 1HB LEU 51 2HB LEU 51 -6.777 10.446 1.958 1482 2HB LEU 51 3HB LEU 51 -8.115 11.577 1.962 1483 HG LEU 51 HG LEU 51 -9.353 10.025 0.441 1484 1HD1 LEU 51 1HD1 LEU 51 -6.800 8.681 0.461 1485 2HD1 LEU 51 2HD1 LEU 51 -8.103 7.601 0.958 1486 3HD1 LEU 51 3HD1 LEU 51 -8.193 8.440 -0.592 1487 1HD2 LEU 51 1HD2 LEU 51 -9.526 10.093 2.981 1488 2HD2 LEU 51 2HD2 LEU 51 -10.102 8.631 2.179 1489 3HD2 LEU 51 3HD2 LEU 51 -8.529 8.638 2.976 1490 H LYS 52 H LYS 52 -5.648 13.283 1.253 1491 HA LYS 52 HA LYS 52 -7.541 15.414 1.263 1492 1HB LYS 52 2HB LYS 52 -4.618 15.190 1.895 1493 2HB LYS 52 3HB LYS 52 -5.357 16.777 1.747 1494 1HG LYS 52 2HG LYS 52 -6.210 16.642 3.785 1495 2HG LYS 52 3HG LYS 52 -6.946 15.074 3.440 1496 1HD LYS 52 2HD LYS 52 -5.441 14.103 4.760 1497 2HD LYS 52 3HD LYS 52 -4.159 14.659 3.684 1498 1HE LYS 52 2HE LYS 52 -4.753 16.913 5.129 1499 2HE LYS 52 3HE LYS 52 -4.962 15.631 6.319 1500 1HZ LYS 52 HZ1 LYS 52 -2.560 15.542 4.650 1501 2HZ LYS 52 HZ2 LYS 52 -2.634 16.736 5.855 1502 3HZ LYS 52 HZ3 LYS 52 -2.769 15.097 6.274 1503 H ALA 53 H ALA 53 -4.792 14.549 -0.758 1504 HA ALA 53 HA ALA 53 -4.844 16.985 -2.234 1505 1HB ALA 53 1HB ALA 53 -2.842 15.478 -1.763 1506 2HB ALA 53 2HB ALA 53 -3.428 14.486 -3.098 1507 3HB ALA 53 3HB ALA 53 -2.975 16.167 -3.380 1508 H MET 54 H MET 54 -5.726 13.635 -3.079 1509 HA MET 54 HA MET 54 -6.665 14.600 -5.670 1510 1HB MET 54 2HB MET 54 -6.362 11.792 -4.592 1511 2HB MET 54 3HB MET 54 -6.877 12.186 -6.226 1512 1HG MET 54 2HG MET 54 -4.498 13.592 -5.830 1513 2HG MET 54 3HG MET 54 -4.230 11.995 -5.138 1514 1HE MET 54 1HE MET 54 -3.436 10.372 -6.050 1515 2HE MET 54 2HE MET 54 -4.306 9.529 -7.332 1516 3HE MET 54 3HE MET 54 -2.779 10.336 -7.687 1517 H GLY 55 H GLY 55 -7.935 13.123 -2.762 1518 1HA GLY 55 1HA GLY 55 -10.248 13.826 -2.208 1519 2HA GLY 55 2HA GLY 55 -10.647 13.423 -3.874 1520 H LYS 56 H LYS 56 -12.160 12.248 -2.038 1521 HA LYS 56 HA LYS 56 -11.334 9.454 -2.250 1522 1HB LYS 56 2HB LYS 56 -12.287 9.069 0.082 1523 2HB LYS 56 3HB LYS 56 -10.717 9.854 -0.001 1524 1HG LYS 56 2HG LYS 56 -11.530 11.869 0.727 1525 2HG LYS 56 3HG LYS 56 -13.159 11.549 0.130 1526 1HD LYS 56 2HD LYS 56 -13.724 10.267 1.962 1527 2HD LYS 56 3HD LYS 56 -12.046 9.861 2.322 1528 1HE LYS 56 2HE LYS 56 -11.630 11.974 3.272 1529 2HE LYS 56 3HE LYS 56 -13.103 12.659 2.588 1530 1HZ LYS 56 HZ1 LYS 56 -13.910 10.536 4.161 1531 2HZ LYS 56 HZ2 LYS 56 -12.736 11.349 5.070 1532 3HZ LYS 56 HZ3 LYS 56 -14.091 12.188 4.493 1533 HA PRO 57 HA PRO 57 -15.392 8.776 -3.734 1534 1HB PRO 57 2HB PRO 57 -16.155 6.504 -2.332 1535 2HB PRO 57 3HB PRO 57 -15.210 6.525 -3.822 1536 1HG PRO 57 2HG PRO 57 -14.290 6.252 -0.997 1537 2HG PRO 57 3HG PRO 57 -13.669 5.468 -2.461 1538 1HD PRO 57 2HD PRO 57 -12.386 7.526 -1.303 1539 2HD PRO 57 3HD PRO 57 -12.412 7.318 -3.068 1540 H ASP 58 H ASP 58 -17.139 9.918 -3.261 1541 HA ASP 58 HA ASP 58 -17.942 10.204 -0.459 1542 1HB ASP 58 2HB ASP 58 -17.640 12.279 -1.767 1543 2HB ASP 58 3HB ASP 58 -18.882 11.740 -2.893 1544 H VAL 59 H VAL 59 -18.716 7.946 -0.540 1545 HA VAL 59 HA VAL 59 -21.417 7.831 -1.693 1546 HB VAL 59 HB VAL 59 -21.289 5.497 -1.937 1547 1HG1 VAL 59 1HG1 VAL 59 -19.519 7.093 -3.263 1548 2HG1 VAL 59 2HG1 VAL 59 -18.470 5.814 -2.652 1549 3HG1 VAL 59 3HG1 VAL 59 -19.861 5.408 -3.657 1550 1HG2 VAL 59 1HG2 VAL 59 -20.103 5.253 0.350 1551 2HG2 VAL 59 2HG2 VAL 59 -19.830 4.034 -0.894 1552 3HG2 VAL 59 3HG2 VAL 59 -18.621 5.283 -0.603 1553 H LYS 60 H LYS 60 -22.850 6.293 -0.324 1554 HA LYS 60 HA LYS 60 -22.983 7.520 2.242 1555 1HB LYS 60 2HB LYS 60 -24.724 5.193 1.793 1556 2HB LYS 60 3HB LYS 60 -25.135 6.827 2.286 1557 1HG LYS 60 2HG LYS 60 -26.080 6.986 0.278 1558 2HG LYS 60 3HG LYS 60 -24.437 7.190 -0.329 1559 1HD LYS 60 2HD LYS 60 -25.228 5.482 -1.673 1560 2HD LYS 60 3HD LYS 60 -24.437 4.577 -0.382 1561 1HE LYS 60 2HE LYS 60 -26.725 3.756 -1.050 1562 2HE LYS 60 3HE LYS 60 -26.506 4.092 0.667 1563 1HZ LYS 60 HZ1 LYS 60 -27.541 6.240 -1.035 1564 2HZ LYS 60 HZ2 LYS 60 -28.590 4.963 -0.643 1565 3HZ LYS 60 HZ3 LYS 60 -27.879 5.889 0.590 1566 H ASN 61 H ASN 61 -21.910 4.422 1.071 1567 HA ASN 61 HA ASN 61 -21.347 3.612 3.840 1568 1HB ASN 61 2HB ASN 61 -21.406 1.226 2.659 1569 2HB ASN 61 3HB ASN 61 -22.859 1.977 3.305 1570 1HD2 ASN 61 1HD2 ASN 61 -24.160 0.824 1.924 1571 2HD2 ASN 61 2HD2 ASN 61 -24.262 1.143 0.228 1572 H TYR 62 H TYR 62 -19.406 4.960 3.177 1573 HA TYR 62 HA TYR 62 -17.415 3.191 1.930 1574 1HB TYR 62 HB2 TYR 62 -17.326 5.036 0.544 1575 2HB TYR 62 HB3 TYR 62 -17.826 6.148 1.812 1576 HD1 TYR 62 HD1 TYR 62 -14.947 3.790 1.450 1577 HD2 TYR 62 HD2 TYR 62 -16.254 7.774 2.114 1578 HE1 TYR 62 HE1 TYR 62 -12.617 4.494 1.750 1579 HE2 TYR 62 HE2 TYR 62 -13.922 8.500 2.407 1580 HH TYR 62 HH TYR 62 -11.262 6.501 1.577 1581 H LYS 63 H LYS 63 -15.898 2.423 3.265 1582 HA LYS 63 HA LYS 63 -15.400 3.894 5.768 1583 1HB LYS 63 2HB LYS 63 -15.259 0.890 5.463 1584 2HB LYS 63 3HB LYS 63 -15.142 1.816 6.952 1585 1HG LYS 63 2HG LYS 63 -17.592 2.567 5.990 1586 2HG LYS 63 3HG LYS 63 -17.493 0.874 5.504 1587 1HD LYS 63 2HD LYS 63 -16.567 0.739 8.051 1588 2HD LYS 63 3HD LYS 63 -17.722 2.066 8.185 1589 1HE LYS 63 2HE LYS 63 -19.181 0.311 6.754 1590 2HE LYS 63 3HE LYS 63 -18.174 -0.808 7.672 1591 1HZ LYS 63 HZ1 LYS 63 -19.429 1.375 9.156 1592 2HZ LYS 63 HZ2 LYS 63 -20.454 0.143 8.600 1593 3HZ LYS 63 HZ3 LYS 63 -19.152 -0.232 9.618 1594 H HIS 64 H HIS 64 -13.382 4.629 5.863 1595 HA HIS 64 HA HIS 64 -11.314 3.597 4.118 1596 1HB HIS 64 2HB HIS 64 -11.732 6.070 4.968 1597 2HB HIS 64 3HB HIS 64 -10.775 5.530 6.344 1598 HD1 HIS 64 HD1 HIS 64 -8.596 6.704 5.957 1599 HD2 HIS 64 HD2 HIS 64 -9.974 4.734 2.567 1600 HE1 HIS 64 HE1 HIS 64 -6.773 6.944 4.246 1601 HE2 HIS 64 HE2 HIS 64 -7.726 5.923 2.149 1602 H MET 65 H MET 65 -10.196 1.807 4.672 1603 HA MET 65 HA MET 65 -9.772 1.309 7.554 1604 1HB MET 65 2HB MET 65 -10.715 -0.393 5.429 1605 2HB MET 65 3HB MET 65 -9.218 -1.039 6.087 1606 1HG MET 65 2HG MET 65 -10.676 -2.051 7.483 1607 2HG MET 65 3HG MET 65 -10.456 -0.548 8.378 1608 1HE MET 65 1HE MET 65 -12.072 1.607 7.827 1609 2HE MET 65 2HE MET 65 -13.743 1.229 8.246 1610 3HE MET 65 3HE MET 65 -12.429 0.705 9.300 1611 H SER 66 H SER 66 -7.859 2.492 7.716 1612 HA SER 66 HA SER 66 -5.649 1.534 6.024 1613 1HB SER 66 2HB SER 66 -5.119 4.141 7.089 1614 2HB SER 66 3HB SER 66 -5.302 3.652 5.403 1615 HG SER 66 HG SER 66 -7.412 4.316 7.193 1616 H ARG 67 H ARG 67 -4.938 -0.007 7.457 1617 HA ARG 67 HA ARG 67 -3.539 1.103 9.802 1618 1HB ARG 67 2HB ARG 67 -5.321 -0.877 10.046 1619 2HB ARG 67 3HB ARG 67 -3.924 -1.844 9.591 1620 1HG ARG 67 2HG ARG 67 -4.292 -1.595 12.052 1621 2HG ARG 67 3HG ARG 67 -2.693 -1.118 11.481 1622 1HD ARG 67 2HD ARG 67 -4.739 1.014 11.600 1623 2HD ARG 67 3HD ARG 67 -4.179 0.376 13.147 1624 HE ARG 67 HE ARG 67 -2.720 2.052 11.330 1625 1HH1 ARG 67 1HH1 ARG 67 -2.391 -0.382 13.847 1626 2HH1 ARG 67 2HH1 ARG 67 -0.748 0.048 14.220 1627 1HH2 ARG 67 1HH2 ARG 67 -0.575 2.623 11.836 1628 2HH2 ARG 67 2HH2 ARG 67 0.267 1.802 13.121 1629 H GLY 68 H GLY 68 -2.264 -1.911 9.413 1630 1HA GLY 68 1HA GLY 68 -0.164 -0.954 7.617 1631 2HA GLY 68 2HA GLY 68 -0.165 -2.472 8.518 1632 H LYS 69 H LYS 69 -2.649 -3.394 7.957 1633 HA LYS 69 HA LYS 69 -3.156 -3.254 5.138 1634 1HB LYS 69 2HB LYS 69 -1.831 -5.587 6.277 1635 2HB LYS 69 3HB LYS 69 -3.351 -5.997 5.490 1636 1HG LYS 69 2HG LYS 69 -1.067 -4.486 4.231 1637 2HG LYS 69 3HG LYS 69 -1.471 -6.179 3.951 1638 1HD LYS 69 2HD LYS 69 -2.550 -5.287 2.163 1639 2HD LYS 69 3HD LYS 69 -3.835 -5.092 3.354 1640 1HE LYS 69 2HE LYS 69 -3.682 -3.019 2.240 1641 2HE LYS 69 3HE LYS 69 -2.885 -2.781 3.794 1642 1HZ LYS 69 HZ1 LYS 69 -0.884 -3.595 2.138 1643 2HZ LYS 69 HZ2 LYS 69 -1.813 -2.580 1.149 1644 3HZ LYS 69 HZ3 LYS 69 -1.185 -2.000 2.619 1645 H LEU 70 H LEU 70 -4.503 -2.245 7.204 1646 HA LEU 70 HA LEU 70 -6.536 -1.968 8.102 1647 1HB LEU 70 2HB LEU 70 -8.256 -2.216 6.670 1648 2HB LEU 70 3HB LEU 70 -6.928 -2.477 5.563 1649 HG LEU 70 HG LEU 70 -7.753 -4.993 6.679 1650 1HD1 LEU 70 1HD1 LEU 70 -9.885 -3.118 6.214 1651 2HD1 LEU 70 2HD1 LEU 70 -9.985 -4.469 5.083 1652 3HD1 LEU 70 3HD1 LEU 70 -9.961 -4.774 6.818 1653 1HD2 LEU 70 1HD2 LEU 70 -6.629 -4.165 4.413 1654 2HD2 LEU 70 2HD2 LEU 70 -7.528 -5.678 4.523 1655 3HD2 LEU 70 3HD2 LEU 70 -8.305 -4.236 3.869 1656 H GLU 71 H GLU 71 -5.097 -4.872 8.450 1657 HA GLU 71 HA GLU 71 -6.870 -6.731 9.271 1658 1HB GLU 71 2HB GLU 71 -4.567 -6.450 11.108 1659 2HB GLU 71 3HB GLU 71 -5.126 -7.848 10.203 1660 1HG GLU 71 2HG GLU 71 -3.279 -7.502 8.990 1661 2HG GLU 71 3HG GLU 71 -4.259 -6.277 8.187 1662 HA PRO 72 HA PRO 72 -7.335 -5.201 13.787 1663 1HB PRO 72 2HB PRO 72 -6.094 -2.560 13.989 1664 2HB PRO 72 3HB PRO 72 -5.826 -4.000 14.976 1665 1HG PRO 72 2HG PRO 72 -3.963 -3.075 13.269 1666 2HG PRO 72 3HG PRO 72 -4.177 -4.809 13.579 1667 1HD PRO 72 2HD PRO 72 -5.175 -3.162 11.275 1668 2HD PRO 72 3HD PRO 72 -4.393 -4.759 11.260 1669 H LEU 73 H LEU 73 -7.649 -3.034 11.131 1670 HA LEU 73 HA LEU 73 -9.515 -1.284 12.463 1671 1HB LEU 73 2HB LEU 73 -7.893 -1.196 10.123 1672 2HB LEU 73 3HB LEU 73 -9.555 -0.922 9.638 1673 HG LEU 73 HG LEU 73 -8.166 1.136 10.158 1674 1HD1 LEU 73 1HD1 LEU 73 -10.884 0.486 10.883 1675 2HD1 LEU 73 2HD1 LEU 73 -10.228 1.773 11.897 1676 3HD1 LEU 73 3HD1 LEU 73 -10.230 1.948 10.142 1677 1HD2 LEU 73 1HD2 LEU 73 -7.330 -0.092 12.338 1678 2HD2 LEU 73 2HD2 LEU 73 -7.512 1.660 12.281 1679 3HD2 LEU 73 3HD2 LEU 73 -8.762 0.667 13.032 1680 H LEU 74 H LEU 74 -9.672 -4.222 10.785 1681 HA LEU 74 HA LEU 74 -12.106 -4.068 9.438 1682 1HB LEU 74 2HB LEU 74 -10.240 -5.949 9.667 1683 2HB LEU 74 3HB LEU 74 -11.363 -6.584 10.853 1684 HG LEU 74 HG LEU 74 -13.107 -6.760 9.160 1685 1HD1 LEU 74 1HD1 LEU 74 -11.836 -4.792 7.827 1686 2HD1 LEU 74 2HD1 LEU 74 -11.290 -6.197 6.915 1687 3HD1 LEU 74 3HD1 LEU 74 -13.016 -5.877 7.093 1688 1HD2 LEU 74 1HD2 LEU 74 -10.665 -8.216 9.208 1689 2HD2 LEU 74 2HD2 LEU 74 -12.283 -8.777 8.781 1690 3HD2 LEU 74 3HD2 LEU 74 -11.224 -8.110 7.537 1691 H ALA 75 H ALA 75 -11.436 -5.125 12.754 1692 HA ALA 75 HA ALA 75 -14.128 -5.632 13.440 1693 1HB ALA 75 1HB ALA 75 -11.556 -5.501 14.853 1694 2HB ALA 75 2HB ALA 75 -12.970 -5.149 15.845 1695 3HB ALA 75 3HB ALA 75 -12.862 -6.680 14.978 1696 H LYS 76 H LYS 76 -12.227 -2.734 13.380 1697 HA LYS 76 HA LYS 76 -13.790 -1.241 15.213 1698 1HB LYS 76 2HB LYS 76 -11.951 -0.192 13.063 1699 2HB LYS 76 3HB LYS 76 -12.502 0.676 14.488 1700 1HG LYS 76 2HG LYS 76 -11.029 -1.882 14.847 1701 2HG LYS 76 3HG LYS 76 -10.133 -0.428 14.406 1702 1HD LYS 76 2HD LYS 76 -11.970 0.225 16.487 1703 2HD LYS 76 3HD LYS 76 -11.062 -1.212 16.962 1704 1HE LYS 76 2HE LYS 76 -8.974 0.034 16.308 1705 2HE LYS 76 3HE LYS 76 -9.977 1.475 16.149 1706 1HZ LYS 76 HZ1 LYS 76 -9.825 -0.131 18.639 1707 2HZ LYS 76 HZ2 LYS 76 -8.829 1.211 18.333 1708 3HZ LYS 76 HZ3 LYS 76 -10.513 1.408 18.436 1709 H SER 77 H SER 77 -14.020 -1.778 11.754 1710 HA SER 77 HA SER 77 -15.685 0.468 11.224 1711 1HB SER 77 2HB SER 77 -16.166 -1.530 9.284 1712 2HB SER 77 3HB SER 77 -15.098 -0.134 9.149 1713 HG SER 77 HG SER 77 -13.572 -1.570 9.050 1714 H GLY 78 H GLY 78 -16.273 -2.874 12.126 1715 1HA GLY 78 1HA GLY 78 -18.248 -3.658 13.163 1716 2HA GLY 78 2HA GLY 78 -19.092 -2.228 12.581 1717 H LEU 79 H LEU 79 -17.134 -4.701 10.969 1718 HA LEU 79 HA LEU 79 -19.204 -4.930 8.923 1719 1HB LEU 79 2HB LEU 79 -16.381 -6.002 8.995 1720 2HB LEU 79 3HB LEU 79 -17.484 -6.145 7.640 1721 HG LEU 79 HG LEU 79 -16.699 -3.451 8.704 1722 1HD1 LEU 79 1HD1 LEU 79 -14.892 -5.329 7.664 1723 2HD1 LEU 79 2HD1 LEU 79 -15.217 -4.182 6.365 1724 3HD1 LEU 79 3HD1 LEU 79 -14.630 -3.603 7.924 1725 1HD2 LEU 79 1HD2 LEU 79 -18.277 -4.491 6.517 1726 2HD2 LEU 79 2HD2 LEU 79 -18.145 -2.841 7.128 1727 3HD2 LEU 79 3HD2 LEU 79 -16.987 -3.435 5.939 1728 H ASP 80 H ASP 80 -20.068 -6.908 8.298 1729 HA ASP 80 HA ASP 80 -19.433 -9.242 9.932 1730 1HB ASP 80 2HB ASP 80 -21.667 -7.845 10.543 1731 2HB ASP 80 3HB ASP 80 -22.308 -8.898 9.284 1732 HA PRO 81 HA PRO 81 -19.091 -11.001 5.936 1733 1HB PRO 81 2HB PRO 81 -19.676 -13.602 7.216 1734 2HB PRO 81 3HB PRO 81 -18.227 -13.070 6.345 1735 1HG PRO 81 2HG PRO 81 -18.216 -13.358 9.000 1736 2HG PRO 81 3HG PRO 81 -17.327 -12.040 8.213 1737 1HD PRO 81 2HD PRO 81 -19.965 -11.971 9.630 1738 2HD PRO 81 3HD PRO 81 -18.623 -10.805 9.684 1739 H GLU 82 H GLU 82 -21.943 -10.341 6.945 1740 HA GLU 82 HA GLU 82 -23.342 -12.236 5.178 1741 1HB GLU 82 2HB GLU 82 -25.410 -11.607 6.309 1742 2HB GLU 82 3HB GLU 82 -24.231 -12.184 7.479 1743 1HG GLU 82 2HG GLU 82 -24.375 -10.298 8.625 1744 2HG GLU 82 3HG GLU 82 -23.985 -9.349 7.190 1745 H LYS 83 H LYS 83 -21.833 -9.418 5.088 1746 HA LYS 83 HA LYS 83 -23.802 -8.152 3.307 1747 1HB LYS 83 2HB LYS 83 -21.726 -6.919 5.113 1748 2HB LYS 83 3HB LYS 83 -22.566 -6.012 3.863 1749 1HG LYS 83 2HG LYS 83 -24.323 -5.710 5.173 1750 2HG LYS 83 3HG LYS 83 -24.443 -7.439 5.504 1751 1HD LYS 83 2HD LYS 83 -23.069 -7.298 7.380 1752 2HD LYS 83 3HD LYS 83 -22.383 -5.751 6.877 1753 1HE LYS 83 2HE LYS 83 -24.216 -5.920 8.790 1754 2HE LYS 83 3HE LYS 83 -24.142 -4.552 7.682 1755 1HZ LYS 83 HZ1 LYS 83 -25.819 -6.924 7.101 1756 2HZ LYS 83 HZ2 LYS 83 -26.397 -5.636 8.046 1757 3HZ LYS 83 HZ3 LYS 83 -25.922 -5.362 6.439 1758 HA PRO 84 HA PRO 84 -20.683 -8.656 0.123 1759 1HB PRO 84 2HB PRO 84 -22.213 -6.751 -1.455 1760 2HB PRO 84 3HB PRO 84 -21.980 -8.477 -1.732 1761 1HG PRO 84 2HG PRO 84 -24.367 -7.399 -1.012 1762 2HG PRO 84 3HG PRO 84 -23.882 -9.050 -0.584 1763 1HD PRO 84 2HD PRO 84 -23.842 -6.564 1.089 1764 2HD PRO 84 3HD PRO 84 -24.314 -8.222 1.534 1765 H VAL 85 H VAL 85 -18.910 -7.466 -0.475 1766 HA VAL 85 HA VAL 85 -18.912 -4.584 0.077 1767 HB VAL 85 HB VAL 85 -16.576 -4.958 1.104 1768 1HG1 VAL 85 1HG1 VAL 85 -18.872 -4.358 2.223 1769 2HG1 VAL 85 2HG1 VAL 85 -18.703 -5.967 2.925 1770 3HG1 VAL 85 3HG1 VAL 85 -17.460 -4.747 3.206 1771 1HG2 VAL 85 1HG2 VAL 85 -17.771 -7.702 1.457 1772 2HG2 VAL 85 2HG2 VAL 85 -16.285 -7.284 0.600 1773 3HG2 VAL 85 3HG2 VAL 85 -16.375 -7.094 2.352 1774 H VAL 86 H VAL 86 -17.278 -3.401 -0.971 1775 HA VAL 86 HA VAL 86 -15.702 -4.887 -2.953 1776 HB VAL 86 HB VAL 86 -17.464 -3.883 -4.241 1777 1HG1 VAL 86 1HG1 VAL 86 -16.876 -1.393 -2.670 1778 2HG1 VAL 86 2HG1 VAL 86 -17.782 -1.371 -4.183 1779 3HG1 VAL 86 3HG1 VAL 86 -18.396 -2.279 -2.802 1780 1HG2 VAL 86 1HG2 VAL 86 -14.740 -3.063 -4.542 1781 2HG2 VAL 86 2HG2 VAL 86 -15.950 -3.376 -5.787 1782 3HG2 VAL 86 3HG2 VAL 86 -15.804 -1.765 -5.084 1783 H VAL 87 H VAL 87 -13.617 -4.128 -3.244 1784 HA VAL 87 HA VAL 87 -12.736 -2.088 -1.305 1785 HB VAL 87 HB VAL 87 -10.451 -3.046 -1.662 1786 1HG1 VAL 87 1HG1 VAL 87 -12.716 -4.368 -0.373 1787 2HG1 VAL 87 2HG1 VAL 87 -11.353 -5.441 -0.692 1788 3HG1 VAL 87 3HG1 VAL 87 -11.118 -3.977 0.263 1789 1HG2 VAL 87 1HG2 VAL 87 -11.957 -5.155 -3.208 1790 2HG2 VAL 87 2HG2 VAL 87 -10.773 -4.023 -3.862 1791 3HG2 VAL 87 3HG2 VAL 87 -10.267 -5.264 -2.715 1792 H PHE 88 H PHE 88 -11.053 -0.537 -2.081 1793 HA PHE 88 HA PHE 88 -11.388 -0.102 -4.969 1794 1HB PHE 88 2HB PHE 88 -12.658 1.473 -3.396 1795 2HB PHE 88 3HB PHE 88 -11.081 2.182 -3.044 1796 HD1 PHE 88 HD1 PHE 88 -12.573 0.902 -6.207 1797 HD2 PHE 88 HD2 PHE 88 -10.980 4.258 -4.117 1798 HE1 PHE 88 HE1 PHE 88 -12.659 2.230 -8.267 1799 HE2 PHE 88 HE2 PHE 88 -11.063 5.580 -6.176 1800 HZ PHE 88 HZ PHE 88 -11.900 4.570 -8.255 1801 H CYS 89 H CYS 89 -9.651 -0.420 -6.012 1802 HA CYS 89 HA CYS 89 -7.660 0.079 -6.940 1803 1HB CYS 89 2HB CYS 89 -7.738 2.260 -5.567 1804 2HB CYS 89 3HB CYS 89 -6.620 1.437 -4.479 1805 H LYS 90 H LYS 90 -6.926 -1.897 -7.158 1806 HA LYS 90 HA LYS 90 -5.673 -3.347 -4.975 1807 1HB LYS 90 2HB LYS 90 -4.984 -4.794 -7.135 1808 2HB LYS 90 3HB LYS 90 -6.536 -4.957 -6.327 1809 1HG LYS 90 2HG LYS 90 -7.223 -4.787 -8.487 1810 2HG LYS 90 3HG LYS 90 -7.251 -3.085 -8.027 1811 1HD LYS 90 2HD LYS 90 -4.675 -3.395 -8.885 1812 2HD LYS 90 3HD LYS 90 -5.549 -4.491 -9.956 1813 1HE LYS 90 2HE LYS 90 -7.188 -2.464 -10.195 1814 2HE LYS 90 3HE LYS 90 -5.795 -1.530 -9.654 1815 1HZ LYS 90 HZ1 LYS 90 -4.932 -3.289 -11.643 1816 2HZ LYS 90 HZ2 LYS 90 -6.333 -2.532 -12.219 1817 3HZ LYS 90 HZ3 LYS 90 -5.012 -1.597 -11.707 1818 H THR 91 H THR 91 -4.777 -0.786 -6.697 1819 HA THR 91 HA THR 91 -2.033 -1.580 -7.254 1820 HB THR 91 HB THR 91 -2.799 1.229 -7.656 1821 HG1 THR 91 HG1 THR 91 -4.355 0.849 -9.183 1822 1HG2 THR 91 1HG2 THR 91 -0.852 -0.351 -8.609 1823 2HG2 THR 91 2HG2 THR 91 -2.043 -0.561 -9.891 1824 3HG2 THR 91 3HG2 THR 91 -1.458 1.053 -9.486 1825 H ALA 92 H ALA 92 -0.254 -0.259 -6.473 1826 HA ALA 92 HA ALA 92 1.019 0.664 -4.847 1827 1HB ALA 92 1HB ALA 92 -1.321 2.360 -5.078 1828 2HB ALA 92 2HB ALA 92 -0.563 2.466 -3.491 1829 3HB ALA 92 3HB ALA 92 0.382 2.791 -4.943 1830 H ALA 93 H ALA 93 -1.884 1.124 -2.928 1831 HA ALA 93 HA ALA 93 -0.742 -0.175 -0.664 1832 1HB ALA 93 1HB ALA 93 -2.954 1.531 -1.178 1833 2HB ALA 93 2HB ALA 93 -3.545 0.106 -0.322 1834 3HB ALA 93 3HB ALA 93 -2.250 1.079 0.375 1835 H ARG 94 H ARG 94 -2.799 -1.126 -3.259 1836 HA ARG 94 HA ARG 94 -3.519 -3.131 -3.998 1837 1HB ARG 94 2HB ARG 94 -1.580 -4.037 -1.899 1838 2HB ARG 94 3HB ARG 94 -2.612 -5.211 -2.706 1839 1HG ARG 94 2HG ARG 94 -1.443 -3.538 -4.684 1840 2HG ARG 94 3HG ARG 94 -0.171 -4.101 -3.599 1841 1HD ARG 94 2HD ARG 94 -0.379 -6.249 -4.257 1842 2HD ARG 94 3HD ARG 94 -2.130 -6.135 -4.423 1843 HE ARG 94 HE ARG 94 -0.826 -4.658 -6.464 1844 1HH1 ARG 94 1HH1 ARG 94 -1.598 -7.921 -5.471 1845 2HH1 ARG 94 2HH1 ARG 94 -1.595 -8.561 -7.084 1846 1HH2 ARG 94 1HH2 ARG 94 -0.826 -5.495 -8.617 1847 2HH2 ARG 94 2HH2 ARG 94 -1.162 -7.177 -8.862 1848 H ALA 95 H ALA 95 -5.652 -2.575 -3.428 1849 HA ALA 95 HA ALA 95 -6.836 -3.267 -0.933 1850 1HB ALA 95 1HB ALA 95 -7.852 -1.633 -2.439 1851 2HB ALA 95 2HB ALA 95 -8.142 -2.902 -3.630 1852 3HB ALA 95 3HB ALA 95 -8.968 -2.949 -2.069 1853 H ALA 96 H ALA 96 -5.718 -5.121 -3.504 1854 HA ALA 96 HA ALA 96 -7.507 -7.259 -3.622 1855 1HB ALA 96 1HB ALA 96 -5.575 -6.848 -5.164 1856 2HB ALA 96 2HB ALA 96 -4.516 -7.481 -3.901 1857 3HB ALA 96 3HB ALA 96 -5.748 -8.518 -4.621 1858 H LEU 97 H LEU 97 -5.073 -6.429 -1.269 1859 HA LEU 97 HA LEU 97 -5.188 -8.960 0.116 1860 1HB LEU 97 2HB LEU 97 -3.785 -6.390 0.468 1861 2HB LEU 97 3HB LEU 97 -4.200 -7.215 1.958 1862 HG LEU 97 HG LEU 97 -1.976 -7.834 1.379 1863 1HD1 LEU 97 1HD1 LEU 97 -3.377 -9.620 2.286 1864 2HD1 LEU 97 2HD1 LEU 97 -3.836 -10.090 0.648 1865 3HD1 LEU 97 3HD1 LEU 97 -2.161 -10.252 1.175 1866 1HD2 LEU 97 1HD2 LEU 97 -3.123 -8.343 -1.343 1867 2HD2 LEU 97 2HD2 LEU 97 -1.747 -7.342 -0.888 1868 3HD2 LEU 97 3HD2 LEU 97 -1.617 -9.099 -0.823 1869 H ALA 98 H ALA 98 -6.870 -5.925 0.159 1870 HA ALA 98 HA ALA 98 -8.073 -6.211 2.714 1871 1HB ALA 98 1HB ALA 98 -7.755 -4.083 1.287 1872 2HB ALA 98 2HB ALA 98 -9.257 -4.580 0.505 1873 3HB ALA 98 3HB ALA 98 -9.230 -4.258 2.238 1874 H GLY 99 H GLY 99 -8.887 -7.252 -0.516 1875 1HA GLY 99 1HA GLY 99 -11.554 -8.056 0.389 1876 2HA GLY 99 2HA GLY 99 -11.041 -7.897 -1.280 1877 H LYS 100 H LYS 100 -8.764 -9.470 -1.323 1878 HA LYS 100 HA LYS 100 -9.940 -11.963 -1.727 1879 1HB LYS 100 2HB LYS 100 -8.015 -12.471 -2.776 1880 2HB LYS 100 3HB LYS 100 -7.612 -10.782 -2.502 1881 1HG LYS 100 2HG LYS 100 -5.909 -11.319 -1.178 1882 2HG LYS 100 3HG LYS 100 -6.897 -12.433 -0.232 1883 1HD LYS 100 2HD LYS 100 -6.375 -13.544 -2.828 1884 2HD LYS 100 3HD LYS 100 -4.858 -13.068 -2.060 1885 1HE LYS 100 2HE LYS 100 -5.277 -15.315 -1.414 1886 2HE LYS 100 3HE LYS 100 -5.632 -14.309 -0.011 1887 1HZ LYS 100 HZ1 LYS 100 -7.784 -15.084 -1.880 1888 2HZ LYS 100 HZ2 LYS 100 -7.285 -16.152 -0.658 1889 3HZ LYS 100 HZ3 LYS 100 -7.898 -14.624 -0.257 1890 H THR 101 H THR 101 -8.222 -10.704 1.050 1891 HA THR 101 HA THR 101 -7.992 -13.220 2.389 1892 HB THR 101 HB THR 101 -8.006 -10.605 3.852 1893 HG1 THR 101 HG1 THR 101 -6.489 -9.904 2.555 1894 1HG2 THR 101 1HG2 THR 101 -6.347 -13.126 4.041 1895 2HG2 THR 101 2HG2 THR 101 -6.124 -11.695 5.045 1896 3HG2 THR 101 3HG2 THR 101 -7.623 -12.618 5.148 1897 H LEU 102 H LEU 102 -10.318 -10.599 2.339 1898 HA LEU 102 HA LEU 102 -11.786 -11.362 4.604 1899 1HB LEU 102 2HB LEU 102 -12.064 -9.452 2.405 1900 2HB LEU 102 3HB LEU 102 -13.595 -10.013 3.055 1901 HG LEU 102 HG LEU 102 -11.405 -8.519 4.475 1902 1HD1 LEU 102 1HD1 LEU 102 -13.389 -7.475 3.137 1903 2HD1 LEU 102 2HD1 LEU 102 -14.324 -7.911 4.568 1904 3HD1 LEU 102 3HD1 LEU 102 -12.941 -6.824 4.713 1905 1HD2 LEU 102 1HD2 LEU 102 -13.061 -10.572 5.570 1906 2HD2 LEU 102 2HD2 LEU 102 -11.867 -9.555 6.380 1907 3HD2 LEU 102 3HD2 LEU 102 -13.541 -9.015 6.245 1908 H ARG 103 H ARG 103 -12.178 -12.218 1.180 1909 HA ARG 103 HA ARG 103 -14.701 -13.466 1.513 1910 1HB ARG 103 2HB ARG 103 -14.152 -14.637 -0.657 1911 2HB ARG 103 3HB ARG 103 -14.107 -12.881 -0.706 1912 1HG ARG 103 2HG ARG 103 -11.970 -12.856 -1.304 1913 2HG ARG 103 3HG ARG 103 -11.523 -14.036 -0.069 1914 1HD ARG 103 2HD ARG 103 -12.994 -14.928 -2.512 1915 2HD ARG 103 3HD ARG 103 -11.263 -14.614 -2.601 1916 HE ARG 103 HE ARG 103 -11.013 -16.289 -0.802 1917 1HH1 ARG 103 1HH1 ARG 103 -13.860 -16.367 -2.833 1918 2HH1 ARG 103 2HH1 ARG 103 -14.187 -18.040 -2.527 1919 1HH2 ARG 103 1HH2 ARG 103 -11.437 -18.486 -0.390 1920 2HH2 ARG 103 2HH2 ARG 103 -12.813 -19.243 -1.143 1921 H GLU 104 H GLU 104 -11.478 -14.486 2.153 1922 HA GLU 104 HA GLU 104 -12.056 -17.296 2.379 1923 1HB GLU 104 2HB GLU 104 -9.694 -15.883 3.593 1924 2HB GLU 104 3HB GLU 104 -9.818 -17.565 3.096 1925 1HG GLU 104 2HG GLU 104 -10.233 -15.554 0.996 1926 2HG GLU 104 3HG GLU 104 -8.602 -15.667 1.653 1927 H TYR 105 H TYR 105 -12.885 -14.677 4.204 1928 HA TYR 105 HA TYR 105 -12.756 -16.190 6.721 1929 1HB TYR 105 HB2 TYR 105 -13.052 -13.218 6.265 1930 2HB TYR 105 HB3 TYR 105 -13.174 -13.992 7.845 1931 HD1 TYR 105 HD1 TYR 105 -10.960 -16.100 7.084 1932 HD2 TYR 105 HD2 TYR 105 -11.144 -11.850 6.977 1933 HE1 TYR 105 HE1 TYR 105 -8.516 -15.999 7.309 1934 HE2 TYR 105 HE2 TYR 105 -8.695 -11.742 7.198 1935 HH TYR 105 HH TYR 105 -6.845 -13.827 8.307 1936 H GLY 106 H GLY 106 -14.838 -15.389 4.255 1937 1HA GLY 106 1HA GLY 106 -16.900 -16.706 4.467 1938 2HA GLY 106 2HA GLY 106 -17.122 -15.961 6.040 1939 H PHE 107 H PHE 107 -15.980 -13.646 3.920 1940 HA PHE 107 HA PHE 107 -18.466 -12.280 3.941 1941 1HB PHE 107 2HB PHE 107 -15.753 -11.736 2.856 1942 2HB PHE 107 3HB PHE 107 -17.098 -10.820 2.176 1943 HD1 PHE 107 HD1 PHE 107 -15.730 -11.847 5.491 1944 HD2 PHE 107 HD2 PHE 107 -17.700 -8.845 3.204 1945 HE1 PHE 107 HE1 PHE 107 -15.690 -10.339 7.438 1946 HE2 PHE 107 HE2 PHE 107 -17.659 -7.332 5.143 1947 HZ PHE 107 HZ PHE 107 -16.655 -8.078 7.264 1948 H LYS 108 H LYS 108 -20.049 -12.223 2.548 1949 HA LYS 108 HA LYS 108 -20.465 -14.274 0.785 1950 1HB LYS 108 2HB LYS 108 -22.187 -12.803 1.878 1951 2HB LYS 108 3HB LYS 108 -21.848 -11.594 0.648 1952 1HG LYS 108 2HG LYS 108 -22.400 -13.506 -1.015 1953 2HG LYS 108 3HG LYS 108 -23.194 -14.243 0.378 1954 1HD LYS 108 2HD LYS 108 -24.735 -12.495 0.572 1955 2HD LYS 108 3HD LYS 108 -23.749 -11.399 -0.400 1956 1HE LYS 108 2HE LYS 108 -24.425 -13.745 -1.914 1957 2HE LYS 108 3HE LYS 108 -25.883 -13.007 -1.253 1958 1HZ LYS 108 HZ1 LYS 108 -23.855 -11.356 -2.626 1959 2HZ LYS 108 HZ2 LYS 108 -25.015 -12.212 -3.516 1960 3HZ LYS 108 HZ3 LYS 108 -25.506 -11.045 -2.390 1961 H THR 109 H THR 109 -20.640 -10.978 -0.497 1962 HA THR 109 HA THR 109 -19.195 -11.941 -2.869 1963 HB THR 109 HB THR 109 -20.939 -9.565 -3.120 1964 HG1 THR 109 HG1 THR 109 -22.119 -12.155 -3.077 1965 1HG2 THR 109 1HG2 THR 109 -19.649 -10.721 -4.972 1966 2HG2 THR 109 2HG2 THR 109 -20.789 -12.056 -4.812 1967 3HG2 THR 109 3HG2 THR 109 -21.362 -10.455 -5.281 1968 H ILE 110 H ILE 110 -17.248 -11.114 -3.042 1969 HA ILE 110 HA ILE 110 -16.811 -8.375 -2.082 1970 HB ILE 110 HB ILE 110 -15.709 -10.325 -0.821 1971 1HG1 ILE 110 2HG1 ILE 110 -13.550 -8.474 -1.570 1972 2HG1 ILE 110 3HG1 ILE 110 -15.066 -7.712 -1.094 1973 1HG2 ILE 110 1HG2 ILE 110 -14.162 -10.380 -3.371 1974 2HG2 ILE 110 2HG2 ILE 110 -13.352 -10.750 -1.847 1975 3HG2 ILE 110 3HG2 ILE 110 -14.735 -11.714 -2.372 1976 1HD1 ILE 110 1HD1 ILE 110 -13.910 -9.874 0.601 1977 2HD1 ILE 110 2HD1 ILE 110 -13.253 -8.237 0.686 1978 3HD1 ILE 110 3HD1 ILE 110 -14.955 -8.524 1.051 1979 H TYR 111 H TYR 111 -16.130 -6.923 -3.504 1980 HA TYR 111 HA TYR 111 -15.314 -7.890 -6.163 1981 1HB TYR 111 HB2 TYR 111 -16.422 -5.145 -5.600 1982 2HB TYR 111 HB3 TYR 111 -16.379 -6.016 -7.127 1983 HD1 TYR 111 HD1 TYR 111 -18.123 -5.699 -3.887 1984 HD2 TYR 111 HD2 TYR 111 -18.112 -7.565 -7.716 1985 HE1 TYR 111 HE1 TYR 111 -20.444 -6.439 -3.530 1986 HE2 TYR 111 HE2 TYR 111 -20.428 -8.308 -7.367 1987 HH TYR 111 HH TYR 111 -22.399 -7.603 -6.024 1988 H ASN 112 H ASN 112 -13.565 -6.940 -7.214 1989 HA ASN 112 HA ASN 112 -11.953 -5.095 -5.583 1990 1HB ASN 112 2HB ASN 112 -11.066 -7.518 -6.078 1991 2HB ASN 112 3HB ASN 112 -10.730 -6.862 -7.679 1992 1HD2 ASN 112 1HD2 ASN 112 -8.827 -7.825 -5.782 1993 2HD2 ASN 112 2HD2 ASN 112 -7.794 -6.493 -5.383 1994 H SER 113 H SER 113 -11.077 -3.363 -6.616 1995 HA SER 113 HA SER 113 -12.494 -2.524 -8.958 1996 1HB SER 113 2HB SER 113 -10.484 -0.663 -8.260 1997 2HB SER 113 3HB SER 113 -12.210 -0.576 -7.892 1998 HG SER 113 HG SER 113 -11.843 -1.578 -5.955 1999 H GLU 114 H GLU 114 -11.796 -2.333 -10.924 2000 HA GLU 114 HA GLU 114 -8.982 -2.906 -11.549 2001 1HB GLU 114 2HB GLU 114 -11.348 -3.477 -12.991 2002 2HB GLU 114 3HB GLU 114 -10.508 -2.217 -13.884 2003 1HG GLU 114 2HG GLU 114 -9.794 -5.035 -13.459 2004 2HG GLU 114 3HG GLU 114 -9.471 -3.973 -14.827 2005 H GLY 115 H GLY 115 -7.805 -1.318 -12.766 2006 1HA GLY 115 1HA GLY 115 -7.255 0.878 -13.352 2007 2HA GLY 115 2HA GLY 115 -8.846 1.400 -12.808 2008 H GLY 116 H GLY 116 -8.996 2.361 -10.878 2009 1HA GLY 116 1HA GLY 116 -7.905 1.718 -8.511 2010 2HA GLY 116 2HA GLY 116 -6.615 2.651 -9.259 2011 H MET 117 H MET 117 -6.849 4.202 -7.566 2012 HA MET 117 HA MET 117 -9.231 5.597 -7.007 2013 1HB MET 117 2HB MET 117 -7.291 5.665 -5.524 2014 2HB MET 117 3HB MET 117 -6.356 6.498 -6.756 2015 1HG MET 117 2HG MET 117 -8.306 8.254 -6.575 2016 2HG MET 117 3HG MET 117 -8.506 7.525 -4.982 2017 1HE MET 117 1HE MET 117 -7.955 9.362 -3.443 2018 2HE MET 117 2HE MET 117 -6.963 7.988 -2.951 2019 3HE MET 117 3HE MET 117 -6.275 9.613 -2.967 2020 H ASP 118 H ASP 118 -6.740 6.029 -9.424 2021 HA ASP 118 HA ASP 118 -7.414 8.567 -10.377 2022 1HB ASP 118 2HB ASP 118 -5.440 7.857 -11.300 2023 2HB ASP 118 3HB ASP 118 -5.985 6.193 -11.463 2024 H LYS 119 H LYS 119 -8.765 5.368 -11.105 2025 HA LYS 119 HA LYS 119 -10.375 6.172 -13.262 2026 1HB LYS 119 2HB LYS 119 -9.993 3.797 -11.620 2027 2HB LYS 119 3HB LYS 119 -11.667 4.017 -12.112 2028 1HG LYS 119 2HG LYS 119 -10.626 2.654 -13.742 2029 2HG LYS 119 3HG LYS 119 -10.851 4.248 -14.467 2030 1HD LYS 119 2HD LYS 119 -8.411 4.623 -13.506 2031 2HD LYS 119 3HD LYS 119 -8.353 2.863 -13.637 2032 1HE LYS 119 2HE LYS 119 -8.030 2.999 -15.826 2033 2HE LYS 119 3HE LYS 119 -9.507 3.944 -16.015 2034 1HZ LYS 119 HZ1 LYS 119 -7.404 5.531 -14.943 2035 2HZ LYS 119 HZ2 LYS 119 -6.933 4.812 -16.409 2036 3HZ LYS 119 HZ3 LYS 119 -8.331 5.772 -16.348 2037 H TRP 120 H TRP 120 -10.894 6.221 -9.774 2038 HA TRP 120 HA TRP 120 -13.687 6.595 -9.823 2039 1HB TRP 120 HB2 TRP 120 -12.133 6.167 -7.795 2040 2HB TRP 120 HB3 TRP 120 -11.911 7.913 -7.783 2041 HD1 TRP 120 HD1 TRP 120 -13.776 9.348 -6.732 2042 HE1 TRP 120 HE1 TRP 120 -16.036 8.860 -5.597 2043 HE3 TRP 120 HE3 TRP 120 -14.176 4.369 -7.828 2044 HZ2 TRP 120 HZ2 TRP 120 -17.735 6.652 -5.191 2045 HZ3 TRP 120 HZ3 TRP 120 -16.145 3.140 -7.014 2046 HH2 TRP 120 HH2 TRP 120 -17.885 4.260 -5.720 2047 H LEU 121 H LEU 121 -11.039 9.016 -9.657 2048 HA LEU 121 HA LEU 121 -12.706 11.258 -9.976 2049 1HB LEU 121 2HB LEU 121 -9.786 10.702 -10.295 2050 2HB LEU 121 3HB LEU 121 -10.430 12.223 -10.876 2051 HG LEU 121 HG LEU 121 -10.420 11.217 -8.024 2052 1HD1 LEU 121 1HD1 LEU 121 -8.851 13.144 -9.604 2053 2HD1 LEU 121 2HD1 LEU 121 -9.337 13.675 -7.995 2054 3HD1 LEU 121 3HD1 LEU 121 -8.399 12.194 -8.190 2055 1HD2 LEU 121 1HD2 LEU 121 -12.349 12.881 -9.264 2056 2HD2 LEU 121 2HD2 LEU 121 -12.157 12.519 -7.549 2057 3HD2 LEU 121 3HD2 LEU 121 -11.333 13.908 -8.254 2058 H GLU 122 H GLU 122 -10.981 9.200 -12.284 2059 HA GLU 122 HA GLU 122 -11.354 10.753 -14.587 2060 1HB GLU 122 2HB GLU 122 -9.902 8.627 -14.197 2061 2HB GLU 122 3HB GLU 122 -11.344 7.756 -14.701 2062 1HG GLU 122 2HG GLU 122 -11.232 9.459 -16.717 2063 2HG GLU 122 3HG GLU 122 -9.526 9.494 -16.272 2064 H GLU 123 H GLU 123 -13.404 8.257 -13.140 2065 HA GLU 123 HA GLU 123 -15.303 8.261 -15.272 2066 1HB GLU 123 2HB GLU 123 -15.368 7.192 -12.452 2067 2HB GLU 123 3HB GLU 123 -16.729 7.033 -13.554 2068 1HG GLU 123 2HG GLU 123 -13.964 5.919 -13.952 2069 2HG GLU 123 3HG GLU 123 -15.417 5.011 -13.539 2070 H GLY 124 H GLY 124 -14.664 10.407 -12.758 2071 1HA GLY 124 1HA GLY 124 -15.718 12.376 -12.179 2072 2HA GLY 124 2HA GLY 124 -16.947 12.024 -13.388 2073 H LEU 125 H LEU 125 -16.036 9.858 -10.810 2074 HA LEU 125 HA LEU 125 -18.772 9.684 -9.959 2075 1HB LEU 125 2HB LEU 125 -16.257 8.372 -8.933 2076 2HB LEU 125 3HB LEU 125 -17.874 7.998 -8.366 2077 HG LEU 125 HG LEU 125 -16.829 7.569 -11.165 2078 1HD1 LEU 125 1HD1 LEU 125 -16.700 5.992 -8.805 2079 2HD1 LEU 125 2HD1 LEU 125 -17.797 5.213 -9.949 2080 3HD1 LEU 125 3HD1 LEU 125 -16.146 5.601 -10.434 2081 1HD2 LEU 125 1HD2 LEU 125 -19.557 7.340 -9.967 2082 2HD2 LEU 125 2HD2 LEU 125 -19.067 8.013 -11.521 2083 3HD2 LEU 125 3HD2 LEU 125 -19.071 6.267 -11.279 2084 HA PRO 126 HA PRO 126 -18.993 12.441 -6.553 2085 1HB PRO 126 2HB PRO 126 -19.763 10.755 -4.485 2086 2HB PRO 126 3HB PRO 126 -20.859 11.485 -5.663 2087 1HG PRO 126 2HG PRO 126 -19.622 8.758 -5.658 2088 2HG PRO 126 3HG PRO 126 -21.288 9.234 -6.058 2089 1HD PRO 126 2HD PRO 126 -19.561 8.694 -7.998 2090 2HD PRO 126 3HD PRO 126 -20.664 10.082 -8.154 2091 H SER 127 H SER 127 -17.217 13.279 -5.664 2092 HA SER 127 HA SER 127 -15.558 11.548 -3.977 2093 1HB SER 127 2HB SER 127 -13.837 13.450 -5.115 2094 2HB SER 127 3HB SER 127 -13.904 11.727 -5.489 2095 HG SER 127 HG SER 127 -15.516 12.256 -7.088 2096 H LEU 128 H LEU 128 -14.428 12.637 -2.309 2097 HA LEU 128 HA LEU 128 -15.631 15.210 -1.557 2098 1HB LEU 128 2HB LEU 128 -14.155 13.170 0.111 2099 2HB LEU 128 3HB LEU 128 -14.784 14.691 0.712 2100 HG LEU 128 HG LEU 128 -16.774 12.976 -0.617 2101 1HD1 LEU 128 1HD1 LEU 128 -15.015 11.849 1.350 2102 2HD1 LEU 128 2HD1 LEU 128 -16.653 11.965 1.993 2103 3HD1 LEU 128 3HD1 LEU 128 -16.358 11.099 0.484 2104 1HD2 LEU 128 1HD2 LEU 128 -16.665 14.517 1.967 2105 2HD2 LEU 128 2HD2 LEU 128 -17.422 15.028 0.459 2106 3HD2 LEU 128 3HD2 LEU 128 -18.086 13.666 1.362 2107 H ASP 129 H ASP 129 -14.404 16.732 -2.468 2108 HA ASP 129 HA ASP 129 -11.522 16.713 -1.909 2109 1HB ASP 129 2HB ASP 129 -11.251 16.213 -4.102 2110 2HB ASP 129 3HB ASP 129 -12.901 16.661 -4.506 2111 H ARG 130 H ARG 130 -10.675 18.648 -1.317 2112 HA ARG 130 HA ARG 130 -12.525 20.873 -1.007 2113 1HB ARG 130 2HB ARG 130 -9.938 20.073 0.207 2114 2HB ARG 130 3HB ARG 130 -10.207 21.801 0.026 2115 1HG ARG 130 2HG ARG 130 -12.411 21.452 1.202 2116 2HG ARG 130 3HG ARG 130 -11.837 19.828 1.589 2117 1HD ARG 130 2HD ARG 130 -11.364 21.286 3.439 2118 2HD ARG 130 3HD ARG 130 -9.849 20.835 2.665 2119 HE ARG 130 HE ARG 130 -10.857 23.287 1.634 2120 1HH1 ARG 130 1HH1 ARG 130 -9.247 21.910 4.418 2121 2HH1 ARG 130 2HH1 ARG 130 -8.389 23.368 4.814 2122 1HH2 ARG 130 1HH2 ARG 130 -9.743 25.227 2.148 2123 2HH2 ARG 130 2HH2 ARG 130 -8.684 25.267 3.527 2124 H SER 131 H SER 131 -12.683 21.191 -3.266 2125 HA SER 131 HA SER 131 -10.824 21.389 -5.155 2126 1HB SER 131 2HB SER 131 -13.033 23.422 -5.078 2127 2HB SER 131 3HB SER 131 -12.375 22.554 -6.468 2128 HG SER 131 HG SER 131 -13.178 20.596 -5.235 2129 H HIS 132 H HIS 132 -9.098 22.507 -5.582 2130 HA HIS 132 HA HIS 132 -8.422 24.858 -4.033 2131 1HB HIS 132 2HB HIS 132 -6.917 23.343 -6.182 2132 2HB HIS 132 3HB HIS 132 -6.266 24.732 -5.319 2133 HD1 HIS 132 HD1 HIS 132 -5.075 21.786 -5.262 2134 HD2 HIS 132 HD2 HIS 132 -7.451 23.543 -2.327 2135 HE1 HIS 132 HE1 HIS 132 -4.561 20.546 -3.134 2136 HE2 HIS 132 HE2 HIS 132 -5.851 21.765 -1.343 2137 H HIS 133 H HIS 133 -10.342 25.961 -4.998 2138 HA HIS 133 HA HIS 133 -10.489 26.655 -7.710 2139 1HB HIS 133 2HB HIS 133 -12.302 26.795 -5.908 2140 2HB HIS 133 3HB HIS 133 -11.580 28.333 -5.452 2141 HD1 HIS 133 HD1 HIS 133 -11.951 30.342 -7.036 2142 HD2 HIS 133 HD2 HIS 133 -13.738 26.809 -8.324 2143 HE1 HIS 133 HE1 HIS 133 -13.514 31.006 -8.886 2144 HE2 HIS 133 HE2 HIS 133 -14.678 28.880 -9.566 2145 H HIS 134 H HIS 134 -8.925 28.272 -4.993 2146 HA HIS 134 HA HIS 134 -8.294 30.563 -6.671 2147 1HB HIS 134 2HB HIS 134 -9.060 30.563 -4.158 2148 2HB HIS 134 3HB HIS 134 -7.345 30.315 -3.848 2149 HD1 HIS 134 HD1 HIS 134 -6.118 32.428 -3.480 2150 HD2 HIS 134 HD2 HIS 134 -9.365 32.943 -6.027 2151 HE1 HIS 134 HE1 HIS 134 -6.146 34.876 -4.062 2152 HE2 HIS 134 HE2 HIS 134 -8.000 35.119 -5.752 2153 H HIS 135 H HIS 135 -6.889 27.656 -6.333 2154 HA HIS 135 HA HIS 135 -4.152 28.498 -5.995 2155 1HB HIS 135 2HB HIS 135 -5.240 26.155 -5.474 2156 2HB HIS 135 3HB HIS 135 -4.853 25.835 -7.161 2157 HD1 HIS 135 HD1 HIS 135 -2.464 28.008 -5.353 2158 HD2 HIS 135 HD2 HIS 135 -2.920 23.956 -6.197 2159 HE1 HIS 135 HE1 HIS 135 -0.242 26.952 -4.844 2160 HE2 HIS 135 HE2 HIS 135 -0.502 24.523 -5.444 2161 H HIS 136 H HIS 136 -4.590 30.149 -7.777 2162 HA HIS 136 HA HIS 136 -4.462 29.149 -10.476 2163 1HB HIS 136 2HB HIS 136 -4.789 31.307 -11.162 2164 2HB HIS 136 3HB HIS 136 -5.406 31.455 -9.526 2165 HD1 HIS 136 HD1 HIS 136 -3.776 32.650 -7.778 2166 HD2 HIS 136 HD2 HIS 136 -2.662 32.931 -11.772 2167 HE1 HIS 136 HE1 HIS 136 -2.056 34.476 -7.870 2168 HE2 HIS 136 HE2 HIS 136 -1.585 34.787 -10.324 2169 H HIS 137 H HIS 137 -2.244 30.196 -8.018 2170 HA HIS 137 HA HIS 137 -0.079 28.844 -9.129 2171 1HB HIS 137 2HB HIS 137 -0.357 31.257 -10.423 2172 2HB HIS 137 3HB HIS 137 0.765 31.662 -9.127 2173 HD1 HIS 137 HD1 HIS 137 2.885 31.851 -10.499 2174 HD2 HIS 137 HD2 HIS 137 0.878 28.251 -11.069 2175 HE1 HIS 137 HE1 HIS 137 4.428 30.419 -11.878 2176 HE2 HIS 137 HE2 HIS 137 3.258 28.196 -12.086 Start of MODEL 9 1 1H ALA 1 H1 ALA 1 -24.889 -12.034 10.830 2 2H ALA 1 H2 ALA 1 -24.721 -10.645 11.790 3 3H ALA 1 H3 ALA 1 -23.735 -10.858 10.425 4 HA ALA 1 HA ALA 1 -23.716 -12.512 12.875 5 1HB ALA 1 1HB ALA 1 -22.524 -12.866 10.198 6 2HB ALA 1 2HB ALA 1 -21.476 -13.206 11.574 7 3HB ALA 1 3HB ALA 1 -23.005 -14.068 11.397 8 H ASP 2 H ASP 2 -22.691 -11.536 14.473 9 HA ASP 2 HA ASP 2 -21.154 -9.135 14.007 10 1HB ASP 2 2HB ASP 2 -22.070 -10.618 16.440 11 2HB ASP 2 3HB ASP 2 -20.781 -9.427 16.574 12 H MET 3 H MET 3 -19.688 -10.493 12.614 13 HA MET 3 HA MET 3 -17.807 -12.146 14.094 14 1HB MET 3 2HB MET 3 -18.775 -11.981 11.372 15 2HB MET 3 3HB MET 3 -17.017 -12.037 11.414 16 1HG MET 3 2HG MET 3 -17.820 -14.262 11.220 17 2HG MET 3 3HG MET 3 -17.180 -14.057 12.850 18 1HE MET 3 1HE MET 3 -18.435 -16.403 13.148 19 2HE MET 3 2HE MET 3 -20.186 -16.577 13.258 20 3HE MET 3 3HE MET 3 -19.415 -16.387 11.683 21 H GLY 4 H GLY 4 -17.880 -9.069 14.133 22 1HA GLY 4 1HA GLY 4 -15.554 -8.115 12.841 23 2HA GLY 4 2HA GLY 4 -16.354 -7.356 14.209 24 H GLU 5 H GLU 5 -16.123 -9.076 16.178 25 HA GLU 5 HA GLU 5 -13.440 -8.889 17.079 26 1HB GLU 5 2HB GLU 5 -14.195 -10.443 18.893 27 2HB GLU 5 3HB GLU 5 -15.207 -9.020 18.698 28 1HG GLU 5 2HG GLU 5 -16.776 -10.417 17.349 29 2HG GLU 5 3HG GLU 5 -15.804 -11.822 17.782 30 H LYS 6 H LYS 6 -15.223 -11.322 15.407 31 HA LYS 6 HA LYS 6 -13.540 -13.508 15.886 32 1HB LYS 6 2HB LYS 6 -15.406 -13.047 13.561 33 2HB LYS 6 3HB LYS 6 -14.695 -14.594 14.002 34 1HG LYS 6 2HG LYS 6 -16.227 -13.150 16.091 35 2HG LYS 6 3HG LYS 6 -17.134 -13.879 14.765 36 1HD LYS 6 2HD LYS 6 -16.266 -16.042 15.259 37 2HD LYS 6 3HD LYS 6 -15.092 -15.377 16.397 38 1HE LYS 6 2HE LYS 6 -16.583 -15.304 18.068 39 2HE LYS 6 3HE LYS 6 -17.853 -14.663 17.025 40 1HZ LYS 6 HZ1 LYS 6 -17.283 -17.388 16.413 41 2HZ LYS 6 HZ2 LYS 6 -17.698 -17.206 18.047 42 3HZ LYS 6 HZ3 LYS 6 -18.758 -16.667 16.838 43 H PHE 7 H PHE 7 -13.750 -11.541 12.862 44 HA PHE 7 HA PHE 7 -11.354 -12.859 11.944 45 1HB PHE 7 2HB PHE 7 -11.626 -11.324 9.921 46 2HB PHE 7 3HB PHE 7 -12.857 -12.540 10.200 47 HD1 PHE 7 HD1 PHE 7 -12.357 -9.075 11.526 48 HD2 PHE 7 HD2 PHE 7 -14.866 -11.800 9.434 49 HE1 PHE 7 HE1 PHE 7 -14.088 -7.340 11.347 50 HE2 PHE 7 HE2 PHE 7 -16.601 -10.065 9.245 51 HZ PHE 7 HZ PHE 7 -16.213 -7.832 10.206 52 H ASP 8 H ASP 8 -12.038 -9.895 13.537 53 HA ASP 8 HA ASP 8 -9.997 -8.227 12.693 54 1HB ASP 8 2HB ASP 8 -11.788 -7.582 14.279 55 2HB ASP 8 3HB ASP 8 -11.003 -8.536 15.530 56 H ALA 9 H ALA 9 -9.871 -10.787 15.116 57 HA ALA 9 HA ALA 9 -7.138 -10.338 15.813 58 1HB ALA 9 1HB ALA 9 -9.115 -11.639 17.051 59 2HB ALA 9 2HB ALA 9 -8.333 -13.011 16.263 60 3HB ALA 9 3HB ALA 9 -7.412 -11.978 17.356 61 H THR 10 H THR 10 -8.830 -12.458 13.565 62 HA THR 10 HA THR 10 -6.630 -14.092 12.920 63 HB THR 10 HB THR 10 -8.543 -13.761 10.745 64 HG1 THR 10 HG1 THR 10 -10.015 -14.934 12.575 65 1HG2 THR 10 1HG2 THR 10 -6.980 -15.767 11.878 66 2HG2 THR 10 2HG2 THR 10 -8.639 -16.236 12.252 67 3HG2 THR 10 3HG2 THR 10 -8.157 -15.956 10.579 68 H PHE 11 H PHE 11 -7.922 -11.150 11.379 69 HA PHE 11 HA PHE 11 -6.258 -11.139 9.135 70 1HB PHE 11 2HB PHE 11 -8.246 -9.530 9.962 71 2HB PHE 11 3HB PHE 11 -6.875 -8.513 10.393 72 HD1 PHE 11 HD1 PHE 11 -4.997 -8.559 8.405 73 HD2 PHE 11 HD2 PHE 11 -9.194 -9.045 7.937 74 HE1 PHE 11 HE1 PHE 11 -4.818 -7.807 6.068 75 HE2 PHE 11 HE2 PHE 11 -9.027 -8.293 5.600 76 HZ PHE 11 HZ PHE 11 -6.832 -7.676 4.657 77 H LYS 12 H LYS 12 -5.762 -9.885 12.366 78 HA LYS 12 HA LYS 12 -3.209 -8.722 11.970 79 1HB LYS 12 2HB LYS 12 -4.939 -8.535 13.934 80 2HB LYS 12 3HB LYS 12 -4.070 -9.920 14.570 81 1HG LYS 12 2HG LYS 12 -2.940 -8.227 15.589 82 2HG LYS 12 3HG LYS 12 -1.974 -8.400 14.122 83 1HD LYS 12 2HD LYS 12 -3.352 -6.605 13.084 84 2HD LYS 12 3HD LYS 12 -4.146 -6.374 14.644 85 1HE LYS 12 2HE LYS 12 -2.452 -4.739 14.536 86 2HE LYS 12 3HE LYS 12 -1.836 -5.998 15.607 87 1HZ LYS 12 HZ1 LYS 12 -1.202 -6.139 12.742 88 2HZ LYS 12 HZ2 LYS 12 -0.363 -5.023 13.709 89 3HZ LYS 12 HZ3 LYS 12 -0.303 -6.676 14.080 90 H ALA 13 H ALA 13 -4.312 -11.961 12.442 91 HA ALA 13 HA ALA 13 -1.774 -13.064 13.239 92 1HB ALA 13 1HB ALA 13 -4.295 -14.401 12.259 93 2HB ALA 13 2HB ALA 13 -2.875 -15.246 12.879 94 3HB ALA 13 3HB ALA 13 -3.798 -14.179 13.939 95 H GLN 14 H GLN 14 -3.696 -12.991 10.259 96 HA GLN 14 HA GLN 14 -1.851 -14.552 8.769 97 1HB GLN 14 2HB GLN 14 -4.201 -12.833 8.038 98 2HB GLN 14 3HB GLN 14 -3.167 -13.493 6.777 99 1HG GLN 14 2HG GLN 14 -3.565 -15.758 7.819 100 2HG GLN 14 3HG GLN 14 -4.815 -14.989 8.791 101 1HE2 GLN 14 1HE2 GLN 14 -3.838 -14.926 5.366 102 2HE2 GLN 14 2HE2 GLN 14 -5.433 -15.191 4.736 103 H VAL 15 H VAL 15 -2.534 -11.054 8.720 104 HA VAL 15 HA VAL 15 -0.598 -10.353 6.851 105 HB VAL 15 HB VAL 15 -2.150 -8.892 8.892 106 1HG1 VAL 15 1HG1 VAL 15 0.146 -8.078 9.369 107 2HG1 VAL 15 2HG1 VAL 15 0.281 -7.575 7.682 108 3HG1 VAL 15 3HG1 VAL 15 -0.922 -6.826 8.734 109 1HG2 VAL 15 1HG2 VAL 15 -1.474 -8.442 5.988 110 2HG2 VAL 15 2HG2 VAL 15 -2.979 -9.073 6.653 111 3HG2 VAL 15 3HG2 VAL 15 -2.527 -7.393 6.934 112 H LYS 16 H LYS 16 -0.276 -10.913 10.297 113 HA LYS 16 HA LYS 16 2.319 -9.875 10.660 114 1HB LYS 16 2HB LYS 16 0.552 -10.746 12.385 115 2HB LYS 16 3HB LYS 16 1.371 -12.285 12.158 116 1HG LYS 16 2HG LYS 16 2.785 -11.628 13.734 117 2HG LYS 16 3HG LYS 16 3.434 -10.493 12.547 118 1HD LYS 16 2HD LYS 16 2.052 -8.737 13.341 119 2HD LYS 16 3HD LYS 16 1.094 -9.848 14.324 120 1HE LYS 16 2HE LYS 16 4.036 -9.503 14.779 121 2HE LYS 16 3HE LYS 16 2.865 -8.394 15.490 122 1HZ LYS 16 HZ1 LYS 16 1.777 -10.330 16.524 123 2HZ LYS 16 HZ2 LYS 16 3.001 -11.336 15.915 124 3HZ LYS 16 HZ3 LYS 16 3.379 -10.127 17.046 125 H ALA 17 H ALA 17 1.156 -12.983 9.511 126 HA ALA 17 HA ALA 17 3.606 -14.373 9.611 127 1HB ALA 17 1HB ALA 17 1.403 -15.462 9.373 128 2HB ALA 17 2HB ALA 17 1.304 -14.844 7.724 129 3HB ALA 17 3HB ALA 17 2.566 -15.997 8.158 130 H ALA 18 H ALA 18 2.338 -12.055 7.370 131 HA ALA 18 HA ALA 18 4.078 -12.642 5.184 132 1HB ALA 18 1HB ALA 18 1.892 -11.141 5.362 133 2HB ALA 18 2HB ALA 18 3.095 -9.873 5.587 134 3HB ALA 18 3HB ALA 18 3.122 -10.865 4.131 135 H LYS 19 H LYS 19 4.329 -10.755 8.116 136 HA LYS 19 HA LYS 19 6.828 -9.492 7.433 137 1HB LYS 19 2HB LYS 19 5.274 -9.759 10.008 138 2HB LYS 19 3HB LYS 19 6.828 -8.944 9.907 139 1HG LYS 19 2HG LYS 19 5.915 -7.090 9.084 140 2HG LYS 19 3HG LYS 19 4.946 -7.987 7.915 141 1HD LYS 19 2HD LYS 19 3.475 -6.800 9.413 142 2HD LYS 19 3HD LYS 19 3.343 -8.530 9.727 143 1HE LYS 19 2HE LYS 19 3.466 -7.636 11.861 144 2HE LYS 19 3HE LYS 19 5.137 -8.095 11.540 145 1HZ LYS 19 HZ1 LYS 19 4.332 -5.386 10.808 146 2HZ LYS 19 HZ2 LYS 19 4.475 -5.724 12.464 147 3HZ LYS 19 HZ3 LYS 19 5.809 -5.948 11.437 148 H ALA 20 H ALA 20 5.762 -12.475 8.613 149 HA ALA 20 HA ALA 20 8.144 -13.183 10.075 150 1HB ALA 20 1HB ALA 20 5.609 -14.078 10.197 151 2HB ALA 20 2HB ALA 20 6.338 -15.338 9.199 152 3HB ALA 20 3HB ALA 20 6.998 -14.986 10.797 153 H ASP 21 H ASP 21 7.102 -13.345 6.807 154 HA ASP 21 HA ASP 21 8.717 -15.556 6.012 155 1HB ASP 21 2HB ASP 21 6.631 -14.703 4.838 156 2HB ASP 21 3HB ASP 21 7.629 -13.402 4.196 157 H MET 22 H MET 22 9.453 -12.292 6.654 158 HA MET 22 HA MET 22 11.965 -12.545 5.139 159 1HB MET 22 2HB MET 22 10.019 -10.349 5.341 160 2HB MET 22 3HB MET 22 11.694 -9.856 5.546 161 1HG MET 22 2HG MET 22 11.303 -9.612 3.274 162 2HG MET 22 3HG MET 22 12.153 -11.152 3.399 163 1HE MET 22 1HE MET 22 8.702 -10.345 4.520 164 2HE MET 22 2HE MET 22 8.241 -9.732 2.931 165 3HE MET 22 3HE MET 22 7.618 -11.284 3.494 166 H VAL 23 H VAL 23 13.538 -10.734 6.060 167 HA VAL 23 HA VAL 23 13.919 -11.354 8.886 168 HB VAL 23 HB VAL 23 15.715 -9.641 7.170 169 1HG1 VAL 23 1HG1 VAL 23 16.225 -11.289 9.643 170 2HG1 VAL 23 2HG1 VAL 23 17.444 -10.379 8.751 171 3HG1 VAL 23 3HG1 VAL 23 16.126 -9.530 9.556 172 1HG2 VAL 23 1HG2 VAL 23 15.119 -12.256 6.568 173 2HG2 VAL 23 2HG2 VAL 23 16.577 -11.390 6.085 174 3HG2 VAL 23 3HG2 VAL 23 16.588 -12.393 7.533 175 H MET 24 H MET 24 12.693 -10.111 10.173 176 HA MET 24 HA MET 24 11.855 -7.482 9.461 177 1HB MET 24 2HB MET 24 11.437 -9.355 11.695 178 2HB MET 24 3HB MET 24 11.364 -7.658 12.143 179 1HG MET 24 2HG MET 24 9.322 -9.197 11.079 180 2HG MET 24 3HG MET 24 9.338 -7.449 11.292 181 1HE MET 24 1HE MET 24 8.529 -6.202 9.893 182 2HE MET 24 2HE MET 24 8.964 -5.971 8.201 183 3HE MET 24 3HE MET 24 7.622 -7.032 8.629 184 H LEU 25 H LEU 25 13.473 -6.031 9.239 185 HA LEU 25 HA LEU 25 15.346 -5.740 11.489 186 1HB LEU 25 2HB LEU 25 15.748 -5.951 8.664 187 2HB LEU 25 3HB LEU 25 16.289 -4.371 9.195 188 HG LEU 25 HG LEU 25 17.399 -7.060 9.821 189 1HD1 LEU 25 1HD1 LEU 25 18.441 -4.358 9.052 190 2HD1 LEU 25 2HD1 LEU 25 19.508 -5.604 9.702 191 3HD1 LEU 25 3HD1 LEU 25 18.613 -5.900 8.210 192 1HD2 LEU 25 1HD2 LEU 25 16.754 -6.031 12.019 193 2HD2 LEU 25 2HD2 LEU 25 18.478 -6.340 11.818 194 3HD2 LEU 25 3HD2 LEU 25 17.851 -4.701 11.641 195 H SER 26 H SER 26 15.744 -3.773 12.335 196 HA SER 26 HA SER 26 13.767 -1.708 11.908 197 1HB SER 26 2HB SER 26 15.870 -0.830 13.627 198 2HB SER 26 3HB SER 26 14.229 -1.304 14.069 199 HG SER 26 HG SER 26 14.896 -3.336 14.484 200 HA PRO 27 HA PRO 27 15.851 0.557 8.755 201 1HB PRO 27 2HB PRO 27 15.251 3.123 9.712 202 2HB PRO 27 3HB PRO 27 14.268 2.155 8.613 203 1HG PRO 27 2HG PRO 27 14.047 2.478 11.572 204 2HG PRO 27 3HG PRO 27 12.762 2.357 10.355 205 1HD PRO 27 2HD PRO 27 13.339 0.271 11.877 206 2HD PRO 27 3HD PRO 27 13.018 0.037 10.151 207 H LYS 28 H LYS 28 16.745 0.931 12.071 208 HA LYS 28 HA LYS 28 18.919 2.757 11.625 209 1HB LYS 28 2HB LYS 28 17.838 1.214 13.895 210 2HB LYS 28 3HB LYS 28 19.577 1.469 13.928 211 1HG LYS 28 2HG LYS 28 18.782 3.961 13.360 212 2HG LYS 28 3HG LYS 28 17.370 3.395 14.256 213 1HD LYS 28 2HD LYS 28 20.194 3.130 15.273 214 2HD LYS 28 3HD LYS 28 19.161 4.514 15.636 215 1HE LYS 28 2HE LYS 28 17.852 1.962 16.127 216 2HE LYS 28 3HE LYS 28 19.319 2.167 17.080 217 1HZ LYS 28 HZ1 LYS 28 17.323 4.333 16.951 218 2HZ LYS 28 HZ2 LYS 28 17.084 3.024 17.999 219 3HZ LYS 28 HZ3 LYS 28 18.461 3.997 18.165 220 H ASP 29 H ASP 29 18.582 -0.748 12.019 221 HA ASP 29 HA ASP 29 21.382 -1.223 11.455 222 1HB ASP 29 2HB ASP 29 19.559 -2.690 12.818 223 2HB ASP 29 3HB ASP 29 19.482 -3.481 11.241 224 H ALA 30 H ALA 30 18.328 -1.250 9.798 225 HA ALA 30 HA ALA 30 19.126 -2.583 7.450 226 1HB ALA 30 1HB ALA 30 16.754 -1.999 8.186 227 2HB ALA 30 2HB ALA 30 17.059 -0.408 7.485 228 3HB ALA 30 3HB ALA 30 17.132 -1.849 6.468 229 H TYR 31 H TYR 31 19.265 0.798 8.424 230 HA TYR 31 HA TYR 31 20.308 1.718 5.913 231 1HB TYR 31 HB2 TYR 31 19.126 3.312 7.245 232 2HB TYR 31 HB3 TYR 31 20.132 2.988 8.648 233 HD1 TYR 31 HD1 TYR 31 20.359 4.225 5.150 234 HD2 TYR 31 HD2 TYR 31 21.926 4.411 9.097 235 HE1 TYR 31 HE1 TYR 31 21.841 6.051 4.462 236 HE2 TYR 31 HE2 TYR 31 23.420 6.245 8.421 237 HH TYR 31 HH TYR 31 23.256 7.648 5.173 238 H LYS 32 H LYS 32 21.630 0.554 8.935 239 HA LYS 32 HA LYS 32 24.251 1.445 8.734 240 1HB LYS 32 2HB LYS 32 23.780 0.501 10.782 241 2HB LYS 32 3HB LYS 32 22.901 -0.849 10.081 242 1HG LYS 32 2HG LYS 32 25.644 -1.006 9.303 243 2HG LYS 32 3HG LYS 32 25.535 -0.806 11.053 244 1HD LYS 32 2HD LYS 32 23.577 -2.639 10.593 245 2HD LYS 32 3HD LYS 32 24.759 -3.072 9.355 246 1HE LYS 32 2HE LYS 32 25.503 -4.335 11.117 247 2HE LYS 32 3HE LYS 32 26.453 -2.866 11.340 248 1HZ LYS 32 HZ1 LYS 32 23.846 -3.233 12.693 249 2HZ LYS 32 HZ2 LYS 32 25.285 -3.839 13.360 250 3HZ LYS 32 HZ3 LYS 32 25.113 -2.175 13.093 251 H LEU 33 H LEU 33 22.876 -1.641 7.559 252 HA LEU 33 HA LEU 33 25.317 -2.377 6.246 253 1HB LEU 33 2HB LEU 33 23.547 -3.973 5.039 254 2HB LEU 33 3HB LEU 33 24.219 -4.307 6.620 255 HG LEU 33 HG LEU 33 21.988 -2.791 7.210 256 1HD1 LEU 33 1HD1 LEU 33 21.477 -3.209 4.685 257 2HD1 LEU 33 2HD1 LEU 33 21.010 -4.815 5.248 258 3HD1 LEU 33 3HD1 LEU 33 20.201 -3.385 5.891 259 1HD2 LEU 33 1HD2 LEU 33 22.817 -5.607 7.358 260 2HD2 LEU 33 2HD2 LEU 33 22.181 -4.540 8.610 261 3HD2 LEU 33 3HD2 LEU 33 21.079 -5.327 7.480 262 H LEU 34 H LEU 34 22.491 -0.578 5.391 263 HA LEU 34 HA LEU 34 22.634 -0.714 2.590 264 1HB LEU 34 2HB LEU 34 21.248 0.843 4.587 265 2HB LEU 34 3HB LEU 34 21.760 1.863 3.258 266 HG LEU 34 HG LEU 34 20.303 -0.686 2.691 267 1HD1 LEU 34 1HD1 LEU 34 19.261 1.602 4.142 268 2HD1 LEU 34 2HD1 LEU 34 18.378 1.291 2.646 269 3HD1 LEU 34 3HD1 LEU 34 18.541 0.017 3.857 270 1HD2 LEU 34 1HD2 LEU 34 20.836 1.909 1.313 271 2HD2 LEU 34 2HD2 LEU 34 21.040 0.261 0.721 272 3HD2 LEU 34 3HD2 LEU 34 19.424 0.952 0.867 273 H GLN 35 H GLN 35 23.963 1.676 4.864 274 HA GLN 35 HA GLN 35 25.302 3.109 2.784 275 1HB GLN 35 2HB GLN 35 26.096 4.561 4.479 276 2HB GLN 35 3HB GLN 35 24.457 4.114 4.930 277 1HG GLN 35 2HG GLN 35 25.184 3.432 6.896 278 2HG GLN 35 3HG GLN 35 26.220 2.242 6.108 279 1HE2 GLN 35 1HE2 GLN 35 27.914 2.437 7.500 280 2HE2 GLN 35 2HE2 GLN 35 28.883 3.862 7.629 281 H GLU 36 H GLU 36 26.169 0.483 4.908 282 HA GLU 36 HA GLU 36 28.989 0.796 4.601 283 1HB GLU 36 2HB GLU 36 27.181 -0.887 6.081 284 2HB GLU 36 3HB GLU 36 28.417 -1.871 5.308 285 1HG GLU 36 2HG GLU 36 29.168 0.574 6.850 286 2HG GLU 36 3HG GLU 36 28.831 -0.947 7.678 287 H ASN 37 H ASN 37 26.477 -0.960 2.922 288 HA ASN 37 HA ASN 37 28.521 -2.071 1.108 289 1HB ASN 37 2HB ASN 37 25.942 -3.204 2.140 290 2HB ASN 37 3HB ASN 37 26.598 -3.748 0.601 291 1HD2 ASN 37 1HD2 ASN 37 26.420 -4.481 3.736 292 2HD2 ASN 37 2HD2 ASN 37 27.880 -5.394 3.931 293 HA PRO 38 HA PRO 38 26.457 0.698 -1.769 294 1HB PRO 38 2HB PRO 38 28.427 -0.358 -3.671 295 2HB PRO 38 3HB PRO 38 28.195 1.296 -3.100 296 1HG PRO 38 2HG PRO 38 30.327 -0.176 -2.369 297 2HG PRO 38 3HG PRO 38 29.577 1.001 -1.275 298 1HD PRO 38 2HD PRO 38 29.277 -1.981 -1.347 299 2HD PRO 38 3HD PRO 38 29.469 -0.903 0.054 300 H ASP 39 H ASP 39 26.468 -2.617 -1.677 301 HA ASP 39 HA ASP 39 25.038 -2.879 -4.226 302 1HB ASP 39 2HB ASP 39 26.902 -4.587 -2.847 303 2HB ASP 39 3HB ASP 39 25.372 -5.431 -3.067 304 H ILE 40 H ILE 40 24.651 -2.796 -0.843 305 HA ILE 40 HA ILE 40 22.147 -4.213 -0.757 306 HB ILE 40 HB ILE 40 23.388 -2.302 1.231 307 1HG1 ILE 40 2HG1 ILE 40 23.732 -5.128 0.654 308 2HG1 ILE 40 3HG1 ILE 40 24.680 -4.080 1.697 309 1HG2 ILE 40 1HG2 ILE 40 20.874 -2.406 1.276 310 2HG2 ILE 40 2HG2 ILE 40 21.026 -4.112 1.697 311 3HG2 ILE 40 3HG2 ILE 40 21.674 -2.877 2.775 312 1HD1 ILE 40 1HD1 ILE 40 22.510 -4.489 3.249 313 2HD1 ILE 40 2HD1 ILE 40 22.572 -6.008 2.358 314 3HD1 ILE 40 3HD1 ILE 40 23.968 -5.479 3.293 315 H THR 41 H THR 41 20.426 -3.456 -1.696 316 HA THR 41 HA THR 41 20.145 -0.551 -2.037 317 HB THR 41 HB THR 41 18.380 -2.435 -3.513 318 HG1 THR 41 HG1 THR 41 20.995 -2.826 -3.500 319 1HG2 THR 41 1HG2 THR 41 18.772 0.240 -3.609 320 2HG2 THR 41 2HG2 THR 41 19.878 -0.292 -4.876 321 3HG2 THR 41 3HG2 THR 41 18.168 -0.715 -4.963 322 H LEU 42 H LEU 42 18.316 0.526 -1.342 323 HA LEU 42 HA LEU 42 16.390 -1.076 0.193 324 1HB LEU 42 2HB LEU 42 17.410 0.637 1.562 325 2HB LEU 42 3HB LEU 42 17.072 1.865 0.356 326 HG LEU 42 HG LEU 42 14.572 1.187 0.793 327 1HD1 LEU 42 1HD1 LEU 42 16.058 -0.035 3.054 328 2HD1 LEU 42 2HD1 LEU 42 14.522 0.764 3.397 329 3HD1 LEU 42 3HD1 LEU 42 14.585 -0.569 2.243 330 1HD2 LEU 42 1HD2 LEU 42 15.903 3.337 1.358 331 2HD2 LEU 42 2HD2 LEU 42 14.362 3.033 2.160 332 3HD2 LEU 42 3HD2 LEU 42 15.878 2.710 3.008 333 H ILE 43 H ILE 43 14.520 -1.416 -0.741 334 HA ILE 43 HA ILE 43 13.660 0.418 -2.871 335 HB ILE 43 HB ILE 43 13.146 -2.497 -2.409 336 1HG1 ILE 43 2HG1 ILE 43 13.338 -2.146 -5.070 337 2HG1 ILE 43 3HG1 ILE 43 14.228 -0.726 -4.524 338 1HG2 ILE 43 1HG2 ILE 43 11.123 -0.605 -3.223 339 2HG2 ILE 43 2HG2 ILE 43 11.464 -1.760 -4.511 340 3HG2 ILE 43 3HG2 ILE 43 10.982 -2.336 -2.916 341 1HD1 ILE 43 1HD1 ILE 43 14.822 -3.569 -3.750 342 2HD1 ILE 43 2HD1 ILE 43 15.700 -2.613 -4.943 343 3HD1 ILE 43 3HD1 ILE 43 15.721 -2.140 -3.246 344 H ASP 44 H ASP 44 12.298 1.877 -2.204 345 HA ASP 44 HA ASP 44 10.569 1.257 0.082 346 1HB ASP 44 2HB ASP 44 11.720 3.228 0.581 347 2HB ASP 44 3HB ASP 44 11.631 3.814 -1.078 348 H VAL 45 H VAL 45 8.396 1.394 -0.047 349 HA VAL 45 HA VAL 45 7.279 2.198 -2.648 350 HB VAL 45 HB VAL 45 5.328 0.569 -1.918 351 1HG1 VAL 45 1HG1 VAL 45 7.882 -0.380 -3.207 352 2HG1 VAL 45 2HG1 VAL 45 6.316 -1.179 -3.327 353 3HG1 VAL 45 3HG1 VAL 45 6.539 0.428 -4.017 354 1HG2 VAL 45 1HG2 VAL 45 7.614 -0.277 -0.257 355 2HG2 VAL 45 2HG2 VAL 45 5.882 -0.503 -0.008 356 3HG2 VAL 45 3HG2 VAL 45 6.760 -1.565 -1.107 357 H ARG 46 H ARG 46 6.826 4.218 -1.970 358 HA ARG 46 HA ARG 46 4.545 4.473 -0.180 359 1HB ARG 46 2HB ARG 46 7.189 5.863 0.171 360 2HB ARG 46 3HB ARG 46 5.701 6.611 0.728 361 1HG ARG 46 2HG ARG 46 6.274 3.818 1.568 362 2HG ARG 46 3HG ARG 46 7.182 5.132 2.321 363 1HD ARG 46 2HD ARG 46 4.201 5.271 2.112 364 2HD ARG 46 3HD ARG 46 4.962 4.335 3.398 365 HE ARG 46 HE ARG 46 6.212 6.649 3.690 366 1HH1 ARG 46 1HH1 ARG 46 2.821 6.020 3.123 367 2HH1 ARG 46 2HH1 ARG 46 2.274 7.423 3.989 368 1HH2 ARG 46 1HH2 ARG 46 5.504 8.513 4.842 369 2HH2 ARG 46 2HH2 ARG 46 3.800 8.859 4.952 370 H ASP 47 H ASP 47 3.333 6.364 -0.558 371 HA ASP 47 HA ASP 47 3.288 7.011 -3.323 372 1HB ASP 47 2HB ASP 47 1.579 8.208 -1.131 373 2HB ASP 47 3HB ASP 47 1.188 8.084 -2.844 374 HA PRO 48 HA PRO 48 5.833 10.477 -3.544 375 1HB PRO 48 2HB PRO 48 4.401 11.976 -5.411 376 2HB PRO 48 3HB PRO 48 5.560 10.695 -5.778 377 1HG PRO 48 2HG PRO 48 2.583 10.583 -5.651 378 2HG PRO 48 3HG PRO 48 3.696 9.760 -6.761 379 1HD PRO 48 2HD PRO 48 2.540 8.451 -4.737 380 2HD PRO 48 3HD PRO 48 4.219 8.112 -5.210 381 H ASP 49 H ASP 49 2.447 11.069 -2.846 382 HA ASP 49 HA ASP 49 2.870 13.844 -2.218 383 1HB ASP 49 2HB ASP 49 0.641 12.434 -2.830 384 2HB ASP 49 3HB ASP 49 0.494 12.521 -1.077 385 H GLU 50 H GLU 50 2.662 10.835 -0.364 386 HA GLU 50 HA GLU 50 2.879 12.163 2.171 387 1HB GLU 50 2HB GLU 50 2.817 9.358 1.212 388 2HB GLU 50 3HB GLU 50 3.684 9.645 2.715 389 1HG GLU 50 2HG GLU 50 1.234 11.057 2.852 390 2HG GLU 50 3HG GLU 50 0.886 9.423 2.291 391 H LEU 51 H LEU 51 5.043 10.677 -0.171 392 HA LEU 51 HA LEU 51 7.461 10.817 1.266 393 1HB LEU 51 2HB LEU 51 6.625 10.121 -1.325 394 2HB LEU 51 3HB LEU 51 7.795 11.407 -1.543 395 HG LEU 51 HG LEU 51 9.424 10.109 -0.198 396 1HD1 LEU 51 1HD1 LEU 51 7.273 8.710 0.699 397 2HD1 LEU 51 2HD1 LEU 51 7.936 7.606 -0.506 398 3HD1 LEU 51 3HD1 LEU 51 8.949 8.171 0.823 399 1HD2 LEU 51 1HD2 LEU 51 8.549 9.684 -2.837 400 2HD2 LEU 51 2HD2 LEU 51 10.144 9.366 -2.154 401 3HD2 LEU 51 3HD2 LEU 51 8.918 8.099 -2.159 402 H LYS 52 H LYS 52 5.619 13.161 -0.504 403 HA LYS 52 HA LYS 52 7.635 15.212 -0.467 404 1HB LYS 52 2HB LYS 52 5.062 14.859 -1.656 405 2HB LYS 52 3HB LYS 52 5.047 16.362 -0.745 406 1HG LYS 52 2HG LYS 52 5.997 17.318 -2.503 407 2HG LYS 52 3HG LYS 52 7.462 16.422 -2.102 408 1HD LYS 52 2HD LYS 52 7.063 15.911 -4.352 409 2HD LYS 52 3HD LYS 52 6.451 14.511 -3.469 410 1HE LYS 52 2HE LYS 52 4.264 15.000 -3.929 411 2HE LYS 52 3HE LYS 52 4.565 16.733 -4.054 412 1HZ LYS 52 HZ1 LYS 52 5.990 15.576 -6.113 413 2HZ LYS 52 HZ2 LYS 52 4.496 14.774 -6.108 414 3HZ LYS 52 HZ3 LYS 52 4.549 16.464 -6.237 415 H ALA 53 H ALA 53 4.846 14.331 1.490 416 HA ALA 53 HA ALA 53 4.903 16.709 3.054 417 1HB ALA 53 1HB ALA 53 3.429 14.110 3.292 418 2HB ALA 53 2HB ALA 53 3.279 15.386 4.501 419 3HB ALA 53 3HB ALA 53 2.812 15.695 2.830 420 H MET 54 H MET 54 5.800 13.329 3.805 421 HA MET 54 HA MET 54 6.889 14.271 6.356 422 1HB MET 54 2HB MET 54 6.167 11.557 5.278 423 2HB MET 54 3HB MET 54 7.115 11.735 6.746 424 1HG MET 54 2HG MET 54 4.905 13.437 7.038 425 2HG MET 54 3HG MET 54 4.284 11.926 6.374 426 1HE MET 54 1HE MET 54 2.837 11.790 8.406 427 2HE MET 54 2HE MET 54 3.391 10.130 8.183 428 3HE MET 54 3HE MET 54 3.343 10.835 9.800 429 H GLY 55 H GLY 55 7.900 12.685 3.397 430 1HA GLY 55 1HA GLY 55 10.184 13.412 2.702 431 2HA GLY 55 2HA GLY 55 10.693 12.902 4.303 432 H LYS 56 H LYS 56 12.109 11.812 2.478 433 HA LYS 56 HA LYS 56 11.224 9.024 2.418 434 1HB LYS 56 2HB LYS 56 11.998 8.723 0.117 435 2HB LYS 56 3HB LYS 56 10.714 9.921 0.177 436 1HG LYS 56 2HG LYS 56 12.999 11.438 0.424 437 2HG LYS 56 3HG LYS 56 13.466 10.173 -0.715 438 1HD LYS 56 2HD LYS 56 12.246 11.079 -2.346 439 2HD LYS 56 3HD LYS 56 10.831 11.207 -1.301 440 1HE LYS 56 2HE LYS 56 12.884 13.138 -0.618 441 2HE LYS 56 3HE LYS 56 12.349 13.299 -2.289 442 1HZ LYS 56 HZ1 LYS 56 10.367 13.077 -0.119 443 2HZ LYS 56 HZ2 LYS 56 11.092 14.571 -0.461 444 3HZ LYS 56 HZ3 LYS 56 10.197 13.766 -1.656 445 HA PRO 57 HA PRO 57 15.252 8.268 3.955 446 1HB PRO 57 2HB PRO 57 16.013 6.021 2.512 447 2HB PRO 57 3HB PRO 57 15.059 6.018 4.000 448 1HG PRO 57 2HG PRO 57 14.171 5.753 1.170 449 2HG PRO 57 3HG PRO 57 13.494 5.019 2.635 450 1HD PRO 57 2HD PRO 57 12.331 7.116 1.368 451 2HD PRO 57 3HD PRO 57 12.217 6.870 3.122 452 H ASP 58 H ASP 58 16.988 9.408 3.530 453 HA ASP 58 HA ASP 58 17.918 9.807 0.794 454 1HB ASP 58 2HB ASP 58 17.826 11.686 2.509 455 2HB ASP 58 3HB ASP 58 19.139 10.871 3.353 456 H VAL 59 H VAL 59 18.729 7.829 0.208 457 HA VAL 59 HA VAL 59 21.070 6.894 1.724 458 HB VAL 59 HB VAL 59 20.173 4.595 0.546 459 1HG1 VAL 59 1HG1 VAL 59 20.886 5.240 2.975 460 2HG1 VAL 59 2HG1 VAL 59 19.143 5.267 3.254 461 3HG1 VAL 59 3HG1 VAL 59 19.921 3.794 2.676 462 1HG2 VAL 59 1HG2 VAL 59 17.950 6.276 0.455 463 2HG2 VAL 59 2HG2 VAL 59 17.984 4.527 0.221 464 3HG2 VAL 59 3HG2 VAL 59 17.669 5.196 1.821 465 H LYS 60 H LYS 60 22.703 5.893 0.480 466 HA LYS 60 HA LYS 60 23.145 7.092 -2.035 467 1HB LYS 60 2HB LYS 60 24.892 4.945 -1.930 468 2HB LYS 60 3HB LYS 60 25.214 6.575 -1.363 469 1HG LYS 60 2HG LYS 60 24.745 6.008 0.865 470 2HG LYS 60 3HG LYS 60 23.962 4.495 0.400 471 1HD LYS 60 2HD LYS 60 25.902 3.453 0.675 472 2HD LYS 60 3HD LYS 60 26.570 4.406 -0.651 473 1HE LYS 60 2HE LYS 60 26.666 6.173 1.432 474 2HE LYS 60 3HE LYS 60 26.992 4.639 2.238 475 1HZ LYS 60 HZ1 LYS 60 28.454 5.627 -0.154 476 2HZ LYS 60 HZ2 LYS 60 29.010 5.777 1.440 477 3HZ LYS 60 HZ3 LYS 60 28.815 4.239 0.754 478 H ASN 61 H ASN 61 21.920 3.963 -1.081 479 HA ASN 61 HA ASN 61 21.569 3.284 -3.922 480 1HB ASN 61 2HB ASN 61 22.937 1.836 -2.028 481 2HB ASN 61 3HB ASN 61 21.348 1.078 -2.007 482 1HD2 ASN 61 1HD2 ASN 61 22.648 -0.741 -2.776 483 2HD2 ASN 61 2HD2 ASN 61 22.910 -0.898 -4.477 484 H TYR 62 H TYR 62 19.655 4.757 -3.486 485 HA TYR 62 HA TYR 62 17.451 3.327 -2.190 486 1HB TYR 62 HB2 TYR 62 17.941 5.555 -1.321 487 2HB TYR 62 HB3 TYR 62 17.820 6.235 -2.937 488 HD1 TYR 62 HD1 TYR 62 15.534 3.753 -1.379 489 HD2 TYR 62 HD2 TYR 62 16.081 7.765 -2.673 490 HE1 TYR 62 HE1 TYR 62 13.142 4.189 -1.020 491 HE2 TYR 62 HE2 TYR 62 13.692 8.216 -2.316 492 HH TYR 62 HH TYR 62 11.509 5.743 -1.016 493 H LYS 63 H LYS 63 15.944 2.375 -3.498 494 HA LYS 63 HA LYS 63 15.504 3.603 -6.127 495 1HB LYS 63 2HB LYS 63 15.458 0.657 -5.421 496 2HB LYS 63 3HB LYS 63 14.898 1.324 -6.944 497 1HG LYS 63 2HG LYS 63 17.241 2.296 -7.162 498 2HG LYS 63 3HG LYS 63 17.688 1.153 -5.900 499 1HD LYS 63 2HD LYS 63 16.442 -0.557 -7.459 500 2HD LYS 63 3HD LYS 63 16.786 0.648 -8.701 501 1HE LYS 63 2HE LYS 63 19.051 -0.049 -6.956 502 2HE LYS 63 3HE LYS 63 18.468 -1.354 -7.986 503 1HZ LYS 63 HZ1 LYS 63 18.703 1.089 -9.437 504 2HZ LYS 63 HZ2 LYS 63 20.174 0.676 -8.699 505 3HZ LYS 63 HZ3 LYS 63 19.414 -0.419 -9.747 506 H HIS 64 H HIS 64 13.614 4.637 -5.943 507 HA HIS 64 HA HIS 64 11.547 3.566 -4.187 508 1HB HIS 64 2HB HIS 64 12.042 5.945 -3.994 509 2HB HIS 64 3HB HIS 64 11.771 6.174 -5.715 510 HD1 HIS 64 HD1 HIS 64 9.844 7.789 -5.565 511 HD2 HIS 64 HD2 HIS 64 9.194 4.301 -3.393 512 HE1 HIS 64 HE1 HIS 64 7.428 7.855 -4.871 513 HE2 HIS 64 HE2 HIS 64 7.154 5.890 -3.338 514 H MET 65 H MET 65 10.145 2.149 -5.032 515 HA MET 65 HA MET 65 9.562 2.285 -7.898 516 1HB MET 65 2HB MET 65 10.093 0.139 -6.124 517 2HB MET 65 3HB MET 65 8.404 0.001 -6.594 518 1HG MET 65 2HG MET 65 8.984 -0.843 -8.548 519 2HG MET 65 3HG MET 65 9.952 0.584 -8.909 520 1HE MET 65 1HE MET 65 11.798 0.783 -6.853 521 2HE MET 65 2HE MET 65 12.742 -0.595 -6.283 522 3HE MET 65 3HE MET 65 13.180 0.212 -7.790 523 H SER 66 H SER 66 7.253 1.539 -8.405 524 HA SER 66 HA SER 66 5.382 3.264 -7.059 525 1HB SER 66 2HB SER 66 4.299 1.260 -8.912 526 2HB SER 66 3HB SER 66 4.157 3.019 -8.948 527 HG SER 66 HG SER 66 5.519 2.882 -10.547 528 H ARG 67 H ARG 67 3.199 2.235 -6.365 529 HA ARG 67 HA ARG 67 3.900 0.197 -4.434 530 1HB ARG 67 2HB ARG 67 1.610 2.066 -4.816 531 2HB ARG 67 3HB ARG 67 1.338 0.612 -3.865 532 1HG ARG 67 2HG ARG 67 2.056 1.825 -2.143 533 2HG ARG 67 3HG ARG 67 3.670 1.560 -2.804 534 1HD ARG 67 2HD ARG 67 1.973 3.854 -3.720 535 2HD ARG 67 3HD ARG 67 2.941 3.967 -2.250 536 HE ARG 67 HE ARG 67 4.883 3.396 -3.740 537 1HH1 ARG 67 1HH1 ARG 67 2.026 4.999 -4.971 538 2HH1 ARG 67 2HH1 ARG 67 2.846 5.727 -6.317 539 1HH2 ARG 67 1HH2 ARG 67 5.989 4.367 -5.488 540 2HH2 ARG 67 2HH2 ARG 67 5.121 5.400 -6.591 541 H GLY 68 H GLY 68 1.540 0.572 -7.053 542 1HA GLY 68 1HA GLY 68 0.988 -2.304 -6.912 543 2HA GLY 68 2HA GLY 68 -0.003 -1.111 -7.746 544 H LYS 69 H LYS 69 2.171 0.252 -8.971 545 HA LYS 69 HA LYS 69 2.671 -1.596 -11.162 546 1HB LYS 69 2HB LYS 69 2.020 1.092 -11.057 547 2HB LYS 69 3HB LYS 69 3.739 1.114 -11.424 548 1HG LYS 69 2HG LYS 69 3.355 -0.314 -13.363 549 2HG LYS 69 3HG LYS 69 1.631 -0.364 -12.989 550 1HD LYS 69 2HD LYS 69 1.510 1.372 -14.418 551 2HD LYS 69 3HD LYS 69 2.069 2.311 -13.033 552 1HE LYS 69 2HE LYS 69 4.014 2.774 -14.023 553 2HE LYS 69 3HE LYS 69 4.270 1.088 -14.468 554 1HZ LYS 69 HZ1 LYS 69 2.298 2.621 -15.997 555 2HZ LYS 69 HZ2 LYS 69 3.936 2.953 -16.272 556 3HZ LYS 69 HZ3 LYS 69 3.338 1.380 -16.503 557 H LEU 70 H LEU 70 4.110 -1.882 -8.598 558 HA LEU 70 HA LEU 70 6.782 -0.957 -8.995 559 1HB LEU 70 2HB LEU 70 7.072 -1.662 -6.895 560 2HB LEU 70 3HB LEU 70 5.362 -2.031 -6.882 561 HG LEU 70 HG LEU 70 6.703 -4.275 -8.002 562 1HD1 LEU 70 1HD1 LEU 70 8.593 -3.033 -6.620 563 2HD1 LEU 70 2HD1 LEU 70 7.788 -3.843 -5.276 564 3HD1 LEU 70 3HD1 LEU 70 8.433 -4.789 -6.619 565 1HD2 LEU 70 1HD2 LEU 70 4.554 -4.036 -6.620 566 2HD2 LEU 70 2HD2 LEU 70 5.572 -5.449 -6.333 567 3HD2 LEU 70 3HD2 LEU 70 5.618 -4.086 -5.215 568 H GLU 71 H GLU 71 5.014 -3.924 -9.569 569 HA GLU 71 HA GLU 71 7.003 -5.672 -10.169 570 1HB GLU 71 2HB GLU 71 5.153 -6.309 -12.142 571 2HB GLU 71 3HB GLU 71 5.216 -6.943 -10.507 572 1HG GLU 71 2HG GLU 71 3.265 -6.019 -10.037 573 2HG GLU 71 3HG GLU 71 3.871 -4.423 -10.483 574 HA PRO 72 HA PRO 72 7.496 -4.301 -14.742 575 1HB PRO 72 2HB PRO 72 6.420 -1.982 -15.586 576 2HB PRO 72 3HB PRO 72 5.516 -3.502 -15.605 577 1HG PRO 72 2HG PRO 72 5.423 -1.268 -13.618 578 2HG PRO 72 3HG PRO 72 4.085 -2.184 -14.336 579 1HD PRO 72 2HD PRO 72 5.074 -2.697 -11.859 580 2HD PRO 72 3HD PRO 72 4.351 -3.945 -12.891 581 H LEU 73 H LEU 73 7.630 -2.077 -12.100 582 HA LEU 73 HA LEU 73 9.611 -0.375 -13.370 583 1HB LEU 73 2HB LEU 73 7.777 -0.136 -11.195 584 2HB LEU 73 3HB LEU 73 9.392 0.152 -10.569 585 HG LEU 73 HG LEU 73 8.179 2.211 -11.281 586 1HD1 LEU 73 1HD1 LEU 73 10.842 1.367 -12.160 587 2HD1 LEU 73 2HD1 LEU 73 10.194 2.768 -13.014 588 3HD1 LEU 73 3HD1 LEU 73 10.340 2.795 -11.256 589 1HD2 LEU 73 1HD2 LEU 73 7.368 0.790 -13.430 590 2HD2 LEU 73 2HD2 LEU 73 7.387 2.551 -13.360 591 3HD2 LEU 73 3HD2 LEU 73 8.719 1.685 -14.125 592 H LEU 74 H LEU 74 9.548 -3.216 -11.529 593 HA LEU 74 HA LEU 74 11.825 -3.025 -9.940 594 1HB LEU 74 2HB LEU 74 9.961 -4.923 -10.410 595 2HB LEU 74 3HB LEU 74 11.317 -5.614 -11.275 596 HG LEU 74 HG LEU 74 12.663 -5.521 -9.202 597 1HD1 LEU 74 1HD1 LEU 74 10.142 -4.322 -8.146 598 2HD1 LEU 74 2HD1 LEU 74 11.171 -5.284 -7.086 599 3HD1 LEU 74 3HD1 LEU 74 11.816 -3.841 -7.869 600 1HD2 LEU 74 1HD2 LEU 74 11.026 -7.425 -9.966 601 2HD2 LEU 74 2HD2 LEU 74 11.836 -7.497 -8.400 602 3HD2 LEU 74 3HD2 LEU 74 10.157 -6.966 -8.500 603 H ALA 75 H ALA 75 11.529 -4.382 -13.211 604 HA ALA 75 HA ALA 75 14.320 -4.805 -13.535 605 1HB ALA 75 1HB ALA 75 11.951 -4.899 -15.358 606 2HB ALA 75 2HB ALA 75 13.587 -5.027 -16.005 607 3HB ALA 75 3HB ALA 75 13.009 -6.207 -14.828 608 H LYS 76 H LYS 76 12.204 -2.124 -14.122 609 HA LYS 76 HA LYS 76 13.920 -0.729 -15.930 610 1HB LYS 76 2HB LYS 76 11.716 0.414 -14.209 611 2HB LYS 76 3HB LYS 76 12.413 1.142 -15.650 612 1HG LYS 76 2HG LYS 76 11.356 -1.535 -16.101 613 2HG LYS 76 3HG LYS 76 10.142 -0.373 -15.559 614 1HD LYS 76 2HD LYS 76 10.026 0.039 -17.791 615 2HD LYS 76 3HD LYS 76 11.355 1.131 -17.397 616 1HE LYS 76 2HE LYS 76 11.822 -0.235 -19.387 617 2HE LYS 76 3HE LYS 76 12.973 -0.529 -18.086 618 1HZ LYS 76 HZ1 LYS 76 10.852 -2.343 -17.812 619 2HZ LYS 76 HZ2 LYS 76 11.365 -2.382 -19.428 620 3HZ LYS 76 HZ3 LYS 76 12.474 -2.668 -18.179 621 H SER 77 H SER 77 13.616 -0.941 -12.477 622 HA SER 77 HA SER 77 15.242 1.369 -11.941 623 1HB SER 77 2HB SER 77 14.445 -0.912 -10.113 624 2HB SER 77 3HB SER 77 15.161 0.617 -9.605 625 HG SER 77 HG SER 77 12.590 0.118 -10.668 626 H GLY 78 H GLY 78 15.699 -2.122 -12.183 627 1HA GLY 78 1HA GLY 78 17.719 -3.050 -12.990 628 2HA GLY 78 2HA GLY 78 18.570 -1.612 -12.442 629 H LEU 79 H LEU 79 16.998 -4.566 -11.382 630 HA LEU 79 HA LEU 79 18.710 -4.529 -8.990 631 1HB LEU 79 2HB LEU 79 15.902 -5.597 -9.275 632 2HB LEU 79 3HB LEU 79 16.928 -5.891 -7.882 633 HG LEU 79 HG LEU 79 16.279 -3.099 -8.761 634 1HD1 LEU 79 1HD1 LEU 79 14.255 -4.736 -8.249 635 2HD1 LEU 79 2HD1 LEU 79 14.699 -4.346 -6.587 636 3HD1 LEU 79 3HD1 LEU 79 14.270 -3.056 -7.712 637 1HD2 LEU 79 1HD2 LEU 79 17.258 -4.403 -6.238 638 2HD2 LEU 79 2HD2 LEU 79 18.026 -3.137 -7.197 639 3HD2 LEU 79 3HD2 LEU 79 16.585 -2.774 -6.250 640 H ASP 80 H ASP 80 19.619 -6.526 -8.371 641 HA ASP 80 HA ASP 80 19.355 -8.686 -10.331 642 1HB ASP 80 2HB ASP 80 21.486 -8.380 -10.955 643 2HB ASP 80 3HB ASP 80 21.654 -7.060 -9.810 644 HA PRO 81 HA PRO 81 18.210 -10.993 -6.865 645 1HB PRO 81 2HB PRO 81 18.761 -13.530 -7.749 646 2HB PRO 81 3HB PRO 81 17.372 -12.569 -8.275 647 1HG PRO 81 2HG PRO 81 20.010 -12.983 -9.623 648 2HG PRO 81 3HG PRO 81 18.382 -12.968 -10.327 649 1HD PRO 81 2HD PRO 81 20.016 -10.848 -10.523 650 2HD PRO 81 3HD PRO 81 18.263 -10.654 -10.313 651 H GLU 82 H GLU 82 21.482 -10.739 -7.577 652 HA GLU 82 HA GLU 82 22.232 -12.508 -5.347 653 1HB GLU 82 2HB GLU 82 23.921 -11.128 -7.444 654 2HB GLU 82 3HB GLU 82 24.580 -12.035 -6.091 655 1HG GLU 82 2HG GLU 82 22.768 -13.184 -8.200 656 2HG GLU 82 3HG GLU 82 24.527 -13.299 -8.210 657 H LYS 83 H LYS 83 21.028 -9.609 -5.626 658 HA LYS 83 HA LYS 83 22.972 -8.215 -3.931 659 1HB LYS 83 2HB LYS 83 20.744 -7.324 -5.717 660 2HB LYS 83 3HB LYS 83 21.258 -6.279 -4.399 661 1HG LYS 83 2HG LYS 83 23.589 -6.452 -5.311 662 2HG LYS 83 3HG LYS 83 22.892 -7.254 -6.719 663 1HD LYS 83 2HD LYS 83 21.334 -5.183 -6.814 664 2HD LYS 83 3HD LYS 83 22.557 -4.426 -5.794 665 1HE LYS 83 2HE LYS 83 22.588 -4.940 -8.637 666 2HE LYS 83 3HE LYS 83 23.653 -3.921 -7.668 667 1HZ LYS 83 HZ1 LYS 83 24.943 -5.889 -7.091 668 2HZ LYS 83 HZ2 LYS 83 23.921 -6.861 -8.040 669 3HZ LYS 83 HZ3 LYS 83 24.884 -5.674 -8.776 670 HA PRO 84 HA PRO 84 20.235 -8.860 -0.449 671 1HB PRO 84 2HB PRO 84 21.680 -7.448 1.335 672 2HB PRO 84 3HB PRO 84 22.173 -9.058 0.797 673 1HG PRO 84 2HG PRO 84 23.186 -6.382 -0.049 674 2HG PRO 84 3HG PRO 84 24.086 -7.881 0.239 675 1HD PRO 84 2HD PRO 84 23.366 -6.944 -2.248 676 2HD PRO 84 3HD PRO 84 23.697 -8.648 -1.873 677 H VAL 85 H VAL 85 18.401 -7.728 -0.298 678 HA VAL 85 HA VAL 85 18.544 -4.787 -0.432 679 HB VAL 85 HB VAL 85 16.239 -5.018 -1.590 680 1HG1 VAL 85 1HG1 VAL 85 18.951 -5.328 -2.741 681 2HG1 VAL 85 2HG1 VAL 85 17.580 -5.587 -3.821 682 3HG1 VAL 85 3HG1 VAL 85 17.759 -4.050 -2.974 683 1HG2 VAL 85 1HG2 VAL 85 17.418 -7.735 -2.161 684 2HG2 VAL 85 2HG2 VAL 85 15.936 -7.400 -1.263 685 3HG2 VAL 85 3HG2 VAL 85 16.024 -7.036 -2.988 686 H VAL 86 H VAL 86 16.869 -3.635 0.596 687 HA VAL 86 HA VAL 86 15.194 -5.195 2.434 688 HB VAL 86 HB VAL 86 16.784 -4.355 3.932 689 1HG1 VAL 86 1HG1 VAL 86 17.975 -2.915 2.352 690 2HG1 VAL 86 2HG1 VAL 86 16.710 -1.697 2.520 691 3HG1 VAL 86 3HG1 VAL 86 17.718 -2.118 3.906 692 1HG2 VAL 86 1HG2 VAL 86 14.505 -2.395 3.820 693 2HG2 VAL 86 2HG2 VAL 86 14.647 -3.839 4.819 694 3HG2 VAL 86 3HG2 VAL 86 15.677 -2.444 5.136 695 H VAL 87 H VAL 87 13.100 -4.420 2.679 696 HA VAL 87 HA VAL 87 12.363 -2.343 0.734 697 HB VAL 87 HB VAL 87 10.037 -3.247 0.949 698 1HG1 VAL 87 1HG1 VAL 87 12.329 -4.499 -0.316 699 2HG1 VAL 87 2HG1 VAL 87 11.012 -5.637 -0.036 700 3HG1 VAL 87 3HG1 VAL 87 10.724 -4.165 -0.962 701 1HG2 VAL 87 1HG2 VAL 87 10.595 -4.345 3.203 702 2HG2 VAL 87 2HG2 VAL 87 9.551 -5.219 2.083 703 3HG2 VAL 87 3HG2 VAL 87 11.251 -5.664 2.233 704 H PHE 88 H PHE 88 11.344 -0.526 1.325 705 HA PHE 88 HA PHE 88 10.818 -0.187 4.204 706 1HB PHE 88 2HB PHE 88 12.792 1.057 2.958 707 2HB PHE 88 3HB PHE 88 11.500 2.143 2.461 708 HD1 PHE 88 HD1 PHE 88 12.189 0.385 5.707 709 HD2 PHE 88 HD2 PHE 88 11.678 4.091 3.659 710 HE1 PHE 88 HE1 PHE 88 12.325 1.583 7.835 711 HE2 PHE 88 HE2 PHE 88 11.811 5.279 5.788 712 HZ PHE 88 HZ PHE 88 12.136 4.032 7.882 713 H CYS 89 H CYS 89 9.038 0.950 4.840 714 HA CYS 89 HA CYS 89 7.323 2.504 3.318 715 1HB CYS 89 2HB CYS 89 6.872 0.461 2.004 716 2HB CYS 89 3HB CYS 89 6.390 -0.380 3.472 717 H LYS 90 H LYS 90 6.497 -0.258 5.365 718 HA LYS 90 HA LYS 90 6.440 1.251 7.761 719 1HB LYS 90 2HB LYS 90 4.093 1.438 6.253 720 2HB LYS 90 3HB LYS 90 3.741 0.224 7.475 721 1HG LYS 90 2HG LYS 90 5.082 2.563 8.572 722 2HG LYS 90 3HG LYS 90 3.544 2.945 7.794 723 1HD LYS 90 2HD LYS 90 2.333 1.579 9.234 724 2HD LYS 90 3HD LYS 90 3.758 0.647 9.701 725 1HE LYS 90 2HE LYS 90 3.610 3.561 10.339 726 2HE LYS 90 3HE LYS 90 2.740 2.401 11.342 727 1HZ LYS 90 HZ1 LYS 90 5.164 1.268 11.181 728 2HZ LYS 90 HZ2 LYS 90 5.582 2.912 11.140 729 3HZ LYS 90 HZ3 LYS 90 4.677 2.299 12.436 730 H THR 91 H THR 91 4.352 -0.533 8.900 731 HA THR 91 HA THR 91 6.101 -2.864 9.170 732 HB THR 91 HB THR 91 4.034 -2.612 11.182 733 HG1 THR 91 HG1 THR 91 5.291 -0.634 12.037 734 1HG2 THR 91 1HG2 THR 91 6.275 -3.845 11.213 735 2HG2 THR 91 2HG2 THR 91 6.992 -2.268 11.545 736 3HG2 THR 91 3HG2 THR 91 5.813 -2.956 12.664 737 H ALA 92 H ALA 92 3.958 -2.624 7.075 738 HA ALA 92 HA ALA 92 2.309 -4.894 7.969 739 1HB ALA 92 1HB ALA 92 1.387 -2.369 7.474 740 2HB ALA 92 2HB ALA 92 1.057 -3.208 5.958 741 3HB ALA 92 3HB ALA 92 0.417 -3.841 7.474 742 H ALA 93 H ALA 93 0.999 -5.663 5.889 743 HA ALA 93 HA ALA 93 2.779 -7.192 4.410 744 1HB ALA 93 1HB ALA 93 0.125 -7.263 4.875 745 2HB ALA 93 2HB ALA 93 0.146 -6.762 3.184 746 3HB ALA 93 3HB ALA 93 0.948 -8.255 3.672 747 H ARG 94 H ARG 94 1.516 -4.031 3.724 748 HA ARG 94 HA ARG 94 1.615 -3.855 1.004 749 1HB ARG 94 2HB ARG 94 0.958 -2.066 2.661 750 2HB ARG 94 3HB ARG 94 2.667 -1.686 2.813 751 1HG ARG 94 2HG ARG 94 2.793 -1.053 0.509 752 2HG ARG 94 3HG ARG 94 1.144 -1.611 0.219 753 1HD ARG 94 2HD ARG 94 0.324 0.356 0.854 754 2HD ARG 94 3HD ARG 94 1.159 0.239 2.401 755 HE ARG 94 HE ARG 94 3.123 1.032 0.734 756 1HH1 ARG 94 1HH1 ARG 94 -0.063 2.260 1.443 757 2HH1 ARG 94 2HH1 ARG 94 0.314 3.899 1.004 758 1HH2 ARG 94 1HH2 ARG 94 3.637 3.185 0.169 759 2HH2 ARG 94 2HH2 ARG 94 2.394 4.411 0.229 760 H ALA 95 H ALA 95 4.378 -3.430 3.208 761 HA ALA 95 HA ALA 95 6.256 -3.131 1.040 762 1HB ALA 95 1HB ALA 95 6.545 -2.117 3.323 763 2HB ALA 95 2HB ALA 95 6.890 -3.739 3.920 764 3HB ALA 95 3HB ALA 95 7.941 -3.002 2.711 765 H ALA 96 H ALA 96 5.129 -5.680 3.149 766 HA ALA 96 HA ALA 96 7.055 -7.625 2.666 767 1HB ALA 96 1HB ALA 96 5.142 -7.586 4.384 768 2HB ALA 96 2HB ALA 96 4.180 -8.333 3.107 769 3HB ALA 96 3HB ALA 96 5.631 -9.139 3.705 770 H LEU 97 H LEU 97 4.388 -6.599 0.665 771 HA LEU 97 HA LEU 97 4.298 -8.934 -0.968 772 1HB LEU 97 2HB LEU 97 3.146 -6.220 -1.117 773 2HB LEU 97 3HB LEU 97 3.422 -6.999 -2.672 774 HG LEU 97 HG LEU 97 1.120 -7.303 -1.701 775 1HD1 LEU 97 1HD1 LEU 97 2.050 -8.765 -3.441 776 2HD1 LEU 97 2HD1 LEU 97 2.709 -9.818 -2.188 777 3HD1 LEU 97 3HD1 LEU 97 0.964 -9.634 -2.356 778 1HD2 LEU 97 1HD2 LEU 97 2.437 -7.904 0.622 779 2HD2 LEU 97 2HD2 LEU 97 0.744 -8.270 0.281 780 3HD2 LEU 97 3HD2 LEU 97 1.983 -9.500 0.021 781 H ALA 98 H ALA 98 6.194 -5.980 -1.049 782 HA ALA 98 HA ALA 98 7.374 -6.536 -3.600 783 1HB ALA 98 1HB ALA 98 7.801 -4.536 -1.443 784 2HB ALA 98 2HB ALA 98 9.120 -4.825 -2.577 785 3HB ALA 98 3HB ALA 98 7.545 -4.301 -3.172 786 H GLY 99 H GLY 99 8.371 -6.923 -0.221 787 1HA GLY 99 1HA GLY 99 10.938 -7.968 -0.819 788 2HA GLY 99 2HA GLY 99 10.121 -8.056 0.732 789 H LYS 100 H LYS 100 8.005 -9.626 0.348 790 HA LYS 100 HA LYS 100 9.170 -12.151 0.415 791 1HB LYS 100 2HB LYS 100 7.166 -12.907 1.155 792 2HB LYS 100 3HB LYS 100 6.851 -11.187 1.322 793 1HG LYS 100 2HG LYS 100 4.999 -11.587 0.155 794 2HG LYS 100 3HG LYS 100 6.056 -11.696 -1.254 795 1HD LYS 100 2HD LYS 100 4.653 -13.636 -1.228 796 2HD LYS 100 3HD LYS 100 6.288 -14.142 -0.801 797 1HE LYS 100 2HE LYS 100 5.026 -13.477 1.615 798 2HE LYS 100 3HE LYS 100 3.844 -14.405 0.692 799 1HZ LYS 100 HZ1 LYS 100 5.598 -16.106 0.357 800 2HZ LYS 100 HZ2 LYS 100 6.603 -15.241 1.419 801 3HZ LYS 100 HZ3 LYS 100 5.145 -15.910 1.979 802 H THR 101 H THR 101 7.541 -10.516 -2.222 803 HA THR 101 HA THR 101 7.428 -12.794 -3.926 804 HB THR 101 HB THR 101 7.400 -9.882 -4.729 805 HG1 THR 101 HG1 THR 101 5.609 -9.877 -3.601 806 1HG2 THR 101 1HG2 THR 101 7.644 -11.755 -6.486 807 2HG2 THR 101 2HG2 THR 101 5.970 -12.143 -6.085 808 3HG2 THR 101 3HG2 THR 101 6.379 -10.547 -6.719 809 H LEU 102 H LEU 102 9.788 -10.240 -3.350 810 HA LEU 102 HA LEU 102 11.483 -10.846 -5.547 811 1HB LEU 102 2HB LEU 102 11.765 -9.317 -3.006 812 2HB LEU 102 3HB LEU 102 13.222 -9.750 -3.880 813 HG LEU 102 HG LEU 102 10.934 -8.083 -4.923 814 1HD1 LEU 102 1HD1 LEU 102 13.752 -7.452 -4.088 815 2HD1 LEU 102 2HD1 LEU 102 12.784 -6.373 -5.093 816 3HD1 LEU 102 3HD1 LEU 102 12.250 -6.776 -3.461 817 1HD2 LEU 102 1HD2 LEU 102 12.670 -9.716 -6.374 818 2HD2 LEU 102 2HD2 LEU 102 11.640 -8.427 -6.996 819 3HD2 LEU 102 3HD2 LEU 102 13.309 -8.081 -6.543 820 H ARG 103 H ARG 103 11.557 -11.835 -2.113 821 HA ARG 103 HA ARG 103 13.849 -13.495 -2.431 822 1HB ARG 103 2HB ARG 103 13.364 -14.361 -0.229 823 2HB ARG 103 3HB ARG 103 13.138 -12.619 -0.232 824 1HG ARG 103 2HG ARG 103 10.925 -12.768 0.163 825 2HG ARG 103 3HG ARG 103 10.747 -14.264 -0.754 826 1HD ARG 103 2HD ARG 103 11.736 -13.893 2.058 827 2HD ARG 103 3HD ARG 103 10.370 -14.853 1.493 828 HE ARG 103 HE ARG 103 12.855 -15.761 0.411 829 1HH1 ARG 103 1HH1 ARG 103 10.815 -15.884 3.258 830 2HH1 ARG 103 2HH1 ARG 103 11.439 -17.425 3.780 831 1HH2 ARG 103 1HH2 ARG 103 13.678 -17.786 1.110 832 2HH2 ARG 103 2HH2 ARG 103 13.052 -18.489 2.579 833 H GLU 104 H GLU 104 10.485 -13.902 -3.031 834 HA GLU 104 HA GLU 104 10.386 -16.743 -3.156 835 1HB GLU 104 2HB GLU 104 8.642 -14.485 -3.839 836 2HB GLU 104 3HB GLU 104 8.460 -15.868 -4.908 837 1HG GLU 104 2HG GLU 104 8.461 -17.017 -2.415 838 2HG GLU 104 3HG GLU 104 7.602 -15.499 -2.155 839 H TYR 105 H TYR 105 12.034 -14.524 -5.063 840 HA TYR 105 HA TYR 105 11.855 -16.260 -7.434 841 1HB TYR 105 HB2 TYR 105 12.680 -13.360 -7.213 842 2HB TYR 105 HB3 TYR 105 12.787 -14.308 -8.696 843 HD1 TYR 105 HD1 TYR 105 10.161 -15.876 -8.003 844 HD2 TYR 105 HD2 TYR 105 11.154 -11.747 -8.232 845 HE1 TYR 105 HE1 TYR 105 7.814 -15.347 -8.477 846 HE2 TYR 105 HE2 TYR 105 8.801 -11.207 -8.708 847 HH TYR 105 HH TYR 105 6.322 -13.213 -8.108 848 H GLY 106 H GLY 106 13.849 -15.431 -4.856 849 1HA GLY 106 1HA GLY 106 15.727 -16.990 -4.611 850 2HA GLY 106 2HA GLY 106 16.122 -16.658 -6.288 851 H PHE 107 H PHE 107 15.161 -13.947 -4.403 852 HA PHE 107 HA PHE 107 17.695 -12.687 -4.683 853 1HB PHE 107 2HB PHE 107 15.083 -12.007 -3.472 854 2HB PHE 107 3HB PHE 107 16.482 -11.198 -2.771 855 HD1 PHE 107 HD1 PHE 107 15.054 -12.002 -6.125 856 HD2 PHE 107 HD2 PHE 107 17.143 -9.202 -3.695 857 HE1 PHE 107 HE1 PHE 107 15.054 -10.389 -7.988 858 HE2 PHE 107 HE2 PHE 107 17.143 -7.586 -5.552 859 HZ PHE 107 HZ PHE 107 16.102 -8.181 -7.703 860 H LYS 108 H LYS 108 19.329 -12.427 -3.236 861 HA LYS 108 HA LYS 108 19.837 -14.570 -1.564 862 1HB LYS 108 2HB LYS 108 21.173 -11.888 -1.831 863 2HB LYS 108 3HB LYS 108 21.788 -13.136 -0.754 864 1HG LYS 108 2HG LYS 108 21.576 -14.581 -2.986 865 2HG LYS 108 3HG LYS 108 21.819 -12.988 -3.703 866 1HD LYS 108 2HD LYS 108 23.969 -13.968 -3.449 867 2HD LYS 108 3HD LYS 108 23.818 -12.730 -2.201 868 1HE LYS 108 2HE LYS 108 24.701 -14.503 -1.012 869 2HE LYS 108 3HE LYS 108 22.972 -14.694 -0.725 870 1HZ LYS 108 HZ1 LYS 108 23.226 -16.170 -2.897 871 2HZ LYS 108 HZ2 LYS 108 24.793 -16.352 -2.286 872 3HZ LYS 108 HZ3 LYS 108 23.461 -16.798 -1.340 873 H THR 109 H THR 109 20.168 -11.354 -0.183 874 HA THR 109 HA THR 109 18.774 -12.342 2.209 875 HB THR 109 HB THR 109 20.550 -9.997 2.458 876 HG1 THR 109 HG1 THR 109 21.544 -12.622 1.891 877 1HG2 THR 109 1HG2 THR 109 19.635 -12.303 4.048 878 2HG2 THR 109 2HG2 THR 109 21.294 -11.793 4.352 879 3HG2 THR 109 3HG2 THR 109 19.968 -10.644 4.548 880 H ILE 110 H ILE 110 16.786 -11.537 2.294 881 HA ILE 110 HA ILE 110 16.377 -8.758 1.432 882 HB ILE 110 HB ILE 110 15.240 -10.549 0.096 883 1HG1 ILE 110 2HG1 ILE 110 12.950 -9.077 1.143 884 2HG1 ILE 110 3HG1 ILE 110 14.354 -8.051 0.858 885 1HG2 ILE 110 1HG2 ILE 110 14.373 -11.406 2.668 886 2HG2 ILE 110 2HG2 ILE 110 12.960 -10.982 1.699 887 3HG2 ILE 110 3HG2 ILE 110 14.120 -12.168 1.097 888 1HD1 ILE 110 1HD1 ILE 110 13.233 -9.945 -1.188 889 2HD1 ILE 110 2HD1 ILE 110 12.773 -8.246 -1.058 890 3HD1 ILE 110 3HD1 ILE 110 14.443 -8.680 -1.430 891 H TYR 111 H TYR 111 15.676 -7.300 2.857 892 HA TYR 111 HA TYR 111 14.851 -8.287 5.504 893 1HB TYR 111 HB2 TYR 111 15.990 -5.553 4.908 894 2HB TYR 111 HB3 TYR 111 15.839 -6.346 6.471 895 HD1 TYR 111 HD1 TYR 111 17.742 -6.316 3.295 896 HD2 TYR 111 HD2 TYR 111 17.527 -7.818 7.274 897 HE1 TYR 111 HE1 TYR 111 20.055 -7.132 3.107 898 HE2 TYR 111 HE2 TYR 111 19.837 -8.640 7.093 899 HH TYR 111 HH TYR 111 21.706 -8.653 5.861 900 H ASN 112 H ASN 112 13.031 -7.498 6.457 901 HA ASN 112 HA ASN 112 11.453 -5.539 4.914 902 1HB ASN 112 2HB ASN 112 10.711 -8.146 5.959 903 2HB ASN 112 3HB ASN 112 9.700 -6.884 6.654 904 1HD2 ASN 112 1HD2 ASN 112 8.090 -6.047 5.451 905 2HD2 ASN 112 2HD2 ASN 112 7.808 -6.426 3.788 906 H SER 113 H SER 113 10.516 -3.848 6.101 907 HA SER 113 HA SER 113 11.989 -3.223 8.464 908 1HB SER 113 2HB SER 113 11.007 -1.705 6.479 909 2HB SER 113 3HB SER 113 9.720 -1.486 7.666 910 HG SER 113 HG SER 113 12.490 -1.048 8.120 911 H GLU 114 H GLU 114 11.445 -3.342 10.504 912 HA GLU 114 HA GLU 114 8.699 -4.116 11.249 913 1HB GLU 114 2HB GLU 114 11.209 -4.955 12.211 914 2HB GLU 114 3HB GLU 114 10.527 -3.955 13.482 915 1HG GLU 114 2HG GLU 114 9.719 -6.611 12.514 916 2HG GLU 114 3HG GLU 114 9.647 -5.920 14.130 917 H GLY 115 H GLY 115 9.918 -1.449 10.438 918 1HA GLY 115 1HA GLY 115 8.818 0.068 12.711 919 2HA GLY 115 2HA GLY 115 10.285 0.590 11.891 920 H GLY 116 H GLY 116 10.036 0.887 9.475 921 1HA GLY 116 1HA GLY 116 8.443 1.305 7.671 922 2HA GLY 116 2HA GLY 116 7.362 1.979 8.881 923 H MET 117 H MET 117 7.667 3.575 6.877 924 HA MET 117 HA MET 117 9.928 5.181 6.677 925 1HB MET 117 2HB MET 117 7.753 5.052 5.230 926 2HB MET 117 3HB MET 117 7.194 6.340 6.289 927 1HG MET 117 2HG MET 117 9.869 6.694 5.113 928 2HG MET 117 3HG MET 117 8.508 6.756 3.995 929 1HE MET 117 1HE MET 117 10.850 8.453 5.487 930 2HE MET 117 2HE MET 117 10.281 10.120 5.454 931 3HE MET 117 3HE MET 117 10.260 9.214 6.965 932 H ASP 118 H ASP 118 7.156 5.438 8.838 933 HA ASP 118 HA ASP 118 7.763 7.965 9.914 934 1HB ASP 118 2HB ASP 118 6.205 7.432 11.674 935 2HB ASP 118 3HB ASP 118 5.566 6.790 10.166 936 H LYS 119 H LYS 119 9.036 4.773 10.530 937 HA LYS 119 HA LYS 119 10.331 5.474 12.983 938 1HB LYS 119 2HB LYS 119 10.007 3.102 11.338 939 2HB LYS 119 3HB LYS 119 11.656 3.268 11.936 940 1HG LYS 119 2HG LYS 119 10.138 1.934 13.400 941 2HG LYS 119 3HG LYS 119 10.919 3.300 14.199 942 1HD LYS 119 2HD LYS 119 8.947 4.551 14.251 943 2HD LYS 119 3HD LYS 119 8.188 3.580 12.986 944 1HE LYS 119 2HE LYS 119 7.129 2.959 15.004 945 2HE LYS 119 3HE LYS 119 8.247 1.650 14.627 946 1HZ LYS 119 HZ1 LYS 119 9.084 3.855 16.408 947 2HZ LYS 119 HZ2 LYS 119 8.161 2.561 17.013 948 3HZ LYS 119 HZ3 LYS 119 9.675 2.265 16.316 949 H TRP 120 H TRP 120 11.149 5.548 9.581 950 HA TRP 120 HA TRP 120 13.938 5.816 9.775 951 1HB TRP 120 HB2 TRP 120 12.456 5.573 7.669 952 2HB TRP 120 HB3 TRP 120 12.278 7.321 7.758 953 HD1 TRP 120 HD1 TRP 120 14.273 8.785 6.956 954 HE1 TRP 120 HE1 TRP 120 16.513 8.293 5.790 955 HE3 TRP 120 HE3 TRP 120 14.352 3.704 7.485 956 HZ2 TRP 120 HZ2 TRP 120 18.089 6.043 5.158 957 HZ3 TRP 120 HZ3 TRP 120 16.257 2.457 6.560 958 HH2 TRP 120 HH2 TRP 120 18.085 3.602 5.418 959 H LEU 121 H LEU 121 11.398 8.329 9.642 960 HA LEU 121 HA LEU 121 13.080 10.521 10.231 961 1HB LEU 121 2HB LEU 121 10.122 10.036 10.558 962 2HB LEU 121 3HB LEU 121 10.871 11.558 10.994 963 HG LEU 121 HG LEU 121 11.021 10.409 8.200 964 1HD1 LEU 121 1HD1 LEU 121 8.810 11.683 9.593 965 2HD1 LEU 121 2HD1 LEU 121 9.287 12.531 8.123 966 3HD1 LEU 121 3HD1 LEU 121 8.842 10.825 8.052 967 1HD2 LEU 121 1HD2 LEU 121 11.563 13.120 9.397 968 2HD2 LEU 121 2HD2 LEU 121 12.721 12.037 8.628 969 3HD2 LEU 121 3HD2 LEU 121 11.462 12.810 7.666 970 H GLU 122 H GLU 122 11.271 8.246 12.205 971 HA GLU 122 HA GLU 122 11.449 9.517 14.690 972 1HB GLU 122 2HB GLU 122 10.033 7.527 14.072 973 2HB GLU 122 3HB GLU 122 11.477 6.538 14.220 974 1HG GLU 122 2HG GLU 122 11.568 6.772 16.504 975 2HG GLU 122 3HG GLU 122 10.638 8.271 16.492 976 H GLU 123 H GLU 123 13.695 7.303 13.080 977 HA GLU 123 HA GLU 123 15.423 7.188 15.375 978 1HB GLU 123 2HB GLU 123 15.784 6.190 12.545 979 2HB GLU 123 3HB GLU 123 16.901 5.872 13.865 980 1HG GLU 123 2HG GLU 123 14.002 5.090 13.959 981 2HG GLU 123 3HG GLU 123 15.264 4.036 13.321 982 H GLY 124 H GLY 124 14.896 9.540 13.134 983 1HA GLY 124 1HA GLY 124 16.048 11.472 12.634 984 2HA GLY 124 2HA GLY 124 17.251 10.995 13.825 985 H LEU 125 H LEU 125 16.292 9.017 11.126 986 HA LEU 125 HA LEU 125 19.017 8.782 10.269 987 1HB LEU 125 2HB LEU 125 16.453 7.672 9.118 988 2HB LEU 125 3HB LEU 125 18.062 7.246 8.565 989 HG LEU 125 HG LEU 125 17.092 6.769 11.381 990 1HD1 LEU 125 1HD1 LEU 125 16.521 5.335 8.938 991 2HD1 LEU 125 2HD1 LEU 125 17.359 4.328 10.118 992 3HD1 LEU 125 3HD1 LEU 125 15.851 5.129 10.557 993 1HD2 LEU 125 1HD2 LEU 125 19.631 6.885 10.543 994 2HD2 LEU 125 2HD2 LEU 125 19.083 5.778 11.800 995 3HD2 LEU 125 3HD2 LEU 125 19.273 5.206 10.143 996 HA PRO 126 HA PRO 126 19.278 11.698 6.945 997 1HB PRO 126 2HB PRO 126 19.980 10.132 4.799 998 2HB PRO 126 3HB PRO 126 21.118 10.661 6.045 999 1HG PRO 126 2HG PRO 126 19.620 8.063 5.823 1000 2HG PRO 126 3HG PRO 126 21.343 8.333 6.186 1001 1HD PRO 126 2HD PRO 126 19.650 7.819 8.157 1002 2HD PRO 126 3HD PRO 126 20.885 9.081 8.365 1003 H SER 127 H SER 127 17.357 12.544 6.298 1004 HA SER 127 HA SER 127 15.688 10.870 4.561 1005 1HB SER 127 2HB SER 127 14.697 13.079 6.371 1006 2HB SER 127 3HB SER 127 13.728 11.907 5.477 1007 HG SER 127 HG SER 127 15.571 11.238 7.541 1008 H LEU 128 H LEU 128 14.647 11.928 2.844 1009 HA LEU 128 HA LEU 128 16.057 14.324 1.933 1010 1HB LEU 128 2HB LEU 128 15.090 11.927 0.681 1011 2HB LEU 128 3HB LEU 128 14.316 13.315 -0.057 1012 HG LEU 128 HG LEU 128 17.299 12.952 0.201 1013 1HD1 LEU 128 1HD1 LEU 128 16.072 11.335 -1.310 1014 2HD1 LEU 128 2HD1 LEU 128 15.641 12.729 -2.296 1015 3HD1 LEU 128 3HD1 LEU 128 17.337 12.303 -2.066 1016 1HD2 LEU 128 1HD2 LEU 128 16.476 15.302 0.129 1017 2HD2 LEU 128 2HD2 LEU 128 17.483 14.854 -1.247 1018 3HD2 LEU 128 3HD2 LEU 128 15.730 14.948 -1.430 1019 H ASP 129 H ASP 129 15.039 16.028 2.759 1020 HA ASP 129 HA ASP 129 12.164 16.326 2.201 1021 1HB ASP 129 2HB ASP 129 12.581 16.122 4.629 1022 2HB ASP 129 3HB ASP 129 13.728 17.449 4.540 1023 H ARG 130 H ARG 130 11.540 18.328 1.356 1024 HA ARG 130 HA ARG 130 13.333 19.649 -0.302 1025 1HB ARG 130 2HB ARG 130 11.179 20.002 -0.978 1026 2HB ARG 130 3HB ARG 130 10.569 20.101 0.664 1027 1HG ARG 130 2HG ARG 130 11.975 22.382 0.563 1028 2HG ARG 130 3HG ARG 130 11.524 22.219 -1.135 1029 1HD ARG 130 2HD ARG 130 9.257 22.328 -0.680 1030 2HD ARG 130 3HD ARG 130 9.467 21.821 0.996 1031 HE ARG 130 HE ARG 130 10.063 24.008 1.575 1032 1HH1 ARG 130 1HH1 ARG 130 9.260 23.672 -1.809 1033 2HH1 ARG 130 2HH1 ARG 130 9.147 25.380 -2.099 1034 1HH2 ARG 130 1HH2 ARG 130 9.907 26.270 1.226 1035 2HH2 ARG 130 2HH2 ARG 130 9.526 26.865 -0.368 1036 H SER 131 H SER 131 15.116 20.516 0.480 1037 HA SER 131 HA SER 131 15.276 21.557 3.088 1038 1HB SER 131 2HB SER 131 17.494 22.134 1.236 1039 2HB SER 131 3HB SER 131 17.501 21.302 2.795 1040 HG SER 131 HG SER 131 16.469 19.514 1.637 1041 H HIS 132 H HIS 132 15.137 23.517 3.860 1042 HA HIS 132 HA HIS 132 14.485 25.726 2.122 1043 1HB HIS 132 2HB HIS 132 13.277 25.558 4.205 1044 2HB HIS 132 3HB HIS 132 14.773 25.494 5.127 1045 HD1 HIS 132 HD1 HIS 132 13.406 27.990 2.582 1046 HD2 HIS 132 HD2 HIS 132 15.088 27.851 6.382 1047 HE1 HIS 132 HE1 HIS 132 13.583 30.382 3.332 1048 HE2 HIS 132 HE2 HIS 132 14.838 30.274 5.512 1049 H HIS 133 H HIS 133 16.414 25.910 0.936 1050 HA HIS 133 HA HIS 133 18.394 27.612 2.173 1051 1HB HIS 133 2HB HIS 133 18.882 24.807 1.943 1052 2HB HIS 133 3HB HIS 133 19.898 25.629 0.765 1053 HD1 HIS 133 HD1 HIS 133 21.983 24.931 2.172 1054 HD2 HIS 133 HD2 HIS 133 19.334 27.475 4.128 1055 HE1 HIS 133 HE1 HIS 133 23.242 25.829 4.157 1056 HE2 HIS 133 HE2 HIS 133 21.685 27.516 5.203 1057 H HIS 134 H HIS 134 20.063 28.240 0.422 1058 HA HIS 134 HA HIS 134 18.611 28.809 -2.028 1059 1HB HIS 134 2HB HIS 134 21.367 29.594 -1.053 1060 2HB HIS 134 3HB HIS 134 20.762 30.012 -2.650 1061 HD1 HIS 134 HD1 HIS 134 18.926 31.848 -2.785 1062 HD2 HIS 134 HD2 HIS 134 20.307 31.070 1.064 1063 HE1 HIS 134 HE1 HIS 134 18.080 33.745 -1.361 1064 HE2 HIS 134 HE2 HIS 134 19.017 33.308 0.941 1065 H HIS 135 H HIS 135 18.507 26.390 -2.279 1066 HA HIS 135 HA HIS 135 20.854 25.405 -3.763 1067 1HB HIS 135 2HB HIS 135 20.774 24.436 -1.490 1068 2HB HIS 135 3HB HIS 135 19.142 23.857 -1.800 1069 HD1 HIS 135 HD1 HIS 135 22.609 23.418 -3.325 1070 HD2 HIS 135 HD2 HIS 135 19.089 21.303 -2.655 1071 HE1 HIS 135 HE1 HIS 135 23.067 21.066 -4.094 1072 HE2 HIS 135 HE2 HIS 135 20.951 19.781 -3.614 1073 H HIS 136 H HIS 136 20.248 25.156 -5.813 1074 HA HIS 136 HA HIS 136 17.495 24.486 -6.452 1075 1HB HIS 136 2HB HIS 136 18.048 24.863 -8.754 1076 2HB HIS 136 3HB HIS 136 18.740 26.168 -7.812 1077 HD1 HIS 136 HD1 HIS 136 20.113 26.371 -10.172 1078 HD2 HIS 136 HD2 HIS 136 21.120 23.205 -7.666 1079 HE1 HIS 136 HE1 HIS 136 22.375 25.582 -10.942 1080 HE2 HIS 136 HE2 HIS 136 22.875 23.555 -9.532 1081 H HIS 137 H HIS 137 17.200 22.761 -8.222 1082 HA HIS 137 HA HIS 137 18.573 20.352 -7.284 1083 1HB HIS 137 2HB HIS 137 15.992 20.593 -7.457 1084 2HB HIS 137 3HB HIS 137 16.242 20.373 -9.186 1085 HD1 HIS 137 HD1 HIS 137 16.081 18.042 -9.933 1086 HD2 HIS 137 HD2 HIS 137 17.257 18.306 -5.954 1087 HE1 HIS 137 HE1 HIS 137 16.266 15.670 -9.123 1088 HE2 HIS 137 HE2 HIS 137 16.789 15.858 -6.664 1089 1H ALA 1 H1 ALA 1 25.107 -9.327 -14.048 1090 2H ALA 1 H2 ALA 1 24.429 -9.160 -12.505 1091 3H ALA 1 H3 ALA 1 25.485 -10.446 -12.832 1092 HA ALA 1 HA ALA 1 23.820 -11.146 -14.592 1093 1HB ALA 1 1HB ALA 1 24.205 -11.898 -11.999 1094 2HB ALA 1 2HB ALA 1 22.482 -11.524 -12.018 1095 3HB ALA 1 3HB ALA 1 23.138 -12.714 -13.143 1096 H ASP 2 H ASP 2 22.612 -9.739 -15.788 1097 HA ASP 2 HA ASP 2 20.695 -8.000 -14.479 1098 1HB ASP 2 2HB ASP 2 21.649 -8.347 -17.290 1099 2HB ASP 2 3HB ASP 2 20.126 -7.519 -16.975 1100 H MET 3 H MET 3 19.521 -9.790 -13.537 1101 HA MET 3 HA MET 3 18.001 -11.445 -15.382 1102 1HB MET 3 2HB MET 3 19.004 -11.768 -12.756 1103 2HB MET 3 3HB MET 3 17.251 -11.854 -12.648 1104 1HG MET 3 2HG MET 3 17.135 -13.697 -14.070 1105 2HG MET 3 3HG MET 3 18.763 -13.434 -14.690 1106 1HE MET 3 1HE MET 3 20.727 -14.005 -13.858 1107 2HE MET 3 2HE MET 3 20.949 -13.649 -12.144 1108 3HE MET 3 3HE MET 3 21.037 -15.313 -12.719 1109 H GLY 4 H GLY 4 17.550 -8.485 -14.872 1110 1HA GLY 4 1HA GLY 4 15.175 -7.999 -13.511 1111 2HA GLY 4 2HA GLY 4 15.734 -7.063 -14.889 1112 H GLU 5 H GLU 5 15.673 -9.246 -16.715 1113 HA GLU 5 HA GLU 5 13.030 -9.129 -17.704 1114 1HB GLU 5 2HB GLU 5 13.888 -11.181 -19.078 1115 2HB GLU 5 3HB GLU 5 14.586 -9.590 -19.351 1116 1HG GLU 5 2HG GLU 5 16.611 -10.292 -18.769 1117 2HG GLU 5 3HG GLU 5 16.006 -11.006 -17.275 1118 H LYS 6 H LYS 6 14.652 -11.369 -15.597 1119 HA LYS 6 HA LYS 6 12.794 -13.486 -15.877 1120 1HB LYS 6 2HB LYS 6 15.045 -12.902 -14.010 1121 2HB LYS 6 3HB LYS 6 13.916 -14.187 -13.598 1122 1HG LYS 6 2HG LYS 6 15.541 -13.997 -16.128 1123 2HG LYS 6 3HG LYS 6 15.850 -15.075 -14.764 1124 1HD LYS 6 2HD LYS 6 13.129 -15.289 -15.778 1125 2HD LYS 6 3HD LYS 6 14.345 -15.667 -17.000 1126 1HE LYS 6 2HE LYS 6 15.339 -17.325 -15.572 1127 2HE LYS 6 3HE LYS 6 14.275 -16.875 -14.240 1128 1HZ LYS 6 HZ1 LYS 6 12.402 -17.520 -15.823 1129 2HZ LYS 6 HZ2 LYS 6 13.601 -18.287 -16.745 1130 3HZ LYS 6 HZ3 LYS 6 13.319 -18.773 -15.146 1131 H PHE 7 H PHE 7 13.310 -11.288 -13.067 1132 HA PHE 7 HA PHE 7 10.943 -12.311 -11.850 1133 1HB PHE 7 2HB PHE 7 11.274 -10.279 -10.265 1134 2HB PHE 7 3HB PHE 7 12.403 -11.621 -10.216 1135 HD1 PHE 7 HD1 PHE 7 11.923 -8.211 -11.588 1136 HD2 PHE 7 HD2 PHE 7 14.684 -11.248 -10.470 1137 HE1 PHE 7 HE1 PHE 7 13.775 -6.617 -11.846 1138 HE2 PHE 7 HE2 PHE 7 16.542 -9.654 -10.717 1139 HZ PHE 7 HZ PHE 7 16.087 -7.335 -11.409 1140 H ASP 8 H ASP 8 11.574 -9.688 -13.987 1141 HA ASP 8 HA ASP 8 9.431 -7.984 -13.506 1142 1HB ASP 8 2HB ASP 8 11.005 -7.254 -15.108 1143 2HB ASP 8 3HB ASP 8 10.889 -8.745 -16.033 1144 H ALA 9 H ALA 9 9.501 -10.805 -15.709 1145 HA ALA 9 HA ALA 9 6.770 -10.631 -16.391 1146 1HB ALA 9 1HB ALA 9 8.462 -11.799 -17.752 1147 2HB ALA 9 2HB ALA 9 8.560 -13.050 -16.513 1148 3HB ALA 9 3HB ALA 9 7.056 -12.805 -17.400 1149 H THR 10 H THR 10 8.493 -12.621 -13.997 1150 HA THR 10 HA THR 10 6.256 -14.157 -13.282 1151 HB THR 10 HB THR 10 8.419 -13.680 -11.282 1152 HG1 THR 10 HG1 THR 10 9.792 -13.928 -12.935 1153 1HG2 THR 10 1HG2 THR 10 6.380 -15.454 -11.415 1154 2HG2 THR 10 2HG2 THR 10 7.653 -16.376 -12.214 1155 3HG2 THR 10 3HG2 THR 10 7.898 -15.770 -10.578 1156 H PHE 11 H PHE 11 7.578 -11.177 -11.822 1157 HA PHE 11 HA PHE 11 6.025 -11.047 -9.547 1158 1HB PHE 11 2HB PHE 11 7.845 -9.395 -10.669 1159 2HB PHE 11 3HB PHE 11 6.377 -8.492 -11.014 1160 HD1 PHE 11 HD1 PHE 11 4.709 -8.537 -8.826 1161 HD2 PHE 11 HD2 PHE 11 8.958 -8.694 -8.801 1162 HE1 PHE 11 HE1 PHE 11 4.721 -7.621 -6.546 1163 HE2 PHE 11 HE2 PHE 11 8.981 -7.778 -6.517 1164 HZ PHE 11 HZ PHE 11 6.860 -7.237 -5.388 1165 H LYS 12 H LYS 12 5.232 -9.975 -12.796 1166 HA LYS 12 HA LYS 12 2.652 -8.951 -12.214 1167 1HB LYS 12 2HB LYS 12 3.894 -8.285 -14.208 1168 2HB LYS 12 3HB LYS 12 3.837 -9.932 -14.815 1169 1HG LYS 12 2HG LYS 12 2.217 -8.418 -15.905 1170 2HG LYS 12 3HG LYS 12 1.458 -9.802 -15.116 1171 1HD LYS 12 2HD LYS 12 0.324 -8.503 -13.688 1172 2HD LYS 12 3HD LYS 12 1.723 -7.478 -13.373 1173 1HE LYS 12 2HE LYS 12 0.845 -6.990 -16.029 1174 2HE LYS 12 3HE LYS 12 -0.559 -6.919 -14.966 1175 1HZ LYS 12 HZ1 LYS 12 1.646 -5.560 -13.804 1176 2HZ LYS 12 HZ2 LYS 12 1.337 -4.957 -15.359 1177 3HZ LYS 12 HZ3 LYS 12 0.105 -4.966 -14.194 1178 H ALA 13 H ALA 13 3.874 -12.144 -12.714 1179 HA ALA 13 HA ALA 13 1.366 -13.357 -13.417 1180 1HB ALA 13 1HB ALA 13 4.087 -14.326 -12.727 1181 2HB ALA 13 2HB ALA 13 2.737 -15.444 -12.535 1182 3HB ALA 13 3HB ALA 13 3.062 -14.716 -14.108 1183 H GLN 14 H GLN 14 3.323 -13.137 -10.449 1184 HA GLN 14 HA GLN 14 1.458 -14.530 -8.833 1185 1HB GLN 14 2HB GLN 14 3.706 -12.637 -8.149 1186 2HB GLN 14 3HB GLN 14 2.761 -13.487 -6.935 1187 1HG GLN 14 2HG GLN 14 3.450 -15.592 -8.357 1188 2HG GLN 14 3HG GLN 14 4.768 -14.533 -8.857 1189 1HE2 GLN 14 1HE2 GLN 14 3.302 -16.228 -6.197 1190 2HE2 GLN 14 2HE2 GLN 14 4.646 -16.093 -5.109 1191 H VAL 15 H VAL 15 2.186 -11.077 -9.146 1192 HA VAL 15 HA VAL 15 0.258 -10.125 -7.396 1193 HB VAL 15 HB VAL 15 2.009 -8.989 -9.375 1194 1HG1 VAL 15 1HG1 VAL 15 -0.195 -8.493 -10.511 1195 2HG1 VAL 15 2HG1 VAL 15 -0.570 -7.464 -9.128 1196 3HG1 VAL 15 3HG1 VAL 15 0.824 -7.098 -10.145 1197 1HG2 VAL 15 1HG2 VAL 15 1.851 -8.726 -6.814 1198 2HG2 VAL 15 2HG2 VAL 15 2.295 -7.320 -7.783 1199 3HG2 VAL 15 3HG2 VAL 15 0.650 -7.483 -7.170 1200 H LYS 16 H LYS 16 -0.103 -11.131 -10.743 1201 HA LYS 16 HA LYS 16 -2.748 -10.160 -11.142 1202 1HB LYS 16 2HB LYS 16 -0.861 -11.893 -12.546 1203 2HB LYS 16 3HB LYS 16 -2.530 -12.410 -12.730 1204 1HG LYS 16 2HG LYS 16 -3.150 -10.277 -13.641 1205 2HG LYS 16 3HG LYS 16 -1.540 -9.629 -13.316 1206 1HD LYS 16 2HD LYS 16 -1.897 -10.288 -15.694 1207 2HD LYS 16 3HD LYS 16 -0.548 -11.118 -14.916 1208 1HE LYS 16 2HE LYS 16 -2.402 -12.908 -14.382 1209 2HE LYS 16 3HE LYS 16 -3.196 -12.176 -15.773 1210 1HZ LYS 16 HZ1 LYS 16 -1.170 -12.609 -17.070 1211 2HZ LYS 16 HZ2 LYS 16 -0.482 -13.396 -15.735 1212 3HZ LYS 16 HZ3 LYS 16 -1.864 -14.034 -16.474 1213 H ALA 17 H ALA 17 -1.410 -13.184 -9.917 1214 HA ALA 17 HA ALA 17 -3.766 -14.691 -9.856 1215 1HB ALA 17 1HB ALA 17 -1.068 -14.948 -8.873 1216 2HB ALA 17 2HB ALA 17 -2.233 -15.586 -7.712 1217 3HB ALA 17 3HB ALA 17 -2.212 -16.198 -9.366 1218 H ALA 18 H ALA 18 -2.599 -12.220 -7.714 1219 HA ALA 18 HA ALA 18 -4.285 -12.879 -5.497 1220 1HB ALA 18 1HB ALA 18 -2.120 -11.434 -5.570 1221 2HB ALA 18 2HB ALA 18 -3.235 -10.124 -5.964 1222 3HB ALA 18 3HB ALA 18 -3.419 -11.014 -4.451 1223 H LYS 19 H LYS 19 -4.594 -10.869 -8.365 1224 HA LYS 19 HA LYS 19 -7.089 -9.662 -7.575 1225 1HB LYS 19 2HB LYS 19 -6.163 -9.889 -10.413 1226 2HB LYS 19 3HB LYS 19 -7.066 -8.595 -9.644 1227 1HG LYS 19 2HG LYS 19 -5.189 -7.604 -8.788 1228 2HG LYS 19 3HG LYS 19 -4.265 -9.110 -8.778 1229 1HD LYS 19 2HD LYS 19 -3.304 -7.938 -10.539 1230 2HD LYS 19 3HD LYS 19 -4.477 -8.970 -11.360 1231 1HE LYS 19 2HE LYS 19 -5.467 -6.333 -10.485 1232 2HE LYS 19 3HE LYS 19 -4.256 -6.311 -11.765 1233 1HZ LYS 19 HZ1 LYS 19 -6.808 -7.831 -11.833 1234 2HZ LYS 19 HZ2 LYS 19 -6.502 -6.395 -12.672 1235 3HZ LYS 19 HZ3 LYS 19 -5.647 -7.805 -13.063 1236 H ALA 20 H ALA 20 -6.040 -12.587 -8.929 1237 HA ALA 20 HA ALA 20 -8.300 -13.209 -10.534 1238 1HB ALA 20 1HB ALA 20 -5.801 -14.475 -9.824 1239 2HB ALA 20 2HB ALA 20 -7.130 -15.635 -9.882 1240 3HB ALA 20 3HB ALA 20 -6.771 -14.633 -11.289 1241 H ASP 21 H ASP 21 -7.750 -13.408 -7.151 1242 HA ASP 21 HA ASP 21 -9.748 -15.484 -6.766 1243 1HB ASP 21 2HB ASP 21 -7.493 -14.869 -5.379 1244 2HB ASP 21 3HB ASP 21 -8.719 -14.076 -4.392 1245 H MET 22 H MET 22 -9.948 -12.249 -7.311 1246 HA MET 22 HA MET 22 -12.337 -12.005 -5.609 1247 1HB MET 22 2HB MET 22 -10.055 -10.248 -5.990 1248 2HB MET 22 3HB MET 22 -11.573 -9.429 -6.335 1249 1HG MET 22 2HG MET 22 -11.142 -9.041 -4.073 1250 2HG MET 22 3HG MET 22 -12.388 -10.286 -4.111 1251 1HE MET 22 1HE MET 22 -8.593 -9.635 -3.968 1252 2HE MET 22 2HE MET 22 -7.936 -11.116 -3.274 1253 3HE MET 22 3HE MET 22 -8.560 -11.115 -4.923 1254 H VAL 23 H VAL 23 -13.952 -10.448 -6.477 1255 HA VAL 23 HA VAL 23 -14.421 -10.903 -9.313 1256 HB VAL 23 HB VAL 23 -16.071 -9.182 -7.452 1257 1HG1 VAL 23 1HG1 VAL 23 -16.260 -9.967 -10.226 1258 2HG1 VAL 23 2HG1 VAL 23 -17.694 -10.453 -9.321 1259 3HG1 VAL 23 3HG1 VAL 23 -17.187 -8.763 -9.331 1260 1HG2 VAL 23 1HG2 VAL 23 -16.344 -12.143 -7.969 1261 2HG2 VAL 23 2HG2 VAL 23 -15.896 -11.382 -6.443 1262 3HG2 VAL 23 3HG2 VAL 23 -17.513 -11.146 -7.104 1263 H MET 24 H MET 24 -13.094 -9.685 -10.558 1264 HA MET 24 HA MET 24 -12.198 -7.117 -9.682 1265 1HB MET 24 2HB MET 24 -11.785 -8.688 -12.219 1266 2HB MET 24 3HB MET 24 -11.096 -7.087 -11.972 1267 1HG MET 24 2HG MET 24 -10.463 -8.621 -9.693 1268 2HG MET 24 3HG MET 24 -10.123 -9.619 -11.105 1269 1HE MET 24 1HE MET 24 -9.094 -6.830 -8.833 1270 2HE MET 24 2HE MET 24 -7.911 -5.871 -9.723 1271 3HE MET 24 3HE MET 24 -9.628 -5.709 -10.086 1272 H LEU 25 H LEU 25 -13.535 -5.477 -9.683 1273 HA LEU 25 HA LEU 25 -15.188 -4.992 -12.070 1274 1HB LEU 25 2HB LEU 25 -15.872 -5.005 -9.182 1275 2HB LEU 25 3HB LEU 25 -16.600 -3.748 -10.159 1276 HG LEU 25 HG LEU 25 -16.963 -6.721 -10.376 1277 1HD1 LEU 25 1HD1 LEU 25 -18.389 -4.647 -9.157 1278 2HD1 LEU 25 2HD1 LEU 25 -19.307 -5.080 -10.602 1279 3HD1 LEU 25 3HD1 LEU 25 -18.912 -6.313 -9.404 1280 1HD2 LEU 25 1HD2 LEU 25 -17.067 -4.716 -12.512 1281 2HD2 LEU 25 2HD2 LEU 25 -16.970 -6.475 -12.607 1282 3HD2 LEU 25 3HD2 LEU 25 -18.530 -5.691 -12.355 1283 H SER 26 H SER 26 -15.310 -2.925 -12.795 1284 HA SER 26 HA SER 26 -13.228 -1.118 -12.020 1285 1HB SER 26 2HB SER 26 -15.225 0.085 -13.715 1286 2HB SER 26 3HB SER 26 -13.566 -0.370 -14.110 1287 HG SER 26 HG SER 26 -14.289 -2.077 -15.094 1288 HA PRO 27 HA PRO 27 -14.982 1.390 -8.886 1289 1HB PRO 27 2HB PRO 27 -14.722 3.908 -10.145 1290 2HB PRO 27 3HB PRO 27 -13.577 3.140 -9.044 1291 1HG PRO 27 2HG PRO 27 -13.609 3.184 -12.021 1292 2HG PRO 27 3HG PRO 27 -12.228 3.211 -10.908 1293 1HD PRO 27 2HD PRO 27 -12.829 0.983 -12.214 1294 2HD PRO 27 3HD PRO 27 -12.363 0.905 -10.505 1295 H LYS 28 H LYS 28 -16.220 2.012 -12.176 1296 HA LYS 28 HA LYS 28 -18.547 3.402 -11.237 1297 1HB LYS 28 2HB LYS 28 -18.584 2.072 -13.889 1298 2HB LYS 28 3HB LYS 28 -19.102 3.687 -13.435 1299 1HG LYS 28 2HG LYS 28 -16.583 4.172 -13.164 1300 2HG LYS 28 3HG LYS 28 -16.366 2.709 -14.130 1301 1HD LYS 28 2HD LYS 28 -18.319 4.707 -15.116 1302 2HD LYS 28 3HD LYS 28 -16.612 5.138 -15.216 1303 1HE LYS 28 2HE LYS 28 -17.660 2.513 -16.234 1304 2HE LYS 28 3HE LYS 28 -17.655 3.967 -17.229 1305 1HZ LYS 28 HZ1 LYS 28 -15.114 3.722 -16.103 1306 2HZ LYS 28 HZ2 LYS 28 -15.535 2.190 -16.706 1307 3HZ LYS 28 HZ3 LYS 28 -15.556 3.541 -17.735 1308 H ASP 29 H ASP 29 -17.796 0.131 -12.308 1309 HA ASP 29 HA ASP 29 -20.457 -0.854 -12.110 1310 1HB ASP 29 2HB ASP 29 -17.751 -2.066 -12.465 1311 2HB ASP 29 3HB ASP 29 -19.081 -3.118 -11.980 1312 H ALA 30 H ALA 30 -17.758 -0.569 -9.967 1313 HA ALA 30 HA ALA 30 -18.803 -2.212 -7.877 1314 1HB ALA 30 1HB ALA 30 -16.697 -0.055 -7.826 1315 2HB ALA 30 2HB ALA 30 -17.083 -1.119 -6.472 1316 3HB ALA 30 3HB ALA 30 -16.435 -1.794 -7.968 1317 H TYR 31 H TYR 31 -18.802 1.273 -8.562 1318 HA TYR 31 HA TYR 31 -20.171 2.018 -6.196 1319 1HB TYR 31 HB2 TYR 31 -18.918 3.683 -7.402 1320 2HB TYR 31 HB3 TYR 31 -19.882 3.431 -8.851 1321 HD1 TYR 31 HD1 TYR 31 -20.230 4.464 -5.287 1322 HD2 TYR 31 HD2 TYR 31 -21.695 4.828 -9.264 1323 HE1 TYR 31 HE1 TYR 31 -21.791 6.207 -4.543 1324 HE2 TYR 31 HE2 TYR 31 -23.264 6.573 -8.535 1325 HH TYR 31 HH TYR 31 -24.408 7.208 -6.345 1326 H LYS 32 H LYS 32 -21.240 0.886 -9.320 1327 HA LYS 32 HA LYS 32 -23.891 1.737 -9.302 1328 1HB LYS 32 2HB LYS 32 -22.516 0.469 -11.117 1329 2HB LYS 32 3HB LYS 32 -23.146 -0.978 -10.341 1330 1HG LYS 32 2HG LYS 32 -25.450 0.090 -10.644 1331 2HG LYS 32 3HG LYS 32 -24.642 1.188 -11.765 1332 1HD LYS 32 2HD LYS 32 -23.698 -1.166 -12.660 1333 2HD LYS 32 3HD LYS 32 -25.265 -1.685 -12.036 1334 1HE LYS 32 2HE LYS 32 -25.642 -1.134 -14.293 1335 2HE LYS 32 3HE LYS 32 -26.264 0.231 -13.368 1336 1HZ LYS 32 HZ1 LYS 32 -23.602 0.794 -13.890 1337 2HZ LYS 32 HZ2 LYS 32 -24.235 0.196 -15.344 1338 3HZ LYS 32 HZ3 LYS 32 -24.966 1.525 -14.589 1339 H LEU 33 H LEU 33 -22.567 -1.359 -8.114 1340 HA LEU 33 HA LEU 33 -25.067 -2.145 -6.953 1341 1HB LEU 33 2HB LEU 33 -23.352 -3.767 -5.709 1342 2HB LEU 33 3HB LEU 33 -23.921 -4.048 -7.341 1343 HG LEU 33 HG LEU 33 -21.675 -2.478 -7.718 1344 1HD1 LEU 33 1HD1 LEU 33 -21.395 -3.172 -5.151 1345 2HD1 LEU 33 2HD1 LEU 33 -20.689 -4.601 -5.909 1346 3HD1 LEU 33 3HD1 LEU 33 -20.026 -3.001 -6.255 1347 1HD2 LEU 33 1HD2 LEU 33 -22.663 -4.867 -8.583 1348 2HD2 LEU 33 2HD2 LEU 33 -21.102 -4.192 -9.048 1349 3HD2 LEU 33 3HD2 LEU 33 -21.200 -5.367 -7.737 1350 H LEU 34 H LEU 34 -22.291 -0.367 -5.920 1351 HA LEU 34 HA LEU 34 -22.516 -0.595 -3.139 1352 1HB LEU 34 2HB LEU 34 -21.162 1.136 -5.057 1353 2HB LEU 34 3HB LEU 34 -21.590 1.965 -3.573 1354 HG LEU 34 HG LEU 34 -20.155 -0.658 -3.461 1355 1HD1 LEU 34 1HD1 LEU 34 -18.997 1.009 -5.022 1356 2HD1 LEU 34 2HD1 LEU 34 -18.713 1.973 -3.574 1357 3HD1 LEU 34 3HD1 LEU 34 -18.051 0.343 -3.692 1358 1HD2 LEU 34 1HD2 LEU 34 -21.102 0.273 -1.412 1359 2HD2 LEU 34 2HD2 LEU 34 -19.338 0.274 -1.356 1360 3HD2 LEU 34 3HD2 LEU 34 -20.210 1.773 -1.676 1361 H GLN 35 H GLN 35 -23.677 2.027 -5.266 1362 HA GLN 35 HA GLN 35 -24.962 3.341 -3.102 1363 1HB GLN 35 2HB GLN 35 -25.471 5.044 -4.605 1364 2HB GLN 35 3HB GLN 35 -23.982 4.361 -5.239 1365 1HG GLN 35 2HG GLN 35 -24.941 3.743 -7.142 1366 2HG GLN 35 3HG GLN 35 -26.372 3.112 -6.329 1367 1HE2 GLN 35 1HE2 GLN 35 -28.072 4.019 -7.255 1368 2HE2 GLN 35 2HE2 GLN 35 -28.261 5.723 -7.550 1369 H GLU 36 H GLU 36 -26.011 0.897 -5.311 1370 HA GLU 36 HA GLU 36 -28.810 1.513 -4.926 1371 1HB GLU 36 2HB GLU 36 -27.377 0.222 -6.911 1372 2HB GLU 36 3HB GLU 36 -28.203 -1.094 -6.086 1373 1HG GLU 36 2HG GLU 36 -29.738 -0.520 -7.686 1374 2HG GLU 36 3HG GLU 36 -30.293 0.431 -6.310 1375 H ASN 37 H ASN 37 -26.403 -0.689 -3.691 1376 HA ASN 37 HA ASN 37 -28.442 -1.764 -1.856 1377 1HB ASN 37 2HB ASN 37 -25.958 -3.204 -2.805 1378 2HB ASN 37 3HB ASN 37 -27.209 -3.852 -1.755 1379 1HD2 ASN 37 1HD2 ASN 37 -26.147 -3.443 -4.913 1380 2HD2 ASN 37 2HD2 ASN 37 -27.543 -4.060 -5.733 1381 HA PRO 38 HA PRO 38 -25.623 0.473 0.913 1382 1HB PRO 38 2HB PRO 38 -27.794 0.002 2.836 1383 2HB PRO 38 3HB PRO 38 -27.091 1.527 2.291 1384 1HG PRO 38 2HG PRO 38 -29.559 0.788 1.557 1385 2HG PRO 38 3HG PRO 38 -28.486 1.667 0.452 1386 1HD PRO 38 2HD PRO 38 -29.102 -1.268 0.555 1387 2HD PRO 38 3HD PRO 38 -29.003 -0.190 -0.856 1388 H ASP 39 H ASP 39 -26.414 -2.657 0.678 1389 HA ASP 39 HA ASP 39 -25.301 -3.495 3.241 1390 1HB ASP 39 2HB ASP 39 -27.266 -4.633 1.713 1391 2HB ASP 39 3HB ASP 39 -25.856 -5.540 1.177 1392 H ILE 40 H ILE 40 -24.555 -3.094 -0.100 1393 HA ILE 40 HA ILE 40 -22.038 -4.521 0.065 1394 HB ILE 40 HB ILE 40 -22.967 -2.684 -2.146 1395 1HG1 ILE 40 2HG1 ILE 40 -23.466 -5.634 -1.706 1396 2HG1 ILE 40 3HG1 ILE 40 -24.665 -4.364 -1.919 1397 1HG2 ILE 40 1HG2 ILE 40 -20.595 -4.275 -1.673 1398 2HG2 ILE 40 2HG2 ILE 40 -21.395 -4.731 -3.177 1399 3HG2 ILE 40 3HG2 ILE 40 -20.908 -3.057 -2.911 1400 1HD1 ILE 40 1HD1 ILE 40 -22.713 -5.124 -4.066 1401 2HD1 ILE 40 2HD1 ILE 40 -24.284 -5.902 -3.875 1402 3HD1 ILE 40 3HD1 ILE 40 -24.192 -4.173 -4.215 1403 H THR 41 H THR 41 -20.507 -3.609 1.234 1404 HA THR 41 HA THR 41 -20.364 -0.691 1.380 1405 HB THR 41 HB THR 41 -18.665 -2.520 3.041 1406 HG1 THR 41 HG1 THR 41 -21.057 -3.115 2.972 1407 1HG2 THR 41 1HG2 THR 41 -18.589 0.056 3.042 1408 2HG2 THR 41 2HG2 THR 41 -20.124 -0.041 3.900 1409 3HG2 THR 41 3HG2 THR 41 -18.678 -0.771 4.595 1410 H LEU 42 H LEU 42 -18.454 0.468 0.897 1411 HA LEU 42 HA LEU 42 -16.488 -1.049 -0.664 1412 1HB LEU 42 2HB LEU 42 -17.397 0.773 -1.938 1413 2HB LEU 42 3HB LEU 42 -17.154 1.895 -0.611 1414 HG LEU 42 HG LEU 42 -14.628 1.316 -0.938 1415 1HD1 LEU 42 1HD1 LEU 42 -15.915 0.022 -3.227 1416 2HD1 LEU 42 2HD1 LEU 42 -14.562 1.076 -3.641 1417 3HD1 LEU 42 3HD1 LEU 42 -14.329 -0.253 -2.505 1418 1HD2 LEU 42 1HD2 LEU 42 -15.952 3.466 -1.476 1419 2HD2 LEU 42 2HD2 LEU 42 -14.374 3.225 -2.226 1420 3HD2 LEU 42 3HD2 LEU 42 -15.846 2.922 -3.150 1421 H ILE 43 H ILE 43 -14.630 -1.472 0.239 1422 HA ILE 43 HA ILE 43 -13.794 0.098 2.577 1423 HB ILE 43 HB ILE 43 -13.068 -2.690 1.677 1424 1HG1 ILE 43 2HG1 ILE 43 -14.224 -1.656 4.271 1425 2HG1 ILE 43 3HG1 ILE 43 -15.180 -2.334 2.956 1426 1HG2 ILE 43 1HG2 ILE 43 -11.421 -0.832 3.092 1427 2HG2 ILE 43 2HG2 ILE 43 -11.882 -2.143 4.176 1428 3HG2 ILE 43 3HG2 ILE 43 -11.080 -2.504 2.648 1429 1HD1 ILE 43 1HD1 ILE 43 -13.070 -4.139 3.693 1430 2HD1 ILE 43 2HD1 ILE 43 -14.043 -3.700 5.099 1431 3HD1 ILE 43 3HD1 ILE 43 -14.816 -4.395 3.673 1432 H ASP 44 H ASP 44 -12.464 1.681 2.019 1433 HA ASP 44 HA ASP 44 -10.683 1.250 -0.266 1434 1HB ASP 44 2HB ASP 44 -11.649 3.292 -0.683 1435 2HB ASP 44 3HB ASP 44 -11.862 3.660 1.021 1436 H VAL 45 H VAL 45 -8.608 0.974 -0.022 1437 HA VAL 45 HA VAL 45 -7.431 1.461 2.638 1438 HB VAL 45 HB VAL 45 -5.718 -0.362 1.669 1439 1HG1 VAL 45 1HG1 VAL 45 -8.290 -0.840 3.152 1440 2HG1 VAL 45 2HG1 VAL 45 -7.051 -2.078 2.952 1441 3HG1 VAL 45 3HG1 VAL 45 -6.677 -0.588 3.820 1442 1HG2 VAL 45 1HG2 VAL 45 -7.384 -0.522 -0.360 1443 2HG2 VAL 45 2HG2 VAL 45 -6.602 -1.964 0.286 1444 3HG2 VAL 45 3HG2 VAL 45 -8.266 -1.591 0.731 1445 H ARG 46 H ARG 46 -6.590 3.416 2.247 1446 HA ARG 46 HA ARG 46 -4.286 3.554 0.514 1447 1HB ARG 46 2HB ARG 46 -6.840 4.594 -0.314 1448 2HB ARG 46 3HB ARG 46 -5.706 5.919 -0.092 1449 1HG ARG 46 2HG ARG 46 -4.840 3.528 -1.640 1450 2HG ARG 46 3HG ARG 46 -5.925 4.696 -2.394 1451 1HD ARG 46 2HD ARG 46 -3.572 5.809 -0.995 1452 2HD ARG 46 3HD ARG 46 -3.244 4.896 -2.469 1453 HE ARG 46 HE ARG 46 -5.348 6.742 -2.889 1454 1HH1 ARG 46 1HH1 ARG 46 -1.843 6.611 -2.564 1455 2HH1 ARG 46 2HH1 ARG 46 -1.593 8.077 -3.465 1456 1HH2 ARG 46 1HH2 ARG 46 -4.996 8.635 -4.087 1457 2HH2 ARG 46 2HH2 ARG 46 -3.370 9.225 -4.333 1458 H ASP 47 H ASP 47 -3.234 5.692 0.702 1459 HA ASP 47 HA ASP 47 -2.923 6.286 3.462 1460 1HB ASP 47 2HB ASP 47 -1.678 7.653 1.061 1461 2HB ASP 47 3HB ASP 47 -1.098 7.727 2.722 1462 HA PRO 48 HA PRO 48 -6.108 9.275 3.693 1463 1HB PRO 48 2HB PRO 48 -5.338 10.412 6.089 1464 2HB PRO 48 3HB PRO 48 -6.255 8.910 5.930 1465 1HG PRO 48 2HG PRO 48 -3.326 9.305 6.370 1466 2HG PRO 48 3HG PRO 48 -4.419 8.113 7.099 1467 1HD PRO 48 2HD PRO 48 -2.757 7.443 5.109 1468 2HD PRO 48 3HD PRO 48 -4.388 6.750 5.225 1469 H ASP 49 H ASP 49 -2.760 10.193 3.702 1470 HA ASP 49 HA ASP 49 -3.142 12.997 3.825 1471 1HB ASP 49 2HB ASP 49 -0.963 11.312 3.841 1472 2HB ASP 49 3HB ASP 49 -0.816 12.124 2.287 1473 H GLU 50 H GLU 50 -2.763 10.735 1.129 1474 HA GLU 50 HA GLU 50 -3.133 12.745 -0.879 1475 1HB GLU 50 2HB GLU 50 -2.730 9.829 -0.807 1476 2HB GLU 50 3HB GLU 50 -3.721 10.401 -2.144 1477 1HG GLU 50 2HG GLU 50 -1.758 12.150 -2.378 1478 2HG GLU 50 3HG GLU 50 -0.853 10.873 -1.567 1479 H LEU 51 H LEU 51 -5.184 10.515 0.868 1480 HA LEU 51 HA LEU 51 -7.554 10.732 -0.640 1481 1HB LEU 51 2HB LEU 51 -6.733 9.609 1.834 1482 2HB LEU 51 3HB LEU 51 -8.129 10.613 2.167 1483 HG LEU 51 HG LEU 51 -9.280 9.347 0.257 1484 1HD1 LEU 51 1HD1 LEU 51 -7.041 8.364 -0.496 1485 2HD1 LEU 51 2HD1 LEU 51 -7.225 7.247 0.858 1486 3HD1 LEU 51 3HD1 LEU 51 -8.432 7.282 -0.427 1487 1HD2 LEU 51 1HD2 LEU 51 -8.821 8.681 3.026 1488 2HD2 LEU 51 2HD2 LEU 51 -10.301 8.575 2.071 1489 3HD2 LEU 51 3HD2 LEU 51 -9.150 7.237 2.065 1490 H LYS 52 H LYS 52 -6.307 12.604 2.066 1491 HA LYS 52 HA LYS 52 -8.494 14.367 2.305 1492 1HB LYS 52 2HB LYS 52 -5.710 14.271 3.318 1493 2HB LYS 52 3HB LYS 52 -6.495 15.844 3.327 1494 1HG LYS 52 2HG LYS 52 -8.009 15.236 4.920 1495 2HG LYS 52 3HG LYS 52 -7.982 13.535 4.454 1496 1HD LYS 52 2HD LYS 52 -6.942 13.868 6.639 1497 2HD LYS 52 3HD LYS 52 -5.764 13.292 5.458 1498 1HE LYS 52 2HE LYS 52 -4.847 15.481 5.200 1499 2HE LYS 52 3HE LYS 52 -6.144 16.196 6.156 1500 1HZ LYS 52 HZ1 LYS 52 -5.295 14.808 8.055 1501 2HZ LYS 52 HZ2 LYS 52 -3.936 14.455 7.102 1502 3HZ LYS 52 HZ3 LYS 52 -4.267 16.058 7.546 1503 H ALA 53 H ALA 53 -5.528 14.523 0.410 1504 HA ALA 53 HA ALA 53 -5.956 17.260 -0.338 1505 1HB ALA 53 1HB ALA 53 -3.785 15.480 -0.328 1506 2HB ALA 53 2HB ALA 53 -4.014 15.988 -2.003 1507 3HB ALA 53 3HB ALA 53 -3.783 17.196 -0.738 1508 H MET 54 H MET 54 -6.056 14.172 -2.139 1509 HA MET 54 HA MET 54 -6.948 15.637 -4.489 1510 1HB MET 54 2HB MET 54 -5.868 12.912 -3.972 1511 2HB MET 54 3HB MET 54 -6.858 13.146 -5.405 1512 1HG MET 54 2HG MET 54 -5.116 15.278 -5.484 1513 2HG MET 54 3HG MET 54 -4.122 13.955 -4.876 1514 1HE MET 54 1HE MET 54 -2.650 12.960 -6.454 1515 2HE MET 54 2HE MET 54 -3.773 11.615 -6.256 1516 3HE MET 54 3HE MET 54 -3.186 12.045 -7.862 1517 H GLY 55 H GLY 55 -8.243 13.236 -2.247 1518 1HA GLY 55 1HA GLY 55 -10.729 13.730 -1.999 1519 2HA GLY 55 2HA GLY 55 -10.775 13.348 -3.709 1520 H LYS 56 H LYS 56 -12.275 12.050 -1.751 1521 HA LYS 56 HA LYS 56 -11.330 9.300 -2.114 1522 1HB LYS 56 2HB LYS 56 -12.155 8.769 0.209 1523 2HB LYS 56 3HB LYS 56 -10.700 9.753 0.160 1524 1HG LYS 56 2HG LYS 56 -12.982 11.470 0.203 1525 2HG LYS 56 3HG LYS 56 -13.118 10.284 1.504 1526 1HD LYS 56 2HD LYS 56 -11.269 11.064 2.591 1527 2HD LYS 56 3HD LYS 56 -10.487 11.596 1.100 1528 1HE LYS 56 2HE LYS 56 -12.946 13.041 1.694 1529 2HE LYS 56 3HE LYS 56 -11.718 13.220 2.946 1530 1HZ LYS 56 HZ1 LYS 56 -10.305 13.549 0.663 1531 2HZ LYS 56 HZ2 LYS 56 -11.783 14.286 0.275 1532 3HZ LYS 56 HZ3 LYS 56 -10.907 14.810 1.627 1533 HA PRO 57 HA PRO 57 -15.430 8.566 -3.548 1534 1HB PRO 57 2HB PRO 57 -16.120 6.246 -2.167 1535 2HB PRO 57 3HB PRO 57 -15.250 6.318 -3.703 1536 1HG PRO 57 2HG PRO 57 -14.188 5.965 -0.936 1537 2HG PRO 57 3HG PRO 57 -13.621 5.253 -2.457 1538 1HD PRO 57 2HD PRO 57 -12.318 7.287 -1.276 1539 2HD PRO 57 3HD PRO 57 -12.425 7.146 -3.044 1540 H ASP 58 H ASP 58 -17.151 9.701 -2.991 1541 HA ASP 58 HA ASP 58 -17.918 9.855 -0.160 1542 1HB ASP 58 2HB ASP 58 -17.471 11.992 -1.348 1543 2HB ASP 58 3HB ASP 58 -18.773 11.617 -2.471 1544 H VAL 59 H VAL 59 -18.808 7.675 -0.393 1545 HA VAL 59 HA VAL 59 -21.423 7.681 -1.744 1546 HB VAL 59 HB VAL 59 -21.255 5.371 -2.170 1547 1HG1 VAL 59 1HG1 VAL 59 -19.019 7.073 -2.898 1548 2HG1 VAL 59 2HG1 VAL 59 -18.598 5.360 -2.916 1549 3HG1 VAL 59 3HG1 VAL 59 -19.954 5.946 -3.882 1550 1HG2 VAL 59 1HG2 VAL 59 -19.314 5.402 0.037 1551 2HG2 VAL 59 2HG2 VAL 59 -20.471 4.161 -0.442 1552 3HG2 VAL 59 3HG2 VAL 59 -18.930 4.304 -1.289 1553 H LYS 60 H LYS 60 -23.013 6.116 -0.731 1554 HA LYS 60 HA LYS 60 -23.592 7.028 1.837 1555 1HB LYS 60 2HB LYS 60 -24.735 4.525 0.611 1556 2HB LYS 60 3HB LYS 60 -25.492 5.588 1.788 1557 1HG LYS 60 2HG LYS 60 -26.229 7.003 0.221 1558 2HG LYS 60 3HG LYS 60 -24.734 6.908 -0.712 1559 1HD LYS 60 2HD LYS 60 -25.580 5.362 -2.094 1560 2HD LYS 60 3HD LYS 60 -26.249 4.421 -0.760 1561 1HE LYS 60 2HE LYS 60 -27.620 6.958 -1.370 1562 2HE LYS 60 3HE LYS 60 -27.747 5.701 -2.598 1563 1HZ LYS 60 HZ1 LYS 60 -28.184 4.695 0.049 1564 2HZ LYS 60 HZ2 LYS 60 -29.283 5.919 -0.359 1565 3HZ LYS 60 HZ3 LYS 60 -29.148 4.541 -1.337 1566 H ASN 61 H ASN 61 -22.203 3.928 0.799 1567 HA ASN 61 HA ASN 61 -21.657 3.369 3.633 1568 1HB ASN 61 2HB ASN 61 -21.602 0.923 2.164 1569 2HB ASN 61 3HB ASN 61 -22.670 1.383 3.481 1570 1HD2 ASN 61 1HD2 ASN 61 -22.673 0.158 0.517 1571 2HD2 ASN 61 2HD2 ASN 61 -24.198 0.728 -0.063 1572 H TYR 62 H TYR 62 -19.679 4.529 3.272 1573 HA TYR 62 HA TYR 62 -17.643 2.800 2.044 1574 1HB TYR 62 HB2 TYR 62 -17.540 4.647 0.634 1575 2HB TYR 62 HB3 TYR 62 -17.990 5.775 1.904 1576 HD1 TYR 62 HD1 TYR 62 -15.218 3.285 1.565 1577 HD2 TYR 62 HD2 TYR 62 -16.326 7.342 2.191 1578 HE1 TYR 62 HE1 TYR 62 -12.861 3.866 1.897 1579 HE2 TYR 62 HE2 TYR 62 -13.962 7.948 2.512 1580 HH TYR 62 HH TYR 62 -11.384 5.842 1.744 1581 H LYS 63 H LYS 63 -16.122 2.110 3.404 1582 HA LYS 63 HA LYS 63 -15.687 3.627 5.888 1583 1HB LYS 63 2HB LYS 63 -15.466 0.618 5.665 1584 2HB LYS 63 3HB LYS 63 -15.343 1.594 7.120 1585 1HG LYS 63 2HG LYS 63 -17.732 2.281 6.689 1586 2HG LYS 63 3HG LYS 63 -17.790 0.968 5.516 1587 1HD LYS 63 2HD LYS 63 -16.764 -0.362 7.597 1588 2HD LYS 63 3HD LYS 63 -17.654 0.882 8.479 1589 1HE LYS 63 2HE LYS 63 -19.390 -0.009 6.476 1590 2HE LYS 63 3HE LYS 63 -18.632 -1.466 7.118 1591 1HZ LYS 63 HZ1 LYS 63 -19.696 0.548 8.984 1592 2HZ LYS 63 HZ2 LYS 63 -20.772 -0.511 8.206 1593 3HZ LYS 63 HZ3 LYS 63 -19.536 -1.129 9.184 1594 H HIS 64 H HIS 64 -13.644 4.334 6.086 1595 HA HIS 64 HA HIS 64 -11.653 3.373 4.203 1596 1HB HIS 64 2HB HIS 64 -11.934 5.802 4.611 1597 2HB HIS 64 3HB HIS 64 -11.461 5.560 6.291 1598 HD1 HIS 64 HD1 HIS 64 -9.278 6.834 6.307 1599 HD2 HIS 64 HD2 HIS 64 -9.487 4.027 3.242 1600 HE1 HIS 64 HE1 HIS 64 -6.986 6.780 5.269 1601 HE2 HIS 64 HE2 HIS 64 -7.204 5.233 3.300 1602 H MET 65 H MET 65 -10.080 1.991 4.676 1603 HA MET 65 HA MET 65 -9.528 1.438 7.508 1604 1HB MET 65 2HB MET 65 -10.078 -0.360 5.322 1605 2HB MET 65 3HB MET 65 -8.446 -0.630 5.919 1606 1HG MET 65 2HG MET 65 -9.204 -1.698 7.699 1607 2HG MET 65 3HG MET 65 -10.264 -0.355 8.118 1608 1HE MET 65 1HE MET 65 -12.550 0.019 7.271 1609 2HE MET 65 2HE MET 65 -12.391 -0.320 5.548 1610 3HE MET 65 3HE MET 65 -13.599 -1.175 6.508 1611 H SER 66 H SER 66 -7.226 0.859 7.884 1612 HA SER 66 HA SER 66 -5.546 2.788 6.576 1613 1HB SER 66 2HB SER 66 -4.359 0.817 8.444 1614 2HB SER 66 3HB SER 66 -4.195 2.573 8.401 1615 HG SER 66 HG SER 66 -6.518 2.523 9.105 1616 H ARG 67 H ARG 67 -3.862 2.393 5.210 1617 HA ARG 67 HA ARG 67 -4.109 0.481 3.309 1618 1HB ARG 67 2HB ARG 67 -1.297 1.061 3.583 1619 2HB ARG 67 3HB ARG 67 -2.421 1.577 2.336 1620 1HG ARG 67 2HG ARG 67 -2.609 3.634 3.194 1621 2HG ARG 67 3HG ARG 67 -2.707 3.036 4.852 1622 1HD ARG 67 2HD ARG 67 -0.073 2.554 3.988 1623 2HD ARG 67 3HD ARG 67 -0.473 4.189 3.463 1624 HE ARG 67 HE ARG 67 -0.679 3.247 6.255 1625 1HH1 ARG 67 1HH1 ARG 67 0.123 5.727 3.901 1626 2HH1 ARG 67 2HH1 ARG 67 0.449 6.946 5.105 1627 1HH2 ARG 67 1HH2 ARG 67 -0.234 4.834 7.833 1628 2HH2 ARG 67 2HH2 ARG 67 0.262 6.421 7.342 1629 H GLY 68 H GLY 68 -1.918 0.298 6.073 1630 1HA GLY 68 1HA GLY 68 -1.514 -2.560 5.509 1631 2HA GLY 68 2HA GLY 68 -0.448 -1.568 6.497 1632 H LYS 69 H LYS 69 -2.257 -0.277 8.083 1633 HA LYS 69 HA LYS 69 -2.792 -2.366 9.970 1634 1HB LYS 69 2HB LYS 69 -2.137 0.345 10.110 1635 2HB LYS 69 3HB LYS 69 -3.765 0.239 10.768 1636 1HG LYS 69 2HG LYS 69 -3.066 -1.345 12.414 1637 2HG LYS 69 3HG LYS 69 -1.468 -1.478 11.675 1638 1HD LYS 69 2HD LYS 69 -0.778 0.150 13.018 1639 2HD LYS 69 3HD LYS 69 -1.855 1.252 12.157 1640 1HE LYS 69 2HE LYS 69 -2.717 1.552 14.227 1641 2HE LYS 69 3HE LYS 69 -3.623 0.097 13.811 1642 1HZ LYS 69 HZ1 LYS 69 -1.047 -0.481 14.935 1643 2HZ LYS 69 HZ2 LYS 69 -2.030 0.414 15.991 1644 3HZ LYS 69 HZ3 LYS 69 -2.579 -1.066 15.379 1645 H LEU 70 H LEU 70 -4.469 -2.495 7.662 1646 HA LEU 70 HA LEU 70 -7.109 -1.634 8.450 1647 1HB LEU 70 2HB LEU 70 -7.816 -2.393 6.429 1648 2HB LEU 70 3HB LEU 70 -6.113 -2.241 6.051 1649 HG LEU 70 HG LEU 70 -6.574 -4.857 7.103 1650 1HD1 LEU 70 1HD1 LEU 70 -8.871 -3.898 5.882 1651 2HD1 LEU 70 2HD1 LEU 70 -8.071 -4.851 4.632 1652 3HD1 LEU 70 3HD1 LEU 70 -8.461 -5.586 6.189 1653 1HD2 LEU 70 1HD2 LEU 70 -5.467 -3.554 4.710 1654 2HD2 LEU 70 2HD2 LEU 70 -4.819 -4.865 5.695 1655 3HD2 LEU 70 3HD2 LEU 70 -6.048 -5.204 4.474 1656 H GLU 71 H GLU 71 -4.988 -4.260 8.925 1657 HA GLU 71 HA GLU 71 -6.642 -6.384 9.540 1658 1HB GLU 71 2HB GLU 71 -4.522 -6.332 11.495 1659 2HB GLU 71 3HB GLU 71 -4.750 -7.412 10.128 1660 1HG GLU 71 2HG GLU 71 -3.105 -6.445 9.008 1661 2HG GLU 71 3HG GLU 71 -3.815 -4.847 9.233 1662 HA PRO 72 HA PRO 72 -7.284 -4.963 14.073 1663 1HB PRO 72 2HB PRO 72 -6.181 -2.318 14.447 1664 2HB PRO 72 3HB PRO 72 -5.781 -3.813 15.295 1665 1HG PRO 72 2HG PRO 72 -4.072 -2.533 13.597 1666 2HG PRO 72 3HG PRO 72 -4.028 -4.277 13.913 1667 1HD PRO 72 2HD PRO 72 -5.209 -2.796 11.596 1668 2HD PRO 72 3HD PRO 72 -4.288 -4.316 11.612 1669 H LEU 73 H LEU 73 -7.561 -2.779 11.414 1670 HA LEU 73 HA LEU 73 -9.505 -1.081 12.717 1671 1HB LEU 73 2HB LEU 73 -7.786 -0.922 10.449 1672 2HB LEU 73 3HB LEU 73 -9.427 -0.660 9.891 1673 HG LEU 73 HG LEU 73 -8.052 1.389 10.543 1674 1HD1 LEU 73 1HD1 LEU 73 -10.823 0.739 10.999 1675 2HD1 LEU 73 2HD1 LEU 73 -10.265 1.999 12.100 1676 3HD1 LEU 73 3HD1 LEU 73 -10.097 2.213 10.357 1677 1HD2 LEU 73 1HD2 LEU 73 -7.435 0.111 12.778 1678 2HD2 LEU 73 2HD2 LEU 73 -7.570 1.868 12.716 1679 3HD2 LEU 73 3HD2 LEU 73 -8.906 0.903 13.344 1680 H LEU 74 H LEU 74 -9.655 -4.069 11.261 1681 HA LEU 74 HA LEU 74 -11.903 -3.856 9.610 1682 1HB LEU 74 2HB LEU 74 -10.145 -5.823 10.212 1683 2HB LEU 74 3HB LEU 74 -11.558 -6.391 11.077 1684 HG LEU 74 HG LEU 74 -12.859 -6.374 9.013 1685 1HD1 LEU 74 1HD1 LEU 74 -11.479 -4.489 7.987 1686 2HD1 LEU 74 2HD1 LEU 74 -10.334 -5.745 7.515 1687 3HD1 LEU 74 3HD1 LEU 74 -11.991 -5.793 6.914 1688 1HD2 LEU 74 1HD2 LEU 74 -10.465 -7.990 9.437 1689 2HD2 LEU 74 2HD2 LEU 74 -12.118 -8.480 9.060 1690 3HD2 LEU 74 3HD2 LEU 74 -11.031 -7.979 7.766 1691 H ALA 75 H ALA 75 -11.757 -5.037 12.991 1692 HA ALA 75 HA ALA 75 -14.586 -5.226 13.237 1693 1HB ALA 75 1HB ALA 75 -12.364 -5.947 14.786 1694 2HB ALA 75 2HB ALA 75 -13.333 -4.869 15.790 1695 3HB ALA 75 3HB ALA 75 -14.060 -6.317 15.094 1696 H LYS 76 H LYS 76 -12.364 -2.629 13.578 1697 HA LYS 76 HA LYS 76 -13.958 -1.009 15.292 1698 1HB LYS 76 2HB LYS 76 -11.889 0.123 13.452 1699 2HB LYS 76 3HB LYS 76 -12.320 0.623 15.082 1700 1HG LYS 76 2HG LYS 76 -11.007 -2.004 14.471 1701 2HG LYS 76 3HG LYS 76 -10.111 -0.532 14.828 1702 1HD LYS 76 2HD LYS 76 -11.289 -0.386 17.003 1703 2HD LYS 76 3HD LYS 76 -12.091 -1.915 16.637 1704 1HE LYS 76 2HE LYS 76 -9.097 -1.626 16.685 1705 2HE LYS 76 3HE LYS 76 -10.031 -2.023 18.125 1706 1HZ LYS 76 HZ1 LYS 76 -10.110 -3.619 15.617 1707 2HZ LYS 76 HZ2 LYS 76 -9.106 -3.975 16.929 1708 3HZ LYS 76 HZ3 LYS 76 -10.788 -4.030 17.118 1709 H SER 77 H SER 77 -13.684 -1.444 11.849 1710 HA SER 77 HA SER 77 -15.229 0.864 11.150 1711 1HB SER 77 2HB SER 77 -14.627 -1.612 9.510 1712 2HB SER 77 3HB SER 77 -15.206 -0.062 8.897 1713 HG SER 77 HG SER 77 -12.683 -0.709 10.001 1714 H GLY 78 H GLY 78 -15.852 -2.579 11.676 1715 1HA GLY 78 1HA GLY 78 -17.876 -3.428 12.511 1716 2HA GLY 78 2HA GLY 78 -18.679 -1.940 12.024 1717 H LEU 79 H LEU 79 -17.296 -4.955 10.834 1718 HA LEU 79 HA LEU 79 -19.058 -4.723 8.481 1719 1HB LEU 79 2HB LEU 79 -16.319 -5.974 8.658 1720 2HB LEU 79 3HB LEU 79 -17.369 -6.073 7.256 1721 HG LEU 79 HG LEU 79 -16.809 -3.339 8.208 1722 1HD1 LEU 79 1HD1 LEU 79 -14.636 -4.399 8.575 1723 2HD1 LEU 79 2HD1 LEU 79 -14.649 -4.994 6.916 1724 3HD1 LEU 79 3HD1 LEU 79 -14.591 -3.261 7.230 1725 1HD2 LEU 79 1HD2 LEU 79 -16.755 -4.688 5.512 1726 2HD2 LEU 79 2HD2 LEU 79 -18.099 -3.774 6.197 1727 3HD2 LEU 79 3HD2 LEU 79 -16.589 -2.955 5.799 1728 H ASP 80 H ASP 80 -20.212 -6.525 7.855 1729 HA ASP 80 HA ASP 80 -20.069 -8.847 9.648 1730 1HB ASP 80 2HB ASP 80 -22.215 -8.214 10.090 1731 2HB ASP 80 3HB ASP 80 -22.333 -7.240 8.631 1732 HA PRO 81 HA PRO 81 -18.591 -11.023 6.164 1733 1HB PRO 81 2HB PRO 81 -19.427 -13.566 6.838 1734 2HB PRO 81 3HB PRO 81 -17.986 -12.762 7.480 1735 1HG PRO 81 2HG PRO 81 -20.711 -13.018 8.684 1736 2HG PRO 81 3HG PRO 81 -19.125 -13.162 9.462 1737 1HD PRO 81 2HD PRO 81 -20.588 -10.940 9.709 1738 2HD PRO 81 3HD PRO 81 -18.819 -10.859 9.542 1739 H GLU 82 H GLU 82 -21.874 -10.575 6.588 1740 HA GLU 82 HA GLU 82 -22.581 -12.211 4.262 1741 1HB GLU 82 2HB GLU 82 -24.235 -10.768 6.323 1742 2HB GLU 82 3HB GLU 82 -24.934 -11.447 4.860 1743 1HG GLU 82 2HG GLU 82 -23.249 -13.284 6.407 1744 2HG GLU 82 3HG GLU 82 -24.729 -12.755 7.208 1745 H LYS 83 H LYS 83 -21.646 -9.086 5.089 1746 HA LYS 83 HA LYS 83 -23.160 -7.710 3.040 1747 1HB LYS 83 2HB LYS 83 -20.736 -6.554 4.386 1748 2HB LYS 83 3HB LYS 83 -22.162 -5.725 3.783 1749 1HG LYS 83 2HG LYS 83 -22.740 -7.601 5.933 1750 2HG LYS 83 3HG LYS 83 -21.629 -6.312 6.397 1751 1HD LYS 83 2HD LYS 83 -23.272 -4.810 6.432 1752 2HD LYS 83 3HD LYS 83 -23.823 -5.287 4.825 1753 1HE LYS 83 2HE LYS 83 -24.573 -6.519 7.468 1754 2HE LYS 83 3HE LYS 83 -25.623 -5.652 6.347 1755 1HZ LYS 83 HZ1 LYS 83 -25.014 -7.481 4.707 1756 2HZ LYS 83 HZ2 LYS 83 -24.446 -8.348 6.058 1757 3HZ LYS 83 HZ3 LYS 83 -26.078 -7.882 5.964 1758 HA PRO 84 HA PRO 84 -20.137 -8.686 -0.161 1759 1HB PRO 84 2HB PRO 84 -21.667 -6.701 -1.696 1760 2HB PRO 84 3HB PRO 84 -21.395 -8.413 -2.043 1761 1HG PRO 84 2HG PRO 84 -23.804 -7.501 -1.290 1762 2HG PRO 84 3HG PRO 84 -23.207 -9.093 -0.790 1763 1HD PRO 84 2HD PRO 84 -23.255 -6.522 0.764 1764 2HD PRO 84 3HD PRO 84 -23.699 -8.167 1.290 1765 H VAL 85 H VAL 85 -18.238 -7.666 -0.447 1766 HA VAL 85 HA VAL 85 -18.148 -4.768 0.055 1767 HB VAL 85 HB VAL 85 -15.773 -5.470 1.037 1768 1HG1 VAL 85 1HG1 VAL 85 -17.691 -4.214 2.111 1769 2HG1 VAL 85 2HG1 VAL 85 -18.233 -5.771 2.738 1770 3HG1 VAL 85 3HG1 VAL 85 -16.653 -5.135 3.199 1771 1HG2 VAL 85 1HG2 VAL 85 -16.910 -7.962 0.643 1772 2HG2 VAL 85 2HG2 VAL 85 -15.517 -7.595 1.663 1773 3HG2 VAL 85 3HG2 VAL 85 -17.134 -7.660 2.366 1774 H VAL 86 H VAL 86 -16.668 -3.585 -1.082 1775 HA VAL 86 HA VAL 86 -15.013 -5.060 -3.011 1776 HB VAL 86 HB VAL 86 -16.576 -4.099 -4.444 1777 1HG1 VAL 86 1HG1 VAL 86 -16.996 -2.259 -2.295 1778 2HG1 VAL 86 2HG1 VAL 86 -16.836 -1.379 -3.817 1779 3HG1 VAL 86 3HG1 VAL 86 -18.048 -2.652 -3.657 1780 1HG2 VAL 86 1HG2 VAL 86 -14.097 -3.299 -4.752 1781 2HG2 VAL 86 2HG2 VAL 86 -15.385 -2.656 -5.771 1782 3HG2 VAL 86 3HG2 VAL 86 -14.788 -1.716 -4.404 1783 H VAL 87 H VAL 87 -12.912 -4.367 -3.180 1784 HA VAL 87 HA VAL 87 -12.087 -2.410 -1.149 1785 HB VAL 87 HB VAL 87 -9.749 -3.429 -1.681 1786 1HG1 VAL 87 1HG1 VAL 87 -11.967 -4.617 -0.079 1787 2HG1 VAL 87 2HG1 VAL 87 -10.429 -5.475 -0.183 1788 3HG1 VAL 87 3HG1 VAL 87 -10.481 -3.831 0.461 1789 1HG2 VAL 87 1HG2 VAL 87 -11.167 -4.815 -3.561 1790 2HG2 VAL 87 2HG2 VAL 87 -9.590 -5.286 -2.923 1791 3HG2 VAL 87 3HG2 VAL 87 -11.062 -5.977 -2.239 1792 H PHE 88 H PHE 88 -11.325 -0.514 -1.720 1793 HA PHE 88 HA PHE 88 -10.791 -0.073 -4.575 1794 1HB PHE 88 2HB PHE 88 -12.746 1.084 -3.334 1795 2HB PHE 88 3HB PHE 88 -11.497 2.096 -2.616 1796 HD1 PHE 88 HD1 PHE 88 -11.773 0.758 -6.087 1797 HD2 PHE 88 HD2 PHE 88 -11.800 4.184 -3.555 1798 HE1 PHE 88 HE1 PHE 88 -11.765 2.219 -8.057 1799 HE2 PHE 88 HE2 PHE 88 -11.787 5.639 -5.524 1800 HZ PHE 88 HZ PHE 88 -11.773 4.660 -7.778 1801 H CYS 89 H CYS 89 -9.028 0.968 -5.263 1802 HA CYS 89 HA CYS 89 -7.329 2.680 -4.015 1803 1HB CYS 89 2HB CYS 89 -6.835 0.828 -2.396 1804 2HB CYS 89 3HB CYS 89 -6.209 -0.125 -3.737 1805 H LYS 90 H LYS 90 -6.755 -0.387 -5.700 1806 HA LYS 90 HA LYS 90 -6.666 0.704 -8.267 1807 1HB LYS 90 2HB LYS 90 -4.334 1.334 -6.985 1808 2HB LYS 90 3HB LYS 90 -3.914 -0.210 -7.715 1809 1HG LYS 90 2HG LYS 90 -3.397 0.982 -9.524 1810 2HG LYS 90 3HG LYS 90 -5.138 1.094 -9.786 1811 1HD LYS 90 2HD LYS 90 -5.246 3.261 -9.070 1812 2HD LYS 90 3HD LYS 90 -3.879 3.082 -7.970 1813 1HE LYS 90 2HE LYS 90 -2.729 4.226 -9.519 1814 2HE LYS 90 3HE LYS 90 -2.704 2.704 -10.409 1815 1HZ LYS 90 HZ1 LYS 90 -4.869 4.713 -10.713 1816 2HZ LYS 90 HZ2 LYS 90 -3.481 4.697 -11.689 1817 3HZ LYS 90 HZ3 LYS 90 -4.538 3.375 -11.707 1818 H THR 91 H THR 91 -5.017 -1.073 -9.548 1819 HA THR 91 HA THR 91 -6.628 -3.397 -9.438 1820 HB THR 91 HB THR 91 -4.403 -3.928 -11.064 1821 HG1 THR 91 HG1 THR 91 -4.798 -1.675 -12.239 1822 1HG2 THR 91 1HG2 THR 91 -6.835 -4.330 -11.511 1823 2HG2 THR 91 2HG2 THR 91 -6.995 -2.613 -11.879 1824 3HG2 THR 91 3HG2 THR 91 -5.954 -3.635 -12.871 1825 H ALA 92 H ALA 92 -3.320 -2.690 -8.446 1826 HA ALA 92 HA ALA 92 -2.535 -5.381 -8.283 1827 1HB ALA 92 1HB ALA 92 -1.332 -2.782 -7.772 1828 2HB ALA 92 2HB ALA 92 -0.683 -4.084 -6.776 1829 3HB ALA 92 3HB ALA 92 -0.662 -4.225 -8.533 1830 H ALA 93 H ALA 93 -1.047 -5.655 -6.089 1831 HA ALA 93 HA ALA 93 -2.696 -7.056 -4.430 1832 1HB ALA 93 1HB ALA 93 0.107 -6.070 -4.065 1833 2HB ALA 93 2HB ALA 93 -0.690 -7.081 -2.860 1834 3HB ALA 93 3HB ALA 93 -0.458 -7.683 -4.501 1835 H ARG 94 H ARG 94 -1.846 -3.681 -4.104 1836 HA ARG 94 HA ARG 94 -2.083 -3.220 -1.428 1837 1HB ARG 94 2HB ARG 94 -1.695 -1.556 -3.375 1838 2HB ARG 94 3HB ARG 94 -3.442 -1.364 -3.358 1839 1HG ARG 94 2HG ARG 94 -3.313 0.052 -1.659 1840 2HG ARG 94 3HG ARG 94 -2.428 -1.130 -0.690 1841 1HD ARG 94 2HD ARG 94 -0.390 -0.278 -1.256 1842 2HD ARG 94 3HD ARG 94 -0.943 0.289 -2.829 1843 HE ARG 94 HE ARG 94 -1.634 1.657 -0.309 1844 1HH1 ARG 94 1HH1 ARG 94 -0.742 1.727 -3.683 1845 2HH1 ARG 94 2HH1 ARG 94 -0.529 3.447 -3.726 1846 1HH2 ARG 94 1HH2 ARG 94 -1.323 3.953 -0.357 1847 2HH2 ARG 94 2HH2 ARG 94 -0.790 4.695 -1.843 1848 H ALA 95 H ALA 95 -4.819 -3.137 -3.710 1849 HA ALA 95 HA ALA 95 -6.749 -3.081 -1.573 1850 1HB ALA 95 1HB ALA 95 -7.052 -3.409 -4.554 1851 2HB ALA 95 2HB ALA 95 -8.402 -3.315 -3.421 1852 3HB ALA 95 3HB ALA 95 -7.308 -1.942 -3.605 1853 H ALA 96 H ALA 96 -5.330 -5.462 -3.705 1854 HA ALA 96 HA ALA 96 -7.143 -7.544 -3.383 1855 1HB ALA 96 1HB ALA 96 -5.029 -7.218 -4.942 1856 2HB ALA 96 2HB ALA 96 -4.268 -8.208 -3.693 1857 3HB ALA 96 3HB ALA 96 -5.676 -8.817 -4.568 1858 H LEU 97 H LEU 97 -4.488 -6.520 -1.335 1859 HA LEU 97 HA LEU 97 -4.334 -8.908 0.188 1860 1HB LEU 97 2HB LEU 97 -3.153 -6.260 0.285 1861 2HB LEU 97 3HB LEU 97 -3.534 -6.858 1.893 1862 HG LEU 97 HG LEU 97 -1.195 -7.337 1.006 1863 1HD1 LEU 97 1HD1 LEU 97 -2.907 -8.777 2.662 1864 2HD1 LEU 97 2HD1 LEU 97 -2.139 -9.985 1.632 1865 3HD1 LEU 97 3HD1 LEU 97 -1.150 -8.886 2.593 1866 1HD2 LEU 97 1HD2 LEU 97 -2.617 -8.357 -1.161 1867 2HD2 LEU 97 2HD2 LEU 97 -0.891 -8.531 -0.848 1868 3HD2 LEU 97 3HD2 LEU 97 -2.012 -9.779 -0.308 1869 H ALA 98 H ALA 98 -6.189 -5.939 0.567 1870 HA ALA 98 HA ALA 98 -7.290 -6.627 3.100 1871 1HB ALA 98 1HB ALA 98 -7.924 -4.595 1.000 1872 2HB ALA 98 2HB ALA 98 -9.070 -4.884 2.312 1873 3HB ALA 98 3HB ALA 98 -7.424 -4.360 2.676 1874 H GLY 99 H GLY 99 -8.404 -6.903 -0.244 1875 1HA GLY 99 1HA GLY 99 -10.934 -8.006 0.397 1876 2HA GLY 99 2HA GLY 99 -10.161 -8.043 -1.180 1877 H LYS 100 H LYS 100 -7.962 -9.567 -0.795 1878 HA LYS 100 HA LYS 100 -9.057 -12.103 -1.017 1879 1HB LYS 100 2HB LYS 100 -6.951 -12.836 -1.576 1880 2HB LYS 100 3HB LYS 100 -6.781 -11.105 -1.850 1881 1HG LYS 100 2HG LYS 100 -5.092 -11.017 -0.429 1882 2HG LYS 100 3HG LYS 100 -6.088 -11.696 0.860 1883 1HD LYS 100 2HD LYS 100 -5.599 -13.946 -0.464 1884 2HD LYS 100 3HD LYS 100 -4.180 -13.037 -0.988 1885 1HE LYS 100 2HE LYS 100 -3.201 -13.194 1.021 1886 2HE LYS 100 3HE LYS 100 -4.698 -12.830 1.877 1887 1HZ LYS 100 HZ1 LYS 100 -4.612 -15.441 0.646 1888 2HZ LYS 100 HZ2 LYS 100 -3.492 -15.225 1.893 1889 3HZ LYS 100 HZ3 LYS 100 -5.146 -14.994 2.186 1890 H THR 101 H THR 101 -7.516 -10.598 1.772 1891 HA THR 101 HA THR 101 -7.544 -12.982 3.342 1892 HB THR 101 HB THR 101 -7.458 -10.217 4.510 1893 HG1 THR 101 HG1 THR 101 -5.848 -9.920 3.119 1894 1HG2 THR 101 1HG2 THR 101 -6.205 -12.870 5.221 1895 2HG2 THR 101 2HG2 THR 101 -5.811 -11.348 6.019 1896 3HG2 THR 101 3HG2 THR 101 -7.447 -11.994 6.121 1897 H LEU 102 H LEU 102 -9.741 -10.272 2.886 1898 HA LEU 102 HA LEU 102 -11.473 -10.818 5.034 1899 1HB LEU 102 2HB LEU 102 -11.631 -9.269 2.516 1900 2HB LEU 102 3HB LEU 102 -13.149 -9.699 3.279 1901 HG LEU 102 HG LEU 102 -10.936 -8.265 4.735 1902 1HD1 LEU 102 1HD1 LEU 102 -12.179 -7.166 2.633 1903 2HD1 LEU 102 2HD1 LEU 102 -13.357 -6.800 3.894 1904 3HD1 LEU 102 3HD1 LEU 102 -11.688 -6.247 4.056 1905 1HD2 LEU 102 1HD2 LEU 102 -12.579 -9.463 6.117 1906 2HD2 LEU 102 2HD2 LEU 102 -12.680 -7.714 6.321 1907 3HD2 LEU 102 3HD2 LEU 102 -13.877 -8.558 5.336 1908 H ARG 103 H ARG 103 -11.623 -11.850 1.613 1909 HA ARG 103 HA ARG 103 -14.015 -13.346 1.915 1910 1HB ARG 103 2HB ARG 103 -13.196 -14.536 -0.199 1911 2HB ARG 103 3HB ARG 103 -13.482 -12.806 -0.305 1912 1HG ARG 103 2HG ARG 103 -11.386 -12.417 -0.901 1913 2HG ARG 103 3HG ARG 103 -10.754 -13.360 0.448 1914 1HD ARG 103 2HD ARG 103 -10.080 -14.195 -1.804 1915 2HD ARG 103 3HD ARG 103 -10.910 -15.386 -0.803 1916 HE ARG 103 HE ARG 103 -12.245 -13.883 -2.964 1917 1HH1 ARG 103 1HH1 ARG 103 -11.538 -16.868 -1.289 1918 2HH1 ARG 103 2HH1 ARG 103 -12.717 -17.794 -2.165 1919 1HH2 ARG 103 1HH2 ARG 103 -13.786 -15.101 -4.150 1920 2HH2 ARG 103 2HH2 ARG 103 -13.977 -16.797 -3.808 1921 H GLU 104 H GLU 104 -10.706 -14.005 2.634 1922 HA GLU 104 HA GLU 104 -10.875 -16.838 2.795 1923 1HB GLU 104 2HB GLU 104 -8.905 -14.760 3.457 1924 2HB GLU 104 3HB GLU 104 -8.829 -16.189 4.479 1925 1HG GLU 104 2HG GLU 104 -8.514 -17.608 2.583 1926 2HG GLU 104 3HG GLU 104 -8.802 -16.269 1.475 1927 H TYR 105 H TYR 105 -12.302 -14.480 4.671 1928 HA TYR 105 HA TYR 105 -12.267 -16.176 7.069 1929 1HB TYR 105 HB2 TYR 105 -13.066 -13.277 6.746 1930 2HB TYR 105 HB3 TYR 105 -13.208 -14.188 8.249 1931 HD1 TYR 105 HD1 TYR 105 -10.729 -15.772 8.181 1932 HD2 TYR 105 HD2 TYR 105 -11.404 -11.685 7.217 1933 HE1 TYR 105 HE1 TYR 105 -8.379 -15.274 8.684 1934 HE2 TYR 105 HE2 TYR 105 -9.049 -11.176 7.721 1935 HH TYR 105 HH TYR 105 -6.713 -13.562 8.013 1936 H GLY 106 H GLY 106 -14.099 -15.529 4.365 1937 1HA GLY 106 1HA GLY 106 -16.008 -16.945 4.005 1938 2HA GLY 106 2HA GLY 106 -16.420 -16.754 5.702 1939 H PHE 107 H PHE 107 -15.573 -14.257 3.353 1940 HA PHE 107 HA PHE 107 -18.048 -12.871 3.969 1941 1HB PHE 107 2HB PHE 107 -15.439 -12.136 2.808 1942 2HB PHE 107 3HB PHE 107 -16.824 -11.339 2.063 1943 HD1 PHE 107 HD1 PHE 107 -15.293 -12.048 5.376 1944 HD2 PHE 107 HD2 PHE 107 -17.745 -9.459 3.054 1945 HE1 PHE 107 HE1 PHE 107 -15.370 -10.453 7.247 1946 HE2 PHE 107 HE2 PHE 107 -17.823 -7.856 4.918 1947 HZ PHE 107 HZ PHE 107 -16.635 -8.353 7.018 1948 H LYS 108 H LYS 108 -19.581 -12.306 2.408 1949 HA LYS 108 HA LYS 108 -20.279 -14.362 0.663 1950 1HB LYS 108 2HB LYS 108 -21.309 -11.669 1.302 1951 2HB LYS 108 3HB LYS 108 -21.780 -12.304 -0.269 1952 1HG LYS 108 2HG LYS 108 -22.172 -14.403 1.530 1953 2HG LYS 108 3HG LYS 108 -22.774 -12.958 2.342 1954 1HD LYS 108 2HD LYS 108 -23.597 -12.955 -0.407 1955 2HD LYS 108 3HD LYS 108 -24.056 -14.477 0.358 1956 1HE LYS 108 2HE LYS 108 -24.567 -11.937 1.819 1957 2HE LYS 108 3HE LYS 108 -25.616 -12.350 0.464 1958 1HZ LYS 108 HZ1 LYS 108 -25.846 -14.594 1.627 1959 2HZ LYS 108 HZ2 LYS 108 -25.206 -13.827 2.994 1960 3HZ LYS 108 HZ3 LYS 108 -26.655 -13.273 2.311 1961 H THR 109 H THR 109 -20.165 -11.115 -0.656 1962 HA THR 109 HA THR 109 -18.600 -12.171 -2.912 1963 HB THR 109 HB THR 109 -20.262 -9.777 -3.370 1964 HG1 THR 109 HG1 THR 109 -21.345 -12.302 -2.662 1965 1HG2 THR 109 1HG2 THR 109 -19.814 -12.374 -4.844 1966 2HG2 THR 109 2HG2 THR 109 -20.800 -11.041 -5.443 1967 3HG2 THR 109 3HG2 THR 109 -19.067 -10.816 -5.197 1968 H ILE 110 H ILE 110 -16.648 -11.329 -3.101 1969 HA ILE 110 HA ILE 110 -16.194 -8.617 -2.040 1970 HB ILE 110 HB ILE 110 -15.158 -10.499 -0.744 1971 1HG1 ILE 110 2HG1 ILE 110 -12.769 -9.080 -1.584 1972 2HG1 ILE 110 3HG1 ILE 110 -14.148 -7.998 -1.393 1973 1HG2 ILE 110 1HG2 ILE 110 -13.762 -10.927 -3.339 1974 2HG2 ILE 110 2HG2 ILE 110 -12.909 -11.260 -1.832 1975 3HG2 ILE 110 3HG2 ILE 110 -14.415 -12.103 -2.198 1976 1HD1 ILE 110 1HD1 ILE 110 -13.767 -9.963 0.759 1977 2HD1 ILE 110 2HD1 ILE 110 -12.516 -8.726 0.612 1978 3HD1 ILE 110 3HD1 ILE 110 -14.200 -8.254 0.836 1979 H TYR 111 H TYR 111 -15.481 -7.129 -3.414 1980 HA TYR 111 HA TYR 111 -14.635 -8.034 -6.082 1981 1HB TYR 111 HB2 TYR 111 -15.711 -5.291 -5.452 1982 2HB TYR 111 HB3 TYR 111 -15.651 -6.110 -7.005 1983 HD1 TYR 111 HD1 TYR 111 -17.342 -6.129 -3.701 1984 HD2 TYR 111 HD2 TYR 111 -17.496 -7.359 -7.769 1985 HE1 TYR 111 HE1 TYR 111 -19.668 -6.853 -3.384 1986 HE2 TYR 111 HE2 TYR 111 -19.825 -8.086 -7.465 1987 HH TYR 111 HH TYR 111 -21.459 -8.477 -5.983 1988 H ASN 112 H ASN 112 -12.853 -7.168 -7.057 1989 HA ASN 112 HA ASN 112 -11.225 -5.280 -5.470 1990 1HB ASN 112 2HB ASN 112 -10.491 -7.774 -6.764 1991 2HB ASN 112 3HB ASN 112 -9.571 -6.434 -7.435 1992 1HD2 ASN 112 1HD2 ASN 112 -7.954 -5.533 -6.246 1993 2HD2 ASN 112 2HD2 ASN 112 -7.507 -6.076 -4.667 1994 H SER 113 H SER 113 -10.554 -3.425 -6.508 1995 HA SER 113 HA SER 113 -12.134 -2.741 -8.786 1996 1HB SER 113 2HB SER 113 -11.257 -1.324 -6.665 1997 2HB SER 113 3HB SER 113 -10.075 -0.827 -7.875 1998 HG SER 113 HG SER 113 -12.899 -0.629 -8.028 1999 H GLU 114 H GLU 114 -11.622 -2.968 -10.801 2000 HA GLU 114 HA GLU 114 -8.888 -3.456 -11.645 2001 1HB GLU 114 2HB GLU 114 -11.562 -3.610 -12.943 2002 2HB GLU 114 3HB GLU 114 -10.168 -3.350 -13.985 2003 1HG GLU 114 2HG GLU 114 -9.944 -5.512 -11.988 2004 2HG GLU 114 3HG GLU 114 -11.076 -5.768 -13.313 2005 H GLY 115 H GLY 115 -10.355 -0.760 -10.808 2006 1HA GLY 115 1HA GLY 115 -9.151 0.846 -12.967 2007 2HA GLY 115 2HA GLY 115 -10.434 1.412 -11.906 2008 H GLY 116 H GLY 116 -9.932 2.297 -9.975 2009 1HA GLY 116 1HA GLY 116 -7.846 2.063 -8.304 2010 2HA GLY 116 2HA GLY 116 -7.161 3.046 -9.594 2011 H MET 117 H MET 117 -7.290 4.063 -7.059 2012 HA MET 117 HA MET 117 -9.622 5.450 -6.376 2013 1HB MET 117 2HB MET 117 -7.680 5.121 -4.868 2014 2HB MET 117 3HB MET 117 -6.770 6.284 -5.820 2015 1HG MET 117 2HG MET 117 -9.021 7.698 -5.211 2016 2HG MET 117 3HG MET 117 -8.799 6.715 -3.764 2017 1HE MET 117 1HE MET 117 -7.827 9.518 -5.920 2018 2HE MET 117 2HE MET 117 -8.283 10.258 -4.385 2019 3HE MET 117 3HE MET 117 -6.635 10.426 -4.989 2020 H ASP 118 H ASP 118 -6.934 6.364 -8.456 2021 HA ASP 118 HA ASP 118 -7.783 9.027 -8.919 2022 1HB ASP 118 2HB ASP 118 -6.190 8.938 -10.833 2023 2HB ASP 118 3HB ASP 118 -5.476 8.429 -9.308 2024 H LYS 119 H LYS 119 -8.734 5.958 -10.182 2025 HA LYS 119 HA LYS 119 -9.919 6.928 -12.595 2026 1HB LYS 119 2HB LYS 119 -9.617 4.376 -11.217 2027 2HB LYS 119 3HB LYS 119 -11.207 4.560 -11.949 2028 1HG LYS 119 2HG LYS 119 -9.222 3.514 -13.289 2029 2HG LYS 119 3HG LYS 119 -10.379 4.584 -14.079 2030 1HD LYS 119 2HD LYS 119 -8.846 6.460 -13.831 2031 2HD LYS 119 3HD LYS 119 -7.698 5.431 -12.967 2032 1HE LYS 119 2HE LYS 119 -6.913 4.530 -14.867 2033 2HE LYS 119 3HE LYS 119 -8.524 4.363 -15.563 2034 1HZ LYS 119 HZ1 LYS 119 -8.315 6.942 -15.803 2035 2HZ LYS 119 HZ2 LYS 119 -6.650 6.616 -15.735 2036 3HZ LYS 119 HZ3 LYS 119 -7.607 5.910 -16.945 2037 H TRP 120 H TRP 120 -10.929 6.475 -9.291 2038 HA TRP 120 HA TRP 120 -13.714 6.667 -9.605 2039 1HB TRP 120 HB2 TRP 120 -12.324 6.100 -7.499 2040 2HB TRP 120 HB3 TRP 120 -12.208 7.840 -7.270 2041 HD1 TRP 120 HD1 TRP 120 -14.367 9.119 -6.481 2042 HE1 TRP 120 HE1 TRP 120 -16.606 8.348 -5.482 2043 HE3 TRP 120 HE3 TRP 120 -14.050 4.132 -7.553 2044 HZ2 TRP 120 HZ2 TRP 120 -18.034 5.938 -5.159 2045 HZ3 TRP 120 HZ3 TRP 120 -15.894 2.658 -6.849 2046 HH2 TRP 120 HH2 TRP 120 -17.841 3.545 -5.677 2047 H LEU 121 H LEU 121 -11.273 9.191 -8.948 2048 HA LEU 121 HA LEU 121 -13.066 11.370 -9.142 2049 1HB LEU 121 2HB LEU 121 -10.105 11.007 -9.141 2050 2HB LEU 121 3HB LEU 121 -10.750 12.544 -9.677 2051 HG LEU 121 HG LEU 121 -11.509 11.376 -7.009 2052 1HD1 LEU 121 1HD1 LEU 121 -9.068 12.950 -7.758 2053 2HD1 LEU 121 2HD1 LEU 121 -9.735 12.967 -6.124 2054 3HD1 LEU 121 3HD1 LEU 121 -9.173 11.452 -6.832 2055 1HD2 LEU 121 1HD2 LEU 121 -11.826 13.959 -8.432 2056 2HD2 LEU 121 2HD2 LEU 121 -12.924 13.129 -7.329 2057 3HD2 LEU 121 3HD2 LEU 121 -11.540 14.017 -6.693 2058 H GLU 122 H GLU 122 -10.937 9.755 -11.452 2059 HA GLU 122 HA GLU 122 -11.127 11.610 -13.544 2060 1HB GLU 122 2HB GLU 122 -9.882 9.132 -13.088 2061 2HB GLU 122 3HB GLU 122 -10.858 8.917 -14.535 2062 1HG GLU 122 2HG GLU 122 -9.686 11.291 -15.070 2063 2HG GLU 122 3HG GLU 122 -8.431 10.507 -14.110 2064 H GLU 123 H GLU 123 -12.992 8.681 -12.908 2065 HA GLU 123 HA GLU 123 -14.619 9.097 -15.261 2066 1HB GLU 123 2HB GLU 123 -14.113 6.908 -13.450 2067 2HB GLU 123 3HB GLU 123 -15.842 7.104 -13.723 2068 1HG GLU 123 2HG GLU 123 -15.674 6.148 -15.705 2069 2HG GLU 123 3HG GLU 123 -14.499 7.355 -16.217 2070 H GLY 124 H GLY 124 -14.626 10.935 -12.830 2071 1HA GLY 124 1HA GLY 124 -16.141 12.451 -12.030 2072 2HA GLY 124 2HA GLY 124 -17.230 11.845 -13.263 2073 H LEU 125 H LEU 125 -16.076 9.643 -10.841 2074 HA LEU 125 HA LEU 125 -18.758 9.204 -9.913 2075 1HB LEU 125 2HB LEU 125 -16.118 8.112 -8.937 2076 2HB LEU 125 3HB LEU 125 -17.689 7.568 -8.382 2077 HG LEU 125 HG LEU 125 -16.848 7.409 -11.269 2078 1HD1 LEU 125 1HD1 LEU 125 -16.003 5.813 -9.003 2079 2HD1 LEU 125 2HD1 LEU 125 -16.790 4.854 -10.260 2080 3HD1 LEU 125 3HD1 LEU 125 -15.392 5.852 -10.659 2081 1HD2 LEU 125 1HD2 LEU 125 -19.085 6.239 -9.636 2082 2HD2 LEU 125 2HD2 LEU 125 -19.187 7.228 -11.094 2083 3HD2 LEU 125 3HD2 LEU 125 -18.604 5.565 -11.195 2084 HA PRO 126 HA PRO 126 -19.080 11.984 -6.533 2085 1HB PRO 126 2HB PRO 126 -20.022 10.334 -4.534 2086 2HB PRO 126 3HB PRO 126 -21.026 11.021 -5.817 2087 1HG PRO 126 2HG PRO 126 -19.734 8.315 -5.664 2088 2HG PRO 126 3HG PRO 126 -21.390 8.737 -6.159 2089 1HD PRO 126 2HD PRO 126 -19.552 8.209 -7.993 2090 2HD PRO 126 3HD PRO 126 -20.675 9.568 -8.235 2091 H SER 127 H SER 127 -17.268 12.757 -5.615 2092 HA SER 127 HA SER 127 -15.853 11.016 -3.718 2093 1HB SER 127 2HB SER 127 -13.921 12.728 -4.813 2094 2HB SER 127 3HB SER 127 -14.076 10.992 -5.099 2095 HG SER 127 HG SER 127 -15.615 11.619 -6.806 2096 H LEU 128 H LEU 128 -14.842 12.117 -1.998 2097 HA LEU 128 HA LEU 128 -16.063 14.656 -1.318 2098 1HB LEU 128 2HB LEU 128 -14.537 12.540 0.095 2099 2HB LEU 128 3HB LEU 128 -14.335 14.173 0.696 2100 HG LEU 128 HG LEU 128 -17.095 13.115 0.294 2101 1HD1 LEU 128 1HD1 LEU 128 -15.117 11.975 2.070 2102 2HD1 LEU 128 2HD1 LEU 128 -16.492 12.636 2.958 2103 3HD1 LEU 128 3HD1 LEU 128 -16.754 11.426 1.699 2104 1HD2 LEU 128 1HD2 LEU 128 -16.182 15.513 1.086 2105 2HD2 LEU 128 2HD2 LEU 128 -17.712 14.828 1.634 2106 3HD2 LEU 128 3HD2 LEU 128 -16.274 14.698 2.647 2107 H ASP 129 H ASP 129 -15.176 16.255 -2.458 2108 HA ASP 129 HA ASP 129 -12.255 16.606 -2.302 2109 1HB ASP 129 2HB ASP 129 -12.571 16.307 -4.597 2110 2HB ASP 129 3HB ASP 129 -14.168 17.044 -4.575 2111 H ARG 130 H ARG 130 -11.695 18.343 -1.152 2112 HA ARG 130 HA ARG 130 -13.800 20.069 -0.220 2113 1HB ARG 130 2HB ARG 130 -11.660 19.050 1.034 2114 2HB ARG 130 3HB ARG 130 -10.991 20.606 0.558 2115 1HG ARG 130 2HG ARG 130 -13.154 21.580 1.593 2116 2HG ARG 130 3HG ARG 130 -13.271 20.012 2.394 2117 1HD ARG 130 2HD ARG 130 -11.428 20.379 3.688 2118 2HD ARG 130 3HD ARG 130 -10.661 21.424 2.494 2119 HE ARG 130 HE ARG 130 -12.966 22.317 4.110 2120 1HH1 ARG 130 1HH1 ARG 130 -9.773 22.858 2.748 2121 2HH1 ARG 130 2HH1 ARG 130 -9.586 24.414 3.502 2122 1HH2 ARG 130 1HH2 ARG 130 -12.722 24.384 5.064 2123 2HH2 ARG 130 2HH2 ARG 130 -11.254 25.280 4.795 2124 H SER 131 H SER 131 -14.249 21.088 -2.237 2125 HA SER 131 HA SER 131 -12.349 22.854 -3.459 2126 1HB SER 131 2HB SER 131 -15.190 23.462 -3.870 2127 2HB SER 131 3HB SER 131 -13.945 23.063 -5.051 2128 HG SER 131 HG SER 131 -14.212 20.839 -4.409 2129 H HIS 132 H HIS 132 -13.075 25.306 -3.614 2130 HA HIS 132 HA HIS 132 -13.065 26.232 -0.886 2131 1HB HIS 132 2HB HIS 132 -11.877 27.202 -3.101 2132 2HB HIS 132 3HB HIS 132 -13.306 28.232 -3.056 2133 HD1 HIS 132 HD1 HIS 132 -11.493 30.173 -2.558 2134 HD2 HIS 132 HD2 HIS 132 -12.051 27.343 0.444 2135 HE1 HIS 132 HE1 HIS 132 -10.521 31.191 -0.468 2136 HE2 HIS 132 HE2 HIS 132 -10.980 29.511 1.359 2137 H HIS 133 H HIS 133 -15.321 25.028 -1.002 2138 HA HIS 133 HA HIS 133 -17.453 26.989 -1.472 2139 1HB HIS 133 2HB HIS 133 -17.772 24.635 -2.250 2140 2HB HIS 133 3HB HIS 133 -17.633 24.095 -0.583 2141 HD1 HIS 133 HD1 HIS 133 -19.945 25.878 -2.931 2142 HD2 HIS 133 HD2 HIS 133 -19.914 24.430 0.968 2143 HE1 HIS 133 HE1 HIS 133 -22.335 25.982 -2.146 2144 HE2 HIS 133 HE2 HIS 133 -22.314 24.959 0.158 2145 H HIS 134 H HIS 134 -18.194 28.174 0.204 2146 HA HIS 134 HA HIS 134 -16.969 28.045 2.743 2147 1HB HIS 134 2HB HIS 134 -18.944 29.713 1.449 2148 2HB HIS 134 3HB HIS 134 -19.422 29.366 3.107 2149 HD1 HIS 134 HD1 HIS 134 -17.818 30.224 5.007 2150 HD2 HIS 134 HD2 HIS 134 -16.790 31.414 1.156 2151 HE1 HIS 134 HE1 HIS 134 -16.156 32.088 5.293 2152 HE2 HIS 134 HE2 HIS 134 -15.670 32.899 2.957 2153 H HIS 135 H HIS 135 -17.132 26.258 3.902 2154 HA HIS 135 HA HIS 135 -19.807 25.293 4.646 2155 1HB HIS 135 2HB HIS 135 -18.982 23.983 2.696 2156 2HB HIS 135 3HB HIS 135 -17.565 23.525 3.632 2157 HD1 HIS 135 HD1 HIS 135 -21.332 23.097 3.672 2158 HD2 HIS 135 HD2 HIS 135 -17.890 21.284 5.151 2159 HE1 HIS 135 HE1 HIS 135 -22.092 20.939 4.727 2160 HE2 HIS 135 HE2 HIS 135 -19.973 19.772 5.434 2161 H HIS 136 H HIS 136 -19.826 25.483 6.779 2162 HA HIS 136 HA HIS 136 -17.527 25.480 8.427 2163 1HB HIS 136 2HB HIS 136 -19.388 26.663 9.257 2164 2HB HIS 136 3HB HIS 136 -20.485 25.322 8.964 2165 HD1 HIS 136 HD1 HIS 136 -21.265 24.369 11.087 2166 HD2 HIS 136 HD2 HIS 136 -17.317 25.661 11.347 2167 HE1 HIS 136 HE1 HIS 136 -20.526 23.829 13.432 2168 HE2 HIS 136 HE2 HIS 136 -18.209 24.809 13.621 2169 H HIS 137 H HIS 137 -16.308 23.803 8.871 2170 HA HIS 137 HA HIS 137 -17.583 21.269 9.587 2171 1HB HIS 137 2HB HIS 137 -16.653 21.292 7.158 2172 2HB HIS 137 3HB HIS 137 -15.072 21.260 7.931 2173 HD1 HIS 137 HD1 HIS 137 -14.243 19.048 8.807 2174 HD2 HIS 137 HD2 HIS 137 -18.239 18.936 7.649 2175 HE1 HIS 137 HE1 HIS 137 -14.897 16.617 8.850 2176 HE2 HIS 137 HE2 HIS 137 -17.253 16.558 7.946 Start of MODEL 10 1 1H ALA 1 H1 ALA 1 -23.037 -11.819 11.688 2 2H ALA 1 H2 ALA 1 -23.732 -11.701 13.231 3 3H ALA 1 H3 ALA 1 -24.680 -11.435 11.853 4 HA ALA 1 HA ALA 1 -23.160 -9.540 11.305 5 1HB ALA 1 1HB ALA 1 -24.996 -9.505 13.682 6 2HB ALA 1 2HB ALA 1 -24.250 -8.041 13.038 7 3HB ALA 1 3HB ALA 1 -25.330 -9.000 12.025 8 H ASP 2 H ASP 2 -22.967 -10.707 14.671 9 HA ASP 2 HA ASP 2 -20.752 -8.955 15.238 10 1HB ASP 2 2HB ASP 2 -22.639 -10.403 16.771 11 2HB ASP 2 3HB ASP 2 -21.020 -10.901 17.236 12 H MET 3 H MET 3 -19.583 -9.973 13.356 13 HA MET 3 HA MET 3 -18.040 -12.293 14.311 14 1HB MET 3 2HB MET 3 -19.261 -11.717 11.759 15 2HB MET 3 3HB MET 3 -17.526 -11.930 11.574 16 1HG MET 3 2HG MET 3 -18.673 -14.023 11.246 17 2HG MET 3 3HG MET 3 -17.675 -14.095 12.696 18 1HE MET 3 1HE MET 3 -19.531 -16.126 11.970 19 2HE MET 3 2HE MET 3 -20.851 -16.374 13.116 20 3HE MET 3 3HE MET 3 -21.139 -15.493 11.614 21 H GLY 4 H GLY 4 -17.855 -9.148 14.428 22 1HA GLY 4 1HA GLY 4 -15.545 -8.377 13.038 23 2HA GLY 4 2HA GLY 4 -16.189 -7.577 14.465 24 H GLU 5 H GLU 5 -15.948 -9.714 16.244 25 HA GLU 5 HA GLU 5 -13.231 -9.471 17.054 26 1HB GLU 5 2HB GLU 5 -15.292 -11.482 17.979 27 2HB GLU 5 3HB GLU 5 -13.805 -11.058 18.816 28 1HG GLU 5 2HG GLU 5 -15.062 -9.625 19.968 29 2HG GLU 5 3HG GLU 5 -15.021 -8.625 18.518 30 H LYS 6 H LYS 6 -15.039 -11.796 15.244 31 HA LYS 6 HA LYS 6 -13.258 -13.956 15.352 32 1HB LYS 6 2HB LYS 6 -15.151 -13.341 13.086 33 2HB LYS 6 3HB LYS 6 -14.506 -14.914 13.535 34 1HG LYS 6 2HG LYS 6 -15.924 -13.581 15.707 35 2HG LYS 6 3HG LYS 6 -16.930 -13.904 14.292 36 1HD LYS 6 2HD LYS 6 -15.869 -16.269 14.397 37 2HD LYS 6 3HD LYS 6 -15.473 -15.827 16.060 38 1HE LYS 6 2HE LYS 6 -17.869 -15.294 16.428 39 2HE LYS 6 3HE LYS 6 -18.212 -15.895 14.806 40 1HZ LYS 6 HZ1 LYS 6 -17.040 -18.013 15.643 41 2HZ LYS 6 HZ2 LYS 6 -17.351 -17.392 17.192 42 3HZ LYS 6 HZ3 LYS 6 -18.635 -17.712 16.131 43 H PHE 7 H PHE 7 -13.702 -11.636 12.625 44 HA PHE 7 HA PHE 7 -11.398 -12.786 11.376 45 1HB PHE 7 2HB PHE 7 -11.743 -10.925 9.656 46 2HB PHE 7 3HB PHE 7 -12.981 -12.156 9.807 47 HD1 PHE 7 HD1 PHE 7 -12.191 -8.777 11.202 48 HD2 PHE 7 HD2 PHE 7 -15.148 -11.469 9.745 49 HE1 PHE 7 HE1 PHE 7 -13.890 -7.009 11.388 50 HE2 PHE 7 HE2 PHE 7 -16.849 -9.701 9.920 51 HZ PHE 7 HZ PHE 7 -16.221 -7.466 10.741 52 H ASP 8 H ASP 8 -11.921 -10.028 13.389 53 HA ASP 8 HA ASP 8 -9.790 -8.383 12.732 54 1HB ASP 8 2HB ASP 8 -11.527 -7.832 14.415 55 2HB ASP 8 3HB ASP 8 -10.797 -8.986 15.524 56 H ALA 9 H ALA 9 -9.785 -11.062 15.078 57 HA ALA 9 HA ALA 9 -7.061 -10.872 15.751 58 1HB ALA 9 1HB ALA 9 -9.270 -12.708 16.252 59 2HB ALA 9 2HB ALA 9 -7.699 -13.505 16.180 60 3HB ALA 9 3HB ALA 9 -7.966 -12.183 17.317 61 H THR 10 H THR 10 -8.764 -12.851 13.366 62 HA THR 10 HA THR 10 -6.532 -14.393 12.644 63 HB THR 10 HB THR 10 -8.764 -13.928 10.711 64 HG1 THR 10 HG1 THR 10 -10.124 -14.373 12.293 65 1HG2 THR 10 1HG2 THR 10 -6.879 -16.112 11.458 66 2HG2 THR 10 2HG2 THR 10 -8.478 -16.567 10.866 67 3HG2 THR 10 3HG2 THR 10 -7.415 -15.580 9.862 68 H PHE 11 H PHE 11 -7.869 -11.416 11.209 69 HA PHE 11 HA PHE 11 -6.311 -11.371 8.904 70 1HB PHE 11 2HB PHE 11 -8.212 -9.735 9.877 71 2HB PHE 11 3HB PHE 11 -6.791 -8.766 10.255 72 HD1 PHE 11 HD1 PHE 11 -5.012 -8.980 8.095 73 HD2 PHE 11 HD2 PHE 11 -9.268 -8.989 7.980 74 HE1 PHE 11 HE1 PHE 11 -4.945 -8.154 5.781 75 HE2 PHE 11 HE2 PHE 11 -9.207 -8.162 5.661 76 HZ PHE 11 HZ PHE 11 -7.039 -7.744 4.559 77 H LYS 12 H LYS 12 -5.632 -10.069 12.100 78 HA LYS 12 HA LYS 12 -3.031 -9.072 11.545 79 1HB LYS 12 2HB LYS 12 -4.558 -8.530 13.528 80 2HB LYS 12 3HB LYS 12 -3.989 -10.037 14.231 81 1HG LYS 12 2HG LYS 12 -2.542 -8.554 15.189 82 2HG LYS 12 3HG LYS 12 -1.627 -9.002 13.749 83 1HD LYS 12 2HD LYS 12 -2.654 -6.996 12.615 84 2HD LYS 12 3HD LYS 12 -3.260 -6.513 14.201 85 1HE LYS 12 2HE LYS 12 -1.302 -5.569 14.658 86 2HE LYS 12 3HE LYS 12 -0.511 -7.136 14.487 87 1HZ LYS 12 HZ1 LYS 12 -0.962 -6.239 11.913 88 2HZ LYS 12 HZ2 LYS 12 -0.404 -4.881 12.767 89 3HZ LYS 12 HZ3 LYS 12 0.524 -6.297 12.733 90 H ALA 13 H ALA 13 -4.294 -12.214 12.186 91 HA ALA 13 HA ALA 13 -1.824 -13.429 13.000 92 1HB ALA 13 1HB ALA 13 -4.432 -14.625 12.064 93 2HB ALA 13 2HB ALA 13 -3.057 -15.559 12.661 94 3HB ALA 13 3HB ALA 13 -3.884 -14.427 13.731 95 H GLN 14 H GLN 14 -3.707 -13.275 9.994 96 HA GLN 14 HA GLN 14 -1.925 -14.949 8.537 97 1HB GLN 14 2HB GLN 14 -4.152 -13.090 7.734 98 2HB GLN 14 3HB GLN 14 -3.172 -13.917 6.530 99 1HG GLN 14 2HG GLN 14 -3.797 -16.072 7.551 100 2HG GLN 14 3HG GLN 14 -4.840 -15.209 8.672 101 1HE2 GLN 14 1HE2 GLN 14 -4.265 -15.566 5.182 102 2HE2 GLN 14 2HE2 GLN 14 -5.935 -15.498 4.732 103 H VAL 15 H VAL 15 -2.458 -11.432 8.508 104 HA VAL 15 HA VAL 15 -0.466 -10.770 6.679 105 HB VAL 15 HB VAL 15 -1.863 -9.263 8.835 106 1HG1 VAL 15 1HG1 VAL 15 0.590 -8.237 7.413 107 2HG1 VAL 15 2HG1 VAL 15 -0.576 -7.208 8.243 108 3HG1 VAL 15 3HG1 VAL 15 0.350 -8.402 9.153 109 1HG2 VAL 15 1HG2 VAL 15 -1.554 -9.015 5.851 110 2HG2 VAL 15 2HG2 VAL 15 -3.007 -9.392 6.775 111 3HG2 VAL 15 3HG2 VAL 15 -2.323 -7.768 6.832 112 H LYS 16 H LYS 16 -0.222 -11.462 10.097 113 HA LYS 16 HA LYS 16 2.354 -10.539 10.650 114 1HB LYS 16 2HB LYS 16 1.105 -11.234 12.500 115 2HB LYS 16 3HB LYS 16 0.661 -12.759 11.747 116 1HG LYS 16 2HG LYS 16 2.529 -13.801 12.441 117 2HG LYS 16 3HG LYS 16 3.536 -12.366 12.238 118 1HD LYS 16 2HD LYS 16 1.560 -12.053 14.344 119 2HD LYS 16 3HD LYS 16 2.648 -13.414 14.632 120 1HE LYS 16 2HE LYS 16 4.111 -11.129 13.673 121 2HE LYS 16 3HE LYS 16 3.155 -10.703 15.094 122 1HZ LYS 16 HZ1 LYS 16 4.916 -13.082 14.991 123 2HZ LYS 16 HZ2 LYS 16 5.442 -11.568 15.547 124 3HZ LYS 16 HZ3 LYS 16 4.189 -12.381 16.357 125 H ALA 17 H ALA 17 1.267 -13.516 9.115 126 HA ALA 17 HA ALA 17 3.727 -14.891 9.118 127 1HB ALA 17 1HB ALA 17 1.109 -15.292 8.079 128 2HB ALA 17 2HB ALA 17 2.280 -15.632 6.806 129 3HB ALA 17 3HB ALA 17 2.385 -16.479 8.350 130 H ALA 18 H ALA 18 2.518 -12.323 7.135 131 HA ALA 18 HA ALA 18 4.321 -12.684 4.949 132 1HB ALA 18 1HB ALA 18 2.123 -11.395 4.932 133 2HB ALA 18 2HB ALA 18 3.020 -10.084 5.697 134 3HB ALA 18 3HB ALA 18 3.493 -10.660 4.099 135 H LYS 19 H LYS 19 4.462 -11.030 8.038 136 HA LYS 19 HA LYS 19 6.931 -9.644 7.465 137 1HB LYS 19 2HB LYS 19 5.637 -10.207 10.138 138 2HB LYS 19 3HB LYS 19 6.896 -9.026 9.808 139 1HG LYS 19 2HG LYS 19 5.061 -8.118 8.116 140 2HG LYS 19 3HG LYS 19 3.985 -8.905 9.273 141 1HD LYS 19 2HD LYS 19 6.089 -6.846 9.950 142 2HD LYS 19 3HD LYS 19 4.357 -6.534 9.819 143 1HE LYS 19 2HE LYS 19 3.972 -8.176 11.632 144 2HE LYS 19 3HE LYS 19 5.717 -8.360 11.798 145 1HZ LYS 19 HZ1 LYS 19 5.800 -5.915 12.242 146 2HZ LYS 19 HZ2 LYS 19 4.103 -5.931 12.325 147 3HZ LYS 19 HZ3 LYS 19 5.012 -6.830 13.434 148 H ALA 20 H ALA 20 5.914 -12.722 8.459 149 HA ALA 20 HA ALA 20 8.327 -13.521 9.815 150 1HB ALA 20 1HB ALA 20 5.732 -14.667 9.320 151 2HB ALA 20 2HB ALA 20 7.007 -15.835 8.970 152 3HB ALA 20 3HB ALA 20 6.920 -15.075 10.560 153 H ASP 21 H ASP 21 7.271 -13.318 6.567 154 HA ASP 21 HA ASP 21 8.959 -15.347 5.479 155 1HB ASP 21 2HB ASP 21 6.783 -14.055 4.558 156 2HB ASP 21 3HB ASP 21 8.036 -13.128 3.741 157 H MET 22 H MET 22 9.670 -12.271 6.656 158 HA MET 22 HA MET 22 12.112 -12.175 5.010 159 1HB MET 22 2HB MET 22 10.063 -10.132 5.485 160 2HB MET 22 3HB MET 22 11.701 -9.570 5.780 161 1HG MET 22 2HG MET 22 12.215 -9.541 3.607 162 2HG MET 22 3HG MET 22 11.392 -11.067 3.290 163 1HE MET 22 1HE MET 22 8.626 -10.537 4.471 164 2HE MET 22 2HE MET 22 7.637 -9.770 3.227 165 3HE MET 22 3HE MET 22 8.620 -11.179 2.829 166 H VAL 23 H VAL 23 13.774 -10.684 6.048 167 HA VAL 23 HA VAL 23 14.102 -11.406 8.854 168 HB VAL 23 HB VAL 23 15.954 -9.759 7.112 169 1HG1 VAL 23 1HG1 VAL 23 16.090 -10.825 9.879 170 2HG1 VAL 23 2HG1 VAL 23 17.574 -10.817 8.925 171 3HG1 VAL 23 3HG1 VAL 23 16.702 -9.310 9.215 172 1HG2 VAL 23 1HG2 VAL 23 15.367 -12.460 6.808 173 2HG2 VAL 23 2HG2 VAL 23 16.764 -11.601 6.162 174 3HG2 VAL 23 3HG2 VAL 23 16.881 -12.431 7.713 175 H MET 24 H MET 24 13.012 -10.158 10.230 176 HA MET 24 HA MET 24 12.139 -7.538 9.517 177 1HB MET 24 2HB MET 24 11.833 -9.284 11.934 178 2HB MET 24 3HB MET 24 11.365 -7.593 12.012 179 1HG MET 24 2HG MET 24 10.052 -9.856 10.713 180 2HG MET 24 3HG MET 24 9.377 -8.358 11.348 181 1HE MET 24 1HE MET 24 7.906 -7.203 9.767 182 2HE MET 24 2HE MET 24 9.245 -6.072 9.956 183 3HE MET 24 3HE MET 24 8.556 -6.364 8.359 184 H LEU 25 H LEU 25 13.636 -5.988 9.404 185 HA LEU 25 HA LEU 25 15.432 -5.660 11.719 186 1HB LEU 25 2HB LEU 25 15.904 -5.485 8.795 187 2HB LEU 25 3HB LEU 25 16.752 -4.338 9.812 188 HG LEU 25 HG LEU 25 16.996 -7.333 9.785 189 1HD1 LEU 25 1HD1 LEU 25 18.501 -5.098 8.787 190 2HD1 LEU 25 2HD1 LEU 25 19.467 -6.035 9.930 191 3HD1 LEU 25 3HD1 LEU 25 18.747 -6.826 8.527 192 1HD2 LEU 25 1HD2 LEU 25 16.782 -6.567 12.129 193 2HD2 LEU 25 2HD2 LEU 25 18.380 -7.212 11.759 194 3HD2 LEU 25 3HD2 LEU 25 18.135 -5.468 11.866 195 H SER 26 H SER 26 15.679 -3.685 12.587 196 HA SER 26 HA SER 26 13.650 -1.724 12.114 197 1HB SER 26 2HB SER 26 15.812 -0.746 13.745 198 2HB SER 26 3HB SER 26 14.178 -1.202 14.238 199 HG SER 26 HG SER 26 16.460 -2.487 14.721 200 HA PRO 27 HA PRO 27 15.304 0.728 8.868 201 1HB PRO 27 2HB PRO 27 15.022 3.221 10.224 202 2HB PRO 27 3HB PRO 27 13.928 2.499 9.042 203 1HG PRO 27 2HG PRO 27 13.822 2.435 12.011 204 2HG PRO 27 3HG PRO 27 12.498 2.421 10.833 205 1HD PRO 27 2HD PRO 27 13.139 0.202 12.132 206 2HD PRO 27 3HD PRO 27 12.752 0.133 10.405 207 H LYS 28 H LYS 28 16.608 1.320 12.130 208 HA LYS 28 HA LYS 28 18.857 2.810 11.172 209 1HB LYS 28 2HB LYS 28 19.738 2.136 13.536 210 2HB LYS 28 3HB LYS 28 18.436 3.305 13.382 211 1HG LYS 28 2HG LYS 28 16.871 1.878 14.238 212 2HG LYS 28 3HG LYS 28 17.736 0.435 13.703 213 1HD LYS 28 2HD LYS 28 18.321 0.263 15.871 214 2HD LYS 28 3HD LYS 28 19.518 1.489 15.451 215 1HE LYS 28 2HE LYS 28 18.346 2.131 17.470 216 2HE LYS 28 3HE LYS 28 17.948 3.242 16.159 217 1HZ LYS 28 HZ1 LYS 28 16.232 0.933 16.877 218 2HZ LYS 28 HZ2 LYS 28 16.038 2.472 17.572 219 3HZ LYS 28 HZ3 LYS 28 15.836 2.269 15.899 220 H ASP 29 H ASP 29 18.277 -0.531 12.123 221 HA ASP 29 HA ASP 29 20.970 -1.412 11.698 222 1HB ASP 29 2HB ASP 29 18.683 -2.524 12.837 223 2HB ASP 29 3HB ASP 29 18.959 -3.495 11.389 224 H ALA 30 H ALA 30 18.079 -1.136 9.821 225 HA ALA 30 HA ALA 30 18.929 -2.644 7.570 226 1HB ALA 30 1HB ALA 30 16.562 -2.055 8.013 227 2HB ALA 30 2HB ALA 30 16.942 -0.376 7.621 228 3HB ALA 30 3HB ALA 30 17.094 -1.626 6.386 229 H TYR 31 H TYR 31 18.985 0.820 8.354 230 HA TYR 31 HA TYR 31 20.277 1.664 5.985 231 1HB TYR 31 HB2 TYR 31 19.147 3.309 7.260 232 2HB TYR 31 HB3 TYR 31 20.001 2.869 8.730 233 HD1 TYR 31 HD1 TYR 31 20.608 4.267 5.326 234 HD2 TYR 31 HD2 TYR 31 21.834 4.121 9.400 235 HE1 TYR 31 HE1 TYR 31 22.244 6.052 4.894 236 HE2 TYR 31 HE2 TYR 31 23.477 5.899 8.980 237 HH TYR 31 HH TYR 31 24.470 6.821 5.957 238 H LYS 32 H LYS 32 21.445 0.336 8.989 239 HA LYS 32 HA LYS 32 24.133 1.082 8.887 240 1HB LYS 32 2HB LYS 32 23.241 0.062 10.870 241 2HB LYS 32 3HB LYS 32 22.801 -1.396 9.992 242 1HG LYS 32 2HG LYS 32 25.527 -1.171 9.580 243 2HG LYS 32 3HG LYS 32 25.303 -0.674 11.258 244 1HD LYS 32 2HD LYS 32 23.713 -3.008 10.609 245 2HD LYS 32 3HD LYS 32 25.428 -3.280 10.292 246 1HE LYS 32 2HE LYS 32 25.463 -3.821 12.482 247 2HE LYS 32 3HE LYS 32 25.585 -2.074 12.689 248 1HZ LYS 32 HZ1 LYS 32 22.922 -3.320 12.545 249 2HZ LYS 32 HZ2 LYS 32 23.803 -3.429 13.988 250 3HZ LYS 32 HZ3 LYS 32 23.408 -1.908 13.353 251 H LEU 33 H LEU 33 22.593 -1.887 7.624 252 HA LEU 33 HA LEU 33 25.002 -2.734 6.323 253 1HB LEU 33 2HB LEU 33 23.235 -4.258 5.084 254 2HB LEU 33 3HB LEU 33 23.751 -4.585 6.726 255 HG LEU 33 HG LEU 33 21.569 -2.921 7.068 256 1HD1 LEU 33 1HD1 LEU 33 21.283 -3.510 4.502 257 2HD1 LEU 33 2HD1 LEU 33 20.585 -4.986 5.172 258 3HD1 LEU 33 3HD1 LEU 33 19.899 -3.416 5.594 259 1HD2 LEU 33 1HD2 LEU 33 22.442 -5.418 7.851 260 2HD2 LEU 33 2HD2 LEU 33 20.983 -4.600 8.408 261 3HD2 LEU 33 3HD2 LEU 33 20.896 -5.744 7.069 262 H LEU 34 H LEU 34 22.299 -0.758 5.470 263 HA LEU 34 HA LEU 34 22.457 -0.877 2.664 264 1HB LEU 34 2HB LEU 34 21.442 1.184 4.596 265 2HB LEU 34 3HB LEU 34 21.471 1.514 2.875 266 HG LEU 34 HG LEU 34 20.009 -0.804 4.135 267 1HD1 LEU 34 1HD1 LEU 34 19.177 1.517 4.723 268 2HD1 LEU 34 2HD1 LEU 34 18.786 1.698 3.012 269 3HD1 LEU 34 3HD1 LEU 34 18.017 0.428 3.963 270 1HD2 LEU 34 1HD2 LEU 34 20.446 0.138 1.360 271 2HD2 LEU 34 2HD2 LEU 34 20.256 -1.500 1.987 272 3HD2 LEU 34 3HD2 LEU 34 18.841 -0.467 1.773 273 H GLN 35 H GLN 35 23.799 1.534 4.919 274 HA GLN 35 HA GLN 35 25.150 2.895 2.823 275 1HB GLN 35 2HB GLN 35 25.848 4.435 4.453 276 2HB GLN 35 3HB GLN 35 24.264 3.891 4.982 277 1HG GLN 35 2HG GLN 35 25.066 3.116 6.895 278 2HG GLN 35 3HG GLN 35 26.383 2.265 6.088 279 1HE2 GLN 35 1HE2 GLN 35 28.217 3.638 5.384 280 2HE2 GLN 35 2HE2 GLN 35 28.696 4.948 6.409 281 H GLU 36 H GLU 36 26.111 0.355 5.034 282 HA GLU 36 HA GLU 36 28.924 0.779 4.653 283 1HB GLU 36 2HB GLU 36 27.226 -1.239 6.051 284 2HB GLU 36 3HB GLU 36 28.893 -1.662 5.679 285 1HG GLU 36 2HG GLU 36 29.449 0.605 6.797 286 2HG GLU 36 3HG GLU 36 27.841 0.452 7.500 287 H ASN 37 H ASN 37 26.430 -1.225 3.272 288 HA ASN 37 HA ASN 37 28.395 -2.293 1.354 289 1HB ASN 37 2HB ASN 37 25.844 -3.537 2.401 290 2HB ASN 37 3HB ASN 37 26.763 -4.179 1.048 291 1HD2 ASN 37 1HD2 ASN 37 26.387 -4.130 4.389 292 2HD2 ASN 37 2HD2 ASN 37 27.805 -5.018 4.818 293 HA PRO 38 HA PRO 38 25.873 0.695 -0.969 294 1HB PRO 38 2HB PRO 38 28.006 0.109 -2.959 295 2HB PRO 38 3HB PRO 38 27.388 1.665 -2.393 296 1HG PRO 38 2HG PRO 38 29.749 0.779 -1.560 297 2HG PRO 38 3HG PRO 38 28.644 1.596 -0.435 298 1HD PRO 38 2HD PRO 38 29.224 -1.327 -0.739 299 2HD PRO 38 3HD PRO 38 28.986 -0.372 0.739 300 H ASP 39 H ASP 39 26.348 -2.589 -1.493 301 HA ASP 39 HA ASP 39 24.869 -2.569 -4.010 302 1HB ASP 39 2HB ASP 39 26.963 -4.082 -3.469 303 2HB ASP 39 3HB ASP 39 25.751 -5.112 -2.711 304 H ILE 40 H ILE 40 24.437 -2.988 -0.657 305 HA ILE 40 HA ILE 40 21.953 -4.462 -0.869 306 HB ILE 40 HB ILE 40 23.072 -2.919 1.480 307 1HG1 ILE 40 2HG1 ILE 40 23.209 -5.850 0.745 308 2HG1 ILE 40 3HG1 ILE 40 24.560 -4.738 0.937 309 1HG2 ILE 40 1HG2 ILE 40 20.763 -4.839 1.248 310 2HG2 ILE 40 2HG2 ILE 40 21.454 -4.307 2.780 311 3HG2 ILE 40 3HG2 ILE 40 20.702 -3.135 1.697 312 1HD1 ILE 40 1HD1 ILE 40 23.769 -4.524 3.369 313 2HD1 ILE 40 2HD1 ILE 40 22.836 -5.985 3.038 314 3HD1 ILE 40 3HD1 ILE 40 24.593 -6.005 2.879 315 H THR 41 H THR 41 20.347 -3.479 -1.848 316 HA THR 41 HA THR 41 20.130 -0.570 -1.714 317 HB THR 41 HB THR 41 18.305 -2.156 -3.441 318 HG1 THR 41 HG1 THR 41 20.909 -2.688 -3.390 319 1HG2 THR 41 1HG2 THR 41 18.998 0.493 -3.219 320 2HG2 THR 41 2HG2 THR 41 19.957 -0.043 -4.600 321 3HG2 THR 41 3HG2 THR 41 18.204 -0.245 -4.610 322 H LEU 42 H LEU 42 18.243 0.523 -1.082 323 HA LEU 42 HA LEU 42 16.278 -1.131 0.356 324 1HB LEU 42 2HB LEU 42 17.279 0.529 1.809 325 2HB LEU 42 3HB LEU 42 16.976 1.795 0.633 326 HG LEU 42 HG LEU 42 14.456 1.085 0.998 327 1HD1 LEU 42 1HD1 LEU 42 15.671 -0.616 2.798 328 2HD1 LEU 42 2HD1 LEU 42 15.088 0.712 3.801 329 3HD1 LEU 42 3HD1 LEU 42 13.965 -0.168 2.768 330 1HD2 LEU 42 1HD2 LEU 42 15.861 3.228 1.639 331 2HD2 LEU 42 2HD2 LEU 42 14.214 2.982 2.227 332 3HD2 LEU 42 3HD2 LEU 42 15.588 2.615 3.272 333 H ILE 43 H ILE 43 14.277 -1.264 -0.433 334 HA ILE 43 HA ILE 43 13.534 0.607 -2.585 335 HB ILE 43 HB ILE 43 12.939 -2.312 -2.232 336 1HG1 ILE 43 2HG1 ILE 43 13.218 -1.482 -4.930 337 2HG1 ILE 43 3HG1 ILE 43 14.467 -0.659 -3.999 338 1HG2 ILE 43 1HG2 ILE 43 10.891 -0.545 -2.745 339 2HG2 ILE 43 2HG2 ILE 43 11.395 -1.050 -4.358 340 3HG2 ILE 43 3HG2 ILE 43 10.908 -2.258 -3.168 341 1HD1 ILE 43 1HD1 ILE 43 14.033 -3.590 -3.676 342 2HD1 ILE 43 2HD1 ILE 43 14.959 -2.964 -5.039 343 3HD1 ILE 43 3HD1 ILE 43 15.485 -2.634 -3.388 344 H ASP 44 H ASP 44 12.005 1.981 -2.093 345 HA ASP 44 HA ASP 44 10.355 1.468 0.269 346 1HB ASP 44 2HB ASP 44 11.215 3.584 0.564 347 2HB ASP 44 3HB ASP 44 11.271 3.913 -1.162 348 H VAL 45 H VAL 45 8.176 1.337 0.195 349 HA VAL 45 HA VAL 45 6.902 1.699 -2.431 350 HB VAL 45 HB VAL 45 5.313 -0.114 -0.946 351 1HG1 VAL 45 1HG1 VAL 45 6.383 0.198 -3.546 352 2HG1 VAL 45 2HG1 VAL 45 6.712 -1.456 -3.028 353 3HG1 VAL 45 3HG1 VAL 45 5.058 -0.844 -3.023 354 1HG2 VAL 45 1HG2 VAL 45 7.886 -0.460 -0.061 355 2HG2 VAL 45 2HG2 VAL 45 6.618 -1.686 -0.030 356 3HG2 VAL 45 3HG2 VAL 45 7.767 -1.639 -1.368 357 H ARG 46 H ARG 46 6.151 3.687 -1.986 358 HA ARG 46 HA ARG 46 3.901 3.883 -0.176 359 1HB ARG 46 2HB ARG 46 6.151 4.555 1.002 360 2HB ARG 46 3HB ARG 46 6.005 6.015 0.036 361 1HG ARG 46 2HG ARG 46 5.035 6.613 2.047 362 2HG ARG 46 3HG ARG 46 3.643 6.195 1.048 363 1HD ARG 46 2HD ARG 46 3.134 4.373 2.287 364 2HD ARG 46 3HD ARG 46 4.823 3.980 2.595 365 HE ARG 46 HE ARG 46 4.665 5.087 4.575 366 1HH1 ARG 46 1HH1 ARG 46 2.021 6.176 2.524 367 2HH1 ARG 46 2HH1 ARG 46 1.336 7.196 3.766 368 1HH2 ARG 46 1HH2 ARG 46 3.700 6.409 6.202 369 2HH2 ARG 46 2HH2 ARG 46 2.265 7.310 5.817 370 H ASP 47 H ASP 47 2.738 6.002 -0.550 371 HA ASP 47 HA ASP 47 2.819 6.500 -3.399 372 1HB ASP 47 2HB ASP 47 0.848 7.069 -1.218 373 2HB ASP 47 3HB ASP 47 0.742 7.953 -2.741 374 HA PRO 48 HA PRO 48 5.446 9.804 -3.397 375 1HB PRO 48 2HB PRO 48 4.309 11.345 -5.437 376 2HB PRO 48 3HB PRO 48 5.444 10.007 -5.635 377 1HG PRO 48 2HG PRO 48 2.473 10.030 -5.863 378 2HG PRO 48 3HG PRO 48 3.667 9.107 -6.796 379 1HD PRO 48 2HD PRO 48 2.205 7.940 -4.889 380 2HD PRO 48 3HD PRO 48 3.912 7.506 -5.128 381 H ASP 49 H ASP 49 2.109 10.659 -2.847 382 HA ASP 49 HA ASP 49 2.703 13.452 -2.461 383 1HB ASP 49 2HB ASP 49 0.325 11.898 -2.621 384 2HB ASP 49 3HB ASP 49 0.289 12.810 -1.110 385 H GLU 50 H GLU 50 2.322 10.660 -0.329 386 HA GLU 50 HA GLU 50 2.677 12.207 2.065 387 1HB GLU 50 2HB GLU 50 1.821 9.627 1.529 388 2HB GLU 50 3HB GLU 50 3.402 9.384 2.260 389 1HG GLU 50 2HG GLU 50 2.708 10.024 4.293 390 2HG GLU 50 3HG GLU 50 1.698 11.320 3.655 391 H LEU 51 H LEU 51 4.720 10.364 -0.128 392 HA LEU 51 HA LEU 51 7.120 10.399 1.336 393 1HB LEU 51 2HB LEU 51 6.291 9.523 -1.163 394 2HB LEU 51 3HB LEU 51 7.484 10.757 -1.527 395 HG LEU 51 HG LEU 51 9.000 9.499 0.135 396 1HD1 LEU 51 1HD1 LEU 51 6.631 7.881 0.186 397 2HD1 LEU 51 2HD1 LEU 51 8.010 6.941 -0.389 398 3HD1 LEU 51 3HD1 LEU 51 8.091 7.762 1.169 399 1HD2 LEU 51 1HD2 LEU 51 8.602 9.325 -2.616 400 2HD2 LEU 51 2HD2 LEU 51 10.023 8.802 -1.710 401 3HD2 LEU 51 3HD2 LEU 51 8.733 7.654 -2.067 402 H LYS 52 H LYS 52 5.796 12.650 -1.017 403 HA LYS 52 HA LYS 52 7.985 14.426 -1.037 404 1HB LYS 52 2HB LYS 52 5.349 14.313 -2.207 405 2HB LYS 52 3HB LYS 52 5.698 15.942 -1.644 406 1HG LYS 52 2HG LYS 52 6.881 16.292 -3.479 407 2HG LYS 52 3HG LYS 52 8.010 15.034 -2.969 408 1HD LYS 52 2HD LYS 52 7.335 13.726 -4.633 409 2HD LYS 52 3HD LYS 52 5.674 13.795 -4.038 410 1HE LYS 52 2HE LYS 52 6.623 16.174 -5.498 411 2HE LYS 52 3HE LYS 52 6.452 14.704 -6.456 412 1HZ LYS 52 HZ1 LYS 52 4.152 14.585 -5.296 413 2HZ LYS 52 HZ2 LYS 52 4.388 16.245 -5.031 414 3HZ LYS 52 HZ3 LYS 52 4.370 15.627 -6.612 415 H ALA 53 H ALA 53 5.098 14.266 0.959 416 HA ALA 53 HA ALA 53 5.506 16.852 2.108 417 1HB ALA 53 1HB ALA 53 3.445 14.863 2.081 418 2HB ALA 53 2HB ALA 53 3.732 15.416 3.730 419 3HB ALA 53 3HB ALA 53 3.339 16.580 2.465 420 H MET 54 H MET 54 5.841 13.520 3.381 421 HA MET 54 HA MET 54 6.832 14.621 5.878 422 1HB MET 54 2HB MET 54 5.910 11.959 4.932 423 2HB MET 54 3HB MET 54 7.005 11.998 6.307 424 1HG MET 54 2HG MET 54 5.175 13.904 6.978 425 2HG MET 54 3HG MET 54 4.187 12.722 6.125 426 1HE MET 54 1HE MET 54 3.031 11.344 7.043 427 2HE MET 54 2HE MET 54 3.519 10.035 8.120 428 3HE MET 54 3HE MET 54 2.817 11.510 8.787 429 H GLY 55 H GLY 55 8.116 12.724 3.197 430 1HA GLY 55 1HA GLY 55 10.509 13.304 2.764 431 2HA GLY 55 2HA GLY 55 10.753 12.923 4.458 432 H LYS 56 H LYS 56 12.314 11.667 2.792 433 HA LYS 56 HA LYS 56 11.472 8.882 2.959 434 1HB LYS 56 2HB LYS 56 12.218 8.457 0.614 435 2HB LYS 56 3HB LYS 56 10.784 9.469 0.706 436 1HG LYS 56 2HG LYS 56 12.934 11.249 0.707 437 2HG LYS 56 3HG LYS 56 13.342 10.017 -0.489 438 1HD LYS 56 2HD LYS 56 11.831 10.800 -1.929 439 2HD LYS 56 3HD LYS 56 10.570 10.800 -0.698 440 1HE LYS 56 2HE LYS 56 12.664 12.950 -0.818 441 2HE LYS 56 3HE LYS 56 11.188 13.041 -1.778 442 1HZ LYS 56 HZ1 LYS 56 10.038 12.633 0.487 443 2HZ LYS 56 HZ2 LYS 56 11.505 13.166 1.146 444 3HZ LYS 56 HZ3 LYS 56 10.621 14.183 0.127 445 HA PRO 57 HA PRO 57 15.677 8.263 4.118 446 1HB PRO 57 2HB PRO 57 16.563 6.166 2.572 447 2HB PRO 57 3HB PRO 57 15.581 5.994 4.032 448 1HG PRO 57 2HG PRO 57 14.746 5.937 1.162 449 2HG PRO 57 3HG PRO 57 14.159 4.960 2.520 450 1HD PRO 57 2HD PRO 57 12.760 7.045 1.535 451 2HD PRO 57 3HD PRO 57 12.735 6.616 3.259 452 H ASP 58 H ASP 58 17.313 9.578 3.657 453 HA ASP 58 HA ASP 58 17.962 10.142 0.861 454 1HB ASP 58 2HB ASP 58 17.664 12.055 2.436 455 2HB ASP 58 3HB ASP 58 19.043 11.467 3.359 456 H VAL 59 H VAL 59 18.799 7.886 0.737 457 HA VAL 59 HA VAL 59 21.560 7.767 1.750 458 HB VAL 59 HB VAL 59 21.466 5.393 1.844 459 1HG1 VAL 59 1HG1 VAL 59 20.348 6.647 3.695 460 2HG1 VAL 59 2HG1 VAL 59 18.803 6.316 2.909 461 3HG1 VAL 59 3HG1 VAL 59 19.797 4.983 3.500 462 1HG2 VAL 59 1HG2 VAL 59 19.090 5.718 0.119 463 2HG2 VAL 59 2HG2 VAL 59 20.350 4.482 0.102 464 3HG2 VAL 59 3HG2 VAL 59 19.045 4.396 1.285 465 H LYS 60 H LYS 60 22.890 6.178 0.271 466 HA LYS 60 HA LYS 60 22.845 7.458 -2.313 467 1HB LYS 60 2HB LYS 60 24.768 5.290 -2.061 468 2HB LYS 60 3HB LYS 60 25.034 6.987 -2.415 469 1HG LYS 60 2HG LYS 60 26.094 7.002 -0.456 470 2HG LYS 60 3HG LYS 60 24.479 7.076 0.246 471 1HD LYS 60 2HD LYS 60 24.902 5.151 1.288 472 2HD LYS 60 3HD LYS 60 24.979 4.361 -0.287 473 1HE LYS 60 2HE LYS 60 27.239 5.530 1.318 474 2HE LYS 60 3HE LYS 60 27.010 3.853 0.828 475 1HZ LYS 60 HZ1 LYS 60 27.222 4.664 -1.521 476 2HZ LYS 60 HZ2 LYS 60 27.716 6.164 -0.893 477 3HZ LYS 60 HZ3 LYS 60 28.637 4.771 -0.589 478 H ASN 61 H ASN 61 21.864 4.420 -1.018 479 HA ASN 61 HA ASN 61 21.371 3.442 -3.745 480 1HB ASN 61 2HB ASN 61 21.614 1.111 -2.630 481 2HB ASN 61 3HB ASN 61 23.060 2.018 -3.037 482 1HD2 ASN 61 1HD2 ASN 61 23.701 0.258 -1.448 483 2HD2 ASN 61 2HD2 ASN 61 23.764 0.713 0.216 484 H TYR 62 H TYR 62 19.335 4.680 -3.211 485 HA TYR 62 HA TYR 62 17.386 2.747 -2.180 486 1HB TYR 62 HB2 TYR 62 17.165 4.160 -0.401 487 2HB TYR 62 HB3 TYR 62 17.855 5.525 -1.267 488 HD1 TYR 62 HD1 TYR 62 14.736 3.488 -1.051 489 HD2 TYR 62 HD2 TYR 62 16.474 7.266 -1.938 490 HE1 TYR 62 HE1 TYR 62 12.498 4.461 -1.278 491 HE2 TYR 62 HE2 TYR 62 14.233 8.251 -2.163 492 HH TYR 62 HH TYR 62 11.313 6.358 -1.479 493 H LYS 63 H LYS 63 15.550 2.570 -3.402 494 HA LYS 63 HA LYS 63 15.119 4.554 -5.506 495 1HB LYS 63 2HB LYS 63 14.358 2.034 -6.584 496 2HB LYS 63 3HB LYS 63 15.518 3.192 -7.208 497 1HG LYS 63 2HG LYS 63 17.275 2.149 -5.880 498 2HG LYS 63 3HG LYS 63 16.106 0.974 -5.263 499 1HD LYS 63 2HD LYS 63 16.006 -0.161 -7.231 500 2HD LYS 63 3HD LYS 63 16.265 1.294 -8.197 501 1HE LYS 63 2HE LYS 63 18.582 0.598 -6.589 502 2HE LYS 63 3HE LYS 63 18.111 -0.698 -7.689 503 1HZ LYS 63 HZ1 LYS 63 18.123 0.991 -9.497 504 2HZ LYS 63 HZ2 LYS 63 18.779 2.109 -8.405 505 3HZ LYS 63 HZ3 LYS 63 19.648 0.709 -8.812 506 H HIS 64 H HIS 64 13.053 5.076 -5.829 507 HA HIS 64 HA HIS 64 11.064 3.794 -4.111 508 1HB HIS 64 2HB HIS 64 11.231 6.239 -4.032 509 2HB HIS 64 3HB HIS 64 10.958 6.332 -5.766 510 HD1 HIS 64 HD1 HIS 64 8.833 7.722 -5.601 511 HD2 HIS 64 HD2 HIS 64 8.639 4.153 -3.470 512 HE1 HIS 64 HE1 HIS 64 6.426 7.455 -4.945 513 HE2 HIS 64 HE2 HIS 64 6.385 5.428 -3.458 514 H MET 65 H MET 65 9.902 2.166 -4.960 515 HA MET 65 HA MET 65 9.498 2.086 -7.867 516 1HB MET 65 2HB MET 65 10.049 0.095 -5.892 517 2HB MET 65 3HB MET 65 8.463 -0.236 -6.579 518 1HG MET 65 2HG MET 65 9.387 -1.101 -8.383 519 2HG MET 65 3HG MET 65 10.254 0.400 -8.697 520 1HE MET 65 1HE MET 65 11.960 0.816 -6.348 521 2HE MET 65 2HE MET 65 13.413 -0.188 -6.374 522 3HE MET 65 3HE MET 65 12.966 0.756 -7.794 523 H SER 66 H SER 66 7.292 1.088 -8.467 524 HA SER 66 HA SER 66 5.216 2.725 -7.356 525 1HB SER 66 2HB SER 66 4.660 0.400 -9.157 526 2HB SER 66 3HB SER 66 3.926 2.004 -9.139 527 HG SER 66 HG SER 66 5.880 2.835 -9.978 528 H ARG 67 H ARG 67 3.077 1.562 -6.735 529 HA ARG 67 HA ARG 67 3.820 -0.273 -4.602 530 1HB ARG 67 2HB ARG 67 1.280 1.270 -5.141 531 2HB ARG 67 3HB ARG 67 1.508 0.200 -3.764 532 1HG ARG 67 2HG ARG 67 2.260 1.978 -2.666 533 2HG ARG 67 3HG ARG 67 3.708 1.869 -3.668 534 1HD ARG 67 2HD ARG 67 1.343 3.280 -4.782 535 2HD ARG 67 3HD ARG 67 2.259 4.089 -3.512 536 HE ARG 67 HE ARG 67 4.151 3.281 -5.299 537 1HH1 ARG 67 1HH1 ARG 67 1.279 5.286 -5.432 538 2HH1 ARG 67 2HH1 ARG 67 1.830 6.193 -6.814 539 1HH2 ARG 67 1HH2 ARG 67 4.891 4.497 -7.096 540 2HH2 ARG 67 2HH2 ARG 67 3.885 5.753 -7.753 541 H GLY 68 H GLY 68 1.542 -0.112 -7.296 542 1HA GLY 68 1HA GLY 68 1.039 -2.994 -6.977 543 2HA GLY 68 2HA GLY 68 0.023 -1.886 -7.895 544 H LYS 69 H LYS 69 1.879 -0.527 -9.348 545 HA LYS 69 HA LYS 69 2.648 -2.543 -11.290 546 1HB LYS 69 2HB LYS 69 2.617 0.476 -11.389 547 2HB LYS 69 3HB LYS 69 3.175 -0.535 -12.715 548 1HG LYS 69 2HG LYS 69 0.904 -1.615 -12.703 549 2HG LYS 69 3HG LYS 69 0.401 -0.350 -11.578 550 1HD LYS 69 2HD LYS 69 0.113 1.086 -13.251 551 2HD LYS 69 3HD LYS 69 1.765 0.823 -13.811 552 1HE LYS 69 2HE LYS 69 -0.257 -1.261 -14.427 553 2HE LYS 69 3HE LYS 69 -0.349 0.259 -15.315 554 1HZ LYS 69 HZ1 LYS 69 2.230 -0.235 -15.563 555 2HZ LYS 69 HZ2 LYS 69 1.684 -1.832 -15.407 556 3HZ LYS 69 HZ3 LYS 69 1.081 -0.847 -16.651 557 H LEU 70 H LEU 70 4.142 -2.464 -8.849 558 HA LEU 70 HA LEU 70 6.628 -1.143 -9.303 559 1HB LEU 70 2HB LEU 70 7.359 -2.074 -7.341 560 2HB LEU 70 3HB LEU 70 5.629 -2.091 -7.086 561 HG LEU 70 HG LEU 70 6.538 -4.574 -8.284 562 1HD1 LEU 70 1HD1 LEU 70 8.193 -3.418 -6.207 563 2HD1 LEU 70 2HD1 LEU 70 7.481 -4.953 -5.708 564 3HD1 LEU 70 3HD1 LEU 70 8.448 -4.867 -7.181 565 1HD2 LEU 70 1HD2 LEU 70 4.373 -4.036 -7.073 566 2HD2 LEU 70 2HD2 LEU 70 5.184 -5.533 -6.607 567 3HD2 LEU 70 3HD2 LEU 70 5.311 -4.105 -5.579 568 H GLU 71 H GLU 71 5.258 -4.236 -10.026 569 HA GLU 71 HA GLU 71 7.340 -5.821 -10.619 570 1HB GLU 71 2HB GLU 71 5.578 -6.244 -12.802 571 2HB GLU 71 3HB GLU 71 5.729 -7.173 -11.319 572 1HG GLU 71 2HG GLU 71 3.700 -6.534 -10.717 573 2HG GLU 71 3HG GLU 71 4.218 -4.848 -10.728 574 HA PRO 72 HA PRO 72 8.180 -4.202 -15.052 575 1HB PRO 72 2HB PRO 72 6.973 -1.979 -15.963 576 2HB PRO 72 3HB PRO 72 6.232 -3.578 -16.109 577 1HG PRO 72 2HG PRO 72 5.705 -1.424 -14.097 578 2HG PRO 72 3HG PRO 72 4.550 -2.448 -14.971 579 1HD PRO 72 2HD PRO 72 5.331 -2.932 -12.409 580 2HD PRO 72 3HD PRO 72 4.834 -4.212 -13.532 581 H LEU 73 H LEU 73 7.815 -2.109 -12.341 582 HA LEU 73 HA LEU 73 9.751 -0.152 -13.265 583 1HB LEU 73 2HB LEU 73 7.816 -0.337 -11.150 584 2HB LEU 73 3HB LEU 73 9.384 0.009 -10.444 585 HG LEU 73 HG LEU 73 7.729 1.930 -11.206 586 1HD1 LEU 73 1HD1 LEU 73 9.914 2.195 -10.120 587 2HD1 LEU 73 2HD1 LEU 73 10.697 2.066 -11.697 588 3HD1 LEU 73 3HD1 LEU 73 9.615 3.419 -11.354 589 1HD2 LEU 73 1HD2 LEU 73 9.266 1.286 -13.716 590 2HD2 LEU 73 2HD2 LEU 73 7.515 1.310 -13.510 591 3HD2 LEU 73 3HD2 LEU 73 8.434 2.812 -13.420 592 H LEU 74 H LEU 74 9.655 -3.148 -11.622 593 HA LEU 74 HA LEU 74 12.005 -3.106 -10.097 594 1HB LEU 74 2HB LEU 74 10.043 -4.945 -10.756 595 2HB LEU 74 3HB LEU 74 11.474 -5.618 -11.509 596 HG LEU 74 HG LEU 74 12.617 -5.664 -9.364 597 1HD1 LEU 74 1HD1 LEU 74 11.252 -3.648 -8.508 598 2HD1 LEU 74 2HD1 LEU 74 10.080 -4.863 -7.998 599 3HD1 LEU 74 3HD1 LEU 74 11.727 -4.903 -7.365 600 1HD2 LEU 74 1HD2 LEU 74 11.227 -7.570 -10.078 601 2HD2 LEU 74 2HD2 LEU 74 11.322 -7.415 -8.324 602 3HD2 LEU 74 3HD2 LEU 74 9.871 -6.890 -9.178 603 H ALA 75 H ALA 75 11.446 -4.228 -13.403 604 HA ALA 75 HA ALA 75 14.140 -4.770 -14.029 605 1HB ALA 75 1HB ALA 75 11.605 -4.532 -15.548 606 2HB ALA 75 2HB ALA 75 13.116 -4.456 -16.453 607 3HB ALA 75 3HB ALA 75 12.754 -5.867 -15.460 608 H LYS 76 H LYS 76 12.258 -1.834 -14.113 609 HA LYS 76 HA LYS 76 14.100 -0.437 -15.836 610 1HB LYS 76 2HB LYS 76 11.933 0.729 -14.086 611 2HB LYS 76 3HB LYS 76 12.738 1.519 -15.435 612 1HG LYS 76 2HG LYS 76 11.590 -0.939 -16.322 613 2HG LYS 76 3HG LYS 76 10.373 0.010 -15.462 614 1HD LYS 76 2HD LYS 76 10.116 1.201 -17.329 615 2HD LYS 76 3HD LYS 76 11.739 1.842 -17.067 616 1HE LYS 76 2HE LYS 76 12.229 -0.614 -18.202 617 2HE LYS 76 3HE LYS 76 10.775 -0.078 -19.046 618 1HZ LYS 76 HZ1 LYS 76 13.025 1.788 -18.732 619 2HZ LYS 76 HZ2 LYS 76 13.115 0.580 -19.920 620 3HZ LYS 76 HZ3 LYS 76 11.852 1.712 -19.954 621 H SER 77 H SER 77 13.814 -1.035 -12.460 622 HA SER 77 HA SER 77 15.339 1.252 -11.636 623 1HB SER 77 2HB SER 77 14.569 -1.248 -10.117 624 2HB SER 77 3HB SER 77 15.261 0.212 -9.406 625 HG SER 77 HG SER 77 12.720 -0.164 -10.585 626 H GLY 78 H GLY 78 16.010 -2.154 -12.310 627 1HA GLY 78 1HA GLY 78 18.116 -2.921 -13.039 628 2HA GLY 78 2HA GLY 78 18.860 -1.497 -12.323 629 H LEU 79 H LEU 79 16.932 -4.299 -11.286 630 HA LEU 79 HA LEU 79 18.642 -4.463 -8.903 631 1HB LEU 79 2HB LEU 79 15.833 -5.476 -9.351 632 2HB LEU 79 3HB LEU 79 16.764 -5.722 -7.885 633 HG LEU 79 HG LEU 79 16.118 -2.975 -8.926 634 1HD1 LEU 79 1HD1 LEU 79 14.406 -4.898 -7.501 635 2HD1 LEU 79 2HD1 LEU 79 14.451 -3.261 -6.843 636 3HD1 LEU 79 3HD1 LEU 79 13.975 -3.524 -8.520 637 1HD2 LEU 79 1HD2 LEU 79 17.534 -4.089 -6.639 638 2HD2 LEU 79 2HD2 LEU 79 17.574 -2.461 -7.315 639 3HD2 LEU 79 3HD2 LEU 79 16.297 -2.917 -6.188 640 H ASP 80 H ASP 80 19.738 -6.308 -8.466 641 HA ASP 80 HA ASP 80 19.392 -8.547 -10.335 642 1HB ASP 80 2HB ASP 80 21.493 -8.057 -11.008 643 2HB ASP 80 3HB ASP 80 21.744 -6.942 -9.674 644 HA PRO 81 HA PRO 81 18.412 -10.839 -6.738 645 1HB PRO 81 2HB PRO 81 19.005 -13.368 -7.612 646 2HB PRO 81 3HB PRO 81 17.553 -12.469 -8.080 647 1HG PRO 81 2HG PRO 81 20.130 -12.815 -9.561 648 2HG PRO 81 3HG PRO 81 18.466 -12.877 -10.175 649 1HD PRO 81 2HD PRO 81 20.010 -10.701 -10.496 650 2HD PRO 81 3HD PRO 81 18.261 -10.572 -10.212 651 H GLU 82 H GLU 82 21.540 -10.228 -7.484 652 HA GLU 82 HA GLU 82 22.598 -12.091 -5.479 653 1HB GLU 82 2HB GLU 82 23.987 -10.377 -7.541 654 2HB GLU 82 3HB GLU 82 24.835 -11.274 -6.290 655 1HG GLU 82 2HG GLU 82 22.965 -12.905 -7.815 656 2HG GLU 82 3HG GLU 82 24.245 -12.188 -8.796 657 H LYS 83 H LYS 83 21.640 -8.846 -5.979 658 HA LYS 83 HA LYS 83 23.257 -7.883 -3.743 659 1HB LYS 83 2HB LYS 83 21.489 -5.842 -4.540 660 2HB LYS 83 3HB LYS 83 23.215 -5.943 -4.838 661 1HG LYS 83 2HG LYS 83 22.635 -7.288 -6.901 662 2HG LYS 83 3HG LYS 83 20.966 -6.785 -6.631 663 1HD LYS 83 2HD LYS 83 21.438 -4.934 -7.776 664 2HD LYS 83 3HD LYS 83 22.461 -4.442 -6.425 665 1HE LYS 83 2HE LYS 83 23.202 -5.584 -9.064 666 2HE LYS 83 3HE LYS 83 23.988 -4.324 -8.116 667 1HZ LYS 83 HZ1 LYS 83 24.646 -6.179 -6.546 668 2HZ LYS 83 HZ2 LYS 83 24.171 -7.258 -7.771 669 3HZ LYS 83 HZ3 LYS 83 25.426 -6.149 -8.049 670 HA PRO 84 HA PRO 84 19.913 -8.697 -0.919 671 1HB PRO 84 2HB PRO 84 21.428 -6.935 0.886 672 2HB PRO 84 3HB PRO 84 21.002 -8.637 1.078 673 1HG PRO 84 2HG PRO 84 23.526 -7.873 0.593 674 2HG PRO 84 3HG PRO 84 22.858 -9.374 -0.078 675 1HD PRO 84 2HD PRO 84 23.244 -6.711 -1.408 676 2HD PRO 84 3HD PRO 84 23.585 -8.341 -2.034 677 H VAL 85 H VAL 85 18.107 -7.588 -0.296 678 HA VAL 85 HA VAL 85 18.141 -4.667 -0.543 679 HB VAL 85 HB VAL 85 15.815 -4.914 -1.632 680 1HG1 VAL 85 1HG1 VAL 85 18.482 -4.915 -2.751 681 2HG1 VAL 85 2HG1 VAL 85 17.306 -5.629 -3.856 682 3HG1 VAL 85 3HG1 VAL 85 17.055 -3.997 -3.236 683 1HG2 VAL 85 1HG2 VAL 85 16.972 -7.649 -2.095 684 2HG2 VAL 85 2HG2 VAL 85 15.396 -7.225 -1.429 685 3HG2 VAL 85 3HG2 VAL 85 15.732 -6.954 -3.139 686 H VAL 86 H VAL 86 16.551 -3.582 0.631 687 HA VAL 86 HA VAL 86 14.967 -5.232 2.468 688 HB VAL 86 HB VAL 86 16.585 -4.450 3.945 689 1HG1 VAL 86 1HG1 VAL 86 16.709 -2.078 2.175 690 2HG1 VAL 86 2HG1 VAL 86 17.159 -1.871 3.868 691 3HG1 VAL 86 3HG1 VAL 86 18.005 -3.052 2.869 692 1HG2 VAL 86 1HG2 VAL 86 14.036 -3.282 4.125 693 2HG2 VAL 86 2HG2 VAL 86 15.188 -3.579 5.427 694 3HG2 VAL 86 3HG2 VAL 86 15.192 -2.030 4.582 695 H VAL 87 H VAL 87 12.896 -4.487 2.866 696 HA VAL 87 HA VAL 87 11.994 -2.429 0.979 697 HB VAL 87 HB VAL 87 9.684 -3.435 1.511 698 1HG1 VAL 87 1HG1 VAL 87 11.872 -4.715 -0.067 699 2HG1 VAL 87 2HG1 VAL 87 10.287 -5.489 0.014 700 3HG1 VAL 87 3HG1 VAL 87 10.440 -3.850 -0.628 701 1HG2 VAL 87 1HG2 VAL 87 11.463 -5.625 2.585 702 2HG2 VAL 87 2HG2 VAL 87 10.258 -4.705 3.485 703 3HG2 VAL 87 3HG2 VAL 87 9.750 -5.810 2.208 704 H PHE 88 H PHE 88 11.023 -0.607 1.630 705 HA PHE 88 HA PHE 88 10.648 -0.260 4.533 706 1HB PHE 88 2HB PHE 88 12.556 0.962 3.159 707 2HB PHE 88 3HB PHE 88 11.247 2.062 2.749 708 HD1 PHE 88 HD1 PHE 88 11.909 0.300 5.983 709 HD2 PHE 88 HD2 PHE 88 11.770 4.016 3.902 710 HE1 PHE 88 HE1 PHE 88 12.216 1.493 8.093 711 HE2 PHE 88 HE2 PHE 88 12.075 5.202 6.007 712 HZ PHE 88 HZ PHE 88 12.299 3.947 8.112 713 H CYS 89 H CYS 89 8.862 0.787 5.260 714 HA CYS 89 HA CYS 89 7.121 2.370 3.728 715 1HB CYS 89 2HB CYS 89 6.539 0.190 2.673 716 2HB CYS 89 3HB CYS 89 6.061 -0.420 4.253 717 H LYS 90 H LYS 90 6.275 -0.149 6.076 718 HA LYS 90 HA LYS 90 6.527 1.428 8.383 719 1HB LYS 90 2HB LYS 90 4.190 2.015 6.922 720 2HB LYS 90 3HB LYS 90 3.668 1.001 8.261 721 1HG LYS 90 2HG LYS 90 5.500 2.970 9.226 722 2HG LYS 90 3HG LYS 90 4.237 3.754 8.276 723 1HD LYS 90 2HD LYS 90 2.728 3.436 9.882 724 2HD LYS 90 3HD LYS 90 3.132 1.722 10.008 725 1HE LYS 90 2HE LYS 90 4.951 2.211 11.507 726 2HE LYS 90 3HE LYS 90 4.722 3.945 11.284 727 1HZ LYS 90 HZ1 LYS 90 2.578 2.225 12.374 728 2HZ LYS 90 HZ2 LYS 90 3.772 2.892 13.374 729 3HZ LYS 90 HZ3 LYS 90 2.740 3.908 12.486 730 H THR 91 H THR 91 4.874 0.307 10.133 731 HA THR 91 HA THR 91 5.745 -2.406 10.294 732 HB THR 91 HB THR 91 3.810 -2.085 12.235 733 HG1 THR 91 HG1 THR 91 3.568 -0.013 12.649 734 1HG2 THR 91 1HG2 THR 91 6.177 -2.865 12.461 735 2HG2 THR 91 2HG2 THR 91 6.675 -1.173 12.470 736 3HG2 THR 91 3HG2 THR 91 5.639 -1.794 13.755 737 H ALA 92 H ALA 92 4.567 -2.800 8.091 738 HA ALA 92 HA ALA 92 2.004 -4.066 8.664 739 1HB ALA 92 1HB ALA 92 1.844 -1.554 7.907 740 2HB ALA 92 2HB ALA 92 2.077 -2.260 6.308 741 3HB ALA 92 3HB ALA 92 0.712 -2.765 7.304 742 H ALA 93 H ALA 93 1.101 -4.977 6.514 743 HA ALA 93 HA ALA 93 3.021 -6.846 5.545 744 1HB ALA 93 1HB ALA 93 0.115 -6.373 5.000 745 2HB ALA 93 2HB ALA 93 1.042 -7.545 4.064 746 3HB ALA 93 3HB ALA 93 0.890 -7.736 5.810 747 H ARG 94 H ARG 94 1.781 -3.849 4.367 748 HA ARG 94 HA ARG 94 1.774 -3.976 1.693 749 1HB ARG 94 2HB ARG 94 1.307 -1.940 2.970 750 2HB ARG 94 3HB ARG 94 3.022 -1.739 3.289 751 1HG ARG 94 2HG ARG 94 3.448 -0.908 1.235 752 2HG ARG 94 3HG ARG 94 2.256 -1.948 0.451 753 1HD ARG 94 2HD ARG 94 0.711 -0.350 0.507 754 2HD ARG 94 3HD ARG 94 0.988 -0.057 2.222 755 HE ARG 94 HE ARG 94 3.082 1.106 0.751 756 1HH1 ARG 94 1HH1 ARG 94 -0.329 1.545 1.393 757 2HH1 ARG 94 2HH1 ARG 94 -0.301 3.262 1.082 758 1HH2 ARG 94 1HH2 ARG 94 3.104 3.361 0.346 759 2HH2 ARG 94 2HH2 ARG 94 1.634 4.289 0.517 760 H ALA 95 H ALA 95 4.784 -3.371 3.532 761 HA ALA 95 HA ALA 95 6.435 -3.282 1.231 762 1HB ALA 95 1HB ALA 95 6.838 -3.302 4.151 763 2HB ALA 95 2HB ALA 95 8.192 -3.880 3.181 764 3HB ALA 95 3HB ALA 95 7.543 -2.262 2.912 765 H ALA 96 H ALA 96 5.364 -5.857 3.304 766 HA ALA 96 HA ALA 96 7.228 -7.832 2.684 767 1HB ALA 96 1HB ALA 96 5.135 -7.687 4.368 768 2HB ALA 96 2HB ALA 96 4.465 -8.741 3.122 769 3HB ALA 96 3HB ALA 96 5.958 -9.189 3.948 770 H LEU 97 H LEU 97 4.473 -6.691 0.854 771 HA LEU 97 HA LEU 97 4.171 -8.966 -0.801 772 1HB LEU 97 2HB LEU 97 3.208 -6.194 -0.836 773 2HB LEU 97 3HB LEU 97 3.404 -6.902 -2.436 774 HG LEU 97 HG LEU 97 1.108 -7.096 -1.332 775 1HD1 LEU 97 1HD1 LEU 97 2.571 -9.507 -2.389 776 2HD1 LEU 97 2HD1 LEU 97 0.820 -9.420 -2.188 777 3HD1 LEU 97 3HD1 LEU 97 1.635 -8.330 -3.310 778 1HD2 LEU 97 1HD2 LEU 97 2.689 -8.360 0.672 779 2HD2 LEU 97 2HD2 LEU 97 0.951 -8.060 0.657 780 3HD2 LEU 97 3HD2 LEU 97 1.593 -9.555 -0.022 781 H ALA 98 H ALA 98 6.202 -6.103 -1.051 782 HA ALA 98 HA ALA 98 7.224 -6.805 -3.637 783 1HB ALA 98 1HB ALA 98 7.747 -4.689 -1.632 784 2HB ALA 98 2HB ALA 98 9.054 -5.073 -2.751 785 3HB ALA 98 3HB ALA 98 7.483 -4.566 -3.372 786 H GLY 99 H GLY 99 8.430 -7.002 -0.307 787 1HA GLY 99 1HA GLY 99 10.956 -8.049 -0.949 788 2HA GLY 99 2HA GLY 99 10.175 -8.161 0.617 789 H LYS 100 H LYS 100 8.130 -9.784 0.340 790 HA LYS 100 HA LYS 100 9.351 -12.282 0.317 791 1HB LYS 100 2HB LYS 100 7.437 -13.009 1.250 792 2HB LYS 100 3HB LYS 100 6.992 -11.310 1.263 793 1HG LYS 100 2HG LYS 100 5.180 -11.877 0.125 794 2HG LYS 100 3HG LYS 100 6.227 -12.210 -1.255 795 1HD LYS 100 2HD LYS 100 5.140 -14.222 -1.067 796 2HD LYS 100 3HD LYS 100 6.542 -14.524 -0.041 797 1HE LYS 100 2HE LYS 100 5.043 -13.645 1.869 798 2HE LYS 100 3HE LYS 100 3.712 -13.932 0.750 799 1HZ LYS 100 HZ1 LYS 100 4.682 -16.257 0.533 800 2HZ LYS 100 HZ2 LYS 100 5.583 -15.900 1.929 801 3HZ LYS 100 HZ3 LYS 100 3.883 -15.885 1.981 802 H THR 101 H THR 101 7.639 -10.602 -2.223 803 HA THR 101 HA THR 101 7.479 -12.858 -3.971 804 HB THR 101 HB THR 101 7.313 -9.915 -4.641 805 HG1 THR 101 HG1 THR 101 5.510 -10.092 -3.547 806 1HG2 THR 101 1HG2 THR 101 7.682 -11.724 -6.484 807 2HG2 THR 101 2HG2 THR 101 5.991 -12.118 -6.172 808 3HG2 THR 101 3HG2 THR 101 6.437 -10.494 -6.701 809 H LEU 102 H LEU 102 9.754 -10.195 -3.500 810 HA LEU 102 HA LEU 102 11.367 -10.690 -5.758 811 1HB LEU 102 2HB LEU 102 11.645 -9.177 -3.227 812 2HB LEU 102 3HB LEU 102 13.129 -9.587 -4.066 813 HG LEU 102 HG LEU 102 10.825 -8.042 -5.257 814 1HD1 LEU 102 1HD1 LEU 102 13.537 -7.143 -4.298 815 2HD1 LEU 102 2HD1 LEU 102 12.387 -6.142 -5.183 816 3HD1 LEU 102 3HD1 LEU 102 11.979 -6.741 -3.576 817 1HD2 LEU 102 1HD2 LEU 102 13.165 -9.345 -6.401 818 2HD2 LEU 102 2HD2 LEU 102 11.716 -8.718 -7.187 819 3HD2 LEU 102 3HD2 LEU 102 13.052 -7.631 -6.804 820 H ARG 103 H ARG 103 11.629 -11.828 -2.390 821 HA ARG 103 HA ARG 103 14.038 -13.273 -2.779 822 1HB ARG 103 2HB ARG 103 13.534 -14.382 -0.670 823 2HB ARG 103 3HB ARG 103 13.217 -12.658 -0.543 824 1HG ARG 103 2HG ARG 103 11.220 -13.170 0.261 825 2HG ARG 103 3HG ARG 103 10.797 -13.778 -1.336 826 1HD ARG 103 2HD ARG 103 10.376 -15.654 -0.172 827 2HD ARG 103 3HD ARG 103 12.104 -15.904 -0.404 828 HE ARG 103 HE ARG 103 10.776 -15.006 2.063 829 1HH1 ARG 103 1HH1 ARG 103 13.625 -16.237 0.411 830 2HH1 ARG 103 2HH1 ARG 103 14.548 -16.396 1.868 831 1HH2 ARG 103 1HH2 ARG 103 12.015 -15.175 3.963 832 2HH2 ARG 103 2HH2 ARG 103 13.655 -15.767 3.886 833 H GLU 104 H GLU 104 10.725 -13.961 -3.456 834 HA GLU 104 HA GLU 104 10.963 -16.784 -3.762 835 1HB GLU 104 2HB GLU 104 8.888 -14.843 -3.872 836 2HB GLU 104 3HB GLU 104 8.852 -15.753 -5.376 837 1HG GLU 104 2HG GLU 104 9.168 -17.431 -3.014 838 2HG GLU 104 3HG GLU 104 7.674 -16.494 -3.027 839 H TYR 105 H TYR 105 12.247 -14.296 -5.533 840 HA TYR 105 HA TYR 105 12.190 -15.866 -8.018 841 1HB TYR 105 HB2 TYR 105 12.901 -12.952 -7.613 842 2HB TYR 105 HB3 TYR 105 12.972 -13.808 -9.153 843 HD1 TYR 105 HD1 TYR 105 10.487 -15.479 -8.837 844 HD2 TYR 105 HD2 TYR 105 11.219 -11.351 -8.099 845 HE1 TYR 105 HE1 TYR 105 8.101 -14.999 -9.197 846 HE2 TYR 105 HE2 TYR 105 8.836 -10.863 -8.462 847 HH TYR 105 HH TYR 105 6.483 -13.105 -8.352 848 H GLY 106 H GLY 106 14.002 -15.336 -5.322 849 1HA GLY 106 1HA GLY 106 15.944 -16.691 -5.039 850 2HA GLY 106 2HA GLY 106 16.354 -16.400 -6.721 851 H PHE 107 H PHE 107 15.418 -13.909 -4.416 852 HA PHE 107 HA PHE 107 17.857 -12.483 -4.960 853 1HB PHE 107 2HB PHE 107 15.293 -11.897 -3.628 854 2HB PHE 107 3HB PHE 107 16.693 -11.074 -2.943 855 HD1 PHE 107 HD1 PHE 107 15.326 -11.871 -6.329 856 HD2 PHE 107 HD2 PHE 107 17.142 -8.988 -3.776 857 HE1 PHE 107 HE1 PHE 107 15.238 -10.211 -8.144 858 HE2 PHE 107 HE2 PHE 107 17.054 -7.323 -5.586 859 HZ PHE 107 HZ PHE 107 16.104 -7.935 -7.774 860 H LYS 108 H LYS 108 19.552 -12.183 -3.665 861 HA LYS 108 HA LYS 108 20.374 -14.263 -2.088 862 1HB LYS 108 2HB LYS 108 21.418 -11.736 -2.935 863 2HB LYS 108 3HB LYS 108 21.853 -12.002 -1.253 864 1HG LYS 108 2HG LYS 108 22.452 -14.415 -2.309 865 2HG LYS 108 3HG LYS 108 22.775 -13.358 -3.685 866 1HD LYS 108 2HD LYS 108 23.881 -12.042 -1.486 867 2HD LYS 108 3HD LYS 108 24.299 -13.741 -1.259 868 1HE LYS 108 2HE LYS 108 25.856 -13.612 -2.836 869 2HE LYS 108 3HE LYS 108 24.675 -13.022 -4.003 870 1HZ LYS 108 HZ1 LYS 108 25.981 -11.253 -2.010 871 2HZ LYS 108 HZ2 LYS 108 26.621 -11.521 -3.556 872 3HZ LYS 108 HZ3 LYS 108 25.093 -10.801 -3.384 873 H THR 109 H THR 109 19.651 -11.008 -0.815 874 HA THR 109 HA THR 109 18.716 -12.264 1.664 875 HB THR 109 HB THR 109 20.312 -9.822 2.093 876 HG1 THR 109 HG1 THR 109 21.432 -12.249 1.135 877 1HG2 THR 109 1HG2 THR 109 19.892 -12.474 3.435 878 2HG2 THR 109 2HG2 THR 109 21.195 -11.400 3.935 879 3HG2 THR 109 3HG2 THR 109 19.520 -10.858 4.036 880 H ILE 110 H ILE 110 16.748 -11.502 2.126 881 HA ILE 110 HA ILE 110 16.125 -8.763 1.264 882 HB ILE 110 HB ILE 110 15.046 -10.674 -0.018 883 1HG1 ILE 110 2HG1 ILE 110 12.702 -9.252 0.816 884 2HG1 ILE 110 3HG1 ILE 110 14.078 -8.151 0.776 885 1HG2 ILE 110 1HG2 ILE 110 13.613 -10.987 2.595 886 2HG2 ILE 110 2HG2 ILE 110 12.884 -11.473 1.065 887 3HG2 ILE 110 3HG2 ILE 110 14.389 -12.219 1.600 888 1HD1 ILE 110 1HD1 ILE 110 13.831 -9.951 -1.533 889 2HD1 ILE 110 2HD1 ILE 110 12.556 -8.744 -1.358 890 3HD1 ILE 110 3HD1 ILE 110 14.242 -8.236 -1.460 891 H TYR 111 H TYR 111 15.469 -7.373 2.763 892 HA TYR 111 HA TYR 111 14.714 -8.446 5.405 893 1HB TYR 111 HB2 TYR 111 15.884 -5.702 4.981 894 2HB TYR 111 HB3 TYR 111 15.822 -6.648 6.459 895 HD1 TYR 111 HD1 TYR 111 17.427 -6.582 3.089 896 HD2 TYR 111 HD2 TYR 111 17.702 -7.830 7.153 897 HE1 TYR 111 HE1 TYR 111 19.752 -7.289 2.709 898 HE2 TYR 111 HE2 TYR 111 20.027 -8.539 6.783 899 HH TYR 111 HH TYR 111 21.807 -7.660 4.032 900 H ASN 112 H ASN 112 13.035 -7.453 6.524 901 HA ASN 112 HA ASN 112 11.555 -5.370 5.055 902 1HB ASN 112 2HB ASN 112 10.379 -7.647 5.277 903 2HB ASN 112 3HB ASN 112 10.263 -7.290 6.996 904 1HD2 ASN 112 1HD2 ASN 112 7.993 -7.721 5.646 905 2HD2 ASN 112 2HD2 ASN 112 7.114 -6.245 5.444 906 H SER 113 H SER 113 10.891 -3.603 6.281 907 HA SER 113 HA SER 113 12.438 -3.313 8.723 908 1HB SER 113 2HB SER 113 11.564 -1.564 6.565 909 2HB SER 113 3HB SER 113 11.342 -0.836 8.157 910 HG SER 113 HG SER 113 13.751 -2.136 7.776 911 H GLU 114 H GLU 114 11.535 -3.623 10.619 912 HA GLU 114 HA GLU 114 8.692 -3.624 11.025 913 1HB GLU 114 2HB GLU 114 11.089 -4.138 12.725 914 2HB GLU 114 3HB GLU 114 9.556 -3.812 13.520 915 1HG GLU 114 2HG GLU 114 9.574 -5.835 11.359 916 2HG GLU 114 3HG GLU 114 10.348 -6.256 12.884 917 H GLY 115 H GLY 115 9.726 -1.072 10.188 918 1HA GLY 115 1HA GLY 115 8.729 0.538 12.440 919 2HA GLY 115 2HA GLY 115 10.249 0.984 11.678 920 H GLY 116 H GLY 116 10.185 1.508 9.367 921 1HA GLY 116 1HA GLY 116 8.783 1.989 7.425 922 2HA GLY 116 2HA GLY 116 7.537 2.520 8.546 923 H MET 117 H MET 117 7.935 4.269 6.715 924 HA MET 117 HA MET 117 10.088 6.001 6.755 925 1HB MET 117 2HB MET 117 7.836 5.908 5.326 926 2HB MET 117 3HB MET 117 7.383 7.199 6.431 927 1HG MET 117 2HG MET 117 8.331 8.060 4.360 928 2HG MET 117 3HG MET 117 9.313 8.492 5.759 929 1HE MET 117 1HE MET 117 8.664 6.046 3.021 930 2HE MET 117 2HE MET 117 9.760 7.040 2.059 931 3HE MET 117 3HE MET 117 10.235 5.409 2.530 932 H ASP 118 H ASP 118 7.263 5.957 8.834 933 HA ASP 118 HA ASP 118 7.615 8.379 10.175 934 1HB ASP 118 2HB ASP 118 5.564 7.218 10.474 935 2HB ASP 118 3HB ASP 118 6.382 5.747 10.985 936 H LYS 119 H LYS 119 8.955 5.165 10.784 937 HA LYS 119 HA LYS 119 10.315 5.898 13.175 938 1HB LYS 119 2HB LYS 119 9.963 3.516 11.522 939 2HB LYS 119 3HB LYS 119 11.585 3.647 12.194 940 1HG LYS 119 2HG LYS 119 10.298 2.380 13.722 941 2HG LYS 119 3HG LYS 119 10.508 3.976 14.445 942 1HD LYS 119 2HD LYS 119 8.210 4.394 13.121 943 2HD LYS 119 3HD LYS 119 8.065 2.659 13.414 944 1HE LYS 119 2HE LYS 119 7.198 3.292 15.387 945 2HE LYS 119 3HE LYS 119 8.882 3.516 15.850 946 1HZ LYS 119 HZ1 LYS 119 7.504 5.757 14.551 947 2HZ LYS 119 HZ2 LYS 119 7.101 5.405 16.161 948 3HZ LYS 119 HZ3 LYS 119 8.710 5.769 15.751 949 H TRP 120 H TRP 120 11.122 5.835 9.765 950 HA TRP 120 HA TRP 120 13.922 6.029 10.002 951 1HB TRP 120 HB2 TRP 120 12.536 5.577 7.901 952 2HB TRP 120 HB3 TRP 120 12.298 7.318 7.810 953 HD1 TRP 120 HD1 TRP 120 14.372 8.800 7.103 954 HE1 TRP 120 HE1 TRP 120 16.628 8.256 5.992 955 HE3 TRP 120 HE3 TRP 120 14.345 3.722 7.697 956 HZ2 TRP 120 HZ2 TRP 120 18.177 5.965 5.423 957 HZ3 TRP 120 HZ3 TRP 120 16.254 2.427 6.830 958 HH2 TRP 120 HH2 TRP 120 18.124 3.526 5.713 959 H LEU 121 H LEU 121 11.455 8.595 9.549 960 HA LEU 121 HA LEU 121 13.230 10.751 9.858 961 1HB LEU 121 2HB LEU 121 10.258 10.458 10.223 962 2HB LEU 121 3HB LEU 121 11.074 11.987 10.469 963 HG LEU 121 HG LEU 121 11.478 10.604 7.854 964 1HD1 LEU 121 1HD1 LEU 121 8.896 11.476 8.907 965 2HD1 LEU 121 2HD1 LEU 121 9.331 12.206 7.361 966 3HD1 LEU 121 3HD1 LEU 121 9.274 10.451 7.523 967 1HD2 LEU 121 1HD2 LEU 121 11.416 13.400 8.918 968 2HD2 LEU 121 2HD2 LEU 121 12.692 12.575 8.023 969 3HD2 LEU 121 3HD2 LEU 121 11.223 13.088 7.194 970 H GLU 122 H GLU 122 11.203 8.988 12.177 971 HA GLU 122 HA GLU 122 11.642 10.690 14.370 972 1HB GLU 122 2HB GLU 122 9.808 9.050 14.241 973 2HB GLU 122 3HB GLU 122 10.978 7.744 14.382 974 1HG GLU 122 2HG GLU 122 11.650 8.723 16.591 975 2HG GLU 122 3HG GLU 122 10.266 9.805 16.447 976 H GLU 123 H GLU 123 13.354 7.771 13.306 977 HA GLU 123 HA GLU 123 14.999 7.528 15.584 978 1HB GLU 123 2HB GLU 123 14.520 6.010 13.356 979 2HB GLU 123 3HB GLU 123 16.153 6.586 13.050 980 1HG GLU 123 2HG GLU 123 16.831 4.873 14.281 981 2HG GLU 123 3HG GLU 123 16.267 5.793 15.674 982 H GLY 124 H GLY 124 15.122 9.629 12.876 983 1HA GLY 124 1HA GLY 124 16.454 11.555 12.756 984 2HA GLY 124 2HA GLY 124 17.518 10.868 13.976 985 H LEU 125 H LEU 125 16.598 8.901 11.320 986 HA LEU 125 HA LEU 125 19.317 8.693 10.417 987 1HB LEU 125 2HB LEU 125 16.845 7.577 9.098 988 2HB LEU 125 3HB LEU 125 18.496 7.021 8.905 989 HG LEU 125 HG LEU 125 16.951 6.830 11.494 990 1HD1 LEU 125 1HD1 LEU 125 16.774 5.248 9.107 991 2HD1 LEU 125 2HD1 LEU 125 17.393 4.284 10.448 992 3HD1 LEU 125 3HD1 LEU 125 15.853 5.132 10.606 993 1HD2 LEU 125 1HD2 LEU 125 19.584 5.685 10.573 994 2HD2 LEU 125 2HD2 LEU 125 19.312 6.826 11.889 995 3HD2 LEU 125 3HD2 LEU 125 18.737 5.165 12.030 996 HA PRO 126 HA PRO 126 19.531 11.686 7.176 997 1HB PRO 126 2HB PRO 126 20.190 10.114 4.984 998 2HB PRO 126 3HB PRO 126 21.346 10.740 6.166 999 1HG PRO 126 2HG PRO 126 20.030 8.048 6.035 1000 2HG PRO 126 3HG PRO 126 21.723 8.453 6.402 1001 1HD PRO 126 2HD PRO 126 20.052 7.838 8.369 1002 2HD PRO 126 3HD PRO 126 21.196 9.184 8.569 1003 H SER 127 H SER 127 17.622 12.567 6.548 1004 HA SER 127 HA SER 127 15.843 10.885 4.923 1005 1HB SER 127 2HB SER 127 14.469 13.124 6.065 1006 2HB SER 127 3HB SER 127 14.201 11.406 6.358 1007 HG SER 127 HG SER 127 16.058 11.600 7.865 1008 H LEU 128 H LEU 128 14.793 11.841 3.171 1009 HA LEU 128 HA LEU 128 16.018 14.303 2.147 1010 1HB LEU 128 2HB LEU 128 14.971 11.860 0.947 1011 2HB LEU 128 3HB LEU 128 14.248 13.293 0.247 1012 HG LEU 128 HG LEU 128 17.221 12.816 0.415 1013 1HD1 LEU 128 1HD1 LEU 128 15.246 11.698 -1.337 1014 2HD1 LEU 128 2HD1 LEU 128 16.328 12.758 -2.242 1015 3HD1 LEU 128 3HD1 LEU 128 16.989 11.424 -1.296 1016 1HD2 LEU 128 1HD2 LEU 128 15.544 14.870 -1.018 1017 2HD2 LEU 128 2HD2 LEU 128 16.688 15.156 0.294 1018 3HD2 LEU 128 3HD2 LEU 128 17.270 14.626 -1.283 1019 H ASP 129 H ASP 129 14.918 15.899 3.120 1020 HA ASP 129 HA ASP 129 12.047 16.083 2.642 1021 1HB ASP 129 2HB ASP 129 11.458 15.747 4.781 1022 2HB ASP 129 3HB ASP 129 13.118 15.291 5.131 1023 H ARG 130 H ARG 130 11.255 18.299 2.983 1024 HA ARG 130 HA ARG 130 13.171 20.121 1.900 1025 1HB ARG 130 2HB ARG 130 10.290 19.989 2.161 1026 2HB ARG 130 3HB ARG 130 10.891 21.591 2.553 1027 1HG ARG 130 2HG ARG 130 12.111 20.491 0.154 1028 2HG ARG 130 3HG ARG 130 10.352 20.634 0.037 1029 1HD ARG 130 2HD ARG 130 10.937 22.981 1.183 1030 2HD ARG 130 3HD ARG 130 12.420 22.727 0.262 1031 HE ARG 130 HE ARG 130 10.889 22.432 -1.718 1032 1HH1 ARG 130 1HH1 ARG 130 9.919 24.326 1.074 1033 2HH1 ARG 130 2HH1 ARG 130 8.880 25.379 0.158 1034 1HH2 ARG 130 1HH2 ARG 130 9.520 23.815 -2.919 1035 2HH2 ARG 130 2HH2 ARG 130 8.643 25.080 -2.100 1036 H SER 131 H SER 131 14.559 19.878 3.869 1037 HA SER 131 HA SER 131 13.836 21.255 6.265 1038 1HB SER 131 2HB SER 131 16.704 21.047 5.682 1039 2HB SER 131 3HB SER 131 15.784 20.412 7.045 1040 HG SER 131 HG SER 131 15.090 18.698 5.669 1041 H HIS 132 H HIS 132 14.865 23.251 7.016 1042 HA HIS 132 HA HIS 132 14.633 25.245 4.980 1043 1HB HIS 132 2HB HIS 132 14.008 25.277 7.568 1044 2HB HIS 132 3HB HIS 132 15.613 25.988 7.687 1045 HD1 HIS 132 HD1 HIS 132 14.142 28.118 8.512 1046 HD2 HIS 132 HD2 HIS 132 13.886 27.100 4.487 1047 HE1 HIS 132 HE1 HIS 132 13.224 30.154 7.350 1048 HE2 HIS 132 HE2 HIS 132 13.246 29.573 4.896 1049 H HIS 133 H HIS 133 16.577 24.076 3.930 1050 HA HIS 133 HA HIS 133 18.856 25.864 4.395 1051 1HB HIS 133 2HB HIS 133 18.938 23.014 4.621 1052 2HB HIS 133 3HB HIS 133 19.821 23.472 3.168 1053 HD1 HIS 133 HD1 HIS 133 21.302 25.957 4.019 1054 HD2 HIS 133 HD2 HIS 133 20.819 22.664 6.518 1055 HE1 HIS 133 HE1 HIS 133 23.162 26.100 5.697 1056 HE2 HIS 133 HE2 HIS 133 22.921 24.052 7.133 1057 H HIS 134 H HIS 134 19.852 26.573 2.441 1058 HA HIS 134 HA HIS 134 17.973 26.653 0.296 1059 1HB HIS 134 2HB HIS 134 20.288 28.157 1.095 1060 2HB HIS 134 3HB HIS 134 20.401 27.751 -0.618 1061 HD1 HIS 134 HD1 HIS 134 19.231 29.313 -2.133 1062 HD2 HIS 134 HD2 HIS 134 17.587 29.329 1.686 1063 HE1 HIS 134 HE1 HIS 134 17.392 31.031 -2.191 1064 HE2 HIS 134 HE2 HIS 134 16.245 30.805 0.043 1065 H HIS 135 H HIS 135 17.718 24.682 -0.556 1066 HA HIS 135 HA HIS 135 19.902 23.676 -2.227 1067 1HB HIS 135 2HB HIS 135 19.524 22.428 0.069 1068 2HB HIS 135 3HB HIS 135 18.146 21.726 -0.772 1069 HD1 HIS 135 HD1 HIS 135 21.803 21.480 -0.424 1070 HD2 HIS 135 HD2 HIS 135 18.871 20.109 -3.043 1071 HE1 HIS 135 HE1 HIS 135 22.887 19.656 -1.767 1072 HE2 HIS 135 HE2 HIS 135 21.042 18.699 -3.183 1073 H HIS 136 H HIS 136 19.218 23.012 -4.206 1074 HA HIS 136 HA HIS 136 16.336 22.658 -4.628 1075 1HB HIS 136 2HB HIS 136 16.188 24.187 -6.397 1076 2HB HIS 136 3HB HIS 136 17.164 25.038 -5.210 1077 HD1 HIS 136 HD1 HIS 136 17.039 24.412 -8.695 1078 HD2 HIS 136 HD2 HIS 136 20.105 24.595 -5.889 1079 HE1 HIS 136 HE1 HIS 136 19.139 24.829 -10.010 1080 HE2 HIS 136 HE2 HIS 136 20.941 25.128 -8.277 1081 H HIS 137 H HIS 137 15.887 21.685 -6.798 1082 HA HIS 137 HA HIS 137 18.052 19.827 -7.520 1083 1HB HIS 137 2HB HIS 137 16.039 18.775 -6.492 1084 2HB HIS 137 3HB HIS 137 15.068 19.412 -7.815 1085 HD1 HIS 137 HD1 HIS 137 15.102 18.156 -10.013 1086 HD2 HIS 137 HD2 HIS 137 17.818 16.673 -7.231 1087 HE1 HIS 137 HE1 HIS 137 15.934 15.981 -10.968 1088 HE2 HIS 137 HE2 HIS 137 17.419 15.008 -9.175 1089 1H ALA 1 H1 ALA 1 23.866 -9.890 -12.186 1090 2H ALA 1 H2 ALA 1 23.103 -10.664 -10.884 1091 3H ALA 1 H3 ALA 1 24.426 -11.397 -11.653 1092 HA ALA 1 HA ALA 1 23.216 -11.786 -13.615 1093 1HB ALA 1 1HB ALA 1 22.696 -13.076 -11.323 1094 2HB ALA 1 2HB ALA 1 21.079 -12.477 -11.691 1095 3HB ALA 1 3HB ALA 1 21.931 -13.489 -12.857 1096 H ASP 2 H ASP 2 22.394 -10.329 -14.986 1097 HA ASP 2 HA ASP 2 20.430 -8.391 -14.170 1098 1HB ASP 2 2HB ASP 2 21.973 -8.955 -16.636 1099 2HB ASP 2 3HB ASP 2 20.440 -8.110 -16.815 1100 H MET 3 H MET 3 18.821 -9.831 -13.432 1101 HA MET 3 HA MET 3 17.485 -11.475 -15.444 1102 1HB MET 3 2HB MET 3 17.807 -11.557 -12.517 1103 2HB MET 3 3HB MET 3 16.209 -12.015 -13.091 1104 1HG MET 3 2HG MET 3 17.051 -13.809 -14.339 1105 2HG MET 3 3HG MET 3 18.705 -13.208 -14.236 1106 1HE MET 3 1HE MET 3 15.678 -14.273 -12.472 1107 2HE MET 3 2HE MET 3 16.221 -15.742 -11.661 1108 3HE MET 3 3HE MET 3 16.172 -14.215 -10.779 1109 H GLY 4 H GLY 4 17.143 -8.606 -15.507 1110 1HA GLY 4 1HA GLY 4 14.835 -7.682 -14.260 1111 2HA GLY 4 2HA GLY 4 15.487 -7.048 -15.762 1112 H GLU 5 H GLU 5 15.162 -9.502 -17.233 1113 HA GLU 5 HA GLU 5 12.427 -9.180 -18.042 1114 1HB GLU 5 2HB GLU 5 14.120 -11.509 -18.887 1115 2HB GLU 5 3HB GLU 5 12.872 -10.669 -19.793 1116 1HG GLU 5 2HG GLU 5 14.296 -9.102 -20.558 1117 2HG GLU 5 3HG GLU 5 15.229 -9.061 -19.062 1118 H LYS 6 H LYS 6 14.200 -11.410 -16.058 1119 HA LYS 6 HA LYS 6 12.304 -13.486 -16.090 1120 1HB LYS 6 2HB LYS 6 14.511 -12.886 -14.121 1121 2HB LYS 6 3HB LYS 6 13.579 -14.377 -14.142 1122 1HG LYS 6 2HG LYS 6 15.431 -13.355 -16.282 1123 2HG LYS 6 3HG LYS 6 15.662 -14.765 -15.246 1124 1HD LYS 6 2HD LYS 6 14.069 -16.013 -16.375 1125 2HD LYS 6 3HD LYS 6 13.256 -14.584 -17.015 1126 1HE LYS 6 2HE LYS 6 14.467 -14.675 -18.879 1127 2HE LYS 6 3HE LYS 6 15.965 -14.657 -17.949 1128 1HZ LYS 6 HZ1 LYS 6 15.394 -17.145 -17.580 1129 2HZ LYS 6 HZ2 LYS 6 14.440 -16.955 -18.973 1130 3HZ LYS 6 HZ3 LYS 6 16.111 -16.655 -19.035 1131 H PHE 7 H PHE 7 13.044 -11.190 -13.409 1132 HA PHE 7 HA PHE 7 10.856 -12.224 -11.932 1133 1HB PHE 7 2HB PHE 7 11.247 -10.182 -10.424 1134 2HB PHE 7 3HB PHE 7 12.501 -11.403 -10.532 1135 HD1 PHE 7 HD1 PHE 7 11.558 -8.222 -12.274 1136 HD2 PHE 7 HD2 PHE 7 14.639 -10.639 -10.606 1137 HE1 PHE 7 HE1 PHE 7 13.200 -6.455 -12.751 1138 HE2 PHE 7 HE2 PHE 7 16.283 -8.872 -11.073 1139 HZ PHE 7 HZ PHE 7 15.566 -6.775 -12.147 1140 H ASP 8 H ASP 8 11.179 -9.418 -13.996 1141 HA ASP 8 HA ASP 8 8.925 -7.980 -13.277 1142 1HB ASP 8 2HB ASP 8 10.230 -6.854 -14.808 1143 2HB ASP 8 3HB ASP 8 10.457 -8.274 -15.821 1144 H ALA 9 H ALA 9 9.106 -10.432 -15.868 1145 HA ALA 9 HA ALA 9 6.400 -10.484 -16.502 1146 1HB ALA 9 1HB ALA 9 8.416 -11.554 -17.693 1147 2HB ALA 9 2HB ALA 9 8.108 -12.939 -16.645 1148 3HB ALA 9 3HB ALA 9 6.861 -12.383 -17.760 1149 H THR 10 H THR 10 8.196 -12.505 -14.184 1150 HA THR 10 HA THR 10 6.002 -14.119 -13.491 1151 HB THR 10 HB THR 10 8.182 -13.610 -11.505 1152 HG1 THR 10 HG1 THR 10 9.400 -13.773 -13.353 1153 1HG2 THR 10 1HG2 THR 10 6.522 -15.944 -12.416 1154 2HG2 THR 10 2HG2 THR 10 8.012 -16.183 -11.505 1155 3HG2 THR 10 3HG2 THR 10 6.683 -15.266 -10.796 1156 H PHE 11 H PHE 11 7.267 -11.140 -11.998 1157 HA PHE 11 HA PHE 11 5.739 -11.098 -9.704 1158 1HB PHE 11 2HB PHE 11 7.526 -9.399 -10.776 1159 2HB PHE 11 3HB PHE 11 6.048 -8.504 -11.119 1160 HD1 PHE 11 HD1 PHE 11 4.378 -8.848 -8.842 1161 HD2 PHE 11 HD2 PHE 11 8.615 -8.465 -8.995 1162 HE1 PHE 11 HE1 PHE 11 4.379 -7.968 -6.544 1163 HE2 PHE 11 HE2 PHE 11 8.623 -7.589 -6.697 1164 HZ PHE 11 HZ PHE 11 6.503 -7.337 -5.471 1165 H LYS 12 H LYS 12 4.889 -9.964 -12.916 1166 HA LYS 12 HA LYS 12 2.298 -9.003 -12.305 1167 1HB LYS 12 2HB LYS 12 3.552 -8.375 -14.333 1168 2HB LYS 12 3HB LYS 12 3.405 -10.022 -14.924 1169 1HG LYS 12 2HG LYS 12 1.808 -8.361 -15.919 1170 2HG LYS 12 3HG LYS 12 1.067 -9.805 -15.227 1171 1HD LYS 12 2HD LYS 12 -0.095 -8.602 -13.747 1172 2HD LYS 12 3HD LYS 12 1.331 -7.678 -13.272 1173 1HE LYS 12 2HE LYS 12 -0.208 -7.143 -15.799 1174 2HE LYS 12 3HE LYS 12 -0.568 -6.348 -14.267 1175 1HZ LYS 12 HZ1 LYS 12 1.958 -5.798 -14.334 1176 2HZ LYS 12 HZ2 LYS 12 1.782 -6.059 -16.003 1177 3HZ LYS 12 HZ3 LYS 12 0.859 -4.863 -15.233 1178 H ALA 13 H ALA 13 3.554 -12.195 -12.796 1179 HA ALA 13 HA ALA 13 1.045 -13.419 -13.486 1180 1HB ALA 13 1HB ALA 13 3.636 -14.618 -12.502 1181 2HB ALA 13 2HB ALA 13 2.244 -15.539 -13.077 1182 3HB ALA 13 3HB ALA 13 3.110 -14.470 -14.180 1183 H GLN 14 H GLN 14 3.055 -13.269 -10.557 1184 HA GLN 14 HA GLN 14 1.188 -14.692 -8.952 1185 1HB GLN 14 2HB GLN 14 3.440 -12.865 -8.096 1186 2HB GLN 14 3HB GLN 14 2.624 -14.047 -7.085 1187 1HG GLN 14 2HG GLN 14 3.411 -15.810 -8.695 1188 2HG GLN 14 3HG GLN 14 4.410 -14.566 -9.441 1189 1HE2 GLN 14 1HE2 GLN 14 4.599 -17.077 -7.488 1190 2HE2 GLN 14 2HE2 GLN 14 5.883 -16.585 -6.429 1191 H VAL 15 H VAL 15 2.084 -11.249 -9.079 1192 HA VAL 15 HA VAL 15 0.315 -10.329 -7.168 1193 HB VAL 15 HB VAL 15 2.060 -9.142 -9.076 1194 1HG1 VAL 15 1HG1 VAL 15 -0.107 -8.546 -10.246 1195 2HG1 VAL 15 2HG1 VAL 15 -0.477 -7.542 -8.842 1196 3HG1 VAL 15 3HG1 VAL 15 0.948 -7.196 -9.824 1197 1HG2 VAL 15 1HG2 VAL 15 2.046 -8.904 -6.589 1198 2HG2 VAL 15 2HG2 VAL 15 2.189 -7.374 -7.454 1199 3HG2 VAL 15 3HG2 VAL 15 0.645 -7.846 -6.746 1200 H LYS 16 H LYS 16 -0.318 -11.086 -10.539 1201 HA LYS 16 HA LYS 16 -2.913 -9.900 -10.624 1202 1HB LYS 16 2HB LYS 16 -1.492 -10.474 -12.629 1203 2HB LYS 16 3HB LYS 16 -1.915 -12.159 -12.354 1204 1HG LYS 16 2HG LYS 16 -4.345 -11.365 -12.465 1205 2HG LYS 16 3HG LYS 16 -3.685 -9.892 -13.178 1206 1HD LYS 16 2HD LYS 16 -2.409 -11.877 -14.579 1207 2HD LYS 16 3HD LYS 16 -4.023 -12.546 -14.336 1208 1HE LYS 16 2HE LYS 16 -4.376 -9.850 -15.031 1209 2HE LYS 16 3HE LYS 16 -3.156 -10.486 -16.131 1210 1HZ LYS 16 HZ1 LYS 16 -4.775 -12.413 -16.448 1211 2HZ LYS 16 HZ2 LYS 16 -5.940 -11.394 -15.746 1212 3HZ LYS 16 HZ3 LYS 16 -5.159 -10.931 -17.179 1213 H ALA 17 H ALA 17 -1.669 -13.063 -9.750 1214 HA ALA 17 HA ALA 17 -4.104 -14.471 -9.704 1215 1HB ALA 17 1HB ALA 17 -1.385 -14.910 -8.781 1216 2HB ALA 17 2HB ALA 17 -2.590 -15.627 -7.712 1217 3HB ALA 17 3HB ALA 17 -2.562 -16.054 -9.422 1218 H ALA 18 H ALA 18 -2.701 -12.194 -7.509 1219 HA ALA 18 HA ALA 18 -4.310 -12.838 -5.239 1220 1HB ALA 18 1HB ALA 18 -2.763 -10.356 -5.973 1221 2HB ALA 18 2HB ALA 18 -3.583 -10.590 -4.428 1222 3HB ALA 18 3HB ALA 18 -2.256 -11.656 -4.892 1223 H LYS 19 H LYS 19 -4.633 -10.693 -8.016 1224 HA LYS 19 HA LYS 19 -7.088 -9.482 -7.113 1225 1HB LYS 19 2HB LYS 19 -5.981 -9.559 -9.920 1226 2HB LYS 19 3HB LYS 19 -7.144 -8.419 -9.261 1227 1HG LYS 19 2HG LYS 19 -5.371 -7.553 -7.762 1228 2HG LYS 19 3HG LYS 19 -4.222 -8.626 -8.565 1229 1HD LYS 19 2HD LYS 19 -5.831 -6.437 -9.886 1230 2HD LYS 19 3HD LYS 19 -4.111 -6.369 -9.497 1231 1HE LYS 19 2HE LYS 19 -3.547 -7.542 -11.317 1232 2HE LYS 19 3HE LYS 19 -4.827 -8.723 -11.054 1233 1HZ LYS 19 HZ1 LYS 19 -5.781 -6.161 -11.962 1234 2HZ LYS 19 HZ2 LYS 19 -4.755 -6.929 -13.067 1235 3HZ LYS 19 HZ3 LYS 19 -6.153 -7.711 -12.523 1236 H ALA 20 H ALA 20 -6.104 -12.315 -8.691 1237 HA ALA 20 HA ALA 20 -8.489 -12.847 -10.186 1238 1HB ALA 20 1HB ALA 20 -5.993 -13.846 -10.312 1239 2HB ALA 20 2HB ALA 20 -6.802 -15.141 -9.428 1240 3HB ALA 20 3HB ALA 20 -7.405 -14.641 -11.009 1241 H ASP 21 H ASP 21 -7.595 -13.211 -6.917 1242 HA ASP 21 HA ASP 21 -9.376 -15.381 -6.319 1243 1HB ASP 21 2HB ASP 21 -7.216 -14.155 -5.040 1244 2HB ASP 21 3HB ASP 21 -8.604 -13.800 -4.017 1245 H MET 22 H MET 22 -9.928 -12.171 -6.980 1246 HA MET 22 HA MET 22 -12.373 -12.158 -5.340 1247 1HB MET 22 2HB MET 22 -10.286 -10.140 -5.728 1248 2HB MET 22 3HB MET 22 -11.910 -9.525 -5.994 1249 1HG MET 22 2HG MET 22 -11.419 -9.127 -3.738 1250 2HG MET 22 3HG MET 22 -12.524 -10.498 -3.765 1251 1HE MET 22 1HE MET 22 -8.989 -10.222 -4.790 1252 2HE MET 22 2HE MET 22 -8.371 -9.815 -3.189 1253 3HE MET 22 3HE MET 22 -8.118 -11.432 -3.848 1254 H VAL 23 H VAL 23 -13.950 -10.449 -6.319 1255 HA VAL 23 HA VAL 23 -14.310 -11.073 -9.154 1256 HB VAL 23 HB VAL 23 -16.124 -9.459 -7.345 1257 1HG1 VAL 23 1HG1 VAL 23 -16.118 -9.603 -10.069 1258 2HG1 VAL 23 2HG1 VAL 23 -17.251 -10.885 -9.637 1259 3HG1 VAL 23 3HG1 VAL 23 -17.529 -9.236 -9.075 1260 1HG2 VAL 23 1HG2 VAL 23 -15.750 -12.353 -7.603 1261 2HG2 VAL 23 2HG2 VAL 23 -16.516 -11.416 -6.320 1262 3HG2 VAL 23 3HG2 VAL 23 -17.420 -11.819 -7.778 1263 H MET 24 H MET 24 -13.030 -9.814 -10.394 1264 HA MET 24 HA MET 24 -12.204 -7.217 -9.558 1265 1HB MET 24 2HB MET 24 -11.859 -8.728 -12.146 1266 2HB MET 24 3HB MET 24 -11.163 -7.138 -11.861 1267 1HG MET 24 2HG MET 24 -10.473 -8.791 -9.669 1268 2HG MET 24 3HG MET 24 -10.137 -9.683 -11.152 1269 1HE MET 24 1HE MET 24 -9.968 -6.518 -9.307 1270 2HE MET 24 2HE MET 24 -8.245 -6.592 -8.938 1271 3HE MET 24 3HE MET 24 -8.834 -5.493 -10.187 1272 H LEU 25 H LEU 25 -13.493 -5.527 -9.572 1273 HA LEU 25 HA LEU 25 -15.336 -5.193 -11.842 1274 1HB LEU 25 2HB LEU 25 -15.744 -4.980 -8.915 1275 2HB LEU 25 3HB LEU 25 -16.538 -3.769 -9.902 1276 HG LEU 25 HG LEU 25 -17.014 -6.723 -9.800 1277 1HD1 LEU 25 1HD1 LEU 25 -18.823 -4.314 -9.805 1278 2HD1 LEU 25 2HD1 LEU 25 -19.343 -5.994 -9.668 1279 3HD1 LEU 25 3HD1 LEU 25 -18.362 -5.268 -8.396 1280 1HD2 LEU 25 1HD2 LEU 25 -16.950 -5.140 -12.199 1281 2HD2 LEU 25 2HD2 LEU 25 -17.272 -6.864 -12.000 1282 3HD2 LEU 25 3HD2 LEU 25 -18.590 -5.698 -11.867 1283 H SER 26 H SER 26 -15.596 -3.187 -12.677 1284 HA SER 26 HA SER 26 -13.494 -1.262 -12.206 1285 1HB SER 26 2HB SER 26 -15.771 -0.521 -13.942 1286 2HB SER 26 3HB SER 26 -14.038 -0.451 -14.266 1287 HG SER 26 HG SER 26 -15.855 -2.542 -14.663 1288 HA PRO 27 HA PRO 27 -15.358 1.218 -9.112 1289 1HB PRO 27 2HB PRO 27 -14.956 3.745 -10.279 1290 2HB PRO 27 3HB PRO 27 -13.858 2.899 -9.188 1291 1HG PRO 27 2HG PRO 27 -13.842 3.033 -12.169 1292 2HG PRO 27 3HG PRO 27 -12.478 3.010 -11.035 1293 1HD PRO 27 2HD PRO 27 -13.104 0.827 -12.402 1294 2HD PRO 27 3HD PRO 27 -12.653 0.702 -10.691 1295 H LYS 28 H LYS 28 -16.482 1.585 -12.413 1296 HA LYS 28 HA LYS 28 -18.773 3.186 -11.738 1297 1HB LYS 28 2HB LYS 28 -17.883 1.694 -14.190 1298 2HB LYS 28 3HB LYS 28 -19.512 2.341 -14.074 1299 1HG LYS 28 2HG LYS 28 -17.432 4.272 -13.392 1300 2HG LYS 28 3HG LYS 28 -17.347 3.671 -15.051 1301 1HD LYS 28 2HD LYS 28 -19.945 4.112 -14.982 1302 2HD LYS 28 3HD LYS 28 -19.490 5.239 -13.702 1303 1HE LYS 28 2HE LYS 28 -19.609 6.276 -15.955 1304 2HE LYS 28 3HE LYS 28 -18.035 6.432 -15.181 1305 1HZ LYS 28 HZ1 LYS 28 -18.365 4.109 -16.895 1306 2HZ LYS 28 HZ2 LYS 28 -18.373 5.606 -17.688 1307 3HZ LYS 28 HZ3 LYS 28 -17.046 5.166 -16.728 1308 H ASP 29 H ASP 29 -18.151 -0.217 -12.495 1309 HA ASP 29 HA ASP 29 -20.830 -1.104 -12.106 1310 1HB ASP 29 2HB ASP 29 -18.477 -2.222 -13.078 1311 2HB ASP 29 3HB ASP 29 -18.785 -3.124 -11.595 1312 H ALA 30 H ALA 30 -18.055 -0.686 -10.072 1313 HA ALA 30 HA ALA 30 -19.039 -2.151 -7.834 1314 1HB ALA 30 1HB ALA 30 -16.625 -1.550 -8.265 1315 2HB ALA 30 2HB ALA 30 -17.023 0.074 -7.704 1316 3HB ALA 30 3HB ALA 30 -17.206 -1.304 -6.617 1317 H TYR 31 H TYR 31 -18.966 1.317 -8.637 1318 HA TYR 31 HA TYR 31 -20.320 2.146 -6.289 1319 1HB TYR 31 HB2 TYR 31 -18.984 3.720 -7.542 1320 2HB TYR 31 HB3 TYR 31 -19.972 3.486 -8.975 1321 HD1 TYR 31 HD1 TYR 31 -20.130 4.699 -5.471 1322 HD2 TYR 31 HD2 TYR 31 -21.804 4.896 -9.373 1323 HE1 TYR 31 HE1 TYR 31 -21.551 6.566 -4.754 1324 HE2 TYR 31 HE2 TYR 31 -23.241 6.765 -8.669 1325 HH TYR 31 HH TYR 31 -23.019 8.629 -6.739 1326 H LYS 32 H LYS 32 -21.374 0.959 -9.391 1327 HA LYS 32 HA LYS 32 -24.029 1.828 -9.402 1328 1HB LYS 32 2HB LYS 32 -23.273 0.876 -11.400 1329 2HB LYS 32 3HB LYS 32 -22.611 -0.536 -10.590 1330 1HG LYS 32 2HG LYS 32 -25.353 -0.614 -10.076 1331 2HG LYS 32 3HG LYS 32 -25.202 -0.149 -11.772 1332 1HD LYS 32 2HD LYS 32 -23.318 -2.216 -11.223 1333 2HD LYS 32 3HD LYS 32 -24.898 -2.720 -10.619 1334 1HE LYS 32 2HE LYS 32 -25.131 -3.418 -12.761 1335 2HE LYS 32 3HE LYS 32 -25.655 -1.750 -12.981 1336 1HZ LYS 32 HZ1 LYS 32 -22.829 -2.573 -13.342 1337 2HZ LYS 32 HZ2 LYS 32 -23.961 -2.642 -14.608 1338 3HZ LYS 32 HZ3 LYS 32 -23.594 -1.154 -13.883 1339 H LEU 33 H LEU 33 -22.701 -1.269 -8.182 1340 HA LEU 33 HA LEU 33 -25.217 -2.010 -7.026 1341 1HB LEU 33 2HB LEU 33 -23.602 -3.683 -5.771 1342 2HB LEU 33 3HB LEU 33 -24.090 -3.929 -7.433 1343 HG LEU 33 HG LEU 33 -21.796 -2.451 -7.722 1344 1HD1 LEU 33 1HD1 LEU 33 -21.636 -2.986 -5.124 1345 2HD1 LEU 33 2HD1 LEU 33 -20.973 -4.499 -5.741 1346 3HD1 LEU 33 3HD1 LEU 33 -20.213 -2.964 -6.168 1347 1HD2 LEU 33 1HD2 LEU 33 -22.137 -5.447 -7.629 1348 2HD2 LEU 33 2HD2 LEU 33 -22.405 -4.401 -9.022 1349 3HD2 LEU 33 3HD2 LEU 33 -20.779 -4.603 -8.371 1350 H LEU 34 H LEU 34 -22.440 -0.254 -5.969 1351 HA LEU 34 HA LEU 34 -22.766 -0.446 -3.176 1352 1HB LEU 34 2HB LEU 34 -21.214 1.123 -5.052 1353 2HB LEU 34 3HB LEU 34 -21.757 2.102 -3.703 1354 HG LEU 34 HG LEU 34 -20.534 -0.514 -3.038 1355 1HD1 LEU 34 1HD1 LEU 34 -19.131 0.475 -4.886 1356 2HD1 LEU 34 2HD1 LEU 34 -18.816 1.833 -3.805 1357 3HD1 LEU 34 3HD1 LEU 34 -18.303 0.208 -3.351 1358 1HD2 LEU 34 1HD2 LEU 34 -21.117 2.029 -1.801 1359 2HD2 LEU 34 2HD2 LEU 34 -20.727 0.477 -1.058 1360 3HD2 LEU 34 3HD2 LEU 34 -19.432 1.566 -1.558 1361 H GLN 35 H GLN 35 -23.995 1.901 -5.543 1362 HA GLN 35 HA GLN 35 -25.318 3.445 -3.541 1363 1HB GLN 35 2HB GLN 35 -25.951 4.900 -5.237 1364 2HB GLN 35 3HB GLN 35 -24.445 4.226 -5.834 1365 1HG GLN 35 2HG GLN 35 -25.475 3.049 -7.506 1366 2HG GLN 35 3HG GLN 35 -27.008 2.946 -6.641 1367 1HE2 GLN 35 1HE2 GLN 35 -28.567 4.341 -7.147 1368 2HE2 GLN 35 2HE2 GLN 35 -28.367 5.738 -8.158 1369 H GLU 36 H GLU 36 -26.261 0.715 -5.510 1370 HA GLU 36 HA GLU 36 -29.071 1.157 -5.088 1371 1HB GLU 36 2HB GLU 36 -27.481 -1.092 -6.313 1372 2HB GLU 36 3HB GLU 36 -29.233 -1.139 -6.155 1373 1HG GLU 36 2HG GLU 36 -27.917 1.170 -7.514 1374 2HG GLU 36 3HG GLU 36 -28.145 -0.353 -8.373 1375 H ASN 37 H ASN 37 -26.497 -0.659 -3.625 1376 HA ASN 37 HA ASN 37 -28.410 -1.729 -1.653 1377 1HB ASN 37 2HB ASN 37 -25.851 -3.088 -2.524 1378 2HB ASN 37 3HB ASN 37 -27.077 -3.730 -1.446 1379 1HD2 ASN 37 1HD2 ASN 37 -26.223 -3.041 -4.721 1380 2HD2 ASN 37 2HD2 ASN 37 -27.495 -3.953 -5.470 1381 HA PRO 38 HA PRO 38 -25.603 0.963 0.730 1382 1HB PRO 38 2HB PRO 38 -27.710 0.643 2.765 1383 2HB PRO 38 3HB PRO 38 -27.058 2.118 2.046 1384 1HG PRO 38 2HG PRO 38 -29.524 1.242 1.457 1385 2HG PRO 38 3HG PRO 38 -28.504 2.041 0.245 1386 1HD PRO 38 2HD PRO 38 -29.061 -0.880 0.627 1387 2HD PRO 38 3HD PRO 38 -28.973 0.064 -0.877 1388 H ASP 39 H ASP 39 -26.362 -2.226 0.971 1389 HA ASP 39 HA ASP 39 -25.168 -2.678 3.591 1390 1HB ASP 39 2HB ASP 39 -26.558 -4.418 1.577 1391 2HB ASP 39 3HB ASP 39 -25.497 -5.155 2.772 1392 H ILE 40 H ILE 40 -24.408 -2.523 0.280 1393 HA ILE 40 HA ILE 40 -21.988 -4.078 0.447 1394 HB ILE 40 HB ILE 40 -22.940 -2.226 -1.744 1395 1HG1 ILE 40 2HG1 ILE 40 -23.136 -5.227 -1.407 1396 2HG1 ILE 40 3HG1 ILE 40 -24.473 -4.083 -1.437 1397 1HG2 ILE 40 1HG2 ILE 40 -20.411 -3.428 -1.301 1398 2HG2 ILE 40 2HG2 ILE 40 -21.170 -4.257 -2.660 1399 3HG2 ILE 40 3HG2 ILE 40 -20.956 -2.507 -2.704 1400 1HD1 ILE 40 1HD1 ILE 40 -22.676 -4.223 -3.794 1401 2HD1 ILE 40 2HD1 ILE 40 -23.846 -5.516 -3.537 1402 3HD1 ILE 40 3HD1 ILE 40 -24.396 -3.848 -3.701 1403 H THR 41 H THR 41 -20.344 -3.340 1.500 1404 HA THR 41 HA THR 41 -19.940 -0.473 1.840 1405 HB THR 41 HB THR 41 -18.214 -2.605 3.061 1406 HG1 THR 41 HG1 THR 41 -20.860 -2.445 3.348 1407 1HG2 THR 41 1HG2 THR 41 -18.076 0.081 3.217 1408 2HG2 THR 41 2HG2 THR 41 -19.157 -0.246 4.571 1409 3HG2 THR 41 3HG2 THR 41 -17.561 -0.994 4.516 1410 H LEU 42 H LEU 42 -18.149 0.648 1.105 1411 HA LEU 42 HA LEU 42 -16.276 -0.871 -0.579 1412 1HB LEU 42 2HB LEU 42 -17.390 0.911 -1.826 1413 2HB LEU 42 3HB LEU 42 -16.928 2.082 -0.606 1414 HG LEU 42 HG LEU 42 -14.487 1.283 -1.257 1415 1HD1 LEU 42 1HD1 LEU 42 -16.202 0.482 -3.574 1416 2HD1 LEU 42 2HD1 LEU 42 -14.530 0.988 -3.808 1417 3HD1 LEU 42 3HD1 LEU 42 -14.894 -0.409 -2.797 1418 1HD2 LEU 42 1HD2 LEU 42 -15.790 3.544 -1.598 1419 2HD2 LEU 42 2HD2 LEU 42 -14.251 3.240 -2.405 1420 3HD2 LEU 42 3HD2 LEU 42 -15.770 3.038 -3.288 1421 H ILE 43 H ILE 43 -14.342 -1.159 0.218 1422 HA ILE 43 HA ILE 43 -13.446 0.611 2.395 1423 HB ILE 43 HB ILE 43 -12.858 -2.298 1.879 1424 1HG1 ILE 43 2HG1 ILE 43 -13.329 -1.592 4.605 1425 2HG1 ILE 43 3HG1 ILE 43 -14.568 -0.830 3.610 1426 1HG2 ILE 43 1HG2 ILE 43 -11.104 -0.292 3.089 1427 2HG2 ILE 43 2HG2 ILE 43 -11.406 -1.691 4.119 1428 3HG2 ILE 43 3HG2 ILE 43 -10.737 -1.914 2.503 1429 1HD1 ILE 43 1HD1 ILE 43 -14.034 -3.634 2.961 1430 2HD1 ILE 43 2HD1 ILE 43 -14.687 -3.353 4.575 1431 3HD1 ILE 43 3HD1 ILE 43 -15.564 -2.777 3.157 1432 H ASP 44 H ASP 44 -12.029 2.018 1.766 1433 HA ASP 44 HA ASP 44 -10.368 1.441 -0.578 1434 1HB ASP 44 2HB ASP 44 -11.273 3.518 -0.994 1435 2HB ASP 44 3HB ASP 44 -11.377 3.930 0.712 1436 H VAL 45 H VAL 45 -8.190 1.437 -0.497 1437 HA VAL 45 HA VAL 45 -6.939 2.014 2.097 1438 HB VAL 45 HB VAL 45 -5.222 0.148 1.226 1439 1HG1 VAL 45 1HG1 VAL 45 -7.711 -0.299 2.861 1440 2HG1 VAL 45 2HG1 VAL 45 -6.384 -1.456 2.753 1441 3HG1 VAL 45 3HG1 VAL 45 -6.105 0.145 3.438 1442 1HG2 VAL 45 1HG2 VAL 45 -7.909 -0.746 0.191 1443 2HG2 VAL 45 2HG2 VAL 45 -6.423 -0.523 -0.732 1444 3HG2 VAL 45 3HG2 VAL 45 -6.542 -1.827 0.449 1445 H ARG 46 H ARG 46 -6.216 3.947 1.445 1446 HA ARG 46 HA ARG 46 -3.946 3.925 -0.358 1447 1HB ARG 46 2HB ARG 46 -6.458 5.475 -0.814 1448 2HB ARG 46 3HB ARG 46 -4.925 6.253 -1.191 1449 1HG ARG 46 2HG ARG 46 -4.440 4.065 -2.503 1450 2HG ARG 46 3HG ARG 46 -6.189 3.857 -2.441 1451 1HD ARG 46 2HD ARG 46 -5.642 4.943 -4.495 1452 2HD ARG 46 3HD ARG 46 -6.429 6.119 -3.447 1453 HE ARG 46 HE ARG 46 -4.538 7.376 -3.525 1454 1HH1 ARG 46 1HH1 ARG 46 -3.698 4.110 -4.459 1455 2HH1 ARG 46 2HH1 ARG 46 -2.047 4.501 -4.818 1456 1HH2 ARG 46 1HH2 ARG 46 -2.359 7.907 -4.065 1457 2HH2 ARG 46 2HH2 ARG 46 -1.279 6.632 -4.562 1458 H ASP 47 H ASP 47 -2.702 5.966 -0.156 1459 HA ASP 47 HA ASP 47 -2.286 6.400 2.603 1460 1HB ASP 47 2HB ASP 47 -0.992 7.683 0.177 1461 2HB ASP 47 3HB ASP 47 -0.423 7.889 1.830 1462 HA PRO 48 HA PRO 48 -5.146 9.480 3.437 1463 1HB PRO 48 2HB PRO 48 -3.899 10.661 5.610 1464 2HB PRO 48 3HB PRO 48 -4.857 9.177 5.657 1465 1HG PRO 48 2HG PRO 48 -1.892 9.517 5.505 1466 2HG PRO 48 3HG PRO 48 -2.841 8.344 6.438 1467 1HD PRO 48 2HD PRO 48 -1.612 7.637 4.176 1468 2HD PRO 48 3HD PRO 48 -3.215 6.990 4.585 1469 H ASP 49 H ASP 49 -1.881 10.529 2.789 1470 HA ASP 49 HA ASP 49 -2.638 13.331 2.784 1471 1HB ASP 49 2HB ASP 49 -0.209 12.136 3.022 1472 2HB ASP 49 3HB ASP 49 -0.188 12.600 1.322 1473 H GLU 50 H GLU 50 -2.430 10.701 0.522 1474 HA GLU 50 HA GLU 50 -2.822 12.287 -1.841 1475 1HB GLU 50 2HB GLU 50 -3.405 9.356 -1.368 1476 2HB GLU 50 3HB GLU 50 -3.285 10.153 -2.930 1477 1HG GLU 50 2HG GLU 50 -0.899 10.618 -1.412 1478 2HG GLU 50 3HG GLU 50 -1.249 8.890 -1.485 1479 H LEU 51 H LEU 51 -4.839 10.500 0.429 1480 HA LEU 51 HA LEU 51 -7.342 10.823 -0.825 1481 1HB LEU 51 2HB LEU 51 -6.327 10.034 1.794 1482 2HB LEU 51 3HB LEU 51 -7.846 10.903 1.901 1483 HG LEU 51 HG LEU 51 -8.568 9.191 0.019 1484 1HD1 LEU 51 1HD1 LEU 51 -6.225 8.244 -0.020 1485 2HD1 LEU 51 2HD1 LEU 51 -6.575 7.556 1.564 1486 3HD1 LEU 51 3HD1 LEU 51 -7.533 7.077 0.163 1487 1HD2 LEU 51 1HD2 LEU 51 -8.975 9.478 2.747 1488 2HD2 LEU 51 2HD2 LEU 51 -9.912 8.474 1.641 1489 3HD2 LEU 51 3HD2 LEU 51 -8.565 7.774 2.540 1490 H LYS 52 H LYS 52 -5.430 12.874 1.212 1491 HA LYS 52 HA LYS 52 -7.483 14.818 1.689 1492 1HB LYS 52 2HB LYS 52 -4.872 14.288 2.661 1493 2HB LYS 52 3HB LYS 52 -4.862 15.926 2.021 1494 1HG LYS 52 2HG LYS 52 -5.586 16.460 4.070 1495 2HG LYS 52 3HG LYS 52 -7.159 15.969 3.438 1496 1HD LYS 52 2HD LYS 52 -7.137 14.683 5.315 1497 2HD LYS 52 3HD LYS 52 -6.273 13.582 4.241 1498 1HE LYS 52 2HE LYS 52 -4.789 13.571 5.951 1499 2HE LYS 52 3HE LYS 52 -4.201 15.019 5.135 1500 1HZ LYS 52 HZ1 LYS 52 -6.085 16.055 6.717 1501 2HZ LYS 52 HZ2 LYS 52 -5.577 14.749 7.675 1502 3HZ LYS 52 HZ3 LYS 52 -4.454 15.912 7.166 1503 H ALA 53 H ALA 53 -4.771 14.495 -0.540 1504 HA ALA 53 HA ALA 53 -5.090 17.133 -1.596 1505 1HB ALA 53 1HB ALA 53 -3.161 15.017 -1.755 1506 2HB ALA 53 2HB ALA 53 -3.507 15.658 -3.362 1507 3HB ALA 53 3HB ALA 53 -2.966 16.741 -2.079 1508 H MET 54 H MET 54 -5.757 13.867 -2.897 1509 HA MET 54 HA MET 54 -6.893 15.123 -5.277 1510 1HB MET 54 2HB MET 54 -5.970 12.363 -4.589 1511 2HB MET 54 3HB MET 54 -7.102 12.579 -5.918 1512 1HG MET 54 2HG MET 54 -5.276 14.452 -6.541 1513 2HG MET 54 3HG MET 54 -4.254 13.277 -5.717 1514 1HE MET 54 1HE MET 54 -3.308 11.578 -6.473 1515 2HE MET 54 2HE MET 54 -4.339 10.270 -7.049 1516 3HE MET 54 3HE MET 54 -3.218 11.061 -8.157 1517 H GLY 55 H GLY 55 -7.891 13.145 -2.561 1518 1HA GLY 55 1HA GLY 55 -10.205 13.651 -1.812 1519 2HA GLY 55 2HA GLY 55 -10.671 13.419 -3.489 1520 H LYS 56 H LYS 56 -12.029 11.999 -1.751 1521 HA LYS 56 HA LYS 56 -11.101 9.275 -2.265 1522 1HB LYS 56 2HB LYS 56 -11.693 8.524 -0.035 1523 2HB LYS 56 3HB LYS 56 -10.509 9.818 0.082 1524 1HG LYS 56 2HG LYS 56 -12.898 11.165 0.206 1525 2HG LYS 56 3HG LYS 56 -13.229 9.676 1.093 1526 1HD LYS 56 2HD LYS 56 -12.118 10.458 2.848 1527 2HD LYS 56 3HD LYS 56 -10.661 10.624 1.868 1528 1HE LYS 56 2HE LYS 56 -12.449 12.760 1.242 1529 2HE LYS 56 3HE LYS 56 -12.265 12.661 2.991 1530 1HZ LYS 56 HZ1 LYS 56 -9.850 12.701 2.685 1531 2HZ LYS 56 HZ2 LYS 56 -10.061 12.889 1.013 1532 3HZ LYS 56 HZ3 LYS 56 -10.593 14.099 2.074 1533 HA PRO 57 HA PRO 57 -15.171 8.565 -3.727 1534 1HB PRO 57 2HB PRO 57 -15.815 6.134 -2.574 1535 2HB PRO 57 3HB PRO 57 -14.850 6.341 -4.038 1536 1HG PRO 57 2HG PRO 57 -13.950 5.867 -1.229 1537 2HG PRO 57 3HG PRO 57 -13.293 5.219 -2.744 1538 1HD PRO 57 2HD PRO 57 -12.089 7.227 -1.427 1539 2HD PRO 57 3HD PRO 57 -12.110 7.160 -3.202 1540 H ASP 58 H ASP 58 -16.973 9.538 -3.132 1541 HA ASP 58 HA ASP 58 -17.784 9.494 -0.311 1542 1HB ASP 58 2HB ASP 58 -17.657 11.720 -1.293 1543 2HB ASP 58 3HB ASP 58 -18.729 11.232 -2.604 1544 H VAL 59 H VAL 59 -18.783 7.560 -0.061 1545 HA VAL 59 HA VAL 59 -21.299 7.270 -1.529 1546 HB VAL 59 HB VAL 59 -21.103 4.825 -1.528 1547 1HG1 VAL 59 1HG1 VAL 59 -19.841 6.585 -3.243 1548 2HG1 VAL 59 2HG1 VAL 59 -18.620 5.354 -2.916 1549 3HG1 VAL 59 3HG1 VAL 59 -20.199 4.885 -3.552 1550 1HG2 VAL 59 1HG2 VAL 59 -19.459 4.803 0.413 1551 2HG2 VAL 59 2HG2 VAL 59 -19.186 3.645 -0.891 1552 3HG2 VAL 59 3HG2 VAL 59 -18.210 5.112 -0.795 1553 H LYS 60 H LYS 60 -22.827 5.857 -0.381 1554 HA LYS 60 HA LYS 60 -23.355 6.838 2.157 1555 1HB LYS 60 2HB LYS 60 -24.721 4.403 2.009 1556 2HB LYS 60 3HB LYS 60 -25.326 5.987 1.540 1557 1HG LYS 60 2HG LYS 60 -24.642 5.643 -0.731 1558 2HG LYS 60 3HG LYS 60 -23.825 4.139 -0.302 1559 1HD LYS 60 2HD LYS 60 -25.699 3.045 -0.728 1560 2HD LYS 60 3HD LYS 60 -26.480 3.908 0.600 1561 1HE LYS 60 2HE LYS 60 -26.211 5.272 -2.032 1562 2HE LYS 60 3HE LYS 60 -27.430 4.011 -1.860 1563 1HZ LYS 60 HZ1 LYS 60 -28.161 5.286 0.192 1564 2HZ LYS 60 HZ2 LYS 60 -27.217 6.571 -0.394 1565 3HZ LYS 60 HZ3 LYS 60 -28.517 5.986 -1.314 1566 H ASN 61 H ASN 61 -21.795 3.815 1.219 1567 HA ASN 61 HA ASN 61 -21.140 3.362 4.050 1568 1HB ASN 61 2HB ASN 61 -22.816 1.766 2.761 1569 2HB ASN 61 3HB ASN 61 -21.327 1.064 2.146 1570 1HD2 ASN 61 1HD2 ASN 61 -22.972 -0.464 3.570 1571 2HD2 ASN 61 2HD2 ASN 61 -22.279 -0.805 5.114 1572 H TYR 62 H TYR 62 -19.226 4.655 3.516 1573 HA TYR 62 HA TYR 62 -17.193 3.076 2.084 1574 1HB TYR 62 HB2 TYR 62 -17.448 5.051 0.835 1575 2HB TYR 62 HB3 TYR 62 -17.666 6.041 2.274 1576 HD1 TYR 62 HD1 TYR 62 -15.045 3.760 0.892 1577 HD2 TYR 62 HD2 TYR 62 -15.949 7.481 2.730 1578 HE1 TYR 62 HE1 TYR 62 -12.667 4.350 0.838 1579 HE2 TYR 62 HE2 TYR 62 -13.567 8.095 2.681 1580 HH TYR 62 HH TYR 62 -11.136 5.985 1.169 1581 H LYS 63 H LYS 63 -15.533 2.359 3.283 1582 HA LYS 63 HA LYS 63 -14.906 3.821 5.752 1583 1HB LYS 63 2HB LYS 63 -14.732 0.815 5.535 1584 2HB LYS 63 3HB LYS 63 -14.611 1.809 6.979 1585 1HG LYS 63 2HG LYS 63 -16.995 2.485 6.576 1586 2HG LYS 63 3HG LYS 63 -17.066 1.203 5.368 1587 1HD LYS 63 2HD LYS 63 -16.269 -0.360 7.203 1588 2HD LYS 63 3HD LYS 63 -16.598 0.958 8.331 1589 1HE LYS 63 2HE LYS 63 -18.851 0.640 6.619 1590 2HE LYS 63 3HE LYS 63 -18.406 -0.943 7.256 1591 1HZ LYS 63 HZ1 LYS 63 -18.459 1.240 9.184 1592 2HZ LYS 63 HZ2 LYS 63 -19.964 0.783 8.544 1593 3HZ LYS 63 HZ3 LYS 63 -18.997 -0.363 9.336 1594 H HIS 64 H HIS 64 -12.890 4.555 5.719 1595 HA HIS 64 HA HIS 64 -10.967 3.383 3.850 1596 1HB HIS 64 2HB HIS 64 -11.251 5.805 3.737 1597 2HB HIS 64 3HB HIS 64 -10.893 5.954 5.453 1598 HD1 HIS 64 HD1 HIS 64 -8.785 7.318 5.337 1599 HD2 HIS 64 HD2 HIS 64 -8.635 3.934 2.924 1600 HE1 HIS 64 HE1 HIS 64 -6.409 7.185 4.488 1601 HE2 HIS 64 HE2 HIS 64 -6.439 5.301 2.833 1602 H MET 65 H MET 65 -9.675 1.825 4.626 1603 HA MET 65 HA MET 65 -9.020 1.819 7.478 1604 1HB MET 65 2HB MET 65 -9.389 -0.205 5.437 1605 2HB MET 65 3HB MET 65 -7.833 -0.392 6.231 1606 1HG MET 65 2HG MET 65 -8.930 -1.538 7.778 1607 2HG MET 65 3HG MET 65 -9.536 0.020 8.336 1608 1HE MET 65 1HE MET 65 -11.654 0.933 8.103 1609 2HE MET 65 2HE MET 65 -11.918 0.951 6.359 1610 3HE MET 65 3HE MET 65 -13.105 0.196 7.425 1611 H SER 66 H SER 66 -6.713 1.059 7.922 1612 HA SER 66 HA SER 66 -4.827 2.812 6.654 1613 1HB SER 66 2HB SER 66 -3.682 0.635 8.227 1614 2HB SER 66 3HB SER 66 -3.574 2.376 8.482 1615 HG SER 66 HG SER 66 -5.109 0.563 9.757 1616 H ARG 67 H ARG 67 -3.256 2.209 5.154 1617 HA ARG 67 HA ARG 67 -4.071 0.300 3.308 1618 1HB ARG 67 2HB ARG 67 -1.282 1.426 3.528 1619 2HB ARG 67 3HB ARG 67 -2.078 0.823 2.080 1620 1HG ARG 67 2HG ARG 67 -2.651 2.919 1.655 1621 2HG ARG 67 3HG ARG 67 -3.776 2.803 3.007 1622 1HD ARG 67 2HD ARG 67 -1.034 3.352 3.833 1623 2HD ARG 67 3HD ARG 67 -1.703 4.595 2.776 1624 HE ARG 67 HE ARG 67 -3.660 4.485 4.466 1625 1HH1 ARG 67 1HH1 ARG 67 -0.247 4.256 5.165 1626 2HH1 ARG 67 2HH1 ARG 67 -0.407 4.780 6.807 1627 1HH2 ARG 67 1HH2 ARG 67 -3.876 5.235 6.637 1628 2HH2 ARG 67 2HH2 ARG 67 -2.468 5.353 7.639 1629 H GLY 68 H GLY 68 -1.565 0.111 5.753 1630 1HA GLY 68 1HA GLY 68 -1.151 -2.723 5.078 1631 2HA GLY 68 2HA GLY 68 -0.031 -1.739 6.013 1632 H LYS 69 H LYS 69 -1.707 -0.523 7.777 1633 HA LYS 69 HA LYS 69 -2.241 -2.692 9.602 1634 1HB LYS 69 2HB LYS 69 -1.208 -0.238 9.973 1635 2HB LYS 69 3HB LYS 69 -2.892 0.107 10.339 1636 1HG LYS 69 2HG LYS 69 -2.216 -2.267 11.708 1637 2HG LYS 69 3HG LYS 69 -0.915 -1.105 11.986 1638 1HD LYS 69 2HD LYS 69 -2.996 0.520 12.354 1639 2HD LYS 69 3HD LYS 69 -3.769 -1.004 12.795 1640 1HE LYS 69 2HE LYS 69 -2.316 -1.367 14.578 1641 2HE LYS 69 3HE LYS 69 -1.112 -0.243 13.947 1642 1HZ LYS 69 HZ1 LYS 69 -2.906 1.516 14.332 1643 2HZ LYS 69 HZ2 LYS 69 -3.654 0.361 15.322 1644 3HZ LYS 69 HZ3 LYS 69 -2.090 0.909 15.688 1645 H LEU 70 H LEU 70 -3.972 -2.676 7.399 1646 HA LEU 70 HA LEU 70 -6.510 -1.558 8.171 1647 1HB LEU 70 2HB LEU 70 -7.272 -2.268 6.160 1648 2HB LEU 70 3HB LEU 70 -5.563 -2.388 5.797 1649 HG LEU 70 HG LEU 70 -6.312 -4.866 6.928 1650 1HD1 LEU 70 1HD1 LEU 70 -8.554 -3.637 5.717 1651 2HD1 LEU 70 2HD1 LEU 70 -8.000 -4.921 4.642 1652 3HD1 LEU 70 3HD1 LEU 70 -8.399 -5.287 6.322 1653 1HD2 LEU 70 1HD2 LEU 70 -5.307 -3.790 4.375 1654 2HD2 LEU 70 2HD2 LEU 70 -4.692 -5.103 5.380 1655 3HD2 LEU 70 3HD2 LEU 70 -6.059 -5.384 4.301 1656 H GLU 71 H GLU 71 -4.740 -4.476 8.540 1657 HA GLU 71 HA GLU 71 -6.609 -6.346 9.164 1658 1HB GLU 71 2HB GLU 71 -4.444 -6.579 11.073 1659 2HB GLU 71 3HB GLU 71 -4.862 -7.618 9.719 1660 1HG GLU 71 2HG GLU 71 -3.150 -6.858 8.540 1661 2HG GLU 71 3HG GLU 71 -3.677 -5.189 8.761 1662 HA PRO 72 HA PRO 72 -7.034 -5.154 13.786 1663 1HB PRO 72 2HB PRO 72 -5.603 -2.679 14.294 1664 2HB PRO 72 3HB PRO 72 -5.405 -4.255 15.063 1665 1HG PRO 72 2HG PRO 72 -3.532 -3.158 13.431 1666 2HG PRO 72 3HG PRO 72 -3.764 -4.908 13.606 1667 1HD PRO 72 2HD PRO 72 -4.733 -3.074 11.444 1668 2HD PRO 72 3HD PRO 72 -4.022 -4.696 11.308 1669 H LEU 73 H LEU 73 -7.078 -2.759 11.314 1670 HA LEU 73 HA LEU 73 -8.852 -0.981 12.767 1671 1HB LEU 73 2HB LEU 73 -7.130 -0.834 10.430 1672 2HB LEU 73 3HB LEU 73 -8.693 -0.102 10.121 1673 HG LEU 73 HG LEU 73 -7.006 1.528 10.886 1674 1HD1 LEU 73 1HD1 LEU 73 -9.433 1.828 11.333 1675 2HD1 LEU 73 2HD1 LEU 73 -9.173 1.150 12.938 1676 3HD1 LEU 73 3HD1 LEU 73 -8.380 2.655 12.478 1677 1HD2 LEU 73 1HD2 LEU 73 -6.052 -0.350 12.513 1678 2HD2 LEU 73 2HD2 LEU 73 -5.833 1.374 12.824 1679 3HD2 LEU 73 3HD2 LEU 73 -7.108 0.482 13.654 1680 H LEU 74 H LEU 74 -9.067 -3.522 10.505 1681 HA LEU 74 HA LEU 74 -11.293 -2.849 9.014 1682 1HB LEU 74 2HB LEU 74 -9.789 -4.660 8.454 1683 2HB LEU 74 3HB LEU 74 -10.281 -5.552 9.878 1684 HG LEU 74 HG LEU 74 -12.670 -5.280 8.641 1685 1HD1 LEU 74 1HD1 LEU 74 -10.881 -4.411 6.706 1686 2HD1 LEU 74 2HD1 LEU 74 -11.231 -6.083 6.266 1687 3HD1 LEU 74 3HD1 LEU 74 -12.549 -4.924 6.451 1688 1HD2 LEU 74 1HD2 LEU 74 -11.387 -7.307 9.528 1689 2HD2 LEU 74 2HD2 LEU 74 -12.502 -7.566 8.187 1690 3HD2 LEU 74 3HD2 LEU 74 -10.766 -7.471 7.885 1691 H ALA 75 H ALA 75 -11.221 -4.858 11.960 1692 HA ALA 75 HA ALA 75 -14.033 -5.255 11.949 1693 1HB ALA 75 1HB ALA 75 -11.771 -6.121 13.517 1694 2HB ALA 75 2HB ALA 75 -13.176 -5.782 14.525 1695 3HB ALA 75 3HB ALA 75 -13.302 -6.935 13.197 1696 H LYS 76 H LYS 76 -12.089 -2.701 13.068 1697 HA LYS 76 HA LYS 76 -13.755 -1.856 15.219 1698 1HB LYS 76 2HB LYS 76 -11.824 -0.068 13.779 1699 2HB LYS 76 3HB LYS 76 -12.290 -0.046 15.475 1700 1HG LYS 76 2HG LYS 76 -10.930 -2.462 14.413 1701 2HG LYS 76 3HG LYS 76 -9.980 -1.007 14.699 1702 1HD LYS 76 2HD LYS 76 -9.915 -1.455 16.877 1703 2HD LYS 76 3HD LYS 76 -11.677 -1.438 16.946 1704 1HE LYS 76 2HE LYS 76 -11.098 -3.563 17.724 1705 2HE LYS 76 3HE LYS 76 -11.551 -3.829 16.042 1706 1HZ LYS 76 HZ1 LYS 76 -8.799 -3.259 16.174 1707 2HZ LYS 76 HZ2 LYS 76 -9.150 -4.485 17.293 1708 3HZ LYS 76 HZ3 LYS 76 -9.560 -4.688 15.660 1709 H SER 77 H SER 77 -13.735 -1.347 11.804 1710 HA SER 77 HA SER 77 -15.330 1.034 11.854 1711 1HB SER 77 2HB SER 77 -15.426 -0.480 9.371 1712 2HB SER 77 3HB SER 77 -14.778 1.133 9.681 1713 HG SER 77 HG SER 77 -12.839 0.284 10.182 1714 H GLY 78 H GLY 78 -15.939 -2.410 11.805 1715 1HA GLY 78 1HA GLY 78 -17.999 -3.352 12.454 1716 2HA GLY 78 2HA GLY 78 -18.793 -1.837 12.053 1717 H LEU 79 H LEU 79 -17.349 -4.747 10.733 1718 HA LEU 79 HA LEU 79 -19.010 -4.399 8.323 1719 1HB LEU 79 2HB LEU 79 -16.256 -5.632 8.487 1720 2HB LEU 79 3HB LEU 79 -17.265 -5.600 7.052 1721 HG LEU 79 HG LEU 79 -16.526 -3.027 8.374 1722 1HD1 LEU 79 1HD1 LEU 79 -14.646 -4.912 7.299 1723 2HD1 LEU 79 2HD1 LEU 79 -14.685 -3.449 6.315 1724 3HD1 LEU 79 3HD1 LEU 79 -14.358 -3.339 8.044 1725 1HD2 LEU 79 1HD2 LEU 79 -17.564 -3.966 5.778 1726 2HD2 LEU 79 2HD2 LEU 79 -17.888 -2.474 6.661 1727 3HD2 LEU 79 3HD2 LEU 79 -16.408 -2.635 5.714 1728 H ASP 80 H ASP 80 -20.066 -6.262 7.554 1729 HA ASP 80 HA ASP 80 -19.901 -8.584 9.356 1730 1HB ASP 80 2HB ASP 80 -22.077 -7.611 9.553 1731 2HB ASP 80 3HB ASP 80 -22.232 -7.441 7.808 1732 HA PRO 81 HA PRO 81 -18.213 -10.674 5.866 1733 1HB PRO 81 2HB PRO 81 -18.521 -13.240 6.760 1734 2HB PRO 81 3HB PRO 81 -17.246 -12.144 7.311 1735 1HG PRO 81 2HG PRO 81 -19.859 -12.817 8.609 1736 2HG PRO 81 3HG PRO 81 -18.255 -12.643 9.344 1737 1HD PRO 81 2HD PRO 81 -20.096 -10.695 9.494 1738 2HD PRO 81 3HD PRO 81 -18.363 -10.334 9.341 1739 H GLU 82 H GLU 82 -21.503 -10.880 6.690 1740 HA GLU 82 HA GLU 82 -22.048 -12.664 4.429 1741 1HB GLU 82 2HB GLU 82 -23.923 -11.584 6.537 1742 2HB GLU 82 3HB GLU 82 -24.363 -12.705 5.254 1743 1HG GLU 82 2HG GLU 82 -22.140 -13.454 7.070 1744 2HG GLU 82 3HG GLU 82 -23.790 -13.524 7.686 1745 H LYS 83 H LYS 83 -21.449 -9.533 4.876 1746 HA LYS 83 HA LYS 83 -23.475 -8.633 2.945 1747 1HB LYS 83 2HB LYS 83 -21.665 -6.957 4.700 1748 2HB LYS 83 3HB LYS 83 -22.922 -6.351 3.631 1749 1HG LYS 83 2HG LYS 83 -23.319 -8.036 6.094 1750 2HG LYS 83 3HG LYS 83 -23.688 -6.320 5.917 1751 1HD LYS 83 2HD LYS 83 -25.493 -6.739 4.486 1752 2HD LYS 83 3HD LYS 83 -24.940 -8.375 4.124 1753 1HE LYS 83 2HE LYS 83 -25.802 -7.538 6.880 1754 2HE LYS 83 3HE LYS 83 -26.941 -8.150 5.681 1755 1HZ LYS 83 HZ1 LYS 83 -25.600 -10.184 5.543 1756 2HZ LYS 83 HZ2 LYS 83 -24.575 -9.595 6.764 1757 3HZ LYS 83 HZ3 LYS 83 -26.207 -9.926 7.106 1758 HA PRO 84 HA PRO 84 -20.296 -8.520 -0.139 1759 1HB PRO 84 2HB PRO 84 -21.807 -6.369 -1.456 1760 2HB PRO 84 3HB PRO 84 -21.460 -8.006 -2.025 1761 1HG PRO 84 2HG PRO 84 -23.930 -7.285 -1.282 1762 2HG PRO 84 3HG PRO 84 -23.295 -8.909 -0.953 1763 1HD PRO 84 2HD PRO 84 -23.497 -6.549 0.894 1764 2HD PRO 84 3HD PRO 84 -23.927 -8.253 1.194 1765 H VAL 85 H VAL 85 -18.424 -7.480 -0.311 1766 HA VAL 85 HA VAL 85 -18.324 -4.601 0.252 1767 HB VAL 85 HB VAL 85 -16.117 -5.028 1.442 1768 1HG1 VAL 85 1HG1 VAL 85 -18.317 -4.438 2.535 1769 2HG1 VAL 85 2HG1 VAL 85 -18.499 -6.156 2.892 1770 3HG1 VAL 85 3HG1 VAL 85 -17.139 -5.256 3.563 1771 1HG2 VAL 85 1HG2 VAL 85 -17.245 -7.820 1.585 1772 2HG2 VAL 85 2HG2 VAL 85 -15.777 -7.323 0.739 1773 3HG2 VAL 85 3HG2 VAL 85 -15.857 -7.226 2.498 1774 H VAL 86 H VAL 86 -16.663 -3.491 -0.802 1775 HA VAL 86 HA VAL 86 -15.097 -5.082 -2.710 1776 HB VAL 86 HB VAL 86 -16.623 -4.148 -4.182 1777 1HG1 VAL 86 1HG1 VAL 86 -16.646 -1.725 -2.413 1778 2HG1 VAL 86 2HG1 VAL 86 -17.358 -1.728 -4.027 1779 3HG1 VAL 86 3HG1 VAL 86 -17.969 -2.828 -2.789 1780 1HG2 VAL 86 1HG2 VAL 86 -14.065 -3.205 -4.317 1781 2HG2 VAL 86 2HG2 VAL 86 -15.286 -3.016 -5.577 1782 3HG2 VAL 86 3HG2 VAL 86 -15.011 -1.719 -4.413 1783 H VAL 87 H VAL 87 -13.001 -4.440 -2.996 1784 HA VAL 87 HA VAL 87 -12.040 -2.437 -1.073 1785 HB VAL 87 HB VAL 87 -9.763 -3.527 -1.558 1786 1HG1 VAL 87 1HG1 VAL 87 -12.006 -4.529 0.062 1787 2HG1 VAL 87 2HG1 VAL 87 -10.672 -5.662 -0.167 1788 3HG1 VAL 87 3HG1 VAL 87 -10.370 -4.074 0.543 1789 1HG2 VAL 87 1HG2 VAL 87 -11.607 -5.591 -2.742 1790 2HG2 VAL 87 2HG2 VAL 87 -10.255 -4.774 -3.527 1791 3HG2 VAL 87 3HG2 VAL 87 -9.954 -5.933 -2.231 1792 H PHE 88 H PHE 88 -11.399 -0.561 -1.809 1793 HA PHE 88 HA PHE 88 -10.876 -0.290 -4.688 1794 1HB PHE 88 2HB PHE 88 -12.839 0.916 -3.552 1795 2HB PHE 88 3HB PHE 88 -11.624 1.944 -2.803 1796 HD1 PHE 88 HD1 PHE 88 -11.976 0.587 -6.277 1797 HD2 PHE 88 HD2 PHE 88 -11.714 4.024 -3.772 1798 HE1 PHE 88 HE1 PHE 88 -11.923 2.026 -8.259 1799 HE2 PHE 88 HE2 PHE 88 -11.662 5.460 -5.755 1800 HZ PHE 88 HZ PHE 88 -11.764 4.465 -8.002 1801 H CYS 89 H CYS 89 -9.136 0.840 -5.433 1802 HA CYS 89 HA CYS 89 -7.431 2.493 -4.013 1803 1HB CYS 89 2HB CYS 89 -6.818 0.505 -2.691 1804 2HB CYS 89 3HB CYS 89 -6.370 -0.343 -4.167 1805 H LYS 90 H LYS 90 -6.775 -0.266 -6.143 1806 HA LYS 90 HA LYS 90 -6.752 1.144 -8.558 1807 1HB LYS 90 2HB LYS 90 -4.436 1.634 -7.027 1808 2HB LYS 90 3HB LYS 90 -3.956 0.462 -8.247 1809 1HG LYS 90 2HG LYS 90 -5.490 2.416 -9.570 1810 2HG LYS 90 3HG LYS 90 -4.367 3.273 -8.511 1811 1HD LYS 90 2HD LYS 90 -2.827 1.263 -9.635 1812 2HD LYS 90 3HD LYS 90 -3.859 1.802 -10.963 1813 1HE LYS 90 2HE LYS 90 -2.462 3.811 -9.247 1814 2HE LYS 90 3HE LYS 90 -1.576 2.982 -10.526 1815 1HZ LYS 90 HZ1 LYS 90 -3.802 3.752 -11.809 1816 2HZ LYS 90 HZ2 LYS 90 -3.610 5.032 -10.714 1817 3HZ LYS 90 HZ3 LYS 90 -2.358 4.639 -11.790 1818 H THR 91 H THR 91 -5.082 -0.256 -10.103 1819 HA THR 91 HA THR 91 -6.064 -2.971 -9.925 1820 HB THR 91 HB THR 91 -4.028 -2.601 -11.932 1821 HG1 THR 91 HG1 THR 91 -6.134 -0.665 -11.875 1822 1HG2 THR 91 1HG2 THR 91 -6.936 -3.267 -11.823 1823 2HG2 THR 91 2HG2 THR 91 -6.203 -2.875 -13.378 1824 3HG2 THR 91 3HG2 THR 91 -5.586 -4.226 -12.428 1825 H ALA 92 H ALA 92 -4.796 -2.915 -7.720 1826 HA ALA 92 HA ALA 92 -2.122 -4.042 -8.202 1827 1HB ALA 92 1HB ALA 92 -2.235 -1.569 -7.464 1828 2HB ALA 92 2HB ALA 92 -2.634 -2.234 -5.881 1829 3HB ALA 92 3HB ALA 92 -1.107 -2.656 -6.654 1830 H ALA 93 H ALA 93 -1.216 -5.084 -6.253 1831 HA ALA 93 HA ALA 93 -3.004 -7.031 -5.200 1832 1HB ALA 93 1HB ALA 93 -0.123 -6.488 -5.104 1833 2HB ALA 93 2HB ALA 93 -0.772 -7.292 -3.677 1834 3HB ALA 93 3HB ALA 93 -0.986 -8.015 -5.270 1835 H ARG 94 H ARG 94 -1.840 -3.960 -4.117 1836 HA ARG 94 HA ARG 94 -1.969 -4.046 -1.394 1837 1HB ARG 94 2HB ARG 94 -1.303 -2.061 -2.644 1838 2HB ARG 94 3HB ARG 94 -2.955 -1.831 -3.195 1839 1HG ARG 94 2HG ARG 94 -3.641 -0.953 -1.223 1840 2HG ARG 94 3HG ARG 94 -2.518 -1.924 -0.270 1841 1HD ARG 94 2HD ARG 94 -1.215 -0.131 -0.106 1842 2HD ARG 94 3HD ARG 94 -0.914 -0.260 -1.837 1843 HE ARG 94 HE ARG 94 -3.341 1.146 -1.185 1844 1HH1 ARG 94 1HH1 ARG 94 0.118 1.471 -1.697 1845 2HH1 ARG 94 2HH1 ARG 94 0.026 3.175 -2.056 1846 1HH2 ARG 94 1HH2 ARG 94 -3.428 3.377 -1.692 1847 2HH2 ARG 94 2HH2 ARG 94 -1.956 4.235 -2.059 1848 H ALA 95 H ALA 95 -4.740 -3.433 -3.556 1849 HA ALA 95 HA ALA 95 -6.632 -3.360 -1.415 1850 1HB ALA 95 1HB ALA 95 -6.956 -3.575 -4.402 1851 2HB ALA 95 2HB ALA 95 -8.313 -3.487 -3.279 1852 3HB ALA 95 3HB ALA 95 -7.171 -2.148 -3.388 1853 H ALA 96 H ALA 96 -5.476 -5.804 -3.651 1854 HA ALA 96 HA ALA 96 -7.395 -7.786 -3.209 1855 1HB ALA 96 1HB ALA 96 -5.416 -7.595 -4.927 1856 2HB ALA 96 2HB ALA 96 -4.564 -8.553 -3.715 1857 3HB ALA 96 3HB ALA 96 -6.049 -9.168 -4.443 1858 H LEU 97 H LEU 97 -4.645 -6.797 -1.323 1859 HA LEU 97 HA LEU 97 -4.421 -9.128 0.280 1860 1HB LEU 97 2HB LEU 97 -3.362 -6.391 0.337 1861 2HB LEU 97 3HB LEU 97 -3.579 -7.107 1.927 1862 HG LEU 97 HG LEU 97 -1.292 -7.353 0.758 1863 1HD1 LEU 97 1HD1 LEU 97 -2.769 -9.686 1.956 1864 2HD1 LEU 97 2HD1 LEU 97 -1.024 -9.642 1.698 1865 3HD1 LEU 97 3HD1 LEU 97 -1.783 -8.489 2.798 1866 1HD2 LEU 97 1HD2 LEU 97 -2.905 -8.565 -1.200 1867 2HD2 LEU 97 2HD2 LEU 97 -1.143 -8.490 -1.145 1868 3HD2 LEU 97 3HD2 LEU 97 -1.987 -9.865 -0.436 1869 H ALA 98 H ALA 98 -6.287 -6.151 0.590 1870 HA ALA 98 HA ALA 98 -7.339 -6.758 3.161 1871 1HB ALA 98 1HB ALA 98 -7.642 -4.664 1.163 1872 2HB ALA 98 2HB ALA 98 -9.155 -5.049 1.986 1873 3HB ALA 98 3HB ALA 98 -7.736 -4.572 2.922 1874 H GLY 99 H GLY 99 -8.452 -7.243 -0.148 1875 1HA GLY 99 1HA GLY 99 -11.029 -8.206 0.625 1876 2HA GLY 99 2HA GLY 99 -10.334 -8.270 -0.985 1877 H LYS 100 H LYS 100 -8.161 -9.854 -0.694 1878 HA LYS 100 HA LYS 100 -9.392 -12.339 -0.852 1879 1HB LYS 100 2HB LYS 100 -7.427 -13.091 -1.710 1880 2HB LYS 100 3HB LYS 100 -7.118 -11.364 -1.818 1881 1HG LYS 100 2HG LYS 100 -5.497 -11.421 -0.246 1882 2HG LYS 100 3HG LYS 100 -6.304 -12.673 0.702 1883 1HD LYS 100 2HD LYS 100 -4.801 -13.104 -1.882 1884 2HD LYS 100 3HD LYS 100 -4.204 -13.485 -0.267 1885 1HE LYS 100 2HE LYS 100 -6.811 -14.645 -1.090 1886 2HE LYS 100 3HE LYS 100 -5.352 -15.306 -1.823 1887 1HZ LYS 100 HZ1 LYS 100 -5.047 -15.022 0.988 1888 2HZ LYS 100 HZ2 LYS 100 -6.410 -15.962 0.629 1889 3HZ LYS 100 HZ3 LYS 100 -4.889 -16.405 0.026 1890 H THR 101 H THR 101 -7.782 -10.836 1.845 1891 HA THR 101 HA THR 101 -7.629 -13.231 3.410 1892 HB THR 101 HB THR 101 -7.724 -10.443 4.553 1893 HG1 THR 101 HG1 THR 101 -6.064 -10.078 3.247 1894 1HG2 THR 101 1HG2 THR 101 -7.685 -12.371 6.101 1895 2HG2 THR 101 2HG2 THR 101 -6.183 -12.914 5.355 1896 3HG2 THR 101 3HG2 THR 101 -6.232 -11.380 6.223 1897 H LEU 102 H LEU 102 -9.955 -10.651 2.915 1898 HA LEU 102 HA LEU 102 -11.677 -11.288 5.056 1899 1HB LEU 102 2HB LEU 102 -11.943 -9.701 2.537 1900 2HB LEU 102 3HB LEU 102 -13.372 -10.052 3.489 1901 HG LEU 102 HG LEU 102 -10.985 -8.399 4.247 1902 1HD1 LEU 102 1HD1 LEU 102 -13.736 -7.931 3.488 1903 2HD1 LEU 102 2HD1 LEU 102 -13.347 -7.194 5.041 1904 3HD1 LEU 102 3HD1 LEU 102 -12.390 -6.800 3.613 1905 1HD2 LEU 102 1HD2 LEU 102 -12.668 -10.047 5.976 1906 2HD2 LEU 102 2HD2 LEU 102 -11.110 -9.284 6.298 1907 3HD2 LEU 102 3HD2 LEU 102 -12.595 -8.349 6.446 1908 H ARG 103 H ARG 103 -11.672 -12.279 1.642 1909 HA ARG 103 HA ARG 103 -14.124 -13.666 1.740 1910 1HB ARG 103 2HB ARG 103 -13.427 -14.776 -0.309 1911 2HB ARG 103 3HB ARG 103 -13.037 -13.065 -0.380 1912 1HG ARG 103 2HG ARG 103 -11.054 -13.794 -1.127 1913 2HG ARG 103 3HG ARG 103 -10.718 -14.089 0.577 1914 1HD ARG 103 2HD ARG 103 -10.273 -16.161 -0.087 1915 2HD ARG 103 3HD ARG 103 -12.022 -16.347 -0.105 1916 HE ARG 103 HE ARG 103 -10.281 -15.947 -2.439 1917 1HH1 ARG 103 1HH1 ARG 103 -13.445 -16.696 -1.126 1918 2HH1 ARG 103 2HH1 ARG 103 -14.099 -17.184 -2.661 1919 1HH2 ARG 103 1HH2 ARG 103 -11.121 -16.607 -4.423 1920 2HH2 ARG 103 2HH2 ARG 103 -12.771 -17.140 -4.536 1921 H GLU 104 H GLU 104 -10.953 -14.476 2.821 1922 HA GLU 104 HA GLU 104 -11.326 -17.291 3.099 1923 1HB GLU 104 2HB GLU 104 -9.260 -15.336 3.643 1924 2HB GLU 104 3HB GLU 104 -9.404 -16.498 4.955 1925 1HG GLU 104 2HG GLU 104 -8.382 -18.062 3.774 1926 2HG GLU 104 3HG GLU 104 -9.474 -17.830 2.409 1927 H TYR 105 H TYR 105 -12.732 -14.737 4.696 1928 HA TYR 105 HA TYR 105 -12.976 -16.241 7.210 1929 1HB TYR 105 HB2 TYR 105 -13.594 -13.334 6.649 1930 2HB TYR 105 HB3 TYR 105 -13.774 -14.134 8.208 1931 HD1 TYR 105 HD1 TYR 105 -11.308 -15.808 8.180 1932 HD2 TYR 105 HD2 TYR 105 -11.910 -11.733 7.119 1933 HE1 TYR 105 HE1 TYR 105 -8.952 -15.336 8.685 1934 HE2 TYR 105 HE2 TYR 105 -9.548 -11.252 7.630 1935 HH TYR 105 HH TYR 105 -7.251 -13.637 7.937 1936 H GLY 106 H GLY 106 -14.536 -15.664 4.341 1937 1HA GLY 106 1HA GLY 106 -16.514 -16.991 3.945 1938 2HA GLY 106 2HA GLY 106 -17.074 -16.548 5.551 1939 H PHE 107 H PHE 107 -15.668 -13.990 3.804 1940 HA PHE 107 HA PHE 107 -18.025 -12.469 3.805 1941 1HB PHE 107 2HB PHE 107 -15.282 -12.142 2.745 1942 2HB PHE 107 3HB PHE 107 -16.526 -11.164 1.971 1943 HD1 PHE 107 HD1 PHE 107 -14.957 -11.956 5.227 1944 HD2 PHE 107 HD2 PHE 107 -17.407 -9.254 3.032 1945 HE1 PHE 107 HE1 PHE 107 -14.836 -10.341 7.084 1946 HE2 PHE 107 HE2 PHE 107 -17.288 -7.637 4.885 1947 HZ PHE 107 HZ PHE 107 -16.003 -8.181 6.912 1948 H LYS 108 H LYS 108 -19.673 -12.416 2.516 1949 HA LYS 108 HA LYS 108 -20.203 -14.358 0.654 1950 1HB LYS 108 2HB LYS 108 -21.538 -12.112 1.767 1951 2HB LYS 108 3HB LYS 108 -21.800 -12.079 0.029 1952 1HG LYS 108 2HG LYS 108 -22.206 -14.732 0.773 1953 2HG LYS 108 3HG LYS 108 -22.984 -13.768 2.031 1954 1HD LYS 108 2HD LYS 108 -23.414 -13.254 -0.899 1955 2HD LYS 108 3HD LYS 108 -24.408 -14.384 0.022 1956 1HE LYS 108 2HE LYS 108 -25.209 -12.667 1.440 1957 2HE LYS 108 3HE LYS 108 -23.998 -11.524 0.858 1958 1HZ LYS 108 HZ1 LYS 108 -25.171 -11.973 -1.412 1959 2HZ LYS 108 HZ2 LYS 108 -26.479 -12.423 -0.428 1960 3HZ LYS 108 HZ3 LYS 108 -25.827 -10.861 -0.313 1961 H THR 109 H THR 109 -20.239 -10.977 -0.331 1962 HA THR 109 HA THR 109 -19.113 -11.806 -2.918 1963 HB THR 109 HB THR 109 -20.586 -9.290 -2.892 1964 HG1 THR 109 HG1 THR 109 -22.583 -10.955 -2.791 1965 1HG2 THR 109 1HG2 THR 109 -20.141 -11.591 -4.589 1966 2HG2 THR 109 2HG2 THR 109 -21.848 -11.149 -4.549 1967 3HG2 THR 109 3HG2 THR 109 -20.639 -9.956 -5.026 1968 H ILE 110 H ILE 110 -17.007 -11.242 -2.881 1969 HA ILE 110 HA ILE 110 -16.349 -8.561 -1.886 1970 HB ILE 110 HB ILE 110 -15.425 -10.530 -0.631 1971 1HG1 ILE 110 2HG1 ILE 110 -13.000 -9.161 -1.538 1972 2HG1 ILE 110 3HG1 ILE 110 -14.335 -8.078 -1.148 1973 1HG2 ILE 110 1HG2 ILE 110 -14.445 -11.241 -3.245 1974 2HG2 ILE 110 2HG2 ILE 110 -13.122 -11.121 -2.083 1975 3HG2 ILE 110 3HG2 ILE 110 -14.488 -12.192 -1.760 1976 1HD1 ILE 110 1HD1 ILE 110 -13.383 -10.244 0.701 1977 2HD1 ILE 110 2HD1 ILE 110 -12.760 -8.593 0.732 1978 3HD1 ILE 110 3HD1 ILE 110 -14.465 -8.898 1.066 1979 H TYR 111 H TYR 111 -15.590 -7.112 -3.272 1980 HA TYR 111 HA TYR 111 -14.784 -8.062 -5.941 1981 1HB TYR 111 HB2 TYR 111 -15.734 -5.262 -5.435 1982 2HB TYR 111 HB3 TYR 111 -15.818 -6.215 -6.911 1983 HD1 TYR 111 HD1 TYR 111 -17.368 -5.677 -3.598 1984 HD2 TYR 111 HD2 TYR 111 -17.718 -7.569 -7.393 1985 HE1 TYR 111 HE1 TYR 111 -19.716 -6.207 -3.108 1986 HE2 TYR 111 HE2 TYR 111 -20.070 -8.103 -6.912 1987 HH TYR 111 HH TYR 111 -21.745 -6.756 -4.209 1988 H ASN 112 H ASN 112 -12.999 -7.180 -6.941 1989 HA ASN 112 HA ASN 112 -11.314 -5.396 -5.296 1990 1HB ASN 112 2HB ASN 112 -10.692 -7.904 -6.555 1991 2HB ASN 112 3HB ASN 112 -9.744 -6.630 -7.317 1992 1HD2 ASN 112 1HD2 ASN 112 -8.078 -5.704 -6.200 1993 2HD2 ASN 112 2HD2 ASN 112 -7.588 -6.217 -4.622 1994 H SER 113 H SER 113 -10.436 -3.597 -6.312 1995 HA SER 113 HA SER 113 -11.997 -2.671 -8.500 1996 1HB SER 113 2HB SER 113 -10.787 -0.554 -8.166 1997 2HB SER 113 3HB SER 113 -11.344 -1.221 -6.631 1998 HG SER 113 HG SER 113 -8.794 -1.961 -7.465 1999 H GLU 114 H GLU 114 -11.564 -2.613 -10.594 2000 HA GLU 114 HA GLU 114 -8.943 -3.556 -11.514 2001 1HB GLU 114 2HB GLU 114 -11.665 -3.843 -12.459 2002 2HB GLU 114 3HB GLU 114 -10.609 -3.262 -13.740 2003 1HG GLU 114 2HG GLU 114 -9.900 -5.637 -12.055 2004 2HG GLU 114 3HG GLU 114 -10.907 -5.777 -13.493 2005 H GLY 115 H GLY 115 -10.059 -0.719 -10.730 2006 1HA GLY 115 1HA GLY 115 -8.712 0.636 -12.979 2007 2HA GLY 115 2HA GLY 115 -10.099 1.338 -12.155 2008 H GLY 116 H GLY 116 -9.839 2.341 -10.221 2009 1HA GLY 116 1HA GLY 116 -7.960 2.201 -8.315 2010 2HA GLY 116 2HA GLY 116 -7.128 3.119 -9.563 2011 H MET 117 H MET 117 -7.395 4.365 -7.232 2012 HA MET 117 HA MET 117 -9.793 5.779 -6.803 2013 1HB MET 117 2HB MET 117 -8.054 5.619 -5.098 2014 2HB MET 117 3HB MET 117 -6.951 6.544 -6.105 2015 1HG MET 117 2HG MET 117 -8.330 8.506 -5.895 2016 2HG MET 117 3HG MET 117 -9.549 7.595 -5.007 2017 1HE MET 117 1HE MET 117 -9.205 6.438 -2.909 2018 2HE MET 117 2HE MET 117 -8.237 7.070 -1.579 2019 3HE MET 117 3HE MET 117 -9.564 8.028 -2.235 2020 H ASP 118 H ASP 118 -7.013 6.388 -8.838 2021 HA ASP 118 HA ASP 118 -7.633 9.026 -9.609 2022 1HB ASP 118 2HB ASP 118 -6.338 8.235 -11.771 2023 2HB ASP 118 3HB ASP 118 -5.487 8.466 -10.249 2024 H LYS 119 H LYS 119 -8.769 5.873 -10.680 2025 HA LYS 119 HA LYS 119 -10.151 6.830 -12.982 2026 1HB LYS 119 2HB LYS 119 -9.672 4.302 -11.652 2027 2HB LYS 119 3HB LYS 119 -11.361 4.457 -12.115 2028 1HG LYS 119 2HG LYS 119 -10.032 3.349 -13.836 2029 2HG LYS 119 3HG LYS 119 -10.735 4.861 -14.413 2030 1HD LYS 119 2HD LYS 119 -8.170 5.401 -13.276 2031 2HD LYS 119 3HD LYS 119 -8.021 4.071 -14.430 2032 1HE LYS 119 2HE LYS 119 -8.794 6.905 -14.881 2033 2HE LYS 119 3HE LYS 119 -7.755 5.855 -15.840 2034 1HZ LYS 119 HZ1 LYS 119 -10.360 4.813 -15.909 2035 2HZ LYS 119 HZ2 LYS 119 -10.455 6.475 -16.248 2036 3HZ LYS 119 HZ3 LYS 119 -9.458 5.473 -17.184 2037 H TRP 120 H TRP 120 -10.924 6.358 -9.586 2038 HA TRP 120 HA TRP 120 -13.723 6.576 -9.752 2039 1HB TRP 120 HB2 TRP 120 -12.290 5.963 -7.704 2040 2HB TRP 120 HB3 TRP 120 -12.098 7.699 -7.470 2041 HD1 TRP 120 HD1 TRP 120 -14.185 9.053 -6.595 2042 HE1 TRP 120 HE1 TRP 120 -16.426 8.360 -5.540 2043 HE3 TRP 120 HE3 TRP 120 -14.090 4.069 -7.715 2044 HZ2 TRP 120 HZ2 TRP 120 -17.936 6.000 -5.204 2045 HZ3 TRP 120 HZ3 TRP 120 -15.967 2.661 -6.982 2046 HH2 TRP 120 HH2 TRP 120 -17.850 3.607 -5.750 2047 H LEU 121 H LEU 121 -11.237 9.083 -9.180 2048 HA LEU 121 HA LEU 121 -12.988 11.281 -9.243 2049 1HB LEU 121 2HB LEU 121 -10.039 10.938 -9.704 2050 2HB LEU 121 3HB LEU 121 -10.803 12.497 -9.930 2051 HG LEU 121 HG LEU 121 -11.084 11.026 -7.322 2052 1HD1 LEU 121 1HD1 LEU 121 -8.679 12.268 -8.447 2053 2HD1 LEU 121 2HD1 LEU 121 -9.124 12.833 -6.837 2054 3HD1 LEU 121 3HD1 LEU 121 -8.854 11.114 -7.126 2055 1HD2 LEU 121 1HD2 LEU 121 -12.211 13.324 -8.302 2056 2HD2 LEU 121 2HD2 LEU 121 -12.035 12.915 -6.595 2057 3HD2 LEU 121 3HD2 LEU 121 -10.830 13.934 -7.388 2058 H GLU 122 H GLU 122 -11.162 9.610 -11.760 2059 HA GLU 122 HA GLU 122 -11.587 11.478 -13.819 2060 1HB GLU 122 2HB GLU 122 -9.936 9.444 -13.588 2061 2HB GLU 122 3HB GLU 122 -11.219 8.577 -14.421 2062 1HG GLU 122 2HG GLU 122 -10.806 10.990 -15.820 2063 2HG GLU 122 3HG GLU 122 -9.220 10.293 -15.496 2064 H GLU 123 H GLU 123 -13.363 8.509 -12.983 2065 HA GLU 123 HA GLU 123 -15.068 8.657 -15.261 2066 1HB GLU 123 2HB GLU 123 -15.468 7.127 -12.685 2067 2HB GLU 123 3HB GLU 123 -16.354 6.866 -14.180 2068 1HG GLU 123 2HG GLU 123 -13.420 6.696 -14.383 2069 2HG GLU 123 3HG GLU 123 -14.199 5.443 -13.423 2070 H GLY 124 H GLY 124 -14.933 10.684 -12.728 2071 1HA GLY 124 1HA GLY 124 -16.340 12.423 -12.167 2072 2HA GLY 124 2HA GLY 124 -17.504 11.788 -13.321 2073 H LEU 125 H LEU 125 -16.263 9.730 -10.846 2074 HA LEU 125 HA LEU 125 -18.895 9.363 -9.753 2075 1HB LEU 125 2HB LEU 125 -16.234 8.242 -8.861 2076 2HB LEU 125 3HB LEU 125 -17.809 7.696 -8.314 2077 HG LEU 125 HG LEU 125 -16.817 7.510 -11.162 2078 1HD1 LEU 125 1HD1 LEU 125 -15.651 6.063 -9.448 2079 2HD1 LEU 125 2HD1 LEU 125 -17.202 5.251 -9.227 2080 3HD1 LEU 125 3HD1 LEU 125 -16.412 5.227 -10.804 2081 1HD2 LEU 125 1HD2 LEU 125 -19.425 7.359 -10.048 2082 2HD2 LEU 125 2HD2 LEU 125 -18.923 7.077 -11.714 2083 3HD2 LEU 125 3HD2 LEU 125 -18.954 5.740 -10.565 2084 HA PRO 126 HA PRO 126 -18.856 12.188 -6.418 2085 1HB PRO 126 2HB PRO 126 -19.757 10.737 -4.288 2086 2HB PRO 126 3HB PRO 126 -20.797 11.261 -5.618 2087 1HG PRO 126 2HG PRO 126 -19.452 8.609 -5.204 2088 2HG PRO 126 3HG PRO 126 -21.132 8.949 -5.676 2089 1HD PRO 126 2HD PRO 126 -19.310 8.265 -7.504 2090 2HD PRO 126 3HD PRO 126 -20.534 9.504 -7.859 2091 H SER 127 H SER 127 -17.238 13.058 -5.245 2092 HA SER 127 HA SER 127 -15.509 11.253 -3.712 2093 1HB SER 127 2HB SER 127 -13.752 13.150 -4.490 2094 2HB SER 127 3HB SER 127 -14.020 11.658 -5.395 2095 HG SER 127 HG SER 127 -14.548 12.941 -6.980 2096 H LEU 128 H LEU 128 -14.576 12.145 -1.858 2097 HA LEU 128 HA LEU 128 -15.879 14.568 -0.840 2098 1HB LEU 128 2HB LEU 128 -14.251 12.439 0.558 2099 2HB LEU 128 3HB LEU 128 -14.889 13.868 1.346 2100 HG LEU 128 HG LEU 128 -16.818 12.116 -0.078 2101 1HD1 LEU 128 1HD1 LEU 128 -15.001 11.009 1.728 2102 2HD1 LEU 128 2HD1 LEU 128 -16.488 11.251 2.647 2103 3HD1 LEU 128 3HD1 LEU 128 -16.516 10.303 1.161 2104 1HD2 LEU 128 1HD2 LEU 128 -16.799 13.887 2.341 2105 2HD2 LEU 128 2HD2 LEU 128 -17.803 13.988 0.894 2106 3HD2 LEU 128 3HD2 LEU 128 -18.087 12.711 2.078 2107 H ASP 129 H ASP 129 -14.794 16.323 -1.457 2108 HA ASP 129 HA ASP 129 -11.912 16.424 -0.917 2109 1HB ASP 129 2HB ASP 129 -11.351 17.136 -3.030 2110 2HB ASP 129 3HB ASP 129 -12.727 16.120 -3.441 2111 H ARG 130 H ARG 130 -11.105 18.645 -0.645 2112 HA ARG 130 HA ARG 130 -13.020 20.235 0.797 2113 1HB ARG 130 2HB ARG 130 -10.227 19.861 0.860 2114 2HB ARG 130 3HB ARG 130 -10.480 21.543 0.414 2115 1HG ARG 130 2HG ARG 130 -12.128 21.563 2.417 2116 2HG ARG 130 3HG ARG 130 -11.253 20.115 2.920 2117 1HD ARG 130 2HD ARG 130 -10.102 21.817 3.994 2118 2HD ARG 130 3HD ARG 130 -9.137 21.541 2.544 2119 HE ARG 130 HE ARG 130 -11.095 23.739 2.795 2120 1HH1 ARG 130 1HH1 ARG 130 -7.958 22.517 1.808 2121 2HH1 ARG 130 2HH1 ARG 130 -7.484 24.005 1.039 2122 1HH2 ARG 130 1HH2 ARG 130 -10.452 25.697 1.823 2123 2HH2 ARG 130 2HH2 ARG 130 -8.896 25.816 1.056 2124 H SER 131 H SER 131 -14.299 20.522 -1.217 2125 HA SER 131 HA SER 131 -13.366 22.019 -3.388 2126 1HB SER 131 2HB SER 131 -16.234 22.270 -2.815 2127 2HB SER 131 3HB SER 131 -15.420 21.594 -4.228 2128 HG SER 131 HG SER 131 -15.103 19.663 -3.079 2129 H HIS 132 H HIS 132 -13.952 24.167 -4.048 2130 HA HIS 132 HA HIS 132 -13.550 26.066 -1.935 2131 1HB HIS 132 2HB HIS 132 -13.016 25.965 -4.668 2132 2HB HIS 132 3HB HIS 132 -14.231 27.227 -4.510 2133 HD1 HIS 132 HD1 HIS 132 -10.940 26.293 -2.814 2134 HD2 HIS 132 HD2 HIS 132 -13.135 29.634 -3.980 2135 HE1 HIS 132 HE1 HIS 132 -9.501 28.283 -2.261 2136 HE2 HIS 132 HE2 HIS 132 -10.780 30.275 -3.123 2137 H HIS 133 H HIS 133 -16.149 24.575 -2.054 2138 HA HIS 133 HA HIS 133 -18.153 26.519 -2.740 2139 1HB HIS 133 2HB HIS 133 -18.314 23.904 -2.679 2140 2HB HIS 133 3HB HIS 133 -18.696 24.155 -0.980 2141 HD1 HIS 133 HD1 HIS 133 -20.972 25.280 -0.419 2142 HD2 HIS 133 HD2 HIS 133 -20.305 24.674 -4.484 2143 HE1 HIS 133 HE1 HIS 133 -23.194 25.637 -1.535 2144 HE2 HIS 133 HE2 HIS 133 -22.708 25.504 -4.001 2145 H HIS 134 H HIS 134 -16.188 25.906 -0.043 2146 HA HIS 134 HA HIS 134 -15.991 26.835 2.012 2147 1HB HIS 134 2HB HIS 134 -17.468 28.836 0.509 2148 2HB HIS 134 3HB HIS 134 -17.906 28.855 2.211 2149 HD1 HIS 134 HD1 HIS 134 -14.865 27.989 3.060 2150 HD2 HIS 134 HD2 HIS 134 -16.072 31.257 0.777 2151 HE1 HIS 134 HE1 HIS 134 -13.016 29.685 3.262 2152 HE2 HIS 134 HE2 HIS 134 -13.862 31.723 2.041 2153 H HIS 135 H HIS 135 -16.961 24.728 2.513 2154 HA HIS 135 HA HIS 135 -19.577 25.009 3.840 2155 1HB HIS 135 2HB HIS 135 -19.596 23.438 1.922 2156 2HB HIS 135 3HB HIS 135 -18.295 22.522 2.669 2157 HD1 HIS 135 HD1 HIS 135 -21.815 23.616 3.664 2158 HD2 HIS 135 HD2 HIS 135 -19.242 20.364 3.972 2159 HE1 HIS 135 HE1 HIS 135 -23.137 21.813 4.815 2160 HE2 HIS 135 HE2 HIS 135 -21.631 19.793 4.782 2161 H HIS 136 H HIS 136 -19.169 25.297 5.963 2162 HA HIS 136 HA HIS 136 -16.759 24.450 7.170 2163 1HB HIS 136 2HB HIS 136 -17.592 25.345 9.227 2164 2HB HIS 136 3HB HIS 136 -18.095 26.419 7.933 2165 HD1 HIS 136 HD1 HIS 136 -20.618 26.654 7.499 2166 HD2 HIS 136 HD2 HIS 136 -19.677 24.000 10.563 2167 HE1 HIS 136 HE1 HIS 136 -22.777 26.230 8.717 2168 HE2 HIS 136 HE2 HIS 136 -22.166 24.716 10.635 2169 H HIS 137 H HIS 137 -16.215 22.722 8.305 2170 HA HIS 137 HA HIS 137 -18.145 20.520 8.433 2171 1HB HIS 137 2HB HIS 137 -15.879 20.315 7.238 2172 2HB HIS 137 3HB HIS 137 -15.158 20.330 8.841 2173 HD1 HIS 137 HD1 HIS 137 -17.348 18.462 10.186 2174 HD2 HIS 137 HD2 HIS 137 -15.301 17.706 6.645 2175 HE1 HIS 137 HE1 HIS 137 -17.376 15.957 9.902 2176 HE2 HIS 137 HE2 HIS 137 -15.962 15.517 7.859
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