NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
515900 | 2akl | 6766 | cing | 1-original | 11 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 -7.293 23.292 24.432 2 HA MET 1 HA MET 1 -6.612 25.423 23.686 3 1HB MET 1 1HB MET 1 -5.654 27.060 25.294 4 2HB MET 1 2HB MET 1 -7.383 26.822 25.481 5 1HG MET 1 1HG MET 1 -6.560 26.893 27.654 6 2HG MET 1 2HG MET 1 -6.797 25.177 27.331 7 1HE MET 1 1HE MET 1 -5.101 26.077 29.785 8 2HE MET 1 2HE MET 1 -3.680 25.042 29.639 9 3HE MET 1 3HE MET 1 -5.284 24.390 29.305 10 H VAL 2 H VAL 2 -5.505 23.069 25.750 11 HA VAL 2 HA VAL 2 -2.716 23.509 24.968 12 HB VAL 2 HB VAL 2 -3.229 23.265 27.415 13 1HG1 VAL 2 1HG1 VAL 2 -5.006 21.616 27.280 14 2HG1 VAL 2 2HG1 VAL 2 -3.694 21.034 28.304 15 3HG1 VAL 2 3HG1 VAL 2 -3.870 20.418 26.661 16 1HG2 VAL 2 1HG2 VAL 2 -1.434 21.170 26.210 17 2HG2 VAL 2 2HG2 VAL 2 -1.378 21.733 27.880 18 3HG2 VAL 2 3HG2 VAL 2 -1.002 22.843 26.563 19 H SER 3 H SER 3 -1.509 21.733 24.112 20 HA SER 3 HA SER 3 -3.125 20.032 22.437 21 1HB SER 3 1HB SER 3 -0.792 19.287 21.641 22 2HB SER 3 2HB SER 3 -1.281 20.948 21.315 23 HG SER 3 HG SER 3 0.703 21.165 22.175 24 H THR 4 H THR 4 -3.508 17.942 22.690 25 HA THR 4 HA THR 4 -2.417 16.554 25.030 26 HB THR 4 HB THR 4 -4.865 16.486 24.604 27 HG1 THR 4 HG1 THR 4 -3.305 14.134 24.646 28 1HG2 THR 4 1HG2 THR 4 -4.114 14.913 22.140 29 2HG2 THR 4 2HG2 THR 4 -4.776 16.548 22.154 30 3HG2 THR 4 3HG2 THR 4 -5.750 15.194 22.735 31 H LEU 5 H LEU 5 -1.091 17.256 22.441 32 HA LEU 5 HA LEU 5 -0.563 14.732 21.126 33 1HB LEU 5 1HB LEU 5 0.719 17.417 20.617 34 2HB LEU 5 2HB LEU 5 0.568 16.068 19.504 35 HG LEU 5 HG LEU 5 -1.840 17.525 20.559 36 1HD1 LEU 5 1HD1 LEU 5 -0.300 18.150 18.048 37 2HD1 LEU 5 2HD1 LEU 5 -0.391 19.166 19.484 38 3HD1 LEU 5 3HD1 LEU 5 -1.840 18.859 18.527 39 1HD2 LEU 5 1HD2 LEU 5 -2.247 15.344 19.568 40 2HD2 LEU 5 2HD2 LEU 5 -1.376 15.825 18.113 41 3HD2 LEU 5 3HD2 LEU 5 -2.889 16.624 18.539 42 HA PRO 6 HA PRO 6 3.256 13.833 23.222 43 1HB PRO 6 1HB PRO 6 4.920 13.159 21.168 44 2HB PRO 6 2HB PRO 6 3.638 12.093 21.757 45 1HG PRO 6 1HG PRO 6 3.609 13.973 19.418 46 2HG PRO 6 2HG PRO 6 3.061 12.286 19.496 47 1HD PRO 6 1HD PRO 6 1.318 14.306 19.643 48 2HD PRO 6 2HD PRO 6 1.107 12.851 20.639 49 HA PRO 7 HA PRO 7 5.880 17.441 23.026 50 1HB PRO 7 1HB PRO 7 8.288 16.319 23.742 51 2HB PRO 7 2HB PRO 7 7.042 16.808 24.890 52 1HG PRO 7 1HG PRO 7 7.702 14.099 23.833 53 2HG PRO 7 2HG PRO 7 7.164 14.570 25.454 54 1HD PRO 7 1HD PRO 7 5.519 13.418 23.632 55 2HD PRO 7 2HD PRO 7 4.946 14.570 24.853 56 H CYS 8 H CYS 8 8.364 17.797 22.293 57 HA CYS 8 HA CYS 8 8.479 16.870 19.530 58 1HB CYS 8 1HB CYS 8 8.660 19.242 19.686 59 2HB CYS 8 2HB CYS 8 9.803 19.139 21.019 60 HA PRO 9 HA PRO 9 11.539 13.909 20.911 61 1HB PRO 9 1HB PRO 9 12.269 13.016 18.451 62 2HB PRO 9 2HB PRO 9 10.759 12.533 19.235 63 1HG PRO 9 1HG PRO 9 11.221 14.645 17.159 64 2HG PRO 9 2HG PRO 9 9.945 13.417 17.237 65 1HD PRO 9 1HD PRO 9 9.508 15.959 17.990 66 2HD PRO 9 2HD PRO 9 8.730 14.595 18.816 67 H GLN 10 H GLN 10 12.036 16.838 19.826 68 HA GLN 10 HA GLN 10 14.929 16.512 19.524 69 1HB GLN 10 1HB GLN 10 13.256 18.689 18.270 70 2HB GLN 10 2HB GLN 10 14.979 18.413 18.037 71 1HG GLN 10 1HG GLN 10 14.547 16.340 16.911 72 2HG GLN 10 2HG GLN 10 12.824 16.474 17.257 73 1HE2 GLN 10 1HE2 GLN 10 11.596 17.988 16.144 74 2HE2 GLN 10 2HE2 GLN 10 12.134 18.678 14.657 75 H CYS 11 H CYS 11 12.239 18.455 20.957 76 HA CYS 11 HA CYS 11 14.254 19.936 22.463 77 1HB CYS 11 1HB CYS 11 11.356 20.627 21.900 78 2HB CYS 11 2HB CYS 11 12.506 21.629 22.771 79 H ASN 12 H ASN 12 11.121 18.262 22.615 80 HA ASN 12 HA ASN 12 9.985 17.212 24.269 81 1HB ASN 12 1HB ASN 12 12.311 16.302 24.772 82 2HB ASN 12 2HB ASN 12 12.410 17.516 26.040 83 1HD2 ASN 12 1HD2 ASN 12 11.335 17.203 27.940 84 2HD2 ASN 12 2HD2 ASN 12 10.453 15.762 28.313 85 H SER 13 H SER 13 10.596 20.216 24.100 86 HA SER 13 HA SER 13 10.100 21.394 26.606 87 1HB SER 13 1HB SER 13 9.437 23.382 25.192 88 2HB SER 13 2HB SER 13 11.026 22.706 24.862 89 HG SER 13 HG SER 13 9.970 23.088 22.928 90 H GLU 14 H GLU 14 8.033 20.238 24.096 91 HA GLU 14 HA GLU 14 5.891 19.388 24.219 92 1HB GLU 14 1HB GLU 14 5.601 20.835 26.853 93 2HB GLU 14 2HB GLU 14 4.444 19.713 26.149 94 1HG GLU 14 1HG GLU 14 6.031 17.922 26.335 95 2HG GLU 14 2HG GLU 14 7.236 19.041 26.966 96 H TYR 15 H TYR 15 6.971 22.369 23.850 97 HA TYR 15 HA TYR 15 4.454 23.693 23.678 98 1HB TYR 15 1HB TYR 15 7.228 24.519 22.806 99 2HB TYR 15 2HB TYR 15 5.810 25.543 22.599 100 HD1 TYR 15 HD1 TYR 15 4.929 26.797 24.417 101 HD2 TYR 15 HD2 TYR 15 7.978 23.916 25.113 102 HE1 TYR 15 HE1 TYR 15 5.224 27.668 26.697 103 HE2 TYR 15 HE2 TYR 15 8.281 24.776 27.393 104 HH TYR 15 HH TYR 15 7.880 26.761 28.681 105 H THR 16 H THR 16 4.181 21.492 22.318 106 HA THR 16 HA THR 16 4.618 22.033 19.469 107 HB THR 16 HB THR 16 3.615 19.439 20.612 108 HG1 THR 16 HG1 THR 16 5.413 19.328 21.701 109 1HG2 THR 16 1HG2 THR 16 3.642 19.733 18.173 110 2HG2 THR 16 2HG2 THR 16 4.775 18.484 18.688 111 3HG2 THR 16 3HG2 THR 16 5.370 20.084 18.242 112 H TYR 17 H TYR 17 2.798 21.818 18.029 113 HA TYR 17 HA TYR 17 0.168 21.624 19.260 114 1HB TYR 17 1HB TYR 17 -0.660 23.668 18.306 115 2HB TYR 17 2HB TYR 17 0.797 24.063 19.207 116 HD1 TYR 17 HD1 TYR 17 -0.816 24.051 15.977 117 HD2 TYR 17 HD2 TYR 17 2.918 24.558 17.955 118 HE1 TYR 17 HE1 TYR 17 0.090 25.139 13.972 119 HE2 TYR 17 HE2 TYR 17 3.836 25.647 15.952 120 HH TYR 17 HH TYR 17 1.832 26.581 13.285 121 H GLU 18 H GLU 18 -1.555 21.575 17.433 122 HA GLU 18 HA GLU 18 -0.392 19.987 15.258 123 1HB GLU 18 1HB GLU 18 -2.748 19.170 14.937 124 2HB GLU 18 2HB GLU 18 -2.021 18.736 16.477 125 1HG GLU 18 1HG GLU 18 -3.223 20.672 17.498 126 2HG GLU 18 2HG GLU 18 -4.056 20.888 15.960 127 H ASP 19 H ASP 19 -0.112 21.022 13.382 128 HA ASP 19 HA ASP 19 -2.017 23.123 12.653 129 1HB ASP 19 1HB ASP 19 0.353 23.839 12.785 130 2HB ASP 19 2HB ASP 19 0.777 22.613 11.599 131 H GLY 20 H GLY 20 -3.467 21.305 12.098 132 1HA GLY 20 1HA GLY 20 -4.558 20.591 10.118 133 2HA GLY 20 2HA GLY 20 -3.004 20.570 9.301 134 H ALA 21 H ALA 21 -1.812 18.742 9.275 135 HA ALA 21 HA ALA 21 -3.208 16.356 10.316 136 1HB ALA 21 1HB ALA 21 -1.620 16.595 7.771 137 2HB ALA 21 2HB ALA 21 -3.380 16.609 7.890 138 3HB ALA 21 3HB ALA 21 -2.476 15.162 8.339 139 H LEU 22 H LEU 22 -0.825 17.959 11.378 140 HA LEU 22 HA LEU 22 0.715 15.684 12.177 141 1HB LEU 22 1HB LEU 22 2.802 16.209 11.262 142 2HB LEU 22 2HB LEU 22 1.683 16.374 9.925 143 HG LEU 22 HG LEU 22 2.766 18.688 11.536 144 1HD1 LEU 22 1HD1 LEU 22 3.591 17.619 8.848 145 2HD1 LEU 22 2HD1 LEU 22 4.549 17.596 10.330 146 3HD1 LEU 22 3HD1 LEU 22 4.148 19.132 9.560 147 1HD2 LEU 22 1HD2 LEU 22 1.225 18.619 8.941 148 2HD2 LEU 22 2HD2 LEU 22 1.894 20.058 9.710 149 3HD2 LEU 22 3HD2 LEU 22 0.604 19.155 10.503 150 H LEU 23 H LEU 23 2.802 16.705 13.372 151 HA LEU 23 HA LEU 23 1.779 18.857 15.091 152 1HB LEU 23 1HB LEU 23 4.136 17.168 15.819 153 2HB LEU 23 2HB LEU 23 2.980 17.975 16.861 154 HG LEU 23 HG LEU 23 2.414 15.486 15.249 155 1HD1 LEU 23 1HD1 LEU 23 2.422 14.357 17.416 156 2HD1 LEU 23 2HD1 LEU 23 2.917 15.860 18.194 157 3HD1 LEU 23 3HD1 LEU 23 3.993 15.066 17.044 158 1HD2 LEU 23 1HD2 LEU 23 0.447 16.937 15.653 159 2HD2 LEU 23 2HD2 LEU 23 0.763 16.820 17.383 160 3HD2 LEU 23 3HD2 LEU 23 0.343 15.376 16.466 161 H VAL 24 H VAL 24 2.920 20.760 15.201 162 HA VAL 24 HA VAL 24 5.469 20.887 13.743 163 HB VAL 24 HB VAL 24 3.418 23.084 14.084 164 1HG1 VAL 24 1HG1 VAL 24 5.682 23.927 13.920 165 2HG1 VAL 24 2HG1 VAL 24 4.776 24.303 12.453 166 3HG1 VAL 24 3HG1 VAL 24 5.948 22.984 12.453 167 1HG2 VAL 24 1HG2 VAL 24 4.053 21.411 11.659 168 2HG2 VAL 24 2HG2 VAL 24 2.976 22.808 11.687 169 3HG2 VAL 24 3HG2 VAL 24 2.568 21.361 12.610 170 H CYS 25 H CYS 25 7.193 21.534 14.979 171 HA CYS 25 HA CYS 25 6.620 22.636 17.625 172 1HB CYS 25 1HB CYS 25 8.120 20.694 17.504 173 2HB CYS 25 2HB CYS 25 9.177 21.575 16.408 174 HA PRO 26 HA PRO 26 7.581 26.540 15.606 175 1HB PRO 26 1HB PRO 26 6.782 28.113 17.664 176 2HB PRO 26 2HB PRO 26 5.643 27.366 16.538 177 1HG PRO 26 1HG PRO 26 6.423 26.508 19.292 178 2HG PRO 26 2HG PRO 26 4.821 26.520 18.533 179 1HD PRO 26 1HD PRO 26 6.345 24.273 18.776 180 2HD PRO 26 2HD PRO 26 5.178 24.521 17.461 181 H GLU 27 H GLU 27 8.920 25.002 18.272 182 HA GLU 27 HA GLU 27 10.683 27.111 19.088 183 1HB GLU 27 1HB GLU 27 9.889 25.320 20.637 184 2HB GLU 27 2HB GLU 27 10.872 24.171 19.738 185 1HG GLU 27 1HG GLU 27 12.883 25.385 20.328 186 2HG GLU 27 2HG GLU 27 11.921 26.602 21.167 187 H CYS 28 H CYS 28 11.462 23.816 17.709 188 HA CYS 28 HA CYS 28 13.967 24.961 16.859 189 1HB CYS 28 1HB CYS 28 14.579 22.636 16.293 190 2HB CYS 28 2HB CYS 28 14.048 22.805 17.960 191 H ALA 29 H ALA 29 11.067 25.198 15.440 192 HA ALA 29 HA ALA 29 10.369 25.543 13.355 193 1HB ALA 29 1HB ALA 29 12.275 27.069 13.327 194 2HB ALA 29 2HB ALA 29 11.981 26.367 11.736 195 3HB ALA 29 3HB ALA 29 13.308 25.769 12.733 196 H HIS 30 H HIS 30 10.342 22.900 14.001 197 HA HIS 30 HA HIS 30 10.730 21.733 11.357 198 1HB HIS 30 1HB HIS 30 12.678 21.202 13.053 199 2HB HIS 30 2HB HIS 30 11.513 20.060 13.711 200 HD1 HIS 30 HD1 HIS 30 14.284 19.601 11.990 201 HD2 HIS 30 HD2 HIS 30 10.352 18.923 10.825 202 HE1 HIS 30 HE1 HIS 30 14.411 17.941 10.100 203 HE2 HIS 30 HE2 HIS 30 12.032 17.701 9.288 204 H GLU 31 H GLU 31 8.946 20.779 10.745 205 HA GLU 31 HA GLU 31 6.918 20.025 12.704 206 1HB GLU 31 1HB GLU 31 6.403 19.517 9.842 207 2HB GLU 31 2HB GLU 31 5.382 20.287 11.046 208 1HG GLU 31 1HG GLU 31 5.791 21.992 9.554 209 2HG GLU 31 2HG GLU 31 6.995 22.284 10.807 210 H TRP 32 H TRP 32 6.036 17.905 12.793 211 HA TRP 32 HA TRP 32 7.301 15.787 11.276 212 1HB TRP 32 1HB TRP 32 8.435 14.708 12.976 213 2HB TRP 32 2HB TRP 32 8.692 16.385 13.437 214 HD1 TRP 32 HD1 TRP 32 6.362 17.187 15.141 215 HE1 TRP 32 HE1 TRP 32 5.692 15.965 17.313 216 HE3 TRP 32 HE3 TRP 32 8.616 12.690 14.263 217 HZ2 TRP 32 HZ2 TRP 32 6.077 13.435 18.488 218 HZ3 TRP 32 HZ3 TRP 32 8.419 10.923 15.962 219 HH2 TRP 32 HH2 TRP 32 7.175 11.286 18.030 220 H SER 33 H SER 33 6.251 13.700 11.722 221 HA SER 33 HA SER 33 3.575 14.038 12.894 222 1HB SER 33 1HB SER 33 3.661 13.739 10.362 223 2HB SER 33 2HB SER 33 4.266 12.111 10.667 224 HG SER 33 HG SER 33 1.789 12.797 10.521 225 HA PRO 34 HA PRO 34 5.079 11.375 15.979 226 1HB PRO 34 1HB PRO 34 2.715 10.069 16.645 227 2HB PRO 34 2HB PRO 34 3.237 11.633 17.275 228 1HG PRO 34 1HG PRO 34 1.331 11.017 15.066 229 2HG PRO 34 2HG PRO 34 1.258 12.297 16.291 230 1HD PRO 34 1HD PRO 34 2.000 12.821 13.768 231 2HD PRO 34 2HD PRO 34 2.753 13.644 15.144 232 H ASN 35 H ASN 35 2.637 9.641 14.034 233 HA ASN 35 HA ASN 35 4.261 7.236 14.254 234 1HB ASN 35 1HB ASN 35 1.656 7.489 14.618 235 2HB ASN 35 2HB ASN 35 1.624 7.280 12.866 236 1HD2 ASN 35 1HD2 ASN 35 2.533 5.879 15.895 237 2HD2 ASN 35 2HD2 ASN 35 2.656 4.253 15.325 238 H GLU 36 H GLU 36 3.036 9.500 11.867 239 HA GLU 36 HA GLU 36 3.639 7.910 9.598 240 1HB GLU 36 1HB GLU 36 2.006 9.806 9.648 241 2HB GLU 36 2HB GLU 36 3.365 10.916 9.703 242 1HG GLU 36 1HG GLU 36 4.120 10.141 7.532 243 2HG GLU 36 2HG GLU 36 2.809 8.963 7.481 244 H ALA 37 H ALA 37 5.640 9.753 11.681 245 HA ALA 37 HA ALA 37 7.757 10.373 9.921 246 1HB ALA 37 1HB ALA 37 7.639 11.308 12.174 247 2HB ALA 37 2HB ALA 37 9.174 10.477 11.912 248 3HB ALA 37 3HB ALA 37 7.904 9.703 12.860 249 H ALA 38 H ALA 38 6.817 7.430 11.563 250 HA ALA 38 HA ALA 38 9.154 5.943 10.819 251 1HB ALA 38 1HB ALA 38 7.783 5.258 12.728 252 2HB ALA 38 2HB ALA 38 7.862 3.977 11.517 253 3HB ALA 38 3HB ALA 38 6.415 4.975 11.652 254 H THR 39 H THR 39 5.890 6.367 9.578 255 HA THR 39 HA THR 39 5.035 6.285 7.484 256 HB THR 39 HB THR 39 7.776 5.647 6.410 257 HG1 THR 39 HG1 THR 39 6.837 7.953 7.630 258 1HG2 THR 39 1HG2 THR 39 5.938 5.490 4.812 259 2HG2 THR 39 2HG2 THR 39 6.967 6.873 4.441 260 3HG2 THR 39 3HG2 THR 39 5.413 7.119 5.240 261 H ALA 40 H ALA 40 4.266 4.789 5.991 262 HA ALA 40 HA ALA 40 5.217 2.050 6.076 263 1HB ALA 40 1HB ALA 40 3.031 1.131 6.671 264 2HB ALA 40 2HB ALA 40 2.397 2.761 6.893 265 3HB ALA 40 3HB ALA 40 3.656 2.152 7.966 266 H SER 41 H SER 41 4.065 0.721 4.422 267 HA SER 41 HA SER 41 3.651 2.307 2.053 268 1HB SER 41 1HB SER 41 3.442 -0.684 2.420 269 2HB SER 41 2HB SER 41 3.542 0.177 0.885 270 HG SER 41 HG SER 41 5.606 1.052 1.912 271 H ASP 42 H ASP 42 1.757 3.399 2.247 272 HA ASP 42 HA ASP 42 -0.698 1.848 2.644 273 1HB ASP 42 1HB ASP 42 -0.202 4.045 3.880 274 2HB ASP 42 2HB ASP 42 -0.507 4.840 2.340 275 H ASP 43 H ASP 43 -2.572 2.815 1.131 276 HA ASP 43 HA ASP 43 -3.442 2.572 -0.966 277 1HB ASP 43 1HB ASP 43 -0.878 4.006 -1.703 278 2HB ASP 43 2HB ASP 43 -2.140 3.629 -2.866 279 H GLY 44 H GLY 44 -2.094 0.377 0.118 280 1HA GLY 44 1HA GLY 44 -0.483 -0.681 -2.101 281 2HA GLY 44 2HA GLY 44 -0.418 -1.246 -0.441 282 H LYS 45 H LYS 45 -3.506 -0.694 -1.984 283 HA LYS 45 HA LYS 45 -3.929 -3.595 -1.940 284 1HB LYS 45 1HB LYS 45 -6.265 -3.199 -1.946 285 2HB LYS 45 2HB LYS 45 -5.578 -2.059 -0.803 286 1HG LYS 45 1HG LYS 45 -5.787 -0.266 -2.409 287 2HG LYS 45 2HG LYS 45 -6.370 -1.401 -3.632 288 1HD LYS 45 1HD LYS 45 -8.283 -1.937 -2.128 289 2HD LYS 45 2HD LYS 45 -7.732 -0.661 -1.041 290 1HE LYS 45 1HE LYS 45 -8.026 0.989 -2.806 291 2HE LYS 45 2HE LYS 45 -8.521 -0.280 -3.927 292 1HZ LYS 45 1HZ LYS 45 -10.433 0.877 -3.027 293 2HZ LYS 45 2HZ LYS 45 -9.958 0.501 -1.443 294 3HZ LYS 45 3HZ LYS 45 -10.433 -0.736 -2.504 295 H VAL 46 H VAL 46 -2.769 -1.444 -3.989 296 HA VAL 46 HA VAL 46 -3.983 -2.042 -6.469 297 HB VAL 46 HB VAL 46 -1.029 -1.534 -6.106 298 1HG1 VAL 46 1HG1 VAL 46 -1.207 -0.450 -8.258 299 2HG1 VAL 46 2HG1 VAL 46 -2.950 -0.713 -8.270 300 3HG1 VAL 46 3HG1 VAL 46 -1.851 -2.090 -8.355 301 1HG2 VAL 46 1HG2 VAL 46 -1.505 0.871 -6.171 302 2HG2 VAL 46 2HG2 VAL 46 -2.186 0.108 -4.734 303 3HG2 VAL 46 3HG2 VAL 46 -3.232 0.527 -6.091 304 H ILE 47 H ILE 47 -3.464 -3.632 -8.015 305 HA ILE 47 HA ILE 47 -3.094 -6.163 -6.756 306 HB ILE 47 HB ILE 47 -3.032 -5.942 -9.726 307 1HG1 ILE 47 1HG1 ILE 47 -4.656 -4.227 -9.170 308 2HG1 ILE 47 2HG1 ILE 47 -5.494 -5.642 -9.789 309 1HG2 ILE 47 1HG2 ILE 47 -4.608 -7.864 -9.525 310 2HG2 ILE 47 2HG2 ILE 47 -4.479 -7.737 -7.773 311 3HG2 ILE 47 3HG2 ILE 47 -3.057 -8.146 -8.731 312 1HD1 ILE 47 1HD1 ILE 47 -6.101 -6.287 -7.529 313 2HD1 ILE 47 2HD1 ILE 47 -6.658 -4.654 -7.899 314 3HD1 ILE 47 3HD1 ILE 47 -5.231 -4.893 -6.889 315 H LYS 48 H LYS 48 -1.234 -7.129 -6.331 316 HA LYS 48 HA LYS 48 1.149 -6.375 -7.880 317 1HB LYS 48 1HB LYS 48 0.647 -6.889 -5.063 318 2HB LYS 48 2HB LYS 48 2.010 -7.815 -5.674 319 1HG LYS 48 1HG LYS 48 3.297 -5.985 -5.978 320 2HG LYS 48 2HG LYS 48 1.927 -4.960 -6.414 321 1HD LYS 48 1HD LYS 48 2.436 -5.947 -3.615 322 2HD LYS 48 2HD LYS 48 3.036 -4.401 -4.225 323 1HE LYS 48 1HE LYS 48 0.854 -3.571 -4.556 324 2HE LYS 48 2HE LYS 48 0.135 -5.170 -4.355 325 1HZ LYS 48 1HZ LYS 48 1.439 -3.543 -2.236 326 2HZ LYS 48 2HZ LYS 48 0.869 -5.129 -2.031 327 3HZ LYS 48 3HZ LYS 48 -0.217 -3.880 -2.383 328 H ASP 49 H ASP 49 2.573 -7.928 -8.626 329 HA ASP 49 HA ASP 49 1.257 -10.405 -9.398 330 1HB ASP 49 1HB ASP 49 3.914 -9.268 -10.271 331 2HB ASP 49 2HB ASP 49 3.074 -10.608 -11.024 332 H SER 50 H SER 50 2.815 -12.321 -9.626 333 HA SER 50 HA SER 50 3.844 -12.981 -7.035 334 1HB SER 50 1HB SER 50 2.812 -14.584 -8.757 335 2HB SER 50 2HB SER 50 4.374 -14.540 -9.570 336 HG SER 50 HG SER 50 3.752 -16.188 -7.740 337 H VAL 51 H VAL 51 5.017 -11.178 -9.407 338 HA VAL 51 HA VAL 51 7.836 -11.908 -9.268 339 HB VAL 51 HB VAL 51 6.730 -9.442 -10.573 340 1HG1 VAL 51 1HG1 VAL 51 9.084 -11.211 -11.185 341 2HG1 VAL 51 2HG1 VAL 51 9.131 -9.609 -10.449 342 3HG1 VAL 51 3HG1 VAL 51 8.595 -9.797 -12.121 343 1HG2 VAL 51 1HG2 VAL 51 5.345 -11.312 -11.256 344 2HG2 VAL 51 2HG2 VAL 51 6.786 -12.213 -11.736 345 3HG2 VAL 51 3HG2 VAL 51 6.344 -10.731 -12.588 346 H GLY 52 H GLY 52 5.647 -10.020 -7.626 347 1HA GLY 52 1HA GLY 52 6.025 -8.811 -5.654 348 2HA GLY 52 2HA GLY 52 7.738 -8.754 -6.050 349 H ASN 53 H ASN 53 5.926 -7.952 -8.734 350 HA ASN 53 HA ASN 53 6.344 -5.121 -8.162 351 1HB ASN 53 1HB ASN 53 6.031 -4.940 -10.752 352 2HB ASN 53 2HB ASN 53 7.571 -5.410 -10.063 353 1HD2 ASN 53 1HD2 ASN 53 4.648 -7.415 -10.588 354 2HD2 ASN 53 2HD2 ASN 53 5.439 -8.514 -11.671 355 H VAL 54 H VAL 54 4.903 -3.676 -9.344 356 HA VAL 54 HA VAL 54 2.129 -4.451 -8.644 357 HB VAL 54 HB VAL 54 3.121 -1.611 -8.691 358 1HG1 VAL 54 1HG1 VAL 54 0.722 -1.907 -8.716 359 2HG1 VAL 54 2HG1 VAL 54 1.242 -1.238 -7.169 360 3HG1 VAL 54 3HG1 VAL 54 0.818 -2.945 -7.294 361 1HG2 VAL 54 1HG2 VAL 54 3.149 -3.481 -6.329 362 2HG2 VAL 54 2HG2 VAL 54 3.457 -1.745 -6.268 363 3HG2 VAL 54 3HG2 VAL 54 4.562 -2.808 -7.141 364 H LEU 55 H LEU 55 0.417 -3.955 -10.102 365 HA LEU 55 HA LEU 55 1.352 -3.404 -12.790 366 1HB LEU 55 1HB LEU 55 -1.276 -4.447 -11.721 367 2HB LEU 55 2HB LEU 55 -0.866 -4.290 -13.420 368 HG LEU 55 HG LEU 55 0.771 -5.969 -11.578 369 1HD1 LEU 55 1HD1 LEU 55 -1.563 -6.739 -11.450 370 2HD1 LEU 55 2HD1 LEU 55 -0.453 -7.913 -12.164 371 3HD1 LEU 55 3HD1 LEU 55 -1.535 -6.970 -13.201 372 1HD2 LEU 55 1HD2 LEU 55 0.371 -5.878 -14.541 373 2HD2 LEU 55 2HD2 LEU 55 1.296 -7.126 -13.702 374 3HD2 LEU 55 3HD2 LEU 55 1.823 -5.442 -13.641 375 H GLN 56 H GLN 56 -0.319 -2.256 -14.152 376 HA GLN 56 HA GLN 56 -1.524 0.008 -12.710 377 1HB GLN 56 1HB GLN 56 0.582 0.610 -13.946 378 2HB GLN 56 2HB GLN 56 -0.202 0.100 -15.432 379 1HG GLN 56 1HG GLN 56 -1.955 1.825 -15.000 380 2HG GLN 56 2HG GLN 56 -0.964 2.402 -13.659 381 1HE2 GLN 56 1HE2 GLN 56 0.269 1.146 -16.676 382 2HE2 GLN 56 2HE2 GLN 56 0.963 2.632 -17.233 383 H ASP 57 H ASP 57 -3.540 0.734 -13.590 384 HA ASP 57 HA ASP 57 -5.069 -1.242 -14.939 385 1HB ASP 57 1HB ASP 57 -5.994 0.426 -13.321 386 2HB ASP 57 2HB ASP 57 -5.706 1.688 -14.514 387 H GLY 58 H GLY 58 -4.268 -1.718 -16.908 388 1HA GLY 58 1HA GLY 58 -4.738 -0.974 -19.267 389 2HA GLY 58 2HA GLY 58 -3.889 0.499 -18.814 390 H ASP 59 H ASP 59 -2.256 -1.576 -17.087 391 HA ASP 59 HA ASP 59 -0.028 -1.637 -18.866 392 1HB ASP 59 1HB ASP 59 -0.224 -1.635 -16.195 393 2HB ASP 59 2HB ASP 59 -0.070 -3.368 -16.442 394 H THR 60 H THR 60 1.219 -3.758 -19.136 395 HA THR 60 HA THR 60 -0.647 -5.747 -20.223 396 HB THR 60 HB THR 60 2.316 -5.676 -20.755 397 HG1 THR 60 HG1 THR 60 2.087 -3.960 -21.973 398 1HG2 THR 60 1HG2 THR 60 -0.086 -6.746 -22.220 399 2HG2 THR 60 2HG2 THR 60 1.278 -7.652 -21.569 400 3HG2 THR 60 3HG2 THR 60 1.500 -6.601 -22.970 401 H ILE 61 H ILE 61 -0.640 -7.876 -19.442 402 HA ILE 61 HA ILE 61 1.362 -8.406 -17.348 403 HB ILE 61 HB ILE 61 -0.199 -9.586 -15.997 404 1HG1 ILE 61 1HG1 ILE 61 -2.741 -9.383 -16.810 405 2HG1 ILE 61 2HG1 ILE 61 -1.971 -9.456 -18.390 406 1HG2 ILE 61 1HG2 ILE 61 -0.193 -7.183 -15.719 407 2HG2 ILE 61 2HG2 ILE 61 -1.794 -7.846 -15.393 408 3HG2 ILE 61 3HG2 ILE 61 -1.473 -7.022 -16.919 409 1HD1 ILE 61 1HD1 ILE 61 -0.912 -11.572 -17.762 410 2HD1 ILE 61 2HD1 ILE 61 -2.672 -11.658 -17.669 411 3HD1 ILE 61 3HD1 ILE 61 -1.716 -11.503 -16.194 412 H THR 62 H THR 62 1.790 -10.722 -17.011 413 HA THR 62 HA THR 62 0.927 -12.519 -19.110 414 HB THR 62 HB THR 62 3.731 -11.551 -18.715 415 HG1 THR 62 HG1 THR 62 2.013 -11.111 -20.510 416 1HG2 THR 62 1HG2 THR 62 4.589 -13.510 -19.935 417 2HG2 THR 62 2HG2 THR 62 2.996 -14.261 -19.822 418 3HG2 THR 62 3HG2 THR 62 3.930 -13.943 -18.357 419 H VAL 63 H VAL 63 0.278 -14.280 -18.107 420 HA VAL 63 HA VAL 63 0.789 -14.957 -15.433 421 HB VAL 63 HB VAL 63 -1.013 -15.817 -17.239 422 1HG1 VAL 63 1HG1 VAL 63 1.058 -17.987 -17.185 423 2HG1 VAL 63 2HG1 VAL 63 0.502 -17.074 -18.590 424 3HG1 VAL 63 3HG1 VAL 63 -0.597 -18.181 -17.766 425 1HG2 VAL 63 1HG2 VAL 63 -1.178 -16.115 -14.828 426 2HG2 VAL 63 2HG2 VAL 63 -0.046 -17.467 -14.914 427 3HG2 VAL 63 3HG2 VAL 63 -1.627 -17.590 -15.686 428 H ILE 64 H ILE 64 2.600 -15.826 -14.530 429 HA ILE 64 HA ILE 64 4.568 -16.950 -16.310 430 HB ILE 64 HB ILE 64 6.132 -16.812 -14.489 431 1HG1 ILE 64 1HG1 ILE 64 4.224 -17.338 -12.740 432 2HG1 ILE 64 2HG1 ILE 64 5.637 -16.409 -12.263 433 1HG2 ILE 64 1HG2 ILE 64 6.084 -14.389 -14.102 434 2HG2 ILE 64 2HG2 ILE 64 4.419 -14.345 -14.688 435 3HG2 ILE 64 3HG2 ILE 64 5.727 -14.808 -15.780 436 1HD1 ILE 64 1HD1 ILE 64 3.729 -15.367 -11.338 437 2HD1 ILE 64 2HD1 ILE 64 2.885 -15.391 -12.882 438 3HD1 ILE 64 3HD1 ILE 64 4.286 -14.343 -12.663 439 H LYS 65 H LYS 65 2.013 -18.548 -15.326 440 HA LYS 65 HA LYS 65 3.545 -20.916 -14.702 441 1HB LYS 65 1HB LYS 65 1.618 -19.590 -12.888 442 2HB LYS 65 2HB LYS 65 1.340 -21.304 -13.137 443 1HG LYS 65 1HG LYS 65 2.670 -21.286 -11.264 444 2HG LYS 65 2HG LYS 65 3.848 -21.547 -12.547 445 1HD LYS 65 1HD LYS 65 4.531 -19.259 -12.480 446 2HD LYS 65 2HD LYS 65 3.209 -18.842 -11.387 447 1HE LYS 65 1HE LYS 65 5.249 -19.003 -10.118 448 2HE LYS 65 2HE LYS 65 4.195 -20.347 -9.687 449 1HZ LYS 65 1HZ LYS 65 5.567 -21.563 -11.528 450 2HZ LYS 65 2HZ LYS 65 6.177 -21.415 -9.957 451 3HZ LYS 65 3HZ LYS 65 6.724 -20.371 -11.178 452 H ASP 66 H ASP 66 2.234 -22.841 -15.112 453 HA ASP 66 HA ASP 66 0.279 -22.531 -17.177 454 1HB ASP 66 1HB ASP 66 0.061 -24.927 -17.217 455 2HB ASP 66 2HB ASP 66 1.759 -24.516 -17.048 456 H LEU 67 H LEU 67 -1.554 -21.643 -16.806 457 HA LEU 67 HA LEU 67 -3.201 -22.421 -14.473 458 1HB LEU 67 1HB LEU 67 -2.795 -19.855 -15.948 459 2HB LEU 67 2HB LEU 67 -4.394 -20.181 -15.322 460 HG LEU 67 HG LEU 67 -2.853 -18.733 -13.912 461 1HD1 LEU 67 1HD1 LEU 67 -3.645 -19.718 -11.812 462 2HD1 LEU 67 2HD1 LEU 67 -4.101 -21.183 -12.684 463 3HD1 LEU 67 3HD1 LEU 67 -4.907 -19.653 -13.042 464 1HD2 LEU 67 1HD2 LEU 67 -1.599 -21.407 -13.325 465 2HD2 LEU 67 2HD2 LEU 67 -1.301 -19.911 -12.438 466 3HD2 LEU 67 3HD2 LEU 67 -0.824 -20.044 -14.131 467 H LYS 68 H LYS 68 -4.999 -23.610 -15.045 468 HA LYS 68 HA LYS 68 -5.827 -23.745 -17.794 469 1HB LYS 68 1HB LYS 68 -7.563 -25.277 -16.982 470 2HB LYS 68 2HB LYS 68 -5.966 -25.727 -16.399 471 1HG LYS 68 1HG LYS 68 -6.435 -24.824 -14.232 472 2HG LYS 68 2HG LYS 68 -7.969 -24.159 -14.796 473 1HD LYS 68 1HD LYS 68 -8.325 -26.208 -13.534 474 2HD LYS 68 2HD LYS 68 -8.788 -26.417 -15.225 475 1HE LYS 68 1HE LYS 68 -6.670 -27.528 -15.681 476 2HE LYS 68 2HE LYS 68 -6.171 -27.292 -14.005 477 1HZ LYS 68 1HZ LYS 68 -8.537 -28.866 -14.868 478 2HZ LYS 68 2HZ LYS 68 -7.959 -28.700 -13.279 479 3HZ LYS 68 3HZ LYS 68 -7.035 -29.526 -14.437 480 H VAL 69 H VAL 69 -8.292 -23.508 -18.290 481 HA VAL 69 HA VAL 69 -9.479 -21.305 -16.744 482 HB VAL 69 HB VAL 69 -9.779 -21.727 -19.734 483 1HG1 VAL 69 1HG1 VAL 69 -10.889 -19.573 -19.724 484 2HG1 VAL 69 2HG1 VAL 69 -10.657 -19.444 -17.978 485 3HG1 VAL 69 3HG1 VAL 69 -11.704 -20.701 -18.640 486 1HG2 VAL 69 1HG2 VAL 69 -7.507 -20.967 -19.219 487 2HG2 VAL 69 2HG2 VAL 69 -8.177 -19.585 -18.347 488 3HG2 VAL 69 3HG2 VAL 69 -8.441 -19.747 -20.086 489 H LYS 70 H LYS 70 -11.463 -22.008 -15.924 490 HA LYS 70 HA LYS 70 -12.037 -24.746 -16.305 491 1HB LYS 70 1HB LYS 70 -13.885 -24.373 -14.725 492 2HB LYS 70 2HB LYS 70 -12.334 -23.783 -14.150 493 1HG LYS 70 1HG LYS 70 -12.998 -21.502 -14.802 494 2HG LYS 70 2HG LYS 70 -14.580 -22.127 -15.275 495 1HD LYS 70 1HD LYS 70 -13.362 -22.288 -12.527 496 2HD LYS 70 2HD LYS 70 -14.632 -21.168 -13.025 497 1HE LYS 70 1HE LYS 70 -16.085 -23.099 -13.531 498 2HE LYS 70 2HE LYS 70 -14.816 -24.180 -12.956 499 1HZ LYS 70 1HZ LYS 70 -14.971 -23.015 -10.780 500 2HZ LYS 70 2HZ LYS 70 -16.367 -23.871 -11.206 501 3HZ LYS 70 3HZ LYS 70 -16.332 -22.183 -11.363 502 H GLY 71 H GLY 71 -13.792 -21.826 -17.356 503 1HA GLY 71 1HA GLY 71 -15.886 -23.548 -18.461 504 2HA GLY 71 2HA GLY 71 -15.969 -21.803 -18.287 505 H SER 72 H SER 72 -13.065 -22.080 -19.511 506 HA SER 72 HA SER 72 -14.063 -21.954 -22.272 507 1HB SER 72 1HB SER 72 -11.633 -20.603 -21.084 508 2HB SER 72 2HB SER 72 -12.232 -20.410 -22.730 509 HG SER 72 HG SER 72 -14.255 -19.682 -21.673 510 H SER 73 H SER 73 -12.760 -22.765 -23.956 511 HA SER 73 HA SER 73 -11.467 -25.227 -23.375 512 1HB SER 73 1HB SER 73 -11.307 -23.691 -25.971 513 2HB SER 73 2HB SER 73 -11.198 -25.435 -25.738 514 HG SER 73 HG SER 73 -13.264 -24.631 -26.524 515 H LEU 74 H LEU 74 -10.382 -22.057 -23.228 516 HA LEU 74 HA LEU 74 -7.752 -22.490 -24.291 517 1HB LEU 74 1HB LEU 74 -9.221 -20.210 -23.092 518 2HB LEU 74 2HB LEU 74 -7.474 -20.159 -23.038 519 HG LEU 74 HG LEU 74 -7.410 -20.380 -25.502 520 1HD1 LEU 74 1HD1 LEU 74 -9.513 -21.573 -25.812 521 2HD1 LEU 74 2HD1 LEU 74 -9.455 -20.111 -26.798 522 3HD1 LEU 74 3HD1 LEU 74 -10.408 -20.137 -25.313 523 1HD2 LEU 74 1HD2 LEU 74 -7.334 -18.179 -24.474 524 2HD2 LEU 74 2HD2 LEU 74 -9.095 -18.104 -24.470 525 3HD2 LEU 74 3HD2 LEU 74 -8.218 -18.125 -25.999 526 H VAL 75 H VAL 75 -5.983 -22.979 -23.245 527 HA VAL 75 HA VAL 75 -5.985 -23.074 -20.327 528 HB VAL 75 HB VAL 75 -4.085 -24.425 -22.261 529 1HG1 VAL 75 1HG1 VAL 75 -3.266 -25.625 -20.284 530 2HG1 VAL 75 2HG1 VAL 75 -4.332 -24.659 -19.263 531 3HG1 VAL 75 3HG1 VAL 75 -3.013 -23.885 -20.141 532 1HG2 VAL 75 1HG2 VAL 75 -6.310 -25.411 -22.352 533 2HG2 VAL 75 2HG2 VAL 75 -6.317 -25.584 -20.597 534 3HG2 VAL 75 3HG2 VAL 75 -5.172 -26.508 -21.569 535 H VAL 76 H VAL 76 -4.790 -21.686 -19.258 536 HA VAL 76 HA VAL 76 -3.366 -19.625 -20.691 537 HB VAL 76 HB VAL 76 -4.002 -20.000 -17.757 538 1HG1 VAL 76 1HG1 VAL 76 -1.947 -18.744 -17.958 539 2HG1 VAL 76 2HG1 VAL 76 -3.268 -17.696 -17.443 540 3HG1 VAL 76 3HG1 VAL 76 -2.706 -17.649 -19.115 541 1HG2 VAL 76 1HG2 VAL 76 -5.556 -18.144 -18.123 542 2HG2 VAL 76 2HG2 VAL 76 -5.934 -19.526 -19.152 543 3HG2 VAL 76 3HG2 VAL 76 -5.117 -18.119 -19.831 544 H LYS 77 H LYS 77 -1.360 -19.775 -21.139 545 HA LYS 77 HA LYS 77 0.365 -21.586 -19.589 546 1HB LYS 77 1HB LYS 77 1.812 -21.660 -21.667 547 2HB LYS 77 2HB LYS 77 0.259 -22.471 -21.751 548 1HG LYS 77 1HG LYS 77 0.504 -21.373 -23.801 549 2HG LYS 77 2HG LYS 77 -0.619 -20.379 -22.875 550 1HD LYS 77 1HD LYS 77 1.072 -18.779 -22.392 551 2HD LYS 77 2HD LYS 77 2.335 -19.838 -23.020 552 1HE LYS 77 1HE LYS 77 1.340 -19.661 -25.263 553 2HE LYS 77 2HE LYS 77 0.107 -18.580 -24.616 554 1HZ LYS 77 1HZ LYS 77 2.019 -17.470 -25.740 555 2HZ LYS 77 2HZ LYS 77 3.013 -18.002 -24.472 556 3HZ LYS 77 3HZ LYS 77 1.732 -16.944 -24.157 557 H VAL 78 H VAL 78 2.438 -21.032 -19.054 558 HA VAL 78 HA VAL 78 2.959 -18.464 -18.157 559 HB VAL 78 HB VAL 78 4.297 -20.229 -17.292 560 1HG1 VAL 78 1HG1 VAL 78 4.262 -21.748 -19.176 561 2HG1 VAL 78 2HG1 VAL 78 5.920 -21.498 -18.627 562 3HG1 VAL 78 3HG1 VAL 78 5.341 -20.686 -20.081 563 1HG2 VAL 78 1HG2 VAL 78 6.592 -19.403 -17.580 564 2HG2 VAL 78 2HG2 VAL 78 5.438 -18.089 -17.359 565 3HG2 VAL 78 3HG2 VAL 78 6.064 -18.448 -18.967 566 H GLY 79 H GLY 79 2.569 -16.855 -19.571 567 1HA GLY 79 1HA GLY 79 4.092 -15.387 -21.029 568 2HA GLY 79 2HA GLY 79 4.069 -16.781 -22.105 569 H THR 80 H THR 80 1.232 -16.760 -20.611 570 HA THR 80 HA THR 80 -0.335 -15.882 -22.791 571 HB THR 80 HB THR 80 -1.132 -16.320 -19.916 572 HG1 THR 80 HG1 THR 80 -1.656 -17.742 -22.343 573 1HG2 THR 80 1HG2 THR 80 -2.641 -14.639 -20.865 574 2HG2 THR 80 2HG2 THR 80 -3.473 -16.184 -20.675 575 3HG2 THR 80 3HG2 THR 80 -2.919 -15.670 -22.269 576 H LYS 81 H LYS 81 -0.247 -13.967 -23.532 577 HA LYS 81 HA LYS 81 0.284 -11.708 -21.781 578 1HB LYS 81 1HB LYS 81 1.529 -11.904 -23.900 579 2HB LYS 81 2HB LYS 81 0.025 -11.726 -24.796 580 1HG LYS 81 1HG LYS 81 -0.249 -9.491 -23.643 581 2HG LYS 81 2HG LYS 81 1.408 -9.687 -23.075 582 1HD LYS 81 1HD LYS 81 1.319 -8.325 -25.100 583 2HD LYS 81 2HD LYS 81 2.196 -9.830 -25.378 584 1HE LYS 81 1HE LYS 81 0.293 -10.796 -26.485 585 2HE LYS 81 2HE LYS 81 -0.706 -9.402 -26.073 586 1HZ LYS 81 1HZ LYS 81 0.502 -8.036 -27.532 587 2HZ LYS 81 2HZ LYS 81 0.197 -9.464 -28.401 588 3HZ LYS 81 3HZ LYS 81 1.735 -9.181 -27.738 589 H VAL 82 H VAL 82 -1.316 -10.618 -20.861 590 HA VAL 82 HA VAL 82 -3.696 -10.023 -22.458 591 HB VAL 82 HB VAL 82 -3.646 -10.621 -19.487 592 1HG1 VAL 82 1HG1 VAL 82 -5.213 -8.856 -20.031 593 2HG1 VAL 82 2HG1 VAL 82 -6.077 -10.336 -19.610 594 3HG1 VAL 82 3HG1 VAL 82 -5.927 -9.852 -21.300 595 1HG2 VAL 82 1HG2 VAL 82 -4.893 -12.159 -21.764 596 2HG2 VAL 82 2HG2 VAL 82 -5.081 -12.530 -20.050 597 3HG2 VAL 82 3HG2 VAL 82 -3.495 -12.657 -20.812 598 H LYS 83 H LYS 83 -3.533 -7.920 -22.870 599 HA LYS 83 HA LYS 83 -2.133 -6.220 -20.959 600 1HB LYS 83 1HB LYS 83 -1.763 -4.689 -22.781 601 2HB LYS 83 2HB LYS 83 -1.303 -6.305 -23.287 602 1HG LYS 83 1HG LYS 83 -3.481 -6.522 -24.428 603 2HG LYS 83 2HG LYS 83 -3.806 -4.833 -24.026 604 1HD LYS 83 1HD LYS 83 -1.713 -4.210 -25.207 605 2HD LYS 83 2HD LYS 83 -1.542 -5.894 -25.708 606 1HE LYS 83 1HE LYS 83 -3.862 -4.094 -26.348 607 2HE LYS 83 2HE LYS 83 -2.548 -4.502 -27.446 608 1HZ LYS 83 1HZ LYS 83 -3.236 -6.759 -27.491 609 2HZ LYS 83 2HZ LYS 83 -4.622 -5.816 -27.759 610 3HZ LYS 83 3HZ LYS 83 -4.361 -6.524 -26.243 611 H ASN 84 H ASN 84 -2.853 -3.998 -20.728 612 HA ASN 84 HA ASN 84 -4.349 -2.372 -20.259 613 1HB ASN 84 1HB ASN 84 -5.908 -3.830 -22.382 614 2HB ASN 84 2HB ASN 84 -6.568 -2.427 -21.556 615 1HD2 ASN 84 1HD2 ASN 84 -3.182 -2.801 -22.382 616 2HD2 ASN 84 2HD2 ASN 84 -3.158 -1.570 -23.593 617 H ILE 85 H ILE 85 -4.199 -4.527 -18.411 618 HA ILE 85 HA ILE 85 -6.671 -5.606 -17.736 619 HB ILE 85 HB ILE 85 -5.612 -6.079 -15.581 620 1HG1 ILE 85 1HG1 ILE 85 -3.224 -4.486 -16.544 621 2HG1 ILE 85 2HG1 ILE 85 -4.449 -3.794 -15.489 622 1HG2 ILE 85 1HG2 ILE 85 -3.729 -6.431 -17.913 623 2HG2 ILE 85 2HG2 ILE 85 -5.083 -7.487 -17.502 624 3HG2 ILE 85 3HG2 ILE 85 -3.703 -7.358 -16.411 625 1HD1 ILE 85 1HD1 ILE 85 -2.529 -4.522 -14.204 626 2HD1 ILE 85 2HD1 ILE 85 -2.681 -6.153 -14.858 627 3HD1 ILE 85 3HD1 ILE 85 -3.940 -5.505 -13.806 628 H ARG 86 H ARG 86 -7.545 -5.250 -15.538 629 HA ARG 86 HA ARG 86 -7.927 -2.397 -14.895 630 1HB ARG 86 1HB ARG 86 -10.001 -3.114 -15.783 631 2HB ARG 86 2HB ARG 86 -9.858 -4.707 -15.059 632 1HG ARG 86 1HG ARG 86 -11.471 -3.755 -13.741 633 2HG ARG 86 2HG ARG 86 -10.018 -3.385 -12.812 634 1HD ARG 86 1HD ARG 86 -11.350 -1.417 -12.898 635 2HD ARG 86 2HD ARG 86 -9.954 -1.167 -13.950 636 HE ARG 86 HE ARG 86 -12.662 -1.844 -14.910 637 1HH1 ARG 86 1HH1 ARG 86 -9.549 -0.283 -15.354 638 2HH1 ARG 86 2HH1 ARG 86 -10.010 0.449 -16.866 639 1HH2 ARG 86 1HH2 ARG 86 -13.252 -0.876 -16.880 640 2HH2 ARG 86 2HH2 ARG 86 -12.106 0.116 -17.728 641 H LEU 87 H LEU 87 -7.175 -1.949 -12.777 642 HA LEU 87 HA LEU 87 -6.552 -4.193 -11.091 643 1HB LEU 87 1HB LEU 87 -6.416 -1.235 -10.489 644 2HB LEU 87 2HB LEU 87 -5.617 -2.523 -9.609 645 HG LEU 87 HG LEU 87 -4.993 -1.767 -12.455 646 1HD1 LEU 87 1HD1 LEU 87 -2.968 -0.762 -11.572 647 2HD1 LEU 87 2HD1 LEU 87 -3.503 -1.118 -9.932 648 3HD1 LEU 87 3HD1 LEU 87 -4.404 0.028 -10.922 649 1HD2 LEU 87 1HD2 LEU 87 -4.494 -4.087 -11.958 650 2HD2 LEU 87 2HD2 LEU 87 -3.586 -3.597 -10.528 651 3HD2 LEU 87 3HD2 LEU 87 -3.009 -3.154 -12.135 652 H VAL 88 H VAL 88 -7.977 -5.042 -9.713 653 HA VAL 88 HA VAL 88 -10.507 -3.657 -9.313 654 HB VAL 88 HB VAL 88 -9.997 -6.279 -8.000 655 1HG1 VAL 88 1HG1 VAL 88 -12.164 -5.225 -7.805 656 2HG1 VAL 88 2HG1 VAL 88 -12.300 -6.690 -8.778 657 3HG1 VAL 88 3HG1 VAL 88 -12.294 -5.107 -9.559 658 1HG2 VAL 88 1HG2 VAL 88 -8.916 -6.705 -10.091 659 2HG2 VAL 88 2HG2 VAL 88 -10.234 -5.942 -10.985 660 3HG2 VAL 88 3HG2 VAL 88 -10.510 -7.463 -10.137 661 H ASP 89 H ASP 89 -11.387 -4.175 -6.887 662 HA ASP 89 HA ASP 89 -10.004 -2.380 -5.242 663 1HB ASP 89 1HB ASP 89 -12.371 -2.763 -4.930 664 2HB ASP 89 2HB ASP 89 -12.084 -4.454 -4.531 665 H GLY 90 H GLY 90 -10.171 -5.923 -5.108 666 1HA GLY 90 1HA GLY 90 -8.361 -6.012 -2.856 667 2HA GLY 90 2HA GLY 90 -9.066 -7.390 -3.687 668 H ASP 91 H ASP 91 -6.277 -6.532 -2.827 669 HA ASP 91 HA ASP 91 -4.625 -6.116 -5.044 670 1HB ASP 91 1HB ASP 91 -3.578 -5.721 -3.028 671 2HB ASP 91 2HB ASP 91 -4.267 -7.146 -2.265 672 H HIS 92 H HIS 92 -6.331 -8.903 -4.097 673 HA HIS 92 HA HIS 92 -4.651 -10.657 -5.739 674 1HB HIS 92 1HB HIS 92 -6.656 -11.160 -3.572 675 2HB HIS 92 2HB HIS 92 -6.315 -12.422 -4.750 676 HD1 HIS 92 HD1 HIS 92 -3.662 -10.112 -3.317 677 HD2 HIS 92 HD2 HIS 92 -4.892 -14.087 -3.098 678 HE1 HIS 92 HE1 HIS 92 -1.871 -11.311 -2.032 679 HE2 HIS 92 HE2 HIS 92 -2.623 -13.710 -1.904 680 H ASP 93 H ASP 93 -5.700 -9.169 -7.513 681 HA ASP 93 HA ASP 93 -7.960 -10.337 -8.681 682 1HB ASP 93 1HB ASP 93 -8.507 -7.890 -7.047 683 2HB ASP 93 2HB ASP 93 -9.471 -8.232 -8.477 684 H ILE 94 H ILE 94 -6.983 -10.254 -10.619 685 HA ILE 94 HA ILE 94 -6.677 -7.557 -11.768 686 HB ILE 94 HB ILE 94 -5.638 -10.156 -12.904 687 1HG1 ILE 94 1HG1 ILE 94 -3.443 -8.610 -12.397 688 2HG1 ILE 94 2HG1 ILE 94 -4.472 -8.238 -11.015 689 1HG2 ILE 94 1HG2 ILE 94 -5.224 -7.306 -13.767 690 2HG2 ILE 94 2HG2 ILE 94 -6.137 -8.549 -14.624 691 3HG2 ILE 94 3HG2 ILE 94 -4.390 -8.706 -14.440 692 1HD1 ILE 94 1HD1 ILE 94 -2.972 -10.079 -10.539 693 2HD1 ILE 94 2HD1 ILE 94 -3.637 -10.973 -11.906 694 3HD1 ILE 94 3HD1 ILE 94 -4.656 -10.604 -10.515 695 H ASP 95 H ASP 95 -8.419 -6.924 -12.820 696 HA ASP 95 HA ASP 95 -10.112 -8.919 -14.071 697 1HB ASP 95 1HB ASP 95 -11.043 -7.058 -12.697 698 2HB ASP 95 2HB ASP 95 -10.453 -5.916 -13.899 699 H CYS 96 H CYS 96 -10.226 -9.257 -16.196 700 HA CYS 96 HA CYS 96 -8.835 -7.453 -18.006 701 1HB CYS 96 1HB CYS 96 -7.503 -9.313 -18.974 702 2HB CYS 96 2HB CYS 96 -7.058 -8.943 -17.311 703 HG CYS 96 HG CYS 96 -9.068 -11.130 -16.609 704 H LYS 97 H LYS 97 -9.311 -7.835 -20.207 705 HA LYS 97 HA LYS 97 -11.639 -9.562 -20.654 706 1HB LYS 97 1HB LYS 97 -11.094 -6.831 -21.842 707 2HB LYS 97 2HB LYS 97 -12.404 -7.895 -22.342 708 1HG LYS 97 1HG LYS 97 -13.365 -7.795 -20.112 709 2HG LYS 97 2HG LYS 97 -12.037 -6.769 -19.572 710 1HD LYS 97 1HD LYS 97 -12.729 -5.041 -21.162 711 2HD LYS 97 2HD LYS 97 -14.056 -6.072 -21.704 712 1HE LYS 97 1HE LYS 97 -15.023 -6.028 -19.466 713 2HE LYS 97 2HE LYS 97 -13.680 -5.044 -18.891 714 1HZ LYS 97 1HZ LYS 97 -14.370 -3.258 -20.305 715 2HZ LYS 97 2HZ LYS 97 -15.704 -3.757 -19.383 716 3HZ LYS 97 3HZ LYS 97 -15.581 -4.210 -21.014 717 H ILE 98 H ILE 98 -11.513 -10.903 -22.356 718 HA ILE 98 HA ILE 98 -8.953 -10.859 -23.808 719 HB ILE 98 HB ILE 98 -10.369 -13.287 -22.696 720 1HG1 ILE 98 1HG1 ILE 98 -7.666 -12.259 -21.868 721 2HG1 ILE 98 2HG1 ILE 98 -9.135 -11.659 -21.106 722 1HG2 ILE 98 1HG2 ILE 98 -7.738 -13.042 -24.150 723 2HG2 ILE 98 2HG2 ILE 98 -9.212 -13.775 -24.781 724 3HG2 ILE 98 3HG2 ILE 98 -8.372 -14.516 -23.418 725 1HD1 ILE 98 1HD1 ILE 98 -8.111 -13.436 -19.811 726 2HD1 ILE 98 2HD1 ILE 98 -8.248 -14.528 -21.190 727 3HD1 ILE 98 3HD1 ILE 98 -9.703 -13.907 -20.408 728 H ASP 99 H ASP 99 -9.262 -10.698 -25.905 729 HA ASP 99 HA ASP 99 -11.719 -10.812 -27.204 730 1HB ASP 99 1HB ASP 99 -8.956 -11.224 -28.371 731 2HB ASP 99 2HB ASP 99 -10.411 -10.935 -29.317 732 H GLY 100 H GLY 100 -13.007 -12.440 -27.669 733 1HA GLY 100 1HA GLY 100 -13.203 -14.534 -28.959 734 2HA GLY 100 2HA GLY 100 -11.807 -15.108 -28.059 735 H ILE 101 H ILE 101 -12.062 -15.419 -25.738 736 HA ILE 101 HA ILE 101 -14.515 -16.798 -25.224 737 HB ILE 101 HB ILE 101 -13.517 -17.273 -22.981 738 1HG1 ILE 101 1HG1 ILE 101 -11.110 -15.827 -24.118 739 2HG1 ILE 101 2HG1 ILE 101 -12.125 -15.226 -22.811 740 1HG2 ILE 101 1HG2 ILE 101 -11.824 -17.898 -25.397 741 2HG2 ILE 101 2HG2 ILE 101 -13.238 -18.798 -24.847 742 3HG2 ILE 101 3HG2 ILE 101 -11.775 -18.765 -23.862 743 1HD1 ILE 101 1HD1 ILE 101 -10.450 -17.725 -22.745 744 2HD1 ILE 101 2HD1 ILE 101 -11.466 -17.129 -21.432 745 3HD1 ILE 101 3HD1 ILE 101 -10.069 -16.191 -21.961 746 H GLY 102 H GLY 102 -12.968 -13.911 -23.821 747 1HA GLY 102 1HA GLY 102 -14.820 -12.125 -23.554 748 2HA GLY 102 2HA GLY 102 -15.499 -13.317 -22.455 749 H ALA 103 H ALA 103 -15.322 -11.937 -20.673 750 HA ALA 103 HA ALA 103 -12.693 -10.933 -19.943 751 1HB ALA 103 1HB ALA 103 -15.346 -10.655 -18.534 752 2HB ALA 103 2HB ALA 103 -14.653 -9.493 -19.666 753 3HB ALA 103 3HB ALA 103 -13.856 -9.805 -18.123 754 H MET 104 H MET 104 -11.584 -11.512 -18.060 755 HA MET 104 HA MET 104 -12.544 -13.848 -16.567 756 1HB MET 104 1HB MET 104 -11.203 -14.707 -18.461 757 2HB MET 104 2HB MET 104 -9.855 -13.700 -17.957 758 1HG MET 104 1HG MET 104 -9.697 -14.956 -15.869 759 2HG MET 104 2HG MET 104 -11.050 -15.964 -16.375 760 1HE MET 104 1HE MET 104 -9.532 -18.116 -15.892 761 2HE MET 104 2HE MET 104 -8.185 -17.073 -15.433 762 3HE MET 104 3HE MET 104 -7.940 -18.363 -16.610 763 H LYS 105 H LYS 105 -11.192 -14.265 -14.652 764 HA LYS 105 HA LYS 105 -9.871 -11.824 -13.680 765 1HB LYS 105 1HB LYS 105 -10.555 -12.356 -11.427 766 2HB LYS 105 2HB LYS 105 -11.976 -12.309 -12.458 767 1HG LYS 105 1HG LYS 105 -10.653 -14.921 -11.951 768 2HG LYS 105 2HG LYS 105 -11.643 -14.202 -10.683 769 1HD LYS 105 1HD LYS 105 -13.496 -14.026 -12.355 770 2HD LYS 105 2HD LYS 105 -12.490 -14.948 -13.477 771 1HE LYS 105 1HE LYS 105 -14.045 -16.424 -12.347 772 2HE LYS 105 2HE LYS 105 -12.394 -16.789 -11.846 773 1HZ LYS 105 1HZ LYS 105 -13.868 -16.773 -9.950 774 2HZ LYS 105 2HZ LYS 105 -14.380 -15.198 -10.310 775 3HZ LYS 105 3HZ LYS 105 -12.781 -15.478 -9.828 776 H LEU 106 H LEU 106 -7.908 -12.066 -12.645 777 HA LEU 106 HA LEU 106 -6.671 -14.718 -13.007 778 1HB LEU 106 1HB LEU 106 -5.361 -12.027 -13.383 779 2HB LEU 106 2HB LEU 106 -4.631 -13.594 -13.673 780 HG LEU 106 HG LEU 106 -6.949 -12.445 -15.234 781 1HD1 LEU 106 1HD1 LEU 106 -5.318 -12.207 -17.042 782 2HD1 LEU 106 2HD1 LEU 106 -4.037 -12.744 -15.953 783 3HD1 LEU 106 3HD1 LEU 106 -4.885 -11.228 -15.639 784 1HD2 LEU 106 1HD2 LEU 106 -6.557 -14.317 -16.755 785 2HD2 LEU 106 2HD2 LEU 106 -6.990 -14.884 -15.142 786 3HD2 LEU 106 3HD2 LEU 106 -5.309 -14.943 -15.676 787 H LYS 107 H LYS 107 -5.308 -15.433 -11.514 788 HA LYS 107 HA LYS 107 -5.348 -14.165 -8.930 789 1HB LYS 107 1HB LYS 107 -5.494 -16.609 -9.137 790 2HB LYS 107 2HB LYS 107 -3.873 -16.638 -9.814 791 1HG LYS 107 1HG LYS 107 -2.875 -16.329 -7.810 792 2HG LYS 107 2HG LYS 107 -4.191 -15.330 -7.186 793 1HD LYS 107 1HD LYS 107 -4.459 -18.285 -7.655 794 2HD LYS 107 2HD LYS 107 -3.918 -17.607 -6.115 795 1HE LYS 107 1HE LYS 107 -6.020 -16.283 -6.030 796 2HE LYS 107 2HE LYS 107 -6.555 -17.107 -7.494 797 1HZ LYS 107 1HZ LYS 107 -5.902 -18.441 -4.923 798 2HZ LYS 107 2HZ LYS 107 -6.489 -19.200 -6.325 799 3HZ LYS 107 3HZ LYS 107 -7.466 -18.102 -5.478 800 H SER 108 H SER 108 -4.045 -12.662 -8.313 801 HA SER 108 HA SER 108 -2.009 -11.507 -9.703 802 1HB SER 108 1HB SER 108 -2.022 -11.660 -6.695 803 2HB SER 108 2HB SER 108 -1.516 -10.315 -7.718 804 HG SER 108 HG SER 108 -3.494 -9.718 -7.119 805 H GLU 109 H GLU 109 -1.804 -14.195 -7.431 806 HA GLU 109 HA GLU 109 1.009 -14.218 -7.237 807 1HB GLU 109 1HB GLU 109 -0.904 -16.489 -6.718 808 2HB GLU 109 2HB GLU 109 0.702 -16.274 -6.034 809 1HG GLU 109 1HG GLU 109 -0.046 -14.342 -4.801 810 2HG GLU 109 2HG GLU 109 -1.643 -14.458 -5.537 811 H PHE 110 H PHE 110 -1.025 -15.201 -9.795 812 HA PHE 110 HA PHE 110 1.093 -17.002 -10.736 813 1HB PHE 110 1HB PHE 110 -1.851 -16.870 -11.319 814 2HB PHE 110 2HB PHE 110 -0.750 -17.793 -12.329 815 HD1 PHE 110 HD1 PHE 110 1.009 -19.176 -10.651 816 HD2 PHE 110 HD2 PHE 110 -3.065 -18.208 -9.909 817 HE1 PHE 110 HE1 PHE 110 0.843 -21.077 -9.098 818 HE2 PHE 110 HE2 PHE 110 -3.239 -20.102 -8.351 819 HZ PHE 110 HZ PHE 110 -1.283 -21.542 -7.945 820 H VAL 111 H VAL 111 0.235 -13.859 -11.084 821 HA VAL 111 HA VAL 111 0.778 -13.894 -13.985 822 HB VAL 111 HB VAL 111 -0.393 -11.790 -14.214 823 1HG1 VAL 111 1HG1 VAL 111 -2.007 -13.846 -12.711 824 2HG1 VAL 111 2HG1 VAL 111 -1.699 -13.813 -14.448 825 3HG1 VAL 111 3HG1 VAL 111 -2.676 -12.548 -13.701 826 1HG2 VAL 111 1HG2 VAL 111 0.096 -10.784 -12.067 827 2HG2 VAL 111 2HG2 VAL 111 -0.898 -11.990 -11.246 828 3HG2 VAL 111 3HG2 VAL 111 -1.648 -10.818 -12.330 829 H ARG 112 H ARG 112 1.706 -11.729 -14.753 830 HA ARG 112 HA ARG 112 3.561 -10.507 -12.899 831 1HB ARG 112 1HB ARG 112 5.109 -12.092 -13.489 832 2HB ARG 112 2HB ARG 112 4.387 -12.370 -15.071 833 1HG ARG 112 1HG ARG 112 5.455 -10.562 -16.026 834 2HG ARG 112 2HG ARG 112 5.709 -9.762 -14.478 835 1HD ARG 112 1HD ARG 112 7.324 -11.608 -13.924 836 2HD ARG 112 2HD ARG 112 7.177 -12.127 -15.595 837 HE ARG 112 HE ARG 112 7.754 -9.417 -15.647 838 1HH1 ARG 112 1HH1 ARG 112 9.317 -12.375 -14.586 839 2HH1 ARG 112 2HH1 ARG 112 10.926 -11.750 -14.833 840 1HH2 ARG 112 1HH2 ARG 112 9.850 -8.590 -15.939 841 2HH2 ARG 112 2HH2 ARG 112 11.227 -9.601 -15.606 842 H LYS 113 H LYS 113 3.847 -8.402 -13.366 843 HA LYS 113 HA LYS 113 2.927 -7.099 -15.662 844 1HB LYS 113 1HB LYS 113 3.575 -5.965 -13.552 845 2HB LYS 113 2HB LYS 113 5.258 -6.349 -13.882 846 1HG LYS 113 1HG LYS 113 4.811 -5.083 -16.119 847 2HG LYS 113 2HG LYS 113 3.468 -4.378 -15.218 848 1HD LYS 113 1HD LYS 113 5.410 -2.949 -15.036 849 2HD LYS 113 2HD LYS 113 5.058 -3.671 -13.463 850 1HE LYS 113 1HE LYS 113 6.808 -5.308 -13.781 851 2HE LYS 113 2HE LYS 113 7.106 -4.716 -15.415 852 1HZ LYS 113 1HZ LYS 113 8.739 -3.871 -13.851 853 2HZ LYS 113 2HZ LYS 113 7.519 -3.163 -12.913 854 3HZ LYS 113 3HZ LYS 113 7.814 -2.604 -14.489 855 H VAL 114 H VAL 114 3.599 -7.411 -17.702 856 HA VAL 114 HA VAL 114 5.844 -8.831 -18.512 857 HB VAL 114 HB VAL 114 4.431 -6.653 -20.063 858 1HG1 VAL 114 1HG1 VAL 114 6.583 -7.208 -21.047 859 2HG1 VAL 114 2HG1 VAL 114 5.270 -7.819 -22.054 860 3HG1 VAL 114 3HG1 VAL 114 6.174 -8.922 -21.018 861 1HG2 VAL 114 1HG2 VAL 114 3.935 -9.625 -19.979 862 2HG2 VAL 114 2HG2 VAL 114 3.125 -8.472 -21.040 863 3HG2 VAL 114 3HG2 VAL 114 2.895 -8.378 -19.294 864 H GLY 115 H GLY 115 5.415 -5.288 -18.521 865 1HA GLY 115 1HA GLY 115 7.317 -3.964 -17.621 866 2HA GLY 115 2HA GLY 115 8.368 -5.053 -18.520 867 H SER 116 H SER 116 5.742 -4.701 -20.372 868 HA SER 116 HA SER 116 6.783 -2.333 -21.768 869 1HB SER 116 1HB SER 116 5.390 -4.754 -22.948 870 2HB SER 116 2HB SER 116 5.918 -3.337 -23.854 871 HG SER 116 HG SER 116 7.646 -5.025 -22.344 Start of MODEL 2 1 H MET 1 H MET 1 17.734 23.602 20.241 2 HA MET 1 HA MET 1 17.385 21.307 22.060 3 1HB MET 1 1HB MET 1 15.550 22.717 23.068 4 2HB MET 1 2HB MET 1 17.187 23.253 23.417 5 1HG MET 1 1HG MET 1 16.852 25.219 22.453 6 2HG MET 1 2HG MET 1 16.151 24.483 21.015 7 1HE MET 1 1HE MET 1 13.709 24.017 20.623 8 2HE MET 1 2HE MET 1 12.403 24.269 21.787 9 3HE MET 1 3HE MET 1 13.575 22.976 22.042 10 H VAL 2 H VAL 2 16.884 22.281 19.071 11 HA VAL 2 HA VAL 2 14.054 21.825 18.835 12 HB VAL 2 HB VAL 2 15.125 23.404 17.318 13 1HG1 VAL 2 1HG1 VAL 2 17.318 22.397 17.119 14 2HG1 VAL 2 2HG1 VAL 2 16.609 22.640 15.522 15 3HG1 VAL 2 3HG1 VAL 2 16.633 21.029 16.240 16 1HG2 VAL 2 1HG2 VAL 2 14.190 22.590 15.206 17 2HG2 VAL 2 2HG2 VAL 2 13.107 22.286 16.563 18 3HG2 VAL 2 3HG2 VAL 2 14.069 20.970 15.891 19 H SER 3 H SER 3 13.067 19.951 18.524 20 HA SER 3 HA SER 3 14.520 17.520 18.648 21 1HB SER 3 1HB SER 3 11.610 17.852 17.939 22 2HB SER 3 2HB SER 3 12.385 16.450 18.672 23 HG SER 3 HG SER 3 11.948 17.325 20.523 24 H THR 4 H THR 4 14.761 15.910 17.126 25 HA THR 4 HA THR 4 14.509 16.767 14.332 26 HB THR 4 HB THR 4 16.078 14.878 13.872 27 HG1 THR 4 HG1 THR 4 15.467 13.695 15.855 28 1HG2 THR 4 1HG2 THR 4 16.952 17.113 14.182 29 2HG2 THR 4 2HG2 THR 4 18.041 15.958 14.952 30 3HG2 THR 4 3HG2 THR 4 16.926 16.912 15.934 31 H LEU 5 H LEU 5 12.205 15.968 15.739 32 HA LEU 5 HA LEU 5 11.600 13.217 15.013 33 1HB LEU 5 1HB LEU 5 9.885 15.328 16.337 34 2HB LEU 5 2HB LEU 5 9.511 13.620 16.212 35 HG LEU 5 HG LEU 5 11.929 14.640 17.679 36 1HD1 LEU 5 1HD1 LEU 5 9.166 14.075 18.723 37 2HD1 LEU 5 2HD1 LEU 5 9.992 15.629 18.706 38 3HD1 LEU 5 3HD1 LEU 5 10.594 14.320 19.723 39 1HD2 LEU 5 1HD2 LEU 5 12.005 12.298 17.018 40 2HD2 LEU 5 2HD2 LEU 5 10.426 12.025 17.753 41 3HD2 LEU 5 3HD2 LEU 5 11.808 12.444 18.765 42 HA PRO 6 HA PRO 6 9.051 14.312 11.456 43 1HB PRO 6 1HB PRO 6 6.819 12.817 11.801 44 2HB PRO 6 2HB PRO 6 8.362 12.099 11.317 45 1HG PRO 6 1HG PRO 6 7.140 12.288 14.049 46 2HG PRO 6 2HG PRO 6 7.854 10.873 13.252 47 1HD PRO 6 1HD PRO 6 9.250 12.307 15.034 48 2HD PRO 6 2HD PRO 6 10.031 11.627 13.591 49 HA PRO 7 HA PRO 7 6.308 17.459 12.913 50 1HB PRO 7 1HB PRO 7 4.728 17.315 10.473 51 2HB PRO 7 2HB PRO 7 5.858 18.566 10.990 52 1HG PRO 7 1HG PRO 7 6.343 16.888 8.907 53 2HG PRO 7 2HG PRO 7 7.625 17.601 9.902 54 1HD PRO 7 1HD PRO 7 6.451 14.847 10.006 55 2HD PRO 7 2HD PRO 7 8.142 15.363 10.189 56 H CYS 8 H CYS 8 3.743 17.955 12.459 57 HA CYS 8 HA CYS 8 2.373 15.705 13.722 58 1HB CYS 8 1HB CYS 8 2.152 17.703 14.986 59 2HB CYS 8 2HB CYS 8 1.818 18.664 13.553 60 HA PRO 9 HA PRO 9 0.447 14.902 9.764 61 1HB PRO 9 1HB PRO 9 -1.355 13.062 10.631 62 2HB PRO 9 2HB PRO 9 0.358 12.692 10.398 63 1HG PRO 9 1HG PRO 9 -1.103 13.373 12.924 64 2HG PRO 9 2HG PRO 9 0.092 12.094 12.636 65 1HD PRO 9 1HD PRO 9 0.756 14.409 13.827 66 2HD PRO 9 2HD PRO 9 1.877 13.562 12.743 67 H GLN 10 H GLN 10 -0.677 16.740 12.142 68 HA GLN 10 HA GLN 10 -3.338 17.057 10.950 69 1HB GLN 10 1HB GLN 10 -2.583 17.707 13.799 70 2HB GLN 10 2HB GLN 10 -4.192 17.769 13.088 71 1HG GLN 10 1HG GLN 10 -4.196 15.373 12.800 72 2HG GLN 10 2HG GLN 10 -2.542 15.274 13.402 73 1HE2 GLN 10 1HE2 GLN 10 -2.152 15.714 15.588 74 2HE2 GLN 10 2HE2 GLN 10 -3.397 15.564 16.761 75 H CYS 11 H CYS 11 -0.461 18.758 12.340 76 HA CYS 11 HA CYS 11 -1.541 21.273 11.320 77 1HB CYS 11 1HB CYS 11 0.774 20.755 13.209 78 2HB CYS 11 2HB CYS 11 0.120 22.327 12.778 79 H ASN 12 H ASN 12 1.305 19.198 11.490 80 HA ASN 12 HA ASN 12 3.161 18.925 10.239 81 1HB ASN 12 1HB ASN 12 1.421 18.908 8.391 82 2HB ASN 12 2HB ASN 12 1.849 20.590 8.089 83 1HD2 ASN 12 1HD2 ASN 12 2.600 20.152 6.027 84 2HD2 ASN 12 2HD2 ASN 12 4.090 19.314 5.748 85 H SER 13 H SER 13 2.198 21.762 11.437 86 HA SER 13 HA SER 13 3.846 23.721 10.415 87 1HB SER 13 1HB SER 13 3.215 23.512 13.349 88 2HB SER 13 2HB SER 13 3.381 24.965 12.362 89 HG SER 13 HG SER 13 1.159 24.020 12.953 90 H GLU 14 H GLU 14 4.594 22.267 13.609 91 HA GLU 14 HA GLU 14 7.201 21.451 13.185 92 1HB GLU 14 1HB GLU 14 8.530 23.418 13.930 93 2HB GLU 14 2HB GLU 14 7.746 23.663 12.374 94 1HG GLU 14 1HG GLU 14 6.035 25.011 13.392 95 2HG GLU 14 2HG GLU 14 6.671 24.668 14.999 96 H TYR 15 H TYR 15 4.792 22.684 15.291 97 HA TYR 15 HA TYR 15 6.424 22.877 17.633 98 1HB TYR 15 1HB TYR 15 3.415 22.984 17.371 99 2HB TYR 15 2HB TYR 15 4.356 23.492 18.769 100 HD1 TYR 15 HD1 TYR 15 3.247 24.358 15.416 101 HD2 TYR 15 HD2 TYR 15 5.712 25.550 18.670 102 HE1 TYR 15 HE1 TYR 15 3.423 26.605 14.448 103 HE2 TYR 15 HE2 TYR 15 5.894 27.807 17.708 104 HH TYR 15 HH TYR 15 3.918 28.830 15.044 105 H THR 16 H THR 16 6.437 20.264 16.505 106 HA THR 16 HA THR 16 4.968 18.677 18.471 107 HB THR 16 HB THR 16 6.602 17.606 16.179 108 HG1 THR 16 HG1 THR 16 4.307 19.116 16.100 109 1HG2 THR 16 1HG2 THR 16 5.734 16.016 17.843 110 2HG2 THR 16 2HG2 THR 16 4.967 15.795 16.269 111 3HG2 THR 16 3HG2 THR 16 4.107 16.631 17.562 112 H TYR 17 H TYR 17 6.067 17.245 19.892 113 HA TYR 17 HA TYR 17 8.969 17.279 19.926 114 1HB TYR 17 1HB TYR 17 9.206 18.080 22.164 115 2HB TYR 17 2HB TYR 17 8.218 19.261 21.307 116 HD1 TYR 17 HD1 TYR 17 5.704 19.331 21.785 117 HD2 TYR 17 HD2 TYR 17 8.414 16.952 24.060 118 HE1 TYR 17 HE1 TYR 17 4.043 19.150 23.583 119 HE2 TYR 17 HE2 TYR 17 6.751 16.764 25.853 120 HH TYR 17 HH TYR 17 4.812 17.901 26.691 121 H GLU 18 H GLU 18 9.731 15.812 21.867 122 HA GLU 18 HA GLU 18 7.964 13.479 21.850 123 1HB GLU 18 1HB GLU 18 10.010 12.264 22.598 124 2HB GLU 18 2HB GLU 18 10.179 13.033 21.029 125 1HG GLU 18 1HG GLU 18 11.108 14.450 23.492 126 2HG GLU 18 2HG GLU 18 12.103 13.185 22.771 127 H ASP 19 H ASP 19 6.712 13.193 23.634 128 HA ASP 19 HA ASP 19 7.937 13.817 26.225 129 1HB ASP 19 1HB ASP 19 5.878 15.168 25.568 130 2HB ASP 19 2HB ASP 19 4.976 13.659 25.688 131 H GLY 20 H GLY 20 8.902 11.661 25.937 132 1HA GLY 20 1HA GLY 20 8.835 9.632 27.177 133 2HA GLY 20 2HA GLY 20 7.082 9.651 27.055 134 H ALA 21 H ALA 21 6.249 8.204 25.729 135 HA ALA 21 HA ALA 21 8.070 6.858 23.862 136 1HB ALA 21 1HB ALA 21 7.064 5.484 25.616 137 2HB ALA 21 2HB ALA 21 6.544 4.970 24.010 138 3HB ALA 21 3HB ALA 21 5.457 5.917 25.028 139 H LEU 22 H LEU 22 6.342 9.367 23.420 140 HA LEU 22 HA LEU 22 5.417 8.574 20.819 141 1HB LEU 22 1HB LEU 22 3.154 9.132 21.012 142 2HB LEU 22 2HB LEU 22 3.491 8.136 22.413 143 HG LEU 22 HG LEU 22 3.409 11.151 22.511 144 1HD1 LEU 22 1HD1 LEU 22 1.248 10.323 21.799 145 2HD1 LEU 22 2HD1 LEU 22 1.171 10.884 23.472 146 3HD1 LEU 22 3HD1 LEU 22 1.240 9.156 23.124 147 1HD2 LEU 22 1HD2 LEU 22 3.123 10.775 24.923 148 2HD2 LEU 22 2HD2 LEU 22 4.654 10.131 24.333 149 3HD2 LEU 22 3HD2 LEU 22 3.308 9.039 24.667 150 H LEU 23 H LEU 23 4.194 10.663 19.899 151 HA LEU 23 HA LEU 23 5.863 12.993 20.540 152 1HB LEU 23 1HB LEU 23 4.288 12.604 18.005 153 2HB LEU 23 2HB LEU 23 5.620 13.705 18.297 154 HG LEU 23 HG LEU 23 5.828 10.702 18.065 155 1HD1 LEU 23 1HD1 LEU 23 6.719 12.907 16.218 156 2HD1 LEU 23 2HD1 LEU 23 5.374 11.799 15.943 157 3HD1 LEU 23 3HD1 LEU 23 7.027 11.185 15.997 158 1HD2 LEU 23 1HD2 LEU 23 7.995 12.766 18.394 159 2HD2 LEU 23 2HD2 LEU 23 8.230 11.036 18.163 160 3HD2 LEU 23 3HD2 LEU 23 7.466 11.635 19.636 161 H VAL 24 H VAL 24 4.819 14.817 21.254 162 HA VAL 24 HA VAL 24 1.881 14.735 21.310 163 HB VAL 24 HB VAL 24 3.749 16.062 23.283 164 1HG1 VAL 24 1HG1 VAL 24 1.731 16.375 24.633 165 2HG1 VAL 24 2HG1 VAL 24 0.761 15.682 23.333 166 3HG1 VAL 24 3HG1 VAL 24 1.624 17.200 23.078 167 1HG2 VAL 24 1HG2 VAL 24 3.062 14.307 24.849 168 2HG2 VAL 24 2HG2 VAL 24 3.919 13.655 23.451 169 3HG2 VAL 24 3HG2 VAL 24 2.162 13.515 23.553 170 H CYS 25 H CYS 25 0.899 16.431 20.263 171 HA CYS 25 HA CYS 25 2.615 18.674 19.497 172 1HB CYS 25 1HB CYS 25 1.435 17.412 17.710 173 2HB CYS 25 2HB CYS 25 -0.098 17.839 18.457 174 HA PRO 26 HA PRO 26 0.271 20.768 22.764 175 1HB PRO 26 1HB PRO 26 1.961 22.887 22.912 176 2HB PRO 26 2HB PRO 26 2.271 21.355 23.738 177 1HG PRO 26 1HG PRO 26 3.380 22.374 21.155 178 2HG PRO 26 2HG PRO 26 4.208 21.519 22.471 179 1HD PRO 26 1HD PRO 26 3.402 20.284 20.193 180 2HD PRO 26 2HD PRO 26 3.469 19.456 21.762 181 H GLU 27 H GLU 27 1.053 21.438 19.562 182 HA GLU 27 HA GLU 27 -0.029 24.045 19.302 183 1HB GLU 27 1HB GLU 27 1.578 22.929 17.711 184 2HB GLU 27 2HB GLU 27 0.233 21.948 17.147 185 1HG GLU 27 1HG GLU 27 -0.946 23.983 16.465 186 2HG GLU 27 2HG GLU 27 0.432 24.945 16.998 187 H CYS 28 H CYS 28 -1.369 20.915 18.024 188 HA CYS 28 HA CYS 28 -3.999 22.138 18.173 189 1HB CYS 28 1HB CYS 28 -4.756 20.159 16.902 190 2HB CYS 28 2HB CYS 28 -3.450 21.019 16.097 191 H ALA 29 H ALA 29 -2.286 20.762 20.532 192 HA ALA 29 HA ALA 29 -2.795 19.722 22.444 193 1HB ALA 29 1HB ALA 29 -5.634 20.403 21.691 194 2HB ALA 29 2HB ALA 29 -4.504 21.476 22.517 195 3HB ALA 29 3HB ALA 29 -5.049 19.995 23.304 196 H HIS 30 H HIS 30 -2.361 17.984 20.360 197 HA HIS 30 HA HIS 30 -3.881 15.692 21.293 198 1HB HIS 30 1HB HIS 30 -5.132 16.621 19.306 199 2HB HIS 30 2HB HIS 30 -3.709 16.289 18.335 200 HD1 HIS 30 HD1 HIS 30 -6.411 14.517 20.288 201 HD2 HIS 30 HD2 HIS 30 -3.445 13.668 17.492 202 HE1 HIS 30 HE1 HIS 30 -6.824 12.148 19.552 203 HE2 HIS 30 HE2 HIS 30 -4.932 11.606 17.977 204 H GLU 31 H GLU 31 -2.671 13.869 21.317 205 HA GLU 31 HA GLU 31 0.054 14.108 20.246 206 1HB GLU 31 1HB GLU 31 0.283 12.065 21.975 207 2HB GLU 31 2HB GLU 31 0.516 13.745 22.429 208 1HG GLU 31 1HG GLU 31 -0.847 12.624 24.063 209 2HG GLU 31 2HG GLU 31 -1.792 13.848 23.224 210 H TRP 32 H TRP 32 1.078 11.943 19.698 211 HA TRP 32 HA TRP 32 -0.663 9.863 18.768 212 1HB TRP 32 1HB TRP 32 -0.637 10.217 16.479 213 2HB TRP 32 2HB TRP 32 -0.755 11.866 17.077 214 HD1 TRP 32 HD1 TRP 32 2.139 12.723 17.580 215 HE1 TRP 32 HE1 TRP 32 3.897 12.825 15.691 216 HE3 TRP 32 HE3 TRP 32 -0.074 9.558 14.237 217 HZ2 TRP 32 HZ2 TRP 32 4.281 11.722 13.134 218 HZ3 TRP 32 HZ3 TRP 32 1.051 9.142 12.090 219 HH2 TRP 32 HH2 TRP 32 3.184 10.199 11.551 220 H SER 33 H SER 33 0.579 8.128 17.730 221 HA SER 33 HA SER 33 3.437 8.268 18.417 222 1HB SER 33 1HB SER 33 1.967 6.578 19.648 223 2HB SER 33 2HB SER 33 1.826 5.733 18.107 224 HG SER 33 HG SER 33 3.833 5.683 19.894 225 HA PRO 34 HA PRO 34 4.023 8.689 14.134 226 1HB PRO 34 1HB PRO 34 6.616 7.766 13.936 227 2HB PRO 34 2HB PRO 34 6.156 9.379 14.486 228 1HG PRO 34 1HG PRO 34 6.850 6.957 16.100 229 2HG PRO 34 2HG PRO 34 7.324 8.648 16.354 230 1HD PRO 34 1HD PRO 34 5.371 7.525 17.796 231 2HD PRO 34 2HD PRO 34 5.265 9.212 17.263 232 H ASN 35 H ASN 35 5.213 5.566 15.392 233 HA ASN 35 HA ASN 35 4.588 4.389 12.761 234 1HB ASN 35 1HB ASN 35 6.355 3.346 14.986 235 2HB ASN 35 2HB ASN 35 6.034 2.498 13.478 236 1HD2 ASN 35 1HD2 ASN 35 8.525 3.487 14.651 237 2HD2 ASN 35 2HD2 ASN 35 9.232 4.527 13.454 238 H GLU 36 H GLU 36 3.940 4.184 16.170 239 HA GLU 36 HA GLU 36 2.642 1.681 16.200 240 1HB GLU 36 1HB GLU 36 3.514 2.798 18.207 241 2HB GLU 36 2HB GLU 36 2.296 4.047 18.041 242 1HG GLU 36 1HG GLU 36 0.543 2.368 18.390 243 2HG GLU 36 2HG GLU 36 1.790 1.139 18.606 244 H ALA 37 H ALA 37 1.508 4.938 15.497 245 HA ALA 37 HA ALA 37 -1.259 4.429 15.609 246 1HB ALA 37 1HB ALA 37 -1.517 6.425 14.227 247 2HB ALA 37 2HB ALA 37 0.209 6.406 13.864 248 3HB ALA 37 3HB ALA 37 -0.343 6.691 15.515 249 H ALA 38 H ALA 38 1.133 3.904 13.103 250 HA ALA 38 HA ALA 38 -0.840 3.105 11.151 251 1HB ALA 38 1HB ALA 38 2.168 2.873 11.074 252 2HB ALA 38 2HB ALA 38 1.223 4.223 10.444 253 3HB ALA 38 3HB ALA 38 1.072 2.624 9.716 254 H THR 39 H THR 39 1.556 1.576 13.239 255 HA THR 39 HA THR 39 1.760 -0.509 14.068 256 HB THR 39 HB THR 39 -0.966 -1.047 12.876 257 HG1 THR 39 HG1 THR 39 -0.573 0.677 14.621 258 1HG2 THR 39 1HG2 THR 39 -1.060 -2.869 14.518 259 2HG2 THR 39 2HG2 THR 39 0.594 -2.505 15.011 260 3HG2 THR 39 3HG2 THR 39 0.270 -3.094 13.382 261 H ALA 40 H ALA 40 0.052 -1.044 10.972 262 HA ALA 40 HA ALA 40 2.387 -2.583 10.068 263 1HB ALA 40 1HB ALA 40 0.762 -4.182 10.951 264 2HB ALA 40 2HB ALA 40 0.936 -4.347 9.203 265 3HB ALA 40 3HB ALA 40 -0.472 -3.526 9.875 266 H SER 41 H SER 41 2.932 -2.267 8.004 267 HA SER 41 HA SER 41 1.212 -0.515 6.386 268 1HB SER 41 1HB SER 41 4.131 -1.240 6.030 269 2HB SER 41 2HB SER 41 3.235 -0.059 5.073 270 HG SER 41 HG SER 41 3.140 0.312 7.812 271 H ASP 42 H ASP 42 0.728 -3.348 6.776 272 HA ASP 42 HA ASP 42 0.037 -5.159 5.671 273 1HB ASP 42 1HB ASP 42 0.494 -3.395 3.271 274 2HB ASP 42 2HB ASP 42 -0.165 -5.016 3.185 275 H ASP 43 H ASP 43 0.794 -7.013 4.525 276 HA ASP 43 HA ASP 43 3.662 -7.272 4.768 277 1HB ASP 43 1HB ASP 43 1.546 -9.302 4.009 278 2HB ASP 43 2HB ASP 43 3.248 -9.671 4.262 279 H GLY 44 H GLY 44 1.222 -7.604 2.221 280 1HA GLY 44 1HA GLY 44 3.246 -6.933 0.234 281 2HA GLY 44 2HA GLY 44 2.491 -8.514 0.077 282 H LYS 45 H LYS 45 2.246 -5.213 -0.601 283 HA LYS 45 HA LYS 45 -0.612 -5.305 -1.174 284 1HB LYS 45 1HB LYS 45 1.431 -3.112 -1.590 285 2HB LYS 45 2HB LYS 45 -0.289 -2.953 -1.905 286 1HG LYS 45 1HG LYS 45 0.774 -3.673 0.807 287 2HG LYS 45 2HG LYS 45 0.601 -2.003 0.276 288 1HD LYS 45 1HD LYS 45 -1.344 -2.592 1.542 289 2HD LYS 45 2HD LYS 45 -1.815 -2.459 -0.151 290 1HE LYS 45 1HE LYS 45 -1.862 -4.834 -0.395 291 2HE LYS 45 2HE LYS 45 -1.138 -5.067 1.195 292 1HZ LYS 45 1HZ LYS 45 -3.556 -5.451 1.133 293 2HZ LYS 45 2HZ LYS 45 -3.795 -3.816 0.741 294 3HZ LYS 45 3HZ LYS 45 -3.102 -4.245 2.233 295 H VAL 46 H VAL 46 2.094 -6.373 -2.674 296 HA VAL 46 HA VAL 46 0.948 -5.936 -5.349 297 HB VAL 46 HB VAL 46 3.878 -6.451 -4.921 298 1HG1 VAL 46 1HG1 VAL 46 4.080 -5.376 -7.097 299 2HG1 VAL 46 2HG1 VAL 46 2.341 -5.083 -7.121 300 3HG1 VAL 46 3HG1 VAL 46 2.957 -6.736 -7.159 301 1HG2 VAL 46 1HG2 VAL 46 3.379 -4.476 -3.588 302 2HG2 VAL 46 2HG2 VAL 46 2.566 -3.734 -4.966 303 3HG2 VAL 46 3HG2 VAL 46 4.303 -4.041 -5.026 304 H ILE 47 H ILE 47 1.090 -7.722 -6.797 305 HA ILE 47 HA ILE 47 0.996 -10.268 -5.372 306 HB ILE 47 HB ILE 47 0.328 -10.004 -8.285 307 1HG1 ILE 47 1HG1 ILE 47 -0.718 -8.052 -7.185 308 2HG1 ILE 47 2HG1 ILE 47 -1.917 -9.209 -7.754 309 1HG2 ILE 47 1HG2 ILE 47 0.089 -12.208 -7.487 310 2HG2 ILE 47 2HG2 ILE 47 -1.564 -11.565 -7.490 311 3HG2 ILE 47 3HG2 ILE 47 -0.653 -11.671 -5.981 312 1HD1 ILE 47 1HD1 ILE 47 -0.960 -8.909 -4.918 313 2HD1 ILE 47 2HD1 ILE 47 -2.161 -10.069 -5.485 314 3HD1 ILE 47 3HD1 ILE 47 -2.499 -8.340 -5.565 315 H LYS 48 H LYS 48 2.340 -11.981 -5.810 316 HA LYS 48 HA LYS 48 4.658 -11.406 -7.534 317 1HB LYS 48 1HB LYS 48 4.622 -11.594 -4.802 318 2HB LYS 48 2HB LYS 48 5.065 -13.229 -5.270 319 1HG LYS 48 1HG LYS 48 7.062 -12.575 -6.183 320 2HG LYS 48 2HG LYS 48 6.494 -10.933 -6.501 321 1HD LYS 48 1HD LYS 48 6.997 -12.061 -3.749 322 2HD LYS 48 2HD LYS 48 8.139 -11.055 -4.647 323 1HE LYS 48 1HE LYS 48 6.590 -9.211 -4.664 324 2HE LYS 48 2HE LYS 48 5.323 -10.210 -3.955 325 1HZ LYS 48 1HZ LYS 48 6.449 -8.714 -2.357 326 2HZ LYS 48 2HZ LYS 48 7.889 -9.580 -2.591 327 3HZ LYS 48 3HZ LYS 48 6.536 -10.353 -1.923 328 H ASP 49 H ASP 49 5.680 -13.206 -8.551 329 HA ASP 49 HA ASP 49 3.738 -15.229 -9.341 330 1HB ASP 49 1HB ASP 49 6.514 -14.792 -10.443 331 2HB ASP 49 2HB ASP 49 5.205 -15.691 -11.191 332 H SER 50 H SER 50 4.852 -17.375 -10.014 333 HA SER 50 HA SER 50 6.059 -18.517 -7.639 334 1HB SER 50 1HB SER 50 4.340 -19.758 -8.939 335 2HB SER 50 2HB SER 50 5.462 -19.845 -10.298 336 HG SER 50 HG SER 50 6.254 -20.775 -7.761 337 H VAL 51 H VAL 51 7.167 -16.880 -10.182 338 HA VAL 51 HA VAL 51 9.744 -18.243 -10.459 339 HB VAL 51 HB VAL 51 9.008 -15.594 -11.659 340 1HG1 VAL 51 1HG1 VAL 51 10.541 -16.337 -13.439 341 2HG1 VAL 51 2HG1 VAL 51 10.893 -17.780 -12.485 342 3HG1 VAL 51 3HG1 VAL 51 11.311 -16.184 -11.859 343 1HG2 VAL 51 1HG2 VAL 51 8.361 -18.318 -12.746 344 2HG2 VAL 51 2HG2 VAL 51 8.156 -16.788 -13.603 345 3HG2 VAL 51 3HG2 VAL 51 7.208 -17.121 -12.153 346 H GLY 52 H GLY 52 8.262 -15.945 -8.580 347 1HA GLY 52 1HA GLY 52 9.220 -14.947 -6.667 348 2HA GLY 52 2HA GLY 52 10.803 -15.101 -7.415 349 H ASN 53 H ASN 53 8.751 -13.894 -9.730 350 HA ASN 53 HA ASN 53 9.824 -11.228 -9.322 351 1HB ASN 53 1HB ASN 53 7.998 -11.252 -11.523 352 2HB ASN 53 2HB ASN 53 9.760 -11.067 -11.540 353 1HD2 ASN 53 1HD2 ASN 53 7.114 -13.246 -11.713 354 2HD2 ASN 53 2HD2 ASN 53 7.977 -14.527 -12.486 355 H VAL 54 H VAL 54 8.520 -9.436 -9.692 356 HA VAL 54 HA VAL 54 5.841 -9.624 -8.447 357 HB VAL 54 HB VAL 54 7.514 -7.130 -8.317 358 1HG1 VAL 54 1HG1 VAL 54 6.189 -6.756 -6.279 359 2HG1 VAL 54 2HG1 VAL 54 5.341 -8.276 -6.578 360 3HG1 VAL 54 3HG1 VAL 54 5.188 -6.938 -7.720 361 1HG2 VAL 54 1HG2 VAL 54 8.385 -7.819 -6.138 362 2HG2 VAL 54 2HG2 VAL 54 8.940 -8.897 -7.419 363 3HG2 VAL 54 3HG2 VAL 54 7.640 -9.404 -6.340 364 H LEU 55 H LEU 55 4.109 -8.542 -9.574 365 HA LEU 55 HA LEU 55 4.894 -7.776 -12.264 366 1HB LEU 55 1HB LEU 55 2.162 -8.360 -11.109 367 2HB LEU 55 2HB LEU 55 2.538 -8.129 -12.803 368 HG LEU 55 HG LEU 55 2.355 -10.416 -12.655 369 1HD1 LEU 55 1HD1 LEU 55 5.248 -9.912 -12.151 370 2HD1 LEU 55 2HD1 LEU 55 4.421 -9.836 -13.708 371 3HD1 LEU 55 3HD1 LEU 55 4.550 -11.373 -12.850 372 1HD2 LEU 55 1HD2 LEU 55 3.824 -10.369 -10.039 373 2HD2 LEU 55 2HD2 LEU 55 3.199 -11.804 -10.853 374 3HD2 LEU 55 3HD2 LEU 55 2.085 -10.577 -10.250 375 H GLN 56 H GLN 56 2.409 -6.404 -12.742 376 HA GLN 56 HA GLN 56 2.391 -3.980 -11.215 377 1HB GLN 56 1HB GLN 56 4.438 -3.672 -12.578 378 2HB GLN 56 2HB GLN 56 3.508 -3.984 -14.035 379 1HG GLN 56 1HG GLN 56 2.103 -1.974 -13.383 380 2HG GLN 56 2HG GLN 56 3.364 -1.616 -12.203 381 1HE2 GLN 56 1HE2 GLN 56 3.972 -3.059 -15.328 382 2HE2 GLN 56 2HE2 GLN 56 4.802 -1.705 -16.012 383 H ASP 57 H ASP 57 0.460 -2.772 -11.752 384 HA ASP 57 HA ASP 57 -1.489 -4.208 -13.233 385 1HB ASP 57 1HB ASP 57 -2.906 -2.170 -12.867 386 2HB ASP 57 2HB ASP 57 -2.268 -2.889 -11.399 387 H GLY 58 H GLY 58 -1.039 -4.486 -15.284 388 1HA GLY 58 1HA GLY 58 -1.539 -3.343 -17.462 389 2HA GLY 58 2HA GLY 58 -0.382 -2.126 -16.930 390 H ASP 59 H ASP 59 0.885 -4.755 -15.679 391 HA ASP 59 HA ASP 59 2.911 -5.047 -17.660 392 1HB ASP 59 1HB ASP 59 3.139 -5.298 -15.123 393 2HB ASP 59 2HB ASP 59 2.422 -6.888 -15.321 394 H THR 60 H THR 60 3.599 -7.257 -18.402 395 HA THR 60 HA THR 60 1.257 -8.824 -19.240 396 HB THR 60 HB THR 60 3.962 -8.753 -20.587 397 HG1 THR 60 HG1 THR 60 2.990 -6.682 -20.722 398 1HG2 THR 60 1HG2 THR 60 2.673 -9.651 -22.516 399 2HG2 THR 60 2HG2 THR 60 1.249 -9.746 -21.479 400 3HG2 THR 60 3HG2 THR 60 2.669 -10.731 -21.120 401 H ILE 61 H ILE 61 1.250 -11.006 -18.773 402 HA ILE 61 HA ILE 61 3.580 -11.989 -17.270 403 HB ILE 61 HB ILE 61 2.170 -13.052 -15.642 404 1HG1 ILE 61 1HG1 ILE 61 -0.405 -12.170 -15.903 405 2HG1 ILE 61 2HG1 ILE 61 0.042 -12.435 -17.584 406 1HG2 ILE 61 1HG2 ILE 61 1.165 -11.132 -14.523 407 2HG2 ILE 61 2HG2 ILE 61 1.285 -10.195 -16.013 408 3HG2 ILE 61 3HG2 ILE 61 2.748 -10.734 -15.190 409 1HD1 ILE 61 1HD1 ILE 61 -0.986 -14.414 -16.656 410 2HD1 ILE 61 2HD1 ILE 61 0.214 -14.452 -15.363 411 3HD1 ILE 61 3HD1 ILE 61 0.710 -14.720 -17.033 412 H THR 62 H THR 62 3.425 -14.457 -17.035 413 HA THR 62 HA THR 62 1.888 -15.769 -19.133 414 HB THR 62 HB THR 62 4.883 -15.620 -19.062 415 HG1 THR 62 HG1 THR 62 3.080 -14.470 -20.501 416 1HG2 THR 62 1HG2 THR 62 3.258 -17.744 -20.460 417 2HG2 THR 62 2HG2 THR 62 4.379 -18.002 -19.122 418 3HG2 THR 62 3HG2 THR 62 4.983 -17.456 -20.686 419 H VAL 63 H VAL 63 0.933 -17.447 -18.195 420 HA VAL 63 HA VAL 63 1.584 -18.611 -15.735 421 HB VAL 63 HB VAL 63 -0.589 -18.765 -17.306 422 1HG1 VAL 63 1HG1 VAL 63 0.403 -20.095 -19.034 423 2HG1 VAL 63 2HG1 VAL 63 -0.855 -21.018 -18.209 424 3HG1 VAL 63 3HG1 VAL 63 0.846 -21.337 -17.863 425 1HG2 VAL 63 1HG2 VAL 63 0.251 -20.925 -15.381 426 2HG2 VAL 63 2HG2 VAL 63 -1.401 -20.599 -15.904 427 3HG2 VAL 63 3HG2 VAL 63 -0.521 -19.395 -14.959 428 H ILE 64 H ILE 64 3.095 -20.092 -15.172 429 HA ILE 64 HA ILE 64 4.514 -21.411 -17.331 430 HB ILE 64 HB ILE 64 6.309 -21.831 -15.797 431 1HG1 ILE 64 1HG1 ILE 64 4.668 -22.102 -13.790 432 2HG1 ILE 64 2HG1 ILE 64 6.285 -21.496 -13.498 433 1HG2 ILE 64 1HG2 ILE 64 6.178 -19.652 -16.871 434 2HG2 ILE 64 2HG2 ILE 64 6.948 -19.548 -15.286 435 3HG2 ILE 64 3HG2 ILE 64 5.274 -19.028 -15.488 436 1HD1 ILE 64 1HD1 ILE 64 5.274 -19.191 -13.580 437 2HD1 ILE 64 2HD1 ILE 64 4.822 -20.202 -12.207 438 3HD1 ILE 64 3HD1 ILE 64 3.698 -19.987 -13.545 439 H LYS 65 H LYS 65 1.803 -22.470 -16.110 440 HA LYS 65 HA LYS 65 2.809 -25.175 -15.923 441 1HB LYS 65 1HB LYS 65 1.079 -23.797 -13.889 442 2HB LYS 65 2HB LYS 65 0.786 -25.486 -14.250 443 1HG LYS 65 1HG LYS 65 2.137 -25.513 -12.361 444 2HG LYS 65 2HG LYS 65 3.250 -25.853 -13.687 445 1HD LYS 65 1HD LYS 65 4.070 -23.637 -13.666 446 2HD LYS 65 2HD LYS 65 2.806 -23.099 -12.561 447 1HE LYS 65 1HE LYS 65 4.864 -23.343 -11.343 448 2HE LYS 65 2HE LYS 65 3.746 -24.609 -10.838 449 1HZ LYS 65 1HZ LYS 65 5.957 -25.487 -11.151 450 2HZ LYS 65 2HZ LYS 65 5.997 -24.927 -12.749 451 3HZ LYS 65 3HZ LYS 65 4.910 -26.154 -12.307 452 H ASP 66 H ASP 66 1.165 -26.678 -16.566 453 HA ASP 66 HA ASP 66 -0.879 -25.588 -18.286 454 1HB ASP 66 1HB ASP 66 -0.351 -28.457 -17.491 455 2HB ASP 66 2HB ASP 66 -1.486 -27.943 -18.734 456 H LEU 67 H LEU 67 -2.467 -24.559 -17.236 457 HA LEU 67 HA LEU 67 -4.028 -26.074 -15.236 458 1HB LEU 67 1HB LEU 67 -3.874 -23.093 -15.719 459 2HB LEU 67 2HB LEU 67 -5.035 -23.851 -14.653 460 HG LEU 67 HG LEU 67 -2.965 -24.761 -13.403 461 1HD1 LEU 67 1HD1 LEU 67 -0.999 -23.319 -13.553 462 2HD1 LEU 67 2HD1 LEU 67 -1.736 -22.457 -14.903 463 3HD1 LEU 67 3HD1 LEU 67 -1.304 -24.158 -15.073 464 1HD2 LEU 67 1HD2 LEU 67 -2.864 -22.715 -12.063 465 2HD2 LEU 67 2HD2 LEU 67 -4.523 -23.125 -12.499 466 3HD2 LEU 67 3HD2 LEU 67 -3.681 -21.833 -13.354 467 H LYS 68 H LYS 68 -6.216 -26.351 -15.628 468 HA LYS 68 HA LYS 68 -7.189 -25.652 -18.256 469 1HB LYS 68 1HB LYS 68 -9.268 -26.850 -17.502 470 2HB LYS 68 2HB LYS 68 -7.802 -27.818 -17.520 471 1HG LYS 68 1HG LYS 68 -7.961 -28.259 -15.347 472 2HG LYS 68 2HG LYS 68 -8.228 -26.562 -14.944 473 1HD LYS 68 1HD LYS 68 -10.385 -28.312 -16.094 474 2HD LYS 68 2HD LYS 68 -10.096 -28.177 -14.359 475 1HE LYS 68 1HE LYS 68 -10.637 -25.843 -16.178 476 2HE LYS 68 2HE LYS 68 -11.879 -26.669 -15.234 477 1HZ LYS 68 1HZ LYS 68 -11.087 -24.706 -14.076 478 2HZ LYS 68 2HZ LYS 68 -9.493 -25.279 -14.123 479 3HZ LYS 68 3HZ LYS 68 -10.662 -26.100 -13.213 480 H VAL 69 H VAL 69 -9.575 -24.870 -18.337 481 HA VAL 69 HA VAL 69 -10.061 -22.753 -16.342 482 HB VAL 69 HB VAL 69 -10.667 -22.555 -19.313 483 1HG1 VAL 69 1HG1 VAL 69 -11.320 -20.263 -18.845 484 2HG1 VAL 69 2HG1 VAL 69 -10.994 -20.507 -17.128 485 3HG1 VAL 69 3HG1 VAL 69 -12.295 -21.400 -17.915 486 1HG2 VAL 69 1HG2 VAL 69 -8.980 -20.872 -19.485 487 2HG2 VAL 69 2HG2 VAL 69 -8.254 -22.334 -18.816 488 3HG2 VAL 69 3HG2 VAL 69 -8.632 -20.974 -17.757 489 H LYS 70 H LYS 70 -12.218 -22.776 -15.568 490 HA LYS 70 HA LYS 70 -13.985 -24.725 -16.854 491 1HB LYS 70 1HB LYS 70 -13.419 -24.824 -14.343 492 2HB LYS 70 2HB LYS 70 -14.429 -23.393 -14.185 493 1HG LYS 70 1HG LYS 70 -15.719 -25.340 -13.641 494 2HG LYS 70 2HG LYS 70 -16.313 -24.660 -15.159 495 1HD LYS 70 1HD LYS 70 -15.135 -26.335 -16.428 496 2HD LYS 70 2HD LYS 70 -14.361 -26.952 -14.968 497 1HE LYS 70 1HE LYS 70 -16.596 -27.553 -14.090 498 2HE LYS 70 2HE LYS 70 -17.305 -27.028 -15.617 499 1HZ LYS 70 1HZ LYS 70 -16.939 -29.443 -15.489 500 2HZ LYS 70 2HZ LYS 70 -15.270 -29.180 -15.357 501 3HZ LYS 70 3HZ LYS 70 -16.089 -28.731 -16.772 502 H GLY 71 H GLY 71 -15.954 -24.067 -17.669 503 1HA GLY 71 1HA GLY 71 -17.711 -22.499 -18.014 504 2HA GLY 71 2HA GLY 71 -16.647 -21.224 -17.434 505 H SER 72 H SER 72 -14.387 -21.945 -18.990 506 HA SER 72 HA SER 72 -15.329 -21.192 -21.669 507 1HB SER 72 1HB SER 72 -12.781 -20.539 -20.185 508 2HB SER 72 2HB SER 72 -12.938 -20.315 -21.925 509 HG SER 72 HG SER 72 -14.763 -19.185 -20.067 510 H SER 73 H SER 73 -14.205 -22.103 -23.483 511 HA SER 73 HA SER 73 -13.436 -24.851 -23.072 512 1HB SER 73 1HB SER 73 -13.315 -23.248 -25.636 513 2HB SER 73 2HB SER 73 -13.380 -25.003 -25.475 514 HG SER 73 HG SER 73 -15.417 -23.136 -24.793 515 H LEU 74 H LEU 74 -11.803 -22.062 -22.651 516 HA LEU 74 HA LEU 74 -9.376 -22.707 -24.030 517 1HB LEU 74 1HB LEU 74 -10.125 -20.564 -22.076 518 2HB LEU 74 2HB LEU 74 -8.487 -20.776 -22.642 519 HG LEU 74 HG LEU 74 -9.261 -19.138 -24.014 520 1HD1 LEU 74 1HD1 LEU 74 -9.899 -21.650 -25.513 521 2HD1 LEU 74 2HD1 LEU 74 -8.329 -20.853 -25.398 522 3HD1 LEU 74 3HD1 LEU 74 -9.664 -20.059 -26.236 523 1HD2 LEU 74 1HD2 LEU 74 -11.897 -20.573 -24.173 524 2HD2 LEU 74 2HD2 LEU 74 -11.503 -19.090 -25.041 525 3HD2 LEU 74 3HD2 LEU 74 -11.555 -19.092 -23.277 526 H VAL 75 H VAL 75 -7.655 -23.636 -23.264 527 HA VAL 75 HA VAL 75 -7.479 -24.191 -20.394 528 HB VAL 75 HB VAL 75 -6.087 -25.558 -22.704 529 1HG1 VAL 75 1HG1 VAL 75 -4.618 -25.483 -20.753 530 2HG1 VAL 75 2HG1 VAL 75 -5.205 -27.122 -21.040 531 3HG1 VAL 75 3HG1 VAL 75 -5.909 -26.146 -19.749 532 1HG2 VAL 75 1HG2 VAL 75 -7.427 -27.495 -22.023 533 2HG2 VAL 75 2HG2 VAL 75 -8.445 -26.131 -22.485 534 3HG2 VAL 75 3HG2 VAL 75 -8.206 -26.515 -20.779 535 H VAL 76 H VAL 76 -5.857 -23.455 -19.208 536 HA VAL 76 HA VAL 76 -4.197 -21.360 -20.310 537 HB VAL 76 HB VAL 76 -4.610 -22.377 -17.486 538 1HG1 VAL 76 1HG1 VAL 76 -3.368 -20.408 -16.749 539 2HG1 VAL 76 2HG1 VAL 76 -2.956 -20.052 -18.429 540 3HG1 VAL 76 3HG1 VAL 76 -2.367 -21.531 -17.667 541 1HG2 VAL 76 1HG2 VAL 76 -5.488 -19.838 -18.853 542 2HG2 VAL 76 2HG2 VAL 76 -5.749 -20.236 -17.154 543 3HG2 VAL 76 3HG2 VAL 76 -6.521 -21.199 -18.414 544 H LYS 77 H LYS 77 -2.508 -22.150 -21.403 545 HA LYS 77 HA LYS 77 -1.087 -24.458 -20.266 546 1HB LYS 77 1HB LYS 77 -0.045 -24.684 -22.573 547 2HB LYS 77 2HB LYS 77 -1.743 -25.084 -22.413 548 1HG LYS 77 1HG LYS 77 -1.492 -23.911 -24.446 549 2HG LYS 77 2HG LYS 77 -2.275 -22.810 -23.317 550 1HD LYS 77 1HD LYS 77 -0.324 -21.533 -23.041 551 2HD LYS 77 2HD LYS 77 0.698 -22.788 -23.744 552 1HE LYS 77 1HE LYS 77 0.307 -20.842 -25.244 553 2HE LYS 77 2HE LYS 77 -0.196 -22.385 -25.927 554 1HZ LYS 77 1HZ LYS 77 -1.812 -20.618 -26.326 555 2HZ LYS 77 2HZ LYS 77 -2.023 -20.409 -24.656 556 3HZ LYS 77 3HZ LYS 77 -2.476 -21.869 -25.394 557 H VAL 78 H VAL 78 1.135 -24.532 -20.124 558 HA VAL 78 HA VAL 78 2.379 -22.297 -19.049 559 HB VAL 78 HB VAL 78 3.268 -24.443 -18.539 560 1HG1 VAL 78 1HG1 VAL 78 3.913 -24.761 -21.469 561 2HG1 VAL 78 2HG1 VAL 78 2.673 -25.632 -20.566 562 3HG1 VAL 78 3HG1 VAL 78 4.378 -25.884 -20.190 563 1HG2 VAL 78 1HG2 VAL 78 5.668 -24.177 -19.019 564 2HG2 VAL 78 2HG2 VAL 78 4.920 -22.664 -18.514 565 3HG2 VAL 78 3HG2 VAL 78 5.281 -22.941 -20.217 566 H GLY 79 H GLY 79 2.233 -20.493 -20.249 567 1HA GLY 79 1HA GLY 79 4.008 -19.269 -21.694 568 2HA GLY 79 2HA GLY 79 3.469 -20.417 -22.915 569 H THR 80 H THR 80 0.966 -19.826 -21.003 570 HA THR 80 HA THR 80 -0.578 -18.344 -22.848 571 HB THR 80 HB THR 80 -1.126 -18.622 -19.885 572 HG1 THR 80 HG1 THR 80 -1.020 -20.624 -21.069 573 1HG2 THR 80 1HG2 THR 80 -3.451 -18.122 -20.492 574 2HG2 THR 80 2HG2 THR 80 -2.958 -17.868 -22.167 575 3HG2 THR 80 3HG2 THR 80 -2.381 -16.782 -20.904 576 H LYS 81 H LYS 81 0.044 -16.412 -23.462 577 HA LYS 81 HA LYS 81 1.200 -14.563 -21.540 578 1HB LYS 81 1HB LYS 81 2.265 -14.663 -23.720 579 2HB LYS 81 2HB LYS 81 0.754 -14.222 -24.510 580 1HG LYS 81 1HG LYS 81 0.794 -12.049 -23.448 581 2HG LYS 81 2HG LYS 81 2.246 -12.486 -22.553 582 1HD LYS 81 1HD LYS 81 2.790 -11.079 -24.452 583 2HD LYS 81 2HD LYS 81 3.475 -12.690 -24.656 584 1HE LYS 81 1HE LYS 81 1.667 -13.291 -26.164 585 2HE LYS 81 2HE LYS 81 0.914 -11.715 -25.914 586 1HZ LYS 81 1HZ LYS 81 2.723 -10.640 -26.983 587 2HZ LYS 81 2HZ LYS 81 2.257 -11.922 -27.995 588 3HZ LYS 81 3HZ LYS 81 3.642 -12.063 -27.030 589 H VAL 82 H VAL 82 -0.039 -13.302 -20.327 590 HA VAL 82 HA VAL 82 -2.398 -12.118 -21.600 591 HB VAL 82 HB VAL 82 -2.189 -12.762 -18.659 592 1HG1 VAL 82 1HG1 VAL 82 -3.689 -10.970 -19.106 593 2HG1 VAL 82 2HG1 VAL 82 -4.651 -12.412 -18.772 594 3HG1 VAL 82 3HG1 VAL 82 -4.443 -11.856 -20.431 595 1HG2 VAL 82 1HG2 VAL 82 -3.626 -14.331 -20.800 596 2HG2 VAL 82 2HG2 VAL 82 -3.733 -14.620 -19.064 597 3HG2 VAL 82 3HG2 VAL 82 -2.201 -14.857 -19.903 598 H LYS 83 H LYS 83 -2.126 -10.034 -21.823 599 HA LYS 83 HA LYS 83 -0.168 -8.671 -20.137 600 1HB LYS 83 1HB LYS 83 -0.053 -7.010 -21.939 601 2HB LYS 83 2HB LYS 83 0.310 -8.631 -22.512 602 1HG LYS 83 1HG LYS 83 -2.118 -8.755 -23.229 603 2HG LYS 83 2HG LYS 83 -2.170 -7.013 -22.950 604 1HD LYS 83 1HD LYS 83 -0.334 -6.704 -24.520 605 2HD LYS 83 2HD LYS 83 -0.271 -8.446 -24.796 606 1HE LYS 83 1HE LYS 83 -2.502 -6.553 -25.476 607 2HE LYS 83 2HE LYS 83 -1.488 -7.470 -26.587 608 1HZ LYS 83 1HZ LYS 83 -3.657 -8.491 -26.355 609 2HZ LYS 83 2HZ LYS 83 -3.454 -8.622 -24.676 610 3HZ LYS 83 3HZ LYS 83 -2.462 -9.514 -25.724 611 H ASN 84 H ASN 84 -0.493 -6.513 -19.528 612 HA ASN 84 HA ASN 84 -1.558 -4.622 -18.881 613 1HB ASN 84 1HB ASN 84 -3.792 -5.623 -20.657 614 2HB ASN 84 2HB ASN 84 -3.681 -4.004 -19.978 615 1HD2 ASN 84 1HD2 ASN 84 -3.820 -4.829 -22.749 616 2HD2 ASN 84 2HD2 ASN 84 -2.396 -4.213 -23.517 617 H ILE 85 H ILE 85 -1.694 -6.946 -17.158 618 HA ILE 85 HA ILE 85 -4.286 -7.522 -16.268 619 HB ILE 85 HB ILE 85 -3.137 -8.530 -14.381 620 1HG1 ILE 85 1HG1 ILE 85 -0.602 -7.283 -15.459 621 2HG1 ILE 85 2HG1 ILE 85 -1.505 -6.620 -14.103 622 1HG2 ILE 85 1HG2 ILE 85 -1.677 -10.060 -15.587 623 2HG2 ILE 85 2HG2 ILE 85 -1.584 -8.931 -16.937 624 3HG2 ILE 85 3HG2 ILE 85 -3.119 -9.708 -16.539 625 1HD1 ILE 85 1HD1 ILE 85 0.375 -7.907 -13.318 626 2HD1 ILE 85 2HD1 ILE 85 -0.181 -9.318 -14.220 627 3HD1 ILE 85 3HD1 ILE 85 -1.132 -8.706 -12.866 628 H ARG 86 H ARG 86 -4.634 -7.319 -13.842 629 HA ARG 86 HA ARG 86 -4.107 -4.610 -12.818 630 1HB ARG 86 1HB ARG 86 -6.389 -4.509 -13.417 631 2HB ARG 86 2HB ARG 86 -6.676 -6.176 -12.954 632 1HG ARG 86 1HG ARG 86 -7.757 -4.770 -11.372 633 2HG ARG 86 2HG ARG 86 -6.366 -5.507 -10.579 634 1HD ARG 86 1HD ARG 86 -6.517 -3.175 -9.980 635 2HD ARG 86 2HD ARG 86 -5.083 -3.446 -10.970 636 HE ARG 86 HE ARG 86 -7.204 -2.698 -12.640 637 1HH1 ARG 86 1HH1 ARG 86 -5.114 -1.350 -10.177 638 2HH1 ARG 86 2HH1 ARG 86 -5.254 0.278 -10.777 639 1HH2 ARG 86 1HH2 ARG 86 -7.357 -0.566 -13.451 640 2HH2 ARG 86 2HH2 ARG 86 -6.518 0.720 -12.630 641 H LEU 87 H LEU 87 -3.166 -4.689 -10.747 642 HA LEU 87 HA LEU 87 -2.962 -7.283 -9.497 643 1HB LEU 87 1HB LEU 87 -1.957 -4.575 -8.600 644 2HB LEU 87 2HB LEU 87 -1.540 -6.116 -7.877 645 HG LEU 87 HG LEU 87 -0.829 -5.280 -10.687 646 1HD1 LEU 87 1HD1 LEU 87 1.453 -5.116 -9.839 647 2HD1 LEU 87 2HD1 LEU 87 0.867 -5.456 -8.211 648 3HD1 LEU 87 3HD1 LEU 87 0.377 -3.975 -9.032 649 1HD2 LEU 87 1HD2 LEU 87 -0.007 -7.690 -9.076 650 2HD2 LEU 87 2HD2 LEU 87 0.593 -7.263 -10.679 651 3HD2 LEU 87 3HD2 LEU 87 -1.103 -7.694 -10.458 652 H VAL 88 H VAL 88 -4.308 -7.972 -7.976 653 HA VAL 88 HA VAL 88 -6.378 -6.131 -7.032 654 HB VAL 88 HB VAL 88 -6.504 -8.953 -6.181 655 1HG1 VAL 88 1HG1 VAL 88 -8.838 -8.711 -6.849 656 2HG1 VAL 88 2HG1 VAL 88 -8.476 -7.136 -7.555 657 3HG1 VAL 88 3HG1 VAL 88 -8.329 -7.377 -5.813 658 1HG2 VAL 88 1HG2 VAL 88 -7.320 -9.690 -8.439 659 2HG2 VAL 88 2HG2 VAL 88 -5.580 -9.428 -8.312 660 3HG2 VAL 88 3HG2 VAL 88 -6.602 -8.218 -9.100 661 H ASP 89 H ASP 89 -6.997 -6.305 -4.670 662 HA ASP 89 HA ASP 89 -4.626 -6.144 -3.053 663 1HB ASP 89 1HB ASP 89 -7.518 -6.107 -2.199 664 2HB ASP 89 2HB ASP 89 -6.147 -5.729 -1.170 665 H GLY 90 H GLY 90 -3.615 -8.008 -2.725 666 1HA GLY 90 1HA GLY 90 -4.363 -9.834 -0.842 667 2HA GLY 90 2HA GLY 90 -5.018 -10.479 -2.337 668 H ASP 91 H ASP 91 -3.567 -12.243 -1.662 669 HA ASP 91 HA ASP 91 -0.745 -11.800 -2.315 670 1HB ASP 91 1HB ASP 91 -0.433 -14.049 -1.268 671 2HB ASP 91 2HB ASP 91 -1.117 -12.848 -0.178 672 H HIS 92 H HIS 92 -3.462 -13.897 -3.092 673 HA HIS 92 HA HIS 92 -2.009 -14.949 -5.416 674 1HB HIS 92 1HB HIS 92 -4.281 -16.118 -3.808 675 2HB HIS 92 2HB HIS 92 -3.785 -16.766 -5.369 676 HD1 HIS 92 HD1 HIS 92 -3.422 -17.639 -2.062 677 HD2 HIS 92 HD2 HIS 92 -0.640 -17.055 -5.094 678 HE1 HIS 92 HE1 HIS 92 -1.388 -18.938 -1.369 679 HE2 HIS 92 HE2 HIS 92 0.213 -18.729 -3.306 680 H ASP 93 H ASP 93 -2.688 -12.726 -6.326 681 HA ASP 93 HA ASP 93 -5.459 -12.720 -7.133 682 1HB ASP 93 1HB ASP 93 -4.303 -10.707 -5.266 683 2HB ASP 93 2HB ASP 93 -5.653 -10.285 -6.313 684 H ILE 94 H ILE 94 -4.871 -12.835 -9.251 685 HA ILE 94 HA ILE 94 -3.836 -10.271 -10.297 686 HB ILE 94 HB ILE 94 -3.430 -12.983 -11.544 687 1HG1 ILE 94 1HG1 ILE 94 -1.351 -11.196 -10.284 688 2HG1 ILE 94 2HG1 ILE 94 -2.164 -12.479 -9.392 689 1HG2 ILE 94 1HG2 ILE 94 -3.577 -11.176 -13.177 690 2HG2 ILE 94 2HG2 ILE 94 -1.928 -11.794 -13.075 691 3HG2 ILE 94 3HG2 ILE 94 -2.348 -10.267 -12.297 692 1HD1 ILE 94 1HD1 ILE 94 -0.468 -12.816 -11.842 693 2HD1 ILE 94 2HD1 ILE 94 -1.312 -14.107 -10.985 694 3HD1 ILE 94 3HD1 ILE 94 -0.019 -13.213 -10.182 695 H ASP 95 H ASP 95 -5.410 -9.206 -11.201 696 HA ASP 95 HA ASP 95 -7.517 -10.633 -12.582 697 1HB ASP 95 1HB ASP 95 -8.056 -8.741 -11.101 698 2HB ASP 95 2HB ASP 95 -7.093 -7.673 -12.110 699 H CYS 96 H CYS 96 -7.696 -10.773 -14.721 700 HA CYS 96 HA CYS 96 -5.892 -9.157 -16.351 701 1HB CYS 96 1HB CYS 96 -5.311 -11.110 -17.713 702 2HB CYS 96 2HB CYS 96 -4.775 -11.301 -16.052 703 HG CYS 96 HG CYS 96 -7.325 -12.798 -15.581 704 H LYS 97 H LYS 97 -6.707 -8.557 -18.295 705 HA LYS 97 HA LYS 97 -9.526 -9.267 -18.721 706 1HB LYS 97 1HB LYS 97 -8.171 -6.700 -19.565 707 2HB LYS 97 2HB LYS 97 -9.898 -7.048 -19.557 708 1HG LYS 97 1HG LYS 97 -9.782 -7.263 -17.084 709 2HG LYS 97 2HG LYS 97 -8.100 -6.740 -17.161 710 1HD LYS 97 1HD LYS 97 -8.884 -4.649 -18.280 711 2HD LYS 97 2HD LYS 97 -10.543 -5.169 -17.969 712 1HE LYS 97 1HE LYS 97 -8.405 -4.519 -15.949 713 2HE LYS 97 2HE LYS 97 -9.917 -3.659 -16.230 714 1HZ LYS 97 1HZ LYS 97 -11.000 -5.884 -15.600 715 2HZ LYS 97 2HZ LYS 97 -10.353 -4.927 -14.364 716 3HZ LYS 97 3HZ LYS 97 -9.492 -6.276 -14.921 717 H ILE 98 H ILE 98 -10.071 -10.110 -20.649 718 HA ILE 98 HA ILE 98 -7.945 -10.252 -22.673 719 HB ILE 98 HB ILE 98 -9.753 -12.546 -21.898 720 1HG1 ILE 98 1HG1 ILE 98 -6.780 -12.525 -21.484 721 2HG1 ILE 98 2HG1 ILE 98 -7.827 -11.776 -20.283 722 1HG2 ILE 98 1HG2 ILE 98 -9.083 -12.500 -24.258 723 2HG2 ILE 98 2HG2 ILE 98 -8.356 -13.860 -23.400 724 3HG2 ILE 98 3HG2 ILE 98 -7.388 -12.432 -23.771 725 1HD1 ILE 98 1HD1 ILE 98 -7.261 -14.070 -19.699 726 2HD1 ILE 98 2HD1 ILE 98 -7.989 -14.635 -21.204 727 3HD1 ILE 98 3HD1 ILE 98 -8.994 -13.875 -19.967 728 H ASP 99 H ASP 99 -8.699 -9.180 -24.364 729 HA ASP 99 HA ASP 99 -11.512 -8.798 -24.803 730 1HB ASP 99 1HB ASP 99 -9.614 -7.186 -25.444 731 2HB ASP 99 2HB ASP 99 -9.355 -8.262 -26.814 732 H GLY 100 H GLY 100 -12.449 -10.738 -25.155 733 1HA GLY 100 1HA GLY 100 -12.771 -11.693 -27.653 734 2HA GLY 100 2HA GLY 100 -11.389 -12.602 -27.066 735 H ILE 101 H ILE 101 -11.822 -13.266 -24.620 736 HA ILE 101 HA ILE 101 -14.396 -14.667 -24.599 737 HB ILE 101 HB ILE 101 -13.405 -16.162 -22.909 738 1HG1 ILE 101 1HG1 ILE 101 -10.808 -14.696 -23.437 739 2HG1 ILE 101 2HG1 ILE 101 -11.779 -14.489 -21.985 740 1HG2 ILE 101 1HG2 ILE 101 -13.283 -16.832 -25.211 741 2HG2 ILE 101 2HG2 ILE 101 -11.767 -17.273 -24.422 742 3HG2 ILE 101 3HG2 ILE 101 -11.838 -15.854 -25.466 743 1HD1 ILE 101 1HD1 ILE 101 -11.447 -16.847 -21.435 744 2HD1 ILE 101 2HD1 ILE 101 -9.915 -15.983 -21.585 745 3HD1 ILE 101 3HD1 ILE 101 -10.463 -17.042 -22.886 746 H GLY 102 H GLY 102 -12.227 -12.761 -22.516 747 1HA GLY 102 1HA GLY 102 -13.791 -10.872 -21.553 748 2HA GLY 102 2HA GLY 102 -14.444 -12.255 -20.683 749 H ALA 103 H ALA 103 -13.777 -11.132 -18.741 750 HA ALA 103 HA ALA 103 -10.919 -10.888 -18.261 751 1HB ALA 103 1HB ALA 103 -12.430 -9.176 -17.393 752 2HB ALA 103 2HB ALA 103 -11.571 -9.991 -16.086 753 3HB ALA 103 3HB ALA 103 -13.256 -10.391 -16.419 754 H MET 104 H MET 104 -9.749 -12.107 -16.781 755 HA MET 104 HA MET 104 -11.074 -14.510 -15.727 756 1HB MET 104 1HB MET 104 -10.024 -15.120 -17.853 757 2HB MET 104 2HB MET 104 -8.492 -14.460 -17.305 758 1HG MET 104 1HG MET 104 -8.549 -16.897 -17.196 759 2HG MET 104 2HG MET 104 -8.317 -16.166 -15.613 760 1HE MET 104 1HE MET 104 -8.905 -18.508 -14.487 761 2HE MET 104 2HE MET 104 -9.155 -19.217 -16.083 762 3HE MET 104 3HE MET 104 -10.380 -19.413 -14.830 763 H LYS 105 H LYS 105 -9.961 -15.516 -13.970 764 HA LYS 105 HA LYS 105 -8.247 -13.674 -12.466 765 1HB LYS 105 1HB LYS 105 -8.797 -15.154 -10.508 766 2HB LYS 105 2HB LYS 105 -10.172 -14.304 -11.193 767 1HG LYS 105 1HG LYS 105 -9.613 -17.063 -12.150 768 2HG LYS 105 2HG LYS 105 -10.303 -16.853 -10.539 769 1HD LYS 105 1HD LYS 105 -12.171 -15.627 -11.454 770 2HD LYS 105 2HD LYS 105 -11.459 -15.677 -13.066 771 1HE LYS 105 1HE LYS 105 -11.673 -18.105 -13.097 772 2HE LYS 105 2HE LYS 105 -12.342 -18.076 -11.466 773 1HZ LYS 105 1HZ LYS 105 -14.249 -16.901 -12.241 774 2HZ LYS 105 2HZ LYS 105 -14.035 -18.249 -13.255 775 3HZ LYS 105 3HZ LYS 105 -13.584 -16.703 -13.788 776 H LEU 106 H LEU 106 -6.269 -14.358 -11.609 777 HA LEU 106 HA LEU 106 -5.266 -16.914 -12.642 778 1HB LEU 106 1HB LEU 106 -3.857 -14.251 -12.774 779 2HB LEU 106 2HB LEU 106 -3.120 -15.792 -13.165 780 HG LEU 106 HG LEU 106 -5.432 -14.531 -14.641 781 1HD1 LEU 106 1HD1 LEU 106 -3.804 -14.235 -16.438 782 2HD1 LEU 106 2HD1 LEU 106 -2.536 -14.870 -15.389 783 3HD1 LEU 106 3HD1 LEU 106 -3.336 -13.352 -14.983 784 1HD2 LEU 106 1HD2 LEU 106 -3.863 -17.045 -15.227 785 2HD2 LEU 106 2HD2 LEU 106 -5.097 -16.331 -16.266 786 3HD2 LEU 106 3HD2 LEU 106 -5.540 -16.972 -14.685 787 H LYS 107 H LYS 107 -4.091 -18.018 -11.345 788 HA LYS 107 HA LYS 107 -3.568 -17.088 -8.663 789 1HB LYS 107 1HB LYS 107 -3.421 -19.746 -10.000 790 2HB LYS 107 2HB LYS 107 -2.465 -19.488 -8.546 791 1HG LYS 107 1HG LYS 107 -4.579 -18.720 -7.424 792 2HG LYS 107 2HG LYS 107 -5.447 -19.297 -8.848 793 1HD LYS 107 1HD LYS 107 -4.948 -21.513 -8.413 794 2HD LYS 107 2HD LYS 107 -3.544 -21.108 -7.421 795 1HE LYS 107 1HE LYS 107 -6.441 -20.692 -6.682 796 2HE LYS 107 2HE LYS 107 -5.367 -21.931 -6.032 797 1HZ LYS 107 1HZ LYS 107 -5.224 -18.998 -5.625 798 2HZ LYS 107 2HZ LYS 107 -3.924 -20.027 -5.257 799 3HZ LYS 107 3HZ LYS 107 -5.406 -20.208 -4.452 800 H SER 108 H SER 108 -1.863 -15.965 -8.218 801 HA SER 108 HA SER 108 0.244 -15.419 -9.898 802 1HB SER 108 1HB SER 108 1.387 -14.745 -7.663 803 2HB SER 108 2HB SER 108 -0.089 -13.915 -8.154 804 HG SER 108 HG SER 108 0.024 -14.707 -5.911 805 H GLU 109 H GLU 109 -0.061 -17.901 -7.450 806 HA GLU 109 HA GLU 109 2.504 -18.916 -7.440 807 1HB GLU 109 1HB GLU 109 1.423 -20.974 -6.575 808 2HB GLU 109 2HB GLU 109 0.839 -19.511 -5.789 809 1HG GLU 109 1HG GLU 109 -1.006 -19.613 -7.626 810 2HG GLU 109 2HG GLU 109 -0.543 -21.309 -7.713 811 H PHE 110 H PHE 110 0.200 -19.061 -10.001 812 HA PHE 110 HA PHE 110 1.727 -21.262 -11.214 813 1HB PHE 110 1HB PHE 110 -1.090 -20.294 -11.573 814 2HB PHE 110 2HB PHE 110 -0.330 -21.338 -12.759 815 HD1 PHE 110 HD1 PHE 110 0.690 -23.541 -11.853 816 HD2 PHE 110 HD2 PHE 110 -2.190 -21.212 -9.764 817 HE1 PHE 110 HE1 PHE 110 0.074 -25.511 -10.516 818 HE2 PHE 110 HE2 PHE 110 -2.813 -23.176 -8.421 819 HZ PHE 110 HZ PHE 110 -1.680 -25.330 -8.797 820 H VAL 111 H VAL 111 1.847 -18.017 -11.244 821 HA VAL 111 HA VAL 111 2.038 -17.876 -14.186 822 HB VAL 111 HB VAL 111 1.481 -15.533 -14.124 823 1HG1 VAL 111 1HG1 VAL 111 -0.841 -15.669 -13.348 824 2HG1 VAL 111 2HG1 VAL 111 -0.464 -17.170 -12.502 825 3HG1 VAL 111 3HG1 VAL 111 -0.368 -17.102 -14.262 826 1HG2 VAL 111 1HG2 VAL 111 2.461 -14.812 -12.090 827 2HG2 VAL 111 2HG2 VAL 111 1.445 -15.896 -11.142 828 3HG2 VAL 111 3HG2 VAL 111 0.728 -14.508 -11.961 829 H ARG 112 H ARG 112 3.428 -16.025 -14.935 830 HA ARG 112 HA ARG 112 5.809 -15.612 -13.306 831 1HB ARG 112 1HB ARG 112 6.667 -17.412 -14.461 832 2HB ARG 112 2HB ARG 112 5.653 -17.128 -15.867 833 1HG ARG 112 1HG ARG 112 7.072 -15.485 -16.710 834 2HG ARG 112 2HG ARG 112 7.887 -15.263 -15.161 835 1HD ARG 112 1HD ARG 112 9.062 -17.287 -15.373 836 2HD ARG 112 2HD ARG 112 8.022 -17.851 -16.679 837 HE ARG 112 HE ARG 112 9.025 -15.790 -17.894 838 1HH1 ARG 112 1HH1 ARG 112 10.720 -17.995 -15.749 839 2HH1 ARG 112 2HH1 ARG 112 12.275 -17.672 -16.450 840 1HH2 ARG 112 1HH2 ARG 112 11.066 -15.422 -18.844 841 2HH2 ARG 112 2HH2 ARG 112 12.469 -16.247 -18.230 842 H LYS 113 H LYS 113 6.771 -13.673 -13.666 843 HA LYS 113 HA LYS 113 5.387 -11.719 -15.168 844 1HB LYS 113 1HB LYS 113 6.791 -11.266 -13.143 845 2HB LYS 113 2HB LYS 113 8.216 -11.549 -14.142 846 1HG LYS 113 1HG LYS 113 7.248 -9.772 -15.695 847 2HG LYS 113 2HG LYS 113 6.197 -9.355 -14.343 848 1HD LYS 113 1HD LYS 113 8.231 -9.068 -12.946 849 2HD LYS 113 2HD LYS 113 9.200 -9.304 -14.406 850 1HE LYS 113 1HE LYS 113 8.973 -6.986 -14.174 851 2HE LYS 113 2HE LYS 113 7.852 -7.441 -15.438 852 1HZ LYS 113 1HZ LYS 113 6.036 -7.144 -14.075 853 2HZ LYS 113 2HZ LYS 113 7.044 -5.857 -13.606 854 3HZ LYS 113 3HZ LYS 113 6.943 -7.246 -12.643 855 H VAL 114 H VAL 114 5.765 -10.870 -17.100 856 HA VAL 114 HA VAL 114 7.929 -12.027 -18.729 857 HB VAL 114 HB VAL 114 5.511 -10.465 -19.669 858 1HG1 VAL 114 1HG1 VAL 114 7.592 -11.989 -21.231 859 2HG1 VAL 114 2HG1 VAL 114 7.439 -10.234 -21.151 860 3HG1 VAL 114 3HG1 VAL 114 6.168 -11.199 -21.904 861 1HG2 VAL 114 1HG2 VAL 114 6.070 -13.422 -19.789 862 2HG2 VAL 114 2HG2 VAL 114 4.694 -12.603 -20.528 863 3HG2 VAL 114 3HG2 VAL 114 4.866 -12.630 -18.773 864 H GLY 115 H GLY 115 6.302 -8.961 -17.960 865 1HA GLY 115 1HA GLY 115 7.140 -6.832 -17.757 866 2HA GLY 115 2HA GLY 115 8.751 -7.537 -17.728 867 H SER 116 H SER 116 6.483 -8.037 -20.333 868 HA SER 116 HA SER 116 7.738 -6.032 -22.003 869 1HB SER 116 1HB SER 116 7.842 -8.973 -22.734 870 2HB SER 116 2HB SER 116 8.386 -7.633 -23.747 871 HG SER 116 HG SER 116 9.515 -7.483 -21.299 Start of MODEL 3 1 H MET 1 H MET 1 2.380 11.226 -2.426 2 HA MET 1 HA MET 1 -0.184 12.658 -2.035 3 1HB MET 1 1HB MET 1 -0.039 13.267 -4.375 4 2HB MET 1 2HB MET 1 1.389 13.847 -3.532 5 1HG MET 1 1HG MET 1 2.754 12.180 -4.485 6 2HG MET 1 2HG MET 1 1.361 11.269 -5.066 7 1HE MET 1 1HE MET 1 -0.227 12.119 -7.074 8 2HE MET 1 2HE MET 1 -0.028 13.698 -7.835 9 3HE MET 1 3HE MET 1 -0.477 13.588 -6.131 10 H VAL 2 H VAL 2 -1.976 11.705 -3.032 11 HA VAL 2 HA VAL 2 -3.329 9.871 -3.200 12 HB VAL 2 HB VAL 2 -1.246 8.646 -4.992 13 1HG1 VAL 2 1HG1 VAL 2 -3.277 7.384 -4.545 14 2HG1 VAL 2 2HG1 VAL 2 -3.210 7.894 -6.233 15 3HG1 VAL 2 3HG1 VAL 2 -4.252 8.746 -5.093 16 1HG2 VAL 2 1HG2 VAL 2 -3.091 10.917 -5.714 17 2HG2 VAL 2 2HG2 VAL 2 -2.067 10.021 -6.837 18 3HG2 VAL 2 3HG2 VAL 2 -1.336 11.010 -5.572 19 H SER 3 H SER 3 -1.780 9.845 -0.976 20 HA SER 3 HA SER 3 -0.529 7.203 -0.829 21 1HB SER 3 1HB SER 3 -0.300 9.536 1.069 22 2HB SER 3 2HB SER 3 0.678 8.071 1.081 23 HG SER 3 HG SER 3 1.956 8.992 -0.302 24 H THR 4 H THR 4 -1.221 5.704 0.626 25 HA THR 4 HA THR 4 -3.652 6.366 2.132 26 HB THR 4 HB THR 4 -4.032 3.896 2.157 27 HG1 THR 4 HG1 THR 4 -2.734 2.687 0.611 28 1HG2 THR 4 1HG2 THR 4 -5.127 5.255 0.485 29 2HG2 THR 4 2HG2 THR 4 -4.609 3.739 -0.256 30 3HG2 THR 4 3HG2 THR 4 -3.686 5.220 -0.532 31 H LEU 5 H LEU 5 -0.965 6.998 2.996 32 HA LEU 5 HA LEU 5 0.039 5.140 4.857 33 1HB LEU 5 1HB LEU 5 0.341 8.121 5.184 34 2HB LEU 5 2HB LEU 5 1.455 6.844 5.631 35 HG LEU 5 HG LEU 5 0.803 7.501 2.766 36 1HD1 LEU 5 1HD1 LEU 5 2.931 8.708 2.723 37 2HD1 LEU 5 2HD1 LEU 5 3.093 8.478 4.464 38 3HD1 LEU 5 3HD1 LEU 5 1.775 9.459 3.823 39 1HD2 LEU 5 1HD2 LEU 5 1.697 5.265 3.148 40 2HD2 LEU 5 2HD2 LEU 5 3.054 5.948 4.043 41 3HD2 LEU 5 3HD2 LEU 5 2.878 6.280 2.320 42 HA PRO 6 HA PRO 6 -2.788 5.560 8.217 43 1HB PRO 6 1HB PRO 6 -1.136 4.896 10.269 44 2HB PRO 6 2HB PRO 6 -1.756 3.699 9.123 45 1HG PRO 6 1HG PRO 6 0.896 5.085 9.165 46 2HG PRO 6 2HG PRO 6 0.543 3.372 8.886 47 1HD PRO 6 1HD PRO 6 1.045 5.073 6.859 48 2HD PRO 6 2HD PRO 6 -0.106 3.735 6.691 49 HA PRO 7 HA PRO 7 -2.034 9.531 10.081 50 1HB PRO 7 1HB PRO 7 -3.442 8.684 12.496 51 2HB PRO 7 2HB PRO 7 -3.929 9.868 11.282 52 1HG PRO 7 1HG PRO 7 -5.166 7.476 11.582 53 2HG PRO 7 2HG PRO 7 -5.050 8.317 10.026 54 1HD PRO 7 1HD PRO 7 -3.443 6.014 11.063 55 2HD PRO 7 2HD PRO 7 -4.070 6.306 9.427 56 H CYS 8 H CYS 8 -1.708 10.227 12.622 57 HA CYS 8 HA CYS 8 0.779 8.898 13.382 58 1HB CYS 8 1HB CYS 8 1.032 11.244 13.074 59 2HB CYS 8 2HB CYS 8 -0.426 11.595 13.985 60 HA PRO 9 HA PRO 9 -1.460 7.044 16.786 61 1HB PRO 9 1HB PRO 9 0.657 5.936 18.053 62 2HB PRO 9 2HB PRO 9 0.006 5.268 16.550 63 1HG PRO 9 1HG PRO 9 2.381 7.048 16.959 64 2HG PRO 9 2HG PRO 9 2.225 5.612 15.930 65 1HD PRO 9 1HD PRO 9 2.045 8.140 14.958 66 2HD PRO 9 2HD PRO 9 1.157 6.775 14.252 67 H GLN 10 H GLN 10 0.198 9.760 16.764 68 HA GLN 10 HA GLN 10 0.192 10.102 19.676 69 1HB GLN 10 1HB GLN 10 1.954 11.504 17.664 70 2HB GLN 10 2HB GLN 10 2.019 11.676 19.416 71 1HG GLN 10 1HG GLN 10 2.888 9.535 19.716 72 2HG GLN 10 2HG GLN 10 2.388 9.013 18.107 73 1HE2 GLN 10 1HE2 GLN 10 3.795 12.101 18.487 74 2HE2 GLN 10 2HE2 GLN 10 5.335 11.730 17.818 75 H CYS 11 H CYS 11 -0.492 11.700 16.476 76 HA CYS 11 HA CYS 11 -2.067 13.692 17.922 77 1HB CYS 11 1HB CYS 11 -1.251 13.614 15.006 78 2HB CYS 11 2HB CYS 11 -1.982 14.964 15.856 79 H ASN 12 H ASN 12 -2.014 11.576 15.111 80 HA ASN 12 HA ASN 12 -3.551 10.460 13.907 81 1HB ASN 12 1HB ASN 12 -4.374 9.782 16.186 82 2HB ASN 12 2HB ASN 12 -5.550 11.085 16.085 83 1HD2 ASN 12 1HD2 ASN 12 -4.575 7.996 14.812 84 2HD2 ASN 12 2HD2 ASN 12 -6.065 7.634 14.010 85 H SER 13 H SER 13 -3.560 13.652 14.383 86 HA SER 13 HA SER 13 -5.977 14.573 13.359 87 1HB SER 13 1HB SER 13 -3.287 15.853 12.897 88 2HB SER 13 2HB SER 13 -4.860 16.650 12.880 89 HG SER 13 HG SER 13 -3.441 16.690 14.887 90 H GLU 14 H GLU 14 -3.029 14.806 11.300 91 HA GLU 14 HA GLU 14 -3.876 13.034 9.307 92 1HB GLU 14 1HB GLU 14 -4.814 14.470 7.592 93 2HB GLU 14 2HB GLU 14 -5.797 14.533 9.047 94 1HG GLU 14 1HG GLU 14 -4.775 16.675 9.640 95 2HG GLU 14 2HG GLU 14 -3.802 16.611 8.170 96 H TYR 15 H TYR 15 -1.760 15.514 10.351 97 HA TYR 15 HA TYR 15 -0.654 16.041 7.731 98 1HB TYR 15 1HB TYR 15 0.176 17.014 10.468 99 2HB TYR 15 2HB TYR 15 0.928 17.526 8.960 100 HD1 TYR 15 HD1 TYR 15 -0.962 18.850 11.311 101 HD2 TYR 15 HD2 TYR 15 -1.340 17.915 7.179 102 HE1 TYR 15 HE1 TYR 15 -2.672 20.602 11.077 103 HE2 TYR 15 HE2 TYR 15 -3.049 19.665 6.932 104 HH TYR 15 HH TYR 15 -4.732 20.815 8.481 105 H THR 16 H THR 16 -0.469 13.338 8.668 106 HA THR 16 HA THR 16 2.387 12.926 9.086 107 HB THR 16 HB THR 16 0.346 10.752 8.666 108 HG1 THR 16 HG1 THR 16 0.448 12.607 10.696 109 1HG2 THR 16 1HG2 THR 16 2.713 10.132 8.811 110 2HG2 THR 16 2HG2 THR 16 1.816 9.539 10.210 111 3HG2 THR 16 3HG2 THR 16 2.836 10.970 10.358 112 H TYR 17 H TYR 17 3.743 12.049 7.456 113 HA TYR 17 HA TYR 17 2.603 11.683 4.813 114 1HB TYR 17 1HB TYR 17 3.794 13.436 3.750 115 2HB TYR 17 2HB TYR 17 3.073 14.176 5.171 116 HD1 TYR 17 HD1 TYR 17 4.526 14.874 7.089 117 HD2 TYR 17 HD2 TYR 17 6.165 13.224 3.513 118 HE1 TYR 17 HE1 TYR 17 6.748 15.709 7.720 119 HE2 TYR 17 HE2 TYR 17 8.387 14.047 4.143 120 HH TYR 17 HH TYR 17 9.080 15.254 7.269 121 H GLU 18 H GLU 18 4.489 11.106 3.211 122 HA GLU 18 HA GLU 18 6.216 9.237 4.619 123 1HB GLU 18 1HB GLU 18 6.526 8.337 2.271 124 2HB GLU 18 2HB GLU 18 4.889 8.242 2.906 125 1HG GLU 18 1HG GLU 18 4.296 10.273 1.656 126 2HG GLU 18 2HG GLU 18 5.929 10.339 1.007 127 H ASP 19 H ASP 19 8.282 9.949 5.045 128 HA ASP 19 HA ASP 19 9.642 11.323 2.851 129 1HB ASP 19 1HB ASP 19 9.435 12.786 4.806 130 2HB ASP 19 2HB ASP 19 10.177 11.553 5.818 131 H GLY 20 H GLY 20 10.201 9.263 1.963 132 1HA GLY 20 1HA GLY 20 12.127 7.988 1.542 133 2HA GLY 20 2HA GLY 20 12.650 8.291 3.190 134 H ALA 21 H ALA 21 12.441 6.717 4.626 135 HA ALA 21 HA ALA 21 11.047 4.280 3.715 136 1HB ALA 21 1HB ALA 21 12.699 3.018 4.977 137 2HB ALA 21 2HB ALA 21 13.443 4.520 5.524 138 3HB ALA 21 3HB ALA 21 13.483 4.088 3.814 139 H LEU 22 H LEU 22 10.111 6.596 5.492 140 HA LEU 22 HA LEU 22 8.755 4.924 7.388 141 1HB LEU 22 1HB LEU 22 9.478 5.876 9.388 142 2HB LEU 22 2HB LEU 22 10.956 5.572 8.496 143 HG LEU 22 HG LEU 22 9.609 8.271 8.621 144 1HD1 LEU 22 1HD1 LEU 22 10.243 7.652 10.849 145 2HD1 LEU 22 2HD1 LEU 22 11.389 8.845 10.229 146 3HD1 LEU 22 3HD1 LEU 22 11.839 7.142 10.291 147 1HD2 LEU 22 1HD2 LEU 22 11.811 9.090 7.889 148 2HD2 LEU 22 2HD2 LEU 22 11.071 8.014 6.704 149 3HD2 LEU 22 3HD2 LEU 22 12.369 7.423 7.743 150 H LEU 23 H LEU 23 7.517 6.598 8.959 151 HA LEU 23 HA LEU 23 6.355 8.667 7.229 152 1HB LEU 23 1HB LEU 23 5.126 7.441 9.694 153 2HB LEU 23 2HB LEU 23 4.344 8.497 8.533 154 HG LEU 23 HG LEU 23 5.255 5.664 8.040 155 1HD1 LEU 23 1HD1 LEU 23 2.512 6.886 8.237 156 2HD1 LEU 23 2HD1 LEU 23 3.268 5.813 9.415 157 3HD1 LEU 23 3HD1 LEU 23 2.867 5.213 7.805 158 1HD2 LEU 23 1HD2 LEU 23 5.541 7.019 6.041 159 2HD2 LEU 23 2HD2 LEU 23 3.882 7.604 6.185 160 3HD2 LEU 23 3HD2 LEU 23 4.191 5.899 5.853 161 H VAL 24 H VAL 24 6.492 10.759 7.870 162 HA VAL 24 HA VAL 24 7.750 11.291 10.466 163 HB VAL 24 HB VAL 24 7.909 12.905 7.912 164 1HG1 VAL 24 1HG1 VAL 24 9.667 14.167 9.127 165 2HG1 VAL 24 2HG1 VAL 24 9.222 13.290 10.591 166 3HG1 VAL 24 3HG1 VAL 24 8.051 14.347 9.807 167 1HG2 VAL 24 1HG2 VAL 24 9.137 10.849 7.683 168 2HG2 VAL 24 2HG2 VAL 24 9.964 11.133 9.216 169 3HG2 VAL 24 3HG2 VAL 24 10.262 12.200 7.842 170 H CYS 25 H CYS 25 6.488 12.487 11.850 171 HA CYS 25 HA CYS 25 4.173 13.835 10.669 172 1HB CYS 25 1HB CYS 25 3.804 12.105 12.450 173 2HB CYS 25 2HB CYS 25 4.721 13.120 13.559 174 HA PRO 26 HA PRO 26 6.650 17.535 11.672 175 1HB PRO 26 1HB PRO 26 5.166 19.195 10.104 176 2HB PRO 26 2HB PRO 26 6.501 18.220 9.477 177 1HG PRO 26 1HG PRO 26 3.557 17.698 9.372 178 2HG PRO 26 2HG PRO 26 4.783 17.461 8.112 179 1HD PRO 26 1HD PRO 26 3.821 15.420 9.609 180 2HD PRO 26 2HD PRO 26 5.485 15.452 8.994 181 H GLU 27 H GLU 27 3.493 16.515 11.917 182 HA GLU 27 HA GLU 27 2.097 18.702 12.958 183 1HB GLU 27 1HB GLU 27 1.297 16.552 11.873 184 2HB GLU 27 2HB GLU 27 1.593 15.768 13.408 185 1HG GLU 27 1HG GLU 27 -0.130 16.997 14.458 186 2HG GLU 27 2HG GLU 27 -0.313 18.052 13.051 187 H CYS 28 H CYS 28 3.650 15.882 14.670 188 HA CYS 28 HA CYS 28 3.811 17.655 17.009 189 1HB CYS 28 1HB CYS 28 4.096 15.580 18.347 190 2HB CYS 28 2HB CYS 28 2.545 15.673 17.521 191 H ALA 29 H ALA 29 5.762 17.065 14.554 192 HA ALA 29 HA ALA 29 7.982 16.978 14.220 193 1HB ALA 29 1HB ALA 29 8.136 17.929 17.076 194 2HB ALA 29 2HB ALA 29 7.882 18.957 15.666 195 3HB ALA 29 3HB ALA 29 9.398 18.074 15.852 196 H HIS 30 H HIS 30 7.003 14.490 14.710 197 HA HIS 30 HA HIS 30 9.333 13.231 15.941 198 1HB HIS 30 1HB HIS 30 7.505 13.332 17.669 199 2HB HIS 30 2HB HIS 30 6.527 12.325 16.608 200 HD1 HIS 30 HD1 HIS 30 6.740 9.865 16.976 201 HD2 HIS 30 HD2 HIS 30 10.001 11.966 18.474 202 HE1 HIS 30 HE1 HIS 30 8.174 8.156 18.125 203 HE2 HIS 30 HE2 HIS 30 10.162 9.437 18.994 204 H GLU 31 H GLU 31 10.069 11.581 14.779 205 HA GLU 31 HA GLU 31 8.576 10.759 12.406 206 1HB GLU 31 1HB GLU 31 11.396 10.072 13.287 207 2HB GLU 31 2HB GLU 31 10.682 9.684 11.733 208 1HG GLU 31 1HG GLU 31 11.983 11.517 11.249 209 2HG GLU 31 2HG GLU 31 10.391 12.230 11.482 210 H TRP 32 H TRP 32 8.006 8.576 11.996 211 HA TRP 32 HA TRP 32 8.598 6.606 14.046 212 1HB TRP 32 1HB TRP 32 6.518 6.327 14.930 213 2HB TRP 32 2HB TRP 32 6.385 8.027 14.508 214 HD1 TRP 32 HD1 TRP 32 5.350 8.258 11.757 215 HE1 TRP 32 HE1 TRP 32 3.186 7.131 10.904 216 HE3 TRP 32 HE3 TRP 32 4.946 4.543 15.236 217 HZ2 TRP 32 HZ2 TRP 32 1.541 4.961 11.618 218 HZ3 TRP 32 HZ3 TRP 32 3.048 2.985 15.085 219 HH2 TRP 32 HH2 TRP 32 1.380 3.190 13.313 220 H SER 33 H SER 33 7.913 4.463 13.442 221 HA SER 33 HA SER 33 7.475 4.162 10.553 222 1HB SER 33 1HB SER 33 9.690 3.344 11.073 223 2HB SER 33 2HB SER 33 9.078 2.409 12.436 224 HG SER 33 HG SER 33 9.479 1.368 10.218 225 HA PRO 34 HA PRO 34 3.578 2.478 11.883 226 1HB PRO 34 1HB PRO 34 3.042 1.155 9.511 227 2HB PRO 34 2HB PRO 34 2.679 2.853 9.824 228 1HG PRO 34 1HG PRO 34 4.995 1.645 8.378 229 2HG PRO 34 2HG PRO 34 4.072 3.110 7.993 230 1HD PRO 34 1HD PRO 34 6.494 3.238 9.141 231 2HD PRO 34 2HD PRO 34 5.206 4.385 9.566 232 H ASN 35 H ASN 35 6.251 0.678 10.631 233 HA ASN 35 HA ASN 35 5.096 -1.848 11.545 234 1HB ASN 35 1HB ASN 35 7.520 -1.266 9.828 235 2HB ASN 35 2HB ASN 35 7.043 -2.880 10.338 236 1HD2 ASN 35 1HD2 ASN 35 6.892 -3.443 8.131 237 2HD2 ASN 35 2HD2 ASN 35 5.525 -2.981 7.187 238 H GLU 36 H GLU 36 8.157 -0.039 11.736 239 HA GLU 36 HA GLU 36 9.354 -1.872 13.534 240 1HB GLU 36 1HB GLU 36 10.577 -0.375 11.958 241 2HB GLU 36 2HB GLU 36 10.172 0.982 12.997 242 1HG GLU 36 1HG GLU 36 11.461 0.052 14.799 243 2HG GLU 36 2HG GLU 36 11.757 -1.420 13.874 244 H ALA 37 H ALA 37 7.218 0.763 14.045 245 HA ALA 37 HA ALA 37 7.948 1.513 16.656 246 1HB ALA 37 1HB ALA 37 6.408 2.849 15.363 247 2HB ALA 37 2HB ALA 37 5.614 2.316 16.847 248 3HB ALA 37 3HB ALA 37 5.248 1.519 15.313 249 H ALA 38 H ALA 38 5.437 -0.761 15.564 250 HA ALA 38 HA ALA 38 5.096 -1.757 18.260 251 1HB ALA 38 1HB ALA 38 3.141 -1.419 16.824 252 2HB ALA 38 2HB ALA 38 3.299 -3.103 17.321 253 3HB ALA 38 3HB ALA 38 3.770 -2.617 15.692 254 H THR 39 H THR 39 6.272 -2.947 15.142 255 HA THR 39 HA THR 39 7.112 -5.441 16.469 256 HB THR 39 HB THR 39 6.521 -5.068 13.531 257 HG1 THR 39 HG1 THR 39 4.489 -6.116 14.079 258 1HG2 THR 39 1HG2 THR 39 6.727 -7.545 15.244 259 2HG2 THR 39 2HG2 THR 39 7.916 -7.003 14.059 260 3HG2 THR 39 3HG2 THR 39 6.312 -7.512 13.530 261 H ALA 40 H ALA 40 9.099 -6.397 15.723 262 HA ALA 40 HA ALA 40 11.163 -4.447 15.278 263 1HB ALA 40 1HB ALA 40 11.514 -6.363 16.764 264 2HB ALA 40 2HB ALA 40 12.698 -6.335 15.456 265 3HB ALA 40 3HB ALA 40 11.339 -7.457 15.391 266 H SER 41 H SER 41 12.512 -4.247 13.484 267 HA SER 41 HA SER 41 11.275 -4.939 10.971 268 1HB SER 41 1HB SER 41 13.849 -3.462 11.566 269 2HB SER 41 2HB SER 41 13.093 -3.593 9.978 270 HG SER 41 HG SER 41 12.644 -1.750 11.755 271 H ASP 42 H ASP 42 12.827 -6.856 12.899 272 HA ASP 42 HA ASP 42 14.474 -8.128 10.821 273 1HB ASP 42 1HB ASP 42 15.730 -7.786 12.849 274 2HB ASP 42 2HB ASP 42 14.450 -8.502 13.820 275 H ASP 43 H ASP 43 14.057 -10.207 10.190 276 HA ASP 43 HA ASP 43 12.025 -11.781 11.492 277 1HB ASP 43 1HB ASP 43 10.671 -10.219 10.086 278 2HB ASP 43 2HB ASP 43 11.494 -10.848 8.661 279 H GLY 44 H GLY 44 13.000 -11.706 8.082 280 1HA GLY 44 1HA GLY 44 14.998 -13.086 7.468 281 2HA GLY 44 2HA GLY 44 14.318 -14.310 8.528 282 H LYS 45 H LYS 45 11.561 -13.764 7.650 283 HA LYS 45 HA LYS 45 11.651 -15.461 5.295 284 1HB LYS 45 1HB LYS 45 9.302 -14.410 6.878 285 2HB LYS 45 2HB LYS 45 9.214 -15.617 5.601 286 1HG LYS 45 1HG LYS 45 10.364 -17.215 6.887 287 2HG LYS 45 2HG LYS 45 10.892 -16.005 8.057 288 1HD LYS 45 1HD LYS 45 8.078 -16.993 7.617 289 2HD LYS 45 2HD LYS 45 9.108 -17.306 9.017 290 1HE LYS 45 1HE LYS 45 9.194 -14.779 9.305 291 2HE LYS 45 2HE LYS 45 7.861 -14.715 8.154 292 1HZ LYS 45 1HZ LYS 45 6.628 -16.226 9.675 293 2HZ LYS 45 2HZ LYS 45 6.965 -14.707 10.343 294 3HZ LYS 45 3HZ LYS 45 7.882 -16.057 10.803 295 H VAL 46 H VAL 46 11.725 -14.650 3.349 296 HA VAL 46 HA VAL 46 10.375 -12.108 2.764 297 HB VAL 46 HB VAL 46 13.065 -12.826 1.591 298 1HG1 VAL 46 1HG1 VAL 46 11.646 -11.248 0.345 299 2HG1 VAL 46 2HG1 VAL 46 13.136 -10.510 0.932 300 3HG1 VAL 46 3HG1 VAL 46 11.613 -10.196 1.760 301 1HG2 VAL 46 1HG2 VAL 46 12.516 -11.031 3.954 302 2HG2 VAL 46 2HG2 VAL 46 14.068 -11.200 3.132 303 3HG2 VAL 46 3HG2 VAL 46 13.371 -12.573 3.992 304 H ILE 47 H ILE 47 9.686 -11.881 0.554 305 HA ILE 47 HA ILE 47 9.082 -14.505 -0.622 306 HB ILE 47 HB ILE 47 7.659 -12.028 -1.493 307 1HG1 ILE 47 1HG1 ILE 47 7.751 -11.817 0.956 308 2HG1 ILE 47 2HG1 ILE 47 6.116 -12.157 0.402 309 1HG2 ILE 47 1HG2 ILE 47 6.916 -14.921 -1.096 310 2HG2 ILE 47 2HG2 ILE 47 6.972 -14.008 -2.603 311 3HG2 ILE 47 3HG2 ILE 47 5.706 -13.677 -1.412 312 1HD1 ILE 47 1HD1 ILE 47 8.026 -14.142 1.606 313 2HD1 ILE 47 2HD1 ILE 47 6.394 -14.497 1.039 314 3HD1 ILE 47 3HD1 ILE 47 6.636 -13.408 2.405 315 H LYS 48 H LYS 48 9.495 -14.978 -2.722 316 HA LYS 48 HA LYS 48 11.143 -13.077 -4.232 317 1HB LYS 48 1HB LYS 48 11.133 -16.032 -3.978 318 2HB LYS 48 2HB LYS 48 11.530 -15.369 -5.552 319 1HG LYS 48 1HG LYS 48 13.615 -15.153 -4.847 320 2HG LYS 48 2HG LYS 48 13.048 -13.891 -3.751 321 1HD LYS 48 1HD LYS 48 13.009 -16.823 -3.059 322 2HD LYS 48 2HD LYS 48 14.346 -15.744 -2.654 323 1HE LYS 48 1HE LYS 48 13.014 -14.451 -1.221 324 2HE LYS 48 2HE LYS 48 11.519 -15.130 -1.864 325 1HZ LYS 48 1HZ LYS 48 12.001 -17.216 -0.828 326 2HZ LYS 48 2HZ LYS 48 12.127 -15.995 0.342 327 3HZ LYS 48 3HZ LYS 48 13.533 -16.678 -0.323 328 H ASP 49 H ASP 49 11.005 -13.712 -6.700 329 HA ASP 49 HA ASP 49 8.154 -13.878 -7.438 330 1HB ASP 49 1HB ASP 49 10.385 -12.319 -8.727 331 2HB ASP 49 2HB ASP 49 8.805 -12.526 -9.453 332 H SER 50 H SER 50 8.022 -14.339 -9.899 333 HA SER 50 HA SER 50 9.262 -16.886 -10.432 334 1HB SER 50 1HB SER 50 6.946 -16.133 -11.181 335 2HB SER 50 2HB SER 50 7.756 -15.145 -12.398 336 HG SER 50 HG SER 50 7.088 -17.663 -12.592 337 H VAL 51 H VAL 51 10.267 -13.829 -10.586 338 HA VAL 51 HA VAL 51 11.939 -13.993 -12.984 339 HB VAL 51 HB VAL 51 11.898 -11.738 -11.000 340 1HG1 VAL 51 1HG1 VAL 51 13.642 -11.648 -12.657 341 2HG1 VAL 51 2HG1 VAL 51 12.445 -10.389 -12.974 342 3HG1 VAL 51 3HG1 VAL 51 12.463 -11.857 -13.952 343 1HG2 VAL 51 1HG2 VAL 51 10.086 -10.726 -12.235 344 2HG2 VAL 51 2HG2 VAL 51 9.598 -12.288 -11.580 345 3HG2 VAL 51 3HG2 VAL 51 9.994 -12.135 -13.293 346 H GLY 52 H GLY 52 12.048 -14.594 -9.699 347 1HA GLY 52 1HA GLY 52 13.794 -15.661 -8.553 348 2HA GLY 52 2HA GLY 52 14.910 -15.120 -9.799 349 H ASN 53 H ASN 53 13.128 -12.472 -9.068 350 HA ASN 53 HA ASN 53 15.252 -11.503 -7.339 351 1HB ASN 53 1HB ASN 53 13.822 -9.280 -7.579 352 2HB ASN 53 2HB ASN 53 14.973 -9.791 -8.805 353 1HD2 ASN 53 1HD2 ASN 53 11.739 -11.129 -8.260 354 2HD2 ASN 53 2HD2 ASN 53 11.085 -10.571 -9.761 355 H VAL 54 H VAL 54 14.687 -10.062 -5.564 356 HA VAL 54 HA VAL 54 12.627 -11.373 -3.903 357 HB VAL 54 HB VAL 54 15.191 -10.155 -2.868 358 1HG1 VAL 54 1HG1 VAL 54 14.686 -11.459 -0.863 359 2HG1 VAL 54 2HG1 VAL 54 13.191 -12.021 -1.613 360 3HG1 VAL 54 3HG1 VAL 54 13.404 -10.310 -1.243 361 1HG2 VAL 54 1HG2 VAL 54 16.060 -12.430 -2.642 362 2HG2 VAL 54 2HG2 VAL 54 15.765 -12.012 -4.330 363 3HG2 VAL 54 3HG2 VAL 54 14.633 -13.053 -3.469 364 H LEU 55 H LEU 55 11.266 -10.026 -2.658 365 HA LEU 55 HA LEU 55 11.299 -7.264 -3.623 366 1HB LEU 55 1HB LEU 55 9.123 -9.129 -2.691 367 2HB LEU 55 2HB LEU 55 8.853 -7.409 -2.870 368 HG LEU 55 HG LEU 55 9.066 -7.507 -5.221 369 1HD1 LEU 55 1HD1 LEU 55 10.997 -8.812 -5.547 370 2HD1 LEU 55 2HD1 LEU 55 9.668 -9.644 -6.372 371 3HD1 LEU 55 3HD1 LEU 55 10.243 -10.229 -4.810 372 1HD2 LEU 55 1HD2 LEU 55 6.947 -8.366 -4.545 373 2HD2 LEU 55 2HD2 LEU 55 7.638 -9.959 -4.237 374 3HD2 LEU 55 3HD2 LEU 55 7.534 -9.352 -5.891 375 H GLN 56 H GLN 56 9.857 -5.884 -2.008 376 HA GLN 56 HA GLN 56 10.669 -6.438 0.762 377 1HB GLN 56 1HB GLN 56 12.089 -4.641 -0.351 378 2HB GLN 56 2HB GLN 56 10.627 -3.669 -0.450 379 1HG GLN 56 1HG GLN 56 10.463 -4.058 2.092 380 2HG GLN 56 2HG GLN 56 12.157 -4.527 1.970 381 1HE2 GLN 56 1HE2 GLN 56 9.876 -1.942 1.803 382 2HE2 GLN 56 2HE2 GLN 56 11.030 -0.653 1.751 383 H ASP 57 H ASP 57 9.242 -5.501 2.328 384 HA ASP 57 HA ASP 57 6.524 -5.310 1.473 385 1HB ASP 57 1HB ASP 57 6.025 -4.779 3.846 386 2HB ASP 57 2HB ASP 57 6.920 -6.271 3.639 387 H GLY 58 H GLY 58 5.287 -3.540 1.219 388 1HA GLY 58 1HA GLY 58 4.845 -1.264 0.897 389 2HA GLY 58 2HA GLY 58 6.470 -0.896 1.454 390 H ASP 59 H ASP 59 7.133 -3.185 -0.653 391 HA ASP 59 HA ASP 59 7.987 -1.385 -2.694 392 1HB ASP 59 1HB ASP 59 9.111 -3.556 -1.921 393 2HB ASP 59 2HB ASP 59 7.900 -4.392 -2.886 394 H THR 60 H THR 60 7.555 -1.940 -5.074 395 HA THR 60 HA THR 60 4.667 -2.339 -5.440 396 HB THR 60 HB THR 60 6.564 -1.186 -7.488 397 HG1 THR 60 HG1 THR 60 6.796 0.410 -6.089 398 1HG2 THR 60 1HG2 THR 60 4.340 -1.884 -8.260 399 2HG2 THR 60 2HG2 THR 60 4.535 -0.134 -8.355 400 3HG2 THR 60 3HG2 THR 60 3.593 -0.845 -7.043 401 H ILE 61 H ILE 61 3.971 -4.002 -6.770 402 HA ILE 61 HA ILE 61 6.081 -5.621 -8.030 403 HB ILE 61 HB ILE 61 5.034 -7.667 -7.402 404 1HG1 ILE 61 1HG1 ILE 61 2.981 -7.355 -5.704 405 2HG1 ILE 61 2HG1 ILE 61 2.732 -5.912 -6.677 406 1HG2 ILE 61 1HG2 ILE 61 5.144 -7.600 -4.970 407 2HG2 ILE 61 2HG2 ILE 61 5.086 -5.836 -5.013 408 3HG2 ILE 61 3HG2 ILE 61 6.461 -6.693 -5.712 409 1HD1 ILE 61 1HD1 ILE 61 2.656 -7.308 -8.688 410 2HD1 ILE 61 2HD1 ILE 61 1.400 -7.730 -7.521 411 3HD1 ILE 61 3HD1 ILE 61 2.835 -8.744 -7.679 412 H THR 62 H THR 62 5.147 -7.096 -9.762 413 HA THR 62 HA THR 62 2.655 -6.181 -10.940 414 HB THR 62 HB THR 62 5.387 -5.838 -12.114 415 HG1 THR 62 HG1 THR 62 3.670 -4.211 -11.115 416 1HG2 THR 62 1HG2 THR 62 4.360 -5.492 -14.339 417 2HG2 THR 62 2HG2 THR 62 2.837 -6.115 -13.704 418 3HG2 THR 62 3HG2 THR 62 4.255 -7.163 -13.787 419 H VAL 63 H VAL 63 1.563 -7.997 -11.338 420 HA VAL 63 HA VAL 63 2.638 -10.592 -11.485 421 HB VAL 63 HB VAL 63 0.131 -9.694 -11.150 422 1HG1 VAL 63 1HG1 VAL 63 -0.176 -8.842 -13.365 423 2HG1 VAL 63 2HG1 VAL 63 -1.250 -10.217 -13.100 424 3HG1 VAL 63 3HG1 VAL 63 0.220 -10.415 -14.058 425 1HG2 VAL 63 1HG2 VAL 63 -0.679 -11.956 -11.513 426 2HG2 VAL 63 2HG2 VAL 63 0.901 -11.982 -10.727 427 3HG2 VAL 63 3HG2 VAL 63 0.765 -12.334 -12.451 428 H ILE 64 H ILE 64 3.638 -11.626 -13.144 429 HA ILE 64 HA ILE 64 3.579 -10.344 -15.737 430 HB ILE 64 HB ILE 64 5.445 -11.717 -16.360 431 1HG1 ILE 64 1HG1 ILE 64 4.542 -13.712 -14.885 432 2HG1 ILE 64 2HG1 ILE 64 6.261 -13.560 -15.223 433 1HG2 ILE 64 1HG2 ILE 64 7.079 -10.985 -14.674 434 2HG2 ILE 64 2HG2 ILE 64 5.741 -10.588 -13.594 435 3HG2 ILE 64 3HG2 ILE 64 5.930 -9.720 -15.118 436 1HD1 ILE 64 1HD1 ILE 64 4.817 -12.832 -12.697 437 2HD1 ILE 64 2HD1 ILE 64 6.505 -12.440 -13.017 438 3HD1 ILE 64 3HD1 ILE 64 5.990 -14.125 -12.941 439 H LYS 65 H LYS 65 1.252 -12.225 -14.658 440 HA LYS 65 HA LYS 65 1.211 -13.855 -17.046 441 1HB LYS 65 1HB LYS 65 1.328 -14.765 -14.263 442 2HB LYS 65 2HB LYS 65 -0.099 -15.349 -15.099 443 1HG LYS 65 1HG LYS 65 1.554 -17.010 -15.296 444 2HG LYS 65 2HG LYS 65 1.422 -16.239 -16.875 445 1HD LYS 65 1HD LYS 65 3.438 -15.020 -16.528 446 2HD LYS 65 2HD LYS 65 3.504 -15.502 -14.830 447 1HE LYS 65 1HE LYS 65 5.074 -16.783 -16.232 448 2HE LYS 65 2HE LYS 65 3.866 -17.807 -15.459 449 1HZ LYS 65 1HZ LYS 65 3.880 -16.899 -18.288 450 2HZ LYS 65 2HZ LYS 65 2.604 -17.754 -17.566 451 3HZ LYS 65 3HZ LYS 65 4.127 -18.480 -17.723 452 H ASP 66 H ASP 66 -0.974 -14.251 -17.717 453 HA ASP 66 HA ASP 66 -2.944 -12.514 -16.531 454 1HB ASP 66 1HB ASP 66 -4.485 -13.233 -18.270 455 2HB ASP 66 2HB ASP 66 -2.933 -12.797 -18.964 456 H LEU 67 H LEU 67 -3.710 -12.985 -14.667 457 HA LEU 67 HA LEU 67 -4.776 -15.692 -14.147 458 1HB LEU 67 1HB LEU 67 -3.935 -13.729 -12.021 459 2HB LEU 67 2HB LEU 67 -4.280 -15.435 -11.837 460 HG LEU 67 HG LEU 67 -1.849 -14.202 -13.122 461 1HD1 LEU 67 1HD1 LEU 67 -1.849 -14.166 -10.692 462 2HD1 LEU 67 2HD1 LEU 67 -0.672 -15.333 -11.295 463 3HD1 LEU 67 3HD1 LEU 67 -2.217 -15.890 -10.650 464 1HD2 LEU 67 1HD2 LEU 67 -2.663 -17.097 -12.919 465 2HD2 LEU 67 2HD2 LEU 67 -1.065 -16.524 -13.401 466 3HD2 LEU 67 3HD2 LEU 67 -2.473 -16.148 -14.396 467 H LYS 68 H LYS 68 -6.879 -15.760 -13.313 468 HA LYS 68 HA LYS 68 -8.387 -13.310 -13.379 469 1HB LYS 68 1HB LYS 68 -10.342 -14.685 -12.898 470 2HB LYS 68 2HB LYS 68 -9.400 -15.375 -14.212 471 1HG LYS 68 1HG LYS 68 -8.747 -17.191 -12.976 472 2HG LYS 68 2HG LYS 68 -8.904 -16.338 -11.440 473 1HD LYS 68 1HD LYS 68 -10.648 -18.022 -11.669 474 2HD LYS 68 2HD LYS 68 -11.341 -16.401 -11.652 475 1HE LYS 68 1HE LYS 68 -12.463 -17.621 -13.348 476 2HE LYS 68 2HE LYS 68 -11.376 -16.493 -14.156 477 1HZ LYS 68 1HZ LYS 68 -10.854 -19.383 -13.700 478 2HZ LYS 68 2HZ LYS 68 -9.804 -18.300 -14.484 479 3HZ LYS 68 3HZ LYS 68 -11.304 -18.671 -15.173 480 H VAL 69 H VAL 69 -10.069 -13.022 -11.563 481 HA VAL 69 HA VAL 69 -8.849 -13.446 -8.902 482 HB VAL 69 HB VAL 69 -10.612 -11.124 -9.755 483 1HG1 VAL 69 1HG1 VAL 69 -9.270 -11.659 -7.111 484 2HG1 VAL 69 2HG1 VAL 69 -10.995 -11.809 -7.448 485 3HG1 VAL 69 3HG1 VAL 69 -10.216 -10.229 -7.529 486 1HG2 VAL 69 1HG2 VAL 69 -8.693 -9.691 -9.412 487 2HG2 VAL 69 2HG2 VAL 69 -8.340 -10.909 -10.638 488 3HG2 VAL 69 3HG2 VAL 69 -7.695 -11.090 -9.005 489 H LYS 70 H LYS 70 -10.225 -14.614 -7.509 490 HA LYS 70 HA LYS 70 -12.732 -15.438 -8.703 491 1HB LYS 70 1HB LYS 70 -11.026 -17.046 -7.787 492 2HB LYS 70 2HB LYS 70 -11.371 -16.406 -6.188 493 1HG LYS 70 1HG LYS 70 -12.583 -18.424 -6.449 494 2HG LYS 70 2HG LYS 70 -13.741 -17.093 -6.504 495 1HD LYS 70 1HD LYS 70 -13.901 -17.242 -8.885 496 2HD LYS 70 2HD LYS 70 -12.568 -18.398 -8.954 497 1HE LYS 70 1HE LYS 70 -15.267 -18.852 -7.679 498 2HE LYS 70 2HE LYS 70 -14.704 -19.540 -9.202 499 1HZ LYS 70 1HZ LYS 70 -13.544 -20.053 -6.514 500 2HZ LYS 70 2HZ LYS 70 -12.945 -20.681 -7.970 501 3HZ LYS 70 3HZ LYS 70 -14.483 -21.136 -7.419 502 H GLY 71 H GLY 71 -14.480 -14.275 -8.230 503 1HA GLY 71 1HA GLY 71 -16.131 -13.814 -6.488 504 2HA GLY 71 2HA GLY 71 -14.800 -13.339 -5.441 505 H SER 72 H SER 72 -13.542 -12.021 -7.834 506 HA SER 72 HA SER 72 -15.242 -9.626 -7.915 507 1HB SER 72 1HB SER 72 -12.224 -9.820 -8.115 508 2HB SER 72 2HB SER 72 -13.166 -8.335 -8.200 509 HG SER 72 HG SER 72 -13.739 -9.816 -5.979 510 H SER 73 H SER 73 -15.153 -8.413 -9.932 511 HA SER 73 HA SER 73 -15.040 -10.192 -12.218 512 1HB SER 73 1HB SER 73 -15.933 -8.071 -13.384 513 2HB SER 73 2HB SER 73 -16.976 -8.854 -12.197 514 HG SER 73 HG SER 73 -16.471 -6.399 -12.152 515 H LEU 74 H LEU 74 -12.745 -8.602 -10.651 516 HA LEU 74 HA LEU 74 -11.434 -7.307 -12.865 517 1HB LEU 74 1HB LEU 74 -10.734 -7.757 -9.988 518 2HB LEU 74 2HB LEU 74 -9.531 -7.195 -11.125 519 HG LEU 74 HG LEU 74 -11.143 -5.291 -11.659 520 1HD1 LEU 74 1HD1 LEU 74 -12.366 -6.225 -9.071 521 2HD1 LEU 74 2HD1 LEU 74 -13.130 -6.278 -10.660 522 3HD1 LEU 74 3HD1 LEU 74 -12.744 -4.724 -9.918 523 1HD2 LEU 74 1HD2 LEU 74 -9.088 -5.013 -10.395 524 2HD2 LEU 74 2HD2 LEU 74 -9.925 -5.477 -8.912 525 3HD2 LEU 74 3HD2 LEU 74 -10.372 -3.990 -9.748 526 H VAL 75 H VAL 75 -9.944 -8.163 -14.114 527 HA VAL 75 HA VAL 75 -8.896 -10.820 -13.509 528 HB VAL 75 HB VAL 75 -8.731 -9.262 -16.100 529 1HG1 VAL 75 1HG1 VAL 75 -8.052 -11.398 -17.090 530 2HG1 VAL 75 2HG1 VAL 75 -8.084 -12.147 -15.494 531 3HG1 VAL 75 3HG1 VAL 75 -6.913 -10.876 -15.847 532 1HG2 VAL 75 1HG2 VAL 75 -10.562 -11.521 -15.298 533 2HG2 VAL 75 2HG2 VAL 75 -10.435 -10.836 -16.918 534 3HG2 VAL 75 3HG2 VAL 75 -11.033 -9.845 -15.586 535 H VAL 76 H VAL 76 -6.811 -11.168 -13.090 536 HA VAL 76 HA VAL 76 -5.057 -8.889 -12.704 537 HB VAL 76 HB VAL 76 -4.776 -11.826 -12.013 538 1HG1 VAL 76 1HG1 VAL 76 -2.835 -9.594 -11.483 539 2HG1 VAL 76 2HG1 VAL 76 -2.582 -10.978 -12.547 540 3HG1 VAL 76 3HG1 VAL 76 -2.742 -11.221 -10.808 541 1HG2 VAL 76 1HG2 VAL 76 -4.889 -11.018 -9.711 542 2HG2 VAL 76 2HG2 VAL 76 -6.333 -10.579 -10.625 543 3HG2 VAL 76 3HG2 VAL 76 -5.091 -9.369 -10.304 544 H LYS 77 H LYS 77 -4.160 -8.198 -14.507 545 HA LYS 77 HA LYS 77 -3.366 -10.165 -16.544 546 1HB LYS 77 1HB LYS 77 -3.297 -8.148 -18.107 547 2HB LYS 77 2HB LYS 77 -4.868 -8.717 -17.579 548 1HG LYS 77 1HG LYS 77 -4.948 -6.366 -17.526 549 2HG LYS 77 2HG LYS 77 -4.829 -6.888 -15.848 550 1HD LYS 77 1HD LYS 77 -2.580 -6.228 -15.693 551 2HD LYS 77 2HD LYS 77 -2.406 -6.112 -17.444 552 1HE LYS 77 1HE LYS 77 -2.532 -3.902 -16.379 553 2HE LYS 77 2HE LYS 77 -3.868 -4.180 -17.494 554 1HZ LYS 77 1HZ LYS 77 -4.016 -4.451 -14.534 555 2HZ LYS 77 2HZ LYS 77 -5.302 -4.665 -15.618 556 3HZ LYS 77 3HZ LYS 77 -4.593 -3.136 -15.433 557 H VAL 78 H VAL 78 -1.387 -10.092 -17.563 558 HA VAL 78 HA VAL 78 0.873 -9.648 -16.041 559 HB VAL 78 HB VAL 78 1.080 -11.026 -17.959 560 1HG1 VAL 78 1HG1 VAL 78 0.391 -8.635 -19.663 561 2HG1 VAL 78 2HG1 VAL 78 -0.642 -10.032 -19.359 562 3HG1 VAL 78 3HG1 VAL 78 0.861 -10.226 -20.261 563 1HG2 VAL 78 1HG2 VAL 78 2.669 -8.507 -18.432 564 2HG2 VAL 78 2HG2 VAL 78 3.022 -10.085 -19.137 565 3HG2 VAL 78 3HG2 VAL 78 3.123 -9.857 -17.392 566 H GLY 79 H GLY 79 0.963 -7.712 -15.026 567 1HA GLY 79 1HA GLY 79 2.342 -5.582 -15.484 568 2HA GLY 79 2HA GLY 79 1.054 -5.253 -16.639 569 H THR 80 H THR 80 -0.217 -6.928 -14.189 570 HA THR 80 HA THR 80 -1.737 -4.836 -13.055 571 HB THR 80 HB THR 80 -1.153 -7.522 -11.782 572 HG1 THR 80 HG1 THR 80 -2.224 -7.567 -13.869 573 1HG2 THR 80 1HG2 THR 80 -3.343 -5.516 -11.223 574 2HG2 THR 80 2HG2 THR 80 -1.977 -5.872 -10.166 575 3HG2 THR 80 3HG2 THR 80 -3.192 -7.112 -10.484 576 H LYS 81 H LYS 81 -0.782 -3.202 -12.147 577 HA LYS 81 HA LYS 81 1.626 -3.624 -10.570 578 1HB LYS 81 1HB LYS 81 1.719 -1.810 -12.161 579 2HB LYS 81 2HB LYS 81 0.299 -1.056 -11.445 580 1HG LYS 81 1HG LYS 81 1.536 -0.709 -9.365 581 2HG LYS 81 2HG LYS 81 2.959 -1.455 -10.090 582 1HD LYS 81 1HD LYS 81 3.054 1.000 -10.107 583 2HD LYS 81 2HD LYS 81 3.092 0.310 -11.730 584 1HE LYS 81 1HE LYS 81 0.776 0.851 -12.069 585 2HE LYS 81 2HE LYS 81 0.609 1.372 -10.392 586 1HZ LYS 81 1HZ LYS 81 0.843 3.240 -11.928 587 2HZ LYS 81 2HZ LYS 81 2.370 2.663 -12.408 588 3HZ LYS 81 3HZ LYS 81 2.121 3.179 -10.813 589 H VAL 82 H VAL 82 1.409 -4.136 -8.511 590 HA VAL 82 HA VAL 82 -0.567 -2.625 -6.946 591 HB VAL 82 HB VAL 82 0.547 -5.366 -6.296 592 1HG1 VAL 82 1HG1 VAL 82 -1.620 -3.736 -4.975 593 2HG1 VAL 82 2HG1 VAL 82 -0.020 -4.080 -4.316 594 3HG1 VAL 82 3HG1 VAL 82 -1.179 -5.389 -4.548 595 1HG2 VAL 82 1HG2 VAL 82 -0.939 -5.487 -8.222 596 2HG2 VAL 82 2HG2 VAL 82 -2.183 -4.608 -7.333 597 3HG2 VAL 82 3HG2 VAL 82 -1.694 -6.218 -6.806 598 H LYS 83 H LYS 83 0.362 -1.177 -5.731 599 HA LYS 83 HA LYS 83 3.194 -1.447 -5.051 600 1HB LYS 83 1HB LYS 83 3.079 1.009 -4.627 601 2HB LYS 83 2HB LYS 83 2.682 0.563 -6.281 602 1HG LYS 83 1HG LYS 83 0.280 0.717 -5.693 603 2HG LYS 83 2HG LYS 83 0.753 1.298 -4.095 604 1HD LYS 83 1HD LYS 83 1.708 3.277 -5.003 605 2HD LYS 83 2HD LYS 83 1.599 2.652 -6.652 606 1HE LYS 83 1HE LYS 83 -0.818 2.702 -6.539 607 2HE LYS 83 2HE LYS 83 -0.753 3.241 -4.864 608 1HZ LYS 83 1HZ LYS 83 -1.192 5.057 -6.422 609 2HZ LYS 83 2HZ LYS 83 0.294 4.776 -7.191 610 3HZ LYS 83 3HZ LYS 83 0.258 5.300 -5.575 611 H ASN 84 H ASN 84 3.944 -1.099 -2.989 612 HA ASN 84 HA ASN 84 3.986 -0.969 -0.745 613 1HB ASN 84 1HB ASN 84 1.199 0.109 -1.129 614 2HB ASN 84 2HB ASN 84 1.936 -0.072 0.460 615 1HD2 ASN 84 1HD2 ASN 84 1.940 1.694 -2.516 616 2HD2 ASN 84 2HD2 ASN 84 2.986 2.967 -1.998 617 H ILE 85 H ILE 85 3.604 -3.513 -1.853 618 HA ILE 85 HA ILE 85 1.560 -5.019 -0.681 619 HB ILE 85 HB ILE 85 3.035 -6.879 -1.184 620 1HG1 ILE 85 1HG1 ILE 85 5.173 -4.813 -1.771 621 2HG1 ILE 85 2HG1 ILE 85 5.118 -5.782 -0.305 622 1HG2 ILE 85 1HG2 ILE 85 3.210 -4.712 -3.277 623 2HG2 ILE 85 2HG2 ILE 85 1.868 -5.834 -3.046 624 3HG2 ILE 85 3HG2 ILE 85 3.442 -6.436 -3.565 625 1HD1 ILE 85 1HD1 ILE 85 5.382 -7.806 -1.637 626 2HD1 ILE 85 2HD1 ILE 85 6.709 -6.673 -1.904 627 3HD1 ILE 85 3HD1 ILE 85 5.429 -6.832 -3.107 628 H ARG 86 H ARG 86 2.398 -6.914 0.726 629 HA ARG 86 HA ARG 86 4.190 -6.067 2.893 630 1HB ARG 86 1HB ARG 86 1.955 -5.795 3.784 631 2HB ARG 86 2HB ARG 86 1.458 -7.349 3.147 632 1HG ARG 86 1HG ARG 86 1.784 -7.470 5.535 633 2HG ARG 86 2HG ARG 86 2.972 -8.471 4.700 634 1HD ARG 86 1HD ARG 86 4.653 -6.740 4.983 635 2HD ARG 86 2HD ARG 86 3.470 -5.694 5.768 636 HE ARG 86 HE ARG 86 3.404 -7.929 7.285 637 1HH1 ARG 86 1HH1 ARG 86 6.018 -5.817 6.234 638 2HH1 ARG 86 2HH1 ARG 86 7.025 -6.196 7.592 639 1HH2 ARG 86 1HH2 ARG 86 4.741 -8.413 9.065 640 2HH2 ARG 86 2HH2 ARG 86 6.308 -7.657 9.196 641 H LEU 87 H LEU 87 5.770 -7.670 3.246 642 HA LEU 87 HA LEU 87 5.464 -10.147 1.816 643 1HB LEU 87 1HB LEU 87 7.639 -9.290 3.728 644 2HB LEU 87 2HB LEU 87 7.708 -10.615 2.584 645 HG LEU 87 HG LEU 87 7.602 -7.684 1.873 646 1HD1 LEU 87 1HD1 LEU 87 9.837 -9.697 1.729 647 2HD1 LEU 87 2HD1 LEU 87 9.733 -8.325 2.833 648 3HD1 LEU 87 3HD1 LEU 87 9.899 -8.052 1.099 649 1HD2 LEU 87 1HD2 LEU 87 8.013 -8.439 -0.417 650 2HD2 LEU 87 2HD2 LEU 87 6.481 -9.057 0.200 651 3HD2 LEU 87 3HD2 LEU 87 7.889 -10.116 0.113 652 H VAL 88 H VAL 88 4.604 -11.905 2.705 653 HA VAL 88 HA VAL 88 4.060 -11.802 5.581 654 HB VAL 88 HB VAL 88 2.617 -13.950 4.468 655 1HG1 VAL 88 1HG1 VAL 88 1.769 -11.166 5.274 656 2HG1 VAL 88 2HG1 VAL 88 1.904 -12.573 6.331 657 3HG1 VAL 88 3HG1 VAL 88 0.680 -12.539 5.062 658 1HG2 VAL 88 1HG2 VAL 88 2.984 -12.997 2.243 659 2HG2 VAL 88 2HG2 VAL 88 2.349 -11.443 2.802 660 3HG2 VAL 88 3HG2 VAL 88 1.290 -12.853 2.723 661 H ASP 89 H ASP 89 3.745 -14.261 6.387 662 HA ASP 89 HA ASP 89 6.467 -15.169 6.362 663 1HB ASP 89 1HB ASP 89 5.530 -16.895 7.999 664 2HB ASP 89 2HB ASP 89 5.591 -15.208 8.483 665 H GLY 90 H GLY 90 6.827 -15.996 4.375 666 1HA GLY 90 1HA GLY 90 6.719 -18.726 4.103 667 2HA GLY 90 2HA GLY 90 5.319 -18.105 3.229 668 H ASP 91 H ASP 91 6.801 -19.240 1.505 669 HA ASP 91 HA ASP 91 8.692 -17.260 0.435 670 1HB ASP 91 1HB ASP 91 9.505 -19.586 0.643 671 2HB ASP 91 2HB ASP 91 8.224 -20.119 -0.440 672 H HIS 92 H HIS 92 5.643 -18.749 -0.114 673 HA HIS 92 HA HIS 92 5.382 -17.479 -2.754 674 1HB HIS 92 1HB HIS 92 3.854 -19.822 -1.595 675 2HB HIS 92 2HB HIS 92 3.584 -19.119 -3.186 676 HD1 HIS 92 HD1 HIS 92 5.504 -21.687 -1.484 677 HD2 HIS 92 HD2 HIS 92 5.961 -19.383 -4.919 678 HE1 HIS 92 HE1 HIS 92 7.256 -22.855 -2.862 679 HE2 HIS 92 HE2 HIS 92 7.669 -21.328 -4.821 680 H ASP 93 H ASP 93 5.002 -15.528 -1.200 681 HA ASP 93 HA ASP 93 2.318 -15.500 -0.125 682 1HB ASP 93 1HB ASP 93 4.728 -15.494 1.661 683 2HB ASP 93 2HB ASP 93 3.145 -14.941 2.194 684 H ILE 94 H ILE 94 1.888 -13.664 -1.381 685 HA ILE 94 HA ILE 94 3.229 -11.256 -0.307 686 HB ILE 94 HB ILE 94 2.160 -11.539 -3.101 687 1HG1 ILE 94 1HG1 ILE 94 5.034 -11.535 -2.163 688 2HG1 ILE 94 2HG1 ILE 94 4.137 -12.997 -2.558 689 1HG2 ILE 94 1HG2 ILE 94 2.153 -9.249 -2.279 690 2HG2 ILE 94 2HG2 ILE 94 3.414 -9.453 -3.494 691 3HG2 ILE 94 3HG2 ILE 94 3.839 -9.403 -1.783 692 1HD1 ILE 94 1HD1 ILE 94 4.780 -10.749 -4.432 693 2HD1 ILE 94 2HD1 ILE 94 3.858 -12.201 -4.832 694 3HD1 ILE 94 3HD1 ILE 94 5.558 -12.332 -4.375 695 H ASP 95 H ASP 95 1.913 -10.236 0.943 696 HA ASP 95 HA ASP 95 -0.920 -10.267 0.429 697 1HB ASP 95 1HB ASP 95 -0.163 -10.781 2.687 698 2HB ASP 95 2HB ASP 95 0.732 -9.270 2.762 699 H CYS 96 H CYS 96 -2.031 -8.498 -0.170 700 HA CYS 96 HA CYS 96 -0.599 -5.969 -0.320 701 1HB CYS 96 1HB CYS 96 -1.868 -7.164 -2.756 702 2HB CYS 96 2HB CYS 96 -0.900 -5.710 -2.673 703 HG CYS 96 HG CYS 96 1.054 -7.940 -1.549 704 H LYS 97 H LYS 97 -1.938 -4.177 -0.519 705 HA LYS 97 HA LYS 97 -4.720 -4.725 0.252 706 1HB LYS 97 1HB LYS 97 -3.422 -3.604 1.982 707 2HB LYS 97 2HB LYS 97 -2.926 -2.361 0.846 708 1HG LYS 97 1HG LYS 97 -5.118 -1.448 0.756 709 2HG LYS 97 2HG LYS 97 -5.794 -2.830 1.625 710 1HD LYS 97 1HD LYS 97 -4.531 -2.221 3.614 711 2HD LYS 97 2HD LYS 97 -3.787 -0.875 2.751 712 1HE LYS 97 1HE LYS 97 -6.765 -1.086 3.026 713 2HE LYS 97 2HE LYS 97 -5.779 -0.405 4.318 714 1HZ LYS 97 1HZ LYS 97 -6.037 0.604 1.536 715 2HZ LYS 97 2HZ LYS 97 -4.883 1.173 2.640 716 3HZ LYS 97 3HZ LYS 97 -6.534 1.370 2.966 717 H ILE 98 H ILE 98 -6.340 -3.956 -0.997 718 HA ILE 98 HA ILE 98 -5.645 -2.048 -3.110 719 HB ILE 98 HB ILE 98 -7.381 -4.483 -3.536 720 1HG1 ILE 98 1HG1 ILE 98 -4.814 -3.983 -4.990 721 2HG1 ILE 98 2HG1 ILE 98 -4.750 -4.668 -3.368 722 1HG2 ILE 98 1HG2 ILE 98 -7.499 -3.745 -5.838 723 2HG2 ILE 98 2HG2 ILE 98 -6.421 -2.392 -5.490 724 3HG2 ILE 98 3HG2 ILE 98 -8.033 -2.437 -4.776 725 1HD1 ILE 98 1HD1 ILE 98 -6.243 -5.823 -5.705 726 2HD1 ILE 98 2HD1 ILE 98 -6.157 -6.505 -4.079 727 3HD1 ILE 98 3HD1 ILE 98 -4.700 -6.393 -5.067 728 H ASP 99 H ASP 99 -6.790 -0.328 -2.603 729 HA ASP 99 HA ASP 99 -9.154 -0.550 -1.000 730 1HB ASP 99 1HB ASP 99 -7.633 1.766 -2.144 731 2HB ASP 99 2HB ASP 99 -9.187 1.992 -1.339 732 H GLY 100 H GLY 100 -10.738 -1.475 -2.035 733 1HA GLY 100 1HA GLY 100 -12.512 -0.194 -3.662 734 2HA GLY 100 2HA GLY 100 -11.388 -0.967 -4.777 735 H ILE 101 H ILE 101 -10.881 -3.313 -4.132 736 HA ILE 101 HA ILE 101 -13.411 -4.648 -3.524 737 HB ILE 101 HB ILE 101 -12.207 -6.733 -4.299 738 1HG1 ILE 101 1HG1 ILE 101 -10.178 -4.703 -5.268 739 2HG1 ILE 101 2HG1 ILE 101 -9.899 -5.929 -4.036 740 1HG2 ILE 101 1HG2 ILE 101 -13.802 -5.581 -5.701 741 2HG2 ILE 101 2HG2 ILE 101 -12.459 -6.170 -6.681 742 3HG2 ILE 101 3HG2 ILE 101 -12.554 -4.462 -6.250 743 1HD1 ILE 101 1HD1 ILE 101 -10.237 -7.679 -5.705 744 2HD1 ILE 101 2HD1 ILE 101 -8.933 -6.583 -6.162 745 3HD1 ILE 101 3HD1 ILE 101 -10.511 -6.448 -6.939 746 H GLY 102 H GLY 102 -9.982 -4.653 -2.556 747 1HA GLY 102 1HA GLY 102 -10.106 -4.452 0.069 748 2HA GLY 102 2HA GLY 102 -10.681 -6.104 -0.123 749 H ALA 103 H ALA 103 -8.791 -6.707 1.137 750 HA ALA 103 HA ALA 103 -6.192 -6.401 -0.072 751 1HB ALA 103 1HB ALA 103 -6.437 -6.510 2.361 752 2HB ALA 103 2HB ALA 103 -5.406 -7.809 1.762 753 3HB ALA 103 3HB ALA 103 -7.074 -8.150 2.226 754 H MET 104 H MET 104 -4.963 -8.037 -1.053 755 HA MET 104 HA MET 104 -6.411 -10.487 -1.781 756 1HB MET 104 1HB MET 104 -6.684 -8.799 -3.599 757 2HB MET 104 2HB MET 104 -4.937 -8.745 -3.768 758 1HG MET 104 1HG MET 104 -4.871 -11.019 -4.496 759 2HG MET 104 2HG MET 104 -6.583 -11.235 -4.139 760 1HE MET 104 1HE MET 104 -3.947 -9.484 -6.471 761 2HE MET 104 2HE MET 104 -4.856 -8.114 -5.833 762 3HE MET 104 3HE MET 104 -4.988 -8.542 -7.539 763 H LYS 105 H LYS 105 -5.028 -12.201 -2.488 764 HA LYS 105 HA LYS 105 -2.279 -11.897 -1.504 765 1HB LYS 105 1HB LYS 105 -2.396 -14.450 -1.223 766 2HB LYS 105 2HB LYS 105 -3.239 -13.449 -0.054 767 1HG LYS 105 1HG LYS 105 -4.708 -15.201 -0.514 768 2HG LYS 105 2HG LYS 105 -5.327 -13.846 -1.456 769 1HD LYS 105 1HD LYS 105 -4.314 -14.732 -3.462 770 2HD LYS 105 2HD LYS 105 -3.567 -16.041 -2.542 771 1HE LYS 105 1HE LYS 105 -5.839 -16.821 -1.917 772 2HE LYS 105 2HE LYS 105 -6.515 -15.577 -2.968 773 1HZ LYS 105 1HZ LYS 105 -4.711 -17.768 -3.852 774 2HZ LYS 105 2HZ LYS 105 -5.436 -16.602 -4.854 775 3HZ LYS 105 3HZ LYS 105 -6.398 -17.748 -4.053 776 H LEU 106 H LEU 106 -0.598 -12.750 -2.710 777 HA LEU 106 HA LEU 106 -1.307 -13.320 -5.506 778 1HB LEU 106 1HB LEU 106 0.944 -11.572 -4.519 779 2HB LEU 106 2HB LEU 106 0.604 -11.955 -6.196 780 HG LEU 106 HG LEU 106 -1.192 -10.376 -4.350 781 1HD1 LEU 106 1HD1 LEU 106 0.817 -9.167 -4.992 782 2HD1 LEU 106 2HD1 LEU 106 -0.608 -8.491 -5.785 783 3HD1 LEU 106 3HD1 LEU 106 0.500 -9.522 -6.691 784 1HD2 LEU 106 1HD2 LEU 106 -1.486 -10.992 -7.295 785 2HD2 LEU 106 2HD2 LEU 106 -2.536 -9.950 -6.334 786 3HD2 LEU 106 3HD2 LEU 106 -2.460 -11.677 -5.994 787 H LYS 107 H LYS 107 -0.222 -14.790 -6.523 788 HA LYS 107 HA LYS 107 1.481 -16.602 -5.113 789 1HB LYS 107 1HB LYS 107 0.658 -16.468 -8.020 790 2HB LYS 107 2HB LYS 107 1.625 -17.763 -7.334 791 1HG LYS 107 1HG LYS 107 -0.886 -17.263 -5.918 792 2HG LYS 107 2HG LYS 107 -1.081 -17.789 -7.589 793 1HD LYS 107 1HD LYS 107 -1.063 -19.730 -6.178 794 2HD LYS 107 2HD LYS 107 0.439 -19.700 -7.102 795 1HE LYS 107 1HE LYS 107 1.572 -18.702 -5.139 796 2HE LYS 107 2HE LYS 107 0.071 -18.863 -4.228 797 1HZ LYS 107 1HZ LYS 107 0.197 -21.301 -4.767 798 2HZ LYS 107 2HZ LYS 107 1.369 -20.727 -3.687 799 3HZ LYS 107 3HZ LYS 107 1.784 -21.029 -5.303 800 H SER 108 H SER 108 3.491 -16.198 -4.746 801 HA SER 108 HA SER 108 5.193 -14.348 -5.777 802 1HB SER 108 1HB SER 108 5.974 -15.502 -3.923 803 2HB SER 108 2HB SER 108 5.558 -17.075 -4.592 804 HG SER 108 HG SER 108 7.697 -15.388 -5.403 805 H GLU 109 H GLU 109 4.591 -17.595 -7.015 806 HA GLU 109 HA GLU 109 6.525 -17.610 -9.012 807 1HB GLU 109 1HB GLU 109 3.924 -19.129 -8.935 808 2HB GLU 109 2HB GLU 109 5.410 -19.607 -9.751 809 1HG GLU 109 1HG GLU 109 6.448 -20.197 -7.808 810 2HG GLU 109 2HG GLU 109 5.464 -19.135 -6.816 811 H PHE 110 H PHE 110 3.521 -15.950 -8.918 812 HA PHE 110 HA PHE 110 3.583 -15.778 -11.850 813 1HB PHE 110 1HB PHE 110 1.360 -15.508 -9.858 814 2HB PHE 110 2HB PHE 110 1.193 -14.911 -11.500 815 HD1 PHE 110 HD1 PHE 110 2.088 -16.751 -13.296 816 HD2 PHE 110 HD2 PHE 110 0.441 -17.563 -9.463 817 HE1 PHE 110 HE1 PHE 110 1.443 -19.000 -14.055 818 HE2 PHE 110 HE2 PHE 110 -0.206 -19.814 -10.212 819 HZ PHE 110 HZ PHE 110 0.295 -20.536 -12.511 820 H VAL 111 H VAL 111 4.783 -14.047 -9.388 821 HA VAL 111 HA VAL 111 3.865 -11.483 -10.540 822 HB VAL 111 HB VAL 111 4.352 -10.396 -8.408 823 1HG1 VAL 111 1HG1 VAL 111 2.542 -12.800 -8.176 824 2HG1 VAL 111 2HG1 VAL 111 2.101 -11.203 -8.782 825 3HG1 VAL 111 3HG1 VAL 111 2.535 -11.413 -7.085 826 1HG2 VAL 111 1HG2 VAL 111 5.008 -13.174 -7.443 827 2HG2 VAL 111 2HG2 VAL 111 4.865 -11.739 -6.430 828 3HG2 VAL 111 3HG2 VAL 111 6.143 -11.836 -7.639 829 H ARG 112 H ARG 112 5.408 -9.666 -10.228 830 HA ARG 112 HA ARG 112 8.209 -10.376 -10.123 831 1HB ARG 112 1HB ARG 112 8.094 -10.595 -12.419 832 2HB ARG 112 2HB ARG 112 6.856 -9.351 -12.586 833 1HG ARG 112 1HG ARG 112 8.387 -7.626 -12.415 834 2HG ARG 112 2HG ARG 112 9.597 -8.640 -11.637 835 1HD ARG 112 1HD ARG 112 9.645 -9.923 -13.859 836 2HD ARG 112 2HD ARG 112 8.803 -8.530 -14.510 837 HE ARG 112 HE ARG 112 11.032 -7.614 -13.106 838 1HH1 ARG 112 1HH1 ARG 112 10.316 -9.443 -16.007 839 2HH1 ARG 112 2HH1 ARG 112 11.765 -8.937 -16.826 840 1HH2 ARG 112 1HH2 ARG 112 12.924 -6.977 -14.148 841 2HH2 ARG 112 2HH2 ARG 112 13.259 -7.527 -15.760 842 H LYS 113 H LYS 113 9.234 -8.974 -8.989 843 HA LYS 113 HA LYS 113 8.279 -6.558 -8.005 844 1HB LYS 113 1HB LYS 113 10.209 -7.886 -7.139 845 2HB LYS 113 2HB LYS 113 11.160 -7.324 -8.507 846 1HG LYS 113 1HG LYS 113 10.239 -4.978 -7.515 847 2HG LYS 113 2HG LYS 113 10.401 -5.941 -6.046 848 1HD LYS 113 1HD LYS 113 12.695 -6.312 -6.423 849 2HD LYS 113 2HD LYS 113 12.591 -5.735 -8.090 850 1HE LYS 113 1HE LYS 113 13.564 -3.974 -6.900 851 2HE LYS 113 2HE LYS 113 11.886 -3.510 -7.109 852 1HZ LYS 113 1HZ LYS 113 13.050 -4.698 -4.650 853 2HZ LYS 113 2HZ LYS 113 11.426 -4.245 -4.860 854 3HZ LYS 113 3HZ LYS 113 12.645 -3.064 -4.866 855 H VAL 114 H VAL 114 8.247 -4.519 -8.757 856 HA VAL 114 HA VAL 114 8.661 -4.114 -11.568 857 HB VAL 114 HB VAL 114 8.000 -2.063 -9.447 858 1HG1 VAL 114 1HG1 VAL 114 7.703 -1.963 -12.448 859 2HG1 VAL 114 2HG1 VAL 114 8.867 -1.052 -11.485 860 3HG1 VAL 114 3HG1 VAL 114 7.140 -0.732 -11.318 861 1HG2 VAL 114 1HG2 VAL 114 6.176 -3.638 -11.256 862 2HG2 VAL 114 2HG2 VAL 114 5.683 -2.334 -10.178 863 3HG2 VAL 114 3HG2 VAL 114 6.333 -3.830 -9.508 864 H GLY 115 H GLY 115 10.069 -2.639 -8.649 865 1HA GLY 115 1HA GLY 115 12.504 -2.266 -8.596 866 2HA GLY 115 2HA GLY 115 12.394 -1.839 -10.302 867 H SER 116 H SER 116 9.683 -0.654 -9.239 868 HA SER 116 HA SER 116 10.778 1.994 -8.680 869 1HB SER 116 1HB SER 116 7.918 1.226 -9.311 870 2HB SER 116 2HB SER 116 8.615 2.847 -9.327 871 HG SER 116 HG SER 116 10.020 1.173 -10.930 Start of MODEL 4 1 H MET 1 H MET 1 -9.551 20.731 11.750 2 HA MET 1 HA MET 1 -8.784 19.441 9.846 3 1HB MET 1 1HB MET 1 -8.187 21.215 8.337 4 2HB MET 1 2HB MET 1 -7.009 21.854 9.474 5 1HG MET 1 1HG MET 1 -5.663 20.764 7.972 6 2HG MET 1 2HG MET 1 -5.880 19.535 9.216 7 1HE MET 1 1HE MET 1 -8.624 18.193 8.767 8 2HE MET 1 2HE MET 1 -7.128 17.264 8.867 9 3HE MET 1 3HE MET 1 -8.265 16.965 7.552 10 H VAL 2 H VAL 2 -8.063 17.899 11.148 11 HA VAL 2 HA VAL 2 -5.387 18.300 12.274 12 HB VAL 2 HB VAL 2 -6.955 18.390 14.133 13 1HG1 VAL 2 1HG1 VAL 2 -8.366 16.465 14.721 14 2HG1 VAL 2 2HG1 VAL 2 -7.896 15.674 13.215 15 3HG1 VAL 2 3HG1 VAL 2 -8.823 17.173 13.170 16 1HG2 VAL 2 1HG2 VAL 2 -4.815 17.363 14.547 17 2HG2 VAL 2 2HG2 VAL 2 -5.428 15.800 14.009 18 3HG2 VAL 2 3HG2 VAL 2 -6.060 16.533 15.482 19 H SER 3 H SER 3 -3.979 16.688 11.816 20 HA SER 3 HA SER 3 -4.657 14.782 9.844 21 1HB SER 3 1HB SER 3 -2.191 15.009 11.585 22 2HB SER 3 2HB SER 3 -2.339 13.954 10.179 23 HG SER 3 HG SER 3 -1.807 15.605 9.013 24 H THR 4 H THR 4 -4.828 12.553 9.963 25 HA THR 4 HA THR 4 -5.949 11.575 12.451 26 HB THR 4 HB THR 4 -7.057 11.087 10.313 27 HG1 THR 4 HG1 THR 4 -6.020 8.832 11.720 28 1HG2 THR 4 1HG2 THR 4 -4.589 9.462 9.683 29 2HG2 THR 4 2HG2 THR 4 -5.103 10.938 8.865 30 3HG2 THR 4 3HG2 THR 4 -6.079 9.475 8.736 31 H LEU 5 H LEU 5 -3.168 12.144 12.530 32 HA LEU 5 HA LEU 5 -1.876 9.499 12.530 33 1HB LEU 5 1HB LEU 5 -0.555 12.211 12.529 34 2HB LEU 5 2HB LEU 5 0.202 10.659 12.220 35 HG LEU 5 HG LEU 5 -1.907 11.852 10.431 36 1HD1 LEU 5 1HD1 LEU 5 0.050 13.313 10.533 37 2HD1 LEU 5 2HD1 LEU 5 -0.103 12.524 8.964 38 3HD1 LEU 5 3HD1 LEU 5 1.085 11.946 10.127 39 1HD2 LEU 5 1HD2 LEU 5 -1.657 9.433 10.256 40 2HD2 LEU 5 2HD2 LEU 5 0.080 9.620 10.018 41 3HD2 LEU 5 3HD2 LEU 5 -1.046 10.235 8.809 42 HA PRO 6 HA PRO 6 -1.017 10.008 16.937 43 1HB PRO 6 1HB PRO 6 1.494 9.058 17.177 44 2HB PRO 6 2HB PRO 6 0.129 7.985 16.835 45 1HG PRO 6 1HG PRO 6 2.105 9.192 14.926 46 2HG PRO 6 2HG PRO 6 1.574 7.505 15.047 47 1HD PRO 6 1HD PRO 6 0.529 9.181 13.220 48 2HD PRO 6 2HD PRO 6 -0.466 7.944 14.018 49 HA PRO 7 HA PRO 7 1.161 13.846 17.326 50 1HB PRO 7 1HB PRO 7 1.865 13.251 20.087 51 2HB PRO 7 2HB PRO 7 0.690 14.411 19.466 52 1HG PRO 7 1HG PRO 7 -0.022 12.159 20.803 53 2HG PRO 7 2HG PRO 7 -1.037 12.908 19.558 54 1HD PRO 7 1HD PRO 7 0.770 10.527 19.353 55 2HD PRO 7 2HD PRO 7 -0.846 10.779 18.657 56 H CYS 8 H CYS 8 3.226 14.546 18.921 57 HA CYS 8 HA CYS 8 5.469 13.104 17.723 58 1HB CYS 8 1HB CYS 8 5.582 15.411 17.217 59 2HB CYS 8 2HB CYS 8 5.130 15.876 18.850 60 HA PRO 9 HA PRO 9 6.271 11.325 21.743 61 1HB PRO 9 1HB PRO 9 8.654 10.182 21.162 62 2HB PRO 9 2HB PRO 9 7.118 9.517 20.597 63 1HG PRO 9 1HG PRO 9 9.083 11.244 19.138 64 2HG PRO 9 2HG PRO 9 8.240 9.789 18.572 65 1HD PRO 9 1HD PRO 9 7.414 12.270 17.916 66 2HD PRO 9 2HD PRO 9 6.277 10.931 18.162 67 H GLN 10 H GLN 10 7.540 14.039 20.562 68 HA GLN 10 HA GLN 10 9.499 14.296 22.732 69 1HB GLN 10 1HB GLN 10 9.517 15.751 20.090 70 2HB GLN 10 2HB GLN 10 10.679 15.958 21.393 71 1HG GLN 10 1HG GLN 10 11.404 13.659 21.132 72 2HG GLN 10 2HG GLN 10 10.213 13.429 19.850 73 1HE2 GLN 10 1HE2 GLN 10 10.506 14.445 17.885 74 2HE2 GLN 10 2HE2 GLN 10 12.035 15.066 17.398 75 H CYS 11 H CYS 11 6.864 15.923 20.883 76 HA CYS 11 HA CYS 11 6.842 18.005 22.933 77 1HB CYS 11 1HB CYS 11 5.515 18.004 20.210 78 2HB CYS 11 2HB CYS 11 5.690 19.370 21.301 79 H ASN 12 H ASN 12 4.865 15.806 20.988 80 HA ASN 12 HA ASN 12 2.866 14.791 21.288 81 1HB ASN 12 1HB ASN 12 3.846 14.286 23.529 82 2HB ASN 12 2HB ASN 12 3.055 15.725 24.158 83 1HD2 ASN 12 1HD2 ASN 12 1.771 14.694 25.584 84 2HD2 ASN 12 2HD2 ASN 12 0.467 13.655 25.130 85 H SER 13 H SER 13 3.308 17.975 21.413 86 HA SER 13 HA SER 13 1.100 19.276 22.280 87 1HB SER 13 1HB SER 13 2.319 19.929 19.605 88 2HB SER 13 2HB SER 13 1.655 21.038 20.807 89 HG SER 13 HG SER 13 3.406 20.757 22.072 90 H GLU 14 H GLU 14 1.252 18.703 18.745 91 HA GLU 14 HA GLU 14 -1.023 17.222 18.341 92 1HB GLU 14 1HB GLU 14 -2.763 18.899 17.813 93 2HB GLU 14 2HB GLU 14 -2.333 18.866 19.510 94 1HG GLU 14 1HG GLU 14 -0.991 20.868 19.244 95 2HG GLU 14 2HG GLU 14 -1.330 20.880 17.514 96 H TYR 15 H TYR 15 1.122 19.701 17.216 97 HA TYR 15 HA TYR 15 -0.153 19.783 14.616 98 1HB TYR 15 1HB TYR 15 1.988 21.412 14.312 99 2HB TYR 15 2HB TYR 15 0.399 21.925 14.853 100 HD1 TYR 15 HD1 TYR 15 3.794 21.022 15.991 101 HD2 TYR 15 HD2 TYR 15 0.054 22.746 17.031 102 HE1 TYR 15 HE1 TYR 15 4.784 21.905 18.063 103 HE2 TYR 15 HE2 TYR 15 1.031 23.637 19.107 104 HH TYR 15 HH TYR 15 4.427 23.622 19.692 105 H THR 16 H THR 16 0.617 17.415 14.887 106 HA THR 16 HA THR 16 3.136 17.127 13.400 107 HB THR 16 HB THR 16 1.453 14.920 14.596 108 HG1 THR 16 HG1 THR 16 2.851 16.864 15.851 109 1HG2 THR 16 1HG2 THR 16 3.571 13.712 14.615 110 2HG2 THR 16 2HG2 THR 16 4.396 15.129 13.967 111 3HG2 THR 16 3HG2 THR 16 3.205 14.276 12.985 112 H TYR 17 H TYR 17 3.111 16.084 11.349 113 HA TYR 17 HA TYR 17 0.499 15.614 10.161 114 1HB TYR 17 1HB TYR 17 0.782 17.150 8.340 115 2HB TYR 17 2HB TYR 17 0.992 18.055 9.835 116 HD1 TYR 17 HD1 TYR 17 3.321 18.762 10.522 117 HD2 TYR 17 HD2 TYR 17 2.502 16.993 6.737 118 HE1 TYR 17 HE1 TYR 17 5.463 19.607 9.663 119 HE2 TYR 17 HE2 TYR 17 4.641 17.826 5.874 120 HH TYR 17 HH TYR 17 6.237 19.656 6.378 121 H GLU 18 H GLU 18 0.817 14.875 7.776 122 HA GLU 18 HA GLU 18 3.083 13.029 7.797 123 1HB GLU 18 1HB GLU 18 1.788 11.863 5.992 124 2HB GLU 18 2HB GLU 18 0.990 11.910 7.555 125 1HG GLU 18 1HG GLU 18 0.364 14.005 5.526 126 2HG GLU 18 2HG GLU 18 -0.338 12.397 5.359 127 H ASP 19 H ASP 19 4.837 13.733 6.702 128 HA ASP 19 HA ASP 19 4.372 15.091 4.154 129 1HB ASP 19 1HB ASP 19 5.682 16.389 5.844 130 2HB ASP 19 2HB ASP 19 6.895 15.113 5.819 131 H GLY 20 H GLY 20 4.005 13.031 3.156 132 1HA GLY 20 1HA GLY 20 5.012 11.665 1.520 133 2HA GLY 20 2HA GLY 20 6.545 11.849 2.355 134 H ALA 21 H ALA 21 7.214 10.294 3.679 135 HA ALA 21 HA ALA 21 5.429 7.948 3.904 136 1HB ALA 21 1HB ALA 21 8.426 7.994 3.630 137 2HB ALA 21 2HB ALA 21 7.280 7.652 2.333 138 3HB ALA 21 3HB ALA 21 7.409 6.557 3.710 139 H LEU 22 H LEU 22 6.054 10.200 5.875 140 HA LEU 22 HA LEU 22 6.156 8.527 8.172 141 1HB LEU 22 1HB LEU 22 8.188 9.091 9.130 142 2HB LEU 22 2HB LEU 22 8.591 8.803 7.453 143 HG LEU 22 HG LEU 22 8.311 11.501 8.779 144 1HD1 LEU 22 1HD1 LEU 22 10.286 10.306 9.461 145 2HD1 LEU 22 2HD1 LEU 22 10.729 11.616 8.362 146 3HD1 LEU 22 3HD1 LEU 22 10.685 9.952 7.780 147 1HD2 LEU 22 1HD2 LEU 22 7.609 11.633 6.443 148 2HD2 LEU 22 2HD2 LEU 22 9.089 10.813 5.943 149 3HD2 LEU 22 3HD2 LEU 22 9.174 12.417 6.672 150 H LEU 23 H LEU 23 6.602 10.210 10.180 151 HA LEU 23 HA LEU 23 4.686 12.395 9.735 152 1HB LEU 23 1HB LEU 23 5.558 11.439 12.437 153 2HB LEU 23 2HB LEU 23 4.062 12.224 11.972 154 HG LEU 23 HG LEU 23 4.800 9.382 11.272 155 1HD1 LEU 23 1HD1 LEU 23 4.448 9.648 13.658 156 2HD1 LEU 23 2HD1 LEU 23 3.109 8.764 12.924 157 3HD1 LEU 23 3HD1 LEU 23 2.915 10.464 13.354 158 1HD2 LEU 23 1HD2 LEU 23 2.544 9.157 10.507 159 2HD2 LEU 23 2HD2 LEU 23 3.275 10.535 9.679 160 3HD2 LEU 23 3HD2 LEU 23 2.160 10.798 11.020 161 H VAL 24 H VAL 24 5.368 14.500 10.014 162 HA VAL 24 HA VAL 24 8.106 14.903 10.996 163 HB VAL 24 HB VAL 24 6.552 16.534 8.978 164 1HG1 VAL 24 1HG1 VAL 24 8.730 17.659 8.588 165 2HG1 VAL 24 2HG1 VAL 24 9.375 16.801 9.988 166 3HG1 VAL 24 3HG1 VAL 24 8.051 17.946 10.190 167 1HG2 VAL 24 1HG2 VAL 24 7.158 14.416 8.025 168 2HG2 VAL 24 2HG2 VAL 24 8.821 14.593 8.585 169 3HG2 VAL 24 3HG2 VAL 24 8.189 15.674 7.342 170 H CYS 25 H CYS 25 8.275 16.215 12.779 171 HA CYS 25 HA CYS 25 5.916 17.762 13.541 172 1HB CYS 25 1HB CYS 25 6.876 16.217 15.201 173 2HB CYS 25 2HB CYS 25 8.424 17.039 15.068 174 HA PRO 26 HA PRO 26 8.235 21.197 11.781 175 1HB PRO 26 1HB PRO 26 6.250 23.034 12.133 176 2HB PRO 26 2HB PRO 26 6.295 21.902 10.777 177 1HG PRO 26 1HG PRO 26 4.730 21.757 13.317 178 2HG PRO 26 2HG PRO 26 4.233 21.341 11.666 179 1HD PRO 26 1HD PRO 26 4.956 19.477 13.505 180 2HD PRO 26 2HD PRO 26 5.217 19.261 11.761 181 H GLU 27 H GLU 27 6.882 20.751 14.889 182 HA GLU 27 HA GLU 27 7.664 23.204 16.070 183 1HB GLU 27 1HB GLU 27 5.941 21.794 17.081 184 2HB GLU 27 2HB GLU 27 7.123 20.521 17.352 185 1HG GLU 27 1HG GLU 27 6.670 21.734 19.400 186 2HG GLU 27 2HG GLU 27 8.342 21.967 18.892 187 H CYS 28 H CYS 28 9.054 19.924 16.797 188 HA CYS 28 HA CYS 28 11.368 21.316 17.784 189 1HB CYS 28 1HB CYS 28 12.025 19.093 18.648 190 2HB CYS 28 2HB CYS 28 10.417 19.579 19.168 191 H ALA 29 H ALA 29 10.666 20.570 14.704 192 HA ALA 29 HA ALA 29 11.892 20.292 12.878 193 1HB ALA 29 1HB ALA 29 13.125 22.162 13.853 194 2HB ALA 29 2HB ALA 29 14.182 21.103 12.919 195 3HB ALA 29 3HB ALA 29 14.191 21.027 14.681 196 H HIS 30 H HIS 30 11.302 17.895 14.077 197 HA HIS 30 HA HIS 30 13.558 16.321 13.107 198 1HB HIS 30 1HB HIS 30 13.783 16.480 15.604 199 2HB HIS 30 2HB HIS 30 12.220 15.689 15.744 200 HD1 HIS 30 HD1 HIS 30 12.301 13.202 15.930 201 HD2 HIS 30 HD2 HIS 30 15.755 14.745 14.215 202 HE1 HIS 30 HE1 HIS 30 13.853 11.248 15.676 203 HE2 HIS 30 HE2 HIS 30 16.010 12.244 14.838 204 H GLU 31 H GLU 31 12.885 14.799 11.780 205 HA GLU 31 HA GLU 31 10.052 14.154 11.611 206 1HB GLU 31 1HB GLU 31 12.336 13.116 9.914 207 2HB GLU 31 2HB GLU 31 10.622 13.013 9.551 208 1HG GLU 31 1HG GLU 31 11.214 14.745 8.205 209 2HG GLU 31 2HG GLU 31 10.764 15.626 9.661 210 H TRP 32 H TRP 32 9.318 11.906 11.654 211 HA TRP 32 HA TRP 32 11.091 9.938 12.752 212 1HB TRP 32 1HB TRP 32 10.372 9.850 14.922 213 2HB TRP 32 2HB TRP 32 10.083 11.561 14.641 214 HD1 TRP 32 HD1 TRP 32 7.353 11.940 13.611 215 HE1 TRP 32 HE1 TRP 32 5.215 10.988 14.706 216 HE3 TRP 32 HE3 TRP 32 9.449 8.171 16.349 217 HZ2 TRP 32 HZ2 TRP 32 4.524 8.927 16.492 218 HZ3 TRP 32 HZ3 TRP 32 7.982 6.762 17.728 219 HH2 TRP 32 HH2 TRP 32 5.571 7.129 17.797 220 H SER 33 H SER 33 9.941 7.883 13.025 221 HA SER 33 HA SER 33 7.562 7.766 11.315 222 1HB SER 33 1HB SER 33 9.954 5.937 11.410 223 2HB SER 33 2HB SER 33 8.450 5.510 10.597 224 HG SER 33 HG SER 33 8.847 6.950 9.065 225 HA PRO 34 HA PRO 34 5.524 6.466 14.897 226 1HB PRO 34 1HB PRO 34 3.594 4.834 13.755 227 2HB PRO 34 2HB PRO 34 3.500 6.591 13.884 228 1HG PRO 34 1HG PRO 34 4.322 4.901 11.567 229 2HG PRO 34 2HG PRO 34 3.366 6.395 11.587 230 1HD PRO 34 1HD PRO 34 5.944 6.397 10.856 231 2HD PRO 34 2HD PRO 34 5.245 7.738 11.783 232 H ASN 35 H ASN 35 6.267 3.865 12.606 233 HA ASN 35 HA ASN 35 6.696 2.090 14.939 234 1HB ASN 35 1HB ASN 35 6.145 0.950 12.228 235 2HB ASN 35 2HB ASN 35 5.802 0.270 13.814 236 1HD2 ASN 35 1HD2 ASN 35 4.672 2.223 11.223 237 2HD2 ASN 35 2HD2 ASN 35 3.065 2.465 11.837 238 H GLU 36 H GLU 36 7.735 3.209 11.846 239 HA GLU 36 HA GLU 36 9.679 1.243 11.306 240 1HB GLU 36 1HB GLU 36 9.490 4.046 10.185 241 2HB GLU 36 2HB GLU 36 10.326 2.685 9.460 242 1HG GLU 36 1HG GLU 36 8.257 3.066 8.297 243 2HG GLU 36 2HG GLU 36 8.159 1.538 9.166 244 H ALA 37 H ALA 37 9.739 4.138 13.200 245 HA ALA 37 HA ALA 37 12.538 4.579 13.210 246 1HB ALA 37 1HB ALA 37 10.499 5.251 15.330 247 2HB ALA 37 2HB ALA 37 10.957 6.278 13.970 248 3HB ALA 37 3HB ALA 37 12.136 5.903 15.227 249 H ALA 38 H ALA 38 10.403 2.481 15.019 250 HA ALA 38 HA ALA 38 12.515 1.570 16.781 251 1HB ALA 38 1HB ALA 38 10.230 1.736 17.634 252 2HB ALA 38 2HB ALA 38 10.814 0.072 17.702 253 3HB ALA 38 3HB ALA 38 9.692 0.562 16.432 254 H THR 39 H THR 39 10.332 -0.045 14.462 255 HA THR 39 HA THR 39 12.319 -1.298 12.960 256 HB THR 39 HB THR 39 12.726 -2.516 15.123 257 HG1 THR 39 HG1 THR 39 13.339 -3.485 13.178 258 1HG2 THR 39 1HG2 THR 39 10.427 -2.691 15.920 259 2HG2 THR 39 2HG2 THR 39 11.157 -4.290 15.773 260 3HG2 THR 39 3HG2 THR 39 10.020 -3.723 14.549 261 H ALA 40 H ALA 40 11.261 -3.426 11.914 262 HA ALA 40 HA ALA 40 8.430 -2.831 11.382 263 1HB ALA 40 1HB ALA 40 9.758 -1.790 9.607 264 2HB ALA 40 2HB ALA 40 8.774 -3.117 8.989 265 3HB ALA 40 3HB ALA 40 10.503 -3.349 9.252 266 H SER 41 H SER 41 7.681 -4.613 12.445 267 HA SER 41 HA SER 41 8.779 -7.226 11.722 268 1HB SER 41 1HB SER 41 6.886 -6.459 13.955 269 2HB SER 41 2HB SER 41 7.584 -8.060 13.700 270 HG SER 41 HG SER 41 9.682 -6.937 13.853 271 H ASP 42 H ASP 42 6.726 -5.424 10.233 272 HA ASP 42 HA ASP 42 4.860 -7.632 9.715 273 1HB ASP 42 1HB ASP 42 3.725 -5.858 11.053 274 2HB ASP 42 2HB ASP 42 4.058 -4.721 9.751 275 H ASP 43 H ASP 43 4.345 -7.979 7.653 276 HA ASP 43 HA ASP 43 5.482 -6.187 5.612 277 1HB ASP 43 1HB ASP 43 6.909 -8.153 5.780 278 2HB ASP 43 2HB ASP 43 5.513 -9.216 5.643 279 H GLY 44 H GLY 44 2.752 -7.354 6.923 280 1HA GLY 44 1HA GLY 44 1.304 -8.102 4.536 281 2HA GLY 44 2HA GLY 44 0.644 -7.955 6.159 282 H LYS 45 H LYS 45 2.414 -5.562 4.280 283 HA LYS 45 HA LYS 45 0.078 -3.785 4.459 284 1HB LYS 45 1HB LYS 45 3.013 -3.086 4.218 285 2HB LYS 45 2HB LYS 45 1.695 -1.930 4.318 286 1HG LYS 45 1HG LYS 45 2.231 -3.931 6.494 287 2HG LYS 45 2HG LYS 45 3.039 -2.366 6.432 288 1HD LYS 45 1HD LYS 45 1.220 -1.962 7.822 289 2HD LYS 45 2HD LYS 45 0.652 -1.395 6.253 290 1HE LYS 45 1HE LYS 45 -1.131 -2.639 7.150 291 2HE LYS 45 2HE LYS 45 -0.377 -3.698 5.960 292 1HZ LYS 45 1HZ LYS 45 -0.078 -3.809 8.908 293 2HZ LYS 45 2HZ LYS 45 0.864 -4.733 7.840 294 3HZ LYS 45 3HZ LYS 45 -0.819 -4.960 7.908 295 H VAL 46 H VAL 46 2.699 -4.922 2.379 296 HA VAL 46 HA VAL 46 1.242 -3.868 0.051 297 HB VAL 46 HB VAL 46 4.254 -4.015 0.182 298 1HG1 VAL 46 1HG1 VAL 46 3.295 -3.987 -2.041 299 2HG1 VAL 46 2HG1 VAL 46 4.124 -2.465 -1.712 300 3HG1 VAL 46 3HG1 VAL 46 2.363 -2.544 -1.643 301 1HG2 VAL 46 1HG2 VAL 46 4.287 -1.598 0.573 302 2HG2 VAL 46 2HG2 VAL 46 3.532 -2.458 1.915 303 3HG2 VAL 46 3HG2 VAL 46 2.532 -1.601 0.742 304 H ILE 47 H ILE 47 1.613 -5.080 -1.933 305 HA ILE 47 HA ILE 47 1.902 -7.933 -1.361 306 HB ILE 47 HB ILE 47 1.073 -6.797 -4.017 307 1HG1 ILE 47 1HG1 ILE 47 -0.296 -5.652 -2.323 308 2HG1 ILE 47 2HG1 ILE 47 -1.261 -6.784 -3.261 309 1HG2 ILE 47 1HG2 ILE 47 0.383 -9.338 -2.539 310 2HG2 ILE 47 2HG2 ILE 47 1.477 -9.187 -3.913 311 3HG2 ILE 47 3HG2 ILE 47 -0.248 -8.881 -4.121 312 1HD1 ILE 47 1HD1 ILE 47 -1.788 -6.772 -0.851 313 2HD1 ILE 47 2HD1 ILE 47 -0.157 -7.359 -0.522 314 3HD1 ILE 47 3HD1 ILE 47 -1.286 -8.353 -1.451 315 H LYS 48 H LYS 48 3.462 -9.208 -2.310 316 HA LYS 48 HA LYS 48 5.482 -7.892 -3.987 317 1HB LYS 48 1HB LYS 48 5.800 -8.668 -1.348 318 2HB LYS 48 2HB LYS 48 6.502 -10.001 -2.255 319 1HG LYS 48 1HG LYS 48 8.141 -8.670 -3.196 320 2HG LYS 48 2HG LYS 48 7.241 -7.182 -2.891 321 1HD LYS 48 1HD LYS 48 8.546 -8.939 -0.816 322 2HD LYS 48 2HD LYS 48 9.120 -7.361 -1.361 323 1HE LYS 48 1HE LYS 48 7.064 -6.322 -0.518 324 2HE LYS 48 2HE LYS 48 6.490 -7.900 0.022 325 1HZ LYS 48 1HZ LYS 48 8.556 -8.000 1.414 326 2HZ LYS 48 2HZ LYS 48 7.415 -6.857 1.904 327 3HZ LYS 48 3HZ LYS 48 8.807 -6.364 1.057 328 H ASP 49 H ASP 49 6.484 -9.211 -5.546 329 HA ASP 49 HA ASP 49 4.771 -11.462 -6.299 330 1HB ASP 49 1HB ASP 49 6.507 -9.586 -7.878 331 2HB ASP 49 2HB ASP 49 5.839 -11.050 -8.584 332 H SER 50 H SER 50 6.098 -12.908 -8.033 333 HA SER 50 HA SER 50 7.846 -14.395 -6.286 334 1HB SER 50 1HB SER 50 6.171 -15.459 -7.819 335 2HB SER 50 2HB SER 50 7.163 -14.950 -9.185 336 HG SER 50 HG SER 50 7.737 -16.856 -7.172 337 H VAL 51 H VAL 51 8.286 -11.901 -8.305 338 HA VAL 51 HA VAL 51 10.949 -12.586 -9.278 339 HB VAL 51 HB VAL 51 9.675 -9.869 -9.403 340 1HG1 VAL 51 1HG1 VAL 51 11.995 -10.023 -10.064 341 2HG1 VAL 51 2HG1 VAL 51 10.974 -9.679 -11.463 342 3HG1 VAL 51 3HG1 VAL 51 11.605 -11.306 -11.208 343 1HG2 VAL 51 1HG2 VAL 51 9.161 -12.205 -11.223 344 2HG2 VAL 51 2HG2 VAL 51 8.682 -10.538 -11.551 345 3HG2 VAL 51 3HG2 VAL 51 7.999 -11.397 -10.169 346 H GLY 52 H GLY 52 9.470 -11.256 -6.582 347 1HA GLY 52 1HA GLY 52 10.565 -10.690 -4.571 348 2HA GLY 52 2HA GLY 52 12.034 -10.374 -5.487 349 H ASN 53 H ASN 53 9.703 -8.999 -7.257 350 HA ASN 53 HA ASN 53 10.351 -6.394 -6.199 351 1HB ASN 53 1HB ASN 53 8.999 -5.607 -8.261 352 2HB ASN 53 2HB ASN 53 10.598 -6.291 -8.483 353 1HD2 ASN 53 1HD2 ASN 53 7.674 -8.191 -7.872 354 2HD2 ASN 53 2HD2 ASN 53 7.633 -8.915 -9.439 355 H VAL 54 H VAL 54 8.935 -4.831 -5.798 356 HA VAL 54 HA VAL 54 6.439 -5.772 -4.513 357 HB VAL 54 HB VAL 54 7.775 -3.147 -3.878 358 1HG1 VAL 54 1HG1 VAL 54 6.626 -3.476 -1.718 359 2HG1 VAL 54 2HG1 VAL 54 5.920 -4.968 -2.349 360 3HG1 VAL 54 3HG1 VAL 54 5.514 -3.416 -3.085 361 1HG2 VAL 54 1HG2 VAL 54 8.952 -4.217 -2.033 362 2HG2 VAL 54 2HG2 VAL 54 9.460 -4.906 -3.575 363 3HG2 VAL 54 3HG2 VAL 54 8.340 -5.791 -2.539 364 H LEU 55 H LEU 55 4.427 -4.715 -4.981 365 HA LEU 55 HA LEU 55 4.586 -3.275 -7.513 366 1HB LEU 55 1HB LEU 55 2.477 -4.945 -6.168 367 2HB LEU 55 2HB LEU 55 2.108 -3.927 -7.543 368 HG LEU 55 HG LEU 55 3.542 -5.226 -8.975 369 1HD1 LEU 55 1HD1 LEU 55 5.355 -5.752 -7.483 370 2HD1 LEU 55 2HD1 LEU 55 4.684 -7.249 -8.147 371 3HD1 LEU 55 3HD1 LEU 55 4.292 -6.761 -6.497 372 1HD2 LEU 55 1HD2 LEU 55 2.436 -7.416 -8.826 373 2HD2 LEU 55 2HD2 LEU 55 1.309 -6.066 -8.678 374 3HD2 LEU 55 3HD2 LEU 55 1.804 -6.964 -7.243 375 H GLN 56 H GLN 56 2.485 -1.935 -7.831 376 HA GLN 56 HA GLN 56 1.835 -0.384 -5.418 377 1HB GLN 56 1HB GLN 56 3.443 0.861 -6.866 378 2HB GLN 56 2HB GLN 56 2.295 0.746 -8.192 379 1HG GLN 56 1HG GLN 56 0.659 1.939 -6.618 380 2HG GLN 56 2HG GLN 56 2.088 2.336 -5.664 381 1HE2 GLN 56 1HE2 GLN 56 0.400 2.824 -8.643 382 2HE2 GLN 56 2HE2 GLN 56 1.323 4.184 -9.193 383 H ASP 57 H ASP 57 -0.289 0.549 -5.473 384 HA ASP 57 HA ASP 57 -2.223 -0.932 -6.952 385 1HB ASP 57 1HB ASP 57 -3.869 0.262 -5.830 386 2HB ASP 57 2HB ASP 57 -2.541 0.325 -4.687 387 H GLY 58 H GLY 58 -3.311 -0.393 -8.771 388 1HA GLY 58 1HA GLY 58 -3.815 0.777 -10.716 389 2HA GLY 58 2HA GLY 58 -2.879 2.133 -10.105 390 H ASP 59 H ASP 59 -0.813 -0.299 -9.722 391 HA ASP 59 HA ASP 59 0.745 0.328 -12.014 392 1HB ASP 59 1HB ASP 59 1.549 -0.419 -9.700 393 2HB ASP 59 2HB ASP 59 1.122 -2.048 -10.194 394 H THR 60 H THR 60 1.701 -1.560 -13.355 395 HA THR 60 HA THR 60 -0.502 -3.287 -14.234 396 HB THR 60 HB THR 60 1.937 -2.354 -15.776 397 HG1 THR 60 HG1 THR 60 0.659 -0.621 -15.877 398 1HG2 THR 60 1HG2 THR 60 1.167 -4.564 -16.484 399 2HG2 THR 60 2HG2 THR 60 0.829 -3.354 -17.721 400 3HG2 THR 60 3HG2 THR 60 -0.470 -3.939 -16.681 401 H ILE 61 H ILE 61 -0.114 -5.484 -14.273 402 HA ILE 61 HA ILE 61 2.552 -6.329 -13.346 403 HB ILE 61 HB ILE 61 1.572 -8.087 -12.030 404 1HG1 ILE 61 1HG1 ILE 61 -1.094 -7.855 -11.806 405 2HG1 ILE 61 2HG1 ILE 61 -0.921 -7.328 -13.476 406 1HG2 ILE 61 1HG2 ILE 61 0.127 -5.496 -11.498 407 2HG2 ILE 61 2HG2 ILE 61 1.758 -5.914 -10.969 408 3HG2 ILE 61 3HG2 ILE 61 0.374 -6.810 -10.345 409 1HD1 ILE 61 1HD1 ILE 61 -0.005 -9.949 -12.328 410 2HD1 ILE 61 2HD1 ILE 61 0.253 -9.416 -13.989 411 3HD1 ILE 61 3HD1 ILE 61 -1.386 -9.687 -13.394 412 H THR 62 H THR 62 2.992 -8.691 -13.900 413 HA THR 62 HA THR 62 1.457 -9.719 -16.144 414 HB THR 62 HB THR 62 4.308 -8.826 -16.236 415 HG1 THR 62 HG1 THR 62 2.179 -7.824 -17.163 416 1HG2 THR 62 1HG2 THR 62 4.439 -11.156 -16.887 417 2HG2 THR 62 2HG2 THR 62 4.636 -10.127 -18.305 418 3HG2 THR 62 3HG2 THR 62 3.098 -10.943 -18.015 419 H VAL 63 H VAL 63 1.004 -11.743 -15.609 420 HA VAL 63 HA VAL 63 2.262 -13.253 -13.601 421 HB VAL 63 HB VAL 63 -0.104 -13.512 -14.802 422 1HG1 VAL 63 1HG1 VAL 63 0.687 -14.149 -16.959 423 2HG1 VAL 63 2HG1 VAL 63 -0.143 -15.520 -16.220 424 3HG1 VAL 63 3HG1 VAL 63 1.622 -15.474 -16.266 425 1HG2 VAL 63 1HG2 VAL 63 -0.311 -15.737 -13.836 426 2HG2 VAL 63 2HG2 VAL 63 0.579 -14.661 -12.757 427 3HG2 VAL 63 3HG2 VAL 63 1.444 -15.860 -13.722 428 H ILE 64 H ILE 64 4.137 -14.366 -13.640 429 HA ILE 64 HA ILE 64 5.356 -14.831 -16.213 430 HB ILE 64 HB ILE 64 7.427 -15.175 -15.077 431 1HG1 ILE 64 1HG1 ILE 64 6.214 -16.364 -13.073 432 2HG1 ILE 64 2HG1 ILE 64 7.740 -15.539 -12.808 433 1HG2 ILE 64 1HG2 ILE 64 5.924 -12.900 -13.809 434 2HG2 ILE 64 2HG2 ILE 64 6.690 -12.881 -15.401 435 3HG2 ILE 64 3HG2 ILE 64 7.677 -13.039 -13.946 436 1HD1 ILE 64 1HD1 ILE 64 4.982 -14.593 -12.114 437 2HD1 ILE 64 2HD1 ILE 64 6.422 -13.579 -12.019 438 3HD1 ILE 64 3HD1 ILE 64 6.293 -15.025 -11.017 439 H LYS 65 H LYS 65 3.142 -16.717 -14.950 440 HA LYS 65 HA LYS 65 4.641 -19.139 -15.511 441 1HB LYS 65 1HB LYS 65 3.166 -18.492 -12.995 442 2HB LYS 65 2HB LYS 65 2.935 -20.098 -13.658 443 1HG LYS 65 1HG LYS 65 4.631 -20.241 -12.013 444 2HG LYS 65 2HG LYS 65 5.418 -20.400 -13.583 445 1HD LYS 65 1HD LYS 65 6.193 -18.141 -13.491 446 2HD LYS 65 2HD LYS 65 5.247 -17.823 -12.036 447 1HE LYS 65 1HE LYS 65 7.426 -19.895 -12.150 448 2HE LYS 65 2HE LYS 65 7.730 -18.216 -11.712 449 1HZ LYS 65 1HZ LYS 65 5.930 -20.107 -10.285 450 2HZ LYS 65 2HZ LYS 65 6.131 -18.474 -9.886 451 3HZ LYS 65 3HZ LYS 65 7.435 -19.544 -9.744 452 H ASP 66 H ASP 66 3.172 -20.882 -16.185 453 HA ASP 66 HA ASP 66 0.699 -19.956 -17.329 454 1HB ASP 66 1HB ASP 66 0.454 -22.165 -18.285 455 2HB ASP 66 2HB ASP 66 2.101 -21.600 -18.527 456 H LEU 67 H LEU 67 -1.044 -19.714 -16.225 457 HA LEU 67 HA LEU 67 -1.921 -21.823 -14.364 458 1HB LEU 67 1HB LEU 67 -2.434 -18.854 -14.072 459 2HB LEU 67 2HB LEU 67 -3.110 -20.105 -13.052 460 HG LEU 67 HG LEU 67 -0.623 -20.648 -12.507 461 1HD1 LEU 67 1HD1 LEU 67 0.356 -19.186 -14.197 462 2HD1 LEU 67 2HD1 LEU 67 0.832 -18.692 -12.572 463 3HD1 LEU 67 3HD1 LEU 67 -0.412 -17.790 -13.439 464 1HD2 LEU 67 1HD2 LEU 67 -2.262 -19.822 -10.911 465 2HD2 LEU 67 2HD2 LEU 67 -2.003 -18.173 -11.482 466 3HD2 LEU 67 3HD2 LEU 67 -0.700 -19.039 -10.666 467 H LYS 68 H LYS 68 -4.096 -22.390 -14.582 468 HA LYS 68 HA LYS 68 -5.523 -21.198 -16.814 469 1HB LYS 68 1HB LYS 68 -7.122 -22.989 -16.572 470 2HB LYS 68 2HB LYS 68 -5.501 -23.658 -16.526 471 1HG LYS 68 1HG LYS 68 -6.248 -24.795 -14.755 472 2HG LYS 68 2HG LYS 68 -6.007 -23.284 -13.877 473 1HD LYS 68 1HD LYS 68 -8.222 -24.196 -13.425 474 2HD LYS 68 2HD LYS 68 -8.348 -22.672 -14.306 475 1HE LYS 68 1HE LYS 68 -8.645 -23.936 -16.401 476 2HE LYS 68 2HE LYS 68 -8.579 -25.441 -15.485 477 1HZ LYS 68 1HZ LYS 68 -10.856 -24.776 -15.957 478 2HZ LYS 68 2HZ LYS 68 -10.621 -23.305 -15.150 479 3HZ LYS 68 3HZ LYS 68 -10.563 -24.766 -14.287 480 H VAL 69 H VAL 69 -8.046 -21.001 -16.341 481 HA VAL 69 HA VAL 69 -8.364 -19.410 -13.874 482 HB VAL 69 HB VAL 69 -9.645 -18.894 -16.577 483 1HG1 VAL 69 1HG1 VAL 69 -10.719 -16.972 -15.538 484 2HG1 VAL 69 2HG1 VAL 69 -10.026 -17.416 -13.976 485 3HG1 VAL 69 3HG1 VAL 69 -11.208 -18.472 -14.749 486 1HG2 VAL 69 1HG2 VAL 69 -7.355 -18.105 -16.496 487 2HG2 VAL 69 2HG2 VAL 69 -7.682 -17.244 -14.989 488 3HG2 VAL 69 3HG2 VAL 69 -8.473 -16.741 -16.485 489 H LYS 70 H LYS 70 -10.152 -20.032 -12.614 490 HA LYS 70 HA LYS 70 -11.135 -22.493 -12.671 491 1HB LYS 70 1HB LYS 70 -12.604 -20.027 -11.748 492 2HB LYS 70 2HB LYS 70 -12.965 -21.673 -11.248 493 1HG LYS 70 1HG LYS 70 -10.268 -20.434 -10.814 494 2HG LYS 70 2HG LYS 70 -11.589 -20.246 -9.662 495 1HD LYS 70 1HD LYS 70 -10.777 -22.968 -10.609 496 2HD LYS 70 2HD LYS 70 -9.868 -22.161 -9.333 497 1HE LYS 70 1HE LYS 70 -11.538 -23.609 -8.356 498 2HE LYS 70 2HE LYS 70 -11.941 -21.927 -8.031 499 1HZ LYS 70 1HZ LYS 70 -13.827 -23.403 -8.722 500 2HZ LYS 70 2HZ LYS 70 -13.136 -23.454 -10.271 501 3HZ LYS 70 3HZ LYS 70 -13.655 -21.975 -9.617 502 H GLY 71 H GLY 71 -13.646 -20.095 -13.251 503 1HA GLY 71 1HA GLY 71 -14.976 -22.127 -14.879 504 2HA GLY 71 2HA GLY 71 -15.749 -20.756 -14.104 505 H SER 72 H SER 72 -12.862 -20.158 -15.878 506 HA SER 72 HA SER 72 -14.474 -19.178 -18.130 507 1HB SER 72 1HB SER 72 -11.979 -17.922 -16.963 508 2HB SER 72 2HB SER 72 -12.887 -17.322 -18.348 509 HG SER 72 HG SER 72 -14.731 -17.359 -16.739 510 H SER 73 H SER 73 -13.469 -19.208 -20.199 511 HA SER 73 HA SER 73 -11.738 -21.496 -20.548 512 1HB SER 73 1HB SER 73 -12.950 -19.609 -22.585 513 2HB SER 73 2HB SER 73 -12.126 -21.125 -22.952 514 HG SER 73 HG SER 73 -14.197 -21.279 -21.103 515 H LEU 74 H LEU 74 -11.011 -18.536 -19.593 516 HA LEU 74 HA LEU 74 -8.879 -17.965 -21.472 517 1HB LEU 74 1HB LEU 74 -10.091 -16.543 -19.154 518 2HB LEU 74 2HB LEU 74 -8.455 -16.141 -19.613 519 HG LEU 74 HG LEU 74 -9.219 -15.525 -21.859 520 1HD1 LEU 74 1HD1 LEU 74 -11.979 -16.112 -20.807 521 2HD1 LEU 74 2HD1 LEU 74 -11.115 -17.034 -22.039 522 3HD1 LEU 74 3HD1 LEU 74 -11.597 -15.367 -22.360 523 1HD2 LEU 74 1HD2 LEU 74 -9.103 -13.822 -20.128 524 2HD2 LEU 74 2HD2 LEU 74 -10.762 -14.181 -19.648 525 3HD2 LEU 74 3HD2 LEU 74 -10.432 -13.502 -21.242 526 H VAL 75 H VAL 75 -6.897 -18.593 -21.184 527 HA VAL 75 HA VAL 75 -6.041 -19.717 -18.647 528 HB VAL 75 HB VAL 75 -4.698 -19.795 -21.360 529 1HG1 VAL 75 1HG1 VAL 75 -3.972 -21.214 -18.797 530 2HG1 VAL 75 2HG1 VAL 75 -3.060 -19.913 -19.562 531 3HG1 VAL 75 3HG1 VAL 75 -3.213 -21.474 -20.368 532 1HG2 VAL 75 1HG2 VAL 75 -5.348 -22.162 -21.359 533 2HG2 VAL 75 2HG2 VAL 75 -6.751 -21.095 -21.305 534 3HG2 VAL 75 3HG2 VAL 75 -6.212 -21.917 -19.841 535 H VAL 76 H VAL 76 -4.584 -18.798 -17.392 536 HA VAL 76 HA VAL 76 -3.605 -16.145 -18.016 537 HB VAL 76 HB VAL 76 -3.474 -17.854 -15.519 538 1HG1 VAL 76 1HG1 VAL 76 -2.548 -15.905 -14.374 539 2HG1 VAL 76 2HG1 VAL 76 -2.397 -15.076 -15.926 540 3HG1 VAL 76 3HG1 VAL 76 -1.462 -16.538 -15.609 541 1HG2 VAL 76 1HG2 VAL 76 -5.663 -16.918 -16.003 542 2HG2 VAL 76 2HG2 VAL 76 -4.960 -15.305 -16.139 543 3HG2 VAL 76 3HG2 VAL 76 -4.954 -16.143 -14.587 544 H LYS 77 H LYS 77 -1.916 -16.202 -19.352 545 HA LYS 77 HA LYS 77 0.093 -18.311 -18.943 546 1HB LYS 77 1HB LYS 77 0.715 -17.951 -21.356 547 2HB LYS 77 2HB LYS 77 -0.858 -18.665 -21.063 548 1HG LYS 77 1HG LYS 77 -1.213 -17.154 -22.791 549 2HG LYS 77 2HG LYS 77 -1.793 -16.307 -21.358 550 1HD LYS 77 1HD LYS 77 0.053 -14.882 -21.311 551 2HD LYS 77 2HD LYS 77 1.018 -15.945 -22.335 552 1HE LYS 77 1HE LYS 77 -1.427 -14.422 -23.234 553 2HE LYS 77 2HE LYS 77 0.239 -13.913 -23.513 554 1HZ LYS 77 1HZ LYS 77 0.578 -16.029 -24.725 555 2HZ LYS 77 2HZ LYS 77 -0.559 -15.010 -25.460 556 3HZ LYS 77 3HZ LYS 77 -1.080 -16.359 -24.572 557 H VAL 78 H VAL 78 2.276 -17.864 -19.288 558 HA VAL 78 HA VAL 78 3.228 -15.725 -17.795 559 HB VAL 78 HB VAL 78 4.636 -17.620 -18.031 560 1HG1 VAL 78 1HG1 VAL 78 3.906 -18.415 -20.205 561 2HG1 VAL 78 2HG1 VAL 78 5.666 -18.306 -20.149 562 3HG1 VAL 78 3HG1 VAL 78 4.731 -17.072 -20.995 563 1HG2 VAL 78 1HG2 VAL 78 5.902 -15.305 -19.495 564 2HG2 VAL 78 2HG2 VAL 78 6.774 -16.647 -18.754 565 3HG2 VAL 78 3HG2 VAL 78 5.845 -15.539 -17.749 566 H GLY 79 H GLY 79 2.525 -13.754 -18.393 567 1HA GLY 79 1HA GLY 79 3.679 -11.839 -19.678 568 2HA GLY 79 2HA GLY 79 3.172 -12.761 -21.089 569 H THR 80 H THR 80 0.966 -13.239 -18.764 570 HA THR 80 HA THR 80 -1.128 -11.795 -19.980 571 HB THR 80 HB THR 80 -1.064 -12.862 -17.151 572 HG1 THR 80 HG1 THR 80 -0.760 -14.444 -18.835 573 1HG2 THR 80 1HG2 THR 80 -3.515 -12.832 -17.312 574 2HG2 THR 80 2HG2 THR 80 -3.399 -12.074 -18.901 575 3HG2 THR 80 3HG2 THR 80 -2.841 -11.209 -17.469 576 H LYS 81 H LYS 81 -1.107 -9.698 -20.131 577 HA LYS 81 HA LYS 81 0.046 -8.091 -17.993 578 1HB LYS 81 1HB LYS 81 0.702 -7.498 -20.260 579 2HB LYS 81 2HB LYS 81 -0.981 -7.206 -20.698 580 1HG LYS 81 1HG LYS 81 -1.066 -5.415 -18.999 581 2HG LYS 81 2HG LYS 81 0.647 -5.675 -18.681 582 1HD LYS 81 1HD LYS 81 0.415 -3.804 -20.148 583 2HD LYS 81 2HD LYS 81 1.110 -5.144 -21.059 584 1HE LYS 81 1HE LYS 81 -1.012 -5.614 -22.084 585 2HE LYS 81 2HE LYS 81 -1.815 -4.422 -21.063 586 1HZ LYS 81 1HZ LYS 81 -1.424 -3.517 -23.249 587 2HZ LYS 81 2HZ LYS 81 0.235 -3.852 -23.135 588 3HZ LYS 81 3HZ LYS 81 -0.466 -2.694 -22.115 589 H VAL 82 H VAL 82 -1.179 -7.521 -16.349 590 HA VAL 82 HA VAL 82 -3.897 -6.556 -16.950 591 HB VAL 82 HB VAL 82 -3.014 -7.844 -14.357 592 1HG1 VAL 82 1HG1 VAL 82 -4.763 -6.191 -14.051 593 2HG1 VAL 82 2HG1 VAL 82 -5.407 -7.815 -13.810 594 3HG1 VAL 82 3HG1 VAL 82 -5.730 -6.952 -15.314 595 1HG2 VAL 82 1HG2 VAL 82 -3.115 -9.511 -16.132 596 2HG2 VAL 82 2HG2 VAL 82 -4.743 -8.979 -16.554 597 3HG2 VAL 82 3HG2 VAL 82 -4.440 -9.733 -14.988 598 H LYS 83 H LYS 83 -4.051 -4.462 -16.662 599 HA LYS 83 HA LYS 83 -2.053 -3.133 -14.985 600 1HB LYS 83 1HB LYS 83 -2.473 -1.135 -16.335 601 2HB LYS 83 2HB LYS 83 -1.984 -2.500 -17.326 602 1HG LYS 83 1HG LYS 83 -4.368 -2.876 -17.896 603 2HG LYS 83 2HG LYS 83 -4.771 -1.409 -17.002 604 1HD LYS 83 1HD LYS 83 -2.909 -1.565 -19.369 605 2HD LYS 83 2HD LYS 83 -4.577 -0.994 -19.412 606 1HE LYS 83 1HE LYS 83 -2.499 0.240 -17.631 607 2HE LYS 83 2HE LYS 83 -2.741 0.764 -19.296 608 1HZ LYS 83 1HZ LYS 83 -3.959 2.089 -17.619 609 2HZ LYS 83 2HZ LYS 83 -4.898 0.725 -17.255 610 3HZ LYS 83 3HZ LYS 83 -4.957 1.410 -18.803 611 H ASN 84 H ASN 84 -2.563 -1.462 -13.660 612 HA ASN 84 HA ASN 84 -3.769 -0.016 -12.372 613 1HB ASN 84 1HB ASN 84 -5.906 -0.792 -14.330 614 2HB ASN 84 2HB ASN 84 -6.326 0.134 -12.895 615 1HD2 ASN 84 1HD2 ASN 84 -3.313 0.428 -14.660 616 2HD2 ASN 84 2HD2 ASN 84 -3.599 2.037 -15.218 617 H ILE 85 H ILE 85 -3.205 -2.663 -11.411 618 HA ILE 85 HA ILE 85 -5.416 -3.964 -10.329 619 HB ILE 85 HB ILE 85 -3.750 -5.067 -8.952 620 1HG1 ILE 85 1HG1 ILE 85 -1.799 -2.986 -9.981 621 2HG1 ILE 85 2HG1 ILE 85 -2.504 -2.970 -8.369 622 1HG2 ILE 85 1HG2 ILE 85 -2.263 -5.885 -10.706 623 2HG2 ILE 85 2HG2 ILE 85 -2.683 -4.503 -11.718 624 3HG2 ILE 85 3HG2 ILE 85 -3.910 -5.706 -11.314 625 1HD1 ILE 85 1HD1 ILE 85 -0.717 -5.111 -9.493 626 2HD1 ILE 85 2HD1 ILE 85 -1.421 -5.092 -7.876 627 3HD1 ILE 85 3HD1 ILE 85 -0.251 -3.856 -8.343 628 H ARG 86 H ARG 86 -5.297 -4.391 -7.911 629 HA ARG 86 HA ARG 86 -5.090 -1.936 -6.296 630 1HB ARG 86 1HB ARG 86 -7.412 -2.254 -6.393 631 2HB ARG 86 2HB ARG 86 -7.270 -3.996 -6.482 632 1HG ARG 86 1HG ARG 86 -8.222 -3.440 -4.379 633 2HG ARG 86 2HG ARG 86 -6.573 -3.991 -4.090 634 1HD ARG 86 1HD ARG 86 -7.042 -2.063 -2.723 635 2HD ARG 86 2HD ARG 86 -5.843 -1.646 -3.947 636 HE ARG 86 HE ARG 86 -8.377 -1.003 -4.951 637 1HH1 ARG 86 1HH1 ARG 86 -6.205 -0.002 -2.399 638 2HH1 ARG 86 2HH1 ARG 86 -6.771 1.638 -2.369 639 1HH2 ARG 86 1HH2 ARG 86 -9.119 1.174 -4.946 640 2HH2 ARG 86 2HH2 ARG 86 -8.432 2.303 -3.816 641 H LEU 87 H LEU 87 -3.571 -2.255 -4.630 642 HA LEU 87 HA LEU 87 -2.760 -4.940 -3.999 643 1HB LEU 87 1HB LEU 87 -2.098 -2.326 -2.622 644 2HB LEU 87 2HB LEU 87 -1.301 -3.863 -2.351 645 HG LEU 87 HG LEU 87 -1.210 -2.247 -4.894 646 1HD1 LEU 87 1HD1 LEU 87 0.090 -1.273 -3.085 647 2HD1 LEU 87 2HD1 LEU 87 1.139 -1.934 -4.339 648 3HD1 LEU 87 3HD1 LEU 87 0.904 -2.817 -2.831 649 1HD2 LEU 87 1HD2 LEU 87 0.431 -3.891 -5.654 650 2HD2 LEU 87 2HD2 LEU 87 -1.145 -4.631 -5.375 651 3HD2 LEU 87 3HD2 LEU 87 0.149 -4.844 -4.196 652 H VAL 88 H VAL 88 -3.774 -6.169 -2.540 653 HA VAL 88 HA VAL 88 -6.118 -5.132 -1.298 654 HB VAL 88 HB VAL 88 -4.945 -7.814 -0.666 655 1HG1 VAL 88 1HG1 VAL 88 -7.269 -8.500 -0.592 656 2HG1 VAL 88 2HG1 VAL 88 -7.770 -6.871 -1.056 657 3HG1 VAL 88 3HG1 VAL 88 -6.975 -7.143 0.498 658 1HG2 VAL 88 1HG2 VAL 88 -4.714 -7.661 -3.051 659 2HG2 VAL 88 2HG2 VAL 88 -6.343 -7.001 -3.213 660 3HG2 VAL 88 3HG2 VAL 88 -6.113 -8.677 -2.700 661 H ASP 89 H ASP 89 -6.507 -4.623 0.754 662 HA ASP 89 HA ASP 89 -4.239 -3.687 2.214 663 1HB ASP 89 1HB ASP 89 -7.175 -3.574 2.683 664 2HB ASP 89 2HB ASP 89 -6.018 -2.918 3.827 665 H GLY 90 H GLY 90 -3.444 -5.870 2.599 666 1HA GLY 90 1HA GLY 90 -2.837 -6.232 5.130 667 2HA GLY 90 2HA GLY 90 -4.448 -6.936 5.143 668 H ASP 91 H ASP 91 -4.771 -8.592 3.309 669 HA ASP 91 HA ASP 91 -2.672 -10.548 3.592 670 1HB ASP 91 1HB ASP 91 -5.175 -11.073 3.570 671 2HB ASP 91 2HB ASP 91 -5.111 -10.806 1.830 672 H HIS 92 H HIS 92 -1.654 -11.577 1.738 673 HA HIS 92 HA HIS 92 -0.585 -9.399 0.154 674 1HB HIS 92 1HB HIS 92 0.312 -12.235 0.629 675 2HB HIS 92 2HB HIS 92 1.106 -11.181 -0.532 676 HD1 HIS 92 HD1 HIS 92 1.827 -12.413 2.564 677 HD2 HIS 92 HD2 HIS 92 1.571 -8.513 1.137 678 HE1 HIS 92 HE1 HIS 92 3.241 -11.027 4.115 679 HE2 HIS 92 HE2 HIS 92 3.255 -8.723 3.089 680 H ASP 93 H ASP 93 -3.225 -10.107 -0.900 681 HA ASP 93 HA ASP 93 -2.589 -11.594 -3.281 682 1HB ASP 93 1HB ASP 93 -5.139 -10.318 -2.339 683 2HB ASP 93 2HB ASP 93 -4.980 -11.371 -3.737 684 H ILE 94 H ILE 94 -3.267 -10.735 -5.342 685 HA ILE 94 HA ILE 94 -3.198 -7.791 -5.504 686 HB ILE 94 HB ILE 94 -2.565 -9.806 -7.652 687 1HG1 ILE 94 1HG1 ILE 94 -0.663 -7.936 -6.241 688 2HG1 ILE 94 2HG1 ILE 94 -0.939 -9.592 -5.708 689 1HG2 ILE 94 1HG2 ILE 94 -2.309 -6.800 -7.641 690 2HG2 ILE 94 2HG2 ILE 94 -3.488 -7.740 -8.556 691 3HG2 ILE 94 3HG2 ILE 94 -1.770 -7.872 -8.934 692 1HD1 ILE 94 1HD1 ILE 94 1.049 -9.427 -7.063 693 2HD1 ILE 94 2HD1 ILE 94 0.104 -8.749 -8.391 694 3HD1 ILE 94 3HD1 ILE 94 -0.183 -10.408 -7.859 695 H ASP 95 H ASP 95 -5.148 -6.939 -5.788 696 HA ASP 95 HA ASP 95 -7.183 -8.589 -7.034 697 1HB ASP 95 1HB ASP 95 -7.622 -7.380 -4.892 698 2HB ASP 95 2HB ASP 95 -7.474 -5.857 -5.760 699 H CYS 96 H CYS 96 -8.120 -8.142 -8.960 700 HA CYS 96 HA CYS 96 -7.188 -5.822 -10.440 701 1HB CYS 96 1HB CYS 96 -6.309 -7.186 -12.297 702 2HB CYS 96 2HB CYS 96 -5.397 -7.435 -10.811 703 HG CYS 96 HG CYS 96 -7.267 -9.773 -10.359 704 H LYS 97 H LYS 97 -8.251 -5.583 -12.485 705 HA LYS 97 HA LYS 97 -10.755 -7.085 -12.674 706 1HB LYS 97 1HB LYS 97 -11.658 -4.979 -13.809 707 2HB LYS 97 2HB LYS 97 -11.439 -4.918 -12.070 708 1HG LYS 97 1HG LYS 97 -10.639 -2.868 -12.780 709 2HG LYS 97 2HG LYS 97 -9.169 -3.826 -12.608 710 1HD LYS 97 1HD LYS 97 -9.117 -4.226 -14.999 711 2HD LYS 97 2HD LYS 97 -10.642 -3.361 -15.200 712 1HE LYS 97 1HE LYS 97 -8.081 -2.162 -14.155 713 2HE LYS 97 2HE LYS 97 -8.683 -1.995 -15.804 714 1HZ LYS 97 1HZ LYS 97 -9.850 -0.906 -13.311 715 2HZ LYS 97 2HZ LYS 97 -10.749 -1.030 -14.741 716 3HZ LYS 97 3HZ LYS 97 -9.355 -0.066 -14.700 717 H ILE 98 H ILE 98 -11.253 -7.953 -14.609 718 HA ILE 98 HA ILE 98 -9.262 -7.539 -16.735 719 HB ILE 98 HB ILE 98 -10.607 -10.133 -15.957 720 1HG1 ILE 98 1HG1 ILE 98 -7.653 -9.625 -15.963 721 2HG1 ILE 98 2HG1 ILE 98 -8.617 -9.054 -14.607 722 1HG2 ILE 98 1HG2 ILE 98 -8.589 -9.561 -18.130 723 2HG2 ILE 98 2HG2 ILE 98 -10.296 -9.919 -18.386 724 3HG2 ILE 98 3HG2 ILE 98 -9.230 -11.148 -17.702 725 1HD1 ILE 98 1HD1 ILE 98 -9.390 -11.330 -14.211 726 2HD1 ILE 98 2HD1 ILE 98 -7.634 -11.194 -14.119 727 3HD1 ILE 98 3HD1 ILE 98 -8.393 -11.897 -15.551 728 H ASP 99 H ASP 99 -10.198 -6.460 -18.273 729 HA ASP 99 HA ASP 99 -12.991 -6.190 -18.555 730 1HB ASP 99 1HB ASP 99 -10.733 -5.484 -20.434 731 2HB ASP 99 2HB ASP 99 -12.413 -5.018 -20.695 732 H GLY 100 H GLY 100 -14.241 -7.813 -19.114 733 1HA GLY 100 1HA GLY 100 -14.760 -8.930 -21.414 734 2HA GLY 100 2HA GLY 100 -13.261 -9.776 -21.058 735 H ILE 101 H ILE 101 -13.480 -10.198 -18.374 736 HA ILE 101 HA ILE 101 -15.860 -11.924 -18.216 737 HB ILE 101 HB ILE 101 -14.490 -13.412 -16.716 738 1HG1 ILE 101 1HG1 ILE 101 -12.191 -11.807 -17.864 739 2HG1 ILE 101 2HG1 ILE 101 -12.701 -11.806 -16.180 740 1HG2 ILE 101 1HG2 ILE 101 -13.594 -13.109 -19.577 741 2HG2 ILE 101 2HG2 ILE 101 -14.992 -14.021 -19.007 742 3HG2 ILE 101 3HG2 ILE 101 -13.363 -14.544 -18.578 743 1HD1 ILE 101 1HD1 ILE 101 -11.589 -14.156 -17.697 744 2HD1 ILE 101 2HD1 ILE 101 -12.121 -14.179 -16.015 745 3HD1 ILE 101 3HD1 ILE 101 -10.741 -13.189 -16.491 746 H GLY 102 H GLY 102 -13.574 -9.927 -16.392 747 1HA GLY 102 1HA GLY 102 -15.052 -8.369 -14.914 748 2HA GLY 102 2HA GLY 102 -15.468 -9.892 -14.143 749 H ALA 103 H ALA 103 -14.596 -9.084 -12.164 750 HA ALA 103 HA ALA 103 -11.759 -8.423 -12.098 751 1HB ALA 103 1HB ALA 103 -13.801 -8.453 -9.876 752 2HB ALA 103 2HB ALA 103 -13.321 -7.041 -10.819 753 3HB ALA 103 3HB ALA 103 -12.152 -7.837 -9.764 754 H MET 104 H MET 104 -10.242 -9.522 -10.804 755 HA MET 104 HA MET 104 -10.916 -12.111 -9.656 756 1HB MET 104 1HB MET 104 -10.694 -12.648 -12.036 757 2HB MET 104 2HB MET 104 -9.157 -11.807 -12.111 758 1HG MET 104 1HG MET 104 -8.097 -13.470 -10.780 759 2HG MET 104 2HG MET 104 -9.634 -14.249 -10.421 760 1HE MET 104 1HE MET 104 -6.971 -15.720 -11.552 761 2HE MET 104 2HE MET 104 -7.713 -16.841 -12.693 762 3HE MET 104 3HE MET 104 -8.458 -16.561 -11.119 763 H LYS 105 H LYS 105 -8.794 -13.161 -8.952 764 HA LYS 105 HA LYS 105 -7.019 -11.089 -7.917 765 1HB LYS 105 1HB LYS 105 -6.759 -12.501 -5.899 766 2HB LYS 105 2HB LYS 105 -8.349 -11.774 -6.098 767 1HG LYS 105 1HG LYS 105 -9.220 -13.859 -6.957 768 2HG LYS 105 2HG LYS 105 -7.619 -14.597 -6.807 769 1HD LYS 105 1HD LYS 105 -9.217 -13.409 -4.571 770 2HD LYS 105 2HD LYS 105 -9.064 -15.123 -4.933 771 1HE LYS 105 1HE LYS 105 -6.682 -15.057 -4.539 772 2HE LYS 105 2HE LYS 105 -6.737 -13.311 -4.327 773 1HZ LYS 105 1HZ LYS 105 -7.768 -15.409 -2.510 774 2HZ LYS 105 2HZ LYS 105 -8.242 -13.783 -2.372 775 3HZ LYS 105 3HZ LYS 105 -6.608 -14.209 -2.198 776 H LEU 106 H LEU 106 -4.856 -11.753 -7.554 777 HA LEU 106 HA LEU 106 -4.073 -14.045 -9.204 778 1HB LEU 106 1HB LEU 106 -2.723 -11.352 -9.141 779 2HB LEU 106 2HB LEU 106 -2.295 -12.717 -10.155 780 HG LEU 106 HG LEU 106 -4.941 -11.262 -10.346 781 1HD1 LEU 106 1HD1 LEU 106 -2.406 -10.937 -11.947 782 2HD1 LEU 106 2HD1 LEU 106 -3.127 -9.743 -10.865 783 3HD1 LEU 106 3HD1 LEU 106 -3.965 -10.214 -12.347 784 1HD2 LEU 106 1HD2 LEU 106 -5.101 -12.389 -12.499 785 2HD2 LEU 106 2HD2 LEU 106 -4.953 -13.561 -11.191 786 3HD2 LEU 106 3HD2 LEU 106 -3.560 -13.200 -12.213 787 H LYS 107 H LYS 107 -2.418 -15.180 -8.500 788 HA LYS 107 HA LYS 107 -1.607 -14.746 -5.765 789 1HB LYS 107 1HB LYS 107 -2.127 -17.042 -6.777 790 2HB LYS 107 2HB LYS 107 -0.539 -16.941 -7.530 791 1HG LYS 107 1HG LYS 107 0.529 -16.793 -5.383 792 2HG LYS 107 2HG LYS 107 -1.033 -16.712 -4.569 793 1HD LYS 107 1HD LYS 107 -1.532 -18.981 -5.514 794 2HD LYS 107 2HD LYS 107 0.144 -19.043 -6.069 795 1HE LYS 107 1HE LYS 107 0.887 -18.697 -3.736 796 2HE LYS 107 2HE LYS 107 -0.797 -18.758 -3.217 797 1HZ LYS 107 1HZ LYS 107 0.235 -20.890 -2.901 798 2HZ LYS 107 2HZ LYS 107 0.731 -20.945 -4.519 799 3HZ LYS 107 3HZ LYS 107 -0.922 -21.021 -4.137 800 H SER 108 H SER 108 -0.006 -13.577 -5.202 801 HA SER 108 HA SER 108 1.634 -12.141 -6.852 802 1HB SER 108 1HB SER 108 3.084 -12.115 -4.625 803 2HB SER 108 2HB SER 108 1.522 -11.299 -4.724 804 HG SER 108 HG SER 108 0.988 -12.534 -3.113 805 H GLU 109 H GLU 109 2.227 -15.301 -5.401 806 HA GLU 109 HA GLU 109 4.933 -15.482 -6.132 807 1HB GLU 109 1HB GLU 109 3.010 -17.756 -5.649 808 2HB GLU 109 2HB GLU 109 4.763 -17.820 -5.538 809 1HG GLU 109 1HG GLU 109 4.605 -16.140 -3.682 810 2HG GLU 109 2HG GLU 109 2.858 -16.369 -3.723 811 H PHE 110 H PHE 110 2.182 -15.587 -8.137 812 HA PHE 110 HA PHE 110 3.739 -17.079 -10.138 813 1HB PHE 110 1HB PHE 110 0.795 -16.656 -9.760 814 2HB PHE 110 2HB PHE 110 1.446 -17.181 -11.302 815 HD1 PHE 110 HD1 PHE 110 2.433 -19.391 -11.544 816 HD2 PHE 110 HD2 PHE 110 0.770 -18.118 -7.843 817 HE1 PHE 110 HE1 PHE 110 2.411 -21.720 -10.758 818 HE2 PHE 110 HE2 PHE 110 0.746 -20.445 -7.050 819 HZ PHE 110 HZ PHE 110 1.567 -22.251 -8.509 820 H VAL 111 H VAL 111 3.156 -13.947 -9.273 821 HA VAL 111 HA VAL 111 2.941 -13.083 -12.082 822 HB VAL 111 HB VAL 111 1.865 -11.007 -11.312 823 1HG1 VAL 111 1HG1 VAL 111 -0.292 -11.992 -10.676 824 2HG1 VAL 111 2HG1 VAL 111 0.509 -13.530 -10.353 825 3HG1 VAL 111 3HG1 VAL 111 0.466 -12.885 -11.995 826 1HG2 VAL 111 1HG2 VAL 111 1.100 -10.836 -9.014 827 2HG2 VAL 111 2HG2 VAL 111 2.857 -10.927 -9.093 828 3HG2 VAL 111 3HG2 VAL 111 1.918 -12.343 -8.617 829 H ARG 112 H ARG 112 3.675 -10.747 -12.343 830 HA ARG 112 HA ARG 112 6.060 -10.126 -10.794 831 1HB ARG 112 1HB ARG 112 7.194 -11.254 -12.444 832 2HB ARG 112 2HB ARG 112 5.987 -10.895 -13.671 833 1HG ARG 112 1HG ARG 112 6.846 -8.776 -14.073 834 2HG ARG 112 2HG ARG 112 7.729 -8.735 -12.546 835 1HD ARG 112 1HD ARG 112 9.292 -10.365 -13.349 836 2HD ARG 112 2HD ARG 112 8.346 -10.610 -14.807 837 HE ARG 112 HE ARG 112 9.535 -7.987 -14.219 838 1HH1 ARG 112 1HH1 ARG 112 9.322 -10.826 -16.268 839 2HH1 ARG 112 2HH1 ARG 112 10.103 -10.062 -17.625 840 1HH2 ARG 112 1HH2 ARG 112 10.572 -6.986 -15.989 841 2HH2 ARG 112 2HH2 ARG 112 10.811 -7.872 -17.463 842 H LYS 113 H LYS 113 6.363 -8.019 -10.538 843 HA LYS 113 HA LYS 113 4.470 -6.135 -11.450 844 1HB LYS 113 1HB LYS 113 5.731 -5.924 -9.338 845 2HB LYS 113 2HB LYS 113 7.207 -5.679 -10.263 846 1HG LYS 113 1HG LYS 113 5.703 -3.777 -11.364 847 2HG LYS 113 2HG LYS 113 4.950 -3.850 -9.769 848 1HD LYS 113 1HD LYS 113 6.902 -3.235 -8.682 849 2HD LYS 113 2HD LYS 113 7.922 -3.700 -10.050 850 1HE LYS 113 1HE LYS 113 7.887 -1.375 -10.118 851 2HE LYS 113 2HE LYS 113 6.731 -1.868 -11.337 852 1HZ LYS 113 1HZ LYS 113 5.903 -0.037 -9.977 853 2HZ LYS 113 2HZ LYS 113 6.030 -0.996 -8.587 854 3HZ LYS 113 3HZ LYS 113 4.937 -1.423 -9.819 855 H VAL 114 H VAL 114 4.499 -4.821 -13.150 856 HA VAL 114 HA VAL 114 6.693 -5.045 -15.065 857 HB VAL 114 HB VAL 114 4.053 -3.599 -15.388 858 1HG1 VAL 114 1HG1 VAL 114 6.157 -4.367 -17.409 859 2HG1 VAL 114 2HG1 VAL 114 5.778 -2.733 -16.864 860 3HG1 VAL 114 3HG1 VAL 114 4.588 -3.655 -17.785 861 1HG2 VAL 114 1HG2 VAL 114 3.713 -5.992 -15.093 862 2HG2 VAL 114 2HG2 VAL 114 4.888 -6.326 -16.364 863 3HG2 VAL 114 3HG2 VAL 114 3.375 -5.508 -16.754 864 H GLY 115 H GLY 115 4.739 -2.435 -13.612 865 1HA GLY 115 1HA GLY 115 5.730 -0.533 -12.552 866 2HA GLY 115 2HA GLY 115 7.174 -0.785 -13.522 867 H SER 116 H SER 116 3.879 -0.812 -14.748 868 HA SER 116 HA SER 116 4.460 1.712 -16.148 869 1HB SER 116 1HB SER 116 2.869 -0.633 -17.222 870 2HB SER 116 2HB SER 116 3.201 0.878 -18.071 871 HG SER 116 HG SER 116 5.507 -0.148 -17.210 Start of MODEL 5 1 H MET 1 H MET 1 0.368 15.752 27.584 2 HA MET 1 HA MET 1 1.377 13.905 26.554 3 1HB MET 1 1HB MET 1 1.412 11.691 27.817 4 2HB MET 1 2HB MET 1 2.614 12.885 28.282 5 1HG MET 1 1HG MET 1 1.905 12.863 30.374 6 2HG MET 1 2HG MET 1 0.259 13.231 29.870 7 1HE MET 1 1HE MET 1 -1.675 11.571 29.845 8 2HE MET 1 2HE MET 1 -1.468 9.832 29.622 9 3HE MET 1 3HE MET 1 -0.929 10.953 28.370 10 H VAL 2 H VAL 2 -1.362 14.975 27.456 11 HA VAL 2 HA VAL 2 -3.061 12.653 27.264 12 HB VAL 2 HB VAL 2 -3.566 14.608 28.758 13 1HG1 VAL 2 1HG1 VAL 2 -4.613 16.590 27.777 14 2HG1 VAL 2 2HG1 VAL 2 -4.246 15.980 26.163 15 3HG1 VAL 2 3HG1 VAL 2 -2.936 16.408 27.264 16 1HG2 VAL 2 1HG2 VAL 2 -5.979 14.624 28.310 17 2HG2 VAL 2 2HG2 VAL 2 -5.295 13.002 28.216 18 3HG2 VAL 2 3HG2 VAL 2 -5.682 13.881 26.738 19 H SER 3 H SER 3 -1.370 14.202 25.046 20 HA SER 3 HA SER 3 -3.221 14.856 23.020 21 1HB SER 3 1HB SER 3 -0.373 13.963 22.593 22 2HB SER 3 2HB SER 3 -1.333 15.028 21.571 23 HG SER 3 HG SER 3 -1.336 16.556 23.266 24 H THR 4 H THR 4 -4.092 13.696 21.404 25 HA THR 4 HA THR 4 -3.766 10.773 21.542 26 HB THR 4 HB THR 4 -6.047 11.584 21.894 27 HG1 THR 4 HG1 THR 4 -5.479 10.179 19.508 28 1HG2 THR 4 1HG2 THR 4 -5.838 13.698 20.667 29 2HG2 THR 4 2HG2 THR 4 -7.263 12.787 20.160 30 3HG2 THR 4 3HG2 THR 4 -5.820 12.807 19.144 31 H LEU 5 H LEU 5 -2.127 12.902 20.132 32 HA LEU 5 HA LEU 5 -2.620 12.636 17.331 33 1HB LEU 5 1HB LEU 5 -0.061 13.628 18.568 34 2HB LEU 5 2HB LEU 5 -0.778 14.072 17.030 35 HG LEU 5 HG LEU 5 -2.019 14.761 19.689 36 1HD1 LEU 5 1HD1 LEU 5 -0.245 16.431 17.923 37 2HD1 LEU 5 2HD1 LEU 5 0.157 15.812 19.524 38 3HD1 LEU 5 3HD1 LEU 5 -1.126 17.007 19.336 39 1HD2 LEU 5 1HD2 LEU 5 -3.571 14.723 17.808 40 2HD2 LEU 5 2HD2 LEU 5 -2.503 15.789 16.895 41 3HD2 LEU 5 3HD2 LEU 5 -3.288 16.374 18.360 42 HA PRO 6 HA PRO 6 -0.091 9.065 16.490 43 1HB PRO 6 1HB PRO 6 0.567 9.589 13.918 44 2HB PRO 6 2HB PRO 6 -1.062 9.087 14.389 45 1HG PRO 6 1HG PRO 6 -0.010 11.836 13.832 46 2HG PRO 6 2HG PRO 6 -1.531 11.096 13.301 47 1HD PRO 6 1HD PRO 6 -1.396 12.796 15.399 48 2HD PRO 6 2HD PRO 6 -2.563 11.462 15.329 49 HA PRO 7 HA PRO 7 4.202 10.264 16.906 50 1HB PRO 7 1HB PRO 7 5.375 8.282 15.380 51 2HB PRO 7 2HB PRO 7 4.923 8.104 17.075 52 1HG PRO 7 1HG PRO 7 3.521 7.175 14.619 53 2HG PRO 7 2HG PRO 7 3.612 6.415 16.217 54 1HD PRO 7 1HD PRO 7 1.416 7.739 15.323 55 2HD PRO 7 2HD PRO 7 1.860 7.649 17.039 56 H CYS 8 H CYS 8 6.229 10.116 15.256 57 HA CYS 8 HA CYS 8 5.468 11.846 13.031 58 1HB CYS 8 1HB CYS 8 7.086 12.893 14.369 59 2HB CYS 8 2HB CYS 8 7.989 11.403 14.602 60 HA PRO 9 HA PRO 9 6.199 8.405 10.276 61 1HB PRO 9 1HB PRO 9 6.147 9.789 7.942 62 2HB PRO 9 2HB PRO 9 4.684 9.396 8.854 63 1HG PRO 9 1HG PRO 9 6.257 11.947 8.811 64 2HG PRO 9 2HG PRO 9 4.500 11.718 8.722 65 1HD PRO 9 1HD PRO 9 5.721 12.412 11.014 66 2HD PRO 9 2HD PRO 9 4.304 11.344 10.996 67 H GLN 10 H GLN 10 8.344 10.616 11.221 68 HA GLN 10 HA GLN 10 10.396 9.738 9.318 69 1HB GLN 10 1HB GLN 10 10.339 12.313 10.892 70 2HB GLN 10 2HB GLN 10 11.602 11.812 9.774 71 1HG GLN 10 1HG GLN 10 10.035 11.889 7.930 72 2HG GLN 10 2HG GLN 10 8.734 12.316 9.040 73 1HE2 GLN 10 1HE2 GLN 10 8.685 14.362 9.938 74 2HE2 GLN 10 2HE2 GLN 10 9.598 15.669 9.293 75 H CYS 11 H CYS 11 9.645 10.434 12.779 76 HA CYS 11 HA CYS 11 12.170 9.174 13.516 77 1HB CYS 11 1HB CYS 11 10.226 10.801 15.179 78 2HB CYS 11 2HB CYS 11 11.805 10.228 15.693 79 H ASN 12 H ASN 12 8.696 9.263 14.128 80 HA ASN 12 HA ASN 12 7.175 7.777 14.886 81 1HB ASN 12 1HB ASN 12 8.458 6.244 13.323 82 2HB ASN 12 2HB ASN 12 9.291 5.636 14.751 83 1HD2 ASN 12 1HD2 ASN 12 8.474 3.576 14.546 84 2HD2 ASN 12 2HD2 ASN 12 6.813 3.197 14.867 85 H SER 13 H SER 13 9.889 8.560 16.505 86 HA SER 13 HA SER 13 9.971 7.064 18.814 87 1HB SER 13 1HB SER 13 10.367 10.057 18.723 88 2HB SER 13 2HB SER 13 11.094 8.915 19.853 89 HG SER 13 HG SER 13 12.233 9.741 17.755 90 H GLU 14 H GLU 14 8.589 10.330 18.951 91 HA GLU 14 HA GLU 14 5.998 9.938 19.621 92 1HB GLU 14 1HB GLU 14 5.832 9.820 22.039 93 2HB GLU 14 2HB GLU 14 6.707 8.425 21.429 94 1HG GLU 14 1HG GLU 14 8.813 9.415 22.111 95 2HG GLU 14 2HG GLU 14 7.971 10.864 22.661 96 H TYR 15 H TYR 15 8.731 11.865 19.592 97 HA TYR 15 HA TYR 15 7.787 13.940 21.331 98 1HB TYR 15 1HB TYR 15 10.182 13.693 19.522 99 2HB TYR 15 2HB TYR 15 9.805 15.186 20.379 100 HD1 TYR 15 HD1 TYR 15 11.467 12.055 20.581 101 HD2 TYR 15 HD2 TYR 15 9.493 14.994 22.940 102 HE1 TYR 15 HE1 TYR 15 12.596 11.195 22.591 103 HE2 TYR 15 HE2 TYR 15 10.617 14.145 24.952 104 HH TYR 15 HH TYR 15 13.218 11.922 24.825 105 H THR 16 H THR 16 5.963 13.343 19.315 106 HA THR 16 HA THR 16 6.009 15.750 17.651 107 HB THR 16 HB THR 16 3.978 13.526 17.517 108 HG1 THR 16 HG1 THR 16 6.650 13.388 17.025 109 1HG2 THR 16 1HG2 THR 16 3.577 15.578 16.211 110 2HG2 THR 16 2HG2 THR 16 3.863 14.182 15.173 111 3HG2 THR 16 3HG2 THR 16 5.145 15.365 15.430 112 H TYR 17 H TYR 17 4.189 17.202 17.724 113 HA TYR 17 HA TYR 17 2.246 16.864 19.837 114 1HB TYR 17 1HB TYR 17 2.792 18.885 21.025 115 2HB TYR 17 2HB TYR 17 4.258 17.919 20.938 116 HD1 TYR 17 HD1 TYR 17 6.130 18.635 19.440 117 HD2 TYR 17 HD2 TYR 17 2.638 21.020 19.963 118 HE1 TYR 17 HE1 TYR 17 7.308 20.567 18.496 119 HE2 TYR 17 HE2 TYR 17 3.813 22.956 19.015 120 HH TYR 17 HH TYR 17 6.046 23.762 18.627 121 H GLU 18 H GLU 18 0.774 18.991 19.796 122 HA GLU 18 HA GLU 18 0.366 19.585 16.960 123 1HB GLU 18 1HB GLU 18 -1.944 20.253 17.786 124 2HB GLU 18 2HB GLU 18 -1.548 18.543 17.885 125 1HG GLU 18 1HG GLU 18 -0.990 18.841 20.268 126 2HG GLU 18 2HG GLU 18 -1.486 20.528 20.146 127 H ASP 19 H ASP 19 1.084 21.525 16.306 128 HA ASP 19 HA ASP 19 0.799 23.783 18.157 129 1HB ASP 19 1HB ASP 19 3.152 23.197 17.401 130 2HB ASP 19 2HB ASP 19 2.655 23.665 15.779 131 H GLY 20 H GLY 20 -1.445 23.885 17.438 132 1HA GLY 20 1HA GLY 20 -2.794 25.487 16.335 133 2HA GLY 20 2HA GLY 20 -1.603 25.560 15.047 134 H ALA 21 H ALA 21 -1.912 24.402 13.262 135 HA ALA 21 HA ALA 21 -4.410 22.829 13.179 136 1HB ALA 21 1HB ALA 21 -4.497 24.951 11.964 137 2HB ALA 21 2HB ALA 21 -4.665 23.569 10.883 138 3HB ALA 21 3HB ALA 21 -3.131 24.434 10.976 139 H LEU 22 H LEU 22 -1.484 21.969 13.538 140 HA LEU 22 HA LEU 22 -1.660 19.682 11.826 141 1HB LEU 22 1HB LEU 22 0.238 19.958 10.504 142 2HB LEU 22 2HB LEU 22 -0.562 21.514 10.421 143 HG LEU 22 HG LEU 22 1.770 20.917 12.240 144 1HD1 LEU 22 1HD1 LEU 22 3.080 22.214 10.601 145 2HD1 LEU 22 2HD1 LEU 22 1.686 22.195 9.522 146 3HD1 LEU 22 3HD1 LEU 22 2.482 20.681 9.962 147 1HD2 LEU 22 1HD2 LEU 22 0.469 23.513 11.413 148 2HD2 LEU 22 2HD2 LEU 22 1.941 23.368 12.373 149 3HD2 LEU 22 3HD2 LEU 22 0.409 22.775 13.015 150 H LEU 23 H LEU 23 0.662 18.496 12.076 151 HA LEU 23 HA LEU 23 1.296 18.540 14.944 152 1HB LEU 23 1HB LEU 23 2.023 16.334 13.032 153 2HB LEU 23 2HB LEU 23 1.931 16.274 14.780 154 HG LEU 23 HG LEU 23 -0.412 16.449 12.886 155 1HD1 LEU 23 1HD1 LEU 23 0.567 14.223 14.661 156 2HD1 LEU 23 2HD1 LEU 23 0.658 14.269 12.900 157 3HD1 LEU 23 3HD1 LEU 23 -0.912 14.201 13.701 158 1HD2 LEU 23 1HD2 LEU 23 -0.385 16.218 15.891 159 2HD2 LEU 23 2HD2 LEU 23 -1.811 16.194 14.852 160 3HD2 LEU 23 3HD2 LEU 23 -0.834 17.658 14.978 161 H VAL 24 H VAL 24 3.339 19.113 15.544 162 HA VAL 24 HA VAL 24 5.314 19.536 13.408 163 HB VAL 24 HB VAL 24 5.023 21.054 16.009 164 1HG1 VAL 24 1HG1 VAL 24 6.691 22.567 15.055 165 2HG1 VAL 24 2HG1 VAL 24 6.827 21.521 13.641 166 3HG1 VAL 24 3HG1 VAL 24 7.317 20.926 15.229 167 1HG2 VAL 24 1HG2 VAL 24 4.317 21.897 13.205 168 2HG2 VAL 24 2HG2 VAL 24 4.279 22.933 14.632 169 3HG2 VAL 24 3HG2 VAL 24 3.184 21.554 14.513 170 H CYS 25 H CYS 25 7.195 18.381 13.656 171 HA CYS 25 HA CYS 25 7.583 17.045 16.232 172 1HB CYS 25 1HB CYS 25 7.439 15.627 14.202 173 2HB CYS 25 2HB CYS 25 8.828 16.480 13.536 174 HA PRO 26 HA PRO 26 10.882 20.119 16.656 175 1HB PRO 26 1HB PRO 26 11.285 19.633 19.300 176 2HB PRO 26 2HB PRO 26 10.013 20.703 18.701 177 1HG PRO 26 1HG PRO 26 9.832 17.859 19.601 178 2HG PRO 26 2HG PRO 26 8.721 19.207 19.910 179 1HD PRO 26 1HD PRO 26 8.250 17.314 18.024 180 2HD PRO 26 2HD PRO 26 7.690 18.992 17.866 181 H GLU 27 H GLU 27 10.672 16.763 17.013 182 HA GLU 27 HA GLU 27 13.283 16.173 17.929 183 1HB GLU 27 1HB GLU 27 11.169 14.674 17.883 184 2HB GLU 27 2HB GLU 27 11.632 14.324 16.224 185 1HG GLU 27 1HG GLU 27 13.803 13.506 17.024 186 2HG GLU 27 2HG GLU 27 13.290 13.813 18.681 187 H CYS 28 H CYS 28 11.881 15.763 14.588 188 HA CYS 28 HA CYS 28 14.603 16.030 13.594 189 1HB CYS 28 1HB CYS 28 13.660 15.232 11.445 190 2HB CYS 28 2HB CYS 28 13.401 14.109 12.774 191 H ALA 29 H ALA 29 12.521 18.337 14.408 192 HA ALA 29 HA ALA 29 12.336 20.482 13.836 193 1HB ALA 29 1HB ALA 29 14.090 21.500 12.517 194 2HB ALA 29 2HB ALA 29 14.601 19.916 11.934 195 3HB ALA 29 3HB ALA 29 14.770 20.325 13.641 196 H HIS 30 H HIS 30 10.769 18.477 12.302 197 HA HIS 30 HA HIS 30 10.002 20.308 10.149 198 1HB HIS 30 1HB HIS 30 11.473 18.282 9.353 199 2HB HIS 30 2HB HIS 30 9.995 17.364 9.585 200 HD1 HIS 30 HD1 HIS 30 7.889 18.160 8.083 201 HD2 HIS 30 HD2 HIS 30 11.605 19.703 7.015 202 HE1 HIS 30 HE1 HIS 30 7.624 19.009 5.735 203 HE2 HIS 30 HE2 HIS 30 9.839 20.053 5.152 204 H GLU 31 H GLU 31 7.826 20.372 9.751 205 HA GLU 31 HA GLU 31 6.151 18.910 11.656 206 1HB GLU 31 1HB GLU 31 4.419 20.628 10.579 207 2HB GLU 31 2HB GLU 31 5.477 21.064 11.909 208 1HG GLU 31 1HG GLU 31 5.367 22.779 10.151 209 2HG GLU 31 2HG GLU 31 6.996 22.166 10.417 210 H TRP 32 H TRP 32 3.811 18.565 10.665 211 HA TRP 32 HA TRP 32 3.581 17.887 7.925 212 1HB TRP 32 1HB TRP 32 3.940 15.619 7.842 213 2HB TRP 32 2HB TRP 32 5.124 16.055 9.065 214 HD1 TRP 32 HD1 TRP 32 3.783 15.973 11.716 215 HE1 TRP 32 HE1 TRP 32 2.542 13.909 12.647 216 HE3 TRP 32 HE3 TRP 32 2.835 13.556 7.321 217 HZ2 TRP 32 HZ2 TRP 32 1.330 11.575 11.642 218 HZ3 TRP 32 HZ3 TRP 32 1.636 11.411 7.391 219 HH2 TRP 32 HH2 TRP 32 0.897 10.442 9.507 220 H SER 33 H SER 33 1.491 16.855 7.492 221 HA SER 33 HA SER 33 -0.353 17.061 9.773 222 1HB SER 33 1HB SER 33 -0.532 18.743 7.759 223 2HB SER 33 2HB SER 33 -1.295 17.377 6.946 224 HG SER 33 HG SER 33 -3.027 17.637 8.139 225 HA PRO 34 HA PRO 34 -0.589 12.740 9.484 226 1HB PRO 34 1HB PRO 34 -3.207 12.391 10.354 227 2HB PRO 34 2HB PRO 34 -1.793 12.580 11.395 228 1HG PRO 34 1HG PRO 34 -3.809 14.611 10.548 229 2HG PRO 34 2HG PRO 34 -3.008 14.408 12.116 230 1HD PRO 34 1HD PRO 34 -2.259 16.323 10.404 231 2HD PRO 34 2HD PRO 34 -1.071 15.455 11.394 232 H ASN 35 H ASN 35 -3.554 14.322 8.301 233 HA ASN 35 HA ASN 35 -3.804 12.168 6.319 234 1HB ASN 35 1HB ASN 35 -5.795 12.278 7.544 235 2HB ASN 35 2HB ASN 35 -5.771 14.034 7.612 236 1HD2 ASN 35 1HD2 ASN 35 -6.652 15.203 6.014 237 2HD2 ASN 35 2HD2 ASN 35 -7.519 14.509 4.684 238 H GLU 36 H GLU 36 -3.426 15.586 6.728 239 HA GLU 36 HA GLU 36 -4.086 16.259 4.024 240 1HB GLU 36 1HB GLU 36 -2.794 17.888 6.213 241 2HB GLU 36 2HB GLU 36 -3.250 18.528 4.645 242 1HG GLU 36 1HG GLU 36 -4.899 19.088 6.325 243 2HG GLU 36 2HG GLU 36 -5.589 18.016 5.109 244 H ALA 37 H ALA 37 -1.387 14.802 5.325 245 HA ALA 37 HA ALA 37 0.657 16.034 3.793 246 1HB ALA 37 1HB ALA 37 1.218 14.595 5.664 247 2HB ALA 37 2HB ALA 37 1.939 13.965 4.181 248 3HB ALA 37 3HB ALA 37 0.491 13.209 4.849 249 H ALA 38 H ALA 38 -1.284 13.088 3.223 250 HA ALA 38 HA ALA 38 -0.516 13.009 0.437 251 1HB ALA 38 1HB ALA 38 -0.996 10.935 1.646 252 2HB ALA 38 2HB ALA 38 -2.082 11.138 0.270 253 3HB ALA 38 3HB ALA 38 -2.656 11.468 1.905 254 H THR 39 H THR 39 -3.176 14.139 2.382 255 HA THR 39 HA THR 39 -4.833 15.627 2.006 256 HB THR 39 HB THR 39 -3.765 16.176 -0.759 257 HG1 THR 39 HG1 THR 39 -2.564 16.633 1.692 258 1HG2 THR 39 1HG2 THR 39 -4.616 18.423 -0.301 259 2HG2 THR 39 2HG2 THR 39 -5.130 17.907 1.305 260 3HG2 THR 39 3HG2 THR 39 -5.893 17.218 -0.129 261 H ALA 40 H ALA 40 -4.469 14.734 -1.390 262 HA ALA 40 HA ALA 40 -6.424 12.812 -1.693 263 1HB ALA 40 1HB ALA 40 -8.384 14.107 -2.429 264 2HB ALA 40 2HB ALA 40 -7.573 15.600 -1.956 265 3HB ALA 40 3HB ALA 40 -8.016 14.411 -0.731 266 H SER 41 H SER 41 -4.101 13.135 -2.880 267 HA SER 41 HA SER 41 -4.065 14.825 -5.153 268 1HB SER 41 1HB SER 41 -2.036 13.322 -5.736 269 2HB SER 41 2HB SER 41 -1.959 14.312 -4.278 270 HG SER 41 HG SER 41 -2.676 11.560 -4.396 271 H ASP 42 H ASP 42 -5.913 14.376 -6.337 272 HA ASP 42 HA ASP 42 -7.040 13.537 -8.110 273 1HB ASP 42 1HB ASP 42 -4.631 13.172 -8.959 274 2HB ASP 42 2HB ASP 42 -4.873 11.484 -8.526 275 H ASP 43 H ASP 43 -7.844 11.250 -9.009 276 HA ASP 43 HA ASP 43 -8.668 9.729 -6.625 277 1HB ASP 43 1HB ASP 43 -10.093 10.234 -9.238 278 2HB ASP 43 2HB ASP 43 -10.614 9.002 -8.094 279 H GLY 44 H GLY 44 -6.973 9.592 -9.573 280 1HA GLY 44 1HA GLY 44 -5.662 7.841 -10.367 281 2HA GLY 44 2HA GLY 44 -6.398 6.780 -9.174 282 H LYS 45 H LYS 45 -7.538 8.705 -11.946 283 HA LYS 45 HA LYS 45 -9.463 6.662 -12.615 284 1HB LYS 45 1HB LYS 45 -8.778 9.240 -14.042 285 2HB LYS 45 2HB LYS 45 -10.139 8.195 -14.421 286 1HG LYS 45 1HG LYS 45 -11.114 9.852 -13.157 287 2HG LYS 45 2HG LYS 45 -10.826 8.591 -11.962 288 1HD LYS 45 1HD LYS 45 -10.163 10.660 -10.987 289 2HD LYS 45 2HD LYS 45 -8.690 9.770 -11.377 290 1HE LYS 45 1HE LYS 45 -8.400 12.068 -12.012 291 2HE LYS 45 2HE LYS 45 -8.509 11.086 -13.472 292 1HZ LYS 45 1HZ LYS 45 -9.808 13.158 -13.582 293 2HZ LYS 45 2HZ LYS 45 -10.774 12.609 -12.302 294 3HZ LYS 45 3HZ LYS 45 -10.768 11.773 -13.781 295 H VAL 46 H VAL 46 -6.449 7.947 -13.909 296 HA VAL 46 HA VAL 46 -6.481 5.975 -16.043 297 HB VAL 46 HB VAL 46 -5.572 8.227 -16.501 298 1HG1 VAL 46 1HG1 VAL 46 -3.364 8.867 -15.657 299 2HG1 VAL 46 2HG1 VAL 46 -3.373 7.458 -14.596 300 3HG1 VAL 46 3HG1 VAL 46 -4.559 8.744 -14.366 301 1HG2 VAL 46 1HG2 VAL 46 -3.580 5.986 -16.749 302 2HG2 VAL 46 2HG2 VAL 46 -3.547 7.491 -17.669 303 3HG2 VAL 46 3HG2 VAL 46 -4.887 6.363 -17.873 304 H ILE 47 H ILE 47 -5.502 4.037 -15.936 305 HA ILE 47 HA ILE 47 -4.800 3.209 -13.274 306 HB ILE 47 HB ILE 47 -4.550 1.411 -15.658 307 1HG1 ILE 47 1HG1 ILE 47 -6.683 2.615 -15.952 308 2HG1 ILE 47 2HG1 ILE 47 -6.957 0.929 -15.534 309 1HG2 ILE 47 1HG2 ILE 47 -5.354 -0.265 -14.040 310 2HG2 ILE 47 2HG2 ILE 47 -5.455 0.991 -12.807 311 3HG2 ILE 47 3HG2 ILE 47 -3.889 0.544 -13.483 312 1HD1 ILE 47 1HD1 ILE 47 -7.105 3.216 -13.582 313 2HD1 ILE 47 2HD1 ILE 47 -7.537 1.528 -13.283 314 3HD1 ILE 47 3HD1 ILE 47 -8.489 2.498 -14.407 315 H LYS 48 H LYS 48 -2.878 2.597 -12.498 316 HA LYS 48 HA LYS 48 -0.509 2.968 -14.189 317 1HB LYS 48 1HB LYS 48 -1.355 4.510 -11.967 318 2HB LYS 48 2HB LYS 48 0.049 3.586 -11.445 319 1HG LYS 48 1HG LYS 48 1.456 4.614 -12.934 320 2HG LYS 48 2HG LYS 48 0.149 5.027 -14.045 321 1HD LYS 48 1HD LYS 48 0.490 6.278 -11.323 322 2HD LYS 48 2HD LYS 48 1.117 6.980 -12.817 323 1HE LYS 48 1HE LYS 48 -1.169 7.031 -13.732 324 2HE LYS 48 2HE LYS 48 -1.778 6.375 -12.212 325 1HZ LYS 48 1HZ LYS 48 -2.067 8.742 -12.222 326 2HZ LYS 48 2HZ LYS 48 -0.433 8.996 -12.596 327 3HZ LYS 48 3HZ LYS 48 -0.864 8.356 -11.087 328 H ASP 49 H ASP 49 1.505 2.089 -12.831 329 HA ASP 49 HA ASP 49 0.745 -0.644 -12.000 330 1HB ASP 49 1HB ASP 49 3.354 0.309 -13.196 331 2HB ASP 49 2HB ASP 49 2.973 -1.348 -12.750 332 H SER 50 H SER 50 2.592 -1.708 -10.744 333 HA SER 50 HA SER 50 3.265 -0.137 -8.398 334 1HB SER 50 1HB SER 50 2.646 -2.518 -8.193 335 2HB SER 50 2HB SER 50 4.035 -2.965 -9.183 336 HG SER 50 HG SER 50 3.991 -1.889 -6.565 337 H VAL 51 H VAL 51 4.459 -0.547 -11.387 338 HA VAL 51 HA VAL 51 7.310 -0.313 -10.759 339 HB VAL 51 HB VAL 51 6.139 -0.119 -13.508 340 1HG1 VAL 51 1HG1 VAL 51 8.248 -1.275 -14.108 341 2HG1 VAL 51 2HG1 VAL 51 8.740 -1.148 -12.418 342 3HG1 VAL 51 3HG1 VAL 51 8.474 0.314 -13.371 343 1HG2 VAL 51 1HG2 VAL 51 5.068 -2.025 -12.494 344 2HG2 VAL 51 2HG2 VAL 51 6.634 -2.657 -11.980 345 3HG2 VAL 51 3HG2 VAL 51 6.245 -2.547 -13.698 346 H GLY 52 H GLY 52 4.604 1.557 -11.415 347 1HA GLY 52 1HA GLY 52 4.568 3.895 -10.986 348 2HA GLY 52 2HA GLY 52 6.244 3.982 -11.511 349 H ASN 53 H ASN 53 4.761 2.012 -13.693 350 HA ASN 53 HA ASN 53 4.661 4.169 -15.612 351 1HB ASN 53 1HB ASN 53 3.633 1.683 -16.683 352 2HB ASN 53 2HB ASN 53 5.049 2.623 -17.169 353 1HD2 ASN 53 1HD2 ASN 53 3.823 0.081 -15.275 354 2HD2 ASN 53 2HD2 ASN 53 5.351 -0.663 -14.932 355 H VAL 54 H VAL 54 3.024 4.151 -17.145 356 HA VAL 54 HA VAL 54 0.312 3.855 -15.990 357 HB VAL 54 HB VAL 54 0.989 5.909 -18.096 358 1HG1 VAL 54 1HG1 VAL 54 -1.335 5.541 -16.210 359 2HG1 VAL 54 2HG1 VAL 54 -1.340 5.322 -17.963 360 3HG1 VAL 54 3HG1 VAL 54 -1.115 6.931 -17.277 361 1HG2 VAL 54 1HG2 VAL 54 1.017 7.595 -16.318 362 2HG2 VAL 54 2HG2 VAL 54 2.318 6.422 -16.114 363 3HG2 VAL 54 3HG2 VAL 54 0.872 6.319 -15.109 364 H LEU 55 H LEU 55 -1.270 2.859 -17.297 365 HA LEU 55 HA LEU 55 -0.033 1.400 -19.494 366 1HB LEU 55 1HB LEU 55 -2.590 0.854 -17.977 367 2HB LEU 55 2HB LEU 55 -1.922 -0.159 -19.239 368 HG LEU 55 HG LEU 55 -1.340 -1.254 -17.276 369 1HD1 LEU 55 1HD1 LEU 55 1.052 -1.088 -17.049 370 2HD1 LEU 55 2HD1 LEU 55 1.027 0.430 -17.951 371 3HD1 LEU 55 3HD1 LEU 55 0.544 -1.072 -18.739 372 1HD2 LEU 55 1HD2 LEU 55 -0.497 1.359 -16.076 373 2HD2 LEU 55 2HD2 LEU 55 -0.415 -0.222 -15.297 374 3HD2 LEU 55 3HD2 LEU 55 -1.981 0.480 -15.706 375 H GLN 56 H GLN 56 -1.776 0.697 -21.143 376 HA GLN 56 HA GLN 56 -3.452 2.986 -21.900 377 1HB GLN 56 1HB GLN 56 -1.393 3.063 -23.229 378 2HB GLN 56 2HB GLN 56 -1.617 1.385 -23.700 379 1HG GLN 56 1HG GLN 56 -3.766 2.087 -24.792 380 2HG GLN 56 2HG GLN 56 -3.278 3.756 -24.496 381 1HE2 GLN 56 1HE2 GLN 56 -1.020 1.222 -25.212 382 2HE2 GLN 56 2HE2 GLN 56 -0.570 1.792 -26.783 383 H ASP 57 H ASP 57 -5.325 2.396 -23.144 384 HA ASP 57 HA ASP 57 -6.373 -0.179 -22.460 385 1HB ASP 57 1HB ASP 57 -7.733 1.927 -22.626 386 2HB ASP 57 2HB ASP 57 -7.500 1.885 -24.369 387 H GLY 58 H GLY 58 -5.116 -1.722 -23.435 388 1HA GLY 58 1HA GLY 58 -5.467 -3.062 -25.587 389 2HA GLY 58 2HA GLY 58 -4.854 -1.611 -26.367 390 H ASP 59 H ASP 59 -3.160 -1.369 -23.781 391 HA ASP 59 HA ASP 59 -0.756 -2.402 -24.870 392 1HB ASP 59 1HB ASP 59 -1.285 -0.474 -23.096 393 2HB ASP 59 2HB ASP 59 -0.942 -1.772 -21.962 394 H THR 60 H THR 60 0.751 -3.828 -23.527 395 HA THR 60 HA THR 60 -0.714 -6.188 -22.576 396 HB THR 60 HB THR 60 2.240 -5.951 -23.177 397 HG1 THR 60 HG1 THR 60 1.514 -7.219 -25.131 398 1HG2 THR 60 1HG2 THR 60 0.423 -8.335 -22.822 399 2HG2 THR 60 2HG2 THR 60 1.716 -7.818 -21.741 400 3HG2 THR 60 3HG2 THR 60 2.102 -8.420 -23.354 401 H ILE 61 H ILE 61 -0.478 -6.850 -20.410 402 HA ILE 61 HA ILE 61 1.409 -5.221 -18.834 403 HB ILE 61 HB ILE 61 -0.090 -5.001 -17.017 404 1HG1 ILE 61 1HG1 ILE 61 -2.565 -5.976 -17.607 405 2HG1 ILE 61 2HG1 ILE 61 -1.539 -7.211 -18.335 406 1HG2 ILE 61 1HG2 ILE 61 -1.626 -4.460 -19.547 407 2HG2 ILE 61 2HG2 ILE 61 -0.453 -3.389 -18.778 408 3HG2 ILE 61 3HG2 ILE 61 -1.971 -3.766 -17.962 409 1HD1 ILE 61 1HD1 ILE 61 -1.449 -6.271 -15.478 410 2HD1 ILE 61 2HD1 ILE 61 -0.357 -7.452 -16.200 411 3HD1 ILE 61 3HD1 ILE 61 -2.081 -7.813 -16.061 412 H THR 62 H THR 62 2.018 -6.256 -16.766 413 HA THR 62 HA THR 62 1.556 -9.136 -16.627 414 HB THR 62 HB THR 62 4.201 -7.836 -17.097 415 HG1 THR 62 HG1 THR 62 2.627 -9.252 -18.535 416 1HG2 THR 62 1HG2 THR 62 3.828 -10.499 -15.723 417 2HG2 THR 62 2HG2 THR 62 4.525 -9.047 -15.001 418 3HG2 THR 62 3HG2 THR 62 5.356 -9.860 -16.328 419 H VAL 63 H VAL 63 1.086 -9.707 -14.631 420 HA VAL 63 HA VAL 63 1.319 -7.983 -12.387 421 HB VAL 63 HB VAL 63 -0.276 -10.063 -12.838 422 1HG1 VAL 63 1HG1 VAL 63 1.986 -11.294 -11.314 423 2HG1 VAL 63 2HG1 VAL 63 1.394 -11.762 -12.910 424 3HG1 VAL 63 3HG1 VAL 63 0.379 -12.005 -11.486 425 1HG2 VAL 63 1HG2 VAL 63 0.767 -9.335 -10.107 426 2HG2 VAL 63 2HG2 VAL 63 -0.734 -10.206 -10.420 427 3HG2 VAL 63 3HG2 VAL 63 -0.549 -8.539 -10.976 428 H ILE 64 H ILE 64 3.081 -7.653 -11.109 429 HA ILE 64 HA ILE 64 5.284 -9.504 -11.396 430 HB ILE 64 HB ILE 64 6.698 -7.843 -10.387 431 1HG1 ILE 64 1HG1 ILE 64 4.669 -6.987 -8.905 432 2HG1 ILE 64 2HG1 ILE 64 6.015 -5.931 -9.298 433 1HG2 ILE 64 1HG2 ILE 64 4.829 -6.678 -12.429 434 2HG2 ILE 64 2HG2 ILE 64 6.249 -7.676 -12.751 435 3HG2 ILE 64 3HG2 ILE 64 6.439 -6.065 -12.053 436 1HD1 ILE 64 1HD1 ILE 64 3.297 -5.993 -10.571 437 2HD1 ILE 64 2HD1 ILE 64 4.646 -5.024 -11.164 438 3HD1 ILE 64 3HD1 ILE 64 3.984 -4.726 -9.556 439 H LYS 65 H LYS 65 2.858 -10.094 -9.473 440 HA LYS 65 HA LYS 65 4.595 -10.841 -7.290 441 1HB LYS 65 1HB LYS 65 2.195 -9.082 -7.073 442 2HB LYS 65 2HB LYS 65 2.350 -10.357 -5.878 443 1HG LYS 65 1HG LYS 65 3.331 -8.532 -4.848 444 2HG LYS 65 2HG LYS 65 4.714 -9.418 -5.489 445 1HD LYS 65 1HD LYS 65 4.729 -7.921 -7.436 446 2HD LYS 65 2HD LYS 65 3.396 -7.008 -6.728 447 1HE LYS 65 1HE LYS 65 6.141 -7.373 -5.535 448 2HE LYS 65 2HE LYS 65 5.539 -5.914 -6.317 449 1HZ LYS 65 1HZ LYS 65 5.448 -5.804 -3.885 450 2HZ LYS 65 2HZ LYS 65 4.384 -7.119 -3.856 451 3HZ LYS 65 3HZ LYS 65 3.908 -5.658 -4.581 452 H ASP 66 H ASP 66 3.711 -12.683 -6.143 453 HA ASP 66 HA ASP 66 1.924 -14.271 -7.760 454 1HB ASP 66 1HB ASP 66 2.372 -16.132 -6.293 455 2HB ASP 66 2HB ASP 66 3.880 -15.332 -6.706 456 H LEU 67 H LEU 67 -0.106 -14.009 -7.725 457 HA LEU 67 HA LEU 67 -1.566 -14.042 -5.164 458 1HB LEU 67 1HB LEU 67 -2.555 -12.849 -7.769 459 2HB LEU 67 2HB LEU 67 -3.397 -12.843 -6.238 460 HG LEU 67 HG LEU 67 -1.375 -11.406 -5.420 461 1HD1 LEU 67 1HD1 LEU 67 -1.223 -10.981 -8.395 462 2HD1 LEU 67 2HD1 LEU 67 0.025 -11.705 -7.380 463 3HD1 LEU 67 3HD1 LEU 67 -0.409 -10.008 -7.170 464 1HD2 LEU 67 1HD2 LEU 67 -2.537 -9.374 -6.131 465 2HD2 LEU 67 2HD2 LEU 67 -3.678 -10.609 -5.597 466 3HD2 LEU 67 3HD2 LEU 67 -3.447 -10.307 -7.320 467 H LYS 68 H LYS 68 -3.308 -15.538 -5.112 468 HA LYS 68 HA LYS 68 -3.373 -17.512 -7.238 469 1HB LYS 68 1HB LYS 68 -4.874 -18.781 -5.829 470 2HB LYS 68 2HB LYS 68 -3.484 -18.240 -4.898 471 1HG LYS 68 1HG LYS 68 -4.724 -16.667 -3.715 472 2HG LYS 68 2HG LYS 68 -6.038 -16.679 -4.894 473 1HD LYS 68 1HD LYS 68 -6.630 -17.847 -2.810 474 2HD LYS 68 2HD LYS 68 -6.672 -18.909 -4.217 475 1HE LYS 68 1HE LYS 68 -4.549 -19.867 -3.627 476 2HE LYS 68 2HE LYS 68 -4.350 -18.709 -2.308 477 1HZ LYS 68 1HZ LYS 68 -6.324 -19.667 -1.251 478 2HZ LYS 68 2HZ LYS 68 -5.102 -20.822 -1.451 479 3HZ LYS 68 3HZ LYS 68 -6.437 -20.815 -2.495 480 H VAL 69 H VAL 69 -5.870 -18.388 -7.601 481 HA VAL 69 HA VAL 69 -7.536 -16.081 -8.224 482 HB VAL 69 HB VAL 69 -7.271 -18.365 -10.194 483 1HG1 VAL 69 1HG1 VAL 69 -9.335 -17.075 -10.230 484 2HG1 VAL 69 2HG1 VAL 69 -8.401 -16.849 -11.708 485 3HG1 VAL 69 3HG1 VAL 69 -8.412 -15.592 -10.469 486 1HG2 VAL 69 1HG2 VAL 69 -5.917 -16.941 -11.628 487 2HG2 VAL 69 2HG2 VAL 69 -5.097 -17.244 -10.096 488 3HG2 VAL 69 3HG2 VAL 69 -5.884 -15.692 -10.381 489 H LYS 70 H LYS 70 -9.642 -16.511 -7.654 490 HA LYS 70 HA LYS 70 -9.999 -18.972 -6.171 491 1HB LYS 70 1HB LYS 70 -11.729 -17.956 -5.057 492 2HB LYS 70 2HB LYS 70 -10.791 -16.552 -5.533 493 1HG LYS 70 1HG LYS 70 -13.184 -17.582 -7.038 494 2HG LYS 70 2HG LYS 70 -13.236 -16.299 -5.831 495 1HD LYS 70 1HD LYS 70 -11.849 -14.889 -7.180 496 2HD LYS 70 2HD LYS 70 -11.539 -16.202 -8.319 497 1HE LYS 70 1HE LYS 70 -13.196 -14.633 -9.195 498 2HE LYS 70 2HE LYS 70 -13.886 -16.236 -8.947 499 1HZ LYS 70 1HZ LYS 70 -15.302 -14.345 -8.188 500 2HZ LYS 70 2HZ LYS 70 -14.155 -14.028 -6.979 501 3HZ LYS 70 3HZ LYS 70 -14.984 -15.507 -6.994 502 H GLY 71 H GLY 71 -11.340 -20.636 -6.593 503 1HA GLY 71 1HA GLY 71 -12.993 -21.891 -7.592 504 2HA GLY 71 2HA GLY 71 -13.481 -20.465 -8.488 505 H SER 72 H SER 72 -10.468 -20.415 -9.341 506 HA SER 72 HA SER 72 -10.967 -22.123 -11.675 507 1HB SER 72 1HB SER 72 -9.460 -20.623 -12.878 508 2HB SER 72 2HB SER 72 -10.727 -19.689 -12.084 509 HG SER 72 HG SER 72 -9.303 -18.826 -10.789 510 H SER 73 H SER 73 -8.925 -22.874 -12.776 511 HA SER 73 HA SER 73 -7.040 -23.933 -10.804 512 1HB SER 73 1HB SER 73 -8.036 -25.523 -12.425 513 2HB SER 73 2HB SER 73 -7.365 -24.578 -13.754 514 HG SER 73 HG SER 73 -5.263 -24.994 -12.683 515 H LEU 74 H LEU 74 -7.278 -21.093 -11.971 516 HA LEU 74 HA LEU 74 -4.708 -20.830 -13.303 517 1HB LEU 74 1HB LEU 74 -7.031 -18.991 -12.824 518 2HB LEU 74 2HB LEU 74 -5.471 -18.350 -13.280 519 HG LEU 74 HG LEU 74 -5.579 -19.823 -15.333 520 1HD1 LEU 74 1HD1 LEU 74 -7.782 -20.602 -16.034 521 2HD1 LEU 74 2HD1 LEU 74 -8.457 -20.104 -14.483 522 3HD1 LEU 74 3HD1 LEU 74 -7.263 -21.401 -14.550 523 1HD2 LEU 74 1HD2 LEU 74 -7.076 -18.301 -16.526 524 2HD2 LEU 74 2HD2 LEU 74 -6.009 -17.434 -15.421 525 3HD2 LEU 74 3HD2 LEU 74 -7.696 -17.708 -14.985 526 H VAL 75 H VAL 75 -3.623 -18.562 -12.416 527 HA VAL 75 HA VAL 75 -3.353 -18.436 -9.670 528 HB VAL 75 HB VAL 75 -1.152 -19.966 -11.092 529 1HG1 VAL 75 1HG1 VAL 75 0.069 -19.860 -8.968 530 2HG1 VAL 75 2HG1 VAL 75 -1.218 -18.867 -8.279 531 3HG1 VAL 75 3HG1 VAL 75 -0.237 -18.244 -9.608 532 1HG2 VAL 75 1HG2 VAL 75 -2.817 -20.736 -8.693 533 2HG2 VAL 75 2HG2 VAL 75 -1.531 -21.704 -9.423 534 3HG2 VAL 75 3HG2 VAL 75 -3.013 -21.379 -10.326 535 H VAL 76 H VAL 76 -2.766 -16.326 -9.525 536 HA VAL 76 HA VAL 76 -1.777 -15.032 -11.929 537 HB VAL 76 HB VAL 76 -2.572 -13.869 -9.248 538 1HG1 VAL 76 1HG1 VAL 76 -0.892 -12.489 -10.324 539 2HG1 VAL 76 2HG1 VAL 76 -2.469 -11.699 -10.346 540 3HG1 VAL 76 3HG1 VAL 76 -1.843 -12.469 -11.807 541 1HG2 VAL 76 1HG2 VAL 76 -4.521 -13.027 -10.467 542 2HG2 VAL 76 2HG2 VAL 76 -4.446 -14.789 -10.500 543 3HG2 VAL 76 3HG2 VAL 76 -3.967 -13.859 -11.920 544 H LYS 77 H LYS 77 0.306 -15.558 -12.187 545 HA LYS 77 HA LYS 77 2.088 -15.266 -9.867 546 1HB LYS 77 1HB LYS 77 3.652 -16.777 -11.207 547 2HB LYS 77 2HB LYS 77 2.229 -17.501 -10.483 548 1HG LYS 77 1HG LYS 77 2.358 -18.454 -12.597 549 2HG LYS 77 2HG LYS 77 1.124 -17.207 -12.764 550 1HD LYS 77 1HD LYS 77 2.573 -15.786 -13.949 551 2HD LYS 77 2HD LYS 77 4.001 -16.699 -13.456 552 1HE LYS 77 1HE LYS 77 3.217 -18.610 -14.790 553 2HE LYS 77 2HE LYS 77 1.816 -17.671 -15.299 554 1HZ LYS 77 1HZ LYS 77 3.154 -16.231 -16.546 555 2HZ LYS 77 2HZ LYS 77 3.772 -17.771 -16.877 556 3HZ LYS 77 3HZ LYS 77 4.585 -16.748 -15.799 557 H VAL 78 H VAL 78 4.033 -14.238 -10.024 558 HA VAL 78 HA VAL 78 4.202 -11.901 -11.446 559 HB VAL 78 HB VAL 78 5.654 -12.192 -9.594 560 1HG1 VAL 78 1HG1 VAL 78 6.962 -14.464 -11.083 561 2HG1 VAL 78 2HG1 VAL 78 5.925 -14.602 -9.663 562 3HG1 VAL 78 3HG1 VAL 78 7.495 -13.808 -9.534 563 1HG2 VAL 78 1HG2 VAL 78 7.336 -12.099 -12.097 564 2HG2 VAL 78 2HG2 VAL 78 7.860 -11.592 -10.491 565 3HG2 VAL 78 3HG2 VAL 78 6.557 -10.730 -11.305 566 H GLY 79 H GLY 79 3.736 -11.998 -13.566 567 1HA GLY 79 1HA GLY 79 5.218 -11.914 -15.666 568 2HA GLY 79 2HA GLY 79 5.469 -13.622 -15.318 569 H THR 80 H THR 80 2.481 -12.762 -14.347 570 HA THR 80 HA THR 80 1.053 -14.205 -16.318 571 HB THR 80 HB THR 80 -0.076 -12.125 -14.429 572 HG1 THR 80 HG1 THR 80 0.993 -13.988 -13.457 573 1HG2 THR 80 1HG2 THR 80 -1.580 -12.596 -16.304 574 2HG2 THR 80 2HG2 THR 80 -2.220 -13.265 -14.802 575 3HG2 THR 80 3HG2 THR 80 -1.449 -14.325 -15.983 576 H LYS 81 H LYS 81 1.141 -13.622 -18.322 577 HA LYS 81 HA LYS 81 1.230 -10.786 -19.009 578 1HB LYS 81 1HB LYS 81 2.861 -12.298 -20.070 579 2HB LYS 81 2HB LYS 81 1.545 -13.157 -20.863 580 1HG LYS 81 1HG LYS 81 0.911 -11.049 -21.993 581 2HG LYS 81 2HG LYS 81 2.317 -10.276 -21.265 582 1HD LYS 81 1HD LYS 81 2.821 -10.925 -23.530 583 2HD LYS 81 2HD LYS 81 3.769 -11.905 -22.411 584 1HE LYS 81 1HE LYS 81 2.262 -13.763 -22.693 585 2HE LYS 81 2HE LYS 81 1.181 -12.782 -23.683 586 1HZ LYS 81 1HZ LYS 81 3.961 -13.567 -24.384 587 2HZ LYS 81 2HZ LYS 81 2.958 -12.577 -25.328 588 3HZ LYS 81 3HZ LYS 81 2.541 -14.201 -25.061 589 H VAL 82 H VAL 82 -0.590 -9.730 -19.319 590 HA VAL 82 HA VAL 82 -2.624 -10.994 -21.003 591 HB VAL 82 HB VAL 82 -3.257 -9.225 -18.636 592 1HG1 VAL 82 1HG1 VAL 82 -5.577 -10.105 -19.119 593 2HG1 VAL 82 2HG1 VAL 82 -4.936 -10.667 -20.662 594 3HG1 VAL 82 3HG1 VAL 82 -4.912 -8.946 -20.269 595 1HG2 VAL 82 1HG2 VAL 82 -2.447 -11.378 -17.849 596 2HG2 VAL 82 2HG2 VAL 82 -3.580 -12.214 -18.912 597 3HG2 VAL 82 3HG2 VAL 82 -4.183 -11.233 -17.575 598 H LYS 83 H LYS 83 -2.824 -9.871 -22.776 599 HA LYS 83 HA LYS 83 -2.176 -7.013 -22.689 600 1HB LYS 83 1HB LYS 83 -1.667 -7.153 -25.058 601 2HB LYS 83 2HB LYS 83 -0.725 -8.313 -24.139 602 1HG LYS 83 1HG LYS 83 -2.199 -10.102 -24.844 603 2HG LYS 83 2HG LYS 83 -3.197 -8.942 -25.730 604 1HD LYS 83 1HD LYS 83 -1.175 -8.327 -27.050 605 2HD LYS 83 2HD LYS 83 -0.316 -9.645 -26.250 606 1HE LYS 83 1HE LYS 83 -1.842 -11.257 -27.172 607 2HE LYS 83 2HE LYS 83 -2.831 -9.975 -27.872 608 1HZ LYS 83 1HZ LYS 83 -0.065 -10.735 -28.635 609 2HZ LYS 83 2HZ LYS 83 -0.830 -9.324 -29.181 610 3HZ LYS 83 3HZ LYS 83 -1.467 -10.842 -29.587 611 H ASN 84 H ASN 84 -3.129 -5.715 -24.377 612 HA ASN 84 HA ASN 84 -4.879 -4.702 -25.430 613 1HB ASN 84 1HB ASN 84 -5.941 -7.528 -25.452 614 2HB ASN 84 2HB ASN 84 -6.822 -6.182 -26.163 615 1HD2 ASN 84 1HD2 ASN 84 -5.579 -8.632 -27.304 616 2HD2 ASN 84 2HD2 ASN 84 -4.563 -8.063 -28.586 617 H ILE 85 H ILE 85 -4.669 -4.684 -22.522 618 HA ILE 85 HA ILE 85 -7.003 -5.421 -21.212 619 HB ILE 85 HB ILE 85 -6.118 -4.002 -19.406 620 1HG1 ILE 85 1HG1 ILE 85 -3.879 -3.218 -21.267 621 2HG1 ILE 85 2HG1 ILE 85 -5.330 -2.232 -21.138 622 1HG2 ILE 85 1HG2 ILE 85 -3.971 -5.563 -20.846 623 2HG2 ILE 85 2HG2 ILE 85 -5.182 -6.238 -19.756 624 3HG2 ILE 85 3HG2 ILE 85 -3.965 -5.121 -19.138 625 1HD1 ILE 85 1HD1 ILE 85 -4.905 -1.971 -18.737 626 2HD1 ILE 85 2HD1 ILE 85 -3.586 -1.356 -19.733 627 3HD1 ILE 85 3HD1 ILE 85 -3.423 -2.911 -18.915 628 H ARG 86 H ARG 86 -8.170 -3.813 -19.887 629 HA ARG 86 HA ARG 86 -9.012 -1.444 -21.422 630 1HB ARG 86 1HB ARG 86 -10.906 -2.826 -21.376 631 2HB ARG 86 2HB ARG 86 -10.528 -3.452 -19.780 632 1HG ARG 86 1HG ARG 86 -12.349 -2.108 -19.364 633 2HG ARG 86 2HG ARG 86 -11.006 -1.032 -18.987 634 1HD ARG 86 1HD ARG 86 -12.492 0.254 -20.257 635 2HD ARG 86 2HD ARG 86 -11.204 -0.200 -21.378 636 HE ARG 86 HE ARG 86 -13.882 -1.441 -21.274 637 1HH1 ARG 86 1HH1 ARG 86 -10.945 -0.627 -23.033 638 2HH1 ARG 86 2HH1 ARG 86 -11.569 -1.188 -24.557 639 1HH2 ARG 86 1HH2 ARG 86 -14.682 -2.182 -23.264 640 2HH2 ARG 86 2HH2 ARG 86 -13.700 -2.057 -24.696 641 H LEU 87 H LEU 87 -8.345 0.423 -20.412 642 HA LEU 87 HA LEU 87 -7.732 0.464 -17.611 643 1HB LEU 87 1HB LEU 87 -8.213 2.770 -19.517 644 2HB LEU 87 2HB LEU 87 -7.523 2.898 -17.912 645 HG LEU 87 HG LEU 87 -6.259 1.483 -20.251 646 1HD1 LEU 87 1HD1 LEU 87 -5.531 4.081 -18.927 647 2HD1 LEU 87 2HD1 LEU 87 -6.280 3.904 -20.515 648 3HD1 LEU 87 3HD1 LEU 87 -4.647 3.296 -20.238 649 1HD2 LEU 87 1HD2 LEU 87 -5.666 0.437 -18.135 650 2HD2 LEU 87 2HD2 LEU 87 -5.183 2.007 -17.492 651 3HD2 LEU 87 3HD2 LEU 87 -4.289 1.291 -18.834 652 H VAL 88 H VAL 88 -9.251 0.488 -16.063 653 HA VAL 88 HA VAL 88 -11.975 0.582 -16.806 654 HB VAL 88 HB VAL 88 -10.952 0.694 -13.977 655 1HG1 VAL 88 1HG1 VAL 88 -13.351 0.902 -14.238 656 2HG1 VAL 88 2HG1 VAL 88 -12.939 -0.659 -13.522 657 3HG1 VAL 88 3HG1 VAL 88 -13.382 -0.558 -15.231 658 1HG2 VAL 88 1HG2 VAL 88 -9.686 -1.029 -15.133 659 2HG2 VAL 88 2HG2 VAL 88 -11.180 -1.729 -15.756 660 3HG2 VAL 88 3HG2 VAL 88 -10.846 -1.755 -14.022 661 H ASP 89 H ASP 89 -13.517 2.037 -16.494 662 HA ASP 89 HA ASP 89 -12.652 4.811 -16.278 663 1HB ASP 89 1HB ASP 89 -14.159 3.688 -18.054 664 2HB ASP 89 2HB ASP 89 -15.418 3.840 -16.844 665 H GLY 90 H GLY 90 -12.723 3.282 -13.920 666 1HA GLY 90 1HA GLY 90 -14.716 4.751 -12.356 667 2HA GLY 90 2HA GLY 90 -14.697 2.998 -12.223 668 H ASP 91 H ASP 91 -12.983 1.967 -11.207 669 HA ASP 91 HA ASP 91 -11.424 3.679 -9.416 670 1HB ASP 91 1HB ASP 91 -12.768 1.475 -8.796 671 2HB ASP 91 2HB ASP 91 -11.297 0.687 -9.352 672 H HIS 92 H HIS 92 -9.133 2.386 -9.004 673 HA HIS 92 HA HIS 92 -7.827 2.820 -11.570 674 1HB HIS 92 1HB HIS 92 -5.723 2.878 -10.262 675 2HB HIS 92 2HB HIS 92 -6.908 4.049 -9.707 676 HD1 HIS 92 HD1 HIS 92 -7.929 3.677 -7.338 677 HD2 HIS 92 HD2 HIS 92 -5.018 0.904 -8.417 678 HE1 HIS 92 HE1 HIS 92 -7.243 2.538 -5.203 679 HE2 HIS 92 HE2 HIS 92 -5.375 0.977 -5.852 680 H ASP 93 H ASP 93 -9.212 0.449 -11.663 681 HA ASP 93 HA ASP 93 -7.247 -1.644 -11.219 682 1HB ASP 93 1HB ASP 93 -10.187 -1.643 -11.747 683 2HB ASP 93 2HB ASP 93 -9.230 -3.110 -11.925 684 H ILE 94 H ILE 94 -6.917 -3.249 -12.865 685 HA ILE 94 HA ILE 94 -7.132 -2.185 -15.598 686 HB ILE 94 HB ILE 94 -5.445 -4.465 -14.566 687 1HG1 ILE 94 1HG1 ILE 94 -3.676 -2.710 -15.583 688 2HG1 ILE 94 2HG1 ILE 94 -4.917 -1.591 -15.023 689 1HG2 ILE 94 1HG2 ILE 94 -6.131 -4.878 -16.840 690 2HG2 ILE 94 2HG2 ILE 94 -4.416 -4.469 -16.779 691 3HG2 ILE 94 3HG2 ILE 94 -5.590 -3.269 -17.318 692 1HD1 ILE 94 1HD1 ILE 94 -3.531 -3.673 -13.381 693 2HD1 ILE 94 2HD1 ILE 94 -4.792 -2.582 -12.806 694 3HD1 ILE 94 3HD1 ILE 94 -3.237 -1.935 -13.333 695 H ASP 95 H ASP 95 -8.751 -2.964 -16.789 696 HA ASP 95 HA ASP 95 -9.953 -5.458 -15.912 697 1HB ASP 95 1HB ASP 95 -11.328 -3.422 -16.349 698 2HB ASP 95 2HB ASP 95 -10.899 -3.537 -18.050 699 H CYS 96 H CYS 96 -9.899 -7.290 -17.078 700 HA CYS 96 HA CYS 96 -8.405 -7.256 -19.581 701 1HB CYS 96 1HB CYS 96 -6.834 -8.979 -18.742 702 2HB CYS 96 2HB CYS 96 -6.650 -7.425 -17.942 703 HG CYS 96 HG CYS 96 -8.438 -8.455 -15.795 704 H LYS 97 H LYS 97 -8.563 -9.146 -20.796 705 HA LYS 97 HA LYS 97 -10.883 -10.804 -20.103 706 1HB LYS 97 1HB LYS 97 -9.589 -10.377 -22.809 707 2HB LYS 97 2HB LYS 97 -11.112 -11.198 -22.492 708 1HG LYS 97 1HG LYS 97 -12.158 -9.153 -21.837 709 2HG LYS 97 2HG LYS 97 -10.621 -8.290 -21.891 710 1HD LYS 97 1HD LYS 97 -10.496 -8.721 -24.317 711 2HD LYS 97 2HD LYS 97 -12.068 -9.518 -24.238 712 1HE LYS 97 1HE LYS 97 -13.081 -7.433 -23.445 713 2HE LYS 97 2HE LYS 97 -11.509 -6.640 -23.527 714 1HZ LYS 97 1HZ LYS 97 -12.972 -6.218 -25.471 715 2HZ LYS 97 2HZ LYS 97 -12.867 -7.861 -25.867 716 3HZ LYS 97 3HZ LYS 97 -11.472 -6.896 -25.883 717 H ILE 98 H ILE 98 -10.507 -12.893 -19.572 718 HA ILE 98 HA ILE 98 -7.918 -14.035 -20.389 719 HB ILE 98 HB ILE 98 -9.305 -14.501 -17.748 720 1HG1 ILE 98 1HG1 ILE 98 -6.625 -13.196 -18.134 721 2HG1 ILE 98 2HG1 ILE 98 -8.101 -12.242 -18.244 722 1HG2 ILE 98 1HG2 ILE 98 -8.093 -16.459 -18.609 723 2HG2 ILE 98 2HG2 ILE 98 -7.312 -15.786 -17.176 724 3HG2 ILE 98 3HG2 ILE 98 -6.638 -15.476 -18.777 725 1HD1 ILE 98 1HD1 ILE 98 -7.230 -13.870 -15.873 726 2HD1 ILE 98 2HD1 ILE 98 -8.704 -12.907 -15.993 727 3HD1 ILE 98 3HD1 ILE 98 -7.128 -12.115 -16.032 728 H ASP 99 H ASP 99 -8.353 -15.487 -21.855 729 HA ASP 99 HA ASP 99 -10.866 -16.789 -22.104 730 1HB ASP 99 1HB ASP 99 -8.205 -17.317 -23.431 731 2HB ASP 99 2HB ASP 99 -9.717 -18.098 -23.892 732 H GLY 100 H GLY 100 -11.510 -18.182 -20.641 733 1HA GLY 100 1HA GLY 100 -10.802 -20.713 -20.261 734 2HA GLY 100 2HA GLY 100 -9.604 -19.897 -19.264 735 H ILE 101 H ILE 101 -11.233 -17.770 -18.417 736 HA ILE 101 HA ILE 101 -13.368 -19.105 -16.908 737 HB ILE 101 HB ILE 101 -12.755 -17.663 -14.928 738 1HG1 ILE 101 1HG1 ILE 101 -10.143 -17.393 -16.438 739 2HG1 ILE 101 2HG1 ILE 101 -11.281 -16.088 -16.124 740 1HG2 ILE 101 1HG2 ILE 101 -10.798 -19.788 -15.786 741 2HG2 ILE 101 2HG2 ILE 101 -12.332 -20.048 -14.955 742 3HG2 ILE 101 3HG2 ILE 101 -11.017 -19.204 -14.137 743 1HD1 ILE 101 1HD1 ILE 101 -9.743 -17.635 -14.052 744 2HD1 ILE 101 2HD1 ILE 101 -10.898 -16.342 -13.723 745 3HD1 ILE 101 3HD1 ILE 101 -9.406 -15.992 -14.598 746 H GLY 102 H GLY 102 -11.965 -16.075 -18.068 747 1HA GLY 102 1HA GLY 102 -13.887 -14.872 -19.355 748 2HA GLY 102 2HA GLY 102 -14.556 -14.744 -17.733 749 H ALA 103 H ALA 103 -14.454 -12.460 -17.856 750 HA ALA 103 HA ALA 103 -11.867 -11.194 -18.172 751 1HB ALA 103 1HB ALA 103 -13.861 -10.138 -19.121 752 2HB ALA 103 2HB ALA 103 -13.094 -9.098 -17.920 753 3HB ALA 103 3HB ALA 103 -14.555 -9.995 -17.506 754 H MET 104 H MET 104 -10.863 -9.914 -16.558 755 HA MET 104 HA MET 104 -11.738 -10.315 -13.788 756 1HB MET 104 1HB MET 104 -10.190 -12.177 -14.332 757 2HB MET 104 2HB MET 104 -8.963 -11.006 -14.789 758 1HG MET 104 1HG MET 104 -8.969 -10.147 -12.476 759 2HG MET 104 2HG MET 104 -10.126 -11.401 -12.042 760 1HE MET 104 1HE MET 104 -8.026 -14.659 -12.627 761 2HE MET 104 2HE MET 104 -9.057 -13.849 -13.806 762 3HE MET 104 3HE MET 104 -9.585 -13.999 -12.130 763 H LYS 105 H LYS 105 -10.475 -8.961 -12.288 764 HA LYS 105 HA LYS 105 -9.388 -6.577 -13.601 765 1HB LYS 105 1HB LYS 105 -10.128 -5.381 -11.429 766 2HB LYS 105 2HB LYS 105 -11.337 -5.739 -12.649 767 1HG LYS 105 1HG LYS 105 -12.371 -6.299 -10.652 768 2HG LYS 105 2HG LYS 105 -11.819 -7.850 -11.281 769 1HD LYS 105 1HD LYS 105 -9.876 -7.761 -9.819 770 2HD LYS 105 2HD LYS 105 -10.402 -6.194 -9.197 771 1HE LYS 105 1HE LYS 105 -12.542 -7.344 -8.495 772 2HE LYS 105 2HE LYS 105 -11.740 -8.868 -8.870 773 1HZ LYS 105 1HZ LYS 105 -11.046 -6.895 -6.779 774 2HZ LYS 105 2HZ LYS 105 -9.937 -8.070 -7.292 775 3HZ LYS 105 3HZ LYS 105 -11.412 -8.543 -6.595 776 H LEU 106 H LEU 106 -7.521 -5.745 -12.804 777 HA LEU 106 HA LEU 106 -6.065 -7.505 -10.953 778 1HB LEU 106 1HB LEU 106 -4.961 -6.007 -13.327 779 2HB LEU 106 2HB LEU 106 -4.072 -7.093 -12.276 780 HG LEU 106 HG LEU 106 -6.353 -7.926 -14.075 781 1HD1 LEU 106 1HD1 LEU 106 -4.424 -7.207 -15.357 782 2HD1 LEU 106 2HD1 LEU 106 -4.604 -8.961 -15.438 783 3HD1 LEU 106 3HD1 LEU 106 -3.374 -8.246 -14.392 784 1HD2 LEU 106 1HD2 LEU 106 -6.119 -9.341 -12.101 785 2HD2 LEU 106 2HD2 LEU 106 -4.401 -9.552 -12.437 786 3HD2 LEU 106 3HD2 LEU 106 -5.604 -10.199 -13.553 787 H LYS 107 H LYS 107 -4.848 -6.598 -9.446 788 HA LYS 107 HA LYS 107 -5.531 -3.944 -8.695 789 1HB LYS 107 1HB LYS 107 -4.913 -6.002 -7.190 790 2HB LYS 107 2HB LYS 107 -3.275 -5.383 -7.370 791 1HG LYS 107 1HG LYS 107 -4.262 -4.536 -5.340 792 2HG LYS 107 2HG LYS 107 -4.008 -3.215 -6.485 793 1HD LYS 107 1HD LYS 107 -6.392 -3.439 -7.171 794 2HD LYS 107 2HD LYS 107 -6.602 -4.632 -5.889 795 1HE LYS 107 1HE LYS 107 -5.777 -1.755 -5.520 796 2HE LYS 107 2HE LYS 107 -7.372 -2.425 -5.186 797 1HZ LYS 107 1HZ LYS 107 -4.831 -2.986 -3.766 798 2HZ LYS 107 2HZ LYS 107 -6.219 -3.940 -3.570 799 3HZ LYS 107 3HZ LYS 107 -6.251 -2.298 -3.139 800 H SER 108 H SER 108 -4.640 -2.138 -9.175 801 HA SER 108 HA SER 108 -2.632 -1.700 -10.992 802 1HB SER 108 1HB SER 108 -4.214 0.003 -10.396 803 2HB SER 108 2HB SER 108 -3.637 0.040 -8.736 804 HG SER 108 HG SER 108 -1.965 0.644 -10.944 805 H GLU 109 H GLU 109 -2.296 -2.407 -7.595 806 HA GLU 109 HA GLU 109 0.369 -1.309 -7.457 807 1HB GLU 109 1HB GLU 109 0.267 -1.991 -5.106 808 2HB GLU 109 2HB GLU 109 -1.145 -1.042 -5.554 809 1HG GLU 109 1HG GLU 109 -2.340 -3.230 -5.914 810 2HG GLU 109 2HG GLU 109 -0.966 -4.003 -5.129 811 H PHE 110 H PHE 110 -1.006 -4.202 -8.543 812 HA PHE 110 HA PHE 110 1.470 -5.640 -7.852 813 1HB PHE 110 1HB PHE 110 -1.323 -6.640 -8.377 814 2HB PHE 110 2HB PHE 110 0.070 -7.707 -8.309 815 HD1 PHE 110 HD1 PHE 110 1.618 -6.944 -6.093 816 HD2 PHE 110 HD2 PHE 110 -2.613 -6.794 -6.495 817 HE1 PHE 110 HE1 PHE 110 1.385 -7.082 -3.647 818 HE2 PHE 110 HE2 PHE 110 -2.857 -6.926 -4.052 819 HZ PHE 110 HZ PHE 110 -0.855 -7.072 -2.623 820 H VAL 111 H VAL 111 0.474 -3.906 -10.344 821 HA VAL 111 HA VAL 111 1.115 -5.978 -12.336 822 HB VAL 111 HB VAL 111 -0.090 -4.660 -14.006 823 1HG1 VAL 111 1HG1 VAL 111 -1.272 -6.403 -12.819 824 2HG1 VAL 111 2HG1 VAL 111 -2.359 -5.051 -13.137 825 3HG1 VAL 111 3HG1 VAL 111 -1.683 -5.280 -11.523 826 1HG2 VAL 111 1HG2 VAL 111 -1.498 -2.767 -13.303 827 2HG2 VAL 111 2HG2 VAL 111 0.221 -2.433 -13.098 828 3HG2 VAL 111 3HG2 VAL 111 -0.775 -2.838 -11.697 829 H ARG 112 H ARG 112 2.150 -5.281 -14.293 830 HA ARG 112 HA ARG 112 3.850 -2.916 -14.117 831 1HB ARG 112 1HB ARG 112 5.380 -4.497 -13.292 832 2HB ARG 112 2HB ARG 112 4.775 -5.768 -14.343 833 1HG ARG 112 1HG ARG 112 6.004 -5.065 -16.139 834 2HG ARG 112 2HG ARG 112 6.061 -3.392 -15.587 835 1HD ARG 112 1HD ARG 112 7.648 -3.988 -13.855 836 2HD ARG 112 2HD ARG 112 7.537 -5.682 -14.301 837 HE ARG 112 HE ARG 112 8.323 -4.157 -16.545 838 1HH1 ARG 112 1HH1 ARG 112 9.575 -5.317 -13.475 839 2HH1 ARG 112 2HH1 ARG 112 11.225 -5.340 -14.013 840 1HH2 ARG 112 1HH2 ARG 112 10.489 -4.211 -17.257 841 2HH2 ARG 112 2HH2 ARG 112 11.748 -4.689 -16.156 842 H LYS 113 H LYS 113 4.048 -1.913 -16.048 843 HA LYS 113 HA LYS 113 2.556 -2.790 -18.268 844 1HB LYS 113 1HB LYS 113 3.144 -0.408 -17.778 845 2HB LYS 113 2HB LYS 113 4.791 -0.763 -18.293 846 1HG LYS 113 1HG LYS 113 3.634 -1.642 -20.450 847 2HG LYS 113 2HG LYS 113 2.289 -0.640 -19.906 848 1HD LYS 113 1HD LYS 113 3.698 1.312 -19.892 849 2HD LYS 113 2HD LYS 113 5.108 0.334 -20.314 850 1HE LYS 113 1HE LYS 113 2.686 0.931 -21.995 851 2HE LYS 113 2HE LYS 113 4.362 1.347 -22.309 852 1HZ LYS 113 1HZ LYS 113 3.900 -0.456 -23.690 853 2HZ LYS 113 2HZ LYS 113 3.093 -1.310 -22.470 854 3HZ LYS 113 3HZ LYS 113 4.779 -1.118 -22.402 855 H VAL 114 H VAL 114 3.119 -3.788 -20.084 856 HA VAL 114 HA VAL 114 5.889 -4.760 -20.347 857 HB VAL 114 HB VAL 114 3.421 -6.051 -21.512 858 1HG1 VAL 114 1HG1 VAL 114 4.909 -7.956 -21.916 859 2HG1 VAL 114 2HG1 VAL 114 6.269 -7.018 -21.298 860 3HG1 VAL 114 3HG1 VAL 114 5.443 -6.511 -22.772 861 1HG2 VAL 114 1HG2 VAL 114 3.723 -7.778 -19.800 862 2HG2 VAL 114 2HG2 VAL 114 3.339 -6.205 -19.105 863 3HG2 VAL 114 3HG2 VAL 114 4.997 -6.807 -19.061 864 H GLY 115 H GLY 115 3.056 -4.358 -22.481 865 1HA GLY 115 1HA GLY 115 2.883 -3.397 -24.572 866 2HA GLY 115 2HA GLY 115 4.428 -2.607 -24.280 867 H SER 116 H SER 116 3.456 -6.021 -24.498 868 HA SER 116 HA SER 116 5.100 -6.330 -26.882 869 1HB SER 116 1HB SER 116 5.476 -8.000 -24.382 870 2HB SER 116 2HB SER 116 6.235 -8.324 -25.942 871 HG SER 116 HG SER 116 6.565 -5.760 -24.934 Start of MODEL 6 1 H MET 1 H MET 1 14.847 18.251 20.130 2 HA MET 1 HA MET 1 15.111 16.396 18.695 3 1HB MET 1 1HB MET 1 12.845 16.896 19.617 4 2HB MET 1 2HB MET 1 12.463 17.747 18.129 5 1HG MET 1 1HG MET 1 11.520 15.728 17.684 6 2HG MET 1 2HG MET 1 13.134 15.463 17.026 7 1HE MET 1 1HE MET 1 14.999 14.927 19.464 8 2HE MET 1 2HE MET 1 14.930 13.850 18.068 9 3HE MET 1 3HE MET 1 14.818 13.188 19.699 10 H VAL 2 H VAL 2 16.108 15.917 16.853 11 HA VAL 2 HA VAL 2 15.711 17.668 14.529 12 HB VAL 2 HB VAL 2 17.861 15.626 15.104 13 1HG1 VAL 2 1HG1 VAL 2 18.959 16.461 13.080 14 2HG1 VAL 2 2HG1 VAL 2 17.569 17.495 12.754 15 3HG1 VAL 2 3HG1 VAL 2 17.391 15.741 12.715 16 1HG2 VAL 2 1HG2 VAL 2 18.063 17.637 16.455 17 2HG2 VAL 2 2HG2 VAL 2 17.957 18.637 15.007 18 3HG2 VAL 2 3HG2 VAL 2 19.344 17.573 15.245 19 H SER 3 H SER 3 14.508 16.992 12.897 20 HA SER 3 HA SER 3 14.609 14.323 11.929 21 1HB SER 3 1HB SER 3 13.023 13.997 13.796 22 2HB SER 3 2HB SER 3 11.987 15.256 13.132 23 HG SER 3 HG SER 3 12.299 12.626 12.370 24 H THR 4 H THR 4 12.783 14.116 10.154 25 HA THR 4 HA THR 4 12.696 16.691 8.724 26 HB THR 4 HB THR 4 12.811 15.386 6.629 27 HG1 THR 4 HG1 THR 4 12.225 13.346 6.920 28 1HG2 THR 4 1HG2 THR 4 15.019 14.841 8.614 29 2HG2 THR 4 2HG2 THR 4 14.866 16.258 7.572 30 3HG2 THR 4 3HG2 THR 4 15.172 14.672 6.863 31 H LEU 5 H LEU 5 10.821 15.071 10.544 32 HA LEU 5 HA LEU 5 8.530 14.637 8.805 33 1HB LEU 5 1HB LEU 5 8.795 14.369 11.804 34 2HB LEU 5 2HB LEU 5 7.442 13.816 10.835 35 HG LEU 5 HG LEU 5 10.252 12.744 10.582 36 1HD1 LEU 5 1HD1 LEU 5 9.419 10.780 11.769 37 2HD1 LEU 5 2HD1 LEU 5 7.868 11.580 12.013 38 3HD1 LEU 5 3HD1 LEU 5 9.320 12.225 12.775 39 1HD2 LEU 5 1HD2 LEU 5 7.619 11.768 9.480 40 2HD2 LEU 5 2HD2 LEU 5 9.173 10.952 9.313 41 3HD2 LEU 5 3HD2 LEU 5 8.917 12.524 8.555 42 HA PRO 6 HA PRO 6 6.550 18.526 9.790 43 1HB PRO 6 1HB PRO 6 3.951 17.836 10.053 44 2HB PRO 6 2HB PRO 6 4.766 17.830 8.483 45 1HG PRO 6 1HG PRO 6 4.241 15.543 10.349 46 2HG PRO 6 2HG PRO 6 3.970 15.628 8.599 47 1HD PRO 6 1HD PRO 6 6.153 14.441 9.643 48 2HD PRO 6 2HD PRO 6 6.225 15.343 8.114 49 HA PRO 7 HA PRO 7 6.173 18.712 14.193 50 1HB PRO 7 1HB PRO 7 4.506 21.076 14.084 51 2HB PRO 7 2HB PRO 7 6.222 20.955 14.477 52 1HG PRO 7 1HG PRO 7 5.256 22.140 12.207 53 2HG PRO 7 2HG PRO 7 6.870 21.420 12.338 54 1HD PRO 7 1HD PRO 7 4.385 20.293 11.105 55 2HD PRO 7 2HD PRO 7 6.071 20.185 10.551 56 H CYS 8 H CYS 8 4.227 19.737 15.749 57 HA CYS 8 HA CYS 8 2.042 17.834 15.388 58 1HB CYS 8 1HB CYS 8 3.080 17.604 17.511 59 2HB CYS 8 2HB CYS 8 3.125 19.343 17.760 60 HA PRO 9 HA PRO 9 -0.523 21.277 14.148 61 1HB PRO 9 1HB PRO 9 -2.888 19.958 14.095 62 2HB PRO 9 2HB PRO 9 -1.658 19.753 12.842 63 1HG PRO 9 1HG PRO 9 -2.249 18.020 15.215 64 2HG PRO 9 2HG PRO 9 -1.939 17.543 13.535 65 1HD PRO 9 1HD PRO 9 -0.035 17.412 15.441 66 2HD PRO 9 2HD PRO 9 0.347 17.798 13.750 67 H GLN 10 H GLN 10 -0.215 20.071 17.143 68 HA GLN 10 HA GLN 10 -2.379 21.705 18.201 69 1HB GLN 10 1HB GLN 10 -2.785 19.348 18.564 70 2HB GLN 10 2HB GLN 10 -1.200 19.171 19.302 71 1HG GLN 10 1HG GLN 10 -1.826 20.418 21.180 72 2HG GLN 10 2HG GLN 10 -3.306 20.986 20.401 73 1HE2 GLN 10 1HE2 GLN 10 -2.187 17.769 20.010 74 2HE2 GLN 10 2HE2 GLN 10 -3.411 16.999 20.932 75 H CYS 11 H CYS 11 1.100 20.754 18.516 76 HA CYS 11 HA CYS 11 1.381 22.853 20.530 77 1HB CYS 11 1HB CYS 11 3.303 20.635 19.775 78 2HB CYS 11 2HB CYS 11 3.493 21.773 21.099 79 H ASN 12 H ASN 12 2.691 21.465 17.562 80 HA ASN 12 HA ASN 12 3.923 22.257 15.848 81 1HB ASN 12 1HB ASN 12 2.286 24.165 16.034 82 2HB ASN 12 2HB ASN 12 3.505 25.029 16.965 83 1HD2 ASN 12 1HD2 ASN 12 5.260 25.905 15.928 84 2HD2 ASN 12 2HD2 ASN 12 5.422 25.955 14.207 85 H SER 13 H SER 13 4.812 22.479 18.966 86 HA SER 13 HA SER 13 7.097 23.881 19.271 87 1HB SER 13 1HB SER 13 7.876 21.962 20.770 88 2HB SER 13 2HB SER 13 6.298 22.663 21.125 89 HG SER 13 HG SER 13 5.826 20.570 21.101 90 H GLU 14 H GLU 14 7.466 20.421 18.605 91 HA GLU 14 HA GLU 14 8.880 20.273 16.313 92 1HB GLU 14 1HB GLU 14 11.254 20.418 16.857 93 2HB GLU 14 2HB GLU 14 10.465 21.960 17.149 94 1HG GLU 14 1HG GLU 14 10.476 21.588 19.514 95 2HG GLU 14 2HG GLU 14 11.068 19.941 19.296 96 H TYR 15 H TYR 15 8.209 19.142 19.426 97 HA TYR 15 HA TYR 15 10.017 16.906 19.404 98 1HB TYR 15 1HB TYR 15 7.815 17.695 21.322 99 2HB TYR 15 2HB TYR 15 8.901 16.329 21.560 100 HD1 TYR 15 HD1 TYR 15 8.508 19.915 21.820 101 HD2 TYR 15 HD2 TYR 15 11.337 16.739 21.885 102 HE1 TYR 15 HE1 TYR 15 10.153 21.409 22.875 103 HE2 TYR 15 HE2 TYR 15 12.985 18.220 22.946 104 HH TYR 15 HH TYR 15 12.196 21.187 24.315 105 H THR 16 H THR 16 8.438 16.827 17.193 106 HA THR 16 HA THR 16 6.532 14.665 17.715 107 HB THR 16 HB THR 16 6.945 16.091 15.091 108 HG1 THR 16 HG1 THR 16 6.117 17.164 17.416 109 1HG2 THR 16 1HG2 THR 16 4.544 14.790 16.374 110 2HG2 THR 16 2HG2 THR 16 5.544 14.070 15.113 111 3HG2 THR 16 3HG2 THR 16 4.591 15.514 14.768 112 H TYR 17 H TYR 17 6.769 12.685 16.645 113 HA TYR 17 HA TYR 17 9.115 12.186 15.047 114 1HB TYR 17 1HB TYR 17 10.155 10.591 16.491 115 2HB TYR 17 2HB TYR 17 9.882 12.030 17.460 116 HD1 TYR 17 HD1 TYR 17 8.136 12.014 19.248 117 HD2 TYR 17 HD2 TYR 17 9.064 8.524 16.987 118 HE1 TYR 17 HE1 TYR 17 7.021 10.626 20.932 119 HE2 TYR 17 HE2 TYR 17 7.938 7.130 18.667 120 HH TYR 17 HH TYR 17 7.323 7.248 21.050 121 H GLU 18 H GLU 18 9.141 9.612 14.633 122 HA GLU 18 HA GLU 18 6.327 8.944 14.133 123 1HB GLU 18 1HB GLU 18 7.213 7.464 12.320 124 2HB GLU 18 2HB GLU 18 7.494 9.179 12.064 125 1HG GLU 18 1HG GLU 18 9.586 8.581 11.598 126 2HG GLU 18 2HG GLU 18 9.777 8.407 13.342 127 H ASP 19 H ASP 19 5.484 7.331 15.182 128 HA ASP 19 HA ASP 19 7.224 5.197 16.182 129 1HB ASP 19 1HB ASP 19 6.121 6.459 18.001 130 2HB ASP 19 2HB ASP 19 4.551 6.114 17.282 131 H GLY 20 H GLY 20 7.043 4.193 14.091 132 1HA GLY 20 1HA GLY 20 6.147 2.235 13.134 133 2HA GLY 20 2HA GLY 20 4.624 2.566 13.943 134 H ALA 21 H ALA 21 3.015 3.366 12.774 135 HA ALA 21 HA ALA 21 3.642 4.026 9.971 136 1HB ALA 21 1HB ALA 21 2.348 1.979 10.306 137 2HB ALA 21 2HB ALA 21 1.424 3.195 9.423 138 3HB ALA 21 3HB ALA 21 1.097 2.908 11.132 139 H LEU 22 H LEU 22 3.358 5.838 12.426 140 HA LEU 22 HA LEU 22 1.855 7.888 11.095 141 1HB LEU 22 1HB LEU 22 0.210 8.307 12.703 142 2HB LEU 22 2HB LEU 22 0.158 6.574 12.460 143 HG LEU 22 HG LEU 22 1.575 7.902 14.773 144 1HD1 LEU 22 1HD1 LEU 22 -1.174 6.692 14.610 145 2HD1 LEU 22 2HD1 LEU 22 -0.778 8.386 14.913 146 3HD1 LEU 22 3HD1 LEU 22 -0.356 7.151 16.101 147 1HD2 LEU 22 1HD2 LEU 22 2.406 5.670 14.234 148 2HD2 LEU 22 2HD2 LEU 22 0.761 5.036 14.299 149 3HD2 LEU 22 3HD2 LEU 22 1.520 5.672 15.759 150 H LEU 23 H LEU 23 1.740 9.831 12.873 151 HA LEU 23 HA LEU 23 4.420 10.002 14.090 152 1HB LEU 23 1HB LEU 23 2.678 12.356 13.406 153 2HB LEU 23 2HB LEU 23 4.402 12.333 13.717 154 HG LEU 23 HG LEU 23 3.059 11.197 11.263 155 1HD1 LEU 23 1HD1 LEU 23 2.947 13.618 11.331 156 2HD1 LEU 23 2HD1 LEU 23 4.099 13.083 10.108 157 3HD1 LEU 23 3HD1 LEU 23 4.678 13.704 11.654 158 1HD2 LEU 23 1HD2 LEU 23 5.982 11.534 11.919 159 2HD2 LEU 23 2HD2 LEU 23 5.322 10.965 10.386 160 3HD2 LEU 23 3HD2 LEU 23 5.110 10.002 11.849 161 H VAL 24 H VAL 24 4.517 10.489 16.289 162 HA VAL 24 HA VAL 24 1.967 11.190 17.552 163 HB VAL 24 HB VAL 24 2.014 9.582 19.140 164 1HG1 VAL 24 1HG1 VAL 24 3.723 8.272 17.040 165 2HG1 VAL 24 2HG1 VAL 24 1.961 8.361 17.061 166 3HG1 VAL 24 3HG1 VAL 24 2.811 7.427 18.293 167 1HG2 VAL 24 1HG2 VAL 24 4.062 10.283 20.210 168 2HG2 VAL 24 2HG2 VAL 24 5.018 9.460 18.976 169 3HG2 VAL 24 3HG2 VAL 24 4.015 8.524 20.084 170 H CYS 25 H CYS 25 2.063 12.631 19.192 171 HA CYS 25 HA CYS 25 4.633 13.991 19.548 172 1HB CYS 25 1HB CYS 25 2.800 15.327 18.634 173 2HB CYS 25 2HB CYS 25 1.787 14.895 20.003 174 HA PRO 26 HA PRO 26 4.431 11.975 23.581 175 1HB PRO 26 1HB PRO 26 6.936 12.743 24.338 176 2HB PRO 26 2HB PRO 26 6.617 11.341 23.313 177 1HG PRO 26 1HG PRO 26 7.474 14.098 22.539 178 2HG PRO 26 2HG PRO 26 8.031 12.535 21.913 179 1HD PRO 26 1HD PRO 26 6.246 14.076 20.590 180 2HD PRO 26 2HD PRO 26 6.203 12.301 20.524 181 H GLU 27 H GLU 27 4.802 15.227 22.664 182 HA GLU 27 HA GLU 27 5.082 16.365 25.254 183 1HB GLU 27 1HB GLU 27 5.852 17.517 23.226 184 2HB GLU 27 2HB GLU 27 4.190 17.645 22.666 185 1HG GLU 27 1HG GLU 27 3.630 19.194 24.325 186 2HG GLU 27 2HG GLU 27 5.063 18.818 25.279 187 H CYS 28 H CYS 28 2.241 16.498 22.970 188 HA CYS 28 HA CYS 28 0.608 17.011 25.321 189 1HB CYS 28 1HB CYS 28 -1.160 17.607 23.737 190 2HB CYS 28 2HB CYS 28 0.318 18.504 23.415 191 H ALA 29 H ALA 29 1.647 14.172 24.143 192 HA ALA 29 HA ALA 29 0.884 12.077 24.187 193 1HB ALA 29 1HB ALA 29 0.366 12.726 26.489 194 2HB ALA 29 2HB ALA 29 -0.777 11.534 25.869 195 3HB ALA 29 3HB ALA 29 -1.245 13.230 25.979 196 H HIS 30 H HIS 30 0.090 13.370 21.891 197 HA HIS 30 HA HIS 30 -2.426 11.955 21.382 198 1HB HIS 30 1HB HIS 30 -2.932 14.380 21.618 199 2HB HIS 30 2HB HIS 30 -1.821 14.712 20.294 200 HD1 HIS 30 HD1 HIS 30 -5.188 13.218 21.023 201 HD2 HIS 30 HD2 HIS 30 -2.823 14.192 17.740 202 HE1 HIS 30 HE1 HIS 30 -6.685 12.999 19.015 203 HE2 HIS 30 HE2 HIS 30 -5.164 13.330 17.038 204 H GLU 31 H GLU 31 -2.215 10.567 19.795 205 HA GLU 31 HA GLU 31 0.053 10.776 17.962 206 1HB GLU 31 1HB GLU 31 -1.991 8.559 18.230 207 2HB GLU 31 2HB GLU 31 -0.450 8.481 17.388 208 1HG GLU 31 1HG GLU 31 0.742 8.695 19.488 209 2HG GLU 31 2HG GLU 31 -0.783 8.860 20.356 210 H TRP 32 H TRP 32 -0.222 10.896 15.686 211 HA TRP 32 HA TRP 32 -2.902 11.173 14.624 212 1HB TRP 32 1HB TRP 32 -2.928 13.427 14.189 213 2HB TRP 32 2HB TRP 32 -1.972 13.442 15.664 214 HD1 TRP 32 HD1 TRP 32 0.902 13.059 14.842 215 HE1 TRP 32 HE1 TRP 32 2.129 14.619 13.188 216 HE3 TRP 32 HE3 TRP 32 -3.150 15.065 12.466 217 HZ2 TRP 32 HZ2 TRP 32 1.455 16.459 11.161 218 HZ3 TRP 32 HZ3 TRP 32 -2.775 16.721 10.688 219 HH2 TRP 32 HH2 TRP 32 -0.521 17.403 10.048 220 H SER 33 H SER 33 -2.861 11.434 12.265 221 HA SER 33 HA SER 33 -0.323 10.502 11.127 222 1HB SER 33 1HB SER 33 -1.910 9.744 9.208 223 2HB SER 33 2HB SER 33 -1.840 8.792 10.692 224 HG SER 33 HG SER 33 -3.720 9.900 11.397 225 HA PRO 34 HA PRO 34 0.338 14.439 9.535 226 1HB PRO 34 1HB PRO 34 1.497 13.752 7.082 227 2HB PRO 34 2HB PRO 34 2.339 13.944 8.620 228 1HG PRO 34 1HG PRO 34 1.435 11.468 7.254 229 2HG PRO 34 2HG PRO 34 2.848 11.734 8.287 230 1HD PRO 34 1HD PRO 34 0.655 10.423 9.152 231 2HD PRO 34 2HD PRO 34 1.638 11.433 10.223 232 H ASN 35 H ASN 35 -0.921 12.211 7.065 233 HA ASN 35 HA ASN 35 -2.630 14.434 6.106 234 1HB ASN 35 1HB ASN 35 -0.971 12.482 4.563 235 2HB ASN 35 2HB ASN 35 -2.490 13.031 3.865 236 1HD2 ASN 35 1HD2 ASN 35 -0.750 15.193 5.928 237 2HD2 ASN 35 2HD2 ASN 35 -0.152 16.233 4.680 238 H GLU 36 H GLU 36 -2.305 11.118 6.950 239 HA GLU 36 HA GLU 36 -4.690 10.132 5.828 240 1HB GLU 36 1HB GLU 36 -3.269 9.039 8.256 241 2HB GLU 36 2HB GLU 36 -4.293 8.161 7.131 242 1HG GLU 36 1HG GLU 36 -2.238 7.501 6.404 243 2HG GLU 36 2HG GLU 36 -2.483 8.916 5.385 244 H ALA 37 H ALA 37 -4.045 11.904 8.746 245 HA ALA 37 HA ALA 37 -6.362 11.218 10.202 246 1HB ALA 37 1HB ALA 37 -5.952 13.245 11.492 247 2HB ALA 37 2HB ALA 37 -4.808 13.803 10.270 248 3HB ALA 37 3HB ALA 37 -4.450 12.361 11.219 249 H ALA 38 H ALA 38 -5.720 13.674 7.763 250 HA ALA 38 HA ALA 38 -8.401 14.724 7.866 251 1HB ALA 38 1HB ALA 38 -6.237 15.124 5.798 252 2HB ALA 38 2HB ALA 38 -6.524 16.154 7.200 253 3HB ALA 38 3HB ALA 38 -7.735 16.047 5.922 254 H THR 39 H THR 39 -6.539 12.470 5.959 255 HA THR 39 HA THR 39 -7.114 10.736 4.626 256 HB THR 39 HB THR 39 -10.022 11.296 5.199 257 HG1 THR 39 HG1 THR 39 -8.011 10.365 6.869 258 1HG2 THR 39 1HG2 THR 39 -8.527 8.763 4.519 259 2HG2 THR 39 2HG2 THR 39 -9.579 9.669 3.432 260 3HG2 THR 39 3HG2 THR 39 -10.253 8.876 4.855 261 H ALA 40 H ALA 40 -7.771 10.342 2.497 262 HA ALA 40 HA ALA 40 -8.184 12.748 0.931 263 1HB ALA 40 1HB ALA 40 -6.457 11.146 0.238 264 2HB ALA 40 2HB ALA 40 -7.701 11.332 -0.999 265 3HB ALA 40 3HB ALA 40 -7.693 9.905 0.037 266 H SER 41 H SER 41 -10.268 13.365 1.017 267 HA SER 41 HA SER 41 -12.422 11.464 1.013 268 1HB SER 41 1HB SER 41 -12.450 13.720 2.185 269 2HB SER 41 2HB SER 41 -12.620 14.453 0.590 270 HG SER 41 HG SER 41 -14.585 13.459 0.338 271 H ASP 42 H ASP 42 -12.626 10.336 -0.827 272 HA ASP 42 HA ASP 42 -12.999 11.806 -3.334 273 1HB ASP 42 1HB ASP 42 -10.595 10.954 -3.065 274 2HB ASP 42 2HB ASP 42 -11.266 9.332 -3.170 275 H ASP 43 H ASP 43 -14.026 10.405 -5.007 276 HA ASP 43 HA ASP 43 -16.014 8.684 -3.748 277 1HB ASP 43 1HB ASP 43 -15.757 9.874 -6.503 278 2HB ASP 43 2HB ASP 43 -16.947 8.631 -6.143 279 H GLY 44 H GLY 44 -13.040 8.343 -5.277 280 1HA GLY 44 1HA GLY 44 -11.935 6.302 -5.689 281 2HA GLY 44 2HA GLY 44 -13.493 5.477 -5.674 282 H LYS 45 H LYS 45 -11.939 8.093 -7.488 283 HA LYS 45 HA LYS 45 -13.453 7.369 -9.852 284 1HB LYS 45 1HB LYS 45 -11.440 9.583 -9.419 285 2HB LYS 45 2HB LYS 45 -12.510 9.413 -10.805 286 1HG LYS 45 1HG LYS 45 -14.447 9.734 -9.381 287 2HG LYS 45 2HG LYS 45 -13.405 9.833 -7.961 288 1HD LYS 45 1HD LYS 45 -14.072 12.055 -8.686 289 2HD LYS 45 2HD LYS 45 -12.334 11.833 -8.901 290 1HE LYS 45 1HE LYS 45 -12.682 11.379 -11.276 291 2HE LYS 45 2HE LYS 45 -14.422 11.570 -11.064 292 1HZ LYS 45 1HZ LYS 45 -12.403 13.694 -10.573 293 2HZ LYS 45 2HZ LYS 45 -14.086 13.865 -10.452 294 3HZ LYS 45 3HZ LYS 45 -13.370 13.567 -11.962 295 H VAL 46 H VAL 46 -10.218 7.049 -8.615 296 HA VAL 46 HA VAL 46 -9.482 5.643 -11.078 297 HB VAL 46 HB VAL 46 -8.564 7.937 -11.193 298 1HG1 VAL 46 1HG1 VAL 46 -8.268 8.375 -8.825 299 2HG1 VAL 46 2HG1 VAL 46 -6.750 8.607 -9.693 300 3HG1 VAL 46 3HG1 VAL 46 -7.006 7.146 -8.738 301 1HG2 VAL 46 1HG2 VAL 46 -7.412 6.160 -12.342 302 2HG2 VAL 46 2HG2 VAL 46 -6.517 5.754 -10.879 303 3HG2 VAL 46 3HG2 VAL 46 -6.241 7.300 -11.681 304 H ILE 47 H ILE 47 -7.908 4.011 -10.823 305 HA ILE 47 HA ILE 47 -7.924 2.859 -8.131 306 HB ILE 47 HB ILE 47 -6.834 1.360 -10.474 307 1HG1 ILE 47 1HG1 ILE 47 -8.845 2.454 -11.391 308 2HG1 ILE 47 2HG1 ILE 47 -9.049 0.713 -11.257 309 1HG2 ILE 47 1HG2 ILE 47 -8.114 -0.501 -9.358 310 2HG2 ILE 47 2HG2 ILE 47 -8.516 0.646 -8.077 311 3HG2 ILE 47 3HG2 ILE 47 -6.831 0.224 -8.384 312 1HD1 ILE 47 1HD1 ILE 47 -11.064 1.893 -10.609 313 2HD1 ILE 47 2HD1 ILE 47 -10.167 2.775 -9.372 314 3HD1 ILE 47 3HD1 ILE 47 -10.376 1.029 -9.234 315 H LYS 48 H LYS 48 -6.065 2.390 -7.005 316 HA LYS 48 HA LYS 48 -3.544 3.370 -8.152 317 1HB LYS 48 1HB LYS 48 -4.701 3.382 -5.434 318 2HB LYS 48 2HB LYS 48 -2.978 3.054 -5.529 319 1HG LYS 48 1HG LYS 48 -2.648 5.242 -5.601 320 2HG LYS 48 2HG LYS 48 -3.401 5.251 -7.197 321 1HD LYS 48 1HD LYS 48 -4.925 5.479 -4.607 322 2HD LYS 48 2HD LYS 48 -4.411 6.860 -5.579 323 1HE LYS 48 1HE LYS 48 -5.821 6.281 -7.351 324 2HE LYS 48 2HE LYS 48 -6.039 4.636 -6.757 325 1HZ LYS 48 1HZ LYS 48 -7.994 6.003 -6.375 326 2HZ LYS 48 2HZ LYS 48 -7.078 7.087 -5.442 327 3HZ LYS 48 3HZ LYS 48 -7.308 5.485 -4.910 328 H ASP 49 H ASP 49 -1.599 2.238 -7.048 329 HA ASP 49 HA ASP 49 -2.040 -0.678 -7.061 330 1HB ASP 49 1HB ASP 49 0.500 0.794 -7.745 331 2HB ASP 49 2HB ASP 49 0.211 -0.928 -7.918 332 H SER 50 H SER 50 -0.178 -1.835 -5.906 333 HA SER 50 HA SER 50 -0.086 -1.038 -3.161 334 1HB SER 50 1HB SER 50 -0.009 -3.403 -3.935 335 2HB SER 50 2HB SER 50 1.605 -3.111 -4.576 336 HG SER 50 HG SER 50 1.875 -2.328 -2.187 337 H VAL 51 H VAL 51 1.531 0.008 -5.735 338 HA VAL 51 HA VAL 51 4.155 0.440 -4.515 339 HB VAL 51 HB VAL 51 3.294 1.542 -7.168 340 1HG1 VAL 51 1HG1 VAL 51 5.440 2.266 -6.349 341 2HG1 VAL 51 2HG1 VAL 51 5.666 1.170 -7.717 342 3HG1 VAL 51 3HG1 VAL 51 5.929 0.595 -6.070 343 1HG2 VAL 51 1HG2 VAL 51 2.606 -0.785 -7.094 344 2HG2 VAL 51 2HG2 VAL 51 4.239 -1.256 -6.619 345 3HG2 VAL 51 3HG2 VAL 51 3.951 -0.545 -8.208 346 H GLY 52 H GLY 52 1.199 1.947 -4.820 347 1HA GLY 52 1HA GLY 52 0.546 3.933 -3.741 348 2HA GLY 52 2HA GLY 52 2.232 4.436 -3.704 349 H ASN 53 H ASN 53 1.656 3.272 -6.727 350 HA ASN 53 HA ASN 53 1.311 5.979 -7.726 351 1HB ASN 53 1HB ASN 53 1.792 4.716 -10.002 352 2HB ASN 53 2HB ASN 53 3.080 5.218 -8.924 353 1HD2 ASN 53 1HD2 ASN 53 0.918 2.364 -8.697 354 2HD2 ASN 53 2HD2 ASN 53 2.219 1.221 -8.767 355 H VAL 54 H VAL 54 0.091 6.228 -9.714 356 HA VAL 54 HA VAL 54 -2.579 5.007 -9.324 357 HB VAL 54 HB VAL 54 -2.114 7.759 -10.446 358 1HG1 VAL 54 1HG1 VAL 54 -4.450 8.099 -9.751 359 2HG1 VAL 54 2HG1 VAL 54 -4.517 6.412 -9.234 360 3HG1 VAL 54 3HG1 VAL 54 -4.266 6.806 -10.936 361 1HG2 VAL 54 1HG2 VAL 54 -1.143 7.726 -8.213 362 2HG2 VAL 54 2HG2 VAL 54 -2.634 7.043 -7.563 363 3HG2 VAL 54 3HG2 VAL 54 -2.630 8.675 -8.233 364 H LEU 55 H LEU 55 -3.742 4.309 -11.159 365 HA LEU 55 HA LEU 55 -2.029 3.865 -13.452 366 1HB LEU 55 1HB LEU 55 -4.672 2.650 -12.627 367 2HB LEU 55 2HB LEU 55 -3.678 2.117 -13.973 368 HG LEU 55 HG LEU 55 -2.548 2.163 -11.226 369 1HD1 LEU 55 1HD1 LEU 55 -4.668 0.934 -11.065 370 2HD1 LEU 55 2HD1 LEU 55 -3.239 -0.064 -10.781 371 3HD1 LEU 55 3HD1 LEU 55 -4.089 -0.153 -12.331 372 1HD2 LEU 55 1HD2 LEU 55 -1.258 0.258 -12.168 373 2HD2 LEU 55 2HD2 LEU 55 -0.983 1.814 -12.953 374 3HD2 LEU 55 3HD2 LEU 55 -2.017 0.612 -13.722 375 H GLN 56 H GLN 56 -3.278 3.619 -15.539 376 HA GLN 56 HA GLN 56 -5.297 5.736 -15.897 377 1HB GLN 56 1HB GLN 56 -3.071 6.330 -16.868 378 2HB GLN 56 2HB GLN 56 -3.143 4.878 -17.853 379 1HG GLN 56 1HG GLN 56 -5.386 5.909 -18.694 380 2HG GLN 56 2HG GLN 56 -4.685 7.411 -18.093 381 1HE2 GLN 56 1HE2 GLN 56 -4.484 4.896 -20.444 382 2HE2 GLN 56 2HE2 GLN 56 -3.306 5.647 -21.472 383 H ASP 57 H ASP 57 -7.036 5.160 -17.307 384 HA ASP 57 HA ASP 57 -7.509 2.381 -17.616 385 1HB ASP 57 1HB ASP 57 -9.563 2.962 -18.689 386 2HB ASP 57 2HB ASP 57 -9.326 4.087 -17.367 387 H GLY 58 H GLY 58 -6.286 1.235 -18.854 388 1HA GLY 58 1HA GLY 58 -5.969 0.501 -21.186 389 2HA GLY 58 2HA GLY 58 -5.724 2.195 -21.593 390 H ASP 59 H ASP 59 -4.340 1.950 -18.697 391 HA ASP 59 HA ASP 59 -1.670 1.806 -19.721 392 1HB ASP 59 1HB ASP 59 -2.706 3.069 -17.609 393 2HB ASP 59 2HB ASP 59 -2.220 1.587 -16.796 394 H THR 60 H THR 60 -0.056 0.369 -18.523 395 HA THR 60 HA THR 60 -1.133 -2.365 -18.518 396 HB THR 60 HB THR 60 1.737 -1.483 -18.900 397 HG1 THR 60 HG1 THR 60 1.303 -1.294 -20.970 398 1HG2 THR 60 1HG2 THR 60 0.389 -4.146 -19.356 399 2HG2 THR 60 2HG2 THR 60 1.517 -3.763 -18.055 400 3HG2 THR 60 3HG2 THR 60 2.071 -3.768 -19.730 401 H ILE 61 H ILE 61 -0.799 -3.671 -16.743 402 HA ILE 61 HA ILE 61 0.502 -2.358 -14.451 403 HB ILE 61 HB ILE 61 -1.129 -3.258 -12.948 404 1HG1 ILE 61 1HG1 ILE 61 -3.227 -4.360 -14.205 405 2HG1 ILE 61 2HG1 ILE 61 -1.955 -4.874 -15.306 406 1HG2 ILE 61 1HG2 ILE 61 -3.155 -2.111 -13.679 407 2HG2 ILE 61 2HG2 ILE 61 -2.524 -2.042 -15.325 408 3HG2 ILE 61 3HG2 ILE 61 -1.710 -1.165 -14.032 409 1HD1 ILE 61 1HD1 ILE 61 -0.774 -5.914 -13.432 410 2HD1 ILE 61 2HD1 ILE 61 -2.391 -6.584 -13.661 411 3HD1 ILE 61 3HD1 ILE 61 -2.087 -5.438 -12.354 412 H THR 62 H THR 62 1.271 -3.936 -12.782 413 HA THR 62 HA THR 62 1.529 -6.678 -13.709 414 HB THR 62 HB THR 62 3.782 -4.763 -13.271 415 HG1 THR 62 HG1 THR 62 2.759 -5.765 -15.358 416 1HG2 THR 62 1HG2 THR 62 3.970 -7.757 -12.931 417 2HG2 THR 62 2HG2 THR 62 4.283 -6.531 -11.699 418 3HG2 THR 62 3HG2 THR 62 5.347 -6.669 -13.100 419 H VAL 63 H VAL 63 0.862 -7.901 -12.098 420 HA VAL 63 HA VAL 63 0.601 -7.118 -9.414 421 HB VAL 63 HB VAL 63 -0.394 -9.186 -10.810 422 1HG1 VAL 63 1HG1 VAL 63 1.633 -10.409 -11.051 423 2HG1 VAL 63 2HG1 VAL 63 0.548 -11.295 -9.977 424 3HG1 VAL 63 3HG1 VAL 63 1.903 -10.381 -9.308 425 1HG2 VAL 63 1HG2 VAL 63 -1.221 -8.413 -8.648 426 2HG2 VAL 63 2HG2 VAL 63 0.095 -9.267 -7.839 427 3HG2 VAL 63 3HG2 VAL 63 -1.140 -10.174 -8.711 428 H ILE 64 H ILE 64 2.141 -6.877 -7.904 429 HA ILE 64 HA ILE 64 4.767 -7.964 -8.432 430 HB ILE 64 HB ILE 64 5.605 -6.450 -6.761 431 1HG1 ILE 64 1HG1 ILE 64 3.422 -6.702 -5.336 432 2HG1 ILE 64 2HG1 ILE 64 4.335 -5.203 -5.265 433 1HG2 ILE 64 1HG2 ILE 64 5.218 -5.575 -8.995 434 2HG2 ILE 64 2HG2 ILE 64 4.973 -4.321 -7.776 435 3HG2 ILE 64 3HG2 ILE 64 3.582 -5.099 -8.534 436 1HD1 ILE 64 1HD1 ILE 64 2.730 -4.295 -6.970 437 2HD1 ILE 64 2HD1 ILE 64 2.067 -4.629 -5.373 438 3HD1 ILE 64 3HD1 ILE 64 1.762 -5.745 -6.697 439 H LYS 65 H LYS 65 2.388 -9.607 -7.192 440 HA LYS 65 HA LYS 65 4.024 -10.721 -5.091 441 1HB LYS 65 1HB LYS 65 1.499 -9.294 -4.658 442 2HB LYS 65 2HB LYS 65 1.477 -10.935 -4.031 443 1HG LYS 65 1HG LYS 65 2.289 -9.907 -2.202 444 2HG LYS 65 2HG LYS 65 3.818 -10.155 -3.038 445 1HD LYS 65 1HD LYS 65 3.754 -7.903 -2.216 446 2HD LYS 65 2HD LYS 65 3.606 -7.856 -3.973 447 1HE LYS 65 1HE LYS 65 1.322 -7.338 -3.881 448 2HE LYS 65 2HE LYS 65 1.185 -7.854 -2.201 449 1HZ LYS 65 1HZ LYS 65 2.407 -5.948 -1.491 450 2HZ LYS 65 2HZ LYS 65 1.162 -5.409 -2.509 451 3HZ LYS 65 3HZ LYS 65 2.755 -5.490 -3.083 452 H ASP 66 H ASP 66 3.282 -12.896 -4.549 453 HA ASP 66 HA ASP 66 2.096 -14.291 -6.758 454 1HB ASP 66 1HB ASP 66 2.463 -16.325 -5.413 455 2HB ASP 66 2HB ASP 66 3.914 -15.335 -5.512 456 H LEU 67 H LEU 67 0.057 -14.345 -7.129 457 HA LEU 67 HA LEU 67 -1.835 -14.700 -4.892 458 1HB LEU 67 1HB LEU 67 -2.470 -13.274 -7.470 459 2HB LEU 67 2HB LEU 67 -3.472 -13.380 -6.039 460 HG LEU 67 HG LEU 67 -0.961 -11.761 -6.397 461 1HD1 LEU 67 1HD1 LEU 67 -2.958 -10.800 -7.370 462 2HD1 LEU 67 2HD1 LEU 67 -2.477 -9.894 -5.935 463 3HD1 LEU 67 3HD1 LEU 67 -3.829 -11.021 -5.852 464 1HD2 LEU 67 1HD2 LEU 67 -2.589 -12.226 -3.903 465 2HD2 LEU 67 2HD2 LEU 67 -1.337 -10.996 -4.086 466 3HD2 LEU 67 3HD2 LEU 67 -0.912 -12.707 -4.182 467 H LYS 68 H LYS 68 -3.276 -16.366 -5.184 468 HA LYS 68 HA LYS 68 -3.120 -17.856 -7.671 469 1HB LYS 68 1HB LYS 68 -4.374 -19.563 -6.570 470 2HB LYS 68 2HB LYS 68 -3.169 -18.980 -5.432 471 1HG LYS 68 1HG LYS 68 -4.895 -17.581 -4.364 472 2HG LYS 68 2HG LYS 68 -6.094 -18.264 -5.465 473 1HD LYS 68 1HD LYS 68 -6.289 -19.506 -3.477 474 2HD LYS 68 2HD LYS 68 -5.383 -20.536 -4.588 475 1HE LYS 68 1HE LYS 68 -3.285 -19.764 -3.521 476 2HE LYS 68 2HE LYS 68 -4.246 -18.842 -2.365 477 1HZ LYS 68 1HZ LYS 68 -3.768 -20.824 -1.277 478 2HZ LYS 68 2HZ LYS 68 -4.028 -21.774 -2.656 479 3HZ LYS 68 3HZ LYS 68 -5.346 -21.071 -1.853 480 H VAL 69 H VAL 69 -5.344 -18.742 -8.461 481 HA VAL 69 HA VAL 69 -7.367 -16.609 -8.412 482 HB VAL 69 HB VAL 69 -6.776 -18.360 -10.822 483 1HG1 VAL 69 1HG1 VAL 69 -8.543 -15.931 -10.572 484 2HG1 VAL 69 2HG1 VAL 69 -9.109 -17.599 -10.542 485 3HG1 VAL 69 3HG1 VAL 69 -8.338 -16.958 -11.993 486 1HG2 VAL 69 1HG2 VAL 69 -6.102 -15.443 -10.437 487 2HG2 VAL 69 2HG2 VAL 69 -5.892 -16.375 -11.921 488 3HG2 VAL 69 3HG2 VAL 69 -4.945 -16.774 -10.489 489 H LYS 70 H LYS 70 -9.349 -17.423 -7.755 490 HA LYS 70 HA LYS 70 -9.302 -20.224 -7.022 491 1HB LYS 70 1HB LYS 70 -11.349 -19.633 -5.734 492 2HB LYS 70 2HB LYS 70 -9.919 -18.715 -5.293 493 1HG LYS 70 1HG LYS 70 -10.907 -16.990 -7.018 494 2HG LYS 70 2HG LYS 70 -12.413 -17.826 -6.638 495 1HD LYS 70 1HD LYS 70 -10.545 -16.570 -4.628 496 2HD LYS 70 2HD LYS 70 -12.055 -15.865 -5.202 497 1HE LYS 70 1HE LYS 70 -13.330 -17.638 -4.216 498 2HE LYS 70 2HE LYS 70 -11.863 -18.529 -3.809 499 1HZ LYS 70 1HZ LYS 70 -11.252 -16.841 -2.251 500 2HZ LYS 70 2HZ LYS 70 -12.844 -17.318 -1.909 501 3HZ LYS 70 3HZ LYS 70 -12.548 -15.854 -2.714 502 H GLY 71 H GLY 71 -11.176 -18.086 -9.110 503 1HA GLY 71 1HA GLY 71 -13.102 -20.113 -9.769 504 2HA GLY 71 2HA GLY 71 -12.885 -18.575 -10.596 505 H SER 72 H SER 72 -10.071 -19.025 -11.044 506 HA SER 72 HA SER 72 -10.325 -20.855 -13.327 507 1HB SER 72 1HB SER 72 -8.402 -18.561 -12.898 508 2HB SER 72 2HB SER 72 -8.541 -19.531 -14.362 509 HG SER 72 HG SER 72 -10.957 -18.712 -13.915 510 H SER 73 H SER 73 -8.037 -21.670 -14.055 511 HA SER 73 HA SER 73 -6.874 -23.008 -11.720 512 1HB SER 73 1HB SER 73 -6.497 -23.599 -14.665 513 2HB SER 73 2HB SER 73 -5.980 -24.611 -13.316 514 HG SER 73 HG SER 73 -8.581 -24.090 -13.022 515 H LEU 74 H LEU 74 -6.310 -20.370 -13.616 516 HA LEU 74 HA LEU 74 -3.466 -20.533 -13.859 517 1HB LEU 74 1HB LEU 74 -5.562 -18.623 -14.540 518 2HB LEU 74 2HB LEU 74 -4.089 -17.848 -14.002 519 HG LEU 74 HG LEU 74 -2.818 -18.971 -15.748 520 1HD1 LEU 74 1HD1 LEU 74 -5.448 -20.192 -16.570 521 2HD1 LEU 74 2HD1 LEU 74 -4.088 -21.051 -15.849 522 3HD1 LEU 74 3HD1 LEU 74 -3.924 -20.324 -17.447 523 1HD2 LEU 74 1HD2 LEU 74 -3.852 -16.828 -16.265 524 2HD2 LEU 74 2HD2 LEU 74 -5.318 -17.652 -16.798 525 3HD2 LEU 74 3HD2 LEU 74 -3.811 -17.867 -17.690 526 H VAL 75 H VAL 75 -1.916 -19.692 -12.592 527 HA VAL 75 HA VAL 75 -2.713 -18.456 -10.059 528 HB VAL 75 HB VAL 75 -0.083 -19.775 -10.767 529 1HG1 VAL 75 1HG1 VAL 75 0.163 -18.024 -9.088 530 2HG1 VAL 75 2HG1 VAL 75 0.396 -19.619 -8.372 531 3HG1 VAL 75 3HG1 VAL 75 -1.121 -18.754 -8.125 532 1HG2 VAL 75 1HG2 VAL 75 -0.806 -21.578 -9.270 533 2HG2 VAL 75 2HG2 VAL 75 -1.887 -21.404 -10.652 534 3HG2 VAL 75 3HG2 VAL 75 -2.368 -20.781 -9.074 535 H VAL 76 H VAL 76 -2.290 -16.412 -9.736 536 HA VAL 76 HA VAL 76 -0.975 -14.820 -11.740 537 HB VAL 76 HB VAL 76 -2.311 -14.114 -9.119 538 1HG1 VAL 76 1HG1 VAL 76 -0.578 -12.487 -9.550 539 2HG1 VAL 76 2HG1 VAL 76 -2.173 -11.782 -9.817 540 3HG1 VAL 76 3HG1 VAL 76 -1.176 -12.258 -11.194 541 1HG2 VAL 76 1HG2 VAL 76 -3.144 -13.724 -11.987 542 2HG2 VAL 76 2HG2 VAL 76 -4.033 -13.151 -10.575 543 3HG2 VAL 76 3HG2 VAL 76 -3.827 -14.882 -10.846 544 H LYS 77 H LYS 77 1.118 -14.463 -11.774 545 HA LYS 77 HA LYS 77 2.645 -14.818 -9.290 546 1HB LYS 77 1HB LYS 77 4.572 -15.399 -10.808 547 2HB LYS 77 2HB LYS 77 3.253 -16.555 -10.765 548 1HG LYS 77 1HG LYS 77 3.803 -16.435 -13.013 549 2HG LYS 77 2HG LYS 77 2.411 -15.362 -12.880 550 1HD LYS 77 1HD LYS 77 3.752 -13.435 -12.995 551 2HD LYS 77 2HD LYS 77 5.227 -14.347 -12.685 552 1HE LYS 77 1HE LYS 77 4.838 -15.522 -14.872 553 2HE LYS 77 2HE LYS 77 3.533 -14.376 -15.176 554 1HZ LYS 77 1HZ LYS 77 5.067 -12.585 -15.201 555 2HZ LYS 77 2HZ LYS 77 5.729 -13.792 -16.185 556 3HZ LYS 77 3HZ LYS 77 6.329 -13.552 -14.616 557 H VAL 78 H VAL 78 4.301 -13.450 -8.788 558 HA VAL 78 HA VAL 78 4.042 -10.733 -9.332 559 HB VAL 78 HB VAL 78 5.287 -11.343 -7.405 560 1HG1 VAL 78 1HG1 VAL 78 7.263 -12.717 -9.226 561 2HG1 VAL 78 2HG1 VAL 78 6.128 -13.506 -8.131 562 3HG1 VAL 78 3HG1 VAL 78 7.439 -12.522 -7.482 563 1HG2 VAL 78 1HG2 VAL 78 6.015 -9.262 -8.425 564 2HG2 VAL 78 2HG2 VAL 78 7.188 -10.133 -9.413 565 3HG2 VAL 78 3HG2 VAL 78 7.379 -10.078 -7.661 566 H GLY 79 H GLY 79 3.882 -10.201 -11.416 567 1HA GLY 79 1HA GLY 79 5.547 -9.131 -13.063 568 2HA GLY 79 2HA GLY 79 6.130 -10.785 -13.227 569 H THR 80 H THR 80 2.963 -10.886 -12.587 570 HA THR 80 HA THR 80 2.072 -11.681 -15.146 571 HB THR 80 HB THR 80 0.349 -10.660 -12.878 572 HG1 THR 80 HG1 THR 80 1.595 -12.517 -12.332 573 1HG2 THR 80 1HG2 THR 80 -0.354 -12.308 -15.312 574 2HG2 THR 80 2HG2 THR 80 -0.827 -10.635 -15.018 575 3HG2 THR 80 3HG2 THR 80 -1.449 -11.921 -13.983 576 H LYS 81 H LYS 81 2.247 -10.363 -16.789 577 HA LYS 81 HA LYS 81 1.732 -7.521 -16.436 578 1HB LYS 81 1HB LYS 81 3.706 -8.138 -17.746 579 2HB LYS 81 2HB LYS 81 2.684 -8.968 -18.916 580 1HG LYS 81 1HG LYS 81 1.591 -6.861 -19.472 581 2HG LYS 81 2HG LYS 81 2.580 -6.026 -18.280 582 1HD LYS 81 1HD LYS 81 3.434 -5.680 -20.523 583 2HD LYS 81 2HD LYS 81 4.586 -6.591 -19.548 584 1HE LYS 81 1HE LYS 81 3.985 -8.634 -20.630 585 2HE LYS 81 2HE LYS 81 2.634 -7.859 -21.458 586 1HZ LYS 81 1HZ LYS 81 4.660 -8.202 -22.847 587 2HZ LYS 81 2HZ LYS 81 5.466 -7.068 -21.875 588 3HZ LYS 81 3HZ LYS 81 4.115 -6.599 -22.784 589 H VAL 82 H VAL 82 -0.234 -6.741 -16.629 590 HA VAL 82 HA VAL 82 -1.914 -7.819 -18.780 591 HB VAL 82 HB VAL 82 -2.935 -6.737 -16.144 592 1HG1 VAL 82 1HG1 VAL 82 -4.492 -6.375 -17.931 593 2HG1 VAL 82 2HG1 VAL 82 -5.078 -7.701 -16.925 594 3HG1 VAL 82 3HG1 VAL 82 -4.319 -8.043 -18.478 595 1HG2 VAL 82 1HG2 VAL 82 -3.570 -9.050 -15.617 596 2HG2 VAL 82 2HG2 VAL 82 -1.823 -8.869 -15.774 597 3HG2 VAL 82 3HG2 VAL 82 -2.754 -9.600 -17.081 598 H LYS 83 H LYS 83 -2.160 -6.346 -20.274 599 HA LYS 83 HA LYS 83 -1.700 -3.548 -19.625 600 1HB LYS 83 1HB LYS 83 -1.291 -3.232 -22.009 601 2HB LYS 83 2HB LYS 83 -0.282 -4.518 -21.361 602 1HG LYS 83 1HG LYS 83 -1.799 -6.186 -22.296 603 2HG LYS 83 2HG LYS 83 -2.818 -4.897 -22.940 604 1HD LYS 83 1HD LYS 83 0.057 -5.445 -23.681 605 2HD LYS 83 2HD LYS 83 -1.361 -5.780 -24.677 606 1HE LYS 83 1HE LYS 83 -1.875 -3.376 -24.722 607 2HE LYS 83 2HE LYS 83 -0.432 -3.059 -23.759 608 1HZ LYS 83 1HZ LYS 83 0.880 -4.074 -25.568 609 2HZ LYS 83 2HZ LYS 83 0.063 -2.669 -26.046 610 3HZ LYS 83 3HZ LYS 83 -0.530 -4.191 -26.502 611 H ASN 84 H ASN 84 -2.990 -1.904 -20.491 612 HA ASN 84 HA ASN 84 -4.836 -0.843 -21.246 613 1HB ASN 84 1HB ASN 84 -5.391 -3.537 -22.494 614 2HB ASN 84 2HB ASN 84 -6.394 -2.116 -22.767 615 1HD2 ASN 84 1HD2 ASN 84 -4.707 -3.765 -24.573 616 2HD2 ASN 84 2HD2 ASN 84 -3.659 -2.630 -25.360 617 H ILE 85 H ILE 85 -4.926 -1.729 -18.532 618 HA ILE 85 HA ILE 85 -7.232 -3.130 -17.882 619 HB ILE 85 HB ILE 85 -6.916 -2.160 -15.659 620 1HG1 ILE 85 1HG1 ILE 85 -4.697 -0.463 -16.821 621 2HG1 ILE 85 2HG1 ILE 85 -6.330 0.158 -16.635 622 1HG2 ILE 85 1HG2 ILE 85 -5.483 -3.999 -16.346 623 2HG2 ILE 85 2HG2 ILE 85 -4.606 -2.896 -15.284 624 3HG2 ILE 85 3HG2 ILE 85 -4.318 -2.862 -17.025 625 1HD1 ILE 85 1HD1 ILE 85 -4.910 0.862 -14.789 626 2HD1 ILE 85 2HD1 ILE 85 -4.544 -0.821 -14.409 627 3HD1 ILE 85 3HD1 ILE 85 -6.188 -0.213 -14.218 628 H ARG 86 H ARG 86 -8.882 -2.083 -16.410 629 HA ARG 86 HA ARG 86 -9.850 0.514 -17.422 630 1HB ARG 86 1HB ARG 86 -11.181 -1.394 -18.356 631 2HB ARG 86 2HB ARG 86 -11.572 -1.878 -16.715 632 1HG ARG 86 1HG ARG 86 -13.431 -0.686 -17.593 633 2HG ARG 86 2HG ARG 86 -12.651 0.343 -16.390 634 1HD ARG 86 1HD ARG 86 -13.259 1.637 -18.356 635 2HD ARG 86 2HD ARG 86 -11.506 1.561 -18.179 636 HE ARG 86 HE ARG 86 -12.637 -0.462 -19.913 637 1HH1 ARG 86 1HH1 ARG 86 -11.321 2.775 -19.727 638 2HH1 ARG 86 2HH1 ARG 86 -10.851 2.819 -21.390 639 1HH2 ARG 86 1HH2 ARG 86 -12.034 -0.416 -22.092 640 2HH2 ARG 86 2HH2 ARG 86 -11.254 0.997 -22.752 641 H LEU 87 H LEU 87 -10.313 1.958 -15.756 642 HA LEU 87 HA LEU 87 -9.842 1.128 -13.062 643 1HB LEU 87 1HB LEU 87 -10.941 3.763 -14.036 644 2HB LEU 87 2HB LEU 87 -10.060 3.452 -12.552 645 HG LEU 87 HG LEU 87 -8.823 3.169 -15.288 646 1HD1 LEU 87 1HD1 LEU 87 -9.522 5.462 -15.025 647 2HD1 LEU 87 2HD1 LEU 87 -7.771 5.352 -14.844 648 3HD1 LEU 87 3HD1 LEU 87 -8.796 5.532 -13.420 649 1HD2 LEU 87 1HD2 LEU 87 -6.720 3.310 -14.053 650 2HD2 LEU 87 2HD2 LEU 87 -7.693 1.941 -13.515 651 3HD2 LEU 87 3HD2 LEU 87 -7.614 3.405 -12.535 652 H VAL 88 H VAL 88 -11.391 0.152 -11.860 653 HA VAL 88 HA VAL 88 -14.191 0.782 -12.499 654 HB VAL 88 HB VAL 88 -14.455 -1.563 -11.220 655 1HG1 VAL 88 1HG1 VAL 88 -14.583 -2.616 -13.420 656 2HG1 VAL 88 2HG1 VAL 88 -13.773 -1.220 -14.129 657 3HG1 VAL 88 3HG1 VAL 88 -15.371 -1.038 -13.403 658 1HG2 VAL 88 1HG2 VAL 88 -12.024 -1.836 -10.948 659 2HG2 VAL 88 2HG2 VAL 88 -11.852 -1.826 -12.704 660 3HG2 VAL 88 3HG2 VAL 88 -12.755 -3.119 -11.913 661 H ASP 89 H ASP 89 -15.198 1.950 -11.028 662 HA ASP 89 HA ASP 89 -16.445 2.240 -9.165 663 1HB ASP 89 1HB ASP 89 -16.493 -0.342 -9.812 664 2HB ASP 89 2HB ASP 89 -15.893 -0.462 -8.165 665 H GLY 90 H GLY 90 -13.556 2.708 -8.747 666 1HA GLY 90 1HA GLY 90 -13.483 3.976 -6.477 667 2HA GLY 90 2HA GLY 90 -13.548 2.359 -5.813 668 H ASP 91 H ASP 91 -11.709 2.153 -4.809 669 HA ASP 91 HA ASP 91 -9.221 3.031 -6.101 670 1HB ASP 91 1HB ASP 91 -9.721 4.020 -3.920 671 2HB ASP 91 2HB ASP 91 -9.829 2.416 -3.204 672 H HIS 92 H HIS 92 -10.822 0.252 -4.723 673 HA HIS 92 HA HIS 92 -8.398 -1.360 -5.079 674 1HB HIS 92 1HB HIS 92 -9.542 -3.035 -3.563 675 2HB HIS 92 2HB HIS 92 -9.018 -1.532 -2.824 676 HD1 HIS 92 HD1 HIS 92 -10.681 -0.394 -1.420 677 HD2 HIS 92 HD2 HIS 92 -12.460 -3.020 -4.107 678 HE1 HIS 92 HE1 HIS 92 -13.118 -0.467 -0.789 679 HE2 HIS 92 HE2 HIS 92 -14.098 -2.271 -2.251 680 H ASP 93 H ASP 93 -9.108 -1.276 -7.420 681 HA ASP 93 HA ASP 93 -10.634 -3.477 -8.243 682 1HB ASP 93 1HB ASP 93 -12.231 -1.261 -7.495 683 2HB ASP 93 2HB ASP 93 -12.384 -1.496 -9.231 684 H ILE 94 H ILE 94 -9.098 -3.861 -9.692 685 HA ILE 94 HA ILE 94 -8.994 -2.013 -11.984 686 HB ILE 94 HB ILE 94 -7.049 -4.213 -11.274 687 1HG1 ILE 94 1HG1 ILE 94 -5.644 -1.845 -11.279 688 2HG1 ILE 94 2HG1 ILE 94 -7.173 -1.387 -10.533 689 1HG2 ILE 94 1HG2 ILE 94 -7.194 -3.890 -13.664 690 2HG2 ILE 94 2HG2 ILE 94 -5.654 -3.284 -13.054 691 3HG2 ILE 94 3HG2 ILE 94 -6.944 -2.155 -13.465 692 1HD1 ILE 94 1HD1 ILE 94 -5.535 -2.048 -8.874 693 2HD1 ILE 94 2HD1 ILE 94 -5.382 -3.625 -9.649 694 3HD1 ILE 94 3HD1 ILE 94 -6.905 -3.159 -8.892 695 H ASP 95 H ASP 95 -10.278 -2.631 -13.595 696 HA ASP 95 HA ASP 95 -10.933 -5.448 -13.839 697 1HB ASP 95 1HB ASP 95 -12.661 -3.614 -13.972 698 2HB ASP 95 2HB ASP 95 -11.955 -3.151 -15.517 699 H CYS 96 H CYS 96 -10.258 -6.742 -15.416 700 HA CYS 96 HA CYS 96 -8.670 -5.650 -17.597 701 1HB CYS 96 1HB CYS 96 -6.781 -7.190 -17.057 702 2HB CYS 96 2HB CYS 96 -6.999 -5.892 -15.889 703 HG CYS 96 HG CYS 96 -8.719 -7.965 -14.426 704 H LYS 97 H LYS 97 -8.202 -7.207 -19.250 705 HA LYS 97 HA LYS 97 -10.015 -9.518 -19.173 706 1HB LYS 97 1HB LYS 97 -9.983 -9.339 -21.697 707 2HB LYS 97 2HB LYS 97 -10.806 -8.036 -20.854 708 1HG LYS 97 1HG LYS 97 -9.626 -6.737 -22.254 709 2HG LYS 97 2HG LYS 97 -8.339 -6.973 -21.072 710 1HD LYS 97 1HD LYS 97 -7.453 -7.366 -23.274 711 2HD LYS 97 2HD LYS 97 -7.534 -8.904 -22.414 712 1HE LYS 97 1HE LYS 97 -9.573 -9.485 -23.582 713 2HE LYS 97 2HE LYS 97 -9.596 -7.915 -24.381 714 1HZ LYS 97 1HZ LYS 97 -7.524 -10.022 -24.730 715 2HZ LYS 97 2HZ LYS 97 -7.513 -8.500 -25.480 716 3HZ LYS 97 3HZ LYS 97 -8.736 -9.615 -25.847 717 H ILE 98 H ILE 98 -9.192 -11.500 -19.503 718 HA ILE 98 HA ILE 98 -6.336 -11.651 -20.197 719 HB ILE 98 HB ILE 98 -7.769 -13.371 -18.164 720 1HG1 ILE 98 1HG1 ILE 98 -5.762 -12.301 -16.773 721 2HG1 ILE 98 2HG1 ILE 98 -5.985 -11.000 -17.936 722 1HG2 ILE 98 1HG2 ILE 98 -5.585 -14.366 -17.739 723 2HG2 ILE 98 2HG2 ILE 98 -4.893 -13.408 -19.049 724 3HG2 ILE 98 3HG2 ILE 98 -6.109 -14.636 -19.402 725 1HD1 ILE 98 1HD1 ILE 98 -8.082 -12.128 -16.108 726 2HD1 ILE 98 2HD1 ILE 98 -8.329 -10.837 -17.285 727 3HD1 ILE 98 3HD1 ILE 98 -7.244 -10.588 -15.916 728 H ASP 99 H ASP 99 -6.208 -12.545 -22.122 729 HA ASP 99 HA ASP 99 -8.249 -14.157 -23.265 730 1HB ASP 99 1HB ASP 99 -5.418 -13.536 -24.098 731 2HB ASP 99 2HB ASP 99 -6.458 -14.604 -25.033 732 H GLY 100 H GLY 100 -8.685 -16.060 -22.339 733 1HA GLY 100 1HA GLY 100 -7.475 -18.387 -22.647 734 2HA GLY 100 2HA GLY 100 -6.511 -17.720 -21.337 735 H ILE 101 H ILE 101 -8.452 -16.390 -19.919 736 HA ILE 101 HA ILE 101 -10.249 -18.566 -19.084 737 HB ILE 101 HB ILE 101 -10.125 -17.593 -16.773 738 1HG1 ILE 101 1HG1 ILE 101 -7.738 -16.113 -17.908 739 2HG1 ILE 101 2HG1 ILE 101 -9.253 -15.368 -17.411 740 1HG2 ILE 101 1HG2 ILE 101 -7.979 -18.647 -16.233 741 2HG2 ILE 101 2HG2 ILE 101 -7.557 -18.653 -17.946 742 3HG2 ILE 101 3HG2 ILE 101 -8.920 -19.614 -17.369 743 1HD1 ILE 101 1HD1 ILE 101 -7.345 -16.840 -15.607 744 2HD1 ILE 101 2HD1 ILE 101 -8.851 -16.063 -15.114 745 3HD1 ILE 101 3HD1 ILE 101 -7.516 -15.089 -15.731 746 H GLY 102 H GLY 102 -9.774 -15.073 -19.252 747 1HA GLY 102 1HA GLY 102 -11.882 -14.103 -20.447 748 2HA GLY 102 2HA GLY 102 -12.668 -14.659 -18.974 749 H ALA 103 H ALA 103 -13.242 -12.471 -18.460 750 HA ALA 103 HA ALA 103 -11.066 -10.607 -17.937 751 1HB ALA 103 1HB ALA 103 -13.120 -9.775 -18.977 752 2HB ALA 103 2HB ALA 103 -12.827 -9.003 -17.419 753 3HB ALA 103 3HB ALA 103 -14.040 -10.276 -17.559 754 H MET 104 H MET 104 -10.694 -9.671 -15.853 755 HA MET 104 HA MET 104 -11.771 -11.116 -13.564 756 1HB MET 104 1HB MET 104 -9.891 -12.509 -14.311 757 2HB MET 104 2HB MET 104 -8.820 -11.119 -14.241 758 1HG MET 104 1HG MET 104 -8.945 -11.031 -11.878 759 2HG MET 104 2HG MET 104 -10.269 -12.189 -11.837 760 1HE MET 104 1HE MET 104 -7.011 -12.338 -14.049 761 2HE MET 104 2HE MET 104 -5.938 -13.279 -13.015 762 3HE MET 104 3HE MET 104 -6.435 -11.658 -12.526 763 H LYS 105 H LYS 105 -10.881 -10.243 -11.513 764 HA LYS 105 HA LYS 105 -10.491 -7.332 -11.734 765 1HB LYS 105 1HB LYS 105 -11.656 -7.190 -9.535 766 2HB LYS 105 2HB LYS 105 -12.677 -7.807 -10.827 767 1HG LYS 105 1HG LYS 105 -12.026 -10.132 -9.979 768 2HG LYS 105 2HG LYS 105 -11.453 -9.297 -8.534 769 1HD LYS 105 1HD LYS 105 -13.676 -8.324 -8.221 770 2HD LYS 105 2HD LYS 105 -14.238 -9.159 -9.672 771 1HE LYS 105 1HE LYS 105 -13.814 -11.309 -8.629 772 2HE LYS 105 2HE LYS 105 -13.171 -10.509 -7.194 773 1HZ LYS 105 1HZ LYS 105 -15.486 -11.243 -6.927 774 2HZ LYS 105 2HZ LYS 105 -15.958 -10.214 -8.188 775 3HZ LYS 105 3HZ LYS 105 -15.322 -9.563 -6.757 776 H LEU 106 H LEU 106 -8.915 -6.404 -10.490 777 HA LEU 106 HA LEU 106 -7.132 -8.290 -9.107 778 1HB LEU 106 1HB LEU 106 -6.362 -5.849 -10.705 779 2HB LEU 106 2HB LEU 106 -5.254 -6.931 -9.880 780 HG LEU 106 HG LEU 106 -7.037 -7.708 -12.196 781 1HD1 LEU 106 1HD1 LEU 106 -4.071 -7.184 -12.073 782 2HD1 LEU 106 2HD1 LEU 106 -5.278 -6.174 -12.870 783 3HD1 LEU 106 3HD1 LEU 106 -4.952 -7.801 -13.470 784 1HD2 LEU 106 1HD2 LEU 106 -5.741 -9.775 -12.215 785 2HD2 LEU 106 2HD2 LEU 106 -6.583 -9.571 -10.680 786 3HD2 LEU 106 3HD2 LEU 106 -4.852 -9.248 -10.786 787 H LYS 107 H LYS 107 -6.254 -7.720 -7.256 788 HA LYS 107 HA LYS 107 -7.480 -5.565 -5.804 789 1HB LYS 107 1HB LYS 107 -5.510 -7.688 -5.008 790 2HB LYS 107 2HB LYS 107 -5.990 -6.400 -3.905 791 1HG LYS 107 1HG LYS 107 -7.817 -8.420 -5.197 792 2HG LYS 107 2HG LYS 107 -7.310 -8.389 -3.506 793 1HD LYS 107 1HD LYS 107 -8.508 -6.386 -3.086 794 2HD LYS 107 2HD LYS 107 -8.776 -6.102 -4.807 795 1HE LYS 107 1HE LYS 107 -10.150 -8.180 -4.865 796 2HE LYS 107 2HE LYS 107 -9.969 -8.294 -3.115 797 1HZ LYS 107 1HZ LYS 107 -11.095 -5.883 -4.414 798 2HZ LYS 107 2HZ LYS 107 -11.224 -6.358 -2.791 799 3HZ LYS 107 3HZ LYS 107 -12.062 -7.205 -4.000 800 H SER 108 H SER 108 -6.801 -3.634 -5.531 801 HA SER 108 HA SER 108 -4.752 -2.406 -6.870 802 1HB SER 108 1HB SER 108 -6.531 -1.122 -5.888 803 2HB SER 108 2HB SER 108 -6.110 -1.668 -4.268 804 HG SER 108 HG SER 108 -4.548 -0.013 -5.966 805 H GLU 109 H GLU 109 -4.751 -3.760 -3.619 806 HA GLU 109 HA GLU 109 -2.179 -2.753 -2.988 807 1HB GLU 109 1HB GLU 109 -2.405 -4.247 -0.983 808 2HB GLU 109 2HB GLU 109 -3.608 -2.980 -1.178 809 1HG GLU 109 1HG GLU 109 -4.149 -5.689 -2.253 810 2HG GLU 109 2HG GLU 109 -4.292 -5.378 -0.533 811 H PHE 110 H PHE 110 -2.991 -5.299 -5.039 812 HA PHE 110 HA PHE 110 -0.382 -6.497 -4.417 813 1HB PHE 110 1HB PHE 110 -2.893 -7.651 -5.593 814 2HB PHE 110 2HB PHE 110 -1.353 -8.491 -5.660 815 HD1 PHE 110 HD1 PHE 110 -0.172 -8.963 -3.441 816 HD2 PHE 110 HD2 PHE 110 -4.252 -7.802 -3.714 817 HE1 PHE 110 HE1 PHE 110 -0.575 -9.864 -1.188 818 HE2 PHE 110 HE2 PHE 110 -4.666 -8.699 -1.465 819 HZ PHE 110 HZ PHE 110 -2.826 -9.734 -0.196 820 H VAL 111 H VAL 111 -1.557 -4.300 -6.525 821 HA VAL 111 HA VAL 111 -0.112 -5.492 -8.804 822 HB VAL 111 HB VAL 111 -1.467 -4.112 -10.307 823 1HG1 VAL 111 1HG1 VAL 111 -3.601 -5.311 -10.010 824 2HG1 VAL 111 2HG1 VAL 111 -3.072 -5.815 -8.403 825 3HG1 VAL 111 3HG1 VAL 111 -2.201 -6.370 -9.833 826 1HG2 VAL 111 1HG2 VAL 111 -3.470 -2.960 -9.438 827 2HG2 VAL 111 2HG2 VAL 111 -1.965 -2.241 -8.865 828 3HG2 VAL 111 3HG2 VAL 111 -2.912 -3.278 -7.795 829 H ARG 112 H ARG 112 0.622 -3.723 -10.414 830 HA ARG 112 HA ARG 112 1.624 -1.315 -9.151 831 1HB ARG 112 1HB ARG 112 3.441 -2.597 -8.535 832 2HB ARG 112 2HB ARG 112 3.348 -3.619 -9.962 833 1HG ARG 112 1HG ARG 112 4.513 -2.129 -11.266 834 2HG ARG 112 2HG ARG 112 4.071 -0.739 -10.270 835 1HD ARG 112 1HD ARG 112 5.527 -1.566 -8.486 836 2HD ARG 112 2HD ARG 112 5.953 -2.947 -9.470 837 HE ARG 112 HE ARG 112 6.665 -0.163 -10.129 838 1HH1 ARG 112 1HH1 ARG 112 7.349 -3.599 -10.171 839 2HH1 ARG 112 2HH1 ARG 112 8.917 -3.414 -10.895 840 1HH2 ARG 112 1HH2 ARG 112 8.735 0.093 -11.034 841 2HH2 ARG 112 2HH2 ARG 112 9.715 -1.304 -11.363 842 H LYS 113 H LYS 113 1.874 0.324 -10.540 843 HA LYS 113 HA LYS 113 1.008 0.050 -13.229 844 1HB LYS 113 1HB LYS 113 0.622 2.079 -11.849 845 2HB LYS 113 2HB LYS 113 2.350 2.413 -11.908 846 1HG LYS 113 1HG LYS 113 2.241 2.645 -14.324 847 2HG LYS 113 2HG LYS 113 0.518 2.263 -14.294 848 1HD LYS 113 1HD LYS 113 0.207 4.250 -12.793 849 2HD LYS 113 2HD LYS 113 1.891 4.672 -13.121 850 1HE LYS 113 1HE LYS 113 1.418 4.829 -15.490 851 2HE LYS 113 2HE LYS 113 -0.247 4.317 -15.215 852 1HZ LYS 113 1HZ LYS 113 -0.507 6.328 -13.797 853 2HZ LYS 113 2HZ LYS 113 -0.231 6.669 -15.432 854 3HZ LYS 113 3HZ LYS 113 1.026 6.844 -14.311 855 H VAL 114 H VAL 114 2.176 -0.634 -14.844 856 HA VAL 114 HA VAL 114 5.063 -0.578 -14.834 857 HB VAL 114 HB VAL 114 3.205 -1.300 -17.110 858 1HG1 VAL 114 1HG1 VAL 114 6.113 -1.951 -16.644 859 2HG1 VAL 114 2HG1 VAL 114 5.478 -0.813 -17.832 860 3HG1 VAL 114 3HG1 VAL 114 5.130 -2.535 -17.986 861 1HG2 VAL 114 1HG2 VAL 114 3.572 -3.634 -16.444 862 2HG2 VAL 114 2HG2 VAL 114 2.734 -2.707 -15.199 863 3HG2 VAL 114 3HG2 VAL 114 4.450 -3.076 -15.019 864 H GLY 115 H GLY 115 2.426 0.986 -16.627 865 1HA GLY 115 1HA GLY 115 2.378 3.115 -17.544 866 2HA GLY 115 2HA GLY 115 4.060 3.328 -17.082 867 H SER 116 H SER 116 3.530 0.434 -18.720 868 HA SER 116 HA SER 116 3.951 1.530 -21.373 869 1HB SER 116 1HB SER 116 5.967 -0.332 -20.083 870 2HB SER 116 2HB SER 116 6.006 0.240 -21.751 871 HG SER 116 HG SER 116 5.801 2.360 -20.153 Start of MODEL 7 1 H MET 1 H MET 1 8.310 25.711 21.994 2 HA MET 1 HA MET 1 10.520 25.534 21.063 3 1HB MET 1 1HB MET 1 10.938 23.306 22.242 4 2HB MET 1 2HB MET 1 10.014 22.556 20.949 5 1HG MET 1 1HG MET 1 11.654 23.616 19.345 6 2HG MET 1 2HG MET 1 12.634 24.005 20.756 7 1HE MET 1 1HE MET 1 11.056 21.238 18.571 8 2HE MET 1 2HE MET 1 10.420 20.779 20.151 9 3HE MET 1 3HE MET 1 11.600 19.747 19.343 10 H VAL 2 H VAL 2 10.847 25.115 18.731 11 HA VAL 2 HA VAL 2 8.366 25.335 17.286 12 HB VAL 2 HB VAL 2 10.347 26.712 16.699 13 1HG1 VAL 2 1HG1 VAL 2 12.104 25.089 17.120 14 2HG1 VAL 2 2HG1 VAL 2 12.216 25.714 15.474 15 3HG1 VAL 2 3HG1 VAL 2 11.545 24.109 15.765 16 1HG2 VAL 2 1HG2 VAL 2 10.212 26.424 14.268 17 2HG2 VAL 2 2HG2 VAL 2 8.624 26.353 15.032 18 3HG2 VAL 2 3HG2 VAL 2 9.416 24.868 14.506 19 H SER 3 H SER 3 7.562 23.882 15.782 20 HA SER 3 HA SER 3 8.075 21.127 16.241 21 1HB SER 3 1HB SER 3 6.654 22.348 13.876 22 2HB SER 3 2HB SER 3 6.460 20.714 14.505 23 HG SER 3 HG SER 3 6.010 22.551 16.445 24 H THR 4 H THR 4 9.431 19.759 15.246 25 HA THR 4 HA THR 4 10.738 20.523 12.760 26 HB THR 4 HB THR 4 12.177 21.561 14.383 27 HG1 THR 4 HG1 THR 4 13.134 19.164 13.226 28 1HG2 THR 4 1HG2 THR 4 13.189 20.332 16.230 29 2HG2 THR 4 2HG2 THR 4 12.293 18.884 15.767 30 3HG2 THR 4 3HG2 THR 4 11.426 20.311 16.340 31 H LEU 5 H LEU 5 9.065 18.334 14.298 32 HA LEU 5 HA LEU 5 10.600 16.008 13.361 33 1HB LEU 5 1HB LEU 5 8.093 16.126 15.054 34 2HB LEU 5 2HB LEU 5 8.962 14.669 14.620 35 HG LEU 5 HG LEU 5 10.072 16.889 16.341 36 1HD1 LEU 5 1HD1 LEU 5 9.030 14.160 17.094 37 2HD1 LEU 5 2HD1 LEU 5 8.257 15.703 17.457 38 3HD1 LEU 5 3HD1 LEU 5 9.813 15.303 18.185 39 1HD2 LEU 5 1HD2 LEU 5 11.794 15.688 15.098 40 2HD2 LEU 5 2HD2 LEU 5 11.152 14.151 15.676 41 3HD2 LEU 5 3HD2 LEU 5 11.866 15.292 16.815 42 HA PRO 6 HA PRO 6 7.972 15.618 9.849 43 1HB PRO 6 1HB PRO 6 7.608 12.941 9.612 44 2HB PRO 6 2HB PRO 6 9.153 13.723 9.253 45 1HG PRO 6 1HG PRO 6 8.275 12.321 11.745 46 2HG PRO 6 2HG PRO 6 9.805 12.160 10.865 47 1HD PRO 6 1HD PRO 6 9.594 13.683 13.076 48 2HD PRO 6 2HD PRO 6 10.647 14.149 11.726 49 HA PRO 7 HA PRO 7 3.830 15.484 11.280 50 1HB PRO 7 1HB PRO 7 2.837 14.843 8.627 51 2HB PRO 7 2HB PRO 7 2.755 16.374 9.499 52 1HG PRO 7 1HG PRO 7 4.305 15.976 7.286 53 2HG PRO 7 2HG PRO 7 4.675 17.164 8.547 54 1HD PRO 7 1HD PRO 7 5.855 14.452 8.092 55 2HD PRO 7 2HD PRO 7 6.638 15.952 8.632 56 H CYS 8 H CYS 8 1.692 14.168 10.596 57 HA CYS 8 HA CYS 8 2.335 11.375 11.141 58 1HB CYS 8 1HB CYS 8 0.807 12.177 12.740 59 2HB CYS 8 2HB CYS 8 -0.109 13.080 11.541 60 HA PRO 9 HA PRO 9 1.432 10.530 6.849 61 1HB PRO 9 1HB PRO 9 1.505 7.814 7.033 62 2HB PRO 9 2HB PRO 9 2.958 8.819 6.976 63 1HG PRO 9 1HG PRO 9 1.583 7.613 9.348 64 2HG PRO 9 2HG PRO 9 3.316 7.682 8.977 65 1HD PRO 9 1HD PRO 9 2.166 9.385 10.715 66 2HD PRO 9 2HD PRO 9 3.504 9.884 9.660 67 H GLN 10 H GLN 10 -0.589 10.344 9.360 68 HA GLN 10 HA GLN 10 -2.701 9.011 7.828 69 1HB GLN 10 1HB GLN 10 -2.666 9.385 10.813 70 2HB GLN 10 2HB GLN 10 -3.782 8.404 9.868 71 1HG GLN 10 1HG GLN 10 -2.043 6.881 9.280 72 2HG GLN 10 2HG GLN 10 -0.828 7.909 10.036 73 1HE2 GLN 10 1HE2 GLN 10 -0.098 6.650 11.540 74 2HE2 GLN 10 2HE2 GLN 10 -1.011 5.960 12.811 75 H CYS 11 H CYS 11 -1.865 11.871 9.873 76 HA CYS 11 HA CYS 11 -4.420 13.083 9.136 77 1HB CYS 11 1HB CYS 11 -2.451 13.874 11.302 78 2HB CYS 11 2HB CYS 11 -4.042 14.568 11.036 79 H ASN 12 H ASN 12 -0.951 13.605 9.507 80 HA ASN 12 HA ASN 12 0.559 14.976 8.557 81 1HB ASN 12 1HB ASN 12 -0.486 14.289 6.444 82 2HB ASN 12 2HB ASN 12 -1.628 15.619 6.573 83 1HD2 ASN 12 1HD2 ASN 12 1.743 14.789 6.125 84 2HD2 ASN 12 2HD2 ASN 12 2.206 16.292 5.391 85 H SER 13 H SER 13 -2.134 15.998 10.055 86 HA SER 13 HA SER 13 -2.403 18.693 9.797 87 1HB SER 13 1HB SER 13 -3.024 18.693 12.252 88 2HB SER 13 2HB SER 13 -3.870 17.511 11.253 89 HG SER 13 HG SER 13 -3.129 16.573 13.193 90 H GLU 14 H GLU 14 -0.570 17.498 12.589 91 HA GLU 14 HA GLU 14 1.906 18.567 12.260 92 1HB GLU 14 1HB GLU 14 1.935 20.780 13.219 93 2HB GLU 14 2HB GLU 14 0.813 20.769 11.867 94 1HG GLU 14 1HG GLU 14 -1.066 20.660 13.384 95 2HG GLU 14 2HG GLU 14 0.027 20.562 14.764 96 H TYR 15 H TYR 15 -0.599 17.517 14.261 97 HA TYR 15 HA TYR 15 0.559 18.187 16.794 98 1HB TYR 15 1HB TYR 15 -1.769 16.414 16.038 99 2HB TYR 15 2HB TYR 15 -1.310 16.784 17.696 100 HD1 TYR 15 HD1 TYR 15 -2.099 18.729 18.742 101 HD2 TYR 15 HD2 TYR 15 -2.424 18.357 14.517 102 HE1 TYR 15 HE1 TYR 15 -3.485 20.760 18.672 103 HE2 TYR 15 HE2 TYR 15 -3.806 20.384 14.437 104 HH TYR 15 HH TYR 15 -5.239 21.687 15.882 105 H THR 16 H THR 16 2.279 16.652 15.114 106 HA THR 16 HA THR 16 2.380 14.033 16.405 107 HB THR 16 HB THR 16 4.230 15.027 14.242 108 HG1 THR 16 HG1 THR 16 1.531 14.627 14.118 109 1HG2 THR 16 1HG2 THR 16 4.286 12.650 13.651 110 2HG2 THR 16 2HG2 THR 16 3.141 12.300 14.946 111 3HG2 THR 16 3HG2 THR 16 4.757 12.889 15.335 112 H TYR 17 H TYR 17 4.090 13.428 17.707 113 HA TYR 17 HA TYR 17 6.229 15.296 18.263 114 1HB TYR 17 1HB TYR 17 5.755 15.646 20.558 115 2HB TYR 17 2HB TYR 17 4.229 15.931 19.736 116 HD1 TYR 17 HD1 TYR 17 2.361 14.286 19.977 117 HD2 TYR 17 HD2 TYR 17 6.035 13.835 22.087 118 HE1 TYR 17 HE1 TYR 17 1.290 12.695 21.505 119 HE2 TYR 17 HE2 TYR 17 4.973 12.230 23.612 120 HH TYR 17 HH TYR 17 2.654 11.731 24.420 121 H GLU 18 H GLU 18 7.658 14.212 20.148 122 HA GLU 18 HA GLU 18 7.728 11.363 19.445 123 1HB GLU 18 1HB GLU 18 10.118 11.409 19.990 124 2HB GLU 18 2HB GLU 18 9.718 12.556 18.725 125 1HG GLU 18 1HG GLU 18 11.056 13.893 19.942 126 2HG GLU 18 2HG GLU 18 9.565 14.187 20.834 127 H ASP 19 H ASP 19 7.380 9.906 20.946 128 HA ASP 19 HA ASP 19 7.805 10.629 23.751 129 1HB ASP 19 1HB ASP 19 5.401 10.278 23.258 130 2HB ASP 19 2HB ASP 19 5.782 8.658 22.673 131 H GLY 20 H GLY 20 9.986 9.900 23.520 132 1HA GLY 20 1HA GLY 20 11.372 8.183 24.348 133 2HA GLY 20 2HA GLY 20 10.147 7.008 23.900 134 H ALA 21 H ALA 21 10.408 5.883 22.077 135 HA ALA 21 HA ALA 21 12.810 6.540 20.491 136 1HB ALA 21 1HB ALA 21 13.008 4.519 21.846 137 2HB ALA 21 2HB ALA 21 13.052 4.144 20.123 138 3HB ALA 21 3HB ALA 21 11.584 3.845 21.053 139 H LEU 22 H LEU 22 9.870 7.242 20.053 140 HA LEU 22 HA LEU 22 9.925 6.769 17.232 141 1HB LEU 22 1HB LEU 22 7.952 5.562 16.947 142 2HB LEU 22 2HB LEU 22 8.807 4.709 18.218 143 HG LEU 22 HG LEU 22 6.566 6.670 18.725 144 1HD1 LEU 22 1HD1 LEU 22 5.730 4.809 17.435 145 2HD1 LEU 22 2HD1 LEU 22 5.182 4.683 19.109 146 3HD1 LEU 22 3HD1 LEU 22 6.507 3.669 18.537 147 1HD2 LEU 22 1HD2 LEU 22 6.489 5.590 20.934 148 2HD2 LEU 22 2HD2 LEU 22 8.038 6.379 20.636 149 3HD2 LEU 22 3HD2 LEU 22 7.901 4.624 20.500 150 H LEU 23 H LEU 23 7.563 7.580 16.416 151 HA LEU 23 HA LEU 23 6.970 10.062 17.877 152 1HB LEU 23 1HB LEU 23 6.373 9.505 14.976 153 2HB LEU 23 2HB LEU 23 6.326 11.050 15.804 154 HG LEU 23 HG LEU 23 8.837 9.465 15.280 155 1HD1 LEU 23 1HD1 LEU 23 7.857 10.250 13.209 156 2HD1 LEU 23 2HD1 LEU 23 9.315 11.165 13.594 157 3HD1 LEU 23 3HD1 LEU 23 7.727 11.880 13.870 158 1HD2 LEU 23 1HD2 LEU 23 9.977 11.533 15.920 159 2HD2 LEU 23 2HD2 LEU 23 9.006 10.884 17.243 160 3HD2 LEU 23 3HD2 LEU 23 8.422 12.266 16.313 161 H VAL 24 H VAL 24 4.843 10.409 18.461 162 HA VAL 24 HA VAL 24 2.898 8.429 17.518 163 HB VAL 24 HB VAL 24 2.156 7.782 19.542 164 1HG1 VAL 24 1HG1 VAL 24 3.910 7.632 21.243 165 2HG1 VAL 24 2HG1 VAL 24 4.861 8.817 20.346 166 3HG1 VAL 24 3HG1 VAL 24 4.500 7.247 19.627 167 1HG2 VAL 24 1HG2 VAL 24 2.855 10.476 20.695 168 2HG2 VAL 24 2HG2 VAL 24 2.074 9.162 21.574 169 3HG2 VAL 24 3HG2 VAL 24 1.254 9.917 20.206 170 H CYS 25 H CYS 25 0.871 9.167 17.148 171 HA CYS 25 HA CYS 25 0.596 12.084 17.166 172 1HB CYS 25 1HB CYS 25 0.525 11.036 14.965 173 2HB CYS 25 2HB CYS 25 -0.753 9.955 15.501 174 HA PRO 26 HA PRO 26 -2.347 11.137 20.449 175 1HB PRO 26 1HB PRO 26 -2.733 13.741 21.153 176 2HB PRO 26 2HB PRO 26 -1.363 12.777 21.716 177 1HG PRO 26 1HG PRO 26 -1.488 14.778 19.501 178 2HG PRO 26 2HG PRO 26 -0.218 14.522 20.712 179 1HD PRO 26 1HD PRO 26 -0.022 13.600 18.172 180 2HD PRO 26 2HD PRO 26 0.707 12.758 19.554 181 H GLU 27 H GLU 27 -2.611 12.787 17.522 182 HA GLU 27 HA GLU 27 -5.282 13.751 17.809 183 1HB GLU 27 1HB GLU 27 -3.554 14.718 16.254 184 2HB GLU 27 2HB GLU 27 -3.761 13.296 15.241 185 1HG GLU 27 1HG GLU 27 -6.067 13.858 14.845 186 2HG GLU 27 2HG GLU 27 -5.963 15.212 15.967 187 H CYS 28 H CYS 28 -3.940 11.130 15.658 188 HA CYS 28 HA CYS 28 -6.628 10.014 15.620 189 1HB CYS 28 1HB CYS 28 -5.799 8.619 13.770 190 2HB CYS 28 2HB CYS 28 -5.541 10.332 13.464 191 H ALA 29 H ALA 29 -4.241 9.645 17.783 192 HA ALA 29 HA ALA 29 -3.750 8.068 19.286 193 1HB ALA 29 1HB ALA 29 -6.165 6.637 18.195 194 2HB ALA 29 2HB ALA 29 -6.191 7.899 19.426 195 3HB ALA 29 3HB ALA 29 -5.397 6.360 19.759 196 H HIS 30 H HIS 30 -2.635 7.759 16.475 197 HA HIS 30 HA HIS 30 -1.843 4.955 16.865 198 1HB HIS 30 1HB HIS 30 -2.368 6.447 14.321 199 2HB HIS 30 2HB HIS 30 -1.249 5.087 14.351 200 HD1 HIS 30 HD1 HIS 30 -2.214 2.756 14.511 201 HD2 HIS 30 HD2 HIS 30 -5.087 5.751 14.760 202 HE1 HIS 30 HE1 HIS 30 -4.433 1.586 14.298 203 HE2 HIS 30 HE2 HIS 30 -6.163 3.401 14.589 204 H GLU 31 H GLU 31 0.214 4.552 17.122 205 HA GLU 31 HA GLU 31 2.153 6.716 16.986 206 1HB GLU 31 1HB GLU 31 2.958 3.932 17.680 207 2HB GLU 31 2HB GLU 31 3.481 5.453 18.382 208 1HG GLU 31 1HG GLU 31 2.298 4.457 20.095 209 2HG GLU 31 2HG GLU 31 1.117 5.558 19.390 210 H TRP 32 H TRP 32 4.283 6.290 15.944 211 HA TRP 32 HA TRP 32 4.481 4.200 13.997 212 1HB TRP 32 1HB TRP 32 4.140 5.321 12.021 213 2HB TRP 32 2HB TRP 32 2.991 6.173 13.041 214 HD1 TRP 32 HD1 TRP 32 4.404 8.443 14.326 215 HE1 TRP 32 HE1 TRP 32 5.678 10.272 13.027 216 HE3 TRP 32 HE3 TRP 32 5.235 5.909 9.975 217 HZ2 TRP 32 HZ2 TRP 32 6.873 10.589 10.493 218 HZ3 TRP 32 HZ3 TRP 32 6.447 7.042 8.159 219 HH2 TRP 32 HH2 TRP 32 7.249 9.335 8.414 220 H SER 33 H SER 33 6.567 4.364 12.813 221 HA SER 33 HA SER 33 8.524 5.825 14.445 222 1HB SER 33 1HB SER 33 8.736 3.353 14.499 223 2HB SER 33 2HB SER 33 8.960 3.354 12.751 224 HG SER 33 HG SER 33 10.792 3.660 14.625 225 HA PRO 34 HA PRO 34 9.203 8.428 10.960 226 1HB PRO 34 1HB PRO 34 11.812 9.149 11.516 227 2HB PRO 34 2HB PRO 34 10.382 9.897 12.225 228 1HG PRO 34 1HG PRO 34 12.195 7.824 13.362 229 2HG PRO 34 2HG PRO 34 11.396 9.185 14.169 230 1HD PRO 34 1HD PRO 34 10.498 6.648 14.391 231 2HD PRO 34 2HD PRO 34 9.402 8.044 14.391 232 H ASN 35 H ASN 35 11.317 5.757 11.693 233 HA ASN 35 HA ASN 35 12.004 5.593 8.834 234 1HB ASN 35 1HB ASN 35 13.882 5.064 11.146 235 2HB ASN 35 2HB ASN 35 14.243 4.709 9.460 236 1HD2 ASN 35 1HD2 ASN 35 13.899 7.165 11.865 237 2HD2 ASN 35 2HD2 ASN 35 14.530 8.476 10.920 238 H GLU 36 H GLU 36 11.570 3.872 11.883 239 HA GLU 36 HA GLU 36 12.030 1.301 10.675 240 1HB GLU 36 1HB GLU 36 12.604 2.075 13.064 241 2HB GLU 36 2HB GLU 36 10.912 1.785 13.427 242 1HG GLU 36 1HG GLU 36 12.343 -0.429 12.113 243 2HG GLU 36 2HG GLU 36 12.859 -0.033 13.750 244 H ALA 37 H ALA 37 9.438 3.328 10.565 245 HA ALA 37 HA ALA 37 7.296 1.477 10.976 246 1HB ALA 37 1HB ALA 37 6.964 3.907 11.121 247 2HB ALA 37 2HB ALA 37 5.865 3.148 9.969 248 3HB ALA 37 3HB ALA 37 7.273 4.040 9.391 249 H ALA 38 H ALA 38 9.629 1.663 8.625 250 HA ALA 38 HA ALA 38 8.150 0.941 6.310 251 1HB ALA 38 1HB ALA 38 10.419 1.853 6.179 252 2HB ALA 38 2HB ALA 38 10.310 0.288 5.374 253 3HB ALA 38 3HB ALA 38 11.047 0.408 6.972 254 H THR 39 H THR 39 9.143 -0.756 9.117 255 HA THR 39 HA THR 39 9.189 -3.400 8.122 256 HB THR 39 HB THR 39 8.364 -2.610 10.912 257 HG1 THR 39 HG1 THR 39 10.351 -1.953 11.321 258 1HG2 THR 39 1HG2 THR 39 9.554 -4.663 11.533 259 2HG2 THR 39 2HG2 THR 39 9.944 -4.948 9.837 260 3HG2 THR 39 3HG2 THR 39 8.265 -4.994 10.375 261 H ALA 40 H ALA 40 7.561 -5.039 8.380 262 HA ALA 40 HA ALA 40 4.815 -4.019 8.622 263 1HB ALA 40 1HB ALA 40 5.349 -4.256 6.241 264 2HB ALA 40 2HB ALA 40 4.110 -5.405 6.746 265 3HB ALA 40 3HB ALA 40 5.771 -5.948 6.507 266 H SER 41 H SER 41 4.039 -4.970 10.392 267 HA SER 41 HA SER 41 4.883 -7.610 11.188 268 1HB SER 41 1HB SER 41 2.709 -5.851 12.355 269 2HB SER 41 2HB SER 41 3.431 -7.270 13.118 270 HG SER 41 HG SER 41 5.438 -6.149 13.132 271 H ASP 42 H ASP 42 4.162 -9.175 9.824 272 HA ASP 42 HA ASP 42 1.274 -9.520 9.682 273 1HB ASP 42 1HB ASP 42 1.841 -8.304 7.623 274 2HB ASP 42 2HB ASP 42 3.010 -9.557 7.209 275 H ASP 43 H ASP 43 0.585 -11.579 9.417 276 HA ASP 43 HA ASP 43 2.622 -13.680 9.181 277 1HB ASP 43 1HB ASP 43 2.001 -13.619 11.509 278 2HB ASP 43 2HB ASP 43 0.289 -13.587 11.102 279 H GLY 44 H GLY 44 -0.787 -12.772 8.845 280 1HA GLY 44 1HA GLY 44 -0.931 -14.251 6.363 281 2HA GLY 44 2HA GLY 44 -1.920 -14.912 7.654 282 H LYS 45 H LYS 45 -1.284 -11.476 7.032 283 HA LYS 45 HA LYS 45 -4.144 -11.161 6.351 284 1HB LYS 45 1HB LYS 45 -2.255 -8.987 7.273 285 2HB LYS 45 2HB LYS 45 -3.999 -8.877 7.099 286 1HG LYS 45 1HG LYS 45 -4.295 -10.440 8.938 287 2HG LYS 45 2HG LYS 45 -2.544 -10.589 9.100 288 1HD LYS 45 1HD LYS 45 -4.215 -8.117 9.544 289 2HD LYS 45 2HD LYS 45 -3.358 -9.055 10.767 290 1HE LYS 45 1HE LYS 45 -2.133 -7.432 8.538 291 2HE LYS 45 2HE LYS 45 -2.114 -7.044 10.257 292 1HZ LYS 45 1HZ LYS 45 -0.702 -9.264 8.881 293 2HZ LYS 45 2HZ LYS 45 -0.852 -9.175 10.569 294 3HZ LYS 45 3HZ LYS 45 -0.019 -7.964 9.732 295 H VAL 46 H VAL 46 -0.851 -10.510 5.432 296 HA VAL 46 HA VAL 46 -1.753 -9.297 2.911 297 HB VAL 46 HB VAL 46 1.071 -9.384 3.998 298 1HG1 VAL 46 1HG1 VAL 46 1.522 -7.638 2.393 299 2HG1 VAL 46 2HG1 VAL 46 -0.169 -7.614 1.899 300 3HG1 VAL 46 3HG1 VAL 46 0.825 -9.031 1.566 301 1HG2 VAL 46 1HG2 VAL 46 -0.329 -8.158 5.562 302 2HG2 VAL 46 2HG2 VAL 46 -0.969 -7.175 4.245 303 3HG2 VAL 46 3HG2 VAL 46 0.733 -7.051 4.691 304 H ILE 47 H ILE 47 -0.969 -10.162 0.929 305 HA ILE 47 HA ILE 47 -0.689 -13.039 1.085 306 HB ILE 47 HB ILE 47 -0.742 -11.499 -1.492 307 1HG1 ILE 47 1HG1 ILE 47 -2.546 -10.568 -0.083 308 2HG1 ILE 47 2HG1 ILE 47 -3.188 -11.497 -1.433 309 1HG2 ILE 47 1HG2 ILE 47 -1.790 -14.190 -0.624 310 2HG2 ILE 47 2HG2 ILE 47 -0.391 -13.882 -1.655 311 3HG2 ILE 47 3HG2 ILE 47 -2.017 -13.498 -2.229 312 1HD1 ILE 47 1HD1 ILE 47 -4.405 -11.886 0.655 313 2HD1 ILE 47 2HD1 ILE 47 -2.924 -12.506 1.388 314 3HD1 ILE 47 3HD1 ILE 47 -3.660 -13.356 0.027 315 H LYS 48 H LYS 48 1.078 -14.192 0.622 316 HA LYS 48 HA LYS 48 3.503 -12.790 -0.281 317 1HB LYS 48 1HB LYS 48 2.998 -14.804 1.795 318 2HB LYS 48 2HB LYS 48 4.359 -15.190 0.752 319 1HG LYS 48 1HG LYS 48 5.652 -13.711 1.775 320 2HG LYS 48 2HG LYS 48 4.451 -12.434 1.578 321 1HD LYS 48 1HD LYS 48 4.169 -14.540 3.700 322 2HD LYS 48 2HD LYS 48 5.130 -13.084 3.966 323 1HE LYS 48 1HE LYS 48 3.221 -11.683 3.587 324 2HE LYS 48 2HE LYS 48 2.247 -13.066 3.093 325 1HZ LYS 48 1HZ LYS 48 2.132 -13.854 5.260 326 2HZ LYS 48 2HZ LYS 48 1.952 -12.176 5.449 327 3HZ LYS 48 3HZ LYS 48 3.441 -12.919 5.795 328 H ASP 49 H ASP 49 4.845 -13.857 -1.805 329 HA ASP 49 HA ASP 49 3.295 -15.511 -3.649 330 1HB ASP 49 1HB ASP 49 5.975 -14.189 -4.066 331 2HB ASP 49 2HB ASP 49 4.966 -14.909 -5.308 332 H SER 50 H SER 50 4.808 -17.038 -4.986 333 HA SER 50 HA SER 50 5.799 -19.032 -3.196 334 1HB SER 50 1HB SER 50 4.740 -19.578 -5.373 335 2HB SER 50 2HB SER 50 6.110 -18.847 -6.207 336 HG SER 50 HG SER 50 6.110 -21.152 -4.546 337 H VAL 51 H VAL 51 7.081 -16.276 -4.290 338 HA VAL 51 HA VAL 51 9.857 -17.128 -4.584 339 HB VAL 51 HB VAL 51 8.922 -14.280 -4.479 340 1HG1 VAL 51 1HG1 VAL 51 11.304 -14.632 -4.522 341 2HG1 VAL 51 2HG1 VAL 51 10.770 -13.953 -6.063 342 3HG1 VAL 51 3HG1 VAL 51 11.154 -15.670 -5.939 343 1HG2 VAL 51 1HG2 VAL 51 8.486 -14.389 -6.870 344 2HG2 VAL 51 2HG2 VAL 51 7.411 -15.447 -5.954 345 3HG2 VAL 51 3HG2 VAL 51 8.776 -16.129 -6.841 346 H GLY 52 H GLY 52 7.741 -16.182 -2.203 347 1HA GLY 52 1HA GLY 52 8.181 -16.179 0.106 348 2HA GLY 52 2HA GLY 52 9.888 -15.938 -0.245 349 H ASN 53 H ASN 53 8.220 -13.862 -2.177 350 HA ASN 53 HA ASN 53 8.750 -11.691 -0.321 351 1HB ASN 53 1HB ASN 53 8.242 -10.278 -2.479 352 2HB ASN 53 2HB ASN 53 9.805 -11.029 -2.227 353 1HD2 ASN 53 1HD2 ASN 53 6.761 -12.520 -3.386 354 2HD2 ASN 53 2HD2 ASN 53 7.419 -12.975 -4.918 355 H VAL 54 H VAL 54 7.359 -9.890 -0.298 356 HA VAL 54 HA VAL 54 4.544 -10.773 -0.013 357 HB VAL 54 HB VAL 54 5.742 -8.414 1.418 358 1HG1 VAL 54 1HG1 VAL 54 3.926 -8.845 3.014 359 2HG1 VAL 54 2HG1 VAL 54 3.374 -10.181 2.001 360 3HG1 VAL 54 3HG1 VAL 54 3.329 -8.529 1.385 361 1HG2 VAL 54 1HG2 VAL 54 7.126 -10.336 1.991 362 2HG2 VAL 54 2HG2 VAL 54 5.685 -11.264 2.407 363 3HG2 VAL 54 3HG2 VAL 54 6.132 -9.853 3.365 364 H LEU 55 H LEU 55 2.870 -9.549 -0.991 365 HA LEU 55 HA LEU 55 3.813 -7.644 -2.960 366 1HB LEU 55 1HB LEU 55 1.105 -8.922 -2.517 367 2HB LEU 55 2HB LEU 55 1.579 -7.970 -3.914 368 HG LEU 55 HG LEU 55 3.081 -10.436 -3.212 369 1HD1 LEU 55 1HD1 LEU 55 0.634 -10.430 -4.930 370 2HD1 LEU 55 2HD1 LEU 55 0.712 -11.071 -3.288 371 3HD1 LEU 55 3HD1 LEU 55 1.691 -11.801 -4.565 372 1HD2 LEU 55 1HD2 LEU 55 2.581 -8.898 -5.724 373 2HD2 LEU 55 2HD2 LEU 55 3.405 -10.459 -5.671 374 3HD2 LEU 55 3HD2 LEU 55 4.099 -9.064 -4.842 375 H GLN 56 H GLN 56 2.089 -5.873 -3.399 376 HA GLN 56 HA GLN 56 0.925 -4.889 -0.882 377 1HB GLN 56 1HB GLN 56 1.527 -2.694 -1.349 378 2HB GLN 56 2HB GLN 56 2.921 -3.576 -1.957 379 1HG GLN 56 1HG GLN 56 2.242 -3.328 -4.190 380 2HG GLN 56 2HG GLN 56 0.638 -2.770 -3.719 381 1HE2 GLN 56 1HE2 GLN 56 0.359 -0.672 -3.055 382 2HE2 GLN 56 2HE2 GLN 56 1.563 0.546 -3.288 383 H ASP 57 H ASP 57 -1.156 -3.841 -1.134 384 HA ASP 57 HA ASP 57 -2.789 -4.819 -3.195 385 1HB ASP 57 1HB ASP 57 -3.529 -4.054 -0.902 386 2HB ASP 57 2HB ASP 57 -3.300 -2.398 -1.456 387 H GLY 58 H GLY 58 -2.357 -4.289 -5.243 388 1HA GLY 58 1HA GLY 58 -2.788 -2.599 -6.949 389 2HA GLY 58 2HA GLY 58 -2.028 -1.426 -5.881 390 H ASP 59 H ASP 59 -0.240 -4.129 -5.521 391 HA ASP 59 HA ASP 59 1.862 -3.160 -7.221 392 1HB ASP 59 1HB ASP 59 1.933 -4.462 -4.888 393 2HB ASP 59 2HB ASP 59 2.054 -5.850 -5.950 394 H THR 60 H THR 60 3.090 -4.908 -8.531 395 HA THR 60 HA THR 60 1.105 -6.139 -10.311 396 HB THR 60 HB THR 60 3.960 -5.345 -10.920 397 HG1 THR 60 HG1 THR 60 3.188 -3.406 -11.232 398 1HG2 THR 60 1HG2 THR 60 3.296 -5.647 -13.263 399 2HG2 THR 60 2HG2 THR 60 1.698 -6.180 -12.740 400 3HG2 THR 60 3HG2 THR 60 3.122 -7.145 -12.348 401 H ILE 61 H ILE 61 1.297 -8.303 -10.808 402 HA ILE 61 HA ILE 61 3.415 -9.750 -9.362 403 HB ILE 61 HB ILE 61 1.888 -11.535 -8.850 404 1HG1 ILE 61 1HG1 ILE 61 -0.661 -10.940 -9.338 405 2HG1 ILE 61 2HG1 ILE 61 0.050 -10.065 -10.688 406 1HG2 ILE 61 1HG2 ILE 61 1.935 -9.723 -7.268 407 2HG2 ILE 61 2HG2 ILE 61 0.306 -10.389 -7.357 408 3HG2 ILE 61 3HG2 ILE 61 0.683 -8.863 -8.160 409 1HD1 ILE 61 1HD1 ILE 61 1.138 -12.132 -11.427 410 2HD1 ILE 61 2HD1 ILE 61 -0.621 -12.280 -11.373 411 3HD1 ILE 61 3HD1 ILE 61 0.366 -12.997 -10.099 412 H THR 62 H THR 62 3.835 -11.959 -10.303 413 HA THR 62 HA THR 62 2.904 -12.355 -13.022 414 HB THR 62 HB THR 62 5.742 -11.849 -12.221 415 HG1 THR 62 HG1 THR 62 3.985 -10.505 -13.523 416 1HG2 THR 62 1HG2 THR 62 5.854 -14.047 -13.232 417 2HG2 THR 62 2HG2 THR 62 6.511 -12.844 -14.342 418 3HG2 THR 62 3HG2 THR 62 4.892 -13.493 -14.603 419 H VAL 63 H VAL 63 2.132 -14.338 -13.016 420 HA VAL 63 HA VAL 63 2.652 -16.359 -11.155 421 HB VAL 63 HB VAL 63 0.763 -16.055 -13.040 422 1HG1 VAL 63 1HG1 VAL 63 2.163 -16.450 -14.935 423 2HG1 VAL 63 2HG1 VAL 63 1.008 -17.773 -14.770 424 3HG1 VAL 63 3HG1 VAL 63 2.685 -17.998 -14.269 425 1HG2 VAL 63 1HG2 VAL 63 1.684 -18.729 -12.003 426 2HG2 VAL 63 2HG2 VAL 63 0.077 -18.361 -12.630 427 3HG2 VAL 63 3HG2 VAL 63 0.644 -17.589 -11.147 428 H ILE 64 H ILE 64 4.379 -17.671 -10.935 429 HA ILE 64 HA ILE 64 6.271 -17.787 -13.122 430 HB ILE 64 HB ILE 64 7.883 -18.644 -11.561 431 1HG1 ILE 64 1HG1 ILE 64 6.024 -19.941 -10.232 432 2HG1 ILE 64 2HG1 ILE 64 7.468 -19.389 -9.397 433 1HG2 ILE 64 1HG2 ILE 64 6.301 -16.349 -10.434 434 2HG2 ILE 64 2HG2 ILE 64 7.604 -16.263 -11.621 435 3HG2 ILE 64 3HG2 ILE 64 7.951 -16.764 -9.964 436 1HD1 ILE 64 1HD1 ILE 64 6.150 -17.388 -8.674 437 2HD1 ILE 64 2HD1 ILE 64 5.626 -18.934 -8.008 438 3HD1 ILE 64 3HD1 ILE 64 4.719 -18.192 -9.323 439 H LYS 65 H LYS 65 3.636 -19.524 -12.951 440 HA LYS 65 HA LYS 65 5.018 -21.981 -13.618 441 1HB LYS 65 1HB LYS 65 3.057 -21.590 -11.439 442 2HB LYS 65 2HB LYS 65 2.696 -22.920 -12.525 443 1HG LYS 65 1HG LYS 65 3.894 -23.890 -10.789 444 2HG LYS 65 2HG LYS 65 5.077 -23.708 -12.082 445 1HD LYS 65 1HD LYS 65 6.016 -21.768 -11.022 446 2HD LYS 65 2HD LYS 65 4.738 -21.764 -9.804 447 1HE LYS 65 1HE LYS 65 6.777 -22.707 -8.883 448 2HE LYS 65 2HE LYS 65 5.521 -23.938 -8.985 449 1HZ LYS 65 1HZ LYS 65 6.560 -24.727 -11.052 450 2HZ LYS 65 2HZ LYS 65 7.609 -24.832 -9.723 451 3HZ LYS 65 3HZ LYS 65 7.802 -23.586 -10.857 452 H ASP 66 H ASP 66 3.730 -23.284 -15.069 453 HA ASP 66 HA ASP 66 1.774 -21.831 -16.592 454 1HB ASP 66 1HB ASP 66 1.640 -23.830 -18.017 455 2HB ASP 66 2HB ASP 66 3.307 -23.338 -17.750 456 H LEU 67 H LEU 67 -0.152 -21.507 -15.873 457 HA LEU 67 HA LEU 67 -1.685 -23.756 -14.737 458 1HB LEU 67 1HB LEU 67 -2.111 -20.864 -13.999 459 2HB LEU 67 2HB LEU 67 -2.801 -22.278 -13.232 460 HG LEU 67 HG LEU 67 0.062 -21.347 -13.070 461 1HD1 LEU 67 1HD1 LEU 67 -0.454 -21.099 -10.688 462 2HD1 LEU 67 2HD1 LEU 67 -2.123 -21.570 -11.007 463 3HD1 LEU 67 3HD1 LEU 67 -1.481 -20.079 -11.695 464 1HD2 LEU 67 1HD2 LEU 67 0.371 -23.230 -11.505 465 2HD2 LEU 67 2HD2 LEU 67 0.060 -23.747 -13.163 466 3HD2 LEU 67 3HD2 LEU 67 -1.226 -23.832 -11.955 467 H LYS 68 H LYS 68 -3.782 -23.958 -15.550 468 HA LYS 68 HA LYS 68 -4.499 -22.231 -17.758 469 1HB LYS 68 1HB LYS 68 -6.341 -23.754 -18.151 470 2HB LYS 68 2HB LYS 68 -4.850 -24.658 -17.929 471 1HG LYS 68 1HG LYS 68 -5.489 -25.270 -15.695 472 2HG LYS 68 2HG LYS 68 -6.917 -24.235 -15.782 473 1HD LYS 68 1HD LYS 68 -7.577 -26.521 -16.153 474 2HD LYS 68 2HD LYS 68 -7.749 -25.615 -17.658 475 1HE LYS 68 1HE LYS 68 -5.535 -26.487 -18.368 476 2HE LYS 68 2HE LYS 68 -5.502 -27.483 -16.913 477 1HZ LYS 68 1HZ LYS 68 -6.281 -28.803 -18.715 478 2HZ LYS 68 2HZ LYS 68 -7.439 -27.646 -19.155 479 3HZ LYS 68 3HZ LYS 68 -7.608 -28.504 -17.699 480 H VAL 69 H VAL 69 -6.945 -21.681 -17.898 481 HA VAL 69 HA VAL 69 -7.918 -20.611 -15.318 482 HB VAL 69 HB VAL 69 -8.300 -19.307 -18.037 483 1HG1 VAL 69 1HG1 VAL 69 -10.163 -18.944 -16.518 484 2HG1 VAL 69 2HG1 VAL 69 -9.260 -17.452 -16.788 485 3HG1 VAL 69 3HG1 VAL 69 -9.053 -18.349 -15.281 486 1HG2 VAL 69 1HG2 VAL 69 -6.839 -17.535 -17.284 487 2HG2 VAL 69 2HG2 VAL 69 -5.985 -19.079 -17.251 488 3HG2 VAL 69 3HG2 VAL 69 -6.578 -18.366 -15.749 489 H LYS 70 H LYS 70 -10.051 -21.278 -14.876 490 HA LYS 70 HA LYS 70 -11.057 -23.330 -16.555 491 1HB LYS 70 1HB LYS 70 -12.414 -21.995 -14.214 492 2HB LYS 70 2HB LYS 70 -12.765 -23.585 -14.876 493 1HG LYS 70 1HG LYS 70 -10.576 -24.379 -14.168 494 2HG LYS 70 2HG LYS 70 -10.195 -22.779 -13.527 495 1HD LYS 70 1HD LYS 70 -12.406 -24.608 -12.596 496 2HD LYS 70 2HD LYS 70 -10.907 -24.253 -11.736 497 1HE LYS 70 1HE LYS 70 -11.558 -21.918 -11.529 498 2HE LYS 70 2HE LYS 70 -13.032 -22.231 -12.444 499 1HZ LYS 70 1HZ LYS 70 -13.713 -23.774 -10.683 500 2HZ LYS 70 2HZ LYS 70 -13.516 -22.192 -10.105 501 3HZ LYS 70 3HZ LYS 70 -12.328 -23.366 -9.792 502 H GLY 71 H GLY 71 -12.580 -20.299 -15.442 503 1HA GLY 71 1HA GLY 71 -14.804 -20.614 -17.181 504 2HA GLY 71 2HA GLY 71 -14.414 -19.179 -16.249 505 H SER 72 H SER 72 -11.690 -19.220 -17.668 506 HA SER 72 HA SER 72 -12.693 -17.819 -20.050 507 1HB SER 72 1HB SER 72 -10.276 -17.242 -18.328 508 2HB SER 72 2HB SER 72 -10.646 -16.404 -19.831 509 HG SER 72 HG SER 72 -12.807 -16.047 -18.686 510 H SER 73 H SER 73 -11.491 -17.961 -21.981 511 HA SER 73 HA SER 73 -10.243 -20.489 -22.426 512 1HB SER 73 1HB SER 73 -10.274 -18.126 -24.308 513 2HB SER 73 2HB SER 73 -10.163 -19.837 -24.723 514 HG SER 73 HG SER 73 -12.289 -20.102 -23.942 515 H LEU 74 H LEU 74 -9.082 -17.806 -21.009 516 HA LEU 74 HA LEU 74 -6.535 -17.585 -22.267 517 1HB LEU 74 1HB LEU 74 -7.708 -16.486 -19.740 518 2HB LEU 74 2HB LEU 74 -6.027 -16.247 -20.149 519 HG LEU 74 HG LEU 74 -7.094 -14.315 -20.842 520 1HD1 LEU 74 1HD1 LEU 74 -6.860 -16.058 -23.263 521 2HD1 LEU 74 2HD1 LEU 74 -5.579 -15.098 -22.521 522 3HD1 LEU 74 3HD1 LEU 74 -6.960 -14.297 -23.276 523 1HD2 LEU 74 1HD2 LEU 74 -9.393 -15.033 -20.670 524 2HD2 LEU 74 2HD2 LEU 74 -9.208 -16.037 -22.108 525 3HD2 LEU 74 3HD2 LEU 74 -9.122 -14.281 -22.244 526 H VAL 75 H VAL 75 -4.677 -18.417 -21.697 527 HA VAL 75 HA VAL 75 -4.551 -20.258 -19.431 528 HB VAL 75 HB VAL 75 -2.610 -19.960 -21.733 529 1HG1 VAL 75 1HG1 VAL 75 -2.811 -22.079 -19.593 530 2HG1 VAL 75 2HG1 VAL 75 -1.555 -20.849 -19.724 531 3HG1 VAL 75 3HG1 VAL 75 -1.697 -22.098 -20.961 532 1HG2 VAL 75 1HG2 VAL 75 -4.768 -20.772 -22.507 533 2HG2 VAL 75 2HG2 VAL 75 -4.757 -22.028 -21.268 534 3HG2 VAL 75 3HG2 VAL 75 -3.563 -22.057 -22.566 535 H VAL 76 H VAL 76 -3.269 -19.923 -17.747 536 HA VAL 76 HA VAL 76 -1.878 -17.385 -17.505 537 HB VAL 76 HB VAL 76 -2.494 -19.563 -15.493 538 1HG1 VAL 76 1HG1 VAL 76 -1.732 -18.009 -13.782 539 2HG1 VAL 76 2HG1 VAL 76 -1.220 -16.875 -15.034 540 3HG1 VAL 76 3HG1 VAL 76 -0.429 -18.446 -14.886 541 1HG2 VAL 76 1HG2 VAL 76 -4.044 -17.926 -14.554 542 2HG2 VAL 76 2HG2 VAL 76 -4.443 -18.306 -16.229 543 3HG2 VAL 76 3HG2 VAL 76 -3.628 -16.792 -15.839 544 H LYS 77 H LYS 77 0.063 -17.443 -18.412 545 HA LYS 77 HA LYS 77 1.700 -19.860 -18.069 546 1HB LYS 77 1HB LYS 77 3.064 -18.861 -20.008 547 2HB LYS 77 2HB LYS 77 1.508 -19.592 -20.355 548 1HG LYS 77 1HG LYS 77 1.603 -17.639 -21.642 549 2HG LYS 77 2HG LYS 77 0.543 -17.257 -20.285 550 1HD LYS 77 1HD LYS 77 2.190 -15.954 -19.232 551 2HD LYS 77 2HD LYS 77 3.475 -16.615 -20.246 552 1HE LYS 77 1HE LYS 77 2.469 -15.526 -22.198 553 2HE LYS 77 2HE LYS 77 1.216 -14.843 -21.164 554 1HZ LYS 77 1HZ LYS 77 2.840 -13.549 -20.020 555 2HZ LYS 77 2HZ LYS 77 3.065 -13.302 -21.679 556 3HZ LYS 77 3HZ LYS 77 4.117 -14.320 -20.826 557 H VAL 78 H VAL 78 3.838 -19.759 -17.515 558 HA VAL 78 HA VAL 78 4.523 -18.100 -15.398 559 HB VAL 78 HB VAL 78 5.710 -20.133 -15.619 560 1HG1 VAL 78 1HG1 VAL 78 6.682 -19.158 -18.301 561 2HG1 VAL 78 2HG1 VAL 78 5.519 -20.451 -18.009 562 3HG1 VAL 78 3HG1 VAL 78 7.200 -20.647 -17.508 563 1HG2 VAL 78 1HG2 VAL 78 7.636 -17.892 -16.235 564 2HG2 VAL 78 2HG2 VAL 78 8.072 -19.460 -15.555 565 3HG2 VAL 78 3HG2 VAL 78 7.047 -18.356 -14.638 566 H GLY 79 H GLY 79 4.262 -15.965 -15.748 567 1HA GLY 79 1HA GLY 79 5.928 -14.059 -16.237 568 2HA GLY 79 2HA GLY 79 5.801 -14.653 -17.890 569 H THR 80 H THR 80 2.980 -15.217 -16.470 570 HA THR 80 HA THR 80 1.461 -13.261 -17.820 571 HB THR 80 HB THR 80 0.596 -14.869 -15.410 572 HG1 THR 80 HG1 THR 80 1.186 -16.132 -17.250 573 1HG2 THR 80 1HG2 THR 80 -1.041 -13.366 -17.457 574 2HG2 THR 80 2HG2 THR 80 -0.831 -12.914 -15.765 575 3HG2 THR 80 3HG2 THR 80 -1.687 -14.400 -16.181 576 H LYS 81 H LYS 81 1.747 -11.204 -17.470 577 HA LYS 81 HA LYS 81 2.298 -10.272 -14.764 578 1HB LYS 81 1HB LYS 81 3.753 -9.383 -16.504 579 2HB LYS 81 2HB LYS 81 2.361 -8.700 -17.343 580 1HG LYS 81 1HG LYS 81 1.922 -7.200 -15.539 581 2HG LYS 81 2HG LYS 81 3.144 -7.972 -14.532 582 1HD LYS 81 1HD LYS 81 4.021 -5.923 -15.371 583 2HD LYS 81 2HD LYS 81 4.858 -7.253 -16.171 584 1HE LYS 81 1HE LYS 81 3.459 -6.967 -18.138 585 2HE LYS 81 2HE LYS 81 2.568 -5.674 -17.330 586 1HZ LYS 81 1HZ LYS 81 4.614 -4.391 -17.210 587 2HZ LYS 81 2HZ LYS 81 4.246 -4.781 -18.819 588 3HZ LYS 81 3HZ LYS 81 5.465 -5.632 -17.998 589 H VAL 82 H VAL 82 0.696 -9.814 -13.500 590 HA VAL 82 HA VAL 82 -1.524 -8.251 -14.624 591 HB VAL 82 HB VAL 82 -1.719 -10.138 -12.267 592 1HG1 VAL 82 1HG1 VAL 82 -3.255 -8.325 -12.040 593 2HG1 VAL 82 2HG1 VAL 82 -4.161 -9.746 -12.565 594 3HG1 VAL 82 3HG1 VAL 82 -3.763 -8.478 -13.723 595 1HG2 VAL 82 1HG2 VAL 82 -1.444 -11.395 -14.341 596 2HG2 VAL 82 2HG2 VAL 82 -2.760 -10.482 -15.079 597 3HG2 VAL 82 3HG2 VAL 82 -3.086 -11.558 -13.721 598 H LYS 83 H LYS 83 -1.559 -6.281 -13.903 599 HA LYS 83 HA LYS 83 0.019 -5.574 -11.563 600 1HB LYS 83 1HB LYS 83 -0.099 -3.269 -12.449 601 2HB LYS 83 2HB LYS 83 0.590 -4.402 -13.604 602 1HG LYS 83 1HG LYS 83 -1.501 -4.491 -14.816 603 2HG LYS 83 2HG LYS 83 -2.261 -3.434 -13.627 604 1HD LYS 83 1HD LYS 83 0.078 -2.690 -15.385 605 2HD LYS 83 2HD LYS 83 -1.602 -2.227 -15.668 606 1HE LYS 83 1HE LYS 83 -1.596 -1.095 -13.453 607 2HE LYS 83 2HE LYS 83 0.127 -1.449 -13.325 608 1HZ LYS 83 1HZ LYS 83 -1.125 0.158 -15.487 609 2HZ LYS 83 2HZ LYS 83 0.537 -0.121 -15.278 610 3HZ LYS 83 3HZ LYS 83 -0.320 0.798 -14.142 611 H ASN 84 H ASN 84 -0.730 -4.137 -10.015 612 HA ASN 84 HA ASN 84 -2.152 -3.075 -8.622 613 1HB ASN 84 1HB ASN 84 -3.952 -3.019 -11.048 614 2HB ASN 84 2HB ASN 84 -4.272 -2.154 -9.551 615 1HD2 ASN 84 1HD2 ASN 84 -3.977 -1.061 -12.171 616 2HD2 ASN 84 2HD2 ASN 84 -2.628 0.027 -12.120 617 H ILE 85 H ILE 85 -2.072 -5.855 -8.268 618 HA ILE 85 HA ILE 85 -4.542 -7.097 -8.229 619 HB ILE 85 HB ILE 85 -3.476 -8.583 -6.602 620 1HG1 ILE 85 1HG1 ILE 85 -1.110 -6.692 -6.655 621 2HG1 ILE 85 2HG1 ILE 85 -2.313 -6.664 -5.373 622 1HG2 ILE 85 1HG2 ILE 85 -1.648 -7.688 -8.833 623 2HG2 ILE 85 2HG2 ILE 85 -2.968 -8.851 -8.966 624 3HG2 ILE 85 3HG2 ILE 85 -1.549 -9.234 -7.990 625 1HD1 ILE 85 1HD1 ILE 85 -0.372 -7.909 -4.653 626 2HD1 ILE 85 2HD1 ILE 85 -0.483 -8.958 -6.067 627 3HD1 ILE 85 3HD1 ILE 85 -1.746 -9.003 -4.837 628 H ARG 86 H ARG 86 -5.380 -7.937 -6.089 629 HA ARG 86 HA ARG 86 -5.740 -5.814 -4.082 630 1HB ARG 86 1HB ARG 86 -7.746 -5.752 -5.403 631 2HB ARG 86 2HB ARG 86 -7.839 -7.503 -5.461 632 1HG ARG 86 1HG ARG 86 -9.522 -6.806 -3.981 633 2HG ARG 86 2HG ARG 86 -8.226 -7.440 -2.968 634 1HD ARG 86 1HD ARG 86 -9.202 -5.340 -2.110 635 2HD ARG 86 2HD ARG 86 -7.476 -5.220 -2.449 636 HE ARG 86 HE ARG 86 -8.606 -4.337 -4.745 637 1HH1 ARG 86 1HH1 ARG 86 -9.140 -3.490 -1.399 638 2HH1 ARG 86 2HH1 ARG 86 -9.435 -1.808 -1.736 639 1HH2 ARG 86 1HH2 ARG 86 -9.021 -2.156 -5.213 640 2HH2 ARG 86 2HH2 ARG 86 -9.394 -1.048 -3.924 641 H LEU 87 H LEU 87 -5.168 -6.636 -2.049 642 HA LEU 87 HA LEU 87 -4.694 -9.480 -1.876 643 1HB LEU 87 1HB LEU 87 -4.344 -7.383 0.262 644 2HB LEU 87 2HB LEU 87 -3.565 -8.950 0.160 645 HG LEU 87 HG LEU 87 -3.064 -6.672 -1.757 646 1HD1 LEU 87 1HD1 LEU 87 -1.421 -7.638 0.572 647 2HD1 LEU 87 2HD1 LEU 87 -2.293 -6.110 0.478 648 3HD1 LEU 87 3HD1 LEU 87 -0.930 -6.414 -0.600 649 1HD2 LEU 87 1HD2 LEU 87 -2.653 -8.872 -2.723 650 2HD2 LEU 87 2HD2 LEU 87 -1.630 -9.293 -1.350 651 3HD2 LEU 87 3HD2 LEU 87 -1.140 -8.007 -2.453 652 H VAL 88 H VAL 88 -6.085 -10.878 -0.962 653 HA VAL 88 HA VAL 88 -8.392 -9.733 0.441 654 HB VAL 88 HB VAL 88 -8.551 -12.584 -0.225 655 1HG1 VAL 88 1HG1 VAL 88 -10.317 -10.199 -0.764 656 2HG1 VAL 88 2HG1 VAL 88 -10.440 -11.308 0.605 657 3HG1 VAL 88 3HG1 VAL 88 -10.765 -11.886 -1.030 658 1HG2 VAL 88 1HG2 VAL 88 -8.990 -12.163 -2.639 659 2HG2 VAL 88 2HG2 VAL 88 -7.298 -11.959 -2.180 660 3HG2 VAL 88 3HG2 VAL 88 -8.322 -10.541 -2.437 661 H ASP 89 H ASP 89 -9.348 -11.684 1.951 662 HA ASP 89 HA ASP 89 -7.785 -11.380 4.265 663 1HB ASP 89 1HB ASP 89 -10.034 -13.353 3.839 664 2HB ASP 89 2HB ASP 89 -9.455 -12.733 5.381 665 H GLY 90 H GLY 90 -8.252 -14.186 2.156 666 1HA GLY 90 1HA GLY 90 -6.725 -15.901 3.914 667 2HA GLY 90 2HA GLY 90 -7.428 -16.349 2.367 668 H ASP 91 H ASP 91 -4.879 -17.145 3.150 669 HA ASP 91 HA ASP 91 -2.860 -15.455 2.038 670 1HB ASP 91 1HB ASP 91 -2.809 -18.429 2.623 671 2HB ASP 91 2HB ASP 91 -1.401 -17.452 2.223 672 H HIS 92 H HIS 92 -4.936 -17.940 0.864 673 HA HIS 92 HA HIS 92 -3.606 -18.150 -1.717 674 1HB HIS 92 1HB HIS 92 -5.329 -19.870 -2.180 675 2HB HIS 92 2HB HIS 92 -4.473 -20.200 -0.678 676 HD1 HIS 92 HD1 HIS 92 -7.814 -19.882 -2.043 677 HD2 HIS 92 HD2 HIS 92 -6.053 -19.380 1.681 678 HE1 HIS 92 HE1 HIS 92 -9.709 -19.915 -0.395 679 HE2 HIS 92 HE2 HIS 92 -8.633 -19.339 1.813 680 H ASP 93 H ASP 93 -4.319 -15.602 -1.557 681 HA ASP 93 HA ASP 93 -6.840 -15.332 -2.916 682 1HB ASP 93 1HB ASP 93 -6.469 -14.529 -0.085 683 2HB ASP 93 2HB ASP 93 -7.507 -13.557 -1.120 684 H ILE 94 H ILE 94 -5.512 -14.513 -4.536 685 HA ILE 94 HA ILE 94 -5.031 -11.633 -4.101 686 HB ILE 94 HB ILE 94 -3.829 -13.385 -6.244 687 1HG1 ILE 94 1HG1 ILE 94 -2.364 -12.189 -3.907 688 2HG1 ILE 94 2HG1 ILE 94 -3.127 -13.771 -3.795 689 1HG2 ILE 94 1HG2 ILE 94 -4.059 -11.052 -6.907 690 2HG2 ILE 94 2HG2 ILE 94 -2.362 -11.464 -6.660 691 3HG2 ILE 94 3HG2 ILE 94 -3.235 -10.540 -5.436 692 1HD1 ILE 94 1HD1 ILE 94 -0.778 -13.961 -4.296 693 2HD1 ILE 94 2HD1 ILE 94 -0.989 -12.977 -5.745 694 3HD1 ILE 94 3HD1 ILE 94 -1.756 -14.562 -5.634 695 H ASP 95 H ASP 95 -6.772 -10.592 -4.790 696 HA ASP 95 HA ASP 95 -8.284 -11.747 -7.010 697 1HB ASP 95 1HB ASP 95 -9.389 -10.981 -4.870 698 2HB ASP 95 2HB ASP 95 -8.951 -9.335 -5.306 699 H CYS 96 H CYS 96 -7.319 -11.224 -8.833 700 HA CYS 96 HA CYS 96 -6.538 -8.440 -9.281 701 1HB CYS 96 1HB CYS 96 -5.207 -9.297 -11.143 702 2HB CYS 96 2HB CYS 96 -4.803 -10.113 -9.638 703 HG CYS 96 HG CYS 96 -6.858 -12.173 -10.572 704 H LYS 97 H LYS 97 -6.951 -7.457 -11.329 705 HA LYS 97 HA LYS 97 -9.421 -8.443 -12.570 706 1HB LYS 97 1HB LYS 97 -9.984 -6.078 -13.045 707 2HB LYS 97 2HB LYS 97 -9.895 -6.419 -11.324 708 1HG LYS 97 1HG LYS 97 -7.590 -5.458 -11.330 709 2HG LYS 97 2HG LYS 97 -7.860 -4.972 -13.005 710 1HD LYS 97 1HD LYS 97 -9.796 -3.642 -12.299 711 2HD LYS 97 2HD LYS 97 -9.514 -4.123 -10.626 712 1HE LYS 97 1HE LYS 97 -8.593 -1.949 -10.904 713 2HE LYS 97 2HE LYS 97 -7.246 -3.080 -10.803 714 1HZ LYS 97 1HZ LYS 97 -6.921 -1.449 -12.556 715 2HZ LYS 97 2HZ LYS 97 -8.352 -1.938 -13.317 716 3HZ LYS 97 3HZ LYS 97 -7.039 -3.008 -13.208 717 H ILE 98 H ILE 98 -9.489 -8.517 -14.757 718 HA ILE 98 HA ILE 98 -7.105 -7.599 -16.205 719 HB ILE 98 HB ILE 98 -8.643 -10.141 -16.794 720 1HG1 ILE 98 1HG1 ILE 98 -6.152 -11.008 -16.407 721 2HG1 ILE 98 2HG1 ILE 98 -6.095 -9.605 -15.348 722 1HG2 ILE 98 1HG2 ILE 98 -6.202 -8.997 -18.130 723 2HG2 ILE 98 2HG2 ILE 98 -7.835 -9.007 -18.799 724 3HG2 ILE 98 3HG2 ILE 98 -6.985 -10.530 -18.514 725 1HD1 ILE 98 1HD1 ILE 98 -8.061 -11.869 -15.191 726 2HD1 ILE 98 2HD1 ILE 98 -8.027 -10.458 -14.132 727 3HD1 ILE 98 3HD1 ILE 98 -6.684 -11.602 -14.121 728 H ASP 99 H ASP 99 -7.808 -5.912 -17.292 729 HA ASP 99 HA ASP 99 -10.521 -5.378 -17.791 730 1HB ASP 99 1HB ASP 99 -8.030 -4.120 -18.930 731 2HB ASP 99 2HB ASP 99 -9.654 -3.476 -19.160 732 H GLY 100 H GLY 100 -11.641 -6.702 -19.037 733 1HA GLY 100 1HA GLY 100 -11.927 -6.774 -21.640 734 2HA GLY 100 2HA GLY 100 -10.454 -7.721 -21.505 735 H ILE 101 H ILE 101 -10.633 -9.471 -19.736 736 HA ILE 101 HA ILE 101 -13.001 -11.017 -20.405 737 HB ILE 101 HB ILE 101 -11.844 -12.925 -19.374 738 1HG1 ILE 101 1HG1 ILE 101 -9.541 -11.004 -18.924 739 2HG1 ILE 101 2HG1 ILE 101 -10.571 -11.652 -17.652 740 1HG2 ILE 101 1HG2 ILE 101 -11.489 -12.568 -21.707 741 2HG2 ILE 101 2HG2 ILE 101 -9.937 -13.023 -21.000 742 3HG2 ILE 101 3HG2 ILE 101 -10.268 -11.336 -21.391 743 1HD1 ILE 101 1HD1 ILE 101 -8.764 -13.253 -19.448 744 2HD1 ILE 101 2HD1 ILE 101 -9.795 -13.905 -18.174 745 3HD1 ILE 101 3HD1 ILE 101 -8.457 -12.831 -17.763 746 H GLY 102 H GLY 102 -11.250 -9.986 -17.480 747 1HA GLY 102 1HA GLY 102 -13.120 -8.826 -16.006 748 2HA GLY 102 2HA GLY 102 -13.632 -10.505 -15.879 749 H ALA 103 H ALA 103 -13.229 -10.155 -13.559 750 HA ALA 103 HA ALA 103 -10.464 -9.907 -12.737 751 1HB ALA 103 1HB ALA 103 -12.241 -8.903 -11.381 752 2HB ALA 103 2HB ALA 103 -11.298 -10.082 -10.464 753 3HB ALA 103 3HB ALA 103 -12.902 -10.509 -11.067 754 H MET 104 H MET 104 -9.262 -11.484 -11.661 755 HA MET 104 HA MET 104 -10.271 -14.234 -11.807 756 1HB MET 104 1HB MET 104 -8.947 -13.858 -13.828 757 2HB MET 104 2HB MET 104 -7.599 -13.280 -12.860 758 1HG MET 104 1HG MET 104 -7.263 -15.447 -11.914 759 2HG MET 104 2HG MET 104 -8.735 -16.053 -12.667 760 1HE MET 104 1HE MET 104 -6.063 -13.656 -14.289 761 2HE MET 104 2HE MET 104 -4.967 -14.817 -15.039 762 3HE MET 104 3HE MET 104 -5.088 -14.726 -13.282 763 H LYS 105 H LYS 105 -9.184 -15.709 -10.402 764 HA LYS 105 HA LYS 105 -8.045 -14.373 -8.045 765 1HB LYS 105 1HB LYS 105 -8.828 -17.263 -8.146 766 2HB LYS 105 2HB LYS 105 -8.770 -16.195 -6.760 767 1HG LYS 105 1HG LYS 105 -10.795 -16.040 -8.982 768 2HG LYS 105 2HG LYS 105 -11.059 -16.801 -7.414 769 1HD LYS 105 1HD LYS 105 -10.372 -13.899 -7.852 770 2HD LYS 105 2HD LYS 105 -11.992 -14.525 -7.536 771 1HE LYS 105 1HE LYS 105 -11.037 -15.519 -5.405 772 2HE LYS 105 2HE LYS 105 -9.605 -14.536 -5.703 773 1HZ LYS 105 1HZ LYS 105 -11.089 -13.400 -4.211 774 2HZ LYS 105 2HZ LYS 105 -12.375 -13.543 -5.307 775 3HZ LYS 105 3HZ LYS 105 -11.046 -12.561 -5.689 776 H LEU 106 H LEU 106 -6.063 -15.107 -7.165 777 HA LEU 106 HA LEU 106 -4.513 -16.860 -8.938 778 1HB LEU 106 1HB LEU 106 -3.636 -14.234 -7.759 779 2HB LEU 106 2HB LEU 106 -2.545 -15.382 -8.506 780 HG LEU 106 HG LEU 106 -4.843 -14.021 -9.911 781 1HD1 LEU 106 1HD1 LEU 106 -1.879 -13.513 -10.027 782 2HD1 LEU 106 2HD1 LEU 106 -3.088 -12.454 -9.302 783 3HD1 LEU 106 3HD1 LEU 106 -3.098 -12.742 -11.042 784 1HD2 LEU 106 1HD2 LEU 106 -4.302 -16.218 -10.840 785 2HD2 LEU 106 2HD2 LEU 106 -2.606 -15.753 -10.964 786 3HD2 LEU 106 3HD2 LEU 106 -3.821 -14.926 -11.939 787 H LYS 107 H LYS 107 -3.377 -18.314 -8.023 788 HA LYS 107 HA LYS 107 -3.416 -18.643 -5.170 789 1HB LYS 107 1HB LYS 107 -3.335 -20.434 -7.253 790 2HB LYS 107 2HB LYS 107 -1.680 -20.480 -6.656 791 1HG LYS 107 1HG LYS 107 -2.446 -21.030 -4.437 792 2HG LYS 107 2HG LYS 107 -4.127 -20.863 -4.944 793 1HD LYS 107 1HD LYS 107 -3.663 -22.703 -6.619 794 2HD LYS 107 2HD LYS 107 -2.135 -22.959 -5.774 795 1HE LYS 107 1HE LYS 107 -4.885 -23.125 -4.543 796 2HE LYS 107 2HE LYS 107 -3.872 -24.497 -4.988 797 1HZ LYS 107 1HZ LYS 107 -2.272 -23.874 -3.347 798 2HZ LYS 107 2HZ LYS 107 -3.793 -23.925 -2.599 799 3HZ LYS 107 3HZ LYS 107 -3.096 -22.432 -2.996 800 H SER 108 H SER 108 -2.052 -17.700 -3.903 801 HA SER 108 HA SER 108 0.027 -16.069 -4.672 802 1HB SER 108 1HB SER 108 0.725 -16.400 -2.197 803 2HB SER 108 2HB SER 108 -0.869 -15.722 -2.539 804 HG SER 108 HG SER 108 -1.382 -17.300 -1.186 805 H GLU 109 H GLU 109 0.083 -19.462 -3.750 806 HA GLU 109 HA GLU 109 2.896 -19.698 -3.633 807 1HB GLU 109 1HB GLU 109 0.794 -21.823 -4.052 808 2HB GLU 109 2HB GLU 109 2.465 -22.110 -3.585 809 1HG GLU 109 1HG GLU 109 2.106 -20.887 -1.519 810 2HG GLU 109 2HG GLU 109 0.436 -20.575 -1.983 811 H PHE 110 H PHE 110 0.909 -19.215 -6.299 812 HA PHE 110 HA PHE 110 2.937 -20.488 -8.012 813 1HB PHE 110 1HB PHE 110 -0.013 -20.081 -8.384 814 2HB PHE 110 2HB PHE 110 1.042 -20.371 -9.758 815 HD1 PHE 110 HD1 PHE 110 -0.526 -21.827 -6.808 816 HD2 PHE 110 HD2 PHE 110 2.170 -22.519 -10.024 817 HE1 PHE 110 HE1 PHE 110 -0.659 -24.246 -6.392 818 HE2 PHE 110 HE2 PHE 110 2.039 -24.942 -9.618 819 HZ PHE 110 HZ PHE 110 0.624 -25.809 -7.798 820 H VAL 111 H VAL 111 2.295 -17.544 -6.822 821 HA VAL 111 HA VAL 111 2.849 -16.221 -9.402 822 HB VAL 111 HB VAL 111 1.807 -14.187 -8.556 823 1HG1 VAL 111 1HG1 VAL 111 0.041 -16.622 -8.338 824 2HG1 VAL 111 2HG1 VAL 111 0.430 -15.735 -9.812 825 3HG1 VAL 111 3HG1 VAL 111 -0.529 -14.965 -8.548 826 1HG2 VAL 111 1HG2 VAL 111 0.498 -14.234 -6.470 827 2HG2 VAL 111 2HG2 VAL 111 2.227 -14.436 -6.188 828 3HG2 VAL 111 3HG2 VAL 111 1.152 -15.835 -6.117 829 H ARG 112 H ARG 112 3.829 -13.929 -8.965 830 HA ARG 112 HA ARG 112 5.814 -13.939 -6.849 831 1HB ARG 112 1HB ARG 112 7.191 -15.015 -8.345 832 2HB ARG 112 2HB ARG 112 6.434 -14.274 -9.749 833 1HG ARG 112 1HG ARG 112 7.670 -12.330 -9.550 834 2HG ARG 112 2HG ARG 112 8.028 -12.609 -7.843 835 1HD ARG 112 1HD ARG 112 9.463 -14.502 -8.486 836 2HD ARG 112 2HD ARG 112 9.136 -14.153 -10.173 837 HE ARG 112 HE ARG 112 10.440 -12.179 -8.413 838 1HH1 ARG 112 1HH1 ARG 112 10.325 -14.011 -11.407 839 2HH1 ARG 112 2HH1 ARG 112 11.780 -13.300 -12.041 840 1HH2 ARG 112 1HH2 ARG 112 12.343 -11.235 -9.258 841 2HH2 ARG 112 2HH2 ARG 112 12.913 -11.714 -10.835 842 H LYS 113 H LYS 113 6.421 -11.942 -6.216 843 HA LYS 113 HA LYS 113 5.067 -9.658 -7.196 844 1HB LYS 113 1HB LYS 113 5.821 -9.942 -4.849 845 2HB LYS 113 2HB LYS 113 7.488 -9.811 -5.395 846 1HG LYS 113 1HG LYS 113 7.091 -7.548 -6.155 847 2HG LYS 113 2HG LYS 113 5.392 -7.674 -5.690 848 1HD LYS 113 1HD LYS 113 6.156 -8.120 -3.353 849 2HD LYS 113 2HD LYS 113 7.798 -7.743 -3.884 850 1HE LYS 113 1HE LYS 113 7.104 -5.520 -4.536 851 2HE LYS 113 2HE LYS 113 5.435 -5.889 -4.103 852 1HZ LYS 113 1HZ LYS 113 7.750 -5.759 -2.245 853 2HZ LYS 113 2HZ LYS 113 6.181 -6.226 -1.803 854 3HZ LYS 113 3HZ LYS 113 6.470 -4.647 -2.346 855 H VAL 114 H VAL 114 5.550 -8.539 -8.936 856 HA VAL 114 HA VAL 114 8.122 -8.706 -10.228 857 HB VAL 114 HB VAL 114 5.828 -6.843 -10.869 858 1HG1 VAL 114 1HG1 VAL 114 8.182 -7.747 -12.530 859 2HG1 VAL 114 2HG1 VAL 114 7.946 -6.140 -11.842 860 3HG1 VAL 114 3HG1 VAL 114 6.855 -6.731 -13.095 861 1HG2 VAL 114 1HG2 VAL 114 6.447 -9.571 -11.989 862 2HG2 VAL 114 2HG2 VAL 114 5.204 -8.473 -12.590 863 3HG2 VAL 114 3HG2 VAL 114 5.076 -9.147 -10.965 864 H GLY 115 H GLY 115 6.203 -6.081 -8.758 865 1HA GLY 115 1HA GLY 115 7.166 -4.529 -7.217 866 2HA GLY 115 2HA GLY 115 8.732 -4.815 -7.960 867 H SER 116 H SER 116 6.926 -4.614 -10.571 868 HA SER 116 HA SER 116 7.633 -1.889 -11.096 869 1HB SER 116 1HB SER 116 5.994 -3.819 -12.763 870 2HB SER 116 2HB SER 116 6.694 -2.300 -13.325 871 HG SER 116 HG SER 116 8.751 -3.387 -12.468 Start of MODEL 8 1 H MET 1 H MET 1 -3.533 -0.307 18.665 2 HA MET 1 HA MET 1 -4.736 1.202 20.027 3 1HB MET 1 1HB MET 1 -5.835 -0.356 21.465 4 2HB MET 1 2HB MET 1 -5.275 -1.265 20.068 5 1HG MET 1 1HG MET 1 -3.908 -1.147 22.750 6 2HG MET 1 2HG MET 1 -4.908 -2.472 22.158 7 1HE MET 1 1HE MET 1 -1.131 -3.749 22.197 8 2HE MET 1 2HE MET 1 -2.722 -3.941 22.934 9 3HE MET 1 3HE MET 1 -1.771 -2.489 23.250 10 H VAL 2 H VAL 2 -1.683 0.689 21.036 11 HA VAL 2 HA VAL 2 -2.094 1.854 23.678 12 HB VAL 2 HB VAL 2 -0.520 -0.009 23.581 13 1HG1 VAL 2 1HG1 VAL 2 0.262 0.225 21.289 14 2HG1 VAL 2 2HG1 VAL 2 1.619 0.174 22.414 15 3HG1 VAL 2 3HG1 VAL 2 1.109 1.712 21.718 16 1HG2 VAL 2 1HG2 VAL 2 0.836 2.628 24.112 17 2HG2 VAL 2 2HG2 VAL 2 1.391 1.056 24.689 18 3HG2 VAL 2 3HG2 VAL 2 -0.148 1.709 25.250 19 H SER 3 H SER 3 -1.808 3.956 24.067 20 HA SER 3 HA SER 3 -1.196 5.631 21.771 21 1HB SER 3 1HB SER 3 -2.197 6.395 24.522 22 2HB SER 3 2HB SER 3 -2.086 7.468 23.126 23 HG SER 3 HG SER 3 -3.683 5.117 23.293 24 H THR 4 H THR 4 1.080 4.811 21.965 25 HA THR 4 HA THR 4 2.593 6.714 23.622 26 HB THR 4 HB THR 4 4.456 5.007 23.630 27 HG1 THR 4 HG1 THR 4 3.323 3.728 21.908 28 1HG2 THR 4 1HG2 THR 4 3.077 5.408 25.608 29 2HG2 THR 4 2HG2 THR 4 3.520 3.705 25.482 30 3HG2 THR 4 3HG2 THR 4 1.897 4.230 25.032 31 H LEU 5 H LEU 5 3.596 8.135 22.392 32 HA LEU 5 HA LEU 5 4.305 7.368 19.637 33 1HB LEU 5 1HB LEU 5 3.911 10.142 20.755 34 2HB LEU 5 2HB LEU 5 4.157 9.717 19.075 35 HG LEU 5 HG LEU 5 1.737 8.892 20.681 36 1HD1 LEU 5 1HD1 LEU 5 2.054 11.138 18.697 37 2HD1 LEU 5 2HD1 LEU 5 1.807 11.314 20.435 38 3HD1 LEU 5 3HD1 LEU 5 0.539 10.612 19.430 39 1HD2 LEU 5 1HD2 LEU 5 2.314 8.809 17.723 40 2HD2 LEU 5 2HD2 LEU 5 0.792 8.359 18.492 41 3HD2 LEU 5 3HD2 LEU 5 2.251 7.418 18.806 42 HA PRO 6 HA PRO 6 8.567 8.033 20.695 43 1HB PRO 6 1HB PRO 6 9.562 8.821 18.297 44 2HB PRO 6 2HB PRO 6 9.111 7.145 18.633 45 1HG PRO 6 1HG PRO 6 7.599 9.267 17.180 46 2HG PRO 6 2HG PRO 6 7.787 7.553 16.770 47 1HD PRO 6 1HD PRO 6 5.560 8.547 17.965 48 2HD PRO 6 2HD PRO 6 6.140 6.895 18.241 49 HA PRO 7 HA PRO 7 9.076 12.363 21.508 50 1HB PRO 7 1HB PRO 7 11.972 12.048 21.120 51 2HB PRO 7 2HB PRO 7 11.079 12.501 22.575 52 1HG PRO 7 1HG PRO 7 12.278 10.103 22.309 53 2HG PRO 7 2HG PRO 7 10.774 10.320 23.219 54 1HD PRO 7 1HD PRO 7 11.179 9.217 20.463 55 2HD PRO 7 2HD PRO 7 10.053 8.693 21.733 56 H CYS 8 H CYS 8 10.858 14.097 20.698 57 HA CYS 8 HA CYS 8 10.362 14.339 17.833 58 1HB CYS 8 1HB CYS 8 9.548 16.137 19.245 59 2HB CYS 8 2HB CYS 8 11.139 16.334 19.965 60 HA PRO 9 HA PRO 9 14.740 13.464 17.294 61 1HB PRO 9 1HB PRO 9 14.803 13.826 14.601 62 2HB PRO 9 2HB PRO 9 14.174 12.356 15.354 63 1HG PRO 9 1HG PRO 9 12.683 14.725 14.292 64 2HG PRO 9 2HG PRO 9 12.320 12.999 14.104 65 1HD PRO 9 1HD PRO 9 11.043 14.563 15.903 66 2HD PRO 9 2HD PRO 9 11.366 12.844 16.200 67 H GLN 10 H GLN 10 13.167 16.289 17.302 68 HA GLN 10 HA GLN 10 15.432 17.862 16.320 69 1HB GLN 10 1HB GLN 10 12.614 18.751 16.957 70 2HB GLN 10 2HB GLN 10 13.889 19.767 16.297 71 1HG GLN 10 1HG GLN 10 13.895 18.575 14.249 72 2HG GLN 10 2HG GLN 10 12.858 17.314 14.913 73 1HE2 GLN 10 1HE2 GLN 10 10.672 17.678 15.110 74 2HE2 GLN 10 2HE2 GLN 10 9.874 19.003 14.345 75 H CYS 11 H CYS 11 13.182 17.583 19.158 76 HA CYS 11 HA CYS 11 15.268 18.943 20.695 77 1HB CYS 11 1HB CYS 11 13.496 19.959 22.063 78 2HB CYS 11 2HB CYS 11 13.365 20.434 20.378 79 H ASN 12 H ASN 12 12.796 16.429 20.657 80 HA ASN 12 HA ASN 12 12.603 14.471 21.814 81 1HB ASN 12 1HB ASN 12 15.161 14.558 21.603 82 2HB ASN 12 2HB ASN 12 15.164 15.112 23.273 83 1HD2 ASN 12 1HD2 ASN 12 14.613 12.446 21.140 84 2HD2 ASN 12 2HD2 ASN 12 14.494 11.222 22.362 85 H SER 13 H SER 13 12.185 17.353 22.958 86 HA SER 13 HA SER 13 11.969 17.244 25.727 87 1HB SER 13 1HB SER 13 10.099 18.636 23.799 88 2HB SER 13 2HB SER 13 10.286 19.011 25.509 89 HG SER 13 HG SER 13 11.523 20.291 23.833 90 H GLU 14 H GLU 14 9.969 15.855 23.289 91 HA GLU 14 HA GLU 14 8.752 13.927 23.402 92 1HB GLU 14 1HB GLU 14 8.813 14.321 26.389 93 2HB GLU 14 2HB GLU 14 7.973 12.999 25.583 94 1HG GLU 14 1HG GLU 14 10.088 12.322 24.568 95 2HG GLU 14 2HG GLU 14 10.902 13.590 25.477 96 H TYR 15 H TYR 15 7.946 16.921 23.754 97 HA TYR 15 HA TYR 15 5.181 16.462 24.401 98 1HB TYR 15 1HB TYR 15 6.678 18.966 23.612 99 2HB TYR 15 2HB TYR 15 4.938 18.933 23.879 100 HD1 TYR 15 HD1 TYR 15 8.224 18.515 25.502 101 HD2 TYR 15 HD2 TYR 15 4.030 18.918 26.072 102 HE1 TYR 15 HE1 TYR 15 8.593 18.856 27.903 103 HE2 TYR 15 HE2 TYR 15 4.384 19.266 28.478 104 HH TYR 15 HH TYR 15 6.132 18.656 30.181 105 H THR 16 H THR 16 5.702 14.881 22.454 106 HA THR 16 HA THR 16 4.954 16.170 19.926 107 HB THR 16 HB THR 16 5.963 13.342 20.281 108 HG1 THR 16 HG1 THR 16 7.288 15.668 20.673 109 1HG2 THR 16 1HG2 THR 16 4.932 13.902 18.123 110 2HG2 THR 16 2HG2 THR 16 6.664 13.619 17.950 111 3HG2 THR 16 3HG2 THR 16 6.034 15.266 17.952 112 H TYR 17 H TYR 17 3.242 15.192 18.674 113 HA TYR 17 HA TYR 17 1.508 13.304 19.994 114 1HB TYR 17 1HB TYR 17 -0.439 14.736 20.115 115 2HB TYR 17 2HB TYR 17 0.869 15.471 21.030 116 HD1 TYR 17 HD1 TYR 17 -1.196 15.719 18.003 117 HD2 TYR 17 HD2 TYR 17 1.824 17.599 20.339 118 HE1 TYR 17 HE1 TYR 17 -1.544 17.808 16.761 119 HE2 TYR 17 HE2 TYR 17 1.481 19.689 19.102 120 HH TYR 17 HH TYR 17 -1.173 20.133 16.922 121 H GLU 18 H GLU 18 -0.646 13.175 18.546 122 HA GLU 18 HA GLU 18 0.346 13.055 15.782 123 1HB GLU 18 1HB GLU 18 -1.451 11.388 15.407 124 2HB GLU 18 2HB GLU 18 -0.300 10.883 16.634 125 1HG GLU 18 1HG GLU 18 -1.838 11.398 18.388 126 2HG GLU 18 2HG GLU 18 -2.962 12.140 17.250 127 H ASP 19 H ASP 19 -0.514 14.370 14.308 128 HA ASP 19 HA ASP 19 -3.063 15.686 14.931 129 1HB ASP 19 1HB ASP 19 -1.001 17.145 14.740 130 2HB ASP 19 2HB ASP 19 -0.926 16.691 13.040 131 H GLY 20 H GLY 20 -2.602 13.075 13.681 132 1HA GLY 20 1HA GLY 20 -4.500 12.640 11.957 133 2HA GLY 20 2HA GLY 20 -3.423 13.548 10.906 134 H ALA 21 H ALA 21 -2.049 12.416 9.732 135 HA ALA 21 HA ALA 21 -1.729 9.562 10.358 136 1HB ALA 21 1HB ALA 21 -2.623 10.130 8.148 137 2HB ALA 21 2HB ALA 21 -1.067 9.309 8.026 138 3HB ALA 21 3HB ALA 21 -1.162 11.055 7.797 139 H LEU 22 H LEU 22 -0.216 12.018 11.422 140 HA LEU 22 HA LEU 22 2.409 10.836 11.259 141 1HB LEU 22 1HB LEU 22 3.577 12.635 10.364 142 2HB LEU 22 2HB LEU 22 2.162 12.525 9.338 143 HG LEU 22 HG LEU 22 2.442 14.483 11.620 144 1HD1 LEU 22 1HD1 LEU 22 2.915 14.840 8.671 145 2HD1 LEU 22 2HD1 LEU 22 4.109 14.981 9.965 146 3HD1 LEU 22 3HD1 LEU 22 2.795 16.154 9.839 147 1HD2 LEU 22 1HD2 LEU 22 0.556 15.616 10.547 148 2HD2 LEU 22 2HD2 LEU 22 0.128 13.980 11.049 149 3HD2 LEU 22 3HD2 LEU 22 0.460 14.323 9.351 150 H LEU 23 H LEU 23 3.935 12.549 12.529 151 HA LEU 23 HA LEU 23 2.481 13.346 14.965 152 1HB LEU 23 1HB LEU 23 5.412 12.698 14.885 153 2HB LEU 23 2HB LEU 23 4.331 12.713 16.266 154 HG LEU 23 HG LEU 23 4.248 10.661 14.054 155 1HD1 LEU 23 1HD1 LEU 23 5.251 9.146 15.676 156 2HD1 LEU 23 2HD1 LEU 23 5.406 10.474 16.826 157 3HD1 LEU 23 3HD1 LEU 23 6.317 10.504 15.315 158 1HD2 LEU 23 1HD2 LEU 23 2.103 10.988 15.176 159 2HD2 LEU 23 2HD2 LEU 23 2.880 10.738 16.741 160 3HD2 LEU 23 3HD2 LEU 23 2.806 9.420 15.570 161 H VAL 24 H VAL 24 2.930 15.458 15.743 162 HA VAL 24 HA VAL 24 4.963 16.941 14.249 163 HB VAL 24 HB VAL 24 3.639 18.745 13.749 164 1HG1 VAL 24 1HG1 VAL 24 2.818 16.882 12.456 165 2HG1 VAL 24 2HG1 VAL 24 1.502 17.995 12.827 166 3HG1 VAL 24 3HG1 VAL 24 1.657 16.483 13.722 167 1HG2 VAL 24 1HG2 VAL 24 2.861 19.239 15.982 168 2HG2 VAL 24 2HG2 VAL 24 1.684 17.927 15.890 169 3HG2 VAL 24 3HG2 VAL 24 1.524 19.332 14.836 170 H CYS 25 H CYS 25 6.031 18.529 15.425 171 HA CYS 25 HA CYS 25 5.675 18.354 18.327 172 1HB CYS 25 1HB CYS 25 7.923 17.829 17.561 173 2HB CYS 25 2HB CYS 25 8.003 19.341 16.665 174 HA PRO 26 HA PRO 26 3.686 22.371 17.907 175 1HB PRO 26 1HB PRO 26 3.292 22.650 20.615 176 2HB PRO 26 2HB PRO 26 2.194 21.784 19.535 177 1HG PRO 26 1HG PRO 26 4.328 20.710 21.331 178 2HG PRO 26 2HG PRO 26 2.702 20.075 21.017 179 1HD PRO 26 1HD PRO 26 4.879 19.001 19.872 180 2HD PRO 26 2HD PRO 26 3.331 19.109 19.009 181 H GLU 27 H GLU 27 6.432 21.416 19.789 182 HA GLU 27 HA GLU 27 7.118 24.056 20.648 183 1HB GLU 27 1HB GLU 27 7.816 22.239 22.044 184 2HB GLU 27 2HB GLU 27 8.658 21.461 20.710 185 1HG GLU 27 1HG GLU 27 10.393 22.998 20.738 186 2HG GLU 27 2HG GLU 27 9.446 24.198 21.612 187 H CYS 28 H CYS 28 8.735 21.784 18.283 188 HA CYS 28 HA CYS 28 10.471 23.853 17.441 189 1HB CYS 28 1HB CYS 28 9.903 21.106 16.307 190 2HB CYS 28 2HB CYS 28 11.206 22.159 15.776 191 H ALA 29 H ALA 29 7.206 23.421 16.717 192 HA ALA 29 HA ALA 29 5.866 23.929 15.014 193 1HB ALA 29 1HB ALA 29 8.103 25.806 14.269 194 2HB ALA 29 2HB ALA 29 6.850 26.125 15.467 195 3HB ALA 29 3HB ALA 29 6.416 25.938 13.768 196 H HIS 30 H HIS 30 7.459 21.638 14.543 197 HA HIS 30 HA HIS 30 7.392 21.657 11.620 198 1HB HIS 30 1HB HIS 30 9.775 20.841 13.267 199 2HB HIS 30 2HB HIS 30 9.505 20.187 11.658 200 HD1 HIS 30 HD1 HIS 30 8.834 22.507 9.965 201 HD2 HIS 30 HD2 HIS 30 11.609 22.799 13.052 202 HE1 HIS 30 HE1 HIS 30 10.314 24.452 9.367 203 HE2 HIS 30 HE2 HIS 30 11.851 24.732 11.347 204 H GLU 31 H GLU 31 6.550 19.886 10.757 205 HA GLU 31 HA GLU 31 5.591 17.786 12.530 206 1HB GLU 31 1HB GLU 31 5.087 18.098 9.566 207 2HB GLU 31 2HB GLU 31 4.177 17.121 10.703 208 1HG GLU 31 1HG GLU 31 2.825 18.966 10.278 209 2HG GLU 31 2HG GLU 31 3.552 19.296 11.849 210 H TRP 32 H TRP 32 5.822 15.485 11.861 211 HA TRP 32 HA TRP 32 7.774 14.838 9.855 212 1HB TRP 32 1HB TRP 32 9.564 14.169 11.123 213 2HB TRP 32 2HB TRP 32 8.969 15.480 12.129 214 HD1 TRP 32 HD1 TRP 32 6.962 14.354 14.013 215 HE1 TRP 32 HE1 TRP 32 7.445 12.396 15.628 216 HE3 TRP 32 HE3 TRP 32 10.935 12.262 11.582 217 HZ2 TRP 32 HZ2 TRP 32 9.265 10.255 15.828 218 HZ3 TRP 32 HZ3 TRP 32 11.991 10.265 12.550 219 HH2 TRP 32 HH2 TRP 32 11.172 9.281 14.628 220 H SER 33 H SER 33 8.026 12.482 9.630 221 HA SER 33 HA SER 33 5.709 11.051 10.739 222 1HB SER 33 1HB SER 33 5.555 11.437 8.282 223 2HB SER 33 2HB SER 33 7.056 10.535 8.075 224 HG SER 33 HG SER 33 4.568 9.596 8.264 225 HA PRO 34 HA PRO 34 8.688 8.569 12.789 226 1HB PRO 34 1HB PRO 34 7.145 6.332 13.208 227 2HB PRO 34 2HB PRO 34 7.082 7.795 14.190 228 1HG PRO 34 1HG PRO 34 5.266 6.906 12.000 229 2HG PRO 34 2HG PRO 34 4.878 7.742 13.513 230 1HD PRO 34 1HD PRO 34 4.993 9.013 11.123 231 2HD PRO 34 2HD PRO 34 5.403 9.808 12.655 232 H ASN 35 H ASN 35 7.041 7.314 9.945 233 HA ASN 35 HA ASN 35 9.420 5.666 9.415 234 1HB ASN 35 1HB ASN 35 6.554 4.768 9.057 235 2HB ASN 35 2HB ASN 35 7.944 3.913 8.402 236 1HD2 ASN 35 1HD2 ASN 35 6.094 4.641 11.215 237 2HD2 ASN 35 2HD2 ASN 35 6.905 3.546 12.291 238 H GLU 36 H GLU 36 6.532 7.182 8.060 239 HA GLU 36 HA GLU 36 7.109 6.702 5.355 240 1HB GLU 36 1HB GLU 36 4.899 7.335 6.353 241 2HB GLU 36 2HB GLU 36 5.497 8.980 6.500 242 1HG GLU 36 1HG GLU 36 5.803 9.043 4.051 243 2HG GLU 36 2HG GLU 36 5.085 7.434 3.955 244 H ALA 37 H ALA 37 8.481 8.949 7.533 245 HA ALA 37 HA ALA 37 9.099 11.077 5.796 246 1HB ALA 37 1HB ALA 37 10.731 11.744 7.464 247 2HB ALA 37 2HB ALA 37 10.613 10.165 8.238 248 3HB ALA 37 3HB ALA 37 9.225 11.254 8.240 249 H ALA 38 H ALA 38 10.392 7.915 6.049 250 HA ALA 38 HA ALA 38 13.015 8.439 5.084 251 1HB ALA 38 1HB ALA 38 11.421 5.879 4.997 252 2HB ALA 38 2HB ALA 38 12.459 6.404 6.323 253 3HB ALA 38 3HB ALA 38 13.160 6.031 4.749 254 H THR 39 H THR 39 10.038 7.301 3.502 255 HA THR 39 HA THR 39 11.256 8.017 0.927 256 HB THR 39 HB THR 39 9.971 6.119 -0.082 257 HG1 THR 39 HG1 THR 39 8.589 5.875 1.848 258 1HG2 THR 39 1HG2 THR 39 12.067 5.386 1.967 259 2HG2 THR 39 2HG2 THR 39 12.371 5.923 0.315 260 3HG2 THR 39 3HG2 THR 39 11.572 4.379 0.607 261 H ALA 40 H ALA 40 10.176 9.721 0.215 262 HA ALA 40 HA ALA 40 7.234 9.573 0.179 263 1HB ALA 40 1HB ALA 40 7.124 11.990 0.517 264 2HB ALA 40 2HB ALA 40 8.881 12.059 0.645 265 3HB ALA 40 3HB ALA 40 7.940 11.202 1.867 266 H SER 41 H SER 41 9.577 9.044 -1.698 267 HA SER 41 HA SER 41 9.107 11.000 -3.811 268 1HB SER 41 1HB SER 41 11.051 8.681 -3.787 269 2HB SER 41 2HB SER 41 11.061 10.071 -4.872 270 HG SER 41 HG SER 41 11.206 11.264 -2.688 271 H ASP 42 H ASP 42 7.277 8.668 -2.917 272 HA ASP 42 HA ASP 42 6.623 7.837 -5.638 273 1HB ASP 42 1HB ASP 42 8.054 6.057 -4.388 274 2HB ASP 42 2HB ASP 42 6.598 5.775 -3.442 275 H ASP 43 H ASP 43 4.421 7.172 -5.854 276 HA ASP 43 HA ASP 43 2.700 8.359 -3.790 277 1HB ASP 43 1HB ASP 43 2.438 9.374 -5.966 278 2HB ASP 43 2HB ASP 43 2.230 7.802 -6.727 279 H GLY 44 H GLY 44 3.637 5.393 -5.161 280 1HA GLY 44 1HA GLY 44 2.950 3.240 -4.694 281 2HA GLY 44 2HA GLY 44 1.764 3.902 -3.575 282 H LYS 45 H LYS 45 1.921 4.966 -6.877 283 HA LYS 45 HA LYS 45 -0.744 3.850 -7.310 284 1HB LYS 45 1HB LYS 45 -0.905 5.393 -9.190 285 2HB LYS 45 2HB LYS 45 -0.454 6.248 -7.721 286 1HG LYS 45 1HG LYS 45 1.790 6.489 -8.441 287 2HG LYS 45 2HG LYS 45 1.552 5.361 -9.779 288 1HD LYS 45 1HD LYS 45 -0.077 6.941 -10.764 289 2HD LYS 45 2HD LYS 45 0.284 8.077 -9.464 290 1HE LYS 45 1HE LYS 45 2.571 8.262 -10.192 291 2HE LYS 45 2HE LYS 45 2.328 7.002 -11.401 292 1HZ LYS 45 1HZ LYS 45 0.756 8.427 -12.539 293 2HZ LYS 45 2HZ LYS 45 2.252 9.211 -12.384 294 3HZ LYS 45 3HZ LYS 45 0.961 9.639 -11.370 295 H VAL 46 H VAL 46 2.522 3.353 -8.256 296 HA VAL 46 HA VAL 46 1.726 2.065 -10.748 297 HB VAL 46 HB VAL 46 4.555 2.200 -9.741 298 1HG1 VAL 46 1HG1 VAL 46 4.100 0.764 -11.655 299 2HG1 VAL 46 2HG1 VAL 46 5.062 2.160 -12.142 300 3HG1 VAL 46 3HG1 VAL 46 3.336 2.110 -12.501 301 1HG2 VAL 46 1HG2 VAL 46 4.836 4.307 -10.951 302 2HG2 VAL 46 2HG2 VAL 46 3.681 4.476 -9.628 303 3HG2 VAL 46 3HG2 VAL 46 3.106 4.345 -11.291 304 H ILE 47 H ILE 47 1.789 -0.070 -11.096 305 HA ILE 47 HA ILE 47 1.526 -1.736 -8.787 306 HB ILE 47 HB ILE 47 1.559 -2.570 -11.691 307 1HG1 ILE 47 1HG1 ILE 47 -0.057 -0.761 -11.357 308 2HG1 ILE 47 2HG1 ILE 47 -0.893 -2.286 -11.618 309 1HG2 ILE 47 1HG2 ILE 47 1.736 -4.422 -10.116 310 2HG2 ILE 47 2HG2 ILE 47 0.160 -4.426 -10.912 311 3HG2 ILE 47 3HG2 ILE 47 0.307 -3.842 -9.256 312 1HD1 ILE 47 1HD1 ILE 47 -1.437 -2.463 -9.297 313 2HD1 ILE 47 2HD1 ILE 47 -1.887 -0.848 -9.852 314 3HD1 ILE 47 3HD1 ILE 47 -0.416 -1.075 -8.904 315 H LYS 48 H LYS 48 3.092 -2.826 -7.812 316 HA LYS 48 HA LYS 48 5.608 -3.350 -9.235 317 1HB LYS 48 1HB LYS 48 5.230 -1.698 -7.078 318 2HB LYS 48 2HB LYS 48 5.716 -3.201 -6.305 319 1HG LYS 48 1HG LYS 48 7.812 -3.165 -7.242 320 2HG LYS 48 2HG LYS 48 7.302 -2.153 -8.597 321 1HD LYS 48 1HD LYS 48 7.581 -1.266 -5.725 322 2HD LYS 48 2HD LYS 48 8.702 -0.895 -7.037 323 1HE LYS 48 1HE LYS 48 6.823 0.236 -8.229 324 2HE LYS 48 2HE LYS 48 5.824 -0.017 -6.799 325 1HZ LYS 48 1HZ LYS 48 6.725 2.179 -6.728 326 2HZ LYS 48 2HZ LYS 48 8.303 1.609 -6.981 327 3HZ LYS 48 3HZ LYS 48 7.505 1.265 -5.527 328 H ASP 49 H ASP 49 6.546 -5.355 -8.989 329 HA ASP 49 HA ASP 49 4.629 -7.423 -8.284 330 1HB ASP 49 1HB ASP 49 7.090 -7.331 -10.005 331 2HB ASP 49 2HB ASP 49 6.345 -8.857 -9.571 332 H SER 50 H SER 50 6.012 -9.625 -7.844 333 HA SER 50 HA SER 50 6.894 -9.222 -5.133 334 1HB SER 50 1HB SER 50 5.515 -11.186 -5.896 335 2HB SER 50 2HB SER 50 6.937 -11.788 -6.746 336 HG SER 50 HG SER 50 6.838 -11.246 -3.957 337 H VAL 51 H VAL 51 8.326 -8.993 -7.994 338 HA VAL 51 HA VAL 51 10.965 -10.020 -7.276 339 HB VAL 51 HB VAL 51 10.286 -8.398 -9.714 340 1HG1 VAL 51 1HG1 VAL 51 12.120 -9.705 -10.710 341 2HG1 VAL 51 2HG1 VAL 51 12.393 -10.468 -9.143 342 3HG1 VAL 51 3HG1 VAL 51 12.635 -8.731 -9.331 343 1HG2 VAL 51 1HG2 VAL 51 8.667 -10.182 -9.559 344 2HG2 VAL 51 2HG2 VAL 51 9.961 -11.364 -9.347 345 3HG2 VAL 51 3HG2 VAL 51 9.805 -10.488 -10.871 346 H GLY 52 H GLY 52 9.145 -7.187 -7.140 347 1HA GLY 52 1HA GLY 52 9.767 -5.181 -6.066 348 2HA GLY 52 2HA GLY 52 11.459 -5.603 -6.316 349 H ASN 53 H ASN 53 10.183 -6.353 -9.157 350 HA ASN 53 HA ASN 53 11.055 -3.886 -10.326 351 1HB ASN 53 1HB ASN 53 10.351 -5.046 -12.524 352 2HB ASN 53 2HB ASN 53 11.766 -5.630 -11.664 353 1HD2 ASN 53 1HD2 ASN 53 8.415 -6.355 -10.772 354 2HD2 ASN 53 2HD2 ASN 53 8.516 -8.032 -11.171 355 H VAL 54 H VAL 54 9.951 -2.595 -11.616 356 HA VAL 54 HA VAL 54 7.115 -2.288 -10.864 357 HB VAL 54 HB VAL 54 8.811 -0.104 -12.058 358 1HG1 VAL 54 1HG1 VAL 54 6.423 0.273 -12.057 359 2HG1 VAL 54 2HG1 VAL 54 7.195 1.336 -10.881 360 3HG1 VAL 54 3HG1 VAL 54 6.334 -0.107 -10.335 361 1HG2 VAL 54 1HG2 VAL 54 8.506 -0.763 -9.130 362 2HG2 VAL 54 2HG2 VAL 54 9.279 0.682 -9.787 363 3HG2 VAL 54 3HG2 VAL 54 9.986 -0.907 -10.079 364 H LEU 55 H LEU 55 5.502 -2.083 -12.459 365 HA LEU 55 HA LEU 55 6.409 -3.131 -15.017 366 1HB LEU 55 1HB LEU 55 3.807 -3.177 -13.519 367 2HB LEU 55 2HB LEU 55 3.875 -3.564 -15.226 368 HG LEU 55 HG LEU 55 5.281 -5.480 -14.801 369 1HD1 LEU 55 1HD1 LEU 55 5.877 -6.168 -12.539 370 2HD1 LEU 55 2HD1 LEU 55 5.222 -4.654 -11.909 371 3HD1 LEU 55 3HD1 LEU 55 6.627 -4.630 -12.976 372 1HD2 LEU 55 1HD2 LEU 55 2.943 -5.326 -12.914 373 2HD2 LEU 55 2HD2 LEU 55 3.768 -6.814 -13.378 374 3HD2 LEU 55 3HD2 LEU 55 2.915 -5.859 -14.595 375 H GLN 56 H GLN 56 4.880 -2.545 -16.840 376 HA GLN 56 HA GLN 56 4.247 0.328 -16.816 377 1HB GLN 56 1HB GLN 56 6.327 -0.119 -18.077 378 2HB GLN 56 2HB GLN 56 5.482 -1.307 -19.050 379 1HG GLN 56 1HG GLN 56 5.866 0.837 -20.202 380 2HG GLN 56 2HG GLN 56 4.168 0.383 -20.103 381 1HE2 GLN 56 1HE2 GLN 56 2.773 1.734 -19.176 382 2HE2 GLN 56 2HE2 GLN 56 3.183 3.231 -18.408 383 H ASP 57 H ASP 57 2.356 0.879 -18.038 384 HA ASP 57 HA ASP 57 0.373 -1.107 -18.263 385 1HB ASP 57 1HB ASP 57 -0.092 1.310 -17.915 386 2HB ASP 57 2HB ASP 57 0.510 1.641 -19.536 387 H GLY 58 H GLY 58 -0.151 -2.371 -19.938 388 1HA GLY 58 1HA GLY 58 -0.130 -3.230 -22.102 389 2HA GLY 58 2HA GLY 58 0.937 -1.920 -22.579 390 H ASP 59 H ASP 59 2.429 -3.077 -19.939 391 HA ASP 59 HA ASP 59 4.416 -4.446 -21.447 392 1HB ASP 59 1HB ASP 59 4.411 -3.132 -19.066 393 2HB ASP 59 2HB ASP 59 4.417 -4.803 -18.515 394 H THR 60 H THR 60 5.296 -6.614 -20.413 395 HA THR 60 HA THR 60 3.030 -8.481 -20.379 396 HB THR 60 HB THR 60 5.924 -9.114 -20.996 397 HG1 THR 60 HG1 THR 60 5.144 -7.776 -22.640 398 1HG2 THR 60 1HG2 THR 60 4.588 -11.024 -20.239 399 2HG2 THR 60 2HG2 THR 60 5.011 -11.179 -21.944 400 3HG2 THR 60 3HG2 THR 60 3.385 -10.677 -21.483 401 H ILE 61 H ILE 61 2.822 -9.915 -18.685 402 HA ILE 61 HA ILE 61 4.844 -9.662 -16.555 403 HB ILE 61 HB ILE 61 3.148 -9.844 -14.863 404 1HG1 ILE 61 1HG1 ILE 61 0.661 -9.643 -15.827 405 2HG1 ILE 61 2HG1 ILE 61 1.375 -10.519 -17.172 406 1HG2 ILE 61 1HG2 ILE 61 2.330 -7.810 -16.931 407 2HG2 ILE 61 2HG2 ILE 61 3.563 -7.618 -15.682 408 3HG2 ILE 61 3HG2 ILE 61 1.872 -7.798 -15.226 409 1HD1 ILE 61 1HD1 ILE 61 2.095 -12.274 -15.626 410 2HD1 ILE 61 2HD1 ILE 61 0.345 -12.047 -15.616 411 3HD1 ILE 61 3HD1 ILE 61 1.327 -11.403 -14.299 412 H THR 62 H THR 62 4.894 -11.590 -15.093 413 HA THR 62 HA THR 62 3.756 -14.028 -16.179 414 HB THR 62 HB THR 62 6.665 -13.368 -16.083 415 HG1 THR 62 HG1 THR 62 5.029 -13.619 -17.988 416 1HG2 THR 62 1HG2 THR 62 5.529 -16.148 -15.803 417 2HG2 THR 62 2HG2 THR 62 6.583 -15.305 -14.659 418 3HG2 THR 62 3HG2 THR 62 7.203 -15.788 -16.238 419 H VAL 63 H VAL 63 2.752 -14.859 -14.475 420 HA VAL 63 HA VAL 63 3.285 -14.267 -11.786 421 HB VAL 63 HB VAL 63 1.175 -15.371 -12.963 422 1HG1 VAL 63 1HG1 VAL 63 2.688 -17.736 -11.921 423 2HG1 VAL 63 2HG1 VAL 63 2.194 -17.434 -13.589 424 3HG1 VAL 63 3HG1 VAL 63 0.975 -17.743 -12.350 425 1HG2 VAL 63 1HG2 VAL 63 2.001 -15.982 -10.129 426 2HG2 VAL 63 2HG2 VAL 63 0.355 -16.055 -10.760 427 3HG2 VAL 63 3HG2 VAL 63 1.205 -14.511 -10.690 428 H ILE 64 H ILE 64 4.908 -14.935 -10.519 429 HA ILE 64 HA ILE 64 6.475 -17.192 -11.384 430 HB ILE 64 HB ILE 64 8.166 -16.501 -9.843 431 1HG1 ILE 64 1HG1 ILE 64 6.361 -15.755 -8.084 432 2HG1 ILE 64 2HG1 ILE 64 7.943 -14.991 -8.096 433 1HG2 ILE 64 1HG2 ILE 64 6.947 -14.130 -11.234 434 2HG2 ILE 64 2HG2 ILE 64 8.073 -15.297 -11.929 435 3HG2 ILE 64 3HG2 ILE 64 8.604 -14.217 -10.637 436 1HD1 ILE 64 1HD1 ILE 64 5.367 -13.900 -9.168 437 2HD1 ILE 64 2HD1 ILE 64 6.941 -13.149 -9.430 438 3HD1 ILE 64 3HD1 ILE 64 6.305 -13.317 -7.793 439 H LYS 65 H LYS 65 3.707 -17.445 -9.830 440 HA LYS 65 HA LYS 65 4.744 -19.372 -7.947 441 1HB LYS 65 1HB LYS 65 3.263 -16.915 -7.268 442 2HB LYS 65 2HB LYS 65 2.548 -18.383 -6.622 443 1HG LYS 65 1HG LYS 65 3.962 -17.559 -4.944 444 2HG LYS 65 2HG LYS 65 4.816 -18.922 -5.664 445 1HD LYS 65 1HD LYS 65 6.135 -17.347 -7.018 446 2HD LYS 65 2HD LYS 65 5.303 -16.002 -6.237 447 1HE LYS 65 1HE LYS 65 6.990 -18.073 -4.834 448 2HE LYS 65 2HE LYS 65 7.509 -16.440 -5.241 449 1HZ LYS 65 1HZ LYS 65 6.810 -16.582 -2.945 450 2HZ LYS 65 2HZ LYS 65 5.279 -17.146 -3.406 451 3HZ LYS 65 3HZ LYS 65 5.761 -15.569 -3.809 452 H ASP 66 H ASP 66 3.141 -20.980 -7.470 453 HA ASP 66 HA ASP 66 1.162 -21.337 -9.528 454 1HB ASP 66 1HB ASP 66 2.463 -23.236 -8.675 455 2HB ASP 66 2HB ASP 66 1.709 -23.039 -7.103 456 H LEU 67 H LEU 67 -0.682 -20.408 -9.488 457 HA LEU 67 HA LEU 67 -2.345 -20.427 -7.055 458 1HB LEU 67 1HB LEU 67 -2.326 -18.290 -9.206 459 2HB LEU 67 2HB LEU 67 -3.454 -18.368 -7.873 460 HG LEU 67 HG LEU 67 -1.352 -18.137 -6.370 461 1HD1 LEU 67 1HD1 LEU 67 0.478 -16.892 -7.390 462 2HD1 LEU 67 2HD1 LEU 67 -0.279 -17.065 -8.973 463 3HD1 LEU 67 3HD1 LEU 67 0.311 -18.490 -8.117 464 1HD2 LEU 67 1HD2 LEU 67 -2.338 -15.849 -8.071 465 2HD2 LEU 67 2HD2 LEU 67 -1.490 -15.697 -6.533 466 3HD2 LEU 67 3HD2 LEU 67 -3.086 -16.444 -6.589 467 H LYS 68 H LYS 68 -4.493 -21.109 -7.428 468 HA LYS 68 HA LYS 68 -5.072 -22.103 -10.102 469 1HB LYS 68 1HB LYS 68 -6.852 -23.316 -9.197 470 2HB LYS 68 2HB LYS 68 -5.592 -23.387 -7.973 471 1HG LYS 68 1HG LYS 68 -6.686 -21.776 -6.615 472 2HG LYS 68 2HG LYS 68 -7.834 -21.388 -7.898 473 1HD LYS 68 1HD LYS 68 -7.610 -24.043 -6.496 474 2HD LYS 68 2HD LYS 68 -8.821 -22.806 -6.157 475 1HE LYS 68 1HE LYS 68 -9.697 -23.014 -8.414 476 2HE LYS 68 2HE LYS 68 -8.453 -24.201 -8.805 477 1HZ LYS 68 1HZ LYS 68 -10.646 -25.175 -8.246 478 2HZ LYS 68 2HZ LYS 68 -10.483 -24.570 -6.671 479 3HZ LYS 68 3HZ LYS 68 -9.387 -25.728 -7.254 480 H VAL 69 H VAL 69 -7.661 -21.831 -10.599 481 HA VAL 69 HA VAL 69 -8.385 -19.032 -10.190 482 HB VAL 69 HB VAL 69 -8.722 -20.402 -12.880 483 1HG1 VAL 69 1HG1 VAL 69 -10.418 -18.741 -12.381 484 2HG1 VAL 69 2HG1 VAL 69 -9.342 -18.153 -13.649 485 3HG1 VAL 69 3HG1 VAL 69 -9.172 -17.553 -11.999 486 1HG2 VAL 69 1HG2 VAL 69 -7.004 -18.915 -13.755 487 2HG2 VAL 69 2HG2 VAL 69 -6.344 -19.952 -12.490 488 3HG2 VAL 69 3HG2 VAL 69 -6.723 -18.265 -12.139 489 H LYS 70 H LYS 70 -10.468 -18.880 -9.601 490 HA LYS 70 HA LYS 70 -11.832 -21.416 -9.191 491 1HB LYS 70 1HB LYS 70 -11.344 -19.407 -7.506 492 2HB LYS 70 2HB LYS 70 -12.886 -18.849 -8.137 493 1HG LYS 70 1HG LYS 70 -14.037 -20.673 -7.282 494 2HG LYS 70 2HG LYS 70 -12.563 -21.629 -7.089 495 1HD LYS 70 1HD LYS 70 -13.175 -20.908 -4.915 496 2HD LYS 70 2HD LYS 70 -11.804 -19.912 -5.424 497 1HE LYS 70 1HE LYS 70 -13.336 -18.116 -6.047 498 2HE LYS 70 2HE LYS 70 -14.709 -19.105 -5.552 499 1HZ LYS 70 1HZ LYS 70 -14.078 -17.503 -3.852 500 2HZ LYS 70 2HZ LYS 70 -12.526 -18.180 -3.760 501 3HZ LYS 70 3HZ LYS 70 -13.880 -19.091 -3.295 502 H GLY 71 H GLY 71 -13.760 -21.943 -10.091 503 1HA GLY 71 1HA GLY 71 -15.762 -21.670 -11.238 504 2HA GLY 71 2HA GLY 71 -15.433 -19.947 -11.352 505 H SER 72 H SER 72 -12.746 -20.506 -12.485 506 HA SER 72 HA SER 72 -13.616 -21.047 -15.232 507 1HB SER 72 1HB SER 72 -11.235 -19.520 -14.153 508 2HB SER 72 2HB SER 72 -11.539 -19.801 -15.865 509 HG SER 72 HG SER 72 -13.655 -18.710 -14.437 510 H SER 73 H SER 73 -12.228 -22.301 -16.611 511 HA SER 73 HA SER 73 -10.932 -24.475 -15.200 512 1HB SER 73 1HB SER 73 -11.308 -23.994 -18.167 513 2HB SER 73 2HB SER 73 -10.715 -25.486 -17.438 514 HG SER 73 HG SER 73 -13.033 -24.762 -16.267 515 H LEU 74 H LEU 74 -9.914 -21.553 -15.666 516 HA LEU 74 HA LEU 74 -7.367 -21.948 -16.901 517 1HB LEU 74 1HB LEU 74 -8.599 -19.689 -15.347 518 2HB LEU 74 2HB LEU 74 -6.925 -19.653 -15.843 519 HG LEU 74 HG LEU 74 -8.217 -18.380 -17.406 520 1HD1 LEU 74 1HD1 LEU 74 -7.732 -19.543 -19.502 521 2HD1 LEU 74 2HD1 LEU 74 -7.443 -21.031 -18.598 522 3HD1 LEU 74 3HD1 LEU 74 -6.389 -19.637 -18.362 523 1HD2 LEU 74 1HD2 LEU 74 -10.024 -19.361 -18.727 524 2HD2 LEU 74 2HD2 LEU 74 -10.403 -19.359 -17.005 525 3HD2 LEU 74 3HD2 LEU 74 -9.892 -20.851 -17.794 526 H VAL 75 H VAL 75 -5.420 -20.998 -15.386 527 HA VAL 75 HA VAL 75 -5.245 -22.175 -12.870 528 HB VAL 75 HB VAL 75 -3.917 -23.722 -15.110 529 1HG1 VAL 75 1HG1 VAL 75 -3.613 -23.995 -12.122 530 2HG1 VAL 75 2HG1 VAL 75 -2.387 -23.406 -13.247 531 3HG1 VAL 75 3HG1 VAL 75 -2.919 -25.086 -13.324 532 1HG2 VAL 75 1HG2 VAL 75 -6.237 -24.391 -14.747 533 2HG2 VAL 75 2HG2 VAL 75 -5.911 -24.616 -13.026 534 3HG2 VAL 75 3HG2 VAL 75 -5.129 -25.659 -14.218 535 H VAL 76 H VAL 76 -3.806 -20.787 -11.980 536 HA VAL 76 HA VAL 76 -2.072 -19.313 -13.806 537 HB VAL 76 HB VAL 76 -2.725 -18.810 -10.897 538 1HG1 VAL 76 1HG1 VAL 76 -1.614 -16.664 -11.203 539 2HG1 VAL 76 2HG1 VAL 76 -1.147 -17.141 -12.837 540 3HG1 VAL 76 3HG1 VAL 76 -0.501 -18.011 -11.446 541 1HG2 VAL 76 1HG2 VAL 76 -3.612 -17.407 -13.411 542 2HG2 VAL 76 2HG2 VAL 76 -3.995 -16.904 -11.764 543 3HG2 VAL 76 3HG2 VAL 76 -4.612 -18.435 -12.386 544 H LYS 77 H LYS 77 -0.343 -20.562 -14.222 545 HA LYS 77 HA LYS 77 1.088 -21.699 -11.921 546 1HB LYS 77 1HB LYS 77 2.171 -23.236 -13.615 547 2HB LYS 77 2HB LYS 77 0.470 -23.501 -13.282 548 1HG LYS 77 1HG LYS 77 0.672 -23.741 -15.590 549 2HG LYS 77 2HG LYS 77 0.010 -22.122 -15.371 550 1HD LYS 77 1HD LYS 77 2.110 -21.110 -15.807 551 2HD LYS 77 2HD LYS 77 2.949 -22.657 -15.705 552 1HE LYS 77 1HE LYS 77 0.901 -21.937 -17.799 553 2HE LYS 77 2HE LYS 77 2.646 -21.844 -18.030 554 1HZ LYS 77 1HZ LYS 77 2.800 -24.218 -17.655 555 2HZ LYS 77 2HZ LYS 77 1.726 -23.897 -18.924 556 3HZ LYS 77 3HZ LYS 77 1.125 -24.324 -17.396 557 H VAL 78 H VAL 78 3.258 -21.485 -11.684 558 HA VAL 78 HA VAL 78 4.426 -19.053 -12.215 559 HB VAL 78 HB VAL 78 5.408 -20.411 -10.543 560 1HG1 VAL 78 1HG1 VAL 78 6.084 -22.413 -12.694 561 2HG1 VAL 78 2HG1 VAL 78 4.874 -22.608 -11.426 562 3HG1 VAL 78 3HG1 VAL 78 6.584 -22.516 -11.005 563 1HG2 VAL 78 1HG2 VAL 78 7.795 -20.407 -11.138 564 2HG2 VAL 78 2HG2 VAL 78 6.979 -18.919 -11.621 565 3HG2 VAL 78 3HG2 VAL 78 7.357 -20.149 -12.827 566 H GLY 79 H GLY 79 4.282 -18.292 -14.237 567 1HA GLY 79 1HA GLY 79 6.031 -18.076 -16.119 568 2HA GLY 79 2HA GLY 79 5.614 -19.760 -16.419 569 H THR 80 H THR 80 3.004 -18.210 -15.273 570 HA THR 80 HA THR 80 1.498 -18.284 -17.670 571 HB THR 80 HB THR 80 0.837 -16.712 -15.170 572 HG1 THR 80 HG1 THR 80 1.064 -19.033 -14.906 573 1HG2 THR 80 1HG2 THR 80 -0.434 -15.943 -17.115 574 2HG2 THR 80 2HG2 THR 80 -1.477 -16.812 -15.988 575 3HG2 THR 80 3HG2 THR 80 -0.918 -17.603 -17.463 576 H LYS 81 H LYS 81 2.072 -17.135 -19.320 577 HA LYS 81 HA LYS 81 3.148 -14.449 -18.919 578 1HB LYS 81 1HB LYS 81 4.391 -15.951 -20.413 579 2HB LYS 81 2HB LYS 81 2.997 -16.049 -21.485 580 1HG LYS 81 1HG LYS 81 3.145 -13.621 -21.857 581 2HG LYS 81 2HG LYS 81 4.585 -13.572 -20.843 582 1HD LYS 81 1HD LYS 81 5.243 -13.595 -23.154 583 2HD LYS 81 2HD LYS 81 5.688 -15.134 -22.416 584 1HE LYS 81 1HE LYS 81 3.811 -16.228 -23.431 585 2HE LYS 81 2HE LYS 81 3.174 -14.692 -24.019 586 1HZ LYS 81 1HZ LYS 81 4.296 -15.908 -25.775 587 2HZ LYS 81 2HZ LYS 81 5.732 -15.946 -24.871 588 3HZ LYS 81 3HZ LYS 81 5.121 -14.466 -25.432 589 H VAL 82 H VAL 82 1.825 -12.805 -18.892 590 HA VAL 82 HA VAL 82 -0.269 -12.676 -20.956 591 HB VAL 82 HB VAL 82 -0.630 -11.646 -18.134 592 1HG1 VAL 82 1HG1 VAL 82 -2.423 -11.730 -20.546 593 2HG1 VAL 82 2HG1 VAL 82 -1.873 -10.315 -19.643 594 3HG1 VAL 82 3HG1 VAL 82 -3.014 -11.446 -18.911 595 1HG2 VAL 82 1HG2 VAL 82 -2.284 -13.445 -17.867 596 2HG2 VAL 82 2HG2 VAL 82 -0.658 -14.077 -18.124 597 3HG2 VAL 82 3HG2 VAL 82 -1.827 -14.087 -19.444 598 H LYS 83 H LYS 83 0.025 -10.998 -22.221 599 HA LYS 83 HA LYS 83 1.592 -8.744 -21.225 600 1HB LYS 83 1HB LYS 83 2.015 -8.225 -23.625 601 2HB LYS 83 2HB LYS 83 2.669 -9.767 -23.081 602 1HG LYS 83 1HG LYS 83 0.793 -10.930 -24.122 603 2HG LYS 83 2HG LYS 83 0.130 -9.382 -24.658 604 1HD LYS 83 1HD LYS 83 2.114 -8.974 -26.000 605 2HD LYS 83 2HD LYS 83 2.837 -10.475 -25.419 606 1HE LYS 83 1HE LYS 83 1.091 -11.766 -26.484 607 2HE LYS 83 2HE LYS 83 0.274 -10.289 -26.996 608 1HZ LYS 83 1HZ LYS 83 3.001 -11.111 -27.853 609 2HZ LYS 83 2HZ LYS 83 2.145 -9.748 -28.395 610 3HZ LYS 83 3HZ LYS 83 1.590 -11.306 -28.777 611 H ASN 84 H ASN 84 1.219 -6.704 -22.123 612 HA ASN 84 HA ASN 84 0.051 -4.884 -22.862 613 1HB ASN 84 1HB ASN 84 -0.905 -6.880 -24.440 614 2HB ASN 84 2HB ASN 84 -2.384 -6.354 -23.640 615 1HD2 ASN 84 1HD2 ASN 84 0.320 -5.355 -25.576 616 2HD2 ASN 84 2HD2 ASN 84 -0.425 -3.955 -26.254 617 H ILE 85 H ILE 85 -0.128 -5.781 -20.095 618 HA ILE 85 HA ILE 85 -2.743 -5.837 -19.142 619 HB ILE 85 HB ILE 85 -1.667 -5.394 -16.969 620 1HG1 ILE 85 1HG1 ILE 85 0.912 -5.119 -18.526 621 2HG1 ILE 85 2HG1 ILE 85 -0.014 -3.734 -17.960 622 1HG2 ILE 85 1HG2 ILE 85 -0.187 -7.348 -16.949 623 2HG2 ILE 85 2HG2 ILE 85 -0.130 -7.324 -18.712 624 3HG2 ILE 85 3HG2 ILE 85 -1.650 -7.663 -17.884 625 1HD1 ILE 85 1HD1 ILE 85 0.294 -4.484 -15.654 626 2HD1 ILE 85 2HD1 ILE 85 1.834 -4.215 -16.472 627 3HD1 ILE 85 3HD1 ILE 85 1.236 -5.859 -16.232 628 H ARG 86 H ARG 86 -3.242 -4.216 -17.292 629 HA ARG 86 HA ARG 86 -2.803 -1.422 -18.104 630 1HB ARG 86 1HB ARG 86 -5.070 -2.023 -18.769 631 2HB ARG 86 2HB ARG 86 -5.398 -2.695 -17.201 632 1HG ARG 86 1HG ARG 86 -4.642 0.150 -17.312 633 2HG ARG 86 2HG ARG 86 -6.236 -0.297 -17.901 634 1HD ARG 86 1HD ARG 86 -5.134 -0.947 -15.174 635 2HD ARG 86 2HD ARG 86 -6.208 0.402 -15.532 636 HE ARG 86 HE ARG 86 -7.111 -2.308 -16.173 637 1HH1 ARG 86 1HH1 ARG 86 -7.428 0.596 -14.220 638 2HH1 ARG 86 2HH1 ARG 86 -8.891 0.052 -13.450 639 1HH2 ARG 86 1HH2 ARG 86 -9.015 -3.024 -15.142 640 2HH2 ARG 86 2HH2 ARG 86 -9.789 -1.990 -13.962 641 H LEU 87 H LEU 87 -2.050 -0.167 -16.435 642 HA LEU 87 HA LEU 87 -1.590 -1.346 -13.881 643 1HB LEU 87 1HB LEU 87 -1.345 1.514 -14.828 644 2HB LEU 87 2HB LEU 87 -0.828 0.947 -13.252 645 HG LEU 87 HG LEU 87 0.304 -0.030 -15.873 646 1HD1 LEU 87 1HD1 LEU 87 1.438 1.920 -13.877 647 2HD1 LEU 87 2HD1 LEU 87 0.840 2.317 -15.488 648 3HD1 LEU 87 3HD1 LEU 87 2.268 1.298 -15.303 649 1HD2 LEU 87 1HD2 LEU 87 1.188 -0.472 -13.027 650 2HD2 LEU 87 2HD2 LEU 87 2.050 -1.010 -14.469 651 3HD2 LEU 87 3HD2 LEU 87 0.461 -1.677 -14.090 652 H VAL 88 H VAL 88 -3.154 -1.690 -12.479 653 HA VAL 88 HA VAL 88 -5.688 -0.406 -12.717 654 HB VAL 88 HB VAL 88 -4.996 -2.043 -10.319 655 1HG1 VAL 88 1HG1 VAL 88 -7.357 -2.007 -12.189 656 2HG1 VAL 88 2HG1 VAL 88 -7.265 -1.237 -10.602 657 3HG1 VAL 88 3HG1 VAL 88 -7.208 -2.996 -10.734 658 1HG2 VAL 88 1HG2 VAL 88 -5.146 -3.131 -13.121 659 2HG2 VAL 88 2HG2 VAL 88 -5.345 -4.116 -11.663 660 3HG2 VAL 88 3HG2 VAL 88 -3.820 -3.287 -11.959 661 H ASP 89 H ASP 89 -6.718 0.963 -11.289 662 HA ASP 89 HA ASP 89 -5.095 2.559 -9.527 663 1HB ASP 89 1HB ASP 89 -8.109 2.508 -9.863 664 2HB ASP 89 2HB ASP 89 -7.191 3.737 -9.000 665 H GLY 90 H GLY 90 -7.071 -0.235 -9.360 666 1HA GLY 90 1HA GLY 90 -7.491 -0.473 -6.606 667 2HA GLY 90 2HA GLY 90 -7.256 -1.823 -7.714 668 H ASP 91 H ASP 91 -6.265 -1.206 -4.955 669 HA ASP 91 HA ASP 91 -4.020 -0.052 -4.405 670 1HB ASP 91 1HB ASP 91 -4.523 -2.920 -3.613 671 2HB ASP 91 2HB ASP 91 -3.385 -1.834 -2.822 672 H HIS 92 H HIS 92 -3.364 -3.475 -5.010 673 HA HIS 92 HA HIS 92 -0.800 -2.595 -6.144 674 1HB HIS 92 1HB HIS 92 -1.520 -5.001 -4.491 675 2HB HIS 92 2HB HIS 92 -0.021 -4.917 -5.404 676 HD1 HIS 92 HD1 HIS 92 0.420 -5.242 -2.537 677 HD2 HIS 92 HD2 HIS 92 -0.228 -1.479 -4.205 678 HE1 HIS 92 HE1 HIS 92 1.409 -3.590 -0.912 679 HE2 HIS 92 HE2 HIS 92 1.169 -1.341 -2.031 680 H ASP 93 H ASP 93 -3.600 -3.723 -7.598 681 HA ASP 93 HA ASP 93 -2.592 -6.256 -8.432 682 1HB ASP 93 1HB ASP 93 -5.171 -4.827 -8.893 683 2HB ASP 93 2HB ASP 93 -4.844 -6.483 -9.378 684 H ILE 94 H ILE 94 -3.903 -6.601 -10.776 685 HA ILE 94 HA ILE 94 -2.530 -4.919 -12.708 686 HB ILE 94 HB ILE 94 -2.114 -7.904 -12.597 687 1HG1 ILE 94 1HG1 ILE 94 -0.126 -5.663 -12.184 688 2HG1 ILE 94 2HG1 ILE 94 -0.801 -6.665 -10.904 689 1HG2 ILE 94 1HG2 ILE 94 -0.608 -7.552 -14.500 690 2HG2 ILE 94 2HG2 ILE 94 -1.050 -5.845 -14.526 691 3HG2 ILE 94 3HG2 ILE 94 -2.264 -7.075 -14.875 692 1HD1 ILE 94 1HD1 ILE 94 0.904 -7.617 -13.181 693 2HD1 ILE 94 2HD1 ILE 94 0.210 -8.629 -11.914 694 3HD1 ILE 94 3HD1 ILE 94 1.412 -7.403 -11.505 695 H ASP 95 H ASP 95 -3.948 -4.512 -14.275 696 HA ASP 95 HA ASP 95 -6.148 -6.343 -14.688 697 1HB ASP 95 1HB ASP 95 -6.403 -3.826 -14.683 698 2HB ASP 95 2HB ASP 95 -5.437 -3.803 -16.132 699 H CYS 96 H CYS 96 -6.186 -7.816 -16.283 700 HA CYS 96 HA CYS 96 -4.221 -7.536 -18.429 701 1HB CYS 96 1HB CYS 96 -3.661 -9.957 -18.194 702 2HB CYS 96 2HB CYS 96 -3.131 -8.969 -16.841 703 HG CYS 96 HG CYS 96 -5.667 -9.739 -15.474 704 H LYS 97 H LYS 97 -4.806 -8.356 -20.359 705 HA LYS 97 HA LYS 97 -7.613 -9.125 -20.625 706 1HB LYS 97 1HB LYS 97 -7.260 -8.533 -23.040 707 2HB LYS 97 2HB LYS 97 -7.037 -7.192 -21.927 708 1HG LYS 97 1HG LYS 97 -4.534 -7.814 -22.039 709 2HG LYS 97 2HG LYS 97 -4.987 -8.702 -23.493 710 1HD LYS 97 1HD LYS 97 -4.216 -6.470 -24.068 711 2HD LYS 97 2HD LYS 97 -5.934 -6.638 -24.438 712 1HE LYS 97 1HE LYS 97 -6.561 -5.387 -22.527 713 2HE LYS 97 2HE LYS 97 -4.933 -5.463 -21.855 714 1HZ LYS 97 1HZ LYS 97 -5.472 -3.298 -22.842 715 2HZ LYS 97 2HZ LYS 97 -5.657 -4.036 -24.358 716 3HZ LYS 97 3HZ LYS 97 -4.144 -4.036 -23.593 717 H ILE 98 H ILE 98 -8.047 -11.209 -20.864 718 HA ILE 98 HA ILE 98 -5.892 -12.941 -21.885 719 HB ILE 98 HB ILE 98 -7.976 -13.642 -19.813 720 1HG1 ILE 98 1HG1 ILE 98 -5.010 -13.354 -19.370 721 2HG1 ILE 98 2HG1 ILE 98 -6.104 -11.986 -19.198 722 1HG2 ILE 98 1HG2 ILE 98 -5.597 -15.191 -20.836 723 2HG2 ILE 98 2HG2 ILE 98 -7.292 -15.560 -21.151 724 3HG2 ILE 98 3HG2 ILE 98 -6.652 -15.688 -19.513 725 1HD1 ILE 98 1HD1 ILE 98 -7.325 -13.160 -17.473 726 2HD1 ILE 98 2HD1 ILE 98 -5.614 -13.022 -17.065 727 3HD1 ILE 98 3HD1 ILE 98 -6.260 -14.555 -17.653 728 H ASP 99 H ASP 99 -6.448 -13.371 -23.897 729 HA ASP 99 HA ASP 99 -8.875 -13.318 -25.129 730 1HB ASP 99 1HB ASP 99 -6.638 -15.256 -25.744 731 2HB ASP 99 2HB ASP 99 -7.923 -14.779 -26.849 732 H GLY 100 H GLY 100 -10.651 -14.492 -25.194 733 1HA GLY 100 1HA GLY 100 -11.740 -16.655 -25.267 734 2HA GLY 100 2HA GLY 100 -10.578 -17.222 -24.075 735 H ILE 101 H ILE 101 -10.649 -16.077 -21.942 736 HA ILE 101 HA ILE 101 -13.391 -16.105 -21.057 737 HB ILE 101 HB ILE 101 -12.434 -15.779 -18.777 738 1HG1 ILE 101 1HG1 ILE 101 -9.764 -16.040 -20.183 739 2HG1 ILE 101 2HG1 ILE 101 -10.389 -14.543 -19.498 740 1HG2 ILE 101 1HG2 ILE 101 -11.435 -18.010 -18.644 741 2HG2 ILE 101 2HG2 ILE 101 -11.270 -18.038 -20.399 742 3HG2 ILE 101 3HG2 ILE 101 -12.874 -17.999 -19.665 743 1HD1 ILE 101 1HD1 ILE 101 -9.752 -17.056 -17.966 744 2HD1 ILE 101 2HD1 ILE 101 -10.378 -15.558 -17.278 745 3HD1 ILE 101 3HD1 ILE 101 -8.777 -15.587 -18.016 746 H GLY 102 H GLY 102 -10.745 -13.723 -21.081 747 1HA GLY 102 1HA GLY 102 -11.694 -11.470 -21.867 748 2HA GLY 102 2HA GLY 102 -12.715 -11.638 -20.441 749 H ALA 103 H ALA 103 -11.871 -9.879 -19.332 750 HA ALA 103 HA ALA 103 -9.000 -9.742 -18.903 751 1HB ALA 103 1HB ALA 103 -10.247 -7.685 -19.358 752 2HB ALA 103 2HB ALA 103 -9.473 -7.635 -17.773 753 3HB ALA 103 3HB ALA 103 -11.205 -7.944 -17.901 754 H MET 104 H MET 104 -8.080 -9.632 -16.784 755 HA MET 104 HA MET 104 -9.686 -10.538 -14.542 756 1HB MET 104 1HB MET 104 -8.937 -12.634 -15.657 757 2HB MET 104 2HB MET 104 -7.268 -12.133 -15.424 758 1HG MET 104 1HG MET 104 -7.402 -12.375 -13.100 759 2HG MET 104 2HG MET 104 -9.163 -12.428 -13.118 760 1HE MET 104 1HE MET 104 -6.398 -15.856 -14.527 761 2HE MET 104 2HE MET 104 -5.827 -14.362 -13.784 762 3HE MET 104 3HE MET 104 -6.538 -14.328 -15.398 763 H LYS 105 H LYS 105 -8.336 -10.572 -12.501 764 HA LYS 105 HA LYS 105 -6.344 -8.410 -12.627 765 1HB LYS 105 1HB LYS 105 -8.376 -8.959 -10.459 766 2HB LYS 105 2HB LYS 105 -7.197 -7.649 -10.463 767 1HG LYS 105 1HG LYS 105 -8.259 -6.533 -12.211 768 2HG LYS 105 2HG LYS 105 -9.178 -7.964 -12.683 769 1HD LYS 105 1HD LYS 105 -10.489 -7.827 -10.662 770 2HD LYS 105 2HD LYS 105 -9.532 -6.450 -10.109 771 1HE LYS 105 1HE LYS 105 -10.257 -5.278 -12.239 772 2HE LYS 105 2HE LYS 105 -11.414 -6.590 -12.451 773 1HZ LYS 105 1HZ LYS 105 -11.298 -4.647 -10.210 774 2HZ LYS 105 2HZ LYS 105 -12.314 -6.004 -10.224 775 3HZ LYS 105 3HZ LYS 105 -12.514 -4.786 -11.384 776 H LEU 106 H LEU 106 -4.415 -8.988 -11.985 777 HA LEU 106 HA LEU 106 -4.069 -11.489 -10.483 778 1HB LEU 106 1HB LEU 106 -2.027 -9.981 -12.109 779 2HB LEU 106 2HB LEU 106 -1.898 -11.618 -11.493 780 HG LEU 106 HG LEU 106 -3.955 -10.803 -13.535 781 1HD1 LEU 106 1HD1 LEU 106 -1.734 -10.345 -14.417 782 2HD1 LEU 106 2HD1 LEU 106 -2.464 -11.738 -15.220 783 3HD1 LEU 106 3HD1 LEU 106 -1.221 -11.980 -13.992 784 1HD2 LEU 106 1HD2 LEU 106 -4.034 -13.202 -13.987 785 2HD2 LEU 106 2HD2 LEU 106 -4.436 -12.855 -12.307 786 3HD2 LEU 106 3HD2 LEU 106 -2.842 -13.487 -12.718 787 H LYS 107 H LYS 107 -2.570 -11.593 -8.860 788 HA LYS 107 HA LYS 107 -2.088 -9.151 -7.398 789 1HB LYS 107 1HB LYS 107 -2.493 -11.704 -6.543 790 2HB LYS 107 2HB LYS 107 -0.739 -11.583 -6.439 791 1HG LYS 107 1HG LYS 107 -1.766 -10.956 -4.330 792 2HG LYS 107 2HG LYS 107 -0.961 -9.564 -5.068 793 1HD LYS 107 1HD LYS 107 -3.274 -9.080 -6.112 794 2HD LYS 107 2HD LYS 107 -3.889 -10.166 -4.867 795 1HE LYS 107 1HE LYS 107 -2.975 -8.751 -3.133 796 2HE LYS 107 2HE LYS 107 -2.229 -7.706 -4.344 797 1HZ LYS 107 1HZ LYS 107 -4.507 -7.267 -5.203 798 2HZ LYS 107 2HZ LYS 107 -4.237 -6.678 -3.632 799 3HZ LYS 107 3HZ LYS 107 -5.131 -8.102 -3.862 800 H SER 108 H SER 108 -0.464 -7.877 -7.959 801 HA SER 108 HA SER 108 1.675 -8.497 -9.587 802 1HB SER 108 1HB SER 108 2.728 -6.464 -8.709 803 2HB SER 108 2HB SER 108 1.009 -6.200 -8.998 804 HG SER 108 HG SER 108 2.342 -5.834 -6.763 805 H GLU 109 H GLU 109 1.364 -8.613 -6.109 806 HA GLU 109 HA GLU 109 3.952 -9.350 -5.437 807 1HB GLU 109 1HB GLU 109 1.364 -9.979 -4.009 808 2HB GLU 109 2HB GLU 109 2.972 -9.968 -3.287 809 1HG GLU 109 1HG GLU 109 3.191 -7.613 -3.700 810 2HG GLU 109 2HG GLU 109 1.664 -7.580 -4.566 811 H PHE 110 H PHE 110 1.725 -11.200 -7.187 812 HA PHE 110 HA PHE 110 3.299 -13.597 -6.520 813 1HB PHE 110 1HB PHE 110 0.478 -13.262 -7.463 814 2HB PHE 110 2HB PHE 110 1.333 -14.768 -7.753 815 HD1 PHE 110 HD1 PHE 110 2.588 -15.685 -5.577 816 HD2 PHE 110 HD2 PHE 110 -0.819 -13.143 -5.581 817 HE1 PHE 110 HE1 PHE 110 2.012 -16.460 -3.313 818 HE2 PHE 110 HE2 PHE 110 -1.402 -13.905 -3.320 819 HZ PHE 110 HZ PHE 110 0.014 -15.568 -2.180 820 H VAL 111 H VAL 111 3.284 -11.200 -8.760 821 HA VAL 111 HA VAL 111 3.994 -13.076 -10.919 822 HB VAL 111 HB VAL 111 3.234 -11.489 -12.596 823 1HG1 VAL 111 1HG1 VAL 111 1.118 -11.941 -10.491 824 2HG1 VAL 111 2HG1 VAL 111 1.595 -13.091 -11.741 825 3HG1 VAL 111 3HG1 VAL 111 0.829 -11.568 -12.192 826 1HG2 VAL 111 1HG2 VAL 111 2.555 -9.781 -10.233 827 2HG2 VAL 111 2HG2 VAL 111 1.973 -9.480 -11.869 828 3HG2 VAL 111 3HG2 VAL 111 3.702 -9.427 -11.522 829 H ARG 112 H ARG 112 5.208 -11.804 -12.709 830 HA ARG 112 HA ARG 112 7.186 -9.972 -11.618 831 1HB ARG 112 1HB ARG 112 8.459 -11.861 -11.284 832 2HB ARG 112 2HB ARG 112 7.722 -12.730 -12.624 833 1HG ARG 112 1HG ARG 112 9.071 -11.716 -14.198 834 2HG ARG 112 2HG ARG 112 9.446 -10.350 -13.148 835 1HD ARG 112 1HD ARG 112 10.771 -11.826 -11.724 836 2HD ARG 112 2HD ARG 112 10.393 -13.173 -12.772 837 HE ARG 112 HE ARG 112 11.522 -11.726 -14.562 838 1HH1 ARG 112 1HH1 ARG 112 12.506 -11.914 -11.198 839 2HH1 ARG 112 2HH1 ARG 112 14.123 -11.341 -11.515 840 1HH2 ARG 112 1HH2 ARG 112 13.647 -11.018 -14.977 841 2HH2 ARG 112 2HH2 ARG 112 14.767 -10.838 -13.660 842 H LYS 113 H LYS 113 7.644 -8.424 -12.996 843 HA LYS 113 HA LYS 113 6.578 -8.242 -15.584 844 1HB LYS 113 1HB LYS 113 7.210 -6.309 -14.198 845 2HB LYS 113 2HB LYS 113 8.903 -6.760 -14.349 846 1HG LYS 113 1HG LYS 113 8.772 -6.422 -16.774 847 2HG LYS 113 2HG LYS 113 7.086 -5.932 -16.601 848 1HD LYS 113 1HD LYS 113 7.798 -4.086 -15.139 849 2HD LYS 113 2HD LYS 113 9.479 -4.562 -15.391 850 1HE LYS 113 1HE LYS 113 9.281 -4.122 -17.760 851 2HE LYS 113 2HE LYS 113 7.570 -3.739 -17.573 852 1HZ LYS 113 1HZ LYS 113 8.795 -1.708 -17.669 853 2HZ LYS 113 2HZ LYS 113 9.875 -2.229 -16.471 854 3HZ LYS 113 3HZ LYS 113 8.264 -1.908 -16.071 855 H VAL 114 H VAL 114 7.202 -9.235 -17.371 856 HA VAL 114 HA VAL 114 9.507 -10.859 -17.543 857 HB VAL 114 HB VAL 114 7.835 -9.800 -19.829 858 1HG1 VAL 114 1HG1 VAL 114 9.642 -12.212 -19.648 859 2HG1 VAL 114 2HG1 VAL 114 9.959 -10.739 -20.565 860 3HG1 VAL 114 3HG1 VAL 114 8.621 -11.792 -21.025 861 1HG2 VAL 114 1HG2 VAL 114 6.446 -10.923 -18.179 862 2HG2 VAL 114 2HG2 VAL 114 7.521 -12.322 -18.204 863 3HG2 VAL 114 3HG2 VAL 114 6.587 -11.900 -19.640 864 H GLY 115 H GLY 115 8.744 -7.963 -19.491 865 1HA GLY 115 1HA GLY 115 10.213 -6.136 -19.844 866 2HA GLY 115 2HA GLY 115 11.548 -7.128 -19.275 867 H SER 116 H SER 116 9.167 -8.168 -21.618 868 HA SER 116 HA SER 116 11.195 -7.995 -23.742 869 1HB SER 116 1HB SER 116 9.332 -10.336 -23.256 870 2HB SER 116 2HB SER 116 10.498 -10.194 -24.572 871 HG SER 116 HG SER 116 11.715 -9.780 -22.205 Start of MODEL 9 1 H MET 1 H MET 1 15.860 -0.364 0.384 2 HA MET 1 HA MET 1 13.965 0.727 1.353 3 1HB MET 1 1HB MET 1 13.791 -1.662 0.861 4 2HB MET 1 2HB MET 1 14.459 -2.054 2.437 5 1HG MET 1 1HG MET 1 12.205 -2.385 2.754 6 2HG MET 1 2HG MET 1 12.442 -0.752 3.371 7 1HE MET 1 1HE MET 1 11.354 1.382 2.371 8 2HE MET 1 2HE MET 1 10.755 1.496 0.717 9 3HE MET 1 3HE MET 1 12.470 1.208 1.016 10 H VAL 2 H VAL 2 14.245 2.399 2.787 11 HA VAL 2 HA VAL 2 13.938 1.657 5.575 12 HB VAL 2 HB VAL 2 16.334 1.968 5.413 13 1HG1 VAL 2 1HG1 VAL 2 16.446 3.348 3.416 14 2HG1 VAL 2 2HG1 VAL 2 17.325 4.108 4.743 15 3HG1 VAL 2 3HG1 VAL 2 15.726 4.700 4.291 16 1HG2 VAL 2 1HG2 VAL 2 16.620 3.772 7.058 17 2HG2 VAL 2 2HG2 VAL 2 15.262 2.714 7.443 18 3HG2 VAL 2 3HG2 VAL 2 14.969 4.300 6.731 19 H SER 3 H SER 3 12.576 3.026 6.649 20 HA SER 3 HA SER 3 10.985 4.738 5.012 21 1HB SER 3 1HB SER 3 10.825 4.655 8.001 22 2HB SER 3 2HB SER 3 9.530 4.896 6.836 23 HG SER 3 HG SER 3 9.599 2.777 7.845 24 H THR 4 H THR 4 11.480 6.750 4.521 25 HA THR 4 HA THR 4 12.836 8.420 6.509 26 HB THR 4 HB THR 4 13.951 8.619 4.441 27 HG1 THR 4 HG1 THR 4 12.280 10.829 4.044 28 1HG2 THR 4 1HG2 THR 4 12.229 7.531 3.075 29 2HG2 THR 4 2HG2 THR 4 12.854 8.993 2.308 30 3HG2 THR 4 3HG2 THR 4 11.279 9.017 3.103 31 H LEU 5 H LEU 5 11.464 9.373 7.850 32 HA LEU 5 HA LEU 5 8.738 9.935 6.917 33 1HB LEU 5 1HB LEU 5 9.703 9.967 9.772 34 2HB LEU 5 2HB LEU 5 8.055 9.859 9.188 35 HG LEU 5 HG LEU 5 10.124 7.696 8.813 36 1HD1 LEU 5 1HD1 LEU 5 7.901 7.904 10.833 37 2HD1 LEU 5 2HD1 LEU 5 9.629 7.974 11.170 38 3HD1 LEU 5 3HD1 LEU 5 8.909 6.484 10.559 39 1HD2 LEU 5 1HD2 LEU 5 7.143 7.718 8.372 40 2HD2 LEU 5 2HD2 LEU 5 8.193 6.310 8.218 41 3HD2 LEU 5 3HD2 LEU 5 8.381 7.677 7.118 42 HA PRO 6 HA PRO 6 9.432 14.322 7.262 43 1HB PRO 6 1HB PRO 6 6.899 15.150 7.749 44 2HB PRO 6 2HB PRO 6 7.415 14.575 6.160 45 1HG PRO 6 1HG PRO 6 5.925 13.120 8.308 46 2HG PRO 6 2HG PRO 6 5.637 13.130 6.560 47 1HD PRO 6 1HD PRO 6 6.944 11.115 7.826 48 2HD PRO 6 2HD PRO 6 7.294 11.585 6.152 49 HA PRO 7 HA PRO 7 9.811 15.252 11.586 50 1HB PRO 7 1HB PRO 7 9.135 18.059 11.058 51 2HB PRO 7 2HB PRO 7 10.655 17.359 11.619 52 1HG PRO 7 1HG PRO 7 10.364 18.387 9.144 53 2HG PRO 7 2HG PRO 7 11.437 17.021 9.491 54 1HD PRO 7 1HD PRO 7 8.711 17.026 8.259 55 2HD PRO 7 2HD PRO 7 10.132 16.043 7.849 56 H CYS 8 H CYS 8 8.630 17.032 13.164 57 HA CYS 8 HA CYS 8 5.796 16.326 13.076 58 1HB CYS 8 1HB CYS 8 6.756 15.807 15.197 59 2HB CYS 8 2HB CYS 8 7.593 17.352 15.275 60 HA PRO 9 HA PRO 9 5.105 20.438 11.470 61 1HB PRO 9 1HB PRO 9 2.384 20.362 11.579 62 2HB PRO 9 2HB PRO 9 3.325 19.581 10.304 63 1HG PRO 9 1HG PRO 9 2.120 18.386 12.770 64 2HG PRO 9 2HG PRO 9 2.135 17.754 11.113 65 1HD PRO 9 1HD PRO 9 3.831 16.854 12.997 66 2HD PRO 9 2HD PRO 9 4.306 16.984 11.292 67 H GLN 10 H GLN 10 4.925 19.445 14.549 68 HA GLN 10 HA GLN 10 3.772 21.942 15.504 69 1HB GLN 10 1HB GLN 10 2.431 19.968 16.020 70 2HB GLN 10 2HB GLN 10 3.818 19.231 16.807 71 1HG GLN 10 1HG GLN 10 3.744 20.724 18.583 72 2HG GLN 10 2HG GLN 10 2.685 21.840 17.715 73 1HE2 GLN 10 1HE2 GLN 10 2.222 18.453 17.502 74 2HE2 GLN 10 2HE2 GLN 10 0.780 18.365 18.420 75 H CYS 11 H CYS 11 6.513 19.573 15.883 76 HA CYS 11 HA CYS 11 7.763 21.491 17.699 77 1HB CYS 11 1HB CYS 11 8.447 18.577 17.219 78 2HB CYS 11 2HB CYS 11 9.161 19.629 18.428 79 H ASN 12 H ASN 12 8.203 19.399 14.879 80 HA ASN 12 HA ASN 12 9.615 19.430 13.103 81 1HB ASN 12 1HB ASN 12 9.211 21.925 13.244 82 2HB ASN 12 2HB ASN 12 10.729 22.042 14.131 83 1HD2 ASN 12 1HD2 ASN 12 11.759 23.254 12.583 84 2HD2 ASN 12 2HD2 ASN 12 12.236 22.615 11.048 85 H SER 13 H SER 13 10.430 19.080 16.178 86 HA SER 13 HA SER 13 13.234 19.023 16.273 87 1HB SER 13 1HB SER 13 12.817 17.457 18.211 88 2HB SER 13 2HB SER 13 11.965 18.997 18.285 89 HG SER 13 HG SER 13 10.465 17.474 18.764 90 H GLU 14 H GLU 14 10.863 16.647 15.347 91 HA GLU 14 HA GLU 14 11.005 15.005 13.770 92 1HB GLU 14 1HB GLU 14 13.634 16.107 13.575 93 2HB GLU 14 2HB GLU 14 13.726 14.350 13.516 94 1HG GLU 14 1HG GLU 14 11.888 14.453 11.811 95 2HG GLU 14 2HG GLU 14 12.190 16.187 11.728 96 H TYR 15 H TYR 15 11.314 14.741 16.832 97 HA TYR 15 HA TYR 15 12.394 12.168 17.168 98 1HB TYR 15 1HB TYR 15 10.230 13.606 18.715 99 2HB TYR 15 2HB TYR 15 10.895 12.054 19.202 100 HD1 TYR 15 HD1 TYR 15 11.676 15.627 18.726 101 HD2 TYR 15 HD2 TYR 15 12.982 11.919 20.341 102 HE1 TYR 15 HE1 TYR 15 13.428 16.801 19.982 103 HE2 TYR 15 HE2 TYR 15 14.745 13.083 21.604 104 HH TYR 15 HH TYR 15 14.805 16.512 21.912 105 H THR 16 H THR 16 10.034 13.011 15.178 106 HA THR 16 HA THR 16 7.889 11.316 15.559 107 HB THR 16 HB THR 16 8.928 11.928 12.814 108 HG1 THR 16 HG1 THR 16 8.024 14.054 13.100 109 1HG2 THR 16 1HG2 THR 16 6.797 10.746 13.059 110 2HG2 THR 16 2HG2 THR 16 6.557 12.357 12.381 111 3HG2 THR 16 3HG2 THR 16 6.194 12.050 14.080 112 H TYR 17 H TYR 17 7.366 9.285 14.780 113 HA TYR 17 HA TYR 17 9.278 7.657 13.372 114 1HB TYR 17 1HB TYR 17 9.488 5.932 15.057 115 2HB TYR 17 2HB TYR 17 9.997 7.456 15.770 116 HD1 TYR 17 HD1 TYR 17 7.589 4.744 15.878 117 HD2 TYR 17 HD2 TYR 17 8.546 8.581 17.455 118 HE1 TYR 17 HE1 TYR 17 6.016 4.370 17.724 119 HE2 TYR 17 HE2 TYR 17 6.971 8.215 19.304 120 HH TYR 17 HH TYR 17 5.584 5.143 19.958 121 H GLU 18 H GLU 18 8.183 5.288 13.218 122 HA GLU 18 HA GLU 18 5.372 5.848 12.636 123 1HB GLU 18 1HB GLU 18 5.550 3.811 11.163 124 2HB GLU 18 2HB GLU 18 6.539 5.179 10.674 125 1HG GLU 18 1HG GLU 18 8.513 4.139 11.566 126 2HG GLU 18 2HG GLU 18 7.557 2.824 12.245 127 H ASP 19 H ASP 19 4.041 5.214 14.217 128 HA ASP 19 HA ASP 19 4.516 2.625 15.498 129 1HB ASP 19 1HB ASP 19 4.359 4.503 17.076 130 2HB ASP 19 2HB ASP 19 2.794 4.944 16.406 131 H GLY 20 H GLY 20 3.725 1.731 13.437 132 1HA GLY 20 1HA GLY 20 1.919 0.319 12.814 133 2HA GLY 20 2HA GLY 20 0.816 1.440 13.596 134 H ALA 21 H ALA 21 -0.280 2.802 12.357 135 HA ALA 21 HA ALA 21 0.382 2.777 9.485 136 1HB ALA 21 1HB ALA 21 -2.291 3.174 10.818 137 2HB ALA 21 2HB ALA 21 -1.719 1.680 10.073 138 3HB ALA 21 3HB ALA 21 -1.998 3.110 9.080 139 H LEU 22 H LEU 22 1.190 4.747 11.706 140 HA LEU 22 HA LEU 22 0.806 7.096 10.123 141 1HB LEU 22 1HB LEU 22 -0.441 8.422 11.545 142 2HB LEU 22 2HB LEU 22 -1.266 6.880 11.612 143 HG LEU 22 HG LEU 22 0.663 7.873 13.710 144 1HD1 LEU 22 1HD1 LEU 22 -1.346 8.286 15.043 145 2HD1 LEU 22 2HD1 LEU 22 -2.346 7.857 13.654 146 3HD1 LEU 22 3HD1 LEU 22 -1.306 9.281 13.586 147 1HD2 LEU 22 1HD2 LEU 22 0.515 5.443 13.642 148 2HD2 LEU 22 2HD2 LEU 22 -1.247 5.534 13.689 149 3HD2 LEU 22 3HD2 LEU 22 -0.298 6.070 15.076 150 H LEU 23 H LEU 23 1.652 9.053 11.689 151 HA LEU 23 HA LEU 23 4.224 8.109 12.765 152 1HB LEU 23 1HB LEU 23 3.572 10.922 11.913 153 2HB LEU 23 2HB LEU 23 5.152 10.215 12.185 154 HG LEU 23 HG LEU 23 3.298 9.528 9.906 155 1HD1 LEU 23 1HD1 LEU 23 4.244 11.758 9.701 156 2HD1 LEU 23 2HD1 LEU 23 4.961 10.659 8.522 157 3HD1 LEU 23 3HD1 LEU 23 5.861 11.108 9.971 158 1HD2 LEU 23 1HD2 LEU 23 6.127 8.646 10.444 159 2HD2 LEU 23 2HD2 LEU 23 5.155 8.244 9.027 160 3HD2 LEU 23 3HD2 LEU 23 4.691 7.638 10.618 161 H VAL 24 H VAL 24 4.709 8.568 14.915 162 HA VAL 24 HA VAL 24 2.762 10.205 16.385 163 HB VAL 24 HB VAL 24 4.378 7.834 17.345 164 1HG1 VAL 24 1HG1 VAL 24 4.075 9.408 19.133 165 2HG1 VAL 24 2HG1 VAL 24 3.020 8.019 19.398 166 3HG1 VAL 24 3HG1 VAL 24 2.351 9.530 18.785 167 1HG2 VAL 24 1HG2 VAL 24 1.435 8.085 16.766 168 2HG2 VAL 24 2HG2 VAL 24 2.201 6.700 17.544 169 3HG2 VAL 24 3HG2 VAL 24 2.610 7.114 15.879 170 H CYS 25 H CYS 25 3.623 11.943 17.501 171 HA CYS 25 HA CYS 25 6.536 12.104 17.665 172 1HB CYS 25 1HB CYS 25 5.322 14.007 16.679 173 2HB CYS 25 2HB CYS 25 4.407 14.187 18.170 174 HA PRO 26 HA PRO 26 5.893 10.765 21.902 175 1HB PRO 26 1HB PRO 26 8.518 10.427 22.482 176 2HB PRO 26 2HB PRO 26 7.589 9.254 21.541 177 1HG PRO 26 1HG PRO 26 9.464 11.385 20.592 178 2HG PRO 26 2HG PRO 26 9.302 9.708 20.039 179 1HD PRO 26 1HD PRO 26 8.224 11.810 18.703 180 2HD PRO 26 2HD PRO 26 7.496 10.191 18.701 181 H GLU 27 H GLU 27 7.144 13.608 20.689 182 HA GLU 27 HA GLU 27 8.130 14.590 23.229 183 1HB GLU 27 1HB GLU 27 9.386 15.149 21.209 184 2HB GLU 27 2HB GLU 27 7.979 15.969 20.547 185 1HG GLU 27 1HG GLU 27 8.134 17.725 22.060 186 2HG GLU 27 2HG GLU 27 9.143 16.803 23.172 187 H CYS 28 H CYS 28 5.644 15.812 20.844 188 HA CYS 28 HA CYS 28 4.555 17.361 23.036 189 1HB CYS 28 1HB CYS 28 3.161 18.429 21.305 190 2HB CYS 28 2HB CYS 28 4.877 18.515 20.929 191 H ALA 29 H ALA 29 4.106 14.228 22.362 192 HA ALA 29 HA ALA 29 2.520 12.776 22.935 193 1HB ALA 29 1HB ALA 29 1.196 15.138 24.253 194 2HB ALA 29 2HB ALA 29 2.447 14.126 24.974 195 3HB ALA 29 3HB ALA 29 0.872 13.436 24.584 196 H HIS 30 H HIS 30 2.238 14.136 20.356 197 HA HIS 30 HA HIS 30 -0.579 13.457 19.972 198 1HB HIS 30 1HB HIS 30 -0.265 15.990 20.121 199 2HB HIS 30 2HB HIS 30 0.599 15.866 18.591 200 HD1 HIS 30 HD1 HIS 30 -0.909 16.507 16.721 201 HD2 HIS 30 HD2 HIS 30 -2.931 14.455 19.724 202 HE1 HIS 30 HE1 HIS 30 -3.283 16.303 15.925 203 HE2 HIS 30 HE2 HIS 30 -4.439 14.893 17.669 204 H GLU 31 H GLU 31 -0.908 12.160 18.334 205 HA GLU 31 HA GLU 31 1.264 11.554 16.490 206 1HB GLU 31 1HB GLU 31 -1.442 10.279 16.340 207 2HB GLU 31 2HB GLU 31 0.132 9.583 15.994 208 1HG GLU 31 1HG GLU 31 -0.385 8.505 17.933 209 2HG GLU 31 2HG GLU 31 0.492 9.894 18.569 210 H TRP 32 H TRP 32 0.515 11.168 14.123 211 HA TRP 32 HA TRP 32 -1.660 12.683 13.126 212 1HB TRP 32 1HB TRP 32 -0.660 14.587 12.272 213 2HB TRP 32 2HB TRP 32 0.236 14.399 13.772 214 HD1 TRP 32 HD1 TRP 32 2.562 12.604 13.184 215 HE1 TRP 32 HE1 TRP 32 4.331 13.109 11.376 216 HE3 TRP 32 HE3 TRP 32 -0.139 15.824 10.287 217 HZ2 TRP 32 HZ2 TRP 32 4.548 14.669 9.039 218 HZ3 TRP 32 HZ3 TRP 32 0.922 16.783 8.286 219 HH2 TRP 32 HH2 TRP 32 3.215 16.216 7.674 220 H SER 33 H SER 33 -1.667 12.600 10.747 221 HA SER 33 HA SER 33 0.039 10.446 9.732 222 1HB SER 33 1HB SER 33 -2.888 10.896 9.121 223 2HB SER 33 2HB SER 33 -1.881 9.609 8.468 224 HG SER 33 HG SER 33 -2.363 8.516 10.179 225 HA PRO 34 HA PRO 34 1.393 13.638 7.037 226 1HB PRO 34 1HB PRO 34 2.318 12.000 4.992 227 2HB PRO 34 2HB PRO 34 3.230 12.458 6.431 228 1HG PRO 34 1HG PRO 34 1.720 9.951 5.861 229 2HG PRO 34 2HG PRO 34 3.248 10.171 6.732 230 1HD PRO 34 1HD PRO 34 0.933 9.721 8.021 231 2HD PRO 34 2HD PRO 34 2.183 10.788 8.691 232 H ASN 35 H ASN 35 -0.543 11.010 5.678 233 HA ASN 35 HA ASN 35 -1.736 12.957 3.816 234 1HB ASN 35 1HB ASN 35 -2.022 11.134 2.178 235 2HB ASN 35 2HB ASN 35 -0.328 11.413 2.562 236 1HD2 ASN 35 1HD2 ASN 35 -1.619 9.059 1.448 237 2HD2 ASN 35 2HD2 ASN 35 -1.267 7.757 2.539 238 H GLU 36 H GLU 36 -2.286 9.958 5.634 239 HA GLU 36 HA GLU 36 -4.995 9.651 5.045 240 1HB GLU 36 1HB GLU 36 -3.641 7.870 6.003 241 2HB GLU 36 2HB GLU 36 -3.454 8.782 7.493 242 1HG GLU 36 1HG GLU 36 -5.079 6.994 7.737 243 2HG GLU 36 2HG GLU 36 -5.825 8.574 7.951 244 H ALA 37 H ALA 37 -3.464 11.846 7.280 245 HA ALA 37 HA ALA 37 -5.596 12.243 9.071 246 1HB ALA 37 1HB ALA 37 -4.525 14.332 9.673 247 2HB ALA 37 2HB ALA 37 -3.523 14.260 8.224 248 3HB ALA 37 3HB ALA 37 -3.322 13.054 9.495 249 H ALA 38 H ALA 38 -5.329 13.050 5.795 250 HA ALA 38 HA ALA 38 -7.123 15.300 5.830 251 1HB ALA 38 1HB ALA 38 -7.025 15.135 3.398 252 2HB ALA 38 2HB ALA 38 -6.173 13.596 3.529 253 3HB ALA 38 3HB ALA 38 -5.409 15.079 4.101 254 H THR 39 H THR 39 -7.423 11.876 5.819 255 HA THR 39 HA THR 39 -10.242 12.086 4.993 256 HB THR 39 HB THR 39 -8.539 9.595 4.859 257 HG1 THR 39 HG1 THR 39 -7.791 10.334 3.035 258 1HG2 THR 39 1HG2 THR 39 -10.952 9.203 4.968 259 2HG2 THR 39 2HG2 THR 39 -10.321 8.792 3.373 260 3HG2 THR 39 3HG2 THR 39 -11.199 10.303 3.612 261 H ALA 40 H ALA 40 -8.286 9.703 6.803 262 HA ALA 40 HA ALA 40 -10.115 9.968 9.082 263 1HB ALA 40 1HB ALA 40 -11.112 8.253 7.644 264 2HB ALA 40 2HB ALA 40 -10.522 7.553 9.152 265 3HB ALA 40 3HB ALA 40 -9.596 7.352 7.665 266 H SER 41 H SER 41 -9.241 7.709 10.485 267 HA SER 41 HA SER 41 -6.399 8.315 10.936 268 1HB SER 41 1HB SER 41 -8.282 6.708 12.680 269 2HB SER 41 2HB SER 41 -6.681 7.310 13.117 270 HG SER 41 HG SER 41 -8.355 9.278 12.237 271 H ASP 42 H ASP 42 -7.727 6.594 8.826 272 HA ASP 42 HA ASP 42 -7.471 4.659 7.720 273 1HB ASP 42 1HB ASP 42 -5.095 4.887 7.891 274 2HB ASP 42 2HB ASP 42 -5.101 4.267 9.538 275 H ASP 43 H ASP 43 -8.579 2.935 7.750 276 HA ASP 43 HA ASP 43 -9.074 1.530 10.282 277 1HB ASP 43 1HB ASP 43 -10.978 2.984 10.027 278 2HB ASP 43 2HB ASP 43 -11.179 2.507 8.344 279 H GLY 44 H GLY 44 -9.063 1.512 6.778 280 1HA GLY 44 1HA GLY 44 -7.955 -0.624 5.976 281 2HA GLY 44 2HA GLY 44 -9.247 -1.429 6.850 282 H LYS 45 H LYS 45 -10.185 1.485 5.350 283 HA LYS 45 HA LYS 45 -11.747 0.065 3.394 284 1HB LYS 45 1HB LYS 45 -11.350 3.022 3.870 285 2HB LYS 45 2HB LYS 45 -12.395 2.368 2.615 286 1HG LYS 45 1HG LYS 45 -13.609 1.139 4.468 287 2HG LYS 45 2HG LYS 45 -12.709 2.162 5.591 288 1HD LYS 45 1HD LYS 45 -14.884 3.136 5.154 289 2HD LYS 45 2HD LYS 45 -13.623 4.157 4.456 290 1HE LYS 45 1HE LYS 45 -14.040 3.184 2.258 291 2HE LYS 45 2HE LYS 45 -15.273 2.129 2.947 292 1HZ LYS 45 1HZ LYS 45 -16.274 4.032 1.885 293 2HZ LYS 45 2HZ LYS 45 -15.370 5.098 2.844 294 3HZ LYS 45 3HZ LYS 45 -16.547 4.102 3.557 295 H VAL 46 H VAL 46 -8.759 1.825 3.514 296 HA VAL 46 HA VAL 46 -8.399 1.705 0.638 297 HB VAL 46 HB VAL 46 -6.291 2.458 2.663 298 1HG1 VAL 46 1HG1 VAL 46 -5.505 2.070 0.400 299 2HG1 VAL 46 2HG1 VAL 46 -5.405 3.786 0.795 300 3HG1 VAL 46 3HG1 VAL 46 -6.710 3.192 -0.233 301 1HG2 VAL 46 1HG2 VAL 46 -6.986 4.798 2.388 302 2HG2 VAL 46 2HG2 VAL 46 -8.258 3.824 3.125 303 3HG2 VAL 46 3HG2 VAL 46 -8.365 4.271 1.423 304 H ILE 47 H ILE 47 -6.981 0.324 -0.394 305 HA ILE 47 HA ILE 47 -6.773 -2.233 0.899 306 HB ILE 47 HB ILE 47 -5.779 -1.541 -1.864 307 1HG1 ILE 47 1HG1 ILE 47 -8.075 -0.707 -1.641 308 2HG1 ILE 47 2HG1 ILE 47 -8.023 -2.114 -2.695 309 1HG2 ILE 47 1HG2 ILE 47 -6.363 -3.893 -2.330 310 2HG2 ILE 47 2HG2 ILE 47 -6.826 -4.095 -0.641 311 3HG2 ILE 47 3HG2 ILE 47 -5.148 -3.742 -1.059 312 1HD1 ILE 47 1HD1 ILE 47 -8.916 -3.514 -0.960 313 2HD1 ILE 47 2HD1 ILE 47 -9.949 -2.096 -1.150 314 3HD1 ILE 47 3HD1 ILE 47 -8.824 -2.191 0.205 315 H LYS 48 H LYS 48 -4.987 -3.195 1.653 316 HA LYS 48 HA LYS 48 -2.419 -1.783 1.413 317 1HB LYS 48 1HB LYS 48 -3.970 -2.115 3.686 318 2HB LYS 48 2HB LYS 48 -2.777 -3.397 3.821 319 1HG LYS 48 1HG LYS 48 -1.022 -1.929 4.011 320 2HG LYS 48 2HG LYS 48 -1.887 -0.624 3.194 321 1HD LYS 48 1HD LYS 48 -2.589 -1.703 5.924 322 2HD LYS 48 2HD LYS 48 -1.621 -0.255 5.637 323 1HE LYS 48 1HE LYS 48 -3.492 0.784 4.465 324 2HE LYS 48 2HE LYS 48 -4.459 -0.672 4.689 325 1HZ LYS 48 1HZ LYS 48 -4.904 1.165 6.311 326 2HZ LYS 48 2HZ LYS 48 -3.360 0.902 6.948 327 3HZ LYS 48 3HZ LYS 48 -4.518 -0.326 7.018 328 H ASP 49 H ASP 49 -0.622 -3.057 1.035 329 HA ASP 49 HA ASP 49 -1.302 -5.711 0.019 330 1HB ASP 49 1HB ASP 49 0.850 -3.726 -0.672 331 2HB ASP 49 2HB ASP 49 0.904 -5.383 -1.248 332 H SER 50 H SER 50 0.943 -7.049 -0.199 333 HA SER 50 HA SER 50 1.317 -7.917 2.507 334 1HB SER 50 1HB SER 50 1.174 -9.476 0.566 335 2HB SER 50 2HB SER 50 2.739 -8.885 0.012 336 HG SER 50 HG SER 50 2.521 -9.832 2.648 337 H VAL 51 H VAL 51 2.714 -5.570 0.774 338 HA VAL 51 HA VAL 51 5.419 -5.785 1.849 339 HB VAL 51 HB VAL 51 4.268 -3.394 0.435 340 1HG1 VAL 51 1HG1 VAL 51 6.445 -3.094 1.429 341 2HG1 VAL 51 2HG1 VAL 51 6.582 -3.109 -0.331 342 3HG1 VAL 51 3HG1 VAL 51 7.051 -4.530 0.604 343 1HG2 VAL 51 1HG2 VAL 51 5.002 -4.396 -1.679 344 2HG2 VAL 51 2HG2 VAL 51 3.691 -5.291 -0.910 345 3HG2 VAL 51 3HG2 VAL 51 5.346 -5.901 -0.823 346 H GLY 52 H GLY 52 2.399 -4.502 2.645 347 1HA GLY 52 1HA GLY 52 1.862 -3.569 4.759 348 2HA GLY 52 2HA GLY 52 3.530 -3.016 4.904 349 H ASN 53 H ASN 53 2.943 -2.350 1.858 350 HA ASN 53 HA ASN 53 2.480 0.414 2.447 351 1HB ASN 53 1HB ASN 53 2.709 0.666 -0.103 352 2HB ASN 53 2HB ASN 53 4.125 0.228 0.834 353 1HD2 ASN 53 1HD2 ASN 53 1.570 -2.056 -0.027 354 2HD2 ASN 53 2HD2 ASN 53 2.545 -2.966 -1.129 355 H VAL 54 H VAL 54 1.019 1.689 1.587 356 HA VAL 54 HA VAL 54 -1.631 0.461 1.165 357 HB VAL 54 HB VAL 54 -1.201 3.359 1.868 358 1HG1 VAL 54 1HG1 VAL 54 -3.467 3.106 2.823 359 2HG1 VAL 54 2HG1 VAL 54 -3.495 1.437 2.245 360 3HG1 VAL 54 3HG1 VAL 54 -3.408 2.770 1.092 361 1HG2 VAL 54 1HG2 VAL 54 -1.460 1.059 3.802 362 2HG2 VAL 54 2HG2 VAL 54 -1.510 2.770 4.229 363 3HG2 VAL 54 3HG2 VAL 54 -0.032 2.069 3.570 364 H LEU 55 H LEU 55 -2.894 1.038 -0.677 365 HA LEU 55 HA LEU 55 -1.194 2.009 -2.820 366 1HB LEU 55 1HB LEU 55 -3.691 0.344 -2.691 367 2HB LEU 55 2HB LEU 55 -3.112 1.012 -4.202 368 HG LEU 55 HG LEU 55 -1.057 -0.280 -4.034 369 1HD1 LEU 55 1HD1 LEU 55 -0.761 -1.968 -2.292 370 2HD1 LEU 55 2HD1 LEU 55 -2.180 -1.340 -1.449 371 3HD1 LEU 55 3HD1 LEU 55 -0.745 -0.329 -1.634 372 1HD2 LEU 55 1HD2 LEU 55 -2.022 -2.551 -4.173 373 2HD2 LEU 55 2HD2 LEU 55 -2.898 -1.352 -5.130 374 3HD2 LEU 55 3HD2 LEU 55 -3.552 -1.898 -3.585 375 H GLN 56 H GLN 56 -2.457 3.016 -4.644 376 HA GLN 56 HA GLN 56 -4.399 5.002 -3.666 377 1HB GLN 56 1HB GLN 56 -2.297 6.105 -4.150 378 2HB GLN 56 2HB GLN 56 -2.174 5.294 -5.698 379 1HG GLN 56 1HG GLN 56 -2.777 7.611 -5.991 380 2HG GLN 56 2HG GLN 56 -4.092 6.565 -6.517 381 1HE2 GLN 56 1HE2 GLN 56 -6.036 6.715 -5.542 382 2HE2 GLN 56 2HE2 GLN 56 -6.418 7.830 -4.274 383 H ASP 57 H ASP 57 -6.250 5.226 -4.936 384 HA ASP 57 HA ASP 57 -6.897 3.134 -6.725 385 1HB ASP 57 1HB ASP 57 -8.573 4.339 -5.369 386 2HB ASP 57 2HB ASP 57 -8.255 5.805 -6.289 387 H GLY 58 H GLY 58 -5.774 2.972 -8.562 388 1HA GLY 58 1HA GLY 58 -5.755 3.779 -10.889 389 2HA GLY 58 2HA GLY 58 -5.510 5.393 -10.235 390 H ASP 59 H ASP 59 -3.777 3.541 -8.248 391 HA ASP 59 HA ASP 59 -1.263 4.177 -9.470 392 1HB ASP 59 1HB ASP 59 -1.994 3.898 -6.916 393 2HB ASP 59 2HB ASP 59 -1.441 2.255 -7.195 394 H THR 60 H THR 60 0.468 2.310 -9.411 395 HA THR 60 HA THR 60 -0.634 0.081 -10.966 396 HB THR 60 HB THR 60 2.267 0.904 -10.765 397 HG1 THR 60 HG1 THR 60 1.128 2.645 -11.652 398 1HG2 THR 60 1HG2 THR 60 2.484 -0.314 -12.888 399 2HG2 THR 60 2HG2 THR 60 0.770 -0.723 -12.831 400 3HG2 THR 60 3HG2 THR 60 1.871 -1.365 -11.610 401 H ILE 61 H ILE 61 -0.295 -2.019 -10.289 402 HA ILE 61 HA ILE 61 1.140 -2.312 -7.731 403 HB ILE 61 HB ILE 61 -0.408 -3.993 -7.001 404 1HG1 ILE 61 1HG1 ILE 61 -2.569 -4.166 -8.608 405 2HG1 ILE 61 2HG1 ILE 61 -1.336 -3.887 -9.829 406 1HG2 ILE 61 1HG2 ILE 61 -2.461 -2.727 -6.781 407 2HG2 ILE 61 2HG2 ILE 61 -1.951 -1.645 -8.080 408 3HG2 ILE 61 3HG2 ILE 61 -1.049 -1.695 -6.564 409 1HD1 ILE 61 1HD1 ILE 61 -0.082 -5.810 -8.967 410 2HD1 ILE 61 2HD1 ILE 61 -1.695 -6.247 -9.540 411 3HD1 ILE 61 3HD1 ILE 61 -1.377 -6.114 -7.809 412 H THR 62 H THR 62 1.967 -4.575 -7.389 413 HA THR 62 HA THR 62 2.221 -6.174 -9.800 414 HB THR 62 HB THR 62 4.432 -4.756 -8.393 415 HG1 THR 62 HG1 THR 62 3.339 -4.492 -10.673 416 1HG2 THR 62 1HG2 THR 62 5.116 -7.043 -8.102 417 2HG2 THR 62 2HG2 THR 62 6.083 -6.314 -9.386 418 3HG2 THR 62 3HG2 THR 62 4.757 -7.404 -9.795 419 H VAL 63 H VAL 63 1.587 -8.122 -9.194 420 HA VAL 63 HA VAL 63 1.456 -9.130 -6.587 421 HB VAL 63 HB VAL 63 0.456 -10.010 -8.925 422 1HG1 VAL 63 1HG1 VAL 63 2.501 -10.753 -9.883 423 2HG1 VAL 63 2HG1 VAL 63 1.501 -12.160 -9.514 424 3HG1 VAL 63 3HG1 VAL 63 2.856 -11.737 -8.463 425 1HG2 VAL 63 1HG2 VAL 63 -0.169 -12.088 -7.821 426 2HG2 VAL 63 2HG2 VAL 63 -0.311 -10.712 -6.725 427 3HG2 VAL 63 3HG2 VAL 63 1.064 -11.810 -6.590 428 H ILE 64 H ILE 64 3.072 -9.700 -5.247 429 HA ILE 64 HA ILE 64 5.677 -10.202 -6.390 430 HB ILE 64 HB ILE 64 6.576 -10.027 -4.180 431 1HG1 ILE 64 1HG1 ILE 64 4.507 -11.240 -3.136 432 2HG1 ILE 64 2HG1 ILE 64 5.401 -10.077 -2.168 433 1HG2 ILE 64 1HG2 ILE 64 5.855 -7.777 -3.538 434 2HG2 ILE 64 2HG2 ILE 64 4.445 -7.940 -4.586 435 3HG2 ILE 64 3HG2 ILE 64 6.067 -7.933 -5.283 436 1HD1 ILE 64 1HD1 ILE 64 3.682 -8.387 -2.811 437 2HD1 ILE 64 2HD1 ILE 64 3.119 -9.712 -1.791 438 3HD1 ILE 64 3HD1 ILE 64 2.758 -9.716 -3.515 439 H LYS 65 H LYS 65 3.263 -12.230 -6.377 440 HA LYS 65 HA LYS 65 4.738 -14.378 -5.137 441 1HB LYS 65 1HB LYS 65 2.541 -13.182 -3.985 442 2HB LYS 65 2HB LYS 65 1.818 -14.495 -4.897 443 1HG LYS 65 1HG LYS 65 2.210 -15.224 -2.672 444 2HG LYS 65 2HG LYS 65 3.335 -16.066 -3.738 445 1HD LYS 65 1HD LYS 65 4.297 -13.532 -2.594 446 2HD LYS 65 2HD LYS 65 4.050 -14.844 -1.437 447 1HE LYS 65 1HE LYS 65 5.813 -14.850 -3.880 448 2HE LYS 65 2HE LYS 65 6.318 -14.917 -2.196 449 1HZ LYS 65 1HZ LYS 65 6.453 -17.111 -2.912 450 2HZ LYS 65 2HZ LYS 65 5.020 -17.034 -3.809 451 3HZ LYS 65 3HZ LYS 65 4.958 -17.069 -2.112 452 H ASP 66 H ASP 66 4.242 -16.404 -6.067 453 HA ASP 66 HA ASP 66 3.217 -16.436 -8.722 454 1HB ASP 66 1HB ASP 66 3.491 -18.946 -8.415 455 2HB ASP 66 2HB ASP 66 4.940 -17.979 -8.187 456 H LEU 67 H LEU 67 1.155 -16.017 -9.036 457 HA LEU 67 HA LEU 67 -0.919 -17.398 -7.439 458 1HB LEU 67 1HB LEU 67 -0.708 -14.660 -8.601 459 2HB LEU 67 2HB LEU 67 -2.283 -15.416 -8.636 460 HG LEU 67 HG LEU 67 -1.768 -13.836 -6.711 461 1HD1 LEU 67 1HD1 LEU 67 -2.984 -15.235 -5.090 462 2HD1 LEU 67 2HD1 LEU 67 -2.744 -16.628 -6.148 463 3HD1 LEU 67 3HD1 LEU 67 -3.708 -15.253 -6.698 464 1HD2 LEU 67 1HD2 LEU 67 0.453 -14.627 -6.171 465 2HD2 LEU 67 2HD2 LEU 67 -0.190 -16.220 -5.769 466 3HD2 LEU 67 3HD2 LEU 67 -0.624 -14.819 -4.788 467 H LYS 68 H LYS 68 -2.100 -18.897 -8.631 468 HA LYS 68 HA LYS 68 -2.003 -18.727 -11.527 469 1HB LYS 68 1HB LYS 68 -3.271 -20.790 -11.560 470 2HB LYS 68 2HB LYS 68 -1.938 -20.946 -10.427 471 1HG LYS 68 1HG LYS 68 -3.312 -21.022 -8.600 472 2HG LYS 68 2HG LYS 68 -4.593 -20.099 -9.390 473 1HD LYS 68 1HD LYS 68 -5.192 -22.471 -9.066 474 2HD LYS 68 2HD LYS 68 -5.168 -22.001 -10.767 475 1HE LYS 68 1HE LYS 68 -2.873 -22.946 -10.930 476 2HE LYS 68 2HE LYS 68 -3.041 -23.527 -9.274 477 1HZ LYS 68 1HZ LYS 68 -5.032 -24.777 -10.039 478 2HZ LYS 68 2HZ LYS 68 -3.576 -25.302 -10.734 479 3HZ LYS 68 3HZ LYS 68 -4.646 -24.345 -11.633 480 H VAL 69 H VAL 69 -4.282 -19.100 -12.668 481 HA VAL 69 HA VAL 69 -6.306 -17.430 -11.347 482 HB VAL 69 HB VAL 69 -5.768 -17.574 -14.335 483 1HG1 VAL 69 1HG1 VAL 69 -7.395 -15.773 -14.511 484 2HG1 VAL 69 2HG1 VAL 69 -7.664 -15.833 -12.768 485 3HG1 VAL 69 3HG1 VAL 69 -8.109 -17.210 -13.777 486 1HG2 VAL 69 1HG2 VAL 69 -5.003 -15.274 -14.203 487 2HG2 VAL 69 2HG2 VAL 69 -3.997 -16.320 -13.202 488 3HG2 VAL 69 3HG2 VAL 69 -5.212 -15.284 -12.451 489 H LYS 70 H LYS 70 -8.205 -18.608 -11.106 490 HA LYS 70 HA LYS 70 -8.064 -21.342 -11.937 491 1HB LYS 70 1HB LYS 70 -10.195 -21.545 -10.642 492 2HB LYS 70 2HB LYS 70 -8.812 -20.955 -9.734 493 1HG LYS 70 1HG LYS 70 -9.702 -18.625 -10.143 494 2HG LYS 70 2HG LYS 70 -11.174 -19.396 -10.737 495 1HD LYS 70 1HD LYS 70 -9.967 -19.809 -8.007 496 2HD LYS 70 2HD LYS 70 -11.334 -18.754 -8.366 497 1HE LYS 70 1HE LYS 70 -12.630 -20.665 -9.125 498 2HE LYS 70 2HE LYS 70 -11.255 -21.731 -8.836 499 1HZ LYS 70 1HZ LYS 70 -12.838 -21.835 -7.023 500 2HZ LYS 70 2HZ LYS 70 -12.701 -20.165 -6.766 501 3HZ LYS 70 3HZ LYS 70 -11.370 -21.179 -6.484 502 H GLY 71 H GLY 71 -10.155 -18.586 -12.738 503 1HA GLY 71 1HA GLY 71 -11.893 -20.236 -14.351 504 2HA GLY 71 2HA GLY 71 -11.971 -18.488 -14.184 505 H SER 72 H SER 72 -9.014 -18.461 -14.863 506 HA SER 72 HA SER 72 -9.361 -18.693 -17.773 507 1HB SER 72 1HB SER 72 -7.601 -16.822 -16.177 508 2HB SER 72 2HB SER 72 -7.664 -16.895 -17.936 509 HG SER 72 HG SER 72 -9.922 -16.373 -17.757 510 H SER 73 H SER 73 -7.155 -18.863 -18.931 511 HA SER 73 HA SER 73 -5.667 -21.048 -17.667 512 1HB SER 73 1HB SER 73 -5.569 -20.046 -20.524 513 2HB SER 73 2HB SER 73 -4.817 -21.518 -19.906 514 HG SER 73 HG SER 73 -7.480 -20.983 -20.512 515 H LEU 74 H LEU 74 -5.491 -17.815 -17.745 516 HA LEU 74 HA LEU 74 -2.681 -17.471 -18.230 517 1HB LEU 74 1HB LEU 74 -4.937 -15.735 -17.377 518 2HB LEU 74 2HB LEU 74 -3.319 -15.216 -16.960 519 HG LEU 74 HG LEU 74 -2.698 -15.270 -19.350 520 1HD1 LEU 74 1HD1 LEU 74 -4.256 -16.976 -20.106 521 2HD1 LEU 74 2HD1 LEU 74 -4.437 -15.494 -21.046 522 3HD1 LEU 74 3HD1 LEU 74 -5.612 -15.892 -19.792 523 1HD2 LEU 74 1HD2 LEU 74 -5.139 -13.619 -18.725 524 2HD2 LEU 74 2HD2 LEU 74 -3.981 -13.304 -20.017 525 3HD2 LEU 74 3HD2 LEU 74 -3.472 -13.200 -18.332 526 H VAL 75 H VAL 75 -1.083 -17.396 -16.766 527 HA VAL 75 HA VAL 75 -1.742 -17.854 -13.955 528 HB VAL 75 HB VAL 75 0.899 -18.326 -15.359 529 1HG1 VAL 75 1HG1 VAL 75 1.485 -19.589 -13.335 530 2HG1 VAL 75 2HG1 VAL 75 -0.045 -19.103 -12.601 531 3HG1 VAL 75 3HG1 VAL 75 1.173 -17.888 -12.989 532 1HG2 VAL 75 1HG2 VAL 75 -1.232 -20.304 -14.551 533 2HG2 VAL 75 2HG2 VAL 75 0.358 -20.712 -15.197 534 3HG2 VAL 75 3HG2 VAL 75 -0.805 -19.845 -16.200 535 H VAL 76 H VAL 76 -0.956 -16.548 -12.397 536 HA VAL 76 HA VAL 76 0.131 -13.964 -13.241 537 HB VAL 76 HB VAL 76 -1.268 -14.824 -10.695 538 1HG1 VAL 76 1HG1 VAL 76 0.403 -13.169 -10.150 539 2HG1 VAL 76 2HG1 VAL 76 -1.215 -12.480 -10.028 540 3HG1 VAL 76 3HG1 VAL 76 -0.200 -12.108 -11.423 541 1HG2 VAL 76 1HG2 VAL 76 -3.023 -13.280 -11.443 542 2HG2 VAL 76 2HG2 VAL 76 -2.757 -14.594 -12.589 543 3HG2 VAL 76 3HG2 VAL 76 -2.116 -12.986 -12.928 544 H LYS 77 H LYS 77 2.171 -13.577 -12.903 545 HA LYS 77 HA LYS 77 3.630 -15.250 -10.977 546 1HB LYS 77 1HB LYS 77 5.642 -14.946 -12.455 547 2HB LYS 77 2HB LYS 77 4.350 -15.935 -13.109 548 1HG LYS 77 1HG LYS 77 5.044 -14.643 -14.906 549 2HG LYS 77 2HG LYS 77 3.594 -13.821 -14.332 550 1HD LYS 77 1HD LYS 77 4.835 -12.093 -13.342 551 2HD LYS 77 2HD LYS 77 6.335 -13.019 -13.415 552 1HE LYS 77 1HE LYS 77 6.248 -12.885 -15.884 553 2HE LYS 77 2HE LYS 77 4.809 -11.874 -15.751 554 1HZ LYS 77 1HZ LYS 77 6.062 -10.177 -14.701 555 2HZ LYS 77 2HZ LYS 77 6.942 -10.647 -16.068 556 3HZ LYS 77 3HZ LYS 77 7.420 -11.171 -14.527 557 H VAL 78 H VAL 78 5.318 -14.425 -9.849 558 HA VAL 78 HA VAL 78 4.995 -11.935 -8.654 559 HB VAL 78 HB VAL 78 6.346 -13.501 -7.503 560 1HG1 VAL 78 1HG1 VAL 78 7.184 -14.781 -9.393 561 2HG1 VAL 78 2HG1 VAL 78 8.509 -14.317 -8.326 562 3HG1 VAL 78 3HG1 VAL 78 8.253 -13.451 -9.840 563 1HG2 VAL 78 1HG2 VAL 78 8.402 -12.256 -7.016 564 2HG2 VAL 78 2HG2 VAL 78 6.997 -11.194 -7.114 565 3HG2 VAL 78 3HG2 VAL 78 8.139 -11.272 -8.456 566 H GLY 79 H GLY 79 4.718 -10.245 -10.003 567 1HA GLY 79 1HA GLY 79 6.291 -8.352 -10.756 568 2HA GLY 79 2HA GLY 79 6.864 -9.561 -11.899 569 H THR 80 H THR 80 3.719 -10.150 -11.384 570 HA THR 80 HA THR 80 2.770 -9.277 -13.899 571 HB THR 80 HB THR 80 1.103 -9.927 -11.459 572 HG1 THR 80 HG1 THR 80 1.339 -11.676 -13.633 573 1HG2 THR 80 1HG2 THR 80 0.331 -9.771 -14.377 574 2HG2 THR 80 2HG2 THR 80 -0.168 -8.648 -13.113 575 3HG2 THR 80 3HG2 THR 80 -0.713 -10.325 -13.066 576 H LYS 81 H LYS 81 2.783 -7.257 -14.457 577 HA LYS 81 HA LYS 81 2.310 -5.187 -12.459 578 1HB LYS 81 1HB LYS 81 4.293 -4.949 -13.829 579 2HB LYS 81 2HB LYS 81 3.321 -4.953 -15.294 580 1HG LYS 81 1HG LYS 81 2.244 -2.872 -14.573 581 2HG LYS 81 2HG LYS 81 3.256 -2.863 -13.127 582 1HD LYS 81 1HD LYS 81 4.150 -1.388 -14.848 583 2HD LYS 81 2HD LYS 81 5.253 -2.727 -14.521 584 1HE LYS 81 1HE LYS 81 4.224 -3.906 -16.489 585 2HE LYS 81 2HE LYS 81 3.381 -2.400 -16.854 586 1HZ LYS 81 1HZ LYS 81 5.414 -2.609 -18.139 587 2HZ LYS 81 2HZ LYS 81 6.331 -2.753 -16.721 588 3HZ LYS 81 3HZ LYS 81 5.528 -1.300 -17.070 589 H VAL 82 H VAL 82 0.319 -4.523 -12.150 590 HA VAL 82 HA VAL 82 -1.313 -3.945 -14.531 591 HB VAL 82 HB VAL 82 -2.406 -4.788 -11.839 592 1HG1 VAL 82 1HG1 VAL 82 -3.735 -4.280 -14.496 593 2HG1 VAL 82 2HG1 VAL 82 -3.921 -3.338 -13.015 594 3HG1 VAL 82 3HG1 VAL 82 -4.529 -4.991 -13.093 595 1HG2 VAL 82 1HG2 VAL 82 -2.198 -6.379 -14.395 596 2HG2 VAL 82 2HG2 VAL 82 -3.029 -6.893 -12.927 597 3HG2 VAL 82 3HG2 VAL 82 -1.281 -6.663 -12.916 598 H LYS 83 H LYS 83 -1.670 -1.861 -14.774 599 HA LYS 83 HA LYS 83 -1.358 -0.112 -12.448 600 1HB LYS 83 1HB LYS 83 -0.977 1.687 -14.140 601 2HB LYS 83 2HB LYS 83 0.231 0.411 -14.130 602 1HG LYS 83 1HG LYS 83 -0.863 -0.626 -16.059 603 2HG LYS 83 2HG LYS 83 -2.043 0.687 -16.076 604 1HD LYS 83 1HD LYS 83 -0.441 2.274 -16.691 605 2HD LYS 83 2HD LYS 83 0.900 1.230 -16.216 606 1HE LYS 83 1HE LYS 83 -0.973 0.715 -18.515 607 2HE LYS 83 2HE LYS 83 0.649 1.393 -18.654 608 1HZ LYS 83 1HZ LYS 83 1.557 -0.635 -17.746 609 2HZ LYS 83 2HZ LYS 83 0.612 -0.990 -19.108 610 3HZ LYS 83 3HZ LYS 83 0.005 -1.291 -17.553 611 H ASN 84 H ASN 84 -2.601 1.748 -12.246 612 HA ASN 84 HA ASN 84 -4.453 3.047 -12.216 613 1HB ASN 84 1HB ASN 84 -4.906 1.762 -14.908 614 2HB ASN 84 2HB ASN 84 -5.952 3.017 -14.253 615 1HD2 ASN 84 1HD2 ASN 84 -2.842 2.284 -15.579 616 2HD2 ASN 84 2HD2 ASN 84 -2.304 3.915 -15.792 617 H ILE 85 H ILE 85 -4.525 0.672 -10.715 618 HA ILE 85 HA ILE 85 -6.755 -0.934 -11.071 619 HB ILE 85 HB ILE 85 -6.386 -1.515 -8.738 620 1HG1 ILE 85 1HG1 ILE 85 -4.395 0.768 -8.672 621 2HG1 ILE 85 2HG1 ILE 85 -6.019 0.879 -8.006 622 1HG2 ILE 85 1HG2 ILE 85 -3.788 -1.035 -10.200 623 2HG2 ILE 85 2HG2 ILE 85 -4.862 -2.414 -10.445 624 3HG2 ILE 85 3HG2 ILE 85 -4.046 -2.195 -8.896 625 1HD1 ILE 85 1HD1 ILE 85 -4.382 0.456 -6.270 626 2HD1 ILE 85 2HD1 ILE 85 -3.864 -1.014 -7.100 627 3HD1 ILE 85 3HD1 ILE 85 -5.493 -0.906 -6.433 628 H ARG 86 H ARG 86 -8.317 -1.122 -9.210 629 HA ARG 86 HA ARG 86 -9.519 1.453 -8.418 630 1HB ARG 86 1HB ARG 86 -11.113 0.604 -9.914 631 2HB ARG 86 2HB ARG 86 -10.742 -1.062 -9.519 632 1HG ARG 86 1HG ARG 86 -12.884 -0.672 -8.659 633 2HG ARG 86 2HG ARG 86 -11.807 -0.617 -7.265 634 1HD ARG 86 1HD ARG 86 -13.339 1.176 -7.044 635 2HD ARG 86 2HD ARG 86 -11.784 1.877 -7.501 636 HE ARG 86 HE ARG 86 -13.896 1.378 -9.498 637 1HH1 ARG 86 1HH1 ARG 86 -11.576 3.520 -7.980 638 2HH1 ARG 86 2HH1 ARG 86 -11.902 4.832 -9.073 639 1HH2 ARG 86 1HH2 ARG 86 -14.302 3.084 -10.937 640 2HH2 ARG 86 2HH2 ARG 86 -13.446 4.591 -10.754 641 H LEU 87 H LEU 87 -9.530 1.650 -6.162 642 HA LEU 87 HA LEU 87 -8.936 -0.677 -4.583 643 1HB LEU 87 1HB LEU 87 -9.725 2.118 -3.741 644 2HB LEU 87 2HB LEU 87 -9.097 0.870 -2.683 645 HG LEU 87 HG LEU 87 -7.592 2.227 -4.919 646 1HD1 LEU 87 1HD1 LEU 87 -7.297 2.392 -1.926 647 2HD1 LEU 87 2HD1 LEU 87 -7.922 3.657 -2.984 648 3HD1 LEU 87 3HD1 LEU 87 -6.236 3.156 -3.110 649 1HD2 LEU 87 1HD2 LEU 87 -6.663 0.141 -2.953 650 2HD2 LEU 87 2HD2 LEU 87 -5.648 0.990 -4.120 651 3HD2 LEU 87 3HD2 LEU 87 -6.912 -0.104 -4.682 652 H VAL 88 H VAL 88 -10.428 -2.066 -3.950 653 HA VAL 88 HA VAL 88 -13.232 -1.496 -4.335 654 HB VAL 88 HB VAL 88 -12.273 -3.915 -2.888 655 1HG1 VAL 88 1HG1 VAL 88 -14.637 -3.638 -3.272 656 2HG1 VAL 88 2HG1 VAL 88 -14.022 -5.000 -4.211 657 3HG1 VAL 88 3HG1 VAL 88 -14.356 -3.455 -5.005 658 1HG2 VAL 88 1HG2 VAL 88 -10.626 -3.815 -4.616 659 2HG2 VAL 88 2HG2 VAL 88 -11.843 -3.408 -5.831 660 3HG2 VAL 88 3HG2 VAL 88 -11.823 -5.017 -5.102 661 H ASP 89 H ASP 89 -14.660 -0.876 -2.740 662 HA ASP 89 HA ASP 89 -13.369 -0.452 -0.149 663 1HB ASP 89 1HB ASP 89 -14.843 1.363 0.249 664 2HB ASP 89 2HB ASP 89 -14.047 1.545 -1.301 665 H GLY 90 H GLY 90 -13.764 -2.529 0.374 666 1HA GLY 90 1HA GLY 90 -15.889 -2.635 2.299 667 2HA GLY 90 2HA GLY 90 -16.107 -3.805 0.999 668 H ASP 91 H ASP 91 -14.424 -5.347 0.619 669 HA ASP 91 HA ASP 91 -12.854 -6.004 2.972 670 1HB ASP 91 1HB ASP 91 -14.023 -7.744 1.494 671 2HB ASP 91 2HB ASP 91 -12.789 -7.400 0.286 672 H HIS 92 H HIS 92 -10.514 -6.965 1.681 673 HA HIS 92 HA HIS 92 -9.339 -4.346 1.035 674 1HB HIS 92 1HB HIS 92 -8.237 -6.797 2.383 675 2HB HIS 92 2HB HIS 92 -7.165 -5.596 1.679 676 HD1 HIS 92 HD1 HIS 92 -9.527 -6.147 4.531 677 HD2 HIS 92 HD2 HIS 92 -6.964 -3.201 3.093 678 HE1 HIS 92 HE1 HIS 92 -9.249 -4.506 6.417 679 HE2 HIS 92 HE2 HIS 92 -7.508 -2.872 5.599 680 H ASP 93 H ASP 93 -10.537 -5.671 -1.265 681 HA ASP 93 HA ASP 93 -8.350 -7.042 -2.524 682 1HB ASP 93 1HB ASP 93 -11.163 -6.469 -3.381 683 2HB ASP 93 2HB ASP 93 -10.008 -7.416 -4.306 684 H ILE 94 H ILE 94 -7.836 -6.559 -4.709 685 HA ILE 94 HA ILE 94 -8.074 -3.709 -5.425 686 HB ILE 94 HB ILE 94 -6.010 -5.709 -6.329 687 1HG1 ILE 94 1HG1 ILE 94 -5.570 -3.357 -4.504 688 2HG1 ILE 94 2HG1 ILE 94 -5.976 -4.956 -3.883 689 1HG2 ILE 94 1HG2 ILE 94 -4.847 -3.760 -7.251 690 2HG2 ILE 94 2HG2 ILE 94 -6.195 -2.733 -6.761 691 3HG2 ILE 94 3HG2 ILE 94 -6.437 -3.980 -7.984 692 1HD1 ILE 94 1HD1 ILE 94 -3.605 -4.628 -3.818 693 2HD1 ILE 94 2HD1 ILE 94 -3.580 -4.230 -5.538 694 3HD1 ILE 94 3HD1 ILE 94 -4.009 -5.861 -5.014 695 H ASP 95 H ASP 95 -9.458 -3.333 -7.030 696 HA ASP 95 HA ASP 95 -10.054 -5.517 -8.858 697 1HB ASP 95 1HB ASP 95 -11.872 -4.181 -7.747 698 2HB ASP 95 2HB ASP 95 -11.375 -2.799 -8.717 699 H CYS 96 H CYS 96 -9.634 -5.437 -11.009 700 HA CYS 96 HA CYS 96 -8.126 -3.165 -12.019 701 1HB CYS 96 1HB CYS 96 -6.249 -4.629 -12.741 702 2HB CYS 96 2HB CYS 96 -6.380 -4.470 -10.993 703 HG CYS 96 HG CYS 96 -7.931 -7.002 -10.977 704 H LYS 97 H LYS 97 -7.841 -3.186 -14.288 705 HA LYS 97 HA LYS 97 -9.728 -4.975 -15.662 706 1HB LYS 97 1HB LYS 97 -8.755 -2.325 -16.732 707 2HB LYS 97 2HB LYS 97 -10.141 -3.265 -17.261 708 1HG LYS 97 1HG LYS 97 -9.869 -1.709 -14.701 709 2HG LYS 97 2HG LYS 97 -10.919 -1.347 -16.069 710 1HD LYS 97 1HD LYS 97 -12.180 -3.403 -15.642 711 2HD LYS 97 2HD LYS 97 -11.123 -3.767 -14.276 712 1HE LYS 97 1HE LYS 97 -11.823 -1.553 -13.295 713 2HE LYS 97 2HE LYS 97 -13.043 -1.465 -14.564 714 1HZ LYS 97 1HZ LYS 97 -12.827 -3.473 -12.388 715 2HZ LYS 97 2HZ LYS 97 -13.863 -3.661 -13.721 716 3HZ LYS 97 3HZ LYS 97 -14.081 -2.361 -12.659 717 H ILE 98 H ILE 98 -8.882 -6.327 -17.160 718 HA ILE 98 HA ILE 98 -6.080 -5.888 -17.933 719 HB ILE 98 HB ILE 98 -7.282 -8.551 -17.166 720 1HG1 ILE 98 1HG1 ILE 98 -5.058 -7.144 -15.716 721 2HG1 ILE 98 2HG1 ILE 98 -6.742 -6.797 -15.329 722 1HG2 ILE 98 1HG2 ILE 98 -4.460 -7.808 -17.936 723 2HG2 ILE 98 2HG2 ILE 98 -5.597 -8.720 -18.929 724 3HG2 ILE 98 3HG2 ILE 98 -5.002 -9.403 -17.415 725 1HD1 ILE 98 1HD1 ILE 98 -5.421 -9.493 -15.200 726 2HD1 ILE 98 2HD1 ILE 98 -7.108 -9.141 -14.819 727 3HD1 ILE 98 3HD1 ILE 98 -5.818 -8.456 -13.829 728 H ASP 99 H ASP 99 -5.986 -5.689 -20.069 729 HA ASP 99 HA ASP 99 -8.147 -6.546 -21.744 730 1HB ASP 99 1HB ASP 99 -5.517 -5.193 -22.256 731 2HB ASP 99 2HB ASP 99 -6.484 -5.806 -23.595 732 H GLY 100 H GLY 100 -8.421 -8.620 -22.031 733 1HA GLY 100 1HA GLY 100 -7.113 -10.264 -23.682 734 2HA GLY 100 2HA GLY 100 -6.169 -10.449 -22.210 735 H ILE 101 H ILE 101 -8.127 -10.270 -20.309 736 HA ILE 101 HA ILE 101 -9.946 -12.491 -20.957 737 HB ILE 101 HB ILE 101 -9.746 -13.208 -18.553 738 1HG1 ILE 101 1HG1 ILE 101 -7.283 -11.445 -18.616 739 2HG1 ILE 101 2HG1 ILE 101 -8.742 -11.116 -17.688 740 1HG2 ILE 101 1HG2 ILE 101 -8.682 -14.447 -20.346 741 2HG2 ILE 101 2HG2 ILE 101 -7.666 -14.455 -18.905 742 3HG2 ILE 101 3HG2 ILE 101 -7.268 -13.397 -20.259 743 1HD1 ILE 101 1HD1 ILE 101 -6.902 -13.469 -17.309 744 2HD1 ILE 101 2HD1 ILE 101 -8.359 -13.134 -16.373 745 3HD1 ILE 101 3HD1 ILE 101 -6.983 -12.034 -16.287 746 H GLY 102 H GLY 102 -9.338 -9.656 -18.941 747 1HA GLY 102 1HA GLY 102 -11.421 -8.130 -19.206 748 2HA GLY 102 2HA GLY 102 -12.206 -9.461 -18.363 749 H ALA 103 H ALA 103 -12.710 -8.131 -16.584 750 HA ALA 103 HA ALA 103 -10.564 -6.870 -15.105 751 1HB ALA 103 1HB ALA 103 -12.786 -5.836 -15.196 752 2HB ALA 103 2HB ALA 103 -12.319 -6.214 -13.538 753 3HB ALA 103 3HB ALA 103 -13.475 -7.243 -14.383 754 H MET 104 H MET 104 -9.803 -7.522 -13.081 755 HA MET 104 HA MET 104 -10.599 -10.198 -12.188 756 1HB MET 104 1HB MET 104 -8.635 -10.477 -13.624 757 2HB MET 104 2HB MET 104 -7.752 -9.303 -12.662 758 1HG MET 104 1HG MET 104 -7.097 -11.582 -12.129 759 2HG MET 104 2HG MET 104 -7.823 -10.779 -10.742 760 1HE MET 104 1HE MET 104 -8.872 -14.552 -10.331 761 2HE MET 104 2HE MET 104 -8.040 -13.187 -9.586 762 3HE MET 104 3HE MET 104 -7.362 -13.956 -11.021 763 H LYS 105 H LYS 105 -9.989 -10.693 -10.022 764 HA LYS 105 HA LYS 105 -9.651 -8.315 -8.332 765 1HB LYS 105 1HB LYS 105 -10.603 -9.930 -6.528 766 2HB LYS 105 2HB LYS 105 -11.702 -9.192 -7.681 767 1HG LYS 105 1HG LYS 105 -10.552 -11.894 -8.239 768 2HG LYS 105 2HG LYS 105 -11.912 -11.721 -7.127 769 1HD LYS 105 1HD LYS 105 -13.152 -10.521 -8.919 770 2HD LYS 105 2HD LYS 105 -11.809 -10.845 -10.014 771 1HE LYS 105 1HE LYS 105 -12.154 -13.255 -9.706 772 2HE LYS 105 2HE LYS 105 -13.512 -12.917 -8.632 773 1HZ LYS 105 1HZ LYS 105 -14.533 -11.696 -10.550 774 2HZ LYS 105 2HZ LYS 105 -14.408 -13.374 -10.755 775 3HZ LYS 105 3HZ LYS 105 -13.311 -12.341 -11.538 776 H LEU 106 H LEU 106 -7.920 -8.188 -7.059 777 HA LEU 106 HA LEU 106 -6.065 -10.474 -7.075 778 1HB LEU 106 1HB LEU 106 -5.385 -7.536 -6.932 779 2HB LEU 106 2HB LEU 106 -4.253 -8.868 -7.060 780 HG LEU 106 HG LEU 106 -6.245 -8.073 -9.187 781 1HD1 LEU 106 1HD1 LEU 106 -4.282 -7.287 -10.409 782 2HD1 LEU 106 2HD1 LEU 106 -3.267 -7.660 -9.015 783 3HD1 LEU 106 3HD1 LEU 106 -4.504 -6.406 -8.895 784 1HD2 LEU 106 1HD2 LEU 106 -5.722 -10.463 -9.214 785 2HD2 LEU 106 2HD2 LEU 106 -3.998 -10.091 -9.242 786 3HD2 LEU 106 3HD2 LEU 106 -5.022 -9.637 -10.605 787 H LYS 107 H LYS 107 -5.122 -11.047 -5.297 788 HA LYS 107 HA LYS 107 -6.139 -10.141 -2.767 789 1HB LYS 107 1HB LYS 107 -4.529 -12.404 -3.709 790 2HB LYS 107 2HB LYS 107 -4.057 -11.805 -2.126 791 1HG LYS 107 1HG LYS 107 -6.844 -12.645 -2.901 792 2HG LYS 107 2HG LYS 107 -5.691 -13.629 -1.995 793 1HD LYS 107 1HD LYS 107 -5.616 -11.871 -0.258 794 2HD LYS 107 2HD LYS 107 -6.846 -10.975 -1.149 795 1HE LYS 107 1HE LYS 107 -8.413 -12.815 -0.867 796 2HE LYS 107 2HE LYS 107 -7.180 -13.754 -0.024 797 1HZ LYS 107 1HZ LYS 107 -7.111 -11.991 1.676 798 2HZ LYS 107 2HZ LYS 107 -8.634 -12.730 1.563 799 3HZ LYS 107 3HZ LYS 107 -8.392 -11.196 0.885 800 H SER 108 H SER 108 -5.453 -8.354 -1.895 801 HA SER 108 HA SER 108 -3.173 -6.916 -2.451 802 1HB SER 108 1HB SER 108 -3.535 -6.032 -0.042 803 2HB SER 108 2HB SER 108 -4.833 -5.812 -1.216 804 HG SER 108 HG SER 108 -6.055 -6.929 0.056 805 H GLU 109 H GLU 109 -3.716 -9.443 -0.077 806 HA GLU 109 HA GLU 109 -1.280 -9.500 1.194 807 1HB GLU 109 1HB GLU 109 -3.000 -11.883 0.508 808 2HB GLU 109 2HB GLU 109 -1.849 -11.768 1.832 809 1HG GLU 109 1HG GLU 109 -3.202 -10.135 2.939 810 2HG GLU 109 2HG GLU 109 -4.307 -10.056 1.570 811 H PHE 110 H PHE 110 -1.907 -10.305 -2.068 812 HA PHE 110 HA PHE 110 0.630 -11.798 -2.144 813 1HB PHE 110 1HB PHE 110 -1.832 -11.999 -3.857 814 2HB PHE 110 2HB PHE 110 -0.290 -12.684 -4.353 815 HD1 PHE 110 HD1 PHE 110 -3.272 -13.649 -3.168 816 HD2 PHE 110 HD2 PHE 110 0.823 -13.898 -2.051 817 HE1 PHE 110 HE1 PHE 110 -3.764 -15.655 -1.835 818 HE2 PHE 110 HE2 PHE 110 0.340 -15.909 -0.719 819 HZ PHE 110 HZ PHE 110 -1.956 -16.790 -0.611 820 H VAL 111 H VAL 111 -0.335 -8.763 -2.597 821 HA VAL 111 HA VAL 111 1.289 -8.460 -5.042 822 HB VAL 111 HB VAL 111 -0.128 -6.585 -5.770 823 1HG1 VAL 111 1HG1 VAL 111 -1.698 -9.115 -5.264 824 2HG1 VAL 111 2HG1 VAL 111 -0.589 -8.852 -6.611 825 3HG1 VAL 111 3HG1 VAL 111 -2.063 -7.891 -6.481 826 1HG2 VAL 111 1HG2 VAL 111 -2.277 -6.222 -4.683 827 2HG2 VAL 111 2HG2 VAL 111 -0.929 -5.890 -3.598 828 3HG2 VAL 111 3HG2 VAL 111 -1.841 -7.392 -3.443 829 H ARG 112 H ARG 112 1.701 -5.987 -5.372 830 HA ARG 112 HA ARG 112 2.405 -4.651 -2.889 831 1HB ARG 112 1HB ARG 112 4.485 -5.579 -3.071 832 2HB ARG 112 2HB ARG 112 4.339 -5.830 -4.806 833 1HG ARG 112 1HG ARG 112 5.004 -3.680 -5.310 834 2HG ARG 112 2HG ARG 112 4.605 -3.066 -3.706 835 1HD ARG 112 1HD ARG 112 6.493 -4.222 -2.763 836 2HD ARG 112 2HD ARG 112 6.843 -4.972 -4.303 837 HE ARG 112 HE ARG 112 6.957 -2.376 -4.934 838 1HH1 ARG 112 1HH1 ARG 112 8.413 -4.153 -2.291 839 2HH1 ARG 112 2HH1 ARG 112 9.774 -3.084 -2.156 840 1HH2 ARG 112 1HH2 ARG 112 8.758 -0.975 -4.761 841 2HH2 ARG 112 2HH2 ARG 112 9.980 -1.286 -3.564 842 H LYS 113 H LYS 113 2.219 -2.492 -3.048 843 HA LYS 113 HA LYS 113 1.393 -1.257 -5.469 844 1HB LYS 113 1HB LYS 113 0.937 -0.584 -2.997 845 2HB LYS 113 2HB LYS 113 2.483 0.250 -3.117 846 1HG LYS 113 1HG LYS 113 1.336 1.194 -5.334 847 2HG LYS 113 2HG LYS 113 -0.115 0.880 -4.378 848 1HD LYS 113 1HD LYS 113 0.383 3.034 -3.746 849 2HD LYS 113 2HD LYS 113 1.218 2.106 -2.496 850 1HE LYS 113 1HE LYS 113 2.867 3.574 -3.132 851 2HE LYS 113 2HE LYS 113 3.213 2.205 -4.178 852 1HZ LYS 113 1HZ LYS 113 1.628 4.591 -4.954 853 2HZ LYS 113 2HZ LYS 113 2.024 3.291 -5.968 854 3HZ LYS 113 3HZ LYS 113 3.244 4.318 -5.379 855 H VAL 114 H VAL 114 2.612 -0.493 -7.029 856 HA VAL 114 HA VAL 114 5.497 -0.605 -6.814 857 HB VAL 114 HB VAL 114 3.844 0.138 -9.230 858 1HG1 VAL 114 1HG1 VAL 114 6.690 -0.825 -8.972 859 2HG1 VAL 114 2HG1 VAL 114 6.175 0.811 -9.384 860 3HG1 VAL 114 3HG1 VAL 114 5.841 -0.523 -10.488 861 1HG2 VAL 114 1HG2 VAL 114 3.174 -2.056 -8.487 862 2HG2 VAL 114 2HG2 VAL 114 4.859 -2.563 -8.361 863 3HG2 VAL 114 3HG2 VAL 114 4.160 -2.203 -9.941 864 H GLY 115 H GLY 115 3.149 1.817 -8.013 865 1HA GLY 115 1HA GLY 115 3.267 4.139 -7.838 866 2HA GLY 115 2HA GLY 115 4.791 3.972 -6.975 867 H SER 116 H SER 116 3.886 2.671 -10.126 868 HA SER 116 HA SER 116 6.335 3.691 -11.273 869 1HB SER 116 1HB SER 116 5.475 1.383 -11.753 870 2HB SER 116 2HB SER 116 4.119 2.113 -12.609 871 HG SER 116 HG SER 116 5.405 2.688 -14.225 Start of MODEL 10 1 H MET 1 H MET 1 16.606 28.690 14.509 2 HA MET 1 HA MET 1 15.293 27.295 16.764 3 1HB MET 1 1HB MET 1 14.499 29.608 16.577 4 2HB MET 1 2HB MET 1 14.208 29.382 14.858 5 1HG MET 1 1HG MET 1 12.139 29.261 16.124 6 2HG MET 1 2HG MET 1 12.506 27.717 15.349 7 1HE MET 1 1HE MET 1 10.771 26.453 16.892 8 2HE MET 1 2HE MET 1 10.352 27.981 17.666 9 3HE MET 1 3HE MET 1 10.753 26.575 18.651 10 H VAL 2 H VAL 2 13.749 25.734 16.100 11 HA VAL 2 HA VAL 2 13.697 25.091 13.258 12 HB VAL 2 HB VAL 2 15.445 23.687 14.112 13 1HG1 VAL 2 1HG1 VAL 2 14.894 23.731 16.479 14 2HG1 VAL 2 2HG1 VAL 2 15.088 22.070 15.916 15 3HG1 VAL 2 3HG1 VAL 2 13.473 22.728 16.181 16 1HG2 VAL 2 1HG2 VAL 2 12.901 22.122 13.742 17 2HG2 VAL 2 2HG2 VAL 2 14.533 21.468 13.601 18 3HG2 VAL 2 3HG2 VAL 2 13.972 22.695 12.465 19 H SER 3 H SER 3 11.692 24.857 12.602 20 HA SER 3 HA SER 3 9.813 23.317 14.202 21 1HB SER 3 1HB SER 3 9.188 26.117 13.223 22 2HB SER 3 2HB SER 3 8.000 24.991 13.879 23 HG SER 3 HG SER 3 10.088 25.181 15.554 24 H THR 4 H THR 4 10.095 21.757 12.604 25 HA THR 4 HA THR 4 9.013 22.446 9.954 26 HB THR 4 HB THR 4 10.354 20.437 9.161 27 HG1 THR 4 HG1 THR 4 11.802 19.541 10.516 28 1HG2 THR 4 1HG2 THR 4 11.063 22.729 8.711 29 2HG2 THR 4 2HG2 THR 4 12.458 21.702 9.041 30 3HG2 THR 4 3HG2 THR 4 11.859 22.803 10.283 31 H LEU 5 H LEU 5 9.424 19.707 12.188 32 HA LEU 5 HA LEU 5 7.192 18.306 11.005 33 1HB LEU 5 1HB LEU 5 8.634 17.546 13.548 34 2HB LEU 5 2HB LEU 5 7.724 16.514 12.463 35 HG LEU 5 HG LEU 5 10.337 17.836 11.748 36 1HD1 LEU 5 1HD1 LEU 5 10.641 16.203 13.522 37 2HD1 LEU 5 2HD1 LEU 5 11.305 15.607 12.001 38 3HD1 LEU 5 3HD1 LEU 5 9.756 15.002 12.584 39 1HD2 LEU 5 1HD2 LEU 5 8.926 17.383 9.816 40 2HD2 LEU 5 2HD2 LEU 5 8.712 15.716 10.347 41 3HD2 LEU 5 3HD2 LEU 5 10.306 16.284 9.849 42 HA PRO 6 HA PRO 6 4.148 19.761 13.907 43 1HB PRO 6 1HB PRO 6 2.399 17.709 13.828 44 2HB PRO 6 2HB PRO 6 2.601 18.810 12.458 45 1HG PRO 6 1HG PRO 6 3.779 16.090 12.886 46 2HG PRO 6 2HG PRO 6 3.015 16.752 11.431 47 1HD PRO 6 1HD PRO 6 5.706 16.646 11.744 48 2HD PRO 6 2HD PRO 6 4.904 17.935 10.827 49 HA PRO 7 HA PRO 7 5.118 17.854 17.798 50 1HB PRO 7 1HB PRO 7 2.404 18.464 18.731 51 2HB PRO 7 2HB PRO 7 3.950 19.099 19.300 52 1HG PRO 7 1HG PRO 7 2.200 20.607 17.909 53 2HG PRO 7 2HG PRO 7 3.954 20.819 17.769 54 1HD PRO 7 1HD PRO 7 2.058 19.423 15.917 55 2HD PRO 7 2HD PRO 7 3.444 20.466 15.534 56 H CYS 8 H CYS 8 3.580 16.584 19.554 57 HA CYS 8 HA CYS 8 2.710 14.208 18.107 58 1HB CYS 8 1HB CYS 8 4.316 13.673 19.760 59 2HB CYS 8 2HB CYS 8 3.562 14.728 20.947 60 HA PRO 9 HA PRO 9 -1.499 15.571 18.884 61 1HB PRO 9 1HB PRO 9 -2.715 13.339 17.900 62 2HB PRO 9 2HB PRO 9 -2.074 14.625 16.871 63 1HG PRO 9 1HG PRO 9 -0.832 12.004 17.619 64 2HG PRO 9 2HG PRO 9 -0.904 12.793 16.033 65 1HD PRO 9 1HD PRO 9 1.305 12.886 17.554 66 2HD PRO 9 2HD PRO 9 0.812 14.260 16.544 67 H GLN 10 H GLN 10 0.291 13.542 20.580 68 HA GLN 10 HA GLN 10 -1.922 12.548 22.233 69 1HB GLN 10 1HB GLN 10 0.851 11.364 22.047 70 2HB GLN 10 2HB GLN 10 -0.545 10.683 22.876 71 1HG GLN 10 1HG GLN 10 -1.649 10.234 20.823 72 2HG GLN 10 2HG GLN 10 -0.457 11.162 19.913 73 1HE2 GLN 10 1HE2 GLN 10 1.596 10.289 19.595 74 2HE2 GLN 10 2HE2 GLN 10 1.889 8.607 19.735 75 H CYS 11 H CYS 11 1.331 14.114 22.236 76 HA CYS 11 HA CYS 11 0.959 14.708 25.074 77 1HB CYS 11 1HB CYS 11 3.455 14.855 23.355 78 2HB CYS 11 2HB CYS 11 3.374 15.137 25.087 79 H ASN 12 H ASN 12 1.927 16.024 21.934 80 HA ASN 12 HA ASN 12 1.979 18.085 21.014 81 1HB ASN 12 1HB ASN 12 -0.357 18.144 22.031 82 2HB ASN 12 2HB ASN 12 0.342 19.110 23.328 83 1HD2 ASN 12 1HD2 ASN 12 -0.821 20.947 22.849 84 2HD2 ASN 12 2HD2 ASN 12 -0.547 21.882 21.420 85 H SER 13 H SER 13 3.329 17.405 23.924 86 HA SER 13 HA SER 13 4.343 19.736 24.956 87 1HB SER 13 1HB SER 13 4.666 17.552 26.022 88 2HB SER 13 2HB SER 13 5.790 17.084 24.747 89 HG SER 13 HG SER 13 6.204 18.626 26.970 90 H GLU 14 H GLU 14 6.503 17.686 22.964 91 HA GLU 14 HA GLU 14 7.182 19.503 20.992 92 1HB GLU 14 1HB GLU 14 9.299 20.473 21.803 93 2HB GLU 14 2HB GLU 14 7.914 21.032 22.724 94 1HG GLU 14 1HG GLU 14 8.463 19.624 24.561 95 2HG GLU 14 2HG GLU 14 9.702 18.793 23.623 96 H TYR 15 H TYR 15 7.929 16.734 22.848 97 HA TYR 15 HA TYR 15 10.568 16.344 21.777 98 1HB TYR 15 1HB TYR 15 8.888 14.610 23.598 99 2HB TYR 15 2HB TYR 15 10.567 14.293 23.173 100 HD1 TYR 15 HD1 TYR 15 12.310 16.030 23.816 101 HD2 TYR 15 HD2 TYR 15 8.356 16.040 25.389 102 HE1 TYR 15 HE1 TYR 15 13.054 17.465 25.667 103 HE2 TYR 15 HE2 TYR 15 9.092 17.474 27.244 104 HH TYR 15 HH TYR 15 11.977 19.148 27.230 105 H THR 16 H THR 16 8.782 16.412 19.714 106 HA THR 16 HA THR 16 8.711 13.620 18.821 107 HB THR 16 HB THR 16 7.462 15.987 17.435 108 HG1 THR 16 HG1 THR 16 6.846 14.908 19.860 109 1HG2 THR 16 1HG2 THR 16 5.906 14.294 16.622 110 2HG2 THR 16 2HG2 THR 16 6.739 13.063 17.570 111 3HG2 THR 16 3HG2 THR 16 7.565 13.848 16.224 112 H TYR 17 H TYR 17 9.688 13.056 16.781 113 HA TYR 17 HA TYR 17 11.355 14.986 15.442 114 1HB TYR 17 1HB TYR 17 13.472 13.971 15.876 115 2HB TYR 17 2HB TYR 17 12.719 14.245 17.444 116 HD1 TYR 17 HD1 TYR 17 14.236 11.880 15.259 117 HD2 TYR 17 HD2 TYR 17 11.607 12.179 18.602 118 HE1 TYR 17 HE1 TYR 17 14.661 9.528 15.801 119 HE2 TYR 17 HE2 TYR 17 12.031 9.823 19.140 120 HH TYR 17 HH TYR 17 14.547 8.011 17.625 121 H GLU 18 H GLU 18 12.781 13.616 13.726 122 HA GLU 18 HA GLU 18 10.908 11.669 12.597 123 1HB GLU 18 1HB GLU 18 12.127 12.041 10.473 124 2HB GLU 18 2HB GLU 18 11.417 13.515 11.113 125 1HG GLU 18 1HG GLU 18 14.241 12.892 11.791 126 2HG GLU 18 2HG GLU 18 13.871 13.459 10.162 127 H ASP 19 H ASP 19 11.394 9.592 12.938 128 HA ASP 19 HA ASP 19 14.216 8.804 12.835 129 1HB ASP 19 1HB ASP 19 13.104 8.333 15.016 130 2HB ASP 19 2HB ASP 19 11.937 7.325 14.164 131 H GLY 20 H GLY 20 14.017 8.820 10.530 132 1HA GLY 20 1HA GLY 20 14.170 7.256 8.766 133 2HA GLY 20 2HA GLY 20 12.986 6.254 9.589 134 H ALA 21 H ALA 21 10.984 6.276 8.855 135 HA ALA 21 HA ALA 21 10.363 8.244 6.747 136 1HB ALA 21 1HB ALA 21 9.335 5.431 7.055 137 2HB ALA 21 2HB ALA 21 10.622 5.942 5.962 138 3HB ALA 21 3HB ALA 21 8.977 6.531 5.725 139 H LEU 22 H LEU 22 9.770 8.332 9.724 140 HA LEU 22 HA LEU 22 7.107 9.338 9.427 141 1HB LEU 22 1HB LEU 22 5.943 7.948 10.899 142 2HB LEU 22 2HB LEU 22 6.839 6.849 9.871 143 HG LEU 22 HG LEU 22 7.699 7.650 12.653 144 1HD1 LEU 22 1HD1 LEU 22 5.624 6.434 12.751 145 2HD1 LEU 22 2HD1 LEU 22 6.951 5.395 13.279 146 3HD1 LEU 22 3HD1 LEU 22 6.265 5.199 11.666 147 1HD2 LEU 22 1HD2 LEU 22 9.560 6.946 11.254 148 2HD2 LEU 22 2HD2 LEU 22 8.681 5.488 10.790 149 3HD2 LEU 22 3HD2 LEU 22 9.197 5.711 12.461 150 H LEU 23 H LEU 23 6.331 9.833 11.886 151 HA LEU 23 HA LEU 23 8.581 11.207 13.185 152 1HB LEU 23 1HB LEU 23 5.662 11.707 13.722 153 2HB LEU 23 2HB LEU 23 7.026 12.754 14.063 154 HG LEU 23 HG LEU 23 5.960 12.122 11.311 155 1HD1 LEU 23 1HD1 LEU 23 5.191 14.434 11.318 156 2HD1 LEU 23 2HD1 LEU 23 5.748 14.619 12.981 157 3HD1 LEU 23 3HD1 LEU 23 4.433 13.503 12.610 158 1HD2 LEU 23 1HD2 LEU 23 8.070 14.091 12.175 159 2HD2 LEU 23 2HD2 LEU 23 7.475 13.845 10.533 160 3HD2 LEU 23 3HD2 LEU 23 8.377 12.565 11.346 161 H VAL 24 H VAL 24 9.169 10.547 15.236 162 HA VAL 24 HA VAL 24 7.458 8.537 16.526 163 HB VAL 24 HB VAL 24 10.463 8.812 16.671 164 1HG1 VAL 24 1HG1 VAL 24 9.514 7.879 18.686 165 2HG1 VAL 24 2HG1 VAL 24 10.386 6.634 17.788 166 3HG1 VAL 24 3HG1 VAL 24 8.623 6.684 17.743 167 1HG2 VAL 24 1HG2 VAL 24 9.798 8.103 14.462 168 2HG2 VAL 24 2HG2 VAL 24 8.786 6.829 15.147 169 3HG2 VAL 24 3HG2 VAL 24 10.539 6.759 15.333 170 H CYS 25 H CYS 25 6.830 9.005 18.619 171 HA CYS 25 HA CYS 25 8.124 11.306 19.889 172 1HB CYS 25 1HB CYS 25 5.664 11.359 19.609 173 2HB CYS 25 2HB CYS 25 5.542 9.888 20.565 174 HA PRO 26 HA PRO 26 10.163 8.068 22.311 175 1HB PRO 26 1HB PRO 26 11.945 9.769 23.476 176 2HB PRO 26 2HB PRO 26 12.177 9.075 21.867 177 1HG PRO 26 1HG PRO 26 11.164 11.778 22.638 178 2HG PRO 26 2HG PRO 26 12.281 11.328 21.337 179 1HD PRO 26 1HD PRO 26 9.660 11.859 20.898 180 2HD PRO 26 2HD PRO 26 10.575 10.690 19.923 181 H GLU 27 H GLU 27 8.393 10.828 23.112 182 HA GLU 27 HA GLU 27 8.626 10.754 25.943 183 1HB GLU 27 1HB GLU 27 7.949 12.775 24.674 184 2HB GLU 27 2HB GLU 27 6.446 11.975 24.238 185 1HG GLU 27 1HG GLU 27 6.054 13.497 26.048 186 2HG GLU 27 2HG GLU 27 5.853 11.842 26.621 187 H CYS 28 H CYS 28 5.725 9.987 23.893 188 HA CYS 28 HA CYS 28 4.783 8.382 26.120 189 1HB CYS 28 1HB CYS 28 2.628 8.359 24.919 190 2HB CYS 28 2HB CYS 28 3.216 9.990 25.213 191 H ALA 29 H ALA 29 6.852 7.561 23.803 192 HA ALA 29 HA ALA 29 7.465 5.614 22.887 193 1HB ALA 29 1HB ALA 29 5.427 4.411 24.755 194 2HB ALA 29 2HB ALA 29 7.099 4.792 25.166 195 3HB ALA 29 3HB ALA 29 6.748 3.557 23.956 196 H HIS 30 H HIS 30 5.364 7.113 21.602 197 HA HIS 30 HA HIS 30 4.260 4.922 20.002 198 1HB HIS 30 1HB HIS 30 2.521 5.884 21.611 199 2HB HIS 30 2HB HIS 30 2.625 7.360 20.679 200 HD1 HIS 30 HD1 HIS 30 1.612 3.737 20.306 201 HD2 HIS 30 HD2 HIS 30 1.158 7.379 18.344 202 HE1 HIS 30 HE1 HIS 30 -0.057 3.319 18.468 203 HE2 HIS 30 HE2 HIS 30 -0.375 5.549 17.337 204 H GLU 31 H GLU 31 4.458 5.215 17.888 205 HA GLU 31 HA GLU 31 5.494 7.805 16.957 206 1HB GLU 31 1HB GLU 31 6.455 6.588 15.086 207 2HB GLU 31 2HB GLU 31 6.969 5.862 16.601 208 1HG GLU 31 1HG GLU 31 4.705 4.803 14.934 209 2HG GLU 31 2HG GLU 31 6.372 4.263 14.775 210 H TRP 32 H TRP 32 4.859 8.313 14.618 211 HA TRP 32 HA TRP 32 2.395 7.253 13.638 212 1HB TRP 32 1HB TRP 32 0.874 8.936 14.151 213 2HB TRP 32 2HB TRP 32 1.804 8.818 15.638 214 HD1 TRP 32 HD1 TRP 32 4.188 10.645 15.251 215 HE1 TRP 32 HE1 TRP 32 3.951 13.177 14.811 216 HE3 TRP 32 HE3 TRP 32 -0.598 10.714 13.475 217 HZ2 TRP 32 HZ2 TRP 32 1.998 14.954 13.843 218 HZ3 TRP 32 HZ3 TRP 32 -1.576 12.872 12.815 219 HH2 TRP 32 HH2 TRP 32 -0.306 14.947 12.992 220 H SER 33 H SER 33 1.703 8.396 11.680 221 HA SER 33 HA SER 33 3.887 9.951 10.478 222 1HB SER 33 1HB SER 33 3.726 7.829 9.347 223 2HB SER 33 2HB SER 33 1.979 7.997 9.185 224 HG SER 33 HG SER 33 3.962 8.953 7.589 225 HA PRO 34 HA PRO 34 1.105 13.332 10.385 226 1HB PRO 34 1HB PRO 34 2.073 14.614 8.136 227 2HB PRO 34 2HB PRO 34 2.755 14.749 9.756 228 1HG PRO 34 1HG PRO 34 3.642 13.055 7.466 229 2HG PRO 34 2HG PRO 34 4.617 13.932 8.658 230 1HD PRO 34 1HD PRO 34 4.244 11.273 8.809 231 2HD PRO 34 2HD PRO 34 4.364 12.286 10.261 232 H ASN 35 H ASN 35 1.477 11.274 7.595 233 HA ASN 35 HA ASN 35 -1.221 12.087 6.739 234 1HB ASN 35 1HB ASN 35 -0.623 11.634 4.417 235 2HB ASN 35 2HB ASN 35 0.431 12.860 5.105 236 1HD2 ASN 35 1HD2 ASN 35 0.717 10.953 2.838 237 2HD2 ASN 35 2HD2 ASN 35 2.222 10.143 3.132 238 H GLU 36 H GLU 36 1.080 9.401 6.983 239 HA GLU 36 HA GLU 36 -0.658 7.453 5.884 240 1HB GLU 36 1HB GLU 36 1.796 7.198 5.999 241 2HB GLU 36 2HB GLU 36 1.688 7.054 7.744 242 1HG GLU 36 1HG GLU 36 0.297 5.028 7.442 243 2HG GLU 36 2HG GLU 36 0.574 5.151 5.704 244 H ALA 37 H ALA 37 -0.446 8.867 9.032 245 HA ALA 37 HA ALA 37 -1.746 6.796 10.479 246 1HB ALA 37 1HB ALA 37 -2.131 8.476 12.202 247 2HB ALA 37 2HB ALA 37 -1.665 9.751 11.077 248 3HB ALA 37 3HB ALA 37 -0.474 8.561 11.602 249 H ALA 38 H ALA 38 -2.857 9.478 8.525 250 HA ALA 38 HA ALA 38 -5.614 9.232 9.266 251 1HB ALA 38 1HB ALA 38 -6.033 10.759 7.396 252 2HB ALA 38 2HB ALA 38 -4.356 10.586 6.878 253 3HB ALA 38 3HB ALA 38 -4.727 11.347 8.425 254 H THR 39 H THR 39 -3.619 8.224 6.546 255 HA THR 39 HA THR 39 -3.844 6.704 4.899 256 HB THR 39 HB THR 39 -3.585 5.301 6.977 257 HG1 THR 39 HG1 THR 39 -4.207 3.343 5.837 258 1HG2 THR 39 1HG2 THR 39 -5.468 3.899 7.672 259 2HG2 THR 39 2HG2 THR 39 -6.535 4.793 6.588 260 3HG2 THR 39 3HG2 THR 39 -5.797 5.607 7.967 261 H ALA 40 H ALA 40 -5.780 4.799 4.266 262 HA ALA 40 HA ALA 40 -7.640 4.545 2.983 263 1HB ALA 40 1HB ALA 40 -8.775 4.897 5.121 264 2HB ALA 40 2HB ALA 40 -9.715 5.549 3.778 265 3HB ALA 40 3HB ALA 40 -8.800 6.635 4.824 266 H SER 41 H SER 41 -5.720 6.178 1.904 267 HA SER 41 HA SER 41 -7.121 8.497 0.790 268 1HB SER 41 1HB SER 41 -4.208 7.701 0.554 269 2HB SER 41 2HB SER 41 -4.918 9.239 0.060 270 HG SER 41 HG SER 41 -5.633 8.972 2.535 271 H ASP 42 H ASP 42 -7.837 5.814 0.008 272 HA ASP 42 HA ASP 42 -7.633 6.159 -2.855 273 1HB ASP 42 1HB ASP 42 -5.626 4.742 -2.127 274 2HB ASP 42 2HB ASP 42 -6.794 3.496 -1.699 275 H ASP 43 H ASP 43 -9.064 4.545 -3.985 276 HA ASP 43 HA ASP 43 -11.547 4.356 -2.530 277 1HB ASP 43 1HB ASP 43 -11.498 5.016 -4.919 278 2HB ASP 43 2HB ASP 43 -10.882 3.420 -5.332 279 H GLY 44 H GLY 44 -8.974 2.237 -3.543 280 1HA GLY 44 1HA GLY 44 -8.551 0.188 -2.398 281 2HA GLY 44 2HA GLY 44 -10.267 0.059 -2.046 282 H LYS 45 H LYS 45 -10.955 0.767 -4.847 283 HA LYS 45 HA LYS 45 -10.845 -1.931 -5.875 284 1HB LYS 45 1HB LYS 45 -12.269 0.571 -6.720 285 2HB LYS 45 2HB LYS 45 -12.233 -0.849 -7.755 286 1HG LYS 45 1HG LYS 45 -13.252 -2.162 -5.936 287 2HG LYS 45 2HG LYS 45 -13.361 -0.688 -4.970 288 1HD LYS 45 1HD LYS 45 -15.464 -1.310 -6.191 289 2HD LYS 45 2HD LYS 45 -14.860 0.314 -6.528 290 1HE LYS 45 1HE LYS 45 -13.879 -0.447 -8.606 291 2HE LYS 45 2HE LYS 45 -14.364 -2.106 -8.257 292 1HZ LYS 45 1HZ LYS 45 -16.635 -1.534 -8.477 293 2HZ LYS 45 2HZ LYS 45 -15.842 -0.881 -9.830 294 3HZ LYS 45 3HZ LYS 45 -16.296 0.126 -8.544 295 H VAL 46 H VAL 46 -8.618 0.340 -5.963 296 HA VAL 46 HA VAL 46 -7.958 0.046 -8.788 297 HB VAL 46 HB VAL 46 -6.359 1.523 -6.706 298 1HG1 VAL 46 1HG1 VAL 46 -5.472 2.721 -8.659 299 2HG1 VAL 46 2HG1 VAL 46 -6.437 1.689 -9.715 300 3HG1 VAL 46 3HG1 VAL 46 -5.145 0.990 -8.738 301 1HG2 VAL 46 1HG2 VAL 46 -8.526 2.576 -8.515 302 2HG2 VAL 46 2HG2 VAL 46 -7.463 3.566 -7.514 303 3HG2 VAL 46 3HG2 VAL 46 -8.604 2.454 -6.758 304 H ILE 47 H ILE 47 -7.046 -1.774 -9.295 305 HA ILE 47 HA ILE 47 -5.842 -3.447 -7.278 306 HB ILE 47 HB ILE 47 -5.799 -4.293 -10.137 307 1HG1 ILE 47 1HG1 ILE 47 -7.990 -3.148 -9.904 308 2HG1 ILE 47 2HG1 ILE 47 -8.160 -4.882 -10.142 309 1HG2 ILE 47 1HG2 ILE 47 -5.030 -5.899 -8.578 310 2HG2 ILE 47 2HG2 ILE 47 -6.662 -6.428 -9.018 311 3HG2 ILE 47 3HG2 ILE 47 -6.381 -5.598 -7.486 312 1HD1 ILE 47 1HD1 ILE 47 -8.388 -3.429 -7.520 313 2HD1 ILE 47 2HD1 ILE 47 -8.556 -5.169 -7.753 314 3HD1 ILE 47 3HD1 ILE 47 -9.722 -4.065 -8.482 315 H LYS 48 H LYS 48 -3.759 -3.791 -6.975 316 HA LYS 48 HA LYS 48 -1.861 -2.411 -8.738 317 1HB LYS 48 1HB LYS 48 -2.289 -2.115 -6.064 318 2HB LYS 48 2HB LYS 48 -0.996 -3.306 -6.067 319 1HG LYS 48 1HG LYS 48 0.541 -1.831 -6.781 320 2HG LYS 48 2HG LYS 48 -0.603 -0.975 -7.820 321 1HD LYS 48 1HD LYS 48 -0.489 -0.779 -4.811 322 2HD LYS 48 2HD LYS 48 0.155 0.417 -5.940 323 1HE LYS 48 1HE LYS 48 -2.112 0.734 -6.861 324 2HE LYS 48 2HE LYS 48 -2.738 -0.423 -5.688 325 1HZ LYS 48 1HZ LYS 48 -3.014 1.945 -5.048 326 2HZ LYS 48 2HZ LYS 48 -1.323 2.080 -4.938 327 3HZ LYS 48 3HZ LYS 48 -2.159 1.022 -3.907 328 H ASP 49 H ASP 49 0.324 -3.432 -8.822 329 HA ASP 49 HA ASP 49 0.073 -6.349 -9.063 330 1HB ASP 49 1HB ASP 49 2.101 -4.473 -10.285 331 2HB ASP 49 2HB ASP 49 1.990 -6.196 -10.595 332 H SER 50 H SER 50 2.195 -7.518 -8.740 333 HA SER 50 HA SER 50 3.190 -6.920 -6.074 334 1HB SER 50 1HB SER 50 2.655 -9.251 -6.928 335 2HB SER 50 2HB SER 50 4.120 -9.140 -7.903 336 HG SER 50 HG SER 50 5.211 -9.655 -6.192 337 H VAL 51 H VAL 51 3.978 -6.126 -9.116 338 HA VAL 51 HA VAL 51 6.863 -5.876 -8.711 339 HB VAL 51 HB VAL 51 6.256 -6.635 -10.874 340 1HG1 VAL 51 1HG1 VAL 51 4.454 -4.258 -11.011 341 2HG1 VAL 51 2HG1 VAL 51 4.014 -5.971 -11.019 342 3HG1 VAL 51 3HG1 VAL 51 4.865 -5.270 -12.396 343 1HG2 VAL 51 1HG2 VAL 51 8.150 -5.137 -10.888 344 2HG2 VAL 51 2HG2 VAL 51 7.077 -3.750 -11.078 345 3HG2 VAL 51 3HG2 VAL 51 7.215 -4.945 -12.371 346 H GLY 52 H GLY 52 4.318 -4.275 -7.703 347 1HA GLY 52 1HA GLY 52 4.444 -2.381 -6.348 348 2HA GLY 52 2HA GLY 52 5.934 -1.928 -7.157 349 H ASN 53 H ASN 53 3.818 -2.610 -9.601 350 HA ASN 53 HA ASN 53 3.157 0.237 -9.717 351 1HB ASN 53 1HB ASN 53 2.778 -0.220 -12.205 352 2HB ASN 53 2HB ASN 53 4.422 -0.137 -11.609 353 1HD2 ASN 53 1HD2 ASN 53 2.145 -2.870 -11.420 354 2HD2 ASN 53 2HD2 ASN 53 3.128 -3.930 -12.372 355 H VAL 54 H VAL 54 1.292 0.828 -10.875 356 HA VAL 54 HA VAL 54 -1.029 -0.715 -9.877 357 HB VAL 54 HB VAL 54 -1.109 2.149 -10.794 358 1HG1 VAL 54 1HG1 VAL 54 -3.254 1.073 -10.673 359 2HG1 VAL 54 2HG1 VAL 54 -3.108 2.226 -9.346 360 3HG1 VAL 54 3HG1 VAL 54 -2.914 0.498 -9.041 361 1HG2 VAL 54 1HG2 VAL 54 -0.616 1.131 -7.999 362 2HG2 VAL 54 2HG2 VAL 54 -0.935 2.810 -8.433 363 3HG2 VAL 54 3HG2 VAL 54 0.532 2.015 -9.006 364 H LEU 55 H LEU 55 -2.791 -1.265 -11.260 365 HA LEU 55 HA LEU 55 -2.088 -1.243 -14.070 366 1HB LEU 55 1HB LEU 55 -4.230 -2.669 -12.487 367 2HB LEU 55 2HB LEU 55 -3.956 -2.877 -14.209 368 HG LEU 55 HG LEU 55 -1.767 -3.373 -12.262 369 1HD1 LEU 55 1HD1 LEU 55 -3.752 -5.448 -13.111 370 2HD1 LEU 55 2HD1 LEU 55 -3.691 -4.701 -11.512 371 3HD1 LEU 55 3HD1 LEU 55 -2.334 -5.676 -12.080 372 1HD2 LEU 55 1HD2 LEU 55 -1.002 -4.882 -14.026 373 2HD2 LEU 55 2HD2 LEU 55 -1.157 -3.208 -14.564 374 3HD2 LEU 55 3HD2 LEU 55 -2.388 -4.389 -15.001 375 H GLN 56 H GLN 56 -4.025 -1.108 -15.540 376 HA GLN 56 HA GLN 56 -6.125 0.692 -14.588 377 1HB GLN 56 1HB GLN 56 -4.357 1.990 -15.847 378 2HB GLN 56 2HB GLN 56 -4.743 1.016 -17.259 379 1HG GLN 56 1HG GLN 56 -7.131 1.823 -16.977 380 2HG GLN 56 2HG GLN 56 -6.480 3.005 -15.842 381 1HE2 GLN 56 1HE2 GLN 56 -6.671 1.990 -19.133 382 2HE2 GLN 56 2HE2 GLN 56 -5.977 3.417 -19.840 383 H ASP 57 H ASP 57 -8.047 0.565 -15.988 384 HA ASP 57 HA ASP 57 -8.572 -2.111 -16.772 385 1HB ASP 57 1HB ASP 57 -10.766 -1.237 -17.496 386 2HB ASP 57 2HB ASP 57 -10.364 -0.761 -15.855 387 H GLY 58 H GLY 58 -8.482 -3.024 -18.672 388 1HA GLY 58 1HA GLY 58 -8.355 -3.178 -21.010 389 2HA GLY 58 2HA GLY 58 -8.152 -1.437 -21.093 390 H ASP 59 H ASP 59 -5.970 -2.150 -18.844 391 HA ASP 59 HA ASP 59 -3.806 -2.058 -20.722 392 1HB ASP 59 1HB ASP 59 -4.048 -1.122 -18.215 393 2HB ASP 59 2HB ASP 59 -3.240 -2.649 -17.869 394 H THR 60 H THR 60 -1.898 -3.524 -20.422 395 HA THR 60 HA THR 60 -2.840 -6.289 -20.482 396 HB THR 60 HB THR 60 -0.160 -5.196 -21.351 397 HG1 THR 60 HG1 THR 60 -1.020 -5.209 -23.439 398 1HG2 THR 60 1HG2 THR 60 -0.163 -7.599 -20.856 399 2HG2 THR 60 2HG2 THR 60 0.039 -7.298 -22.582 400 3HG2 THR 60 3HG2 THR 60 -1.524 -7.822 -21.956 401 H ILE 61 H ILE 61 -2.046 -7.863 -19.126 402 HA ILE 61 HA ILE 61 -0.142 -6.944 -17.081 403 HB ILE 61 HB ILE 61 -1.264 -8.158 -15.359 404 1HG1 ILE 61 1HG1 ILE 61 -3.667 -9.097 -16.114 405 2HG1 ILE 61 2HG1 ILE 61 -2.780 -9.375 -17.610 406 1HG2 ILE 61 1HG2 ILE 61 -3.317 -6.624 -16.937 407 2HG2 ILE 61 2HG2 ILE 61 -2.101 -5.927 -15.872 408 3HG2 ILE 61 3HG2 ILE 61 -3.362 -6.962 -15.205 409 1HD1 ILE 61 1HD1 ILE 61 -2.037 -10.424 -14.886 410 2HD1 ILE 61 2HD1 ILE 61 -1.127 -10.688 -16.374 411 3HD1 ILE 61 3HD1 ILE 61 -2.754 -11.349 -16.207 412 H THR 62 H THR 62 1.036 -8.733 -16.038 413 HA THR 62 HA THR 62 0.992 -11.281 -17.424 414 HB THR 62 HB THR 62 3.278 -9.352 -17.463 415 HG1 THR 62 HG1 THR 62 1.673 -10.107 -19.247 416 1HG2 THR 62 1HG2 THR 62 4.839 -11.170 -17.989 417 2HG2 THR 62 2HG2 THR 62 3.582 -12.350 -17.613 418 3HG2 THR 62 3HG2 THR 62 4.217 -11.300 -16.343 419 H VAL 63 H VAL 63 0.909 -12.769 -15.915 420 HA VAL 63 HA VAL 63 1.428 -12.355 -13.187 421 HB VAL 63 HB VAL 63 0.117 -14.283 -14.492 422 1HG1 VAL 63 1HG1 VAL 63 2.005 -15.314 -15.521 423 2HG1 VAL 63 2HG1 VAL 63 1.319 -16.415 -14.326 424 3HG1 VAL 63 3HG1 VAL 63 2.794 -15.515 -13.957 425 1HG2 VAL 63 1HG2 VAL 63 0.086 -15.588 -12.436 426 2HG2 VAL 63 2HG2 VAL 63 -0.009 -13.859 -12.094 427 3HG2 VAL 63 3HG2 VAL 63 1.513 -14.725 -11.862 428 H ILE 64 H ILE 64 3.353 -12.229 -12.157 429 HA ILE 64 HA ILE 64 5.693 -13.084 -13.611 430 HB ILE 64 HB ILE 64 7.006 -11.817 -12.035 431 1HG1 ILE 64 1HG1 ILE 64 5.240 -12.320 -10.119 432 2HG1 ILE 64 2HG1 ILE 64 6.266 -10.897 -10.060 433 1HG2 ILE 64 1HG2 ILE 64 4.569 -10.344 -13.002 434 2HG2 ILE 64 2HG2 ILE 64 6.048 -10.655 -13.914 435 3HG2 ILE 64 3HG2 ILE 64 6.086 -9.586 -12.510 436 1HD1 ILE 64 1HD1 ILE 64 3.387 -11.024 -10.917 437 2HD1 ILE 64 2HD1 ILE 64 4.398 -9.578 -11.002 438 3HD1 ILE 64 3HD1 ILE 64 4.032 -10.312 -9.440 439 H LYS 65 H LYS 65 3.854 -15.092 -11.983 440 HA LYS 65 HA LYS 65 6.116 -16.387 -10.754 441 1HB LYS 65 1HB LYS 65 3.674 -15.456 -9.326 442 2HB LYS 65 2HB LYS 65 4.214 -17.088 -8.972 443 1HG LYS 65 1HG LYS 65 5.211 -15.796 -7.325 444 2HG LYS 65 2HG LYS 65 6.499 -16.027 -8.507 445 1HD LYS 65 1HD LYS 65 6.025 -13.816 -9.441 446 2HD LYS 65 2HD LYS 65 4.746 -13.587 -8.248 447 1HE LYS 65 1HE LYS 65 7.665 -14.012 -7.622 448 2HE LYS 65 2HE LYS 65 6.841 -12.455 -7.619 449 1HZ LYS 65 1HZ LYS 65 7.029 -13.349 -5.390 450 2HZ LYS 65 2HZ LYS 65 6.206 -14.758 -5.851 451 3HZ LYS 65 3HZ LYS 65 5.399 -13.268 -5.849 452 H ASP 66 H ASP 66 5.718 -18.669 -10.556 453 HA ASP 66 HA ASP 66 3.863 -19.724 -12.473 454 1HB ASP 66 1HB ASP 66 4.685 -21.964 -11.832 455 2HB ASP 66 2HB ASP 66 5.991 -20.858 -12.232 456 H LEU 67 H LEU 67 1.856 -19.930 -12.184 457 HA LEU 67 HA LEU 67 0.815 -21.089 -9.686 458 1HB LEU 67 1HB LEU 67 -0.781 -19.178 -11.372 459 2HB LEU 67 2HB LEU 67 -1.080 -19.689 -9.726 460 HG LEU 67 HG LEU 67 1.104 -17.809 -10.622 461 1HD1 LEU 67 1HD1 LEU 67 -1.442 -17.322 -9.086 462 2HD1 LEU 67 2HD1 LEU 67 -1.116 -16.825 -10.747 463 3HD1 LEU 67 3HD1 LEU 67 -0.190 -16.125 -9.418 464 1HD2 LEU 67 1HD2 LEU 67 1.853 -19.075 -8.724 465 2HD2 LEU 67 2HD2 LEU 67 0.329 -18.787 -7.880 466 3HD2 LEU 67 3HD2 LEU 67 1.429 -17.444 -8.198 467 H LYS 68 H LYS 68 -0.671 -22.736 -10.034 468 HA LYS 68 HA LYS 68 -1.215 -23.491 -12.790 469 1HB LYS 68 1HB LYS 68 -2.047 -25.574 -11.914 470 2HB LYS 68 2HB LYS 68 -0.494 -25.204 -11.179 471 1HG LYS 68 1HG LYS 68 -1.552 -24.483 -9.151 472 2HG LYS 68 2HG LYS 68 -3.150 -24.673 -9.876 473 1HD LYS 68 1HD LYS 68 -2.564 -26.557 -8.414 474 2HD LYS 68 2HD LYS 68 -2.798 -27.056 -10.090 475 1HE LYS 68 1HE LYS 68 -0.447 -27.206 -10.457 476 2HE LYS 68 2HE LYS 68 -0.100 -26.449 -8.900 477 1HZ LYS 68 1HZ LYS 68 -1.098 -28.373 -7.801 478 2HZ LYS 68 2HZ LYS 68 0.218 -28.822 -8.765 479 3HZ LYS 68 3HZ LYS 68 -1.363 -29.109 -9.307 480 H VAL 69 H VAL 69 -3.577 -24.610 -12.949 481 HA VAL 69 HA VAL 69 -5.549 -22.711 -11.915 482 HB VAL 69 HB VAL 69 -5.589 -23.806 -14.750 483 1HG1 VAL 69 1HG1 VAL 69 -7.400 -21.840 -13.350 484 2HG1 VAL 69 2HG1 VAL 69 -7.806 -23.495 -13.803 485 3HG1 VAL 69 3HG1 VAL 69 -7.492 -22.291 -15.052 486 1HG2 VAL 69 1HG2 VAL 69 -5.222 -21.486 -15.470 487 2HG2 VAL 69 2HG2 VAL 69 -3.858 -22.106 -14.539 488 3HG2 VAL 69 3HG2 VAL 69 -5.011 -21.002 -13.787 489 H LYS 70 H LYS 70 -7.273 -23.803 -11.015 490 HA LYS 70 HA LYS 70 -6.847 -26.633 -10.758 491 1HB LYS 70 1HB LYS 70 -8.700 -26.448 -9.049 492 2HB LYS 70 2HB LYS 70 -7.241 -25.527 -8.722 493 1HG LYS 70 1HG LYS 70 -8.453 -23.541 -9.748 494 2HG LYS 70 2HG LYS 70 -9.913 -24.524 -9.643 495 1HD LYS 70 1HD LYS 70 -9.679 -24.702 -7.254 496 2HD LYS 70 2HD LYS 70 -8.116 -23.883 -7.307 497 1HE LYS 70 1HE LYS 70 -9.281 -21.886 -8.248 498 2HE LYS 70 2HE LYS 70 -10.814 -22.712 -7.971 499 1HZ LYS 70 1HZ LYS 70 -10.252 -22.820 -5.601 500 2HZ LYS 70 2HZ LYS 70 -10.330 -21.222 -6.162 501 3HZ LYS 70 3HZ LYS 70 -8.824 -21.954 -5.900 502 H GLY 71 H GLY 71 -9.520 -24.584 -11.931 503 1HA GLY 71 1HA GLY 71 -11.154 -26.899 -12.482 504 2HA GLY 71 2HA GLY 71 -11.528 -25.234 -12.900 505 H SER 72 H SER 72 -8.854 -25.019 -14.216 506 HA SER 72 HA SER 72 -9.727 -26.224 -16.755 507 1HB SER 72 1HB SER 72 -8.209 -23.686 -16.166 508 2HB SER 72 2HB SER 72 -8.374 -24.348 -17.789 509 HG SER 72 HG SER 72 -10.566 -24.048 -17.691 510 H SER 73 H SER 73 -8.003 -26.695 -18.351 511 HA SER 73 HA SER 73 -5.733 -28.019 -17.105 512 1HB SER 73 1HB SER 73 -6.988 -29.135 -18.938 513 2HB SER 73 2HB SER 73 -6.522 -27.832 -20.030 514 HG SER 73 HG SER 73 -4.269 -28.521 -19.194 515 H LEU 74 H LEU 74 -6.324 -25.023 -17.610 516 HA LEU 74 HA LEU 74 -4.074 -24.068 -19.072 517 1HB LEU 74 1HB LEU 74 -6.134 -22.797 -17.306 518 2HB LEU 74 2HB LEU 74 -4.740 -21.886 -17.838 519 HG LEU 74 HG LEU 74 -6.642 -21.411 -19.259 520 1HD1 LEU 74 1HD1 LEU 74 -4.572 -23.078 -20.669 521 2HD1 LEU 74 2HD1 LEU 74 -4.462 -21.357 -20.302 522 3HD1 LEU 74 3HD1 LEU 74 -5.676 -21.941 -21.443 523 1HD2 LEU 74 1HD2 LEU 74 -6.669 -24.361 -19.875 524 2HD2 LEU 74 2HD2 LEU 74 -7.644 -23.131 -20.680 525 3HD2 LEU 74 3HD2 LEU 74 -7.894 -23.473 -18.968 526 H VAL 75 H VAL 75 -2.795 -22.192 -17.558 527 HA VAL 75 HA VAL 75 -1.587 -23.327 -15.367 528 HB VAL 75 HB VAL 75 -0.113 -23.814 -17.965 529 1HG1 VAL 75 1HG1 VAL 75 1.784 -24.520 -16.580 530 2HG1 VAL 75 2HG1 VAL 75 0.893 -24.060 -15.128 531 3HG1 VAL 75 3HG1 VAL 75 1.379 -22.826 -16.294 532 1HG2 VAL 75 1HG2 VAL 75 -1.668 -25.600 -17.318 533 2HG2 VAL 75 2HG2 VAL 75 -0.872 -25.714 -15.744 534 3HG2 VAL 75 3HG2 VAL 75 0.011 -26.134 -17.217 535 H VAL 76 H VAL 76 -0.910 -21.518 -14.432 536 HA VAL 76 HA VAL 76 -0.606 -19.156 -16.117 537 HB VAL 76 HB VAL 76 -0.996 -19.404 -13.129 538 1HG1 VAL 76 1HG1 VAL 76 -0.933 -16.949 -14.855 539 2HG1 VAL 76 2HG1 VAL 76 0.292 -17.430 -13.680 540 3HG1 VAL 76 3HG1 VAL 76 -1.332 -17.005 -13.136 541 1HG2 VAL 76 1HG2 VAL 76 -2.874 -18.518 -15.308 542 2HG2 VAL 76 2HG2 VAL 76 -3.218 -18.492 -13.578 543 3HG2 VAL 76 3HG2 VAL 76 -2.965 -20.030 -14.406 544 H LYS 77 H LYS 77 1.399 -19.147 -16.842 545 HA LYS 77 HA LYS 77 3.604 -19.626 -14.959 546 1HB LYS 77 1HB LYS 77 5.023 -19.888 -17.038 547 2HB LYS 77 2HB LYS 77 3.820 -21.131 -16.749 548 1HG LYS 77 1HG LYS 77 3.731 -20.711 -19.045 549 2HG LYS 77 2HG LYS 77 2.338 -19.860 -18.379 550 1HD LYS 77 1HD LYS 77 3.428 -17.760 -18.561 551 2HD LYS 77 2HD LYS 77 4.982 -18.524 -18.896 552 1HE LYS 77 1HE LYS 77 4.032 -17.624 -20.940 553 2HE LYS 77 2HE LYS 77 4.085 -19.383 -21.016 554 1HZ LYS 77 1HZ LYS 77 1.709 -19.381 -20.349 555 2HZ LYS 77 2HZ LYS 77 1.999 -18.655 -21.854 556 3HZ LYS 77 3HZ LYS 77 1.705 -17.691 -20.495 557 H VAL 78 H VAL 78 5.309 -18.224 -14.718 558 HA VAL 78 HA VAL 78 4.871 -15.503 -14.765 559 HB VAL 78 HB VAL 78 6.679 -16.317 -13.455 560 1HG1 VAL 78 1HG1 VAL 78 7.277 -18.280 -14.742 561 2HG1 VAL 78 2HG1 VAL 78 8.712 -17.313 -14.398 562 3HG1 VAL 78 3HG1 VAL 78 7.980 -17.265 -16.002 563 1HG2 VAL 78 1HG2 VAL 78 7.819 -14.691 -15.725 564 2HG2 VAL 78 2HG2 VAL 78 8.565 -14.900 -14.140 565 3HG2 VAL 78 3HG2 VAL 78 7.020 -14.064 -14.284 566 H GLY 79 H GLY 79 4.044 -14.675 -16.591 567 1HA GLY 79 1HA GLY 79 5.111 -13.303 -18.510 568 2HA GLY 79 2HA GLY 79 5.575 -14.897 -19.099 569 H THR 80 H THR 80 2.824 -15.248 -17.508 570 HA THR 80 HA THR 80 1.174 -15.768 -19.748 571 HB THR 80 HB THR 80 0.256 -15.269 -16.909 572 HG1 THR 80 HG1 THR 80 1.634 -17.068 -17.086 573 1HG2 THR 80 1HG2 THR 80 -1.779 -16.473 -17.580 574 2HG2 THR 80 2HG2 THR 80 -1.178 -16.557 -19.237 575 3HG2 THR 80 3HG2 THR 80 -1.569 -14.995 -18.520 576 H LYS 81 H LYS 81 0.746 -14.267 -21.117 577 HA LYS 81 HA LYS 81 0.356 -11.527 -20.212 578 1HB LYS 81 1HB LYS 81 1.848 -11.924 -22.126 579 2HB LYS 81 2HB LYS 81 0.497 -12.572 -23.048 580 1HG LYS 81 1HG LYS 81 -0.637 -10.366 -22.810 581 2HG LYS 81 2HG LYS 81 0.832 -9.750 -22.054 582 1HD LYS 81 1HD LYS 81 0.792 -9.150 -24.395 583 2HD LYS 81 2HD LYS 81 2.086 -10.311 -24.099 584 1HE LYS 81 1HE LYS 81 0.653 -12.112 -24.930 585 2HE LYS 81 2HE LYS 81 -0.637 -10.946 -25.223 586 1HZ LYS 81 1HZ LYS 81 2.023 -10.981 -26.548 587 2HZ LYS 81 2HZ LYS 81 0.822 -9.811 -26.805 588 3HZ LYS 81 3HZ LYS 81 0.544 -11.420 -27.254 589 H VAL 82 H VAL 82 -1.597 -10.861 -19.675 590 HA VAL 82 HA VAL 82 -3.824 -11.596 -21.434 591 HB VAL 82 HB VAL 82 -4.036 -11.087 -18.458 592 1HG1 VAL 82 1HG1 VAL 82 -6.012 -10.422 -19.672 593 2HG1 VAL 82 2HG1 VAL 82 -6.339 -11.892 -18.753 594 3HG1 VAL 82 3HG1 VAL 82 -6.068 -11.981 -20.493 595 1HG2 VAL 82 1HG2 VAL 82 -4.218 -13.701 -19.951 596 2HG2 VAL 82 2HG2 VAL 82 -4.547 -13.470 -18.232 597 3HG2 VAL 82 3HG2 VAL 82 -2.919 -13.214 -18.863 598 H LYS 83 H LYS 83 -4.395 -9.865 -22.506 599 HA LYS 83 HA LYS 83 -3.780 -7.228 -21.465 600 1HB LYS 83 1HB LYS 83 -4.103 -6.449 -23.751 601 2HB LYS 83 2HB LYS 83 -2.967 -7.790 -23.706 602 1HG LYS 83 1HG LYS 83 -4.828 -9.306 -24.367 603 2HG LYS 83 2HG LYS 83 -5.852 -7.882 -24.563 604 1HD LYS 83 1HD LYS 83 -3.313 -8.505 -26.072 605 2HD LYS 83 2HD LYS 83 -4.959 -8.552 -26.707 606 1HE LYS 83 1HE LYS 83 -5.178 -6.146 -26.312 607 2HE LYS 83 2HE LYS 83 -3.533 -6.099 -25.681 608 1HZ LYS 83 1HZ LYS 83 -2.767 -6.895 -27.871 609 2HZ LYS 83 2HZ LYS 83 -3.526 -5.381 -27.943 610 3HZ LYS 83 3HZ LYS 83 -4.356 -6.771 -28.454 611 H ASN 84 H ASN 84 -5.316 -5.480 -21.731 612 HA ASN 84 HA ASN 84 -7.312 -4.465 -21.601 613 1HB ASN 84 1HB ASN 84 -8.266 -6.960 -23.012 614 2HB ASN 84 2HB ASN 84 -9.250 -5.520 -22.768 615 1HD2 ASN 84 1HD2 ASN 84 -8.371 -6.815 -25.232 616 2HD2 ASN 84 2HD2 ASN 84 -7.508 -5.607 -26.126 617 H ILE 85 H ILE 85 -6.482 -5.751 -19.214 618 HA ILE 85 HA ILE 85 -8.412 -7.426 -18.106 619 HB ILE 85 HB ILE 85 -7.388 -6.807 -15.963 620 1HG1 ILE 85 1HG1 ILE 85 -5.681 -4.830 -17.493 621 2HG1 ILE 85 2HG1 ILE 85 -7.151 -4.339 -16.664 622 1HG2 ILE 85 1HG2 ILE 85 -5.093 -7.479 -16.497 623 2HG2 ILE 85 2HG2 ILE 85 -5.394 -7.140 -18.201 624 3HG2 ILE 85 3HG2 ILE 85 -6.276 -8.435 -17.390 625 1HD1 ILE 85 1HD1 ILE 85 -5.189 -3.873 -15.311 626 2HD1 ILE 85 2HD1 ILE 85 -4.718 -5.570 -15.372 627 3HD1 ILE 85 3HD1 ILE 85 -6.199 -5.096 -14.542 628 H ARG 86 H ARG 86 -9.474 -6.754 -16.014 629 HA ARG 86 HA ARG 86 -10.859 -4.165 -16.222 630 1HB ARG 86 1HB ARG 86 -12.436 -5.800 -16.993 631 2HB ARG 86 2HB ARG 86 -12.007 -6.913 -15.703 632 1HG ARG 86 1HG ARG 86 -14.090 -6.034 -15.099 633 2HG ARG 86 2HG ARG 86 -12.921 -5.174 -14.096 634 1HD ARG 86 1HD ARG 86 -14.529 -3.610 -14.949 635 2HD ARG 86 2HD ARG 86 -12.970 -3.307 -15.719 636 HE ARG 86 HE ARG 86 -14.708 -5.068 -17.209 637 1HH1 ARG 86 1HH1 ARG 86 -13.808 -1.719 -16.644 638 2HH1 ARG 86 2HH1 ARG 86 -14.395 -1.183 -18.197 639 1HH2 ARG 86 1HH2 ARG 86 -15.462 -4.368 -19.219 640 2HH2 ARG 86 2HH2 ARG 86 -15.311 -2.695 -19.671 641 H LEU 87 H LEU 87 -10.739 -3.015 -14.330 642 HA LEU 87 HA LEU 87 -9.637 -4.267 -11.979 643 1HB LEU 87 1HB LEU 87 -10.788 -1.487 -12.287 644 2HB LEU 87 2HB LEU 87 -9.755 -2.055 -10.990 645 HG LEU 87 HG LEU 87 -8.930 -1.734 -13.874 646 1HD1 LEU 87 1HD1 LEU 87 -9.278 0.406 -12.764 647 2HD1 LEU 87 2HD1 LEU 87 -7.565 0.117 -13.065 648 3HD1 LEU 87 3HD1 LEU 87 -8.224 -0.100 -11.443 649 1HD2 LEU 87 1HD2 LEU 87 -6.668 -2.179 -13.074 650 2HD2 LEU 87 2HD2 LEU 87 -7.734 -3.556 -12.790 651 3HD2 LEU 87 3HD2 LEU 87 -7.299 -2.487 -11.456 652 H VAL 88 H VAL 88 -10.883 -5.423 -10.655 653 HA VAL 88 HA VAL 88 -13.774 -5.147 -10.876 654 HB VAL 88 HB VAL 88 -12.788 -7.127 -8.950 655 1HG1 VAL 88 1HG1 VAL 88 -14.614 -7.240 -11.346 656 2HG1 VAL 88 2HG1 VAL 88 -15.090 -7.070 -9.655 657 3HG1 VAL 88 3HG1 VAL 88 -14.348 -8.568 -10.215 658 1HG2 VAL 88 1HG2 VAL 88 -12.022 -7.358 -11.856 659 2HG2 VAL 88 2HG2 VAL 88 -12.015 -8.699 -10.710 660 3HG2 VAL 88 3HG2 VAL 88 -10.937 -7.324 -10.462 661 H ASP 89 H ASP 89 -14.890 -5.704 -8.613 662 HA ASP 89 HA ASP 89 -14.346 -3.376 -7.004 663 1HB ASP 89 1HB ASP 89 -16.365 -5.538 -6.494 664 2HB ASP 89 2HB ASP 89 -16.338 -3.925 -5.804 665 H GLY 90 H GLY 90 -12.264 -4.077 -6.307 666 1HA GLY 90 1HA GLY 90 -12.206 -4.852 -3.646 667 2HA GLY 90 2HA GLY 90 -11.843 -6.283 -4.607 668 H ASP 91 H ASP 91 -9.791 -5.808 -3.192 669 HA ASP 91 HA ASP 91 -8.018 -3.940 -4.603 670 1HB ASP 91 1HB ASP 91 -6.539 -4.115 -2.704 671 2HB ASP 91 2HB ASP 91 -8.169 -3.841 -2.100 672 H HIS 92 H HIS 92 -8.618 -7.270 -4.028 673 HA HIS 92 HA HIS 92 -6.064 -8.069 -5.236 674 1HB HIS 92 1HB HIS 92 -6.485 -10.290 -4.166 675 2HB HIS 92 2HB HIS 92 -6.291 -8.974 -3.016 676 HD1 HIS 92 HD1 HIS 92 -8.527 -8.124 -1.821 677 HD2 HIS 92 HD2 HIS 92 -8.852 -11.664 -3.993 678 HE1 HIS 92 HE1 HIS 92 -10.651 -9.220 -1.033 679 HE2 HIS 92 HE2 HIS 92 -10.732 -11.439 -2.231 680 H ASP 93 H ASP 93 -7.383 -7.437 -7.318 681 HA ASP 93 HA ASP 93 -9.083 -9.539 -8.173 682 1HB ASP 93 1HB ASP 93 -10.399 -6.958 -7.348 683 2HB ASP 93 2HB ASP 93 -11.178 -8.156 -8.376 684 H ILE 94 H ILE 94 -7.747 -9.551 -9.962 685 HA ILE 94 HA ILE 94 -8.355 -7.401 -11.884 686 HB ILE 94 HB ILE 94 -6.257 -9.553 -12.150 687 1HG1 ILE 94 1HG1 ILE 94 -4.901 -7.182 -12.036 688 2HG1 ILE 94 2HG1 ILE 94 -6.192 -6.915 -10.865 689 1HG2 ILE 94 1HG2 ILE 94 -6.812 -7.102 -13.802 690 2HG2 ILE 94 2HG2 ILE 94 -7.051 -8.782 -14.286 691 3HG2 ILE 94 3HG2 ILE 94 -5.422 -8.170 -13.996 692 1HD1 ILE 94 1HD1 ILE 94 -5.553 -8.946 -9.699 693 2HD1 ILE 94 2HD1 ILE 94 -4.206 -7.813 -9.811 694 3HD1 ILE 94 3HD1 ILE 94 -4.273 -9.216 -10.879 695 H ASP 95 H ASP 95 -10.049 -7.839 -13.089 696 HA ASP 95 HA ASP 95 -10.699 -10.618 -13.629 697 1HB ASP 95 1HB ASP 95 -12.451 -9.072 -12.831 698 2HB ASP 95 2HB ASP 95 -12.225 -8.086 -14.269 699 H CYS 96 H CYS 96 -10.663 -11.521 -15.604 700 HA CYS 96 HA CYS 96 -9.876 -9.848 -17.861 701 1HB CYS 96 1HB CYS 96 -8.140 -11.526 -18.508 702 2HB CYS 96 2HB CYS 96 -7.759 -10.623 -17.046 703 HG CYS 96 HG CYS 96 -9.001 -12.947 -15.566 704 H LYS 97 H LYS 97 -10.511 -10.598 -19.830 705 HA LYS 97 HA LYS 97 -12.384 -12.856 -19.766 706 1HB LYS 97 1HB LYS 97 -13.457 -10.729 -20.300 707 2HB LYS 97 2HB LYS 97 -12.293 -10.436 -21.582 708 1HG LYS 97 1HG LYS 97 -13.166 -12.257 -22.871 709 2HG LYS 97 2HG LYS 97 -14.234 -12.731 -21.548 710 1HD LYS 97 1HD LYS 97 -15.536 -10.757 -21.777 711 2HD LYS 97 2HD LYS 97 -14.360 -10.032 -22.877 712 1HE LYS 97 1HE LYS 97 -15.871 -12.563 -23.491 713 2HE LYS 97 2HE LYS 97 -16.435 -10.959 -23.961 714 1HZ LYS 97 1HZ LYS 97 -13.746 -11.948 -24.713 715 2HZ LYS 97 2HZ LYS 97 -14.634 -10.670 -25.395 716 3HZ LYS 97 3HZ LYS 97 -15.114 -12.275 -25.661 717 H ILE 98 H ILE 98 -11.846 -14.612 -20.925 718 HA ILE 98 HA ILE 98 -9.534 -14.351 -22.728 719 HB ILE 98 HB ILE 98 -10.060 -16.664 -20.851 720 1HG1 ILE 98 1HG1 ILE 98 -7.767 -14.728 -20.634 721 2HG1 ILE 98 2HG1 ILE 98 -9.313 -14.378 -19.868 722 1HG2 ILE 98 1HG2 ILE 98 -7.836 -17.419 -21.535 723 2HG2 ILE 98 2HG2 ILE 98 -7.703 -16.045 -22.633 724 3HG2 ILE 98 3HG2 ILE 98 -8.918 -17.290 -22.923 725 1HD1 ILE 98 1HD1 ILE 98 -7.744 -15.388 -18.315 726 2HD1 ILE 98 2HD1 ILE 98 -7.618 -16.806 -19.357 727 3HD1 ILE 98 3HD1 ILE 98 -9.152 -16.418 -18.576 728 H ASP 99 H ASP 99 -10.338 -14.688 -24.692 729 HA ASP 99 HA ASP 99 -12.744 -16.064 -25.215 730 1HB ASP 99 1HB ASP 99 -11.627 -14.340 -26.725 731 2HB ASP 99 2HB ASP 99 -10.541 -15.640 -27.215 732 H GLY 100 H GLY 100 -13.060 -18.148 -25.073 733 1HA GLY 100 1HA GLY 100 -12.274 -20.190 -26.374 734 2HA GLY 100 2HA GLY 100 -10.772 -19.939 -25.504 735 H ILE 101 H ILE 101 -11.139 -19.644 -23.067 736 HA ILE 101 HA ILE 101 -12.766 -21.900 -22.179 737 HB ILE 101 HB ILE 101 -11.536 -21.649 -20.016 738 1HG1 ILE 101 1HG1 ILE 101 -9.862 -19.661 -21.574 739 2HG1 ILE 101 2HG1 ILE 101 -10.949 -19.254 -20.252 740 1HG2 ILE 101 1HG2 ILE 101 -9.880 -22.059 -22.501 741 2HG2 ILE 101 2HG2 ILE 101 -10.816 -23.280 -21.638 742 3HG2 ILE 101 3HG2 ILE 101 -9.402 -22.550 -20.876 743 1HD1 ILE 101 1HD1 ILE 101 -8.633 -19.307 -19.524 744 2HD1 ILE 101 2HD1 ILE 101 -8.500 -20.988 -20.040 745 3HD1 ILE 101 3HD1 ILE 101 -9.582 -20.554 -18.716 746 H GLY 102 H GLY 102 -12.160 -18.495 -21.347 747 1HA GLY 102 1HA GLY 102 -14.550 -17.417 -21.136 748 2HA GLY 102 2HA GLY 102 -14.579 -18.461 -19.719 749 H ALA 103 H ALA 103 -14.821 -16.450 -18.531 750 HA ALA 103 HA ALA 103 -12.546 -14.653 -18.456 751 1HB ALA 103 1HB ALA 103 -14.827 -13.774 -18.275 752 2HB ALA 103 2HB ALA 103 -13.856 -13.371 -16.859 753 3HB ALA 103 3HB ALA 103 -15.048 -14.668 -16.772 754 H MET 104 H MET 104 -11.232 -14.276 -16.625 755 HA MET 104 HA MET 104 -11.327 -16.317 -14.525 756 1HB MET 104 1HB MET 104 -9.795 -17.161 -16.273 757 2HB MET 104 2HB MET 104 -8.835 -15.696 -16.120 758 1HG MET 104 1HG MET 104 -8.187 -16.258 -13.902 759 2HG MET 104 2HG MET 104 -9.323 -17.607 -13.853 760 1HE MET 104 1HE MET 104 -9.027 -19.831 -15.331 761 2HE MET 104 2HE MET 104 -7.700 -20.066 -16.471 762 3HE MET 104 3HE MET 104 -8.923 -18.835 -16.783 763 H LYS 105 H LYS 105 -10.001 -15.769 -12.658 764 HA LYS 105 HA LYS 105 -9.676 -12.858 -12.369 765 1HB LYS 105 1HB LYS 105 -10.497 -14.868 -10.266 766 2HB LYS 105 2HB LYS 105 -10.396 -13.122 -10.058 767 1HG LYS 105 1HG LYS 105 -12.312 -12.727 -11.221 768 2HG LYS 105 2HG LYS 105 -12.129 -14.166 -12.227 769 1HD LYS 105 1HD LYS 105 -12.637 -15.534 -10.199 770 2HD LYS 105 2HD LYS 105 -13.031 -14.030 -9.358 771 1HE LYS 105 1HE LYS 105 -14.699 -13.552 -11.146 772 2HE LYS 105 2HE LYS 105 -14.368 -15.147 -11.818 773 1HZ LYS 105 1HZ LYS 105 -15.769 -14.419 -9.349 774 2HZ LYS 105 2HZ LYS 105 -14.934 -15.893 -9.393 775 3HZ LYS 105 3HZ LYS 105 -16.170 -15.587 -10.515 776 H LEU 106 H LEU 106 -7.821 -12.132 -11.447 777 HA LEU 106 HA LEU 106 -5.750 -14.168 -10.991 778 1HB LEU 106 1HB LEU 106 -5.403 -11.445 -12.238 779 2HB LEU 106 2HB LEU 106 -4.168 -12.677 -12.056 780 HG LEU 106 HG LEU 106 -6.639 -12.974 -13.774 781 1HD1 LEU 106 1HD1 LEU 106 -3.797 -12.324 -14.526 782 2HD1 LEU 106 2HD1 LEU 106 -5.183 -11.236 -14.631 783 3HD1 LEU 106 3HD1 LEU 106 -5.106 -12.672 -15.656 784 1HD2 LEU 106 1HD2 LEU 106 -5.479 -14.919 -14.683 785 2HD2 LEU 106 2HD2 LEU 106 -5.735 -15.097 -12.949 786 3HD2 LEU 106 3HD2 LEU 106 -4.139 -14.664 -13.563 787 H LYS 107 H LYS 107 -4.350 -13.875 -9.389 788 HA LYS 107 HA LYS 107 -5.156 -12.211 -7.227 789 1HB LYS 107 1HB LYS 107 -2.656 -13.872 -7.490 790 2HB LYS 107 2HB LYS 107 -3.262 -13.163 -6.001 791 1HG LYS 107 1HG LYS 107 -5.414 -14.527 -6.564 792 2HG LYS 107 2HG LYS 107 -4.312 -15.475 -7.564 793 1HD LYS 107 1HD LYS 107 -4.393 -16.549 -5.452 794 2HD LYS 107 2HD LYS 107 -2.846 -15.701 -5.516 795 1HE LYS 107 1HE LYS 107 -3.814 -13.856 -4.223 796 2HE LYS 107 2HE LYS 107 -5.351 -14.716 -4.153 797 1HZ LYS 107 1HZ LYS 107 -4.268 -15.141 -2.129 798 2HZ LYS 107 2HZ LYS 107 -2.783 -15.461 -2.879 799 3HZ LYS 107 3HZ LYS 107 -4.066 -16.560 -3.039 800 H SER 108 H SER 108 -4.456 -10.355 -6.549 801 HA SER 108 HA SER 108 -3.184 -8.587 -8.290 802 1HB SER 108 1HB SER 108 -4.749 -7.815 -6.641 803 2HB SER 108 2HB SER 108 -3.755 -8.427 -5.325 804 HG SER 108 HG SER 108 -2.626 -6.564 -7.093 805 H GLU 109 H GLU 109 -1.904 -10.602 -5.703 806 HA GLU 109 HA GLU 109 0.590 -9.170 -5.659 807 1HB GLU 109 1HB GLU 109 1.240 -10.699 -3.926 808 2HB GLU 109 2HB GLU 109 -0.363 -10.055 -3.598 809 1HG GLU 109 1HG GLU 109 -0.162 -12.600 -5.078 810 2HG GLU 109 2HG GLU 109 0.211 -12.593 -3.365 811 H PHE 110 H PHE 110 -0.669 -11.454 -7.779 812 HA PHE 110 HA PHE 110 2.052 -12.489 -8.206 813 1HB PHE 110 1HB PHE 110 -0.646 -13.662 -8.769 814 2HB PHE 110 2HB PHE 110 0.807 -14.304 -9.513 815 HD1 PHE 110 HD1 PHE 110 2.797 -14.436 -7.558 816 HD2 PHE 110 HD2 PHE 110 -1.389 -14.969 -7.030 817 HE1 PHE 110 HE1 PHE 110 3.223 -15.796 -5.554 818 HE2 PHE 110 HE2 PHE 110 -0.972 -16.326 -5.025 819 HZ PHE 110 HZ PHE 110 1.339 -16.741 -4.283 820 H VAL 111 H VAL 111 0.270 -10.073 -9.412 821 HA VAL 111 HA VAL 111 0.876 -10.772 -12.204 822 HB VAL 111 HB VAL 111 -0.870 -9.167 -12.880 823 1HG1 VAL 111 1HG1 VAL 111 -1.753 -11.342 -10.988 824 2HG1 VAL 111 2HG1 VAL 111 -1.419 -11.513 -12.712 825 3HG1 VAL 111 3HG1 VAL 111 -2.792 -10.545 -12.171 826 1HG2 VAL 111 1HG2 VAL 111 -2.453 -8.330 -11.202 827 2HG2 VAL 111 2HG2 VAL 111 -0.827 -7.699 -10.944 828 3HG2 VAL 111 3HG2 VAL 111 -1.441 -8.999 -9.922 829 H ARG 112 H ARG 112 1.177 -8.834 -13.635 830 HA ARG 112 HA ARG 112 2.468 -6.548 -12.412 831 1HB ARG 112 1HB ARG 112 4.420 -7.769 -12.488 832 2HB ARG 112 2HB ARG 112 3.921 -8.686 -13.901 833 1HG ARG 112 1HG ARG 112 4.547 -7.014 -15.370 834 2HG ARG 112 2HG ARG 112 4.502 -5.763 -14.127 835 1HD ARG 112 1HD ARG 112 6.459 -6.754 -13.061 836 2HD ARG 112 2HD ARG 112 6.486 -8.014 -14.284 837 HE ARG 112 HE ARG 112 6.615 -5.640 -15.667 838 1HH1 ARG 112 1HH1 ARG 112 8.535 -7.191 -13.169 839 2HH1 ARG 112 2HH1 ARG 112 10.034 -6.512 -13.728 840 1HH2 ARG 112 1HH2 ARG 112 8.573 -4.749 -16.401 841 2HH2 ARG 112 2HH2 ARG 112 10.061 -5.140 -15.580 842 H LYS 113 H LYS 113 2.052 -4.770 -13.549 843 HA LYS 113 HA LYS 113 0.661 -4.771 -15.986 844 1HB LYS 113 1HB LYS 113 0.603 -2.869 -14.429 845 2HB LYS 113 2HB LYS 113 2.302 -2.548 -14.754 846 1HG LYS 113 1HG LYS 113 1.775 -2.099 -17.096 847 2HG LYS 113 2HG LYS 113 0.073 -2.422 -16.775 848 1HD LYS 113 1HD LYS 113 -0.006 -0.533 -15.235 849 2HD LYS 113 2HD LYS 113 1.711 -0.222 -15.518 850 1HE LYS 113 1HE LYS 113 1.276 0.230 -17.855 851 2HE LYS 113 2HE LYS 113 -0.423 -0.186 -17.647 852 1HZ LYS 113 1HZ LYS 113 -0.617 1.692 -16.097 853 2HZ LYS 113 2HZ LYS 113 -0.174 2.178 -17.660 854 3HZ LYS 113 3HZ LYS 113 0.991 2.126 -16.428 855 H VAL 114 H VAL 114 1.388 -5.285 -17.917 856 HA VAL 114 HA VAL 114 4.186 -5.114 -18.619 857 HB VAL 114 HB VAL 114 1.888 -5.692 -20.487 858 1HG1 VAL 114 1HG1 VAL 114 4.020 -5.222 -21.559 859 2HG1 VAL 114 2HG1 VAL 114 3.581 -6.918 -21.756 860 3HG1 VAL 114 3HG1 VAL 114 4.804 -6.457 -20.572 861 1HG2 VAL 114 1HG2 VAL 114 1.688 -7.205 -18.621 862 2HG2 VAL 114 2HG2 VAL 114 3.398 -7.625 -18.742 863 3HG2 VAL 114 3HG2 VAL 114 2.285 -8.075 -20.035 864 H GLY 115 H GLY 115 1.136 -3.563 -19.584 865 1HA GLY 115 1HA GLY 115 0.775 -1.461 -20.485 866 2HA GLY 115 2HA GLY 115 2.503 -1.151 -20.370 867 H SER 116 H SER 116 1.841 -4.078 -21.893 868 HA SER 116 HA SER 116 1.561 -3.019 -24.567 869 1HB SER 116 1HB SER 116 4.060 -4.543 -23.768 870 2HB SER 116 2HB SER 116 3.641 -4.035 -25.404 871 HG SER 116 HG SER 116 3.527 -1.917 -23.762 Start of MODEL 11 1 H MET 1 H MET 1 7.686 12.609 31.768 2 HA MET 1 HA MET 1 6.597 11.276 29.362 3 1HB MET 1 1HB MET 1 4.646 12.708 29.634 4 2HB MET 1 2HB MET 1 4.858 11.695 31.054 5 1HG MET 1 1HG MET 1 5.738 13.529 32.312 6 2HG MET 1 2HG MET 1 5.769 14.557 30.880 7 1HE MET 1 1HE MET 1 3.569 15.385 29.617 8 2HE MET 1 2HE MET 1 1.938 14.937 30.118 9 3HE MET 1 3HE MET 1 3.044 13.707 29.496 10 H VAL 2 H VAL 2 6.316 12.736 27.570 11 HA VAL 2 HA VAL 2 7.234 15.339 27.417 12 HB VAL 2 HB VAL 2 9.434 14.498 28.051 13 1HG1 VAL 2 1HG1 VAL 2 9.208 12.182 27.329 14 2HG1 VAL 2 2HG1 VAL 2 10.659 12.911 26.640 15 3HG1 VAL 2 3HG1 VAL 2 9.222 12.694 25.641 16 1HG2 VAL 2 1HG2 VAL 2 10.717 15.293 26.106 17 2HG2 VAL 2 2HG2 VAL 2 9.354 16.340 26.507 18 3HG2 VAL 2 3HG2 VAL 2 9.240 15.228 25.145 19 H SER 3 H SER 3 6.735 16.137 25.417 20 HA SER 3 HA SER 3 5.511 14.403 23.512 21 1HB SER 3 1HB SER 3 6.203 17.342 23.419 22 2HB SER 3 2HB SER 3 5.343 16.502 22.131 23 HG SER 3 HG SER 3 3.584 16.529 23.280 24 H THR 4 H THR 4 7.001 12.961 22.733 25 HA THR 4 HA THR 4 9.124 14.135 21.064 26 HB THR 4 HB THR 4 10.194 11.824 21.231 27 HG1 THR 4 HG1 THR 4 7.965 11.351 22.642 28 1HG2 THR 4 1HG2 THR 4 11.238 12.342 23.400 29 2HG2 THR 4 2HG2 THR 4 9.965 13.523 23.718 30 3HG2 THR 4 3HG2 THR 4 11.090 13.774 22.383 31 H LEU 5 H LEU 5 8.144 14.327 19.156 32 HA LEU 5 HA LEU 5 6.302 12.242 18.258 33 1HB LEU 5 1HB LEU 5 6.819 14.973 17.078 34 2HB LEU 5 2HB LEU 5 5.475 13.904 16.719 35 HG LEU 5 HG LEU 5 5.951 15.132 19.434 36 1HD1 LEU 5 1HD1 LEU 5 5.547 16.879 17.801 37 2HD1 LEU 5 2HD1 LEU 5 4.153 16.681 18.863 38 3HD1 LEU 5 3HD1 LEU 5 4.115 16.029 17.226 39 1HD2 LEU 5 1HD2 LEU 5 3.632 14.477 19.840 40 2HD2 LEU 5 2HD2 LEU 5 4.634 13.076 19.460 41 3HD2 LEU 5 3HD2 LEU 5 3.553 13.745 18.238 42 HA PRO 6 HA PRO 6 8.966 10.880 14.939 43 1HB PRO 6 1HB PRO 6 7.201 10.550 12.898 44 2HB PRO 6 2HB PRO 6 7.301 9.428 14.263 45 1HG PRO 6 1HG PRO 6 5.393 11.685 13.796 46 2HG PRO 6 2HG PRO 6 5.056 10.044 14.377 47 1HD PRO 6 1HD PRO 6 5.228 12.150 16.055 48 2HD PRO 6 2HD PRO 6 5.767 10.524 16.525 49 HA PRO 7 HA PRO 7 9.931 14.438 12.452 50 1HB PRO 7 1HB PRO 7 10.783 12.667 10.273 51 2HB PRO 7 2HB PRO 7 11.747 13.782 11.246 52 1HG PRO 7 1HG PRO 7 11.949 11.103 11.494 53 2HG PRO 7 2HG PRO 7 12.166 12.203 12.866 54 1HD PRO 7 1HD PRO 7 9.789 10.532 12.134 55 2HD PRO 7 2HD PRO 7 10.486 10.862 13.735 56 H CYS 8 H CYS 8 9.826 14.969 9.931 57 HA CYS 8 HA CYS 8 7.043 14.548 9.162 58 1HB CYS 8 1HB CYS 8 7.602 16.848 9.230 59 2HB CYS 8 2HB CYS 8 9.143 16.580 8.428 60 HA PRO 9 HA PRO 9 8.528 11.677 6.057 61 1HB PRO 9 1HB PRO 9 6.163 11.301 4.784 62 2HB PRO 9 2HB PRO 9 6.534 10.554 6.343 63 1HG PRO 9 1HG PRO 9 4.941 13.023 5.758 64 2HG PRO 9 2HG PRO 9 4.577 11.697 6.879 65 1HD PRO 9 1HD PRO 9 5.616 14.048 7.711 66 2HD PRO 9 2HD PRO 9 6.007 12.508 8.500 67 H GLN 10 H GLN 10 7.886 14.813 5.750 68 HA GLN 10 HA GLN 10 8.108 14.818 2.827 69 1HB GLN 10 1HB GLN 10 7.018 17.029 4.573 70 2HB GLN 10 2HB GLN 10 7.058 17.002 2.814 71 1HG GLN 10 1HG GLN 10 5.500 15.168 2.764 72 2HG GLN 10 2HG GLN 10 5.532 15.059 4.523 73 1HE2 GLN 10 1HE2 GLN 10 4.495 16.620 5.739 74 2HE2 GLN 10 2HE2 GLN 10 3.299 17.666 5.063 75 H CYS 11 H CYS 11 9.318 16.351 5.896 76 HA CYS 11 HA CYS 11 11.525 17.485 4.355 77 1HB CYS 11 1HB CYS 11 10.675 18.050 7.203 78 2HB CYS 11 2HB CYS 11 11.868 18.932 6.265 79 H ASN 12 H ASN 12 10.683 15.829 7.359 80 HA ASN 12 HA ASN 12 11.743 14.368 8.722 81 1HB ASN 12 1HB ASN 12 12.393 13.289 6.551 82 2HB ASN 12 2HB ASN 12 13.906 14.183 6.617 83 1HD2 ASN 12 1HD2 ASN 12 12.043 11.595 7.984 84 2HD2 ASN 12 2HD2 ASN 12 13.331 10.874 8.885 85 H SER 13 H SER 13 12.862 17.335 7.947 86 HA SER 13 HA SER 13 15.390 17.484 9.109 87 1HB SER 13 1HB SER 13 13.304 19.662 8.987 88 2HB SER 13 2HB SER 13 15.025 19.901 9.289 89 HG SER 13 HG SER 13 14.649 20.253 7.122 90 H GLU 14 H GLU 14 12.639 19.093 10.800 91 HA GLU 14 HA GLU 14 12.642 17.447 13.062 92 1HB GLU 14 1HB GLU 14 13.947 18.756 14.689 93 2HB GLU 14 2HB GLU 14 14.943 18.069 13.415 94 1HG GLU 14 1HG GLU 14 14.904 20.281 12.279 95 2HG GLU 14 2HG GLU 14 14.058 20.931 13.685 96 H TYR 15 H TYR 15 11.633 20.305 11.518 97 HA TYR 15 HA TYR 15 10.633 21.582 13.912 98 1HB TYR 15 1HB TYR 15 10.253 22.311 11.005 99 2HB TYR 15 2HB TYR 15 9.722 23.287 12.369 100 HD1 TYR 15 HD1 TYR 15 12.067 22.997 14.180 101 HD2 TYR 15 HD2 TYR 15 11.870 23.646 9.982 102 HE1 TYR 15 HE1 TYR 15 14.268 24.089 14.251 103 HE2 TYR 15 HE2 TYR 15 14.070 24.739 10.041 104 HH TYR 15 HH TYR 15 16.170 24.487 12.622 105 H THR 16 H THR 16 9.598 18.968 13.341 106 HA THR 16 HA THR 16 6.788 19.418 12.713 107 HB THR 16 HB THR 16 8.011 16.836 13.672 108 HG1 THR 16 HG1 THR 16 8.661 18.235 11.432 109 1HG2 THR 16 1HG2 THR 16 5.785 17.478 11.740 110 2HG2 THR 16 2HG2 THR 16 5.573 16.952 13.410 111 3HG2 THR 16 3HG2 THR 16 6.295 15.862 12.226 112 H TYR 17 H TYR 17 5.185 19.432 14.235 113 HA TYR 17 HA TYR 17 5.788 18.891 17.012 114 1HB TYR 17 1HB TYR 17 5.295 21.042 17.859 115 2HB TYR 17 2HB TYR 17 6.386 21.335 16.515 116 HD1 TYR 17 HD1 TYR 17 5.530 22.397 14.422 117 HD2 TYR 17 HD2 TYR 17 3.020 21.790 17.815 118 HE1 TYR 17 HE1 TYR 17 3.911 23.997 13.516 119 HE2 TYR 17 HE2 TYR 17 1.396 23.388 16.901 120 HH TYR 17 HH TYR 17 1.164 25.110 15.361 121 H GLU 18 H GLU 18 3.653 19.260 18.352 122 HA GLU 18 HA GLU 18 1.514 18.111 16.712 123 1HB GLU 18 1HB GLU 18 0.551 17.404 18.911 124 2HB GLU 18 2HB GLU 18 2.126 16.708 18.563 125 1HG GLU 18 1HG GLU 18 3.200 18.233 20.068 126 2HG GLU 18 2HG GLU 18 1.696 19.117 20.314 127 H ASP 19 H ASP 19 -0.156 19.383 16.153 128 HA ASP 19 HA ASP 19 -0.930 21.512 18.010 129 1HB ASP 19 1HB ASP 19 -0.114 22.425 15.882 130 2HB ASP 19 2HB ASP 19 -1.257 21.410 15.005 131 H GLY 20 H GLY 20 -2.164 19.831 19.095 132 1HA GLY 20 1HA GLY 20 -4.453 19.502 19.590 133 2HA GLY 20 2HA GLY 20 -4.823 19.697 17.884 134 H ALA 21 H ALA 21 -5.202 17.952 16.737 135 HA ALA 21 HA ALA 21 -4.896 15.368 18.117 136 1HB ALA 21 1HB ALA 21 -6.855 16.175 15.977 137 2HB ALA 21 2HB ALA 21 -7.192 16.093 17.706 138 3HB ALA 21 3HB ALA 21 -6.810 14.622 16.810 139 H LEU 22 H LEU 22 -3.007 16.819 16.157 140 HA LEU 22 HA LEU 22 -2.312 14.469 14.680 141 1HB LEU 22 1HB LEU 22 -2.546 15.236 12.489 142 2HB LEU 22 2HB LEU 22 -4.060 15.657 13.263 143 HG LEU 22 HG LEU 22 -1.798 17.612 12.863 144 1HD1 LEU 22 1HD1 LEU 22 -4.227 17.093 11.169 145 2HD1 LEU 22 2HD1 LEU 22 -2.539 16.862 10.704 146 3HD1 LEU 22 3HD1 LEU 22 -3.160 18.487 11.006 147 1HD2 LEU 22 1HD2 LEU 22 -3.333 18.240 14.639 148 2HD2 LEU 22 2HD2 LEU 22 -4.709 17.996 13.561 149 3HD2 LEU 22 3HD2 LEU 22 -3.554 19.289 13.238 150 H LEU 23 H LEU 23 -0.460 15.263 13.021 151 HA LEU 23 HA LEU 23 1.330 17.016 14.559 152 1HB LEU 23 1HB LEU 23 2.160 15.097 12.390 153 2HB LEU 23 2HB LEU 23 3.168 15.848 13.613 154 HG LEU 23 HG LEU 23 1.091 13.718 14.127 155 1HD1 LEU 23 1HD1 LEU 23 3.009 12.271 14.568 156 2HD1 LEU 23 2HD1 LEU 23 4.099 13.571 14.086 157 3HD1 LEU 23 3HD1 LEU 23 3.001 12.857 12.904 158 1HD2 LEU 23 1HD2 LEU 23 3.114 14.965 15.981 159 2HD2 LEU 23 2HD2 LEU 23 2.019 13.640 16.375 160 3HD2 LEU 23 3HD2 LEU 23 1.373 15.242 16.018 161 H VAL 24 H VAL 24 1.965 18.906 13.579 162 HA VAL 24 HA VAL 24 1.340 19.158 10.726 163 HB VAL 24 HB VAL 24 0.175 21.070 10.895 164 1HG1 VAL 24 1HG1 VAL 24 -0.118 20.111 13.724 165 2HG1 VAL 24 2HG1 VAL 24 -1.064 19.604 12.324 166 3HG1 VAL 24 3HG1 VAL 24 -1.191 21.259 12.921 167 1HG2 VAL 24 1HG2 VAL 24 0.557 22.869 12.530 168 2HG2 VAL 24 2HG2 VAL 24 2.015 22.436 11.633 169 3HG2 VAL 24 3HG2 VAL 24 1.803 21.881 13.296 170 H CYS 25 H CYS 25 2.823 20.194 9.527 171 HA CYS 25 HA CYS 25 5.348 20.704 10.918 172 1HB CYS 25 1HB CYS 25 5.268 18.762 9.376 173 2HB CYS 25 2HB CYS 25 4.841 19.851 8.063 174 HA PRO 26 HA PRO 26 4.557 24.904 9.356 175 1HB PRO 26 1HB PRO 26 6.354 26.081 11.011 176 2HB PRO 26 2HB PRO 26 4.711 25.676 11.526 177 1HG PRO 26 1HG PRO 26 7.263 24.181 11.988 178 2HG PRO 26 2HG PRO 26 5.939 24.512 13.121 179 1HD PRO 26 1HD PRO 26 6.212 22.130 11.866 180 2HD PRO 26 2HD PRO 26 4.627 22.809 12.285 181 H GLU 27 H GLU 27 7.062 22.750 9.466 182 HA GLU 27 HA GLU 27 9.225 24.211 8.378 183 1HB GLU 27 1HB GLU 27 9.241 22.095 9.758 184 2HB GLU 27 2HB GLU 27 8.700 21.240 8.331 185 1HG GLU 27 1HG GLU 27 10.746 21.647 7.216 186 2HG GLU 27 2HG GLU 27 11.278 22.767 8.477 187 H CYS 28 H CYS 28 6.864 21.867 6.868 188 HA CYS 28 HA CYS 28 7.405 23.277 4.342 189 1HB CYS 28 1HB CYS 28 6.484 21.269 3.201 190 2HB CYS 28 2HB CYS 28 7.942 20.939 4.127 191 H ALA 29 H ALA 29 5.278 23.762 6.659 192 HA ALA 29 HA ALA 29 3.164 24.527 6.775 193 1HB ALA 29 1HB ALA 29 2.316 25.759 4.858 194 2HB ALA 29 2HB ALA 29 3.524 25.003 3.820 195 3HB ALA 29 3HB ALA 29 4.029 26.096 5.108 196 H HIS 30 H HIS 30 3.329 21.748 6.566 197 HA HIS 30 HA HIS 30 0.755 21.178 5.315 198 1HB HIS 30 1HB HIS 30 3.347 19.889 4.574 199 2HB HIS 30 2HB HIS 30 1.878 18.918 4.558 200 HD1 HIS 30 HD1 HIS 30 3.509 21.837 2.826 201 HD2 HIS 30 HD2 HIS 30 0.116 19.452 2.484 202 HE1 HIS 30 HE1 HIS 30 2.519 22.379 0.578 203 HE2 HIS 30 HE2 HIS 30 0.368 21.066 0.480 204 H GLU 31 H GLU 31 -0.506 20.035 6.559 205 HA GLU 31 HA GLU 31 0.527 18.949 9.063 206 1HB GLU 31 1HB GLU 31 -2.330 19.161 8.093 207 2HB GLU 31 2HB GLU 31 -1.796 18.849 9.738 208 1HG GLU 31 1HG GLU 31 -0.977 21.056 9.988 209 2HG GLU 31 2HG GLU 31 -1.163 21.389 8.265 210 H TRP 32 H TRP 32 -0.080 16.775 9.778 211 HA TRP 32 HA TRP 32 -1.213 14.951 7.868 212 1HB TRP 32 1HB TRP 32 0.617 13.760 7.194 213 2HB TRP 32 2HB TRP 32 1.378 15.329 7.406 214 HD1 TRP 32 HD1 TRP 32 2.324 15.543 10.205 215 HE1 TRP 32 HE1 TRP 32 3.882 13.832 11.345 216 HE3 TRP 32 HE3 TRP 32 1.441 11.518 7.191 217 HZ2 TRP 32 HZ2 TRP 32 4.629 11.134 11.006 218 HZ3 TRP 32 HZ3 TRP 32 2.617 9.411 7.662 219 HH2 TRP 32 HH2 TRP 32 4.177 9.222 9.530 220 H SER 33 H SER 33 -1.366 12.746 8.760 221 HA SER 33 HA SER 33 -1.482 12.818 11.697 222 1HB SER 33 1HB SER 33 -3.649 12.553 10.355 223 2HB SER 33 2HB SER 33 -3.055 10.954 9.914 224 HG SER 33 HG SER 33 -4.423 11.515 12.012 225 HA PRO 34 HA PRO 34 1.935 10.106 11.631 226 1HB PRO 34 1HB PRO 34 1.555 8.844 14.055 227 2HB PRO 34 2HB PRO 34 2.278 10.439 13.846 228 1HG PRO 34 1HG PRO 34 -0.518 9.715 14.600 229 2HG PRO 34 2HG PRO 34 0.509 11.021 15.217 230 1HD PRO 34 1HD PRO 34 -1.452 11.475 13.432 231 2HD PRO 34 2HD PRO 34 0.067 12.391 13.409 232 H ASN 35 H ASN 35 -1.214 8.653 12.402 233 HA ASN 35 HA ASN 35 -0.218 6.152 11.176 234 1HB ASN 35 1HB ASN 35 -2.420 6.385 13.238 235 2HB ASN 35 2HB ASN 35 -1.782 4.896 12.553 236 1HD2 ASN 35 1HD2 ASN 35 -1.340 7.400 14.853 237 2HD2 ASN 35 2HD2 ASN 35 0.035 6.719 15.651 238 H GLU 36 H GLU 36 -2.981 8.296 11.575 239 HA GLU 36 HA GLU 36 -4.812 6.826 10.032 240 1HB GLU 36 1HB GLU 36 -5.334 8.614 11.709 241 2HB GLU 36 2HB GLU 36 -4.806 9.805 10.535 242 1HG GLU 36 1HG GLU 36 -6.958 7.882 9.790 243 2HG GLU 36 2HG GLU 36 -7.336 9.243 10.843 244 H ALA 37 H ALA 37 -2.164 8.785 9.066 245 HA ALA 37 HA ALA 37 -3.037 9.763 6.596 246 1HB ALA 37 1HB ALA 37 -0.934 10.447 7.645 247 2HB ALA 37 2HB ALA 37 -0.692 9.913 5.982 248 3HB ALA 37 3HB ALA 37 -0.258 8.851 7.322 249 H ALA 38 H ALA 38 -2.202 6.549 7.576 250 HA ALA 38 HA ALA 38 -1.635 5.409 5.062 251 1HB ALA 38 1HB ALA 38 -1.169 4.264 7.178 252 2HB ALA 38 2HB ALA 38 -2.160 3.269 6.111 253 3HB ALA 38 3HB ALA 38 -2.901 4.107 7.474 254 H THR 39 H THR 39 -4.605 6.248 6.671 255 HA THR 39 HA THR 39 -6.741 6.441 5.950 256 HB THR 39 HB THR 39 -5.817 5.672 3.175 257 HG1 THR 39 HG1 THR 39 -4.618 7.466 4.354 258 1HG2 THR 39 1HG2 THR 39 -8.241 5.853 3.476 259 2HG2 THR 39 2HG2 THR 39 -7.636 7.174 2.475 260 3HG2 THR 39 3HG2 THR 39 -8.041 7.464 4.167 261 H ALA 40 H ALA 40 -8.590 5.122 5.128 262 HA ALA 40 HA ALA 40 -8.359 2.439 6.051 263 1HB ALA 40 1HB ALA 40 -10.660 3.802 4.649 264 2HB ALA 40 2HB ALA 40 -10.391 3.765 6.391 265 3HB ALA 40 3HB ALA 40 -10.735 2.270 5.521 266 H SER 41 H SER 41 -9.658 0.760 4.549 267 HA SER 41 HA SER 41 -7.974 0.522 2.190 268 1HB SER 41 1HB SER 41 -9.916 -1.485 3.365 269 2HB SER 41 2HB SER 41 -8.664 -1.807 2.164 270 HG SER 41 HG SER 41 -7.144 -1.050 3.835 271 H ASP 42 H ASP 42 -9.319 -0.814 0.361 272 HA ASP 42 HA ASP 42 -11.973 0.289 -0.021 273 1HB ASP 42 1HB ASP 42 -10.409 2.020 -0.932 274 2HB ASP 42 2HB ASP 42 -9.801 0.815 -2.064 275 H ASP 43 H ASP 43 -13.090 -0.721 -1.838 276 HA ASP 43 HA ASP 43 -12.574 -3.514 -1.911 277 1HB ASP 43 1HB ASP 43 -14.841 -2.503 -2.020 278 2HB ASP 43 2HB ASP 43 -14.466 -1.900 -3.630 279 H GLY 44 H GLY 44 -11.794 -0.859 -4.051 280 1HA GLY 44 1HA GLY 44 -9.822 -2.228 -5.436 281 2HA GLY 44 2HA GLY 44 -11.297 -2.441 -6.365 282 H LYS 45 H LYS 45 -8.848 -0.229 -5.325 283 HA LYS 45 HA LYS 45 -9.968 1.947 -6.914 284 1HB LYS 45 1HB LYS 45 -7.350 1.751 -5.402 285 2HB LYS 45 2HB LYS 45 -7.966 3.201 -6.177 286 1HG LYS 45 1HG LYS 45 -9.603 1.852 -4.084 287 2HG LYS 45 2HG LYS 45 -8.228 2.847 -3.609 288 1HD LYS 45 1HD LYS 45 -10.155 4.239 -3.563 289 2HD LYS 45 2HD LYS 45 -9.217 4.700 -4.982 290 1HE LYS 45 1HE LYS 45 -10.703 3.369 -6.395 291 2HE LYS 45 2HE LYS 45 -11.639 2.905 -4.974 292 1HZ LYS 45 1HZ LYS 45 -12.708 4.718 -6.131 293 2HZ LYS 45 2HZ LYS 45 -11.301 5.661 -6.026 294 3HZ LYS 45 3HZ LYS 45 -12.153 5.255 -4.618 295 H VAL 46 H VAL 46 -7.035 0.009 -6.777 296 HA VAL 46 HA VAL 46 -6.840 0.053 -9.679 297 HB VAL 46 HB VAL 46 -5.440 1.909 -8.909 298 1HG1 VAL 46 1HG1 VAL 46 -3.987 -0.157 -7.268 299 2HG1 VAL 46 2HG1 VAL 46 -4.973 1.170 -6.652 300 3HG1 VAL 46 3HG1 VAL 46 -3.468 1.511 -7.507 301 1HG2 VAL 46 1HG2 VAL 46 -4.700 0.705 -10.865 302 2HG2 VAL 46 2HG2 VAL 46 -3.852 -0.466 -9.859 303 3HG2 VAL 46 3HG2 VAL 46 -3.302 1.209 -9.916 304 H ILE 47 H ILE 47 -5.668 -1.785 -10.491 305 HA ILE 47 HA ILE 47 -5.987 -4.040 -8.693 306 HB ILE 47 HB ILE 47 -5.071 -4.308 -11.538 307 1HG1 ILE 47 1HG1 ILE 47 -6.910 -2.652 -11.567 308 2HG1 ILE 47 2HG1 ILE 47 -7.379 -4.169 -12.325 309 1HG2 ILE 47 1HG2 ILE 47 -6.637 -6.301 -11.393 310 2HG2 ILE 47 2HG2 ILE 47 -6.792 -5.935 -9.673 311 3HG2 ILE 47 3HG2 ILE 47 -5.217 -6.358 -10.341 312 1HD1 ILE 47 1HD1 ILE 47 -8.096 -3.339 -9.521 313 2HD1 ILE 47 2HD1 ILE 47 -8.627 -4.805 -10.357 314 3HD1 ILE 47 3HD1 ILE 47 -9.151 -3.219 -10.930 315 H LYS 48 H LYS 48 -4.363 -5.372 -7.962 316 HA LYS 48 HA LYS 48 -1.613 -4.486 -8.518 317 1HB LYS 48 1HB LYS 48 -2.987 -5.339 -6.066 318 2HB LYS 48 2HB LYS 48 -1.417 -6.089 -6.305 319 1HG LYS 48 1HG LYS 48 -0.441 -4.269 -5.523 320 2HG LYS 48 2HG LYS 48 -1.123 -3.335 -6.856 321 1HD LYS 48 1HD LYS 48 -2.494 -3.899 -4.228 322 2HD LYS 48 2HD LYS 48 -1.716 -2.378 -4.675 323 1HE LYS 48 1HE LYS 48 -3.275 -2.064 -6.484 324 2HE LYS 48 2HE LYS 48 -4.000 -3.641 -6.178 325 1HZ LYS 48 1HZ LYS 48 -4.589 -2.771 -3.925 326 2HZ LYS 48 2HZ LYS 48 -5.406 -2.048 -5.217 327 3HZ LYS 48 3HZ LYS 48 -4.123 -1.227 -4.463 328 H ASP 49 H ASP 49 0.015 -6.059 -8.688 329 HA ASP 49 HA ASP 49 -0.902 -8.605 -9.806 330 1HB ASP 49 1HB ASP 49 1.865 -7.395 -9.825 331 2HB ASP 49 2HB ASP 49 1.318 -8.761 -10.776 332 H SER 50 H SER 50 0.544 -10.496 -9.307 333 HA SER 50 HA SER 50 0.587 -10.852 -6.445 334 1HB SER 50 1HB SER 50 1.248 -13.163 -6.952 335 2HB SER 50 2HB SER 50 -0.101 -12.659 -7.973 336 HG SER 50 HG SER 50 1.356 -12.308 -9.646 337 H VAL 51 H VAL 51 2.696 -9.671 -8.603 338 HA VAL 51 HA VAL 51 5.168 -10.558 -7.338 339 HB VAL 51 HB VAL 51 5.305 -10.422 -9.683 340 1HG1 VAL 51 1HG1 VAL 51 4.873 -8.293 -10.908 341 2HG1 VAL 51 2HG1 VAL 51 4.098 -7.712 -9.431 342 3HG1 VAL 51 3HG1 VAL 51 3.470 -9.143 -10.261 343 1HG2 VAL 51 1HG2 VAL 51 7.044 -8.757 -10.138 344 2HG2 VAL 51 2HG2 VAL 51 7.325 -9.617 -8.624 345 3HG2 VAL 51 3HG2 VAL 51 6.677 -7.977 -8.598 346 H GLY 52 H GLY 52 2.870 -8.468 -6.582 347 1HA GLY 52 1HA GLY 52 2.859 -7.108 -4.697 348 2HA GLY 52 2HA GLY 52 4.613 -7.081 -4.736 349 H ASN 53 H ASN 53 3.413 -6.324 -7.790 350 HA ASN 53 HA ASN 53 3.693 -3.491 -7.114 351 1HB ASN 53 1HB ASN 53 4.200 -3.184 -9.584 352 2HB ASN 53 2HB ASN 53 5.436 -3.927 -8.591 353 1HD2 ASN 53 1HD2 ASN 53 2.544 -5.487 -9.943 354 2HD2 ASN 53 2HD2 ASN 53 3.424 -6.569 -10.948 355 H VAL 54 H VAL 54 2.651 -2.055 -8.713 356 HA VAL 54 HA VAL 54 -0.199 -2.848 -8.917 357 HB VAL 54 HB VAL 54 0.780 -0.018 -8.606 358 1HG1 VAL 54 1HG1 VAL 54 -1.890 -1.305 -8.096 359 2HG1 VAL 54 2HG1 VAL 54 -1.469 -0.278 -9.467 360 3HG1 VAL 54 3HG1 VAL 54 -1.500 0.396 -7.837 361 1HG2 VAL 54 1HG2 VAL 54 1.572 -1.258 -6.670 362 2HG2 VAL 54 2HG2 VAL 54 -0.047 -1.903 -6.404 363 3HG2 VAL 54 3HG2 VAL 54 0.255 -0.176 -6.216 364 H LEU 55 H LEU 55 -1.351 -2.314 -10.855 365 HA LEU 55 HA LEU 55 0.381 -1.649 -13.080 366 1HB LEU 55 1HB LEU 55 -2.461 -2.676 -12.965 367 2HB LEU 55 2HB LEU 55 -1.493 -2.501 -14.419 368 HG LEU 55 HG LEU 55 -0.544 -4.226 -12.191 369 1HD1 LEU 55 1HD1 LEU 55 -2.337 -5.188 -14.384 370 2HD1 LEU 55 2HD1 LEU 55 -2.841 -4.934 -12.713 371 3HD1 LEU 55 3HD1 LEU 55 -1.612 -6.146 -13.087 372 1HD2 LEU 55 1HD2 LEU 55 1.018 -3.682 -13.935 373 2HD2 LEU 55 2HD2 LEU 55 -0.125 -4.237 -15.155 374 3HD2 LEU 55 3HD2 LEU 55 0.580 -5.391 -14.017 375 H GLN 56 H GLN 56 -0.810 -0.454 -14.843 376 HA GLN 56 HA GLN 56 -2.616 1.628 -13.841 377 1HB GLN 56 1HB GLN 56 -0.431 2.670 -14.103 378 2HB GLN 56 2HB GLN 56 -0.250 1.972 -15.705 379 1HG GLN 56 1HG GLN 56 -2.292 3.314 -16.364 380 2HG GLN 56 2HG GLN 56 -2.097 4.163 -14.831 381 1HE2 GLN 56 1HE2 GLN 56 -0.698 3.511 -17.941 382 2HE2 GLN 56 2HE2 GLN 56 0.420 4.829 -17.941 383 H ASP 57 H ASP 57 -4.097 2.392 -15.509 384 HA ASP 57 HA ASP 57 -5.021 0.314 -17.190 385 1HB ASP 57 1HB ASP 57 -6.379 2.192 -16.109 386 2HB ASP 57 2HB ASP 57 -5.777 3.231 -17.396 387 H GLY 58 H GLY 58 -3.587 -0.298 -18.728 388 1HA GLY 58 1HA GLY 58 -3.187 0.295 -21.146 389 2HA GLY 58 2HA GLY 58 -2.524 1.797 -20.516 390 H ASP 59 H ASP 59 -1.628 -0.278 -18.243 391 HA ASP 59 HA ASP 59 1.070 -0.417 -19.112 392 1HB ASP 59 1HB ASP 59 -0.436 -1.477 -16.744 393 2HB ASP 59 2HB ASP 59 1.222 -1.972 -17.034 394 H THR 60 H THR 60 2.329 -2.439 -19.131 395 HA THR 60 HA THR 60 0.904 -4.550 -20.580 396 HB THR 60 HB THR 60 3.886 -4.393 -20.195 397 HG1 THR 60 HG1 THR 60 3.348 -2.381 -21.018 398 1HG2 THR 60 1HG2 THR 60 2.151 -5.475 -22.423 399 2HG2 THR 60 2HG2 THR 60 2.974 -6.433 -21.192 400 3HG2 THR 60 3HG2 THR 60 3.914 -5.523 -22.375 401 H ILE 61 H ILE 61 0.776 -6.643 -19.780 402 HA ILE 61 HA ILE 61 1.907 -7.026 -17.089 403 HB ILE 61 HB ILE 61 -0.019 -8.227 -16.357 404 1HG1 ILE 61 1HG1 ILE 61 -2.073 -8.093 -18.101 405 2HG1 ILE 61 2HG1 ILE 61 -0.737 -8.256 -19.236 406 1HG2 ILE 61 1HG2 ILE 61 -0.184 -5.829 -16.160 407 2HG2 ILE 61 2HG2 ILE 61 -1.774 -6.524 -16.466 408 3HG2 ILE 61 3HG2 ILE 61 -0.897 -5.717 -17.767 409 1HD1 ILE 61 1HD1 ILE 61 -1.368 -10.146 -16.975 410 2HD1 ILE 61 2HD1 ILE 61 -0.037 -10.308 -18.122 411 3HD1 ILE 61 3HD1 ILE 61 -1.705 -10.417 -18.687 412 H THR 62 H THR 62 2.177 -9.339 -16.524 413 HA THR 62 HA THR 62 2.160 -11.216 -18.731 414 HB THR 62 HB THR 62 4.615 -10.220 -17.338 415 HG1 THR 62 HG1 THR 62 3.683 -9.903 -19.691 416 1HG2 THR 62 1HG2 THR 62 4.640 -12.605 -16.861 417 2HG2 THR 62 2HG2 THR 62 5.859 -12.208 -18.074 418 3HG2 THR 62 3HG2 THR 62 4.341 -12.965 -18.562 419 H VAL 63 H VAL 63 1.109 -12.903 -17.960 420 HA VAL 63 HA VAL 63 0.678 -13.501 -15.256 421 HB VAL 63 HB VAL 63 -0.453 -14.444 -17.503 422 1HG1 VAL 63 1HG1 VAL 63 1.484 -16.598 -16.732 423 2HG1 VAL 63 2HG1 VAL 63 1.408 -15.730 -18.268 424 3HG1 VAL 63 3HG1 VAL 63 0.097 -16.816 -17.802 425 1HG2 VAL 63 1HG2 VAL 63 -1.362 -14.658 -15.250 426 2HG2 VAL 63 2HG2 VAL 63 -0.272 -16.012 -14.940 427 3HG2 VAL 63 3HG2 VAL 63 -1.536 -16.160 -16.161 428 H ILE 64 H ILE 64 2.055 -14.305 -13.786 429 HA ILE 64 HA ILE 64 4.534 -15.453 -14.720 430 HB ILE 64 HB ILE 64 5.389 -15.145 -12.483 431 1HG1 ILE 64 1HG1 ILE 64 3.000 -15.594 -11.458 432 2HG1 ILE 64 2HG1 ILE 64 4.157 -14.575 -10.611 433 1HG2 ILE 64 1HG2 ILE 64 3.823 -12.786 -13.484 434 2HG2 ILE 64 2HG2 ILE 64 5.473 -13.232 -13.936 435 3HG2 ILE 64 3HG2 ILE 64 5.116 -12.692 -12.289 436 1HD1 ILE 64 1HD1 ILE 64 2.031 -13.533 -10.521 437 2HD1 ILE 64 2HD1 ILE 64 1.806 -13.691 -12.256 438 3HD1 ILE 64 3HD1 ILE 64 3.037 -12.592 -11.624 439 H LYS 65 H LYS 65 1.833 -17.069 -14.562 440 HA LYS 65 HA LYS 65 3.097 -19.347 -13.326 441 1HB LYS 65 1HB LYS 65 0.384 -18.268 -12.544 442 2HB LYS 65 2HB LYS 65 0.841 -19.944 -12.290 443 1HG LYS 65 1HG LYS 65 1.656 -19.346 -10.328 444 2HG LYS 65 2HG LYS 65 2.914 -18.449 -11.178 445 1HD LYS 65 1HD LYS 65 1.458 -16.470 -11.216 446 2HD LYS 65 2HD LYS 65 0.219 -17.374 -10.344 447 1HE LYS 65 1HE LYS 65 3.003 -16.871 -9.303 448 2HE LYS 65 2HE LYS 65 1.606 -15.872 -8.908 449 1HZ LYS 65 1HZ LYS 65 0.573 -17.682 -7.806 450 2HZ LYS 65 2HZ LYS 65 2.172 -17.620 -7.239 451 3HZ LYS 65 3HZ LYS 65 1.724 -18.792 -8.377 452 H ASP 66 H ASP 66 1.999 -21.320 -14.003 453 HA ASP 66 HA ASP 66 0.809 -21.109 -16.620 454 1HB ASP 66 1HB ASP 66 0.737 -23.550 -16.676 455 2HB ASP 66 2HB ASP 66 2.324 -22.966 -16.203 456 H LEU 67 H LEU 67 -1.154 -20.570 -16.932 457 HA LEU 67 HA LEU 67 -3.309 -21.791 -15.330 458 1HB LEU 67 1HB LEU 67 -3.153 -19.006 -16.488 459 2HB LEU 67 2HB LEU 67 -4.664 -19.741 -16.003 460 HG LEU 67 HG LEU 67 -3.594 -19.978 -13.687 461 1HD1 LEU 67 1HD1 LEU 67 -1.294 -19.522 -14.331 462 2HD1 LEU 67 2HD1 LEU 67 -1.869 -18.331 -13.164 463 3HD1 LEU 67 3HD1 LEU 67 -1.757 -17.909 -14.873 464 1HD2 LEU 67 1HD2 LEU 67 -4.238 -17.686 -13.103 465 2HD2 LEU 67 2HD2 LEU 67 -5.401 -18.441 -14.193 466 3HD2 LEU 67 3HD2 LEU 67 -4.245 -17.263 -14.814 467 H LYS 68 H LYS 68 -4.922 -22.751 -16.543 468 HA LYS 68 HA LYS 68 -4.606 -22.724 -19.420 469 1HB LYS 68 1HB LYS 68 -6.225 -24.481 -19.499 470 2HB LYS 68 2HB LYS 68 -5.145 -24.819 -18.158 471 1HG LYS 68 1HG LYS 68 -7.040 -25.221 -17.042 472 2HG LYS 68 2HG LYS 68 -7.120 -23.464 -16.891 473 1HD LYS 68 1HD LYS 68 -9.255 -24.325 -17.661 474 2HD LYS 68 2HD LYS 68 -8.496 -23.379 -18.943 475 1HE LYS 68 1HE LYS 68 -7.633 -25.526 -19.900 476 2HE LYS 68 2HE LYS 68 -8.603 -26.384 -18.706 477 1HZ LYS 68 1HZ LYS 68 -10.586 -25.277 -19.652 478 2HZ LYS 68 2HZ LYS 68 -9.795 -26.284 -20.760 479 3HZ LYS 68 3HZ LYS 68 -9.605 -24.606 -20.865 480 H VAL 69 H VAL 69 -6.762 -22.589 -20.730 481 HA VAL 69 HA VAL 69 -8.321 -20.273 -19.775 482 HB VAL 69 HB VAL 69 -7.605 -20.879 -22.665 483 1HG1 VAL 69 1HG1 VAL 69 -9.014 -18.513 -21.444 484 2HG1 VAL 69 2HG1 VAL 69 -9.752 -19.778 -22.427 485 3HG1 VAL 69 3HG1 VAL 69 -8.563 -18.689 -23.142 486 1HG2 VAL 69 1HG2 VAL 69 -6.546 -18.679 -20.896 487 2HG2 VAL 69 2HG2 VAL 69 -6.177 -18.924 -22.606 488 3HG2 VAL 69 3HG2 VAL 69 -5.649 -20.108 -21.411 489 H LYS 70 H LYS 70 -10.585 -20.623 -19.862 490 HA LYS 70 HA LYS 70 -11.366 -23.319 -20.305 491 1HB LYS 70 1HB LYS 70 -13.041 -20.888 -19.665 492 2HB LYS 70 2HB LYS 70 -13.521 -22.569 -19.467 493 1HG LYS 70 1HG LYS 70 -12.000 -22.901 -17.696 494 2HG LYS 70 2HG LYS 70 -11.156 -21.392 -18.039 495 1HD LYS 70 1HD LYS 70 -12.542 -21.120 -16.081 496 2HD LYS 70 2HD LYS 70 -13.187 -20.145 -17.403 497 1HE LYS 70 1HE LYS 70 -14.889 -21.807 -17.841 498 2HE LYS 70 2HE LYS 70 -14.205 -22.871 -16.610 499 1HZ LYS 70 1HZ LYS 70 -16.101 -21.711 -15.731 500 2HZ LYS 70 2HZ LYS 70 -15.436 -20.205 -16.146 501 3HZ LYS 70 3HZ LYS 70 -14.700 -21.158 -14.950 502 H GLY 71 H GLY 71 -12.425 -20.229 -21.752 503 1HA GLY 71 1HA GLY 71 -14.135 -21.594 -23.623 504 2HA GLY 71 2HA GLY 71 -13.827 -19.867 -23.555 505 H SER 72 H SER 72 -10.848 -20.675 -23.650 506 HA SER 72 HA SER 72 -10.767 -21.002 -26.571 507 1HB SER 72 1HB SER 72 -8.855 -19.518 -24.753 508 2HB SER 72 2HB SER 72 -8.662 -19.702 -26.491 509 HG SER 72 HG SER 72 -10.667 -18.593 -26.739 510 H SER 73 H SER 73 -9.011 -22.198 -27.464 511 HA SER 73 HA SER 73 -8.233 -24.466 -25.882 512 1HB SER 73 1HB SER 73 -7.342 -23.716 -28.675 513 2HB SER 73 2HB SER 73 -7.277 -25.315 -27.933 514 HG SER 73 HG SER 73 -9.139 -24.641 -29.419 515 H LEU 74 H LEU 74 -7.054 -21.425 -26.046 516 HA LEU 74 HA LEU 74 -4.242 -21.963 -26.132 517 1HB LEU 74 1HB LEU 74 -5.934 -19.564 -25.596 518 2HB LEU 74 2HB LEU 74 -4.249 -19.530 -25.132 519 HG LEU 74 HG LEU 74 -3.706 -20.135 -27.540 520 1HD1 LEU 74 1HD1 LEU 74 -5.404 -19.627 -29.207 521 2HD1 LEU 74 2HD1 LEU 74 -6.587 -19.346 -27.929 522 3HD1 LEU 74 3HD1 LEU 74 -5.911 -20.958 -28.166 523 1HD2 LEU 74 1HD2 LEU 74 -3.957 -17.831 -28.307 524 2HD2 LEU 74 2HD2 LEU 74 -3.396 -17.900 -26.636 525 3HD2 LEU 74 3HD2 LEU 74 -5.081 -17.511 -26.985 526 H VAL 75 H VAL 75 -2.829 -22.097 -24.468 527 HA VAL 75 HA VAL 75 -3.898 -22.080 -21.745 528 HB VAL 75 HB VAL 75 -1.276 -23.191 -22.769 529 1HG1 VAL 75 1HG1 VAL 75 -2.531 -23.376 -20.033 530 2HG1 VAL 75 2HG1 VAL 75 -1.092 -22.449 -20.457 531 3HG1 VAL 75 3HG1 VAL 75 -1.066 -24.211 -20.550 532 1HG2 VAL 75 1HG2 VAL 75 -2.280 -25.386 -22.329 533 2HG2 VAL 75 2HG2 VAL 75 -3.186 -24.485 -23.546 534 3HG2 VAL 75 3HG2 VAL 75 -3.797 -24.598 -21.895 535 H VAL 76 H VAL 76 -3.251 -20.633 -20.289 536 HA VAL 76 HA VAL 76 -1.624 -18.390 -21.134 537 HB VAL 76 HB VAL 76 -3.208 -18.935 -18.603 538 1HG1 VAL 76 1HG1 VAL 76 -1.282 -17.591 -18.032 539 2HG1 VAL 76 2HG1 VAL 76 -2.763 -16.638 -17.961 540 3HG1 VAL 76 3HG1 VAL 76 -1.666 -16.461 -19.332 541 1HG2 VAL 76 1HG2 VAL 76 -3.631 -16.999 -20.870 542 2HG2 VAL 76 2HG2 VAL 76 -4.634 -17.132 -19.425 543 3HG2 VAL 76 3HG2 VAL 76 -4.553 -18.472 -20.569 544 H LYS 77 H LYS 77 0.482 -18.727 -21.058 545 HA LYS 77 HA LYS 77 1.562 -20.356 -18.862 546 1HB LYS 77 1HB LYS 77 3.620 -20.607 -20.335 547 2HB LYS 77 2HB LYS 77 2.169 -21.456 -20.826 548 1HG LYS 77 1HG LYS 77 3.162 -20.579 -22.778 549 2HG LYS 77 2HG LYS 77 1.739 -19.596 -22.447 550 1HD LYS 77 1HD LYS 77 3.033 -17.783 -21.704 551 2HD LYS 77 2HD LYS 77 4.475 -18.781 -21.515 552 1HE LYS 77 1HE LYS 77 4.448 -17.244 -23.518 553 2HE LYS 77 2HE LYS 77 4.790 -18.941 -23.851 554 1HZ LYS 77 1HZ LYS 77 2.607 -19.261 -24.669 555 2HZ LYS 77 2HZ LYS 77 3.189 -17.850 -25.405 556 3HZ LYS 77 3HZ LYS 77 2.085 -17.745 -24.123 557 H VAL 78 H VAL 78 3.419 -19.779 -17.785 558 HA VAL 78 HA VAL 78 3.593 -17.160 -16.897 559 HB VAL 78 HB VAL 78 4.524 -18.874 -15.539 560 1HG1 VAL 78 1HG1 VAL 78 6.481 -19.434 -17.764 561 2HG1 VAL 78 2HG1 VAL 78 5.153 -20.473 -17.247 562 3HG1 VAL 78 3HG1 VAL 78 6.513 -20.176 -16.164 563 1HG2 VAL 78 1HG2 VAL 78 6.776 -18.036 -15.038 564 2HG2 VAL 78 2HG2 VAL 78 5.624 -16.727 -15.294 565 3HG2 VAL 78 3HG2 VAL 78 6.775 -17.147 -16.561 566 H GLY 79 H GLY 79 3.715 -15.646 -18.436 567 1HA GLY 79 1HA GLY 79 5.697 -14.222 -19.298 568 2HA GLY 79 2HA GLY 79 5.994 -15.643 -20.294 569 H THR 80 H THR 80 2.810 -15.435 -19.775 570 HA THR 80 HA THR 80 2.060 -14.707 -22.403 571 HB THR 80 HB THR 80 0.287 -14.623 -19.950 572 HG1 THR 80 HG1 THR 80 1.173 -16.699 -20.325 573 1HG2 THR 80 1HG2 THR 80 -0.408 -14.782 -22.888 574 2HG2 THR 80 2HG2 THR 80 -0.636 -13.375 -21.851 575 3HG2 THR 80 3HG2 THR 80 -1.557 -14.850 -21.550 576 H LYS 81 H LYS 81 2.588 -12.814 -23.167 577 HA LYS 81 HA LYS 81 2.497 -10.484 -21.427 578 1HB LYS 81 1HB LYS 81 4.505 -10.902 -22.814 579 2HB LYS 81 2HB LYS 81 3.535 -10.661 -24.258 580 1HG LYS 81 1HG LYS 81 3.546 -8.504 -22.226 581 2HG LYS 81 2HG LYS 81 4.992 -8.729 -23.198 582 1HD LYS 81 1HD LYS 81 2.199 -8.250 -24.229 583 2HD LYS 81 2HD LYS 81 3.523 -7.083 -24.220 584 1HE LYS 81 1HE LYS 81 4.806 -8.578 -25.708 585 2HE LYS 81 2HE LYS 81 3.428 -9.679 -25.755 586 1HZ LYS 81 1HZ LYS 81 3.362 -8.321 -27.682 587 2HZ LYS 81 2HZ LYS 81 3.540 -6.898 -26.779 588 3HZ LYS 81 3HZ LYS 81 2.106 -7.802 -26.665 589 H VAL 82 H VAL 82 0.871 -9.145 -21.346 590 HA VAL 82 HA VAL 82 -0.730 -8.672 -23.755 591 HB VAL 82 HB VAL 82 -1.934 -8.958 -20.995 592 1HG1 VAL 82 1HG1 VAL 82 -4.066 -8.936 -22.254 593 2HG1 VAL 82 2HG1 VAL 82 -3.157 -8.575 -23.721 594 3HG1 VAL 82 3HG1 VAL 82 -3.160 -7.429 -22.380 595 1HG2 VAL 82 1HG2 VAL 82 -2.034 -10.897 -23.305 596 2HG2 VAL 82 2HG2 VAL 82 -2.953 -11.037 -21.807 597 3HG2 VAL 82 3HG2 VAL 82 -1.193 -11.142 -21.774 598 H LYS 83 H LYS 83 -0.563 -6.610 -24.206 599 HA LYS 83 HA LYS 83 0.141 -4.696 -22.124 600 1HB LYS 83 1HB LYS 83 0.759 -3.221 -24.044 601 2HB LYS 83 2HB LYS 83 1.667 -4.725 -23.974 602 1HG LYS 83 1HG LYS 83 0.132 -5.676 -25.666 603 2HG LYS 83 2HG LYS 83 -0.642 -4.096 -25.794 604 1HD LYS 83 1HD LYS 83 1.374 -3.100 -26.608 605 2HD LYS 83 2HD LYS 83 2.293 -4.570 -26.272 606 1HE LYS 83 1HE LYS 83 0.952 -5.779 -27.921 607 2HE LYS 83 2HE LYS 83 0.050 -4.304 -28.266 608 1HZ LYS 83 1HZ LYS 83 2.138 -3.274 -28.992 609 2HZ LYS 83 2HZ LYS 83 1.746 -4.645 -29.915 610 3HZ LYS 83 3HZ LYS 83 2.950 -4.740 -28.731 611 H ASN 84 H ASN 84 -0.786 -2.596 -22.088 612 HA ASN 84 HA ASN 84 -2.423 -1.050 -22.121 613 1HB ASN 84 1HB ASN 84 -3.161 -2.485 -24.668 614 2HB ASN 84 2HB ASN 84 -3.993 -1.041 -24.105 615 1HD2 ASN 84 1HD2 ASN 84 -1.165 -2.321 -25.574 616 2HD2 ASN 84 2HD2 ASN 84 -0.402 -0.808 -25.932 617 H ILE 85 H ILE 85 -2.900 -3.169 -20.333 618 HA ILE 85 HA ILE 85 -5.416 -4.333 -20.561 619 HB ILE 85 HB ILE 85 -5.220 -4.634 -18.129 620 1HG1 ILE 85 1HG1 ILE 85 -2.633 -3.068 -18.297 621 2HG1 ILE 85 2HG1 ILE 85 -4.146 -2.331 -17.790 622 1HG2 ILE 85 1HG2 ILE 85 -4.096 -6.196 -19.590 623 2HG2 ILE 85 2HG2 ILE 85 -3.097 -5.908 -18.165 624 3HG2 ILE 85 3HG2 ILE 85 -2.690 -5.136 -19.698 625 1HD1 ILE 85 1HD1 ILE 85 -2.819 -2.913 -15.857 626 2HD1 ILE 85 2HD1 ILE 85 -2.700 -4.587 -16.405 627 3HD1 ILE 85 3HD1 ILE 85 -4.262 -3.928 -15.918 628 H ARG 86 H ARG 86 -7.011 -3.939 -18.741 629 HA ARG 86 HA ARG 86 -7.660 -1.093 -18.386 630 1HB ARG 86 1HB ARG 86 -9.235 -1.682 -19.996 631 2HB ARG 86 2HB ARG 86 -9.329 -3.342 -19.449 632 1HG ARG 86 1HG ARG 86 -11.409 -2.161 -19.050 633 2HG ARG 86 2HG ARG 86 -10.663 -2.649 -17.532 634 1HD ARG 86 1HD ARG 86 -11.675 -0.303 -17.681 635 2HD ARG 86 2HD ARG 86 -10.064 -0.465 -16.987 636 HE ARG 86 HE ARG 86 -9.169 0.644 -18.793 637 1HH1 ARG 86 1HH1 ARG 86 -12.560 -0.024 -19.371 638 2HH1 ARG 86 2HH1 ARG 86 -12.679 1.048 -20.733 639 1HH2 ARG 86 1HH2 ARG 86 -9.306 2.037 -20.580 640 2HH2 ARG 86 2HH2 ARG 86 -10.806 2.221 -21.436 641 H LEU 87 H LEU 87 -7.867 -0.599 -16.223 642 HA LEU 87 HA LEU 87 -7.842 -2.727 -14.301 643 1HB LEU 87 1HB LEU 87 -8.215 0.240 -13.872 644 2HB LEU 87 2HB LEU 87 -7.717 -0.943 -12.677 645 HG LEU 87 HG LEU 87 -6.083 -0.212 -15.105 646 1HD1 LEU 87 1HD1 LEU 87 -4.665 1.033 -13.518 647 2HD1 LEU 87 2HD1 LEU 87 -5.880 0.764 -12.266 648 3HD1 LEU 87 3HD1 LEU 87 -6.278 1.725 -13.689 649 1HD2 LEU 87 1HD2 LEU 87 -4.270 -1.331 -13.907 650 2HD2 LEU 87 2HD2 LEU 87 -5.609 -2.434 -14.223 651 3HD2 LEU 87 3HD2 LEU 87 -5.388 -1.756 -12.610 652 H VAL 88 H VAL 88 -9.628 -3.738 -13.682 653 HA VAL 88 HA VAL 88 -12.221 -2.684 -14.386 654 HB VAL 88 HB VAL 88 -11.905 -5.145 -12.728 655 1HG1 VAL 88 1HG1 VAL 88 -13.633 -4.451 -15.098 656 2HG1 VAL 88 2HG1 VAL 88 -14.128 -4.438 -13.404 657 3HG1 VAL 88 3HG1 VAL 88 -13.697 -5.959 -14.186 658 1HG2 VAL 88 1HG2 VAL 88 -11.035 -4.886 -15.596 659 2HG2 VAL 88 2HG2 VAL 88 -11.451 -6.427 -14.840 660 3HG2 VAL 88 3HG2 VAL 88 -10.100 -5.479 -14.216 661 H ASP 89 H ASP 89 -14.013 -2.678 -12.766 662 HA ASP 89 HA ASP 89 -13.217 -1.212 -10.429 663 1HB ASP 89 1HB ASP 89 -15.959 -2.275 -11.072 664 2HB ASP 89 2HB ASP 89 -15.553 -0.996 -9.937 665 H GLY 90 H GLY 90 -12.019 -2.621 -9.248 666 1HA GLY 90 1HA GLY 90 -12.804 -3.900 -7.101 667 2HA GLY 90 2HA GLY 90 -13.223 -5.107 -8.317 668 H ASP 91 H ASP 91 -11.007 -4.593 -6.127 669 HA ASP 91 HA ASP 91 -8.538 -4.227 -7.395 670 1HB ASP 91 1HB ASP 91 -9.271 -4.156 -4.880 671 2HB ASP 91 2HB ASP 91 -8.802 -5.851 -4.888 672 H HIS 92 H HIS 92 -10.544 -6.904 -7.526 673 HA HIS 92 HA HIS 92 -8.344 -8.809 -7.867 674 1HB HIS 92 1HB HIS 92 -9.994 -10.576 -7.404 675 2HB HIS 92 2HB HIS 92 -9.878 -9.420 -6.085 676 HD1 HIS 92 HD1 HIS 92 -11.947 -7.822 -5.727 677 HD2 HIS 92 HD2 HIS 92 -12.483 -10.800 -8.586 678 HE1 HIS 92 HE1 HIS 92 -14.421 -7.907 -6.173 679 HE2 HIS 92 HE2 HIS 92 -14.733 -9.855 -7.737 680 H ASP 93 H ASP 93 -8.352 -7.603 -10.207 681 HA ASP 93 HA ASP 93 -9.496 -9.157 -12.093 682 1HB ASP 93 1HB ASP 93 -11.596 -7.928 -10.924 683 2HB ASP 93 2HB ASP 93 -11.274 -6.832 -12.264 684 H ILE 94 H ILE 94 -9.104 -8.688 -14.171 685 HA ILE 94 HA ILE 94 -7.987 -6.076 -14.858 686 HB ILE 94 HB ILE 94 -6.432 -8.630 -15.269 687 1HG1 ILE 94 1HG1 ILE 94 -5.575 -6.302 -13.573 688 2HG1 ILE 94 2HG1 ILE 94 -6.570 -7.591 -12.902 689 1HG2 ILE 94 1HG2 ILE 94 -5.727 -5.768 -15.905 690 2HG2 ILE 94 2HG2 ILE 94 -6.124 -7.025 -17.077 691 3HG2 ILE 94 3HG2 ILE 94 -4.659 -7.157 -16.103 692 1HD1 ILE 94 1HD1 ILE 94 -4.231 -7.941 -12.430 693 2HD1 ILE 94 2HD1 ILE 94 -3.865 -7.921 -14.156 694 3HD1 ILE 94 3HD1 ILE 94 -4.861 -9.210 -13.478 695 H ASP 95 H ASP 95 -8.937 -5.510 -16.685 696 HA ASP 95 HA ASP 95 -9.861 -7.611 -18.467 697 1HB ASP 95 1HB ASP 95 -11.419 -5.830 -17.859 698 2HB ASP 95 2HB ASP 95 -10.322 -4.621 -18.512 699 H CYS 96 H CYS 96 -9.093 -7.967 -20.447 700 HA CYS 96 HA CYS 96 -7.262 -6.120 -21.700 701 1HB CYS 96 1HB CYS 96 -5.438 -7.775 -21.889 702 2HB CYS 96 2HB CYS 96 -5.744 -7.319 -20.216 703 HG CYS 96 HG CYS 96 -7.596 -9.775 -20.282 704 H LYS 97 H LYS 97 -6.646 -6.911 -23.891 705 HA LYS 97 HA LYS 97 -8.574 -8.892 -24.874 706 1HB LYS 97 1HB LYS 97 -9.255 -6.610 -25.570 707 2HB LYS 97 2HB LYS 97 -7.694 -6.406 -26.358 708 1HG LYS 97 1HG LYS 97 -8.217 -8.340 -27.807 709 2HG LYS 97 2HG LYS 97 -9.815 -8.419 -27.068 710 1HD LYS 97 1HD LYS 97 -10.334 -6.198 -27.895 711 2HD LYS 97 2HD LYS 97 -8.707 -6.049 -28.568 712 1HE LYS 97 1HE LYS 97 -9.157 -7.975 -30.030 713 2HE LYS 97 2HE LYS 97 -10.791 -8.078 -29.376 714 1HZ LYS 97 1HZ LYS 97 -9.663 -5.780 -30.886 715 2HZ LYS 97 2HZ LYS 97 -11.228 -5.861 -30.242 716 3HZ LYS 97 3HZ LYS 97 -10.768 -6.919 -31.484 717 H ILE 98 H ILE 98 -7.891 -10.227 -26.498 718 HA ILE 98 HA ILE 98 -5.028 -10.113 -27.165 719 HB ILE 98 HB ILE 98 -6.711 -12.606 -26.801 720 1HG1 ILE 98 1HG1 ILE 98 -4.715 -13.011 -25.112 721 2HG1 ILE 98 2HG1 ILE 98 -4.661 -11.252 -25.102 722 1HG2 ILE 98 1HG2 ILE 98 -3.821 -12.315 -27.580 723 2HG2 ILE 98 2HG2 ILE 98 -5.137 -12.857 -28.623 724 3HG2 ILE 98 3HG2 ILE 98 -4.650 -13.833 -27.234 725 1HD1 ILE 98 1HD1 ILE 98 -6.992 -11.189 -24.411 726 2HD1 ILE 98 2HD1 ILE 98 -6.000 -12.109 -23.279 727 3HD1 ILE 98 3HD1 ILE 98 -7.040 -12.951 -24.428 728 H ASP 99 H ASP 99 -5.006 -9.344 -29.160 729 HA ASP 99 HA ASP 99 -7.171 -9.387 -30.939 730 1HB ASP 99 1HB ASP 99 -4.246 -8.789 -31.271 731 2HB ASP 99 2HB ASP 99 -5.340 -8.763 -32.652 732 H GLY 100 H GLY 100 -8.013 -11.194 -31.652 733 1HA GLY 100 1HA GLY 100 -7.338 -12.861 -33.540 734 2HA GLY 100 2HA GLY 100 -6.280 -13.468 -32.271 735 H ILE 101 H ILE 101 -7.398 -13.965 -30.166 736 HA ILE 101 HA ILE 101 -9.743 -15.558 -30.739 737 HB ILE 101 HB ILE 101 -9.558 -16.271 -28.343 738 1HG1 ILE 101 1HG1 ILE 101 -6.968 -14.705 -28.419 739 2HG1 ILE 101 2HG1 ILE 101 -8.402 -14.226 -27.519 740 1HG2 ILE 101 1HG2 ILE 101 -8.587 -17.579 -30.139 741 2HG2 ILE 101 2HG2 ILE 101 -7.559 -17.643 -28.708 742 3HG2 ILE 101 3HG2 ILE 101 -7.112 -16.614 -30.069 743 1HD1 ILE 101 1HD1 ILE 101 -6.777 -16.718 -27.064 744 2HD1 ILE 101 2HD1 ILE 101 -8.221 -16.251 -26.165 745 3HD1 ILE 101 3HD1 ILE 101 -6.763 -15.262 -26.069 746 H GLY 102 H GLY 102 -8.942 -12.846 -28.567 747 1HA GLY 102 1HA GLY 102 -10.997 -11.202 -28.848 748 2HA GLY 102 2HA GLY 102 -11.777 -12.503 -27.958 749 H ALA 103 H ALA 103 -12.151 -10.811 -26.336 750 HA ALA 103 HA ALA 103 -9.825 -9.860 -24.875 751 1HB ALA 103 1HB ALA 103 -12.768 -9.441 -24.350 752 2HB ALA 103 2HB ALA 103 -11.707 -8.345 -25.235 753 3HB ALA 103 3HB ALA 103 -11.442 -8.630 -23.515 754 H MET 104 H MET 104 -9.439 -10.314 -22.647 755 HA MET 104 HA MET 104 -10.852 -12.627 -21.551 756 1HB MET 104 1HB MET 104 -8.915 -13.538 -22.775 757 2HB MET 104 2HB MET 104 -7.841 -12.503 -21.842 758 1HG MET 104 1HG MET 104 -8.390 -13.659 -19.816 759 2HG MET 104 2HG MET 104 -9.623 -14.611 -20.641 760 1HE MET 104 1HE MET 104 -6.849 -17.248 -19.772 761 2HE MET 104 2HE MET 104 -8.553 -16.822 -19.612 762 3HE MET 104 3HE MET 104 -7.322 -15.850 -18.803 763 H LYS 105 H LYS 105 -10.424 -12.957 -19.276 764 HA LYS 105 HA LYS 105 -9.778 -10.433 -17.914 765 1HB LYS 105 1HB LYS 105 -11.623 -12.609 -16.937 766 2HB LYS 105 2HB LYS 105 -11.472 -10.966 -16.321 767 1HG LYS 105 1HG LYS 105 -12.581 -10.043 -18.142 768 2HG LYS 105 2HG LYS 105 -12.311 -11.468 -19.148 769 1HD LYS 105 1HD LYS 105 -14.619 -11.395 -18.481 770 2HD LYS 105 2HD LYS 105 -13.819 -12.744 -17.668 771 1HE LYS 105 1HE LYS 105 -15.246 -11.569 -16.108 772 2HE LYS 105 2HE LYS 105 -13.551 -11.354 -15.669 773 1HZ LYS 105 1HZ LYS 105 -14.876 -9.289 -15.534 774 2HZ LYS 105 2HZ LYS 105 -15.140 -9.370 -17.211 775 3HZ LYS 105 3HZ LYS 105 -13.570 -9.171 -16.606 776 H LEU 106 H LEU 106 -8.464 -10.547 -16.094 777 HA LEU 106 HA LEU 106 -7.081 -13.116 -15.754 778 1HB LEU 106 1HB LEU 106 -5.814 -10.384 -15.748 779 2HB LEU 106 2HB LEU 106 -4.985 -11.922 -15.599 780 HG LEU 106 HG LEU 106 -6.497 -11.013 -18.048 781 1HD1 LEU 106 1HD1 LEU 106 -4.529 -9.653 -17.650 782 2HD1 LEU 106 2HD1 LEU 106 -4.285 -10.720 -19.036 783 3HD1 LEU 106 3HD1 LEU 106 -3.544 -11.107 -17.483 784 1HD2 LEU 106 1HD2 LEU 106 -6.429 -13.449 -17.800 785 2HD2 LEU 106 2HD2 LEU 106 -4.677 -13.387 -17.608 786 3HD2 LEU 106 3HD2 LEU 106 -5.416 -12.912 -19.138 787 H LYS 107 H LYS 107 -6.526 -13.688 -13.825 788 HA LYS 107 HA LYS 107 -7.552 -12.228 -11.560 789 1HB LYS 107 1HB LYS 107 -6.507 -14.973 -11.961 790 2HB LYS 107 2HB LYS 107 -6.382 -14.291 -10.344 791 1HG LYS 107 1HG LYS 107 -8.418 -15.578 -10.565 792 2HG LYS 107 2HG LYS 107 -8.796 -13.872 -10.339 793 1HD LYS 107 1HD LYS 107 -9.090 -13.669 -12.799 794 2HD LYS 107 2HD LYS 107 -8.842 -15.410 -12.934 795 1HE LYS 107 1HE LYS 107 -11.199 -14.979 -12.952 796 2HE LYS 107 2HE LYS 107 -10.787 -15.745 -11.420 797 1HZ LYS 107 1HZ LYS 107 -11.241 -12.837 -11.844 798 2HZ LYS 107 2HZ LYS 107 -10.823 -13.559 -10.366 799 3HZ LYS 107 3HZ LYS 107 -12.310 -13.911 -11.090 800 H SER 108 H SER 108 -6.504 -10.805 -10.484 801 HA SER 108 HA SER 108 -4.056 -9.766 -11.050 802 1HB SER 108 1HB SER 108 -5.128 -9.792 -8.240 803 2HB SER 108 2HB SER 108 -4.321 -8.481 -9.101 804 HG SER 108 HG SER 108 -6.244 -7.836 -9.587 805 H GLU 109 H GLU 109 -4.807 -12.289 -8.708 806 HA GLU 109 HA GLU 109 -2.316 -12.426 -7.468 807 1HB GLU 109 1HB GLU 109 -4.333 -14.643 -7.827 808 2HB GLU 109 2HB GLU 109 -3.087 -14.554 -6.589 809 1HG GLU 109 1HG GLU 109 -4.162 -12.590 -5.640 810 2HG GLU 109 2HG GLU 109 -5.403 -12.658 -6.889 811 H PHE 110 H PHE 110 -3.150 -13.401 -10.650 812 HA PHE 110 HA PHE 110 -0.867 -15.253 -10.662 813 1HB PHE 110 1HB PHE 110 -3.284 -14.990 -12.433 814 2HB PHE 110 2HB PHE 110 -1.945 -16.053 -12.812 815 HD1 PHE 110 HD1 PHE 110 -5.001 -15.681 -11.040 816 HD2 PHE 110 HD2 PHE 110 -1.350 -17.859 -11.099 817 HE1 PHE 110 HE1 PHE 110 -6.029 -17.426 -9.645 818 HE2 PHE 110 HE2 PHE 110 -2.369 -19.611 -9.706 819 HZ PHE 110 HZ PHE 110 -4.712 -19.397 -8.976 820 H VAL 111 H VAL 111 -1.318 -12.084 -11.285 821 HA VAL 111 HA VAL 111 0.123 -12.191 -13.856 822 HB VAL 111 HB VAL 111 -0.832 -10.079 -14.469 823 1HG1 VAL 111 1HG1 VAL 111 -2.165 -12.035 -14.973 824 2HG1 VAL 111 2HG1 VAL 111 -3.219 -10.678 -14.571 825 3HG1 VAL 111 3HG1 VAL 111 -2.928 -11.953 -13.384 826 1HG2 VAL 111 1HG2 VAL 111 -2.169 -10.091 -11.765 827 2HG2 VAL 111 2HG2 VAL 111 -2.453 -8.915 -13.049 828 3HG2 VAL 111 3HG2 VAL 111 -0.869 -9.015 -12.283 829 H ARG 112 H ARG 112 1.398 -10.189 -14.324 830 HA ARG 112 HA ARG 112 2.545 -8.793 -12.074 831 1HB ARG 112 1HB ARG 112 4.081 -10.465 -11.828 832 2HB ARG 112 2HB ARG 112 3.944 -10.985 -13.502 833 1HG ARG 112 1HG ARG 112 5.368 -9.247 -14.252 834 2HG ARG 112 2HG ARG 112 5.315 -8.441 -12.686 835 1HD ARG 112 1HD ARG 112 7.065 -9.613 -12.000 836 2HD ARG 112 2HD ARG 112 6.207 -11.117 -12.306 837 HE ARG 112 HE ARG 112 7.466 -11.405 -14.176 838 1HH1 ARG 112 1HH1 ARG 112 7.614 -8.005 -13.310 839 2HH1 ARG 112 2HH1 ARG 112 8.877 -7.649 -14.443 840 1HH2 ARG 112 1HH2 ARG 112 9.125 -10.925 -15.661 841 2HH2 ARG 112 2HH2 ARG 112 9.735 -9.297 -15.772 842 H LYS 113 H LYS 113 2.901 -6.749 -12.705 843 HA LYS 113 HA LYS 113 2.863 -5.842 -15.338 844 1HB LYS 113 1HB LYS 113 2.621 -4.346 -13.384 845 2HB LYS 113 2HB LYS 113 4.320 -4.593 -12.996 846 1HG LYS 113 1HG LYS 113 4.984 -3.571 -15.087 847 2HG LYS 113 2HG LYS 113 3.297 -3.390 -15.561 848 1HD LYS 113 1HD LYS 113 2.936 -1.864 -13.682 849 2HD LYS 113 2HD LYS 113 4.627 -2.054 -13.204 850 1HE LYS 113 1HE LYS 113 5.367 -1.086 -15.291 851 2HE LYS 113 2HE LYS 113 3.710 -1.009 -15.883 852 1HZ LYS 113 1HZ LYS 113 4.891 0.551 -13.654 853 2HZ LYS 113 2HZ LYS 113 3.235 0.525 -14.006 854 3HZ LYS 113 3HZ LYS 113 4.328 1.143 -15.141 855 H VAL 114 H VAL 114 4.236 -6.129 -16.945 856 HA VAL 114 HA VAL 114 6.732 -7.390 -16.766 857 HB VAL 114 HB VAL 114 5.898 -5.458 -18.936 858 1HG1 VAL 114 1HG1 VAL 114 7.777 -7.815 -18.974 859 2HG1 VAL 114 2HG1 VAL 114 8.231 -6.113 -19.048 860 3HG1 VAL 114 3HG1 VAL 114 7.324 -6.842 -20.373 861 1HG2 VAL 114 1HG2 VAL 114 5.276 -8.396 -18.704 862 2HG2 VAL 114 2HG2 VAL 114 4.948 -7.382 -20.109 863 3HG2 VAL 114 3HG2 VAL 114 4.118 -7.071 -18.583 864 H GLY 115 H GLY 115 5.853 -3.978 -16.923 865 1HA GLY 115 1HA GLY 115 7.514 -2.613 -15.502 866 2HA GLY 115 2HA GLY 115 8.682 -3.230 -16.665 867 H SER 116 H SER 116 6.511 -3.126 -18.747 868 HA SER 116 HA SER 116 6.840 -0.325 -19.452 869 1HB SER 116 1HB SER 116 7.317 -2.076 -21.146 870 2HB SER 116 2HB SER 116 5.641 -2.613 -21.044 871 HG SER 116 HG SER 116 5.198 -0.267 -21.586 Start of MODEL 12 1 H MET 1 H MET 1 17.428 14.383 10.308 2 HA MET 1 HA MET 1 15.134 13.786 9.813 3 1HB MET 1 1HB MET 1 15.671 11.875 8.380 4 2HB MET 1 2HB MET 1 16.965 13.063 8.346 5 1HG MET 1 1HG MET 1 18.208 11.183 8.543 6 2HG MET 1 2HG MET 1 17.946 11.515 10.253 7 1HE MET 1 1HE MET 1 18.534 9.030 10.927 8 2HE MET 1 2HE MET 1 17.087 8.097 11.311 9 3HE MET 1 3HE MET 1 17.220 9.777 11.837 10 H VAL 2 H VAL 2 15.636 13.048 12.700 11 HA VAL 2 HA VAL 2 14.779 10.356 13.011 12 HB VAL 2 HB VAL 2 16.122 11.588 14.722 13 1HG1 VAL 2 1HG1 VAL 2 13.495 12.945 15.310 14 2HG1 VAL 2 2HG1 VAL 2 14.958 13.712 14.692 15 3HG1 VAL 2 3HG1 VAL 2 14.940 13.030 16.318 16 1HG2 VAL 2 1HG2 VAL 2 15.021 9.506 15.292 17 2HG2 VAL 2 2HG2 VAL 2 13.537 10.376 15.685 18 3HG2 VAL 2 3HG2 VAL 2 14.986 10.616 16.662 19 H SER 3 H SER 3 13.207 13.242 12.385 20 HA SER 3 HA SER 3 10.600 12.137 13.159 21 1HB SER 3 1HB SER 3 11.257 14.958 12.263 22 2HB SER 3 2HB SER 3 9.717 14.392 12.909 23 HG SER 3 HG SER 3 11.222 13.738 14.798 24 H THR 4 H THR 4 10.163 10.732 11.514 25 HA THR 4 HA THR 4 9.851 11.943 8.844 26 HB THR 4 HB THR 4 10.232 9.592 7.947 27 HG1 THR 4 HG1 THR 4 10.158 8.303 9.724 28 1HG2 THR 4 1HG2 THR 4 12.533 10.982 9.322 29 2HG2 THR 4 2HG2 THR 4 11.901 11.358 7.718 30 3HG2 THR 4 3HG2 THR 4 12.676 9.802 8.019 31 H LEU 5 H LEU 5 8.041 11.628 11.129 32 HA LEU 5 HA LEU 5 6.153 9.560 10.489 33 1HB LEU 5 1HB LEU 5 5.827 11.949 12.314 34 2HB LEU 5 2HB LEU 5 4.848 10.496 12.301 35 HG LEU 5 HG LEU 5 7.789 10.372 12.879 36 1HD1 LEU 5 1HD1 LEU 5 5.564 10.803 14.861 37 2HD1 LEU 5 2HD1 LEU 5 6.810 11.975 14.435 38 3HD1 LEU 5 3HD1 LEU 5 7.253 10.476 15.251 39 1HD2 LEU 5 1HD2 LEU 5 5.451 8.605 13.592 40 2HD2 LEU 5 2HD2 LEU 5 7.133 8.318 14.035 41 3HD2 LEU 5 3HD2 LEU 5 6.650 8.285 12.339 42 HA PRO 6 HA PRO 6 3.581 11.929 7.743 43 1HB PRO 6 1HB PRO 6 1.125 10.967 8.300 44 2HB PRO 6 2HB PRO 6 2.342 9.978 7.480 45 1HG PRO 6 1HG PRO 6 1.592 10.032 10.381 46 2HG PRO 6 2HG PRO 6 1.810 8.627 9.322 47 1HD PRO 6 1HD PRO 6 3.743 9.455 11.016 48 2HD PRO 6 2HD PRO 6 4.122 8.749 9.431 49 HA PRO 7 HA PRO 7 2.041 15.364 10.097 50 1HB PRO 7 1HB PRO 7 0.059 15.864 7.992 51 2HB PRO 7 2HB PRO 7 1.428 16.860 8.496 52 1HG PRO 7 1HG PRO 7 1.388 15.544 6.139 53 2HG PRO 7 2HG PRO 7 2.885 15.814 7.050 54 1HD PRO 7 1HD PRO 7 1.207 13.339 6.847 55 2HD PRO 7 2HD PRO 7 2.976 13.504 6.869 56 H CYS 8 H CYS 8 -0.256 16.397 10.525 57 HA CYS 8 HA CYS 8 -1.962 14.231 11.486 58 1HB CYS 8 1HB CYS 8 -1.427 15.739 13.232 59 2HB CYS 8 2HB CYS 8 -1.664 17.144 12.203 60 HA PRO 9 HA PRO 9 -4.636 15.126 7.998 61 1HB PRO 9 1HB PRO 9 -6.670 13.469 8.710 62 2HB PRO 9 2HB PRO 9 -5.166 12.885 7.988 63 1HG PRO 9 1HG PRO 9 -5.976 12.962 10.871 64 2HG PRO 9 2HG PRO 9 -5.199 11.652 9.965 65 1HD PRO 9 1HD PRO 9 -3.797 13.287 11.571 66 2HD PRO 9 2HD PRO 9 -3.116 12.644 10.064 67 H GLN 10 H GLN 10 -4.800 16.300 10.940 68 HA GLN 10 HA GLN 10 -7.456 17.491 10.594 69 1HB GLN 10 1HB GLN 10 -5.994 17.076 13.209 70 2HB GLN 10 2HB GLN 10 -7.628 17.698 13.002 71 1HG GLN 10 1HG GLN 10 -8.421 15.601 12.235 72 2HG GLN 10 2HG GLN 10 -6.785 14.960 12.110 73 1HE2 GLN 10 1HE2 GLN 10 -5.668 14.433 14.000 74 2HE2 GLN 10 2HE2 GLN 10 -6.497 14.114 15.465 75 H CYS 11 H CYS 11 -4.015 18.100 11.626 76 HA CYS 11 HA CYS 11 -4.549 20.962 11.373 77 1HB CYS 11 1HB CYS 11 -2.171 19.536 12.595 78 2HB CYS 11 2HB CYS 11 -2.523 21.255 12.682 79 H ASN 12 H ASN 12 -2.239 18.393 10.631 80 HA ASN 12 HA ASN 12 -0.718 18.016 9.008 81 1HB ASN 12 1HB ASN 12 -2.724 18.941 7.598 82 2HB ASN 12 2HB ASN 12 -1.676 20.339 7.383 83 1HD2 ASN 12 1HD2 ASN 12 0.216 20.124 6.168 84 2HD2 ASN 12 2HD2 ASN 12 0.511 18.751 5.158 85 H SER 13 H SER 13 -0.739 20.633 10.884 86 HA SER 13 HA SER 13 1.132 22.399 9.865 87 1HB SER 13 1HB SER 13 0.911 21.714 12.793 88 2HB SER 13 2HB SER 13 1.355 23.261 12.069 89 HG SER 13 HG SER 13 -0.981 22.669 12.862 90 H GLU 14 H GLU 14 2.085 20.276 12.593 91 HA GLU 14 HA GLU 14 4.178 18.925 11.358 92 1HB GLU 14 1HB GLU 14 6.162 20.181 11.921 93 2HB GLU 14 2HB GLU 14 5.110 21.176 10.927 94 1HG GLU 14 1HG GLU 14 4.395 22.436 12.841 95 2HG GLU 14 2HG GLU 14 5.275 21.361 13.926 96 H TYR 15 H TYR 15 2.627 20.031 14.206 97 HA TYR 15 HA TYR 15 4.661 19.173 16.039 98 1HB TYR 15 1HB TYR 15 1.833 20.126 16.499 99 2HB TYR 15 2HB TYR 15 2.995 19.792 17.781 100 HD1 TYR 15 HD1 TYR 15 1.698 22.276 15.632 101 HD2 TYR 15 HD2 TYR 15 5.271 21.067 17.598 102 HE1 TYR 15 HE1 TYR 15 2.587 24.556 15.406 103 HE2 TYR 15 HE2 TYR 15 6.167 23.345 17.383 104 HH TYR 15 HH TYR 15 4.271 26.007 16.545 105 H THR 16 H THR 16 3.617 17.143 14.287 106 HA THR 16 HA THR 16 2.145 15.360 16.065 107 HB THR 16 HB THR 16 3.067 14.701 13.275 108 HG1 THR 16 HG1 THR 16 1.311 16.658 14.064 109 1HG2 THR 16 1HG2 THR 16 1.025 13.362 13.256 110 2HG2 THR 16 2HG2 THR 16 0.620 13.946 14.869 111 3HG2 THR 16 3HG2 THR 16 2.039 12.926 14.631 112 H TYR 17 H TYR 17 3.070 13.495 16.928 113 HA TYR 17 HA TYR 17 5.875 12.955 16.364 114 1HB TYR 17 1HB TYR 17 6.614 13.142 18.608 115 2HB TYR 17 2HB TYR 17 5.681 14.602 18.318 116 HD1 TYR 17 HD1 TYR 17 3.453 14.896 19.419 117 HD2 TYR 17 HD2 TYR 17 5.917 11.503 20.196 118 HE1 TYR 17 HE1 TYR 17 2.144 14.405 21.436 119 HE2 TYR 17 HE2 TYR 17 4.602 11.002 22.207 120 HH TYR 17 HH TYR 17 3.173 12.313 23.824 121 H GLU 18 H GLU 18 6.525 10.829 17.615 122 HA GLU 18 HA GLU 18 4.196 9.064 17.438 123 1HB GLU 18 1HB GLU 18 5.871 7.255 17.089 124 2HB GLU 18 2HB GLU 18 5.912 8.498 15.847 125 1HG GLU 18 1HG GLU 18 7.843 9.526 16.978 126 2HG GLU 18 2HG GLU 18 7.821 8.217 18.157 127 H ASP 19 H ASP 19 3.386 8.345 19.281 128 HA ASP 19 HA ASP 19 5.204 7.903 21.539 129 1HB ASP 19 1HB ASP 19 3.265 9.466 21.916 130 2HB ASP 19 2HB ASP 19 2.184 8.107 21.625 131 H GLY 20 H GLY 20 5.799 5.949 20.231 132 1HA GLY 20 1HA GLY 20 5.772 3.613 20.660 133 2HA GLY 20 2HA GLY 20 4.072 3.738 21.078 134 H ALA 21 H ALA 21 2.584 3.274 19.585 135 HA ALA 21 HA ALA 21 3.632 2.356 16.984 136 1HB ALA 21 1HB ALA 21 1.248 1.351 18.525 137 2HB ALA 21 2HB ALA 21 2.834 0.582 18.462 138 3HB ALA 21 3HB ALA 21 1.851 0.699 17.002 139 H LEU 22 H LEU 22 2.412 5.034 17.788 140 HA LEU 22 HA LEU 22 0.819 5.309 15.417 141 1HB LEU 22 1HB LEU 22 -1.196 6.040 16.367 142 2HB LEU 22 2HB LEU 22 -0.789 4.575 17.235 143 HG LEU 22 HG LEU 22 -0.206 7.332 18.313 144 1HD1 LEU 22 1HD1 LEU 22 -2.591 5.565 18.809 145 2HD1 LEU 22 2HD1 LEU 22 -2.597 7.104 17.946 146 3HD1 LEU 22 3HD1 LEU 22 -2.218 7.058 19.669 147 1HD2 LEU 22 1HD2 LEU 22 -0.075 6.164 20.454 148 2HD2 LEU 22 2HD2 LEU 22 1.096 5.516 19.306 149 3HD2 LEU 22 3HD2 LEU 22 -0.392 4.630 19.644 150 H LEU 23 H LEU 23 -0.050 7.730 15.418 151 HA LEU 23 HA LEU 23 2.090 9.440 16.455 152 1HB LEU 23 1HB LEU 23 0.129 10.436 14.431 153 2HB LEU 23 2HB LEU 23 1.780 10.936 14.709 154 HG LEU 23 HG LEU 23 1.857 9.918 12.632 155 1HD1 LEU 23 1HD1 LEU 23 3.621 9.035 14.021 156 2HD1 LEU 23 2HD1 LEU 23 3.082 7.841 12.839 157 3HD1 LEU 23 3HD1 LEU 23 2.572 7.709 14.522 158 1HD2 LEU 23 1HD2 LEU 23 -0.393 9.070 12.640 159 2HD2 LEU 23 2HD2 LEU 23 0.116 7.723 13.654 160 3HD2 LEU 23 3HD2 LEU 23 0.751 7.885 12.014 161 H VAL 24 H VAL 24 1.576 11.017 17.864 162 HA VAL 24 HA VAL 24 -1.245 11.386 18.581 163 HB VAL 24 HB VAL 24 1.195 11.761 20.330 164 1HG1 VAL 24 1HG1 VAL 24 -1.742 11.867 20.985 165 2HG1 VAL 24 2HG1 VAL 24 -0.627 13.232 20.929 166 3HG1 VAL 24 3HG1 VAL 24 -0.426 11.978 22.154 167 1HG2 VAL 24 1HG2 VAL 24 0.869 9.413 19.845 168 2HG2 VAL 24 2HG2 VAL 24 -0.828 9.528 20.318 169 3HG2 VAL 24 3HG2 VAL 24 0.441 9.755 21.522 170 H CYS 25 H CYS 25 -2.001 13.465 18.265 171 HA CYS 25 HA CYS 25 0.032 15.486 17.665 172 1HB CYS 25 1HB CYS 25 -1.680 14.963 15.927 173 2HB CYS 25 2HB CYS 25 -2.929 15.475 17.053 174 HA PRO 26 HA PRO 26 -1.270 17.029 21.728 175 1HB PRO 26 1HB PRO 26 0.873 18.661 22.050 176 2HB PRO 26 2HB PRO 26 0.926 16.931 22.412 177 1HG PRO 26 1HG PRO 26 1.901 18.395 19.999 178 2HG PRO 26 2HG PRO 26 2.655 17.052 20.875 179 1HD PRO 26 1HD PRO 26 1.276 16.734 18.547 180 2HD PRO 26 2HD PRO 26 1.388 15.473 19.791 181 H GLU 27 H GLU 27 -0.808 18.335 18.688 182 HA GLU 27 HA GLU 27 -1.205 21.093 19.171 183 1HB GLU 27 1HB GLU 27 -0.294 19.795 17.078 184 2HB GLU 27 2HB GLU 27 -1.987 19.750 16.612 185 1HG GLU 27 1HG GLU 27 -2.066 22.195 16.713 186 2HG GLU 27 2HG GLU 27 -0.354 22.219 17.139 187 H CYS 28 H CYS 28 -3.495 18.709 17.643 188 HA CYS 28 HA CYS 28 -5.671 20.387 18.595 189 1HB CYS 28 1HB CYS 28 -7.087 18.988 17.118 190 2HB CYS 28 2HB CYS 28 -5.768 19.775 16.260 191 H ALA 29 H ALA 29 -4.013 18.085 20.143 192 HA ALA 29 HA ALA 29 -4.451 16.650 21.808 193 1HB ALA 29 1HB ALA 29 -7.131 18.033 21.881 194 2HB ALA 29 2HB ALA 29 -5.667 18.575 22.702 195 3HB ALA 29 3HB ALA 29 -6.428 17.054 23.169 196 H HIS 30 H HIS 30 -4.717 15.490 19.354 197 HA HIS 30 HA HIS 30 -6.649 13.399 19.942 198 1HB HIS 30 1HB HIS 30 -7.591 15.328 18.369 199 2HB HIS 30 2HB HIS 30 -6.694 14.445 17.151 200 HD1 HIS 30 HD1 HIS 30 -7.827 12.432 16.152 201 HD2 HIS 30 HD2 HIS 30 -9.634 13.719 19.669 202 HE1 HIS 30 HE1 HIS 30 -9.941 11.096 16.356 203 HE2 HIS 30 HE2 HIS 30 -11.118 12.050 18.365 204 H GLU 31 H GLU 31 -5.907 11.416 19.303 205 HA GLU 31 HA GLU 31 -3.384 11.414 17.769 206 1HB GLU 31 1HB GLU 31 -2.857 9.303 19.006 207 2HB GLU 31 2HB GLU 31 -2.921 10.742 20.012 208 1HG GLU 31 1HG GLU 31 -5.200 10.108 20.710 209 2HG GLU 31 2HG GLU 31 -5.050 8.629 19.763 210 H TRP 32 H TRP 32 -2.945 9.347 16.608 211 HA TRP 32 HA TRP 32 -5.144 7.677 15.836 212 1HB TRP 32 1HB TRP 32 -5.503 8.399 13.619 213 2HB TRP 32 2HB TRP 32 -5.474 9.893 14.548 214 HD1 TRP 32 HD1 TRP 32 -2.444 10.510 14.715 215 HE1 TRP 32 HE1 TRP 32 -1.067 11.068 12.611 216 HE3 TRP 32 HE3 TRP 32 -5.487 8.426 11.187 217 HZ2 TRP 32 HZ2 TRP 32 -1.256 10.685 9.824 218 HZ3 TRP 32 HZ3 TRP 32 -4.822 8.572 8.824 219 HH2 TRP 32 HH2 TRP 32 -2.751 9.676 8.155 220 H SER 33 H SER 33 -4.410 6.075 14.194 221 HA SER 33 HA SER 33 -1.478 5.820 14.206 222 1HB SER 33 1HB SER 33 -2.652 4.005 15.433 223 2HB SER 33 2HB SER 33 -3.537 3.603 13.963 224 HG SER 33 HG SER 33 -1.015 2.913 14.711 225 HA PRO 34 HA PRO 34 -1.494 6.674 9.942 226 1HB PRO 34 1HB PRO 34 0.545 5.040 9.056 227 2HB PRO 34 2HB PRO 34 0.780 6.599 9.851 228 1HG PRO 34 1HG PRO 34 0.892 3.843 11.018 229 2HG PRO 34 2HG PRO 34 1.962 5.229 11.307 230 1HD PRO 34 1HD PRO 34 0.072 4.590 13.069 231 2HD PRO 34 2HD PRO 34 0.437 6.266 12.704 232 H ASN 35 H ASN 35 -1.066 3.189 10.548 233 HA ASN 35 HA ASN 35 -2.667 2.654 8.155 234 1HB ASN 35 1HB ASN 35 -1.800 0.340 8.332 235 2HB ASN 35 2HB ASN 35 -0.522 1.539 8.177 236 1HD2 ASN 35 1HD2 ASN 35 -1.983 -0.846 10.200 237 2HD2 ASN 35 2HD2 ASN 35 -0.788 -0.818 11.447 238 H GLU 36 H GLU 36 -2.580 2.055 11.629 239 HA GLU 36 HA GLU 36 -4.618 0.089 11.626 240 1HB GLU 36 1HB GLU 36 -3.444 1.773 13.823 241 2HB GLU 36 2HB GLU 36 -4.701 0.578 14.113 242 1HG GLU 36 1HG GLU 36 -2.006 0.002 12.904 243 2HG GLU 36 2HG GLU 36 -2.451 -0.276 14.587 244 H ALA 37 H ALA 37 -4.801 3.467 11.293 245 HA ALA 37 HA ALA 37 -7.395 3.847 12.395 246 1HB ALA 37 1HB ALA 37 -5.905 5.734 11.895 247 2HB ALA 37 2HB ALA 37 -7.463 5.901 11.085 248 3HB ALA 37 3HB ALA 37 -6.046 5.382 10.172 249 H ALA 38 H ALA 38 -6.160 2.755 9.311 250 HA ALA 38 HA ALA 38 -8.791 2.631 8.101 251 1HB ALA 38 1HB ALA 38 -6.123 1.693 7.056 252 2HB ALA 38 2HB ALA 38 -6.858 3.265 6.743 253 3HB ALA 38 3HB ALA 38 -7.623 1.797 6.133 254 H THR 39 H THR 39 -6.307 0.381 9.267 255 HA THR 39 HA THR 39 -7.747 -1.943 8.425 256 HB THR 39 HB THR 39 -5.960 -3.072 9.952 257 HG1 THR 39 HG1 THR 39 -4.499 -1.765 10.809 258 1HG2 THR 39 1HG2 THR 39 -5.911 -3.087 7.501 259 2HG2 THR 39 2HG2 THR 39 -4.293 -2.870 8.168 260 3HG2 THR 39 3HG2 THR 39 -5.165 -1.489 7.505 261 H ALA 40 H ALA 40 -7.387 -0.192 11.441 262 HA ALA 40 HA ALA 40 -8.455 -0.282 13.433 263 1HB ALA 40 1HB ALA 40 -10.537 -0.524 12.154 264 2HB ALA 40 2HB ALA 40 -10.582 -1.422 13.672 265 3HB ALA 40 3HB ALA 40 -10.321 -2.274 12.150 266 H SER 41 H SER 41 -7.276 -1.095 14.981 267 HA SER 41 HA SER 41 -5.924 -3.537 14.897 268 1HB SER 41 1HB SER 41 -6.639 -1.908 17.344 269 2HB SER 41 2HB SER 41 -5.319 -3.070 17.205 270 HG SER 41 HG SER 41 -4.598 -1.643 15.387 271 H ASP 42 H ASP 42 -6.831 -5.464 14.894 272 HA ASP 42 HA ASP 42 -8.637 -6.226 17.038 273 1HB ASP 42 1HB ASP 42 -10.010 -5.435 15.016 274 2HB ASP 42 2HB ASP 42 -9.381 -6.842 14.169 275 H ASP 43 H ASP 43 -9.228 -8.787 15.665 276 HA ASP 43 HA ASP 43 -7.007 -10.263 16.543 277 1HB ASP 43 1HB ASP 43 -9.228 -11.259 16.370 278 2HB ASP 43 2HB ASP 43 -9.197 -11.071 14.618 279 H GLY 44 H GLY 44 -7.936 -9.167 13.315 280 1HA GLY 44 1HA GLY 44 -6.161 -8.414 11.848 281 2HA GLY 44 2HA GLY 44 -5.161 -9.713 12.482 282 H LYS 45 H LYS 45 -8.525 -9.795 11.328 283 HA LYS 45 HA LYS 45 -7.940 -12.050 9.652 284 1HB LYS 45 1HB LYS 45 -10.414 -10.399 10.105 285 2HB LYS 45 2HB LYS 45 -10.347 -11.636 8.855 286 1HG LYS 45 1HG LYS 45 -9.845 -12.109 11.786 287 2HG LYS 45 2HG LYS 45 -11.357 -12.443 10.942 288 1HD LYS 45 1HD LYS 45 -8.691 -13.675 10.247 289 2HD LYS 45 2HD LYS 45 -9.926 -14.453 11.237 290 1HE LYS 45 1HE LYS 45 -11.486 -14.390 9.366 291 2HE LYS 45 2HE LYS 45 -10.291 -13.554 8.377 292 1HZ LYS 45 1HZ LYS 45 -10.494 -16.015 8.012 293 2HZ LYS 45 2HZ LYS 45 -9.805 -16.237 9.546 294 3HZ LYS 45 3HZ LYS 45 -8.921 -15.459 8.325 295 H VAL 46 H VAL 46 -6.506 -11.506 8.140 296 HA VAL 46 HA VAL 46 -7.399 -9.641 6.045 297 HB VAL 46 HB VAL 46 -4.504 -9.983 6.854 298 1HG1 VAL 46 1HG1 VAL 46 -4.891 -9.263 4.560 299 2HG1 VAL 46 2HG1 VAL 46 -4.154 -7.978 5.517 300 3HG1 VAL 46 3HG1 VAL 46 -5.874 -7.922 5.143 301 1HG2 VAL 46 1HG2 VAL 46 -6.368 -7.744 7.632 302 2HG2 VAL 46 2HG2 VAL 46 -4.628 -7.783 7.917 303 3HG2 VAL 46 3HG2 VAL 46 -5.679 -8.950 8.720 304 H ILE 47 H ILE 47 -6.555 -10.217 3.915 305 HA ILE 47 HA ILE 47 -6.444 -13.104 3.642 306 HB ILE 47 HB ILE 47 -6.210 -11.281 1.295 307 1HG1 ILE 47 1HG1 ILE 47 -7.901 -10.205 2.729 308 2HG1 ILE 47 2HG1 ILE 47 -8.618 -10.874 1.269 309 1HG2 ILE 47 1HG2 ILE 47 -7.800 -13.000 0.349 310 2HG2 ILE 47 2HG2 ILE 47 -7.630 -13.881 1.868 311 3HG2 ILE 47 3HG2 ILE 47 -6.222 -13.627 0.838 312 1HD1 ILE 47 1HD1 ILE 47 -10.017 -11.271 3.206 313 2HD1 ILE 47 2HD1 ILE 47 -8.694 -12.122 4.004 314 3HD1 ILE 47 3HD1 ILE 47 -9.419 -12.791 2.542 315 H LYS 48 H LYS 48 -4.692 -14.265 3.031 316 HA LYS 48 HA LYS 48 -2.152 -12.825 2.784 317 1HB LYS 48 1HB LYS 48 -2.950 -15.413 3.958 318 2HB LYS 48 2HB LYS 48 -1.421 -15.409 3.096 319 1HG LYS 48 1HG LYS 48 -0.422 -14.530 4.857 320 2HG LYS 48 2HG LYS 48 -1.485 -13.123 4.767 321 1HD LYS 48 1HD LYS 48 -2.327 -15.698 6.076 322 2HD LYS 48 2HD LYS 48 -1.526 -14.393 6.958 323 1HE LYS 48 1HE LYS 48 -3.288 -12.902 6.587 324 2HE LYS 48 2HE LYS 48 -3.965 -13.890 5.294 325 1HZ LYS 48 1HZ LYS 48 -5.204 -13.959 7.434 326 2HZ LYS 48 2HZ LYS 48 -3.880 -14.756 8.133 327 3HZ LYS 48 3HZ LYS 48 -4.732 -15.478 6.853 328 H ASP 49 H ASP 49 -0.492 -14.164 1.544 329 HA ASP 49 HA ASP 49 -1.658 -15.151 -0.981 330 1HB ASP 49 1HB ASP 49 1.147 -14.134 -0.543 331 2HB ASP 49 2HB ASP 49 0.367 -14.459 -2.078 332 H SER 50 H SER 50 -0.204 -16.782 -2.064 333 HA SER 50 HA SER 50 0.300 -18.992 -0.310 334 1HB SER 50 1HB SER 50 1.075 -20.177 -2.291 335 2HB SER 50 2HB SER 50 -0.375 -19.249 -2.686 336 HG SER 50 HG SER 50 0.992 -17.638 -3.564 337 H VAL 51 H VAL 51 1.963 -16.330 -0.875 338 HA VAL 51 HA VAL 51 4.689 -17.379 -0.834 339 HB VAL 51 HB VAL 51 3.965 -14.487 -0.520 340 1HG1 VAL 51 1HG1 VAL 51 6.065 -14.175 -1.763 341 2HG1 VAL 51 2HG1 VAL 51 6.291 -15.925 -1.761 342 3HG1 VAL 51 3HG1 VAL 51 6.277 -15.037 -0.236 343 1HG2 VAL 51 1HG2 VAL 51 2.634 -15.290 -2.352 344 2HG2 VAL 51 2HG2 VAL 51 4.052 -16.043 -3.086 345 3HG2 VAL 51 3HG2 VAL 51 3.953 -14.286 -2.955 346 H GLY 52 H GLY 52 2.280 -16.538 1.288 347 1HA GLY 52 1HA GLY 52 2.327 -16.917 3.612 348 2HA GLY 52 2HA GLY 52 4.081 -16.785 3.573 349 H ASN 53 H ASN 53 2.794 -14.308 1.782 350 HA ASN 53 HA ASN 53 3.170 -12.474 4.027 351 1HB ASN 53 1HB ASN 53 2.795 -10.862 1.825 352 2HB ASN 53 2HB ASN 53 4.346 -11.334 2.503 353 1HD2 ASN 53 1HD2 ASN 53 1.877 -12.338 0.176 354 2HD2 ASN 53 2HD2 ASN 53 3.005 -13.051 -0.939 355 H VAL 54 H VAL 54 1.877 -10.505 3.896 356 HA VAL 54 HA VAL 54 -0.988 -11.223 3.662 357 HB VAL 54 HB VAL 54 0.128 -9.210 5.616 358 1HG1 VAL 54 1HG1 VAL 54 -2.037 -9.496 6.726 359 2HG1 VAL 54 2HG1 VAL 54 -2.536 -10.601 5.442 360 3HG1 VAL 54 3HG1 VAL 54 -2.212 -8.906 5.073 361 1HG2 VAL 54 1HG2 VAL 54 1.048 -11.398 6.156 362 2HG2 VAL 54 2HG2 VAL 54 -0.570 -12.101 6.114 363 3HG2 VAL 54 3HG2 VAL 54 -0.154 -10.915 7.353 364 H LEU 55 H LEU 55 -2.450 -9.633 2.835 365 HA LEU 55 HA LEU 55 -1.081 -7.694 1.143 366 1HB LEU 55 1HB LEU 55 -3.849 -8.898 0.985 367 2HB LEU 55 2HB LEU 55 -3.165 -7.776 -0.182 368 HG LEU 55 HG LEU 55 -1.844 -10.377 0.434 369 1HD1 LEU 55 1HD1 LEU 55 -4.145 -10.859 -0.268 370 2HD1 LEU 55 2HD1 LEU 55 -2.914 -11.442 -1.392 371 3HD1 LEU 55 3HD1 LEU 55 -3.831 -9.974 -1.763 372 1HD2 LEU 55 1HD2 LEU 55 -1.713 -8.453 -1.850 373 2HD2 LEU 55 2HD2 LEU 55 -0.967 -10.052 -1.868 374 3HD2 LEU 55 3HD2 LEU 55 -0.440 -8.844 -0.694 375 H GLN 56 H GLN 56 -2.539 -5.807 0.558 376 HA GLN 56 HA GLN 56 -3.831 -4.691 2.957 377 1HB GLN 56 1HB GLN 56 -1.591 -3.689 2.559 378 2HB GLN 56 2HB GLN 56 -2.090 -3.241 0.939 379 1HG GLN 56 1HG GLN 56 -2.114 -1.352 2.493 380 2HG GLN 56 2HG GLN 56 -3.708 -1.686 1.819 381 1HE2 GLN 56 1HE2 GLN 56 -5.361 -2.059 3.175 382 2HE2 GLN 56 2HE2 GLN 56 -5.220 -2.180 4.891 383 H ASP 57 H ASP 57 -5.719 -3.437 2.505 384 HA ASP 57 HA ASP 57 -7.095 -4.173 0.134 385 1HB ASP 57 1HB ASP 57 -8.135 -3.746 2.401 386 2HB ASP 57 2HB ASP 57 -7.862 -2.029 2.122 387 H GLY 58 H GLY 58 -6.169 -3.382 -1.666 388 1HA GLY 58 1HA GLY 58 -6.439 -1.381 -3.152 389 2HA GLY 58 2HA GLY 58 -5.718 -0.465 -1.832 390 H ASP 59 H ASP 59 -4.181 -3.203 -1.539 391 HA ASP 59 HA ASP 59 -1.761 -2.395 -2.744 392 1HB ASP 59 1HB ASP 59 -2.080 -3.919 -0.731 393 2HB ASP 59 2HB ASP 59 -2.492 -5.191 -1.872 394 H THR 60 H THR 60 -0.513 -3.837 -4.280 395 HA THR 60 HA THR 60 -2.270 -4.759 -6.436 396 HB THR 60 HB THR 60 0.671 -4.049 -6.572 397 HG1 THR 60 HG1 THR 60 0.079 -2.061 -7.176 398 1HG2 THR 60 1HG2 THR 60 -1.353 -4.561 -8.751 399 2HG2 THR 60 2HG2 THR 60 -0.038 -5.638 -8.283 400 3HG2 THR 60 3HG2 THR 60 0.322 -4.066 -8.996 401 H ILE 61 H ILE 61 -2.086 -6.868 -7.120 402 HA ILE 61 HA ILE 61 -0.195 -8.539 -5.590 403 HB ILE 61 HB ILE 61 -1.845 -10.265 -5.366 404 1HG1 ILE 61 1HG1 ILE 61 -4.300 -9.326 -6.156 405 2HG1 ILE 61 2HG1 ILE 61 -3.255 -8.718 -7.433 406 1HG2 ILE 61 1HG2 ILE 61 -3.505 -9.189 -3.949 407 2HG2 ILE 61 2HG2 ILE 61 -3.100 -7.622 -4.650 408 3HG2 ILE 61 3HG2 ILE 61 -1.905 -8.495 -3.694 409 1HD1 ILE 61 1HD1 ILE 61 -3.522 -11.584 -6.567 410 2HD1 ILE 61 2HD1 ILE 61 -2.416 -10.986 -7.803 411 3HD1 ILE 61 3HD1 ILE 61 -4.160 -10.864 -8.047 412 H THR 62 H THR 62 0.046 -10.742 -6.681 413 HA THR 62 HA THR 62 -0.529 -10.779 -9.527 414 HB THR 62 HB THR 62 2.216 -10.624 -8.362 415 HG1 THR 62 HG1 THR 62 0.781 -9.003 -9.705 416 1HG2 THR 62 1HG2 THR 62 3.168 -11.530 -10.445 417 2HG2 THR 62 2HG2 THR 62 1.546 -11.984 -10.972 418 3HG2 THR 62 3HG2 THR 62 2.258 -12.746 -9.547 419 H VAL 63 H VAL 63 -1.327 -12.701 -9.990 420 HA VAL 63 HA VAL 63 -1.212 -14.963 -8.302 421 HB VAL 63 HB VAL 63 -2.856 -14.299 -10.303 422 1HG1 VAL 63 1HG1 VAL 63 -0.886 -16.136 -11.606 423 2HG1 VAL 63 2HG1 VAL 63 -1.304 -14.492 -12.093 424 3HG1 VAL 63 3HG1 VAL 63 -2.497 -15.784 -12.232 425 1HG2 VAL 63 1HG2 VAL 63 -2.169 -17.139 -9.570 426 2HG2 VAL 63 2HG2 VAL 63 -3.669 -16.614 -10.334 427 3HG2 VAL 63 3HG2 VAL 63 -3.277 -16.077 -8.698 428 H ILE 64 H ILE 64 0.420 -16.332 -8.042 429 HA ILE 64 HA ILE 64 2.574 -16.323 -9.945 430 HB ILE 64 HB ILE 64 3.859 -17.528 -8.310 431 1HG1 ILE 64 1HG1 ILE 64 1.797 -18.900 -7.521 432 2HG1 ILE 64 2HG1 ILE 64 3.035 -18.494 -6.341 433 1HG2 ILE 64 1HG2 ILE 64 2.212 -15.355 -7.044 434 2HG2 ILE 64 2HG2 ILE 64 3.658 -15.132 -8.034 435 3HG2 ILE 64 3HG2 ILE 64 3.776 -15.926 -6.461 436 1HD1 ILE 64 1HD1 ILE 64 0.305 -17.328 -6.668 437 2HD1 ILE 64 2HD1 ILE 64 1.564 -16.523 -5.731 438 3HD1 ILE 64 3HD1 ILE 64 1.010 -18.131 -5.269 439 H LYS 65 H LYS 65 -0.136 -17.980 -10.416 440 HA LYS 65 HA LYS 65 1.268 -20.358 -11.222 441 1HB LYS 65 1HB LYS 65 -1.077 -20.323 -9.316 442 2HB LYS 65 2HB LYS 65 -0.622 -21.746 -10.245 443 1HG LYS 65 1HG LYS 65 1.237 -22.136 -9.009 444 2HG LYS 65 2HG LYS 65 1.488 -20.430 -8.635 445 1HD LYS 65 1HD LYS 65 -0.391 -20.489 -7.084 446 2HD LYS 65 2HD LYS 65 -0.661 -22.193 -7.462 447 1HE LYS 65 1HE LYS 65 1.619 -22.689 -6.629 448 2HE LYS 65 2HE LYS 65 1.789 -20.997 -6.165 449 1HZ LYS 65 1HZ LYS 65 -0.241 -22.896 -5.106 450 2HZ LYS 65 2HZ LYS 65 -0.095 -21.268 -4.660 451 3HZ LYS 65 3HZ LYS 65 1.144 -22.362 -4.286 452 H ASP 66 H ASP 66 -0.063 -21.603 -12.700 453 HA ASP 66 HA ASP 66 -1.737 -19.930 -14.328 454 1HB ASP 66 1HB ASP 66 -1.650 -21.585 -16.003 455 2HB ASP 66 2HB ASP 66 -0.066 -21.589 -15.243 456 H LEU 67 H LEU 67 -3.739 -19.574 -13.985 457 HA LEU 67 HA LEU 67 -5.583 -21.822 -13.531 458 1HB LEU 67 1HB LEU 67 -5.915 -19.057 -12.349 459 2HB LEU 67 2HB LEU 67 -7.030 -20.393 -12.180 460 HG LEU 67 HG LEU 67 -5.007 -21.571 -11.005 461 1HD1 LEU 67 1HD1 LEU 67 -4.312 -18.658 -10.667 462 2HD1 LEU 67 2HD1 LEU 67 -3.350 -19.865 -11.522 463 3HD1 LEU 67 3HD1 LEU 67 -3.590 -20.001 -9.780 464 1HD2 LEU 67 1HD2 LEU 67 -5.768 -20.653 -8.867 465 2HD2 LEU 67 2HD2 LEU 67 -7.120 -21.016 -9.939 466 3HD2 LEU 67 3HD2 LEU 67 -6.588 -19.349 -9.725 467 H LYS 68 H LYS 68 -7.522 -21.646 -14.750 468 HA LYS 68 HA LYS 68 -7.593 -19.489 -16.691 469 1HB LYS 68 1HB LYS 68 -9.365 -20.644 -17.794 470 2HB LYS 68 2HB LYS 68 -8.119 -21.811 -17.379 471 1HG LYS 68 1HG LYS 68 -9.425 -22.870 -15.821 472 2HG LYS 68 2HG LYS 68 -10.412 -21.438 -15.517 473 1HD LYS 68 1HD LYS 68 -11.633 -23.202 -16.742 474 2HD LYS 68 2HD LYS 68 -11.515 -21.693 -17.649 475 1HE LYS 68 1HE LYS 68 -9.556 -22.660 -18.858 476 2HE LYS 68 2HE LYS 68 -9.881 -24.194 -18.048 477 1HZ LYS 68 1HZ LYS 68 -12.141 -24.112 -19.045 478 2HZ LYS 68 2HZ LYS 68 -10.890 -24.253 -20.181 479 3HZ LYS 68 3HZ LYS 68 -11.653 -22.759 -19.944 480 H VAL 69 H VAL 69 -10.055 -18.811 -17.199 481 HA VAL 69 HA VAL 69 -11.163 -17.780 -14.656 482 HB VAL 69 HB VAL 69 -11.114 -16.254 -17.273 483 1HG1 VAL 69 1HG1 VAL 69 -11.974 -14.388 -15.935 484 2HG1 VAL 69 2HG1 VAL 69 -12.042 -15.437 -14.519 485 3HG1 VAL 69 3HG1 VAL 69 -13.076 -15.765 -15.910 486 1HG2 VAL 69 1HG2 VAL 69 -9.560 -14.722 -16.138 487 2HG2 VAL 69 2HG2 VAL 69 -8.883 -16.340 -16.322 488 3HG2 VAL 69 3HG2 VAL 69 -9.508 -15.817 -14.758 489 H LYS 70 H LYS 70 -13.386 -18.155 -14.409 490 HA LYS 70 HA LYS 70 -14.495 -20.206 -15.866 491 1HB LYS 70 1HB LYS 70 -14.980 -19.263 -13.507 492 2HB LYS 70 2HB LYS 70 -16.097 -18.184 -14.324 493 1HG LYS 70 1HG LYS 70 -17.498 -19.871 -13.702 494 2HG LYS 70 2HG LYS 70 -17.043 -20.414 -15.319 495 1HD LYS 70 1HD LYS 70 -15.476 -21.972 -14.447 496 2HD LYS 70 2HD LYS 70 -15.597 -21.285 -12.825 497 1HE LYS 70 1HE LYS 70 -17.993 -21.979 -12.797 498 2HE LYS 70 2HE LYS 70 -17.718 -22.806 -14.329 499 1HZ LYS 70 1HZ LYS 70 -16.292 -23.392 -11.785 500 2HZ LYS 70 2HZ LYS 70 -16.091 -24.215 -13.256 501 3HZ LYS 70 3HZ LYS 70 -17.568 -24.305 -12.428 502 H GLY 71 H GLY 71 -14.933 -20.044 -18.001 503 1HA GLY 71 1HA GLY 71 -16.285 -19.625 -19.807 504 2HA GLY 71 2HA GLY 71 -17.346 -18.742 -18.726 505 H SER 72 H SER 72 -14.302 -17.414 -18.516 506 HA SER 72 HA SER 72 -15.168 -15.212 -20.240 507 1HB SER 72 1HB SER 72 -13.016 -15.228 -18.113 508 2HB SER 72 2HB SER 72 -13.702 -13.813 -18.915 509 HG SER 72 HG SER 72 -15.481 -15.544 -17.651 510 H SER 73 H SER 73 -13.398 -13.965 -21.326 511 HA SER 73 HA SER 73 -11.755 -15.797 -22.852 512 1HB SER 73 1HB SER 73 -11.180 -13.654 -24.109 513 2HB SER 73 2HB SER 73 -12.877 -14.133 -24.133 514 HG SER 73 HG SER 73 -12.724 -11.935 -23.651 515 H LEU 74 H LEU 74 -11.400 -14.211 -19.994 516 HA LEU 74 HA LEU 74 -8.637 -13.424 -20.258 517 1HB LEU 74 1HB LEU 74 -10.506 -12.449 -18.693 518 2HB LEU 74 2HB LEU 74 -10.036 -13.761 -17.631 519 HG LEU 74 HG LEU 74 -7.716 -12.877 -17.611 520 1HD1 LEU 74 1HD1 LEU 74 -8.908 -10.597 -19.174 521 2HD1 LEU 74 2HD1 LEU 74 -7.731 -11.765 -19.774 522 3HD1 LEU 74 3HD1 LEU 74 -7.284 -10.642 -18.489 523 1HD2 LEU 74 1HD2 LEU 74 -9.262 -12.257 -15.845 524 2HD2 LEU 74 2HD2 LEU 74 -9.838 -10.900 -16.812 525 3HD2 LEU 74 3HD2 LEU 74 -8.175 -10.921 -16.226 526 H VAL 75 H VAL 75 -7.281 -14.397 -18.138 527 HA VAL 75 HA VAL 75 -7.282 -17.153 -18.016 528 HB VAL 75 HB VAL 75 -5.299 -15.982 -19.988 529 1HG1 VAL 75 1HG1 VAL 75 -5.432 -18.757 -18.805 530 2HG1 VAL 75 2HG1 VAL 75 -4.199 -17.541 -18.463 531 3HG1 VAL 75 3HG1 VAL 75 -4.328 -18.236 -20.079 532 1HG2 VAL 75 1HG2 VAL 75 -7.382 -18.148 -20.303 533 2HG2 VAL 75 2HG2 VAL 75 -6.204 -17.676 -21.534 534 3HG2 VAL 75 3HG2 VAL 75 -7.440 -16.530 -21.010 535 H VAL 76 H VAL 76 -6.247 -17.472 -16.118 536 HA VAL 76 HA VAL 76 -4.798 -15.195 -15.022 537 HB VAL 76 HB VAL 76 -5.771 -17.716 -13.659 538 1HG1 VAL 76 1HG1 VAL 76 -4.647 -15.185 -12.488 539 2HG1 VAL 76 2HG1 VAL 76 -3.837 -16.751 -12.541 540 3HG1 VAL 76 3HG1 VAL 76 -5.302 -16.548 -11.580 541 1HG2 VAL 76 1HG2 VAL 76 -7.479 -16.259 -12.683 542 2HG2 VAL 76 2HG2 VAL 76 -7.600 -16.319 -14.442 543 3HG2 VAL 76 3HG2 VAL 76 -6.879 -14.916 -13.655 544 H LYS 77 H LYS 77 -2.787 -15.226 -15.767 545 HA LYS 77 HA LYS 77 -1.265 -17.735 -15.559 546 1HB LYS 77 1HB LYS 77 0.330 -16.653 -17.203 547 2HB LYS 77 2HB LYS 77 -1.245 -17.116 -17.820 548 1HG LYS 77 1HG LYS 77 -0.770 -15.028 -18.773 549 2HG LYS 77 2HG LYS 77 -1.934 -14.702 -17.491 550 1HD LYS 77 1HD LYS 77 -0.259 -13.828 -16.067 551 2HD LYS 77 2HD LYS 77 1.035 -14.447 -17.094 552 1HE LYS 77 1HE LYS 77 0.416 -12.893 -18.850 553 2HE LYS 77 2HE LYS 77 -0.954 -12.326 -17.897 554 1HZ LYS 77 1HZ LYS 77 0.428 -11.242 -16.406 555 2HZ LYS 77 2HZ LYS 77 1.193 -10.956 -17.894 556 3HZ LYS 77 3HZ LYS 77 1.798 -12.141 -16.845 557 H VAL 78 H VAL 78 0.717 -17.812 -14.614 558 HA VAL 78 HA VAL 78 1.240 -16.328 -12.358 559 HB VAL 78 HB VAL 78 2.426 -18.363 -12.617 560 1HG1 VAL 78 1HG1 VAL 78 4.123 -18.749 -14.344 561 2HG1 VAL 78 2HG1 VAL 78 3.735 -17.186 -15.063 562 3HG1 VAL 78 3HG1 VAL 78 2.526 -18.469 -15.038 563 1HG2 VAL 78 1HG2 VAL 78 4.762 -17.732 -12.215 564 2HG2 VAL 78 2HG2 VAL 78 3.644 -16.682 -11.345 565 3HG2 VAL 78 3HG2 VAL 78 4.424 -16.110 -12.819 566 H GLY 79 H GLY 79 1.061 -14.179 -12.508 567 1HA GLY 79 1HA GLY 79 2.826 -12.303 -12.602 568 2HA GLY 79 2HA GLY 79 2.875 -12.712 -14.314 569 H THR 80 H THR 80 -0.121 -13.279 -13.269 570 HA THR 80 HA THR 80 -1.357 -11.132 -14.637 571 HB THR 80 HB THR 80 -2.572 -13.015 -12.610 572 HG1 THR 80 HG1 THR 80 -2.726 -12.872 -15.464 573 1HG2 THR 80 1HG2 THR 80 -3.948 -11.035 -14.436 574 2HG2 THR 80 2HG2 THR 80 -3.877 -10.944 -12.676 575 3HG2 THR 80 3HG2 THR 80 -4.757 -12.259 -13.456 576 H LYS 81 H LYS 81 -1.056 -9.176 -14.070 577 HA LYS 81 HA LYS 81 -0.753 -8.487 -11.247 578 1HB LYS 81 1HB LYS 81 0.859 -7.558 -12.892 579 2HB LYS 81 2HB LYS 81 -0.450 -6.624 -13.607 580 1HG LYS 81 1HG LYS 81 -0.005 -6.338 -10.690 581 2HG LYS 81 2HG LYS 81 1.179 -5.611 -11.764 582 1HD LYS 81 1HD LYS 81 -1.789 -5.120 -11.948 583 2HD LYS 81 2HD LYS 81 -0.673 -4.083 -11.059 584 1HE LYS 81 1HE LYS 81 -0.544 -4.692 -14.011 585 2HE LYS 81 2HE LYS 81 -1.160 -3.203 -13.295 586 1HZ LYS 81 1HZ LYS 81 1.040 -2.754 -13.931 587 2HZ LYS 81 2HZ LYS 81 1.622 -4.214 -13.303 588 3HZ LYS 81 3HZ LYS 81 1.117 -2.981 -12.249 589 H VAL 82 H VAL 82 -2.331 -7.817 -10.022 590 HA VAL 82 HA VAL 82 -4.498 -6.246 -11.226 591 HB VAL 82 HB VAL 82 -4.950 -8.336 -9.092 592 1HG1 VAL 82 1HG1 VAL 82 -7.339 -7.947 -9.778 593 2HG1 VAL 82 2HG1 VAL 82 -6.764 -6.542 -10.677 594 3HG1 VAL 82 3HG1 VAL 82 -6.554 -6.617 -8.926 595 1HG2 VAL 82 1HG2 VAL 82 -6.075 -9.668 -10.811 596 2HG2 VAL 82 2HG2 VAL 82 -4.363 -9.453 -11.175 597 3HG2 VAL 82 3HG2 VAL 82 -5.574 -8.505 -12.039 598 H LYS 83 H LYS 83 -4.412 -4.334 -10.311 599 HA LYS 83 HA LYS 83 -3.220 -4.074 -7.669 600 1HB LYS 83 1HB LYS 83 -2.762 -1.779 -8.198 601 2HB LYS 83 2HB LYS 83 -2.198 -2.798 -9.511 602 1HG LYS 83 1HG LYS 83 -4.172 -2.203 -10.820 603 2HG LYS 83 2HG LYS 83 -4.736 -1.180 -9.494 604 1HD LYS 83 1HD LYS 83 -2.174 -0.837 -11.054 605 2HD LYS 83 2HD LYS 83 -3.622 0.162 -11.191 606 1HE LYS 83 1HE LYS 83 -3.356 0.957 -8.938 607 2HE LYS 83 2HE LYS 83 -2.024 -0.163 -8.655 608 1HZ LYS 83 1HZ LYS 83 -1.973 2.030 -10.659 609 2HZ LYS 83 2HZ LYS 83 -0.680 1.021 -10.218 610 3HZ LYS 83 3HZ LYS 83 -1.302 2.133 -9.103 611 H ASN 84 H ASN 84 -4.047 -2.697 -6.112 612 HA ASN 84 HA ASN 84 -5.622 -1.837 -4.755 613 1HB ASN 84 1HB ASN 84 -6.901 -1.171 -7.398 614 2HB ASN 84 2HB ASN 84 -7.667 -0.765 -5.866 615 1HD2 ASN 84 1HD2 ASN 84 -5.173 -0.011 -8.094 616 2HD2 ASN 84 2HD2 ASN 84 -4.574 1.402 -7.289 617 H ILE 85 H ILE 85 -5.661 -4.601 -4.815 618 HA ILE 85 HA ILE 85 -8.144 -5.711 -5.285 619 HB ILE 85 HB ILE 85 -7.399 -7.460 -3.726 620 1HG1 ILE 85 1HG1 ILE 85 -4.956 -5.764 -3.170 621 2HG1 ILE 85 2HG1 ILE 85 -6.362 -5.729 -2.115 622 1HG2 ILE 85 1HG2 ILE 85 -5.293 -8.033 -4.869 623 2HG2 ILE 85 2HG2 ILE 85 -5.213 -6.394 -5.518 624 3HG2 ILE 85 3HG2 ILE 85 -6.531 -7.468 -5.992 625 1HD1 ILE 85 1HD1 ILE 85 -6.083 -8.149 -1.721 626 2HD1 ILE 85 2HD1 ILE 85 -4.680 -7.210 -1.205 627 3HD1 ILE 85 3HD1 ILE 85 -4.624 -8.125 -2.712 628 H ARG 86 H ARG 86 -9.353 -6.724 -3.425 629 HA ARG 86 HA ARG 86 -9.956 -4.769 -1.305 630 1HB ARG 86 1HB ARG 86 -11.693 -4.568 -2.986 631 2HB ARG 86 2HB ARG 86 -11.874 -6.313 -3.070 632 1HG ARG 86 1HG ARG 86 -13.704 -5.608 -1.825 633 2HG ARG 86 2HG ARG 86 -12.558 -6.176 -0.610 634 1HD ARG 86 1HD ARG 86 -13.502 -4.106 0.132 635 2HD ARG 86 2HD ARG 86 -11.813 -3.830 -0.300 636 HE ARG 86 HE ARG 86 -13.675 -3.298 -2.437 637 1HH1 ARG 86 1HH1 ARG 86 -11.945 -1.956 0.292 638 2HH1 ARG 86 2HH1 ARG 86 -12.173 -0.309 -0.210 639 1HH2 ARG 86 1HH2 ARG 86 -13.964 -1.152 -3.110 640 2HH2 ARG 86 2HH2 ARG 86 -13.338 0.155 -2.146 641 H LEU 87 H LEU 87 -9.726 -5.729 0.684 642 HA LEU 87 HA LEU 87 -9.434 -8.579 0.857 643 1HB LEU 87 1HB LEU 87 -9.672 -6.538 3.072 644 2HB LEU 87 2HB LEU 87 -9.045 -8.168 3.215 645 HG LEU 87 HG LEU 87 -7.748 -6.009 1.560 646 1HD1 LEU 87 1HD1 LEU 87 -7.645 -5.289 3.819 647 2HD1 LEU 87 2HD1 LEU 87 -6.071 -5.976 3.417 648 3HD1 LEU 87 3HD1 LEU 87 -7.221 -6.904 4.379 649 1HD2 LEU 87 1HD2 LEU 87 -6.764 -8.707 2.473 650 2HD2 LEU 87 2HD2 LEU 87 -5.811 -7.507 1.601 651 3HD2 LEU 87 3HD2 LEU 87 -7.205 -8.258 0.825 652 H VAL 88 H VAL 88 -11.161 -9.887 0.870 653 HA VAL 88 HA VAL 88 -13.736 -8.791 1.699 654 HB VAL 88 HB VAL 88 -13.894 -11.566 0.932 655 1HG1 VAL 88 1HG1 VAL 88 -14.931 -9.008 -0.289 656 2HG1 VAL 88 2HG1 VAL 88 -15.763 -10.034 0.882 657 3HG1 VAL 88 3HG1 VAL 88 -15.451 -10.632 -0.748 658 1HG2 VAL 88 1HG2 VAL 88 -13.246 -11.295 -1.439 659 2HG2 VAL 88 2HG2 VAL 88 -11.870 -11.213 -0.337 660 3HG2 VAL 88 3HG2 VAL 88 -12.530 -9.733 -1.038 661 H ASP 89 H ASP 89 -15.153 -10.683 2.817 662 HA ASP 89 HA ASP 89 -13.838 -10.880 5.391 663 1HB ASP 89 1HB ASP 89 -16.158 -10.075 5.085 664 2HB ASP 89 2HB ASP 89 -16.613 -11.716 4.678 665 H GLY 90 H GLY 90 -12.369 -12.428 4.862 666 1HA GLY 90 1HA GLY 90 -12.947 -14.927 5.942 667 2HA GLY 90 2HA GLY 90 -12.912 -15.089 4.186 668 H ASP 91 H ASP 91 -10.976 -16.524 5.096 669 HA ASP 91 HA ASP 91 -8.570 -14.831 5.096 670 1HB ASP 91 1HB ASP 91 -9.188 -17.115 6.544 671 2HB ASP 91 2HB ASP 91 -8.112 -17.709 5.283 672 H HIS 92 H HIS 92 -10.483 -16.796 3.147 673 HA HIS 92 HA HIS 92 -8.367 -17.252 1.160 674 1HB HIS 92 1HB HIS 92 -9.924 -18.992 0.233 675 2HB HIS 92 2HB HIS 92 -9.352 -19.334 1.859 676 HD1 HIS 92 HD1 HIS 92 -11.087 -19.543 3.701 677 HD2 HIS 92 HD2 HIS 92 -12.692 -18.278 0.074 678 HE1 HIS 92 HE1 HIS 92 -13.587 -19.634 3.988 679 HE2 HIS 92 HE2 HIS 92 -14.512 -18.626 1.874 680 H ASP 93 H ASP 93 -8.966 -14.766 0.755 681 HA ASP 93 HA ASP 93 -11.171 -14.543 -1.039 682 1HB ASP 93 1HB ASP 93 -11.512 -13.576 1.774 683 2HB ASP 93 2HB ASP 93 -12.377 -12.807 0.449 684 H ILE 94 H ILE 94 -9.598 -13.604 -2.400 685 HA ILE 94 HA ILE 94 -9.095 -10.783 -1.699 686 HB ILE 94 HB ILE 94 -7.764 -12.370 -3.898 687 1HG1 ILE 94 1HG1 ILE 94 -5.843 -11.552 -2.040 688 2HG1 ILE 94 2HG1 ILE 94 -7.174 -12.183 -1.072 689 1HG2 ILE 94 1HG2 ILE 94 -7.226 -9.604 -2.832 690 2HG2 ILE 94 2HG2 ILE 94 -7.906 -10.011 -4.408 691 3HG2 ILE 94 3HG2 ILE 94 -6.239 -10.446 -4.027 692 1HD1 ILE 94 1HD1 ILE 94 -5.772 -13.619 -3.301 693 2HD1 ILE 94 2HD1 ILE 94 -7.108 -14.258 -2.343 694 3HD1 ILE 94 3HD1 ILE 94 -5.558 -13.911 -1.575 695 H ASP 95 H ASP 95 -10.608 -9.501 -2.493 696 HA ASP 95 HA ASP 95 -11.922 -10.299 -4.973 697 1HB ASP 95 1HB ASP 95 -13.238 -9.538 -2.950 698 2HB ASP 95 2HB ASP 95 -12.566 -7.932 -3.205 699 H CYS 96 H CYS 96 -11.798 -9.054 -6.821 700 HA CYS 96 HA CYS 96 -10.020 -6.761 -6.784 701 1HB CYS 96 1HB CYS 96 -8.519 -7.742 -8.487 702 2HB CYS 96 2HB CYS 96 -8.433 -8.568 -6.938 703 HG CYS 96 HG CYS 96 -10.529 -10.421 -8.158 704 H LYS 97 H LYS 97 -9.948 -5.613 -8.780 705 HA LYS 97 HA LYS 97 -12.250 -6.200 -10.512 706 1HB LYS 97 1HB LYS 97 -11.812 -3.925 -8.970 707 2HB LYS 97 2HB LYS 97 -11.309 -3.439 -10.582 708 1HG LYS 97 1HG LYS 97 -13.968 -4.707 -9.982 709 2HG LYS 97 2HG LYS 97 -13.696 -2.966 -10.005 710 1HD LYS 97 1HD LYS 97 -13.169 -4.811 -12.334 711 2HD LYS 97 2HD LYS 97 -14.647 -3.872 -12.119 712 1HE LYS 97 1HE LYS 97 -13.112 -1.828 -11.983 713 2HE LYS 97 2HE LYS 97 -11.853 -2.883 -12.623 714 1HZ LYS 97 1HZ LYS 97 -14.435 -2.214 -13.928 715 2HZ LYS 97 2HZ LYS 97 -13.327 -3.337 -14.536 716 3HZ LYS 97 3HZ LYS 97 -12.894 -1.700 -14.418 717 H ILE 98 H ILE 98 -11.855 -6.428 -12.614 718 HA ILE 98 HA ILE 98 -9.168 -5.707 -13.583 719 HB ILE 98 HB ILE 98 -10.804 -8.097 -14.456 720 1HG1 ILE 98 1HG1 ILE 98 -8.521 -9.189 -13.611 721 2HG1 ILE 98 2HG1 ILE 98 -8.537 -7.781 -12.556 722 1HG2 ILE 98 1HG2 ILE 98 -9.534 -7.087 -16.278 723 2HG2 ILE 98 2HG2 ILE 98 -8.906 -8.679 -15.841 724 3HG2 ILE 98 3HG2 ILE 98 -8.059 -7.222 -15.319 725 1HD1 ILE 98 1HD1 ILE 98 -10.740 -8.431 -11.738 726 2HD1 ILE 98 2HD1 ILE 98 -9.540 -9.697 -11.473 727 3HD1 ILE 98 3HD1 ILE 98 -10.705 -9.846 -12.789 728 H ASP 99 H ASP 99 -9.411 -4.014 -14.908 729 HA ASP 99 HA ASP 99 -11.957 -3.408 -16.064 730 1HB ASP 99 1HB ASP 99 -9.691 -1.936 -15.483 731 2HB ASP 99 2HB ASP 99 -9.707 -1.988 -17.246 732 H GLY 100 H GLY 100 -12.631 -4.858 -17.485 733 1HA GLY 100 1HA GLY 100 -11.988 -4.901 -20.112 734 2HA GLY 100 2HA GLY 100 -10.861 -6.062 -19.418 735 H ILE 101 H ILE 101 -12.448 -7.123 -17.411 736 HA ILE 101 HA ILE 101 -14.736 -8.266 -18.872 737 HB ILE 101 HB ILE 101 -14.444 -10.364 -17.620 738 1HG1 ILE 101 1HG1 ILE 101 -11.774 -9.272 -16.720 739 2HG1 ILE 101 2HG1 ILE 101 -13.203 -9.291 -15.693 740 1HG2 ILE 101 1HG2 ILE 101 -12.470 -11.187 -18.820 741 2HG2 ILE 101 2HG2 ILE 101 -12.003 -9.524 -19.174 742 3HG2 ILE 101 3HG2 ILE 101 -13.496 -10.182 -19.843 743 1HD1 ILE 101 1HD1 ILE 101 -13.285 -11.722 -15.851 744 2HD1 ILE 101 2HD1 ILE 101 -11.738 -11.164 -15.212 745 3HD1 ILE 101 3HD1 ILE 101 -11.859 -11.702 -16.888 746 H GLY 102 H GLY 102 -13.401 -7.266 -15.775 747 1HA GLY 102 1HA GLY 102 -15.217 -5.884 -14.569 748 2HA GLY 102 2HA GLY 102 -16.064 -7.427 -14.558 749 H ALA 103 H ALA 103 -16.054 -7.541 -12.302 750 HA ALA 103 HA ALA 103 -13.482 -7.545 -10.934 751 1HB ALA 103 1HB ALA 103 -15.358 -6.347 -9.915 752 2HB ALA 103 2HB ALA 103 -14.800 -7.664 -8.884 753 3HB ALA 103 3HB ALA 103 -16.277 -7.849 -9.831 754 H MET 104 H MET 104 -12.706 -9.318 -9.745 755 HA MET 104 HA MET 104 -14.030 -11.901 -10.154 756 1HB MET 104 1HB MET 104 -12.395 -11.630 -11.987 757 2HB MET 104 2HB MET 104 -11.125 -11.343 -10.810 758 1HG MET 104 1HG MET 104 -11.332 -13.595 -9.974 759 2HG MET 104 2HG MET 104 -12.701 -13.894 -11.042 760 1HE MET 104 1HE MET 104 -9.814 -16.124 -12.522 761 2HE MET 104 2HE MET 104 -11.452 -16.117 -11.869 762 3HE MET 104 3HE MET 104 -10.083 -15.748 -10.820 763 H LYS 105 H LYS 105 -13.184 -13.579 -8.716 764 HA LYS 105 HA LYS 105 -11.888 -12.449 -6.325 765 1HB LYS 105 1HB LYS 105 -13.120 -14.030 -4.957 766 2HB LYS 105 2HB LYS 105 -14.238 -13.070 -5.912 767 1HG LYS 105 1HG LYS 105 -13.927 -15.195 -7.538 768 2HG LYS 105 2HG LYS 105 -13.695 -15.956 -5.963 769 1HD LYS 105 1HD LYS 105 -15.829 -14.689 -5.276 770 2HD LYS 105 2HD LYS 105 -16.085 -14.480 -7.009 771 1HE LYS 105 1HE LYS 105 -17.283 -16.415 -6.464 772 2HE LYS 105 2HE LYS 105 -15.785 -17.005 -7.184 773 1HZ LYS 105 1HZ LYS 105 -16.391 -16.835 -4.279 774 2HZ LYS 105 2HZ LYS 105 -14.907 -17.334 -4.930 775 3HZ LYS 105 3HZ LYS 105 -16.304 -18.254 -5.205 776 H LEU 106 H LEU 106 -10.302 -13.716 -5.312 777 HA LEU 106 HA LEU 106 -9.140 -15.756 -7.085 778 1HB LEU 106 1HB LEU 106 -7.632 -13.600 -5.614 779 2HB LEU 106 2HB LEU 106 -6.951 -14.793 -6.701 780 HG LEU 106 HG LEU 106 -8.884 -12.628 -7.536 781 1HD1 LEU 106 1HD1 LEU 106 -6.778 -11.677 -6.797 782 2HD1 LEU 106 2HD1 LEU 106 -6.919 -11.573 -8.554 783 3HD1 LEU 106 3HD1 LEU 106 -5.889 -12.805 -7.822 784 1HD2 LEU 106 1HD2 LEU 106 -8.955 -14.618 -8.958 785 2HD2 LEU 106 2HD2 LEU 106 -7.204 -14.544 -9.161 786 3HD2 LEU 106 3HD2 LEU 106 -8.223 -13.254 -9.802 787 H LYS 107 H LYS 107 -8.055 -17.381 -6.173 788 HA LYS 107 HA LYS 107 -8.433 -17.984 -3.411 789 1HB LYS 107 1HB LYS 107 -7.079 -19.358 -5.682 790 2HB LYS 107 2HB LYS 107 -6.686 -19.863 -4.045 791 1HG LYS 107 1HG LYS 107 -8.373 -21.311 -4.675 792 2HG LYS 107 2HG LYS 107 -9.218 -20.092 -3.723 793 1HD LYS 107 1HD LYS 107 -9.860 -18.955 -5.825 794 2HD LYS 107 2HD LYS 107 -9.089 -20.259 -6.731 795 1HE LYS 107 1HE LYS 107 -11.440 -20.493 -4.859 796 2HE LYS 107 2HE LYS 107 -11.462 -20.665 -6.612 797 1HZ LYS 107 1HZ LYS 107 -11.496 -22.815 -5.534 798 2HZ LYS 107 2HZ LYS 107 -10.061 -22.466 -4.704 799 3HZ LYS 107 3HZ LYS 107 -10.044 -22.626 -6.393 800 H SER 108 H SER 108 -7.224 -17.532 -1.756 801 HA SER 108 HA SER 108 -5.023 -15.862 -1.729 802 1HB SER 108 1HB SER 108 -6.320 -16.265 0.260 803 2HB SER 108 2HB SER 108 -5.941 -17.982 0.230 804 HG SER 108 HG SER 108 -4.008 -15.925 0.555 805 H GLU 109 H GLU 109 -5.204 -19.374 -1.818 806 HA GLU 109 HA GLU 109 -2.478 -19.897 -1.493 807 1HB GLU 109 1HB GLU 109 -3.063 -22.153 -2.281 808 2HB GLU 109 2HB GLU 109 -4.211 -21.552 -1.089 809 1HG GLU 109 1HG GLU 109 -5.589 -20.787 -3.115 810 2HG GLU 109 2HG GLU 109 -4.565 -21.883 -4.038 811 H PHE 110 H PHE 110 -4.074 -18.605 -4.279 812 HA PHE 110 HA PHE 110 -1.854 -19.602 -5.923 813 1HB PHE 110 1HB PHE 110 -4.641 -18.713 -6.597 814 2HB PHE 110 2HB PHE 110 -3.391 -18.822 -7.829 815 HD1 PHE 110 HD1 PHE 110 -5.742 -20.633 -5.791 816 HD2 PHE 110 HD2 PHE 110 -2.334 -21.032 -8.292 817 HE1 PHE 110 HE1 PHE 110 -6.216 -23.031 -6.040 818 HE2 PHE 110 HE2 PHE 110 -2.796 -23.433 -8.546 819 HZ PHE 110 HZ PHE 110 -4.741 -24.436 -7.420 820 H VAL 111 H VAL 111 -2.324 -16.951 -4.139 821 HA VAL 111 HA VAL 111 -1.510 -15.144 -6.324 822 HB VAL 111 HB VAL 111 -2.448 -13.264 -5.108 823 1HG1 VAL 111 1HG1 VAL 111 -4.403 -15.540 -5.391 824 2HG1 VAL 111 2HG1 VAL 111 -3.883 -14.446 -6.673 825 3HG1 VAL 111 3HG1 VAL 111 -4.824 -13.829 -5.314 826 1HG2 VAL 111 1HG2 VAL 111 -3.818 -13.623 -3.092 827 2HG2 VAL 111 2HG2 VAL 111 -2.120 -14.020 -2.832 828 3HG2 VAL 111 3HG2 VAL 111 -3.301 -15.310 -3.062 829 H ARG 112 H ARG 112 -0.315 -13.201 -5.568 830 HA ARG 112 HA ARG 112 1.384 -13.579 -3.252 831 1HB ARG 112 1HB ARG 112 2.923 -14.568 -4.646 832 2HB ARG 112 2HB ARG 112 2.342 -13.715 -6.070 833 1HG ARG 112 1HG ARG 112 3.544 -11.792 -5.568 834 2HG ARG 112 2HG ARG 112 3.750 -12.244 -3.879 835 1HD ARG 112 1HD ARG 112 5.409 -13.807 -4.389 836 2HD ARG 112 2HD ARG 112 4.984 -13.838 -6.092 837 HE ARG 112 HE ARG 112 5.714 -11.249 -5.607 838 1HH1 ARG 112 1HH1 ARG 112 7.305 -14.334 -5.133 839 2HH1 ARG 112 2HH1 ARG 112 8.889 -13.706 -5.473 840 1HH2 ARG 112 1HH2 ARG 112 7.798 -10.425 -6.039 841 2HH2 ARG 112 2HH2 ARG 112 9.174 -11.484 -5.981 842 H LYS 113 H LYS 113 2.045 -11.699 -2.372 843 HA LYS 113 HA LYS 113 0.926 -9.252 -3.149 844 1HB LYS 113 1HB LYS 113 1.454 -9.127 -0.950 845 2HB LYS 113 2HB LYS 113 2.849 -10.187 -1.118 846 1HG LYS 113 1HG LYS 113 4.239 -8.434 -1.808 847 2HG LYS 113 2HG LYS 113 2.869 -7.374 -2.144 848 1HD LYS 113 1HD LYS 113 3.349 -8.370 0.636 849 2HD LYS 113 2HD LYS 113 4.291 -7.015 0.006 850 1HE LYS 113 1HE LYS 113 2.404 -6.113 1.128 851 2HE LYS 113 2HE LYS 113 2.144 -5.904 -0.593 852 1HZ LYS 113 1HZ LYS 113 0.874 -8.120 -0.365 853 2HZ LYS 113 2HZ LYS 113 0.134 -6.680 0.099 854 3HZ LYS 113 3HZ LYS 113 0.778 -7.719 1.281 855 H VAL 114 H VAL 114 1.627 -7.601 -4.316 856 HA VAL 114 HA VAL 114 4.318 -7.726 -5.514 857 HB VAL 114 HB VAL 114 1.937 -6.068 -6.377 858 1HG1 VAL 114 1HG1 VAL 114 3.301 -5.463 -8.318 859 2HG1 VAL 114 2HG1 VAL 114 4.668 -6.341 -7.633 860 3HG1 VAL 114 3HG1 VAL 114 4.040 -4.910 -6.816 861 1HG2 VAL 114 1HG2 VAL 114 1.938 -7.497 -8.358 862 2HG2 VAL 114 2HG2 VAL 114 1.657 -8.422 -6.883 863 3HG2 VAL 114 3HG2 VAL 114 3.241 -8.458 -7.660 864 H GLY 115 H GLY 115 1.996 -5.308 -4.278 865 1HA GLY 115 1HA GLY 115 2.451 -3.749 -2.571 866 2HA GLY 115 2HA GLY 115 4.167 -4.072 -2.760 867 H SER 116 H SER 116 3.100 -3.723 -5.816 868 HA SER 116 HA SER 116 3.285 -0.802 -5.828 869 1HB SER 116 1HB SER 116 4.949 -2.613 -7.601 870 2HB SER 116 2HB SER 116 4.934 -0.849 -7.640 871 HG SER 116 HG SER 116 6.002 -2.587 -5.705 Start of MODEL 13 1 H MET 1 H MET 1 17.627 13.340 24.950 2 HA MET 1 HA MET 1 15.348 14.028 24.584 3 1HB MET 1 1HB MET 1 17.066 14.962 23.150 4 2HB MET 1 2HB MET 1 16.995 13.559 22.093 5 1HG MET 1 1HG MET 1 15.723 14.967 20.872 6 2HG MET 1 2HG MET 1 14.461 14.293 21.902 7 1HE MET 1 1HE MET 1 14.920 15.735 24.691 8 2HE MET 1 2HE MET 1 13.334 15.605 23.929 9 3HE MET 1 3HE MET 1 13.904 17.167 24.515 10 H VAL 2 H VAL 2 13.343 13.297 24.327 11 HA VAL 2 HA VAL 2 12.910 10.897 22.728 12 HB VAL 2 HB VAL 2 12.008 11.035 25.055 13 1HG1 VAL 2 1HG1 VAL 2 11.372 13.371 25.092 14 2HG1 VAL 2 2HG1 VAL 2 9.975 12.354 25.444 15 3HG1 VAL 2 3HG1 VAL 2 10.157 13.081 23.848 16 1HG2 VAL 2 1HG2 VAL 2 11.081 9.457 23.466 17 2HG2 VAL 2 2HG2 VAL 2 9.976 10.690 22.860 18 3HG2 VAL 2 3HG2 VAL 2 9.811 10.094 24.511 19 H SER 3 H SER 3 12.679 14.199 22.540 20 HA SER 3 HA SER 3 10.437 14.310 20.726 21 1HB SER 3 1HB SER 3 12.367 16.509 21.492 22 2HB SER 3 2HB SER 3 10.791 16.698 20.726 23 HG SER 3 HG SER 3 10.452 17.056 22.872 24 H THR 4 H THR 4 11.292 12.922 19.088 25 HA THR 4 HA THR 4 13.397 14.155 17.449 26 HB THR 4 HB THR 4 13.603 11.954 16.357 27 HG1 THR 4 HG1 THR 4 11.993 10.605 16.586 28 1HG2 THR 4 1HG2 THR 4 14.539 10.734 18.301 29 2HG2 THR 4 2HG2 THR 4 13.764 11.903 19.372 30 3HG2 THR 4 3HG2 THR 4 15.028 12.429 18.261 31 H LEU 5 H LEU 5 10.083 13.674 17.677 32 HA LEU 5 HA LEU 5 9.696 14.142 14.798 33 1HB LEU 5 1HB LEU 5 7.700 13.169 16.852 34 2HB LEU 5 2HB LEU 5 7.395 13.377 15.141 35 HG LEU 5 HG LEU 5 9.383 11.413 16.275 36 1HD1 LEU 5 1HD1 LEU 5 7.718 9.708 15.681 37 2HD1 LEU 5 2HD1 LEU 5 6.571 10.985 15.280 38 3HD1 LEU 5 3HD1 LEU 5 7.135 10.796 16.939 39 1HD2 LEU 5 1HD2 LEU 5 8.255 11.770 13.501 40 2HD2 LEU 5 2HD2 LEU 5 9.339 10.477 14.013 41 3HD2 LEU 5 3HD2 LEU 5 9.901 12.148 14.011 42 HA PRO 6 HA PRO 6 8.163 18.197 15.758 43 1HB PRO 6 1HB PRO 6 6.244 18.540 13.884 44 2HB PRO 6 2HB PRO 6 7.965 18.538 13.479 45 1HG PRO 6 1HG PRO 6 5.966 16.324 13.249 46 2HG PRO 6 2HG PRO 6 7.181 16.849 12.070 47 1HD PRO 6 1HD PRO 6 7.569 14.714 13.681 48 2HD PRO 6 2HD PRO 6 8.905 15.769 13.184 49 HA PRO 7 HA PRO 7 4.605 17.697 18.326 50 1HB PRO 7 1HB PRO 7 3.856 20.485 17.860 51 2HB PRO 7 2HB PRO 7 4.425 19.714 19.343 52 1HG PRO 7 1HG PRO 7 5.936 21.470 17.950 53 2HG PRO 7 2HG PRO 7 6.637 20.115 18.853 54 1HD PRO 7 1HD PRO 7 6.126 20.367 15.907 55 2HD PRO 7 2HD PRO 7 7.526 19.670 16.752 56 H CYS 8 H CYS 8 2.247 18.743 18.379 57 HA CYS 8 HA CYS 8 0.979 17.894 15.886 58 1HB CYS 8 1HB CYS 8 0.276 16.713 17.871 59 2HB CYS 8 2HB CYS 8 -0.012 18.220 18.724 60 HA PRO 9 HA PRO 9 0.344 22.249 15.111 61 1HB PRO 9 1HB PRO 9 -1.224 21.967 12.904 62 2HB PRO 9 2HB PRO 9 0.532 21.767 12.875 63 1HG PRO 9 1HG PRO 9 -1.609 19.678 13.019 64 2HG PRO 9 2HG PRO 9 -0.134 19.701 12.035 65 1HD PRO 9 1HD PRO 9 -0.305 18.280 14.316 66 2HD PRO 9 2HD PRO 9 1.207 19.054 13.799 67 H GLN 10 H GLN 10 -1.739 20.177 16.476 68 HA GLN 10 HA GLN 10 -3.987 22.020 16.354 69 1HB GLN 10 1HB GLN 10 -4.272 19.682 15.481 70 2HB GLN 10 2HB GLN 10 -4.026 19.118 17.128 71 1HG GLN 10 1HG GLN 10 -5.995 20.111 17.876 72 2HG GLN 10 2HG GLN 10 -6.151 21.088 16.414 73 1HE2 GLN 10 1HE2 GLN 10 -5.119 17.818 16.285 74 2HE2 GLN 10 2HE2 GLN 10 -6.540 17.166 15.570 75 H CYS 11 H CYS 11 -1.944 20.024 18.606 76 HA CYS 11 HA CYS 11 -2.982 21.741 20.735 77 1HB CYS 11 1HB CYS 11 -2.836 19.871 22.285 78 2HB CYS 11 2HB CYS 11 -3.891 19.464 20.941 79 H ASN 12 H ASN 12 -0.233 19.923 19.448 80 HA ASN 12 HA ASN 12 2.002 20.359 19.498 81 1HB ASN 12 1HB ASN 12 1.333 22.745 19.338 82 2HB ASN 12 2HB ASN 12 1.266 22.831 21.092 83 1HD2 ASN 12 1HD2 ASN 12 3.158 22.984 22.258 84 2HD2 ASN 12 2HD2 ASN 12 4.700 23.256 21.522 85 H SER 13 H SER 13 0.203 19.465 22.000 86 HA SER 13 HA SER 13 1.594 19.859 24.335 87 1HB SER 13 1HB SER 13 0.168 17.284 23.697 88 2HB SER 13 2HB SER 13 0.341 18.067 25.268 89 HG SER 13 HG SER 13 -1.711 18.296 23.830 90 H GLU 14 H GLU 14 1.652 16.619 22.901 91 HA GLU 14 HA GLU 14 4.357 16.212 22.518 92 1HB GLU 14 1HB GLU 14 5.019 15.024 24.596 93 2HB GLU 14 2HB GLU 14 4.745 16.737 24.844 94 1HG GLU 14 1HG GLU 14 2.624 16.318 25.879 95 2HG GLU 14 2HG GLU 14 2.717 14.606 25.468 96 H TYR 15 H TYR 15 1.973 15.419 21.467 97 HA TYR 15 HA TYR 15 1.732 12.596 22.239 98 1HB TYR 15 1HB TYR 15 -0.434 14.564 21.545 99 2HB TYR 15 2HB TYR 15 -0.693 12.825 21.497 100 HD1 TYR 15 HD1 TYR 15 -0.647 11.501 23.563 101 HD2 TYR 15 HD2 TYR 15 -0.203 15.728 23.635 102 HE1 TYR 15 HE1 TYR 15 -1.079 11.500 25.985 103 HE2 TYR 15 HE2 TYR 15 -0.634 15.741 26.052 104 HH TYR 15 HH TYR 15 -1.921 14.157 27.702 105 H THR 16 H THR 16 3.246 14.071 20.041 106 HA THR 16 HA THR 16 2.057 12.704 17.764 107 HB THR 16 HB THR 16 4.637 13.712 17.116 108 HG1 THR 16 HG1 THR 16 4.597 15.735 17.913 109 1HG2 THR 16 1HG2 THR 16 2.716 13.500 15.599 110 2HG2 THR 16 2HG2 THR 16 3.342 15.150 15.619 111 3HG2 THR 16 3HG2 THR 16 1.869 14.755 16.504 112 H TYR 17 H TYR 17 2.683 10.825 16.966 113 HA TYR 17 HA TYR 17 5.311 9.748 17.553 114 1HB TYR 17 1HB TYR 17 4.554 7.602 18.306 115 2HB TYR 17 2HB TYR 17 3.773 8.807 19.326 116 HD1 TYR 17 HD1 TYR 17 1.314 9.269 19.015 117 HD2 TYR 17 HD2 TYR 17 3.306 6.126 16.943 118 HE1 TYR 17 HE1 TYR 17 -0.850 8.227 18.514 119 HE2 TYR 17 HE2 TYR 17 1.144 5.082 16.434 120 HH TYR 17 HH TYR 17 -1.182 5.075 17.424 121 H GLU 18 H GLU 18 5.588 7.642 16.170 122 HA GLU 18 HA GLU 18 4.357 8.221 13.580 123 1HB GLU 18 1HB GLU 18 6.170 6.756 12.685 124 2HB GLU 18 2HB GLU 18 6.755 8.190 13.513 125 1HG GLU 18 1HG GLU 18 6.503 5.631 15.020 126 2HG GLU 18 2HG GLU 18 7.867 5.863 13.925 127 H ASP 19 H ASP 19 2.585 7.026 13.103 128 HA ASP 19 HA ASP 19 2.701 4.177 13.772 129 1HB ASP 19 1HB ASP 19 0.767 5.478 14.745 130 2HB ASP 19 2HB ASP 19 0.224 5.772 13.095 131 H GLY 20 H GLY 20 4.174 4.237 11.839 132 1HA GLY 20 1HA GLY 20 4.108 3.057 9.756 133 2HA GLY 20 2HA GLY 20 2.530 3.764 9.444 134 H ALA 21 H ALA 21 2.445 5.456 8.117 135 HA ALA 21 HA ALA 21 5.022 6.558 7.219 136 1HB ALA 21 1HB ALA 21 3.795 5.260 5.552 137 2HB ALA 21 2HB ALA 21 3.936 6.952 5.074 138 3HB ALA 21 3HB ALA 21 2.414 6.342 5.725 139 H LEU 22 H LEU 22 3.111 7.522 9.404 140 HA LEU 22 HA LEU 22 3.325 10.303 8.724 141 1HB LEU 22 1HB LEU 22 1.086 10.931 8.834 142 2HB LEU 22 2HB LEU 22 1.087 9.516 7.800 143 HG LEU 22 HG LEU 22 0.364 9.459 10.730 144 1HD1 LEU 22 1HD1 LEU 22 -1.403 9.584 8.300 145 2HD1 LEU 22 2HD1 LEU 22 -1.213 10.838 9.530 146 3HD1 LEU 22 3HD1 LEU 22 -1.952 9.290 9.950 147 1HD2 LEU 22 1HD2 LEU 22 -0.014 7.428 8.531 148 2HD2 LEU 22 2HD2 LEU 22 -0.608 7.278 10.185 149 3HD2 LEU 22 3HD2 LEU 22 1.127 7.311 9.871 150 H LEU 23 H LEU 23 2.045 11.524 10.660 151 HA LEU 23 HA LEU 23 2.902 10.242 13.164 152 1HB LEU 23 1HB LEU 23 2.469 13.193 12.740 153 2HB LEU 23 2HB LEU 23 3.297 12.403 14.068 154 HG LEU 23 HG LEU 23 4.291 12.546 11.226 155 1HD1 LEU 23 1HD1 LEU 23 5.985 14.048 12.133 156 2HD1 LEU 23 2HD1 LEU 23 5.199 13.978 13.711 157 3HD1 LEU 23 3HD1 LEU 23 4.359 14.699 12.338 158 1HD2 LEU 23 1HD2 LEU 23 5.009 10.506 12.336 159 2HD2 LEU 23 2HD2 LEU 23 5.592 11.445 13.709 160 3HD2 LEU 23 3HD2 LEU 23 6.362 11.619 12.132 161 H VAL 24 H VAL 24 1.368 10.054 14.807 162 HA VAL 24 HA VAL 24 -1.324 11.031 14.174 163 HB VAL 24 HB VAL 24 -0.577 8.507 15.660 164 1HG1 VAL 24 1HG1 VAL 24 -2.683 9.432 16.375 165 2HG1 VAL 24 2HG1 VAL 24 -2.949 7.951 15.453 166 3HG1 VAL 24 3HG1 VAL 24 -3.244 9.521 14.705 167 1HG2 VAL 24 1HG2 VAL 24 -1.558 8.817 12.827 168 2HG2 VAL 24 2HG2 VAL 24 -1.383 7.288 13.686 169 3HG2 VAL 24 3HG2 VAL 24 0.039 8.270 13.337 170 H CYS 25 H CYS 25 -2.339 12.180 15.805 171 HA CYS 25 HA CYS 25 -0.984 12.277 18.402 172 1HB CYS 25 1HB CYS 25 -1.408 14.450 17.346 173 2HB CYS 25 2HB CYS 25 -3.126 14.071 17.237 174 HA PRO 26 HA PRO 26 -4.312 9.461 19.669 175 1HB PRO 26 1HB PRO 26 -3.271 9.159 22.201 176 2HB PRO 26 2HB PRO 26 -2.820 8.166 20.811 177 1HG PRO 26 1HG PRO 26 -1.423 10.536 21.984 178 2HG PRO 26 2HG PRO 26 -0.736 9.018 21.372 179 1HD PRO 26 1HD PRO 26 -0.671 11.263 19.916 180 2HD PRO 26 2HD PRO 26 -0.929 9.678 19.158 181 H GLU 27 H GLU 27 -3.084 12.399 21.115 182 HA GLU 27 HA GLU 27 -5.097 12.644 23.098 183 1HB GLU 27 1HB GLU 27 -2.999 13.859 23.343 184 2HB GLU 27 2HB GLU 27 -3.339 14.782 21.884 185 1HG GLU 27 1HG GLU 27 -5.171 15.895 22.916 186 2HG GLU 27 2HG GLU 27 -5.110 14.826 24.313 187 H CYS 28 H CYS 28 -4.719 14.523 19.967 188 HA CYS 28 HA CYS 28 -7.330 15.521 20.186 189 1HB CYS 28 1HB CYS 28 -5.399 15.402 17.861 190 2HB CYS 28 2HB CYS 28 -6.888 16.333 17.880 191 H ALA 29 H ALA 29 -6.338 12.374 19.341 192 HA ALA 29 HA ALA 29 -7.132 10.736 18.063 193 1HB ALA 29 1HB ALA 29 -9.547 10.572 17.847 194 2HB ALA 29 2HB ALA 29 -9.712 12.275 18.274 195 3HB ALA 29 3HB ALA 29 -9.098 11.124 19.461 196 H HIS 30 H HIS 30 -5.825 12.723 16.636 197 HA HIS 30 HA HIS 30 -7.022 12.371 14.011 198 1HB HIS 30 1HB HIS 30 -7.783 14.612 15.091 199 2HB HIS 30 2HB HIS 30 -6.130 15.134 14.799 200 HD1 HIS 30 HD1 HIS 30 -5.383 15.072 12.171 201 HD2 HIS 30 HD2 HIS 30 -9.458 14.888 12.983 202 HE1 HIS 30 HE1 HIS 30 -6.529 15.725 10.035 203 HE2 HIS 30 HE2 HIS 30 -8.984 15.785 10.602 204 H GLU 31 H GLU 31 -5.480 12.147 12.452 205 HA GLU 31 HA GLU 31 -2.698 12.338 13.365 206 1HB GLU 31 1HB GLU 31 -2.424 10.883 11.163 207 2HB GLU 31 2HB GLU 31 -2.857 10.169 12.706 208 1HG GLU 31 1HG GLU 31 -4.182 9.297 10.834 209 2HG GLU 31 2HG GLU 31 -5.169 10.061 12.075 210 H TRP 32 H TRP 32 -1.133 12.634 11.406 211 HA TRP 32 HA TRP 32 -1.991 14.310 9.265 212 1HB TRP 32 1HB TRP 32 -1.291 16.417 9.938 213 2HB TRP 32 2HB TRP 32 -1.938 15.781 11.445 214 HD1 TRP 32 HD1 TRP 32 0.311 14.286 12.768 215 HE1 TRP 32 HE1 TRP 32 2.563 15.376 13.401 216 HE3 TRP 32 HE3 TRP 32 0.201 18.269 9.580 217 HZ2 TRP 32 HZ2 TRP 32 4.078 17.626 12.646 218 HZ3 TRP 32 HZ3 TRP 32 2.089 19.845 9.595 219 HH2 TRP 32 HH2 TRP 32 3.987 19.529 11.097 220 H SER 33 H SER 33 -0.134 14.972 7.937 221 HA SER 33 HA SER 33 2.192 13.244 8.415 222 1HB SER 33 1HB SER 33 0.933 12.928 6.271 223 2HB SER 33 2HB SER 33 1.373 14.577 5.823 224 HG SER 33 HG SER 33 2.833 12.310 5.660 225 HA PRO 34 HA PRO 34 4.482 16.727 9.701 226 1HB PRO 34 1HB PRO 34 6.994 15.942 8.843 227 2HB PRO 34 2HB PRO 34 6.228 15.427 10.348 228 1HG PRO 34 1HG PRO 34 6.420 14.004 7.733 229 2HG PRO 34 2HG PRO 34 6.522 13.352 9.377 230 1HD PRO 34 1HD PRO 34 4.303 13.092 7.879 231 2HD PRO 34 2HD PRO 34 4.226 13.316 9.635 232 H ASN 35 H ASN 35 5.574 15.574 6.498 233 HA ASN 35 HA ASN 35 5.669 18.403 5.667 234 1HB ASN 35 1HB ASN 35 7.563 16.166 4.951 235 2HB ASN 35 2HB ASN 35 7.516 17.699 4.091 236 1HD2 ASN 35 1HD2 ASN 35 6.934 19.227 6.532 237 2HD2 ASN 35 2HD2 ASN 35 8.423 19.288 7.411 238 H GLU 36 H GLU 36 4.492 15.261 4.977 239 HA GLU 36 HA GLU 36 4.160 15.697 2.147 240 1HB GLU 36 1HB GLU 36 2.938 13.522 3.848 241 2HB GLU 36 2HB GLU 36 3.141 13.516 2.103 242 1HG GLU 36 1HG GLU 36 5.354 13.457 4.140 243 2HG GLU 36 2HG GLU 36 4.772 12.088 3.195 244 H ALA 37 H ALA 37 2.453 16.567 4.924 245 HA ALA 37 HA ALA 37 -0.217 16.247 4.177 246 1HB ALA 37 1HB ALA 37 0.963 18.424 5.893 247 2HB ALA 37 2HB ALA 37 0.480 16.822 6.448 248 3HB ALA 37 3HB ALA 37 -0.735 17.947 5.838 249 H ALA 38 H ALA 38 1.847 19.129 3.837 250 HA ALA 38 HA ALA 38 -0.128 20.652 2.489 251 1HB ALA 38 1HB ALA 38 1.715 21.675 3.738 252 2HB ALA 38 2HB ALA 38 1.659 22.250 2.071 253 3HB ALA 38 3HB ALA 38 2.861 21.051 2.552 254 H THR 39 H THR 39 2.899 19.189 1.274 255 HA THR 39 HA THR 39 1.521 18.616 -1.235 256 HB THR 39 HB THR 39 3.966 19.347 -2.196 257 HG1 THR 39 HG1 THR 39 4.163 20.343 0.083 258 1HG2 THR 39 1HG2 THR 39 1.518 21.096 -1.939 259 2HG2 THR 39 2HG2 THR 39 1.806 19.891 -3.195 260 3HG2 THR 39 3HG2 THR 39 2.830 21.323 -3.099 261 H ALA 40 H ALA 40 1.772 16.578 -1.684 262 HA ALA 40 HA ALA 40 4.395 15.309 -1.330 263 1HB ALA 40 1HB ALA 40 1.755 14.063 -0.555 264 2HB ALA 40 2HB ALA 40 3.011 14.602 0.559 265 3HB ALA 40 3HB ALA 40 3.321 13.254 -0.536 266 H SER 41 H SER 41 3.173 16.478 -3.615 267 HA SER 41 HA SER 41 1.772 14.546 -5.154 268 1HB SER 41 1HB SER 41 3.158 17.082 -6.043 269 2HB SER 41 2HB SER 41 1.969 16.167 -6.974 270 HG SER 41 HG SER 41 0.480 16.564 -5.228 271 H ASP 42 H ASP 42 2.777 12.716 -5.605 272 HA ASP 42 HA ASP 42 5.321 12.859 -7.086 273 1HB ASP 42 1HB ASP 42 5.494 11.750 -4.844 274 2HB ASP 42 2HB ASP 42 4.313 10.565 -5.384 275 H ASP 43 H ASP 43 2.232 12.678 -7.462 276 HA ASP 43 HA ASP 43 0.716 11.861 -8.931 277 1HB ASP 43 1HB ASP 43 2.513 12.384 -10.621 278 2HB ASP 43 2HB ASP 43 3.043 10.710 -10.487 279 H GLY 44 H GLY 44 -0.245 10.434 -7.553 280 1HA GLY 44 1HA GLY 44 0.877 7.735 -7.357 281 2HA GLY 44 2HA GLY 44 -0.381 8.406 -6.332 282 H LYS 45 H LYS 45 -1.266 9.335 -9.291 283 HA LYS 45 HA LYS 45 -3.395 7.423 -9.357 284 1HB LYS 45 1HB LYS 45 -4.153 8.687 -11.361 285 2HB LYS 45 2HB LYS 45 -3.895 9.700 -9.946 286 1HG LYS 45 1HG LYS 45 -1.833 10.516 -10.818 287 2HG LYS 45 2HG LYS 45 -1.874 9.352 -12.144 288 1HD LYS 45 1HD LYS 45 -3.875 10.435 -13.032 289 2HD LYS 45 2HD LYS 45 -3.843 11.593 -11.700 290 1HE LYS 45 1HE LYS 45 -2.868 12.428 -13.851 291 2HE LYS 45 2HE LYS 45 -1.793 12.528 -12.456 292 1HZ LYS 45 1HZ LYS 45 -0.547 10.713 -13.200 293 2HZ LYS 45 2HZ LYS 45 -0.811 11.646 -14.593 294 3HZ LYS 45 3HZ LYS 45 -1.724 10.238 -14.331 295 H VAL 46 H VAL 46 -0.323 7.700 -10.918 296 HA VAL 46 HA VAL 46 -1.004 5.751 -12.953 297 HB VAL 46 HB VAL 46 1.716 6.850 -12.204 298 1HG1 VAL 46 1HG1 VAL 46 2.421 5.987 -14.381 299 2HG1 VAL 46 2HG1 VAL 46 0.815 5.302 -14.630 300 3HG1 VAL 46 3HG1 VAL 46 1.843 4.689 -13.335 301 1HG2 VAL 46 1HG2 VAL 46 -0.167 7.635 -14.428 302 2HG2 VAL 46 2HG2 VAL 46 1.473 8.245 -14.206 303 3HG2 VAL 46 3HG2 VAL 46 0.227 8.604 -13.009 304 H ILE 47 H ILE 47 -0.909 3.644 -12.696 305 HA ILE 47 HA ILE 47 -0.331 2.583 -10.073 306 HB ILE 47 HB ILE 47 -1.084 0.881 -12.419 307 1HG1 ILE 47 1HG1 ILE 47 -2.548 2.884 -12.511 308 2HG1 ILE 47 2HG1 ILE 47 -3.441 1.434 -12.069 309 1HG2 ILE 47 1HG2 ILE 47 -2.333 -0.308 -10.652 310 2HG2 ILE 47 2HG2 ILE 47 -1.750 0.870 -9.476 311 3HG2 ILE 47 3HG2 ILE 47 -0.608 -0.192 -10.300 312 1HD1 ILE 47 1HD1 ILE 47 -3.528 2.116 -9.774 313 2HD1 ILE 47 2HD1 ILE 47 -4.083 3.452 -10.787 314 3HD1 ILE 47 3HD1 ILE 47 -2.459 3.485 -10.097 315 H LYS 48 H LYS 48 1.331 1.185 -9.559 316 HA LYS 48 HA LYS 48 3.412 0.738 -11.591 317 1HB LYS 48 1HB LYS 48 3.526 2.047 -9.118 318 2HB LYS 48 2HB LYS 48 4.316 0.499 -8.849 319 1HG LYS 48 1HG LYS 48 6.075 1.014 -10.159 320 2HG LYS 48 2HG LYS 48 5.098 1.952 -11.290 321 1HD LYS 48 1HD LYS 48 5.859 2.873 -8.520 322 2HD LYS 48 2HD LYS 48 6.702 3.338 -10.001 323 1HE LYS 48 1HE LYS 48 4.620 4.305 -10.868 324 2HE LYS 48 2HE LYS 48 3.796 3.862 -9.374 325 1HZ LYS 48 1HZ LYS 48 4.467 6.180 -9.370 326 2HZ LYS 48 2HZ LYS 48 6.091 5.741 -9.589 327 3HZ LYS 48 3HZ LYS 48 5.282 5.320 -8.155 328 H ASP 49 H ASP 49 4.921 -1.171 -10.857 329 HA ASP 49 HA ASP 49 3.217 -3.456 -10.064 330 1HB ASP 49 1HB ASP 49 5.813 -3.507 -11.603 331 2HB ASP 49 2HB ASP 49 4.779 -4.883 -11.275 332 H SER 50 H SER 50 4.475 -5.270 -9.081 333 HA SER 50 HA SER 50 5.929 -4.393 -6.750 334 1HB SER 50 1HB SER 50 6.164 -6.794 -6.241 335 2HB SER 50 2HB SER 50 4.507 -6.393 -6.700 336 HG SER 50 HG SER 50 4.962 -7.182 -8.790 337 H VAL 51 H VAL 51 6.794 -4.800 -9.815 338 HA VAL 51 HA VAL 51 9.461 -5.942 -9.427 339 HB VAL 51 HB VAL 51 8.457 -4.861 -12.033 340 1HG1 VAL 51 1HG1 VAL 51 9.826 -6.680 -12.936 341 2HG1 VAL 51 2HG1 VAL 51 10.277 -7.137 -11.292 342 3HG1 VAL 51 3HG1 VAL 51 10.758 -5.565 -11.933 343 1HG2 VAL 51 1HG2 VAL 51 7.435 -7.035 -12.481 344 2HG2 VAL 51 2HG2 VAL 51 6.655 -6.190 -11.143 345 3HG2 VAL 51 3HG2 VAL 51 7.765 -7.522 -10.817 346 H GLY 52 H GLY 52 8.008 -2.986 -9.372 347 1HA GLY 52 1HA GLY 52 9.102 -0.971 -8.773 348 2HA GLY 52 2HA GLY 52 10.585 -1.604 -9.474 349 H ASN 53 H ASN 53 8.303 -2.352 -11.648 350 HA ASN 53 HA ASN 53 8.993 -0.033 -13.261 351 1HB ASN 53 1HB ASN 53 7.457 -1.622 -14.899 352 2HB ASN 53 2HB ASN 53 9.213 -1.615 -14.823 353 1HD2 ASN 53 1HD2 ASN 53 6.297 -3.228 -13.715 354 2HD2 ASN 53 2HD2 ASN 53 7.086 -4.727 -13.323 355 H VAL 54 H VAL 54 7.376 0.674 -14.740 356 HA VAL 54 HA VAL 54 4.831 1.223 -13.330 357 HB VAL 54 HB VAL 54 6.125 3.205 -15.194 358 1HG1 VAL 54 1HG1 VAL 54 3.747 3.491 -14.899 359 2HG1 VAL 54 2HG1 VAL 54 4.599 4.779 -14.048 360 3HG1 VAL 54 3HG1 VAL 54 3.920 3.422 -13.144 361 1HG2 VAL 54 1HG2 VAL 54 6.868 4.435 -13.209 362 2HG2 VAL 54 2HG2 VAL 54 7.631 2.848 -13.303 363 3HG2 VAL 54 3HG2 VAL 54 6.296 3.120 -12.180 364 H LEU 55 H LEU 55 2.919 1.236 -14.540 365 HA LEU 55 HA LEU 55 3.212 -0.245 -17.025 366 1HB LEU 55 1HB LEU 55 0.817 0.251 -15.250 367 2HB LEU 55 2HB LEU 55 0.845 -0.801 -16.657 368 HG LEU 55 HG LEU 55 2.716 -1.247 -14.388 369 1HD1 LEU 55 1HD1 LEU 55 0.442 -1.185 -13.458 370 2HD1 LEU 55 2HD1 LEU 55 1.238 -2.755 -13.331 371 3HD1 LEU 55 3HD1 LEU 55 0.003 -2.485 -14.570 372 1HD2 LEU 55 1HD2 LEU 55 3.245 -2.416 -16.383 373 2HD2 LEU 55 2HD2 LEU 55 1.583 -2.981 -16.539 374 3HD2 LEU 55 3HD2 LEU 55 2.594 -3.568 -15.215 375 H GLN 56 H GLN 56 1.365 0.207 -18.588 376 HA GLN 56 HA GLN 56 0.831 3.085 -18.785 377 1HB GLN 56 1HB GLN 56 2.675 2.321 -20.349 378 2HB GLN 56 2HB GLN 56 1.480 1.300 -21.139 379 1HG GLN 56 1HG GLN 56 0.127 3.429 -21.473 380 2HG GLN 56 2HG GLN 56 1.599 4.292 -21.029 381 1HE2 GLN 56 1HE2 GLN 56 0.036 2.315 -23.376 382 2HE2 GLN 56 2HE2 GLN 56 1.187 2.537 -24.649 383 H ASP 57 H ASP 57 -1.187 3.567 -19.844 384 HA ASP 57 HA ASP 57 -3.194 1.634 -19.274 385 1HB ASP 57 1HB ASP 57 -3.420 4.175 -19.187 386 2HB ASP 57 2HB ASP 57 -3.543 4.123 -20.945 387 H GLY 58 H GLY 58 -2.978 -0.170 -20.476 388 1HA GLY 58 1HA GLY 58 -4.040 -1.045 -22.571 389 2HA GLY 58 2HA GLY 58 -3.050 0.141 -23.411 390 H ASP 59 H ASP 59 -1.047 -0.687 -21.086 391 HA ASP 59 HA ASP 59 0.535 -2.410 -22.691 392 1HB ASP 59 1HB ASP 59 1.111 -0.714 -20.691 393 2HB ASP 59 2HB ASP 59 1.075 -2.214 -19.774 394 H THR 60 H THR 60 1.578 -4.416 -21.472 395 HA THR 60 HA THR 60 -0.670 -6.174 -20.766 396 HB THR 60 HB THR 60 2.067 -6.963 -21.772 397 HG1 THR 60 HG1 THR 60 1.218 -6.105 -23.558 398 1HG2 THR 60 1HG2 THR 60 1.001 -9.124 -22.222 399 2HG2 THR 60 2HG2 THR 60 -0.507 -8.521 -21.535 400 3HG2 THR 60 3HG2 THR 60 0.916 -8.707 -20.510 401 H ILE 61 H ILE 61 -0.622 -7.288 -18.826 402 HA ILE 61 HA ILE 61 1.776 -6.845 -17.166 403 HB ILE 61 HB ILE 61 0.473 -6.497 -15.222 404 1HG1 ILE 61 1HG1 ILE 61 -2.193 -6.434 -15.754 405 2HG1 ILE 61 2HG1 ILE 61 -1.687 -7.744 -16.812 406 1HG2 ILE 61 1HG2 ILE 61 -0.854 -4.526 -15.764 407 2HG2 ILE 61 2HG2 ILE 61 -0.855 -4.984 -17.467 408 3HG2 ILE 61 3HG2 ILE 61 0.656 -4.549 -16.672 409 1HD1 ILE 61 1HD1 ILE 61 -1.195 -7.586 -13.845 410 2HD1 ILE 61 2HD1 ILE 61 -0.695 -8.901 -14.911 411 3HD1 ILE 61 3HD1 ILE 61 -2.411 -8.581 -14.651 412 H THR 62 H THR 62 2.055 -8.482 -15.440 413 HA THR 62 HA THR 62 0.511 -10.928 -15.740 414 HB THR 62 HB THR 62 3.430 -10.660 -16.335 415 HG1 THR 62 HG1 THR 62 1.320 -11.125 -17.740 416 1HG2 THR 62 1HG2 THR 62 3.388 -12.254 -14.494 417 2HG2 THR 62 2HG2 THR 62 3.737 -13.077 -16.015 418 3HG2 THR 62 3HG2 THR 62 2.126 -13.184 -15.306 419 H VAL 63 H VAL 63 -0.039 -11.618 -13.808 420 HA VAL 63 HA VAL 63 1.001 -10.578 -11.392 421 HB VAL 63 HB VAL 63 -1.302 -11.809 -11.970 422 1HG1 VAL 63 1HG1 VAL 63 0.405 -13.996 -10.843 423 2HG1 VAL 63 2HG1 VAL 63 -0.431 -13.981 -12.398 424 3HG1 VAL 63 3HG1 VAL 63 -1.358 -14.030 -10.897 425 1HG2 VAL 63 1HG2 VAL 63 -1.699 -12.063 -9.580 426 2HG2 VAL 63 2HG2 VAL 63 -0.821 -10.571 -9.921 427 3HG2 VAL 63 3HG2 VAL 63 0.036 -11.975 -9.279 428 H ILE 64 H ILE 64 2.878 -11.093 -10.473 429 HA ILE 64 HA ILE 64 4.216 -13.513 -11.228 430 HB ILE 64 HB ILE 64 6.167 -12.622 -10.131 431 1HG1 ILE 64 1HG1 ILE 64 4.801 -11.530 -8.228 432 2HG1 ILE 64 2HG1 ILE 64 6.234 -10.684 -8.793 433 1HG2 ILE 64 1HG2 ILE 64 4.690 -10.533 -11.714 434 2HG2 ILE 64 2HG2 ILE 64 5.694 -11.835 -12.360 435 3HG2 ILE 64 3HG2 ILE 64 6.428 -10.540 -11.410 436 1HD1 ILE 64 1HD1 ILE 64 4.640 -9.365 -10.267 437 2HD1 ILE 64 2HD1 ILE 64 4.646 -9.042 -8.535 438 3HD1 ILE 64 3HD1 ILE 64 3.366 -10.022 -9.238 439 H LYS 65 H LYS 65 1.828 -13.511 -9.113 440 HA LYS 65 HA LYS 65 3.247 -15.264 -7.310 441 1HB LYS 65 1HB LYS 65 1.733 -12.794 -6.499 442 2HB LYS 65 2HB LYS 65 1.797 -14.187 -5.431 443 1HG LYS 65 1HG LYS 65 3.764 -13.536 -4.669 444 2HG LYS 65 2HG LYS 65 4.441 -13.584 -6.298 445 1HD LYS 65 1HD LYS 65 3.868 -11.321 -6.699 446 2HD LYS 65 2HD LYS 65 2.837 -11.255 -5.269 447 1HE LYS 65 1HE LYS 65 4.768 -11.464 -3.826 448 2HE LYS 65 2HE LYS 65 5.825 -11.659 -5.222 449 1HZ LYS 65 1HZ LYS 65 5.412 -9.333 -4.007 450 2HZ LYS 65 2HZ LYS 65 4.203 -9.244 -5.189 451 3HZ LYS 65 3HZ LYS 65 5.821 -9.466 -5.647 452 H ASP 66 H ASP 66 1.731 -16.669 -6.177 453 HA ASP 66 HA ASP 66 -0.677 -17.156 -7.661 454 1HB ASP 66 1HB ASP 66 -0.977 -19.153 -6.439 455 2HB ASP 66 2HB ASP 66 0.755 -18.998 -6.682 456 H LEU 67 H LEU 67 -2.410 -16.124 -7.454 457 HA LEU 67 HA LEU 67 -3.503 -15.561 -4.777 458 1HB LEU 67 1HB LEU 67 -4.159 -13.880 -7.187 459 2HB LEU 67 2HB LEU 67 -4.443 -13.515 -5.501 460 HG LEU 67 HG LEU 67 -1.772 -13.482 -6.905 461 1HD1 LEU 67 1HD1 LEU 67 -1.875 -11.070 -6.502 462 2HD1 LEU 67 2HD1 LEU 67 -3.487 -11.253 -5.811 463 3HD1 LEU 67 3HD1 LEU 67 -3.211 -11.616 -7.515 464 1HD2 LEU 67 1HD2 LEU 67 -1.448 -14.193 -4.638 465 2HD2 LEU 67 2HD2 LEU 67 -2.497 -12.904 -4.038 466 3HD2 LEU 67 3HD2 LEU 67 -0.947 -12.506 -4.782 467 H LYS 68 H LYS 68 -5.663 -16.202 -4.564 468 HA LYS 68 HA LYS 68 -6.856 -17.554 -6.842 469 1HB LYS 68 1HB LYS 68 -8.560 -18.323 -5.313 470 2HB LYS 68 2HB LYS 68 -6.967 -18.608 -4.629 471 1HG LYS 68 1HG LYS 68 -7.191 -16.753 -3.141 472 2HG LYS 68 2HG LYS 68 -8.701 -16.257 -3.913 473 1HD LYS 68 1HD LYS 68 -9.084 -17.455 -1.805 474 2HD LYS 68 2HD LYS 68 -9.771 -18.299 -3.193 475 1HE LYS 68 1HE LYS 68 -8.658 -19.878 -1.714 476 2HE LYS 68 2HE LYS 68 -7.814 -19.775 -3.261 477 1HZ LYS 68 1HZ LYS 68 -6.302 -19.785 -1.344 478 2HZ LYS 68 2HZ LYS 68 -6.990 -18.339 -0.788 479 3HZ LYS 68 3HZ LYS 68 -6.154 -18.368 -2.263 480 H VAL 69 H VAL 69 -9.476 -17.192 -6.811 481 HA VAL 69 HA VAL 69 -9.943 -14.303 -6.838 482 HB VAL 69 HB VAL 69 -11.049 -16.081 -9.013 483 1HG1 VAL 69 1HG1 VAL 69 -11.509 -13.970 -10.128 484 2HG1 VAL 69 2HG1 VAL 69 -10.762 -13.089 -8.794 485 3HG1 VAL 69 3HG1 VAL 69 -12.244 -14.009 -8.524 486 1HG2 VAL 69 1HG2 VAL 69 -8.609 -14.324 -9.226 487 2HG2 VAL 69 2HG2 VAL 69 -9.389 -15.192 -10.550 488 3HG2 VAL 69 3HG2 VAL 69 -8.613 -16.087 -9.242 489 H LYS 70 H LYS 70 -11.892 -13.803 -5.911 490 HA LYS 70 HA LYS 70 -13.118 -15.974 -4.499 491 1HB LYS 70 1HB LYS 70 -12.582 -13.651 -3.579 492 2HB LYS 70 2HB LYS 70 -14.009 -13.099 -4.446 493 1HG LYS 70 1HG LYS 70 -14.494 -13.564 -2.103 494 2HG LYS 70 2HG LYS 70 -15.400 -14.633 -3.178 495 1HD LYS 70 1HD LYS 70 -14.545 -15.959 -1.374 496 2HD LYS 70 2HD LYS 70 -13.629 -16.357 -2.830 497 1HE LYS 70 1HE LYS 70 -11.804 -14.929 -2.097 498 2HE LYS 70 2HE LYS 70 -12.721 -14.463 -0.665 499 1HZ LYS 70 1HZ LYS 70 -11.937 -17.261 -1.278 500 2HZ LYS 70 2HZ LYS 70 -12.600 -16.672 0.170 501 3HZ LYS 70 3HZ LYS 70 -11.027 -16.228 -0.287 502 H GLY 71 H GLY 71 -14.455 -13.408 -6.620 503 1HA GLY 71 1HA GLY 71 -16.930 -14.954 -6.847 504 2HA GLY 71 2HA GLY 71 -16.674 -13.310 -7.413 505 H SER 72 H SER 72 -14.785 -16.213 -8.089 506 HA SER 72 HA SER 72 -15.643 -16.228 -10.818 507 1HB SER 72 1HB SER 72 -12.772 -15.637 -10.094 508 2HB SER 72 2HB SER 72 -13.326 -16.096 -11.696 509 HG SER 72 HG SER 72 -14.866 -14.114 -10.855 510 H SER 73 H SER 73 -14.771 -18.150 -11.979 511 HA SER 73 HA SER 73 -13.957 -20.288 -10.151 512 1HB SER 73 1HB SER 73 -14.214 -21.740 -12.183 513 2HB SER 73 2HB SER 73 -15.693 -20.891 -11.733 514 HG SER 73 HG SER 73 -14.169 -20.694 -13.998 515 H LEU 74 H LEU 74 -12.579 -17.847 -11.644 516 HA LEU 74 HA LEU 74 -10.294 -19.054 -12.866 517 1HB LEU 74 1HB LEU 74 -11.126 -16.252 -12.256 518 2HB LEU 74 2HB LEU 74 -9.465 -16.588 -12.691 519 HG LEU 74 HG LEU 74 -10.371 -17.690 -14.793 520 1HD1 LEU 74 1HD1 LEU 74 -12.595 -16.995 -15.523 521 2HD1 LEU 74 2HD1 LEU 74 -12.874 -16.238 -13.954 522 3HD1 LEU 74 3HD1 LEU 74 -12.673 -17.986 -14.066 523 1HD2 LEU 74 1HD2 LEU 74 -9.297 -15.515 -14.814 524 2HD2 LEU 74 2HD2 LEU 74 -10.821 -14.739 -14.384 525 3HD2 LEU 74 3HD2 LEU 74 -10.652 -15.547 -15.943 526 H VAL 75 H VAL 75 -8.121 -17.694 -11.998 527 HA VAL 75 HA VAL 75 -7.561 -18.205 -9.349 528 HB VAL 75 HB VAL 75 -6.665 -20.389 -11.252 529 1HG1 VAL 75 1HG1 VAL 75 -5.950 -19.940 -8.351 530 2HG1 VAL 75 2HG1 VAL 75 -4.877 -19.680 -9.729 531 3HG1 VAL 75 3HG1 VAL 75 -5.439 -21.307 -9.344 532 1HG2 VAL 75 1HG2 VAL 75 -8.939 -20.735 -10.393 533 2HG2 VAL 75 2HG2 VAL 75 -8.331 -20.580 -8.742 534 3HG2 VAL 75 3HG2 VAL 75 -7.811 -21.932 -9.751 535 H VAL 76 H VAL 76 -5.917 -16.797 -9.106 536 HA VAL 76 HA VAL 76 -4.657 -15.788 -11.523 537 HB VAL 76 HB VAL 76 -4.606 -14.745 -8.687 538 1HG1 VAL 76 1HG1 VAL 76 -2.598 -14.104 -9.880 539 2HG1 VAL 76 2HG1 VAL 76 -3.656 -12.714 -9.634 540 3HG1 VAL 76 3HG1 VAL 76 -3.574 -13.493 -11.215 541 1HG2 VAL 76 1HG2 VAL 76 -6.107 -13.807 -11.123 542 2HG2 VAL 76 2HG2 VAL 76 -6.078 -12.990 -9.561 543 3HG2 VAL 76 3HG2 VAL 76 -6.802 -14.591 -9.705 544 H LYS 77 H LYS 77 -3.032 -17.071 -12.119 545 HA LYS 77 HA LYS 77 -1.126 -17.956 -10.065 546 1HB LYS 77 1HB LYS 77 -0.417 -19.666 -11.781 547 2HB LYS 77 2HB LYS 77 -2.024 -19.862 -11.109 548 1HG LYS 77 1HG LYS 77 -2.301 -20.311 -13.367 549 2HG LYS 77 2HG LYS 77 -2.845 -18.642 -13.208 550 1HD LYS 77 1HD LYS 77 -0.889 -17.798 -14.195 551 2HD LYS 77 2HD LYS 77 -0.026 -19.320 -13.980 552 1HE LYS 77 1HE LYS 77 -0.617 -19.059 -16.302 553 2HE LYS 77 2HE LYS 77 -1.556 -20.377 -15.604 554 1HZ LYS 77 1HZ LYS 77 -2.481 -17.646 -16.292 555 2HZ LYS 77 2HZ LYS 77 -3.382 -18.681 -15.296 556 3HZ LYS 77 3HZ LYS 77 -3.043 -19.128 -16.896 557 H VAL 78 H VAL 78 1.052 -17.680 -10.274 558 HA VAL 78 HA VAL 78 2.062 -15.394 -11.421 559 HB VAL 78 HB VAL 78 3.377 -16.505 -9.779 560 1HG1 VAL 78 1HG1 VAL 78 3.640 -18.815 -11.697 561 2HG1 VAL 78 2HG1 VAL 78 2.724 -18.803 -10.190 562 3HG1 VAL 78 3HG1 VAL 78 4.482 -18.666 -10.155 563 1HG2 VAL 78 1HG2 VAL 78 5.594 -16.618 -10.827 564 2HG2 VAL 78 2HG2 VAL 78 4.673 -15.218 -11.374 565 3HG2 VAL 78 3HG2 VAL 78 4.831 -16.631 -12.416 566 H GLY 79 H GLY 79 1.568 -14.933 -13.468 567 1HA GLY 79 1HA GLY 79 2.824 -15.151 -15.700 568 2HA GLY 79 2HA GLY 79 2.339 -16.840 -15.589 569 H THR 80 H THR 80 0.065 -15.054 -14.177 570 HA THR 80 HA THR 80 -1.944 -15.413 -16.143 571 HB THR 80 HB THR 80 -2.006 -13.469 -13.824 572 HG1 THR 80 HG1 THR 80 -1.793 -15.660 -13.177 573 1HG2 THR 80 1HG2 THR 80 -4.444 -13.551 -14.099 574 2HG2 THR 80 2HG2 THR 80 -4.248 -14.571 -15.525 575 3HG2 THR 80 3HG2 THR 80 -3.660 -12.909 -15.543 576 H LYS 81 H LYS 81 -1.752 -14.545 -18.026 577 HA LYS 81 HA LYS 81 -0.572 -11.881 -18.237 578 1HB LYS 81 1HB LYS 81 0.326 -13.724 -19.676 579 2HB LYS 81 2HB LYS 81 -1.190 -13.685 -20.573 580 1HG LYS 81 1HG LYS 81 0.139 -11.085 -20.224 581 2HG LYS 81 2HG LYS 81 0.995 -12.243 -21.231 582 1HD LYS 81 1HD LYS 81 -1.915 -11.630 -21.639 583 2HD LYS 81 2HD LYS 81 -0.645 -10.654 -22.380 584 1HE LYS 81 1HE LYS 81 -0.941 -13.634 -22.710 585 2HE LYS 81 2HE LYS 81 -1.521 -12.433 -23.866 586 1HZ LYS 81 1HZ LYS 81 0.623 -13.297 -24.531 587 2HZ LYS 81 2HZ LYS 81 1.313 -12.842 -23.051 588 3HZ LYS 81 3HZ LYS 81 0.768 -11.655 -24.130 589 H VAL 82 H VAL 82 -1.744 -10.209 -18.279 590 HA VAL 82 HA VAL 82 -4.275 -10.216 -19.760 591 HB VAL 82 HB VAL 82 -3.835 -8.916 -17.063 592 1HG1 VAL 82 1HG1 VAL 82 -6.314 -8.478 -17.283 593 2HG1 VAL 82 2HG1 VAL 82 -6.135 -8.885 -18.989 594 3HG1 VAL 82 3HG1 VAL 82 -5.249 -7.517 -18.313 595 1HG2 VAL 82 1HG2 VAL 82 -5.585 -11.250 -17.839 596 2HG2 VAL 82 2HG2 VAL 82 -5.551 -10.475 -16.255 597 3HG2 VAL 82 3HG2 VAL 82 -4.126 -11.324 -16.852 598 H LYS 83 H LYS 83 -4.106 -8.788 -21.320 599 HA LYS 83 HA LYS 83 -2.303 -6.522 -20.952 600 1HB LYS 83 1HB LYS 83 -2.254 -6.363 -23.414 601 2HB LYS 83 2HB LYS 83 -1.652 -7.897 -22.797 602 1HG LYS 83 1HG LYS 83 -3.776 -8.959 -23.362 603 2HG LYS 83 2HG LYS 83 -4.384 -7.413 -23.968 604 1HD LYS 83 1HD LYS 83 -2.655 -7.357 -25.655 605 2HD LYS 83 2HD LYS 83 -1.942 -8.836 -25.010 606 1HE LYS 83 1HE LYS 83 -3.936 -10.081 -25.605 607 2HE LYS 83 2HE LYS 83 -4.706 -8.604 -26.187 608 1HZ LYS 83 1HZ LYS 83 -3.101 -8.420 -27.915 609 2HZ LYS 83 2HZ LYS 83 -3.721 -10.000 -27.963 610 3HZ LYS 83 3HZ LYS 83 -2.187 -9.708 -27.300 611 H ASN 84 H ASN 84 -2.756 -4.632 -22.170 612 HA ASN 84 HA ASN 84 -3.997 -2.854 -22.904 613 1HB ASN 84 1HB ASN 84 -5.445 -5.040 -23.811 614 2HB ASN 84 2HB ASN 84 -6.635 -4.112 -22.905 615 1HD2 ASN 84 1HD2 ASN 84 -3.867 -2.963 -24.744 616 2HD2 ASN 84 2HD2 ASN 84 -4.783 -2.076 -25.908 617 H ILE 85 H ILE 85 -3.566 -3.359 -20.060 618 HA ILE 85 HA ILE 85 -5.850 -3.249 -18.535 619 HB ILE 85 HB ILE 85 -4.376 -2.429 -16.753 620 1HG1 ILE 85 1HG1 ILE 85 -2.155 -2.385 -18.804 621 2HG1 ILE 85 2HG1 ILE 85 -3.023 -0.930 -18.333 622 1HG2 ILE 85 1HG2 ILE 85 -3.181 -4.596 -18.476 623 2HG2 ILE 85 2HG2 ILE 85 -4.438 -4.800 -17.255 624 3HG2 ILE 85 3HG2 ILE 85 -2.808 -4.327 -16.773 625 1HD1 ILE 85 1HD1 ILE 85 -1.364 -2.684 -16.520 626 2HD1 ILE 85 2HD1 ILE 85 -2.274 -1.263 -16.012 627 3HD1 ILE 85 3HD1 ILE 85 -0.921 -1.088 -17.130 628 H ARG 86 H ARG 86 -6.113 -1.461 -16.915 629 HA ARG 86 HA ARG 86 -6.242 1.186 -18.173 630 1HB ARG 86 1HB ARG 86 -8.452 0.477 -18.408 631 2HB ARG 86 2HB ARG 86 -8.417 -0.465 -16.938 632 1HG ARG 86 1HG ARG 86 -9.902 1.517 -16.855 633 2HG ARG 86 2HG ARG 86 -8.686 1.470 -15.585 634 1HD ARG 86 1HD ARG 86 -9.145 3.704 -16.733 635 2HD ARG 86 2HD ARG 86 -7.467 3.216 -16.523 636 HE ARG 86 HE ARG 86 -7.280 2.874 -18.825 637 1HH1 ARG 86 1HH1 ARG 86 -10.516 3.888 -17.948 638 2HH1 ARG 86 2HH1 ARG 86 -10.902 4.456 -19.542 639 1HH2 ARG 86 1HH2 ARG 86 -7.771 3.602 -20.902 640 2HH2 ARG 86 2HH2 ARG 86 -9.352 4.259 -21.243 641 H LEU 87 H LEU 87 -5.236 2.637 -16.941 642 HA LEU 87 HA LEU 87 -4.413 2.009 -14.262 643 1HB LEU 87 1HB LEU 87 -4.305 4.666 -15.700 644 2HB LEU 87 2HB LEU 87 -3.365 4.193 -14.297 645 HG LEU 87 HG LEU 87 -3.119 2.922 -17.027 646 1HD1 LEU 87 1HD1 LEU 87 -1.292 4.899 -15.672 647 2HD1 LEU 87 2HD1 LEU 87 -2.364 5.257 -17.026 648 3HD1 LEU 87 3HD1 LEU 87 -1.028 4.125 -17.236 649 1HD2 LEU 87 1HD2 LEU 87 -2.523 1.421 -15.204 650 2HD2 LEU 87 2HD2 LEU 87 -1.433 2.641 -14.544 651 3HD2 LEU 87 3HD2 LEU 87 -1.094 1.911 -16.114 652 H VAL 88 H VAL 88 -5.865 2.019 -12.659 653 HA VAL 88 HA VAL 88 -8.398 3.236 -12.950 654 HB VAL 88 HB VAL 88 -7.346 2.230 -10.320 655 1HG1 VAL 88 1HG1 VAL 88 -10.033 2.002 -11.658 656 2HG1 VAL 88 2HG1 VAL 88 -9.604 3.109 -10.353 657 3HG1 VAL 88 3HG1 VAL 88 -9.615 1.369 -10.063 658 1HG2 VAL 88 1HG2 VAL 88 -8.095 0.531 -12.687 659 2HG2 VAL 88 2HG2 VAL 88 -7.990 -0.067 -11.027 660 3HG2 VAL 88 3HG2 VAL 88 -6.554 0.568 -11.827 661 H ASP 89 H ASP 89 -9.421 4.660 -11.416 662 HA ASP 89 HA ASP 89 -7.870 6.990 -10.761 663 1HB ASP 89 1HB ASP 89 -10.737 6.200 -10.348 664 2HB ASP 89 2HB ASP 89 -10.087 7.718 -9.749 665 H GLY 90 H GLY 90 -7.050 4.689 -9.452 666 1HA GLY 90 1HA GLY 90 -7.346 5.492 -6.660 667 2HA GLY 90 2HA GLY 90 -7.582 3.793 -7.087 668 H ASP 91 H ASP 91 -5.407 5.418 -5.603 669 HA ASP 91 HA ASP 91 -3.171 5.561 -7.325 670 1HB ASP 91 1HB ASP 91 -1.928 6.258 -5.412 671 2HB ASP 91 2HB ASP 91 -3.543 6.938 -5.254 672 H HIS 92 H HIS 92 -4.581 2.853 -6.003 673 HA HIS 92 HA HIS 92 -2.018 1.448 -5.877 674 1HB HIS 92 1HB HIS 92 -4.592 0.986 -4.457 675 2HB HIS 92 2HB HIS 92 -3.531 -0.385 -4.767 676 HD1 HIS 92 HD1 HIS 92 -1.654 -0.731 -3.143 677 HD2 HIS 92 HD2 HIS 92 -3.293 3.083 -2.897 678 HE1 HIS 92 HE1 HIS 92 -0.542 0.358 -1.172 679 HE2 HIS 92 HE2 HIS 92 -1.369 2.739 -1.207 680 H ASP 93 H ASP 93 -5.299 1.108 -7.414 681 HA ASP 93 HA ASP 93 -4.674 -1.594 -8.053 682 1HB ASP 93 1HB ASP 93 -7.150 0.050 -8.396 683 2HB ASP 93 2HB ASP 93 -7.037 -1.682 -8.688 684 H ILE 94 H ILE 94 -4.852 -2.564 -9.933 685 HA ILE 94 HA ILE 94 -4.741 -0.970 -12.388 686 HB ILE 94 HB ILE 94 -3.965 -3.855 -11.984 687 1HG1 ILE 94 1HG1 ILE 94 -2.074 -1.539 -12.258 688 2HG1 ILE 94 2HG1 ILE 94 -2.668 -2.057 -10.684 689 1HG2 ILE 94 1HG2 ILE 94 -3.397 -1.921 -14.231 690 2HG2 ILE 94 2HG2 ILE 94 -4.516 -3.282 -14.290 691 3HG2 ILE 94 3HG2 ILE 94 -2.785 -3.571 -14.117 692 1HD1 ILE 94 1HD1 ILE 94 -1.749 -4.280 -11.092 693 2HD1 ILE 94 2HD1 ILE 94 -0.524 -3.011 -11.121 694 3HD1 ILE 94 3HD1 ILE 94 -1.105 -3.711 -12.635 695 H ASP 95 H ASP 95 -6.408 -1.068 -13.752 696 HA ASP 95 HA ASP 95 -8.393 -3.174 -13.349 697 1HB ASP 95 1HB ASP 95 -9.028 -0.756 -13.500 698 2HB ASP 95 2HB ASP 95 -8.516 -0.777 -15.186 699 H CYS 96 H CYS 96 -8.719 -4.738 -14.903 700 HA CYS 96 HA CYS 96 -6.837 -4.697 -17.142 701 1HB CYS 96 1HB CYS 96 -5.963 -6.912 -16.506 702 2HB CYS 96 2HB CYS 96 -5.626 -5.694 -15.288 703 HG CYS 96 HG CYS 96 -7.901 -6.538 -13.721 704 H LYS 97 H LYS 97 -7.355 -6.015 -18.859 705 HA LYS 97 HA LYS 97 -10.147 -6.834 -18.956 706 1HB LYS 97 1HB LYS 97 -8.092 -6.616 -21.162 707 2HB LYS 97 2HB LYS 97 -9.791 -6.990 -21.388 708 1HG LYS 97 1HG LYS 97 -10.382 -4.771 -20.537 709 2HG LYS 97 2HG LYS 97 -8.663 -4.400 -20.352 710 1HD LYS 97 1HD LYS 97 -8.323 -4.747 -22.743 711 2HD LYS 97 2HD LYS 97 -10.028 -5.147 -22.934 712 1HE LYS 97 1HE LYS 97 -10.615 -2.885 -22.160 713 2HE LYS 97 2HE LYS 97 -8.896 -2.497 -22.059 714 1HZ LYS 97 1HZ LYS 97 -10.285 -3.354 -24.539 715 2HZ LYS 97 2HZ LYS 97 -8.675 -2.830 -24.411 716 3HZ LYS 97 3HZ LYS 97 -9.950 -1.741 -24.137 717 H ILE 98 H ILE 98 -10.465 -8.831 -18.273 718 HA ILE 98 HA ILE 98 -8.567 -10.923 -19.085 719 HB ILE 98 HB ILE 98 -10.723 -10.997 -16.961 720 1HG1 ILE 98 1HG1 ILE 98 -7.748 -10.896 -16.525 721 2HG1 ILE 98 2HG1 ILE 98 -8.689 -9.422 -16.713 722 1HG2 ILE 98 1HG2 ILE 98 -10.198 -13.215 -17.852 723 2HG2 ILE 98 2HG2 ILE 98 -9.592 -13.040 -16.205 724 3HG2 ILE 98 3HG2 ILE 98 -8.480 -12.929 -17.569 725 1HD1 ILE 98 1HD1 ILE 98 -8.356 -9.888 -14.400 726 2HD1 ILE 98 2HD1 ILE 98 -9.029 -11.510 -14.588 727 3HD1 ILE 98 3HD1 ILE 98 -10.060 -10.094 -14.801 728 H ASP 99 H ASP 99 -9.814 -13.129 -19.656 729 HA ASP 99 HA ASP 99 -11.508 -12.093 -21.813 730 1HB ASP 99 1HB ASP 99 -9.147 -13.221 -22.290 731 2HB ASP 99 2HB ASP 99 -10.076 -14.699 -22.041 732 H GLY 100 H GLY 100 -13.489 -12.944 -21.919 733 1HA GLY 100 1HA GLY 100 -14.949 -14.828 -21.762 734 2HA GLY 100 2HA GLY 100 -13.937 -15.456 -20.476 735 H ILE 101 H ILE 101 -13.660 -13.466 -18.737 736 HA ILE 101 HA ILE 101 -16.392 -13.221 -17.739 737 HB ILE 101 HB ILE 101 -15.364 -12.656 -15.567 738 1HG1 ILE 101 1HG1 ILE 101 -12.734 -13.310 -16.915 739 2HG1 ILE 101 2HG1 ILE 101 -13.258 -11.683 -16.494 740 1HG2 ILE 101 1HG2 ILE 101 -14.493 -14.899 -15.095 741 2HG2 ILE 101 2HG2 ILE 101 -14.380 -15.209 -16.827 742 3HG2 ILE 101 3HG2 ILE 101 -15.956 -14.950 -16.079 743 1HD1 ILE 101 1HD1 ILE 101 -13.298 -12.309 -14.138 744 2HD1 ILE 101 2HD1 ILE 101 -11.705 -12.559 -14.853 745 3HD1 ILE 101 3HD1 ILE 101 -12.769 -13.936 -14.564 746 H GLY 102 H GLY 102 -13.564 -11.184 -18.489 747 1HA GLY 102 1HA GLY 102 -14.300 -8.948 -19.404 748 2HA GLY 102 2HA GLY 102 -15.284 -8.840 -17.949 749 H ALA 103 H ALA 103 -14.344 -7.260 -16.755 750 HA ALA 103 HA ALA 103 -11.425 -7.074 -16.743 751 1HB ALA 103 1HB ALA 103 -11.723 -4.765 -16.045 752 2HB ALA 103 2HB ALA 103 -13.470 -4.994 -15.976 753 3HB ALA 103 3HB ALA 103 -12.629 -5.088 -17.524 754 H MET 104 H MET 104 -10.376 -6.465 -14.726 755 HA MET 104 HA MET 104 -11.804 -6.891 -12.248 756 1HB MET 104 1HB MET 104 -11.260 -9.195 -12.969 757 2HB MET 104 2HB MET 104 -9.560 -8.761 -13.044 758 1HG MET 104 1HG MET 104 -9.443 -8.478 -10.692 759 2HG MET 104 2HG MET 104 -11.191 -8.591 -10.525 760 1HE MET 104 1HE MET 104 -11.746 -11.012 -12.606 761 2HE MET 104 2HE MET 104 -12.553 -10.859 -11.046 762 3HE MET 104 3HE MET 104 -11.776 -12.378 -11.490 763 H LYS 105 H LYS 105 -10.250 -6.641 -10.351 764 HA LYS 105 HA LYS 105 -8.289 -4.559 -11.035 765 1HB LYS 105 1HB LYS 105 -9.953 -4.840 -8.524 766 2HB LYS 105 2HB LYS 105 -8.844 -3.524 -8.893 767 1HG LYS 105 1HG LYS 105 -10.219 -2.673 -10.575 768 2HG LYS 105 2HG LYS 105 -11.155 -4.164 -10.688 769 1HD LYS 105 1HD LYS 105 -12.081 -3.758 -8.471 770 2HD LYS 105 2HD LYS 105 -11.133 -2.276 -8.344 771 1HE LYS 105 1HE LYS 105 -12.311 -1.392 -10.326 772 2HE LYS 105 2HE LYS 105 -13.294 -2.854 -10.366 773 1HZ LYS 105 1HZ LYS 105 -14.558 -1.217 -9.270 774 2HZ LYS 105 2HZ LYS 105 -13.260 -0.741 -8.293 775 3HZ LYS 105 3HZ LYS 105 -13.998 -2.249 -8.042 776 H LEU 106 H LEU 106 -6.258 -4.895 -10.431 777 HA LEU 106 HA LEU 106 -5.661 -7.229 -8.751 778 1HB LEU 106 1HB LEU 106 -3.917 -5.986 -10.863 779 2HB LEU 106 2HB LEU 106 -3.664 -7.514 -10.043 780 HG LEU 106 HG LEU 106 -6.039 -7.021 -11.828 781 1HD1 LEU 106 1HD1 LEU 106 -4.760 -8.162 -13.578 782 2HD1 LEU 106 2HD1 LEU 106 -3.340 -8.159 -12.530 783 3HD1 LEU 106 3HD1 LEU 106 -4.015 -6.632 -13.105 784 1HD2 LEU 106 1HD2 LEU 106 -6.075 -9.464 -11.934 785 2HD2 LEU 106 2HD2 LEU 106 -6.216 -8.898 -10.270 786 3HD2 LEU 106 3HD2 LEU 106 -4.681 -9.540 -10.856 787 H LYS 107 H LYS 107 -4.104 -7.085 -7.245 788 HA LYS 107 HA LYS 107 -3.520 -4.490 -6.204 789 1HB LYS 107 1HB LYS 107 -3.836 -6.712 -4.889 790 2HB LYS 107 2HB LYS 107 -2.120 -6.942 -5.222 791 1HG LYS 107 1HG LYS 107 -1.522 -5.006 -4.032 792 2HG LYS 107 2HG LYS 107 -3.197 -4.459 -3.932 793 1HD LYS 107 1HD LYS 107 -2.343 -7.065 -2.732 794 2HD LYS 107 2HD LYS 107 -2.127 -5.549 -1.856 795 1HE LYS 107 1HE LYS 107 -4.572 -5.121 -2.176 796 2HE LYS 107 2HE LYS 107 -4.712 -6.747 -2.845 797 1HZ LYS 107 1HZ LYS 107 -3.722 -6.104 -0.116 798 2HZ LYS 107 2HZ LYS 107 -3.940 -7.659 -0.760 799 3HZ LYS 107 3HZ LYS 107 -5.283 -6.663 -0.478 800 H SER 108 H SER 108 -1.907 -3.223 -6.623 801 HA SER 108 HA SER 108 -0.112 -3.471 -8.656 802 1HB SER 108 1HB SER 108 -0.517 -1.337 -7.703 803 2HB SER 108 2HB SER 108 0.006 -1.862 -6.109 804 HG SER 108 HG SER 108 1.648 -1.594 -8.414 805 H GLU 109 H GLU 109 0.336 -4.503 -5.308 806 HA GLU 109 HA GLU 109 3.129 -4.925 -5.592 807 1HB GLU 109 1HB GLU 109 2.973 -5.907 -3.354 808 2HB GLU 109 2HB GLU 109 2.154 -4.356 -3.447 809 1HG GLU 109 1HG GLU 109 0.020 -5.627 -3.773 810 2HG GLU 109 2HG GLU 109 0.925 -7.084 -3.367 811 H PHE 110 H PHE 110 0.504 -6.727 -6.766 812 HA PHE 110 HA PHE 110 2.121 -9.178 -6.578 813 1HB PHE 110 1HB PHE 110 -0.843 -8.753 -6.909 814 2HB PHE 110 2HB PHE 110 -0.078 -10.320 -7.127 815 HD1 PHE 110 HD1 PHE 110 1.784 -10.590 -5.004 816 HD2 PHE 110 HD2 PHE 110 -2.023 -8.700 -4.950 817 HE1 PHE 110 HE1 PHE 110 1.617 -11.011 -2.586 818 HE2 PHE 110 HE2 PHE 110 -2.199 -9.110 -2.531 819 HZ PHE 110 HZ PHE 110 -0.377 -10.268 -1.345 820 H VAL 111 H VAL 111 1.879 -6.801 -8.730 821 HA VAL 111 HA VAL 111 1.521 -8.632 -11.017 822 HB VAL 111 HB VAL 111 0.827 -6.720 -12.355 823 1HG1 VAL 111 1HG1 VAL 111 -0.889 -7.996 -11.194 824 2HG1 VAL 111 2HG1 VAL 111 -1.333 -6.290 -11.269 825 3HG1 VAL 111 3HG1 VAL 111 -0.705 -6.973 -9.769 826 1HG2 VAL 111 1HG2 VAL 111 0.512 -4.546 -11.403 827 2HG2 VAL 111 2HG2 VAL 111 2.172 -5.053 -11.108 828 3HG2 VAL 111 3HG2 VAL 111 0.982 -5.124 -9.807 829 H ARG 112 H ARG 112 2.530 -7.768 -13.062 830 HA ARG 112 HA ARG 112 5.054 -6.381 -12.747 831 1HB ARG 112 1HB ARG 112 5.910 -8.510 -12.309 832 2HB ARG 112 2HB ARG 112 4.802 -9.291 -13.425 833 1HG ARG 112 1HG ARG 112 6.096 -8.837 -15.252 834 2HG ARG 112 2HG ARG 112 6.831 -7.409 -14.520 835 1HD ARG 112 1HD ARG 112 8.121 -8.837 -13.023 836 2HD ARG 112 2HD ARG 112 7.368 -10.263 -13.719 837 HE ARG 112 HE ARG 112 8.896 -8.478 -15.474 838 1HH1 ARG 112 1HH1 ARG 112 8.571 -11.565 -13.853 839 2HH1 ARG 112 2HH1 ARG 112 9.864 -12.315 -14.738 840 1HH2 ARG 112 1HH2 ARG 112 10.590 -9.473 -16.655 841 2HH2 ARG 112 2HH2 ARG 112 10.985 -11.136 -16.348 842 H LYS 113 H LYS 113 5.472 -5.169 -14.496 843 HA LYS 113 HA LYS 113 3.791 -5.163 -16.769 844 1HB LYS 113 1HB LYS 113 4.957 -3.148 -15.980 845 2HB LYS 113 2HB LYS 113 6.503 -3.888 -16.372 846 1HG LYS 113 1HG LYS 113 5.851 -3.963 -18.736 847 2HG LYS 113 2HG LYS 113 4.332 -3.162 -18.327 848 1HD LYS 113 1HD LYS 113 5.596 -1.241 -17.469 849 2HD LYS 113 2HD LYS 113 7.102 -2.048 -17.915 850 1HE LYS 113 1HE LYS 113 6.428 -2.047 -20.249 851 2HE LYS 113 2HE LYS 113 4.900 -1.276 -19.822 852 1HZ LYS 113 1HZ LYS 113 7.628 -0.134 -19.578 853 2HZ LYS 113 2HZ LYS 113 6.251 0.592 -18.918 854 3HZ LYS 113 3HZ LYS 113 6.380 0.399 -20.598 855 H VAL 114 H VAL 114 3.825 -6.529 -18.382 856 HA VAL 114 HA VAL 114 6.211 -8.086 -19.001 857 HB VAL 114 HB VAL 114 3.590 -8.259 -20.461 858 1HG1 VAL 114 1HG1 VAL 114 5.782 -10.263 -19.953 859 2HG1 VAL 114 2HG1 VAL 114 5.467 -9.416 -21.467 860 3HG1 VAL 114 3HG1 VAL 114 4.293 -10.575 -20.845 861 1HG2 VAL 114 1HG2 VAL 114 4.320 -9.610 -17.877 862 2HG2 VAL 114 2HG2 VAL 114 2.947 -10.048 -18.894 863 3HG2 VAL 114 3HG2 VAL 114 3.014 -8.453 -18.146 864 H GLY 115 H GLY 115 3.752 -6.473 -20.994 865 1HA GLY 115 1HA GLY 115 4.556 -4.655 -22.504 866 2HA GLY 115 2HA GLY 115 5.898 -5.730 -22.876 867 H SER 116 H SER 116 4.500 -8.155 -23.065 868 HA SER 116 HA SER 116 2.380 -7.833 -25.001 869 1HB SER 116 1HB SER 116 5.031 -9.065 -25.811 870 2HB SER 116 2HB SER 116 3.565 -9.065 -26.791 871 HG SER 116 HG SER 116 4.082 -6.562 -26.001 Start of MODEL 14 1 H MET 1 H MET 1 7.668 21.120 16.922 2 HA MET 1 HA MET 1 5.857 19.997 15.737 3 1HB MET 1 1HB MET 1 4.792 22.042 14.964 4 2HB MET 1 2HB MET 1 5.703 22.365 16.432 5 1HG MET 1 1HG MET 1 6.738 22.920 13.663 6 2HG MET 1 2HG MET 1 5.900 24.108 14.660 7 1HE MET 1 1HE MET 1 9.050 23.938 13.323 8 2HE MET 1 2HE MET 1 9.842 24.956 14.528 9 3HE MET 1 3HE MET 1 8.264 25.415 13.884 10 H VAL 2 H VAL 2 8.572 20.190 14.004 11 HA VAL 2 HA VAL 2 7.299 19.122 11.652 12 HB VAL 2 HB VAL 2 7.244 21.550 11.226 13 1HG1 VAL 2 1HG1 VAL 2 10.247 21.410 11.455 14 2HG1 VAL 2 2HG1 VAL 2 9.152 22.240 12.560 15 3HG1 VAL 2 3HG1 VAL 2 9.322 22.804 10.898 16 1HG2 VAL 2 1HG2 VAL 2 9.210 20.049 9.515 17 2HG2 VAL 2 2HG2 VAL 2 8.364 21.525 9.043 18 3HG2 VAL 2 3HG2 VAL 2 7.456 20.044 9.347 19 H SER 3 H SER 3 8.754 17.975 10.296 20 HA SER 3 HA SER 3 10.621 16.869 9.647 21 1HB SER 3 1HB SER 3 12.109 18.807 11.430 22 2HB SER 3 2HB SER 3 12.828 17.752 10.216 23 HG SER 3 HG SER 3 11.337 18.893 8.708 24 H THR 4 H THR 4 9.091 15.808 11.663 25 HA THR 4 HA THR 4 11.037 14.056 12.887 26 HB THR 4 HB THR 4 10.880 15.745 14.613 27 HG1 THR 4 HG1 THR 4 10.413 14.389 16.268 28 1HG2 THR 4 1HG2 THR 4 8.752 16.322 15.680 29 2HG2 THR 4 2HG2 THR 4 7.895 15.309 14.516 30 3HG2 THR 4 3HG2 THR 4 8.754 16.750 13.967 31 H LEU 5 H LEU 5 10.239 12.005 13.108 32 HA LEU 5 HA LEU 5 7.432 11.655 12.302 33 1HB LEU 5 1HB LEU 5 9.677 9.657 12.014 34 2HB LEU 5 2HB LEU 5 8.045 9.506 11.394 35 HG LEU 5 HG LEU 5 10.035 11.585 10.477 36 1HD1 LEU 5 1HD1 LEU 5 10.744 9.350 9.835 37 2HD1 LEU 5 2HD1 LEU 5 10.177 10.256 8.433 38 3HD1 LEU 5 3HD1 LEU 5 9.147 9.025 9.162 39 1HD2 LEU 5 1HD2 LEU 5 7.332 10.798 9.395 40 2HD2 LEU 5 2HD2 LEU 5 8.436 11.966 8.669 41 3HD2 LEU 5 3HD2 LEU 5 7.713 12.297 10.244 42 HA PRO 6 HA PRO 6 6.632 9.653 16.172 43 1HB PRO 6 1HB PRO 6 4.492 8.157 15.461 44 2HB PRO 6 2HB PRO 6 4.398 9.914 15.635 45 1HG PRO 6 1HG PRO 6 4.673 8.263 13.157 46 2HG PRO 6 2HG PRO 6 3.658 9.684 13.445 47 1HD PRO 6 1HD PRO 6 6.029 9.796 12.125 48 2HD PRO 6 2HD PRO 6 5.386 11.149 13.071 49 HA PRO 7 HA PRO 7 8.454 5.613 16.008 50 1HB PRO 7 1HB PRO 7 6.836 4.690 18.243 51 2HB PRO 7 2HB PRO 7 8.557 5.070 18.204 52 1HG PRO 7 1HG PRO 7 6.731 6.574 19.539 53 2HG PRO 7 2HG PRO 7 8.227 7.236 18.857 54 1HD PRO 7 1HD PRO 7 5.434 7.356 17.785 55 2HD PRO 7 2HD PRO 7 6.700 8.604 17.781 56 H CYS 8 H CYS 8 7.587 3.201 16.583 57 HA CYS 8 HA CYS 8 5.436 2.739 14.660 58 1HB CYS 8 1HB CYS 8 7.347 1.488 14.081 59 2HB CYS 8 2HB CYS 8 7.669 1.045 15.751 60 HA PRO 9 HA PRO 9 2.732 1.835 18.075 61 1HB PRO 9 1HB PRO 9 0.670 0.794 16.658 62 2HB PRO 9 2HB PRO 9 1.016 2.527 16.705 63 1HG PRO 9 1HG PRO 9 1.734 0.509 14.610 64 2HG PRO 9 2HG PRO 9 1.083 2.147 14.408 65 1HD PRO 9 1HD PRO 9 3.708 1.588 14.099 66 2HD PRO 9 2HD PRO 9 3.137 3.141 14.739 67 H GLN 10 H GLN 10 4.573 -0.300 16.500 68 HA GLN 10 HA GLN 10 3.394 -2.583 17.920 69 1HB GLN 10 1HB GLN 10 4.967 -2.684 15.350 70 2HB GLN 10 2HB GLN 10 4.312 -4.067 16.219 71 1HG GLN 10 1HG GLN 10 2.061 -3.261 15.843 72 2HG GLN 10 2HG GLN 10 2.704 -1.839 15.018 73 1HE2 GLN 10 1HE2 GLN 10 3.616 -2.062 13.004 74 2HE2 GLN 10 2HE2 GLN 10 3.373 -3.464 12.038 75 H CYS 11 H CYS 11 6.452 -0.908 16.972 76 HA CYS 11 HA CYS 11 7.893 -2.719 18.748 77 1HB CYS 11 1HB CYS 11 8.953 -0.756 16.695 78 2HB CYS 11 2HB CYS 11 9.889 -1.947 17.585 79 H ASN 12 H ASN 12 7.369 0.646 17.828 80 HA ASN 12 HA ASN 12 7.499 2.619 18.914 81 1HB ASN 12 1HB ASN 12 6.311 1.371 20.706 82 2HB ASN 12 2HB ASN 12 7.869 1.001 21.436 83 1HD2 ASN 12 1HD2 ASN 12 5.530 3.483 20.781 84 2HD2 ASN 12 2HD2 ASN 12 6.170 4.657 21.879 85 H SER 13 H SER 13 10.004 0.414 18.911 86 HA SER 13 HA SER 13 12.112 1.377 20.287 87 1HB SER 13 1HB SER 13 12.506 0.720 17.384 88 2HB SER 13 2HB SER 13 13.514 0.292 18.766 89 HG SER 13 HG SER 13 11.969 -1.337 17.701 90 H GLU 14 H GLU 14 11.882 2.315 16.874 91 HA GLU 14 HA GLU 14 11.664 4.972 16.811 92 1HB GLU 14 1HB GLU 14 13.880 5.985 16.964 93 2HB GLU 14 2HB GLU 14 13.425 5.243 18.489 94 1HG GLU 14 1HG GLU 14 14.836 3.313 17.962 95 2HG GLU 14 2HG GLU 14 15.306 4.084 16.445 96 H TYR 15 H TYR 15 12.691 2.144 15.446 97 HA TYR 15 HA TYR 15 14.227 3.133 13.256 98 1HB TYR 15 1HB TYR 15 12.944 0.459 13.826 99 2HB TYR 15 2HB TYR 15 13.892 0.780 12.378 100 HD1 TYR 15 HD1 TYR 15 14.075 0.696 16.088 101 HD2 TYR 15 HD2 TYR 15 16.237 0.648 12.425 102 HE1 TYR 15 HE1 TYR 15 16.132 0.146 17.316 103 HE2 TYR 15 HE2 TYR 15 18.298 0.096 13.643 104 HH TYR 15 HH TYR 15 18.290 -0.847 16.948 105 H THR 16 H THR 16 11.676 4.415 13.525 106 HA THR 16 HA THR 16 10.181 3.436 11.205 107 HB THR 16 HB THR 16 9.338 5.667 13.048 108 HG1 THR 16 HG1 THR 16 9.664 2.994 13.607 109 1HG2 THR 16 1HG2 THR 16 7.102 4.900 12.435 110 2HG2 THR 16 2HG2 THR 16 7.805 3.600 11.473 111 3HG2 THR 16 3HG2 THR 16 8.043 5.281 10.993 112 H TYR 17 H TYR 17 9.830 4.743 9.421 113 HA TYR 17 HA TYR 17 11.022 7.355 9.232 114 1HB TYR 17 1HB TYR 17 12.680 6.872 7.612 115 2HB TYR 17 2HB TYR 17 12.902 5.654 8.857 116 HD1 TYR 17 HD1 TYR 17 12.127 3.275 8.398 117 HD2 TYR 17 HD2 TYR 17 12.162 6.293 5.391 118 HE1 TYR 17 HE1 TYR 17 12.026 1.549 6.659 119 HE2 TYR 17 HE2 TYR 17 12.053 4.568 3.652 120 HH TYR 17 HH TYR 17 12.617 2.190 3.384 121 H GLU 18 H GLU 18 10.794 8.033 6.696 122 HA GLU 18 HA GLU 18 8.121 7.058 5.945 123 1HB GLU 18 1HB GLU 18 7.992 9.261 4.663 124 2HB GLU 18 2HB GLU 18 7.899 9.344 6.417 125 1HG GLU 18 1HG GLU 18 9.855 10.439 6.608 126 2HG GLU 18 2HG GLU 18 10.586 9.601 5.239 127 H ASP 19 H ASP 19 7.943 5.925 4.191 128 HA ASP 19 HA ASP 19 9.944 6.196 2.059 129 1HB ASP 19 1HB ASP 19 9.817 3.935 3.061 130 2HB ASP 19 2HB ASP 19 8.106 3.866 2.645 131 H GLY 20 H GLY 20 8.569 8.160 1.601 132 1HA GLY 20 1HA GLY 20 7.481 8.843 -0.417 133 2HA GLY 20 2HA GLY 20 6.550 7.354 -0.373 134 H ALA 21 H ALA 21 4.596 7.359 0.556 135 HA ALA 21 HA ALA 21 3.646 9.994 1.462 136 1HB ALA 21 1HB ALA 21 2.097 7.770 0.150 137 2HB ALA 21 2HB ALA 21 2.710 9.214 -0.657 138 3HB ALA 21 3HB ALA 21 1.469 9.358 0.589 139 H LEU 22 H LEU 22 4.726 7.617 3.060 140 HA LEU 22 HA LEU 22 2.824 7.800 5.177 141 1HB LEU 22 1HB LEU 22 2.114 5.593 5.354 142 2HB LEU 22 2HB LEU 22 1.943 5.957 3.648 143 HG LEU 22 HG LEU 22 4.305 4.482 4.806 144 1HD1 LEU 22 1HD1 LEU 22 2.334 3.201 5.238 145 2HD1 LEU 22 2HD1 LEU 22 3.211 2.473 3.889 146 3HD1 LEU 22 3HD1 LEU 22 1.771 3.442 3.584 147 1HD2 LEU 22 1HD2 LEU 22 4.655 3.774 2.482 148 2HD2 LEU 22 2HD2 LEU 22 4.757 5.526 2.654 149 3HD2 LEU 22 3HD2 LEU 22 3.304 4.789 1.975 150 H LEU 23 H LEU 23 3.582 5.942 6.874 151 HA LEU 23 HA LEU 23 6.514 6.126 7.021 152 1HB LEU 23 1HB LEU 23 4.634 5.593 9.314 153 2HB LEU 23 2HB LEU 23 6.330 6.030 9.394 154 HG LEU 23 HG LEU 23 4.102 7.840 8.471 155 1HD1 LEU 23 1HD1 LEU 23 3.997 7.393 10.849 156 2HD1 LEU 23 2HD1 LEU 23 4.536 9.045 10.550 157 3HD1 LEU 23 3HD1 LEU 23 5.702 7.808 11.019 158 1HD2 LEU 23 1HD2 LEU 23 7.034 8.394 8.906 159 2HD2 LEU 23 2HD2 LEU 23 5.802 9.597 8.524 160 3HD2 LEU 23 3HD2 LEU 23 6.203 8.343 7.351 161 H VAL 24 H VAL 24 7.649 4.245 7.145 162 HA VAL 24 HA VAL 24 6.100 1.779 7.505 163 HB VAL 24 HB VAL 24 6.965 0.700 5.710 164 1HG1 VAL 24 1HG1 VAL 24 5.848 2.632 4.791 165 2HG1 VAL 24 2HG1 VAL 24 7.199 2.156 3.762 166 3HG1 VAL 24 3HG1 VAL 24 7.354 3.549 4.832 167 1HG2 VAL 24 1HG2 VAL 24 9.277 0.733 6.418 168 2HG2 VAL 24 2HG2 VAL 24 9.454 2.395 5.851 169 3HG2 VAL 24 3HG2 VAL 24 9.168 1.094 4.694 170 H CYS 25 H CYS 25 7.007 0.242 8.782 171 HA CYS 25 HA CYS 25 9.469 1.022 10.160 172 1HB CYS 25 1HB CYS 25 7.491 0.715 11.574 173 2HB CYS 25 2HB CYS 25 7.276 -0.910 10.937 174 HA PRO 26 HA PRO 26 11.201 -2.310 7.646 175 1HB PRO 26 1HB PRO 26 13.783 -1.762 8.341 176 2HB PRO 26 2HB PRO 26 12.919 -0.909 7.057 177 1HG PRO 26 1HG PRO 26 13.410 -0.080 9.888 178 2HG PRO 26 2HG PRO 26 13.492 0.891 8.405 179 1HD PRO 26 1HD PRO 26 11.365 0.968 10.071 180 2HD PRO 26 2HD PRO 26 11.205 1.179 8.315 181 H GLU 27 H GLU 27 11.208 -1.626 10.969 182 HA GLU 27 HA GLU 27 12.851 -3.742 11.895 183 1HB GLU 27 1HB GLU 27 12.126 -1.590 13.128 184 2HB GLU 27 2HB GLU 27 10.654 -2.471 13.509 185 1HG GLU 27 1HG GLU 27 12.032 -4.232 14.565 186 2HG GLU 27 2HG GLU 27 13.461 -3.246 14.265 187 H CYS 28 H CYS 28 9.223 -3.384 12.071 188 HA CYS 28 HA CYS 28 9.128 -6.292 12.270 189 1HB CYS 28 1HB CYS 28 6.791 -5.969 12.988 190 2HB CYS 28 2HB CYS 28 7.936 -5.104 14.004 191 H ALA 29 H ALA 29 9.236 -4.389 9.650 192 HA ALA 29 HA ALA 29 8.524 -4.579 7.541 193 1HB ALA 29 1HB ALA 29 7.935 -6.783 6.739 194 2HB ALA 29 2HB ALA 29 7.635 -7.330 8.389 195 3HB ALA 29 3HB ALA 29 9.268 -6.892 7.887 196 H HIS 30 H HIS 30 6.721 -3.184 9.105 197 HA HIS 30 HA HIS 30 4.316 -3.729 7.539 198 1HB HIS 30 1HB HIS 30 3.978 -4.731 9.823 199 2HB HIS 30 2HB HIS 30 4.138 -3.109 10.488 200 HD1 HIS 30 HD1 HIS 30 1.942 -2.001 10.890 201 HD2 HIS 30 HD2 HIS 30 1.774 -4.710 7.733 202 HE1 HIS 30 HE1 HIS 30 -0.440 -1.976 10.101 203 HE2 HIS 30 HE2 HIS 30 -0.477 -3.473 8.071 204 H GLU 31 H GLU 31 3.649 -1.978 6.558 205 HA GLU 31 HA GLU 31 4.669 0.624 7.358 206 1HB GLU 31 1HB GLU 31 2.850 0.027 5.028 207 2HB GLU 31 2HB GLU 31 3.953 1.381 5.227 208 1HG GLU 31 1HG GLU 31 5.202 0.159 3.802 209 2HG GLU 31 2HG GLU 31 5.736 -0.594 5.303 210 H TRP 32 H TRP 32 3.199 2.485 7.566 211 HA TRP 32 HA TRP 32 0.394 2.005 7.997 212 1HB TRP 32 1HB TRP 32 0.246 2.202 10.300 213 2HB TRP 32 2HB TRP 32 1.726 1.269 10.134 214 HD1 TRP 32 HD1 TRP 32 3.931 3.348 9.781 215 HE1 TRP 32 HE1 TRP 32 4.466 5.113 11.590 216 HE3 TRP 32 HE3 TRP 32 -0.524 3.329 12.273 217 HZ2 TRP 32 HZ2 TRP 32 3.167 6.320 13.781 218 HZ3 TRP 32 HZ3 TRP 32 -0.796 4.809 14.215 219 HH2 TRP 32 HH2 TRP 32 1.010 6.275 14.953 220 H SER 33 H SER 33 -0.735 4.034 8.586 221 HA SER 33 HA SER 33 0.830 6.390 7.797 222 1HB SER 33 1HB SER 33 -0.963 5.679 6.178 223 2HB SER 33 2HB SER 33 -2.150 6.010 7.439 224 HG SER 33 HG SER 33 -1.074 7.713 5.726 225 HA PRO 34 HA PRO 34 0.212 7.636 11.975 226 1HB PRO 34 1HB PRO 34 0.674 10.334 11.613 227 2HB PRO 34 2HB PRO 34 1.930 9.111 11.820 228 1HG PRO 34 1HG PRO 34 0.917 10.385 9.321 229 2HG PRO 34 2HG PRO 34 2.568 9.909 9.753 230 1HD PRO 34 1HD PRO 34 1.040 8.453 8.071 231 2HD PRO 34 2HD PRO 34 2.224 7.711 9.162 232 H ASN 35 H ASN 35 -1.280 9.764 9.505 233 HA ASN 35 HA ASN 35 -3.478 10.184 11.431 234 1HB ASN 35 1HB ASN 35 -2.342 12.089 9.387 235 2HB ASN 35 2HB ASN 35 -3.879 12.358 10.202 236 1HD2 ASN 35 1HD2 ASN 35 -1.505 13.984 10.297 237 2HD2 ASN 35 2HD2 ASN 35 -1.013 14.046 11.964 238 H GLU 36 H GLU 36 -2.672 9.540 8.072 239 HA GLU 36 HA GLU 36 -5.298 9.834 7.055 240 1HB GLU 36 1HB GLU 36 -3.264 9.900 5.649 241 2HB GLU 36 2HB GLU 36 -3.029 8.178 5.936 242 1HG GLU 36 1HG GLU 36 -4.884 7.590 4.658 243 2HG GLU 36 2HG GLU 36 -5.572 9.210 4.736 244 H ALA 37 H ALA 37 -3.684 7.188 8.649 245 HA ALA 37 HA ALA 37 -5.485 5.137 7.890 246 1HB ALA 37 1HB ALA 37 -3.302 4.651 8.886 247 2HB ALA 37 2HB ALA 37 -4.609 3.896 9.799 248 3HB ALA 37 3HB ALA 37 -3.839 5.362 10.409 249 H ALA 38 H ALA 38 -5.552 7.632 10.317 250 HA ALA 38 HA ALA 38 -7.958 6.617 11.568 251 1HB ALA 38 1HB ALA 38 -6.273 7.782 12.918 252 2HB ALA 38 2HB ALA 38 -7.829 8.612 12.964 253 3HB ALA 38 3HB ALA 38 -6.522 9.242 11.961 254 H THR 39 H THR 39 -7.106 9.671 9.944 255 HA THR 39 HA THR 39 -9.914 10.003 9.171 256 HB THR 39 HB THR 39 -9.170 12.324 8.523 257 HG1 THR 39 HG1 THR 39 -6.825 11.442 8.602 258 1HG2 THR 39 1HG2 THR 39 -10.281 11.899 10.659 259 2HG2 THR 39 2HG2 THR 39 -9.050 13.150 10.831 260 3HG2 THR 39 3HG2 THR 39 -8.727 11.513 11.399 261 H ALA 40 H ALA 40 -10.420 9.231 7.238 262 HA ALA 40 HA ALA 40 -8.621 9.733 4.990 263 1HB ALA 40 1HB ALA 40 -8.875 7.449 4.160 264 2HB ALA 40 2HB ALA 40 -9.813 7.025 5.592 265 3HB ALA 40 3HB ALA 40 -8.112 7.463 5.750 266 H SER 41 H SER 41 -9.802 9.013 2.904 267 HA SER 41 HA SER 41 -12.532 10.051 3.022 268 1HB SER 41 1HB SER 41 -10.804 9.553 0.581 269 2HB SER 41 2HB SER 41 -12.308 10.472 0.649 270 HG SER 41 HG SER 41 -11.197 12.154 1.220 271 H ASP 42 H ASP 42 -14.192 8.674 2.838 272 HA ASP 42 HA ASP 42 -13.533 5.886 2.303 273 1HB ASP 42 1HB ASP 42 -14.749 6.220 4.321 274 2HB ASP 42 2HB ASP 42 -15.984 7.159 3.491 275 H ASP 43 H ASP 43 -14.000 4.902 0.599 276 HA ASP 43 HA ASP 43 -16.250 5.081 -1.015 277 1HB ASP 43 1HB ASP 43 -15.367 7.331 -1.629 278 2HB ASP 43 2HB ASP 43 -13.884 6.568 -2.198 279 H GLY 44 H GLY 44 -16.113 2.896 -1.152 280 1HA GLY 44 1HA GLY 44 -13.521 1.650 -1.551 281 2HA GLY 44 2HA GLY 44 -15.033 0.829 -1.207 282 H LYS 45 H LYS 45 -14.445 3.116 -3.838 283 HA LYS 45 HA LYS 45 -15.035 0.956 -5.722 284 1HB LYS 45 1HB LYS 45 -14.873 3.932 -6.224 285 2HB LYS 45 2HB LYS 45 -15.428 2.714 -7.363 286 1HG LYS 45 1HG LYS 45 -16.755 3.506 -4.784 287 2HG LYS 45 2HG LYS 45 -17.307 3.870 -6.416 288 1HD LYS 45 1HD LYS 45 -17.105 1.142 -5.145 289 2HD LYS 45 2HD LYS 45 -18.587 2.027 -5.506 290 1HE LYS 45 1HE LYS 45 -17.974 1.948 -7.915 291 2HE LYS 45 2HE LYS 45 -16.597 0.930 -7.491 292 1HZ LYS 45 1HZ LYS 45 -18.288 -0.601 -6.438 293 2HZ LYS 45 2HZ LYS 45 -18.298 -0.528 -8.134 294 3HZ LYS 45 3HZ LYS 45 -19.478 0.302 -7.243 295 H VAL 46 H VAL 46 -12.596 3.315 -4.861 296 HA VAL 46 HA VAL 46 -10.825 2.191 -6.917 297 HB VAL 46 HB VAL 46 -10.342 4.759 -5.410 298 1HG1 VAL 46 1HG1 VAL 46 -9.322 3.729 -8.053 299 2HG1 VAL 46 2HG1 VAL 46 -8.417 3.775 -6.540 300 3HG1 VAL 46 3HG1 VAL 46 -8.912 5.278 -7.319 301 1HG2 VAL 46 1HG2 VAL 46 -11.776 4.407 -8.037 302 2HG2 VAL 46 2HG2 VAL 46 -11.272 5.949 -7.346 303 3HG2 VAL 46 3HG2 VAL 46 -12.489 4.971 -6.527 304 H ILE 47 H ILE 47 -9.110 1.051 -6.306 305 HA ILE 47 HA ILE 47 -8.945 0.368 -3.475 306 HB ILE 47 HB ILE 47 -7.304 -1.044 -5.527 307 1HG1 ILE 47 1HG1 ILE 47 -9.464 -0.748 -6.652 308 2HG1 ILE 47 2HG1 ILE 47 -9.196 -2.432 -6.217 309 1HG2 ILE 47 1HG2 ILE 47 -8.068 -3.029 -4.150 310 2HG2 ILE 47 2HG2 ILE 47 -8.845 -1.869 -3.069 311 3HG2 ILE 47 3HG2 ILE 47 -7.096 -1.830 -3.288 312 1HD1 ILE 47 1HD1 ILE 47 -11.495 -1.715 -5.823 313 2HD1 ILE 47 2HD1 ILE 47 -10.913 -0.495 -4.689 314 3HD1 ILE 47 3HD1 ILE 47 -10.689 -2.210 -4.333 315 H LYS 48 H LYS 48 -7.242 0.859 -2.225 316 HA LYS 48 HA LYS 48 -5.104 2.458 -3.359 317 1HB LYS 48 1HB LYS 48 -6.408 2.210 -0.749 318 2HB LYS 48 2HB LYS 48 -4.659 2.363 -0.646 319 1HG LYS 48 1HG LYS 48 -4.728 4.523 -1.134 320 2HG LYS 48 2HG LYS 48 -5.774 4.248 -2.524 321 1HD LYS 48 1HD LYS 48 -6.882 4.187 0.263 322 2HD LYS 48 2HD LYS 48 -6.649 5.716 -0.584 323 1HE LYS 48 1HE LYS 48 -8.892 5.082 -0.986 324 2HE LYS 48 2HE LYS 48 -8.013 4.737 -2.477 325 1HZ LYS 48 1HZ LYS 48 -9.436 2.908 -2.018 326 2HZ LYS 48 2HZ LYS 48 -8.906 2.782 -0.414 327 3HZ LYS 48 3HZ LYS 48 -7.859 2.396 -1.686 328 H ASP 49 H ASP 49 -2.950 2.165 -2.121 329 HA ASP 49 HA ASP 49 -2.189 -0.687 -2.175 330 1HB ASP 49 1HB ASP 49 -0.481 1.746 -2.743 331 2HB ASP 49 2HB ASP 49 0.049 0.080 -2.852 332 H SER 50 H SER 50 0.015 -0.918 -0.941 333 HA SER 50 HA SER 50 -0.421 -0.146 1.811 334 1HB SER 50 1HB SER 50 0.609 -2.334 1.025 335 2HB SER 50 2HB SER 50 2.069 -1.416 0.660 336 HG SER 50 HG SER 50 2.565 -1.476 2.692 337 H VAL 51 H VAL 51 0.787 1.340 -0.741 338 HA VAL 51 HA VAL 51 2.961 2.819 0.550 339 HB VAL 51 HB VAL 51 1.918 3.447 -2.179 340 1HG1 VAL 51 1HG1 VAL 51 3.612 4.886 -1.264 341 2HG1 VAL 51 2HG1 VAL 51 4.287 3.934 -2.591 342 3HG1 VAL 51 3HG1 VAL 51 4.645 3.500 -0.918 343 1HG2 VAL 51 1HG2 VAL 51 3.368 1.709 -3.090 344 2HG2 VAL 51 2HG2 VAL 51 2.070 1.045 -2.097 345 3HG2 VAL 51 3HG2 VAL 51 3.710 1.148 -1.452 346 H GLY 52 H GLY 52 -0.291 3.026 0.288 347 1HA GLY 52 1HA GLY 52 -1.644 4.654 1.327 348 2HA GLY 52 2HA GLY 52 -0.309 5.794 1.214 349 H ASN 53 H ASN 53 -0.311 4.477 -1.705 350 HA ASN 53 HA ASN 53 -1.880 6.668 -2.799 351 1HB ASN 53 1HB ASN 53 -0.910 5.431 -5.008 352 2HB ASN 53 2HB ASN 53 -0.074 6.714 -4.146 353 1HD2 ASN 53 1HD2 ASN 53 -0.364 3.188 -4.396 354 2HD2 ASN 53 2HD2 ASN 53 1.281 2.877 -3.936 355 H VAL 54 H VAL 54 -3.042 6.217 -4.731 356 HA VAL 54 HA VAL 54 -4.575 3.714 -4.492 357 HB VAL 54 HB VAL 54 -5.813 5.763 -3.630 358 1HG1 VAL 54 1HG1 VAL 54 -6.177 6.229 -6.561 359 2HG1 VAL 54 2HG1 VAL 54 -5.356 7.295 -5.418 360 3HG1 VAL 54 3HG1 VAL 54 -7.090 7.001 -5.267 361 1HG2 VAL 54 1HG2 VAL 54 -6.866 3.630 -3.970 362 2HG2 VAL 54 2HG2 VAL 54 -7.083 3.982 -5.684 363 3HG2 VAL 54 3HG2 VAL 54 -7.949 4.929 -4.474 364 H LEU 55 H LEU 55 -5.523 2.846 -6.382 365 HA LEU 55 HA LEU 55 -3.674 3.208 -8.595 366 1HB LEU 55 1HB LEU 55 -5.596 0.960 -7.972 367 2HB LEU 55 2HB LEU 55 -4.332 0.940 -9.190 368 HG LEU 55 HG LEU 55 -3.390 1.504 -6.487 369 1HD1 LEU 55 1HD1 LEU 55 -4.365 -1.262 -7.098 370 2HD1 LEU 55 2HD1 LEU 55 -5.162 -0.134 -5.999 371 3HD1 LEU 55 3HD1 LEU 55 -3.535 -0.715 -5.635 372 1HD2 LEU 55 1HD2 LEU 55 -2.544 -0.478 -8.553 373 2HD2 LEU 55 2HD2 LEU 55 -1.633 -0.003 -7.116 374 3HD2 LEU 55 3HD2 LEU 55 -1.928 1.166 -8.406 375 H GLN 56 H GLN 56 -4.687 2.441 -10.735 376 HA GLN 56 HA GLN 56 -7.410 3.500 -11.097 377 1HB GLN 56 1HB GLN 56 -5.719 5.049 -12.034 378 2HB GLN 56 2HB GLN 56 -5.061 3.737 -12.999 379 1HG GLN 56 1HG GLN 56 -7.382 3.566 -14.037 380 2HG GLN 56 2HG GLN 56 -7.694 5.134 -13.290 381 1HE2 GLN 56 1HE2 GLN 56 -4.578 4.144 -14.458 382 2HE2 GLN 56 2HE2 GLN 56 -4.493 5.256 -15.787 383 H ASP 57 H ASP 57 -8.693 2.295 -12.631 384 HA ASP 57 HA ASP 57 -8.034 -0.458 -12.788 385 1HB ASP 57 1HB ASP 57 -10.358 0.372 -12.643 386 2HB ASP 57 2HB ASP 57 -10.188 1.110 -14.231 387 H GLY 58 H GLY 58 -6.281 -0.914 -13.957 388 1HA GLY 58 1HA GLY 58 -5.780 -1.580 -16.310 389 2HA GLY 58 2HA GLY 58 -6.187 0.077 -16.736 390 H ASP 59 H ASP 59 -4.813 0.500 -13.902 391 HA ASP 59 HA ASP 59 -2.334 1.409 -14.981 392 1HB ASP 59 1HB ASP 59 -3.782 2.156 -12.842 393 2HB ASP 59 2HB ASP 59 -2.630 1.097 -12.044 394 H THR 60 H THR 60 -0.294 0.880 -13.597 395 HA THR 60 HA THR 60 0.007 -2.041 -13.651 396 HB THR 60 HB THR 60 2.141 0.101 -13.730 397 HG1 THR 60 HG1 THR 60 2.015 0.005 -15.871 398 1HG2 THR 60 1HG2 THR 60 2.943 -2.027 -12.831 399 2HG2 THR 60 2HG2 THR 60 3.622 -1.723 -14.430 400 3HG2 THR 60 3HG2 THR 60 2.298 -2.872 -14.238 401 H ILE 61 H ILE 61 0.687 -3.135 -11.812 402 HA ILE 61 HA ILE 61 1.150 -1.445 -9.447 403 HB ILE 61 HB ILE 61 -0.087 -2.869 -8.041 404 1HG1 ILE 61 1HG1 ILE 61 -1.279 -4.925 -9.314 405 2HG1 ILE 61 2HG1 ILE 61 0.228 -4.863 -10.222 406 1HG2 ILE 61 1HG2 ILE 61 -1.698 -2.798 -10.576 407 2HG2 ILE 61 2HG2 ILE 61 -1.394 -1.393 -9.561 408 3HG2 ILE 61 3HG2 ILE 61 -2.296 -2.766 -8.916 409 1HD1 ILE 61 1HD1 ILE 61 0.387 -6.443 -8.400 410 2HD1 ILE 61 2HD1 ILE 61 -0.038 -5.181 -7.243 411 3HD1 ILE 61 3HD1 ILE 61 1.481 -5.083 -8.134 412 H THR 62 H THR 62 2.424 -2.525 -7.742 413 HA THR 62 HA THR 62 3.932 -4.866 -8.559 414 HB THR 62 HB THR 62 5.044 -2.125 -8.102 415 HG1 THR 62 HG1 THR 62 4.706 -3.568 -10.188 416 1HG2 THR 62 1HG2 THR 62 7.289 -3.094 -7.800 417 2HG2 THR 62 2HG2 THR 62 6.566 -4.700 -7.688 418 3HG2 THR 62 3HG2 THR 62 6.209 -3.480 -6.462 419 H VAL 63 H VAL 63 3.740 -6.213 -6.909 420 HA VAL 63 HA VAL 63 2.984 -5.528 -4.290 421 HB VAL 63 HB VAL 63 2.986 -7.843 -5.609 422 1HG1 VAL 63 1HG1 VAL 63 5.345 -8.128 -5.782 423 2HG1 VAL 63 2HG1 VAL 63 4.695 -9.367 -4.706 424 3HG1 VAL 63 3HG1 VAL 63 5.534 -7.965 -4.036 425 1HG2 VAL 63 1HG2 VAL 63 3.373 -7.645 -2.626 426 2HG2 VAL 63 2HG2 VAL 63 2.653 -9.009 -3.482 427 3HG2 VAL 63 3HG2 VAL 63 1.848 -7.439 -3.490 428 H ILE 64 H ILE 64 4.194 -4.696 -2.679 429 HA ILE 64 HA ILE 64 7.062 -4.698 -3.048 430 HB ILE 64 HB ILE 64 7.178 -2.916 -1.446 431 1HG1 ILE 64 1HG1 ILE 64 5.149 -3.922 -0.102 432 2HG1 ILE 64 2HG1 ILE 64 5.482 -2.199 -0.047 433 1HG2 ILE 64 1HG2 ILE 64 6.608 -2.349 -3.735 434 2HG2 ILE 64 2HG2 ILE 64 5.836 -1.233 -2.605 435 3HG2 ILE 64 3HG2 ILE 64 4.892 -2.519 -3.360 436 1HD1 ILE 64 1HD1 ILE 64 3.347 -3.620 -1.599 437 2HD1 ILE 64 2HD1 ILE 64 3.755 -1.921 -1.836 438 3HD1 ILE 64 3HD1 ILE 64 3.155 -2.477 -0.274 439 H LYS 65 H LYS 65 5.460 -7.129 -1.814 440 HA LYS 65 HA LYS 65 7.263 -7.419 0.418 441 1HB LYS 65 1HB LYS 65 4.315 -7.237 0.631 442 2HB LYS 65 2HB LYS 65 5.032 -8.623 1.434 443 1HG LYS 65 1HG LYS 65 4.895 -6.991 3.091 444 2HG LYS 65 2HG LYS 65 6.580 -6.948 2.579 445 1HD LYS 65 1HD LYS 65 5.882 -4.697 2.783 446 2HD LYS 65 2HD LYS 65 5.945 -5.043 1.055 447 1HE LYS 65 1HE LYS 65 3.933 -3.924 1.260 448 2HE LYS 65 2HE LYS 65 3.432 -5.611 1.330 449 1HZ LYS 65 1HZ LYS 65 2.321 -4.341 3.025 450 2HZ LYS 65 2HZ LYS 65 3.797 -3.776 3.646 451 3HZ LYS 65 3HZ LYS 65 3.398 -5.420 3.764 452 H ASP 66 H ASP 66 7.452 -9.701 0.993 453 HA ASP 66 HA ASP 66 7.084 -11.469 -1.230 454 1HB ASP 66 1HB ASP 66 8.476 -12.981 -0.179 455 2HB ASP 66 2HB ASP 66 9.010 -11.467 0.535 456 H LEU 67 H LEU 67 5.374 -12.446 -1.759 457 HA LEU 67 HA LEU 67 3.777 -13.896 0.243 458 1HB LEU 67 1HB LEU 67 2.507 -12.760 -2.230 459 2HB LEU 67 2HB LEU 67 1.737 -13.322 -0.768 460 HG LEU 67 HG LEU 67 3.289 -10.750 -1.046 461 1HD1 LEU 67 1HD1 LEU 67 1.194 -10.708 -2.275 462 2HD1 LEU 67 2HD1 LEU 67 1.094 -9.689 -0.840 463 3HD1 LEU 67 3HD1 LEU 67 0.328 -11.278 -0.848 464 1HD2 LEU 67 1HD2 LEU 67 1.730 -11.914 1.254 465 2HD2 LEU 67 2HD2 LEU 67 2.307 -10.248 1.171 466 3HD2 LEU 67 3HD2 LEU 67 3.464 -11.582 1.195 467 H LYS 68 H LYS 68 3.356 -16.023 -0.421 468 HA LYS 68 HA LYS 68 4.338 -16.801 -3.042 469 1HB LYS 68 1HB LYS 68 4.057 -19.081 -2.371 470 2HB LYS 68 2HB LYS 68 4.840 -18.202 -1.067 471 1HG LYS 68 1HG LYS 68 2.987 -18.312 0.308 472 2HG LYS 68 2HG LYS 68 1.877 -18.575 -1.040 473 1HD LYS 68 1HD LYS 68 2.240 -20.608 0.320 474 2HD LYS 68 2HD LYS 68 2.727 -20.809 -1.364 475 1HE LYS 68 1HE LYS 68 5.072 -20.230 -0.613 476 2HE LYS 68 2HE LYS 68 4.484 -20.401 1.042 477 1HZ LYS 68 1HZ LYS 68 3.764 -22.684 0.427 478 2HZ LYS 68 2HZ LYS 68 5.445 -22.452 0.378 479 3HZ LYS 68 3HZ LYS 68 4.553 -22.485 -1.062 480 H VAL 69 H VAL 69 2.836 -18.754 -4.021 481 HA VAL 69 HA VAL 69 0.116 -17.669 -4.269 482 HB VAL 69 HB VAL 69 1.717 -18.714 -6.631 483 1HG1 VAL 69 1HG1 VAL 69 -0.156 -17.863 -7.958 484 2HG1 VAL 69 2HG1 VAL 69 -0.985 -17.379 -6.479 485 3HG1 VAL 69 3HG1 VAL 69 -0.680 -19.086 -6.800 486 1HG2 VAL 69 1HG2 VAL 69 2.623 -16.561 -5.915 487 2HG2 VAL 69 2HG2 VAL 69 1.008 -15.855 -5.967 488 3HG2 VAL 69 3HG2 VAL 69 1.774 -16.414 -7.454 489 H LYS 70 H LYS 70 -1.440 -19.264 -4.177 490 HA LYS 70 HA LYS 70 -0.399 -21.936 -3.650 491 1HB LYS 70 1HB LYS 70 -1.921 -20.892 -2.003 492 2HB LYS 70 2HB LYS 70 -3.176 -20.809 -3.235 493 1HG LYS 70 1HG LYS 70 -3.545 -22.704 -1.779 494 2HG LYS 70 2HG LYS 70 -3.154 -23.252 -3.411 495 1HD LYS 70 1HD LYS 70 -0.726 -23.357 -2.549 496 2HD LYS 70 2HD LYS 70 -1.456 -23.307 -0.944 497 1HE LYS 70 1HE LYS 70 -1.946 -25.365 -3.094 498 2HE LYS 70 2HE LYS 70 -1.078 -25.604 -1.579 499 1HZ LYS 70 1HZ LYS 70 -3.157 -25.132 -0.391 500 2HZ LYS 70 2HZ LYS 70 -3.286 -26.486 -1.406 501 3HZ LYS 70 3HZ LYS 70 -3.974 -25.010 -1.875 502 H GLY 71 H GLY 71 -0.642 -23.587 -5.006 503 1HA GLY 71 1HA GLY 71 -1.880 -24.941 -6.505 504 2HA GLY 71 2HA GLY 71 -2.824 -23.532 -6.965 505 H SER 72 H SER 72 -0.330 -21.945 -7.212 506 HA SER 72 HA SER 72 0.507 -22.978 -9.834 507 1HB SER 72 1HB SER 72 0.049 -20.164 -8.851 508 2HB SER 72 2HB SER 72 0.942 -20.507 -10.328 509 HG SER 72 HG SER 72 -0.969 -21.696 -11.019 510 H SER 73 H SER 73 2.691 -22.526 -10.492 511 HA SER 73 HA SER 73 4.559 -22.624 -8.275 512 1HB SER 73 1HB SER 73 5.078 -22.731 -11.259 513 2HB SER 73 2HB SER 73 6.233 -23.125 -9.984 514 HG SER 73 HG SER 73 4.207 -24.619 -9.436 515 H LEU 74 H LEU 74 2.978 -20.194 -9.216 516 HA LEU 74 HA LEU 74 4.997 -18.273 -9.900 517 1HB LEU 74 1HB LEU 74 2.084 -18.132 -9.207 518 2HB LEU 74 2HB LEU 74 3.054 -16.678 -9.238 519 HG LEU 74 HG LEU 74 1.880 -16.902 -11.328 520 1HD1 LEU 74 1HD1 LEU 74 3.747 -16.839 -12.899 521 2HD1 LEU 74 2HD1 LEU 74 4.804 -17.532 -11.669 522 3HD1 LEU 74 3HD1 LEU 74 4.102 -15.933 -11.429 523 1HD2 LEU 74 1HD2 LEU 74 2.258 -18.781 -12.843 524 2HD2 LEU 74 2HD2 LEU 74 1.522 -19.309 -11.329 525 3HD2 LEU 74 3HD2 LEU 74 3.243 -19.575 -11.613 526 H VAL 75 H VAL 75 4.758 -16.170 -8.246 527 HA VAL 75 HA VAL 75 5.155 -16.818 -5.596 528 HB VAL 75 HB VAL 75 7.696 -16.552 -7.221 529 1HG1 VAL 75 1HG1 VAL 75 7.336 -16.414 -4.227 530 2HG1 VAL 75 2HG1 VAL 75 7.788 -15.071 -5.280 531 3HG1 VAL 75 3HG1 VAL 75 8.883 -16.438 -5.076 532 1HG2 VAL 75 1HG2 VAL 75 8.353 -18.617 -6.039 533 2HG2 VAL 75 2HG2 VAL 75 6.905 -18.840 -7.023 534 3HG2 VAL 75 3HG2 VAL 75 6.761 -18.662 -5.272 535 H VAL 76 H VAL 76 4.635 -14.925 -4.695 536 HA VAL 76 HA VAL 76 4.731 -12.563 -6.405 537 HB VAL 76 HB VAL 76 3.280 -13.034 -3.794 538 1HG1 VAL 76 1HG1 VAL 76 2.139 -10.930 -4.262 539 2HG1 VAL 76 2HG1 VAL 76 3.180 -10.687 -5.667 540 3HG1 VAL 76 3HG1 VAL 76 3.875 -10.702 -4.046 541 1HG2 VAL 76 1HG2 VAL 76 1.263 -13.019 -5.178 542 2HG2 VAL 76 2HG2 VAL 76 2.360 -14.320 -5.642 543 3HG2 VAL 76 3HG2 VAL 76 2.261 -12.858 -6.622 544 H LYS 77 H LYS 77 6.713 -11.842 -6.293 545 HA LYS 77 HA LYS 77 7.902 -11.356 -3.651 546 1HB LYS 77 1HB LYS 77 10.111 -11.269 -4.887 547 2HB LYS 77 2HB LYS 77 9.336 -12.836 -4.755 548 1HG LYS 77 1HG LYS 77 10.093 -12.807 -6.932 549 2HG LYS 77 2HG LYS 77 8.405 -12.329 -7.102 550 1HD LYS 77 1HD LYS 77 8.959 -10.091 -7.497 551 2HD LYS 77 2HD LYS 77 10.582 -10.288 -6.835 552 1HE LYS 77 1HE LYS 77 11.097 -11.810 -8.745 553 2HE LYS 77 2HE LYS 77 9.521 -11.411 -9.426 554 1HZ LYS 77 1HZ LYS 77 11.616 -10.127 -10.184 555 2HZ LYS 77 2HZ LYS 77 11.398 -9.247 -8.750 556 3HZ LYS 77 3HZ LYS 77 10.175 -9.279 -9.921 557 H VAL 78 H VAL 78 8.886 -9.467 -3.165 558 HA VAL 78 HA VAL 78 7.633 -7.121 -3.853 559 HB VAL 78 HB VAL 78 8.968 -7.121 -1.894 560 1HG1 VAL 78 1HG1 VAL 78 11.377 -7.622 -3.638 561 2HG1 VAL 78 2HG1 VAL 78 10.631 -8.772 -2.529 562 3HG1 VAL 78 3HG1 VAL 78 11.415 -7.321 -1.901 563 1HG2 VAL 78 1HG2 VAL 78 8.824 -4.946 -2.960 564 2HG2 VAL 78 2HG2 VAL 78 10.267 -5.291 -3.911 565 3HG2 VAL 78 3HG2 VAL 78 10.384 -5.128 -2.159 566 H GLY 79 H GLY 79 7.311 -6.784 -5.988 567 1HA GLY 79 1HA GLY 79 8.434 -5.150 -7.635 568 2HA GLY 79 2HA GLY 79 9.658 -6.412 -7.732 569 H THR 80 H THR 80 6.857 -7.893 -7.183 570 HA THR 80 HA THR 80 6.590 -9.055 -9.747 571 HB THR 80 HB THR 80 4.548 -9.013 -7.520 572 HG1 THR 80 HG1 THR 80 6.316 -11.074 -8.424 573 1HG2 THR 80 1HG2 THR 80 3.473 -10.882 -8.704 574 2HG2 THR 80 2HG2 THR 80 4.597 -10.670 -10.048 575 3HG2 THR 80 3HG2 THR 80 3.436 -9.401 -9.662 576 H LYS 81 H LYS 81 6.184 -7.921 -11.435 577 HA LYS 81 HA LYS 81 4.470 -5.570 -11.210 578 1HB LYS 81 1HB LYS 81 6.689 -5.422 -12.359 579 2HB LYS 81 2HB LYS 81 6.015 -6.398 -13.661 580 1HG LYS 81 1HG LYS 81 4.340 -4.123 -12.958 581 2HG LYS 81 2HG LYS 81 5.949 -3.659 -13.496 582 1HD LYS 81 1HD LYS 81 4.274 -5.620 -15.031 583 2HD LYS 81 2HD LYS 81 4.120 -3.878 -15.268 584 1HE LYS 81 1HE LYS 81 6.685 -5.434 -15.536 585 2HE LYS 81 2HE LYS 81 5.653 -4.958 -16.885 586 1HZ LYS 81 1HZ LYS 81 7.456 -3.401 -16.629 587 2HZ LYS 81 2HZ LYS 81 7.052 -3.122 -15.007 588 3HZ LYS 81 3HZ LYS 81 5.996 -2.628 -16.239 589 H VAL 82 H VAL 82 2.425 -5.655 -11.592 590 HA VAL 82 HA VAL 82 1.417 -7.388 -13.727 591 HB VAL 82 HB VAL 82 0.132 -7.057 -11.005 592 1HG1 VAL 82 1HG1 VAL 82 -1.553 -7.174 -12.705 593 2HG1 VAL 82 2HG1 VAL 82 -1.484 -8.731 -11.875 594 3HG1 VAL 82 3HG1 VAL 82 -0.751 -8.548 -13.467 595 1HG2 VAL 82 1HG2 VAL 82 0.516 -9.469 -10.757 596 2HG2 VAL 82 2HG2 VAL 82 2.029 -8.576 -10.915 597 3HG2 VAL 82 3HG2 VAL 82 1.390 -9.478 -12.289 598 H LYS 83 H LYS 83 0.575 -6.062 -15.162 599 HA LYS 83 HA LYS 83 -0.561 -3.540 -14.237 600 1HB LYS 83 1HB LYS 83 -0.165 -2.714 -16.531 601 2HB LYS 83 2HB LYS 83 1.301 -3.208 -15.699 602 1HG LYS 83 1HG LYS 83 1.294 -5.314 -16.942 603 2HG LYS 83 2HG LYS 83 -0.175 -4.805 -17.782 604 1HD LYS 83 1HD LYS 83 1.015 -2.865 -18.678 605 2HD LYS 83 2HD LYS 83 2.484 -3.383 -17.850 606 1HE LYS 83 1HE LYS 83 2.502 -5.438 -19.167 607 2HE LYS 83 2HE LYS 83 1.023 -4.931 -19.983 608 1HZ LYS 83 1HZ LYS 83 2.818 -4.389 -21.398 609 2HZ LYS 83 2HZ LYS 83 3.699 -3.667 -20.140 610 3HZ LYS 83 3HZ LYS 83 2.289 -2.925 -20.724 611 H ASN 84 H ASN 84 -2.241 -2.606 -15.477 612 HA ASN 84 HA ASN 84 -4.303 -2.526 -16.430 613 1HB ASN 84 1HB ASN 84 -3.465 -5.221 -17.470 614 2HB ASN 84 2HB ASN 84 -5.078 -4.585 -17.764 615 1HD2 ASN 84 1HD2 ASN 84 -1.741 -4.406 -18.562 616 2HD2 ASN 84 2HD2 ASN 84 -1.897 -3.286 -19.872 617 H ILE 85 H ILE 85 -4.062 -3.211 -13.630 618 HA ILE 85 HA ILE 85 -5.593 -5.425 -12.926 619 HB ILE 85 HB ILE 85 -5.761 -4.307 -10.758 620 1HG1 ILE 85 1HG1 ILE 85 -4.368 -1.932 -12.018 621 2HG1 ILE 85 2HG1 ILE 85 -6.114 -1.989 -11.801 622 1HG2 ILE 85 1HG2 ILE 85 -3.700 -5.465 -11.339 623 2HG2 ILE 85 2HG2 ILE 85 -3.361 -4.060 -10.327 624 3HG2 ILE 85 3HG2 ILE 85 -3.059 -3.989 -12.064 625 1HD1 ILE 85 1HD1 ILE 85 -5.052 -0.721 -10.012 626 2HD1 ILE 85 2HD1 ILE 85 -4.047 -2.113 -9.604 627 3HD1 ILE 85 3HD1 ILE 85 -5.794 -2.193 -9.378 628 H ARG 86 H ARG 86 -7.530 -5.078 -11.542 629 HA ARG 86 HA ARG 86 -9.507 -3.268 -12.757 630 1HB ARG 86 1HB ARG 86 -10.227 -5.352 -13.560 631 2HB ARG 86 2HB ARG 86 -9.677 -6.203 -12.124 632 1HG ARG 86 1HG ARG 86 -12.009 -6.251 -11.998 633 2HG ARG 86 2HG ARG 86 -11.526 -4.979 -10.877 634 1HD ARG 86 1HD ARG 86 -13.282 -4.003 -12.013 635 2HD ARG 86 2HD ARG 86 -11.878 -3.404 -12.898 636 HE ARG 86 HE ARG 86 -13.275 -5.796 -13.860 637 1HH1 ARG 86 1HH1 ARG 86 -12.223 -2.494 -14.347 638 2HH1 ARG 86 2HH1 ARG 86 -12.869 -2.396 -15.959 639 1HH2 ARG 86 1HH2 ARG 86 -14.067 -5.696 -15.996 640 2HH2 ARG 86 2HH2 ARG 86 -13.890 -4.231 -16.916 641 H LEU 87 H LEU 87 -10.394 -1.913 -11.200 642 HA LEU 87 HA LEU 87 -9.780 -2.431 -8.440 643 1HB LEU 87 1HB LEU 87 -11.540 -0.283 -9.634 644 2HB LEU 87 2HB LEU 87 -10.803 -0.281 -8.042 645 HG LEU 87 HG LEU 87 -9.265 -0.145 -10.637 646 1HD1 LEU 87 1HD1 LEU 87 -8.895 2.203 -10.088 647 2HD1 LEU 87 2HD1 LEU 87 -9.960 2.044 -8.690 648 3HD1 LEU 87 3HD1 LEU 87 -10.609 1.856 -10.319 649 1HD2 LEU 87 1HD2 LEU 87 -8.382 0.247 -7.783 650 2HD2 LEU 87 2HD2 LEU 87 -7.380 0.482 -9.215 651 3HD2 LEU 87 3HD2 LEU 87 -7.984 -1.126 -8.815 652 H VAL 88 H VAL 88 -11.044 -3.677 -7.193 653 HA VAL 88 HA VAL 88 -13.624 -4.512 -8.245 654 HB VAL 88 HB VAL 88 -12.709 -5.453 -5.575 655 1HG1 VAL 88 1HG1 VAL 88 -13.590 -7.577 -6.379 656 2HG1 VAL 88 2HG1 VAL 88 -13.864 -6.869 -7.971 657 3HG1 VAL 88 3HG1 VAL 88 -14.775 -6.285 -6.576 658 1HG2 VAL 88 1HG2 VAL 88 -11.321 -6.185 -8.144 659 2HG2 VAL 88 2HG2 VAL 88 -11.245 -7.160 -6.676 660 3HG2 VAL 88 3HG2 VAL 88 -10.604 -5.516 -6.672 661 H ASP 89 H ASP 89 -15.344 -4.815 -6.334 662 HA ASP 89 HA ASP 89 -15.752 -2.127 -5.306 663 1HB ASP 89 1HB ASP 89 -17.554 -3.372 -6.453 664 2HB ASP 89 2HB ASP 89 -17.582 -4.485 -5.099 665 H GLY 90 H GLY 90 -14.208 -2.130 -3.826 666 1HA GLY 90 1HA GLY 90 -14.734 -2.439 -1.194 667 2HA GLY 90 2HA GLY 90 -14.070 -4.006 -1.650 668 H ASP 91 H ASP 91 -12.968 -1.785 0.083 669 HA ASP 91 HA ASP 91 -10.969 -0.441 -1.481 670 1HB ASP 91 1HB ASP 91 -12.142 0.278 0.762 671 2HB ASP 91 2HB ASP 91 -10.814 -0.607 1.506 672 H HIS 92 H HIS 92 -11.152 -3.441 0.105 673 HA HIS 92 HA HIS 92 -8.236 -3.796 0.009 674 1HB HIS 92 1HB HIS 92 -8.613 -5.781 1.485 675 2HB HIS 92 2HB HIS 92 -9.065 -4.250 2.217 676 HD1 HIS 92 HD1 HIS 92 -11.419 -4.031 3.068 677 HD2 HIS 92 HD2 HIS 92 -10.871 -7.412 0.706 678 HE1 HIS 92 HE1 HIS 92 -13.514 -5.397 3.333 679 HE2 HIS 92 HE2 HIS 92 -13.249 -7.288 1.695 680 H ASP 93 H ASP 93 -8.892 -3.924 -2.438 681 HA ASP 93 HA ASP 93 -9.534 -6.597 -3.200 682 1HB ASP 93 1HB ASP 93 -11.609 -4.464 -3.513 683 2HB ASP 93 2HB ASP 93 -11.576 -5.872 -4.567 684 H ILE 94 H ILE 94 -7.656 -6.545 -4.422 685 HA ILE 94 HA ILE 94 -7.883 -4.859 -6.834 686 HB ILE 94 HB ILE 94 -5.405 -6.129 -5.686 687 1HG1 ILE 94 1HG1 ILE 94 -5.767 -3.189 -5.857 688 2HG1 ILE 94 2HG1 ILE 94 -6.685 -4.034 -4.613 689 1HG2 ILE 94 1HG2 ILE 94 -5.315 -5.905 -8.112 690 2HG2 ILE 94 2HG2 ILE 94 -4.215 -4.763 -7.340 691 3HG2 ILE 94 3HG2 ILE 94 -5.758 -4.202 -7.983 692 1HD1 ILE 94 1HD1 ILE 94 -3.720 -4.212 -4.980 693 2HD1 ILE 94 2HD1 ILE 94 -4.673 -4.921 -3.675 694 3HD1 ILE 94 3HD1 ILE 94 -4.542 -3.167 -3.821 695 H ASP 95 H ASP 95 -8.674 -5.954 -8.466 696 HA ASP 95 HA ASP 95 -7.995 -8.768 -8.735 697 1HB ASP 95 1HB ASP 95 -10.355 -7.857 -9.044 698 2HB ASP 95 2HB ASP 95 -9.782 -7.108 -10.527 699 H CYS 96 H CYS 96 -6.635 -9.500 -10.324 700 HA CYS 96 HA CYS 96 -5.519 -7.439 -12.078 701 1HB CYS 96 1HB CYS 96 -3.242 -8.337 -11.696 702 2HB CYS 96 2HB CYS 96 -3.948 -7.596 -10.266 703 HG CYS 96 HG CYS 96 -4.726 -10.186 -9.243 704 H LYS 97 H LYS 97 -5.090 -8.032 -14.075 705 HA LYS 97 HA LYS 97 -5.843 -10.758 -14.836 706 1HB LYS 97 1HB LYS 97 -7.217 -9.039 -15.847 707 2HB LYS 97 2HB LYS 97 -5.799 -8.154 -16.379 708 1HG LYS 97 1HG LYS 97 -5.969 -10.897 -17.394 709 2HG LYS 97 2HG LYS 97 -7.266 -9.823 -17.927 710 1HD LYS 97 1HD LYS 97 -5.485 -8.161 -18.556 711 2HD LYS 97 2HD LYS 97 -4.296 -9.426 -18.246 712 1HE LYS 97 1HE LYS 97 -5.308 -10.823 -19.953 713 2HE LYS 97 2HE LYS 97 -6.561 -9.612 -20.225 714 1HZ LYS 97 1HZ LYS 97 -4.840 -8.054 -20.923 715 2HZ LYS 97 2HZ LYS 97 -4.834 -9.448 -21.891 716 3HZ LYS 97 3HZ LYS 97 -3.649 -9.247 -20.695 717 H ILE 98 H ILE 98 -4.185 -12.081 -15.236 718 HA ILE 98 HA ILE 98 -1.610 -10.812 -15.905 719 HB ILE 98 HB ILE 98 -1.995 -13.350 -14.318 720 1HG1 ILE 98 1HG1 ILE 98 -1.029 -10.702 -13.251 721 2HG1 ILE 98 2HG1 ILE 98 -2.738 -11.126 -13.249 722 1HG2 ILE 98 1HG2 ILE 98 0.394 -13.148 -13.868 723 2HG2 ILE 98 2HG2 ILE 98 0.465 -11.682 -14.846 724 3HG2 ILE 98 3HG2 ILE 98 0.094 -13.230 -15.605 725 1HD1 ILE 98 1HD1 ILE 98 -0.537 -12.642 -11.874 726 2HD1 ILE 98 2HD1 ILE 98 -2.247 -13.077 -11.881 727 3HD1 ILE 98 3HD1 ILE 98 -1.722 -11.583 -11.105 728 H ASP 99 H ASP 99 -1.227 -11.182 -17.969 729 HA ASP 99 HA ASP 99 -2.241 -13.413 -19.410 730 1HB ASP 99 1HB ASP 99 -0.158 -11.334 -20.066 731 2HB ASP 99 2HB ASP 99 -0.613 -12.611 -21.192 732 H GLY 100 H GLY 100 -1.610 -15.358 -18.780 733 1HA GLY 100 1HA GLY 100 0.620 -16.673 -19.363 734 2HA GLY 100 2HA GLY 100 1.122 -15.828 -17.906 735 H ILE 101 H ILE 101 -1.310 -15.915 -16.525 736 HA ILE 101 HA ILE 101 -1.795 -18.797 -16.200 737 HB ILE 101 HB ILE 101 -1.988 -18.409 -13.730 738 1HG1 ILE 101 1HG1 ILE 101 -0.557 -15.820 -14.378 739 2HG1 ILE 101 2HG1 ILE 101 -2.223 -15.945 -13.823 740 1HG2 ILE 101 1HG2 ILE 101 0.423 -18.498 -13.322 741 2HG2 ILE 101 2HG2 ILE 101 0.718 -17.936 -14.968 742 3HG2 ILE 101 3HG2 ILE 101 -0.048 -19.501 -14.693 743 1HD1 ILE 101 1HD1 ILE 101 -0.732 -15.315 -12.015 744 2HD1 ILE 101 2HD1 ILE 101 0.221 -16.776 -12.276 745 3HD1 ILE 101 3HD1 ILE 101 -1.446 -16.900 -11.715 746 H GLY 102 H GLY 102 -2.957 -15.508 -15.702 747 1HA GLY 102 1HA GLY 102 -5.382 -15.381 -16.572 748 2HA GLY 102 2HA GLY 102 -5.676 -16.541 -15.281 749 H ALA 103 H ALA 103 -7.034 -15.153 -14.128 750 HA ALA 103 HA ALA 103 -5.960 -12.585 -13.273 751 1HB ALA 103 1HB ALA 103 -8.297 -12.700 -14.010 752 2HB ALA 103 2HB ALA 103 -8.167 -12.184 -12.329 753 3HB ALA 103 3HB ALA 103 -8.648 -13.838 -12.708 754 H MET 104 H MET 104 -5.634 -12.019 -11.119 755 HA MET 104 HA MET 104 -5.754 -14.177 -9.128 756 1HB MET 104 1HB MET 104 -3.444 -14.074 -9.979 757 2HB MET 104 2HB MET 104 -3.371 -12.362 -9.589 758 1HG MET 104 1HG MET 104 -3.650 -12.913 -7.211 759 2HG MET 104 2HG MET 104 -3.665 -14.626 -7.625 760 1HE MET 104 1HE MET 104 -0.027 -15.132 -9.008 761 2HE MET 104 2HE MET 104 -1.470 -14.727 -9.939 762 3HE MET 104 3HE MET 104 -1.564 -15.914 -8.637 763 H LYS 105 H LYS 105 -5.825 -13.406 -6.920 764 HA LYS 105 HA LYS 105 -6.876 -10.686 -6.697 765 1HB LYS 105 1HB LYS 105 -7.473 -11.596 -4.312 766 2HB LYS 105 2HB LYS 105 -8.450 -12.036 -5.702 767 1HG LYS 105 1HG LYS 105 -8.162 -14.014 -4.480 768 2HG LYS 105 2HG LYS 105 -7.056 -14.144 -5.846 769 1HD LYS 105 1HD LYS 105 -5.201 -13.446 -4.399 770 2HD LYS 105 2HD LYS 105 -6.317 -13.331 -3.036 771 1HE LYS 105 1HE LYS 105 -6.817 -15.724 -3.261 772 2HE LYS 105 2HE LYS 105 -5.675 -15.830 -4.599 773 1HZ LYS 105 1HZ LYS 105 -4.934 -14.970 -1.856 774 2HZ LYS 105 2HZ LYS 105 -3.879 -15.306 -3.141 775 3HZ LYS 105 3HZ LYS 105 -4.771 -16.560 -2.426 776 H LEU 106 H LEU 106 -6.033 -9.182 -5.289 777 HA LEU 106 HA LEU 106 -3.459 -9.849 -4.045 778 1HB LEU 106 1HB LEU 106 -4.031 -7.413 -5.727 779 2HB LEU 106 2HB LEU 106 -2.556 -7.696 -4.825 780 HG LEU 106 HG LEU 106 -3.533 -9.360 -7.146 781 1HD1 LEU 106 1HD1 LEU 106 -2.816 -7.134 -7.810 782 2HD1 LEU 106 2HD1 LEU 106 -1.656 -8.353 -8.341 783 3HD1 LEU 106 3HD1 LEU 106 -1.300 -7.350 -6.933 784 1HD2 LEU 106 1HD2 LEU 106 -0.937 -9.479 -5.605 785 2HD2 LEU 106 2HD2 LEU 106 -1.353 -10.440 -7.025 786 3HD2 LEU 106 3HD2 LEU 106 -2.241 -10.663 -5.518 787 H LYS 107 H LYS 107 -3.117 -9.000 -2.149 788 HA LYS 107 HA LYS 107 -5.177 -7.452 -0.852 789 1HB LYS 107 1HB LYS 107 -2.500 -8.382 0.192 790 2HB LYS 107 2HB LYS 107 -3.702 -7.541 1.158 791 1HG LYS 107 1HG LYS 107 -5.281 -9.442 0.557 792 2HG LYS 107 2HG LYS 107 -3.848 -10.296 -0.020 793 1HD LYS 107 1HD LYS 107 -4.279 -10.964 2.252 794 2HD LYS 107 2HD LYS 107 -2.822 -9.968 2.227 795 1HE LYS 107 1HE LYS 107 -4.167 -8.022 2.908 796 2HE LYS 107 2HE LYS 107 -5.596 -9.049 2.981 797 1HZ LYS 107 1HZ LYS 107 -4.383 -10.395 4.677 798 2HZ LYS 107 2HZ LYS 107 -4.762 -8.818 5.170 799 3HZ LYS 107 3HZ LYS 107 -3.178 -9.199 4.699 800 H SER 108 H SER 108 -5.310 -5.381 -0.728 801 HA SER 108 HA SER 108 -3.776 -3.496 -1.974 802 1HB SER 108 1HB SER 108 -5.947 -2.941 -1.147 803 2HB SER 108 2HB SER 108 -5.488 -3.320 0.509 804 HG SER 108 HG SER 108 -4.561 -1.158 -1.085 805 H GLU 109 H GLU 109 -3.476 -4.700 1.317 806 HA GLU 109 HA GLU 109 -1.553 -2.879 2.212 807 1HB GLU 109 1HB GLU 109 -2.030 -5.697 3.171 808 2HB GLU 109 2HB GLU 109 -1.298 -4.382 4.085 809 1HG GLU 109 1HG GLU 109 -3.321 -3.227 4.237 810 2HG GLU 109 2HG GLU 109 -4.083 -4.222 3.004 811 H PHE 110 H PHE 110 -1.125 -5.470 -0.009 812 HA PHE 110 HA PHE 110 1.731 -5.436 0.650 813 1HB PHE 110 1HB PHE 110 -0.029 -7.458 -0.702 814 2HB PHE 110 2HB PHE 110 1.719 -7.573 -0.745 815 HD1 PHE 110 HD1 PHE 110 -0.947 -8.961 0.756 816 HD2 PHE 110 HD2 PHE 110 2.661 -6.994 1.838 817 HE1 PHE 110 HE1 PHE 110 -0.993 -10.094 2.937 818 HE2 PHE 110 HE2 PHE 110 2.629 -8.126 4.021 819 HZ PHE 110 HZ PHE 110 0.801 -9.680 4.573 820 H VAL 111 H VAL 111 -0.163 -3.777 -1.420 821 HA VAL 111 HA VAL 111 1.607 -4.313 -3.727 822 HB VAL 111 HB VAL 111 -0.182 -3.538 -5.200 823 1HG1 VAL 111 1HG1 VAL 111 -1.700 -5.446 -4.907 824 2HG1 VAL 111 2HG1 VAL 111 -1.026 -5.723 -3.301 825 3HG1 VAL 111 3HG1 VAL 111 -0.008 -5.913 -4.729 826 1HG2 VAL 111 1HG2 VAL 111 -1.892 -3.428 -2.725 827 2HG2 VAL 111 2HG2 VAL 111 -2.390 -3.077 -4.380 828 3HG2 VAL 111 3HG2 VAL 111 -1.243 -2.020 -3.563 829 H ARG 112 H ARG 112 1.691 -2.487 -5.325 830 HA ARG 112 HA ARG 112 1.599 0.191 -4.219 831 1HB ARG 112 1HB ARG 112 3.780 -0.346 -3.490 832 2HB ARG 112 2HB ARG 112 4.151 -1.220 -4.970 833 1HG ARG 112 1HG ARG 112 4.565 0.690 -6.164 834 2HG ARG 112 2HG ARG 112 3.563 1.697 -5.116 835 1HD ARG 112 1HD ARG 112 5.380 1.043 -3.326 836 2HD ARG 112 2HD ARG 112 6.361 0.762 -4.757 837 HE ARG 112 HE ARG 112 5.159 3.337 -4.005 838 1HH1 ARG 112 1HH1 ARG 112 7.544 1.497 -5.777 839 2HH1 ARG 112 2HH1 ARG 112 8.453 2.897 -6.262 840 1HH2 ARG 112 1HH2 ARG 112 6.350 5.172 -4.616 841 2HH2 ARG 112 2HH2 ARG 112 7.753 4.996 -5.622 842 H LYS 113 H LYS 113 0.985 1.591 -5.779 843 HA LYS 113 HA LYS 113 0.756 0.701 -8.484 844 1HB LYS 113 1HB LYS 113 -0.814 2.336 -7.349 845 2HB LYS 113 2HB LYS 113 0.453 3.545 -7.524 846 1HG LYS 113 1HG LYS 113 0.408 3.270 -9.943 847 2HG LYS 113 2HG LYS 113 -0.831 2.025 -9.789 848 1HD LYS 113 1HD LYS 113 -1.955 4.025 -10.374 849 2HD LYS 113 2HD LYS 113 -2.264 3.764 -8.655 850 1HE LYS 113 1HE LYS 113 -0.379 5.317 -8.158 851 2HE LYS 113 2HE LYS 113 -0.274 5.662 -9.885 852 1HZ LYS 113 1HZ LYS 113 -2.568 6.217 -8.085 853 2HZ LYS 113 2HZ LYS 113 -2.651 6.358 -9.770 854 3HZ LYS 113 3HZ LYS 113 -1.592 7.351 -8.891 855 H VAL 114 H VAL 114 2.233 0.756 -9.974 856 HA VAL 114 HA VAL 114 4.763 2.046 -9.624 857 HB VAL 114 HB VAL 114 3.663 0.817 -12.156 858 1HG1 VAL 114 1HG1 VAL 114 6.495 1.267 -11.219 859 2HG1 VAL 114 2HG1 VAL 114 5.659 2.169 -12.483 860 3HG1 VAL 114 3HG1 VAL 114 6.020 0.458 -12.713 861 1HG2 VAL 114 1HG2 VAL 114 3.480 -0.804 -10.371 862 2HG2 VAL 114 2HG2 VAL 114 5.156 -0.513 -9.901 863 3HG2 VAL 114 3HG2 VAL 114 4.792 -1.253 -11.461 864 H GLY 115 H GLY 115 1.875 2.604 -11.593 865 1HA GLY 115 1HA GLY 115 1.123 4.613 -12.491 866 2HA GLY 115 2HA GLY 115 2.617 5.379 -11.964 867 H SER 116 H SER 116 3.194 2.509 -13.612 868 HA SER 116 HA SER 116 3.183 3.640 -16.271 869 1HB SER 116 1HB SER 116 5.779 2.848 -14.923 870 2HB SER 116 2HB SER 116 5.604 3.241 -16.632 871 HG SER 116 HG SER 116 4.566 5.154 -14.969 Start of MODEL 15 1 H MET 1 H MET 1 -2.483 10.504 26.443 2 HA MET 1 HA MET 1 -2.437 9.518 24.238 3 1HB MET 1 1HB MET 1 -1.183 11.590 24.661 4 2HB MET 1 2HB MET 1 0.218 10.648 25.150 5 1HG MET 1 1HG MET 1 0.812 11.110 23.011 6 2HG MET 1 2HG MET 1 -0.075 9.610 22.742 7 1HE MET 1 1HE MET 1 -3.432 10.823 21.205 8 2HE MET 1 2HE MET 1 -3.097 10.319 22.861 9 3HE MET 1 3HE MET 1 -2.382 9.440 21.510 10 H VAL 2 H VAL 2 -2.200 7.619 23.305 11 HA VAL 2 HA VAL 2 -0.610 5.545 24.331 12 HB VAL 2 HB VAL 2 -2.609 5.168 22.949 13 1HG1 VAL 2 1HG1 VAL 2 -0.910 6.100 20.646 14 2HG1 VAL 2 2HG1 VAL 2 -2.321 6.924 21.305 15 3HG1 VAL 2 3HG1 VAL 2 -2.505 5.360 20.513 16 1HG2 VAL 2 1HG2 VAL 2 -1.728 3.307 21.622 17 2HG2 VAL 2 2HG2 VAL 2 -1.014 3.372 23.234 18 3HG2 VAL 2 3HG2 VAL 2 -0.096 3.939 21.838 19 H SER 3 H SER 3 1.460 5.042 24.084 20 HA SER 3 HA SER 3 3.079 6.748 22.354 21 1HB SER 3 1HB SER 3 3.936 4.803 24.507 22 2HB SER 3 2HB SER 3 4.979 5.950 23.666 23 HG SER 3 HG SER 3 2.690 6.928 24.948 24 H THR 4 H THR 4 1.867 5.317 20.655 25 HA THR 4 HA THR 4 3.514 2.957 20.068 26 HB THR 4 HB THR 4 1.651 2.475 18.393 27 HG1 THR 4 HG1 THR 4 -0.364 3.528 18.976 28 1HG2 THR 4 1HG2 THR 4 1.869 1.232 20.459 29 2HG2 THR 4 2HG2 THR 4 0.163 1.577 20.163 30 3HG2 THR 4 3HG2 THR 4 1.063 2.523 21.352 31 H LEU 5 H LEU 5 3.335 6.143 19.357 32 HA LEU 5 HA LEU 5 4.276 5.776 16.599 33 1HB LEU 5 1HB LEU 5 3.400 8.341 17.933 34 2HB LEU 5 2HB LEU 5 3.809 8.123 16.243 35 HG LEU 5 HG LEU 5 1.459 6.799 17.600 36 1HD1 LEU 5 1HD1 LEU 5 1.542 9.221 15.808 37 2HD1 LEU 5 2HD1 LEU 5 1.166 9.214 17.531 38 3HD1 LEU 5 3HD1 LEU 5 0.086 8.415 16.389 39 1HD2 LEU 5 1HD2 LEU 5 2.296 5.560 15.683 40 2HD2 LEU 5 2HD2 LEU 5 2.246 7.021 14.696 41 3HD2 LEU 5 3HD2 LEU 5 0.748 6.316 15.305 42 HA PRO 6 HA PRO 6 8.357 6.766 17.928 43 1HB PRO 6 1HB PRO 6 9.385 7.798 15.644 44 2HB PRO 6 2HB PRO 6 9.032 6.075 15.830 45 1HG PRO 6 1HG PRO 6 7.415 8.208 14.485 46 2HG PRO 6 2HG PRO 6 7.760 6.558 13.939 47 1HD PRO 6 1HD PRO 6 5.419 7.253 15.112 48 2HD PRO 6 2HD PRO 6 6.131 5.639 15.284 49 HA PRO 7 HA PRO 7 8.538 11.057 19.056 50 1HB PRO 7 1HB PRO 7 11.447 11.045 18.654 51 2HB PRO 7 2HB PRO 7 10.525 11.269 20.142 52 1HG PRO 7 1HG PRO 7 11.951 9.035 19.650 53 2HG PRO 7 2HG PRO 7 10.449 9.023 20.589 54 1HD PRO 7 1HD PRO 7 10.916 8.216 17.749 55 2HD PRO 7 2HD PRO 7 9.864 7.476 18.972 56 H CYS 8 H CYS 8 9.963 13.091 18.323 57 HA CYS 8 HA CYS 8 9.634 13.266 15.425 58 1HB CYS 8 1HB CYS 8 8.490 15.037 16.535 59 2HB CYS 8 2HB CYS 8 9.850 15.341 17.609 60 HA PRO 9 HA PRO 9 14.070 12.857 15.135 61 1HB PRO 9 1HB PRO 9 14.297 13.409 12.488 62 2HB PRO 9 2HB PRO 9 13.702 11.858 13.092 63 1HG PRO 9 1HG PRO 9 12.149 14.223 12.103 64 2HG PRO 9 2HG PRO 9 11.913 12.504 11.741 65 1HD PRO 9 1HD PRO 9 10.403 13.805 13.555 66 2HD PRO 9 2HD PRO 9 10.846 12.096 13.749 67 H GLN 10 H GLN 10 12.384 15.539 15.380 68 HA GLN 10 HA GLN 10 14.641 17.309 14.779 69 1HB GLN 10 1HB GLN 10 11.719 18.051 14.609 70 2HB GLN 10 2HB GLN 10 13.096 19.052 14.157 71 1HG GLN 10 1HG GLN 10 13.601 17.680 12.302 72 2HG GLN 10 2HG GLN 10 12.489 16.426 12.848 73 1HE2 GLN 10 1HE2 GLN 10 10.283 16.729 12.583 74 2HE2 GLN 10 2HE2 GLN 10 9.647 17.880 11.482 75 H CYS 11 H CYS 11 11.980 16.486 17.073 76 HA CYS 11 HA CYS 11 13.110 18.447 18.929 77 1HB CYS 11 1HB CYS 11 10.343 17.203 18.901 78 2HB CYS 11 2HB CYS 11 10.913 18.441 20.012 79 H ASN 12 H ASN 12 11.821 15.197 18.504 80 HA ASN 12 HA ASN 12 12.326 13.195 19.423 81 1HB ASN 12 1HB ASN 12 14.655 14.076 19.536 82 2HB ASN 12 2HB ASN 12 14.324 14.626 21.176 83 1HD2 ASN 12 1HD2 ASN 12 15.777 13.315 22.190 84 2HD2 ASN 12 2HD2 ASN 12 15.617 11.593 22.255 85 H SER 13 H SER 13 11.607 15.857 21.502 86 HA SER 13 HA SER 13 11.245 14.818 23.973 87 1HB SER 13 1HB SER 13 9.165 16.601 22.726 88 2HB SER 13 2HB SER 13 9.723 16.578 24.402 89 HG SER 13 HG SER 13 11.649 17.468 23.780 90 H GLU 14 H GLU 14 8.270 15.199 22.056 91 HA GLU 14 HA GLU 14 7.389 12.575 21.904 92 1HB GLU 14 1HB GLU 14 5.775 12.459 23.794 93 2HB GLU 14 2HB GLU 14 7.451 12.452 24.322 94 1HG GLU 14 1HG GLU 14 7.222 14.910 24.755 95 2HG GLU 14 2HG GLU 14 5.493 14.726 24.456 96 H TYR 15 H TYR 15 7.294 15.054 20.578 97 HA TYR 15 HA TYR 15 4.528 15.979 20.793 98 1HB TYR 15 1HB TYR 15 6.979 17.194 19.548 99 2HB TYR 15 2HB TYR 15 5.367 17.842 19.261 100 HD1 TYR 15 HD1 TYR 15 3.990 18.521 21.301 101 HD2 TYR 15 HD2 TYR 15 8.183 17.821 21.454 102 HE1 TYR 15 HE1 TYR 15 4.122 19.818 23.384 103 HE2 TYR 15 HE2 TYR 15 8.328 19.114 23.540 104 HH TYR 15 HH TYR 15 6.946 20.999 24.630 105 H THR 16 H THR 16 5.392 13.463 19.358 106 HA THR 16 HA THR 16 4.365 14.132 16.714 107 HB THR 16 HB THR 16 5.151 11.366 17.560 108 HG1 THR 16 HG1 THR 16 7.299 11.904 16.989 109 1HG2 THR 16 1HG2 THR 16 5.846 11.233 15.202 110 2HG2 THR 16 2HG2 THR 16 5.337 12.906 14.969 111 3HG2 THR 16 3HG2 THR 16 4.145 11.667 15.362 112 H TYR 17 H TYR 17 2.435 13.432 15.944 113 HA TYR 17 HA TYR 17 0.937 11.386 17.331 114 1HB TYR 17 1HB TYR 17 -1.082 12.644 17.602 115 2HB TYR 17 2HB TYR 17 0.198 13.595 18.337 116 HD1 TYR 17 HD1 TYR 17 0.901 15.731 17.325 117 HD2 TYR 17 HD2 TYR 17 -2.221 13.398 15.610 118 HE1 TYR 17 HE1 TYR 17 0.184 17.668 15.995 119 HE2 TYR 17 HE2 TYR 17 -2.936 15.328 14.273 120 HH TYR 17 HH TYR 17 -2.792 17.697 14.243 121 H GLU 18 H GLU 18 -1.182 10.993 15.835 122 HA GLU 18 HA GLU 18 -0.191 11.255 13.085 123 1HB GLU 18 1HB GLU 18 -1.669 9.287 12.605 124 2HB GLU 18 2HB GLU 18 -0.328 8.958 13.692 125 1HG GLU 18 1HG GLU 18 -1.812 9.048 15.600 126 2HG GLU 18 2HG GLU 18 -3.164 9.475 14.553 127 H ASP 19 H ASP 19 -1.209 12.649 11.829 128 HA ASP 19 HA ASP 19 -4.069 13.120 12.258 129 1HB ASP 19 1HB ASP 19 -2.623 15.127 12.529 130 2HB ASP 19 2HB ASP 19 -2.062 14.911 10.874 131 H GLY 20 H GLY 20 -4.307 11.071 11.055 132 1HA GLY 20 1HA GLY 20 -5.447 10.496 9.048 133 2HA GLY 20 2HA GLY 20 -4.512 11.720 8.205 134 H ALA 21 H ALA 21 -2.744 11.122 7.124 135 HA ALA 21 HA ALA 21 -2.138 8.242 7.174 136 1HB ALA 21 1HB ALA 21 -3.186 9.062 5.121 137 2HB ALA 21 2HB ALA 21 -1.554 8.460 4.827 138 3HB ALA 21 3HB ALA 21 -1.854 10.197 4.901 139 H LEU 22 H LEU 22 -0.823 10.547 8.695 140 HA LEU 22 HA LEU 22 1.831 9.567 8.372 141 1HB LEU 22 1HB LEU 22 2.963 11.445 7.630 142 2HB LEU 22 2HB LEU 22 1.553 11.392 6.592 143 HG LEU 22 HG LEU 22 1.795 13.162 9.024 144 1HD1 LEU 22 1HD1 LEU 22 3.458 13.799 7.416 145 2HD1 LEU 22 2HD1 LEU 22 2.136 14.970 7.388 146 3HD1 LEU 22 3HD1 LEU 22 2.263 13.755 6.116 147 1HD2 LEU 22 1HD2 LEU 22 -0.509 12.686 8.431 148 2HD2 LEU 22 2HD2 LEU 22 -0.188 13.120 6.751 149 3HD2 LEU 22 3HD2 LEU 22 -0.105 14.351 8.010 150 H LEU 23 H LEU 23 3.309 11.236 9.773 151 HA LEU 23 HA LEU 23 1.851 11.693 12.284 152 1HB LEU 23 1HB LEU 23 4.838 11.503 11.951 153 2HB LEU 23 2HB LEU 23 3.915 11.421 13.439 154 HG LEU 23 HG LEU 23 3.975 9.326 11.269 155 1HD1 LEU 23 1HD1 LEU 23 5.087 9.352 14.068 156 2HD1 LEU 23 2HD1 LEU 23 6.018 9.406 12.571 157 3HD1 LEU 23 3HD1 LEU 23 5.084 7.966 12.978 158 1HD2 LEU 23 1HD2 LEU 23 1.779 9.447 12.333 159 2HD2 LEU 23 2HD2 LEU 23 2.539 9.316 13.919 160 3HD2 LEU 23 3HD2 LEU 23 2.636 7.971 12.781 161 H VAL 24 H VAL 24 1.836 13.741 13.157 162 HA VAL 24 HA VAL 24 3.293 15.838 11.703 163 HB VAL 24 HB VAL 24 0.589 16.045 13.041 164 1HG1 VAL 24 1HG1 VAL 24 1.819 18.120 13.118 165 2HG1 VAL 24 2HG1 VAL 24 0.473 18.248 11.985 166 3HG1 VAL 24 3HG1 VAL 24 2.117 18.037 11.381 167 1HG2 VAL 24 1HG2 VAL 24 1.271 15.937 10.107 168 2HG2 VAL 24 2HG2 VAL 24 -0.330 16.247 10.781 169 3HG2 VAL 24 3HG2 VAL 24 0.449 14.685 11.040 170 H CYS 25 H CYS 25 4.600 17.116 12.976 171 HA CYS 25 HA CYS 25 4.292 16.835 15.872 172 1HB CYS 25 1HB CYS 25 6.518 16.363 14.955 173 2HB CYS 25 2HB CYS 25 6.565 17.963 14.228 174 HA PRO 26 HA PRO 26 2.328 20.868 15.510 175 1HB PRO 26 1HB PRO 26 1.413 20.943 18.054 176 2HB PRO 26 2HB PRO 26 0.620 19.998 16.788 177 1HG PRO 26 1HG PRO 26 2.511 19.094 18.924 178 2HG PRO 26 2HG PRO 26 1.018 18.326 18.349 179 1HD PRO 26 1HD PRO 26 3.497 17.531 17.559 180 2HD PRO 26 2HD PRO 26 2.059 17.384 16.527 181 H GLU 27 H GLU 27 4.948 19.771 17.331 182 HA GLU 27 HA GLU 27 5.447 22.178 18.788 183 1HB GLU 27 1HB GLU 27 6.290 20.012 19.585 184 2HB GLU 27 2HB GLU 27 7.311 19.886 18.160 185 1HG GLU 27 1HG GLU 27 8.538 20.598 20.164 186 2HG GLU 27 2HG GLU 27 8.614 21.778 18.857 187 H CYS 28 H CYS 28 7.506 20.665 16.164 188 HA CYS 28 HA CYS 28 8.511 23.320 15.687 189 1HB CYS 28 1HB CYS 28 10.141 22.149 14.229 190 2HB CYS 28 2HB CYS 28 10.113 21.521 15.872 191 H ALA 29 H ALA 29 5.745 22.037 14.637 192 HA ALA 29 HA ALA 29 4.405 22.417 12.890 193 1HB ALA 29 1HB ALA 29 5.009 24.734 13.382 194 2HB ALA 29 2HB ALA 29 4.716 24.489 11.660 195 3HB ALA 29 3HB ALA 29 6.367 24.614 12.265 196 H HIS 30 H HIS 30 6.242 20.371 12.484 197 HA HIS 30 HA HIS 30 6.412 20.459 9.564 198 1HB HIS 30 1HB HIS 30 8.689 20.925 10.630 199 2HB HIS 30 2HB HIS 30 8.629 19.284 11.237 200 HD1 HIS 30 HD1 HIS 30 10.850 18.968 9.760 201 HD2 HIS 30 HD2 HIS 30 7.321 19.583 7.637 202 HE1 HIS 30 HE1 HIS 30 11.333 18.227 7.409 203 HE2 HIS 30 HE2 HIS 30 9.235 18.734 6.106 204 H GLU 31 H GLU 31 5.507 18.732 8.686 205 HA GLU 31 HA GLU 31 4.739 16.495 10.384 206 1HB GLU 31 1HB GLU 31 4.128 16.723 7.447 207 2HB GLU 31 2HB GLU 31 3.220 15.884 8.694 208 1HG GLU 31 1HG GLU 31 1.882 17.697 8.279 209 2HG GLU 31 2HG GLU 31 2.835 18.271 9.646 210 H TRP 32 H TRP 32 5.072 14.249 9.568 211 HA TRP 32 HA TRP 32 7.038 13.758 7.561 212 1HB TRP 32 1HB TRP 32 8.938 13.299 8.772 213 2HB TRP 32 2HB TRP 32 8.256 14.582 9.763 214 HD1 TRP 32 HD1 TRP 32 6.433 13.358 11.746 215 HE1 TRP 32 HE1 TRP 32 7.109 11.484 13.384 216 HE3 TRP 32 HE3 TRP 32 10.481 11.519 9.235 217 HZ2 TRP 32 HZ2 TRP 32 9.104 9.494 13.578 218 HZ3 TRP 32 HZ3 TRP 32 11.720 9.630 10.211 219 HH2 TRP 32 HH2 TRP 32 11.044 8.640 12.337 220 H SER 33 H SER 33 7.513 11.448 7.385 221 HA SER 33 HA SER 33 5.410 9.801 8.602 222 1HB SER 33 1HB SER 33 5.156 10.075 6.149 223 2HB SER 33 2HB SER 33 6.767 9.395 5.922 224 HG SER 33 HG SER 33 4.630 8.039 5.908 225 HA PRO 34 HA PRO 34 8.521 7.729 10.836 226 1HB PRO 34 1HB PRO 34 7.446 5.163 10.815 227 2HB PRO 34 2HB PRO 34 7.037 6.443 11.960 228 1HG PRO 34 1HG PRO 34 5.582 5.546 9.521 229 2HG PRO 34 2HG PRO 34 4.940 6.128 11.065 230 1HD PRO 34 1HD PRO 34 4.975 7.671 8.859 231 2HD PRO 34 2HD PRO 34 5.213 8.343 10.481 232 H ASN 35 H ASN 35 7.489 6.224 7.813 233 HA ASN 35 HA ASN 35 10.264 5.398 7.390 234 1HB ASN 35 1HB ASN 35 9.429 3.327 8.016 235 2HB ASN 35 2HB ASN 35 7.833 3.654 7.351 236 1HD2 ASN 35 1HD2 ASN 35 7.411 3.228 5.239 237 2HD2 ASN 35 2HD2 ASN 35 8.505 2.376 4.212 238 H GLU 36 H GLU 36 7.079 5.830 5.915 239 HA GLU 36 HA GLU 36 7.748 5.694 3.251 240 1HB GLU 36 1HB GLU 36 5.474 5.780 3.765 241 2HB GLU 36 2HB GLU 36 5.652 7.212 4.765 242 1HG GLU 36 1HG GLU 36 6.334 7.633 1.955 243 2HG GLU 36 2HG GLU 36 4.657 7.160 2.236 244 H ALA 37 H ALA 37 8.108 8.444 5.430 245 HA ALA 37 HA ALA 37 8.676 10.395 3.481 246 1HB ALA 37 1HB ALA 37 9.470 10.266 6.382 247 2HB ALA 37 2HB ALA 37 8.011 11.002 5.713 248 3HB ALA 37 3HB ALA 37 9.591 11.699 5.358 249 H ALA 38 H ALA 38 10.636 7.924 4.907 250 HA ALA 38 HA ALA 38 13.146 9.193 4.267 251 1HB ALA 38 1HB ALA 38 14.155 7.130 5.087 252 2HB ALA 38 2HB ALA 38 12.563 6.375 5.169 253 3HB ALA 38 3HB ALA 38 12.948 7.737 6.220 254 H THR 39 H THR 39 10.825 7.547 2.524 255 HA THR 39 HA THR 39 12.797 6.640 0.529 256 HB THR 39 HB THR 39 9.977 5.593 0.820 257 HG1 THR 39 HG1 THR 39 11.625 5.218 2.628 258 1HG2 THR 39 1HG2 THR 39 10.827 3.732 -0.533 259 2HG2 THR 39 2HG2 THR 39 12.407 4.514 -0.616 260 3HG2 THR 39 3HG2 THR 39 11.007 5.271 -1.378 261 H ALA 40 H ALA 40 9.346 7.513 0.651 262 HA ALA 40 HA ALA 40 9.492 9.737 -1.057 263 1HB ALA 40 1HB ALA 40 10.122 8.103 -2.773 264 2HB ALA 40 2HB ALA 40 8.543 8.812 -3.116 265 3HB ALA 40 3HB ALA 40 8.653 7.185 -2.443 266 H SER 41 H SER 41 7.714 10.854 -0.534 267 HA SER 41 HA SER 41 5.512 9.634 0.793 268 1HB SER 41 1HB SER 41 5.826 12.425 -0.336 269 2HB SER 41 2HB SER 41 4.509 11.901 0.713 270 HG SER 41 HG SER 41 6.334 11.226 2.178 271 H ASP 42 H ASP 42 4.451 8.185 -0.428 272 HA ASP 42 HA ASP 42 2.876 9.208 -2.651 273 1HB ASP 42 1HB ASP 42 5.041 8.250 -3.582 274 2HB ASP 42 2HB ASP 42 4.518 6.684 -2.973 275 H ASP 43 H ASP 43 1.357 7.367 -3.407 276 HA ASP 43 HA ASP 43 -0.058 6.349 -1.141 277 1HB ASP 43 1HB ASP 43 -0.442 5.615 -4.052 278 2HB ASP 43 2HB ASP 43 -1.621 5.459 -2.755 279 H GLY 44 H GLY 44 2.414 5.207 -3.223 280 1HA GLY 44 1HA GLY 44 3.633 3.206 -3.014 281 2HA GLY 44 2HA GLY 44 2.359 2.562 -1.978 282 H LYS 45 H LYS 45 1.644 4.179 -4.931 283 HA LYS 45 HA LYS 45 0.165 1.877 -5.854 284 1HB LYS 45 1HB LYS 45 -0.583 3.464 -7.644 285 2HB LYS 45 2HB LYS 45 -0.931 3.988 -6.003 286 1HG LYS 45 1HG LYS 45 1.045 5.452 -6.076 287 2HG LYS 45 2HG LYS 45 1.321 4.960 -7.748 288 1HD LYS 45 1HD LYS 45 -0.842 5.869 -8.389 289 2HD LYS 45 2HD LYS 45 -1.166 6.314 -6.713 290 1HE LYS 45 1HE LYS 45 1.114 7.367 -8.378 291 2HE LYS 45 2HE LYS 45 -0.403 8.218 -8.091 292 1HZ LYS 45 1HZ LYS 45 1.650 7.482 -6.074 293 2HZ LYS 45 2HZ LYS 45 0.123 8.106 -5.677 294 3HZ LYS 45 3HZ LYS 45 1.215 9.040 -6.579 295 H VAL 46 H VAL 46 3.271 2.537 -6.055 296 HA VAL 46 HA VAL 46 3.591 1.811 -8.867 297 HB VAL 46 HB VAL 46 5.788 2.388 -6.891 298 1HG1 VAL 46 1HG1 VAL 46 5.682 2.411 -9.899 299 2HG1 VAL 46 2HG1 VAL 46 6.495 1.219 -8.881 300 3HG1 VAL 46 3HG1 VAL 46 7.074 2.885 -8.923 301 1HG2 VAL 46 1HG2 VAL 46 4.321 4.319 -6.975 302 2HG2 VAL 46 2HG2 VAL 46 4.367 4.298 -8.738 303 3HG2 VAL 46 3HG2 VAL 46 5.830 4.669 -7.821 304 H ILE 47 H ILE 47 3.352 -0.251 -9.183 305 HA ILE 47 HA ILE 47 3.531 -2.161 -7.058 306 HB ILE 47 HB ILE 47 3.112 -2.875 -9.952 307 1HG1 ILE 47 1HG1 ILE 47 1.648 -0.964 -9.486 308 2HG1 ILE 47 2HG1 ILE 47 0.709 -2.442 -9.649 309 1HG2 ILE 47 1HG2 ILE 47 1.641 -4.607 -8.981 310 2HG2 ILE 47 2HG2 ILE 47 2.063 -4.036 -7.368 311 3HG2 ILE 47 3HG2 ILE 47 3.306 -4.738 -8.407 312 1HD1 ILE 47 1HD1 ILE 47 0.453 -2.588 -7.254 313 2HD1 ILE 47 2HD1 ILE 47 -0.079 -1.004 -7.826 314 3HD1 ILE 47 3HD1 ILE 47 1.488 -1.174 -7.034 315 H LYS 48 H LYS 48 5.021 -3.659 -6.661 316 HA LYS 48 HA LYS 48 7.277 -3.945 -8.527 317 1HB LYS 48 1HB LYS 48 7.166 -3.425 -5.678 318 2HB LYS 48 2HB LYS 48 8.146 -4.839 -6.049 319 1HG LYS 48 1HG LYS 48 9.728 -3.644 -7.120 320 2HG LYS 48 2HG LYS 48 8.577 -2.452 -7.719 321 1HD LYS 48 1HD LYS 48 9.341 -2.621 -4.817 322 2HD LYS 48 2HD LYS 48 10.247 -1.649 -5.979 323 1HE LYS 48 1HE LYS 48 8.736 -0.137 -5.028 324 2HE LYS 48 2HE LYS 48 7.995 -0.582 -6.564 325 1HZ LYS 48 1HZ LYS 48 7.273 -1.998 -4.070 326 2HZ LYS 48 2HZ LYS 48 6.382 -1.858 -5.505 327 3HZ LYS 48 3HZ LYS 48 6.545 -0.526 -4.476 328 H ASP 49 H ASP 49 8.335 -6.019 -8.577 329 HA ASP 49 HA ASP 49 6.363 -8.181 -8.468 330 1HB ASP 49 1HB ASP 49 9.105 -8.211 -9.737 331 2HB ASP 49 2HB ASP 49 7.804 -9.356 -10.009 332 H SER 50 H SER 50 7.531 -10.410 -8.208 333 HA SER 50 HA SER 50 8.744 -10.459 -5.578 334 1HB SER 50 1HB SER 50 7.142 -12.216 -6.316 335 2HB SER 50 2HB SER 50 8.313 -12.745 -7.525 336 HG SER 50 HG SER 50 9.771 -13.038 -5.645 337 H VAL 51 H VAL 51 9.799 -9.922 -8.566 338 HA VAL 51 HA VAL 51 12.442 -11.173 -8.366 339 HB VAL 51 HB VAL 51 11.573 -9.274 -10.518 340 1HG1 VAL 51 1HG1 VAL 51 13.887 -9.844 -10.565 341 2HG1 VAL 51 2HG1 VAL 51 13.079 -10.687 -11.892 342 3HG1 VAL 51 3HG1 VAL 51 13.516 -11.562 -10.423 343 1HG2 VAL 51 1HG2 VAL 51 10.692 -11.166 -11.769 344 2HG2 VAL 51 2HG2 VAL 51 9.807 -10.916 -10.264 345 3HG2 VAL 51 3HG2 VAL 51 10.989 -12.220 -10.386 346 H GLY 52 H GLY 52 10.859 -8.317 -7.646 347 1HA GLY 52 1HA GLY 52 11.796 -6.619 -6.285 348 2HA GLY 52 2HA GLY 52 13.382 -7.029 -6.921 349 H ASN 53 H ASN 53 11.286 -6.954 -9.500 350 HA ASN 53 HA ASN 53 12.327 -4.373 -10.296 351 1HB ASN 53 1HB ASN 53 10.329 -5.337 -12.143 352 2HB ASN 53 2HB ASN 53 12.061 -5.077 -12.395 353 1HD2 ASN 53 1HD2 ASN 53 9.610 -7.268 -11.467 354 2HD2 ASN 53 2HD2 ASN 53 10.525 -8.710 -11.751 355 H VAL 54 H VAL 54 10.946 -2.952 -11.385 356 HA VAL 54 HA VAL 54 8.338 -2.565 -10.053 357 HB VAL 54 HB VAL 54 10.088 -0.352 -11.150 358 1HG1 VAL 54 1HG1 VAL 54 7.619 -0.330 -9.425 359 2HG1 VAL 54 2HG1 VAL 54 7.737 0.182 -11.111 360 3HG1 VAL 54 3HG1 VAL 54 8.574 1.092 -9.853 361 1HG2 VAL 54 1HG2 VAL 54 11.202 -1.404 -9.240 362 2HG2 VAL 54 2HG2 VAL 54 9.744 -1.187 -8.271 363 3HG2 VAL 54 3HG2 VAL 54 10.638 0.220 -8.847 364 H LEU 55 H LEU 55 6.578 -2.056 -11.419 365 HA LEU 55 HA LEU 55 7.168 -2.681 -14.203 366 1HB LEU 55 1HB LEU 55 4.535 -2.648 -12.720 367 2HB LEU 55 2HB LEU 55 4.756 -3.137 -14.386 368 HG LEU 55 HG LEU 55 4.600 -5.147 -13.233 369 1HD1 LEU 55 1HD1 LEU 55 6.752 -6.202 -13.336 370 2HD1 LEU 55 2HD1 LEU 55 7.526 -4.617 -13.423 371 3HD1 LEU 55 3HD1 LEU 55 6.470 -5.158 -14.730 372 1HD2 LEU 55 1HD2 LEU 55 6.448 -4.077 -11.132 373 2HD2 LEU 55 2HD2 LEU 55 5.733 -5.691 -11.166 374 3HD2 LEU 55 3HD2 LEU 55 4.703 -4.272 -10.977 375 H GLN 56 H GLN 56 5.519 -1.655 -15.727 376 HA GLN 56 HA GLN 56 5.141 1.200 -15.121 377 1HB GLN 56 1HB GLN 56 7.009 0.954 -16.673 378 2HB GLN 56 2HB GLN 56 6.061 -0.104 -17.699 379 1HG GLN 56 1HG GLN 56 6.349 2.157 -18.620 380 2HG GLN 56 2HG GLN 56 4.662 1.715 -18.382 381 1HE2 GLN 56 1HE2 GLN 56 3.407 3.008 -17.211 382 2HE2 GLN 56 2HE2 GLN 56 3.944 4.390 -16.317 383 H ASP 57 H ASP 57 3.149 2.071 -15.942 384 HA ASP 57 HA ASP 57 1.043 0.190 -16.108 385 1HB ASP 57 1HB ASP 57 0.933 2.595 -15.242 386 2HB ASP 57 2HB ASP 57 0.912 3.093 -16.931 387 H GLY 58 H GLY 58 1.147 -1.139 -17.813 388 1HA GLY 58 1HA GLY 58 0.211 -1.205 -20.134 389 2HA GLY 58 2HA GLY 58 1.347 0.088 -20.491 390 H ASP 59 H ASP 59 3.027 -1.606 -18.400 391 HA ASP 59 HA ASP 59 4.721 -2.816 -20.332 392 1HB ASP 59 1HB ASP 59 5.074 -1.953 -17.788 393 2HB ASP 59 2HB ASP 59 4.950 -3.684 -17.508 394 H THR 60 H THR 60 5.518 -5.159 -19.843 395 HA THR 60 HA THR 60 3.150 -6.900 -19.825 396 HB THR 60 HB THR 60 5.889 -7.567 -20.917 397 HG1 THR 60 HG1 THR 60 5.309 -6.707 -22.806 398 1HG2 THR 60 1HG2 THR 60 4.680 -9.313 -22.141 399 2HG2 THR 60 2HG2 THR 60 3.173 -8.802 -21.383 400 3HG2 THR 60 3HG2 THR 60 4.465 -9.490 -20.399 401 H ILE 61 H ILE 61 3.042 -8.571 -18.331 402 HA ILE 61 HA ILE 61 5.371 -8.814 -16.541 403 HB ILE 61 HB ILE 61 4.010 -8.940 -14.598 404 1HG1 ILE 61 1HG1 ILE 61 1.401 -8.365 -15.180 405 2HG1 ILE 61 2HG1 ILE 61 1.836 -9.413 -16.529 406 1HG2 ILE 61 1HG2 ILE 61 2.926 -6.747 -14.534 407 2HG2 ILE 61 2HG2 ILE 61 3.029 -6.650 -16.292 408 3HG2 ILE 61 3HG2 ILE 61 4.502 -6.681 -15.322 409 1HD1 ILE 61 1HD1 ILE 61 2.150 -10.076 -13.608 410 2HD1 ILE 61 2HD1 ILE 61 2.567 -11.129 -14.961 411 3HD1 ILE 61 3HD1 ILE 61 0.883 -10.678 -14.679 412 H THR 62 H THR 62 5.281 -10.894 -15.258 413 HA THR 62 HA THR 62 3.736 -13.021 -16.491 414 HB THR 62 HB THR 62 6.698 -12.726 -16.757 415 HG1 THR 62 HG1 THR 62 4.737 -12.528 -18.388 416 1HG2 THR 62 1HG2 THR 62 6.911 -15.113 -17.284 417 2HG2 THR 62 2HG2 THR 62 5.241 -15.369 -16.773 418 3HG2 THR 62 3HG2 THR 62 6.456 -14.855 -15.599 419 H VAL 63 H VAL 63 2.916 -14.140 -14.879 420 HA VAL 63 HA VAL 63 3.825 -14.083 -12.208 421 HB VAL 63 HB VAL 63 1.494 -14.810 -13.269 422 1HG1 VAL 63 1HG1 VAL 63 2.911 -17.422 -12.921 423 2HG1 VAL 63 2HG1 VAL 63 2.232 -16.763 -14.412 424 3HG1 VAL 63 3HG1 VAL 63 1.164 -17.240 -13.091 425 1HG2 VAL 63 1HG2 VAL 63 1.870 -14.434 -10.898 426 2HG2 VAL 63 2HG2 VAL 63 2.601 -16.036 -10.751 427 3HG2 VAL 63 3HG2 VAL 63 0.891 -15.881 -11.152 428 H ILE 64 H ILE 64 5.515 -15.100 -11.333 429 HA ILE 64 HA ILE 64 6.702 -17.274 -12.820 430 HB ILE 64 HB ILE 64 8.693 -16.960 -11.537 431 1HG1 ILE 64 1HG1 ILE 64 7.331 -16.342 -9.392 432 2HG1 ILE 64 2HG1 ILE 64 8.935 -15.675 -9.622 433 1HG2 ILE 64 1HG2 ILE 64 8.316 -15.476 -13.408 434 2HG2 ILE 64 2HG2 ILE 64 9.206 -14.641 -12.132 435 3HG2 ILE 64 3HG2 ILE 64 7.484 -14.331 -12.355 436 1HD1 ILE 64 1HD1 ILE 64 7.827 -13.615 -10.513 437 2HD1 ILE 64 2HD1 ILE 64 7.553 -13.954 -8.804 438 3HD1 ILE 64 3HD1 ILE 64 6.293 -14.305 -9.981 439 H LYS 65 H LYS 65 4.225 -17.745 -10.978 440 HA LYS 65 HA LYS 65 5.396 -20.084 -9.777 441 1HB LYS 65 1HB LYS 65 3.865 -17.989 -8.238 442 2HB LYS 65 2HB LYS 65 3.843 -19.675 -7.745 443 1HG LYS 65 1HG LYS 65 5.606 -19.131 -6.502 444 2HG LYS 65 2HG LYS 65 6.514 -19.210 -8.011 445 1HD LYS 65 1HD LYS 65 6.026 -16.775 -8.326 446 2HD LYS 65 2HD LYS 65 5.332 -16.766 -6.707 447 1HE LYS 65 1HE LYS 65 8.166 -17.562 -7.373 448 2HE LYS 65 2HE LYS 65 7.677 -15.990 -6.744 449 1HZ LYS 65 1HZ LYS 65 8.526 -17.549 -5.035 450 2HZ LYS 65 2HZ LYS 65 7.194 -18.556 -5.327 451 3HZ LYS 65 3HZ LYS 65 6.956 -16.990 -4.724 452 H ASP 66 H ASP 66 3.775 -21.693 -9.394 453 HA ASP 66 HA ASP 66 1.546 -21.491 -11.207 454 1HB ASP 66 1HB ASP 66 1.056 -23.857 -10.523 455 2HB ASP 66 2HB ASP 66 2.660 -23.591 -11.195 456 H LEU 67 H LEU 67 0.017 -20.172 -10.566 457 HA LEU 67 HA LEU 67 -1.423 -20.731 -8.057 458 1HB LEU 67 1HB LEU 67 -1.419 -18.286 -9.833 459 2HB LEU 67 2HB LEU 67 -2.542 -18.519 -8.514 460 HG LEU 67 HG LEU 67 -0.482 -18.638 -6.998 461 1HD1 LEU 67 1HD1 LEU 67 1.506 -17.491 -7.820 462 2HD1 LEU 67 2HD1 LEU 67 0.790 -17.396 -9.429 463 3HD1 LEU 67 3HD1 LEU 67 1.194 -18.966 -8.734 464 1HD2 LEU 67 1HD2 LEU 67 -2.018 -16.757 -7.041 465 2HD2 LEU 67 2HD2 LEU 67 -1.175 -16.080 -8.434 466 3HD2 LEU 67 3HD2 LEU 67 -0.355 -16.191 -6.876 467 H LYS 68 H LYS 68 -3.663 -21.067 -8.175 468 HA LYS 68 HA LYS 68 -4.787 -21.565 -10.816 469 1HB LYS 68 1HB LYS 68 -6.633 -22.625 -9.684 470 2HB LYS 68 2HB LYS 68 -5.118 -23.228 -9.024 471 1HG LYS 68 1HG LYS 68 -5.361 -22.006 -7.037 472 2HG LYS 68 2HG LYS 68 -6.635 -20.993 -7.721 473 1HD LYS 68 1HD LYS 68 -7.528 -22.671 -6.175 474 2HD LYS 68 2HD LYS 68 -8.127 -22.903 -7.819 475 1HE LYS 68 1HE LYS 68 -6.473 -24.660 -8.182 476 2HE LYS 68 2HE LYS 68 -5.852 -24.423 -6.547 477 1HZ LYS 68 1HZ LYS 68 -7.322 -26.274 -6.528 478 2HZ LYS 68 2HZ LYS 68 -8.547 -25.404 -7.311 479 3HZ LYS 68 3HZ LYS 68 -8.101 -25.006 -5.723 480 H VAL 69 H VAL 69 -7.345 -21.020 -10.788 481 HA VAL 69 HA VAL 69 -7.629 -18.179 -10.076 482 HB VAL 69 HB VAL 69 -9.064 -17.937 -12.043 483 1HG1 VAL 69 1HG1 VAL 69 -7.369 -18.067 -13.790 484 2HG1 VAL 69 2HG1 VAL 69 -6.383 -19.094 -12.749 485 3HG1 VAL 69 3HG1 VAL 69 -6.699 -17.419 -12.293 486 1HG2 VAL 69 1HG2 VAL 69 -9.964 -20.128 -12.209 487 2HG2 VAL 69 2HG2 VAL 69 -8.370 -20.801 -12.548 488 3HG2 VAL 69 3HG2 VAL 69 -9.148 -19.745 -13.725 489 H LYS 70 H LYS 70 -9.675 -17.665 -9.083 490 HA LYS 70 HA LYS 70 -11.231 -19.850 -8.172 491 1HB LYS 70 1HB LYS 70 -12.724 -17.991 -7.281 492 2HB LYS 70 2HB LYS 70 -11.072 -18.051 -6.684 493 1HG LYS 70 1HG LYS 70 -10.478 -16.277 -8.320 494 2HG LYS 70 2HG LYS 70 -12.182 -16.173 -8.760 495 1HD LYS 70 1HD LYS 70 -11.151 -15.790 -5.959 496 2HD LYS 70 2HD LYS 70 -11.396 -14.466 -7.098 497 1HE LYS 70 1HE LYS 70 -13.768 -15.065 -7.268 498 2HE LYS 70 2HE LYS 70 -13.514 -16.375 -6.114 499 1HZ LYS 70 1HZ LYS 70 -12.902 -14.767 -4.443 500 2HZ LYS 70 2HZ LYS 70 -14.430 -14.377 -5.067 501 3HZ LYS 70 3HZ LYS 70 -13.066 -13.494 -5.549 502 H GLY 71 H GLY 71 -12.513 -17.000 -9.932 503 1HA GLY 71 1HA GLY 71 -14.718 -18.700 -10.818 504 2HA GLY 71 2HA GLY 71 -14.673 -16.945 -10.875 505 H SER 72 H SER 72 -12.607 -19.506 -12.202 506 HA SER 72 HA SER 72 -13.151 -18.585 -14.859 507 1HB SER 72 1HB SER 72 -10.396 -18.382 -13.654 508 2HB SER 72 2HB SER 72 -10.721 -18.311 -15.378 509 HG SER 72 HG SER 72 -12.330 -16.623 -13.998 510 H SER 73 H SER 73 -11.812 -19.972 -16.457 511 HA SER 73 HA SER 73 -11.531 -22.715 -15.431 512 1HB SER 73 1HB SER 73 -11.592 -21.786 -18.319 513 2HB SER 73 2HB SER 73 -11.730 -23.445 -17.733 514 HG SER 73 HG SER 73 -13.679 -22.630 -16.585 515 H LEU 74 H LEU 74 -9.902 -20.120 -15.638 516 HA LEU 74 HA LEU 74 -7.540 -20.766 -17.089 517 1HB LEU 74 1HB LEU 74 -8.400 -18.506 -15.346 518 2HB LEU 74 2HB LEU 74 -6.710 -18.671 -15.764 519 HG LEU 74 HG LEU 74 -7.867 -17.104 -17.247 520 1HD1 LEU 74 1HD1 LEU 74 -7.158 -18.065 -19.379 521 2HD1 LEU 74 2HD1 LEU 74 -7.001 -19.644 -18.608 522 3HD1 LEU 74 3HD1 LEU 74 -5.958 -18.312 -18.110 523 1HD2 LEU 74 1HD2 LEU 74 -9.500 -17.976 -18.888 524 2HD2 LEU 74 2HD2 LEU 74 -10.096 -18.004 -17.229 525 3HD2 LEU 74 3HD2 LEU 74 -9.543 -19.495 -17.993 526 H VAL 75 H VAL 75 -5.420 -20.055 -15.661 527 HA VAL 75 HA VAL 75 -5.057 -21.407 -13.306 528 HB VAL 75 HB VAL 75 -4.160 -22.920 -15.765 529 1HG1 VAL 75 1HG1 VAL 75 -2.254 -22.637 -14.254 530 2HG1 VAL 75 2HG1 VAL 75 -2.800 -24.314 -14.277 531 3HG1 VAL 75 3HG1 VAL 75 -3.219 -23.269 -12.918 532 1HG2 VAL 75 1HG2 VAL 75 -5.659 -23.789 -13.291 533 2HG2 VAL 75 2HG2 VAL 75 -5.177 -24.845 -14.625 534 3HG2 VAL 75 3HG2 VAL 75 -6.349 -23.554 -14.900 535 H VAL 76 H VAL 76 -3.534 -20.093 -12.539 536 HA VAL 76 HA VAL 76 -2.102 -18.427 -14.439 537 HB VAL 76 HB VAL 76 -2.278 -18.271 -11.422 538 1HG1 VAL 76 1HG1 VAL 76 -1.283 -16.063 -11.653 539 2HG1 VAL 76 2HG1 VAL 76 -1.098 -16.327 -13.389 540 3HG1 VAL 76 3HG1 VAL 76 -0.201 -17.325 -12.245 541 1HG2 VAL 76 1HG2 VAL 76 -4.401 -17.812 -12.510 542 2HG2 VAL 76 2HG2 VAL 76 -3.621 -16.642 -13.572 543 3HG2 VAL 76 3HG2 VAL 76 -3.720 -16.331 -11.839 544 H LYS 77 H LYS 77 -0.464 -19.601 -15.243 545 HA LYS 77 HA LYS 77 1.184 -21.119 -13.342 546 1HB LYS 77 1HB LYS 77 1.927 -22.421 -15.389 547 2HB LYS 77 2HB LYS 77 0.279 -22.661 -14.841 548 1HG LYS 77 1HG LYS 77 0.139 -22.552 -17.168 549 2HG LYS 77 2HG LYS 77 -0.392 -20.965 -16.612 550 1HD LYS 77 1HD LYS 77 1.656 -19.960 -17.230 551 2HD LYS 77 2HD LYS 77 2.441 -21.527 -17.440 552 1HE LYS 77 1HE LYS 77 0.151 -20.509 -19.116 553 2HE LYS 77 2HE LYS 77 1.849 -20.412 -19.581 554 1HZ LYS 77 1HZ LYS 77 0.651 -22.337 -20.540 555 2HZ LYS 77 2HZ LYS 77 0.439 -22.961 -18.981 556 3HZ LYS 77 3HZ LYS 77 1.998 -22.779 -19.616 557 H VAL 78 H VAL 78 3.408 -21.110 -13.440 558 HA VAL 78 HA VAL 78 4.658 -18.690 -13.714 559 HB VAL 78 HB VAL 78 5.750 -20.388 -12.465 560 1HG1 VAL 78 1HG1 VAL 78 4.926 -22.349 -13.632 561 2HG1 VAL 78 2HG1 VAL 78 6.679 -22.431 -13.461 562 3HG1 VAL 78 3HG1 VAL 78 5.964 -21.989 -15.011 563 1HG2 VAL 78 1HG2 VAL 78 7.275 -18.807 -13.497 564 2HG2 VAL 78 2HG2 VAL 78 7.393 -19.824 -14.932 565 3HG2 VAL 78 3HG2 VAL 78 8.026 -20.398 -13.389 566 H GLY 79 H GLY 79 4.267 -17.579 -15.521 567 1HA GLY 79 1HA GLY 79 5.759 -17.113 -17.577 568 2HA GLY 79 2HA GLY 79 5.175 -18.691 -18.096 569 H THR 80 H THR 80 2.889 -17.208 -16.299 570 HA THR 80 HA THR 80 1.063 -16.779 -18.421 571 HB THR 80 HB THR 80 0.881 -15.640 -15.622 572 HG1 THR 80 HG1 THR 80 0.964 -17.978 -15.779 573 1HG2 THR 80 1HG2 THR 80 -1.238 -16.032 -17.739 574 2HG2 THR 80 2HG2 THR 80 -0.578 -14.483 -17.215 575 3HG2 THR 80 3HG2 THR 80 -1.522 -15.466 -16.093 576 H LYS 81 H LYS 81 1.542 -15.418 -19.899 577 HA LYS 81 HA LYS 81 2.872 -12.911 -19.234 578 1HB LYS 81 1HB LYS 81 3.811 -14.174 -21.069 579 2HB LYS 81 2HB LYS 81 2.277 -14.137 -21.928 580 1HG LYS 81 1HG LYS 81 2.479 -11.643 -21.998 581 2HG LYS 81 2HG LYS 81 4.102 -11.822 -21.335 582 1HD LYS 81 1HD LYS 81 4.090 -11.569 -23.783 583 2HD LYS 81 2HD LYS 81 4.796 -13.097 -23.261 584 1HE LYS 81 1HE LYS 81 1.898 -12.948 -23.981 585 2HE LYS 81 2HE LYS 81 3.113 -13.045 -25.254 586 1HZ LYS 81 1HZ LYS 81 2.387 -15.238 -24.751 587 2HZ LYS 81 2HZ LYS 81 2.617 -15.018 -23.089 588 3HZ LYS 81 3HZ LYS 81 3.957 -15.083 -24.126 589 H VAL 82 H VAL 82 1.640 -11.260 -18.667 590 HA VAL 82 HA VAL 82 -0.692 -10.670 -20.344 591 HB VAL 82 HB VAL 82 -0.480 -10.147 -17.374 592 1HG1 VAL 82 1HG1 VAL 82 -2.742 -9.690 -19.312 593 2HG1 VAL 82 2HG1 VAL 82 -1.752 -8.447 -18.546 594 3HG1 VAL 82 3HG1 VAL 82 -2.822 -9.453 -17.567 595 1HG2 VAL 82 1HG2 VAL 82 -2.266 -11.810 -17.136 596 2HG2 VAL 82 2HG2 VAL 82 -0.801 -12.519 -17.814 597 3HG2 VAL 82 3HG2 VAL 82 -2.171 -12.153 -18.863 598 H LYS 83 H LYS 83 -0.348 -8.874 -21.418 599 HA LYS 83 HA LYS 83 1.516 -6.914 -20.329 600 1HB LYS 83 1HB LYS 83 1.653 -6.042 -22.662 601 2HB LYS 83 2HB LYS 83 2.234 -7.691 -22.464 602 1HG LYS 83 1HG LYS 83 0.045 -8.495 -23.324 603 2HG LYS 83 2HG LYS 83 -0.391 -6.812 -23.644 604 1HD LYS 83 1HD LYS 83 1.499 -6.579 -25.146 605 2HD LYS 83 2HD LYS 83 2.020 -8.224 -24.783 606 1HE LYS 83 1HE LYS 83 -0.096 -9.069 -25.726 607 2HE LYS 83 2HE LYS 83 -0.548 -7.416 -26.141 608 1HZ LYS 83 1HZ LYS 83 1.311 -7.267 -27.627 609 2HZ LYS 83 2HZ LYS 83 0.436 -8.670 -28.009 610 3HZ LYS 83 3HZ LYS 83 1.888 -8.788 -27.146 611 H ASN 84 H ASN 84 1.177 -4.732 -20.739 612 HA ASN 84 HA ASN 84 0.061 -2.759 -20.810 613 1HB ASN 84 1HB ASN 84 -1.214 -4.271 -22.713 614 2HB ASN 84 2HB ASN 84 -2.547 -3.769 -21.675 615 1HD2 ASN 84 1HD2 ASN 84 -0.023 -2.754 -23.796 616 2HD2 ASN 84 2HD2 ASN 84 -0.557 -1.122 -24.004 617 H ILE 85 H ILE 85 0.131 -4.181 -18.347 618 HA ILE 85 HA ILE 85 -2.315 -4.408 -17.056 619 HB ILE 85 HB ILE 85 -0.940 -4.309 -15.021 620 1HG1 ILE 85 1HG1 ILE 85 1.415 -3.776 -16.840 621 2HG1 ILE 85 2HG1 ILE 85 0.580 -2.484 -15.989 622 1HG2 ILE 85 1HG2 ILE 85 -1.078 -6.393 -16.284 623 2HG2 ILE 85 2HG2 ILE 85 0.511 -6.215 -15.539 624 3HG2 ILE 85 3HG2 ILE 85 0.306 -5.902 -17.263 625 1HD1 ILE 85 1HD1 ILE 85 2.562 -3.131 -14.789 626 2HD1 ILE 85 2HD1 ILE 85 2.024 -4.810 -14.743 627 3HD1 ILE 85 3HD1 ILE 85 1.133 -3.574 -13.856 628 H ARG 86 H ARG 86 -2.430 -3.155 -14.870 629 HA ARG 86 HA ARG 86 -2.204 -0.253 -15.226 630 1HB ARG 86 1HB ARG 86 -4.488 -0.604 -15.671 631 2HB ARG 86 2HB ARG 86 -4.621 -1.882 -14.484 632 1HG ARG 86 1HG ARG 86 -5.812 0.168 -13.845 633 2HG ARG 86 2HG ARG 86 -4.570 -0.295 -12.687 634 1HD ARG 86 1HD ARG 86 -4.793 2.185 -13.333 635 2HD ARG 86 2HD ARG 86 -3.185 1.471 -13.272 636 HE ARG 86 HE ARG 86 -3.023 1.628 -15.579 637 1HH1 ARG 86 1HH1 ARG 86 -6.216 2.623 -14.505 638 2HH1 ARG 86 2HH1 ARG 86 -6.581 3.474 -15.980 639 1HH2 ARG 86 1HH2 ARG 86 -3.480 2.747 -17.487 640 2HH2 ARG 86 2HH2 ARG 86 -5.004 3.570 -17.678 641 H LEU 87 H LEU 87 -1.054 0.592 -13.559 642 HA LEU 87 HA LEU 87 -0.448 -1.001 -11.249 643 1HB LEU 87 1HB LEU 87 0.120 1.924 -11.758 644 2HB LEU 87 2HB LEU 87 0.872 0.917 -10.538 645 HG LEU 87 HG LEU 87 1.202 0.607 -13.524 646 1HD1 LEU 87 1HD1 LEU 87 3.117 1.587 -11.410 647 2HD1 LEU 87 2HD1 LEU 87 2.332 2.578 -12.639 648 3HD1 LEU 87 3HD1 LEU 87 3.496 1.341 -13.115 649 1HD2 LEU 87 1HD2 LEU 87 2.489 -0.892 -11.245 650 2HD2 LEU 87 2HD2 LEU 87 2.917 -1.048 -12.948 651 3HD2 LEU 87 3HD2 LEU 87 1.319 -1.544 -12.392 652 H VAL 88 H VAL 88 -1.714 -1.163 -9.525 653 HA VAL 88 HA VAL 88 -3.934 0.687 -9.204 654 HB VAL 88 HB VAL 88 -3.593 -1.467 -7.217 655 1HG1 VAL 88 1HG1 VAL 88 -5.611 -0.108 -7.360 656 2HG1 VAL 88 2HG1 VAL 88 -5.964 -1.805 -7.685 657 3HG1 VAL 88 3HG1 VAL 88 -5.869 -0.654 -9.018 658 1HG2 VAL 88 1HG2 VAL 88 -2.700 -2.694 -9.055 659 2HG2 VAL 88 2HG2 VAL 88 -3.949 -2.086 -10.148 660 3HG2 VAL 88 3HG2 VAL 88 -4.378 -3.204 -8.851 661 H ASP 89 H ASP 89 -4.506 1.130 -6.769 662 HA ASP 89 HA ASP 89 -2.636 2.990 -5.829 663 1HB ASP 89 1HB ASP 89 -4.972 1.717 -4.388 664 2HB ASP 89 2HB ASP 89 -4.076 3.112 -3.797 665 H GLY 90 H GLY 90 -3.441 -0.243 -4.626 666 1HA GLY 90 1HA GLY 90 -1.311 -0.107 -2.653 667 2HA GLY 90 2HA GLY 90 -2.402 -1.461 -2.913 668 H ASP 91 H ASP 91 0.691 -0.870 -2.865 669 HA ASP 91 HA ASP 91 1.815 -1.732 -5.264 670 1HB ASP 91 1HB ASP 91 3.257 -0.874 -3.563 671 2HB ASP 91 2HB ASP 91 2.722 -2.085 -2.404 672 H HIS 92 H HIS 92 0.306 -3.512 -2.694 673 HA HIS 92 HA HIS 92 0.983 -6.101 -3.765 674 1HB HIS 92 1HB HIS 92 -0.782 -5.196 -1.498 675 2HB HIS 92 2HB HIS 92 -0.700 -6.881 -2.004 676 HD1 HIS 92 HD1 HIS 92 0.891 -4.508 0.216 677 HD2 HIS 92 HD2 HIS 92 2.065 -7.922 -1.854 678 HE1 HIS 92 HE1 HIS 92 3.015 -5.280 1.325 679 HE2 HIS 92 HE2 HIS 92 3.619 -7.437 0.158 680 H ASP 93 H ASP 93 0.010 -5.158 -5.909 681 HA ASP 93 HA ASP 93 -2.531 -6.163 -6.434 682 1HB ASP 93 1HB ASP 93 -2.590 -3.542 -5.282 683 2HB ASP 93 2HB ASP 93 -3.188 -3.486 -6.937 684 H ILE 94 H ILE 94 -2.907 -6.357 -8.518 685 HA ILE 94 HA ILE 94 -1.621 -4.549 -10.421 686 HB ILE 94 HB ILE 94 -1.387 -7.559 -10.591 687 1HG1 ILE 94 1HG1 ILE 94 0.852 -5.552 -10.475 688 2HG1 ILE 94 2HG1 ILE 94 0.152 -6.245 -9.016 689 1HG2 ILE 94 1HG2 ILE 94 -1.766 -6.559 -12.783 690 2HG2 ILE 94 2HG2 ILE 94 -0.109 -7.150 -12.643 691 3HG2 ILE 94 3HG2 ILE 94 -0.446 -5.423 -12.504 692 1HD1 ILE 94 1HD1 ILE 94 2.163 -7.406 -9.674 693 2HD1 ILE 94 2HD1 ILE 94 1.451 -7.776 -11.245 694 3HD1 ILE 94 3HD1 ILE 94 0.756 -8.464 -9.777 695 H ASP 95 H ASP 95 -3.216 -3.866 -11.770 696 HA ASP 95 HA ASP 95 -5.391 -5.759 -12.281 697 1HB ASP 95 1HB ASP 95 -5.720 -3.286 -11.514 698 2HB ASP 95 2HB ASP 95 -5.375 -2.895 -13.195 699 H CYS 96 H CYS 96 -5.841 -6.455 -14.338 700 HA CYS 96 HA CYS 96 -4.297 -5.490 -16.570 701 1HB CYS 96 1HB CYS 96 -3.221 -7.652 -17.062 702 2HB CYS 96 2HB CYS 96 -2.660 -6.981 -15.535 703 HG CYS 96 HG CYS 96 -4.892 -8.690 -14.337 704 H LYS 97 H LYS 97 -4.879 -6.723 -18.589 705 HA LYS 97 HA LYS 97 -7.590 -7.815 -18.300 706 1HB LYS 97 1HB LYS 97 -8.245 -6.915 -20.339 707 2HB LYS 97 2HB LYS 97 -7.217 -5.648 -19.691 708 1HG LYS 97 1HG LYS 97 -6.144 -7.721 -21.571 709 2HG LYS 97 2HG LYS 97 -6.971 -6.281 -22.159 710 1HD LYS 97 1HD LYS 97 -5.329 -4.848 -21.242 711 2HD LYS 97 2HD LYS 97 -4.632 -6.147 -20.272 712 1HE LYS 97 1HE LYS 97 -3.349 -5.479 -22.354 713 2HE LYS 97 2HE LYS 97 -3.692 -7.196 -22.156 714 1HZ LYS 97 1HZ LYS 97 -5.583 -5.568 -23.697 715 2HZ LYS 97 2HZ LYS 97 -5.153 -7.202 -23.885 716 3HZ LYS 97 3HZ LYS 97 -4.105 -5.977 -24.417 717 H ILE 98 H ILE 98 -7.981 -9.808 -19.003 718 HA ILE 98 HA ILE 98 -5.814 -11.236 -20.378 719 HB ILE 98 HB ILE 98 -8.340 -12.573 -19.499 720 1HG1 ILE 98 1HG1 ILE 98 -7.373 -11.170 -17.577 721 2HG1 ILE 98 2HG1 ILE 98 -7.646 -12.880 -17.273 722 1HG2 ILE 98 1HG2 ILE 98 -6.882 -14.501 -19.300 723 2HG2 ILE 98 2HG2 ILE 98 -5.473 -13.492 -19.627 724 3HG2 ILE 98 3HG2 ILE 98 -6.686 -13.743 -20.884 725 1HD1 ILE 98 1HD1 ILE 98 -5.300 -13.330 -17.559 726 2HD1 ILE 98 2HD1 ILE 98 -5.548 -12.085 -16.331 727 3HD1 ILE 98 3HD1 ILE 98 -4.996 -11.636 -17.949 728 H ASP 99 H ASP 99 -6.046 -10.617 -22.462 729 HA ASP 99 HA ASP 99 -8.358 -10.113 -23.877 730 1HB ASP 99 1HB ASP 99 -5.714 -11.246 -24.771 731 2HB ASP 99 2HB ASP 99 -6.993 -10.813 -25.904 732 H GLY 100 H GLY 100 -10.087 -11.390 -23.900 733 1HA GLY 100 1HA GLY 100 -10.809 -13.450 -25.219 734 2HA GLY 100 2HA GLY 100 -9.674 -14.287 -24.170 735 H ILE 101 H ILE 101 -10.082 -13.530 -21.721 736 HA ILE 101 HA ILE 101 -12.842 -14.376 -21.245 737 HB ILE 101 HB ILE 101 -12.076 -14.795 -18.905 738 1HG1 ILE 101 1HG1 ILE 101 -9.326 -14.234 -20.035 739 2HG1 ILE 101 2HG1 ILE 101 -10.199 -13.139 -18.972 740 1HG2 ILE 101 1HG2 ILE 101 -10.789 -16.797 -19.459 741 2HG2 ILE 101 2HG2 ILE 101 -10.498 -16.168 -21.078 742 3HG2 ILE 101 3HG2 ILE 101 -12.137 -16.576 -20.572 743 1HD1 ILE 101 1HD1 ILE 101 -8.502 -14.430 -17.783 744 2HD1 ILE 101 2HD1 ILE 101 -9.314 -15.926 -18.264 745 3HD1 ILE 101 3HD1 ILE 101 -10.130 -14.788 -17.193 746 H GLY 102 H GLY 102 -10.605 -11.796 -20.316 747 1HA GLY 102 1HA GLY 102 -12.073 -9.626 -20.058 748 2HA GLY 102 2HA GLY 102 -12.697 -10.539 -18.687 749 H ALA 103 H ALA 103 -11.809 -8.654 -17.428 750 HA ALA 103 HA ALA 103 -8.903 -8.456 -17.395 751 1HB ALA 103 1HB ALA 103 -9.239 -6.544 -15.927 752 2HB ALA 103 2HB ALA 103 -10.966 -6.894 -15.842 753 3HB ALA 103 3HB ALA 103 -10.240 -6.401 -17.372 754 H MET 104 H MET 104 -7.628 -8.796 -15.528 755 HA MET 104 HA MET 104 -8.901 -10.214 -13.306 756 1HB MET 104 1HB MET 104 -8.176 -11.939 -14.914 757 2HB MET 104 2HB MET 104 -6.541 -11.296 -14.859 758 1HG MET 104 1HG MET 104 -6.288 -11.941 -12.577 759 2HG MET 104 2HG MET 104 -7.988 -12.390 -12.459 760 1HE MET 104 1HE MET 104 -8.405 -13.877 -15.275 761 2HE MET 104 2HE MET 104 -9.043 -14.479 -13.746 762 3HE MET 104 3HE MET 104 -8.117 -15.551 -14.796 763 H LYS 105 H LYS 105 -7.497 -10.388 -11.416 764 HA LYS 105 HA LYS 105 -5.494 -8.234 -11.344 765 1HB LYS 105 1HB LYS 105 -7.313 -9.205 -9.133 766 2HB LYS 105 2HB LYS 105 -6.166 -7.874 -9.018 767 1HG LYS 105 1HG LYS 105 -7.466 -6.458 -10.241 768 2HG LYS 105 2HG LYS 105 -8.206 -7.764 -11.170 769 1HD LYS 105 1HD LYS 105 -9.464 -8.429 -9.158 770 2HD LYS 105 2HD LYS 105 -8.787 -7.039 -8.303 771 1HE LYS 105 1HE LYS 105 -10.544 -6.964 -10.755 772 2HE LYS 105 2HE LYS 105 -11.021 -6.534 -9.115 773 1HZ LYS 105 1HZ LYS 105 -10.590 -4.528 -10.221 774 2HZ LYS 105 2HZ LYS 105 -9.142 -5.094 -10.904 775 3HZ LYS 105 3HZ LYS 105 -9.232 -4.784 -9.240 776 H LEU 106 H LEU 106 -3.558 -8.627 -10.336 777 HA LEU 106 HA LEU 106 -3.001 -11.435 -9.670 778 1HB LEU 106 1HB LEU 106 -1.093 -9.571 -11.052 779 2HB LEU 106 2HB LEU 106 -0.985 -11.314 -10.902 780 HG LEU 106 HG LEU 106 -3.116 -9.907 -12.523 781 1HD1 LEU 106 1HD1 LEU 106 -0.499 -11.123 -13.389 782 2HD1 LEU 106 2HD1 LEU 106 -0.924 -9.410 -13.421 783 3HD1 LEU 106 3HD1 LEU 106 -1.773 -10.551 -14.467 784 1HD2 LEU 106 1HD2 LEU 106 -3.416 -12.124 -13.520 785 2HD2 LEU 106 2HD2 LEU 106 -3.706 -12.163 -11.781 786 3HD2 LEU 106 3HD2 LEU 106 -2.191 -12.786 -12.436 787 H LYS 107 H LYS 107 -1.546 -11.805 -8.097 788 HA LYS 107 HA LYS 107 -0.916 -9.648 -6.293 789 1HB LYS 107 1HB LYS 107 -1.524 -12.147 -5.703 790 2HB LYS 107 2HB LYS 107 0.211 -12.373 -5.883 791 1HG LYS 107 1HG LYS 107 -0.246 -11.984 -3.580 792 2HG LYS 107 2HG LYS 107 0.570 -10.560 -4.230 793 1HD LYS 107 1HD LYS 107 -1.687 -9.519 -4.538 794 2HD LYS 107 2HD LYS 107 -2.372 -10.893 -3.670 795 1HE LYS 107 1HE LYS 107 -0.372 -8.901 -2.612 796 2HE LYS 107 2HE LYS 107 -2.070 -9.026 -2.160 797 1HZ LYS 107 1HZ LYS 107 -1.556 -11.301 -1.331 798 2HZ LYS 107 2HZ LYS 107 -0.788 -10.054 -0.473 799 3HZ LYS 107 3HZ LYS 107 0.094 -10.979 -1.590 800 H SER 108 H SER 108 0.802 -8.484 -6.331 801 HA SER 108 HA SER 108 2.753 -8.491 -8.240 802 1HB SER 108 1HB SER 108 3.405 -7.518 -5.496 803 2HB SER 108 2HB SER 108 3.615 -6.712 -7.055 804 HG SER 108 HG SER 108 1.908 -5.706 -6.146 805 H GLU 109 H GLU 109 2.843 -10.027 -5.049 806 HA GLU 109 HA GLU 109 5.533 -10.754 -5.066 807 1HB GLU 109 1HB GLU 109 4.913 -12.249 -3.230 808 2HB GLU 109 2HB GLU 109 4.171 -10.665 -3.046 809 1HG GLU 109 1HG GLU 109 2.122 -11.666 -4.142 810 2HG GLU 109 2HG GLU 109 2.887 -13.233 -3.893 811 H PHE 110 H PHE 110 2.992 -12.004 -6.977 812 HA PHE 110 HA PHE 110 4.513 -14.490 -7.317 813 1HB PHE 110 1HB PHE 110 1.644 -13.776 -7.871 814 2HB PHE 110 2HB PHE 110 2.368 -15.259 -8.462 815 HD1 PHE 110 HD1 PHE 110 3.841 -16.429 -6.426 816 HD2 PHE 110 HD2 PHE 110 0.330 -14.070 -6.025 817 HE1 PHE 110 HE1 PHE 110 3.368 -17.505 -4.264 818 HE2 PHE 110 HE2 PHE 110 -0.149 -15.127 -3.860 819 HZ PHE 110 HZ PHE 110 1.372 -16.854 -2.976 820 H VAL 111 H VAL 111 4.473 -11.527 -8.715 821 HA VAL 111 HA VAL 111 4.505 -12.641 -11.447 822 HB VAL 111 HB VAL 111 3.887 -10.496 -12.331 823 1HG1 VAL 111 1HG1 VAL 111 2.123 -11.255 -10.006 824 2HG1 VAL 111 2HG1 VAL 111 2.073 -11.950 -11.626 825 3HG1 VAL 111 3HG1 VAL 111 1.641 -10.258 -11.379 826 1HG2 VAL 111 1HG2 VAL 111 3.371 -8.590 -10.872 827 2HG2 VAL 111 2HG2 VAL 111 5.069 -9.055 -10.781 828 3HG2 VAL 111 3HG2 VAL 111 3.960 -9.504 -9.484 829 H ARG 112 H ARG 112 5.775 -11.293 -13.008 830 HA ARG 112 HA ARG 112 8.237 -10.152 -11.958 831 1HB ARG 112 1HB ARG 112 9.038 -12.339 -12.191 832 2HB ARG 112 2HB ARG 112 8.044 -12.656 -13.606 833 1HG ARG 112 1HG ARG 112 9.508 -11.637 -15.041 834 2HG ARG 112 2HG ARG 112 10.186 -10.593 -13.790 835 1HD ARG 112 1HD ARG 112 11.208 -12.657 -12.775 836 2HD ARG 112 2HD ARG 112 10.689 -13.536 -14.208 837 HE ARG 112 HE ARG 112 12.174 -11.257 -14.971 838 1HH1 ARG 112 1HH1 ARG 112 12.593 -14.438 -13.545 839 2HH1 ARG 112 2HH1 ARG 112 14.245 -14.592 -14.077 840 1HH2 ARG 112 1HH2 ARG 112 14.329 -11.454 -15.663 841 2HH2 ARG 112 2HH2 ARG 112 15.230 -12.899 -15.297 842 H LYS 113 H LYS 113 8.968 -8.507 -13.204 843 HA LYS 113 HA LYS 113 7.519 -7.622 -15.461 844 1HB LYS 113 1HB LYS 113 8.849 -6.118 -13.998 845 2HB LYS 113 2HB LYS 113 10.322 -6.846 -14.633 846 1HG LYS 113 1HG LYS 113 9.711 -6.100 -16.892 847 2HG LYS 113 2HG LYS 113 8.261 -5.341 -16.238 848 1HD LYS 113 1HD LYS 113 9.681 -3.880 -14.852 849 2HD LYS 113 2HD LYS 113 11.115 -4.618 -15.574 850 1HE LYS 113 1HE LYS 113 10.343 -3.888 -17.795 851 2HE LYS 113 2HE LYS 113 8.957 -3.106 -17.041 852 1HZ LYS 113 1HZ LYS 113 10.668 -1.499 -17.485 853 2HZ LYS 113 2HZ LYS 113 11.816 -2.408 -16.635 854 3HZ LYS 113 3HZ LYS 113 10.523 -1.684 -15.806 855 H VAL 114 H VAL 114 7.546 -8.460 -17.419 856 HA VAL 114 HA VAL 114 9.573 -10.263 -18.322 857 HB VAL 114 HB VAL 114 7.507 -8.863 -20.025 858 1HG1 VAL 114 1HG1 VAL 114 7.750 -10.817 -21.483 859 2HG1 VAL 114 2HG1 VAL 114 9.000 -11.454 -20.415 860 3HG1 VAL 114 3HG1 VAL 114 9.273 -9.950 -21.293 861 1HG2 VAL 114 1HG2 VAL 114 6.097 -10.835 -19.683 862 2HG2 VAL 114 2HG2 VAL 114 6.393 -9.959 -18.180 863 3HG2 VAL 114 3HG2 VAL 114 7.266 -11.455 -18.516 864 H GLY 115 H GLY 115 8.684 -6.916 -19.067 865 1HA GLY 115 1HA GLY 115 9.924 -5.216 -20.005 866 2HA GLY 115 2HA GLY 115 11.354 -6.225 -19.810 867 H SER 116 H SER 116 8.347 -6.660 -21.618 868 HA SER 116 HA SER 116 9.825 -6.663 -24.128 869 1HB SER 116 1HB SER 116 9.818 -9.011 -23.341 870 2HB SER 116 2HB SER 116 8.062 -8.961 -23.232 871 HG SER 116 HG SER 116 9.683 -8.805 -25.561 Start of MODEL 16 1 H MET 1 H MET 1 -9.620 14.578 20.757 2 HA MET 1 HA MET 1 -7.689 15.042 19.436 3 1HB MET 1 1HB MET 1 -6.453 16.414 21.113 4 2HB MET 1 2HB MET 1 -8.197 16.615 21.188 5 1HG MET 1 1HG MET 1 -7.504 16.491 23.413 6 2HG MET 1 2HG MET 1 -8.166 14.898 23.055 7 1HE MET 1 1HE MET 1 -7.067 13.447 24.841 8 2HE MET 1 2HE MET 1 -6.635 14.985 25.593 9 3HE MET 1 3HE MET 1 -5.427 13.709 25.436 10 H VAL 2 H VAL 2 -7.418 12.322 21.179 11 HA VAL 2 HA VAL 2 -4.518 12.180 21.096 12 HB VAL 2 HB VAL 2 -5.694 11.234 23.046 13 1HG1 VAL 2 1HG1 VAL 2 -6.925 9.128 22.853 14 2HG1 VAL 2 2HG1 VAL 2 -6.795 9.216 21.096 15 3HG1 VAL 2 3HG1 VAL 2 -7.721 10.434 21.975 16 1HG2 VAL 2 1HG2 VAL 2 -4.219 9.209 21.377 17 2HG2 VAL 2 2HG2 VAL 2 -4.506 9.090 23.113 18 3HG2 VAL 2 3HG2 VAL 2 -3.503 10.391 22.472 19 H SER 3 H SER 3 -3.391 11.264 19.532 20 HA SER 3 HA SER 3 -2.817 10.194 17.629 21 1HB SER 3 1HB SER 3 -5.098 8.363 18.390 22 2HB SER 3 2HB SER 3 -3.819 7.984 17.236 23 HG SER 3 HG SER 3 -3.170 7.114 19.145 24 H THR 4 H THR 4 -4.712 12.365 17.388 25 HA THR 4 HA THR 4 -6.525 11.587 15.275 26 HB THR 4 HB THR 4 -7.143 13.993 15.266 27 HG1 THR 4 HG1 THR 4 -5.894 15.402 16.250 28 1HG2 THR 4 1HG2 THR 4 -8.066 14.007 17.573 29 2HG2 THR 4 2HG2 THR 4 -7.049 12.608 17.943 30 3HG2 THR 4 3HG2 THR 4 -8.322 12.480 16.727 31 H LEU 5 H LEU 5 -3.574 13.478 15.658 32 HA LEU 5 HA LEU 5 -3.295 13.712 12.767 33 1HB LEU 5 1HB LEU 5 -1.344 14.608 14.894 34 2HB LEU 5 2HB LEU 5 -1.385 15.093 13.209 35 HG LEU 5 HG LEU 5 -3.535 15.776 15.217 36 1HD1 LEU 5 1HD1 LEU 5 -1.435 16.850 15.811 37 2HD1 LEU 5 2HD1 LEU 5 -2.590 18.028 15.185 38 3HD1 LEU 5 3HD1 LEU 5 -1.268 17.460 14.164 39 1HD2 LEU 5 1HD2 LEU 5 -3.006 16.772 12.420 40 2HD2 LEU 5 2HD2 LEU 5 -4.263 17.363 13.506 41 3HD2 LEU 5 3HD2 LEU 5 -4.320 15.703 12.912 42 HA PRO 6 HA PRO 6 -0.632 10.169 12.575 43 1HB PRO 6 1HB PRO 6 0.829 10.757 10.386 44 2HB PRO 6 2HB PRO 6 -0.883 10.324 10.279 45 1HG PRO 6 1HG PRO 6 0.391 13.031 10.248 46 2HG PRO 6 2HG PRO 6 -0.895 12.396 9.208 47 1HD PRO 6 1HD PRO 6 -1.391 13.998 11.341 48 2HD PRO 6 2HD PRO 6 -2.527 12.747 10.802 49 HA PRO 7 HA PRO 7 3.104 11.293 14.624 50 1HB PRO 7 1HB PRO 7 4.437 8.927 13.557 51 2HB PRO 7 2HB PRO 7 3.905 9.255 15.207 52 1HG PRO 7 1HG PRO 7 2.723 7.399 13.625 53 2HG PRO 7 2HG PRO 7 1.845 8.301 14.873 54 1HD PRO 7 1HD PRO 7 1.918 8.745 11.911 55 2HD PRO 7 2HD PRO 7 0.543 8.835 13.033 56 H CYS 8 H CYS 8 5.668 10.694 14.002 57 HA CYS 8 HA CYS 8 6.160 12.437 11.711 58 1HB CYS 8 1HB CYS 8 7.230 13.262 13.635 59 2HB CYS 8 2HB CYS 8 7.736 11.659 14.148 60 HA PRO 9 HA PRO 9 7.394 8.870 9.374 61 1HB PRO 9 1HB PRO 9 8.525 10.147 7.273 62 2HB PRO 9 2HB PRO 9 6.774 10.075 7.513 63 1HG PRO 9 1HG PRO 9 8.689 12.276 8.211 64 2HG PRO 9 2HG PRO 9 7.110 12.384 7.408 65 1HD PRO 9 1HD PRO 9 7.406 12.916 10.027 66 2HD PRO 9 2HD PRO 9 5.943 12.142 9.391 67 H GLN 10 H GLN 10 9.413 10.740 11.150 68 HA GLN 10 HA GLN 10 11.761 9.284 10.223 69 1HB GLN 10 1HB GLN 10 12.001 11.630 9.747 70 2HB GLN 10 2HB GLN 10 11.572 12.041 11.403 71 1HG GLN 10 1HG GLN 10 13.575 11.094 12.236 72 2HG GLN 10 2HG GLN 10 13.977 10.419 10.654 73 1HE2 GLN 10 1HE2 GLN 10 12.527 13.513 10.976 74 2HE2 GLN 10 2HE2 GLN 10 13.897 14.442 10.531 75 H CYS 11 H CYS 11 9.894 10.458 13.108 76 HA CYS 11 HA CYS 11 11.694 8.888 14.778 77 1HB CYS 11 1HB CYS 11 9.514 10.846 15.565 78 2HB CYS 11 2HB CYS 11 10.678 10.093 16.643 79 H ASN 12 H ASN 12 8.315 9.503 13.952 80 HA ASN 12 HA ASN 12 6.379 8.351 14.173 81 1HB ASN 12 1HB ASN 12 8.070 6.532 13.278 82 2HB ASN 12 2HB ASN 12 7.827 5.833 14.873 83 1HD2 ASN 12 1HD2 ASN 12 7.112 4.841 12.236 84 2HD2 ASN 12 2HD2 ASN 12 5.404 4.558 12.265 85 H SER 13 H SER 13 8.496 8.802 16.584 86 HA SER 13 HA SER 13 7.761 7.500 18.837 87 1HB SER 13 1HB SER 13 8.346 9.658 20.062 88 2HB SER 13 2HB SER 13 9.563 9.031 18.950 89 HG SER 13 HG SER 13 9.369 11.203 18.529 90 H GLU 14 H GLU 14 6.476 10.797 18.415 91 HA GLU 14 HA GLU 14 3.771 10.382 18.714 92 1HB GLU 14 1HB GLU 14 3.372 10.596 21.131 93 2HB GLU 14 2HB GLU 14 4.264 9.128 20.757 94 1HG GLU 14 1HG GLU 14 6.363 10.369 21.358 95 2HG GLU 14 2HG GLU 14 5.334 11.675 21.942 96 H TYR 15 H TYR 15 6.555 12.310 19.222 97 HA TYR 15 HA TYR 15 5.262 14.592 20.357 98 1HB TYR 15 1HB TYR 15 8.036 14.125 19.272 99 2HB TYR 15 2HB TYR 15 7.514 15.682 19.902 100 HD1 TYR 15 HD1 TYR 15 7.295 16.058 22.251 101 HD2 TYR 15 HD2 TYR 15 8.243 12.177 20.788 102 HE1 TYR 15 HE1 TYR 15 7.902 15.355 24.526 103 HE2 TYR 15 HE2 TYR 15 8.850 11.464 23.061 104 HH TYR 15 HH TYR 15 9.589 12.473 25.164 105 H THR 16 H THR 16 4.055 13.844 17.909 106 HA THR 16 HA THR 16 4.839 16.006 16.096 107 HB THR 16 HB THR 16 2.805 13.854 15.542 108 HG1 THR 16 HG1 THR 16 5.469 13.570 16.009 109 1HG2 THR 16 1HG2 THR 16 4.720 15.392 13.792 110 2HG2 THR 16 2HG2 THR 16 2.994 15.719 13.953 111 3HG2 THR 16 3HG2 THR 16 3.544 14.203 13.237 112 H TYR 17 H TYR 17 3.347 17.580 15.451 113 HA TYR 17 HA TYR 17 0.704 17.667 16.562 114 1HB TYR 17 1HB TYR 17 0.936 19.554 17.970 115 2HB TYR 17 2HB TYR 17 2.270 18.501 18.410 116 HD1 TYR 17 HD1 TYR 17 4.604 19.129 17.795 117 HD2 TYR 17 HD2 TYR 17 1.310 21.707 16.990 118 HE1 TYR 17 HE1 TYR 17 6.150 21.011 17.486 119 HE2 TYR 17 HE2 TYR 17 2.853 23.589 16.671 120 HH TYR 17 HH TYR 17 5.056 24.284 17.241 121 H GLU 18 H GLU 18 -0.215 20.052 15.981 122 HA GLU 18 HA GLU 18 0.596 20.439 13.188 123 1HB GLU 18 1HB GLU 18 -1.691 21.502 12.988 124 2HB GLU 18 2HB GLU 18 -1.679 19.775 13.319 125 1HG GLU 18 1HG GLU 18 -2.153 20.189 15.656 126 2HG GLU 18 2HG GLU 18 -2.073 21.928 15.386 127 H ASP 19 H ASP 19 1.693 22.233 12.708 128 HA ASP 19 HA ASP 19 1.129 24.688 14.214 129 1HB ASP 19 1HB ASP 19 3.427 23.896 14.606 130 2HB ASP 19 2HB ASP 19 3.706 23.849 12.869 131 H GLY 20 H GLY 20 -0.572 25.174 12.743 132 1HA GLY 20 1HA GLY 20 -1.094 26.759 11.080 133 2HA GLY 20 2HA GLY 20 0.475 26.469 10.348 134 H ALA 21 H ALA 21 0.495 25.370 8.530 135 HA ALA 21 HA ALA 21 -2.016 24.060 7.710 136 1HB ALA 21 1HB ALA 21 -1.380 26.030 6.412 137 2HB ALA 21 2HB ALA 21 -1.360 24.571 5.421 138 3HB ALA 21 3HB ALA 21 0.154 25.264 6.003 139 H LEU 22 H LEU 22 0.435 22.908 9.128 140 HA LEU 22 HA LEU 22 0.514 20.483 7.613 141 1HB LEU 22 1HB LEU 22 2.792 20.344 7.117 142 2HB LEU 22 2HB LEU 22 2.322 21.946 6.586 143 HG LEU 22 HG LEU 22 3.754 21.346 9.179 144 1HD1 LEU 22 1HD1 LEU 22 5.707 22.322 8.047 145 2HD1 LEU 22 2HD1 LEU 22 4.788 22.365 6.543 146 3HD1 LEU 22 3HD1 LEU 22 5.167 20.816 7.302 147 1HD2 LEU 22 1HD2 LEU 22 3.162 23.956 7.783 148 2HD2 LEU 22 2HD2 LEU 22 4.169 23.765 9.218 149 3HD2 LEU 22 3HD2 LEU 22 2.447 23.392 9.295 150 H LEU 23 H LEU 23 2.411 19.080 8.831 151 HA LEU 23 HA LEU 23 1.980 19.480 11.715 152 1HB LEU 23 1HB LEU 23 2.840 16.918 10.391 153 2HB LEU 23 2HB LEU 23 2.218 17.137 12.015 154 HG LEU 23 HG LEU 23 0.617 17.448 9.478 155 1HD1 LEU 23 1HD1 LEU 23 -0.484 15.389 10.214 156 2HD1 LEU 23 2HD1 LEU 23 0.670 15.261 11.543 157 3HD1 LEU 23 3HD1 LEU 23 1.230 15.149 9.873 158 1HD2 LEU 23 1HD2 LEU 23 -0.196 18.894 11.260 159 2HD2 LEU 23 2HD2 LEU 23 -0.237 17.523 12.369 160 3HD2 LEU 23 3HD2 LEU 23 -1.313 17.559 10.971 161 H VAL 24 H VAL 24 3.801 19.612 13.026 162 HA VAL 24 HA VAL 24 6.382 19.269 11.674 163 HB VAL 24 HB VAL 24 7.219 21.275 12.300 164 1HG1 VAL 24 1HG1 VAL 24 4.282 21.900 12.424 165 2HG1 VAL 24 2HG1 VAL 24 5.282 21.820 10.973 166 3HG1 VAL 24 3HG1 VAL 24 5.574 23.075 12.178 167 1HG2 VAL 24 1HG2 VAL 24 6.601 22.548 14.306 168 2HG2 VAL 24 2HG2 VAL 24 7.126 20.907 14.682 169 3HG2 VAL 24 3HG2 VAL 24 5.408 21.311 14.707 170 H CYS 25 H CYS 25 7.978 18.330 12.851 171 HA CYS 25 HA CYS 25 7.193 17.235 15.453 172 1HB CYS 25 1HB CYS 25 7.802 15.653 13.668 173 2HB CYS 25 2HB CYS 25 9.366 16.436 13.512 174 HA PRO 26 HA PRO 26 10.036 20.428 16.959 175 1HB PRO 26 1HB PRO 26 9.430 20.012 19.589 176 2HB PRO 26 2HB PRO 26 8.464 21.031 18.516 177 1HG PRO 26 1HG PRO 26 8.007 18.196 19.354 178 2HG PRO 26 2HG PRO 26 6.837 19.520 19.200 179 1HD PRO 26 1HD PRO 26 7.096 17.615 17.313 180 2HD PRO 26 2HD PRO 26 6.698 19.296 16.902 181 H GLU 27 H GLU 27 9.834 17.069 17.506 182 HA GLU 27 HA GLU 27 12.013 16.784 19.297 183 1HB GLU 27 1HB GLU 27 10.226 15.107 19.097 184 2HB GLU 27 2HB GLU 27 10.747 14.748 17.457 185 1HG GLU 27 1HG GLU 27 12.700 13.712 18.171 186 2HG GLU 27 2HG GLU 27 12.631 14.467 19.763 187 H CYS 28 H CYS 28 11.791 15.879 15.782 188 HA CYS 28 HA CYS 28 14.704 16.001 15.753 189 1HB CYS 28 1HB CYS 28 14.581 14.809 13.631 190 2HB CYS 28 2HB CYS 28 13.658 13.966 14.870 191 H ALA 29 H ALA 29 12.558 18.380 15.421 192 HA ALA 29 HA ALA 29 12.646 20.395 14.480 193 1HB ALA 29 1HB ALA 29 14.795 21.246 13.775 194 2HB ALA 29 2HB ALA 29 15.435 19.607 13.667 195 3HB ALA 29 3HB ALA 29 14.972 20.270 15.234 196 H HIS 30 H HIS 30 11.665 18.157 12.761 197 HA HIS 30 HA HIS 30 11.921 19.667 10.260 198 1HB HIS 30 1HB HIS 30 13.358 17.537 10.277 199 2HB HIS 30 2HB HIS 30 11.834 16.658 10.205 200 HD1 HIS 30 HD1 HIS 30 12.157 15.747 7.826 201 HD2 HIS 30 HD2 HIS 30 12.450 19.895 8.070 202 HE1 HIS 30 HE1 HIS 30 12.174 16.575 5.449 203 HE2 HIS 30 HE2 HIS 30 12.360 19.087 5.614 204 H GLU 31 H GLU 31 10.098 20.050 9.243 205 HA GLU 31 HA GLU 31 7.613 19.017 10.361 206 1HB GLU 31 1HB GLU 31 7.927 21.116 8.218 207 2HB GLU 31 2HB GLU 31 6.552 20.856 9.280 208 1HG GLU 31 1HG GLU 31 7.433 22.613 10.365 209 2HG GLU 31 2HG GLU 31 8.421 21.366 11.121 210 H TRP 32 H TRP 32 5.802 18.681 8.658 211 HA TRP 32 HA TRP 32 6.540 17.781 6.046 212 1HB TRP 32 1HB TRP 32 6.424 15.475 6.245 213 2HB TRP 32 2HB TRP 32 7.273 15.924 7.716 214 HD1 TRP 32 HD1 TRP 32 5.016 16.559 9.703 215 HE1 TRP 32 HE1 TRP 32 3.337 14.753 10.464 216 HE3 TRP 32 HE3 TRP 32 5.512 13.301 5.803 217 HZ2 TRP 32 HZ2 TRP 32 2.363 12.277 9.530 218 HZ3 TRP 32 HZ3 TRP 32 4.181 11.236 5.816 219 HH2 TRP 32 HH2 TRP 32 2.637 10.735 7.638 220 H SER 33 H SER 33 4.695 16.955 4.860 221 HA SER 33 HA SER 33 2.117 17.698 6.083 222 1HB SER 33 1HB SER 33 2.815 19.136 4.163 223 2HB SER 33 2HB SER 33 2.831 17.702 3.139 224 HG SER 33 HG SER 33 0.839 19.184 3.354 225 HA PRO 34 HA PRO 34 1.803 13.330 6.298 226 1HB PRO 34 1HB PRO 34 -0.974 13.225 6.541 227 2HB PRO 34 2HB PRO 34 0.175 13.423 7.868 228 1HG PRO 34 1HG PRO 34 -1.418 15.487 6.415 229 2HG PRO 34 2HG PRO 34 -0.997 15.393 8.135 230 1HD PRO 34 1HD PRO 34 0.274 17.074 6.489 231 2HD PRO 34 2HD PRO 34 1.137 16.220 7.779 232 H ASN 35 H ASN 35 -0.859 14.770 4.421 233 HA ASN 35 HA ASN 35 -1.003 12.346 2.846 234 1HB ASN 35 1HB ASN 35 -2.903 14.161 3.682 235 2HB ASN 35 2HB ASN 35 -2.714 14.554 1.975 236 1HD2 ASN 35 1HD2 ASN 35 -2.330 11.395 3.483 237 2HD2 ASN 35 2HD2 ASN 35 -3.660 10.650 2.666 238 H GLU 36 H GLU 36 0.217 15.579 2.487 239 HA GLU 36 HA GLU 36 0.299 15.492 -0.379 240 1HB GLU 36 1HB GLU 36 0.127 17.611 0.909 241 2HB GLU 36 2HB GLU 36 1.763 17.353 1.497 242 1HG GLU 36 1HG GLU 36 2.675 17.611 -0.675 243 2HG GLU 36 2HG GLU 36 1.078 17.566 -1.419 244 H ALA 37 H ALA 37 2.493 14.739 2.247 245 HA ALA 37 HA ALA 37 4.830 14.336 0.719 246 1HB ALA 37 1HB ALA 37 4.895 14.486 3.152 247 2HB ALA 37 2HB ALA 37 5.585 12.951 2.611 248 3HB ALA 37 3HB ALA 37 3.952 12.997 3.280 249 H ALA 38 H ALA 38 2.015 12.363 1.345 250 HA ALA 38 HA ALA 38 3.058 10.002 0.086 251 1HB ALA 38 1HB ALA 38 0.209 10.753 0.749 252 2HB ALA 38 2HB ALA 38 1.313 9.868 1.802 253 3HB ALA 38 3HB ALA 38 0.778 9.150 0.283 254 H THR 39 H THR 39 1.166 12.782 -0.839 255 HA THR 39 HA THR 39 0.728 13.742 -2.829 256 HB THR 39 HB THR 39 2.577 11.714 -4.084 257 HG1 THR 39 HG1 THR 39 3.065 13.774 -2.332 258 1HG2 THR 39 1HG2 THR 39 2.957 13.504 -5.728 259 2HG2 THR 39 2HG2 THR 39 1.779 14.515 -4.892 260 3HG2 THR 39 3HG2 THR 39 1.260 13.024 -5.678 261 H ALA 40 H ALA 40 1.218 10.519 -4.229 262 HA ALA 40 HA ALA 40 -1.676 10.265 -4.606 263 1HB ALA 40 1HB ALA 40 -0.835 11.418 -6.598 264 2HB ALA 40 2HB ALA 40 -1.425 9.802 -6.984 265 3HB ALA 40 3HB ALA 40 0.309 10.104 -6.872 266 H SER 41 H SER 41 0.722 8.931 -3.217 267 HA SER 41 HA SER 41 0.444 6.229 -4.313 268 1HB SER 41 1HB SER 41 2.339 7.227 -2.172 269 2HB SER 41 2HB SER 41 2.401 5.666 -2.992 270 HG SER 41 HG SER 41 3.261 6.585 -4.703 271 H ASP 42 H ASP 42 -1.389 7.933 -2.460 272 HA ASP 42 HA ASP 42 -2.825 7.637 -0.744 273 1HB ASP 42 1HB ASP 42 -3.226 5.490 -2.067 274 2HB ASP 42 2HB ASP 42 -2.185 4.683 -0.901 275 H ASP 43 H ASP 43 -2.853 6.048 1.491 276 HA ASP 43 HA ASP 43 -0.188 6.148 2.641 277 1HB ASP 43 1HB ASP 43 -1.188 8.393 3.075 278 2HB ASP 43 2HB ASP 43 -2.485 7.600 3.968 279 H GLY 44 H GLY 44 -0.338 3.932 2.709 280 1HA GLY 44 1HA GLY 44 -0.586 2.563 4.857 281 2HA GLY 44 2HA GLY 44 -2.303 2.858 4.622 282 H LYS 45 H LYS 45 -2.867 2.381 2.112 283 HA LYS 45 HA LYS 45 -2.164 -0.445 1.904 284 1HB LYS 45 1HB LYS 45 -4.261 -0.736 0.695 285 2HB LYS 45 2HB LYS 45 -4.511 -0.006 2.273 286 1HG LYS 45 1HG LYS 45 -5.789 1.437 1.184 287 2HG LYS 45 2HG LYS 45 -4.278 2.188 0.680 288 1HD LYS 45 1HD LYS 45 -4.324 0.573 -1.290 289 2HD LYS 45 2HD LYS 45 -5.997 0.244 -0.840 290 1HE LYS 45 1HE LYS 45 -4.871 2.958 -1.492 291 2HE LYS 45 2HE LYS 45 -5.787 1.948 -2.607 292 1HZ LYS 45 1HZ LYS 45 -7.272 3.521 -1.679 293 2HZ LYS 45 2HZ LYS 45 -6.761 3.203 -0.098 294 3HZ LYS 45 3HZ LYS 45 -7.645 2.034 -0.954 295 H VAL 46 H VAL 46 -0.609 -0.839 0.536 296 HA VAL 46 HA VAL 46 -0.977 -0.054 -2.247 297 HB VAL 46 HB VAL 46 1.787 -0.023 -1.022 298 1HG1 VAL 46 1HG1 VAL 46 1.656 -0.443 -3.408 299 2HG1 VAL 46 2HG1 VAL 46 2.370 1.138 -3.094 300 3HG1 VAL 46 3HG1 VAL 46 0.694 1.018 -3.628 301 1HG2 VAL 46 1HG2 VAL 46 0.526 1.792 0.018 302 2HG2 VAL 46 2HG2 VAL 46 0.039 2.374 -1.574 303 3HG2 VAL 46 3HG2 VAL 46 1.737 2.420 -1.099 304 H ILE 47 H ILE 47 -0.242 -1.693 -3.691 305 HA ILE 47 HA ILE 47 -0.204 -4.279 -2.352 306 HB ILE 47 HB ILE 47 -0.274 -4.004 -5.334 307 1HG1 ILE 47 1HG1 ILE 47 -1.818 -2.280 -4.530 308 2HG1 ILE 47 2HG1 ILE 47 -2.704 -3.624 -5.241 309 1HG2 ILE 47 1HG2 ILE 47 -2.002 -5.869 -4.968 310 2HG2 ILE 47 2HG2 ILE 47 -1.448 -5.881 -3.291 311 3HG2 ILE 47 3HG2 ILE 47 -0.315 -6.247 -4.592 312 1HD1 ILE 47 1HD1 ILE 47 -2.312 -3.132 -2.299 313 2HD1 ILE 47 2HD1 ILE 47 -3.207 -4.473 -3.013 314 3HD1 ILE 47 3HD1 ILE 47 -3.781 -2.819 -3.222 315 H LYS 48 H LYS 48 1.439 -5.698 -2.365 316 HA LYS 48 HA LYS 48 3.923 -4.938 -3.751 317 1HB LYS 48 1HB LYS 48 3.368 -5.907 -1.027 318 2HB LYS 48 2HB LYS 48 4.722 -6.687 -1.828 319 1HG LYS 48 1HG LYS 48 6.025 -4.940 -1.485 320 2HG LYS 48 2HG LYS 48 4.835 -3.832 -2.172 321 1HD LYS 48 1HD LYS 48 4.661 -4.936 0.630 322 2HD LYS 48 2HD LYS 48 5.437 -3.399 0.236 323 1HE LYS 48 1HE LYS 48 3.429 -2.416 -0.429 324 2HE LYS 48 2HE LYS 48 2.628 -3.973 -0.638 325 1HZ LYS 48 1HZ LYS 48 2.223 -4.177 1.581 326 2HZ LYS 48 2HZ LYS 48 2.149 -2.486 1.439 327 3HZ LYS 48 3HZ LYS 48 3.550 -3.227 2.045 328 H ASP 49 H ASP 49 5.146 -6.576 -4.710 329 HA ASP 49 HA ASP 49 3.466 -8.834 -5.537 330 1HB ASP 49 1HB ASP 49 5.686 -7.359 -6.928 331 2HB ASP 49 2HB ASP 49 5.062 -8.892 -7.519 332 H SER 50 H SER 50 5.051 -10.650 -6.560 333 HA SER 50 HA SER 50 6.210 -11.824 -4.217 334 1HB SER 50 1HB SER 50 4.943 -12.976 -6.154 335 2HB SER 50 2HB SER 50 6.473 -12.896 -7.024 336 HG SER 50 HG SER 50 5.817 -14.814 -5.548 337 H VAL 51 H VAL 51 7.297 -9.740 -6.475 338 HA VAL 51 HA VAL 51 10.080 -10.597 -6.595 339 HB VAL 51 HB VAL 51 9.086 -7.901 -7.450 340 1HG1 VAL 51 1HG1 VAL 51 11.468 -8.268 -7.503 341 2HG1 VAL 51 2HG1 VAL 51 10.835 -8.138 -9.146 342 3HG1 VAL 51 3HG1 VAL 51 11.249 -9.719 -8.481 343 1HG2 VAL 51 1HG2 VAL 51 8.799 -10.478 -8.972 344 2HG2 VAL 51 2HG2 VAL 51 8.562 -8.866 -9.650 345 3HG2 VAL 51 3HG2 VAL 51 7.501 -9.447 -8.366 346 H GLY 52 H GLY 52 8.062 -8.777 -4.631 347 1HA GLY 52 1HA GLY 52 8.588 -7.772 -2.583 348 2HA GLY 52 2HA GLY 52 10.288 -7.793 -3.037 349 H ASN 53 H ASN 53 8.287 -6.650 -5.503 350 HA ASN 53 HA ASN 53 9.104 -3.926 -4.875 351 1HB ASN 53 1HB ASN 53 8.323 -3.521 -7.331 352 2HB ASN 53 2HB ASN 53 9.888 -4.242 -7.008 353 1HD2 ASN 53 1HD2 ASN 53 6.770 -5.925 -6.848 354 2HD2 ASN 53 2HD2 ASN 53 7.096 -6.963 -8.189 355 H VAL 54 H VAL 54 7.722 -2.218 -5.277 356 HA VAL 54 HA VAL 54 4.953 -2.846 -4.449 357 HB VAL 54 HB VAL 54 6.297 -0.196 -3.963 358 1HG1 VAL 54 1HG1 VAL 54 4.036 -1.644 -2.602 359 2HG1 VAL 54 2HG1 VAL 54 3.897 -0.267 -3.696 360 3HG1 VAL 54 3HG1 VAL 54 4.675 -0.071 -2.124 361 1HG2 VAL 54 1HG2 VAL 54 6.387 -2.599 -2.141 362 2HG2 VAL 54 2HG2 VAL 54 6.911 -0.969 -1.715 363 3HG2 VAL 54 3HG2 VAL 54 7.761 -1.870 -2.971 364 H LEU 55 H LEU 55 3.234 -1.911 -5.605 365 HA LEU 55 HA LEU 55 4.089 -1.013 -8.242 366 1HB LEU 55 1HB LEU 55 1.618 -2.339 -7.167 367 2HB LEU 55 2HB LEU 55 1.633 -1.597 -8.753 368 HG LEU 55 HG LEU 55 3.271 -3.162 -9.554 369 1HD1 LEU 55 1HD1 LEU 55 4.696 -3.393 -7.634 370 2HD1 LEU 55 2HD1 LEU 55 4.113 -4.990 -8.125 371 3HD1 LEU 55 3HD1 LEU 55 3.404 -4.184 -6.725 372 1HD2 LEU 55 1HD2 LEU 55 2.068 -5.289 -9.236 373 2HD2 LEU 55 2HD2 LEU 55 0.993 -3.939 -9.607 374 3HD2 LEU 55 3HD2 LEU 55 1.123 -4.533 -7.952 375 H GLN 56 H GLN 56 2.320 0.320 -9.368 376 HA GLN 56 HA GLN 56 1.398 2.492 -7.603 377 1HB GLN 56 1HB GLN 56 3.359 3.176 -8.954 378 2HB GLN 56 2HB GLN 56 2.496 2.725 -10.417 379 1HG GLN 56 1HG GLN 56 0.741 4.424 -9.706 380 2HG GLN 56 2HG GLN 56 1.939 4.999 -8.547 381 1HE2 GLN 56 1HE2 GLN 56 2.695 3.726 -11.706 382 2HE2 GLN 56 2HE2 GLN 56 3.273 5.212 -12.383 383 H ASP 57 H ASP 57 -0.679 3.384 -8.152 384 HA ASP 57 HA ASP 57 -2.430 1.610 -9.495 385 1HB ASP 57 1HB ASP 57 -3.104 3.050 -7.605 386 2HB ASP 57 2HB ASP 57 -2.851 4.473 -8.609 387 H GLY 58 H GLY 58 -2.108 1.340 -11.619 388 1HA GLY 58 1HA GLY 58 -2.950 2.299 -13.749 389 2HA GLY 58 2HA GLY 58 -2.069 3.759 -13.314 390 H ASP 59 H ASP 59 -0.190 1.459 -12.180 391 HA ASP 59 HA ASP 59 1.759 1.602 -14.238 392 1HB ASP 59 1HB ASP 59 2.147 1.318 -11.746 393 2HB ASP 59 2HB ASP 59 1.653 -0.354 -11.939 394 H THR 60 H THR 60 2.834 -0.478 -15.042 395 HA THR 60 HA THR 60 0.777 -2.359 -15.960 396 HB THR 60 HB THR 60 3.571 -1.932 -17.054 397 HG1 THR 60 HG1 THR 60 2.756 -0.319 -18.133 398 1HG2 THR 60 1HG2 THR 60 2.663 -4.156 -17.505 399 2HG2 THR 60 2HG2 THR 60 2.753 -3.202 -18.986 400 3HG2 THR 60 3HG2 THR 60 1.202 -3.432 -18.178 401 H ILE 61 H ILE 61 1.012 -4.520 -15.475 402 HA ILE 61 HA ILE 61 3.311 -5.206 -13.770 403 HB ILE 61 HB ILE 61 1.930 -6.598 -12.388 404 1HG1 ILE 61 1HG1 ILE 61 -0.698 -6.264 -12.897 405 2HG1 ILE 61 2HG1 ILE 61 -0.078 -6.170 -14.539 406 1HG2 ILE 61 1HG2 ILE 61 0.439 -4.964 -11.368 407 2HG2 ILE 61 2HG2 ILE 61 0.587 -3.935 -12.794 408 3HG2 ILE 61 3HG2 ILE 61 1.999 -4.254 -11.785 409 1HD1 ILE 61 1HD1 ILE 61 0.313 -8.439 -12.609 410 2HD1 ILE 61 2HD1 ILE 61 1.028 -8.334 -14.216 411 3HD1 ILE 61 3HD1 ILE 61 -0.726 -8.427 -14.036 412 H THR 62 H THR 62 3.694 -7.621 -13.723 413 HA THR 62 HA THR 62 2.610 -9.073 -15.997 414 HB THR 62 HB THR 62 5.474 -8.287 -15.667 415 HG1 THR 62 HG1 THR 62 3.664 -7.466 -17.215 416 1HG2 THR 62 1HG2 THR 62 5.560 -10.720 -15.748 417 2HG2 THR 62 2HG2 THR 62 6.145 -10.031 -17.264 418 3HG2 THR 62 3HG2 THR 62 4.522 -10.719 -17.177 419 H VAL 63 H VAL 63 1.940 -10.940 -15.237 420 HA VAL 63 HA VAL 63 2.574 -11.993 -12.700 421 HB VAL 63 HB VAL 63 0.528 -12.462 -14.309 422 1HG1 VAL 63 1HG1 VAL 63 0.674 -14.694 -15.333 423 2HG1 VAL 63 2HG1 VAL 63 2.408 -14.689 -14.994 424 3HG1 VAL 63 3HG1 VAL 63 1.721 -13.494 -16.095 425 1HG2 VAL 63 1HG2 VAL 63 0.665 -13.233 -12.004 426 2HG2 VAL 63 2HG2 VAL 63 1.679 -14.587 -12.513 427 3HG2 VAL 63 3HG2 VAL 63 0.002 -14.493 -13.049 428 H ILE 64 H ILE 64 4.325 -13.148 -12.051 429 HA ILE 64 HA ILE 64 6.114 -14.113 -14.076 430 HB ILE 64 HB ILE 64 7.724 -14.503 -12.343 431 1HG1 ILE 64 1HG1 ILE 64 5.821 -15.178 -10.640 432 2HG1 ILE 64 2HG1 ILE 64 7.338 -14.505 -10.062 433 1HG2 ILE 64 1HG2 ILE 64 6.270 -11.904 -11.993 434 2HG2 ILE 64 2HG2 ILE 64 7.507 -12.268 -13.198 435 3HG2 ILE 64 3HG2 ILE 64 7.928 -12.221 -11.484 436 1HD1 ILE 64 1HD1 ILE 64 6.212 -12.287 -9.967 437 2HD1 ILE 64 2HD1 ILE 64 5.570 -13.499 -8.859 438 3HD1 ILE 64 3HD1 ILE 64 4.697 -13.111 -10.339 439 H LYS 65 H LYS 65 3.454 -15.749 -13.168 440 HA LYS 65 HA LYS 65 4.939 -18.219 -13.047 441 1HB LYS 65 1HB LYS 65 2.689 -17.540 -11.151 442 2HB LYS 65 2HB LYS 65 3.382 -19.137 -11.362 443 1HG LYS 65 1HG LYS 65 4.778 -16.718 -10.297 444 2HG LYS 65 2HG LYS 65 4.198 -18.097 -9.376 445 1HD LYS 65 1HD LYS 65 5.758 -19.547 -10.616 446 2HD LYS 65 2HD LYS 65 6.372 -18.117 -11.457 447 1HE LYS 65 1HE LYS 65 7.096 -17.154 -9.355 448 2HE LYS 65 2HE LYS 65 6.411 -18.512 -8.466 449 1HZ LYS 65 1HZ LYS 65 8.616 -18.730 -10.445 450 2HZ LYS 65 2HZ LYS 65 8.012 -19.976 -9.464 451 3HZ LYS 65 3HZ LYS 65 8.829 -18.667 -8.764 452 H ASP 66 H ASP 66 3.525 -20.007 -13.419 453 HA ASP 66 HA ASP 66 1.468 -19.433 -15.355 454 1HB ASP 66 1HB ASP 66 1.362 -21.828 -15.754 455 2HB ASP 66 2HB ASP 66 3.038 -21.301 -15.702 456 H LEU 67 H LEU 67 -0.434 -18.832 -14.768 457 HA LEU 67 HA LEU 67 -1.969 -20.514 -12.903 458 1HB LEU 67 1HB LEU 67 -2.275 -17.522 -13.275 459 2HB LEU 67 2HB LEU 67 -3.298 -18.532 -12.278 460 HG LEU 67 HG LEU 67 -1.113 -19.041 -10.965 461 1HD1 LEU 67 1HD1 LEU 67 -0.368 -16.465 -12.341 462 2HD1 LEU 67 2HD1 LEU 67 0.434 -18.024 -12.542 463 3HD1 LEU 67 3HD1 LEU 67 0.492 -17.195 -10.985 464 1HD2 LEU 67 1HD2 LEU 67 -1.508 -17.082 -9.553 465 2HD2 LEU 67 2HD2 LEU 67 -3.024 -17.813 -10.079 466 3HD2 LEU 67 3HD2 LEU 67 -2.444 -16.336 -10.849 467 H LYS 68 H LYS 68 -3.988 -21.114 -13.700 468 HA LYS 68 HA LYS 68 -4.644 -20.251 -16.395 469 1HB LYS 68 1HB LYS 68 -6.229 -21.974 -16.491 470 2HB LYS 68 2HB LYS 68 -4.872 -22.647 -15.599 471 1HG LYS 68 1HG LYS 68 -6.019 -22.406 -13.521 472 2HG LYS 68 2HG LYS 68 -7.327 -21.505 -14.292 473 1HD LYS 68 1HD LYS 68 -6.593 -24.371 -14.851 474 2HD LYS 68 2HD LYS 68 -7.953 -23.830 -13.866 475 1HE LYS 68 1HE LYS 68 -8.959 -22.756 -15.795 476 2HE LYS 68 2HE LYS 68 -7.568 -23.185 -16.789 477 1HZ LYS 68 1HZ LYS 68 -9.500 -24.672 -17.085 478 2HZ LYS 68 2HZ LYS 68 -9.349 -25.162 -15.466 479 3HZ LYS 68 3HZ LYS 68 -8.105 -25.490 -16.573 480 H VAL 69 H VAL 69 -7.272 -20.053 -16.624 481 HA VAL 69 HA VAL 69 -8.124 -18.078 -14.630 482 HB VAL 69 HB VAL 69 -8.644 -17.860 -17.613 483 1HG1 VAL 69 1HG1 VAL 69 -9.437 -16.050 -15.332 484 2HG1 VAL 69 2HG1 VAL 69 -10.517 -17.066 -16.285 485 3HG1 VAL 69 3HG1 VAL 69 -9.686 -15.709 -17.045 486 1HG2 VAL 69 1HG2 VAL 69 -6.347 -17.254 -17.090 487 2HG2 VAL 69 2HG2 VAL 69 -6.902 -16.171 -15.814 488 3HG2 VAL 69 3HG2 VAL 69 -7.280 -15.814 -17.499 489 H LYS 70 H LYS 70 -10.000 -18.782 -13.704 490 HA LYS 70 HA LYS 70 -10.903 -21.365 -14.606 491 1HB LYS 70 1HB LYS 70 -10.410 -20.640 -12.187 492 2HB LYS 70 2HB LYS 70 -11.959 -19.814 -12.251 493 1HG LYS 70 1HG LYS 70 -12.211 -21.969 -11.203 494 2HG LYS 70 2HG LYS 70 -13.061 -21.953 -12.752 495 1HD LYS 70 1HD LYS 70 -11.312 -23.196 -13.805 496 2HD LYS 70 2HD LYS 70 -10.269 -23.033 -12.391 497 1HE LYS 70 1HE LYS 70 -12.908 -24.490 -12.410 498 2HE LYS 70 2HE LYS 70 -11.338 -25.268 -12.607 499 1HZ LYS 70 1HZ LYS 70 -10.700 -24.479 -10.425 500 2HZ LYS 70 2HZ LYS 70 -12.134 -25.381 -10.320 501 3HZ LYS 70 3HZ LYS 70 -12.186 -23.688 -10.238 502 H GLY 71 H GLY 71 -12.498 -21.588 -15.999 503 1HA GLY 71 1HA GLY 71 -14.829 -21.433 -16.494 504 2HA GLY 71 2HA GLY 71 -14.849 -19.836 -15.757 505 H SER 72 H SER 72 -12.237 -19.326 -17.251 506 HA SER 72 HA SER 72 -13.536 -18.546 -19.766 507 1HB SER 72 1HB SER 72 -11.231 -17.253 -18.291 508 2HB SER 72 2HB SER 72 -11.924 -16.677 -19.805 509 HG SER 72 HG SER 72 -13.994 -16.714 -18.482 510 H SER 73 H SER 73 -11.856 -18.105 -21.547 511 HA SER 73 HA SER 73 -10.191 -20.503 -21.798 512 1HB SER 73 1HB SER 73 -11.901 -19.979 -23.558 513 2HB SER 73 2HB SER 73 -11.008 -18.506 -23.928 514 HG SER 73 HG SER 73 -9.189 -20.283 -24.060 515 H LEU 74 H LEU 74 -9.792 -17.647 -20.533 516 HA LEU 74 HA LEU 74 -7.386 -16.714 -21.810 517 1HB LEU 74 1HB LEU 74 -9.149 -15.370 -20.460 518 2HB LEU 74 2HB LEU 74 -8.322 -15.987 -19.046 519 HG LEU 74 HG LEU 74 -6.234 -14.894 -19.821 520 1HD1 LEU 74 1HD1 LEU 74 -8.015 -13.731 -21.956 521 2HD1 LEU 74 2HD1 LEU 74 -6.707 -14.885 -22.217 522 3HD1 LEU 74 3HD1 LEU 74 -6.347 -13.261 -21.630 523 1HD2 LEU 74 1HD2 LEU 74 -7.665 -13.766 -18.233 524 2HD2 LEU 74 2HD2 LEU 74 -8.645 -13.111 -19.546 525 3HD2 LEU 74 3HD2 LEU 74 -6.967 -12.596 -19.355 526 H VAL 75 H VAL 75 -5.445 -16.384 -19.911 527 HA VAL 75 HA VAL 75 -4.854 -18.762 -18.629 528 HB VAL 75 HB VAL 75 -3.550 -18.426 -21.338 529 1HG1 VAL 75 1HG1 VAL 75 -2.866 -20.336 -19.105 530 2HG1 VAL 75 2HG1 VAL 75 -1.885 -18.972 -19.644 531 3HG1 VAL 75 3HG1 VAL 75 -2.151 -20.344 -20.719 532 1HG2 VAL 75 1HG2 VAL 75 -4.333 -20.745 -21.714 533 2HG2 VAL 75 2HG2 VAL 75 -5.658 -19.603 -21.479 534 3HG2 VAL 75 3HG2 VAL 75 -5.180 -20.679 -20.163 535 H VAL 76 H VAL 76 -3.583 -17.978 -17.066 536 HA VAL 76 HA VAL 76 -2.193 -15.463 -17.568 537 HB VAL 76 HB VAL 76 -2.806 -16.883 -14.968 538 1HG1 VAL 76 1HG1 VAL 76 -1.473 -14.231 -15.443 539 2HG1 VAL 76 2HG1 VAL 76 -0.729 -15.676 -14.759 540 3HG1 VAL 76 3HG1 VAL 76 -2.008 -14.842 -13.877 541 1HG2 VAL 76 1HG2 VAL 76 -4.327 -15.007 -14.591 542 2HG2 VAL 76 2HG2 VAL 76 -4.762 -15.912 -16.040 543 3HG2 VAL 76 3HG2 VAL 76 -3.927 -14.365 -16.184 544 H LYS 77 H LYS 77 -0.364 -15.953 -18.557 545 HA LYS 77 HA LYS 77 1.394 -17.968 -17.324 546 1HB LYS 77 1HB LYS 77 2.568 -18.001 -19.600 547 2HB LYS 77 2HB LYS 77 1.010 -18.791 -19.455 548 1HG LYS 77 1HG LYS 77 1.004 -17.661 -21.514 549 2HG LYS 77 2HG LYS 77 -0.014 -16.716 -20.432 550 1HD LYS 77 1HD LYS 77 1.604 -15.034 -20.199 551 2HD LYS 77 2HD LYS 77 2.887 -16.064 -20.837 552 1HE LYS 77 1HE LYS 77 2.098 -14.314 -22.427 553 2HE LYS 77 2HE LYS 77 1.968 -15.961 -23.043 554 1HZ LYS 77 1HZ LYS 77 -0.261 -14.359 -21.894 555 2HZ LYS 77 2HZ LYS 77 -0.386 -15.946 -22.483 556 3HZ LYS 77 3HZ LYS 77 -0.012 -14.679 -23.542 557 H VAL 78 H VAL 78 3.633 -17.618 -17.216 558 HA VAL 78 HA VAL 78 4.318 -15.199 -16.039 559 HB VAL 78 HB VAL 78 5.673 -17.090 -15.552 560 1HG1 VAL 78 1HG1 VAL 78 5.427 -18.316 -17.633 561 2HG1 VAL 78 2HG1 VAL 78 7.128 -18.179 -17.188 562 3HG1 VAL 78 3HG1 VAL 78 6.464 -17.152 -18.458 563 1HG2 VAL 78 1HG2 VAL 78 6.846 -14.964 -15.443 564 2HG2 VAL 78 2HG2 VAL 78 7.316 -15.117 -17.134 565 3HG2 VAL 78 3HG2 VAL 78 7.945 -16.251 -15.938 566 H GLY 79 H GLY 79 3.866 -13.409 -17.161 567 1HA GLY 79 1HA GLY 79 5.381 -11.826 -18.549 568 2HA GLY 79 2HA GLY 79 5.086 -13.018 -19.811 569 H THR 80 H THR 80 2.474 -12.934 -17.886 570 HA THR 80 HA THR 80 0.724 -11.777 -19.770 571 HB THR 80 HB THR 80 0.214 -12.176 -16.812 572 HG1 THR 80 HG1 THR 80 0.706 -14.107 -18.030 573 1HG2 THR 80 1HG2 THR 80 -1.723 -11.753 -19.093 574 2HG2 THR 80 2HG2 THR 80 -1.363 -10.591 -17.817 575 3HG2 THR 80 3HG2 THR 80 -2.161 -12.115 -17.423 576 H LYS 81 H LYS 81 0.945 -9.803 -20.374 577 HA LYS 81 HA LYS 81 1.798 -7.751 -18.503 578 1HB LYS 81 1HB LYS 81 2.917 -7.769 -20.632 579 2HB LYS 81 2HB LYS 81 1.391 -7.695 -21.502 580 1HG LYS 81 1HG LYS 81 1.060 -5.435 -20.334 581 2HG LYS 81 2HG LYS 81 2.778 -5.540 -19.949 582 1HD LYS 81 1HD LYS 81 2.388 -4.260 -22.007 583 2HD LYS 81 2HD LYS 81 3.315 -5.730 -22.322 584 1HE LYS 81 1HE LYS 81 1.302 -6.856 -23.095 585 2HE LYS 81 2HE LYS 81 0.340 -5.426 -22.725 586 1HZ LYS 81 1HZ LYS 81 2.560 -5.487 -24.697 587 2HZ LYS 81 2HZ LYS 81 1.484 -4.203 -24.415 588 3HZ LYS 81 3HZ LYS 81 0.920 -5.652 -25.095 589 H VAL 82 H VAL 82 0.299 -6.739 -17.323 590 HA VAL 82 HA VAL 82 -2.171 -5.906 -18.693 591 HB VAL 82 HB VAL 82 -1.928 -6.565 -15.751 592 1HG1 VAL 82 1HG1 VAL 82 -3.604 -4.882 -16.227 593 2HG1 VAL 82 2HG1 VAL 82 -4.381 -6.403 -15.787 594 3HG1 VAL 82 3HG1 VAL 82 -4.310 -5.907 -17.477 595 1HG2 VAL 82 1HG2 VAL 82 -1.736 -8.605 -17.066 596 2HG2 VAL 82 2HG2 VAL 82 -3.194 -8.180 -17.963 597 3HG2 VAL 82 3HG2 VAL 82 -3.294 -8.544 -16.241 598 H LYS 83 H LYS 83 -2.137 -3.775 -18.950 599 HA LYS 83 HA LYS 83 -0.499 -2.174 -17.127 600 1HB LYS 83 1HB LYS 83 -0.451 -0.483 -18.914 601 2HB LYS 83 2HB LYS 83 0.196 -2.030 -19.438 602 1HG LYS 83 1HG LYS 83 -1.947 -2.514 -20.556 603 2HG LYS 83 2HG LYS 83 -2.527 -0.914 -20.081 604 1HD LYS 83 1HD LYS 83 -0.104 -1.465 -21.802 605 2HD LYS 83 2HD LYS 83 -1.683 -0.943 -22.393 606 1HE LYS 83 1HE LYS 83 -1.492 1.146 -21.213 607 2HE LYS 83 2HE LYS 83 -0.003 0.616 -20.433 608 1HZ LYS 83 1HZ LYS 83 1.084 0.583 -22.574 609 2HZ LYS 83 2HZ LYS 83 0.418 2.113 -22.290 610 3HZ LYS 83 3HZ LYS 83 -0.350 1.041 -23.357 611 H ASN 84 H ASN 84 -1.193 -0.238 -16.312 612 HA ASN 84 HA ASN 84 -2.587 1.341 -15.495 613 1HB ASN 84 1HB ASN 84 -3.972 0.561 -17.967 614 2HB ASN 84 2HB ASN 84 -5.029 1.228 -16.725 615 1HD2 ASN 84 1HD2 ASN 84 -2.555 1.875 -19.010 616 2HD2 ASN 84 2HD2 ASN 84 -2.500 3.595 -18.792 617 H ILE 85 H ILE 85 -2.424 -1.068 -14.067 618 HA ILE 85 HA ILE 85 -4.871 -2.182 -13.380 619 HB ILE 85 HB ILE 85 -3.682 -2.937 -11.388 620 1HG1 ILE 85 1HG1 ILE 85 -1.424 -1.122 -12.273 621 2HG1 ILE 85 2HG1 ILE 85 -2.545 -0.724 -10.977 622 1HG2 ILE 85 1HG2 ILE 85 -1.829 -4.088 -12.474 623 2HG2 ILE 85 2HG2 ILE 85 -1.891 -2.949 -13.818 624 3HG2 ILE 85 3HG2 ILE 85 -3.239 -4.053 -13.535 625 1HD1 ILE 85 1HD1 ILE 85 -1.779 -2.682 -9.731 626 2HD1 ILE 85 2HD1 ILE 85 -0.461 -1.564 -10.090 627 3HD1 ILE 85 3HD1 ILE 85 -0.640 -3.050 -11.026 628 H ARG 86 H ARG 86 -5.479 -2.119 -10.994 629 HA ARG 86 HA ARG 86 -5.652 0.619 -9.927 630 1HB ARG 86 1HB ARG 86 -7.839 0.200 -10.763 631 2HB ARG 86 2HB ARG 86 -7.808 -1.474 -10.235 632 1HG ARG 86 1HG ARG 86 -9.308 -0.203 -8.846 633 2HG ARG 86 2HG ARG 86 -7.914 -0.717 -7.895 634 1HD ARG 86 1HD ARG 86 -6.909 1.522 -8.297 635 2HD ARG 86 2HD ARG 86 -8.418 2.009 -9.064 636 HE ARG 86 HE ARG 86 -9.380 1.290 -6.748 637 1HH1 ARG 86 1HH1 ARG 86 -6.311 2.868 -7.342 638 2HH1 ARG 86 2HH1 ARG 86 -6.323 3.738 -5.832 639 1HH2 ARG 86 1HH2 ARG 86 -9.415 2.422 -4.782 640 2HH2 ARG 86 2HH2 ARG 86 -8.104 3.491 -4.369 641 H LEU 87 H LEU 87 -4.707 0.685 -7.891 642 HA LEU 87 HA LEU 87 -4.145 -1.822 -6.563 643 1HB LEU 87 1HB LEU 87 -3.623 1.015 -5.659 644 2HB LEU 87 2HB LEU 87 -2.997 -0.435 -4.902 645 HG LEU 87 HG LEU 87 -2.268 0.605 -7.634 646 1HD1 LEU 87 1HD1 LEU 87 -0.064 0.945 -6.642 647 2HD1 LEU 87 2HD1 LEU 87 -0.688 0.406 -5.082 648 3HD1 LEU 87 3HD1 LEU 87 -1.302 1.890 -5.812 649 1HD2 LEU 87 1HD2 LEU 87 -0.631 -1.201 -7.695 650 2HD2 LEU 87 2HD2 LEU 87 -2.278 -1.829 -7.621 651 3HD2 LEU 87 3HD2 LEU 87 -1.268 -1.829 -6.174 652 H VAL 88 H VAL 88 -5.489 -2.707 -5.128 653 HA VAL 88 HA VAL 88 -7.783 -1.080 -4.296 654 HB VAL 88 HB VAL 88 -7.999 -3.846 -3.491 655 1HG1 VAL 88 1HG1 VAL 88 -10.089 -3.686 -4.781 656 2HG1 VAL 88 2HG1 VAL 88 -9.557 -2.129 -5.424 657 3HG1 VAL 88 3HG1 VAL 88 -9.868 -2.312 -3.696 658 1HG2 VAL 88 1HG2 VAL 88 -6.540 -4.376 -5.336 659 2HG2 VAL 88 2HG2 VAL 88 -7.481 -3.347 -6.421 660 3HG2 VAL 88 3HG2 VAL 88 -8.195 -4.819 -5.760 661 H ASP 89 H ASP 89 -8.625 -1.681 -2.006 662 HA ASP 89 HA ASP 89 -6.478 -1.029 -0.228 663 1HB ASP 89 1HB ASP 89 -9.398 -1.443 0.151 664 2HB ASP 89 2HB ASP 89 -8.327 -1.338 1.536 665 H GLY 90 H GLY 90 -5.123 -2.701 -0.223 666 1HA GLY 90 1HA GLY 90 -5.306 -4.493 1.866 667 2HA GLY 90 2HA GLY 90 -5.766 -5.366 0.404 668 H ASP 91 H ASP 91 -3.645 -6.466 1.290 669 HA ASP 91 HA ASP 91 -1.339 -5.155 0.027 670 1HB ASP 91 1HB ASP 91 -1.226 -6.064 2.417 671 2HB ASP 91 2HB ASP 91 -1.263 -7.668 1.694 672 H HIS 92 H HIS 92 -3.563 -7.714 -0.266 673 HA HIS 92 HA HIS 92 -2.030 -9.038 -2.399 674 1HB HIS 92 1HB HIS 92 -3.635 -10.963 -1.970 675 2HB HIS 92 2HB HIS 92 -2.478 -10.623 -0.690 676 HD1 HIS 92 HD1 HIS 92 -3.388 -9.925 1.572 677 HD2 HIS 92 HD2 HIS 92 -6.337 -10.306 -1.338 678 HE1 HIS 92 HE1 HIS 92 -5.581 -9.798 2.801 679 HE2 HIS 92 HE2 HIS 92 -7.341 -9.845 1.000 680 H ASP 93 H ASP 93 -3.022 -6.977 -3.591 681 HA ASP 93 HA ASP 93 -5.720 -7.528 -4.440 682 1HB ASP 93 1HB ASP 93 -5.092 -5.166 -2.702 683 2HB ASP 93 2HB ASP 93 -6.539 -5.253 -3.698 684 H ILE 94 H ILE 94 -4.838 -7.573 -6.559 685 HA ILE 94 HA ILE 94 -4.405 -4.823 -7.564 686 HB ILE 94 HB ILE 94 -3.390 -7.377 -8.791 687 1HG1 ILE 94 1HG1 ILE 94 -1.751 -5.199 -7.518 688 2HG1 ILE 94 2HG1 ILE 94 -2.383 -6.539 -6.567 689 1HG2 ILE 94 1HG2 ILE 94 -3.836 -5.663 -10.449 690 2HG2 ILE 94 2HG2 ILE 94 -2.095 -5.859 -10.242 691 3HG2 ILE 94 3HG2 ILE 94 -2.922 -4.484 -9.508 692 1HD1 ILE 94 1HD1 ILE 94 -0.529 -6.743 -8.916 693 2HD1 ILE 94 2HD1 ILE 94 -1.187 -8.100 -7.999 694 3HD1 ILE 94 3HD1 ILE 94 -0.109 -6.945 -7.215 695 H ASP 95 H ASP 95 -6.159 -4.101 -8.512 696 HA ASP 95 HA ASP 95 -7.890 -5.994 -9.879 697 1HB ASP 95 1HB ASP 95 -8.799 -4.267 -8.285 698 2HB ASP 95 2HB ASP 95 -8.326 -3.032 -9.446 699 H CYS 96 H CYS 96 -8.313 -5.943 -12.018 700 HA CYS 96 HA CYS 96 -7.088 -3.933 -13.704 701 1HB CYS 96 1HB CYS 96 -5.907 -5.619 -15.084 702 2HB CYS 96 2HB CYS 96 -5.249 -5.490 -13.457 703 HG CYS 96 HG CYS 96 -7.162 -7.783 -12.825 704 H LYS 97 H LYS 97 -7.781 -4.150 -15.950 705 HA LYS 97 HA LYS 97 -10.320 -5.614 -16.147 706 1HB LYS 97 1HB LYS 97 -9.490 -2.928 -17.161 707 2HB LYS 97 2HB LYS 97 -10.640 -3.858 -18.109 708 1HG LYS 97 1HG LYS 97 -11.828 -2.349 -16.671 709 2HG LYS 97 2HG LYS 97 -12.108 -4.006 -16.132 710 1HD LYS 97 1HD LYS 97 -10.377 -3.695 -14.398 711 2HD LYS 97 2HD LYS 97 -10.196 -2.015 -14.910 712 1HE LYS 97 1HE LYS 97 -12.547 -1.603 -14.365 713 2HE LYS 97 2HE LYS 97 -12.721 -3.281 -13.854 714 1HZ LYS 97 1HZ LYS 97 -11.108 -2.900 -12.106 715 2HZ LYS 97 2HZ LYS 97 -12.384 -1.790 -11.980 716 3HZ LYS 97 3HZ LYS 97 -10.894 -1.295 -12.614 717 H ILE 98 H ILE 98 -10.623 -6.983 -17.814 718 HA ILE 98 HA ILE 98 -8.327 -7.354 -19.641 719 HB ILE 98 HB ILE 98 -10.308 -9.531 -19.122 720 1HG1 ILE 98 1HG1 ILE 98 -9.407 -8.613 -16.898 721 2HG1 ILE 98 2HG1 ILE 98 -9.254 -10.339 -17.190 722 1HG2 ILE 98 1HG2 ILE 98 -8.704 -9.775 -20.922 723 2HG2 ILE 98 2HG2 ILE 98 -8.380 -10.950 -19.646 724 3HG2 ILE 98 3HG2 ILE 98 -7.371 -9.512 -19.797 725 1HD1 ILE 98 1HD1 ILE 98 -6.919 -10.007 -17.812 726 2HD1 ILE 98 2HD1 ILE 98 -7.268 -9.474 -16.168 727 3HD1 ILE 98 3HD1 ILE 98 -7.079 -8.284 -17.463 728 H ASP 99 H ASP 99 -8.933 -6.419 -21.516 729 HA ASP 99 HA ASP 99 -11.536 -6.191 -22.501 730 1HB ASP 99 1HB ASP 99 -8.876 -6.245 -23.919 731 2HB ASP 99 2HB ASP 99 -10.394 -5.960 -24.764 732 H GLY 100 H GLY 100 -12.823 -7.913 -22.597 733 1HA GLY 100 1HA GLY 100 -13.204 -9.683 -24.449 734 2HA GLY 100 2HA GLY 100 -11.769 -10.408 -23.735 735 H ILE 101 H ILE 101 -11.950 -10.610 -21.252 736 HA ILE 101 HA ILE 101 -14.385 -12.109 -20.768 737 HB ILE 101 HB ILE 101 -13.281 -12.872 -18.688 738 1HG1 ILE 101 1HG1 ILE 101 -10.883 -11.296 -19.651 739 2HG1 ILE 101 2HG1 ILE 101 -11.919 -10.804 -18.318 740 1HG2 ILE 101 1HG2 ILE 101 -11.530 -14.206 -19.763 741 2HG2 ILE 101 2HG2 ILE 101 -11.606 -13.149 -21.173 742 3HG2 ILE 101 3HG2 ILE 101 -13.001 -14.137 -20.736 743 1HD1 ILE 101 1HD1 ILE 101 -10.307 -13.341 -18.403 744 2HD1 ILE 101 2HD1 ILE 101 -11.268 -12.747 -17.048 745 3HD1 ILE 101 3HD1 ILE 101 -9.835 -11.854 -17.575 746 H GLY 102 H GLY 102 -12.601 -9.450 -19.253 747 1HA GLY 102 1HA GLY 102 -14.335 -7.615 -18.575 748 2HA GLY 102 2HA GLY 102 -14.874 -8.898 -17.493 749 H ALA 103 H ALA 103 -14.270 -7.461 -15.702 750 HA ALA 103 HA ALA 103 -11.488 -6.788 -15.387 751 1HB ALA 103 1HB ALA 103 -12.143 -5.961 -13.190 752 2HB ALA 103 2HB ALA 103 -13.737 -6.690 -13.381 753 3HB ALA 103 3HB ALA 103 -13.237 -5.372 -14.441 754 H MET 104 H MET 104 -9.989 -7.730 -13.983 755 HA MET 104 HA MET 104 -10.770 -10.294 -12.795 756 1HB MET 104 1HB MET 104 -9.693 -10.644 -15.035 757 2HB MET 104 2HB MET 104 -8.241 -9.885 -14.401 758 1HG MET 104 1HG MET 104 -7.924 -11.640 -12.822 759 2HG MET 104 2HG MET 104 -9.496 -12.331 -13.206 760 1HE MET 104 1HE MET 104 -6.677 -10.930 -15.605 761 2HE MET 104 2HE MET 104 -5.834 -12.424 -16.014 762 3HE MET 104 3HE MET 104 -5.799 -11.817 -14.359 763 H LYS 105 H LYS 105 -9.426 -10.971 -11.057 764 HA LYS 105 HA LYS 105 -7.902 -8.766 -9.854 765 1HB LYS 105 1HB LYS 105 -8.407 -9.843 -7.637 766 2HB LYS 105 2HB LYS 105 -9.792 -9.137 -8.451 767 1HG LYS 105 1HG LYS 105 -9.199 -12.054 -8.731 768 2HG LYS 105 2HG LYS 105 -10.022 -11.434 -7.300 769 1HD LYS 105 1HD LYS 105 -11.736 -10.426 -8.740 770 2HD LYS 105 2HD LYS 105 -10.926 -11.088 -10.158 771 1HE LYS 105 1HE LYS 105 -11.256 -13.358 -9.224 772 2HE LYS 105 2HE LYS 105 -12.171 -12.640 -7.899 773 1HZ LYS 105 1HZ LYS 105 -12.879 -12.422 -10.773 774 2HZ LYS 105 2HZ LYS 105 -13.780 -11.813 -9.475 775 3HZ LYS 105 3HZ LYS 105 -13.600 -13.489 -9.670 776 H LEU 106 H LEU 106 -5.932 -9.219 -8.936 777 HA LEU 106 HA LEU 106 -4.787 -11.785 -9.790 778 1HB LEU 106 1HB LEU 106 -3.493 -9.064 -9.868 779 2HB LEU 106 2HB LEU 106 -2.741 -10.572 -10.353 780 HG LEU 106 HG LEU 106 -5.140 -9.314 -11.703 781 1HD1 LEU 106 1HD1 LEU 106 -3.115 -8.016 -12.041 782 2HD1 LEU 106 2HD1 LEU 106 -3.570 -8.856 -13.524 783 3HD1 LEU 106 3HD1 LEU 106 -2.246 -9.470 -12.533 784 1HD2 LEU 106 1HD2 LEU 106 -5.122 -11.754 -11.871 785 2HD2 LEU 106 2HD2 LEU 106 -3.464 -11.711 -12.472 786 3HD2 LEU 106 3HD2 LEU 106 -4.769 -11.002 -13.426 787 H LYS 107 H LYS 107 -3.476 -12.778 -8.477 788 HA LYS 107 HA LYS 107 -3.242 -11.934 -5.746 789 1HB LYS 107 1HB LYS 107 -3.582 -14.337 -6.498 790 2HB LYS 107 2HB LYS 107 -1.909 -14.313 -7.033 791 1HG LYS 107 1HG LYS 107 -2.079 -15.359 -4.864 792 2HG LYS 107 2HG LYS 107 -1.189 -13.841 -4.737 793 1HD LYS 107 1HD LYS 107 -3.123 -12.719 -3.850 794 2HD LYS 107 2HD LYS 107 -4.127 -14.143 -4.132 795 1HE LYS 107 1HE LYS 107 -1.781 -13.995 -2.241 796 2HE LYS 107 2HE LYS 107 -3.478 -13.908 -1.771 797 1HZ LYS 107 1HZ LYS 107 -2.816 -16.119 -1.423 798 2HZ LYS 107 2HZ LYS 107 -2.016 -16.218 -2.912 799 3HZ LYS 107 3HZ LYS 107 -3.711 -16.156 -2.866 800 H SER 108 H SER 108 -1.748 -10.608 -5.085 801 HA SER 108 HA SER 108 0.243 -9.533 -6.649 802 1HB SER 108 1HB SER 108 1.184 -8.791 -4.377 803 2HB SER 108 2HB SER 108 -0.462 -8.304 -4.783 804 HG SER 108 HG SER 108 0.065 -9.324 -2.611 805 H GLU 109 H GLU 109 0.388 -12.315 -4.475 806 HA GLU 109 HA GLU 109 3.180 -12.609 -4.513 807 1HB GLU 109 1HB GLU 109 1.059 -14.711 -4.074 808 2HB GLU 109 2HB GLU 109 2.760 -14.867 -3.659 809 1HG GLU 109 1HG GLU 109 2.471 -12.907 -2.134 810 2HG GLU 109 2HG GLU 109 0.738 -13.015 -2.439 811 H PHE 110 H PHE 110 0.931 -13.146 -7.029 812 HA PHE 110 HA PHE 110 2.818 -15.013 -8.286 813 1HB PHE 110 1HB PHE 110 -0.096 -14.459 -8.707 814 2HB PHE 110 2HB PHE 110 0.854 -15.290 -9.930 815 HD1 PHE 110 HD1 PHE 110 -0.684 -15.519 -6.643 816 HD2 PHE 110 HD2 PHE 110 1.791 -17.508 -9.472 817 HE1 PHE 110 HE1 PHE 110 -1.015 -17.631 -5.435 818 HE2 PHE 110 HE2 PHE 110 1.464 -19.628 -8.271 819 HZ PHE 110 HZ PHE 110 0.060 -19.693 -6.250 820 H VAL 111 H VAL 111 2.232 -11.765 -8.219 821 HA VAL 111 HA VAL 111 2.747 -11.489 -11.104 822 HB VAL 111 HB VAL 111 1.724 -9.267 -11.022 823 1HG1 VAL 111 1HG1 VAL 111 -0.007 -11.469 -9.900 824 2HG1 VAL 111 2HG1 VAL 111 0.331 -11.168 -11.606 825 3HG1 VAL 111 3HG1 VAL 111 -0.602 -9.998 -10.671 826 1HG2 VAL 111 1HG2 VAL 111 2.199 -8.669 -8.738 827 2HG2 VAL 111 2HG2 VAL 111 1.166 -9.973 -8.150 828 3HG2 VAL 111 3HG2 VAL 111 0.459 -8.608 -9.013 829 H ARG 112 H ARG 112 3.732 -9.271 -11.604 830 HA ARG 112 HA ARG 112 5.749 -8.458 -9.691 831 1HB ARG 112 1HB ARG 112 7.190 -9.934 -10.639 832 2HB ARG 112 2HB ARG 112 6.303 -9.997 -12.155 833 1HG ARG 112 1HG ARG 112 7.322 -8.034 -12.953 834 2HG ARG 112 2HG ARG 112 7.934 -7.608 -11.356 835 1HD ARG 112 1HD ARG 112 9.651 -9.098 -11.464 836 2HD ARG 112 2HD ARG 112 8.778 -10.189 -12.525 837 HE ARG 112 HE ARG 112 9.249 -7.856 -13.955 838 1HH1 ARG 112 1HH1 ARG 112 11.177 -10.394 -12.490 839 2HH1 ARG 112 2HH1 ARG 112 12.444 -10.279 -13.675 840 1HH2 ARG 112 1HH2 ARG 112 10.893 -7.732 -15.517 841 2HH2 ARG 112 2HH2 ARG 112 12.272 -8.784 -15.405 842 H LYS 113 H LYS 113 6.093 -6.369 -9.779 843 HA LYS 113 HA LYS 113 4.743 -4.655 -11.520 844 1HB LYS 113 1HB LYS 113 5.528 -4.023 -9.273 845 2HB LYS 113 2HB LYS 113 7.191 -4.098 -9.847 846 1HG LYS 113 1HG LYS 113 6.316 -2.427 -11.650 847 2HG LYS 113 2HG LYS 113 5.064 -2.117 -10.445 848 1HD LYS 113 1HD LYS 113 6.594 -1.326 -8.885 849 2HD LYS 113 2HD LYS 113 7.966 -2.080 -9.710 850 1HE LYS 113 1HE LYS 113 8.056 0.236 -10.175 851 2HE LYS 113 2HE LYS 113 7.522 -0.565 -11.635 852 1HZ LYS 113 1HZ LYS 113 5.235 0.026 -11.048 853 2HZ LYS 113 2HZ LYS 113 6.214 1.389 -11.282 854 3HZ LYS 113 3HZ LYS 113 5.809 0.903 -9.708 855 H VAL 114 H VAL 114 5.292 -3.702 -13.368 856 HA VAL 114 HA VAL 114 7.784 -4.546 -14.664 857 HB VAL 114 HB VAL 114 5.382 -3.153 -15.864 858 1HG1 VAL 114 1HG1 VAL 114 7.830 -4.314 -17.192 859 2HG1 VAL 114 2HG1 VAL 114 7.419 -2.603 -17.072 860 3HG1 VAL 114 3HG1 VAL 114 6.410 -3.688 -18.030 861 1HG2 VAL 114 1HG2 VAL 114 4.860 -5.422 -15.197 862 2HG2 VAL 114 2HG2 VAL 114 6.282 -6.021 -16.053 863 3HG2 VAL 114 3HG2 VAL 114 4.947 -5.302 -16.954 864 H GLY 115 H GLY 115 5.857 -1.572 -14.212 865 1HA GLY 115 1HA GLY 115 6.551 0.626 -14.062 866 2HA GLY 115 2HA GLY 115 8.204 0.043 -13.899 867 H SER 116 H SER 116 5.768 -0.292 -16.446 868 HA SER 116 HA SER 116 7.564 -0.205 -18.573 869 1HB SER 116 1HB SER 116 5.459 0.329 -19.925 870 2HB SER 116 2HB SER 116 5.424 -1.147 -18.958 871 HG SER 116 HG SER 116 4.494 1.285 -17.885 Start of MODEL 17 1 H MET 1 H MET 1 -6.655 2.837 20.586 2 HA MET 1 HA MET 1 -8.327 1.733 19.259 3 1HB MET 1 1HB MET 1 -10.229 2.327 20.610 4 2HB MET 1 2HB MET 1 -8.788 2.472 21.607 5 1HG MET 1 1HG MET 1 -10.215 4.756 20.259 6 2HG MET 1 2HG MET 1 -10.362 4.314 21.958 7 1HE MET 1 1HE MET 1 -9.818 7.002 22.245 8 2HE MET 1 2HE MET 1 -9.423 7.202 20.537 9 3HE MET 1 3HE MET 1 -8.275 7.717 21.774 10 H VAL 2 H VAL 2 -7.572 4.701 18.198 11 HA VAL 2 HA VAL 2 -9.931 4.817 16.435 12 HB VAL 2 HB VAL 2 -9.484 7.231 16.126 13 1HG1 VAL 2 1HG1 VAL 2 -11.154 6.517 17.725 14 2HG1 VAL 2 2HG1 VAL 2 -10.322 7.957 18.312 15 3HG1 VAL 2 3HG1 VAL 2 -9.923 6.374 18.980 16 1HG2 VAL 2 1HG2 VAL 2 -7.107 7.259 16.675 17 2HG2 VAL 2 2HG2 VAL 2 -7.481 6.864 18.353 18 3HG2 VAL 2 3HG2 VAL 2 -7.999 8.407 17.673 19 H SER 3 H SER 3 -9.582 5.397 14.241 20 HA SER 3 HA SER 3 -6.847 5.545 13.295 21 1HB SER 3 1HB SER 3 -8.746 3.382 12.348 22 2HB SER 3 2HB SER 3 -7.160 3.726 11.656 23 HG SER 3 HG SER 3 -6.832 3.443 14.265 24 H THR 4 H THR 4 -7.093 7.495 12.388 25 HA THR 4 HA THR 4 -9.085 7.729 10.233 26 HB THR 4 HB THR 4 -8.953 10.241 10.697 27 HG1 THR 4 HG1 THR 4 -8.308 10.785 12.836 28 1HG2 THR 4 1HG2 THR 4 -10.922 8.906 11.256 29 2HG2 THR 4 2HG2 THR 4 -10.625 10.125 12.497 30 3HG2 THR 4 3HG2 THR 4 -10.183 8.442 12.789 31 H LEU 5 H LEU 5 -6.095 9.214 11.447 32 HA LEU 5 HA LEU 5 -5.085 9.708 8.798 33 1HB LEU 5 1HB LEU 5 -3.587 9.746 11.423 34 2HB LEU 5 2HB LEU 5 -3.090 10.494 9.921 35 HG LEU 5 HG LEU 5 -5.501 11.328 11.533 36 1HD1 LEU 5 1HD1 LEU 5 -3.429 11.805 12.721 37 2HD1 LEU 5 2HD1 LEU 5 -4.171 13.291 12.127 38 3HD1 LEU 5 3HD1 LEU 5 -2.780 12.604 11.289 39 1HD2 LEU 5 1HD2 LEU 5 -5.736 11.778 9.150 40 2HD2 LEU 5 2HD2 LEU 5 -4.168 12.587 9.137 41 3HD2 LEU 5 3HD2 LEU 5 -5.509 13.275 10.053 42 HA PRO 6 HA PRO 6 -3.097 5.776 8.236 43 1HB PRO 6 1HB PRO 6 -0.929 6.448 6.767 44 2HB PRO 6 2HB PRO 6 -2.566 6.488 6.101 45 1HG PRO 6 1HG PRO 6 -0.911 8.729 7.188 46 2HG PRO 6 2HG PRO 6 -1.873 8.682 5.700 47 1HD PRO 6 1HD PRO 6 -2.774 9.853 7.967 48 2HD PRO 6 2HD PRO 6 -3.865 9.028 6.838 49 HA PRO 7 HA PRO 7 -0.065 5.396 11.401 50 1HB PRO 7 1HB PRO 7 1.069 3.038 10.135 51 2HB PRO 7 2HB PRO 7 0.055 3.142 11.574 52 1HG PRO 7 1HG PRO 7 -0.787 2.059 9.221 53 2HG PRO 7 2HG PRO 7 -1.877 2.823 10.390 54 1HD PRO 7 1HD PRO 7 -0.752 3.925 7.844 55 2HD PRO 7 2HD PRO 7 -2.379 4.110 8.535 56 H CYS 8 H CYS 8 2.383 4.292 11.360 57 HA CYS 8 HA CYS 8 3.948 6.169 9.765 58 1HB CYS 8 1HB CYS 8 4.459 6.288 12.095 59 2HB CYS 8 2HB CYS 8 4.548 4.540 12.233 60 HA PRO 9 HA PRO 9 4.914 2.720 7.086 61 1HB PRO 9 1HB PRO 9 6.669 4.010 5.486 62 2HB PRO 9 2HB PRO 9 4.925 4.284 5.384 63 1HG PRO 9 1HG PRO 9 7.017 5.912 6.783 64 2HG PRO 9 2HG PRO 9 5.683 6.460 5.750 65 1HD PRO 9 1HD PRO 9 5.547 6.543 8.448 66 2HD PRO 9 2HD PRO 9 4.121 6.243 7.434 67 H GLN 10 H GLN 10 6.561 3.764 9.565 68 HA GLN 10 HA GLN 10 9.025 2.303 8.932 69 1HB GLN 10 1HB GLN 10 8.713 4.626 10.837 70 2HB GLN 10 2HB GLN 10 10.212 3.796 10.431 71 1HG GLN 10 1HG GLN 10 10.293 4.702 8.303 72 2HG GLN 10 2HG GLN 10 8.571 5.080 8.298 73 1HE2 GLN 10 1HE2 GLN 10 10.475 5.769 11.067 74 2HE2 GLN 10 2HE2 GLN 10 10.527 7.477 10.877 75 H CYS 11 H CYS 11 6.551 3.081 11.458 76 HA CYS 11 HA CYS 11 7.573 0.841 13.025 77 1HB CYS 11 1HB CYS 11 5.637 3.040 13.808 78 2HB CYS 11 2HB CYS 11 6.315 1.821 14.874 79 H ASN 12 H ASN 12 4.646 2.419 11.791 80 HA ASN 12 HA ASN 12 2.571 1.713 11.246 81 1HB ASN 12 1HB ASN 12 3.945 -0.094 10.069 82 2HB ASN 12 2HB ASN 12 3.536 -1.137 11.426 83 1HD2 ASN 12 1HD2 ASN 12 1.498 -1.990 11.572 84 2HD2 ASN 12 2HD2 ASN 12 0.300 -1.804 10.343 85 H SER 13 H SER 13 3.886 1.381 14.119 86 HA SER 13 HA SER 13 2.353 -0.287 15.673 87 1HB SER 13 1HB SER 13 3.193 2.475 16.552 88 2HB SER 13 2HB SER 13 3.015 1.028 17.546 89 HG SER 13 HG SER 13 5.230 1.787 16.690 90 H GLU 14 H GLU 14 1.695 3.223 15.739 91 HA GLU 14 HA GLU 14 -0.887 3.393 14.904 92 1HB GLU 14 1HB GLU 14 -2.330 3.105 16.813 93 2HB GLU 14 2HB GLU 14 -1.431 1.616 16.564 94 1HG GLU 14 1HG GLU 14 0.050 2.152 18.387 95 2HG GLU 14 2HG GLU 14 -0.714 3.729 18.585 96 H TYR 15 H TYR 15 1.644 4.512 16.861 97 HA TYR 15 HA TYR 15 0.260 6.602 18.236 98 1HB TYR 15 1HB TYR 15 3.223 6.085 17.925 99 2HB TYR 15 2HB TYR 15 2.498 7.224 19.053 100 HD1 TYR 15 HD1 TYR 15 1.275 6.415 21.021 101 HD2 TYR 15 HD2 TYR 15 3.196 3.718 18.350 102 HE1 TYR 15 HE1 TYR 15 1.107 4.634 22.706 103 HE2 TYR 15 HE2 TYR 15 3.032 1.931 20.027 104 HH TYR 15 HH TYR 15 2.811 1.685 22.432 105 H THR 16 H THR 16 0.058 6.789 15.366 106 HA THR 16 HA THR 16 1.753 9.065 14.703 107 HB THR 16 HB THR 16 -0.236 7.724 12.879 108 HG1 THR 16 HG1 THR 16 2.148 6.774 13.932 109 1HG2 THR 16 1HG2 THR 16 1.347 8.452 11.156 110 2HG2 THR 16 2HG2 THR 16 2.390 9.137 12.403 111 3HG2 THR 16 3HG2 THR 16 0.790 9.822 12.117 112 H TYR 17 H TYR 17 0.940 11.107 14.273 113 HA TYR 17 HA TYR 17 -1.904 11.611 14.485 114 1HB TYR 17 1HB TYR 17 -1.787 13.071 16.365 115 2HB TYR 17 2HB TYR 17 -0.943 11.608 16.847 116 HD1 TYR 17 HD1 TYR 17 -0.763 15.148 16.505 117 HD2 TYR 17 HD2 TYR 17 1.661 11.652 16.776 118 HE1 TYR 17 HE1 TYR 17 1.155 16.532 17.157 119 HE2 TYR 17 HE2 TYR 17 3.579 13.035 17.429 120 HH TYR 17 HH TYR 17 3.306 16.196 18.460 121 H GLU 18 H GLU 18 -2.138 14.225 14.292 122 HA GLU 18 HA GLU 18 -0.120 15.007 12.306 123 1HB GLU 18 1HB GLU 18 -1.814 16.544 11.372 124 2HB GLU 18 2HB GLU 18 -2.299 14.858 11.295 125 1HG GLU 18 1HG GLU 18 -3.798 15.151 13.147 126 2HG GLU 18 2HG GLU 18 -3.228 16.802 13.395 127 H ASP 19 H ASP 19 1.249 16.504 12.864 128 HA ASP 19 HA ASP 19 0.451 18.566 14.787 129 1HB ASP 19 1HB ASP 19 2.233 17.110 15.654 130 2HB ASP 19 2HB ASP 19 3.195 17.444 14.214 131 H GLY 20 H GLY 20 -0.359 19.926 13.139 132 1HA GLY 20 1HA GLY 20 0.160 21.965 12.073 133 2HA GLY 20 2HA GLY 20 1.796 21.383 11.817 134 H ALA 21 H ALA 21 2.324 20.472 9.917 135 HA ALA 21 HA ALA 21 0.177 20.523 7.885 136 1HB ALA 21 1HB ALA 21 1.771 22.367 7.693 137 2HB ALA 21 2HB ALA 21 1.837 21.296 6.293 138 3HB ALA 21 3HB ALA 21 3.087 21.204 7.532 139 H LEU 22 H LEU 22 1.438 18.203 9.475 140 HA LEU 22 HA LEU 22 1.510 16.359 7.315 141 1HB LEU 22 1HB LEU 22 3.739 15.683 7.284 142 2HB LEU 22 2HB LEU 22 3.820 17.431 7.272 143 HG LEU 22 HG LEU 22 4.362 15.615 9.622 144 1HD1 LEU 22 1HD1 LEU 22 6.111 17.356 7.910 145 2HD1 LEU 22 2HD1 LEU 22 6.133 15.593 8.028 146 3HD1 LEU 22 3HD1 LEU 22 6.632 16.579 9.404 147 1HD2 LEU 22 1HD2 LEU 22 4.437 18.633 9.488 148 2HD2 LEU 22 2HD2 LEU 22 5.035 17.652 10.826 149 3HD2 LEU 22 3HD2 LEU 22 3.315 17.656 10.439 150 H LEU 23 H LEU 23 2.521 14.155 8.340 151 HA LEU 23 HA LEU 23 1.220 13.837 10.947 152 1HB LEU 23 1HB LEU 23 2.299 11.636 9.201 153 2HB LEU 23 2HB LEU 23 1.141 11.507 10.510 154 HG LEU 23 HG LEU 23 0.640 12.783 7.822 155 1HD1 LEU 23 1HD1 LEU 23 -0.380 10.225 9.040 156 2HD1 LEU 23 2HD1 LEU 23 0.795 10.359 7.732 157 3HD1 LEU 23 3HD1 LEU 23 -0.865 10.896 7.483 158 1HD2 LEU 23 1HD2 LEU 23 -1.247 12.340 10.134 159 2HD2 LEU 23 2HD2 LEU 23 -1.676 12.972 8.543 160 3HD2 LEU 23 3HD2 LEU 23 -0.614 13.899 9.604 161 H VAL 24 H VAL 24 2.401 13.299 12.756 162 HA VAL 24 HA VAL 24 5.299 13.035 12.419 163 HB VAL 24 HB VAL 24 3.745 14.225 14.724 164 1HG1 VAL 24 1HG1 VAL 24 6.706 13.961 14.268 165 2HG1 VAL 24 2HG1 VAL 24 5.744 13.223 15.546 166 3HG1 VAL 24 3HG1 VAL 24 5.977 14.971 15.516 167 1HG2 VAL 24 1HG2 VAL 24 3.632 15.674 12.816 168 2HG2 VAL 24 2HG2 VAL 24 5.377 15.565 12.580 169 3HG2 VAL 24 3HG2 VAL 24 4.729 16.366 14.012 170 H CYS 25 H CYS 25 6.155 11.150 13.212 171 HA CYS 25 HA CYS 25 4.490 9.569 15.029 172 1HB CYS 25 1HB CYS 25 5.363 8.452 13.000 173 2HB CYS 25 2HB CYS 25 7.002 8.842 13.508 174 HA PRO 26 HA PRO 26 7.230 11.478 18.064 175 1HB PRO 26 1HB PRO 26 5.850 10.534 20.226 176 2HB PRO 26 2HB PRO 26 5.401 11.997 19.343 177 1HG PRO 26 1HG PRO 26 4.276 9.236 19.135 178 2HG PRO 26 2HG PRO 26 3.433 10.796 19.123 179 1HD PRO 26 1HD PRO 26 3.931 9.404 16.861 180 2HD PRO 26 2HD PRO 26 3.908 11.180 16.898 181 H GLU 27 H GLU 27 6.316 8.235 17.499 182 HA GLU 27 HA GLU 27 7.786 6.981 19.561 183 1HB GLU 27 1HB GLU 27 5.898 5.896 18.413 184 2HB GLU 27 2HB GLU 27 6.843 5.830 16.932 185 1HG GLU 27 1HG GLU 27 8.378 4.290 17.876 186 2HG GLU 27 2HG GLU 27 7.711 4.520 19.492 187 H CYS 28 H CYS 28 8.538 7.041 15.977 188 HA CYS 28 HA CYS 28 11.274 6.445 16.735 189 1HB CYS 28 1HB CYS 28 11.634 6.038 14.342 190 2HB CYS 28 2HB CYS 28 10.281 5.101 14.963 191 H ALA 29 H ALA 29 9.733 9.282 16.707 192 HA ALA 29 HA ALA 29 10.437 11.396 16.627 193 1HB ALA 29 1HB ALA 29 12.343 10.501 17.865 194 2HB ALA 29 2HB ALA 29 12.808 11.852 16.832 195 3HB ALA 29 3HB ALA 29 13.187 10.200 16.345 196 H HIS 30 H HIS 30 9.811 9.990 14.052 197 HA HIS 30 HA HIS 30 11.157 11.953 12.321 198 1HB HIS 30 1HB HIS 30 11.991 9.645 11.875 199 2HB HIS 30 2HB HIS 30 10.346 9.164 11.473 200 HD1 HIS 30 HD1 HIS 30 10.146 8.970 9.008 201 HD2 HIS 30 HD2 HIS 30 12.540 12.180 10.120 202 HE1 HIS 30 HE1 HIS 30 10.770 10.121 6.868 203 HE2 HIS 30 HE2 HIS 30 12.002 12.196 7.590 204 H GLU 31 H GLU 31 9.884 13.150 11.050 205 HA GLU 31 HA GLU 31 6.996 12.702 11.195 206 1HB GLU 31 1HB GLU 31 8.443 15.066 9.991 207 2HB GLU 31 2HB GLU 31 6.743 14.961 10.410 208 1HG GLU 31 1HG GLU 31 7.612 16.251 12.106 209 2HG GLU 31 2HG GLU 31 7.586 14.642 12.820 210 H TRP 32 H TRP 32 5.723 12.877 9.187 211 HA TRP 32 HA TRP 32 7.109 12.684 6.673 212 1HB TRP 32 1HB TRP 32 6.835 10.470 6.157 213 2HB TRP 32 2HB TRP 32 7.014 10.320 7.899 214 HD1 TRP 32 HD1 TRP 32 4.324 10.570 9.133 215 HE1 TRP 32 HE1 TRP 32 2.290 9.117 8.488 216 HE3 TRP 32 HE3 TRP 32 5.831 9.090 4.480 217 HZ2 TRP 32 HZ2 TRP 32 1.449 7.558 6.298 218 HZ3 TRP 32 HZ3 TRP 32 4.353 7.617 3.176 219 HH2 TRP 32 HH2 TRP 32 2.209 6.867 4.067 220 H SER 33 H SER 33 5.608 12.579 4.870 221 HA SER 33 HA SER 33 2.869 13.322 5.605 222 1HB SER 33 1HB SER 33 3.007 14.504 3.247 223 2HB SER 33 2HB SER 33 3.622 15.307 4.692 224 HG SER 33 HG SER 33 5.407 15.419 3.587 225 HA PRO 34 HA PRO 34 1.731 9.498 3.926 226 1HB PRO 34 1HB PRO 34 -0.781 10.274 2.940 227 2HB PRO 34 2HB PRO 34 -0.429 9.657 4.554 228 1HG PRO 34 1HG PRO 34 -0.808 12.456 3.639 229 2HG PRO 34 2HG PRO 34 -1.188 11.721 5.204 230 1HD PRO 34 1HD PRO 34 0.931 13.350 4.856 231 2HD PRO 34 2HD PRO 34 0.958 11.988 5.986 232 H ASN 35 H ASN 35 0.853 12.237 1.832 233 HA ASN 35 HA ASN 35 1.801 10.620 -0.457 234 1HB ASN 35 1HB ASN 35 -0.578 12.485 -0.388 235 2HB ASN 35 2HB ASN 35 0.089 11.787 -1.860 236 1HD2 ASN 35 1HD2 ASN 35 -1.729 11.214 1.023 237 2HD2 ASN 35 2HD2 ASN 35 -2.272 9.620 0.610 238 H GLU 36 H GLU 36 1.685 13.640 1.164 239 HA GLU 36 HA GLU 36 2.574 15.316 -0.928 240 1HB GLU 36 1HB GLU 36 2.925 15.810 2.027 241 2HB GLU 36 2HB GLU 36 2.829 17.007 0.747 242 1HG GLU 36 1HG GLU 36 0.727 17.171 1.602 243 2HG GLU 36 2HG GLU 36 0.457 15.943 0.368 244 H ALA 37 H ALA 37 4.230 13.085 1.068 245 HA ALA 37 HA ALA 37 6.806 14.301 0.975 246 1HB ALA 37 1HB ALA 37 6.243 12.605 2.648 247 2HB ALA 37 2HB ALA 37 7.653 12.129 1.700 248 3HB ALA 37 3HB ALA 37 6.082 11.398 1.372 249 H ALA 38 H ALA 38 5.109 11.941 -1.011 250 HA ALA 38 HA ALA 38 7.395 11.587 -2.749 251 1HB ALA 38 1HB ALA 38 5.994 10.016 -3.959 252 2HB ALA 38 2HB ALA 38 4.592 10.514 -3.012 253 3HB ALA 38 3HB ALA 38 5.939 9.691 -2.227 254 H THR 39 H THR 39 4.263 13.215 -2.825 255 HA THR 39 HA THR 39 5.198 14.765 -5.128 256 HB THR 39 HB THR 39 2.333 13.982 -5.136 257 HG1 THR 39 HG1 THR 39 4.408 12.293 -6.151 258 1HG2 THR 39 1HG2 THR 39 4.378 14.418 -7.308 259 2HG2 THR 39 2HG2 THR 39 3.188 15.592 -6.748 260 3HG2 THR 39 3HG2 THR 39 2.659 14.120 -7.563 261 H ALA 40 H ALA 40 4.613 16.871 -5.022 262 HA ALA 40 HA ALA 40 2.874 17.651 -2.774 263 1HB ALA 40 1HB ALA 40 5.220 18.260 -2.398 264 2HB ALA 40 2HB ALA 40 4.195 19.687 -2.552 265 3HB ALA 40 3HB ALA 40 5.215 19.184 -3.900 266 H SER 41 H SER 41 2.697 17.240 -5.865 267 HA SER 41 HA SER 41 1.667 19.791 -6.731 268 1HB SER 41 1HB SER 41 1.498 17.096 -8.100 269 2HB SER 41 2HB SER 41 1.212 18.671 -8.840 270 HG SER 41 HG SER 41 3.584 18.818 -7.721 271 H ASP 42 H ASP 42 -0.268 20.476 -6.184 272 HA ASP 42 HA ASP 42 -2.420 20.578 -5.492 273 1HB ASP 42 1HB ASP 42 -2.595 19.240 -7.736 274 2HB ASP 42 2HB ASP 42 -2.929 17.864 -6.690 275 H ASP 43 H ASP 43 -4.068 18.215 -4.798 276 HA ASP 43 HA ASP 43 -3.309 17.929 -2.081 277 1HB ASP 43 1HB ASP 43 -5.630 17.753 -2.682 278 2HB ASP 43 2HB ASP 43 -5.301 16.419 -3.780 279 H GLY 44 H GLY 44 -2.566 16.110 -4.939 280 1HA GLY 44 1HA GLY 44 -0.927 14.461 -5.176 281 2HA GLY 44 2HA GLY 44 -0.796 14.378 -3.423 282 H LYS 45 H LYS 45 -3.739 14.143 -5.289 283 HA LYS 45 HA LYS 45 -4.755 11.960 -3.842 284 1HB LYS 45 1HB LYS 45 -5.556 13.008 -6.558 285 2HB LYS 45 2HB LYS 45 -6.517 11.926 -5.562 286 1HG LYS 45 1HG LYS 45 -6.857 13.618 -3.922 287 2HG LYS 45 2HG LYS 45 -5.691 14.689 -4.708 288 1HD LYS 45 1HD LYS 45 -8.078 15.256 -5.175 289 2HD LYS 45 2HD LYS 45 -7.115 14.938 -6.620 290 1HE LYS 45 1HE LYS 45 -9.213 13.829 -6.880 291 2HE LYS 45 2HE LYS 45 -7.977 12.602 -6.597 292 1HZ LYS 45 1HZ LYS 45 -8.689 12.739 -4.176 293 2HZ LYS 45 2HZ LYS 45 -9.755 11.990 -5.252 294 3HZ LYS 45 3HZ LYS 45 -10.061 13.571 -4.733 295 H VAL 46 H VAL 46 -2.767 12.114 -6.659 296 HA VAL 46 HA VAL 46 -3.576 9.774 -7.964 297 HB VAL 46 HB VAL 46 -2.267 11.564 -9.024 298 1HG1 VAL 46 1HG1 VAL 46 -0.747 12.097 -7.225 299 2HG1 VAL 46 2HG1 VAL 46 0.155 11.700 -8.688 300 3HG1 VAL 46 3HG1 VAL 46 0.031 10.522 -7.381 301 1HG2 VAL 46 1HG2 VAL 46 -0.728 10.116 -10.305 302 2HG2 VAL 46 2HG2 VAL 46 -2.344 9.439 -10.118 303 3HG2 VAL 46 3HG2 VAL 46 -1.015 8.829 -9.132 304 H ILE 47 H ILE 47 -2.845 7.676 -7.916 305 HA ILE 47 HA ILE 47 -2.108 6.779 -5.305 306 HB ILE 47 HB ILE 47 -2.208 4.984 -7.713 307 1HG1 ILE 47 1HG1 ILE 47 -4.174 6.481 -7.849 308 2HG1 ILE 47 2HG1 ILE 47 -4.632 4.820 -7.506 309 1HG2 ILE 47 1HG2 ILE 47 -3.137 3.382 -6.088 310 2HG2 ILE 47 2HG2 ILE 47 -3.007 4.605 -4.826 311 3HG2 ILE 47 3HG2 ILE 47 -1.552 3.979 -5.598 312 1HD1 ILE 47 1HD1 ILE 47 -5.899 6.555 -6.240 313 2HD1 ILE 47 2HD1 ILE 47 -4.402 6.948 -5.393 314 3HD1 ILE 47 3HD1 ILE 47 -5.112 5.335 -5.235 315 H LYS 48 H LYS 48 -0.236 5.843 -4.606 316 HA LYS 48 HA LYS 48 2.072 5.861 -6.426 317 1HB LYS 48 1HB LYS 48 1.624 7.404 -4.026 318 2HB LYS 48 2HB LYS 48 3.030 6.364 -3.837 319 1HG LYS 48 1HG LYS 48 4.255 7.539 -5.291 320 2HG LYS 48 2HG LYS 48 2.898 7.794 -6.388 321 1HD LYS 48 1HD LYS 48 3.314 9.255 -3.782 322 2HD LYS 48 2HD LYS 48 3.734 9.892 -5.374 323 1HE LYS 48 1HE LYS 48 1.401 9.755 -6.058 324 2HE LYS 48 2HE LYS 48 0.968 9.073 -4.490 325 1HZ LYS 48 1HZ LYS 48 2.104 11.779 -4.949 326 2HZ LYS 48 2HZ LYS 48 1.685 11.129 -3.442 327 3HZ LYS 48 3HZ LYS 48 0.482 11.432 -4.592 328 H ASP 49 H ASP 49 3.808 4.423 -5.821 329 HA ASP 49 HA ASP 49 2.711 1.966 -4.662 330 1HB ASP 49 1HB ASP 49 5.173 2.355 -6.367 331 2HB ASP 49 2HB ASP 49 4.472 0.815 -5.897 332 H SER 50 H SER 50 4.641 0.502 -3.859 333 HA SER 50 HA SER 50 5.702 1.824 -1.511 334 1HB SER 50 1HB SER 50 4.709 -0.494 -1.513 335 2HB SER 50 2HB SER 50 6.121 -1.034 -2.419 336 HG SER 50 HG SER 50 5.846 -0.725 0.209 337 H VAL 51 H VAL 51 6.684 1.247 -4.589 338 HA VAL 51 HA VAL 51 9.541 1.075 -4.017 339 HB VAL 51 HB VAL 51 8.874 -0.363 -5.752 340 1HG1 VAL 51 1HG1 VAL 51 7.421 1.962 -6.923 341 2HG1 VAL 51 2HG1 VAL 51 6.755 0.452 -6.287 342 3HG1 VAL 51 3HG1 VAL 51 7.698 0.443 -7.778 343 1HG2 VAL 51 1HG2 VAL 51 10.970 0.726 -6.275 344 2HG2 VAL 51 2HG2 VAL 51 10.107 2.042 -7.072 345 3HG2 VAL 51 3HG2 VAL 51 10.058 0.414 -7.753 346 H GLY 52 H GLY 52 7.268 3.384 -4.150 347 1HA GLY 52 1HA GLY 52 7.723 5.602 -3.577 348 2HA GLY 52 2HA GLY 52 9.345 5.415 -4.220 349 H ASN 53 H ASN 53 7.137 4.215 -6.452 350 HA ASN 53 HA ASN 53 7.291 6.789 -7.844 351 1HB ASN 53 1HB ASN 53 6.951 5.377 -9.952 352 2HB ASN 53 2HB ASN 53 8.522 5.367 -9.180 353 1HD2 ASN 53 1HD2 ASN 53 5.639 3.517 -8.184 354 2HD2 ASN 53 2HD2 ASN 53 6.354 1.978 -8.499 355 H VAL 54 H VAL 54 5.675 6.854 -9.674 356 HA VAL 54 HA VAL 54 2.994 6.573 -8.431 357 HB VAL 54 HB VAL 54 3.681 8.729 -10.420 358 1HG1 VAL 54 1HG1 VAL 54 1.330 8.298 -10.115 359 2HG1 VAL 54 2HG1 VAL 54 1.744 9.850 -9.386 360 3HG1 VAL 54 3HG1 VAL 54 1.497 8.431 -8.364 361 1HG2 VAL 54 1HG2 VAL 54 4.007 10.279 -8.564 362 2HG2 VAL 54 2HG2 VAL 54 5.210 8.990 -8.534 363 3HG2 VAL 54 3HG2 VAL 54 3.847 8.948 -7.417 364 H LEU 55 H LEU 55 1.236 5.879 -9.756 365 HA LEU 55 HA LEU 55 2.109 4.622 -12.238 366 1HB LEU 55 1HB LEU 55 -0.531 4.251 -10.838 367 2HB LEU 55 2HB LEU 55 0.248 3.177 -11.986 368 HG LEU 55 HG LEU 55 1.984 3.453 -9.805 369 1HD1 LEU 55 1HD1 LEU 55 -0.790 2.753 -8.916 370 2HD1 LEU 55 2HD1 LEU 55 0.085 4.224 -8.488 371 3HD1 LEU 55 3HD1 LEU 55 0.680 2.655 -7.942 372 1HD2 LEU 55 1HD2 LEU 55 1.744 1.099 -9.599 373 2HD2 LEU 55 2HD2 LEU 55 1.761 1.542 -11.312 374 3HD2 LEU 55 3HD2 LEU 55 0.234 1.145 -10.516 375 H GLN 56 H GLN 56 0.080 4.431 -13.769 376 HA GLN 56 HA GLN 56 -1.434 6.944 -13.840 377 1HB GLN 56 1HB GLN 56 0.523 6.948 -15.455 378 2HB GLN 56 2HB GLN 56 -0.256 5.606 -16.281 379 1HG GLN 56 1HG GLN 56 -2.265 7.114 -16.548 380 2HG GLN 56 2HG GLN 56 -1.223 8.431 -16.012 381 1HE2 GLN 56 1HE2 GLN 56 -1.910 6.163 -18.526 382 2HE2 GLN 56 2HE2 GLN 56 -0.922 6.897 -19.746 383 H ASP 57 H ASP 57 -3.448 6.688 -15.161 384 HA ASP 57 HA ASP 57 -4.745 4.211 -14.770 385 1HB ASP 57 1HB ASP 57 -5.983 6.339 -14.997 386 2HB ASP 57 2HB ASP 57 -5.463 6.453 -16.676 387 H GLY 58 H GLY 58 -4.807 2.463 -15.995 388 1HA GLY 58 1HA GLY 58 -4.662 1.175 -17.942 389 2HA GLY 58 2HA GLY 58 -4.050 2.578 -18.800 390 H ASP 59 H ASP 59 -2.209 2.619 -16.178 391 HA ASP 59 HA ASP 59 0.085 1.598 -17.486 392 1HB ASP 59 1HB ASP 59 -0.218 3.380 -15.542 393 2HB ASP 59 2HB ASP 59 0.014 1.970 -14.519 394 H THR 60 H THR 60 1.519 -0.068 -16.446 395 HA THR 60 HA THR 60 -0.119 -2.349 -15.603 396 HB THR 60 HB THR 60 2.686 -2.339 -16.743 397 HG1 THR 60 HG1 THR 60 1.687 -2.219 -18.604 398 1HG2 THR 60 1HG2 THR 60 0.793 -4.624 -16.179 399 2HG2 THR 60 2HG2 THR 60 2.267 -4.253 -15.286 400 3HG2 THR 60 3HG2 THR 60 2.362 -4.762 -16.972 401 H ILE 61 H ILE 61 0.336 -3.362 -13.664 402 HA ILE 61 HA ILE 61 2.391 -2.021 -12.038 403 HB ILE 61 HB ILE 61 1.038 -2.179 -10.095 404 1HG1 ILE 61 1HG1 ILE 61 -1.431 -3.120 -10.544 405 2HG1 ILE 61 2HG1 ILE 61 -0.557 -4.114 -11.705 406 1HG2 ILE 61 1HG2 ILE 61 0.492 -0.355 -11.647 407 2HG2 ILE 61 2HG2 ILE 61 -0.879 -0.837 -10.648 408 3HG2 ILE 61 3HG2 ILE 61 -0.792 -1.347 -12.336 409 1HD1 ILE 61 1HD1 ILE 61 0.901 -4.906 -9.908 410 2HD1 ILE 61 2HD1 ILE 61 -0.798 -5.271 -9.595 411 3HD1 ILE 61 3HD1 ILE 61 -0.011 -3.935 -8.752 412 H THR 62 H THR 62 3.277 -3.412 -10.281 413 HA THR 62 HA THR 62 2.803 -6.258 -10.574 414 HB THR 62 HB THR 62 5.397 -4.872 -11.141 415 HG1 THR 62 HG1 THR 62 3.596 -6.052 -12.604 416 1HG2 THR 62 1HG2 THR 62 5.960 -6.473 -9.407 417 2HG2 THR 62 2HG2 THR 62 6.564 -7.035 -10.966 418 3HG2 THR 62 3HG2 THR 62 5.104 -7.747 -10.277 419 H VAL 63 H VAL 63 2.291 -6.805 -8.585 420 HA VAL 63 HA VAL 63 2.902 -5.410 -6.243 421 HB VAL 63 HB VAL 63 1.130 -7.316 -6.772 422 1HG1 VAL 63 1HG1 VAL 63 3.385 -8.835 -5.511 423 2HG1 VAL 63 2HG1 VAL 63 2.665 -9.114 -7.099 424 3HG1 VAL 63 3HG1 VAL 63 1.722 -9.413 -5.638 425 1HG2 VAL 63 1HG2 VAL 63 2.380 -6.940 -4.057 426 2HG2 VAL 63 2HG2 VAL 63 0.776 -7.604 -4.370 427 3HG2 VAL 63 3HG2 VAL 63 1.129 -5.924 -4.774 428 H ILE 64 H ILE 64 4.746 -5.308 -5.085 429 HA ILE 64 HA ILE 64 6.813 -7.212 -5.727 430 HB ILE 64 HB ILE 64 8.375 -5.750 -4.655 431 1HG1 ILE 64 1HG1 ILE 64 6.571 -5.074 -2.854 432 2HG1 ILE 64 2HG1 ILE 64 7.890 -3.984 -3.252 433 1HG2 ILE 64 1HG2 ILE 64 7.745 -5.194 -6.913 434 2HG2 ILE 64 2HG2 ILE 64 8.050 -3.715 -5.999 435 3HG2 ILE 64 3HG2 ILE 64 6.393 -4.226 -6.325 436 1HD1 ILE 64 1HD1 ILE 64 6.341 -2.781 -4.781 437 2HD1 ILE 64 2HD1 ILE 64 5.864 -2.741 -3.081 438 3HD1 ILE 64 3HD1 ILE 64 5.040 -3.825 -4.197 439 H LYS 65 H LYS 65 4.425 -7.829 -3.719 440 HA LYS 65 HA LYS 65 6.189 -8.867 -1.666 441 1HB LYS 65 1HB LYS 65 3.904 -7.004 -1.315 442 2HB LYS 65 2HB LYS 65 3.911 -8.400 -0.255 443 1HG LYS 65 1HG LYS 65 4.927 -6.587 0.892 444 2HG LYS 65 2HG LYS 65 6.192 -7.746 0.486 445 1HD LYS 65 1HD LYS 65 6.991 -6.381 -1.284 446 2HD LYS 65 2HD LYS 65 5.580 -5.326 -1.193 447 1HE LYS 65 1HE LYS 65 7.637 -4.355 -0.186 448 2HE LYS 65 2HE LYS 65 6.275 -4.465 0.925 449 1HZ LYS 65 1HZ LYS 65 8.472 -5.157 1.846 450 2HZ LYS 65 2HZ LYS 65 8.430 -6.503 0.810 451 3HZ LYS 65 3HZ LYS 65 7.241 -6.310 2.005 452 H ASP 66 H ASP 66 5.328 -10.824 -0.762 453 HA ASP 66 HA ASP 66 3.315 -12.087 -2.402 454 1HB ASP 66 1HB ASP 66 3.796 -14.143 -1.160 455 2HB ASP 66 2HB ASP 66 5.260 -13.402 -1.789 456 H LEU 67 H LEU 67 1.334 -11.669 -2.119 457 HA LEU 67 HA LEU 67 0.123 -11.761 0.568 458 1HB LEU 67 1HB LEU 67 -1.081 -10.257 -1.742 459 2HB LEU 67 2HB LEU 67 -1.425 -10.090 -0.035 460 HG LEU 67 HG LEU 67 1.062 -9.129 -1.447 461 1HD1 LEU 67 1HD1 LEU 67 -1.253 -7.617 -0.239 462 2HD1 LEU 67 2HD1 LEU 67 -0.913 -7.795 -1.961 463 3HD1 LEU 67 3HD1 LEU 67 0.202 -6.899 -0.930 464 1HD2 LEU 67 1HD2 LEU 67 1.591 -8.060 0.714 465 2HD2 LEU 67 2HD2 LEU 67 1.621 -9.823 0.785 466 3HD2 LEU 67 3HD2 LEU 67 0.245 -8.936 1.447 467 H LYS 68 H LYS 68 -1.883 -12.882 0.664 468 HA LYS 68 HA LYS 68 -2.511 -14.511 -1.677 469 1HB LYS 68 1HB LYS 68 -3.978 -15.800 -0.249 470 2HB LYS 68 2HB LYS 68 -2.400 -15.628 0.505 471 1HG LYS 68 1HG LYS 68 -3.176 -14.242 2.163 472 2HG LYS 68 2HG LYS 68 -4.558 -13.698 1.210 473 1HD LYS 68 1HD LYS 68 -5.188 -15.186 3.086 474 2HD LYS 68 2HD LYS 68 -5.660 -15.819 1.510 475 1HE LYS 68 1HE LYS 68 -3.714 -17.294 1.512 476 2HE LYS 68 2HE LYS 68 -3.216 -16.646 3.076 477 1HZ LYS 68 1HZ LYS 68 -4.389 -18.760 3.291 478 2HZ LYS 68 2HZ LYS 68 -5.762 -18.087 2.554 479 3HZ LYS 68 3HZ LYS 68 -5.234 -17.504 4.058 480 H VAL 69 H VAL 69 -5.082 -14.969 -1.721 481 HA VAL 69 HA VAL 69 -6.405 -12.350 -1.958 482 HB VAL 69 HB VAL 69 -6.700 -14.603 -3.964 483 1HG1 VAL 69 1HG1 VAL 69 -8.014 -12.978 -5.248 484 2HG1 VAL 69 2HG1 VAL 69 -7.838 -11.810 -3.939 485 3HG1 VAL 69 3HG1 VAL 69 -8.738 -13.303 -3.672 486 1HG2 VAL 69 1HG2 VAL 69 -5.567 -13.138 -5.553 487 2HG2 VAL 69 2HG2 VAL 69 -4.521 -13.514 -4.183 488 3HG2 VAL 69 3HG2 VAL 69 -5.316 -11.942 -4.281 489 H LYS 70 H LYS 70 -8.472 -12.335 -1.062 490 HA LYS 70 HA LYS 70 -9.091 -14.569 0.598 491 1HB LYS 70 1HB LYS 70 -10.689 -12.059 0.066 492 2HB LYS 70 2HB LYS 70 -10.896 -13.163 1.419 493 1HG LYS 70 1HG LYS 70 -8.335 -11.686 0.928 494 2HG LYS 70 2HG LYS 70 -9.659 -11.005 1.873 495 1HD LYS 70 1HD LYS 70 -8.280 -13.624 2.465 496 2HD LYS 70 2HD LYS 70 -7.928 -12.093 3.269 497 1HE LYS 70 1HE LYS 70 -10.317 -11.997 3.976 498 2HE LYS 70 2HE LYS 70 -10.528 -13.616 3.312 499 1HZ LYS 70 1HZ LYS 70 -8.648 -12.872 5.489 500 2HZ LYS 70 2HZ LYS 70 -8.855 -14.431 4.857 501 3HZ LYS 70 3HZ LYS 70 -10.125 -13.679 5.693 502 H GLY 71 H GLY 71 -10.385 -16.212 0.176 503 1HA GLY 71 1HA GLY 71 -12.242 -17.370 -0.538 504 2HA GLY 71 2HA GLY 71 -12.882 -15.865 -1.173 505 H SER 72 H SER 72 -10.090 -15.830 -2.651 506 HA SER 72 HA SER 72 -11.134 -17.342 -4.944 507 1HB SER 72 1HB SER 72 -9.192 -15.020 -4.892 508 2HB SER 72 2HB SER 72 -9.833 -15.798 -6.338 509 HG SER 72 HG SER 72 -11.347 -14.434 -4.356 510 H SER 73 H SER 73 -9.649 -18.503 -6.286 511 HA SER 73 HA SER 73 -7.533 -19.783 -4.810 512 1HB SER 73 1HB SER 73 -8.365 -20.144 -7.700 513 2HB SER 73 2HB SER 73 -7.350 -21.236 -6.758 514 HG SER 73 HG SER 73 -9.110 -22.138 -6.076 515 H LEU 74 H LEU 74 -7.610 -16.897 -6.138 516 HA LEU 74 HA LEU 74 -5.202 -16.898 -7.685 517 1HB LEU 74 1HB LEU 74 -6.958 -14.729 -6.563 518 2HB LEU 74 2HB LEU 74 -5.446 -14.372 -7.364 519 HG LEU 74 HG LEU 74 -7.217 -14.058 -8.937 520 1HD1 LEU 74 1HD1 LEU 74 -5.796 -16.650 -9.504 521 2HD1 LEU 74 2HD1 LEU 74 -5.192 -15.028 -9.845 522 3HD1 LEU 74 3HD1 LEU 74 -6.610 -15.640 -10.699 523 1HD2 LEU 74 1HD2 LEU 74 -8.767 -15.835 -9.563 524 2HD2 LEU 74 2HD2 LEU 74 -8.931 -15.407 -7.860 525 3HD2 LEU 74 3HD2 LEU 74 -8.075 -16.878 -8.321 526 H VAL 75 H VAL 75 -3.554 -14.985 -6.795 527 HA VAL 75 HA VAL 75 -2.764 -15.338 -4.179 528 HB VAL 75 HB VAL 75 -1.337 -17.115 -6.168 529 1HG1 VAL 75 1HG1 VAL 75 -0.488 -16.322 -3.382 530 2HG1 VAL 75 2HG1 VAL 75 0.298 -15.836 -4.885 531 3HG1 VAL 75 3HG1 VAL 75 0.310 -17.529 -4.392 532 1HG2 VAL 75 1HG2 VAL 75 -1.729 -18.870 -4.482 533 2HG2 VAL 75 2HG2 VAL 75 -3.236 -18.177 -5.083 534 3HG2 VAL 75 3HG2 VAL 75 -2.619 -17.704 -3.496 535 H VAL 76 H VAL 76 -1.709 -13.472 -3.908 536 HA VAL 76 HA VAL 76 -0.737 -12.113 -6.301 537 HB VAL 76 HB VAL 76 -1.323 -11.070 -3.523 538 1HG1 VAL 76 1HG1 VAL 76 0.497 -9.820 -4.490 539 2HG1 VAL 76 2HG1 VAL 76 -0.974 -8.846 -4.471 540 3HG1 VAL 76 3HG1 VAL 76 -0.423 -9.589 -5.975 541 1HG2 VAL 76 1HG2 VAL 76 -3.163 -9.890 -4.625 542 2HG2 VAL 76 2HG2 VAL 76 -3.316 -11.639 -4.793 543 3HG2 VAL 76 3HG2 VAL 76 -2.742 -10.670 -6.150 544 H LYS 77 H LYS 77 1.253 -12.866 -6.680 545 HA LYS 77 HA LYS 77 3.144 -12.873 -4.423 546 1HB LYS 77 1HB LYS 77 4.534 -14.458 -5.774 547 2HB LYS 77 2HB LYS 77 2.985 -15.087 -5.245 548 1HG LYS 77 1HG LYS 77 3.238 -15.853 -7.432 549 2HG LYS 77 2HG LYS 77 2.127 -14.491 -7.563 550 1HD LYS 77 1HD LYS 77 3.741 -13.111 -8.520 551 2HD LYS 77 2HD LYS 77 5.073 -14.109 -7.940 552 1HE LYS 77 1HE LYS 77 3.081 -14.900 -10.060 553 2HE LYS 77 2HE LYS 77 4.726 -14.340 -10.362 554 1HZ LYS 77 1HZ LYS 77 3.920 -16.822 -8.942 555 2HZ LYS 77 2HZ LYS 77 5.513 -16.254 -9.022 556 3HZ LYS 77 3HZ LYS 77 4.706 -16.713 -10.441 557 H VAL 78 H VAL 78 5.238 -12.109 -4.688 558 HA VAL 78 HA VAL 78 5.476 -9.621 -5.869 559 HB VAL 78 HB VAL 78 7.029 -10.203 -4.169 560 1HG1 VAL 78 1HG1 VAL 78 7.130 -12.598 -4.497 561 2HG1 VAL 78 2HG1 VAL 78 8.760 -11.925 -4.444 562 3HG1 VAL 78 3HG1 VAL 78 8.043 -12.379 -5.990 563 1HG2 VAL 78 1HG2 VAL 78 9.193 -9.632 -5.172 564 2HG2 VAL 78 2HG2 VAL 78 7.890 -8.628 -5.808 565 3HG2 VAL 78 3HG2 VAL 78 8.530 -9.957 -6.774 566 H GLY 79 H GLY 79 4.836 -9.495 -7.956 567 1HA GLY 79 1HA GLY 79 6.186 -9.306 -10.143 568 2HA GLY 79 2HA GLY 79 6.300 -11.054 -9.982 569 H THR 80 H THR 80 3.470 -10.153 -8.697 570 HA THR 80 HA THR 80 1.814 -11.202 -10.729 571 HB THR 80 HB THR 80 0.997 -9.385 -8.453 572 HG1 THR 80 HG1 THR 80 0.842 -12.228 -8.759 573 1HG2 THR 80 1HG2 THR 80 -0.671 -9.359 -10.246 574 2HG2 THR 80 2HG2 THR 80 -1.272 -10.236 -8.839 575 3HG2 THR 80 3HG2 THR 80 -0.699 -11.122 -10.252 576 H LYS 81 H LYS 81 1.749 -10.367 -12.634 577 HA LYS 81 HA LYS 81 1.967 -7.479 -12.988 578 1HB LYS 81 1HB LYS 81 3.329 -8.855 -14.464 579 2HB LYS 81 2HB LYS 81 1.885 -9.651 -15.092 580 1HG LYS 81 1HG LYS 81 1.109 -7.379 -15.847 581 2HG LYS 81 2HG LYS 81 2.716 -6.783 -15.434 582 1HD LYS 81 1HD LYS 81 2.602 -7.271 -17.793 583 2HD LYS 81 2HD LYS 81 3.690 -8.413 -17.003 584 1HE LYS 81 1HE LYS 81 2.051 -10.138 -17.070 585 2HE LYS 81 2HE LYS 81 0.795 -9.008 -17.571 586 1HZ LYS 81 1HZ LYS 81 3.192 -9.671 -19.198 587 2HZ LYS 81 2HZ LYS 81 1.865 -8.729 -19.675 588 3HZ LYS 81 3HZ LYS 81 1.668 -10.390 -19.400 589 H VAL 82 H VAL 82 0.212 -6.281 -12.892 590 HA VAL 82 HA VAL 82 -2.200 -7.269 -14.248 591 HB VAL 82 HB VAL 82 -2.168 -5.517 -11.779 592 1HG1 VAL 82 1HG1 VAL 82 -4.598 -5.900 -11.785 593 2HG1 VAL 82 2HG1 VAL 82 -4.442 -6.783 -13.303 594 3HG1 VAL 82 3HG1 VAL 82 -4.050 -5.065 -13.238 595 1HG2 VAL 82 1HG2 VAL 82 -2.904 -8.433 -12.041 596 2HG2 VAL 82 2HG2 VAL 82 -3.116 -7.446 -10.594 597 3HG2 VAL 82 3HG2 VAL 82 -1.495 -7.785 -11.202 598 H LYS 83 H LYS 83 -2.493 -6.076 -15.984 599 HA LYS 83 HA LYS 83 -1.285 -3.456 -16.121 600 1HB LYS 83 1HB LYS 83 -1.761 -3.691 -18.590 601 2HB LYS 83 2HB LYS 83 -0.618 -4.841 -17.912 602 1HG LYS 83 1HG LYS 83 -2.318 -6.557 -17.862 603 2HG LYS 83 2HG LYS 83 -3.527 -5.412 -18.434 604 1HD LYS 83 1HD LYS 83 -1.066 -6.287 -19.946 605 2HD LYS 83 2HD LYS 83 -2.714 -6.843 -20.248 606 1HE LYS 83 1HE LYS 83 -3.368 -4.514 -20.755 607 2HE LYS 83 2HE LYS 83 -1.691 -4.018 -20.532 608 1HZ LYS 83 1HZ LYS 83 -2.706 -5.907 -22.589 609 2HZ LYS 83 2HZ LYS 83 -1.073 -5.515 -22.355 610 3HZ LYS 83 3HZ LYS 83 -2.168 -4.319 -22.858 611 H ASN 84 H ASN 84 -2.352 -1.795 -17.274 612 HA ASN 84 HA ASN 84 -3.971 -0.383 -17.836 613 1HB ASN 84 1HB ASN 84 -5.901 -1.133 -18.976 614 2HB ASN 84 2HB ASN 84 -4.606 -2.258 -19.345 615 1HD2 ASN 84 1HD2 ASN 84 -4.821 -4.339 -18.848 616 2HD2 ASN 84 2HD2 ASN 84 -6.214 -5.027 -18.125 617 H ILE 85 H ILE 85 -3.562 -0.601 -15.030 618 HA ILE 85 HA ILE 85 -5.870 -1.078 -13.548 619 HB ILE 85 HB ILE 85 -4.670 0.214 -11.819 620 1HG1 ILE 85 1HG1 ILE 85 -2.458 0.592 -13.845 621 2HG1 ILE 85 2HG1 ILE 85 -3.692 1.818 -13.598 622 1HG2 ILE 85 1HG2 ILE 85 -2.952 -1.735 -13.352 623 2HG2 ILE 85 2HG2 ILE 85 -4.183 -2.151 -12.159 624 3HG2 ILE 85 3HG2 ILE 85 -2.734 -1.277 -11.663 625 1HD1 ILE 85 1HD1 ILE 85 -3.006 2.010 -11.249 626 2HD1 ILE 85 2HD1 ILE 85 -1.685 2.370 -12.359 627 3HD1 ILE 85 3HD1 ILE 85 -1.740 0.816 -11.526 628 H ARG 86 H ARG 86 -6.594 0.689 -12.040 629 HA ARG 86 HA ARG 86 -7.179 3.228 -13.411 630 1HB ARG 86 1HB ARG 86 -9.254 2.135 -13.473 631 2HB ARG 86 2HB ARG 86 -8.983 1.324 -11.943 632 1HG ARG 86 1HG ARG 86 -10.721 2.982 -11.723 633 2HG ARG 86 2HG ARG 86 -9.314 3.450 -10.769 634 1HD ARG 86 1HD ARG 86 -10.395 5.305 -12.048 635 2HD ARG 86 2HD ARG 86 -8.674 5.084 -12.365 636 HE ARG 86 HE ARG 86 -9.213 4.127 -14.481 637 1HH1 ARG 86 1HH1 ARG 86 -11.893 5.652 -12.818 638 2HH1 ARG 86 2HH1 ARG 86 -12.936 5.632 -14.215 639 1HH2 ARG 86 1HH2 ARG 86 -10.541 4.114 -16.310 640 2HH2 ARG 86 2HH2 ARG 86 -12.152 4.778 -16.222 641 H LEU 87 H LEU 87 -6.430 4.956 -12.214 642 HA LEU 87 HA LEU 87 -5.637 4.558 -9.476 643 1HB LEU 87 1HB LEU 87 -5.837 7.128 -11.054 644 2HB LEU 87 2HB LEU 87 -4.947 6.879 -9.563 645 HG LEU 87 HG LEU 87 -4.290 5.594 -12.211 646 1HD1 LEU 87 1HD1 LEU 87 -3.878 7.995 -12.224 647 2HD1 LEU 87 2HD1 LEU 87 -2.368 7.083 -12.239 648 3HD1 LEU 87 3HD1 LEU 87 -2.928 7.838 -10.748 649 1HD2 LEU 87 1HD2 LEU 87 -3.651 4.214 -10.302 650 2HD2 LEU 87 2HD2 LEU 87 -2.787 5.582 -9.601 651 3HD2 LEU 87 3HD2 LEU 87 -2.238 4.877 -11.121 652 H VAL 88 H VAL 88 -7.014 4.749 -7.814 653 HA VAL 88 HA VAL 88 -9.737 5.361 -8.398 654 HB VAL 88 HB VAL 88 -8.595 4.916 -5.645 655 1HG1 VAL 88 1HG1 VAL 88 -10.774 3.936 -5.209 656 2HG1 VAL 88 2HG1 VAL 88 -11.264 4.278 -6.874 657 3HG1 VAL 88 3HG1 VAL 88 -10.922 5.606 -5.759 658 1HG2 VAL 88 1HG2 VAL 88 -7.705 3.114 -6.903 659 2HG2 VAL 88 2HG2 VAL 88 -9.222 2.884 -7.780 660 3HG2 VAL 88 3HG2 VAL 88 -9.123 2.487 -6.061 661 H ASP 89 H ASP 89 -10.938 7.080 -7.869 662 HA ASP 89 HA ASP 89 -9.683 9.574 -7.869 663 1HB ASP 89 1HB ASP 89 -11.898 9.281 -8.804 664 2HB ASP 89 2HB ASP 89 -12.547 8.853 -7.224 665 H GLY 90 H GLY 90 -11.610 8.124 -5.229 666 1HA GLY 90 1HA GLY 90 -10.624 10.264 -3.486 667 2HA GLY 90 2HA GLY 90 -11.976 9.196 -3.139 668 H ASP 91 H ASP 91 -10.886 6.742 -3.524 669 HA ASP 91 HA ASP 91 -9.230 6.432 -1.207 670 1HB ASP 91 1HB ASP 91 -10.154 4.452 -3.303 671 2HB ASP 91 2HB ASP 91 -9.221 4.010 -1.876 672 H HIS 92 H HIS 92 -7.061 6.247 -1.127 673 HA HIS 92 HA HIS 92 -5.574 6.720 -3.554 674 1HB HIS 92 1HB HIS 92 -4.794 6.520 -0.656 675 2HB HIS 92 2HB HIS 92 -3.581 6.588 -1.931 676 HD1 HIS 92 HD1 HIS 92 -2.713 8.894 -2.135 677 HD2 HIS 92 HD2 HIS 92 -6.773 8.851 -1.247 678 HE1 HIS 92 HE1 HIS 92 -3.420 11.304 -2.074 679 HE2 HIS 92 HE2 HIS 92 -5.825 11.257 -1.339 680 H ASP 93 H ASP 93 -6.831 4.477 -3.943 681 HA ASP 93 HA ASP 93 -4.878 2.341 -3.534 682 1HB ASP 93 1HB ASP 93 -7.858 2.246 -3.409 683 2HB ASP 93 2HB ASP 93 -6.904 0.794 -3.686 684 H ILE 94 H ILE 94 -5.464 0.458 -5.104 685 HA ILE 94 HA ILE 94 -5.660 1.654 -7.789 686 HB ILE 94 HB ILE 94 -4.176 -0.837 -6.982 687 1HG1 ILE 94 1HG1 ILE 94 -3.078 1.860 -7.793 688 2HG1 ILE 94 2HG1 ILE 94 -3.224 1.318 -6.123 689 1HG2 ILE 94 1HG2 ILE 94 -4.984 -0.927 -9.274 690 2HG2 ILE 94 2HG2 ILE 94 -3.231 -0.732 -9.244 691 3HG2 ILE 94 3HG2 ILE 94 -4.266 0.650 -9.604 692 1HD1 ILE 94 1HD1 ILE 94 -1.556 0.046 -8.269 693 2HD1 ILE 94 2HD1 ILE 94 -1.738 -0.549 -6.617 694 3HD1 ILE 94 3HD1 ILE 94 -0.976 1.016 -6.913 695 H ASP 95 H ASP 95 -7.367 1.171 -8.877 696 HA ASP 95 HA ASP 95 -8.751 -1.319 -8.337 697 1HB ASP 95 1HB ASP 95 -10.045 0.724 -8.425 698 2HB ASP 95 2HB ASP 95 -9.451 1.081 -10.039 699 H CYS 96 H CYS 96 -8.806 -2.990 -9.763 700 HA CYS 96 HA CYS 96 -7.340 -2.631 -12.270 701 1HB CYS 96 1HB CYS 96 -6.065 -4.718 -11.863 702 2HB CYS 96 2HB CYS 96 -5.656 -3.427 -10.739 703 HG CYS 96 HG CYS 96 -7.642 -4.659 -8.868 704 H LYS 97 H LYS 97 -7.933 -3.939 -13.913 705 HA LYS 97 HA LYS 97 -10.365 -5.528 -13.481 706 1HB LYS 97 1HB LYS 97 -9.274 -4.238 -15.998 707 2HB LYS 97 2HB LYS 97 -10.739 -5.210 -15.917 708 1HG LYS 97 1HG LYS 97 -11.819 -3.598 -14.528 709 2HG LYS 97 2HG LYS 97 -10.323 -2.678 -14.346 710 1HD LYS 97 1HD LYS 97 -10.345 -2.141 -16.718 711 2HD LYS 97 2HD LYS 97 -11.799 -3.115 -16.942 712 1HE LYS 97 1HE LYS 97 -12.272 -0.696 -16.803 713 2HE LYS 97 2HE LYS 97 -13.067 -1.625 -15.534 714 1HZ LYS 97 1HZ LYS 97 -11.364 -0.943 -13.988 715 2HZ LYS 97 2HZ LYS 97 -12.067 0.423 -14.692 716 3HZ LYS 97 3HZ LYS 97 -10.536 -0.099 -15.205 717 H ILE 98 H ILE 98 -10.118 -7.683 -13.570 718 HA ILE 98 HA ILE 98 -7.609 -8.660 -14.765 719 HB ILE 98 HB ILE 98 -9.019 -9.746 -12.328 720 1HG1 ILE 98 1HG1 ILE 98 -6.312 -8.430 -12.421 721 2HG1 ILE 98 2HG1 ILE 98 -7.784 -7.492 -12.182 722 1HG2 ILE 98 1HG2 ILE 98 -6.405 -10.540 -13.608 723 2HG2 ILE 98 2HG2 ILE 98 -7.888 -11.494 -13.591 724 3HG2 ILE 98 3HG2 ILE 98 -7.031 -11.168 -12.084 725 1HD1 ILE 98 1HD1 ILE 98 -6.821 -9.734 -10.428 726 2HD1 ILE 98 2HD1 ILE 98 -8.283 -8.777 -10.188 727 3HD1 ILE 98 3HD1 ILE 98 -6.698 -8.010 -10.077 728 H ASP 99 H ASP 99 -8.047 -9.751 -16.548 729 HA ASP 99 HA ASP 99 -10.509 -10.939 -17.214 730 1HB ASP 99 1HB ASP 99 -8.575 -10.389 -18.791 731 2HB ASP 99 2HB ASP 99 -7.829 -11.874 -18.208 732 H GLY 100 H GLY 100 -11.409 -12.506 -16.059 733 1HA GLY 100 1HA GLY 100 -10.895 -15.049 -15.967 734 2HA GLY 100 2HA GLY 100 -9.685 -14.511 -14.813 735 H ILE 101 H ILE 101 -10.701 -12.840 -13.190 736 HA ILE 101 HA ILE 101 -13.076 -14.173 -12.076 737 HB ILE 101 HB ILE 101 -12.326 -13.314 -9.867 738 1HG1 ILE 101 1HG1 ILE 101 -9.769 -12.610 -11.331 739 2HG1 ILE 101 2HG1 ILE 101 -10.940 -11.435 -10.745 740 1HG2 ILE 101 1HG2 ILE 101 -10.512 -14.942 -9.585 741 2HG2 ILE 101 2HG2 ILE 101 -10.363 -15.068 -11.338 742 3HG2 ILE 101 3HG2 ILE 101 -11.845 -15.591 -10.538 743 1HD1 ILE 101 1HD1 ILE 101 -9.041 -11.623 -9.246 744 2HD1 ILE 101 2HD1 ILE 101 -9.354 -13.347 -9.046 745 3HD1 ILE 101 3HD1 ILE 101 -10.521 -12.164 -8.454 746 H GLY 102 H GLY 102 -11.593 -11.035 -12.718 747 1HA GLY 102 1HA GLY 102 -13.483 -9.490 -13.561 748 2HA GLY 102 2HA GLY 102 -14.093 -9.717 -11.927 749 H ALA 103 H ALA 103 -13.866 -7.561 -11.351 750 HA ALA 103 HA ALA 103 -11.238 -6.333 -11.522 751 1HB ALA 103 1HB ALA 103 -13.209 -4.997 -12.094 752 2HB ALA 103 2HB ALA 103 -12.341 -4.312 -10.721 753 3HB ALA 103 3HB ALA 103 -13.834 -5.214 -10.460 754 H MET 104 H MET 104 -10.059 -5.623 -9.745 755 HA MET 104 HA MET 104 -10.897 -6.466 -7.079 756 1HB MET 104 1HB MET 104 -9.676 -8.398 -8.043 757 2HB MET 104 2HB MET 104 -8.288 -7.363 -8.336 758 1HG MET 104 1HG MET 104 -7.926 -7.070 -5.995 759 2HG MET 104 2HG MET 104 -9.432 -7.891 -5.607 760 1HE MET 104 1HE MET 104 -6.600 -8.812 -8.222 761 2HE MET 104 2HE MET 104 -5.641 -9.938 -7.263 762 3HE MET 104 3HE MET 104 -5.738 -8.240 -6.794 763 H LYS 105 H LYS 105 -9.325 -5.626 -5.408 764 HA LYS 105 HA LYS 105 -8.125 -3.107 -6.323 765 1HB LYS 105 1HB LYS 105 -8.369 -2.376 -3.903 766 2HB LYS 105 2HB LYS 105 -9.855 -2.509 -4.830 767 1HG LYS 105 1HG LYS 105 -8.956 -4.813 -3.162 768 2HG LYS 105 2HG LYS 105 -9.730 -3.424 -2.395 769 1HD LYS 105 1HD LYS 105 -11.666 -3.685 -3.851 770 2HD LYS 105 2HD LYS 105 -10.886 -5.041 -4.666 771 1HE LYS 105 1HE LYS 105 -10.932 -6.342 -2.641 772 2HE LYS 105 2HE LYS 105 -11.559 -4.969 -1.729 773 1HZ LYS 105 1HZ LYS 105 -13.572 -5.038 -3.012 774 2HZ LYS 105 2HZ LYS 105 -13.291 -6.572 -2.339 775 3HZ LYS 105 3HZ LYS 105 -12.970 -6.292 -3.982 776 H LEU 106 H LEU 106 -6.143 -2.489 -5.460 777 HA LEU 106 HA LEU 106 -4.545 -4.646 -4.258 778 1HB LEU 106 1HB LEU 106 -3.671 -2.813 -6.491 779 2HB LEU 106 2HB LEU 106 -2.721 -4.090 -5.757 780 HG LEU 106 HG LEU 106 -5.272 -4.588 -7.288 781 1HD1 LEU 106 1HD1 LEU 106 -3.801 -5.281 -9.122 782 2HD1 LEU 106 2HD1 LEU 106 -2.402 -4.738 -8.193 783 3HD1 LEU 106 3HD1 LEU 106 -3.607 -3.569 -8.736 784 1HD2 LEU 106 1HD2 LEU 106 -4.469 -6.884 -7.352 785 2HD2 LEU 106 2HD2 LEU 106 -4.648 -6.332 -5.687 786 3HD2 LEU 106 3HD2 LEU 106 -3.045 -6.430 -6.415 787 H LYS 107 H LYS 107 -3.110 -3.997 -2.811 788 HA LYS 107 HA LYS 107 -3.407 -1.357 -1.761 789 1HB LYS 107 1HB LYS 107 -2.926 -3.726 -0.566 790 2HB LYS 107 2HB LYS 107 -1.284 -3.103 -0.664 791 1HG LYS 107 1HG LYS 107 -2.197 -2.469 1.444 792 2HG LYS 107 2HG LYS 107 -2.080 -1.018 0.443 793 1HD LYS 107 1HD LYS 107 -4.533 -1.631 -0.217 794 2HD LYS 107 2HD LYS 107 -4.499 -2.559 1.283 795 1HE LYS 107 1HE LYS 107 -5.393 -0.413 1.792 796 2HE LYS 107 2HE LYS 107 -3.760 -0.476 2.453 797 1HZ LYS 107 1HZ LYS 107 -2.955 0.795 0.586 798 2HZ LYS 107 2HZ LYS 107 -4.250 1.620 1.309 799 3HZ LYS 107 3HZ LYS 107 -4.495 0.783 -0.142 800 H SER 108 H SER 108 -2.410 0.276 -2.478 801 HA SER 108 HA SER 108 -0.440 0.403 -4.363 802 1HB SER 108 1HB SER 108 -0.725 2.457 -2.180 803 2HB SER 108 2HB SER 108 -0.405 2.710 -3.899 804 HG SER 108 HG SER 108 -2.671 3.030 -2.970 805 H GLU 109 H GLU 109 -0.098 0.385 -0.830 806 HA GLU 109 HA GLU 109 2.676 0.805 -0.762 807 1HB GLU 109 1HB GLU 109 1.156 -0.730 1.320 808 2HB GLU 109 2HB GLU 109 2.531 0.342 1.536 809 1HG GLU 109 1HG GLU 109 0.882 1.667 2.292 810 2HG GLU 109 2HG GLU 109 0.852 2.134 0.602 811 H PHE 110 H PHE 110 0.955 -1.924 -1.720 812 HA PHE 110 HA PHE 110 3.320 -3.602 -1.170 813 1HB PHE 110 1HB PHE 110 0.437 -4.305 -1.574 814 2HB PHE 110 2HB PHE 110 1.704 -5.515 -1.674 815 HD1 PHE 110 HD1 PHE 110 2.845 -6.280 0.294 816 HD2 PHE 110 HD2 PHE 110 -0.059 -3.185 0.561 817 HE1 PHE 110 HE1 PHE 110 2.804 -6.530 2.741 818 HE2 PHE 110 HE2 PHE 110 -0.112 -3.433 3.002 819 HZ PHE 110 HZ PHE 110 1.324 -5.107 4.100 820 H VAL 111 H VAL 111 2.179 -1.800 -3.636 821 HA VAL 111 HA VAL 111 2.893 -3.841 -5.636 822 HB VAL 111 HB VAL 111 1.509 -2.635 -7.270 823 1HG1 VAL 111 1HG1 VAL 111 0.534 -4.501 -6.056 824 2HG1 VAL 111 2HG1 VAL 111 -0.682 -3.254 -6.339 825 3HG1 VAL 111 3HG1 VAL 111 0.056 -3.422 -4.744 826 1HG2 VAL 111 1HG2 VAL 111 1.708 -0.425 -6.193 827 2HG2 VAL 111 2HG2 VAL 111 0.615 -0.978 -4.923 828 3HG2 VAL 111 3HG2 VAL 111 0.050 -0.861 -6.587 829 H ARG 112 H ARG 112 3.516 -2.769 -7.783 830 HA ARG 112 HA ARG 112 5.116 -0.376 -7.416 831 1HB ARG 112 1HB ARG 112 6.873 -1.788 -7.026 832 2HB ARG 112 2HB ARG 112 6.192 -3.093 -7.992 833 1HG ARG 112 1HG ARG 112 6.946 -2.172 -9.985 834 2HG ARG 112 2HG ARG 112 7.174 -0.571 -9.273 835 1HD ARG 112 1HD ARG 112 8.982 -1.593 -7.851 836 2HD ARG 112 2HD ARG 112 8.825 -3.041 -8.839 837 HE ARG 112 HE ARG 112 9.174 -0.902 -10.576 838 1HH1 ARG 112 1HH1 ARG 112 11.030 -2.583 -8.104 839 2HH1 ARG 112 2HH1 ARG 112 12.563 -2.104 -8.779 840 1HH2 ARG 112 1HH2 ARG 112 11.157 -0.315 -11.451 841 2HH2 ARG 112 2HH2 ARG 112 12.638 -0.843 -10.703 842 H LYS 113 H LYS 113 4.962 0.922 -9.042 843 HA LYS 113 HA LYS 113 3.544 0.339 -11.406 844 1HB LYS 113 1HB LYS 113 3.646 2.565 -10.374 845 2HB LYS 113 2HB LYS 113 5.368 2.645 -10.705 846 1HG LYS 113 1HG LYS 113 3.636 2.171 -13.031 847 2HG LYS 113 2HG LYS 113 3.494 3.751 -12.256 848 1HD LYS 113 1HD LYS 113 5.938 4.015 -12.425 849 2HD LYS 113 2HD LYS 113 6.022 2.473 -13.282 850 1HE LYS 113 1HE LYS 113 6.032 4.338 -14.834 851 2HE LYS 113 2HE LYS 113 4.588 3.351 -15.023 852 1HZ LYS 113 1HZ LYS 113 3.243 4.958 -14.188 853 2HZ LYS 113 2HZ LYS 113 4.414 5.939 -14.923 854 3HZ LYS 113 3HZ LYS 113 4.454 5.679 -13.247 855 H VAL 114 H VAL 114 4.240 -0.712 -13.101 856 HA VAL 114 HA VAL 114 7.010 -1.404 -13.463 857 HB VAL 114 HB VAL 114 4.701 -1.933 -15.343 858 1HG1 VAL 114 1HG1 VAL 114 7.391 -3.265 -15.062 859 2HG1 VAL 114 2HG1 VAL 114 6.867 -2.227 -16.388 860 3HG1 VAL 114 3HG1 VAL 114 6.096 -3.794 -16.137 861 1HG2 VAL 114 1HG2 VAL 114 4.550 -4.142 -14.290 862 2HG2 VAL 114 2HG2 VAL 114 4.182 -2.840 -13.159 863 3HG2 VAL 114 3HG2 VAL 114 5.751 -3.644 -13.097 864 H GLY 115 H GLY 115 4.592 0.474 -15.261 865 1HA GLY 115 1HA GLY 115 4.989 2.386 -16.546 866 2HA GLY 115 2HA GLY 115 6.717 2.090 -16.415 867 H SER 116 H SER 116 4.143 -0.073 -17.514 868 HA SER 116 HA SER 116 5.097 0.192 -20.257 869 1HB SER 116 1HB SER 116 4.860 -2.487 -18.858 870 2HB SER 116 2HB SER 116 5.289 -2.232 -20.551 871 HG SER 116 HG SER 116 6.859 -0.771 -18.890 Start of MODEL 18 1 H MET 1 H MET 1 -0.137 23.515 15.324 2 HA MET 1 HA MET 1 -1.066 22.502 17.923 3 1HB MET 1 1HB MET 1 -1.884 24.802 18.313 4 2HB MET 1 2HB MET 1 -0.134 24.707 18.200 5 1HG MET 1 1HG MET 1 -0.074 25.777 16.153 6 2HG MET 1 2HG MET 1 -1.752 25.379 15.782 7 1HE MET 1 1HE MET 1 -3.812 26.587 16.734 8 2HE MET 1 2HE MET 1 -3.764 27.844 17.971 9 3HE MET 1 3HE MET 1 -3.320 26.187 18.380 10 H VAL 2 H VAL 2 -1.899 23.794 14.854 11 HA VAL 2 HA VAL 2 -4.696 23.048 15.138 12 HB VAL 2 HB VAL 2 -3.318 23.932 12.598 13 1HG1 VAL 2 1HG1 VAL 2 -5.522 22.946 12.326 14 2HG1 VAL 2 2HG1 VAL 2 -5.559 24.671 11.960 15 3HG1 VAL 2 3HG1 VAL 2 -6.190 24.081 13.498 16 1HG2 VAL 2 1HG2 VAL 2 -4.579 25.673 14.703 17 2HG2 VAL 2 2HG2 VAL 2 -4.014 26.216 13.122 18 3HG2 VAL 2 3HG2 VAL 2 -2.864 25.590 14.305 19 H SER 3 H SER 3 -3.701 20.860 15.672 20 HA SER 3 HA SER 3 -3.119 19.398 13.208 21 1HB SER 3 1HB SER 3 -1.740 18.809 15.810 22 2HB SER 3 2HB SER 3 -1.253 18.348 14.181 23 HG SER 3 HG SER 3 -0.179 20.149 14.030 24 H THR 4 H THR 4 -3.916 17.377 13.062 25 HA THR 4 HA THR 4 -5.295 16.208 15.382 26 HB THR 4 HB THR 4 -7.014 17.205 13.967 27 HG1 THR 4 HG1 THR 4 -6.794 14.378 13.897 28 1HG2 THR 4 1HG2 THR 4 -5.875 15.537 11.726 29 2HG2 THR 4 2HG2 THR 4 -5.709 17.284 11.889 30 3HG2 THR 4 3HG2 THR 4 -7.304 16.570 11.635 31 H LEU 5 H LEU 5 -2.696 15.819 14.328 32 HA LEU 5 HA LEU 5 -2.576 13.621 12.512 33 1HB LEU 5 1HB LEU 5 -0.427 14.718 14.323 34 2HB LEU 5 2HB LEU 5 -0.191 13.761 12.873 35 HG LEU 5 HG LEU 5 -1.500 16.470 12.805 36 1HD1 LEU 5 1HD1 LEU 5 0.684 17.360 12.117 37 2HD1 LEU 5 2HD1 LEU 5 1.423 15.810 12.507 38 3HD1 LEU 5 3HD1 LEU 5 0.686 16.778 13.780 39 1HD2 LEU 5 1HD2 LEU 5 -0.144 14.781 10.704 40 2HD2 LEU 5 2HD2 LEU 5 -0.813 16.393 10.452 41 3HD2 LEU 5 3HD2 LEU 5 -1.879 15.052 10.868 42 HA PRO 6 HA PRO 6 -2.674 10.135 15.239 43 1HB PRO 6 1HB PRO 6 -0.547 8.647 14.368 44 2HB PRO 6 2HB PRO 6 -2.090 8.740 13.510 45 1HG PRO 6 1HG PRO 6 0.446 10.255 13.017 46 2HG PRO 6 2HG PRO 6 -0.623 9.462 11.845 47 1HD PRO 6 1HD PRO 6 -0.724 12.106 12.233 48 2HD PRO 6 2HD PRO 6 -2.205 11.168 11.952 49 HA PRO 7 HA PRO 7 0.139 10.799 18.566 50 1HB PRO 7 1HB PRO 7 0.090 7.959 19.253 51 2HB PRO 7 2HB PRO 7 -0.597 9.330 20.127 52 1HG PRO 7 1HG PRO 7 -2.130 7.482 18.875 53 2HG PRO 7 2HG PRO 7 -2.616 9.179 19.045 54 1HD PRO 7 1HD PRO 7 -1.456 7.768 16.675 55 2HD PRO 7 2HD PRO 7 -2.750 8.983 16.741 56 H CYS 8 H CYS 8 2.003 9.420 19.722 57 HA CYS 8 HA CYS 8 3.971 8.806 17.653 58 1HB CYS 8 1HB CYS 8 4.800 10.429 19.180 59 2HB CYS 8 2HB CYS 8 4.169 9.558 20.568 60 HA PRO 9 HA PRO 9 3.150 4.513 18.609 61 1HB PRO 9 1HB PRO 9 5.124 3.430 17.091 62 2HB PRO 9 2HB PRO 9 3.624 4.062 16.401 63 1HG PRO 9 1HG PRO 9 6.314 5.368 16.599 64 2HG PRO 9 2HG PRO 9 5.192 5.324 15.227 65 1HD PRO 9 1HD PRO 9 5.390 7.471 16.848 66 2HD PRO 9 2HD PRO 9 3.851 6.988 16.104 67 H GLN 10 H GLN 10 5.408 6.388 19.847 68 HA GLN 10 HA GLN 10 6.904 4.217 21.125 69 1HB GLN 10 1HB GLN 10 7.816 7.034 20.535 70 2HB GLN 10 2HB GLN 10 8.769 5.793 21.344 71 1HG GLN 10 1HG GLN 10 9.012 4.539 19.412 72 2HG GLN 10 2HG GLN 10 7.636 5.316 18.630 73 1HE2 GLN 10 1HE2 GLN 10 9.884 7.263 20.334 74 2HE2 GLN 10 2HE2 GLN 10 10.669 7.941 18.954 75 H CYS 11 H CYS 11 5.285 7.412 21.610 76 HA CYS 11 HA CYS 11 5.467 6.956 24.492 77 1HB CYS 11 1HB CYS 11 4.738 9.488 22.990 78 2HB CYS 11 2HB CYS 11 4.997 9.335 24.720 79 H ASN 12 H ASN 12 3.378 7.900 21.814 80 HA ASN 12 HA ASN 12 1.161 7.818 21.422 81 1HB ASN 12 1HB ASN 12 1.380 5.539 22.515 82 2HB ASN 12 2HB ASN 12 0.798 6.294 23.998 83 1HD2 ASN 12 1HD2 ASN 12 -1.077 5.072 24.051 84 2HD2 ASN 12 2HD2 ASN 12 -2.385 5.330 22.943 85 H SER 13 H SER 13 2.605 9.480 23.713 86 HA SER 13 HA SER 13 0.638 10.589 25.339 87 1HB SER 13 1HB SER 13 3.108 11.923 24.222 88 2HB SER 13 2HB SER 13 2.209 12.427 25.648 89 HG SER 13 HG SER 13 4.187 11.020 25.888 90 H GLU 14 H GLU 14 1.455 11.256 22.021 91 HA GLU 14 HA GLU 14 0.200 12.141 20.368 92 1HB GLU 14 1HB GLU 14 -1.722 12.097 22.542 93 2HB GLU 14 2HB GLU 14 -1.976 13.453 21.446 94 1HG GLU 14 1HG GLU 14 -1.938 11.896 19.561 95 2HG GLU 14 2HG GLU 14 -1.794 10.556 20.694 96 H TYR 15 H TYR 15 1.927 13.727 22.490 97 HA TYR 15 HA TYR 15 1.264 16.388 21.673 98 1HB TYR 15 1HB TYR 15 3.801 15.323 22.948 99 2HB TYR 15 2HB TYR 15 3.406 17.025 22.741 100 HD1 TYR 15 HD1 TYR 15 2.748 13.999 24.661 101 HD2 TYR 15 HD2 TYR 15 1.688 18.083 24.136 102 HE1 TYR 15 HE1 TYR 15 1.633 13.982 26.847 103 HE2 TYR 15 HE2 TYR 15 0.565 18.076 26.328 104 HH TYR 15 HH TYR 15 0.931 15.476 28.563 105 H THR 16 H THR 16 1.277 14.966 19.492 106 HA THR 16 HA THR 16 3.886 15.152 18.177 107 HB THR 16 HB THR 16 1.388 13.910 17.037 108 HG1 THR 16 HG1 THR 16 2.088 11.946 17.951 109 1HG2 THR 16 1HG2 THR 16 3.003 12.538 15.806 110 2HG2 THR 16 2HG2 THR 16 4.325 13.384 16.609 111 3HG2 THR 16 3HG2 THR 16 3.260 14.257 15.507 112 H TYR 17 H TYR 17 4.096 16.303 16.212 113 HA TYR 17 HA TYR 17 1.857 17.844 15.238 114 1HB TYR 17 1HB TYR 17 2.881 20.005 15.445 115 2HB TYR 17 2HB TYR 17 2.863 19.265 17.042 116 HD1 TYR 17 HD1 TYR 17 5.016 18.462 18.056 117 HD2 TYR 17 HD2 TYR 17 4.910 20.549 14.343 118 HE1 TYR 17 HE1 TYR 17 7.413 18.939 18.254 119 HE2 TYR 17 HE2 TYR 17 7.310 21.020 14.537 120 HH TYR 17 HH TYR 17 9.023 21.168 16.185 121 H GLU 18 H GLU 18 2.705 19.262 13.301 122 HA GLU 18 HA GLU 18 4.395 17.472 11.722 123 1HB GLU 18 1HB GLU 18 3.459 18.736 9.773 124 2HB GLU 18 2HB GLU 18 2.259 17.867 10.714 125 1HG GLU 18 1HG GLU 18 2.785 20.759 11.255 126 2HG GLU 18 2HG GLU 18 1.769 20.279 9.897 127 H ASP 19 H ASP 19 6.508 18.029 11.582 128 HA ASP 19 HA ASP 19 7.257 20.838 11.770 129 1HB ASP 19 1HB ASP 19 8.411 19.128 13.170 130 2HB ASP 19 2HB ASP 19 8.965 18.333 11.704 131 H GLY 20 H GLY 20 5.895 19.683 9.454 132 1HA GLY 20 1HA GLY 20 6.507 20.921 7.325 133 2HA GLY 20 2HA GLY 20 7.998 19.996 7.413 134 H ALA 21 H ALA 21 8.028 17.877 6.761 135 HA ALA 21 HA ALA 21 5.631 17.079 5.239 136 1HB ALA 21 1HB ALA 21 7.620 17.561 3.902 137 2HB ALA 21 2HB ALA 21 7.146 15.867 3.775 138 3HB ALA 21 3HB ALA 21 8.513 16.326 4.790 139 H LEU 22 H LEU 22 6.475 16.469 8.112 140 HA LEU 22 HA LEU 22 5.637 13.744 8.091 141 1HB LEU 22 1HB LEU 22 7.515 12.676 8.959 142 2HB LEU 22 2HB LEU 22 8.168 13.690 7.690 143 HG LEU 22 HG LEU 22 8.217 14.396 10.626 144 1HD1 LEU 22 1HD1 LEU 22 9.564 12.445 10.223 145 2HD1 LEU 22 2HD1 LEU 22 10.605 13.847 10.482 146 3HD1 LEU 22 3HD1 LEU 22 10.342 13.233 8.850 147 1HD2 LEU 22 1HD2 LEU 22 9.847 16.087 9.949 148 2HD2 LEU 22 2HD2 LEU 22 8.291 16.350 9.163 149 3HD2 LEU 22 3HD2 LEU 22 9.625 15.633 8.259 150 H LEU 23 H LEU 23 6.009 12.930 10.548 151 HA LEU 23 HA LEU 23 5.020 15.115 12.253 152 1HB LEU 23 1HB LEU 23 4.745 12.250 13.028 153 2HB LEU 23 2HB LEU 23 3.699 13.608 13.389 154 HG LEU 23 HG LEU 23 3.877 12.225 10.711 155 1HD1 LEU 23 1HD1 LEU 23 2.893 10.797 12.414 156 2HD1 LEU 23 2HD1 LEU 23 1.669 11.345 11.269 157 3HD1 LEU 23 3HD1 LEU 23 1.776 12.085 12.866 158 1HD2 LEU 23 1HD2 LEU 23 1.969 13.543 10.086 159 2HD2 LEU 23 2HD2 LEU 23 3.254 14.628 10.620 160 3HD2 LEU 23 3HD2 LEU 23 1.898 14.271 11.688 161 H VAL 24 H VAL 24 6.169 15.594 14.096 162 HA VAL 24 HA VAL 24 8.304 13.721 14.825 163 HB VAL 24 HB VAL 24 9.937 15.297 15.043 164 1HG1 VAL 24 1HG1 VAL 24 9.314 15.227 12.695 165 2HG1 VAL 24 2HG1 VAL 24 9.955 16.806 13.145 166 3HG1 VAL 24 3HG1 VAL 24 8.217 16.587 12.938 167 1HG2 VAL 24 1HG2 VAL 24 9.601 17.701 15.387 168 2HG2 VAL 24 2HG2 VAL 24 8.827 16.724 16.636 169 3HG2 VAL 24 3HG2 VAL 24 7.855 17.449 15.353 170 H CYS 25 H CYS 25 8.574 13.353 16.956 171 HA CYS 25 HA CYS 25 6.545 14.470 18.743 172 1HB CYS 25 1HB CYS 25 6.600 12.035 18.504 173 2HB CYS 25 2HB CYS 25 8.300 12.016 18.943 174 HA PRO 26 HA PRO 26 10.056 16.911 20.205 175 1HB PRO 26 1HB PRO 26 8.561 18.421 21.925 176 2HB PRO 26 2HB PRO 26 8.720 18.769 20.200 177 1HG PRO 26 1HG PRO 26 6.511 17.379 21.658 178 2HG PRO 26 2HG PRO 26 6.416 18.563 20.341 179 1HD PRO 26 1HD PRO 26 6.105 15.914 19.925 180 2HD PRO 26 2HD PRO 26 6.858 16.979 18.719 181 H GLU 27 H GLU 27 7.906 14.821 21.801 182 HA GLU 27 HA GLU 27 8.880 15.173 24.452 183 1HB GLU 27 1HB GLU 27 6.595 14.323 23.850 184 2HB GLU 27 2HB GLU 27 7.351 12.814 23.354 185 1HG GLU 27 1HG GLU 27 8.067 12.347 25.564 186 2HG GLU 27 2HG GLU 27 7.632 13.965 26.113 187 H CYS 28 H CYS 28 9.235 12.359 22.166 188 HA CYS 28 HA CYS 28 11.553 11.600 23.757 189 1HB CYS 28 1HB CYS 28 11.434 9.450 22.592 190 2HB CYS 28 2HB CYS 28 9.895 9.863 23.338 191 H ALA 29 H ALA 29 11.330 13.724 21.302 192 HA ALA 29 HA ALA 29 12.763 14.501 19.785 193 1HB ALA 29 1HB ALA 29 14.769 12.767 21.211 194 2HB ALA 29 2HB ALA 29 14.291 14.394 21.694 195 3HB ALA 29 3HB ALA 29 15.127 14.138 20.162 196 H HIS 30 H HIS 30 11.239 12.307 18.882 197 HA HIS 30 HA HIS 30 13.062 11.357 16.798 198 1HB HIS 30 1HB HIS 30 12.774 9.575 18.575 199 2HB HIS 30 2HB HIS 30 11.074 9.506 18.122 200 HD1 HIS 30 HD1 HIS 30 14.464 8.433 17.045 201 HD2 HIS 30 HD2 HIS 30 10.571 8.352 15.573 202 HE1 HIS 30 HE1 HIS 30 14.505 6.845 15.095 203 HE2 HIS 30 HE2 HIS 30 12.144 6.810 14.213 204 H GLU 31 H GLU 31 12.258 11.704 14.848 205 HA GLU 31 HA GLU 31 9.397 12.266 14.583 206 1HB GLU 31 1HB GLU 31 10.262 13.037 12.222 207 2HB GLU 31 2HB GLU 31 10.433 14.070 13.631 208 1HG GLU 31 1HG GLU 31 12.449 14.097 12.311 209 2HG GLU 31 2HG GLU 31 12.754 13.355 13.878 210 H TRP 32 H TRP 32 8.373 11.531 12.479 211 HA TRP 32 HA TRP 32 9.462 9.201 11.226 212 1HB TRP 32 1HB TRP 32 8.162 7.497 12.142 213 2HB TRP 32 2HB TRP 32 8.586 8.455 13.555 214 HD1 TRP 32 HD1 TRP 32 6.407 10.665 13.551 215 HE1 TRP 32 HE1 TRP 32 3.918 10.095 13.913 216 HE3 TRP 32 HE3 TRP 32 6.513 5.730 12.242 217 HZ2 TRP 32 HZ2 TRP 32 2.233 7.845 13.683 218 HZ3 TRP 32 HZ3 TRP 32 4.422 4.438 12.341 219 HH2 TRP 32 HH2 TRP 32 2.327 5.474 13.046 220 H SER 33 H SER 33 8.019 8.310 9.620 221 HA SER 33 HA SER 33 5.894 10.163 8.806 222 1HB SER 33 1HB SER 33 7.611 9.766 7.087 223 2HB SER 33 2HB SER 33 7.331 8.028 7.198 224 HG SER 33 HG SER 33 6.048 9.819 5.700 225 HA PRO 34 HA PRO 34 3.146 7.346 10.724 226 1HB PRO 34 1HB PRO 34 0.864 8.025 9.313 227 2HB PRO 34 2HB PRO 34 1.485 8.893 10.719 228 1HG PRO 34 1HG PRO 34 1.810 9.509 7.813 229 2HG PRO 34 2HG PRO 34 1.530 10.615 9.171 230 1HD PRO 34 1HD PRO 34 3.962 10.334 8.088 231 2HD PRO 34 2HD PRO 34 3.753 10.556 9.837 232 H ASN 35 H ASN 35 3.147 7.521 7.198 233 HA ASN 35 HA ASN 35 2.074 4.790 7.111 234 1HB ASN 35 1HB ASN 35 2.213 6.904 4.952 235 2HB ASN 35 2HB ASN 35 1.650 5.260 4.685 236 1HD2 ASN 35 1HD2 ASN 35 -0.398 5.795 4.111 237 2HD2 ASN 35 2HD2 ASN 35 -1.555 6.490 5.210 238 H GLU 36 H GLU 36 4.690 6.807 5.869 239 HA GLU 36 HA GLU 36 5.814 4.854 4.179 240 1HB GLU 36 1HB GLU 36 6.217 7.294 4.006 241 2HB GLU 36 2HB GLU 36 7.180 7.217 5.472 242 1HG GLU 36 1HG GLU 36 8.794 5.792 4.379 243 2HG GLU 36 2HG GLU 36 7.804 5.751 2.920 244 H ALA 37 H ALA 37 6.162 5.474 7.596 245 HA ALA 37 HA ALA 37 8.525 3.986 8.038 246 1HB ALA 37 1HB ALA 37 6.213 4.492 9.908 247 2HB ALA 37 2HB ALA 37 7.635 5.518 9.712 248 3HB ALA 37 3HB ALA 37 7.806 3.894 10.378 249 H ALA 38 H ALA 38 5.122 3.110 7.905 250 HA ALA 38 HA ALA 38 5.516 0.398 8.719 251 1HB ALA 38 1HB ALA 38 3.186 0.082 8.053 252 2HB ALA 38 2HB ALA 38 3.182 1.674 7.295 253 3HB ALA 38 3HB ALA 38 3.373 1.530 9.042 254 H THR 39 H THR 39 4.751 1.939 5.597 255 HA THR 39 HA THR 39 6.458 0.032 4.239 256 HB THR 39 HB THR 39 3.631 0.330 3.257 257 HG1 THR 39 HG1 THR 39 4.596 -1.258 5.309 258 1HG2 THR 39 1HG2 THR 39 5.290 -0.391 1.624 259 2HG2 THR 39 2HG2 THR 39 4.166 -1.700 1.990 260 3HG2 THR 39 3HG2 THR 39 5.784 -1.704 2.692 261 H ALA 40 H ALA 40 7.186 0.799 2.283 262 HA ALA 40 HA ALA 40 6.062 3.312 1.268 263 1HB ALA 40 1HB ALA 40 9.012 2.760 1.584 264 2HB ALA 40 2HB ALA 40 8.067 3.890 2.552 265 3HB ALA 40 3HB ALA 40 8.305 4.189 0.830 266 H SER 41 H SER 41 6.416 0.261 0.721 267 HA SER 41 HA SER 41 7.371 0.421 -2.039 268 1HB SER 41 1HB SER 41 8.386 -1.318 -0.608 269 2HB SER 41 2HB SER 41 6.787 -1.998 -0.308 270 HG SER 41 HG SER 41 6.757 -2.099 -2.767 271 H ASP 42 H ASP 42 4.633 0.883 -0.471 272 HA ASP 42 HA ASP 42 2.913 -0.565 -2.365 273 1HB ASP 42 1HB ASP 42 1.129 -0.350 -0.794 274 2HB ASP 42 2HB ASP 42 2.537 -0.845 0.139 275 H ASP 43 H ASP 43 0.966 0.661 -3.099 276 HA ASP 43 HA ASP 43 1.595 3.526 -3.440 277 1HB ASP 43 1HB ASP 43 1.529 2.059 -5.522 278 2HB ASP 43 2HB ASP 43 -0.197 1.875 -5.226 279 H GLY 44 H GLY 44 -1.034 1.178 -3.145 280 1HA GLY 44 1HA GLY 44 -2.720 1.332 -1.493 281 2HA GLY 44 2HA GLY 44 -2.405 3.055 -1.363 282 H LYS 45 H LYS 45 -2.574 3.795 -4.043 283 HA LYS 45 HA LYS 45 -5.474 3.539 -4.361 284 1HB LYS 45 1HB LYS 45 -5.308 5.620 -5.682 285 2HB LYS 45 2HB LYS 45 -4.670 5.801 -4.053 286 1HG LYS 45 1HG LYS 45 -2.386 5.343 -5.090 287 2HG LYS 45 2HG LYS 45 -3.175 5.633 -6.640 288 1HD LYS 45 1HD LYS 45 -3.814 7.860 -5.930 289 2HD LYS 45 2HD LYS 45 -3.128 7.569 -4.329 290 1HE LYS 45 1HE LYS 45 -1.634 7.680 -6.947 291 2HE LYS 45 2HE LYS 45 -1.572 8.865 -5.644 292 1HZ LYS 45 1HZ LYS 45 0.350 7.358 -5.662 293 2HZ LYS 45 2HZ LYS 45 -0.682 6.036 -5.403 294 3HZ LYS 45 3HZ LYS 45 -0.535 7.244 -4.218 295 H VAL 46 H VAL 46 -2.457 2.951 -6.019 296 HA VAL 46 HA VAL 46 -3.990 1.808 -8.269 297 HB VAL 46 HB VAL 46 -1.144 2.784 -8.498 298 1HG1 VAL 46 1HG1 VAL 46 -1.888 1.204 -10.182 299 2HG1 VAL 46 2HG1 VAL 46 -1.648 2.802 -10.889 300 3HG1 VAL 46 3HG1 VAL 46 -3.279 2.225 -10.548 301 1HG2 VAL 46 1HG2 VAL 46 -2.003 4.824 -9.554 302 2HG2 VAL 46 2HG2 VAL 46 -2.495 4.708 -7.865 303 3HG2 VAL 46 3HG2 VAL 46 -3.649 4.339 -9.147 304 H ILE 47 H ILE 47 -3.054 -0.136 -9.227 305 HA ILE 47 HA ILE 47 -1.858 -1.789 -7.137 306 HB ILE 47 HB ILE 47 -2.684 -2.904 -9.792 307 1HG1 ILE 47 1HG1 ILE 47 -4.511 -1.361 -9.152 308 2HG1 ILE 47 2HG1 ILE 47 -5.017 -3.045 -9.096 309 1HG2 ILE 47 1HG2 ILE 47 -2.682 -3.870 -6.939 310 2HG2 ILE 47 2HG2 ILE 47 -1.789 -4.519 -8.315 311 3HG2 ILE 47 3HG2 ILE 47 -3.544 -4.740 -8.210 312 1HD1 ILE 47 1HD1 ILE 47 -4.767 -3.042 -6.673 313 2HD1 ILE 47 2HD1 ILE 47 -5.890 -1.793 -7.212 314 3HD1 ILE 47 3HD1 ILE 47 -4.251 -1.357 -6.728 315 H LYS 48 H LYS 48 0.149 -2.688 -7.310 316 HA LYS 48 HA LYS 48 1.782 -1.850 -9.599 317 1HB LYS 48 1HB LYS 48 1.961 -0.843 -7.112 318 2HB LYS 48 2HB LYS 48 3.028 -2.228 -6.932 319 1HG LYS 48 1HG LYS 48 4.563 -1.416 -8.432 320 2HG LYS 48 2HG LYS 48 3.367 -0.413 -9.255 321 1HD LYS 48 1HD LYS 48 4.417 0.085 -6.474 322 2HD LYS 48 2HD LYS 48 4.963 0.921 -7.930 323 1HE LYS 48 1HE LYS 48 2.589 1.656 -8.293 324 2HE LYS 48 2HE LYS 48 2.198 0.972 -6.718 325 1HZ LYS 48 1HZ LYS 48 4.231 3.100 -7.174 326 2HZ LYS 48 2HZ LYS 48 3.718 2.500 -5.676 327 3HZ LYS 48 3HZ LYS 48 2.640 3.382 -6.644 328 H ASP 49 H ASP 49 3.650 -3.211 -10.068 329 HA ASP 49 HA ASP 49 2.935 -6.024 -9.759 330 1HB ASP 49 1HB ASP 49 5.120 -4.819 -11.466 331 2HB ASP 49 2HB ASP 49 4.483 -6.451 -11.570 332 H SER 50 H SER 50 4.873 -7.536 -9.762 333 HA SER 50 HA SER 50 6.554 -6.988 -7.484 334 1HB SER 50 1HB SER 50 5.636 -9.266 -8.077 335 2HB SER 50 2HB SER 50 6.767 -9.304 -9.428 336 HG SER 50 HG SER 50 7.367 -10.292 -7.281 337 H VAL 51 H VAL 51 6.640 -6.187 -10.616 338 HA VAL 51 HA VAL 51 9.547 -6.219 -10.999 339 HB VAL 51 HB VAL 51 7.594 -4.916 -12.857 340 1HG1 VAL 51 1HG1 VAL 51 9.222 -5.689 -14.555 341 2HG1 VAL 51 2HG1 VAL 51 10.241 -6.282 -13.242 342 3HG1 VAL 51 3HG1 VAL 51 9.891 -4.558 -13.375 343 1HG2 VAL 51 1HG2 VAL 51 7.300 -7.053 -14.003 344 2HG2 VAL 51 2HG2 VAL 51 6.656 -7.083 -12.361 345 3HG2 VAL 51 3HG2 VAL 51 8.202 -7.856 -12.716 346 H GLY 52 H GLY 52 7.118 -4.294 -9.800 347 1HA GLY 52 1HA GLY 52 7.483 -2.297 -8.589 348 2HA GLY 52 2HA GLY 52 8.927 -2.010 -9.549 349 H ASN 53 H ASN 53 6.593 -2.911 -11.702 350 HA ASN 53 HA ASN 53 6.198 -0.151 -12.477 351 1HB ASN 53 1HB ASN 53 4.557 -1.905 -14.048 352 2HB ASN 53 2HB ASN 53 5.952 -0.939 -14.543 353 1HD2 ASN 53 1HD2 ASN 53 4.838 -3.962 -13.385 354 2HD2 ASN 53 2HD2 ASN 53 6.224 -4.873 -13.872 355 H VAL 54 H VAL 54 4.156 0.546 -13.141 356 HA VAL 54 HA VAL 54 2.008 -0.241 -11.265 357 HB VAL 54 HB VAL 54 2.253 2.552 -12.357 358 1HG1 VAL 54 1HG1 VAL 54 0.961 1.365 -9.907 359 2HG1 VAL 54 2HG1 VAL 54 0.148 1.961 -11.356 360 3HG1 VAL 54 3HG1 VAL 54 0.999 3.087 -10.299 361 1HG2 VAL 54 1HG2 VAL 54 3.581 1.484 -9.869 362 2HG2 VAL 54 2HG2 VAL 54 3.400 3.196 -10.259 363 3HG2 VAL 54 3HG2 VAL 54 4.380 2.154 -11.292 364 H LEU 55 H LEU 55 -0.037 -0.639 -12.203 365 HA LEU 55 HA LEU 55 0.120 -0.752 -15.100 366 1HB LEU 55 1HB LEU 55 -1.885 -2.014 -13.226 367 2HB LEU 55 2HB LEU 55 -1.741 -2.318 -14.945 368 HG LEU 55 HG LEU 55 -0.744 -4.181 -13.997 369 1HD1 LEU 55 1HD1 LEU 55 0.686 -3.254 -15.675 370 2HD1 LEU 55 2HD1 LEU 55 1.632 -4.038 -14.407 371 3HD1 LEU 55 3HD1 LEU 55 1.508 -2.278 -14.457 372 1HD2 LEU 55 1HD2 LEU 55 0.632 -2.401 -12.012 373 2HD2 LEU 55 2HD2 LEU 55 0.805 -4.154 -12.120 374 3HD2 LEU 55 3HD2 LEU 55 -0.753 -3.446 -11.691 375 H GLN 56 H GLN 56 -2.091 -0.547 -16.154 376 HA GLN 56 HA GLN 56 -3.562 1.749 -15.047 377 1HB GLN 56 1HB GLN 56 -2.057 2.354 -16.978 378 2HB GLN 56 2HB GLN 56 -2.991 1.248 -17.978 379 1HG GLN 56 1HG GLN 56 -5.019 2.648 -17.256 380 2HG GLN 56 2HG GLN 56 -3.825 3.847 -16.761 381 1HE2 GLN 56 1HE2 GLN 56 -5.318 2.213 -19.401 382 2HE2 GLN 56 2HE2 GLN 56 -4.677 3.209 -20.661 383 H ASP 57 H ASP 57 -5.857 1.725 -15.507 384 HA ASP 57 HA ASP 57 -6.998 -0.853 -15.707 385 1HB ASP 57 1HB ASP 57 -8.023 1.093 -14.520 386 2HB ASP 57 2HB ASP 57 -8.329 1.840 -16.083 387 H GLY 58 H GLY 58 -6.569 -1.907 -17.550 388 1HA GLY 58 1HA GLY 58 -7.711 -2.272 -19.742 389 2HA GLY 58 2HA GLY 58 -7.327 -0.590 -20.084 390 H ASP 59 H ASP 59 -4.778 -1.464 -18.405 391 HA ASP 59 HA ASP 59 -3.037 -1.658 -20.635 392 1HB ASP 59 1HB ASP 59 -2.508 -0.709 -18.332 393 2HB ASP 59 2HB ASP 59 -2.377 -2.371 -17.776 394 H THR 60 H THR 60 -1.361 -3.442 -20.782 395 HA THR 60 HA THR 60 -2.679 -6.057 -20.531 396 HB THR 60 HB THR 60 -0.337 -5.320 -22.306 397 HG1 THR 60 HG1 THR 60 -1.894 -4.281 -23.372 398 1HG2 THR 60 1HG2 THR 60 -0.878 -7.399 -23.473 399 2HG2 THR 60 2HG2 THR 60 -2.206 -7.696 -22.350 400 3HG2 THR 60 3HG2 THR 60 -0.539 -7.710 -21.769 401 H ILE 61 H ILE 61 -1.681 -7.620 -19.280 402 HA ILE 61 HA ILE 61 0.890 -6.863 -18.075 403 HB ILE 61 HB ILE 61 0.206 -7.516 -15.882 404 1HG1 ILE 61 1HG1 ILE 61 -2.485 -7.893 -15.753 405 2HG1 ILE 61 2HG1 ILE 61 -2.134 -8.703 -17.286 406 1HG2 ILE 61 1HG2 ILE 61 -1.888 -5.713 -17.071 407 2HG2 ILE 61 2HG2 ILE 61 -0.294 -5.228 -16.493 408 3HG2 ILE 61 3HG2 ILE 61 -1.491 -5.850 -15.357 409 1HD1 ILE 61 1HD1 ILE 61 -0.992 -9.320 -14.568 410 2HD1 ILE 61 2HD1 ILE 61 -0.375 -10.004 -16.072 411 3HD1 ILE 61 3HD1 ILE 61 -2.042 -10.323 -15.577 412 H THR 62 H THR 62 1.881 -8.777 -16.904 413 HA THR 62 HA THR 62 1.061 -11.381 -17.913 414 HB THR 62 HB THR 62 3.562 -9.950 -18.707 415 HG1 THR 62 HG1 THR 62 1.383 -10.533 -19.928 416 1HG2 THR 62 1HG2 THR 62 3.243 -12.953 -18.682 417 2HG2 THR 62 2HG2 THR 62 4.362 -12.023 -17.685 418 3HG2 THR 62 3HG2 THR 62 4.565 -12.064 -19.437 419 H VAL 63 H VAL 63 1.152 -12.737 -16.254 420 HA VAL 63 HA VAL 63 2.395 -12.266 -13.784 421 HB VAL 63 HB VAL 63 0.493 -13.969 -14.537 422 1HG1 VAL 63 1HG1 VAL 63 1.825 -15.372 -15.926 423 2HG1 VAL 63 2HG1 VAL 63 1.306 -16.285 -14.507 424 3HG1 VAL 63 3HG1 VAL 63 2.957 -15.665 -14.607 425 1HG2 VAL 63 1HG2 VAL 63 1.041 -13.477 -12.232 426 2HG2 VAL 63 2HG2 VAL 63 2.435 -14.562 -12.316 427 3HG2 VAL 63 3HG2 VAL 63 0.802 -15.213 -12.452 428 H ILE 64 H ILE 64 4.501 -12.531 -13.161 429 HA ILE 64 HA ILE 64 6.314 -13.768 -15.030 430 HB ILE 64 HB ILE 64 8.131 -12.959 -13.658 431 1HG1 ILE 64 1HG1 ILE 64 6.653 -13.154 -11.477 432 2HG1 ILE 64 2HG1 ILE 64 7.949 -11.971 -11.578 433 1HG2 ILE 64 1HG2 ILE 64 6.011 -10.913 -14.182 434 2HG2 ILE 64 2HG2 ILE 64 7.200 -11.526 -15.333 435 3HG2 ILE 64 3HG2 ILE 64 7.725 -10.573 -13.943 436 1HD1 ILE 64 1HD1 ILE 64 6.244 -10.284 -12.223 437 2HD1 ILE 64 2HD1 ILE 64 6.068 -10.935 -10.595 438 3HD1 ILE 64 3HD1 ILE 64 5.006 -11.492 -11.885 439 H LYS 65 H LYS 65 4.499 -15.475 -12.948 440 HA LYS 65 HA LYS 65 6.748 -17.110 -12.223 441 1HB LYS 65 1HB LYS 65 4.761 -15.994 -10.259 442 2HB LYS 65 2HB LYS 65 5.608 -17.505 -9.967 443 1HG LYS 65 1HG LYS 65 6.769 -14.763 -10.225 444 2HG LYS 65 2HG LYS 65 6.768 -15.830 -8.826 445 1HD LYS 65 1HD LYS 65 8.168 -17.427 -10.141 446 2HD LYS 65 2HD LYS 65 8.284 -16.188 -11.398 447 1HE LYS 65 1HE LYS 65 9.399 -14.686 -9.909 448 2HE LYS 65 2HE LYS 65 9.116 -15.752 -8.534 449 1HZ LYS 65 1HZ LYS 65 11.371 -15.975 -9.290 450 2HZ LYS 65 2HZ LYS 65 10.866 -16.319 -10.868 451 3HZ LYS 65 3HZ LYS 65 10.537 -17.414 -9.616 452 H ASP 66 H ASP 66 6.036 -19.186 -11.534 453 HA ASP 66 HA ASP 66 3.657 -20.036 -12.942 454 1HB ASP 66 1HB ASP 66 4.354 -22.332 -12.493 455 2HB ASP 66 2HB ASP 66 5.688 -21.387 -13.140 456 H LEU 67 H LEU 67 1.795 -19.765 -12.082 457 HA LEU 67 HA LEU 67 1.262 -20.830 -9.383 458 1HB LEU 67 1HB LEU 67 -0.232 -18.599 -10.790 459 2HB LEU 67 2HB LEU 67 -0.636 -19.267 -9.225 460 HG LEU 67 HG LEU 67 1.714 -18.416 -8.513 461 1HD1 LEU 67 1HD1 LEU 67 2.538 -17.868 -10.732 462 2HD1 LEU 67 2HD1 LEU 67 2.450 -16.423 -9.724 463 3HD1 LEU 67 3HD1 LEU 67 1.218 -16.718 -10.952 464 1HD2 LEU 67 1HD2 LEU 67 -0.399 -17.531 -7.673 465 2HD2 LEU 67 2HD2 LEU 67 -0.547 -16.502 -9.099 466 3HD2 LEU 67 3HD2 LEU 67 0.762 -16.232 -7.948 467 H LYS 68 H LYS 68 -0.383 -22.352 -9.324 468 HA LYS 68 HA LYS 68 -1.618 -22.999 -11.890 469 1HB LYS 68 1HB LYS 68 -2.312 -25.093 -10.891 470 2HB LYS 68 2HB LYS 68 -0.590 -24.841 -10.666 471 1HG LYS 68 1HG LYS 68 -0.875 -24.310 -8.371 472 2HG LYS 68 2HG LYS 68 -2.631 -24.237 -8.546 473 1HD LYS 68 1HD LYS 68 -1.844 -26.342 -7.504 474 2HD LYS 68 2HD LYS 68 -2.732 -26.594 -9.009 475 1HE LYS 68 1HE LYS 68 -0.576 -26.774 -10.207 476 2HE LYS 68 2HE LYS 68 0.265 -26.625 -8.665 477 1HZ LYS 68 1HZ LYS 68 -0.058 -28.942 -9.520 478 2HZ LYS 68 2HZ LYS 68 -1.718 -28.762 -9.215 479 3HZ LYS 68 3HZ LYS 68 -0.603 -28.674 -7.937 480 H VAL 69 H VAL 69 -4.065 -24.037 -11.366 481 HA VAL 69 HA VAL 69 -5.482 -21.953 -9.901 482 HB VAL 69 HB VAL 69 -6.365 -22.916 -12.645 483 1HG1 VAL 69 1HG1 VAL 69 -7.457 -20.778 -10.820 484 2HG1 VAL 69 2HG1 VAL 69 -8.198 -22.343 -11.155 485 3HG1 VAL 69 3HG1 VAL 69 -8.048 -21.146 -12.441 486 1HG2 VAL 69 1HG2 VAL 69 -5.180 -20.249 -11.873 487 2HG2 VAL 69 2HG2 VAL 69 -5.864 -20.655 -13.447 488 3HG2 VAL 69 3HG2 VAL 69 -4.409 -21.475 -12.879 489 H LYS 70 H LYS 70 -6.894 -22.960 -8.536 490 HA LYS 70 HA LYS 70 -6.740 -25.854 -8.642 491 1HB LYS 70 1HB LYS 70 -7.666 -25.816 -6.361 492 2HB LYS 70 2HB LYS 70 -6.188 -24.894 -6.538 493 1HG LYS 70 1HG LYS 70 -7.458 -23.542 -5.180 494 2HG LYS 70 2HG LYS 70 -7.778 -22.862 -6.774 495 1HD LYS 70 1HD LYS 70 -9.835 -23.061 -5.478 496 2HD LYS 70 2HD LYS 70 -9.877 -24.116 -6.890 497 1HE LYS 70 1HE LYS 70 -10.763 -25.314 -5.009 498 2HE LYS 70 2HE LYS 70 -9.199 -26.008 -5.432 499 1HZ LYS 70 1HZ LYS 70 -9.569 -25.683 -3.012 500 2HZ LYS 70 2HZ LYS 70 -9.585 -24.009 -3.270 501 3HZ LYS 70 3HZ LYS 70 -8.185 -24.904 -3.601 502 H GLY 71 H GLY 71 -9.233 -23.407 -8.949 503 1HA GLY 71 1HA GLY 71 -11.328 -25.425 -8.878 504 2HA GLY 71 2HA GLY 71 -11.550 -23.701 -9.146 505 H SER 72 H SER 72 -9.434 -23.745 -11.201 506 HA SER 72 HA SER 72 -11.156 -24.734 -13.378 507 1HB SER 72 1HB SER 72 -9.206 -22.437 -13.248 508 2HB SER 72 2HB SER 72 -9.951 -22.982 -14.748 509 HG SER 72 HG SER 72 -11.437 -22.229 -12.439 510 H SER 73 H SER 73 -10.133 -25.418 -15.381 511 HA SER 73 HA SER 73 -7.779 -27.042 -14.993 512 1HB SER 73 1HB SER 73 -9.276 -26.427 -17.554 513 2HB SER 73 2HB SER 73 -8.157 -27.764 -17.280 514 HG SER 73 HG SER 73 -10.270 -28.503 -17.073 515 H LEU 74 H LEU 74 -8.066 -23.917 -15.197 516 HA LEU 74 HA LEU 74 -6.192 -23.189 -17.221 517 1HB LEU 74 1HB LEU 74 -7.538 -21.742 -14.971 518 2HB LEU 74 2HB LEU 74 -6.221 -20.990 -15.841 519 HG LEU 74 HG LEU 74 -8.348 -20.230 -16.720 520 1HD1 LEU 74 1HD1 LEU 74 -6.930 -22.086 -18.622 521 2HD1 LEU 74 2HD1 LEU 74 -6.518 -20.403 -18.292 522 3HD1 LEU 74 3HD1 LEU 74 -8.044 -20.799 -19.084 523 1HD2 LEU 74 1HD2 LEU 74 -8.908 -23.130 -17.330 524 2HD2 LEU 74 2HD2 LEU 74 -9.899 -21.759 -17.830 525 3HD2 LEU 74 3HD2 LEU 74 -9.728 -22.146 -16.119 526 H VAL 75 H VAL 75 -4.321 -21.557 -16.152 527 HA VAL 75 HA VAL 75 -2.719 -22.877 -14.322 528 HB VAL 75 HB VAL 75 -2.037 -23.412 -17.223 529 1HG1 VAL 75 1HG1 VAL 75 -0.435 -23.968 -14.730 530 2HG1 VAL 75 2HG1 VAL 75 -0.064 -22.755 -15.957 531 3HG1 VAL 75 3HG1 VAL 75 -0.001 -24.469 -16.365 532 1HG2 VAL 75 1HG2 VAL 75 -3.617 -25.039 -16.351 533 2HG2 VAL 75 2HG2 VAL 75 -2.580 -25.321 -14.949 534 3HG2 VAL 75 3HG2 VAL 75 -2.031 -25.783 -16.563 535 H VAL 76 H VAL 76 -1.686 -21.113 -13.601 536 HA VAL 76 HA VAL 76 -1.402 -18.840 -15.403 537 HB VAL 76 HB VAL 76 -1.053 -19.032 -12.404 538 1HG1 VAL 76 1HG1 VAL 76 0.416 -17.333 -13.294 539 2HG1 VAL 76 2HG1 VAL 76 -0.934 -16.590 -12.435 540 3HG1 VAL 76 3HG1 VAL 76 -0.919 -16.623 -14.201 541 1HG2 VAL 76 1HG2 VAL 76 -3.107 -17.709 -12.318 542 2HG2 VAL 76 2HG2 VAL 76 -3.365 -19.249 -13.139 543 3HG2 VAL 76 3HG2 VAL 76 -3.216 -17.763 -14.078 544 H LYS 77 H LYS 77 0.341 -19.146 -16.627 545 HA LYS 77 HA LYS 77 2.836 -19.995 -15.324 546 1HB LYS 77 1HB LYS 77 3.587 -20.583 -17.666 547 2HB LYS 77 2HB LYS 77 2.307 -21.572 -16.991 548 1HG LYS 77 1HG LYS 77 1.700 -21.206 -19.220 549 2HG LYS 77 2HG LYS 77 0.685 -20.107 -18.286 550 1HD LYS 77 1HD LYS 77 1.998 -18.235 -18.898 551 2HD LYS 77 2HD LYS 77 3.285 -19.257 -19.535 552 1HE LYS 77 1HE LYS 77 2.038 -18.302 -21.364 553 2HE LYS 77 2HE LYS 77 1.743 -20.037 -21.299 554 1HZ LYS 77 1HZ LYS 77 -0.079 -17.908 -20.316 555 2HZ LYS 77 2HZ LYS 77 -0.363 -19.570 -20.153 556 3HZ LYS 77 3HZ LYS 77 -0.302 -18.865 -21.691 557 H VAL 78 H VAL 78 4.766 -18.923 -15.715 558 HA VAL 78 HA VAL 78 4.721 -16.153 -15.839 559 HB VAL 78 HB VAL 78 6.665 -17.197 -14.950 560 1HG1 VAL 78 1HG1 VAL 78 6.613 -19.285 -16.186 561 2HG1 VAL 78 2HG1 VAL 78 8.216 -18.554 -16.279 562 3HG1 VAL 78 3HG1 VAL 78 7.117 -18.451 -17.655 563 1HG2 VAL 78 1HG2 VAL 78 7.094 -15.060 -16.037 564 2HG2 VAL 78 2HG2 VAL 78 7.426 -15.886 -17.560 565 3HG2 VAL 78 3HG2 VAL 78 8.494 -16.124 -16.177 566 H GLY 79 H GLY 79 3.558 -15.323 -17.468 567 1HA GLY 79 1HA GLY 79 4.286 -14.223 -19.702 568 2HA GLY 79 2HA GLY 79 4.323 -15.897 -20.246 569 H THR 80 H THR 80 2.044 -15.665 -17.956 570 HA THR 80 HA THR 80 -0.181 -15.963 -19.676 571 HB THR 80 HB THR 80 -0.251 -15.181 -16.754 572 HG1 THR 80 HG1 THR 80 0.774 -17.187 -17.085 573 1HG2 THR 80 1HG2 THR 80 -2.360 -14.716 -17.905 574 2HG2 THR 80 2HG2 THR 80 -2.536 -16.084 -16.804 575 3HG2 THR 80 3HG2 THR 80 -2.385 -16.359 -18.541 576 H LYS 81 H LYS 81 -0.667 -14.452 -21.013 577 HA LYS 81 HA LYS 81 -0.398 -11.650 -20.248 578 1HB LYS 81 1HB LYS 81 0.555 -12.371 -22.398 579 2HB LYS 81 2HB LYS 81 -1.050 -12.818 -22.962 580 1HG LYS 81 1HG LYS 81 -1.748 -10.454 -22.675 581 2HG LYS 81 2HG LYS 81 -0.080 -10.055 -22.266 582 1HD LYS 81 1HD LYS 81 -0.450 -9.537 -24.577 583 2HD LYS 81 2HD LYS 81 0.612 -10.942 -24.481 584 1HE LYS 81 1HE LYS 81 -1.219 -12.422 -24.984 585 2HE LYS 81 2HE LYS 81 -2.367 -11.084 -24.917 586 1HZ LYS 81 1HZ LYS 81 -1.335 -10.107 -26.844 587 2HZ LYS 81 2HZ LYS 81 -1.763 -11.711 -27.199 588 3HZ LYS 81 3HZ LYS 81 -0.145 -11.316 -26.880 589 H VAL 82 H VAL 82 -2.013 -10.649 -19.319 590 HA VAL 82 HA VAL 82 -4.625 -11.027 -20.571 591 HB VAL 82 HB VAL 82 -5.535 -10.083 -18.381 592 1HG1 VAL 82 1HG1 VAL 82 -4.399 -12.842 -18.381 593 2HG1 VAL 82 2HG1 VAL 82 -5.865 -12.353 -19.234 594 3HG1 VAL 82 3HG1 VAL 82 -5.799 -12.279 -17.470 595 1HG2 VAL 82 1HG2 VAL 82 -3.732 -9.413 -17.166 596 2HG2 VAL 82 2HG2 VAL 82 -2.816 -10.877 -17.535 597 3HG2 VAL 82 3HG2 VAL 82 -4.184 -10.947 -16.422 598 H LYS 83 H LYS 83 -5.267 -9.445 -21.642 599 HA LYS 83 HA LYS 83 -4.119 -6.785 -21.165 600 1HB LYS 83 1HB LYS 83 -4.910 -6.269 -23.466 601 2HB LYS 83 2HB LYS 83 -3.751 -7.589 -23.408 602 1HG LYS 83 1HG LYS 83 -5.591 -9.191 -23.564 603 2HG LYS 83 2HG LYS 83 -6.735 -7.848 -23.652 604 1HD LYS 83 1HD LYS 83 -5.803 -7.108 -25.725 605 2HD LYS 83 2HD LYS 83 -4.477 -8.269 -25.601 606 1HE LYS 83 1HE LYS 83 -6.204 -9.017 -27.165 607 2HE LYS 83 2HE LYS 83 -6.032 -10.107 -25.792 608 1HZ LYS 83 1HZ LYS 83 -8.121 -8.006 -26.003 609 2HZ LYS 83 2HZ LYS 83 -7.998 -9.198 -24.803 610 3HZ LYS 83 3HZ LYS 83 -8.363 -9.638 -26.401 611 H ASN 84 H ASN 84 -5.388 -4.980 -21.006 612 HA ASN 84 HA ASN 84 -7.204 -3.680 -20.663 613 1HB ASN 84 1HB ASN 84 -8.582 -6.051 -21.870 614 2HB ASN 84 2HB ASN 84 -9.524 -4.743 -21.169 615 1HD2 ASN 84 1HD2 ASN 84 -6.470 -4.239 -22.774 616 2HD2 ASN 84 2HD2 ASN 84 -7.120 -3.431 -24.158 617 H ILE 85 H ILE 85 -6.031 -5.030 -18.439 618 HA ILE 85 HA ILE 85 -7.838 -6.372 -16.819 619 HB ILE 85 HB ILE 85 -6.297 -5.795 -15.027 620 1HG1 ILE 85 1HG1 ILE 85 -4.913 -3.991 -17.028 621 2HG1 ILE 85 2HG1 ILE 85 -5.992 -3.406 -15.767 622 1HG2 ILE 85 1HG2 ILE 85 -5.664 -7.571 -16.580 623 2HG2 ILE 85 2HG2 ILE 85 -4.243 -6.707 -15.991 624 3HG2 ILE 85 3HG2 ILE 85 -4.859 -6.388 -17.613 625 1HD1 ILE 85 1HD1 ILE 85 -3.688 -3.135 -15.113 626 2HD1 ILE 85 2HD1 ILE 85 -3.392 -4.859 -15.352 627 3HD1 ILE 85 3HD1 ILE 85 -4.480 -4.319 -14.073 628 H ARG 86 H ARG 86 -8.196 -5.409 -14.564 629 HA ARG 86 HA ARG 86 -9.254 -2.660 -14.640 630 1HB ARG 86 1HB ARG 86 -11.183 -4.061 -14.672 631 2HB ARG 86 2HB ARG 86 -10.476 -5.186 -13.528 632 1HG ARG 86 1HG ARG 86 -11.999 -4.084 -12.213 633 2HG ARG 86 2HG ARG 86 -10.533 -3.150 -11.904 634 1HD ARG 86 1HD ARG 86 -12.310 -1.608 -12.279 635 2HD ARG 86 2HD ARG 86 -11.257 -1.572 -13.697 636 HE ARG 86 HE ARG 86 -13.895 -2.886 -13.555 637 1HH1 ARG 86 1HH1 ARG 86 -11.286 -1.450 -15.398 638 2HH1 ARG 86 2HH1 ARG 86 -12.114 -1.613 -16.918 639 1HH2 ARG 86 1HH2 ARG 86 -14.978 -3.093 -15.535 640 2HH2 ARG 86 2HH2 ARG 86 -14.227 -2.534 -17.002 641 H LEU 87 H LEU 87 -8.207 -1.410 -13.072 642 HA LEU 87 HA LEU 87 -6.712 -2.744 -10.995 643 1HB LEU 87 1HB LEU 87 -7.266 0.202 -11.398 644 2HB LEU 87 2HB LEU 87 -6.069 -0.490 -10.320 645 HG LEU 87 HG LEU 87 -6.002 -0.681 -13.325 646 1HD1 LEU 87 1HD1 LEU 87 -5.643 1.594 -12.549 647 2HD1 LEU 87 2HD1 LEU 87 -4.160 0.894 -13.196 648 3HD1 LEU 87 3HD1 LEU 87 -4.386 1.023 -11.452 649 1HD2 LEU 87 1HD2 LEU 87 -3.969 -1.481 -11.259 650 2HD2 LEU 87 2HD2 LEU 87 -3.751 -1.537 -13.010 651 3HD2 LEU 87 3HD2 LEU 87 -4.945 -2.580 -12.236 652 H VAL 88 H VAL 88 -7.621 -3.325 -9.114 653 HA VAL 88 HA VAL 88 -10.357 -2.442 -8.632 654 HB VAL 88 HB VAL 88 -9.048 -4.354 -6.772 655 1HG1 VAL 88 1HG1 VAL 88 -11.744 -4.270 -8.112 656 2HG1 VAL 88 2HG1 VAL 88 -11.373 -3.748 -6.469 657 3HG1 VAL 88 3HG1 VAL 88 -11.236 -5.451 -6.905 658 1HG2 VAL 88 1HG2 VAL 88 -9.688 -5.034 -9.634 659 2HG2 VAL 88 2HG2 VAL 88 -9.520 -6.236 -8.354 660 3HG2 VAL 88 3HG2 VAL 88 -8.144 -5.221 -8.792 661 H ASP 89 H ASP 89 -10.975 -2.030 -6.317 662 HA ASP 89 HA ASP 89 -9.304 0.062 -5.268 663 1HB ASP 89 1HB ASP 89 -11.702 0.260 -5.334 664 2HB ASP 89 2HB ASP 89 -11.866 -1.121 -4.272 665 H GLY 90 H GLY 90 -7.634 -1.491 -4.989 666 1HA GLY 90 1HA GLY 90 -7.310 -2.060 -2.179 667 2HA GLY 90 2HA GLY 90 -7.356 -3.507 -3.174 668 H ASP 91 H ASP 91 -5.176 -3.698 -2.147 669 HA ASP 91 HA ASP 91 -3.124 -2.161 -3.585 670 1HB ASP 91 1HB ASP 91 -2.892 -2.199 -1.156 671 2HB ASP 91 2HB ASP 91 -2.903 -3.959 -1.160 672 H HIS 92 H HIS 92 -4.172 -5.422 -2.850 673 HA HIS 92 HA HIS 92 -2.314 -6.547 -4.833 674 1HB HIS 92 1HB HIS 92 -3.840 -7.891 -2.590 675 2HB HIS 92 2HB HIS 92 -2.838 -8.740 -3.762 676 HD1 HIS 92 HD1 HIS 92 -0.305 -8.695 -3.415 677 HD2 HIS 92 HD2 HIS 92 -2.413 -6.354 -0.691 678 HE1 HIS 92 HE1 HIS 92 1.359 -8.029 -1.652 679 HE2 HIS 92 HE2 HIS 92 0.108 -6.451 -0.139 680 H ASP 93 H ASP 93 -3.977 -5.566 -6.420 681 HA ASP 93 HA ASP 93 -6.349 -7.183 -6.594 682 1HB ASP 93 1HB ASP 93 -6.443 -4.294 -5.857 683 2HB ASP 93 2HB ASP 93 -7.797 -5.064 -6.677 684 H ILE 94 H ILE 94 -5.525 -7.831 -8.573 685 HA ILE 94 HA ILE 94 -6.060 -5.824 -10.674 686 HB ILE 94 HB ILE 94 -4.268 -8.237 -10.884 687 1HG1 ILE 94 1HG1 ILE 94 -3.388 -5.364 -10.901 688 2HG1 ILE 94 2HG1 ILE 94 -3.562 -6.250 -9.388 689 1HG2 ILE 94 1HG2 ILE 94 -3.572 -7.241 -13.015 690 2HG2 ILE 94 2HG2 ILE 94 -4.749 -5.947 -12.791 691 3HG2 ILE 94 3HG2 ILE 94 -5.297 -7.610 -13.004 692 1HD1 ILE 94 1HD1 ILE 94 -1.286 -6.284 -10.137 693 2HD1 ILE 94 2HD1 ILE 94 -1.782 -6.977 -11.684 694 3HD1 ILE 94 3HD1 ILE 94 -1.976 -7.906 -10.196 695 H ASP 95 H ASP 95 -7.994 -6.181 -11.438 696 HA ASP 95 HA ASP 95 -8.977 -8.910 -11.586 697 1HB ASP 95 1HB ASP 95 -10.391 -7.089 -10.656 698 2HB ASP 95 2HB ASP 95 -10.372 -6.301 -12.224 699 H CYS 96 H CYS 96 -9.363 -9.954 -13.454 700 HA CYS 96 HA CYS 96 -8.654 -8.588 -15.944 701 1HB CYS 96 1HB CYS 96 -7.287 -10.585 -16.609 702 2HB CYS 96 2HB CYS 96 -6.593 -9.633 -15.300 703 HG CYS 96 HG CYS 96 -7.965 -11.568 -13.443 704 H LYS 97 H LYS 97 -9.698 -9.351 -17.743 705 HA LYS 97 HA LYS 97 -11.839 -11.276 -17.174 706 1HB LYS 97 1HB LYS 97 -11.733 -9.306 -19.464 707 2HB LYS 97 2HB LYS 97 -13.112 -10.268 -18.949 708 1HG LYS 97 1HG LYS 97 -12.841 -8.982 -16.707 709 2HG LYS 97 2HG LYS 97 -11.923 -7.838 -17.687 710 1HD LYS 97 1HD LYS 97 -14.125 -7.019 -17.704 711 2HD LYS 97 2HD LYS 97 -13.934 -7.833 -19.260 712 1HE LYS 97 1HE LYS 97 -14.977 -9.861 -18.238 713 2HE LYS 97 2HE LYS 97 -15.309 -8.900 -16.797 714 1HZ LYS 97 1HZ LYS 97 -16.565 -7.357 -18.291 715 2HZ LYS 97 2HZ LYS 97 -17.256 -8.893 -18.115 716 3HZ LYS 97 3HZ LYS 97 -16.399 -8.508 -19.528 717 H ILE 98 H ILE 98 -11.692 -13.212 -18.068 718 HA ILE 98 HA ILE 98 -9.675 -13.568 -20.189 719 HB ILE 98 HB ILE 98 -10.295 -15.481 -17.929 720 1HG1 ILE 98 1HG1 ILE 98 -7.725 -13.963 -18.327 721 2HG1 ILE 98 2HG1 ILE 98 -9.058 -13.271 -17.408 722 1HG2 ILE 98 1HG2 ILE 98 -9.593 -16.616 -19.964 723 2HG2 ILE 98 2HG2 ILE 98 -8.331 -16.710 -18.737 724 3HG2 ILE 98 3HG2 ILE 98 -8.177 -15.572 -20.076 725 1HD1 ILE 98 1HD1 ILE 98 -7.646 -15.852 -16.792 726 2HD1 ILE 98 2HD1 ILE 98 -8.979 -15.150 -15.872 727 3HD1 ILE 98 3HD1 ILE 98 -7.428 -14.313 -15.956 728 H ASP 99 H ASP 99 -10.769 -13.994 -21.991 729 HA ASP 99 HA ASP 99 -13.364 -14.951 -22.221 730 1HB ASP 99 1HB ASP 99 -12.081 -13.938 -24.097 731 2HB ASP 99 2HB ASP 99 -11.129 -15.416 -24.187 732 H GLY 100 H GLY 100 -14.251 -16.842 -21.903 733 1HA GLY 100 1HA GLY 100 -14.048 -19.216 -22.607 734 2HA GLY 100 2HA GLY 100 -12.475 -19.191 -21.838 735 H ILE 101 H ILE 101 -12.838 -17.958 -19.529 736 HA ILE 101 HA ILE 101 -14.763 -19.701 -18.147 737 HB ILE 101 HB ILE 101 -13.292 -19.536 -16.164 738 1HG1 ILE 101 1HG1 ILE 101 -11.329 -18.205 -18.050 739 2HG1 ILE 101 2HG1 ILE 101 -12.210 -17.371 -16.775 740 1HG2 ILE 101 1HG2 ILE 101 -11.543 -21.024 -17.004 741 2HG2 ILE 101 2HG2 ILE 101 -11.937 -20.555 -18.658 742 3HG2 ILE 101 3HG2 ILE 101 -13.119 -21.430 -17.682 743 1HD1 ILE 101 1HD1 ILE 101 -10.211 -19.586 -16.385 744 2HD1 ILE 101 2HD1 ILE 101 -11.094 -18.758 -15.102 745 3HD1 ILE 101 3HD1 ILE 101 -9.938 -17.869 -16.093 746 H GLY 102 H GLY 102 -13.308 -16.472 -18.174 747 1HA GLY 102 1HA GLY 102 -15.222 -14.754 -17.945 748 2HA GLY 102 2HA GLY 102 -15.432 -15.535 -16.381 749 H ALA 103 H ALA 103 -14.897 -13.659 -15.217 750 HA ALA 103 HA ALA 103 -12.282 -12.471 -15.641 751 1HB ALA 103 1HB ALA 103 -12.960 -10.848 -13.950 752 2HB ALA 103 2HB ALA 103 -14.428 -11.776 -13.637 753 3HB ALA 103 3HB ALA 103 -14.189 -11.006 -15.206 754 H MET 104 H MET 104 -10.747 -12.236 -13.911 755 HA MET 104 HA MET 104 -10.950 -14.104 -11.690 756 1HB MET 104 1HB MET 104 -10.030 -15.499 -13.472 757 2HB MET 104 2HB MET 104 -8.765 -14.315 -13.774 758 1HG MET 104 1HG MET 104 -7.717 -14.772 -11.706 759 2HG MET 104 2HG MET 104 -9.095 -15.708 -11.133 760 1HE MET 104 1HE MET 104 -6.202 -18.359 -11.496 761 2HE MET 104 2HE MET 104 -7.378 -17.637 -10.397 762 3HE MET 104 3HE MET 104 -6.033 -16.672 -11.009 763 H LYS 105 H LYS 105 -9.060 -13.868 -10.195 764 HA LYS 105 HA LYS 105 -8.258 -11.039 -10.120 765 1HB LYS 105 1HB LYS 105 -8.379 -12.928 -7.773 766 2HB LYS 105 2HB LYS 105 -8.217 -11.182 -7.731 767 1HG LYS 105 1HG LYS 105 -10.417 -11.385 -7.191 768 2HG LYS 105 2HG LYS 105 -10.548 -11.281 -8.947 769 1HD LYS 105 1HD LYS 105 -10.805 -13.641 -9.148 770 2HD LYS 105 2HD LYS 105 -10.407 -13.888 -7.447 771 1HE LYS 105 1HE LYS 105 -12.801 -14.091 -7.793 772 2HE LYS 105 2HE LYS 105 -12.440 -12.681 -6.803 773 1HZ LYS 105 1HZ LYS 105 -13.057 -12.633 -9.709 774 2HZ LYS 105 2HZ LYS 105 -12.725 -11.277 -8.751 775 3HZ LYS 105 3HZ LYS 105 -14.122 -12.199 -8.466 776 H LEU 106 H LEU 106 -6.122 -10.529 -9.548 777 HA LEU 106 HA LEU 106 -4.220 -12.771 -9.616 778 1HB LEU 106 1HB LEU 106 -3.996 -10.167 -11.124 779 2HB LEU 106 2HB LEU 106 -2.742 -11.387 -11.031 780 HG LEU 106 HG LEU 106 -5.456 -11.783 -12.293 781 1HD1 LEU 106 1HD1 LEU 106 -2.744 -11.391 -13.547 782 2HD1 LEU 106 2HD1 LEU 106 -4.067 -10.223 -13.546 783 3HD1 LEU 106 3HD1 LEU 106 -4.241 -11.754 -14.407 784 1HD2 LEU 106 1HD2 LEU 106 -4.527 -13.853 -11.380 785 2HD2 LEU 106 2HD2 LEU 106 -3.014 -13.565 -12.239 786 3HD2 LEU 106 3HD2 LEU 106 -4.497 -13.873 -13.143 787 H LYS 107 H LYS 107 -2.507 -12.601 -8.387 788 HA LYS 107 HA LYS 107 -2.362 -10.591 -6.356 789 1HB LYS 107 1HB LYS 107 -1.006 -13.152 -6.891 790 2HB LYS 107 2HB LYS 107 -0.026 -11.948 -6.065 791 1HG LYS 107 1HG LYS 107 -1.858 -11.718 -4.387 792 2HG LYS 107 2HG LYS 107 -2.664 -13.081 -5.168 793 1HD LYS 107 1HD LYS 107 -0.912 -14.562 -4.607 794 2HD LYS 107 2HD LYS 107 0.163 -13.237 -4.157 795 1HE LYS 107 1HE LYS 107 -2.359 -14.042 -2.714 796 2HE LYS 107 2HE LYS 107 -0.712 -14.390 -2.191 797 1HZ LYS 107 1HZ LYS 107 -2.044 -11.745 -2.363 798 2HZ LYS 107 2HZ LYS 107 -0.363 -11.908 -2.188 799 3HZ LYS 107 3HZ LYS 107 -1.408 -12.508 -0.988 800 H SER 108 H SER 108 -1.406 -8.733 -6.532 801 HA SER 108 HA SER 108 -0.151 -7.836 -8.840 802 1HB SER 108 1HB SER 108 0.627 -5.953 -7.243 803 2HB SER 108 2HB SER 108 -1.105 -6.200 -7.464 804 HG SER 108 HG SER 108 -0.011 -6.066 -5.210 805 H GLU 109 H GLU 109 1.191 -9.206 -5.871 806 HA GLU 109 HA GLU 109 3.874 -8.668 -6.479 807 1HB GLU 109 1HB GLU 109 4.393 -10.294 -4.738 808 2HB GLU 109 2HB GLU 109 3.177 -9.127 -4.233 809 1HG GLU 109 1HG GLU 109 2.182 -11.616 -5.426 810 2HG GLU 109 2HG GLU 109 2.977 -11.748 -3.868 811 H PHE 110 H PHE 110 1.775 -10.866 -8.023 812 HA PHE 110 HA PHE 110 4.111 -12.432 -8.881 813 1HB PHE 110 1HB PHE 110 1.188 -13.074 -8.705 814 2HB PHE 110 2HB PHE 110 2.252 -14.013 -9.742 815 HD1 PHE 110 HD1 PHE 110 4.178 -15.232 -8.723 816 HD2 PHE 110 HD2 PHE 110 1.140 -13.407 -6.374 817 HE1 PHE 110 HE1 PHE 110 4.848 -16.608 -6.798 818 HE2 PHE 110 HE2 PHE 110 1.804 -14.778 -4.442 819 HZ PHE 110 HZ PHE 110 3.661 -16.382 -4.653 820 H VAL 111 H VAL 111 2.579 -9.786 -9.954 821 HA VAL 111 HA VAL 111 2.418 -10.775 -12.727 822 HB VAL 111 HB VAL 111 0.925 -8.920 -13.235 823 1HG1 VAL 111 1HG1 VAL 111 -0.068 -11.006 -12.511 824 2HG1 VAL 111 2HG1 VAL 111 -1.012 -9.650 -11.892 825 3HG1 VAL 111 3HG1 VAL 111 0.085 -10.525 -10.821 826 1HG2 VAL 111 1HG2 VAL 111 1.203 -8.232 -10.312 827 2HG2 VAL 111 2HG2 VAL 111 0.051 -7.504 -11.430 828 3HG2 VAL 111 3HG2 VAL 111 1.779 -7.276 -11.679 829 H ARG 112 H ARG 112 2.846 -9.155 -14.404 830 HA ARG 112 HA ARG 112 4.828 -7.122 -13.731 831 1HB ARG 112 1HB ARG 112 6.315 -8.832 -14.308 832 2HB ARG 112 2HB ARG 112 5.242 -9.485 -15.535 833 1HG ARG 112 1HG ARG 112 5.891 -7.959 -17.118 834 2HG ARG 112 2HG ARG 112 6.389 -6.764 -15.925 835 1HD ARG 112 1HD ARG 112 8.322 -8.160 -15.347 836 2HD ARG 112 2HD ARG 112 7.820 -9.345 -16.545 837 HE ARG 112 HE ARG 112 8.504 -6.583 -17.314 838 1HH1 ARG 112 1HH1 ARG 112 8.936 -10.042 -17.662 839 2HH1 ARG 112 2HH1 ARG 112 10.000 -9.902 -19.027 840 1HH2 ARG 112 1HH2 ARG 112 9.889 -6.383 -19.088 841 2HH2 ARG 112 2HH2 ARG 112 10.549 -7.804 -19.847 842 H LYS 113 H LYS 113 4.493 -5.302 -14.840 843 HA LYS 113 HA LYS 113 2.400 -5.019 -16.687 844 1HB LYS 113 1HB LYS 113 3.374 -3.158 -15.339 845 2HB LYS 113 2HB LYS 113 4.795 -3.209 -16.379 846 1HG LYS 113 1HG LYS 113 3.057 -2.955 -18.296 847 2HG LYS 113 2HG LYS 113 2.024 -2.333 -17.009 848 1HD LYS 113 1HD LYS 113 3.632 -0.618 -16.492 849 2HD LYS 113 2HD LYS 113 4.769 -1.288 -17.668 850 1HE LYS 113 1HE LYS 113 3.727 0.504 -18.762 851 2HE LYS 113 2HE LYS 113 2.965 -0.939 -19.401 852 1HZ LYS 113 1HZ LYS 113 1.114 -0.590 -17.877 853 2HZ LYS 113 2HZ LYS 113 1.323 0.737 -18.914 854 3HZ LYS 113 3HZ LYS 113 1.842 0.836 -17.302 855 H VAL 114 H VAL 114 2.333 -5.057 -18.855 856 HA VAL 114 HA VAL 114 4.792 -5.799 -20.291 857 HB VAL 114 HB VAL 114 1.965 -5.923 -21.352 858 1HG1 VAL 114 1HG1 VAL 114 2.940 -7.381 -23.060 859 2HG1 VAL 114 2HG1 VAL 114 4.536 -7.152 -22.343 860 3HG1 VAL 114 3HG1 VAL 114 3.690 -5.784 -23.066 861 1HG2 VAL 114 1HG2 VAL 114 2.083 -8.340 -20.967 862 2HG2 VAL 114 2HG2 VAL 114 2.169 -7.428 -19.461 863 3HG2 VAL 114 3HG2 VAL 114 3.633 -8.128 -20.153 864 H GLY 115 H GLY 115 2.037 -3.588 -20.337 865 1HA GLY 115 1HA GLY 115 1.992 -1.368 -20.996 866 2HA GLY 115 2HA GLY 115 3.683 -1.505 -21.457 867 H SER 116 H SER 116 1.286 -3.733 -22.635 868 HA SER 116 HA SER 116 1.759 -2.807 -25.336 869 1HB SER 116 1HB SER 116 0.103 -5.120 -24.300 870 2HB SER 116 2HB SER 116 0.426 -4.782 -26.002 871 HG SER 116 HG SER 116 2.769 -4.795 -25.029 Start of MODEL 19 1 H MET 1 H MET 1 -7.356 18.711 12.510 2 HA MET 1 HA MET 1 -5.685 18.283 14.885 3 1HB MET 1 1HB MET 1 -7.772 18.078 16.201 4 2HB MET 1 2HB MET 1 -7.508 19.709 15.601 5 1HG MET 1 1HG MET 1 -9.376 19.689 14.388 6 2HG MET 1 2HG MET 1 -9.072 18.064 13.779 7 1HE MET 1 1HE MET 1 -10.584 15.779 16.506 8 2HE MET 1 2HE MET 1 -8.902 16.303 16.417 9 3HE MET 1 3HE MET 1 -9.773 15.886 14.941 10 H VAL 2 H VAL 2 -7.302 17.109 12.258 11 HA VAL 2 HA VAL 2 -8.261 14.651 13.381 12 HB VAL 2 HB VAL 2 -8.001 15.498 10.494 13 1HG1 VAL 2 1HG1 VAL 2 -8.038 13.067 10.682 14 2HG1 VAL 2 2HG1 VAL 2 -9.554 13.662 10.007 15 3HG1 VAL 2 3HG1 VAL 2 -9.479 13.155 11.695 16 1HG2 VAL 2 1HG2 VAL 2 -9.517 16.898 11.764 17 2HG2 VAL 2 2HG2 VAL 2 -10.356 15.471 12.369 18 3HG2 VAL 2 3HG2 VAL 2 -10.420 15.869 10.652 19 H SER 3 H SER 3 -6.959 13.081 13.957 20 HA SER 3 HA SER 3 -5.116 12.027 11.983 21 1HB SER 3 1HB SER 3 -4.102 12.398 14.792 22 2HB SER 3 2HB SER 3 -3.183 12.025 13.338 23 HG SER 3 HG SER 3 -4.005 14.215 12.632 24 H THR 4 H THR 4 -5.754 9.972 11.822 25 HA THR 4 HA THR 4 -6.952 8.546 14.015 26 HB THR 4 HB THR 4 -7.807 7.970 11.877 27 HG1 THR 4 HG1 THR 4 -7.094 5.693 11.687 28 1HG2 THR 4 1HG2 THR 4 -6.399 7.137 10.035 29 2HG2 THR 4 2HG2 THR 4 -4.962 7.443 11.012 30 3HG2 THR 4 3HG2 THR 4 -5.979 8.788 10.495 31 H LEU 5 H LEU 5 -3.867 8.716 12.429 32 HA LEU 5 HA LEU 5 -2.743 6.443 13.801 33 1HB LEU 5 1HB LEU 5 -1.377 8.557 12.127 34 2HB LEU 5 2HB LEU 5 -0.761 6.961 12.516 35 HG LEU 5 HG LEU 5 -3.253 7.400 10.879 36 1HD1 LEU 5 1HD1 LEU 5 -1.330 8.423 9.760 37 2HD1 LEU 5 2HD1 LEU 5 -1.911 6.992 8.908 38 3HD1 LEU 5 3HD1 LEU 5 -0.454 6.899 9.895 39 1HD2 LEU 5 1HD2 LEU 5 -1.454 5.007 11.240 40 2HD2 LEU 5 2HD2 LEU 5 -2.863 5.090 10.184 41 3HD2 LEU 5 3HD2 LEU 5 -3.063 5.210 11.932 42 HA PRO 6 HA PRO 6 -0.897 8.740 17.164 43 1HB PRO 6 1HB PRO 6 1.667 7.887 17.282 44 2HB PRO 6 2HB PRO 6 0.313 6.854 17.762 45 1HG PRO 6 1HG PRO 6 1.788 6.948 15.158 46 2HG PRO 6 2HG PRO 6 1.362 5.530 16.134 47 1HD PRO 6 1HD PRO 6 -0.104 6.249 14.001 48 2HD PRO 6 2HD PRO 6 -0.868 5.587 15.460 49 HA PRO 7 HA PRO 7 1.001 12.288 15.361 50 1HB PRO 7 1HB PRO 7 2.174 12.994 17.935 51 2HB PRO 7 2HB PRO 7 0.849 13.772 17.069 52 1HG PRO 7 1HG PRO 7 0.498 12.372 19.372 53 2HG PRO 7 2HG PRO 7 -0.751 12.505 18.120 54 1HD PRO 7 1HD PRO 7 1.126 10.243 18.696 55 2HD PRO 7 2HD PRO 7 -0.587 10.200 18.225 56 H CYS 8 H CYS 8 3.225 13.605 15.991 57 HA CYS 8 HA CYS 8 5.361 11.721 15.353 58 1HB CYS 8 1HB CYS 8 5.205 13.531 13.802 59 2HB CYS 8 2HB CYS 8 5.069 14.711 15.092 60 HA PRO 9 HA PRO 9 6.662 12.089 19.631 61 1HB PRO 9 1HB PRO 9 8.965 10.666 19.373 62 2HB PRO 9 2HB PRO 9 7.373 9.904 19.470 63 1HG PRO 9 1HG PRO 9 9.033 10.517 17.051 64 2HG PRO 9 2HG PRO 9 8.141 9.037 17.447 65 1HD PRO 9 1HD PRO 9 7.157 10.865 15.743 66 2HD PRO 9 2HD PRO 9 6.104 9.947 16.838 67 H GLN 10 H GLN 10 7.620 13.771 17.122 68 HA GLN 10 HA GLN 10 9.915 14.995 18.476 69 1HB GLN 10 1HB GLN 10 9.402 14.848 15.506 70 2HB GLN 10 2HB GLN 10 10.808 15.559 16.290 71 1HG GLN 10 1HG GLN 10 11.644 13.489 16.942 72 2HG GLN 10 2HG GLN 10 10.085 12.693 16.712 73 1HE2 GLN 10 1HE2 GLN 10 11.180 14.952 14.383 74 2HE2 GLN 10 2HE2 GLN 10 11.585 13.813 13.158 75 H CYS 11 H CYS 11 6.941 15.581 16.488 76 HA CYS 11 HA CYS 11 7.167 18.427 17.127 77 1HB CYS 11 1HB CYS 11 5.384 16.989 15.140 78 2HB CYS 11 2HB CYS 11 5.486 18.727 15.360 79 H ASN 12 H ASN 12 4.983 15.665 17.006 80 HA ASN 12 HA ASN 12 3.134 15.046 18.133 81 1HB ASN 12 1HB ASN 12 4.534 15.764 20.107 82 2HB ASN 12 2HB ASN 12 3.667 17.296 20.068 83 1HD2 ASN 12 1HD2 ASN 12 2.684 17.061 22.022 84 2HD2 ASN 12 2HD2 ASN 12 1.458 15.878 22.334 85 H SER 13 H SER 13 3.422 17.979 16.653 86 HA SER 13 HA SER 13 1.116 19.373 17.237 87 1HB SER 13 1HB SER 13 2.983 20.095 15.680 88 2HB SER 13 2HB SER 13 2.197 19.135 14.427 89 HG SER 13 HG SER 13 1.296 21.469 15.730 90 H GLU 14 H GLU 14 1.251 17.511 14.182 91 HA GLU 14 HA GLU 14 -0.750 15.673 14.651 92 1HB GLU 14 1HB GLU 14 -2.768 16.641 13.674 93 2HB GLU 14 2HB GLU 14 -2.265 17.535 15.101 94 1HG GLU 14 1HG GLU 14 -1.354 19.295 13.729 95 2HG GLU 14 2HG GLU 14 -1.708 18.377 12.265 96 H TYR 15 H TYR 15 1.288 17.284 12.523 97 HA TYR 15 HA TYR 15 -0.011 16.591 10.071 98 1HB TYR 15 1HB TYR 15 2.723 17.722 10.668 99 2HB TYR 15 2HB TYR 15 2.118 17.446 9.038 100 HD1 TYR 15 HD1 TYR 15 1.916 19.559 12.000 101 HD2 TYR 15 HD2 TYR 15 0.260 18.787 8.160 102 HE1 TYR 15 HE1 TYR 15 0.814 21.754 12.039 103 HE2 TYR 15 HE2 TYR 15 -0.845 20.982 8.189 104 HH TYR 15 HH TYR 15 -1.622 22.630 9.856 105 H THR 16 H THR 16 0.535 14.341 11.751 106 HA THR 16 HA THR 16 2.628 12.904 10.311 107 HB THR 16 HB THR 16 0.964 11.835 12.582 108 HG1 THR 16 HG1 THR 16 2.638 13.970 12.613 109 1HG2 THR 16 1HG2 THR 16 2.465 10.287 11.397 110 2HG2 THR 16 2HG2 THR 16 2.996 10.565 13.056 111 3HG2 THR 16 3HG2 THR 16 3.817 11.370 11.720 112 H TYR 17 H TYR 17 2.186 11.221 8.947 113 HA TYR 17 HA TYR 17 -0.530 10.284 8.613 114 1HB TYR 17 1HB TYR 17 -0.791 10.902 6.335 115 2HB TYR 17 2HB TYR 17 -0.269 12.359 7.163 116 HD1 TYR 17 HD1 TYR 17 0.649 9.774 4.741 117 HD2 TYR 17 HD2 TYR 17 1.943 13.347 6.673 118 HE1 TYR 17 HE1 TYR 17 2.425 10.031 3.065 119 HE2 TYR 17 HE2 TYR 17 3.715 13.606 5.000 120 HH TYR 17 HH TYR 17 3.843 11.720 2.123 121 H GLU 18 H GLU 18 -0.509 8.531 6.747 122 HA GLU 18 HA GLU 18 1.922 6.966 7.206 123 1HB GLU 18 1HB GLU 18 0.516 5.013 6.547 124 2HB GLU 18 2HB GLU 18 -0.054 5.840 7.989 125 1HG GLU 18 1HG GLU 18 -1.797 6.926 6.732 126 2HG GLU 18 2HG GLU 18 -1.180 6.245 5.228 127 H ASP 19 H ASP 19 3.313 6.810 5.591 128 HA ASP 19 HA ASP 19 2.289 6.815 2.847 129 1HB ASP 19 1HB ASP 19 3.953 8.636 3.461 130 2HB ASP 19 2HB ASP 19 5.138 7.357 3.702 131 H GLY 20 H GLY 20 1.748 4.577 3.097 132 1HA GLY 20 1HA GLY 20 2.381 2.482 2.243 133 2HA GLY 20 2HA GLY 20 4.062 2.906 2.527 134 H ALA 21 H ALA 21 5.040 2.007 4.176 135 HA ALA 21 HA ALA 21 3.394 0.335 5.957 136 1HB ALA 21 1HB ALA 21 4.882 -0.866 4.432 137 2HB ALA 21 2HB ALA 21 5.321 -1.134 6.120 138 3HB ALA 21 3HB ALA 21 6.267 -0.024 5.128 139 H LEU 22 H LEU 22 4.330 3.198 6.371 140 HA LEU 22 HA LEU 22 4.987 2.869 9.118 141 1HB LEU 22 1HB LEU 22 7.095 3.834 9.240 142 2HB LEU 22 2HB LEU 22 7.220 2.706 7.904 143 HG LEU 22 HG LEU 22 6.758 5.667 7.555 144 1HD1 LEU 22 1HD1 LEU 22 9.309 4.082 7.453 145 2HD1 LEU 22 2HD1 LEU 22 8.873 5.296 8.658 146 3HD1 LEU 22 3HD1 LEU 22 9.135 5.771 6.977 147 1HD2 LEU 22 1HD2 LEU 22 7.524 5.219 5.252 148 2HD2 LEU 22 2HD2 LEU 22 6.035 4.360 5.646 149 3HD2 LEU 22 3HD2 LEU 22 7.573 3.495 5.623 150 H LEU 23 H LEU 23 5.651 5.279 9.929 151 HA LEU 23 HA LEU 23 3.675 7.096 8.729 152 1HB LEU 23 1HB LEU 23 4.883 7.293 11.484 153 2HB LEU 23 2HB LEU 23 3.502 8.173 10.860 154 HG LEU 23 HG LEU 23 3.589 5.213 11.444 155 1HD1 LEU 23 1HD1 LEU 23 2.195 7.484 12.846 156 2HD1 LEU 23 2HD1 LEU 23 3.579 6.574 13.452 157 3HD1 LEU 23 3HD1 LEU 23 2.024 5.772 13.233 158 1HD2 LEU 23 1HD2 LEU 23 1.335 6.962 10.475 159 2HD2 LEU 23 2HD2 LEU 23 1.175 5.285 10.993 160 3HD2 LEU 23 3HD2 LEU 23 2.132 5.679 9.563 161 H VAL 24 H VAL 24 4.372 9.046 7.961 162 HA VAL 24 HA VAL 24 7.133 9.812 8.591 163 HB VAL 24 HB VAL 24 7.777 10.201 6.461 164 1HG1 VAL 24 1HG1 VAL 24 7.178 7.869 6.449 165 2HG1 VAL 24 2HG1 VAL 24 6.880 8.571 4.859 166 3HG1 VAL 24 3HG1 VAL 24 5.532 8.264 5.955 167 1HG2 VAL 24 1HG2 VAL 24 6.219 11.981 5.999 168 2HG2 VAL 24 2HG2 VAL 24 4.929 10.815 5.693 169 3HG2 VAL 24 3HG2 VAL 24 6.313 10.902 4.605 170 H CYS 25 H CYS 25 7.467 11.944 8.990 171 HA CYS 25 HA CYS 25 5.031 13.556 9.244 172 1HB CYS 25 1HB CYS 25 6.206 13.032 11.332 173 2HB CYS 25 2HB CYS 25 7.686 13.722 10.679 174 HA PRO 26 HA PRO 26 6.997 15.928 5.917 175 1HB PRO 26 1HB PRO 26 4.787 17.431 5.410 176 2HB PRO 26 2HB PRO 26 5.026 15.814 4.739 177 1HG PRO 26 1HG PRO 26 3.416 16.660 7.115 178 2HG PRO 26 2HG PRO 26 3.004 15.498 5.838 179 1HD PRO 26 1HD PRO 26 3.887 14.718 8.270 180 2HD PRO 26 2HD PRO 26 4.267 13.815 6.789 181 H GLU 27 H GLU 27 5.614 16.698 8.915 182 HA GLU 27 HA GLU 27 5.832 19.507 8.916 183 1HB GLU 27 1HB GLU 27 4.556 17.929 10.523 184 2HB GLU 27 2HB GLU 27 6.088 17.794 11.371 185 1HG GLU 27 1HG GLU 27 6.104 20.232 11.681 186 2HG GLU 27 2HG GLU 27 4.530 20.321 10.889 187 H CYS 28 H CYS 28 7.969 17.068 10.549 188 HA CYS 28 HA CYS 28 10.103 19.057 10.396 189 1HB CYS 28 1HB CYS 28 11.273 17.653 12.050 190 2HB CYS 28 2HB CYS 28 9.685 18.159 12.612 191 H ALA 29 H ALA 29 9.139 16.819 8.251 192 HA ALA 29 HA ALA 29 10.122 15.534 6.709 193 1HB ALA 29 1HB ALA 29 12.553 17.201 7.330 194 2HB ALA 29 2HB ALA 29 11.256 17.649 6.222 195 3HB ALA 29 3HB ALA 29 12.278 16.256 5.866 196 H HIS 30 H HIS 30 9.957 14.195 9.055 197 HA HIS 30 HA HIS 30 12.206 12.377 8.716 198 1HB HIS 30 1HB HIS 30 12.744 13.912 10.661 199 2HB HIS 30 2HB HIS 30 11.360 13.208 11.492 200 HD1 HIS 30 HD1 HIS 30 12.132 11.508 13.132 201 HD2 HIS 30 HD2 HIS 30 14.473 11.527 9.693 202 HE1 HIS 30 HE1 HIS 30 13.852 9.710 13.472 203 HE2 HIS 30 HE2 HIS 30 15.166 9.639 11.321 204 H GLU 31 H GLU 31 11.510 10.355 8.589 205 HA GLU 31 HA GLU 31 8.755 9.788 9.388 206 1HB GLU 31 1HB GLU 31 9.433 7.549 8.104 207 2HB GLU 31 2HB GLU 31 8.849 8.979 7.270 208 1HG GLU 31 1HG GLU 31 10.754 8.044 6.124 209 2HG GLU 31 2HG GLU 31 11.149 9.632 6.774 210 H TRP 32 H TRP 32 8.449 7.383 10.114 211 HA TRP 32 HA TRP 32 10.462 6.213 11.714 212 1HB TRP 32 1HB TRP 32 9.924 6.888 13.868 213 2HB TRP 32 2HB TRP 32 9.694 8.383 12.977 214 HD1 TRP 32 HD1 TRP 32 6.830 8.320 11.980 215 HE1 TRP 32 HE1 TRP 32 4.801 8.162 13.570 216 HE3 TRP 32 HE3 TRP 32 9.161 6.341 16.070 217 HZ2 TRP 32 HZ2 TRP 32 4.273 7.317 16.205 218 HZ3 TRP 32 HZ3 TRP 32 7.827 5.894 18.087 219 HH2 TRP 32 HH2 TRP 32 5.433 6.370 18.153 220 H SER 33 H SER 33 9.512 4.394 12.964 221 HA SER 33 HA SER 33 6.981 3.542 11.747 222 1HB SER 33 1HB SER 33 9.242 1.721 12.561 223 2HB SER 33 2HB SER 33 7.834 1.329 11.579 224 HG SER 33 HG SER 33 8.915 3.267 10.303 225 HA PRO 34 HA PRO 34 5.668 3.997 15.931 226 1HB PRO 34 1HB PRO 34 3.303 2.577 15.685 227 2HB PRO 34 2HB PRO 34 3.518 4.274 15.247 228 1HG PRO 34 1HG PRO 34 3.572 1.846 13.504 229 2HG PRO 34 2HG PRO 34 2.852 3.437 13.193 230 1HD PRO 34 1HD PRO 34 5.189 2.737 12.095 231 2HD PRO 34 2HD PRO 34 4.900 4.394 12.660 232 H ASN 35 H ASN 35 5.566 0.782 14.439 233 HA ASN 35 HA ASN 35 5.947 -0.357 17.135 234 1HB ASN 35 1HB ASN 35 4.986 -1.875 14.703 235 2HB ASN 35 2HB ASN 35 4.949 -2.404 16.379 236 1HD2 ASN 35 1HD2 ASN 35 3.396 -0.592 13.916 237 2HD2 ASN 35 2HD2 ASN 35 1.961 -0.198 14.801 238 H GLU 36 H GLU 36 7.045 -0.332 13.832 239 HA GLU 36 HA GLU 36 8.754 -2.581 14.017 240 1HB GLU 36 1HB GLU 36 8.738 -0.306 12.025 241 2HB GLU 36 2HB GLU 36 9.609 -1.816 11.826 242 1HG GLU 36 1HG GLU 36 7.583 -1.844 10.516 243 2HG GLU 36 2HG GLU 36 7.482 -3.037 11.807 244 H ALA 37 H ALA 37 9.112 0.637 15.050 245 HA ALA 37 HA ALA 37 11.999 0.669 14.943 246 1HB ALA 37 1HB ALA 37 10.040 2.513 16.305 247 2HB ALA 37 2HB ALA 37 10.777 2.754 14.718 248 3HB ALA 37 3HB ALA 37 11.779 2.791 16.171 249 H ALA 38 H ALA 38 9.513 0.451 17.459 250 HA ALA 38 HA ALA 38 11.431 0.093 19.567 251 1HB ALA 38 1HB ALA 38 8.433 -0.233 19.576 252 2HB ALA 38 2HB ALA 38 9.316 1.246 19.958 253 3HB ALA 38 3HB ALA 38 9.471 -0.169 21.001 254 H THR 39 H THR 39 9.313 -1.954 17.674 255 HA THR 39 HA THR 39 10.185 -4.324 19.175 256 HB THR 39 HB THR 39 8.007 -4.301 17.092 257 HG1 THR 39 HG1 THR 39 7.138 -2.796 18.362 258 1HG2 THR 39 1HG2 THR 39 7.057 -6.049 18.594 259 2HG2 THR 39 2HG2 THR 39 8.500 -5.915 19.600 260 3HG2 THR 39 3HG2 THR 39 8.632 -6.478 17.934 261 H ALA 40 H ALA 40 10.377 -6.328 17.638 262 HA ALA 40 HA ALA 40 12.445 -5.972 15.804 263 1HB ALA 40 1HB ALA 40 11.951 -8.118 16.869 264 2HB ALA 40 2HB ALA 40 11.997 -8.275 15.112 265 3HB ALA 40 3HB ALA 40 10.448 -8.230 15.953 266 H SER 41 H SER 41 12.498 -5.862 13.552 267 HA SER 41 HA SER 41 10.168 -4.559 12.444 268 1HB SER 41 1HB SER 41 12.789 -5.111 11.051 269 2HB SER 41 2HB SER 41 11.607 -3.859 10.665 270 HG SER 41 HG SER 41 12.085 -3.017 12.841 271 H ASP 42 H ASP 42 10.740 -7.649 12.844 272 HA ASP 42 HA ASP 42 9.778 -8.445 10.179 273 1HB ASP 42 1HB ASP 42 10.637 -10.655 10.589 274 2HB ASP 42 2HB ASP 42 11.919 -9.501 10.942 275 H ASP 43 H ASP 43 8.146 -10.077 10.080 276 HA ASP 43 HA ASP 43 6.651 -11.058 12.216 277 1HB ASP 43 1HB ASP 43 6.088 -8.694 12.668 278 2HB ASP 43 2HB ASP 43 5.467 -8.531 11.030 279 H GLY 44 H GLY 44 6.642 -9.777 8.960 280 1HA GLY 44 1HA GLY 44 6.258 -11.488 7.191 281 2HA GLY 44 2HA GLY 44 4.861 -11.988 8.138 282 H LYS 45 H LYS 45 6.098 -8.790 7.197 283 HA LYS 45 HA LYS 45 3.361 -8.047 6.456 284 1HB LYS 45 1HB LYS 45 5.733 -6.195 6.623 285 2HB LYS 45 2HB LYS 45 4.029 -5.784 6.719 286 1HG LYS 45 1HG LYS 45 5.367 -7.472 8.807 287 2HG LYS 45 2HG LYS 45 5.407 -5.713 8.864 288 1HD LYS 45 1HD LYS 45 3.620 -6.493 10.264 289 2HD LYS 45 2HD LYS 45 2.922 -5.711 8.848 290 1HE LYS 45 1HE LYS 45 2.193 -7.713 7.943 291 2HE LYS 45 2HE LYS 45 3.356 -8.668 8.862 292 1HZ LYS 45 1HZ LYS 45 1.005 -8.841 9.624 293 2HZ LYS 45 2HZ LYS 45 1.093 -7.217 10.121 294 3HZ LYS 45 3HZ LYS 45 2.109 -8.380 10.825 295 H VAL 46 H VAL 46 6.135 -9.147 4.972 296 HA VAL 46 HA VAL 46 5.522 -7.697 2.488 297 HB VAL 46 HB VAL 46 8.278 -8.727 3.086 298 1HG1 VAL 46 1HG1 VAL 46 8.937 -7.036 1.477 299 2HG1 VAL 46 2HG1 VAL 46 7.271 -6.476 1.356 300 3HG1 VAL 46 3HG1 VAL 46 7.702 -8.090 0.790 301 1HG2 VAL 46 1HG2 VAL 46 7.721 -7.270 4.958 302 2HG2 VAL 46 2HG2 VAL 46 7.206 -6.008 3.839 303 3HG2 VAL 46 3HG2 VAL 46 8.900 -6.496 3.898 304 H ILE 47 H ILE 47 5.409 -8.852 0.633 305 HA ILE 47 HA ILE 47 5.227 -11.771 0.978 306 HB ILE 47 HB ILE 47 3.961 -10.352 -1.333 307 1HG1 ILE 47 1HG1 ILE 47 3.383 -8.957 0.605 308 2HG1 ILE 47 2HG1 ILE 47 1.975 -9.818 -0.008 309 1HG2 ILE 47 1HG2 ILE 47 2.135 -12.079 -0.764 310 2HG2 ILE 47 2HG2 ILE 47 3.336 -12.783 0.327 311 3HG2 ILE 47 3HG2 ILE 47 3.672 -12.684 -1.401 312 1HD1 ILE 47 1HD1 ILE 47 2.018 -9.801 2.413 313 2HD1 ILE 47 2HD1 ILE 47 3.601 -10.580 2.404 314 3HD1 ILE 47 3HD1 ILE 47 2.188 -11.443 1.795 315 H LYS 48 H LYS 48 6.207 -13.150 -0.505 316 HA LYS 48 HA LYS 48 8.209 -11.873 -2.232 317 1HB LYS 48 1HB LYS 48 8.139 -14.378 -0.654 318 2HB LYS 48 2HB LYS 48 9.023 -14.414 -2.171 319 1HG LYS 48 1HG LYS 48 10.760 -13.569 -1.104 320 2HG LYS 48 2HG LYS 48 9.845 -12.078 -0.879 321 1HD LYS 48 1HD LYS 48 9.680 -14.449 0.983 322 2HD LYS 48 2HD LYS 48 10.745 -13.064 1.242 323 1HE LYS 48 1HE LYS 48 8.970 -11.608 1.600 324 2HE LYS 48 2HE LYS 48 7.813 -12.667 0.795 325 1HZ LYS 48 1HZ LYS 48 9.124 -13.334 3.372 326 2HZ LYS 48 2HZ LYS 48 7.827 -14.148 2.631 327 3HZ LYS 48 3HZ LYS 48 7.608 -12.586 3.250 328 H ASP 49 H ASP 49 8.802 -13.086 -4.185 329 HA ASP 49 HA ASP 49 6.399 -14.131 -5.523 330 1HB ASP 49 1HB ASP 49 8.879 -12.933 -6.758 331 2HB ASP 49 2HB ASP 49 7.409 -13.381 -7.607 332 H SER 50 H SER 50 6.994 -15.611 -7.420 333 HA SER 50 HA SER 50 8.430 -17.891 -6.379 334 1HB SER 50 1HB SER 50 6.398 -18.169 -7.745 335 2HB SER 50 2HB SER 50 7.240 -17.472 -9.125 336 HG SER 50 HG SER 50 8.828 -19.302 -8.580 337 H VAL 51 H VAL 51 9.350 -15.202 -7.925 338 HA VAL 51 HA VAL 51 11.578 -16.414 -9.387 339 HB VAL 51 HB VAL 51 10.470 -14.749 -10.637 340 1HG1 VAL 51 1HG1 VAL 51 9.256 -13.607 -9.015 341 2HG1 VAL 51 2HG1 VAL 51 10.264 -12.413 -9.839 342 3HG1 VAL 51 3HG1 VAL 51 10.724 -13.006 -8.239 343 1HG2 VAL 51 1HG2 VAL 51 12.182 -13.056 -11.063 344 2HG2 VAL 51 2HG2 VAL 51 12.875 -14.671 -10.906 345 3HG2 VAL 51 3HG2 VAL 51 12.997 -13.525 -9.570 346 H GLY 52 H GLY 52 10.895 -15.520 -6.343 347 1HA GLY 52 1HA GLY 52 12.380 -15.944 -4.586 348 2HA GLY 52 2HA GLY 52 13.723 -15.686 -5.687 349 H ASN 53 H ASN 53 11.541 -13.175 -6.067 350 HA ASN 53 HA ASN 53 13.236 -11.577 -4.296 351 1HB ASN 53 1HB ASN 53 12.393 -9.612 -5.712 352 2HB ASN 53 2HB ASN 53 13.603 -10.682 -6.388 353 1HD2 ASN 53 1HD2 ASN 53 10.115 -11.332 -6.180 354 2HD2 ASN 53 2HD2 ASN 53 9.875 -11.337 -7.897 355 H VAL 54 H VAL 54 12.215 -9.531 -3.630 356 HA VAL 54 HA VAL 54 9.678 -10.208 -2.261 357 HB VAL 54 HB VAL 54 11.627 -8.239 -1.127 358 1HG1 VAL 54 1HG1 VAL 54 10.635 -8.957 0.989 359 2HG1 VAL 54 2HG1 VAL 54 9.605 -10.086 0.109 360 3HG1 VAL 54 3HG1 VAL 54 9.426 -8.350 -0.143 361 1HG2 VAL 54 1HG2 VAL 54 12.681 -10.023 0.187 362 2HG2 VAL 54 2HG2 VAL 54 12.964 -10.232 -1.542 363 3HG2 VAL 54 3HG2 VAL 54 11.760 -11.224 -0.720 364 H LEU 55 H LEU 55 8.020 -8.636 -2.201 365 HA LEU 55 HA LEU 55 8.292 -6.682 -4.311 366 1HB LEU 55 1HB LEU 55 5.919 -7.664 -2.719 367 2HB LEU 55 2HB LEU 55 5.832 -6.560 -4.083 368 HG LEU 55 HG LEU 55 7.144 -9.180 -4.474 369 1HD1 LEU 55 1HD1 LEU 55 5.131 -10.326 -4.947 370 2HD1 LEU 55 2HD1 LEU 55 4.173 -8.880 -4.597 371 3HD1 LEU 55 3HD1 LEU 55 5.043 -9.700 -3.298 372 1HD2 LEU 55 1HD2 LEU 55 5.488 -7.379 -6.184 373 2HD2 LEU 55 2HD2 LEU 55 6.158 -8.928 -6.705 374 3HD2 LEU 55 3HD2 LEU 55 7.235 -7.605 -6.253 375 H GLN 56 H GLN 56 7.025 -4.660 -4.004 376 HA GLN 56 HA GLN 56 7.298 -3.532 -1.299 377 1HB GLN 56 1HB GLN 56 8.908 -2.476 -2.776 378 2HB GLN 56 2HB GLN 56 7.672 -2.210 -3.996 379 1HG GLN 56 1HG GLN 56 6.519 -0.824 -2.110 380 2HG GLN 56 2HG GLN 56 8.147 -0.773 -1.431 381 1HE2 GLN 56 1HE2 GLN 56 7.538 -0.932 -4.843 382 2HE2 GLN 56 2HE2 GLN 56 8.054 0.678 -5.225 383 H ASP 57 H ASP 57 5.471 -2.379 -0.541 384 HA ASP 57 HA ASP 57 2.989 -2.966 -1.712 385 1HB ASP 57 1HB ASP 57 3.611 -2.408 0.745 386 2HB ASP 57 2HB ASP 57 3.455 -0.727 0.242 387 H GLY 58 H GLY 58 2.482 -2.167 -3.638 388 1HA GLY 58 1HA GLY 58 1.472 -0.212 -4.713 389 2HA GLY 58 2HA GLY 58 2.806 0.735 -4.063 390 H ASP 59 H ASP 59 4.146 -2.105 -4.873 391 HA ASP 59 HA ASP 59 5.315 -1.059 -7.286 392 1HB ASP 59 1HB ASP 59 6.274 -2.699 -5.376 393 2HB ASP 59 2HB ASP 59 5.731 -3.902 -6.536 394 H THR 60 H THR 60 5.596 -2.732 -9.128 395 HA THR 60 HA THR 60 2.913 -3.657 -9.872 396 HB THR 60 HB THR 60 5.316 -3.203 -11.659 397 HG1 THR 60 HG1 THR 60 4.458 -1.262 -10.625 398 1HG2 THR 60 1HG2 THR 60 3.666 -3.228 -13.474 399 2HG2 THR 60 2HG2 THR 60 2.388 -3.568 -12.307 400 3HG2 THR 60 3HG2 THR 60 3.665 -4.752 -12.585 401 H ILE 61 H ILE 61 2.590 -5.791 -10.415 402 HA ILE 61 HA ILE 61 4.926 -7.559 -10.114 403 HB ILE 61 HB ILE 61 3.544 -9.259 -9.133 404 1HG1 ILE 61 1HG1 ILE 61 1.099 -8.409 -8.491 405 2HG1 ILE 61 2HG1 ILE 61 1.301 -7.479 -9.971 406 1HG2 ILE 61 1HG2 ILE 61 4.431 -7.560 -7.635 407 2HG2 ILE 61 2HG2 ILE 61 2.900 -8.201 -7.043 408 3HG2 ILE 61 3HG2 ILE 61 2.956 -6.615 -7.817 409 1HD1 ILE 61 1HD1 ILE 61 1.748 -9.554 -11.188 410 2HD1 ILE 61 2HD1 ILE 61 0.160 -9.558 -10.419 411 3HD1 ILE 61 3HD1 ILE 61 1.491 -10.469 -9.702 412 H THR 62 H THR 62 4.712 -9.629 -11.343 413 HA THR 62 HA THR 62 2.706 -9.616 -13.441 414 HB THR 62 HB THR 62 5.672 -9.432 -13.799 415 HG1 THR 62 HG1 THR 62 3.673 -7.821 -14.195 416 1HG2 THR 62 1HG2 THR 62 5.424 -10.182 -16.136 417 2HG2 THR 62 2HG2 THR 62 3.766 -10.671 -15.781 418 3HG2 THR 62 3HG2 THR 62 5.117 -11.472 -14.973 419 H VAL 63 H VAL 63 1.787 -11.534 -13.341 420 HA VAL 63 HA VAL 63 2.788 -13.782 -11.982 421 HB VAL 63 HB VAL 63 0.334 -13.125 -12.842 422 1HG1 VAL 63 1HG1 VAL 63 1.338 -15.012 -14.943 423 2HG1 VAL 63 2HG1 VAL 63 0.740 -13.368 -15.178 424 3HG1 VAL 63 3HG1 VAL 63 -0.363 -14.641 -14.651 425 1HG2 VAL 63 1HG2 VAL 63 1.278 -15.972 -12.553 426 2HG2 VAL 63 2HG2 VAL 63 -0.384 -15.407 -12.374 427 3HG2 VAL 63 3HG2 VAL 63 0.852 -14.888 -11.226 428 H ILE 64 H ILE 64 4.313 -15.194 -12.607 429 HA ILE 64 HA ILE 64 5.072 -15.218 -15.393 430 HB ILE 64 HB ILE 64 7.131 -16.245 -14.736 431 1HG1 ILE 64 1HG1 ILE 64 5.945 -17.602 -12.847 432 2HG1 ILE 64 2HG1 ILE 64 7.635 -17.176 -12.679 433 1HG2 ILE 64 1HG2 ILE 64 7.000 -13.852 -14.469 434 2HG2 ILE 64 2HG2 ILE 64 8.012 -14.540 -13.194 435 3HG2 ILE 64 3HG2 ILE 64 6.358 -14.043 -12.835 436 1HD1 ILE 64 1HD1 ILE 64 5.272 -15.873 -11.355 437 2HD1 ILE 64 2HD1 ILE 64 6.929 -15.268 -11.259 438 3HD1 ILE 64 3HD1 ILE 64 6.526 -16.852 -10.601 439 H LYS 65 H LYS 65 2.631 -16.814 -14.208 440 HA LYS 65 HA LYS 65 3.334 -19.216 -15.680 441 1HB LYS 65 1HB LYS 65 2.053 -19.109 -12.949 442 2HB LYS 65 2HB LYS 65 1.698 -20.422 -14.053 443 1HG LYS 65 1HG LYS 65 3.336 -21.346 -12.756 444 2HG LYS 65 2HG LYS 65 4.290 -20.709 -14.096 445 1HD LYS 65 1HD LYS 65 5.039 -18.899 -12.842 446 2HD LYS 65 2HD LYS 65 3.794 -19.097 -11.618 447 1HE LYS 65 1HE LYS 65 5.970 -19.809 -10.777 448 2HE LYS 65 2HE LYS 65 4.855 -21.171 -10.876 449 1HZ LYS 65 1HZ LYS 65 6.868 -20.546 -12.969 450 2HZ LYS 65 2HZ LYS 65 5.932 -21.955 -12.821 451 3HZ LYS 65 3HZ LYS 65 7.149 -21.623 -11.687 452 H ASP 66 H ASP 66 1.404 -20.207 -16.607 453 HA ASP 66 HA ASP 66 -0.798 -18.385 -16.958 454 1HB ASP 66 1HB ASP 66 -1.760 -20.036 -18.483 455 2HB ASP 66 2HB ASP 66 -0.076 -19.720 -18.872 456 H LEU 67 H LEU 67 -2.256 -18.103 -15.542 457 HA LEU 67 HA LEU 67 -3.518 -20.412 -14.201 458 1HB LEU 67 1HB LEU 67 -3.468 -17.622 -13.066 459 2HB LEU 67 2HB LEU 67 -3.910 -19.107 -12.254 460 HG LEU 67 HG LEU 67 -1.130 -18.214 -13.010 461 1HD1 LEU 67 1HD1 LEU 67 -2.486 -18.637 -10.347 462 2HD1 LEU 67 2HD1 LEU 67 -2.041 -17.088 -11.063 463 3HD1 LEU 67 3HD1 LEU 67 -0.786 -18.226 -10.575 464 1HD2 LEU 67 1HD2 LEU 67 -0.382 -20.258 -11.842 465 2HD2 LEU 67 2HD2 LEU 67 -1.266 -20.593 -13.333 466 3HD2 LEU 67 3HD2 LEU 67 -2.062 -20.797 -11.768 467 H LYS 68 H LYS 68 -5.808 -20.367 -14.244 468 HA LYS 68 HA LYS 68 -6.995 -18.145 -15.708 469 1HB LYS 68 1HB LYS 68 -8.976 -19.453 -15.951 470 2HB LYS 68 2HB LYS 68 -7.602 -20.479 -16.326 471 1HG LYS 68 1HG LYS 68 -8.052 -21.897 -14.656 472 2HG LYS 68 2HG LYS 68 -8.474 -20.600 -13.533 473 1HD LYS 68 1HD LYS 68 -10.392 -22.073 -14.093 474 2HD LYS 68 2HD LYS 68 -10.659 -20.382 -14.522 475 1HE LYS 68 1HE LYS 68 -9.813 -21.044 -16.853 476 2HE LYS 68 2HE LYS 68 -10.062 -22.709 -16.326 477 1HZ LYS 68 1HZ LYS 68 -12.386 -22.172 -15.883 478 2HZ LYS 68 2HZ LYS 68 -11.989 -21.873 -17.503 479 3HZ LYS 68 3HZ LYS 68 -12.134 -20.581 -16.416 480 H VAL 69 H VAL 69 -9.431 -17.725 -14.813 481 HA VAL 69 HA VAL 69 -9.173 -17.086 -11.953 482 HB VAL 69 HB VAL 69 -10.366 -15.242 -14.051 483 1HG1 VAL 69 1HG1 VAL 69 -10.586 -13.633 -12.252 484 2HG1 VAL 69 2HG1 VAL 69 -9.923 -14.798 -11.103 485 3HG1 VAL 69 3HG1 VAL 69 -11.476 -15.109 -11.880 486 1HG2 VAL 69 1HG2 VAL 69 -8.516 -13.722 -13.548 487 2HG2 VAL 69 2HG2 VAL 69 -7.955 -15.241 -14.243 488 3HG2 VAL 69 3HG2 VAL 69 -7.791 -14.952 -12.508 489 H LYS 70 H LYS 70 -11.029 -17.669 -10.820 490 HA LYS 70 HA LYS 70 -12.954 -19.179 -12.342 491 1HB LYS 70 1HB LYS 70 -13.852 -19.790 -10.111 492 2HB LYS 70 2HB LYS 70 -12.149 -20.161 -10.320 493 1HG LYS 70 1HG LYS 70 -11.562 -18.155 -9.046 494 2HG LYS 70 2HG LYS 70 -13.278 -17.803 -8.827 495 1HD LYS 70 1HD LYS 70 -13.559 -19.922 -7.639 496 2HD LYS 70 2HD LYS 70 -11.844 -20.277 -7.864 497 1HE LYS 70 1HE LYS 70 -11.275 -18.271 -6.568 498 2HE LYS 70 2HE LYS 70 -12.992 -17.944 -6.333 499 1HZ LYS 70 1HZ LYS 70 -11.592 -20.395 -5.407 500 2HZ LYS 70 2HZ LYS 70 -13.211 -19.988 -5.110 501 3HZ LYS 70 3HZ LYS 70 -11.963 -19.064 -4.426 502 H GLY 71 H GLY 71 -12.979 -16.205 -10.430 503 1HA GLY 71 1HA GLY 71 -15.850 -15.971 -10.556 504 2HA GLY 71 2HA GLY 71 -14.733 -14.774 -9.916 505 H SER 72 H SER 72 -13.180 -14.936 -12.459 506 HA SER 72 HA SER 72 -14.970 -13.216 -14.036 507 1HB SER 72 1HB SER 72 -11.976 -13.077 -13.656 508 2HB SER 72 2HB SER 72 -12.878 -12.071 -14.786 509 HG SER 72 HG SER 72 -14.039 -11.231 -13.014 510 H SER 73 H SER 73 -14.259 -12.988 -16.362 511 HA SER 73 HA SER 73 -13.778 -15.635 -17.492 512 1HB SER 73 1HB SER 73 -15.630 -14.275 -18.399 513 2HB SER 73 2HB SER 73 -14.488 -13.005 -18.832 514 HG SER 73 HG SER 73 -13.438 -14.640 -20.166 515 H LEU 74 H LEU 74 -11.915 -13.291 -16.320 516 HA LEU 74 HA LEU 74 -10.032 -12.950 -18.461 517 1HB LEU 74 1HB LEU 74 -10.262 -12.040 -15.644 518 2HB LEU 74 2HB LEU 74 -8.670 -12.057 -16.363 519 HG LEU 74 HG LEU 74 -9.477 -10.567 -18.159 520 1HD1 LEU 74 1HD1 LEU 74 -11.825 -11.230 -18.146 521 2HD1 LEU 74 2HD1 LEU 74 -11.643 -9.484 -17.968 522 3HD1 LEU 74 3HD1 LEU 74 -12.031 -10.477 -16.562 523 1HD2 LEU 74 1HD2 LEU 74 -9.666 -8.556 -16.794 524 2HD2 LEU 74 2HD2 LEU 74 -8.417 -9.638 -16.176 525 3HD2 LEU 74 3HD2 LEU 74 -9.983 -9.548 -15.370 526 H VAL 75 H VAL 75 -8.296 -14.127 -18.825 527 HA VAL 75 HA VAL 75 -7.499 -16.208 -16.960 528 HB VAL 75 HB VAL 75 -6.565 -15.721 -19.800 529 1HG1 VAL 75 1HG1 VAL 75 -6.117 -18.067 -17.959 530 2HG1 VAL 75 2HG1 VAL 75 -4.900 -16.903 -18.484 531 3HG1 VAL 75 3HG1 VAL 75 -5.644 -17.990 -19.657 532 1HG2 VAL 75 1HG2 VAL 75 -8.550 -17.723 -18.725 533 2HG2 VAL 75 2HG2 VAL 75 -7.962 -17.649 -20.386 534 3HG2 VAL 75 3HG2 VAL 75 -8.924 -16.323 -19.732 535 H VAL 76 H VAL 76 -5.647 -16.138 -15.865 536 HA VAL 76 HA VAL 76 -4.047 -13.713 -15.961 537 HB VAL 76 HB VAL 76 -4.132 -16.045 -14.034 538 1HG1 VAL 76 1HG1 VAL 76 -1.845 -15.275 -14.174 539 2HG1 VAL 76 2HG1 VAL 76 -2.566 -14.804 -12.635 540 3HG1 VAL 76 3HG1 VAL 76 -2.369 -13.610 -13.920 541 1HG2 VAL 76 1HG2 VAL 76 -6.001 -14.520 -13.847 542 2HG2 VAL 76 2HG2 VAL 76 -4.900 -13.147 -13.744 543 3HG2 VAL 76 3HG2 VAL 76 -4.935 -14.348 -12.453 544 H LYS 77 H LYS 77 -2.593 -13.774 -17.534 545 HA LYS 77 HA LYS 77 -1.238 -16.329 -18.080 546 1HB LYS 77 1HB LYS 77 -0.687 -15.322 -20.338 547 2HB LYS 77 2HB LYS 77 -2.360 -15.754 -20.040 548 1HG LYS 77 1HG LYS 77 -2.455 -13.711 -21.147 549 2HG LYS 77 2HG LYS 77 -2.718 -13.306 -19.452 550 1HD LYS 77 1HD LYS 77 -0.557 -12.417 -19.219 551 2HD LYS 77 2HD LYS 77 0.005 -13.180 -20.708 552 1HE LYS 77 1HE LYS 77 -0.331 -10.793 -21.039 553 2HE LYS 77 2HE LYS 77 -1.469 -11.724 -22.009 554 1HZ LYS 77 1HZ LYS 77 -2.737 -10.035 -21.073 555 2HZ LYS 77 2HZ LYS 77 -1.991 -10.157 -19.557 556 3HZ LYS 77 3HZ LYS 77 -3.067 -11.364 -20.074 557 H VAL 78 H VAL 78 0.937 -16.410 -18.536 558 HA VAL 78 HA VAL 78 2.606 -15.080 -16.756 559 HB VAL 78 HB VAL 78 3.397 -17.115 -17.677 560 1HG1 VAL 78 1HG1 VAL 78 3.318 -15.818 -20.398 561 2HG1 VAL 78 2HG1 VAL 78 2.241 -17.086 -19.810 562 3HG1 VAL 78 3HG1 VAL 78 3.956 -17.424 -20.047 563 1HG2 VAL 78 1HG2 VAL 78 5.164 -15.544 -17.135 564 2HG2 VAL 78 2HG2 VAL 78 5.103 -14.883 -18.767 565 3HG2 VAL 78 3HG2 VAL 78 5.632 -16.545 -18.509 566 H GLY 79 H GLY 79 2.415 -12.903 -16.744 567 1HA GLY 79 1HA GLY 79 3.878 -11.021 -17.723 568 2HA GLY 79 2HA GLY 79 3.006 -11.398 -19.205 569 H THR 80 H THR 80 0.954 -12.024 -16.813 570 HA THR 80 HA THR 80 -0.754 -9.825 -17.221 571 HB THR 80 HB THR 80 -0.740 -11.857 -14.992 572 HG1 THR 80 HG1 THR 80 -2.639 -11.423 -17.075 573 1HG2 THR 80 1HG2 THR 80 -2.779 -9.684 -15.514 574 2HG2 THR 80 2HG2 THR 80 -1.729 -9.808 -14.103 575 3HG2 THR 80 3HG2 THR 80 -2.979 -11.022 -14.381 576 H LYS 81 H LYS 81 -0.216 -7.878 -16.822 577 HA LYS 81 HA LYS 81 1.605 -7.263 -14.637 578 1HB LYS 81 1HB LYS 81 2.147 -6.308 -16.793 579 2HB LYS 81 2HB LYS 81 0.569 -5.537 -16.893 580 1HG LYS 81 1HG LYS 81 1.149 -4.156 -14.937 581 2HG LYS 81 2HG LYS 81 2.750 -4.898 -14.917 582 1HD LYS 81 1HD LYS 81 2.764 -2.717 -16.032 583 2HD LYS 81 2HD LYS 81 3.204 -4.021 -17.136 584 1HE LYS 81 1HE LYS 81 0.867 -4.045 -17.957 585 2HE LYS 81 2HE LYS 81 0.523 -2.659 -16.925 586 1HZ LYS 81 1HZ LYS 81 2.024 -1.325 -18.162 587 2HZ LYS 81 2HZ LYS 81 1.029 -2.116 -19.284 588 3HZ LYS 81 3HZ LYS 81 2.616 -2.656 -19.026 589 H VAL 82 H VAL 82 0.795 -6.838 -12.719 590 HA VAL 82 HA VAL 82 -1.528 -5.037 -12.596 591 HB VAL 82 HB VAL 82 -0.889 -7.122 -10.506 592 1HG1 VAL 82 1HG1 VAL 82 -3.333 -6.569 -9.932 593 2HG1 VAL 82 2HG1 VAL 82 -3.080 -5.117 -10.899 594 3HG1 VAL 82 3HG1 VAL 82 -2.080 -5.415 -9.475 595 1HG2 VAL 82 1HG2 VAL 82 -2.823 -8.367 -11.352 596 2HG2 VAL 82 2HG2 VAL 82 -1.553 -8.239 -12.569 597 3HG2 VAL 82 3HG2 VAL 82 -2.985 -7.214 -12.678 598 H LYS 83 H LYS 83 -1.027 -3.175 -11.797 599 HA LYS 83 HA LYS 83 1.495 -2.836 -10.386 600 1HB LYS 83 1HB LYS 83 1.262 -0.448 -11.019 601 2HB LYS 83 2HB LYS 83 1.296 -1.533 -12.402 602 1HG LYS 83 1HG LYS 83 -1.181 -1.401 -12.500 603 2HG LYS 83 2HG LYS 83 -1.124 -0.203 -11.205 604 1HD LYS 83 1HD LYS 83 0.320 0.100 -13.832 605 2HD LYS 83 2HD LYS 83 -1.289 0.747 -13.517 606 1HE LYS 83 1HE LYS 83 1.031 1.403 -11.738 607 2HE LYS 83 2HE LYS 83 0.739 2.300 -13.227 608 1HZ LYS 83 1HZ LYS 83 -1.369 2.997 -12.438 609 2HZ LYS 83 2HZ LYS 83 -0.255 3.302 -11.196 610 3HZ LYS 83 3HZ LYS 83 -1.300 1.969 -11.093 611 H ASN 84 H ASN 84 1.691 -1.522 -8.583 612 HA ASN 84 HA ASN 84 1.151 -0.528 -6.632 613 1HB ASN 84 1HB ASN 84 -1.272 0.084 -8.271 614 2HB ASN 84 2HB ASN 84 -1.298 0.435 -6.544 615 1HD2 ASN 84 1HD2 ASN 84 0.268 1.129 -9.577 616 2HD2 ASN 84 2HD2 ASN 84 0.971 2.632 -9.096 617 H ILE 85 H ILE 85 1.046 -3.328 -6.540 618 HA ILE 85 HA ILE 85 -1.291 -4.339 -5.441 619 HB ILE 85 HB ILE 85 0.172 -6.103 -4.576 620 1HG1 ILE 85 1HG1 ILE 85 2.513 -4.503 -5.632 621 2HG1 ILE 85 2HG1 ILE 85 2.037 -4.457 -3.940 622 1HG2 ILE 85 1HG2 ILE 85 -0.487 -6.150 -6.919 623 2HG2 ILE 85 2HG2 ILE 85 1.140 -6.804 -6.721 624 3HG2 ILE 85 3HG2 ILE 85 0.916 -5.170 -7.348 625 1HD1 ILE 85 1HD1 ILE 85 3.889 -5.993 -4.252 626 2HD1 ILE 85 2HD1 ILE 85 2.974 -6.887 -5.466 627 3HD1 ILE 85 3HD1 ILE 85 2.436 -6.884 -3.788 628 H ARG 86 H ARG 86 -1.177 -5.318 -3.212 629 HA ARG 86 HA ARG 86 -0.170 -3.453 -1.169 630 1HB ARG 86 1HB ARG 86 -2.544 -3.028 -1.317 631 2HB ARG 86 2HB ARG 86 -2.904 -4.741 -1.359 632 1HG ARG 86 1HG ARG 86 -3.483 -3.977 0.793 633 2HG ARG 86 2HG ARG 86 -1.984 -4.888 0.973 634 1HD ARG 86 1HD ARG 86 -0.731 -2.767 0.945 635 2HD ARG 86 2HD ARG 86 -2.257 -1.890 0.849 636 HE ARG 86 HE ARG 86 -1.858 -3.700 3.105 637 1HH1 ARG 86 1HH1 ARG 86 -1.895 -0.408 1.904 638 2HH1 ARG 86 2HH1 ARG 86 -2.100 0.296 3.484 639 1HH2 ARG 86 1HH2 ARG 86 -2.079 -2.790 5.173 640 2HH2 ARG 86 2HH2 ARG 86 -2.201 -1.063 5.354 641 H LEU 87 H LEU 87 1.110 -4.559 0.308 642 HA LEU 87 HA LEU 87 1.190 -7.436 0.085 643 1HB LEU 87 1HB LEU 87 2.722 -5.605 1.937 644 2HB LEU 87 2HB LEU 87 3.125 -7.259 1.516 645 HG LEU 87 HG LEU 87 3.149 -4.956 -0.439 646 1HD1 LEU 87 1HD1 LEU 87 4.855 -4.661 1.282 647 2HD1 LEU 87 2HD1 LEU 87 5.577 -5.059 -0.277 648 3HD1 LEU 87 3HD1 LEU 87 5.447 -6.294 0.977 649 1HD2 LEU 87 1HD2 LEU 87 4.193 -7.776 -0.659 650 2HD2 LEU 87 2HD2 LEU 87 4.374 -6.506 -1.871 651 3HD2 LEU 87 3HD2 LEU 87 2.771 -7.129 -1.479 652 H VAL 88 H VAL 88 -0.024 -8.704 1.339 653 HA VAL 88 HA VAL 88 -1.365 -7.424 3.604 654 HB VAL 88 HB VAL 88 -2.560 -9.937 3.145 655 1HG1 VAL 88 1HG1 VAL 88 -4.503 -8.540 2.549 656 2HG1 VAL 88 2HG1 VAL 88 -3.440 -7.133 2.448 657 3HG1 VAL 88 3HG1 VAL 88 -3.677 -7.954 3.992 658 1HG2 VAL 88 1HG2 VAL 88 -1.548 -9.992 0.928 659 2HG2 VAL 88 2HG2 VAL 88 -2.180 -8.377 0.587 660 3HG2 VAL 88 3HG2 VAL 88 -3.290 -9.731 0.807 661 H ASP 89 H ASP 89 -2.082 -9.419 5.221 662 HA ASP 89 HA ASP 89 0.498 -9.882 6.442 663 1HB ASP 89 1HB ASP 89 -1.260 -8.975 7.771 664 2HB ASP 89 2HB ASP 89 -2.278 -10.358 7.428 665 H GLY 90 H GLY 90 1.374 -11.444 5.276 666 1HA GLY 90 1HA GLY 90 1.411 -13.965 6.292 667 2HA GLY 90 2HA GLY 90 0.245 -14.046 4.973 668 H ASP 91 H ASP 91 2.180 -15.622 4.362 669 HA ASP 91 HA ASP 91 4.154 -14.073 2.834 670 1HB ASP 91 1HB ASP 91 4.993 -15.882 4.325 671 2HB ASP 91 2HB ASP 91 4.103 -17.052 3.357 672 H HIS 92 H HIS 92 1.318 -15.899 2.519 673 HA HIS 92 HA HIS 92 1.660 -16.228 -0.386 674 1HB HIS 92 1HB HIS 92 -0.240 -17.836 -0.227 675 2HB HIS 92 2HB HIS 92 1.156 -18.330 0.721 676 HD1 HIS 92 HD1 HIS 92 0.876 -18.476 3.259 677 HD2 HIS 92 HD2 HIS 92 -2.529 -17.115 1.291 678 HE1 HIS 92 HE1 HIS 92 -0.975 -18.552 4.964 679 HE2 HIS 92 HE2 HIS 92 -2.978 -17.569 3.798 680 H ASP 93 H ASP 93 1.189 -13.684 -0.002 681 HA ASP 93 HA ASP 93 -1.667 -13.267 0.055 682 1HB ASP 93 1HB ASP 93 0.139 -12.333 2.246 683 2HB ASP 93 2HB ASP 93 -1.393 -11.537 1.916 684 H ILE 94 H ILE 94 -1.439 -12.377 -2.039 685 HA ILE 94 HA ILE 94 -0.299 -9.657 -1.891 686 HB ILE 94 HB ILE 94 -0.528 -11.359 -4.365 687 1HG1 ILE 94 1HG1 ILE 94 1.949 -10.628 -2.796 688 2HG1 ILE 94 2HG1 ILE 94 1.102 -12.160 -2.612 689 1HG2 ILE 94 1HG2 ILE 94 -0.631 -8.957 -4.802 690 2HG2 ILE 94 2HG2 ILE 94 0.888 -9.637 -5.386 691 3HG2 ILE 94 3HG2 ILE 94 0.854 -8.719 -3.881 692 1HD1 ILE 94 1HD1 ILE 94 1.532 -12.669 -4.944 693 2HD1 ILE 94 2HD1 ILE 94 3.019 -12.394 -4.036 694 3HD1 ILE 94 3HD1 ILE 94 2.398 -11.141 -5.113 695 H ASP 95 H ASP 95 -1.798 -8.229 -1.768 696 HA ASP 95 HA ASP 95 -4.346 -8.699 -3.051 697 1HB ASP 95 1HB ASP 95 -4.330 -7.816 -0.787 698 2HB ASP 95 2HB ASP 95 -3.344 -6.451 -1.290 699 H CYS 96 H CYS 96 -4.966 -7.804 -4.889 700 HA CYS 96 HA CYS 96 -3.293 -5.684 -6.023 701 1HB CYS 96 1HB CYS 96 -3.409 -6.808 -8.223 702 2HB CYS 96 2HB CYS 96 -2.520 -7.744 -7.032 703 HG CYS 96 HG CYS 96 -5.117 -9.172 -6.522 704 H LYS 97 H LYS 97 -4.366 -4.151 -7.132 705 HA LYS 97 HA LYS 97 -7.294 -4.366 -7.104 706 1HB LYS 97 1HB LYS 97 -5.519 -1.916 -7.005 707 2HB LYS 97 2HB LYS 97 -7.279 -1.888 -7.023 708 1HG LYS 97 1HG LYS 97 -7.379 -2.998 -4.899 709 2HG LYS 97 2HG LYS 97 -5.632 -3.243 -4.899 710 1HD LYS 97 1HD LYS 97 -5.292 -0.825 -4.807 711 2HD LYS 97 2HD LYS 97 -7.041 -0.577 -4.818 712 1HE LYS 97 1HE LYS 97 -6.108 -0.423 -2.553 713 2HE LYS 97 2HE LYS 97 -7.249 -1.757 -2.707 714 1HZ LYS 97 1HZ LYS 97 -5.272 -2.395 -1.463 715 2HZ LYS 97 2HZ LYS 97 -4.286 -2.013 -2.791 716 3HZ LYS 97 3HZ LYS 97 -5.398 -3.290 -2.894 717 H ILE 98 H ILE 98 -8.282 -4.470 -9.014 718 HA ILE 98 HA ILE 98 -6.643 -3.877 -11.392 719 HB ILE 98 HB ILE 98 -8.668 -6.102 -11.110 720 1HG1 ILE 98 1HG1 ILE 98 -5.689 -6.439 -11.391 721 2HG1 ILE 98 2HG1 ILE 98 -6.434 -6.254 -9.807 722 1HG2 ILE 98 1HG2 ILE 98 -7.800 -6.842 -13.274 723 2HG2 ILE 98 2HG2 ILE 98 -6.718 -5.450 -13.321 724 3HG2 ILE 98 3HG2 ILE 98 -8.464 -5.211 -13.381 725 1HD1 ILE 98 1HD1 ILE 98 -7.801 -8.221 -10.219 726 2HD1 ILE 98 2HD1 ILE 98 -6.080 -8.585 -10.344 727 3HD1 ILE 98 3HD1 ILE 98 -7.055 -8.411 -11.805 728 H ASP 99 H ASP 99 -7.452 -2.121 -12.268 729 HA ASP 99 HA ASP 99 -10.080 -1.175 -11.919 730 1HB ASP 99 1HB ASP 99 -7.999 -0.466 -13.998 731 2HB ASP 99 2HB ASP 99 -9.486 0.437 -13.723 732 H GLY 100 H GLY 100 -11.789 -2.251 -12.636 733 1HA GLY 100 1HA GLY 100 -12.879 -2.430 -14.989 734 2HA GLY 100 2HA GLY 100 -11.627 -3.641 -15.212 735 H ILE 101 H ILE 101 -11.629 -4.863 -12.752 736 HA ILE 101 HA ILE 101 -14.358 -5.957 -12.612 737 HB ILE 101 HB ILE 101 -13.290 -8.146 -11.960 738 1HG1 ILE 101 1HG1 ILE 101 -10.808 -6.805 -13.064 739 2HG1 ILE 101 2HG1 ILE 101 -11.053 -7.303 -11.394 740 1HG2 ILE 101 1HG2 ILE 101 -14.263 -7.792 -14.150 741 2HG2 ILE 101 2HG2 ILE 101 -12.820 -8.797 -14.276 742 3HG2 ILE 101 3HG2 ILE 101 -12.752 -7.095 -14.733 743 1HD1 ILE 101 1HD1 ILE 101 -11.156 -9.638 -12.107 744 2HD1 ILE 101 2HD1 ILE 101 -9.640 -8.877 -12.592 745 3HD1 ILE 101 3HD1 ILE 101 -10.917 -9.136 -13.782 746 H GLY 102 H GLY 102 -11.376 -5.286 -10.842 747 1HA GLY 102 1HA GLY 102 -12.102 -3.958 -8.731 748 2HA GLY 102 2HA GLY 102 -12.864 -5.489 -8.316 749 H ALA 103 H ALA 103 -11.518 -5.682 -6.452 750 HA ALA 103 HA ALA 103 -8.656 -5.937 -6.914 751 1HB ALA 103 1HB ALA 103 -8.479 -6.149 -4.494 752 2HB ALA 103 2HB ALA 103 -10.237 -6.182 -4.356 753 3HB ALA 103 3HB ALA 103 -9.424 -4.725 -4.929 754 H MET 104 H MET 104 -7.495 -7.823 -6.348 755 HA MET 104 HA MET 104 -9.018 -10.302 -6.079 756 1HB MET 104 1HB MET 104 -8.746 -9.911 -8.521 757 2HB MET 104 2HB MET 104 -7.004 -9.836 -8.300 758 1HG MET 104 1HG MET 104 -6.959 -12.147 -7.603 759 2HG MET 104 2HG MET 104 -8.713 -12.238 -7.703 760 1HE MET 104 1HE MET 104 -5.367 -11.854 -9.719 761 2HE MET 104 2HE MET 104 -6.266 -10.413 -10.195 762 3HE MET 104 3HE MET 104 -5.961 -11.690 -11.372 763 H LYS 105 H LYS 105 -7.509 -12.161 -5.624 764 HA LYS 105 HA LYS 105 -5.098 -11.181 -4.256 765 1HB LYS 105 1HB LYS 105 -5.397 -13.363 -2.860 766 2HB LYS 105 2HB LYS 105 -6.342 -11.937 -2.470 767 1HG LYS 105 1HG LYS 105 -7.842 -13.716 -2.341 768 2HG LYS 105 2HG LYS 105 -8.181 -12.956 -3.895 769 1HD LYS 105 1HD LYS 105 -6.942 -14.671 -5.052 770 2HD LYS 105 2HD LYS 105 -6.436 -15.387 -3.519 771 1HE LYS 105 1HE LYS 105 -8.818 -15.820 -2.991 772 2HE LYS 105 2HE LYS 105 -9.251 -15.206 -4.587 773 1HZ LYS 105 1HZ LYS 105 -9.062 -17.675 -4.399 774 2HZ LYS 105 2HZ LYS 105 -7.390 -17.477 -4.176 775 3HZ LYS 105 3HZ LYS 105 -8.122 -16.979 -5.628 776 H LEU 106 H LEU 106 -3.227 -12.491 -4.308 777 HA LEU 106 HA LEU 106 -3.149 -14.294 -6.632 778 1HB LEU 106 1HB LEU 106 -1.222 -12.063 -5.996 779 2HB LEU 106 2HB LEU 106 -1.008 -13.242 -7.275 780 HG LEU 106 HG LEU 106 -3.303 -11.287 -7.138 781 1HD1 LEU 106 1HD1 LEU 106 -0.770 -11.203 -8.769 782 2HD1 LEU 106 2HD1 LEU 106 -1.179 -10.130 -7.429 783 3HD1 LEU 106 3HD1 LEU 106 -2.131 -10.091 -8.916 784 1HD2 LEU 106 1HD2 LEU 106 -3.673 -11.947 -9.456 785 2HD2 LEU 106 2HD2 LEU 106 -3.801 -13.336 -8.376 786 3HD2 LEU 106 3HD2 LEU 106 -2.347 -13.106 -9.349 787 H LYS 107 H LYS 107 -1.797 -15.922 -6.540 788 HA LYS 107 HA LYS 107 -0.596 -16.632 -4.031 789 1HB LYS 107 1HB LYS 107 -1.203 -18.059 -6.519 790 2HB LYS 107 2HB LYS 107 0.295 -18.565 -5.745 791 1HG LYS 107 1HG LYS 107 -1.073 -18.778 -3.608 792 2HG LYS 107 2HG LYS 107 -2.494 -18.645 -4.646 793 1HD LYS 107 1HD LYS 107 -1.930 -20.627 -5.822 794 2HD LYS 107 2HD LYS 107 -0.316 -20.672 -5.109 795 1HE LYS 107 1HE LYS 107 -1.389 -20.991 -2.880 796 2HE LYS 107 2HE LYS 107 -2.944 -21.119 -3.701 797 1HZ LYS 107 1HZ LYS 107 -0.641 -22.890 -4.311 798 2HZ LYS 107 2HZ LYS 107 -2.255 -23.090 -4.786 799 3HZ LYS 107 3HZ LYS 107 -1.824 -23.276 -3.160 800 H SER 108 H SER 108 1.300 -16.115 -3.400 801 HA SER 108 HA SER 108 3.121 -14.541 -4.697 802 1HB SER 108 1HB SER 108 3.911 -16.605 -2.648 803 2HB SER 108 2HB SER 108 4.544 -14.970 -2.860 804 HG SER 108 HG SER 108 3.106 -15.049 -1.108 805 H GLU 109 H GLU 109 2.916 -18.055 -4.634 806 HA GLU 109 HA GLU 109 5.423 -18.552 -5.826 807 1HB GLU 109 1HB GLU 109 2.962 -20.293 -5.711 808 2HB GLU 109 2HB GLU 109 4.592 -20.838 -6.085 809 1HG GLU 109 1HG GLU 109 5.328 -20.209 -3.872 810 2HG GLU 109 2HG GLU 109 3.717 -19.615 -3.487 811 H PHE 110 H PHE 110 2.614 -17.281 -7.251 812 HA PHE 110 HA PHE 110 3.505 -18.357 -9.836 813 1HB PHE 110 1HB PHE 110 0.858 -17.348 -8.858 814 2HB PHE 110 2HB PHE 110 1.177 -17.589 -10.563 815 HD1 PHE 110 HD1 PHE 110 2.284 -19.982 -11.079 816 HD2 PHE 110 HD2 PHE 110 -0.175 -19.063 -7.736 817 HE1 PHE 110 HE1 PHE 110 1.720 -22.364 -10.845 818 HE2 PHE 110 HE2 PHE 110 -0.745 -21.442 -7.493 819 HZ PHE 110 HZ PHE 110 0.205 -23.099 -9.049 820 H VAL 111 H VAL 111 3.964 -15.629 -8.062 821 HA VAL 111 HA VAL 111 3.589 -13.862 -10.395 822 HB VAL 111 HB VAL 111 3.363 -11.985 -8.837 823 1HG1 VAL 111 1HG1 VAL 111 1.465 -14.268 -8.306 824 2HG1 VAL 111 2HG1 VAL 111 1.356 -13.102 -9.626 825 3HG1 VAL 111 3HG1 VAL 111 1.141 -12.568 -7.958 826 1HG2 VAL 111 1HG2 VAL 111 4.694 -12.873 -7.005 827 2HG2 VAL 111 2HG2 VAL 111 3.469 -14.105 -6.699 828 3HG2 VAL 111 3HG2 VAL 111 3.091 -12.402 -6.445 829 H ARG 112 H ARG 112 4.975 -11.822 -10.212 830 HA ARG 112 HA ARG 112 7.598 -12.221 -9.066 831 1HB ARG 112 1HB ARG 112 8.213 -13.283 -10.999 832 2HB ARG 112 2HB ARG 112 7.041 -12.418 -11.982 833 1HG ARG 112 1HG ARG 112 8.416 -10.555 -12.204 834 2HG ARG 112 2HG ARG 112 9.421 -11.013 -10.827 835 1HD ARG 112 1HD ARG 112 10.250 -12.938 -12.107 836 2HD ARG 112 2HD ARG 112 9.266 -12.434 -13.467 837 HE ARG 112 HE ARG 112 10.866 -10.272 -12.786 838 1HH1 ARG 112 1HH1 ARG 112 11.308 -13.546 -13.986 839 2HH1 ARG 112 2HH1 ARG 112 12.788 -13.168 -14.819 840 1HH2 ARG 112 1HH2 ARG 112 12.799 -9.784 -13.859 841 2HH2 ARG 112 2HH2 ARG 112 13.659 -11.032 -14.716 842 H LYS 113 H LYS 113 8.441 -10.371 -8.428 843 HA LYS 113 HA LYS 113 7.220 -7.874 -8.777 844 1HB LYS 113 1HB LYS 113 8.724 -8.465 -6.898 845 2HB LYS 113 2HB LYS 113 10.083 -8.472 -8.013 846 1HG LYS 113 1HG LYS 113 9.758 -6.107 -8.457 847 2HG LYS 113 2HG LYS 113 8.356 -6.088 -7.384 848 1HD LYS 113 1HD LYS 113 9.834 -6.813 -5.531 849 2HD LYS 113 2HD LYS 113 11.212 -6.669 -6.624 850 1HE LYS 113 1HE LYS 113 10.757 -4.306 -6.919 851 2HE LYS 113 2HE LYS 113 9.331 -4.436 -5.889 852 1HZ LYS 113 1HZ LYS 113 12.149 -4.876 -5.053 853 2HZ LYS 113 2HZ LYS 113 10.798 -5.113 -4.063 854 3HZ LYS 113 3HZ LYS 113 11.165 -3.558 -4.628 855 H VAL 114 H VAL 114 7.193 -6.613 -10.493 856 HA VAL 114 HA VAL 114 8.974 -6.880 -12.710 857 HB VAL 114 HB VAL 114 7.131 -4.571 -12.054 858 1HG1 VAL 114 1HG1 VAL 114 8.374 -5.420 -14.668 859 2HG1 VAL 114 2HG1 VAL 114 8.822 -4.003 -13.717 860 3HG1 VAL 114 3HG1 VAL 114 7.223 -4.102 -14.454 861 1HG2 VAL 114 1HG2 VAL 114 6.622 -7.030 -13.723 862 2HG2 VAL 114 2HG2 VAL 114 5.534 -5.650 -13.564 863 3HG2 VAL 114 3HG2 VAL 114 5.892 -6.657 -12.162 864 H GLY 115 H GLY 115 8.527 -4.392 -10.200 865 1HA GLY 115 1HA GLY 115 10.133 -3.109 -9.134 866 2HA GLY 115 2HA GLY 115 11.366 -3.903 -10.102 867 H SER 116 H SER 116 8.521 -2.180 -11.280 868 HA SER 116 HA SER 116 10.267 -0.027 -12.227 869 1HB SER 116 1HB SER 116 8.200 -1.436 -13.934 870 2HB SER 116 2HB SER 116 9.192 -0.062 -14.427 871 HG SER 116 HG SER 116 10.836 -1.892 -13.486 Start of MODEL 20 1 H MET 1 H MET 1 10.387 28.569 23.034 2 HA MET 1 HA MET 1 8.041 28.617 22.960 3 1HB MET 1 1HB MET 1 6.962 30.391 21.446 4 2HB MET 1 2HB MET 1 7.458 30.881 23.059 5 1HG MET 1 1HG MET 1 8.803 32.436 22.247 6 2HG MET 1 2HG MET 1 9.603 31.276 21.191 7 1HE MET 1 1HE MET 1 7.525 30.285 19.153 8 2HE MET 1 2HE MET 1 9.103 30.930 18.708 9 3HE MET 1 3HE MET 1 7.651 31.506 17.886 10 H VAL 2 H VAL 2 10.565 28.116 21.200 11 HA VAL 2 HA VAL 2 9.024 27.178 18.884 12 HB VAL 2 HB VAL 2 10.564 28.860 18.118 13 1HG1 VAL 2 1HG1 VAL 2 12.170 28.837 19.942 14 2HG1 VAL 2 2HG1 VAL 2 12.989 28.667 18.388 15 3HG1 VAL 2 3HG1 VAL 2 12.759 27.257 19.422 16 1HG2 VAL 2 1HG2 VAL 2 10.237 26.954 16.661 17 2HG2 VAL 2 2HG2 VAL 2 11.569 26.104 17.442 18 3HG2 VAL 2 3HG2 VAL 2 11.883 27.567 16.509 19 H SER 3 H SER 3 8.686 25.084 19.050 20 HA SER 3 HA SER 3 10.300 23.400 20.701 21 1HB SER 3 1HB SER 3 8.166 22.575 18.745 22 2HB SER 3 2HB SER 3 8.743 21.667 20.140 23 HG SER 3 HG SER 3 8.023 23.801 21.250 24 H THR 4 H THR 4 11.668 21.762 20.104 25 HA THR 4 HA THR 4 12.863 22.112 17.457 26 HB THR 4 HB THR 4 14.789 20.874 18.494 27 HG1 THR 4 HG1 THR 4 14.248 19.833 20.284 28 1HG2 THR 4 1HG2 THR 4 13.769 23.362 19.868 29 2HG2 THR 4 2HG2 THR 4 14.784 23.295 18.424 30 3HG2 THR 4 3HG2 THR 4 15.426 22.765 19.980 31 H LEU 5 H LEU 5 10.621 20.181 18.799 32 HA LEU 5 HA LEU 5 11.450 17.809 17.270 33 1HB LEU 5 1HB LEU 5 9.373 18.011 19.460 34 2HB LEU 5 2HB LEU 5 9.890 16.546 18.652 35 HG LEU 5 HG LEU 5 11.711 18.257 20.334 36 1HD1 LEU 5 1HD1 LEU 5 10.200 15.751 21.039 37 2HD1 LEU 5 2HD1 LEU 5 9.951 17.358 21.720 38 3HD1 LEU 5 3HD1 LEU 5 11.457 16.493 22.027 39 1HD2 LEU 5 1HD2 LEU 5 12.859 16.903 18.662 40 2HD2 LEU 5 2HD2 LEU 5 12.002 15.468 19.222 41 3HD2 LEU 5 3HD2 LEU 5 13.154 16.277 20.284 42 HA PRO 6 HA PRO 6 7.953 18.440 14.572 43 1HB PRO 6 1HB PRO 6 7.235 15.894 13.999 44 2HB PRO 6 2HB PRO 6 8.705 16.627 13.343 45 1HG PRO 6 1HG PRO 6 8.384 14.794 15.685 46 2HG PRO 6 2HG PRO 6 9.598 14.750 14.394 47 1HD PRO 6 1HD PRO 6 10.112 15.797 16.840 48 2HD PRO 6 2HD PRO 6 10.867 16.424 15.364 49 HA PRO 7 HA PRO 7 4.366 18.279 17.112 50 1HB PRO 7 1HB PRO 7 2.703 17.808 14.740 51 2HB PRO 7 2HB PRO 7 2.726 19.191 15.840 52 1HG PRO 7 1HG PRO 7 3.676 19.347 13.330 53 2HG PRO 7 2HG PRO 7 4.395 20.251 14.672 54 1HD PRO 7 1HD PRO 7 5.346 17.732 13.361 55 2HD PRO 7 2HD PRO 7 6.285 19.128 13.931 56 H CYS 8 H CYS 8 2.145 17.094 17.113 57 HA CYS 8 HA CYS 8 2.733 14.235 17.231 58 1HB CYS 8 1HB CYS 8 1.998 15.250 19.299 59 2HB CYS 8 2HB CYS 8 0.619 15.992 18.502 60 HA PRO 9 HA PRO 9 0.098 13.926 13.610 61 1HB PRO 9 1HB PRO 9 0.114 11.208 13.413 62 2HB PRO 9 2HB PRO 9 1.433 12.233 12.839 63 1HG PRO 9 1HG PRO 9 1.220 10.650 15.359 64 2HG PRO 9 2HG PRO 9 2.624 10.907 14.309 65 1HD PRO 9 1HD PRO 9 2.235 12.241 16.658 66 2HD PRO 9 2HD PRO 9 3.144 12.914 15.292 67 H GLN 10 H GLN 10 -0.614 13.366 16.700 68 HA GLN 10 HA GLN 10 -3.261 12.235 16.182 69 1HB GLN 10 1HB GLN 10 -1.652 12.606 18.693 70 2HB GLN 10 2HB GLN 10 -3.372 12.302 18.752 71 1HG GLN 10 1HG GLN 10 -2.468 10.235 19.037 72 2HG GLN 10 2HG GLN 10 -2.853 10.266 17.320 73 1HE2 GLN 10 1HE2 GLN 10 -0.316 10.442 19.681 74 2HE2 GLN 10 2HE2 GLN 10 0.972 10.069 18.608 75 H CYS 11 H CYS 11 -1.705 14.956 17.964 76 HA CYS 11 HA CYS 11 -4.247 16.387 17.682 77 1HB CYS 11 1HB CYS 11 -3.723 17.560 19.777 78 2HB CYS 11 2HB CYS 11 -3.819 15.823 20.014 79 H ASN 12 H ASN 12 -0.770 16.581 17.392 80 HA ASN 12 HA ASN 12 0.509 17.873 15.998 81 1HB ASN 12 1HB ASN 12 -1.542 17.853 14.569 82 2HB ASN 12 2HB ASN 12 -2.036 19.360 15.329 83 1HD2 ASN 12 1HD2 ASN 12 -1.953 20.642 13.565 84 2HD2 ASN 12 2HD2 ASN 12 -0.490 21.015 12.709 85 H SER 13 H SER 13 -1.678 19.350 18.155 86 HA SER 13 HA SER 13 -1.240 21.932 18.434 87 1HB SER 13 1HB SER 13 -1.391 21.704 20.911 88 2HB SER 13 2HB SER 13 -2.575 20.737 20.034 89 HG SER 13 HG SER 13 -1.684 19.452 21.611 90 H GLU 14 H GLU 14 0.871 20.014 20.553 91 HA GLU 14 HA GLU 14 3.365 20.703 19.648 92 1HB GLU 14 1HB GLU 14 4.075 22.614 21.003 93 2HB GLU 14 2HB GLU 14 2.781 23.062 19.903 94 1HG GLU 14 1HG GLU 14 1.188 23.107 21.664 95 2HG GLU 14 2HG GLU 14 2.327 22.371 22.792 96 H TYR 15 H TYR 15 1.399 19.377 21.970 97 HA TYR 15 HA TYR 15 3.208 19.456 24.200 98 1HB TYR 15 1HB TYR 15 0.547 18.111 23.751 99 2HB TYR 15 2HB TYR 15 1.472 17.920 25.238 100 HD1 TYR 15 HD1 TYR 15 1.530 19.632 26.881 101 HD2 TYR 15 HD2 TYR 15 -0.320 20.362 23.120 102 HE1 TYR 15 HE1 TYR 15 0.577 21.721 27.761 103 HE2 TYR 15 HE2 TYR 15 -1.276 22.451 23.990 104 HH TYR 15 HH TYR 15 -0.277 23.840 26.955 105 H THR 16 H THR 16 4.402 18.297 21.978 106 HA THR 16 HA THR 16 4.660 15.488 22.783 107 HB THR 16 HB THR 16 5.826 16.700 20.285 108 HG1 THR 16 HG1 THR 16 3.210 16.544 20.935 109 1HG2 THR 16 1HG2 THR 16 5.503 14.431 19.429 110 2HG2 THR 16 2HG2 THR 16 4.763 13.958 20.957 111 3HG2 THR 16 3HG2 THR 16 6.466 14.409 20.907 112 H TYR 17 H TYR 17 6.809 14.655 23.095 113 HA TYR 17 HA TYR 17 8.996 16.499 23.314 114 1HB TYR 17 1HB TYR 17 9.433 16.295 25.644 115 2HB TYR 17 2HB TYR 17 7.748 16.779 25.495 116 HD1 TYR 17 HD1 TYR 17 5.960 15.262 26.203 117 HD2 TYR 17 HD2 TYR 17 10.043 14.086 26.433 118 HE1 TYR 17 HE1 TYR 17 5.338 13.389 27.667 119 HE2 TYR 17 HE2 TYR 17 9.436 12.206 27.886 120 HH TYR 17 HH TYR 17 7.651 11.537 29.393 121 H GLU 18 H GLU 18 10.943 15.223 24.379 122 HA GLU 18 HA GLU 18 11.006 12.695 22.918 123 1HB GLU 18 1HB GLU 18 13.476 13.015 23.002 124 2HB GLU 18 2HB GLU 18 12.628 14.301 22.158 125 1HG GLU 18 1HG GLU 18 13.325 14.598 25.049 126 2HG GLU 18 2HG GLU 18 14.543 14.881 23.809 127 H ASP 19 H ASP 19 10.739 10.943 24.138 128 HA ASP 19 HA ASP 19 12.163 10.839 26.700 129 1HB ASP 19 1HB ASP 19 9.607 10.769 26.832 130 2HB ASP 19 2HB ASP 19 9.733 9.176 26.086 131 H GLY 20 H GLY 20 14.010 10.047 25.564 132 1HA GLY 20 1HA GLY 20 15.285 8.066 25.327 133 2HA GLY 20 2HA GLY 20 13.803 7.177 25.004 134 H ALA 21 H ALA 21 13.774 6.415 23.024 135 HA ALA 21 HA ALA 21 15.284 7.827 20.931 136 1HB ALA 21 1HB ALA 21 15.961 5.526 21.404 137 2HB ALA 21 2HB ALA 21 15.333 5.689 19.764 138 3HB ALA 21 3HB ALA 21 14.331 4.970 21.025 139 H LEU 22 H LEU 22 12.409 8.262 21.898 140 HA LEU 22 HA LEU 22 11.302 8.484 19.237 141 1HB LEU 22 1HB LEU 22 9.299 7.349 19.592 142 2HB LEU 22 2HB LEU 22 10.524 6.264 20.219 143 HG LEU 22 HG LEU 22 8.899 8.098 21.978 144 1HD1 LEU 22 1HD1 LEU 22 8.384 5.227 21.235 145 2HD1 LEU 22 2HD1 LEU 22 7.383 6.619 20.815 146 3HD1 LEU 22 3HD1 LEU 22 7.544 6.121 22.500 147 1HD2 LEU 22 1HD2 LEU 22 10.550 5.645 22.574 148 2HD2 LEU 22 2HD2 LEU 22 9.580 6.540 23.743 149 3HD2 LEU 22 3HD2 LEU 22 10.969 7.311 22.978 150 H LEU 23 H LEU 23 8.905 9.457 19.678 151 HA LEU 23 HA LEU 23 9.170 11.541 21.736 152 1HB LEU 23 1HB LEU 23 7.533 11.789 19.222 153 2HB LEU 23 2HB LEU 23 8.017 13.061 20.326 154 HG LEU 23 HG LEU 23 9.874 11.555 18.486 155 1HD1 LEU 23 1HD1 LEU 23 8.355 13.001 17.268 156 2HD1 LEU 23 2HD1 LEU 23 9.992 13.657 17.253 157 3HD1 LEU 23 3HD1 LEU 23 8.774 14.353 18.323 158 1HD2 LEU 23 1HD2 LEU 23 11.507 13.271 19.128 159 2HD2 LEU 23 2HD2 LEU 23 11.008 12.278 20.498 160 3HD2 LEU 23 3HD2 LEU 23 10.359 13.907 20.306 161 H VAL 24 H VAL 24 7.369 11.766 23.120 162 HA VAL 24 HA VAL 24 5.101 10.023 22.453 163 HB VAL 24 HB VAL 24 4.987 8.991 24.468 164 1HG1 VAL 24 1HG1 VAL 24 7.144 8.365 23.575 165 2HG1 VAL 24 2HG1 VAL 24 7.184 8.377 25.338 166 3HG1 VAL 24 3HG1 VAL 24 7.910 9.704 24.430 167 1HG2 VAL 24 1HG2 VAL 24 5.790 9.886 26.612 168 2HG2 VAL 24 2HG2 VAL 24 4.633 10.955 25.817 169 3HG2 VAL 24 3HG2 VAL 24 6.358 11.332 25.776 170 H CYS 25 H CYS 25 3.085 10.828 22.974 171 HA CYS 25 HA CYS 25 3.098 13.663 23.729 172 1HB CYS 25 1HB CYS 25 2.081 13.164 21.550 173 2HB CYS 25 2HB CYS 25 0.961 12.049 22.323 174 HA PRO 26 HA PRO 26 1.598 12.003 27.650 175 1HB PRO 26 1HB PRO 26 1.602 14.481 28.847 176 2HB PRO 26 2HB PRO 26 3.007 13.413 28.770 177 1HG PRO 26 1HG PRO 26 2.302 15.748 27.039 178 2HG PRO 26 2HG PRO 26 3.880 15.280 27.702 179 1HD PRO 26 1HD PRO 26 3.229 14.783 25.151 180 2HD PRO 26 2HD PRO 26 4.207 13.641 26.097 181 H GLU 27 H GLU 27 0.408 14.506 25.586 182 HA GLU 27 HA GLU 27 -2.019 14.973 27.006 183 1HB GLU 27 1HB GLU 27 -1.003 16.660 25.506 184 2HB GLU 27 2HB GLU 27 -1.349 15.618 24.131 185 1HG GLU 27 1HG GLU 27 -2.963 17.505 24.530 186 2HG GLU 27 2HG GLU 27 -3.673 15.899 24.370 187 H CYS 28 H CYS 28 -1.433 13.328 23.789 188 HA CYS 28 HA CYS 28 -4.047 12.284 23.757 189 1HB CYS 28 1HB CYS 28 -1.560 11.602 22.181 190 2HB CYS 28 2HB CYS 28 -3.157 10.957 21.833 191 H ALA 29 H ALA 29 -1.408 11.317 25.652 192 HA ALA 29 HA ALA 29 -0.617 9.377 26.456 193 1HB ALA 29 1HB ALA 29 -3.483 8.505 26.112 194 2HB ALA 29 2HB ALA 29 -2.838 9.398 27.488 195 3HB ALA 29 3HB ALA 29 -2.286 7.753 27.168 196 H HIS 30 H HIS 30 -0.018 9.661 23.839 197 HA HIS 30 HA HIS 30 0.034 6.903 22.919 198 1HB HIS 30 1HB HIS 30 -1.250 9.147 21.406 199 2HB HIS 30 2HB HIS 30 -0.406 7.884 20.517 200 HD1 HIS 30 HD1 HIS 30 -3.686 8.680 21.328 201 HD2 HIS 30 HD2 HIS 30 -1.438 5.203 21.760 202 HE1 HIS 30 HE1 HIS 30 -5.354 6.812 21.530 203 HE2 HIS 30 HE2 HIS 30 -3.975 4.706 21.664 204 H GLU 31 H GLU 31 2.017 6.395 22.398 205 HA GLU 31 HA GLU 31 3.999 8.498 22.001 206 1HB GLU 31 1HB GLU 31 4.418 5.509 22.209 207 2HB GLU 31 2HB GLU 31 5.657 6.749 22.302 208 1HG GLU 31 1HG GLU 31 5.364 6.144 24.507 209 2HG GLU 31 2HG GLU 31 4.359 7.584 24.365 210 H TRP 32 H TRP 32 5.561 8.332 20.229 211 HA TRP 32 HA TRP 32 4.945 6.607 18.006 212 1HB TRP 32 1HB TRP 32 4.015 8.081 16.528 213 2HB TRP 32 2HB TRP 32 3.414 8.794 18.017 214 HD1 TRP 32 HD1 TRP 32 5.360 10.777 18.996 215 HE1 TRP 32 HE1 TRP 32 6.313 12.718 17.588 216 HE3 TRP 32 HE3 TRP 32 4.482 8.897 14.333 217 HZ2 TRP 32 HZ2 TRP 32 6.638 13.359 14.866 218 HZ3 TRP 32 HZ3 TRP 32 5.135 10.238 12.380 219 HH2 TRP 32 HH2 TRP 32 6.193 12.423 12.640 220 H SER 33 H SER 33 6.525 6.976 16.209 221 HA SER 33 HA SER 33 8.934 8.337 17.192 222 1HB SER 33 1HB SER 33 9.146 5.855 17.370 223 2HB SER 33 2HB SER 33 8.922 5.749 15.626 224 HG SER 33 HG SER 33 11.174 6.050 16.855 225 HA PRO 34 HA PRO 34 8.240 10.763 13.602 226 1HB PRO 34 1HB PRO 34 10.811 11.754 13.348 227 2HB PRO 34 2HB PRO 34 9.571 12.410 14.420 228 1HG PRO 34 1HG PRO 34 11.823 10.546 15.041 229 2HG PRO 34 2HG PRO 34 11.190 11.901 15.995 230 1HD PRO 34 1HD PRO 34 10.595 9.365 16.612 231 2HD PRO 34 2HD PRO 34 9.399 10.664 16.793 232 H ASN 35 H ASN 35 10.931 8.513 13.724 233 HA ASN 35 HA ASN 35 10.957 8.426 10.782 234 1HB ASN 35 1HB ASN 35 13.242 7.518 10.977 235 2HB ASN 35 2HB ASN 35 13.101 9.103 11.726 236 1HD2 ASN 35 1HD2 ASN 35 15.049 6.975 12.176 237 2HD2 ASN 35 2HD2 ASN 35 14.961 6.591 13.859 238 H GLU 36 H GLU 36 10.575 6.556 13.678 239 HA GLU 36 HA GLU 36 10.815 4.028 12.268 240 1HB GLU 36 1HB GLU 36 11.763 4.527 14.568 241 2HB GLU 36 2HB GLU 36 10.115 4.470 15.164 242 1HG GLU 36 1HG GLU 36 9.909 2.166 14.574 243 2HG GLU 36 2HG GLU 36 11.469 2.194 13.748 244 H ALA 37 H ALA 37 8.368 6.230 12.759 245 HA ALA 37 HA ALA 37 6.162 4.543 13.315 246 1HB ALA 37 1HB ALA 37 4.774 6.380 12.496 247 2HB ALA 37 2HB ALA 37 6.207 7.173 11.839 248 3HB ALA 37 3HB ALA 37 6.035 6.965 13.582 249 H ALA 38 H ALA 38 7.846 5.391 10.371 250 HA ALA 38 HA ALA 38 5.930 4.571 8.498 251 1HB ALA 38 1HB ALA 38 7.899 5.897 7.904 252 2HB ALA 38 2HB ALA 38 7.772 4.447 6.909 253 3HB ALA 38 3HB ALA 38 8.934 4.507 8.234 254 H THR 39 H THR 39 8.708 2.802 9.839 255 HA THR 39 HA THR 39 9.032 0.618 10.314 256 HB THR 39 HB THR 39 6.126 0.160 9.619 257 HG1 THR 39 HG1 THR 39 6.945 1.725 11.453 258 1HG2 THR 39 1HG2 THR 39 8.062 -1.395 11.334 259 2HG2 THR 39 2HG2 THR 39 7.470 -1.878 9.745 260 3HG2 THR 39 3HG2 THR 39 6.355 -1.775 11.107 261 H ALA 40 H ALA 40 6.599 0.319 7.738 262 HA ALA 40 HA ALA 40 8.588 -0.370 5.769 263 1HB ALA 40 1HB ALA 40 7.730 -2.618 5.321 264 2HB ALA 40 2HB ALA 40 6.633 -2.477 6.695 265 3HB ALA 40 3HB ALA 40 8.376 -2.500 6.958 266 H SER 41 H SER 41 7.861 0.791 4.104 267 HA SER 41 HA SER 41 5.043 1.273 3.730 268 1HB SER 41 1HB SER 41 7.377 2.058 1.974 269 2HB SER 41 2HB SER 41 5.730 2.680 1.869 270 HG SER 41 HG SER 41 5.982 3.644 3.879 271 H ASP 42 H ASP 42 4.180 -0.700 3.292 272 HA ASP 42 HA ASP 42 5.186 -2.521 1.372 273 1HB ASP 42 1HB ASP 42 3.775 -3.205 3.247 274 2HB ASP 42 2HB ASP 42 2.446 -2.246 2.613 275 H ASP 43 H ASP 43 4.298 -3.038 -0.660 276 HA ASP 43 HA ASP 43 2.822 -0.831 -1.911 277 1HB ASP 43 1HB ASP 43 5.107 -0.818 -2.741 278 2HB ASP 43 2HB ASP 43 4.993 -2.524 -3.163 279 H GLY 44 H GLY 44 0.964 -2.030 -1.296 280 1HA GLY 44 1HA GLY 44 0.360 -4.254 -3.116 281 2HA GLY 44 2HA GLY 44 -0.626 -3.746 -1.747 282 H LYS 45 H LYS 45 0.811 -1.784 -4.298 283 HA LYS 45 HA LYS 45 -1.877 -0.787 -4.934 284 1HB LYS 45 1HB LYS 45 0.847 0.431 -5.421 285 2HB LYS 45 2HB LYS 45 -0.670 1.146 -5.950 286 1HG LYS 45 1HG LYS 45 -1.399 1.321 -3.622 287 2HG LYS 45 2HG LYS 45 0.125 0.609 -3.095 288 1HD LYS 45 1HD LYS 45 0.084 3.089 -4.781 289 2HD LYS 45 2HD LYS 45 -0.142 3.179 -3.036 290 1HE LYS 45 1HE LYS 45 2.170 3.550 -3.486 291 2HE LYS 45 2HE LYS 45 2.016 1.950 -2.770 292 1HZ LYS 45 1HZ LYS 45 2.169 2.375 -5.701 293 2HZ LYS 45 2HZ LYS 45 2.379 0.923 -4.838 294 3HZ LYS 45 3HZ LYS 45 3.543 2.150 -4.731 295 H VAL 46 H VAL 46 0.744 -2.589 -6.191 296 HA VAL 46 HA VAL 46 -0.673 -2.923 -8.705 297 HB VAL 46 HB VAL 46 0.925 -1.108 -9.115 298 1HG1 VAL 46 1HG1 VAL 46 3.336 -1.524 -9.069 299 2HG1 VAL 46 2HG1 VAL 46 3.044 -3.114 -8.364 300 3HG1 VAL 46 3HG1 VAL 46 2.615 -1.659 -7.465 301 1HG2 VAL 46 1HG2 VAL 46 2.028 -2.088 -11.074 302 2HG2 VAL 46 2HG2 VAL 46 0.343 -2.589 -10.934 303 3HG2 VAL 46 3HG2 VAL 46 1.635 -3.698 -10.473 304 H ILE 47 H ILE 47 -0.382 -4.942 -9.628 305 HA ILE 47 HA ILE 47 0.462 -6.962 -7.749 306 HB ILE 47 HB ILE 47 -0.330 -7.700 -10.534 307 1HG1 ILE 47 1HG1 ILE 47 -1.876 -5.842 -9.859 308 2HG1 ILE 47 2HG1 ILE 47 -2.677 -7.382 -10.136 309 1HG2 ILE 47 1HG2 ILE 47 -1.638 -9.445 -9.219 310 2HG2 ILE 47 2HG2 ILE 47 -0.841 -8.809 -7.777 311 3HG2 ILE 47 3HG2 ILE 47 0.123 -9.516 -9.072 312 1HD1 ILE 47 1HD1 ILE 47 -3.565 -6.229 -8.187 313 2HD1 ILE 47 2HD1 ILE 47 -1.962 -6.238 -7.450 314 3HD1 ILE 47 3HD1 ILE 47 -2.805 -7.758 -7.743 315 H LYS 48 H LYS 48 2.504 -7.593 -7.626 316 HA LYS 48 HA LYS 48 4.212 -7.553 -9.993 317 1HB LYS 48 1HB LYS 48 4.611 -7.107 -7.184 318 2HB LYS 48 2HB LYS 48 5.677 -8.392 -7.736 319 1HG LYS 48 1HG LYS 48 6.881 -7.008 -9.076 320 2HG LYS 48 2HG LYS 48 5.514 -5.936 -9.387 321 1HD LYS 48 1HD LYS 48 6.923 -6.129 -6.731 322 2HD LYS 48 2HD LYS 48 7.336 -4.947 -7.976 323 1HE LYS 48 1HE LYS 48 5.047 -4.074 -7.903 324 2HE LYS 48 2HE LYS 48 4.639 -5.251 -6.654 325 1HZ LYS 48 1HZ LYS 48 6.115 -4.217 -5.141 326 2HZ LYS 48 2HZ LYS 48 5.186 -2.972 -5.830 327 3HZ LYS 48 3HZ LYS 48 6.782 -3.226 -6.348 328 H ASP 49 H ASP 49 5.447 -9.369 -10.598 329 HA ASP 49 HA ASP 49 4.006 -11.873 -10.216 330 1HB ASP 49 1HB ASP 49 6.309 -11.222 -12.058 331 2HB ASP 49 2HB ASP 49 5.334 -12.679 -12.104 332 H SER 50 H SER 50 5.576 -13.875 -10.336 333 HA SER 50 HA SER 50 7.084 -13.781 -7.893 334 1HB SER 50 1HB SER 50 5.712 -15.744 -8.614 335 2HB SER 50 2HB SER 50 6.884 -16.044 -9.896 336 HG SER 50 HG SER 50 6.988 -17.030 -7.533 337 H VAL 51 H VAL 51 7.773 -13.015 -10.982 338 HA VAL 51 HA VAL 51 10.610 -13.752 -10.838 339 HB VAL 51 HB VAL 51 9.677 -14.361 -12.916 340 1HG1 VAL 51 1HG1 VAL 51 8.519 -12.743 -14.384 341 2HG1 VAL 51 2HG1 VAL 51 8.485 -11.632 -13.011 342 3HG1 VAL 51 3HG1 VAL 51 7.656 -13.189 -12.911 343 1HG2 VAL 51 1HG2 VAL 51 11.130 -11.765 -13.374 344 2HG2 VAL 51 2HG2 VAL 51 10.872 -13.028 -14.579 345 3HG2 VAL 51 3HG2 VAL 51 11.872 -13.352 -13.163 346 H GLY 52 H GLY 52 8.620 -11.344 -9.916 347 1HA GLY 52 1HA GLY 52 9.321 -9.514 -8.663 348 2HA GLY 52 2HA GLY 52 10.913 -9.663 -9.380 349 H ASN 53 H ASN 53 8.687 -9.687 -11.875 350 HA ASN 53 HA ASN 53 9.228 -6.850 -12.310 351 1HB ASN 53 1HB ASN 53 8.118 -7.368 -14.611 352 2HB ASN 53 2HB ASN 53 9.781 -7.837 -14.301 353 1HD2 ASN 53 1HD2 ASN 53 6.850 -9.466 -13.163 354 2HD2 ASN 53 2HD2 ASN 53 7.127 -10.907 -14.063 355 H VAL 54 H VAL 54 7.605 -5.451 -13.110 356 HA VAL 54 HA VAL 54 5.234 -5.806 -11.431 357 HB VAL 54 HB VAL 54 6.107 -3.239 -12.698 358 1HG1 VAL 54 1HG1 VAL 54 4.310 -3.901 -10.373 359 2HG1 VAL 54 2HG1 VAL 54 3.832 -3.227 -11.934 360 3HG1 VAL 54 3HG1 VAL 54 4.808 -2.267 -10.821 361 1HG2 VAL 54 1HG2 VAL 54 7.188 -2.689 -10.564 362 2HG2 VAL 54 2HG2 VAL 54 7.946 -4.083 -11.333 363 3HG2 VAL 54 3HG2 VAL 54 6.840 -4.316 -9.977 364 H LEU 55 H LEU 55 3.659 -6.636 -12.402 365 HA LEU 55 HA LEU 55 2.870 -6.452 -15.063 366 1HB LEU 55 1HB LEU 55 1.205 -6.920 -12.606 367 2HB LEU 55 2HB LEU 55 0.589 -7.082 -14.245 368 HG LEU 55 HG LEU 55 2.884 -8.626 -13.112 369 1HD1 LEU 55 1HD1 LEU 55 0.707 -9.225 -12.126 370 2HD1 LEU 55 2HD1 LEU 55 1.486 -10.524 -13.029 371 3HD1 LEU 55 3HD1 LEU 55 0.143 -9.626 -13.749 372 1HD2 LEU 55 1HD2 LEU 55 1.475 -8.835 -15.739 373 2HD2 LEU 55 2HD2 LEU 55 2.732 -9.930 -15.151 374 3HD2 LEU 55 3HD2 LEU 55 3.113 -8.235 -15.465 375 H GLN 56 H GLN 56 1.468 -5.273 -16.187 376 HA GLN 56 HA GLN 56 0.481 -2.771 -14.990 377 1HB GLN 56 1HB GLN 56 2.277 -2.334 -16.628 378 2HB GLN 56 2HB GLN 56 1.404 -3.268 -17.836 379 1HG GLN 56 1HG GLN 56 -0.502 -1.558 -17.385 380 2HG GLN 56 2HG GLN 56 0.799 -0.566 -16.727 381 1HE2 GLN 56 1HE2 GLN 56 -0.523 -2.047 -19.560 382 2HE2 GLN 56 2HE2 GLN 56 0.436 -1.189 -20.719 383 H ASP 57 H ASP 57 -1.709 -2.193 -15.640 384 HA ASP 57 HA ASP 57 -3.396 -4.341 -16.224 385 1HB ASP 57 1HB ASP 57 -3.773 -1.916 -15.183 386 2HB ASP 57 2HB ASP 57 -4.199 -1.536 -16.848 387 H GLY 58 H GLY 58 -3.955 -5.220 -18.091 388 1HA GLY 58 1HA GLY 58 -4.394 -5.346 -20.384 389 2HA GLY 58 2HA GLY 58 -3.720 -3.737 -20.578 390 H ASP 59 H ASP 59 -1.514 -5.406 -18.780 391 HA ASP 59 HA ASP 59 0.204 -5.813 -21.061 392 1HB ASP 59 1HB ASP 59 0.799 -5.103 -18.562 393 2HB ASP 59 2HB ASP 59 0.970 -6.844 -18.377 394 H THR 60 H THR 60 1.576 -7.908 -20.969 395 HA THR 60 HA THR 60 -0.334 -10.123 -21.098 396 HB THR 60 HB THR 60 2.419 -9.999 -22.332 397 HG1 THR 60 HG1 THR 60 1.421 -9.261 -24.204 398 1HG2 THR 60 1HG2 THR 60 1.569 -12.245 -22.196 399 2HG2 THR 60 2HG2 THR 60 1.430 -11.706 -23.872 400 3HG2 THR 60 3HG2 THR 60 0.005 -11.742 -22.834 401 H ILE 61 H ILE 61 0.034 -12.032 -19.951 402 HA ILE 61 HA ILE 61 2.418 -12.009 -18.219 403 HB ILE 61 HB ILE 61 1.201 -12.909 -16.368 404 1HG1 ILE 61 1HG1 ILE 61 -1.453 -12.889 -16.712 405 2HG1 ILE 61 2HG1 ILE 61 -0.980 -13.287 -18.360 406 1HG2 ILE 61 1HG2 ILE 61 -0.334 -10.602 -17.542 407 2HG2 ILE 61 2HG2 ILE 61 1.152 -10.499 -16.602 408 3HG2 ILE 61 3HG2 ILE 61 -0.329 -11.084 -15.845 409 1HD1 ILE 61 1HD1 ILE 61 -1.437 -15.289 -17.091 410 2HD1 ILE 61 2HD1 ILE 61 -0.243 -14.820 -15.879 411 3HD1 ILE 61 3HD1 ILE 61 0.273 -15.213 -17.520 412 H THR 62 H THR 62 3.030 -14.177 -17.428 413 HA THR 62 HA THR 62 1.907 -16.449 -18.843 414 HB THR 62 HB THR 62 4.692 -15.405 -19.176 415 HG1 THR 62 HG1 THR 62 2.635 -15.425 -20.688 416 1HG2 THR 62 1HG2 THR 62 3.876 -18.291 -19.520 417 2HG2 THR 62 2HG2 THR 62 5.056 -17.658 -18.369 418 3HG2 THR 62 3HG2 THR 62 5.385 -17.586 -20.101 419 H VAL 63 H VAL 63 1.448 -17.807 -17.251 420 HA VAL 63 HA VAL 63 2.529 -17.863 -14.691 421 HB VAL 63 HB VAL 63 0.410 -19.077 -15.807 422 1HG1 VAL 63 1HG1 VAL 63 2.469 -21.251 -15.654 423 2HG1 VAL 63 2HG1 VAL 63 1.645 -20.667 -17.101 424 3HG1 VAL 63 3HG1 VAL 63 0.732 -21.499 -15.841 425 1HG2 VAL 63 1HG2 VAL 63 0.175 -20.396 -13.768 426 2HG2 VAL 63 2HG2 VAL 63 0.779 -18.778 -13.409 427 3HG2 VAL 63 3HG2 VAL 63 1.884 -20.154 -13.407 428 H ILE 64 H ILE 64 4.426 -18.599 -13.926 429 HA ILE 64 HA ILE 64 6.069 -20.181 -15.736 430 HB ILE 64 HB ILE 64 7.988 -19.576 -14.423 431 1HG1 ILE 64 1HG1 ILE 64 6.518 -19.521 -12.227 432 2HG1 ILE 64 2HG1 ILE 64 7.993 -18.572 -12.344 433 1HG2 ILE 64 1HG2 ILE 64 7.307 -17.985 -16.092 434 2HG2 ILE 64 2HG2 ILE 64 7.951 -17.122 -14.692 435 3HG2 ILE 64 3HG2 ILE 64 6.208 -17.209 -14.951 436 1HD1 ILE 64 1HD1 ILE 64 5.184 -17.575 -12.722 437 2HD1 ILE 64 2HD1 ILE 64 6.645 -16.601 -12.902 438 3HD1 ILE 64 3HD1 ILE 64 6.229 -17.290 -11.332 439 H LYS 65 H LYS 65 3.798 -21.280 -13.890 440 HA LYS 65 HA LYS 65 5.436 -23.328 -12.652 441 1HB LYS 65 1HB LYS 65 3.534 -21.467 -11.346 442 2HB LYS 65 2HB LYS 65 3.300 -23.160 -10.954 443 1HG LYS 65 1HG LYS 65 4.659 -22.175 -9.273 444 2HG LYS 65 2HG LYS 65 5.670 -23.259 -10.226 445 1HD LYS 65 1HD LYS 65 6.645 -21.407 -11.400 446 2HD LYS 65 2HD LYS 65 5.519 -20.279 -10.642 447 1HE LYS 65 1HE LYS 65 7.813 -20.288 -9.644 448 2HE LYS 65 2HE LYS 65 6.511 -20.608 -8.500 449 1HZ LYS 65 1HZ LYS 65 7.042 -22.881 -8.437 450 2HZ LYS 65 2HZ LYS 65 8.533 -22.080 -8.335 451 3HZ LYS 65 3HZ LYS 65 8.047 -22.784 -9.799 452 H ASP 66 H ASP 66 4.247 -25.347 -12.481 453 HA ASP 66 HA ASP 66 1.968 -25.565 -14.226 454 1HB ASP 66 1HB ASP 66 1.999 -27.937 -13.812 455 2HB ASP 66 2HB ASP 66 3.650 -27.390 -14.070 456 H LEU 67 H LEU 67 0.100 -24.893 -13.672 457 HA LEU 67 HA LEU 67 -0.977 -25.575 -11.011 458 1HB LEU 67 1HB LEU 67 -1.857 -23.210 -12.660 459 2HB LEU 67 2HB LEU 67 -2.260 -23.566 -10.995 460 HG LEU 67 HG LEU 67 0.392 -22.605 -12.059 461 1HD1 LEU 67 1HD1 LEU 67 -1.305 -20.884 -11.843 462 2HD1 LEU 67 2HD1 LEU 67 -0.063 -20.681 -10.608 463 3HD1 LEU 67 3HD1 LEU 67 -1.624 -21.381 -10.182 464 1HD2 LEU 67 1HD2 LEU 67 1.114 -22.600 -9.697 465 2HD2 LEU 67 2HD2 LEU 67 0.838 -24.222 -10.334 466 3HD2 LEU 67 3HD2 LEU 67 -0.359 -23.473 -9.271 467 H LYS 68 H LYS 68 -2.855 -26.728 -11.108 468 HA LYS 68 HA LYS 68 -4.017 -27.254 -13.706 469 1HB LYS 68 1HB LYS 68 -5.479 -28.840 -12.458 470 2HB LYS 68 2HB LYS 68 -3.760 -29.159 -12.278 471 1HG LYS 68 1HG LYS 68 -3.753 -28.170 -10.090 472 2HG LYS 68 2HG LYS 68 -5.437 -27.675 -10.271 473 1HD LYS 68 1HD LYS 68 -5.282 -29.680 -8.909 474 2HD LYS 68 2HD LYS 68 -6.100 -30.023 -10.434 475 1HE LYS 68 1HE LYS 68 -4.487 -31.780 -9.793 476 2HE LYS 68 2HE LYS 68 -4.100 -31.023 -11.337 477 1HZ LYS 68 1HZ LYS 68 -2.306 -29.886 -10.415 478 2HZ LYS 68 2HZ LYS 68 -2.212 -31.413 -9.681 479 3HZ LYS 68 3HZ LYS 68 -2.848 -30.097 -8.824 480 H VAL 69 H VAL 69 -6.582 -27.358 -13.678 481 HA VAL 69 HA VAL 69 -7.626 -24.989 -12.282 482 HB VAL 69 HB VAL 69 -8.411 -25.764 -15.100 483 1HG1 VAL 69 1HG1 VAL 69 -10.088 -24.575 -13.748 484 2HG1 VAL 69 2HG1 VAL 69 -9.556 -23.661 -15.160 485 3HG1 VAL 69 3HG1 VAL 69 -8.950 -23.239 -13.553 486 1HG2 VAL 69 1HG2 VAL 69 -7.154 -23.936 -15.969 487 2HG2 VAL 69 2HG2 VAL 69 -6.062 -24.957 -15.029 488 3HG2 VAL 69 3HG2 VAL 69 -6.653 -23.439 -14.350 489 H LYS 70 H LYS 70 -9.417 -25.607 -11.098 490 HA LYS 70 HA LYS 70 -10.218 -28.385 -11.489 491 1HB LYS 70 1HB LYS 70 -11.101 -28.275 -9.224 492 2HB LYS 70 2HB LYS 70 -9.416 -27.790 -9.278 493 1HG LYS 70 1HG LYS 70 -10.206 -26.168 -7.902 494 2HG LYS 70 2HG LYS 70 -10.507 -25.376 -9.449 495 1HD LYS 70 1HD LYS 70 -12.452 -25.198 -7.990 496 2HD LYS 70 2HD LYS 70 -12.822 -26.185 -9.407 497 1HE LYS 70 1HE LYS 70 -12.473 -28.213 -8.079 498 2HE LYS 70 2HE LYS 70 -12.099 -27.228 -6.668 499 1HZ LYS 70 1HZ LYS 70 -14.703 -27.251 -8.099 500 2HZ LYS 70 2HZ LYS 70 -14.340 -26.355 -6.708 501 3HZ LYS 70 3HZ LYS 70 -14.374 -28.051 -6.640 502 H GLY 71 H GLY 71 -11.272 -25.432 -12.430 503 1HA GLY 71 1HA GLY 71 -14.074 -26.371 -12.560 504 2HA GLY 71 2HA GLY 71 -13.648 -24.671 -12.377 505 H SER 72 H SER 72 -11.934 -26.927 -14.415 506 HA SER 72 HA SER 72 -13.039 -25.854 -16.796 507 1HB SER 72 1HB SER 72 -10.195 -25.194 -16.045 508 2HB SER 72 2HB SER 72 -10.807 -25.125 -17.689 509 HG SER 72 HG SER 72 -12.512 -23.817 -16.140 510 H SER 73 H SER 73 -11.651 -26.838 -18.727 511 HA SER 73 HA SER 73 -10.729 -29.500 -17.936 512 1HB SER 73 1HB SER 73 -10.590 -29.754 -20.516 513 2HB SER 73 2HB SER 73 -12.187 -29.701 -19.769 514 HG SER 73 HG SER 73 -12.557 -28.071 -21.019 515 H LEU 74 H LEU 74 -9.640 -26.420 -18.543 516 HA LEU 74 HA LEU 74 -7.159 -27.058 -19.821 517 1HB LEU 74 1HB LEU 74 -8.478 -24.607 -18.820 518 2HB LEU 74 2HB LEU 74 -6.733 -24.565 -18.945 519 HG LEU 74 HG LEU 74 -6.921 -25.180 -21.344 520 1HD1 LEU 74 1HD1 LEU 74 -9.067 -26.335 -21.256 521 2HD1 LEU 74 2HD1 LEU 74 -9.083 -25.040 -22.454 522 3HD1 LEU 74 3HD1 LEU 74 -9.878 -24.809 -20.897 523 1HD2 LEU 74 1HD2 LEU 74 -8.442 -22.716 -20.513 524 2HD2 LEU 74 2HD2 LEU 74 -7.732 -23.002 -22.103 525 3HD2 LEU 74 3HD2 LEU 74 -6.693 -22.855 -20.685 526 H VAL 75 H VAL 75 -5.220 -27.341 -18.979 527 HA VAL 75 HA VAL 75 -4.813 -26.899 -16.112 528 HB VAL 75 HB VAL 75 -3.102 -28.484 -18.049 529 1HG1 VAL 75 1HG1 VAL 75 -2.925 -28.194 -15.051 530 2HG1 VAL 75 2HG1 VAL 75 -1.791 -27.541 -16.235 531 3HG1 VAL 75 3HG1 VAL 75 -1.950 -29.286 -16.035 532 1HG2 VAL 75 1HG2 VAL 75 -3.941 -30.466 -16.882 533 2HG2 VAL 75 2HG2 VAL 75 -5.252 -29.569 -17.646 534 3HG2 VAL 75 3HG2 VAL 75 -4.998 -29.447 -15.905 535 H VAL 76 H VAL 76 -3.609 -25.249 -15.494 536 HA VAL 76 HA VAL 76 -2.489 -23.427 -17.416 537 HB VAL 76 HB VAL 76 -2.576 -23.394 -14.391 538 1HG1 VAL 76 1HG1 VAL 76 -0.635 -22.165 -15.114 539 2HG1 VAL 76 2HG1 VAL 76 -1.878 -21.062 -14.528 540 3HG1 VAL 76 3HG1 VAL 76 -1.612 -21.250 -16.263 541 1HG2 VAL 76 1HG2 VAL 76 -4.125 -21.863 -16.468 542 2HG2 VAL 76 2HG2 VAL 76 -4.224 -21.607 -14.725 543 3HG2 VAL 76 3HG2 VAL 76 -4.743 -23.142 -15.421 544 H LYS 77 H LYS 77 -0.626 -23.960 -18.314 545 HA LYS 77 HA LYS 77 1.382 -25.352 -16.685 546 1HB LYS 77 1HB LYS 77 2.355 -26.032 -18.951 547 2HB LYS 77 2HB LYS 77 0.864 -26.797 -18.432 548 1HG LYS 77 1HG LYS 77 0.588 -26.326 -20.710 549 2HG LYS 77 2HG LYS 77 -0.351 -25.101 -19.859 550 1HD LYS 77 1HD LYS 77 1.280 -23.437 -20.266 551 2HD LYS 77 2HD LYS 77 2.466 -24.632 -20.791 552 1HE LYS 77 1HE LYS 77 -0.120 -24.019 -22.218 553 2HE LYS 77 2HE LYS 77 1.455 -23.366 -22.665 554 1HZ LYS 77 1HZ LYS 77 0.786 -25.322 -23.982 555 2HZ LYS 77 2HZ LYS 77 0.822 -26.269 -22.574 556 3HZ LYS 77 3HZ LYS 77 2.245 -25.551 -23.152 557 H VAL 78 H VAL 78 3.551 -24.832 -16.849 558 HA VAL 78 HA VAL 78 4.182 -22.118 -16.657 559 HB VAL 78 HB VAL 78 5.678 -23.663 -15.658 560 1HG1 VAL 78 1HG1 VAL 78 5.305 -25.587 -17.092 561 2HG1 VAL 78 2HG1 VAL 78 7.033 -25.275 -16.919 562 3HG1 VAL 78 3HG1 VAL 78 6.195 -24.808 -18.400 563 1HG2 VAL 78 1HG2 VAL 78 7.073 -22.397 -18.015 564 2HG2 VAL 78 2HG2 VAL 78 7.870 -23.019 -16.570 565 3HG2 VAL 78 3HG2 VAL 78 6.770 -21.648 -16.447 566 H GLY 79 H GLY 79 3.445 -20.929 -18.374 567 1HA GLY 79 1HA GLY 79 4.768 -19.851 -20.324 568 2HA GLY 79 2HA GLY 79 4.563 -21.446 -21.043 569 H THR 80 H THR 80 2.005 -20.936 -19.167 570 HA THR 80 HA THR 80 0.092 -20.571 -21.203 571 HB THR 80 HB THR 80 -0.275 -20.033 -18.253 572 HG1 THR 80 HG1 THR 80 0.330 -22.191 -18.717 573 1HG2 THR 80 1HG2 THR 80 -2.024 -18.981 -19.595 574 2HG2 THR 80 2HG2 THR 80 -2.666 -20.367 -18.711 575 3HG2 THR 80 3HG2 THR 80 -2.311 -20.505 -20.434 576 H LYS 81 H LYS 81 0.103 -18.836 -22.440 577 HA LYS 81 HA LYS 81 0.749 -16.254 -21.258 578 1HB LYS 81 1HB LYS 81 1.834 -16.865 -23.397 579 2HB LYS 81 2HB LYS 81 0.253 -16.830 -24.180 580 1HG LYS 81 1HG LYS 81 -0.003 -14.502 -23.707 581 2HG LYS 81 2HG LYS 81 1.451 -14.493 -22.716 582 1HD LYS 81 1HD LYS 81 1.991 -13.500 -24.798 583 2HD LYS 81 2HD LYS 81 2.745 -15.092 -24.764 584 1HE LYS 81 1HE LYS 81 1.120 -15.991 -26.230 585 2HE LYS 81 2HE LYS 81 0.080 -14.576 -26.053 586 1HZ LYS 81 1HZ LYS 81 2.747 -14.626 -27.372 587 2HZ LYS 81 2HZ LYS 81 1.784 -13.246 -27.161 588 3HZ LYS 81 3HZ LYS 81 1.244 -14.515 -28.152 589 H VAL 82 H VAL 82 -0.714 -14.941 -20.512 590 HA VAL 82 HA VAL 82 -3.250 -14.701 -21.961 591 HB VAL 82 HB VAL 82 -2.917 -14.501 -18.957 592 1HG1 VAL 82 1HG1 VAL 82 -5.372 -14.312 -18.946 593 2HG1 VAL 82 2HG1 VAL 82 -5.355 -14.243 -20.708 594 3HG1 VAL 82 3HG1 VAL 82 -4.587 -12.962 -19.767 595 1HG2 VAL 82 1HG2 VAL 82 -4.301 -16.606 -20.615 596 2HG2 VAL 82 2HG2 VAL 82 -4.334 -16.501 -18.855 597 3HG2 VAL 82 3HG2 VAL 82 -2.814 -16.817 -19.691 598 H LYS 83 H LYS 83 -3.357 -12.766 -22.813 599 HA LYS 83 HA LYS 83 -1.745 -10.630 -21.676 600 1HB LYS 83 1HB LYS 83 -1.989 -9.540 -23.894 601 2HB LYS 83 2HB LYS 83 -1.179 -11.094 -23.944 602 1HG LYS 83 1HG LYS 83 -3.338 -12.119 -24.645 603 2HG LYS 83 2HG LYS 83 -4.003 -10.486 -24.765 604 1HD LYS 83 1HD LYS 83 -2.208 -9.905 -26.346 605 2HD LYS 83 2HD LYS 83 -1.627 -11.568 -26.271 606 1HE LYS 83 1HE LYS 83 -4.308 -10.641 -27.274 607 2HE LYS 83 2HE LYS 83 -2.964 -11.224 -28.251 608 1HZ LYS 83 1HZ LYS 83 -3.174 -13.379 -27.068 609 2HZ LYS 83 2HZ LYS 83 -4.532 -12.978 -28.004 610 3HZ LYS 83 3HZ LYS 83 -4.583 -12.794 -26.323 611 H ASN 84 H ASN 84 -2.486 -8.450 -21.700 612 HA ASN 84 HA ASN 84 -3.902 -6.779 -21.279 613 1HB ASN 84 1HB ASN 84 -5.810 -8.556 -22.794 614 2HB ASN 84 2HB ASN 84 -6.248 -6.949 -22.215 615 1HD2 ASN 84 1HD2 ASN 84 -4.361 -8.765 -24.470 616 2HD2 ASN 84 2HD2 ASN 84 -3.853 -7.435 -25.451 617 H ILE 85 H ILE 85 -3.389 -8.430 -19.084 618 HA ILE 85 HA ILE 85 -5.662 -9.330 -17.770 619 HB ILE 85 HB ILE 85 -4.202 -9.288 -15.803 620 1HG1 ILE 85 1HG1 ILE 85 -2.154 -7.922 -17.573 621 2HG1 ILE 85 2HG1 ILE 85 -3.134 -7.061 -16.396 622 1HG2 ILE 85 1HG2 ILE 85 -3.978 -11.113 -17.409 623 2HG2 ILE 85 2HG2 ILE 85 -2.417 -10.723 -16.684 624 3HG2 ILE 85 3HG2 ILE 85 -2.789 -10.177 -18.319 625 1HD1 ILE 85 1HD1 ILE 85 -0.910 -7.496 -15.514 626 2HD1 ILE 85 2HD1 ILE 85 -1.116 -9.225 -15.790 627 3HD1 ILE 85 3HD1 ILE 85 -2.119 -8.400 -14.600 628 H ARG 86 H ARG 86 -5.964 -8.432 -15.468 629 HA ARG 86 HA ARG 86 -6.279 -5.509 -15.391 630 1HB ARG 86 1HB ARG 86 -8.464 -6.180 -15.962 631 2HB ARG 86 2HB ARG 86 -8.365 -7.647 -15.009 632 1HG ARG 86 1HG ARG 86 -9.920 -6.056 -14.037 633 2HG ARG 86 2HG ARG 86 -8.558 -6.346 -12.958 634 1HD ARG 86 1HD ARG 86 -9.417 -3.924 -13.335 635 2HD ARG 86 2HD ARG 86 -7.684 -4.239 -13.280 636 HE ARG 86 HE ARG 86 -7.520 -3.715 -15.511 637 1HH1 ARG 86 1HH1 ARG 86 -10.903 -3.900 -14.617 638 2HH1 ARG 86 2HH1 ARG 86 -11.463 -3.202 -16.105 639 1HH2 ARG 86 1HH2 ARG 86 -8.239 -2.816 -17.441 640 2HH2 ARG 86 2HH2 ARG 86 -9.942 -2.614 -17.745 641 H LEU 87 H LEU 87 -5.393 -4.717 -13.477 642 HA LEU 87 HA LEU 87 -4.383 -6.653 -11.601 643 1HB LEU 87 1HB LEU 87 -4.328 -3.641 -11.404 644 2HB LEU 87 2HB LEU 87 -3.275 -4.780 -10.585 645 HG LEU 87 HG LEU 87 -3.316 -4.265 -13.556 646 1HD1 LEU 87 1HD1 LEU 87 -2.431 -2.378 -12.306 647 2HD1 LEU 87 2HD1 LEU 87 -1.156 -3.202 -13.203 648 3HD1 LEU 87 3HD1 LEU 87 -1.313 -3.451 -11.463 649 1HD2 LEU 87 1HD2 LEU 87 -1.472 -5.971 -11.891 650 2HD2 LEU 87 2HD2 LEU 87 -1.290 -5.627 -13.612 651 3HD2 LEU 87 3HD2 LEU 87 -2.677 -6.554 -13.040 652 H VAL 88 H VAL 88 -5.388 -7.286 -9.780 653 HA VAL 88 HA VAL 88 -7.808 -5.808 -8.994 654 HB VAL 88 HB VAL 88 -7.326 -8.426 -7.748 655 1HG1 VAL 88 1HG1 VAL 88 -9.708 -8.709 -8.249 656 2HG1 VAL 88 2HG1 VAL 88 -9.689 -7.189 -9.145 657 3HG1 VAL 88 3HG1 VAL 88 -9.380 -7.194 -7.408 658 1HG2 VAL 88 1HG2 VAL 88 -8.103 -9.661 -9.775 659 2HG2 VAL 88 2HG2 VAL 88 -6.460 -9.024 -9.881 660 3HG2 VAL 88 3HG2 VAL 88 -7.784 -8.202 -10.716 661 H ASP 89 H ASP 89 -7.709 -4.585 -7.263 662 HA ASP 89 HA ASP 89 -7.348 -3.878 -5.133 663 1HB ASP 89 1HB ASP 89 -6.112 -6.598 -4.703 664 2HB ASP 89 2HB ASP 89 -6.438 -5.431 -3.431 665 H GLY 90 H GLY 90 -5.114 -4.248 -7.346 666 1HA GLY 90 1HA GLY 90 -2.853 -3.920 -7.626 667 2HA GLY 90 2HA GLY 90 -3.008 -2.811 -6.274 668 H ASP 91 H ASP 91 -3.930 -5.846 -5.235 669 HA ASP 91 HA ASP 91 -1.339 -6.096 -3.900 670 1HB ASP 91 1HB ASP 91 -3.281 -5.597 -2.461 671 2HB ASP 91 2HB ASP 91 -4.041 -7.092 -2.986 672 H HIS 92 H HIS 92 -3.750 -8.613 -3.876 673 HA HIS 92 HA HIS 92 -1.623 -10.440 -4.739 674 1HB HIS 92 1HB HIS 92 -2.791 -10.320 -2.306 675 2HB HIS 92 2HB HIS 92 -3.826 -11.509 -3.094 676 HD1 HIS 92 HD1 HIS 92 -0.420 -11.010 -1.713 677 HD2 HIS 92 HD2 HIS 92 -2.513 -13.924 -3.822 678 HE1 HIS 92 HE1 HIS 92 0.979 -13.097 -1.562 679 HE2 HIS 92 HE2 HIS 92 -0.180 -14.758 -3.069 680 H ASP 93 H ASP 93 -2.719 -10.041 -7.068 681 HA ASP 93 HA ASP 93 -4.553 -11.894 -7.758 682 1HB ASP 93 1HB ASP 93 -5.910 -9.599 -6.515 683 2HB ASP 93 2HB ASP 93 -6.609 -10.165 -8.026 684 H ILE 94 H ILE 94 -5.151 -11.986 -9.800 685 HA ILE 94 HA ILE 94 -4.653 -9.679 -11.543 686 HB ILE 94 HB ILE 94 -3.567 -12.437 -12.097 687 1HG1 ILE 94 1HG1 ILE 94 -1.906 -9.982 -11.594 688 2HG1 ILE 94 2HG1 ILE 94 -2.451 -10.990 -10.257 689 1HG2 ILE 94 1HG2 ILE 94 -3.234 -9.838 -13.588 690 2HG2 ILE 94 2HG2 ILE 94 -4.209 -11.215 -14.102 691 3HG2 ILE 94 3HG2 ILE 94 -2.454 -11.366 -13.995 692 1HD1 ILE 94 1HD1 ILE 94 -0.210 -11.567 -10.952 693 2HD1 ILE 94 2HD1 ILE 94 -0.793 -11.904 -12.582 694 3HD1 ILE 94 3HD1 ILE 94 -1.330 -12.900 -11.229 695 H ASP 95 H ASP 95 -6.521 -9.386 -12.521 696 HA ASP 95 HA ASP 95 -8.220 -11.670 -13.038 697 1HB ASP 95 1HB ASP 95 -9.158 -9.592 -12.100 698 2HB ASP 95 2HB ASP 95 -8.677 -8.725 -13.554 699 H CYS 96 H CYS 96 -8.629 -12.530 -14.928 700 HA CYS 96 HA CYS 96 -7.745 -11.201 -17.358 701 1HB CYS 96 1HB CYS 96 -6.603 -13.246 -18.147 702 2HB CYS 96 2HB CYS 96 -5.826 -12.567 -16.720 703 HG CYS 96 HG CYS 96 -7.590 -14.490 -15.172 704 H LYS 97 H LYS 97 -8.733 -12.063 -19.242 705 HA LYS 97 HA LYS 97 -10.959 -13.884 -18.709 706 1HB LYS 97 1HB LYS 97 -11.011 -11.335 -20.324 707 2HB LYS 97 2HB LYS 97 -12.250 -12.580 -20.465 708 1HG LYS 97 1HG LYS 97 -12.734 -12.362 -18.076 709 2HG LYS 97 2HG LYS 97 -11.510 -11.103 -17.947 710 1HD LYS 97 1HD LYS 97 -12.782 -9.641 -19.359 711 2HD LYS 97 2HD LYS 97 -13.941 -10.926 -19.722 712 1HE LYS 97 1HE LYS 97 -14.654 -10.991 -17.415 713 2HE LYS 97 2HE LYS 97 -13.418 -9.820 -16.966 714 1HZ LYS 97 1HZ LYS 97 -14.558 -8.105 -17.982 715 2HZ LYS 97 2HZ LYS 97 -15.812 -9.024 -17.308 716 3HZ LYS 97 3HZ LYS 97 -15.474 -9.136 -18.966 717 H ILE 98 H ILE 98 -11.307 -15.435 -20.228 718 HA ILE 98 HA ILE 98 -9.104 -15.703 -22.149 719 HB ILE 98 HB ILE 98 -10.127 -17.894 -20.336 720 1HG1 ILE 98 1HG1 ILE 98 -7.360 -16.723 -20.277 721 2HG1 ILE 98 2HG1 ILE 98 -8.666 -15.963 -19.373 722 1HG2 ILE 98 1HG2 ILE 98 -9.388 -18.698 -22.523 723 2HG2 ILE 98 2HG2 ILE 98 -8.273 -19.203 -21.253 724 3HG2 ILE 98 3HG2 ILE 98 -7.848 -17.862 -22.317 725 1HD1 ILE 98 1HD1 ILE 98 -7.394 -17.446 -17.963 726 2HD1 ILE 98 2HD1 ILE 98 -7.705 -18.792 -19.061 727 3HD1 ILE 98 3HD1 ILE 98 -9.038 -18.048 -18.175 728 H ASP 99 H ASP 99 -9.944 -15.848 -24.077 729 HA ASP 99 HA ASP 99 -12.696 -16.324 -24.536 730 1HB ASP 99 1HB ASP 99 -10.402 -16.266 -26.507 731 2HB ASP 99 2HB ASP 99 -12.113 -16.141 -26.911 732 H GLY 100 H GLY 100 -13.448 -18.260 -24.020 733 1HA GLY 100 1HA GLY 100 -13.514 -20.460 -25.471 734 2HA GLY 100 2HA GLY 100 -11.945 -20.662 -24.706 735 H ILE 101 H ILE 101 -12.073 -20.190 -22.233 736 HA ILE 101 HA ILE 101 -14.247 -21.849 -21.204 737 HB ILE 101 HB ILE 101 -12.904 -21.856 -19.070 738 1HG1 ILE 101 1HG1 ILE 101 -10.764 -20.648 -20.843 739 2HG1 ILE 101 2HG1 ILE 101 -11.584 -19.806 -19.532 740 1HG2 ILE 101 1HG2 ILE 101 -12.871 -23.720 -20.618 741 2HG2 ILE 101 2HG2 ILE 101 -11.274 -23.487 -19.908 742 3HG2 ILE 101 3HG2 ILE 101 -11.595 -22.946 -21.556 743 1HD1 ILE 101 1HD1 ILE 101 -9.388 -20.565 -18.848 744 2HD1 ILE 101 2HD1 ILE 101 -9.817 -22.227 -19.252 745 3HD1 ILE 101 3HD1 ILE 101 -10.644 -21.398 -17.933 746 H GLY 102 H GLY 102 -12.654 -18.748 -20.545 747 1HA GLY 102 1HA GLY 102 -14.590 -16.994 -20.357 748 2HA GLY 102 2HA GLY 102 -14.944 -17.937 -18.914 749 H ALA 103 H ALA 103 -14.561 -16.040 -17.652 750 HA ALA 103 HA ALA 103 -11.915 -14.872 -17.655 751 1HB ALA 103 1HB ALA 103 -13.880 -13.487 -17.218 752 2HB ALA 103 2HB ALA 103 -12.766 -13.463 -15.851 753 3HB ALA 103 3HB ALA 103 -14.236 -14.436 -15.776 754 H MET 104 H MET 104 -10.356 -15.058 -16.023 755 HA MET 104 HA MET 104 -10.821 -17.111 -13.979 756 1HB MET 104 1HB MET 104 -9.762 -18.188 -15.955 757 2HB MET 104 2HB MET 104 -8.413 -17.071 -15.813 758 1HG MET 104 1HG MET 104 -7.895 -17.987 -13.602 759 2HG MET 104 2HG MET 104 -9.239 -19.115 -13.763 760 1HE MET 104 1HE MET 104 -7.611 -21.130 -13.221 761 2HE MET 104 2HE MET 104 -6.268 -19.999 -13.058 762 3HE MET 104 3HE MET 104 -6.100 -21.425 -14.080 763 H LYS 105 H LYS 105 -9.220 -17.088 -12.272 764 HA LYS 105 HA LYS 105 -8.025 -14.435 -11.887 765 1HB LYS 105 1HB LYS 105 -8.159 -15.025 -9.405 766 2HB LYS 105 2HB LYS 105 -9.673 -14.659 -10.214 767 1HG LYS 105 1HG LYS 105 -8.776 -17.498 -9.928 768 2HG LYS 105 2HG LYS 105 -9.536 -16.660 -8.574 769 1HD LYS 105 1HD LYS 105 -11.484 -16.166 -9.989 770 2HD LYS 105 2HD LYS 105 -10.724 -17.022 -11.330 771 1HE LYS 105 1HE LYS 105 -12.343 -18.460 -10.270 772 2HE LYS 105 2HE LYS 105 -10.723 -19.082 -9.968 773 1HZ LYS 105 1HZ LYS 105 -10.778 -18.275 -7.762 774 2HZ LYS 105 2HZ LYS 105 -12.254 -19.074 -8.009 775 3HZ LYS 105 3HZ LYS 105 -12.192 -17.380 -8.035 776 H LEU 106 H LEU 106 -5.909 -14.295 -11.245 777 HA LEU 106 HA LEU 106 -4.396 -16.813 -11.337 778 1HB LEU 106 1HB LEU 106 -3.648 -14.183 -12.610 779 2HB LEU 106 2HB LEU 106 -2.658 -15.629 -12.601 780 HG LEU 106 HG LEU 106 -5.346 -15.381 -13.956 781 1HD1 LEU 106 1HD1 LEU 106 -3.634 -14.018 -15.031 782 2HD1 LEU 106 2HD1 LEU 106 -4.058 -15.410 -16.029 783 3HD1 LEU 106 3HD1 LEU 106 -2.558 -15.415 -15.102 784 1HD2 LEU 106 1HD2 LEU 106 -3.292 -17.597 -14.014 785 2HD2 LEU 106 2HD2 LEU 106 -4.774 -17.533 -14.969 786 3HD2 LEU 106 3HD2 LEU 106 -4.862 -17.660 -13.212 787 H LYS 107 H LYS 107 -2.742 -17.013 -10.061 788 HA LYS 107 HA LYS 107 -2.408 -15.015 -7.978 789 1HB LYS 107 1HB LYS 107 -2.153 -17.884 -8.039 790 2HB LYS 107 2HB LYS 107 -0.750 -17.130 -7.283 791 1HG LYS 107 1HG LYS 107 -2.632 -17.706 -5.726 792 2HG LYS 107 2HG LYS 107 -2.091 -16.026 -5.673 793 1HD LYS 107 1HD LYS 107 -3.973 -15.611 -7.399 794 2HD LYS 107 2HD LYS 107 -4.598 -17.169 -6.857 795 1HE LYS 107 1HE LYS 107 -4.734 -16.359 -4.578 796 2HE LYS 107 2HE LYS 107 -4.013 -14.823 -5.054 797 1HZ LYS 107 1HZ LYS 107 -6.421 -14.667 -4.841 798 2HZ LYS 107 2HZ LYS 107 -6.620 -15.872 -6.019 799 3HZ LYS 107 3HZ LYS 107 -5.940 -14.375 -6.440 800 H SER 108 H SER 108 -0.925 -13.644 -7.873 801 HA SER 108 HA SER 108 0.822 -13.034 -9.899 802 1HB SER 108 1HB SER 108 1.936 -11.634 -8.003 803 2HB SER 108 2HB SER 108 0.259 -11.304 -8.446 804 HG SER 108 HG SER 108 0.651 -13.248 -6.489 805 H GLU 109 H GLU 109 1.389 -14.935 -7.007 806 HA GLU 109 HA GLU 109 4.204 -15.011 -7.275 807 1HB GLU 109 1HB GLU 109 4.047 -16.838 -5.587 808 2HB GLU 109 2HB GLU 109 3.331 -15.302 -5.117 809 1HG GLU 109 1HG GLU 109 1.577 -17.271 -6.421 810 2HG GLU 109 2HG GLU 109 2.126 -17.613 -4.791 811 H PHE 110 H PHE 110 1.775 -16.590 -9.078 812 HA PHE 110 HA PHE 110 3.689 -18.707 -9.748 813 1HB PHE 110 1HB PHE 110 0.713 -18.453 -10.144 814 2HB PHE 110 2HB PHE 110 1.660 -19.787 -10.771 815 HD1 PHE 110 HD1 PHE 110 3.245 -20.879 -8.849 816 HD2 PHE 110 HD2 PHE 110 -0.427 -18.833 -8.222 817 HE1 PHE 110 HE1 PHE 110 2.957 -22.057 -6.707 818 HE2 PHE 110 HE2 PHE 110 -0.723 -19.995 -6.077 819 HZ PHE 110 HZ PHE 110 0.973 -21.615 -5.316 820 H VAL 111 H VAL 111 2.837 -15.700 -10.856 821 HA VAL 111 HA VAL 111 2.939 -16.557 -13.672 822 HB VAL 111 HB VAL 111 1.700 -14.529 -14.266 823 1HG1 VAL 111 1HG1 VAL 111 0.481 -16.600 -13.908 824 2HG1 VAL 111 2HG1 VAL 111 -0.476 -15.222 -13.363 825 3HG1 VAL 111 3HG1 VAL 111 0.349 -16.244 -12.186 826 1HG2 VAL 111 1HG2 VAL 111 0.636 -13.195 -12.517 827 2HG2 VAL 111 2HG2 VAL 111 2.394 -13.118 -12.412 828 3HG2 VAL 111 3HG2 VAL 111 1.486 -14.130 -11.288 829 H ARG 112 H ARG 112 3.538 -14.602 -15.132 830 HA ARG 112 HA ARG 112 5.703 -12.994 -14.088 831 1HB ARG 112 1HB ARG 112 7.078 -14.800 -14.524 832 2HB ARG 112 2HB ARG 112 6.103 -15.348 -15.882 833 1HG ARG 112 1HG ARG 112 7.039 -13.805 -17.337 834 2HG ARG 112 2HG ARG 112 7.643 -12.786 -16.027 835 1HD ARG 112 1HD ARG 112 9.166 -14.679 -15.402 836 2HD ARG 112 2HD ARG 112 8.650 -15.482 -16.879 837 HE ARG 112 HE ARG 112 9.553 -12.884 -17.490 838 1HH1 ARG 112 1HH1 ARG 112 10.790 -16.023 -16.519 839 2HH1 ARG 112 2HH1 ARG 112 12.360 -15.754 -17.209 840 1HH2 ARG 112 1HH2 ARG 112 11.615 -12.542 -18.396 841 2HH2 ARG 112 2HH2 ARG 112 12.826 -13.784 -18.270 842 H LYS 113 H LYS 113 5.729 -11.097 -15.070 843 HA LYS 113 HA LYS 113 4.056 -10.412 -17.210 844 1HB LYS 113 1HB LYS 113 4.874 -8.824 -15.503 845 2HB LYS 113 2HB LYS 113 6.494 -8.964 -16.174 846 1HG LYS 113 1HG LYS 113 5.694 -8.044 -18.291 847 2HG LYS 113 2HG LYS 113 4.075 -7.891 -17.603 848 1HD LYS 113 1HD LYS 113 5.008 -6.408 -15.856 849 2HD LYS 113 2HD LYS 113 6.576 -6.498 -16.664 850 1HE LYS 113 1HE LYS 113 5.606 -5.526 -18.676 851 2HE LYS 113 2HE LYS 113 4.027 -5.464 -17.892 852 1HZ LYS 113 1HZ LYS 113 5.073 -3.318 -17.779 853 2HZ LYS 113 2HZ LYS 113 6.468 -3.979 -17.082 854 3HZ LYS 113 3HZ LYS 113 5.011 -3.974 -16.215 855 H VAL 114 H VAL 114 4.289 -10.843 -19.266 856 HA VAL 114 HA VAL 114 6.795 -11.613 -20.442 857 HB VAL 114 HB VAL 114 4.179 -10.990 -21.830 858 1HG1 VAL 114 1HG1 VAL 114 6.095 -10.995 -23.331 859 2HG1 VAL 114 2HG1 VAL 114 5.063 -12.394 -23.629 860 3HG1 VAL 114 3HG1 VAL 114 6.573 -12.586 -22.737 861 1HG2 VAL 114 1HG2 VAL 114 3.784 -13.411 -21.799 862 2HG2 VAL 114 2HG2 VAL 114 3.847 -12.731 -20.173 863 3HG2 VAL 114 3HG2 VAL 114 5.228 -13.626 -20.809 864 H GLY 115 H GLY 115 4.613 -8.820 -20.595 865 1HA GLY 115 1HA GLY 115 5.120 -6.611 -21.069 866 2HA GLY 115 2HA GLY 115 6.790 -7.082 -21.345 867 H SER 116 H SER 116 4.646 -9.027 -23.062 868 HA SER 116 HA SER 116 4.553 -7.329 -25.408 869 1HB SER 116 1HB SER 116 6.801 -8.460 -25.453 870 2HB SER 116 2HB SER 116 5.961 -10.009 -25.517 871 HG SER 116 HG SER 116 5.299 -8.022 -27.391
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