NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
4292 | 1f3c | 4911 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -27.509 0.205 9.161 2 2H MET 1 2HT MET 1 -27.068 1.790 8.672 3 3H MET 1 3HT MET 1 -26.014 0.873 9.668 4 HA MET 1 HA MET 1 -25.226 -0.325 8.010 5 1HB MET 1 2HB MET 1 -27.907 -0.799 7.611 6 2HB MET 1 1HB MET 1 -27.426 -0.066 6.088 7 1HG MET 1 2HG MET 1 -25.421 -1.841 6.447 8 2HG MET 1 1HG MET 1 -26.761 -2.688 7.220 9 1HE MET 1 1HE MET 1 -26.268 -4.216 3.555 10 2HE MET 1 2HE MET 1 -26.318 -4.638 5.267 11 3HE MET 1 3HE MET 1 -25.043 -3.583 4.656 12 H CYS 2 H CYS 2 -24.373 2.091 8.227 13 HA CYS 2 HA CYS 2 -24.339 3.146 5.486 14 1HB CYS 2 2HB CYS 2 -25.170 5.132 6.088 15 2HB CYS 2 1HB CYS 2 -25.526 4.450 7.671 16 HG CYS 2 HG CYS 2 -24.092 6.490 8.157 17 H ASP 3 H ASP 3 -22.356 3.472 4.707 18 HA ASP 3 HA ASP 3 -20.082 2.974 6.435 19 1HB ASP 3 2HB ASP 3 -19.351 3.708 3.744 20 2HB ASP 3 1HB ASP 3 -19.141 2.168 4.570 21 H ARG 4 H ARG 4 -18.593 4.729 4.307 22 HA ARG 4 HA ARG 4 -17.544 6.752 4.380 23 1HB ARG 4 2HB ARG 4 -19.771 7.380 3.449 24 2HB ARG 4 1HB ARG 4 -20.308 7.757 5.080 25 1HG ARG 4 2HG ARG 4 -18.823 9.579 5.257 26 2HG ARG 4 1HG ARG 4 -17.927 9.084 3.820 27 1HD ARG 4 2HD ARG 4 -19.342 10.140 2.453 28 2HD ARG 4 1HD ARG 4 -20.754 9.491 3.285 29 HE ARG 4 HE ARG 4 -19.289 11.766 4.428 30 1HH1 ARG 4 1HH1 ARG 4 -22.191 10.400 3.073 31 2HH1 ARG 4 2HH1 ARG 4 -23.188 11.743 3.521 32 1HH2 ARG 4 1HH2 ARG 4 -20.592 13.540 5.024 33 2HH2 ARG 4 2HH2 ARG 4 -22.278 13.529 4.631 34 H LYS 5 H LYS 5 -18.286 5.221 7.019 35 HA LYS 5 HA LYS 5 -18.242 7.265 9.022 36 1HB LYS 5 2HB LYS 5 -19.274 5.127 9.506 37 2HB LYS 5 1HB LYS 5 -17.763 4.285 9.191 38 1HG LYS 5 2HG LYS 5 -17.739 4.342 11.470 39 2HG LYS 5 1HG LYS 5 -16.869 5.835 11.111 40 1HD LYS 5 2HD LYS 5 -18.712 7.172 11.626 41 2HD LYS 5 1HD LYS 5 -19.845 5.827 11.478 42 1HE LYS 5 2HE LYS 5 -19.678 6.160 13.780 43 2HE LYS 5 1HE LYS 5 -18.589 4.809 13.469 44 1HZ LYS 5 1HZ LYS 5 -17.020 5.987 14.470 45 2HZ LYS 5 2HZ LYS 5 -18.002 7.362 14.558 46 3HZ LYS 5 3HZ LYS 5 -17.060 7.084 13.182 47 H ALA 6 H ALA 6 -16.163 7.751 7.265 48 HA ALA 6 HA ALA 6 -13.770 6.998 8.800 49 1HB ALA 6 1HB ALA 6 -12.469 7.276 6.850 50 2HB ALA 6 2HB ALA 6 -13.782 8.093 6.001 51 3HB ALA 6 3HB ALA 6 -13.898 6.369 6.355 52 H VAL 7 H VAL 7 -11.992 8.853 8.063 53 HA VAL 7 HA VAL 7 -13.158 11.481 8.617 54 HB VAL 7 HB VAL 7 -10.882 10.277 10.198 55 1HG1 VAL 7 1HG1 VAL 7 -11.952 13.069 10.016 56 2HG1 VAL 7 2HG1 VAL 7 -10.280 12.511 9.963 57 3HG1 VAL 7 3HG1 VAL 7 -11.168 12.492 11.486 58 1HG2 VAL 7 1HG2 VAL 7 -13.077 11.352 11.728 59 2HG2 VAL 7 2HG2 VAL 7 -12.362 9.740 11.768 60 3HG2 VAL 7 3HG2 VAL 7 -13.636 10.111 10.606 61 H ILE 8 H ILE 8 -12.627 11.683 6.318 62 HA ILE 8 HA ILE 8 -10.234 11.396 5.083 63 HB ILE 8 HB ILE 8 -12.524 13.193 4.704 64 1HG1 ILE 8 2HG1 ILE 8 -11.876 12.512 2.263 65 2HG1 ILE 8 1HG1 ILE 8 -10.792 11.381 3.067 66 1HG2 ILE 8 1HG2 ILE 8 -9.886 13.980 3.468 67 2HG2 ILE 8 2HG2 ILE 8 -10.772 14.903 4.681 68 3HG2 ILE 8 3HG2 ILE 8 -11.462 14.665 3.076 69 1HD1 ILE 8 1HD1 ILE 8 -13.517 11.348 4.112 70 2HD1 ILE 8 2HD1 ILE 8 -12.461 10.017 3.638 71 3HD1 ILE 8 3HD1 ILE 8 -13.387 10.887 2.415 72 H LYS 9 H LYS 9 -8.403 12.665 4.716 73 HA LYS 9 HA LYS 9 -7.922 14.882 6.576 74 1HB LYS 9 2HB LYS 9 -5.778 12.829 6.132 75 2HB LYS 9 1HB LYS 9 -5.924 14.010 7.424 76 1HG LYS 9 2HG LYS 9 -8.151 12.177 7.439 77 2HG LYS 9 1HG LYS 9 -6.609 11.321 7.520 78 1HD LYS 9 2HD LYS 9 -5.933 12.678 9.422 79 2HD LYS 9 1HD LYS 9 -7.431 13.603 9.318 80 1HE LYS 9 2HE LYS 9 -8.610 12.027 10.387 81 2HE LYS 9 1HE LYS 9 -7.854 10.720 9.477 82 1HZ LYS 9 1HZ LYS 9 -7.452 11.130 12.072 83 2HZ LYS 9 2HZ LYS 9 -6.167 12.031 11.442 84 3HZ LYS 9 3HZ LYS 9 -6.313 10.390 11.064 85 H ASN 10 H ASN 10 -7.664 13.473 3.531 86 HA ASN 10 HA ASN 10 -6.710 15.803 2.287 87 1HB ASN 10 2HB ASN 10 -4.654 14.092 3.310 88 2HB ASN 10 1HB ASN 10 -4.607 14.045 1.551 89 1HD2 ASN 10 1HD2 ASN 10 -5.481 16.635 1.011 90 2HD2 ASN 10 2HD2 ASN 10 -4.266 17.747 1.531 91 H ALA 11 H ALA 11 -7.953 15.668 0.530 92 HA ALA 11 HA ALA 11 -7.879 13.167 -1.014 93 1HB ALA 11 1HB ALA 11 -10.278 13.483 -1.554 94 2HB ALA 11 2HB ALA 11 -10.332 14.800 -0.381 95 3HB ALA 11 3HB ALA 11 -9.978 13.156 0.152 96 H ASP 12 H ASP 12 -7.963 13.346 -3.211 97 HA ASP 12 HA ASP 12 -8.113 16.011 -4.394 98 1HB ASP 12 2HB ASP 12 -5.697 14.526 -4.085 99 2HB ASP 12 1HB ASP 12 -6.108 14.542 -5.799 100 H MET 13 H MET 13 -9.820 13.628 -4.220 101 HA MET 13 HA MET 13 -10.042 12.990 -7.087 102 1HB MET 13 2HB MET 13 -9.573 10.962 -5.951 103 2HB MET 13 1HB MET 13 -10.677 11.352 -4.639 104 1HG MET 13 2HG MET 13 -12.545 10.795 -5.860 105 2HG MET 13 1HG MET 13 -11.736 11.037 -7.406 106 1HE MET 13 1HE MET 13 -10.249 8.330 -4.429 107 2HE MET 13 2HE MET 13 -11.799 7.513 -4.626 108 3HE MET 13 3HE MET 13 -11.753 9.222 -4.193 109 H SER 14 H SER 14 -12.322 12.468 -7.762 110 HA SER 14 HA SER 14 -13.992 14.641 -7.433 111 1HB SER 14 2HB SER 14 -14.702 11.797 -8.184 112 2HB SER 14 1HB SER 14 -15.797 13.168 -8.357 113 HG SER 14 HG SER 14 -14.071 12.360 -10.107 114 H GLU 15 H GLU 15 -15.567 15.225 -6.027 115 HA GLU 15 HA GLU 15 -15.611 14.478 -3.426 116 1HB GLU 15 2HB GLU 15 -17.239 16.065 -5.087 117 2HB GLU 15 1HB GLU 15 -18.333 14.993 -4.223 118 1HG GLU 15 2HG GLU 15 -16.212 16.480 -2.742 119 2HG GLU 15 1HG GLU 15 -17.708 17.288 -3.206 120 H GLU 16 H GLU 16 -18.389 13.494 -5.408 121 HA GLU 16 HA GLU 16 -19.294 11.464 -3.821 122 1HB GLU 16 2HB GLU 16 -19.303 11.262 -6.831 123 2HB GLU 16 1HB GLU 16 -20.489 10.619 -5.701 124 1HG GLU 16 2HG GLU 16 -21.680 12.467 -5.869 125 2HG GLU 16 1HG GLU 16 -20.312 13.423 -5.303 126 H MET 17 H MET 17 -16.409 11.533 -5.653 127 HA MET 17 HA MET 17 -16.073 8.679 -5.843 128 1HB MET 17 2HB MET 17 -14.419 11.076 -6.509 129 2HB MET 17 1HB MET 17 -13.610 9.527 -6.322 130 1HG MET 17 2HG MET 17 -15.920 9.204 -7.973 131 2HG MET 17 1HG MET 17 -14.936 10.533 -8.582 132 1HE MET 17 1HE MET 17 -13.150 7.626 -6.583 133 2HE MET 17 2HE MET 17 -13.161 6.349 -7.798 134 3HE MET 17 3HE MET 17 -14.681 6.931 -7.119 135 H GLN 18 H GLN 18 -14.850 11.291 -3.794 136 HA GLN 18 HA GLN 18 -13.123 9.647 -2.248 137 1HB GLN 18 2HB GLN 18 -13.749 11.766 -0.608 138 2HB GLN 18 1HB GLN 18 -12.442 11.733 -1.784 139 1HG GLN 18 2HG GLN 18 -14.667 12.448 -3.266 140 2HG GLN 18 1HG GLN 18 -14.857 13.315 -1.742 141 1HE2 GLN 18 1HE2 GLN 18 -11.644 12.680 -2.250 142 2HE2 GLN 18 2HE2 GLN 18 -11.172 14.187 -2.951 143 H GLN 19 H GLN 19 -16.508 10.408 -2.127 144 HA GLN 19 HA GLN 19 -16.935 9.480 0.552 145 1HB GLN 19 2HB GLN 19 -19.271 9.778 0.101 146 2HB GLN 19 1HB GLN 19 -18.423 11.124 -0.652 147 1HG GLN 19 2HG GLN 19 -18.699 10.233 -2.806 148 2HG GLN 19 1HG GLN 19 -19.166 8.654 -2.179 149 1HE2 GLN 19 1HE2 GLN 19 -20.568 10.977 -0.294 150 2HE2 GLN 19 2HE2 GLN 19 -22.115 11.063 -1.059 151 H ASP 20 H ASP 20 -17.427 8.221 -2.705 152 HA ASP 20 HA ASP 20 -18.446 5.709 -1.900 153 1HB ASP 20 2HB ASP 20 -17.675 7.006 -4.396 154 2HB ASP 20 1HB ASP 20 -17.251 5.296 -4.376 155 H SER 21 H SER 21 -15.263 7.029 -2.341 156 HA SER 21 HA SER 21 -13.803 4.610 -2.412 157 1HB SER 21 2HB SER 21 -12.747 6.673 -3.112 158 2HB SER 21 1HB SER 21 -13.002 7.392 -1.522 159 HG SER 21 HG SER 21 -11.655 5.590 -0.737 160 H VAL 22 H VAL 22 -14.669 6.821 0.226 161 HA VAL 22 HA VAL 22 -13.408 5.458 2.309 162 HB VAL 22 HB VAL 22 -15.990 7.019 2.463 163 1HG1 VAL 22 1HG1 VAL 22 -15.969 6.296 4.578 164 2HG1 VAL 22 2HG1 VAL 22 -14.608 7.395 4.805 165 3HG1 VAL 22 3HG1 VAL 22 -14.317 5.693 4.448 166 1HG2 VAL 22 1HG2 VAL 22 -13.397 8.226 3.231 167 2HG2 VAL 22 2HG2 VAL 22 -14.818 8.964 2.492 168 3HG2 VAL 22 3HG2 VAL 22 -13.702 8.019 1.506 169 H GLU 23 H GLU 23 -16.731 5.153 1.075 170 HA GLU 23 HA GLU 23 -17.583 3.171 2.874 171 1HB GLU 23 2HB GLU 23 -18.516 3.441 0.015 172 2HB GLU 23 1HB GLU 23 -19.417 2.800 1.383 173 1HG GLU 23 2HG GLU 23 -19.457 5.023 2.396 174 2HG GLU 23 1HG GLU 23 -18.559 5.662 1.021 175 H CYS 24 H CYS 24 -15.907 2.980 -0.217 176 HA CYS 24 HA CYS 24 -16.054 0.163 -0.498 177 1HB CYS 24 2HB CYS 24 -14.214 2.258 -1.649 178 2HB CYS 24 1HB CYS 24 -14.009 0.547 -2.010 179 HG CYS 24 HG CYS 24 -15.827 2.306 -3.474 180 H ALA 25 H ALA 25 -13.895 2.350 1.164 181 HA ALA 25 HA ALA 25 -11.877 0.428 1.785 182 1HB ALA 25 1HB ALA 25 -11.944 3.113 1.911 183 2HB ALA 25 2HB ALA 25 -10.820 2.140 2.860 184 3HB ALA 25 3HB ALA 25 -12.308 2.737 3.596 185 H THR 26 H THR 26 -14.754 1.699 3.271 186 HA THR 26 HA THR 26 -14.566 0.358 5.746 187 HB THR 26 HB THR 26 -16.918 1.469 4.215 188 HG1 THR 26 1HG THR 26 -16.676 3.202 5.585 189 1HG2 THR 26 1HG2 THR 26 -17.396 1.422 6.999 190 2HG2 THR 26 2HG2 THR 26 -16.992 -0.213 6.472 191 3HG2 THR 26 3HG2 THR 26 -18.316 0.662 5.700 192 H GLN 27 H GLN 27 -15.997 -0.432 2.628 193 HA GLN 27 HA GLN 27 -17.407 -2.735 3.344 194 1HB GLN 27 2HB GLN 27 -16.076 -1.907 0.767 195 2HB GLN 27 1HB GLN 27 -16.993 -3.400 0.910 196 1HG GLN 27 2HG GLN 27 -18.057 -0.622 1.372 197 2HG GLN 27 1HG GLN 27 -18.333 -1.618 -0.057 198 1HE2 GLN 27 1HE2 GLN 27 -20.427 -2.086 0.003 199 2HE2 GLN 27 2HE2 GLN 27 -21.261 -2.793 1.341 200 H ALA 28 H ALA 28 -14.048 -2.240 2.412 201 HA ALA 28 HA ALA 28 -13.328 -5.003 2.471 202 1HB ALA 28 1HB ALA 28 -12.123 -2.687 1.594 203 2HB ALA 28 2HB ALA 28 -11.357 -4.273 1.691 204 3HB ALA 28 3HB ALA 28 -11.168 -3.120 3.010 205 H LEU 29 H LEU 29 -13.564 -2.429 4.779 206 HA LEU 29 HA LEU 29 -12.011 -3.629 6.830 207 1HB LEU 29 2HB LEU 29 -14.016 -1.401 6.762 208 2HB LEU 29 1HB LEU 29 -13.321 -1.955 8.275 209 HG LEU 29 HG LEU 29 -11.273 -1.428 6.288 210 1HD1 LEU 29 1HD1 LEU 29 -12.510 1.086 7.212 211 2HD1 LEU 29 2HD1 LEU 29 -13.310 0.247 5.883 212 3HD1 LEU 29 3HD1 LEU 29 -11.620 0.730 5.732 213 1HD2 LEU 29 1HD2 LEU 29 -11.645 -1.357 9.069 214 2HD2 LEU 29 2HD2 LEU 29 -11.241 0.287 8.576 215 3HD2 LEU 29 3HD2 LEU 29 -10.163 -1.047 8.166 216 H GLU 30 H GLU 30 -15.461 -3.522 6.081 217 HA GLU 30 HA GLU 30 -16.310 -4.900 8.411 218 1HB GLU 30 2HB GLU 30 -17.528 -3.962 5.902 219 2HB GLU 30 1HB GLU 30 -18.289 -5.386 6.598 220 1HG GLU 30 2HG GLU 30 -17.990 -3.743 8.770 221 2HG GLU 30 1HG GLU 30 -18.353 -2.611 7.468 222 H LYS 31 H LYS 31 -15.374 -5.932 5.179 223 HA LYS 31 HA LYS 31 -16.147 -8.670 5.622 224 1HB LYS 31 2HB LYS 31 -14.734 -7.198 3.423 225 2HB LYS 31 1HB LYS 31 -14.717 -8.956 3.459 226 1HG LYS 31 2HG LYS 31 -16.808 -9.097 2.713 227 2HG LYS 31 1HG LYS 31 -17.381 -7.850 3.822 228 1HD LYS 31 2HD LYS 31 -17.134 -6.193 2.298 229 2HD LYS 31 1HD LYS 31 -15.696 -6.925 1.581 230 1HE LYS 31 2HE LYS 31 -17.053 -7.415 -0.136 231 2HE LYS 31 1HE LYS 31 -17.625 -8.722 0.900 232 1HZ LYS 31 1HZ LYS 31 -18.912 -6.165 1.328 233 2HZ LYS 31 2HZ LYS 31 -19.586 -7.714 1.228 234 3HZ LYS 31 3HZ LYS 31 -19.209 -6.863 -0.184 235 H TYR 32 H TYR 32 -13.329 -6.722 6.096 236 HA TYR 32 HA TYR 32 -12.010 -8.897 7.455 237 1HB TYR 32 2HB TYR 32 -10.058 -7.739 5.660 238 2HB TYR 32 1HB TYR 32 -10.448 -9.432 5.941 239 HD1 TYR 32 1HD TYR 32 -11.142 -6.490 3.859 240 HD2 TYR 32 2HD TYR 32 -11.967 -10.616 4.482 241 HE1 TYR 32 1HE TYR 32 -12.153 -6.619 1.621 242 HE2 TYR 32 2HE TYR 32 -12.978 -10.758 2.246 243 HH TYR 32 HH TYR 32 -13.522 -9.663 0.396 244 H ASN 33 H ASN 33 -10.521 -8.201 8.963 245 HA ASN 33 HA ASN 33 -10.339 -5.281 9.275 246 1HB ASN 33 2HB ASN 33 -10.813 -7.475 11.153 247 2HB ASN 33 1HB ASN 33 -9.565 -6.357 11.695 248 1HD2 ASN 33 1HD2 ASN 33 -10.291 -4.772 12.901 249 2HD2 ASN 33 2HD2 ASN 33 -11.858 -4.050 12.809 250 H ILE 34 H ILE 34 -8.594 -6.900 7.596 251 HA ILE 34 HA ILE 34 -6.035 -6.604 9.028 252 HB ILE 34 HB ILE 34 -6.380 -8.122 6.458 253 1HG1 ILE 34 2HG1 ILE 34 -7.962 -9.011 8.168 254 2HG1 ILE 34 1HG1 ILE 34 -6.714 -10.163 7.697 255 1HG2 ILE 34 1HG2 ILE 34 -4.116 -7.680 6.951 256 2HG2 ILE 34 2HG2 ILE 34 -4.398 -9.354 7.429 257 3HG2 ILE 34 3HG2 ILE 34 -4.331 -8.087 8.654 258 1HD1 ILE 34 1HD1 ILE 34 -5.478 -9.146 9.779 259 2HD1 ILE 34 2HD1 ILE 34 -6.678 -10.427 9.949 260 3HD1 ILE 34 3HD1 ILE 34 -7.126 -8.750 10.266 261 H GLU 35 H GLU 35 -5.102 -4.708 8.576 262 HA GLU 35 HA GLU 35 -5.571 -2.788 6.842 263 1HB GLU 35 2HB GLU 35 -2.743 -3.802 7.143 264 2HB GLU 35 1HB GLU 35 -3.257 -2.150 6.832 265 1HG GLU 35 2HG GLU 35 -2.928 -1.912 9.036 266 2HG GLU 35 1HG GLU 35 -4.543 -2.610 9.147 267 H LYS 36 H LYS 36 -2.890 -4.818 5.755 268 HA LYS 36 HA LYS 36 -2.914 -4.312 3.121 269 1HB LYS 36 2HB LYS 36 -2.716 -7.200 3.575 270 2HB LYS 36 1HB LYS 36 -1.526 -6.079 2.929 271 1HG LYS 36 2HG LYS 36 -0.409 -6.150 4.835 272 2HG LYS 36 1HG LYS 36 -1.823 -5.544 5.700 273 1HD LYS 36 2HD LYS 36 -1.154 -7.631 6.686 274 2HD LYS 36 1HD LYS 36 -2.675 -7.875 5.823 275 1HE LYS 36 2HE LYS 36 -1.522 -9.693 5.071 276 2HE LYS 36 1HE LYS 36 -1.035 -8.517 3.851 277 1HZ LYS 36 1HZ LYS 36 0.653 -8.518 6.178 278 2HZ LYS 36 2HZ LYS 36 1.072 -8.585 4.540 279 3HZ LYS 36 3HZ LYS 36 0.650 -10.001 5.362 280 H ASP 37 H ASP 37 -4.986 -6.744 4.683 281 HA ASP 37 HA ASP 37 -6.312 -7.703 2.450 282 1HB ASP 37 2HB ASP 37 -6.473 -8.290 5.043 283 2HB ASP 37 1HB ASP 37 -7.896 -7.257 4.940 284 H ILE 38 H ILE 38 -7.584 -5.217 4.669 285 HA ILE 38 HA ILE 38 -9.764 -4.378 3.252 286 HB ILE 38 HB ILE 38 -7.958 -2.378 4.587 287 1HG1 ILE 38 2HG1 ILE 38 -9.935 -4.050 6.114 288 2HG1 ILE 38 1HG1 ILE 38 -8.277 -4.601 5.889 289 1HG2 ILE 38 1HG2 ILE 38 -10.958 -2.625 4.618 290 2HG2 ILE 38 2HG2 ILE 38 -10.062 -1.662 3.442 291 3HG2 ILE 38 3HG2 ILE 38 -9.983 -1.258 5.158 292 1HD1 ILE 38 1HD1 ILE 38 -8.045 -3.537 7.873 293 2HD1 ILE 38 2HD1 ILE 38 -9.336 -2.385 7.535 294 3HD1 ILE 38 3HD1 ILE 38 -7.747 -2.172 6.798 295 H ALA 39 H ALA 39 -6.428 -3.222 2.894 296 HA ALA 39 HA ALA 39 -6.859 -1.279 0.949 297 1HB ALA 39 1HB ALA 39 -4.444 -3.049 1.321 298 2HB ALA 39 2HB ALA 39 -4.748 -1.513 2.134 299 3HB ALA 39 3HB ALA 39 -4.487 -1.551 0.390 300 H ALA 40 H ALA 40 -5.999 -4.710 0.520 301 HA ALA 40 HA ALA 40 -5.961 -4.739 -2.269 302 1HB ALA 40 1HB ALA 40 -5.451 -6.574 -0.366 303 2HB ALA 40 2HB ALA 40 -5.655 -6.967 -2.073 304 3HB ALA 40 3HB ALA 40 -7.006 -7.162 -0.956 305 H HIS 41 H HIS 41 -8.622 -5.686 -0.094 306 HA HIS 41 HA HIS 41 -10.569 -6.268 -1.927 307 1HB HIS 41 2HB HIS 41 -11.161 -6.649 0.300 308 2HB HIS 41 1HB HIS 41 -10.677 -5.036 0.809 309 HD1 HIS 41 1HD HIS 41 -13.595 -6.903 0.527 310 HD2 HIS 41 2HD HIS 41 -12.565 -3.073 -0.705 311 HE1 HIS 41 1HE HIS 41 -15.775 -5.688 0.221 312 HE2 HIS 41 2HE HIS 41 -15.126 -3.358 -0.487 313 H ILE 42 H ILE 42 -9.738 -3.057 -0.652 314 HA ILE 42 HA ILE 42 -11.694 -1.603 -2.042 315 HB ILE 42 HB ILE 42 -8.947 -0.632 -1.241 316 1HG1 ILE 42 2HG1 ILE 42 -11.503 -0.383 0.345 317 2HG1 ILE 42 1HG1 ILE 42 -10.367 -1.707 0.586 318 1HG2 ILE 42 1HG2 ILE 42 -10.943 0.629 -2.713 319 2HG2 ILE 42 2HG2 ILE 42 -9.558 1.391 -1.931 320 3HG2 ILE 42 3HG2 ILE 42 -11.101 1.282 -1.082 321 1HD1 ILE 42 1HD1 ILE 42 -8.823 -0.378 1.592 322 2HD1 ILE 42 2HD1 ILE 42 -10.291 0.491 2.042 323 3HD1 ILE 42 3HD1 ILE 42 -9.309 1.060 0.693 324 H LYS 43 H LYS 43 -8.215 -1.507 -2.793 325 HA LYS 43 HA LYS 43 -8.286 -0.392 -5.259 326 1HB LYS 43 2HB LYS 43 -6.189 -0.911 -4.200 327 2HB LYS 43 1HB LYS 43 -6.511 -2.637 -4.297 328 1HG LYS 43 2HG LYS 43 -6.314 -0.953 -6.764 329 2HG LYS 43 1HG LYS 43 -4.879 -1.613 -5.978 330 1HD LYS 43 2HD LYS 43 -5.311 -3.709 -6.679 331 2HD LYS 43 1HD LYS 43 -7.047 -3.546 -6.404 332 1HE LYS 43 2HE LYS 43 -7.393 -2.522 -8.484 333 2HE LYS 43 1HE LYS 43 -5.679 -2.167 -8.692 334 1HZ LYS 43 1HZ LYS 43 -5.225 -4.467 -9.044 335 2HZ LYS 43 2HZ LYS 43 -6.501 -4.036 -10.067 336 3HZ LYS 43 3HZ LYS 43 -6.810 -4.911 -8.654 337 H LYS 44 H LYS 44 -8.888 -3.795 -4.509 338 HA LYS 44 HA LYS 44 -8.991 -4.826 -7.083 339 1HB LYS 44 2HB LYS 44 -9.075 -6.151 -4.971 340 2HB LYS 44 1HB LYS 44 -10.749 -5.651 -4.771 341 1HG LYS 44 2HG LYS 44 -11.117 -7.641 -5.774 342 2HG LYS 44 1HG LYS 44 -10.922 -6.661 -7.229 343 1HD LYS 44 2HD LYS 44 -8.551 -7.296 -7.324 344 2HD LYS 44 1HD LYS 44 -8.769 -8.297 -5.887 345 1HE LYS 44 2HE LYS 44 -10.613 -9.471 -7.244 346 2HE LYS 44 1HE LYS 44 -9.880 -8.692 -8.645 347 1HZ LYS 44 1HZ LYS 44 -8.256 -10.292 -6.767 348 2HZ LYS 44 2HZ LYS 44 -7.915 -9.876 -8.370 349 3HZ LYS 44 3HZ LYS 44 -9.106 -11.029 -8.032 350 H GLU 45 H GLU 45 -11.808 -3.872 -5.132 351 HA GLU 45 HA GLU 45 -13.646 -4.000 -7.252 352 1HB GLU 45 2HB GLU 45 -13.670 -2.708 -4.549 353 2HB GLU 45 1HB GLU 45 -14.982 -2.398 -5.679 354 1HG GLU 45 2HG GLU 45 -15.613 -4.178 -4.209 355 2HG GLU 45 1HG GLU 45 -15.380 -4.826 -5.832 356 H PHE 46 H PHE 46 -12.007 -1.195 -5.798 357 HA PHE 46 HA PHE 46 -13.129 0.794 -7.371 358 1HB PHE 46 2HB PHE 46 -10.855 0.539 -5.599 359 2HB PHE 46 1HB PHE 46 -10.474 1.586 -6.962 360 HD1 PHE 46 1HD PHE 46 -11.475 3.733 -7.192 361 HD2 PHE 46 2HD PHE 46 -12.695 1.107 -4.073 362 HE1 PHE 46 1HE PHE 46 -12.673 5.586 -6.104 363 HE2 PHE 46 2HE PHE 46 -13.896 2.955 -2.981 364 HZ PHE 46 HZ PHE 46 -13.886 5.198 -3.997 365 H ASP 47 H ASP 47 -10.463 -1.386 -8.081 366 HA ASP 47 HA ASP 47 -9.632 -0.046 -10.456 367 1HB ASP 47 2HB ASP 47 -8.009 -1.427 -9.432 368 2HB ASP 47 1HB ASP 47 -9.114 -2.795 -9.335 369 H LYS 48 H LYS 48 -11.846 -2.700 -9.761 370 HA LYS 48 HA LYS 48 -12.465 -2.943 -12.611 371 1HB LYS 48 2HB LYS 48 -12.666 -4.729 -10.270 372 2HB LYS 48 1HB LYS 48 -13.992 -4.846 -11.419 373 1HG LYS 48 2HG LYS 48 -11.591 -4.826 -12.908 374 2HG LYS 48 1HG LYS 48 -11.385 -5.966 -11.577 375 1HD LYS 48 2HD LYS 48 -12.306 -7.098 -13.518 376 2HD LYS 48 1HD LYS 48 -13.492 -7.063 -12.212 377 1HE LYS 48 2HE LYS 48 -14.943 -6.145 -13.619 378 2HE LYS 48 1HE LYS 48 -13.907 -4.721 -13.701 379 1HZ LYS 48 1HZ LYS 48 -12.928 -6.810 -15.367 380 2HZ LYS 48 2HZ LYS 48 -13.340 -5.220 -15.773 381 3HZ LYS 48 3HZ LYS 48 -14.526 -6.425 -15.765 382 H LYS 49 H LYS 49 -13.404 -0.936 -10.345 383 HA LYS 49 HA LYS 49 -16.209 -0.959 -11.222 384 1HB LYS 49 2HB LYS 49 -15.485 -1.553 -8.680 385 2HB LYS 49 1HB LYS 49 -15.653 0.192 -8.559 386 1HG LYS 49 2HG LYS 49 -17.872 -1.032 -9.971 387 2HG LYS 49 1HG LYS 49 -17.672 -1.668 -8.336 388 1HD LYS 49 2HD LYS 49 -18.727 0.146 -7.591 389 2HD LYS 49 1HD LYS 49 -17.324 1.091 -8.093 390 1HE LYS 49 2HE LYS 49 -19.101 2.152 -9.157 391 2HE LYS 49 1HE LYS 49 -18.430 1.113 -10.413 392 1HZ LYS 49 1HZ LYS 49 -20.466 -0.173 -8.846 393 2HZ LYS 49 2HZ LYS 49 -20.304 -0.062 -10.527 394 3HZ LYS 49 3HZ LYS 49 -21.032 1.198 -9.664 395 H TYR 50 H TYR 50 -13.428 0.610 -11.539 396 HA TYR 50 HA TYR 50 -14.767 3.165 -11.987 397 1HB TYR 50 2HB TYR 50 -12.272 2.840 -10.311 398 2HB TYR 50 1HB TYR 50 -12.850 4.383 -10.929 399 HD1 TYR 50 1HD TYR 50 -13.769 1.540 -8.727 400 HD2 TYR 50 2HD TYR 50 -14.496 5.600 -9.771 401 HE1 TYR 50 1HE TYR 50 -15.202 1.788 -6.744 402 HE2 TYR 50 2HE TYR 50 -15.930 5.859 -7.792 403 HH TYR 50 HH TYR 50 -16.492 4.906 -5.787 404 H ASN 51 H ASN 51 -11.422 1.924 -11.999 405 HA ASN 51 HA ASN 51 -10.982 1.460 -14.615 406 1HB ASN 51 2HB ASN 51 -10.472 3.434 -15.757 407 2HB ASN 51 1HB ASN 51 -11.897 3.883 -14.826 408 1HD2 ASN 51 1HD2 ASN 51 -11.757 5.479 -13.360 409 2HD2 ASN 51 2HD2 ASN 51 -10.310 6.351 -12.998 410 HA PRO 52 HA PRO 52 -7.336 0.467 -12.145 411 1HB PRO 52 2HB PRO 52 -6.468 -0.293 -14.898 412 2HB PRO 52 1HB PRO 52 -6.308 -1.185 -13.381 413 1HG PRO 52 2HG PRO 52 -8.170 -1.850 -15.159 414 2HG PRO 52 1HG PRO 52 -8.508 -1.905 -13.419 415 1HD PRO 52 2HD PRO 52 -9.407 0.059 -15.463 416 2HD PRO 52 1HD PRO 52 -10.224 -0.493 -13.987 417 H THR 53 H THR 53 -4.732 2.741 -12.852 418 HA THR 53 HA THR 53 -5.928 0.462 -11.433 419 HB THR 53 HB THR 53 -3.773 -0.112 -12.479 420 HG1 THR 53 1HG THR 53 -3.321 -1.262 -10.789 421 1HG2 THR 53 1HG2 THR 53 -2.496 1.854 -10.612 422 2HG2 THR 53 2HG2 THR 53 -2.801 2.195 -12.315 423 3HG2 THR 53 3HG2 THR 53 -1.729 0.871 -11.859 424 H TRP 54 H TRP 54 -6.317 0.679 -9.292 425 HA TRP 54 HA TRP 54 -5.844 3.326 -8.151 426 1HB TRP 54 2HB TRP 54 -7.618 1.058 -7.229 427 2HB TRP 54 1HB TRP 54 -7.486 2.622 -6.429 428 HD1 TRP 54 HD TRP 54 -8.480 1.253 -9.924 429 HE1 TRP 54 1HE TRP 54 -10.350 2.754 -10.855 430 HE3 TRP 54 3HE TRP 54 -8.698 4.703 -6.159 431 HZ2 TRP 54 2HZ TRP 54 -11.735 5.095 -10.092 432 HZ3 TRP 54 3HZ TRP 54 -10.321 6.543 -6.336 433 HH2 TRP 54 HH TRP 54 -11.807 6.734 -8.263 434 H HIS 55 H HIS 55 -4.326 3.693 -6.699 435 HA HIS 55 HA HIS 55 -3.110 1.401 -5.304 436 1HB HIS 55 2HB HIS 55 -1.710 3.996 -5.208 437 2HB HIS 55 1HB HIS 55 -1.070 2.383 -5.499 438 HD1 HIS 55 1HD HIS 55 -0.271 4.927 -7.157 439 HD2 HIS 55 2HD HIS 55 -3.077 2.083 -8.299 440 HE1 HIS 55 1HE HIS 55 -0.405 5.084 -9.662 441 HE2 HIS 55 2HE HIS 55 -2.177 3.420 -10.323 442 H CYS 56 H CYS 56 -4.229 1.207 -3.431 443 HA CYS 56 HA CYS 56 -4.591 3.655 -1.837 444 1HB CYS 56 2HB CYS 56 -6.621 2.872 -1.035 445 2HB CYS 56 1HB CYS 56 -6.634 2.318 -2.705 446 HG CYS 56 HG CYS 56 -7.368 0.426 -0.960 447 H ILE 57 H ILE 57 -4.350 3.564 0.399 448 HA ILE 57 HA ILE 57 -2.889 1.238 1.464 449 HB ILE 57 HB ILE 57 -2.202 4.106 2.116 450 1HG1 ILE 57 2HG1 ILE 57 -1.497 3.793 -0.135 451 2HG1 ILE 57 1HG1 ILE 57 -0.062 3.580 0.860 452 1HG2 ILE 57 1HG2 ILE 57 -1.798 2.327 3.848 453 2HG2 ILE 57 2HG2 ILE 57 -0.374 3.241 3.351 454 3HG2 ILE 57 3HG2 ILE 57 -0.637 1.612 2.730 455 1HD1 ILE 57 1HD1 ILE 57 -0.948 1.889 -1.111 456 2HD1 ILE 57 2HD1 ILE 57 -1.454 1.084 0.373 457 3HD1 ILE 57 3HD1 ILE 57 0.241 1.507 0.134 458 H VAL 58 H VAL 58 -4.189 0.396 2.971 459 HA VAL 58 HA VAL 58 -5.803 2.206 4.633 460 HB VAL 58 HB VAL 58 -7.162 0.576 3.529 461 1HG1 VAL 58 1HG1 VAL 58 -6.234 -1.340 2.901 462 2HG1 VAL 58 2HG1 VAL 58 -6.413 -1.899 4.565 463 3HG1 VAL 58 3HG1 VAL 58 -4.907 -1.141 4.046 464 1HG2 VAL 58 1HG2 VAL 58 -8.407 0.262 5.351 465 2HG2 VAL 58 2HG2 VAL 58 -7.051 0.878 6.295 466 3HG2 VAL 58 3HG2 VAL 58 -7.229 -0.858 6.036 467 H GLY 59 H GLY 59 -5.156 2.585 6.648 468 1HA GLY 59 2HA GLY 59 -4.125 0.474 8.310 469 2HA GLY 59 1HA GLY 59 -2.911 1.673 7.883 470 H ARG 60 H ARG 60 -3.283 1.492 10.460 471 HA ARG 60 HA ARG 60 -4.813 3.906 11.107 472 1HB ARG 60 2HB ARG 60 -5.354 2.629 13.332 473 2HB ARG 60 1HB ARG 60 -6.362 2.414 11.908 474 1HG ARG 60 2HG ARG 60 -4.869 0.400 11.389 475 2HG ARG 60 1HG ARG 60 -4.325 0.546 13.061 476 1HD ARG 60 2HD ARG 60 -7.225 0.655 12.771 477 2HD ARG 60 1HD ARG 60 -6.526 -0.857 12.196 478 HE ARG 60 HE ARG 60 -5.367 -0.394 14.646 479 1HH1 ARG 60 1HH1 ARG 60 -8.602 -0.803 13.422 480 2HH1 ARG 60 2HH1 ARG 60 -9.211 -1.487 14.892 481 1HH2 ARG 60 1HH2 ARG 60 -6.160 -1.289 16.589 482 2HH2 ARG 60 2HH2 ARG 60 -7.822 -1.762 16.693 483 H ASN 61 H ASN 61 -2.049 3.738 10.719 484 HA ASN 61 HA ASN 61 -1.018 5.104 12.839 485 1HB ASN 61 2HB ASN 61 -1.484 2.734 13.913 486 2HB ASN 61 1HB ASN 61 0.064 2.341 13.170 487 1HD2 ASN 61 1HD2 ASN 61 -1.565 4.294 15.542 488 2HD2 ASN 61 2HD2 ASN 61 -0.151 4.773 16.412 489 H PHE 62 H PHE 62 -0.857 4.560 9.927 490 HA PHE 62 HA PHE 62 2.055 4.249 9.666 491 1HB PHE 62 2HB PHE 62 1.739 3.460 7.480 492 2HB PHE 62 1HB PHE 62 0.423 2.718 8.385 493 HD1 PHE 62 1HD PHE 62 1.325 5.109 5.811 494 HD2 PHE 62 2HD PHE 62 -1.874 3.506 8.108 495 HE1 PHE 62 1HE PHE 62 -0.287 6.092 4.239 496 HE2 PHE 62 2HE PHE 62 -3.497 4.485 6.538 497 HZ PHE 62 HZ PHE 62 -2.704 5.780 4.599 498 H GLY 63 H GLY 63 2.410 5.417 7.205 499 1HA GLY 63 2HA GLY 63 1.343 8.128 7.326 500 2HA GLY 63 1HA GLY 63 3.078 7.963 7.564 501 H SER 64 H SER 64 0.539 8.121 5.296 502 HA SER 64 HA SER 64 2.100 7.046 3.108 503 1HB SER 64 2HB SER 64 0.144 7.572 1.719 504 2HB SER 64 1HB SER 64 -0.321 6.659 3.153 505 HG SER 64 HG SER 64 -0.752 9.368 2.545 506 H TYR 65 H TYR 65 3.196 8.143 1.619 507 HA TYR 65 HA TYR 65 2.854 11.005 1.297 508 1HB TYR 65 2HB TYR 65 4.517 10.797 3.126 509 2HB TYR 65 1HB TYR 65 5.540 9.836 2.064 510 HD1 TYR 65 1HD TYR 65 4.295 13.195 2.813 511 HD2 TYR 65 2HD TYR 65 6.757 10.876 0.233 512 HE1 TYR 65 1HE TYR 65 5.344 15.254 1.975 513 HE2 TYR 65 2HE TYR 65 7.816 12.929 -0.612 514 HH TYR 65 HH TYR 65 8.035 15.142 -0.318 515 H VAL 66 H VAL 66 2.148 10.431 -0.771 516 HA VAL 66 HA VAL 66 4.316 9.663 -2.605 517 HB VAL 66 HB VAL 66 2.850 8.281 -3.903 518 1HG1 VAL 66 1HG1 VAL 66 2.110 7.284 -1.219 519 2HG1 VAL 66 2HG1 VAL 66 3.826 7.561 -1.516 520 3HG1 VAL 66 3HG1 VAL 66 2.917 6.461 -2.554 521 1HG2 VAL 66 1HG2 VAL 66 0.513 7.824 -3.089 522 2HG2 VAL 66 2HG2 VAL 66 0.777 9.439 -3.748 523 3HG2 VAL 66 3HG2 VAL 66 0.702 9.200 -2.001 524 H THR 67 H THR 67 3.731 10.194 -4.920 525 HA THR 67 HA THR 67 2.664 12.902 -4.982 526 HB THR 67 HB THR 67 4.855 12.424 -6.022 527 HG1 THR 67 1HG THR 67 3.280 13.035 -8.213 528 1HG2 THR 67 1HG2 THR 67 4.366 11.378 -8.459 529 2HG2 THR 67 2HG2 THR 67 3.294 10.407 -7.452 530 3HG2 THR 67 3HG2 THR 67 5.020 10.473 -7.094 531 H HIS 68 H HIS 68 0.429 12.339 -4.745 532 HA HIS 68 HA HIS 68 -0.986 10.574 -6.357 533 1HB HIS 68 2HB HIS 68 -2.960 11.686 -5.630 534 2HB HIS 68 1HB HIS 68 -1.816 11.797 -4.297 535 HD1 HIS 68 1HD HIS 68 -0.467 14.193 -4.231 536 HD2 HIS 68 2HD HIS 68 -4.036 14.055 -6.346 537 HE1 HIS 68 1HE HIS 68 -1.195 16.589 -4.478 538 HE2 HIS 68 2HE HIS 68 -3.416 16.470 -5.662 539 H GLU 69 H GLU 69 -2.880 11.607 -7.824 540 HA GLU 69 HA GLU 69 -2.384 13.812 -9.431 541 1HB GLU 69 2HB GLU 69 -1.695 12.270 -11.511 542 2HB GLU 69 1HB GLU 69 -0.513 13.085 -10.494 543 1HG GLU 69 2HG GLU 69 -0.210 11.052 -9.193 544 2HG GLU 69 1HG GLU 69 -1.419 10.232 -10.181 545 H THR 70 H THR 70 -3.230 13.012 -11.915 546 HA THR 70 HA THR 70 -5.121 12.577 -13.095 547 HB THR 70 HB THR 70 -5.953 10.454 -11.175 548 HG1 THR 70 1HG THR 70 -3.441 10.688 -12.121 549 1HG2 THR 70 1HG2 THR 70 -5.898 10.798 -14.134 550 2HG2 THR 70 2HG2 THR 70 -7.228 10.316 -13.078 551 3HG2 THR 70 3HG2 THR 70 -5.925 9.179 -13.432 552 H LYS 71 H LYS 71 -6.842 11.256 -10.421 553 HA LYS 71 HA LYS 71 -7.901 13.544 -9.236 554 1HB LYS 71 2HB LYS 71 -9.002 12.954 -11.856 555 2HB LYS 71 1HB LYS 71 -10.245 12.907 -10.614 556 1HG LYS 71 2HG LYS 71 -9.841 15.146 -9.985 557 2HG LYS 71 1HG LYS 71 -8.340 15.209 -10.913 558 1HD LYS 71 2HD LYS 71 -10.895 14.608 -12.330 559 2HD LYS 71 1HD LYS 71 -10.553 16.272 -11.851 560 1HE LYS 71 2HE LYS 71 -9.597 16.271 -13.922 561 2HE LYS 71 1HE LYS 71 -8.218 15.739 -12.961 562 1HZ LYS 71 1HZ LYS 71 -8.784 13.443 -13.520 563 2HZ LYS 71 2HZ LYS 71 -8.480 14.359 -14.909 564 3HZ LYS 71 3HZ LYS 71 -10.072 13.981 -14.478 565 H HIS 72 H HIS 72 -7.158 10.732 -8.757 566 HA HIS 72 HA HIS 72 -9.565 9.977 -7.266 567 1HB HIS 72 2HB HIS 72 -7.911 7.919 -8.720 568 2HB HIS 72 1HB HIS 72 -9.478 7.703 -7.944 569 HD1 HIS 72 1HD HIS 72 -11.324 7.553 -9.569 570 HD2 HIS 72 2HD HIS 72 -8.231 9.943 -10.978 571 HE1 HIS 72 1HE HIS 72 -12.036 8.289 -11.865 572 HE2 HIS 72 2HE HIS 72 -10.107 9.657 -12.735 573 H PHE 73 H PHE 73 -7.677 11.262 -5.966 574 HA PHE 73 HA PHE 73 -6.228 9.156 -4.501 575 1HB PHE 73 2HB PHE 73 -4.426 10.260 -5.426 576 2HB PHE 73 1HB PHE 73 -5.274 11.798 -5.512 577 HD1 PHE 73 1HD PHE 73 -4.686 13.465 -4.041 578 HD2 PHE 73 2HD PHE 73 -3.901 9.416 -2.991 579 HE1 PHE 73 1HE PHE 73 -3.524 14.221 -2.007 580 HE2 PHE 73 2HE PHE 73 -2.738 10.164 -0.957 581 HZ PHE 73 HZ PHE 73 -2.549 12.569 -0.462 582 H ILE 74 H ILE 74 -7.872 8.964 -2.954 583 HA ILE 74 HA ILE 74 -8.403 11.380 -1.357 584 HB ILE 74 HB ILE 74 -10.381 10.228 -2.360 585 1HG1 ILE 74 2HG1 ILE 74 -10.016 10.612 0.596 586 2HG1 ILE 74 1HG1 ILE 74 -10.898 11.611 -0.550 587 1HG2 ILE 74 1HG2 ILE 74 -11.091 8.094 -1.566 588 2HG2 ILE 74 2HG2 ILE 74 -9.802 8.045 -0.363 589 3HG2 ILE 74 3HG2 ILE 74 -9.412 7.929 -2.079 590 1HD1 ILE 74 1HD1 ILE 74 -12.592 10.661 0.667 591 2HD1 ILE 74 2HD1 ILE 74 -11.750 9.121 0.843 592 3HD1 ILE 74 3HD1 ILE 74 -12.482 9.555 -0.702 593 H TYR 75 H TYR 75 -8.117 11.386 0.827 594 HA TYR 75 HA TYR 75 -7.032 8.956 2.068 595 1HB TYR 75 2HB TYR 75 -5.240 10.673 1.451 596 2HB TYR 75 1HB TYR 75 -5.955 11.707 2.683 597 HD1 TYR 75 1HD TYR 75 -4.836 8.148 2.364 598 HD2 TYR 75 2HD TYR 75 -4.932 11.673 4.743 599 HE1 TYR 75 1HE TYR 75 -3.497 7.015 4.086 600 HE2 TYR 75 2HE TYR 75 -3.591 10.551 6.472 601 HH TYR 75 HH TYR 75 -1.936 8.611 6.548 602 H PHE 76 H PHE 76 -7.922 8.475 3.987 603 HA PHE 76 HA PHE 76 -9.121 10.524 5.640 604 1HB PHE 76 2HB PHE 76 -11.304 9.115 5.691 605 2HB PHE 76 1HB PHE 76 -11.041 10.227 4.351 606 HD1 PHE 76 1HD PHE 76 -9.931 9.215 2.234 607 HD2 PHE 76 2HD PHE 76 -11.847 6.914 5.258 608 HE1 PHE 76 1HE PHE 76 -10.216 7.364 0.638 609 HE2 PHE 76 2HE PHE 76 -12.135 5.058 3.668 610 HZ PHE 76 HZ PHE 76 -11.319 5.282 1.355 611 H TYR 77 H TYR 77 -10.370 9.288 7.521 612 HA TYR 77 HA TYR 77 -8.870 6.890 8.286 613 1HB TYR 77 2HB TYR 77 -7.745 8.880 9.276 614 2HB TYR 77 1HB TYR 77 -9.248 9.278 10.105 615 HD1 TYR 77 1HD TYR 77 -6.209 7.396 10.245 616 HD2 TYR 77 2HD TYR 77 -10.185 7.565 11.750 617 HE1 TYR 77 1HE TYR 77 -5.556 5.944 12.120 618 HE2 TYR 77 2HE TYR 77 -9.543 6.115 13.628 619 HH TYR 77 HH TYR 77 -7.451 4.234 13.868 620 H LEU 78 H LEU 78 -10.500 5.458 8.353 621 HA LEU 78 HA LEU 78 -13.164 6.006 8.978 622 1HB LEU 78 2HB LEU 78 -11.537 3.493 8.968 623 2HB LEU 78 1HB LEU 78 -13.204 3.469 9.512 624 HG LEU 78 HG LEU 78 -12.845 2.819 7.109 625 1HD1 LEU 78 1HD1 LEU 78 -14.997 3.685 8.097 626 2HD1 LEU 78 2HD1 LEU 78 -14.817 3.877 6.352 627 3HD1 LEU 78 3HD1 LEU 78 -14.572 5.258 7.421 628 1HD2 LEU 78 1HD2 LEU 78 -11.535 4.111 5.867 629 2HD2 LEU 78 2HD2 LEU 78 -11.503 5.365 7.107 630 3HD2 LEU 78 3HD2 LEU 78 -12.800 5.340 5.911 631 H GLY 79 H GLY 79 -14.310 4.777 10.840 632 1HA GLY 79 2HA GLY 79 -14.145 6.017 13.174 633 2HA GLY 79 1HA GLY 79 -14.515 4.301 13.113 634 H GLN 80 H GLN 80 -12.046 3.257 12.379 635 HA GLN 80 HA GLN 80 -10.135 4.228 14.361 636 1HB GLN 80 2HB GLN 80 -11.520 2.588 15.555 637 2HB GLN 80 1HB GLN 80 -11.162 1.385 14.324 638 1HG GLN 80 2HG GLN 80 -9.805 0.993 16.268 639 2HG GLN 80 1HG GLN 80 -8.784 1.504 14.924 640 1HE2 GLN 80 1HE2 GLN 80 -10.810 3.588 16.891 641 2HE2 GLN 80 2HE2 GLN 80 -9.517 4.479 17.613 642 H VAL 81 H VAL 81 -10.313 4.005 11.385 643 HA VAL 81 HA VAL 81 -7.694 2.779 10.999 644 HB VAL 81 HB VAL 81 -9.971 2.109 9.146 645 1HG1 VAL 81 1HG1 VAL 81 -8.315 1.445 7.818 646 2HG1 VAL 81 2HG1 VAL 81 -7.934 0.201 9.009 647 3HG1 VAL 81 3HG1 VAL 81 -7.114 1.761 9.069 648 1HG2 VAL 81 1HG2 VAL 81 -8.832 0.003 10.872 649 2HG2 VAL 81 2HG2 VAL 81 -10.483 0.228 10.294 650 3HG2 VAL 81 3HG2 VAL 81 -9.889 1.174 11.660 651 H ALA 82 H ALA 82 -7.095 3.116 8.531 652 HA ALA 82 HA ALA 82 -8.089 5.694 7.577 653 1HB ALA 82 1HB ALA 82 -6.016 5.954 9.058 654 2HB ALA 82 2HB ALA 82 -5.994 6.724 7.472 655 3HB ALA 82 3HB ALA 82 -5.133 5.207 7.727 656 H ILE 83 H ILE 83 -7.630 6.107 5.349 657 HA ILE 83 HA ILE 83 -6.596 3.832 3.819 658 HB ILE 83 HB ILE 83 -8.954 5.112 2.607 659 1HG1 ILE 83 2HG1 ILE 83 -9.593 4.902 5.036 660 2HG1 ILE 83 1HG1 ILE 83 -10.603 3.978 3.929 661 1HG2 ILE 83 1HG2 ILE 83 -8.467 3.349 1.321 662 2HG2 ILE 83 2HG2 ILE 83 -9.290 2.395 2.556 663 3HG2 ILE 83 3HG2 ILE 83 -7.535 2.562 2.595 664 1HD1 ILE 83 1HD1 ILE 83 -8.283 2.718 5.339 665 2HD1 ILE 83 2HD1 ILE 83 -9.688 1.946 4.609 666 3HD1 ILE 83 3HD1 ILE 83 -9.865 2.866 6.104 667 H LEU 84 H LEU 84 -5.467 4.376 2.037 668 HA LEU 84 HA LEU 84 -5.401 7.225 1.281 669 1HB LEU 84 2HB LEU 84 -3.339 6.921 2.294 670 2HB LEU 84 1HB LEU 84 -3.202 5.259 1.755 671 HG LEU 84 HG LEU 84 -3.013 6.364 -0.625 672 1HD1 LEU 84 1HD1 LEU 84 -2.142 8.576 1.224 673 2HD1 LEU 84 2HD1 LEU 84 -3.466 8.630 0.059 674 3HD1 LEU 84 3HD1 LEU 84 -1.799 8.505 -0.504 675 1HD2 LEU 84 1HD2 LEU 84 -0.513 6.830 0.804 676 2HD2 LEU 84 2HD2 LEU 84 -0.881 5.703 -0.501 677 3HD2 LEU 84 3HD2 LEU 84 -1.250 5.269 1.168 678 H LEU 85 H LEU 85 -7.000 6.725 -0.341 679 HA LEU 85 HA LEU 85 -6.281 4.869 -2.444 680 1HB LEU 85 2HB LEU 85 -8.680 5.997 -1.463 681 2HB LEU 85 1HB LEU 85 -8.513 6.532 -3.125 682 HG LEU 85 HG LEU 85 -8.078 4.026 -3.645 683 1HD1 LEU 85 1HD1 LEU 85 -8.731 2.434 -2.136 684 2HD1 LEU 85 2HD1 LEU 85 -9.778 3.543 -1.250 685 3HD1 LEU 85 3HD1 LEU 85 -8.028 3.638 -1.057 686 1HD2 LEU 85 1HD2 LEU 85 -10.248 3.850 -4.321 687 2HD2 LEU 85 2HD2 LEU 85 -10.192 5.581 -3.989 688 3HD2 LEU 85 3HD2 LEU 85 -10.890 4.479 -2.803 689 H PHE 86 H PHE 86 -5.240 5.366 -4.250 690 HA PHE 86 HA PHE 86 -5.539 7.842 -5.604 691 1HB PHE 86 2HB PHE 86 -3.642 9.015 -5.098 692 2HB PHE 86 1HB PHE 86 -3.895 8.220 -3.551 693 HD1 PHE 86 1HD PHE 86 -2.664 5.953 -3.222 694 HD2 PHE 86 2HD PHE 86 -1.604 8.851 -6.151 695 HE1 PHE 86 1HE PHE 86 -0.407 4.983 -3.361 696 HE2 PHE 86 2HE PHE 86 0.654 7.886 -6.297 697 HZ PHE 86 HZ PHE 86 1.255 5.949 -4.900 698 H LYS 87 H LYS 87 -5.285 7.433 -7.694 699 HA LYS 87 HA LYS 87 -3.776 5.047 -8.485 700 1HB LYS 87 2HB LYS 87 -5.081 6.226 -10.718 701 2HB LYS 87 1HB LYS 87 -5.443 4.702 -9.922 702 1HG LYS 87 2HG LYS 87 -6.736 6.213 -8.236 703 2HG LYS 87 1HG LYS 87 -6.713 7.373 -9.568 704 1HD LYS 87 2HD LYS 87 -7.823 4.567 -9.638 705 2HD LYS 87 1HD LYS 87 -8.751 6.067 -9.654 706 1HE LYS 87 2HE LYS 87 -6.766 5.259 -11.777 707 2HE LYS 87 1HE LYS 87 -8.506 5.002 -11.890 708 1HZ LYS 87 1HZ LYS 87 -7.831 7.007 -13.051 709 2HZ LYS 87 2HZ LYS 87 -7.163 7.639 -11.631 710 3HZ LYS 87 3HZ LYS 87 -8.834 7.391 -11.743 711 H SER 88 H SER 88 -3.125 5.559 -11.050 712 HA SER 88 HA SER 88 -1.397 7.936 -10.928 713 1HB SER 88 2HB SER 88 -0.676 5.132 -11.259 714 2HB SER 88 1HB SER 88 -0.053 6.146 -12.560 715 HG SER 88 HG SER 88 0.260 6.759 -9.810 716 H GLY 89 H GLY 89 -4.022 7.226 -12.192 717 1HA GLY 89 2HA GLY 89 -4.008 6.873 -14.892 718 2HA GLY 89 1HA GLY 89 -5.114 7.975 -14.086 719 1H MET 1 1HT MET 1 24.740 -7.913 7.473 720 2H MET 1 2HT MET 1 25.027 -6.257 7.825 721 3H MET 1 3HT MET 1 26.157 -7.451 8.320 722 HA MET 1 HA MET 1 27.216 -7.311 6.457 723 1HB MET 1 2HB MET 1 24.718 -8.474 5.742 724 2HB MET 1 1HB MET 1 25.180 -7.370 4.453 725 1HG MET 1 2HG MET 1 25.933 -9.833 4.343 726 2HG MET 1 1HG MET 1 27.079 -8.560 3.927 727 1HE MET 1 1HE MET 1 28.657 -11.780 5.937 728 2HE MET 1 2HE MET 1 28.987 -10.875 4.460 729 3HE MET 1 3HE MET 1 27.407 -11.620 4.703 730 H CYS 2 H CYS 2 24.138 -5.591 5.885 731 HA CYS 2 HA CYS 2 25.617 -3.114 5.492 732 1HB CYS 2 2HB CYS 2 23.782 -3.041 3.400 733 2HB CYS 2 1HB CYS 2 25.527 -3.231 3.257 734 HG CYS 2 HG CYS 2 24.076 -5.152 2.025 735 H ASP 3 H ASP 3 24.320 -3.194 7.651 736 HA ASP 3 HA ASP 3 22.605 -2.403 8.923 737 1HB ASP 3 2HB ASP 3 23.280 -0.382 7.479 738 2HB ASP 3 1HB ASP 3 21.818 -0.716 6.553 739 H ARG 4 H ARG 4 20.403 -1.401 6.605 740 HA ARG 4 HA ARG 4 18.311 -2.118 6.060 741 1HB ARG 4 2HB ARG 4 19.950 -3.694 4.770 742 2HB ARG 4 1HB ARG 4 19.372 -4.916 5.895 743 1HG ARG 4 2HG ARG 4 17.515 -5.200 4.724 744 2HG ARG 4 1HG ARG 4 17.158 -3.472 4.772 745 1HD ARG 4 2HD ARG 4 17.392 -3.727 2.522 746 2HD ARG 4 1HD ARG 4 19.074 -3.408 2.943 747 HE ARG 4 HE ARG 4 19.564 -5.491 2.175 748 1HH1 ARG 4 1HH1 ARG 4 16.230 -5.459 3.179 749 2HH1 ARG 4 2HH1 ARG 4 15.929 -7.089 2.677 750 1HH2 ARG 4 1HH2 ARG 4 19.177 -7.642 1.515 751 2HH2 ARG 4 2HH2 ARG 4 17.603 -8.329 1.733 752 H LYS 5 H LYS 5 17.806 -1.677 8.389 753 HA LYS 5 HA LYS 5 17.355 -4.069 9.994 754 1HB LYS 5 2HB LYS 5 18.350 -1.968 10.972 755 2HB LYS 5 1HB LYS 5 16.784 -1.202 10.745 756 1HG LYS 5 2HG LYS 5 17.029 -1.958 13.027 757 2HG LYS 5 1HG LYS 5 15.762 -2.878 12.215 758 1HD LYS 5 2HD LYS 5 16.808 -4.732 12.865 759 2HD LYS 5 1HD LYS 5 18.109 -4.310 11.750 760 1HE LYS 5 2HE LYS 5 19.076 -2.906 13.618 761 2HE LYS 5 1HE LYS 5 17.901 -3.676 14.684 762 1HZ LYS 5 1HZ LYS 5 18.852 -5.837 14.032 763 2HZ LYS 5 2HZ LYS 5 19.976 -4.840 14.809 764 3HZ LYS 5 3HZ LYS 5 20.037 -5.033 13.130 765 H ALA 6 H ALA 6 15.787 -4.130 7.781 766 HA ALA 6 HA ALA 6 13.116 -3.551 8.876 767 1HB ALA 6 1HB ALA 6 13.471 -1.991 7.100 768 2HB ALA 6 2HB ALA 6 12.349 -3.223 6.524 769 3HB ALA 6 3HB ALA 6 14.039 -3.266 6.023 770 H VAL 7 H VAL 7 11.488 -4.809 7.236 771 HA VAL 7 HA VAL 7 12.470 -7.535 6.827 772 HB VAL 7 HB VAL 7 9.994 -6.887 8.435 773 1HG1 VAL 7 1HG1 VAL 7 10.501 -9.567 8.722 774 2HG1 VAL 7 2HG1 VAL 7 10.871 -9.284 7.020 775 3HG1 VAL 7 3HG1 VAL 7 9.283 -8.861 7.660 776 1HG2 VAL 7 1HG2 VAL 7 11.337 -6.876 10.206 777 2HG2 VAL 7 2HG2 VAL 7 12.734 -7.249 9.196 778 3HG2 VAL 7 3HG2 VAL 7 11.751 -8.555 9.862 779 H ILE 8 H ILE 8 12.291 -6.637 4.620 780 HA ILE 8 HA ILE 8 10.232 -5.670 3.251 781 HB ILE 8 HB ILE 8 12.352 -7.574 2.566 782 1HG1 ILE 8 2HG1 ILE 8 12.317 -6.019 0.498 783 2HG1 ILE 8 1HG1 ILE 8 11.134 -5.084 1.410 784 1HG2 ILE 8 1HG2 ILE 8 11.212 -7.799 0.194 785 2HG2 ILE 8 2HG2 ILE 8 9.737 -7.739 1.161 786 3HG2 ILE 8 3HG2 ILE 8 10.941 -8.993 1.466 787 1HD1 ILE 8 1HD1 ILE 8 12.868 -4.011 2.280 788 2HD1 ILE 8 2HD1 ILE 8 14.012 -5.214 1.682 789 3HD1 ILE 8 3HD1 ILE 8 13.180 -5.473 3.215 790 H LYS 9 H LYS 9 8.497 -6.535 1.990 791 HA LYS 9 HA LYS 9 7.377 -9.095 2.808 792 1HB LYS 9 2HB LYS 9 5.850 -6.497 3.086 793 2HB LYS 9 1HB LYS 9 5.188 -8.106 3.337 794 1HG LYS 9 2HG LYS 9 7.564 -7.391 4.940 795 2HG LYS 9 1HG LYS 9 6.059 -6.553 5.323 796 1HD LYS 9 2HD LYS 9 5.463 -8.334 6.518 797 2HD LYS 9 1HD LYS 9 5.345 -9.233 5.004 798 1HE LYS 9 2HE LYS 9 7.780 -9.752 5.217 799 2HE LYS 9 1HE LYS 9 7.742 -9.012 6.817 800 1HZ LYS 9 1HZ LYS 9 7.482 -11.501 6.729 801 2HZ LYS 9 2HZ LYS 9 5.950 -11.245 6.060 802 3HZ LYS 9 3HZ LYS 9 6.301 -10.669 7.612 803 H ASN 10 H ASN 10 7.869 -6.586 0.608 804 HA ASN 10 HA ASN 10 7.054 -8.029 -1.638 805 1HB ASN 10 2HB ASN 10 4.926 -6.560 -0.306 806 2HB ASN 10 1HB ASN 10 5.155 -6.019 -1.966 807 1HD2 ASN 10 1HD2 ASN 10 6.248 -8.864 -2.427 808 2HD2 ASN 10 2HD2 ASN 10 4.815 -9.793 -2.689 809 H ALA 11 H ALA 11 8.821 -7.289 -2.704 810 HA ALA 11 HA ALA 11 8.943 -4.391 -3.200 811 1HB ALA 11 1HB ALA 11 11.365 -6.135 -2.810 812 2HB ALA 11 2HB ALA 11 10.658 -5.126 -1.549 813 3HB ALA 11 3HB ALA 11 11.322 -4.384 -3.004 814 H ASP 12 H ASP 12 8.309 -4.244 -5.263 815 HA ASP 12 HA ASP 12 9.225 -6.173 -7.236 816 1HB ASP 12 2HB ASP 12 6.842 -5.120 -7.076 817 2HB ASP 12 1HB ASP 12 7.588 -3.744 -7.883 818 H MET 13 H MET 13 11.116 -4.408 -5.929 819 HA MET 13 HA MET 13 12.078 -2.894 -8.267 820 1HB MET 13 2HB MET 13 11.491 -1.326 -6.555 821 2HB MET 13 1HB MET 13 12.311 -2.274 -5.323 822 1HG MET 13 2HG MET 13 14.409 -1.600 -6.006 823 2HG MET 13 1HG MET 13 13.856 -1.168 -7.624 824 1HE MET 13 1HE MET 13 12.171 1.016 -4.080 825 2HE MET 13 2HE MET 13 13.839 0.581 -3.708 826 3HE MET 13 3HE MET 13 12.682 -0.671 -4.160 827 H SER 14 H SER 14 14.393 -2.788 -8.535 828 HA SER 14 HA SER 14 15.720 -5.181 -8.469 829 1HB SER 14 2HB SER 14 17.430 -2.794 -8.035 830 2HB SER 14 1HB SER 14 17.530 -4.042 -9.276 831 HG SER 14 HG SER 14 15.272 -2.584 -9.547 832 H GLU 15 H GLU 15 16.893 -6.340 -7.030 833 HA GLU 15 HA GLU 15 16.498 -6.276 -4.358 834 1HB GLU 15 2HB GLU 15 19.040 -7.095 -5.774 835 2HB GLU 15 1HB GLU 15 18.664 -7.490 -4.103 836 1HG GLU 15 2HG GLU 15 16.755 -8.247 -6.264 837 2HG GLU 15 1HG GLU 15 18.206 -9.210 -5.994 838 H GLU 16 H GLU 16 19.612 -5.125 -5.670 839 HA GLU 16 HA GLU 16 20.583 -3.868 -3.458 840 1HB GLU 16 2HB GLU 16 20.830 -2.649 -6.206 841 2HB GLU 16 1HB GLU 16 21.990 -2.579 -4.886 842 1HG GLU 16 2HG GLU 16 21.238 -5.223 -6.036 843 2HG GLU 16 1HG GLU 16 22.368 -4.184 -6.902 844 H MET 17 H MET 17 18.195 -2.611 -5.725 845 HA MET 17 HA MET 17 18.096 0.022 -4.699 846 1HB MET 17 2HB MET 17 16.307 -1.662 -6.402 847 2HB MET 17 1HB MET 17 15.667 -0.169 -5.729 848 1HG MET 17 2HG MET 17 18.232 0.341 -6.872 849 2HG MET 17 1HG MET 17 17.227 -0.512 -8.043 850 1HE MET 17 1HE MET 17 16.328 3.214 -5.741 851 2HE MET 17 2HE MET 17 16.417 1.557 -5.146 852 3HE MET 17 3HE MET 17 14.884 2.202 -5.733 853 H GLN 18 H GLN 18 16.533 -2.973 -3.790 854 HA GLN 18 HA GLN 18 14.609 -1.807 -2.039 855 1HB GLN 18 2HB GLN 18 15.508 -4.574 -1.516 856 2HB GLN 18 1HB GLN 18 13.882 -3.933 -1.691 857 1HG GLN 18 2HG GLN 18 15.186 -3.756 -4.207 858 2HG GLN 18 1HG GLN 18 15.424 -5.381 -3.565 859 1HE2 GLN 18 1HE2 GLN 18 13.010 -2.967 -4.380 860 2HE2 GLN 18 2HE2 GLN 18 11.710 -4.077 -4.622 861 H GLN 19 H GLN 19 17.929 -2.833 -1.705 862 HA GLN 19 HA GLN 19 17.904 -2.863 1.157 863 1HB GLN 19 2HB GLN 19 20.061 -3.608 1.016 864 2HB GLN 19 1HB GLN 19 19.546 -3.995 -0.617 865 1HG GLN 19 2HG GLN 19 20.552 -1.931 -1.435 866 2HG GLN 19 1HG GLN 19 21.053 -1.523 0.205 867 1HE2 GLN 19 1HE2 GLN 19 22.523 -2.128 -2.358 868 2HE2 GLN 19 2HE2 GLN 19 23.691 -3.320 -1.908 869 H ASP 20 H ASP 20 18.889 -0.584 -1.343 870 HA ASP 20 HA ASP 20 19.860 1.351 0.508 871 1HB ASP 20 2HB ASP 20 19.420 1.228 -2.424 872 2HB ASP 20 1HB ASP 20 19.424 2.832 -1.696 873 H SER 21 H SER 21 16.811 0.565 -0.920 874 HA SER 21 HA SER 21 15.467 3.003 -0.395 875 1HB SER 21 2HB SER 21 14.785 0.954 -1.897 876 2HB SER 21 1HB SER 21 14.035 0.368 -0.413 877 HG SER 21 HG SER 21 12.657 2.043 -0.425 878 H VAL 22 H VAL 22 15.789 -0.042 1.379 879 HA VAL 22 HA VAL 22 14.104 0.639 3.532 880 HB VAL 22 HB VAL 22 16.493 -1.211 3.591 881 1HG1 VAL 22 1HG1 VAL 22 14.789 -2.297 5.321 882 2HG1 VAL 22 2HG1 VAL 22 14.285 -0.614 5.480 883 3HG1 VAL 22 3HG1 VAL 22 15.960 -1.067 5.798 884 1HG2 VAL 22 1HG2 VAL 22 15.265 -2.859 2.636 885 2HG2 VAL 22 2HG2 VAL 22 14.450 -1.488 1.885 886 3HG2 VAL 22 3HG2 VAL 22 13.745 -2.264 3.304 887 H GLU 23 H GLU 23 17.639 0.889 3.153 888 HA GLU 23 HA GLU 23 18.243 1.912 5.668 889 1HB GLU 23 2HB GLU 23 19.571 2.590 3.035 890 2HB GLU 23 1HB GLU 23 20.265 2.855 4.628 891 1HG GLU 23 2HG GLU 23 20.113 0.382 5.001 892 2HG GLU 23 1HG GLU 23 19.666 0.226 3.302 893 H CYS 24 H CYS 24 17.190 3.585 2.738 894 HA CYS 24 HA CYS 24 17.462 6.213 3.737 895 1HB CYS 24 2HB CYS 24 15.566 5.167 1.621 896 2HB CYS 24 1HB CYS 24 15.968 6.860 1.889 897 HG CYS 24 HG CYS 24 18.121 6.565 0.701 898 H ALA 25 H ALA 25 14.850 3.852 3.876 899 HA ALA 25 HA ALA 25 12.907 5.611 4.994 900 1HB ALA 25 1HB ALA 25 11.643 3.612 5.502 901 2HB ALA 25 2HB ALA 25 13.070 2.603 5.265 902 3HB ALA 25 3HB ALA 25 12.346 3.444 3.893 903 H THR 26 H THR 26 15.556 3.750 6.109 904 HA THR 26 HA THR 26 14.947 3.772 8.889 905 HB THR 26 HB THR 26 17.711 3.566 7.716 906 HG1 THR 26 1HG THR 26 17.155 1.834 6.706 907 1HG2 THR 26 1HG2 THR 26 16.833 3.321 10.280 908 2HG2 THR 26 2HG2 THR 26 18.320 2.632 9.627 909 3HG2 THR 26 3HG2 THR 26 16.858 1.649 9.721 910 H GLN 27 H GLN 27 16.930 5.746 6.725 911 HA GLN 27 HA GLN 27 18.128 7.426 8.571 912 1HB GLN 27 2HB GLN 27 17.564 7.480 5.715 913 2HB GLN 27 1HB GLN 27 17.510 9.088 6.425 914 1HG GLN 27 2HG GLN 27 19.747 8.864 7.252 915 2HG GLN 27 1HG GLN 27 19.808 7.174 6.752 916 1HE2 GLN 27 1HE2 GLN 27 18.184 8.229 4.317 917 2HE2 GLN 27 2HE2 GLN 27 19.422 8.796 3.255 918 H ALA 28 H ALA 28 14.983 7.700 6.981 919 HA ALA 28 HA ALA 28 14.251 10.072 8.440 920 1HB ALA 28 1HB ALA 28 12.979 8.333 6.407 921 2HB ALA 28 2HB ALA 28 13.098 10.092 6.481 922 3HB ALA 28 3HB ALA 28 11.903 9.247 7.464 923 H LEU 29 H LEU 29 14.144 6.693 8.983 924 HA LEU 29 HA LEU 29 11.982 6.692 10.859 925 1HB LEU 29 2HB LEU 29 14.038 4.717 9.987 926 2HB LEU 29 1HB LEU 29 13.113 4.413 11.448 927 HG LEU 29 HG LEU 29 11.636 5.118 8.963 928 1HD1 LEU 29 1HD1 LEU 29 11.585 2.539 8.620 929 2HD1 LEU 29 2HD1 LEU 29 13.143 2.598 9.447 930 3HD1 LEU 29 3HD1 LEU 29 12.903 3.501 7.950 931 1HD2 LEU 29 1HD2 LEU 29 10.887 2.961 10.865 932 2HD2 LEU 29 2HD2 LEU 29 9.867 4.106 9.993 933 3HD2 LEU 29 3HD2 LEU 29 10.771 4.632 11.413 934 H GLU 30 H GLU 30 15.466 7.027 11.011 935 HA GLU 30 HA GLU 30 15.483 6.882 13.912 936 1HB GLU 30 2HB GLU 30 17.460 6.711 11.769 937 2HB GLU 30 1HB GLU 30 18.006 7.686 13.128 938 1HG GLU 30 2HG GLU 30 16.946 5.516 14.388 939 2HG GLU 30 1HG GLU 30 17.603 4.801 12.917 940 H LYS 31 H LYS 31 15.513 9.281 11.392 941 HA LYS 31 HA LYS 31 16.342 11.415 13.161 942 1HB LYS 31 2HB LYS 31 15.360 11.406 10.306 943 2HB LYS 31 1HB LYS 31 15.813 12.867 11.173 944 1HG LYS 31 2HG LYS 31 17.586 10.552 10.435 945 2HG LYS 31 1HG LYS 31 17.662 12.207 9.828 946 1HD LYS 31 2HD LYS 31 18.322 13.022 12.000 947 2HD LYS 31 1HD LYS 31 18.100 11.421 12.707 948 1HE LYS 31 2HE LYS 31 20.085 12.070 10.531 949 2HE LYS 31 1HE LYS 31 20.476 12.000 12.249 950 1HZ LYS 31 1HZ LYS 31 21.004 9.891 11.663 951 2HZ LYS 31 2HZ LYS 31 19.897 9.829 10.386 952 3HZ LYS 31 3HZ LYS 31 19.360 9.639 11.979 953 H TYR 32 H TYR 32 13.387 10.030 11.966 954 HA TYR 32 HA TYR 32 11.866 11.601 13.861 955 1HB TYR 32 2HB TYR 32 10.422 11.633 11.351 956 2HB TYR 32 1HB TYR 32 10.784 12.960 12.445 957 HD1 TYR 32 1HD TYR 32 12.852 10.808 10.183 958 HD2 TYR 32 2HD TYR 32 11.712 14.740 11.330 959 HE1 TYR 32 1HE TYR 32 14.398 11.733 8.513 960 HE2 TYR 32 2HE TYR 32 13.256 15.679 9.665 961 HH TYR 32 HH TYR 32 15.373 14.917 8.479 962 H ASN 33 H ASN 33 10.039 10.559 14.563 963 HA ASN 33 HA ASN 33 9.636 7.858 13.473 964 1HB ASN 33 2HB ASN 33 10.043 8.701 16.089 965 2HB ASN 33 1HB ASN 33 8.308 8.403 16.007 966 1HD2 ASN 33 1HD2 ASN 33 10.869 7.006 17.098 967 2HD2 ASN 33 2HD2 ASN 33 10.600 5.352 16.671 968 H ILE 34 H ILE 34 8.496 10.300 12.348 969 HA ILE 34 HA ILE 34 5.637 9.927 12.907 970 HB ILE 34 HB ILE 34 6.775 12.110 11.193 971 1HG1 ILE 34 2HG1 ILE 34 8.002 12.317 13.243 972 2HG1 ILE 34 1HG1 ILE 34 6.741 13.547 13.245 973 1HG2 ILE 34 1HG2 ILE 34 4.247 11.781 12.786 974 2HG2 ILE 34 2HG2 ILE 34 4.413 11.890 11.034 975 3HG2 ILE 34 3HG2 ILE 34 4.742 13.300 12.040 976 1HD1 ILE 34 1HD1 ILE 34 6.153 12.808 15.240 977 2HD1 ILE 34 2HD1 ILE 34 7.229 11.416 15.103 978 3HD1 ILE 34 3HD1 ILE 34 5.589 11.330 14.460 979 H GLU 35 H GLU 35 4.960 8.249 11.677 980 HA GLU 35 HA GLU 35 5.756 7.128 9.429 981 1HB GLU 35 2HB GLU 35 2.891 7.962 9.909 982 2HB GLU 35 1HB GLU 35 3.407 6.724 8.773 983 1HG GLU 35 2HG GLU 35 2.949 5.346 10.478 984 2HG GLU 35 1HG GLU 35 4.565 5.803 11.013 985 H LYS 36 H LYS 36 3.374 9.768 9.095 986 HA LYS 36 HA LYS 36 3.666 10.199 6.399 987 1HB LYS 36 2HB LYS 36 3.236 12.747 7.305 988 2HB LYS 36 1HB LYS 36 1.982 11.540 7.051 989 1HG LYS 36 2HG LYS 36 1.894 10.995 9.334 990 2HG LYS 36 1HG LYS 36 3.413 11.827 9.673 991 1HD LYS 36 2HD LYS 36 2.186 13.592 10.267 992 2HD LYS 36 1HD LYS 36 1.796 13.786 8.557 993 1HE LYS 36 2HE LYS 36 -0.327 13.225 8.907 994 2HE LYS 36 1HE LYS 36 0.143 11.756 9.761 995 1HZ LYS 36 1HZ LYS 36 -0.251 14.468 10.885 996 2HZ LYS 36 2HZ LYS 36 0.542 13.240 11.736 997 3HZ LYS 36 3HZ LYS 36 -1.074 13.043 11.281 998 H ASP 37 H ASP 37 5.360 12.000 8.975 999 HA ASP 37 HA ASP 37 6.984 13.589 7.426 1000 1HB ASP 37 2HB ASP 37 6.876 12.784 10.152 1001 2HB ASP 37 1HB ASP 37 8.549 12.643 9.620 1002 H ILE 38 H ILE 38 8.033 10.499 8.857 1003 HA ILE 38 HA ILE 38 10.431 10.158 7.652 1004 HB ILE 38 HB ILE 38 8.399 7.941 7.917 1005 1HG1 ILE 38 2HG1 ILE 38 10.415 8.804 9.989 1006 2HG1 ILE 38 1HG1 ILE 38 8.759 9.401 9.977 1007 1HG2 ILE 38 1HG2 ILE 38 11.268 7.489 8.429 1008 2HG2 ILE 38 2HG2 ILE 38 10.815 7.787 6.750 1009 3HG2 ILE 38 3HG2 ILE 38 10.076 6.456 7.639 1010 1HD1 ILE 38 1HD1 ILE 38 8.534 7.667 11.420 1011 2HD1 ILE 38 2HD1 ILE 38 9.807 6.716 10.654 1012 3HD1 ILE 38 3HD1 ILE 38 8.213 6.820 9.907 1013 H ALA 39 H ALA 39 7.278 9.349 6.228 1014 HA ALA 39 HA ALA 39 8.271 8.335 3.794 1015 1HB ALA 39 1HB ALA 39 5.875 8.255 4.859 1016 2HB ALA 39 2HB ALA 39 6.082 8.206 3.109 1017 3HB ALA 39 3HB ALA 39 5.630 9.715 3.901 1018 H ALA 40 H ALA 40 7.313 11.585 4.801 1019 HA ALA 40 HA ALA 40 7.426 12.864 2.326 1020 1HB ALA 40 1HB ALA 40 7.068 13.627 4.998 1021 2HB ALA 40 2HB ALA 40 6.867 14.626 3.558 1022 3HB ALA 40 3HB ALA 40 8.418 14.589 4.396 1023 H HIS 41 H HIS 41 9.947 13.069 4.842 1024 HA HIS 41 HA HIS 41 11.946 14.189 3.355 1025 1HB HIS 41 2HB HIS 41 12.961 12.058 5.087 1026 2HB HIS 41 1HB HIS 41 13.246 13.793 5.152 1027 HD1 HIS 41 1HD HIS 41 12.218 11.431 7.361 1028 HD2 HIS 41 2HD HIS 41 10.359 14.895 6.020 1029 HE1 HIS 41 1HE HIS 41 10.549 12.031 9.143 1030 HE2 HIS 41 2HE HIS 41 9.518 14.192 8.363 1031 H ILE 42 H ILE 42 11.518 10.679 3.844 1032 HA ILE 42 HA ILE 42 13.491 9.682 2.265 1033 HB ILE 42 HB ILE 42 10.656 8.637 2.345 1034 1HG1 ILE 42 2HG1 ILE 42 13.033 7.843 4.039 1035 2HG1 ILE 42 1HG1 ILE 42 11.767 8.943 4.574 1036 1HG2 ILE 42 1HG2 ILE 42 13.041 6.902 1.946 1037 2HG2 ILE 42 2HG2 ILE 42 12.422 7.823 0.576 1038 3HG2 ILE 42 3HG2 ILE 42 11.375 6.676 1.410 1039 1HD1 ILE 42 1HD1 ILE 42 11.222 6.855 5.484 1040 2HD1 ILE 42 2HD1 ILE 42 11.555 6.015 3.970 1041 3HD1 ILE 42 3HD1 ILE 42 10.139 7.057 4.106 1042 H LYS 43 H LYS 43 10.181 9.983 0.992 1043 HA LYS 43 HA LYS 43 10.542 9.605 -1.632 1044 1HB LYS 43 2HB LYS 43 8.392 10.220 -0.537 1045 2HB LYS 43 1HB LYS 43 8.913 11.900 -0.530 1046 1HG LYS 43 2HG LYS 43 8.696 10.292 -3.056 1047 2HG LYS 43 1HG LYS 43 7.342 11.200 -2.382 1048 1HD LYS 43 2HD LYS 43 9.220 13.110 -2.331 1049 2HD LYS 43 1HD LYS 43 9.813 12.161 -3.694 1050 1HE LYS 43 2HE LYS 43 8.036 14.119 -3.985 1051 2HE LYS 43 1HE LYS 43 8.038 12.683 -5.009 1052 1HZ LYS 43 1HZ LYS 43 6.297 13.231 -2.671 1053 2HZ LYS 43 2HZ LYS 43 6.411 11.709 -3.401 1054 3HZ LYS 43 3HZ LYS 43 5.829 13.029 -4.285 1055 H LYS 44 H LYS 44 11.143 12.713 -0.015 1056 HA LYS 44 HA LYS 44 11.919 14.161 -2.272 1057 1HB LYS 44 2HB LYS 44 13.114 14.608 0.449 1058 2HB LYS 44 1HB LYS 44 12.738 15.799 -0.789 1059 1HG LYS 44 2HG LYS 44 10.329 14.477 -0.095 1060 2HG LYS 44 1HG LYS 44 11.148 14.950 1.396 1061 1HD LYS 44 2HD LYS 44 11.185 17.016 -0.671 1062 2HD LYS 44 1HD LYS 44 9.561 16.579 -0.137 1063 1HE LYS 44 2HE LYS 44 11.835 17.352 1.688 1064 2HE LYS 44 1HE LYS 44 10.548 18.437 1.164 1065 1HZ LYS 44 1HZ LYS 44 10.066 15.909 2.640 1066 2HZ LYS 44 2HZ LYS 44 8.942 17.125 2.299 1067 3HZ LYS 44 3HZ LYS 44 10.202 17.420 3.388 1068 H GLU 45 H GLU 45 13.881 12.276 -0.006 1069 HA GLU 45 HA GLU 45 16.362 12.880 -1.247 1070 1HB GLU 45 2HB GLU 45 15.967 10.357 0.305 1071 2HB GLU 45 1HB GLU 45 17.327 11.471 0.314 1072 1HG GLU 45 2HG GLU 45 15.297 13.020 1.290 1073 2HG GLU 45 1HG GLU 45 14.920 11.432 1.955 1074 H PHE 46 H PHE 46 14.207 10.061 -1.435 1075 HA PHE 46 HA PHE 46 15.792 8.528 -3.164 1076 1HB PHE 46 2HB PHE 46 13.169 8.373 -2.032 1077 2HB PHE 46 1HB PHE 46 13.061 8.011 -3.751 1078 HD1 PHE 46 1HD PHE 46 13.797 6.724 -0.545 1079 HD2 PHE 46 2HD PHE 46 14.747 6.281 -4.668 1080 HE1 PHE 46 1HE PHE 46 14.605 4.441 -0.110 1081 HE2 PHE 46 2HE PHE 46 15.557 3.997 -4.241 1082 HZ PHE 46 HZ PHE 46 15.486 3.074 -1.958 1083 H ASP 47 H ASP 47 13.532 11.127 -3.777 1084 HA ASP 47 HA ASP 47 13.382 10.718 -6.597 1085 1HB ASP 47 2HB ASP 47 11.946 12.499 -6.622 1086 2HB ASP 47 1HB ASP 47 11.854 12.111 -4.907 1087 H LYS 48 H LYS 48 15.143 13.035 -4.548 1088 HA LYS 48 HA LYS 48 16.559 14.196 -6.735 1089 1HB LYS 48 2HB LYS 48 16.663 14.402 -3.765 1090 2HB LYS 48 1HB LYS 48 18.064 14.948 -4.676 1091 1HG LYS 48 2HG LYS 48 15.350 15.905 -5.453 1092 2HG LYS 48 1HG LYS 48 16.161 16.613 -4.054 1093 1HD LYS 48 2HD LYS 48 16.617 17.914 -6.061 1094 2HD LYS 48 1HD LYS 48 18.095 17.157 -5.461 1095 1HE LYS 48 2HE LYS 48 18.302 16.616 -7.658 1096 2HE LYS 48 1HE LYS 48 17.327 15.243 -7.138 1097 1HZ LYS 48 1HZ LYS 48 16.132 17.726 -8.221 1098 2HZ LYS 48 2HZ LYS 48 15.388 16.223 -8.006 1099 3HZ LYS 48 3HZ LYS 48 16.565 16.419 -9.205 1100 H LYS 49 H LYS 49 17.014 11.400 -4.780 1101 HA LYS 49 HA LYS 49 19.836 11.163 -5.445 1102 1HB LYS 49 2HB LYS 49 18.435 10.399 -3.254 1103 2HB LYS 49 1HB LYS 49 18.451 8.893 -4.161 1104 1HG LYS 49 2HG LYS 49 21.041 10.264 -3.984 1105 2HG LYS 49 1HG LYS 49 20.391 9.674 -2.453 1106 1HD LYS 49 2HD LYS 49 21.235 7.684 -3.005 1107 2HD LYS 49 1HD LYS 49 19.953 7.582 -4.213 1108 1HE LYS 49 2HE LYS 49 21.721 9.044 -5.586 1109 2HE LYS 49 1HE LYS 49 22.836 8.172 -4.537 1110 1HZ LYS 49 1HZ LYS 49 20.745 6.778 -6.096 1111 2HZ LYS 49 2HZ LYS 49 22.132 6.124 -5.381 1112 3HZ LYS 49 3HZ LYS 49 22.270 7.112 -6.746 1113 H TYR 50 H TYR 50 16.758 9.946 -6.494 1114 HA TYR 50 HA TYR 50 18.145 8.172 -8.396 1115 1HB TYR 50 2HB TYR 50 15.370 7.833 -7.236 1116 2HB TYR 50 1HB TYR 50 16.137 6.757 -8.400 1117 HD1 TYR 50 1HD TYR 50 16.667 8.174 -4.985 1118 HD2 TYR 50 2HD TYR 50 17.292 4.895 -7.624 1119 HE1 TYR 50 1HE TYR 50 17.644 6.880 -3.139 1120 HE2 TYR 50 2HE TYR 50 18.269 3.594 -5.783 1121 HH TYR 50 HH TYR 50 18.954 3.628 -3.665 1122 H ASN 51 H ASN 51 14.928 9.688 -8.064 1123 HA ASN 51 HA ASN 51 14.933 11.562 -9.981 1124 1HB ASN 51 2HB ASN 51 15.807 9.851 -11.562 1125 2HB ASN 51 1HB ASN 51 14.332 8.918 -11.330 1126 1HD2 ASN 51 1HD2 ASN 51 15.836 11.400 -13.052 1127 2HD2 ASN 51 2HD2 ASN 51 14.461 11.955 -13.937 1128 HA PRO 52 HA PRO 52 10.985 11.528 -7.803 1129 1HB PRO 52 2HB PRO 52 10.618 13.632 -9.900 1130 2HB PRO 52 1HB PRO 52 10.156 13.657 -8.194 1131 1HG PRO 52 2HG PRO 52 12.331 14.936 -8.996 1132 2HG PRO 52 1HG PRO 52 12.336 14.024 -7.475 1133 1HD PRO 52 2HD PRO 52 13.590 13.356 -10.089 1134 2HD PRO 52 1HD PRO 52 14.115 12.946 -8.444 1135 H THR 53 H THR 53 8.443 10.160 -9.826 1136 HA THR 53 HA THR 53 9.548 11.232 -7.321 1137 HB THR 53 HB THR 53 7.855 12.726 -7.456 1138 HG1 THR 53 1HG THR 53 6.618 11.988 -5.955 1139 1HG2 THR 53 1HG2 THR 53 7.282 12.098 -9.775 1140 2HG2 THR 53 2HG2 THR 53 5.885 12.563 -8.804 1141 3HG2 THR 53 3HG2 THR 53 6.201 10.860 -9.136 1142 H TRP 54 H TRP 54 9.401 9.951 -5.550 1143 HA TRP 54 HA TRP 54 8.488 7.217 -6.014 1144 1HB TRP 54 2HB TRP 54 10.149 8.415 -3.792 1145 2HB TRP 54 1HB TRP 54 9.712 6.714 -3.903 1146 HD1 TRP 54 HD TRP 54 11.494 9.305 -6.193 1147 HE1 TRP 54 1HE TRP 54 13.463 8.108 -7.341 1148 HE3 TRP 54 3HE TRP 54 10.824 4.613 -4.277 1149 HZ2 TRP 54 2HZ TRP 54 14.584 5.522 -7.426 1150 HZ3 TRP 54 3HZ TRP 54 12.388 2.833 -4.942 1151 HH2 TRP 54 HH TRP 54 14.228 3.280 -6.485 1152 H HIS 55 H HIS 55 6.605 6.528 -5.306 1153 HA HIS 55 HA HIS 55 5.120 8.082 -3.332 1154 1HB HIS 55 2HB HIS 55 4.165 5.595 -4.750 1155 2HB HIS 55 1HB HIS 55 3.195 6.875 -4.031 1156 HD1 HIS 55 1HD HIS 55 6.009 7.182 -6.571 1157 HD2 HIS 55 2HD HIS 55 1.946 7.960 -6.181 1158 HE1 HIS 55 1HE HIS 55 5.347 8.376 -8.683 1159 HE2 HIS 55 2HE HIS 55 2.867 8.758 -8.462 1160 H CYS 56 H CYS 56 5.990 7.614 -1.342 1161 HA CYS 56 HA CYS 56 6.136 4.766 -0.610 1162 1HB CYS 56 2HB CYS 56 7.496 6.615 1.190 1163 2HB CYS 56 1HB CYS 56 8.088 5.142 0.430 1164 HG CYS 56 HG CYS 56 8.144 7.895 -1.022 1165 H ILE 57 H ILE 57 5.262 4.021 1.249 1166 HA ILE 57 HA ILE 57 3.704 5.899 2.900 1167 HB ILE 57 HB ILE 57 2.747 3.146 2.105 1168 1HG1 ILE 57 2HG1 ILE 57 2.565 4.461 0.135 1169 2HG1 ILE 57 1HG1 ILE 57 0.961 4.458 0.857 1170 1HG2 ILE 57 1HG2 ILE 57 1.626 5.328 3.827 1171 2HG2 ILE 57 2HG2 ILE 57 1.820 3.613 4.187 1172 3HG2 ILE 57 3HG2 ILE 57 0.570 4.142 3.061 1173 1HD1 ILE 57 1HD1 ILE 57 0.947 6.664 0.917 1174 2HD1 ILE 57 2HD1 ILE 57 2.499 6.662 0.079 1175 3HD1 ILE 57 3HD1 ILE 57 2.449 6.689 1.842 1176 H VAL 58 H VAL 58 5.087 5.877 4.629 1177 HA VAL 58 HA VAL 58 5.926 3.291 5.712 1178 HB VAL 58 HB VAL 58 7.735 4.832 5.497 1179 1HG1 VAL 58 1HG1 VAL 58 5.817 6.776 6.017 1180 2HG1 VAL 58 2HG1 VAL 58 7.539 7.031 5.733 1181 3HG1 VAL 58 3HG1 VAL 58 6.930 6.861 7.381 1182 1HG2 VAL 58 1HG2 VAL 58 6.827 4.550 8.356 1183 2HG2 VAL 58 2HG2 VAL 58 8.438 5.090 7.883 1184 3HG2 VAL 58 3HG2 VAL 58 7.891 3.469 7.454 1185 H GLY 59 H GLY 59 5.081 2.434 7.494 1186 1HA GLY 59 2HA GLY 59 3.671 4.153 9.395 1187 2HA GLY 59 1HA GLY 59 2.768 2.842 8.649 1188 H ARG 60 H ARG 60 2.434 1.638 10.487 1189 HA ARG 60 HA ARG 60 4.624 0.008 11.338 1190 1HB ARG 60 2HB ARG 60 3.984 0.722 13.816 1191 2HB ARG 60 1HB ARG 60 5.244 1.539 12.901 1192 1HG ARG 60 2HG ARG 60 2.878 2.847 12.220 1193 2HG ARG 60 1HG ARG 60 2.789 2.585 13.962 1194 1HD ARG 60 2HD ARG 60 5.043 3.909 12.460 1195 2HD ARG 60 1HD ARG 60 3.847 4.715 13.473 1196 HE ARG 60 HE ARG 60 5.965 2.915 14.440 1197 1HH1 ARG 60 1HH1 ARG 60 3.596 5.409 14.982 1198 2HH1 ARG 60 2HH1 ARG 60 4.111 5.726 16.605 1199 1HH2 ARG 60 1HH2 ARG 60 6.651 3.322 16.575 1200 2HH2 ARG 60 2HH2 ARG 60 5.847 4.537 17.511 1201 H ASN 61 H ASN 61 1.603 0.236 10.443 1202 HA ASN 61 HA ASN 61 0.790 -2.275 11.283 1203 1HB ASN 61 2HB ASN 61 0.730 -1.016 13.519 1204 2HB ASN 61 1HB ASN 61 -0.678 -0.178 12.873 1205 1HD2 ASN 61 1HD2 ASN 61 0.115 -3.505 12.167 1206 2HD2 ASN 61 2HD2 ASN 61 -1.211 -4.207 13.024 1207 H PHE 62 H PHE 62 0.723 -0.419 9.031 1208 HA PHE 62 HA PHE 62 -2.160 -0.118 8.581 1209 1HB PHE 62 2HB PHE 62 -1.620 1.428 6.850 1210 2HB PHE 62 1HB PHE 62 -0.575 1.825 8.210 1211 HD1 PHE 62 1HD PHE 62 1.776 0.671 8.181 1212 HD2 PHE 62 2HD PHE 62 -0.692 1.215 4.757 1213 HE1 PHE 62 1HE PHE 62 3.750 0.457 6.729 1214 HE2 PHE 62 2HE PHE 62 1.278 1.000 3.298 1215 HZ PHE 62 HZ PHE 62 3.503 0.621 4.284 1216 H GLY 63 H GLY 63 -2.223 -0.167 5.840 1217 1HA GLY 63 2HA GLY 63 -1.122 -2.732 4.976 1218 2HA GLY 63 1HA GLY 63 -2.874 -2.587 5.019 1219 H SER 64 H SER 64 0.067 -1.448 3.502 1220 HA SER 64 HA SER 64 -1.230 0.298 1.658 1221 1HB SER 64 2HB SER 64 1.030 0.135 0.453 1222 2HB SER 64 1HB SER 64 1.032 0.802 2.083 1223 HG SER 64 HG SER 64 1.575 -1.914 1.469 1224 H TYR 65 H TYR 65 -1.802 -0.001 -0.438 1225 HA TYR 65 HA TYR 65 -1.376 -2.583 -1.713 1226 1HB TYR 65 2HB TYR 65 -3.591 -2.526 -0.347 1227 2HB TYR 65 1HB TYR 65 -4.174 -1.489 -1.644 1228 HD1 TYR 65 1HD TYR 65 -4.995 -2.425 -3.629 1229 HD2 TYR 65 2HD TYR 65 -2.698 -4.837 -0.981 1230 HE1 TYR 65 1HE TYR 65 -5.552 -4.414 -4.965 1231 HE2 TYR 65 2HE TYR 65 -3.247 -6.831 -2.311 1232 HH TYR 65 HH TYR 65 -5.596 -6.737 -4.884 1233 H VAL 66 H VAL 66 -0.015 -0.688 -2.672 1234 HA VAL 66 HA VAL 66 -1.553 0.763 -4.707 1235 HB VAL 66 HB VAL 66 0.541 2.066 -5.052 1236 1HG1 VAL 66 1HG1 VAL 66 0.134 3.506 -3.292 1237 2HG1 VAL 66 2HG1 VAL 66 -0.130 2.194 -2.142 1238 3HG1 VAL 66 3HG1 VAL 66 -1.360 2.570 -3.349 1239 1HG2 VAL 66 1HG2 VAL 66 2.474 1.699 -3.902 1240 2HG2 VAL 66 2HG2 VAL 66 1.865 0.045 -3.940 1241 3HG2 VAL 66 3HG2 VAL 66 1.643 1.033 -2.496 1242 H THR 67 H THR 67 -0.607 0.936 -6.877 1243 HA THR 67 HA THR 67 0.474 -1.653 -7.721 1244 HB THR 67 HB THR 67 -0.972 0.544 -9.194 1245 HG1 THR 67 1HG THR 67 -2.074 -1.174 -7.940 1246 1HG2 THR 67 1HG2 THR 67 0.955 -1.123 -10.347 1247 2HG2 THR 67 2HG2 THR 67 -0.239 -0.116 -11.167 1248 3HG2 THR 67 3HG2 THR 67 -0.613 -1.797 -10.791 1249 H HIS 68 H HIS 68 2.655 -1.451 -7.364 1250 HA HIS 68 HA HIS 68 4.414 0.515 -7.527 1251 1HB HIS 68 2HB HIS 68 6.036 -1.092 -8.643 1252 2HB HIS 68 1HB HIS 68 5.247 -1.679 -7.183 1253 HD1 HIS 68 1HD HIS 68 2.555 -2.166 -9.121 1254 HD2 HIS 68 2HD HIS 68 6.338 -3.873 -9.323 1255 HE1 HIS 68 1HE HIS 68 2.248 -4.334 -10.356 1256 HE2 HIS 68 2HE HIS 68 4.563 -5.314 -10.531 1257 H GLU 69 H GLU 69 3.041 -1.032 -10.408 1258 HA GLU 69 HA GLU 69 3.172 -0.488 -12.630 1259 1HB GLU 69 2HB GLU 69 2.494 1.846 -13.101 1260 2HB GLU 69 1HB GLU 69 1.483 1.075 -11.885 1261 1HG GLU 69 2HG GLU 69 2.951 2.204 -10.157 1262 2HG GLU 69 1HG GLU 69 3.610 3.153 -11.488 1263 H THR 70 H THR 70 5.734 -0.699 -11.414 1264 HA THR 70 HA THR 70 7.318 0.562 -13.398 1265 HB THR 70 HB THR 70 7.906 1.575 -10.626 1266 HG1 THR 70 1HG THR 70 6.889 3.522 -12.052 1267 1HG2 THR 70 1HG2 THR 70 8.858 3.480 -12.060 1268 2HG2 THR 70 2HG2 THR 70 8.792 2.313 -13.381 1269 3HG2 THR 70 3HG2 THR 70 9.761 1.970 -11.948 1270 H LYS 71 H LYS 71 9.528 0.694 -11.194 1271 HA LYS 71 HA LYS 71 9.888 -2.149 -10.658 1272 1HB LYS 71 2HB LYS 71 11.644 -0.519 -12.465 1273 2HB LYS 71 1HB LYS 71 12.316 -1.857 -11.544 1274 1HG LYS 71 2HG LYS 71 10.834 -3.411 -12.620 1275 2HG LYS 71 1HG LYS 71 9.991 -2.098 -13.442 1276 1HD LYS 71 2HD LYS 71 12.845 -2.011 -13.927 1277 2HD LYS 71 1HD LYS 71 12.149 -3.558 -14.411 1278 1HE LYS 71 2HE LYS 71 10.580 -1.209 -15.200 1279 2HE LYS 71 1HE LYS 71 12.174 -1.307 -15.944 1280 1HZ LYS 71 1HZ LYS 71 11.548 -3.009 -17.219 1281 2HZ LYS 71 2HZ LYS 71 9.960 -2.577 -16.829 1282 3HZ LYS 71 3HZ LYS 71 10.739 -3.801 -15.960 1283 H HIS 72 H HIS 72 9.696 0.702 -9.389 1284 HA HIS 72 HA HIS 72 11.973 0.330 -7.556 1285 1HB HIS 72 2HB HIS 72 10.574 2.927 -8.225 1286 2HB HIS 72 1HB HIS 72 11.957 2.736 -7.152 1287 HD1 HIS 72 1HD HIS 72 13.948 3.650 -8.287 1288 HD2 HIS 72 2HD HIS 72 11.480 1.597 -10.926 1289 HE1 HIS 72 1HE HIS 72 15.128 3.724 -10.507 1290 HE2 HIS 72 2HE HIS 72 13.599 2.506 -12.097 1291 H PHE 73 H PHE 73 9.743 -1.134 -7.072 1292 HA PHE 73 HA PHE 73 8.417 0.324 -4.877 1293 1HB PHE 73 2HB PHE 73 6.685 -0.213 -6.356 1294 2HB PHE 73 1HB PHE 73 7.396 -1.764 -6.780 1295 HD1 PHE 73 1HD PHE 73 6.382 -0.139 -3.573 1296 HD2 PHE 73 2HD PHE 73 6.068 -3.512 -6.146 1297 HE1 PHE 73 1HE PHE 73 4.927 -1.251 -1.929 1298 HE2 PHE 73 2HE PHE 73 4.610 -4.631 -4.509 1299 HZ PHE 73 HZ PHE 73 4.038 -3.500 -2.396 1300 H ILE 74 H ILE 74 9.118 -0.296 -2.939 1301 HA ILE 74 HA ILE 74 9.675 -3.142 -2.504 1302 HB ILE 74 HB ILE 74 11.829 -1.949 -2.822 1303 1HG1 ILE 74 2HG1 ILE 74 11.049 -3.301 -0.267 1304 2HG1 ILE 74 1HG1 ILE 74 12.067 -3.891 -1.572 1305 1HG2 ILE 74 1HG2 ILE 74 12.370 -0.556 -0.604 1306 2HG2 ILE 74 2HG2 ILE 74 10.641 -0.233 -0.722 1307 3HG2 ILE 74 3HG2 ILE 74 11.709 0.187 -2.061 1308 1HD1 ILE 74 1HD1 ILE 74 13.826 -3.421 -0.323 1309 2HD1 ILE 74 2HD1 ILE 74 12.806 -2.659 0.898 1310 3HD1 ILE 74 3HD1 ILE 74 13.425 -1.709 -0.453 1311 H TYR 75 H TYR 75 8.653 -3.926 -0.809 1312 HA TYR 75 HA TYR 75 7.709 -2.052 1.255 1313 1HB TYR 75 2HB TYR 75 5.995 -3.355 -0.160 1314 2HB TYR 75 1HB TYR 75 6.521 -4.774 0.740 1315 HD1 TYR 75 1HD TYR 75 5.491 -1.250 1.460 1316 HD2 TYR 75 2HD TYR 75 5.241 -5.351 2.567 1317 HE1 TYR 75 1HE TYR 75 3.947 -0.659 3.279 1318 HE2 TYR 75 2HE TYR 75 3.694 -4.771 4.389 1319 HH TYR 75 HH TYR 75 3.014 -2.932 5.712 1320 H PHE 76 H PHE 76 8.233 -2.439 3.358 1321 HA PHE 76 HA PHE 76 9.186 -4.996 4.244 1322 1HB PHE 76 2HB PHE 76 11.438 -3.958 4.984 1323 2HB PHE 76 1HB PHE 76 11.262 -4.471 3.310 1324 HD1 PHE 76 1HD PHE 76 12.087 -1.792 5.490 1325 HD2 PHE 76 2HD PHE 76 10.611 -2.680 1.598 1326 HE1 PHE 76 1HE PHE 76 12.710 0.467 4.742 1327 HE2 PHE 76 2HE PHE 76 11.234 -0.424 0.842 1328 HZ PHE 76 HZ PHE 76 12.285 1.153 2.416 1329 H TYR 77 H TYR 77 9.868 -4.942 6.541 1330 HA TYR 77 HA TYR 77 8.581 -2.714 7.981 1331 1HB TYR 77 2HB TYR 77 7.138 -4.608 8.207 1332 2HB TYR 77 1HB TYR 77 8.491 -5.673 8.574 1333 HD1 TYR 77 1HD TYR 77 6.375 -2.954 9.887 1334 HD2 TYR 77 2HD TYR 77 9.367 -5.841 10.791 1335 HE1 TYR 77 1HE TYR 77 6.039 -2.542 12.287 1336 HE2 TYR 77 2HE TYR 77 9.038 -5.437 13.195 1337 HH TYR 77 HH TYR 77 6.410 -3.871 14.454 1338 H LEU 78 H LEU 78 10.145 -1.560 8.902 1339 HA LEU 78 HA LEU 78 12.695 -2.621 9.589 1340 1HB LEU 78 2HB LEU 78 11.332 -0.001 10.173 1341 2HB LEU 78 1HB LEU 78 12.937 -0.372 10.776 1342 HG LEU 78 HG LEU 78 12.900 1.002 8.689 1343 1HD1 LEU 78 1HD1 LEU 78 14.206 -1.685 8.319 1344 2HD1 LEU 78 2HD1 LEU 78 14.822 -0.434 9.398 1345 3HD1 LEU 78 3HD1 LEU 78 14.728 -0.135 7.662 1346 1HD2 LEU 78 1HD2 LEU 78 11.292 -1.266 7.801 1347 2HD2 LEU 78 2HD2 LEU 78 12.589 -0.837 6.685 1348 3HD2 LEU 78 3HD2 LEU 78 11.396 0.372 7.157 1349 H GLY 79 H GLY 79 13.599 -2.225 11.866 1350 1HA GLY 79 2HA GLY 79 12.936 -3.966 13.697 1351 2HA GLY 79 1HA GLY 79 13.354 -2.338 14.206 1352 H GLN 80 H GLN 80 11.136 -0.907 13.463 1353 HA GLN 80 HA GLN 80 8.791 -2.238 14.546 1354 1HB GLN 80 2HB GLN 80 9.561 0.360 15.823 1355 2HB GLN 80 1HB GLN 80 8.482 -0.894 16.419 1356 1HG GLN 80 2HG GLN 80 10.376 -2.334 16.886 1357 2HG GLN 80 1HG GLN 80 11.478 -1.123 16.230 1358 1HE2 GLN 80 1HE2 GLN 80 9.743 1.012 17.415 1359 2HE2 GLN 80 2HE2 GLN 80 10.177 1.052 19.087 1360 H VAL 81 H VAL 81 9.400 -1.224 11.968 1361 HA VAL 81 HA VAL 81 7.162 0.583 11.648 1362 HB VAL 81 HB VAL 81 9.929 1.386 10.747 1363 1HG1 VAL 81 1HG1 VAL 81 8.847 2.401 9.072 1364 2HG1 VAL 81 2HG1 VAL 81 8.262 3.522 10.301 1365 3HG1 VAL 81 3HG1 VAL 81 7.270 2.145 9.818 1366 1HG2 VAL 81 1HG2 VAL 81 9.200 1.720 13.189 1367 2HG2 VAL 81 2HG2 VAL 81 8.113 2.951 12.547 1368 3HG2 VAL 81 3HG2 VAL 81 9.854 3.109 12.319 1369 H ALA 82 H ALA 82 6.848 1.080 9.238 1370 HA ALA 82 HA ALA 82 7.806 -1.108 7.540 1371 1HB ALA 82 1HB ALA 82 5.044 -0.508 6.964 1372 2HB ALA 82 2HB ALA 82 5.241 -1.049 8.631 1373 3HB ALA 82 3HB ALA 82 5.809 -2.060 7.303 1374 H ILE 83 H ILE 83 8.075 -0.563 5.398 1375 HA ILE 83 HA ILE 83 7.342 2.189 4.651 1376 HB ILE 83 HB ILE 83 9.787 1.122 3.406 1377 1HG1 ILE 83 2HG1 ILE 83 9.897 0.441 5.878 1378 2HG1 ILE 83 1HG1 ILE 83 11.237 1.391 5.250 1379 1HG2 ILE 83 1HG2 ILE 83 8.728 3.404 3.098 1380 2HG2 ILE 83 2HG2 ILE 83 10.458 3.378 3.440 1381 3HG2 ILE 83 3HG2 ILE 83 9.313 3.783 4.719 1382 1HD1 ILE 83 1HD1 ILE 83 10.706 3.217 6.503 1383 2HD1 ILE 83 2HD1 ILE 83 10.113 1.938 7.563 1384 3HD1 ILE 83 3HD1 ILE 83 8.985 2.832 6.542 1385 H LEU 84 H LEU 84 6.289 2.388 2.807 1386 HA LEU 84 HA LEU 84 6.297 0.129 0.914 1387 1HB LEU 84 2HB LEU 84 4.114 0.190 1.707 1388 2HB LEU 84 1HB LEU 84 4.112 1.937 1.865 1389 HG LEU 84 HG LEU 84 4.324 1.766 -0.801 1390 1HD1 LEU 84 1HD1 LEU 84 4.229 -0.804 -0.449 1391 2HD1 LEU 84 2HD1 LEU 84 3.294 -0.066 -1.750 1392 3HD1 LEU 84 3HD1 LEU 84 2.498 -0.531 -0.246 1393 1HD2 LEU 84 1HD2 LEU 84 2.414 2.880 -0.602 1394 2HD2 LEU 84 2HD2 LEU 84 2.317 2.372 1.083 1395 3HD2 LEU 84 3HD2 LEU 84 1.558 1.398 -0.177 1396 H LEU 85 H LEU 85 8.080 1.025 -0.219 1397 HA LEU 85 HA LEU 85 7.735 3.656 -1.427 1398 1HB LEU 85 2HB LEU 85 9.934 2.221 -0.515 1399 2HB LEU 85 1HB LEU 85 10.085 2.167 -2.260 1400 HG LEU 85 HG LEU 85 9.698 4.755 -2.090 1401 1HD1 LEU 85 1HD1 LEU 85 11.084 4.435 0.524 1402 2HD1 LEU 85 2HD1 LEU 85 9.322 4.360 0.480 1403 3HD1 LEU 85 3HD1 LEU 85 10.159 5.799 -0.105 1404 1HD2 LEU 85 1HD2 LEU 85 11.818 3.260 -2.620 1405 2HD2 LEU 85 2HD2 LEU 85 12.367 3.929 -1.083 1406 3HD2 LEU 85 3HD2 LEU 85 11.943 5.007 -2.413 1407 H PHE 86 H PHE 86 7.101 3.992 -3.454 1408 HA PHE 86 HA PHE 86 7.644 2.205 -5.595 1409 1HB PHE 86 2HB PHE 86 5.658 1.124 -5.951 1410 2HB PHE 86 1HB PHE 86 5.591 1.244 -4.197 1411 HD1 PHE 86 1HD PHE 86 4.415 3.414 -3.287 1412 HD2 PHE 86 2HD PHE 86 3.845 1.799 -7.183 1413 HE1 PHE 86 1HE PHE 86 2.262 4.591 -3.455 1414 HE2 PHE 86 2HE PHE 86 1.690 2.973 -7.359 1415 HZ PHE 86 HZ PHE 86 0.896 4.373 -5.493 1416 H LYS 87 H LYS 87 7.877 3.444 -7.334 1417 HA LYS 87 HA LYS 87 6.726 6.125 -7.335 1418 1HB LYS 87 2HB LYS 87 8.582 4.953 -9.401 1419 2HB LYS 87 1HB LYS 87 8.277 6.650 -9.061 1420 1HG LYS 87 2HG LYS 87 9.568 6.634 -7.141 1421 2HG LYS 87 1HG LYS 87 9.452 4.882 -6.960 1422 1HD LYS 87 2HD LYS 87 11.641 5.243 -7.708 1423 2HD LYS 87 1HD LYS 87 10.761 4.756 -9.157 1424 1HE LYS 87 2HE LYS 87 10.583 7.042 -9.880 1425 2HE LYS 87 1HE LYS 87 11.281 7.618 -8.369 1426 1HZ LYS 87 1HZ LYS 87 12.601 6.814 -10.725 1427 2HZ LYS 87 2HZ LYS 87 13.081 5.803 -9.457 1428 3HZ LYS 87 3HZ LYS 87 13.261 7.479 -9.317 1429 H SER 88 H SER 88 5.737 6.982 -9.307 1430 HA SER 88 HA SER 88 4.069 4.942 -10.599 1431 1HB SER 88 2HB SER 88 3.644 7.875 -10.073 1432 2HB SER 88 1HB SER 88 2.627 6.967 -11.191 1433 HG SER 88 HG SER 88 1.794 7.069 -9.025 1434 H GLY 89 H GLY 89 6.821 5.981 -11.268 1435 1HA GLY 89 2HA GLY 89 6.895 7.527 -13.551 1436 2HA GLY 89 1HA GLY 89 8.038 6.237 -13.207 Start of MODEL 2 1 1H MET 1 1HT MET 1 -20.317 2.695 11.727 2 2H MET 1 2HT MET 1 -19.946 2.809 10.056 3 3H MET 1 3HT MET 1 -18.722 2.384 11.182 4 HA MET 1 HA MET 1 -19.279 0.409 10.224 5 1HB MET 1 2HB MET 1 -21.168 0.439 12.560 6 2HB MET 1 1HB MET 1 -20.057 -0.828 12.056 7 1HG MET 1 2HG MET 1 -18.216 0.894 12.637 8 2HG MET 1 1HG MET 1 -19.493 1.695 13.551 9 1HE MET 1 1HE MET 1 -18.308 -2.694 14.337 10 2HE MET 1 2HE MET 1 -17.769 -1.771 12.934 11 3HE MET 1 3HE MET 1 -19.470 -2.210 13.101 12 H CYS 2 H CYS 2 -21.155 2.512 9.164 13 HA CYS 2 HA CYS 2 -23.317 0.665 8.426 14 1HB CYS 2 2HB CYS 2 -24.009 3.545 8.589 15 2HB CYS 2 1HB CYS 2 -24.999 2.128 8.919 16 HG CYS 2 HG CYS 2 -24.554 2.435 11.297 17 H ASP 3 H ASP 3 -21.762 3.770 7.642 18 HA ASP 3 HA ASP 3 -21.038 3.124 5.050 19 1HB ASP 3 2HB ASP 3 -22.972 4.798 4.091 20 2HB ASP 3 1HB ASP 3 -23.043 3.041 4.012 21 H ARG 4 H ARG 4 -19.721 4.680 4.248 22 HA ARG 4 HA ARG 4 -18.445 6.572 4.227 23 1HB ARG 4 2HB ARG 4 -20.973 7.321 3.671 24 2HB ARG 4 1HB ARG 4 -20.699 8.279 5.119 25 1HG ARG 4 2HG ARG 4 -18.805 9.359 4.117 26 2HG ARG 4 1HG ARG 4 -18.897 8.301 2.708 27 1HD ARG 4 2HD ARG 4 -20.239 9.779 1.738 28 2HD ARG 4 1HD ARG 4 -21.441 9.458 2.987 29 HE ARG 4 HE ARG 4 -19.431 11.358 3.771 30 1HH1 ARG 4 1HH1 ARG 4 -22.499 10.924 2.176 31 2HH1 ARG 4 2HH1 ARG 4 -23.010 12.559 2.433 32 1HH2 ARG 4 1HH2 ARG 4 -20.095 13.511 4.114 33 2HH2 ARG 4 2HH2 ARG 4 -21.643 14.030 3.535 34 H LYS 5 H LYS 5 -18.890 5.099 6.798 35 HA LYS 5 HA LYS 5 -18.802 7.099 8.866 36 1HB LYS 5 2HB LYS 5 -19.784 4.977 9.411 37 2HB LYS 5 1HB LYS 5 -18.340 4.116 8.896 38 1HG LYS 5 2HG LYS 5 -18.337 4.136 11.262 39 2HG LYS 5 1HG LYS 5 -17.100 5.281 10.734 40 1HD LYS 5 2HD LYS 5 -18.776 7.109 11.031 41 2HD LYS 5 1HD LYS 5 -19.872 5.918 11.734 42 1HE LYS 5 2HE LYS 5 -17.194 6.806 12.784 43 2HE LYS 5 1HE LYS 5 -18.775 7.041 13.529 44 1HZ LYS 5 1HZ LYS 5 -17.881 5.259 14.679 45 2HZ LYS 5 2HZ LYS 5 -17.197 4.560 13.299 46 3HZ LYS 5 3HZ LYS 5 -18.870 4.497 13.538 47 H ALA 6 H ALA 6 -16.946 8.168 7.630 48 HA ALA 6 HA ALA 6 -14.441 7.237 8.823 49 1HB ALA 6 1HB ALA 6 -14.191 8.469 6.160 50 2HB ALA 6 2HB ALA 6 -14.896 6.853 6.200 51 3HB ALA 6 3HB ALA 6 -13.295 7.133 6.883 52 H VAL 7 H VAL 7 -12.750 9.170 7.944 53 HA VAL 7 HA VAL 7 -13.960 11.761 8.524 54 HB VAL 7 HB VAL 7 -11.714 10.581 10.163 55 1HG1 VAL 7 1HG1 VAL 7 -12.838 13.380 10.207 56 2HG1 VAL 7 2HG1 VAL 7 -11.245 12.911 9.611 57 3HG1 VAL 7 3HG1 VAL 7 -11.635 12.729 11.321 58 1HG2 VAL 7 1HG2 VAL 7 -13.181 10.288 11.840 59 2HG2 VAL 7 2HG2 VAL 7 -14.386 10.313 10.552 60 3HG2 VAL 7 3HG2 VAL 7 -14.050 11.778 11.475 61 H ILE 8 H ILE 8 -13.364 11.784 6.176 62 HA ILE 8 HA ILE 8 -10.889 11.605 5.077 63 HB ILE 8 HB ILE 8 -13.270 13.246 4.466 64 1HG1 ILE 8 2HG1 ILE 8 -12.333 12.278 2.115 65 2HG1 ILE 8 1HG1 ILE 8 -11.615 11.132 3.243 66 1HG2 ILE 8 1HG2 ILE 8 -11.629 14.995 4.225 67 2HG2 ILE 8 2HG2 ILE 8 -12.151 14.462 2.627 68 3HG2 ILE 8 3HG2 ILE 8 -10.593 13.936 3.266 69 1HD1 ILE 8 1HD1 ILE 8 -14.202 11.114 2.203 70 2HD1 ILE 8 2HD1 ILE 8 -14.371 11.566 3.899 71 3HD1 ILE 8 3HD1 ILE 8 -13.540 10.072 3.462 72 H LYS 9 H LYS 9 -9.359 13.271 4.423 73 HA LYS 9 HA LYS 9 -9.101 15.603 6.132 74 1HB LYS 9 2HB LYS 9 -6.767 13.708 5.982 75 2HB LYS 9 1HB LYS 9 -7.004 15.070 7.071 76 1HG LYS 9 2HG LYS 9 -7.308 13.156 8.382 77 2HG LYS 9 1HG LYS 9 -8.936 13.759 8.056 78 1HD LYS 9 2HD LYS 9 -9.499 11.931 6.889 79 2HD LYS 9 1HD LYS 9 -7.949 11.878 6.050 80 1HE LYS 9 2HE LYS 9 -8.710 10.697 8.693 81 2HE LYS 9 1HE LYS 9 -7.945 9.922 7.307 82 1HZ LYS 9 1HZ LYS 9 -6.736 11.703 9.322 83 2HZ LYS 9 2HZ LYS 9 -6.017 11.509 7.804 84 3HZ LYS 9 3HZ LYS 9 -6.225 10.171 8.817 85 H ASN 10 H ASN 10 -8.371 13.711 3.391 86 HA ASN 10 HA ASN 10 -7.570 16.037 1.888 87 1HB ASN 10 2HB ASN 10 -5.411 15.264 2.847 88 2HB ASN 10 1HB ASN 10 -5.676 13.683 2.117 89 1HD2 ASN 10 1HD2 ASN 10 -3.878 13.759 0.824 90 2HD2 ASN 10 2HD2 ASN 10 -3.733 14.826 -0.527 91 H ALA 11 H ALA 11 -7.321 15.425 -0.477 92 HA ALA 11 HA ALA 11 -7.918 13.016 -1.595 93 1HB ALA 11 1HB ALA 11 -10.481 14.455 -0.929 94 2HB ALA 11 2HB ALA 11 -9.930 12.926 -0.242 95 3HB ALA 11 3HB ALA 11 -10.341 13.027 -1.954 96 H ASP 12 H ASP 12 -7.591 13.232 -3.694 97 HA ASP 12 HA ASP 12 -8.217 15.808 -4.962 98 1HB ASP 12 2HB ASP 12 -5.826 14.026 -5.210 99 2HB ASP 12 1HB ASP 12 -6.324 14.983 -6.603 100 H MET 13 H MET 13 -9.827 13.378 -4.648 101 HA MET 13 HA MET 13 -10.102 12.535 -7.454 102 1HB MET 13 2HB MET 13 -9.722 10.681 -5.932 103 2HB MET 13 1HB MET 13 -11.042 11.216 -4.900 104 1HG MET 13 2HG MET 13 -12.662 10.498 -6.363 105 2HG MET 13 1HG MET 13 -11.586 10.566 -7.756 106 1HE MET 13 1HE MET 13 -12.509 8.081 -4.526 107 2HE MET 13 2HE MET 13 -11.216 9.253 -4.275 108 3HE MET 13 3HE MET 13 -10.833 7.540 -4.438 109 H SER 14 H SER 14 -12.401 12.046 -8.107 110 HA SER 14 HA SER 14 -13.957 14.359 -7.965 111 1HB SER 14 2HB SER 14 -14.781 13.258 -9.744 112 2HB SER 14 1HB SER 14 -14.197 11.706 -9.144 113 HG SER 14 HG SER 14 -16.138 11.277 -8.488 114 H GLU 15 H GLU 15 -15.401 15.100 -6.545 115 HA GLU 15 HA GLU 15 -15.687 14.436 -3.986 116 1HB GLU 15 2HB GLU 15 -18.216 15.064 -5.467 117 2HB GLU 15 1HB GLU 15 -17.672 15.653 -3.902 118 1HG GLU 15 2HG GLU 15 -16.373 17.290 -4.810 119 2HG GLU 15 1HG GLU 15 -16.079 16.386 -6.295 120 H GLU 16 H GLU 16 -18.137 13.271 -6.300 121 HA GLU 16 HA GLU 16 -19.369 11.427 -4.670 122 1HB GLU 16 2HB GLU 16 -18.919 11.366 -7.655 123 2HB GLU 16 1HB GLU 16 -19.966 10.230 -6.817 124 1HG GLU 16 2HG GLU 16 -20.498 13.054 -6.237 125 2HG GLU 16 1HG GLU 16 -20.780 12.568 -7.908 126 H MET 17 H MET 17 -16.372 11.131 -6.449 127 HA MET 17 HA MET 17 -16.091 8.313 -6.119 128 1HB MET 17 2HB MET 17 -14.230 10.527 -6.932 129 2HB MET 17 1HB MET 17 -13.627 8.898 -6.666 130 1HG MET 17 2HG MET 17 -15.791 9.653 -8.614 131 2HG MET 17 1HG MET 17 -14.103 9.355 -9.024 132 1HE MET 17 1HE MET 17 -14.124 6.787 -6.492 133 2HE MET 17 2HE MET 17 -12.994 7.119 -7.807 134 3HE MET 17 3HE MET 17 -13.850 5.577 -7.744 135 H GLN 18 H GLN 18 -15.123 11.128 -4.256 136 HA GLN 18 HA GLN 18 -13.323 9.785 -2.526 137 1HB GLN 18 2HB GLN 18 -14.643 12.005 -1.233 138 2HB GLN 18 1HB GLN 18 -12.964 11.842 -1.726 139 1HG GLN 18 2HG GLN 18 -14.444 12.271 -4.073 140 2HG GLN 18 1HG GLN 18 -15.043 13.420 -2.878 141 1HE2 GLN 18 1HE2 GLN 18 -11.830 12.061 -3.516 142 2HE2 GLN 18 2HE2 GLN 18 -11.036 13.582 -3.712 143 H GLN 19 H GLN 19 -16.784 10.430 -2.391 144 HA GLN 19 HA GLN 19 -17.117 9.341 0.242 145 1HB GLN 19 2HB GLN 19 -18.853 10.456 -1.869 146 2HB GLN 19 1HB GLN 19 -19.605 9.222 -0.865 147 1HG GLN 19 2HG GLN 19 -19.410 10.487 1.064 148 2HG GLN 19 1HG GLN 19 -18.136 11.501 0.389 149 1HE2 GLN 19 1HE2 GLN 19 -19.662 11.744 -2.149 150 2HE2 GLN 19 2HE2 GLN 19 -20.894 12.910 -1.822 151 H ASP 20 H ASP 20 -17.297 8.174 -3.047 152 HA ASP 20 HA ASP 20 -18.440 5.646 -2.401 153 1HB ASP 20 2HB ASP 20 -17.430 6.998 -4.795 154 2HB ASP 20 1HB ASP 20 -17.087 5.270 -4.780 155 H SER 21 H SER 21 -15.224 6.975 -2.583 156 HA SER 21 HA SER 21 -13.794 4.528 -2.556 157 1HB SER 21 2HB SER 21 -12.027 6.216 -1.434 158 2HB SER 21 1HB SER 21 -12.366 6.212 -3.165 159 HG SER 21 HG SER 21 -13.172 8.025 -1.190 160 H VAL 22 H VAL 22 -14.797 6.782 -0.009 161 HA VAL 22 HA VAL 22 -13.650 5.432 2.158 162 HB VAL 22 HB VAL 22 -16.252 6.946 2.297 163 1HG1 VAL 22 1HG1 VAL 22 -15.944 7.023 4.524 164 2HG1 VAL 22 2HG1 VAL 22 -14.197 7.226 4.379 165 3HG1 VAL 22 3HG1 VAL 22 -14.914 5.620 4.241 166 1HG2 VAL 22 1HG2 VAL 22 -13.920 7.943 1.194 167 2HG2 VAL 22 2HG2 VAL 22 -13.869 8.503 2.865 168 3HG2 VAL 22 3HG2 VAL 22 -15.256 8.892 1.848 169 H GLU 23 H GLU 23 -16.865 5.144 0.680 170 HA GLU 23 HA GLU 23 -17.926 3.263 2.468 171 1HB GLU 23 2HB GLU 23 -18.513 3.597 -0.483 172 2HB GLU 23 1HB GLU 23 -19.518 2.724 0.666 173 1HG GLU 23 2HG GLU 23 -19.837 4.831 1.922 174 2HG GLU 23 1HG GLU 23 -18.929 5.675 0.669 175 H CYS 24 H CYS 24 -15.900 2.913 -0.382 176 HA CYS 24 HA CYS 24 -16.056 0.091 -0.586 177 1HB CYS 24 2HB CYS 24 -15.263 1.287 -2.489 178 2HB CYS 24 1HB CYS 24 -14.022 2.105 -1.546 179 HG CYS 24 HG CYS 24 -13.809 -0.949 -2.070 180 H ALA 25 H ALA 25 -13.905 2.296 1.136 181 HA ALA 25 HA ALA 25 -12.116 0.302 2.090 182 1HB ALA 25 1HB ALA 25 -12.111 3.034 2.099 183 2HB ALA 25 2HB ALA 25 -11.015 2.024 3.042 184 3HB ALA 25 3HB ALA 25 -12.477 2.673 3.785 185 H THR 26 H THR 26 -15.232 1.390 2.865 186 HA THR 26 HA THR 26 -15.330 0.371 5.548 187 HB THR 26 HB THR 26 -17.725 0.975 3.835 188 HG1 THR 26 1HG THR 26 -15.723 2.670 4.345 189 1HG2 THR 26 1HG2 THR 26 -18.001 2.164 6.297 190 2HG2 THR 26 2HG2 THR 26 -17.213 0.626 6.650 191 3HG2 THR 26 3HG2 THR 26 -18.739 0.653 5.766 192 H GLN 27 H GLN 27 -16.549 -0.586 2.358 193 HA GLN 27 HA GLN 27 -17.941 -2.868 2.990 194 1HB GLN 27 2HB GLN 27 -16.177 -2.247 0.624 195 2HB GLN 27 1HB GLN 27 -17.106 -3.735 0.732 196 1HG GLN 27 2HG GLN 27 -18.499 -1.131 1.096 197 2HG GLN 27 1HG GLN 27 -18.044 -1.648 -0.527 198 1HE2 GLN 27 1HE2 GLN 27 -18.855 -3.697 -1.274 199 2HE2 GLN 27 2HE2 GLN 27 -20.367 -4.290 -0.682 200 H ALA 28 H ALA 28 -14.465 -2.469 2.506 201 HA ALA 28 HA ALA 28 -13.871 -5.219 3.125 202 1HB ALA 28 1HB ALA 28 -12.166 -4.488 1.834 203 2HB ALA 28 2HB ALA 28 -11.489 -3.968 3.378 204 3HB ALA 28 3HB ALA 28 -12.349 -2.814 2.358 205 H LEU 29 H LEU 29 -13.966 -2.161 4.812 206 HA LEU 29 HA LEU 29 -12.608 -2.919 7.149 207 1HB LEU 29 2HB LEU 29 -14.506 -0.759 6.408 208 2HB LEU 29 1HB LEU 29 -14.209 -1.047 8.113 209 HG LEU 29 HG LEU 29 -11.880 -0.726 6.275 210 1HD1 LEU 29 1HD1 LEU 29 -13.864 1.335 6.958 211 2HD1 LEU 29 2HD1 LEU 29 -12.735 1.240 5.606 212 3HD1 LEU 29 3HD1 LEU 29 -12.173 1.779 7.188 213 1HD2 LEU 29 1HD2 LEU 29 -10.803 0.095 8.247 214 2HD2 LEU 29 2HD2 LEU 29 -11.639 -1.401 8.661 215 3HD2 LEU 29 3HD2 LEU 29 -12.334 0.153 9.119 216 H GLU 30 H GLU 30 -15.792 -3.587 6.002 217 HA GLU 30 HA GLU 30 -16.669 -4.497 8.637 218 1HB GLU 30 2HB GLU 30 -17.985 -3.405 6.309 219 2HB GLU 30 1HB GLU 30 -18.722 -4.931 6.779 220 1HG GLU 30 2HG GLU 30 -18.182 -2.892 8.871 221 2HG GLU 30 1HG GLU 30 -19.546 -2.660 7.779 222 H LYS 31 H LYS 31 -15.750 -5.690 5.488 223 HA LYS 31 HA LYS 31 -16.738 -8.360 6.021 224 1HB LYS 31 2HB LYS 31 -15.092 -7.241 3.748 225 2HB LYS 31 1HB LYS 31 -15.634 -8.911 3.844 226 1HG LYS 31 2HG LYS 31 -17.346 -6.449 3.611 227 2HG LYS 31 1HG LYS 31 -17.118 -7.721 2.409 228 1HD LYS 31 2HD LYS 31 -18.276 -9.310 3.761 229 2HD LYS 31 1HD LYS 31 -18.304 -8.205 5.136 230 1HE LYS 31 2HE LYS 31 -20.476 -8.335 3.972 231 2HE LYS 31 1HE LYS 31 -19.789 -6.711 3.958 232 1HZ LYS 31 1HZ LYS 31 -19.222 -8.481 1.693 233 2HZ LYS 31 2HZ LYS 31 -19.390 -6.798 1.729 234 3HZ LYS 31 3HZ LYS 31 -20.762 -7.787 1.797 235 H TYR 32 H TYR 32 -13.764 -6.594 6.325 236 HA TYR 32 HA TYR 32 -12.555 -8.902 7.624 237 1HB TYR 32 2HB TYR 32 -10.629 -7.515 5.907 238 2HB TYR 32 1HB TYR 32 -10.865 -9.239 6.171 239 HD1 TYR 32 1HD TYR 32 -11.402 -10.460 4.299 240 HD2 TYR 32 2HD TYR 32 -12.724 -6.427 4.547 241 HE1 TYR 32 1HE TYR 32 -12.415 -10.659 2.068 242 HE2 TYR 32 2HE TYR 32 -13.743 -6.612 2.320 243 HH TYR 32 HH TYR 32 -13.573 -7.942 0.323 244 H ASN 33 H ASN 33 -10.597 -8.323 8.849 245 HA ASN 33 HA ASN 33 -10.548 -5.473 9.589 246 1HB ASN 33 2HB ASN 33 -11.654 -7.239 11.221 247 2HB ASN 33 1HB ASN 33 -9.976 -7.564 11.647 248 1HD2 ASN 33 1HD2 ASN 33 -10.829 -6.798 13.751 249 2HD2 ASN 33 2HD2 ASN 33 -10.760 -5.103 14.077 250 H ILE 34 H ILE 34 -8.835 -6.766 7.722 251 HA ILE 34 HA ILE 34 -6.273 -6.666 9.179 252 HB ILE 34 HB ILE 34 -6.524 -8.073 6.554 253 1HG1 ILE 34 2HG1 ILE 34 -8.303 -8.952 8.091 254 2HG1 ILE 34 1HG1 ILE 34 -7.104 -10.147 7.603 255 1HG2 ILE 34 1HG2 ILE 34 -4.340 -8.229 6.990 256 2HG2 ILE 34 2HG2 ILE 34 -4.797 -9.458 8.168 257 3HG2 ILE 34 3HG2 ILE 34 -4.559 -7.789 8.684 258 1HD1 ILE 34 1HD1 ILE 34 -6.846 -8.640 10.173 259 2HD1 ILE 34 2HD1 ILE 34 -6.108 -10.172 9.702 260 3HD1 ILE 34 3HD1 ILE 34 -7.837 -10.093 10.044 261 H GLU 35 H GLU 35 -5.754 -4.555 8.863 262 HA GLU 35 HA GLU 35 -6.145 -2.695 7.103 263 1HB GLU 35 2HB GLU 35 -3.242 -3.328 7.462 264 2HB GLU 35 1HB GLU 35 -4.053 -1.769 7.511 265 1HG GLU 35 2HG GLU 35 -3.603 -2.054 9.720 266 2HG GLU 35 1HG GLU 35 -5.199 -2.798 9.637 267 H LYS 36 H LYS 36 -3.360 -4.767 6.300 268 HA LYS 36 HA LYS 36 -3.134 -4.100 3.652 269 1HB LYS 36 2HB LYS 36 -2.673 -6.936 3.961 270 2HB LYS 36 1HB LYS 36 -1.515 -5.644 3.677 271 1HG LYS 36 2HG LYS 36 -0.726 -6.281 5.679 272 2HG LYS 36 1HG LYS 36 -2.021 -5.248 6.288 273 1HD LYS 36 2HD LYS 36 -2.126 -7.336 7.455 274 2HD LYS 36 1HD LYS 36 -3.498 -7.260 6.347 275 1HE LYS 36 2HE LYS 36 -0.906 -8.723 5.857 276 2HE LYS 36 1HE LYS 36 -2.436 -9.465 6.319 277 1HZ LYS 36 1HZ LYS 36 -1.816 -8.053 3.785 278 2HZ LYS 36 2HZ LYS 36 -3.381 -8.508 4.239 279 3HZ LYS 36 3HZ LYS 36 -2.198 -9.690 3.985 280 H ASP 37 H ASP 37 -5.052 -6.785 4.990 281 HA ASP 37 HA ASP 37 -6.111 -7.760 2.616 282 1HB ASP 37 2HB ASP 37 -6.369 -8.485 5.186 283 2HB ASP 37 1HB ASP 37 -7.916 -7.669 4.978 284 H ILE 38 H ILE 38 -7.769 -5.557 4.880 285 HA ILE 38 HA ILE 38 -9.970 -4.905 3.430 286 HB ILE 38 HB ILE 38 -8.354 -2.821 4.897 287 1HG1 ILE 38 2HG1 ILE 38 -10.490 -4.344 6.293 288 2HG1 ILE 38 1HG1 ILE 38 -8.967 -5.185 6.020 289 1HG2 ILE 38 1HG2 ILE 38 -11.329 -3.111 4.496 290 2HG2 ILE 38 2HG2 ILE 38 -10.280 -2.004 3.611 291 3HG2 ILE 38 3HG2 ILE 38 -10.510 -1.803 5.348 292 1HD1 ILE 38 1HD1 ILE 38 -8.305 -2.642 7.012 293 2HD1 ILE 38 2HD1 ILE 38 -8.156 -4.202 7.822 294 3HD1 ILE 38 3HD1 ILE 38 -9.629 -3.250 8.005 295 H ALA 39 H ALA 39 -6.734 -3.519 3.060 296 HA ALA 39 HA ALA 39 -7.420 -1.615 1.090 297 1HB ALA 39 1HB ALA 39 -4.701 -2.847 1.203 298 2HB ALA 39 2HB ALA 39 -5.272 -1.851 2.541 299 3HB ALA 39 3HB ALA 39 -5.164 -1.168 0.919 300 H ALA 40 H ALA 40 -5.820 -4.793 0.764 301 HA ALA 40 HA ALA 40 -5.502 -5.023 -1.900 302 1HB ALA 40 1HB ALA 40 -6.509 -7.490 -1.405 303 2HB ALA 40 2HB ALA 40 -6.153 -6.937 0.232 304 3HB ALA 40 3HB ALA 40 -4.875 -6.979 -0.982 305 H HIS 41 H HIS 41 -8.558 -5.702 -0.211 306 HA HIS 41 HA HIS 41 -10.067 -6.221 -2.537 307 1HB HIS 41 2HB HIS 41 -11.536 -5.083 -0.251 308 2HB HIS 41 1HB HIS 41 -11.780 -6.602 -1.107 309 HD1 HIS 41 1HD HIS 41 -11.474 -5.877 2.123 310 HD2 HIS 41 2HD HIS 41 -8.933 -8.044 -0.347 311 HE1 HIS 41 1HE HIS 41 -10.140 -7.354 3.659 312 HE2 HIS 41 2HE HIS 41 -8.685 -8.730 2.133 313 H ILE 42 H ILE 42 -9.955 -3.321 -0.464 314 HA ILE 42 HA ILE 42 -11.649 -1.662 -1.811 315 HB ILE 42 HB ILE 42 -8.986 -0.872 -0.624 316 1HG1 ILE 42 2HG1 ILE 42 -11.739 -0.796 0.624 317 2HG1 ILE 42 1HG1 ILE 42 -10.574 -2.089 0.896 318 1HG2 ILE 42 1HG2 ILE 42 -10.032 0.800 -2.166 319 2HG2 ILE 42 2HG2 ILE 42 -9.816 1.358 -0.506 320 3HG2 ILE 42 3HG2 ILE 42 -11.410 0.856 -1.067 321 1HD1 ILE 42 1HD1 ILE 42 -10.145 -0.802 2.712 322 2HD1 ILE 42 2HD1 ILE 42 -10.591 0.697 1.897 323 3HD1 ILE 42 3HD1 ILE 42 -9.029 -0.054 1.570 324 H LYS 43 H LYS 43 -8.147 -1.904 -2.445 325 HA LYS 43 HA LYS 43 -8.112 -0.235 -4.687 326 1HB LYS 43 2HB LYS 43 -6.190 -1.390 -3.246 327 2HB LYS 43 1HB LYS 43 -6.224 -2.537 -4.577 328 1HG LYS 43 2HG LYS 43 -6.188 -0.130 -5.879 329 2HG LYS 43 1HG LYS 43 -5.176 0.178 -4.466 330 1HD LYS 43 2HD LYS 43 -3.654 -0.625 -6.024 331 2HD LYS 43 1HD LYS 43 -4.045 -2.066 -5.084 332 1HE LYS 43 2HE LYS 43 -5.957 -2.130 -7.027 333 2HE LYS 43 1HE LYS 43 -4.587 -1.437 -7.895 334 1HZ LYS 43 1HZ LYS 43 -4.559 -3.824 -8.073 335 2HZ LYS 43 2HZ LYS 43 -4.599 -3.999 -6.391 336 3HZ LYS 43 3HZ LYS 43 -3.240 -3.324 -7.137 337 H LYS 44 H LYS 44 -7.656 -3.767 -4.823 338 HA LYS 44 HA LYS 44 -7.937 -4.303 -7.415 339 1HB LYS 44 2HB LYS 44 -7.823 -5.949 -5.459 340 2HB LYS 44 1HB LYS 44 -9.579 -5.870 -5.436 341 1HG LYS 44 2HG LYS 44 -8.040 -6.602 -7.908 342 2HG LYS 44 1HG LYS 44 -8.526 -7.795 -6.702 343 1HD LYS 44 2HD LYS 44 -10.696 -6.020 -7.516 344 2HD LYS 44 1HD LYS 44 -10.035 -6.972 -8.848 345 1HE LYS 44 2HE LYS 44 -11.098 -8.022 -6.227 346 2HE LYS 44 1HE LYS 44 -11.860 -8.171 -7.810 347 1HZ LYS 44 1HZ LYS 44 -9.315 -9.205 -8.085 348 2HZ LYS 44 2HZ LYS 44 -10.768 -10.068 -8.045 349 3HZ LYS 44 3HZ LYS 44 -9.893 -9.821 -6.619 350 H GLU 45 H GLU 45 -10.799 -4.133 -5.310 351 HA GLU 45 HA GLU 45 -12.710 -4.245 -7.336 352 1HB GLU 45 2HB GLU 45 -12.674 -3.824 -4.515 353 2HB GLU 45 1HB GLU 45 -13.711 -2.602 -5.240 354 1HG GLU 45 2HG GLU 45 -15.335 -4.075 -5.516 355 2HG GLU 45 1HG GLU 45 -14.265 -5.146 -6.422 356 H PHE 46 H PHE 46 -11.237 -1.420 -5.767 357 HA PHE 46 HA PHE 46 -12.688 0.549 -7.124 358 1HB PHE 46 2HB PHE 46 -10.539 0.462 -5.287 359 2HB PHE 46 1HB PHE 46 -10.001 1.444 -6.646 360 HD1 PHE 46 1HD PHE 46 -12.847 1.038 -4.288 361 HD2 PHE 46 2HD PHE 46 -10.605 3.669 -6.765 362 HE1 PHE 46 1HE PHE 46 -14.119 2.949 -3.401 363 HE2 PHE 46 2HE PHE 46 -11.869 5.587 -5.883 364 HZ PHE 46 HZ PHE 46 -13.630 5.227 -4.198 365 H ASP 47 H ASP 47 -10.254 -1.570 -8.235 366 HA ASP 47 HA ASP 47 -9.473 0.116 -10.467 367 1HB ASP 47 2HB ASP 47 -8.623 -2.574 -9.448 368 2HB ASP 47 1HB ASP 47 -8.230 -2.101 -11.099 369 H LYS 48 H LYS 48 -11.491 -2.669 -9.804 370 HA LYS 48 HA LYS 48 -12.190 -2.895 -12.638 371 1HB LYS 48 2HB LYS 48 -12.061 -4.747 -10.406 372 2HB LYS 48 1HB LYS 48 -13.617 -4.829 -11.220 373 1HG LYS 48 2HG LYS 48 -10.931 -5.119 -12.548 374 2HG LYS 48 1HG LYS 48 -12.021 -6.441 -12.124 375 1HD LYS 48 2HD LYS 48 -12.902 -4.180 -13.892 376 2HD LYS 48 1HD LYS 48 -12.055 -5.584 -14.543 377 1HE LYS 48 2HE LYS 48 -13.820 -6.999 -13.395 378 2HE LYS 48 1HE LYS 48 -14.713 -5.500 -13.137 379 1HZ LYS 48 1HZ LYS 48 -14.532 -5.169 -15.611 380 2HZ LYS 48 2HZ LYS 48 -15.541 -6.431 -15.113 381 3HZ LYS 48 3HZ LYS 48 -13.998 -6.771 -15.714 382 H LYS 49 H LYS 49 -13.124 -1.008 -10.242 383 HA LYS 49 HA LYS 49 -15.962 -1.118 -11.003 384 1HB LYS 49 2HB LYS 49 -15.288 -1.768 -8.578 385 2HB LYS 49 1HB LYS 49 -15.048 -0.041 -8.355 386 1HG LYS 49 2HG LYS 49 -17.471 0.099 -9.360 387 2HG LYS 49 1HG LYS 49 -17.562 -1.568 -8.788 388 1HD LYS 49 2HD LYS 49 -17.221 -0.942 -6.557 389 2HD LYS 49 1HD LYS 49 -16.601 0.647 -7.006 390 1HE LYS 49 2HE LYS 49 -19.325 -0.211 -6.512 391 2HE LYS 49 1HE LYS 49 -18.651 1.416 -6.586 392 1HZ LYS 49 1HZ LYS 49 -20.418 0.621 -8.314 393 2HZ LYS 49 2HZ LYS 49 -19.072 -0.043 -9.095 394 3HZ LYS 49 3HZ LYS 49 -19.139 1.620 -8.792 395 H TYR 50 H TYR 50 -13.286 0.546 -11.570 396 HA TYR 50 HA TYR 50 -14.751 3.016 -12.017 397 1HB TYR 50 2HB TYR 50 -12.195 2.944 -10.405 398 2HB TYR 50 1HB TYR 50 -12.980 4.406 -10.990 399 HD1 TYR 50 1HD TYR 50 -15.271 4.990 -10.114 400 HD2 TYR 50 2HD TYR 50 -12.897 1.898 -8.406 401 HE1 TYR 50 1HE TYR 50 -16.640 5.073 -8.072 402 HE2 TYR 50 2HE TYR 50 -14.261 1.972 -6.361 403 HH TYR 50 HH TYR 50 -17.217 3.406 -6.172 404 H ASN 51 H ASN 51 -11.321 2.002 -12.049 405 HA ASN 51 HA ASN 51 -10.873 1.488 -14.650 406 1HB ASN 51 2HB ASN 51 -11.414 4.372 -14.275 407 2HB ASN 51 1HB ASN 51 -9.994 3.986 -15.243 408 1HD2 ASN 51 1HD2 ASN 51 -12.617 5.167 -15.946 409 2HD2 ASN 51 2HD2 ASN 51 -13.229 4.181 -17.226 410 HA PRO 52 HA PRO 52 -7.111 0.869 -12.222 411 1HB PRO 52 2HB PRO 52 -6.255 0.235 -15.018 412 2HB PRO 52 1HB PRO 52 -5.912 -0.631 -13.515 413 1HG PRO 52 2HG PRO 52 -7.771 -1.519 -15.201 414 2HG PRO 52 1HG PRO 52 -8.010 -1.613 -13.447 415 1HD PRO 52 2HD PRO 52 -9.268 0.195 -15.435 416 2HD PRO 52 1HD PRO 52 -9.901 -0.402 -13.888 417 H THR 53 H THR 53 -4.699 3.350 -13.010 418 HA THR 53 HA THR 53 -5.528 0.850 -11.699 419 HB THR 53 HB THR 53 -2.836 1.902 -12.474 420 HG1 THR 53 1HG THR 53 -4.308 -0.448 -12.750 421 1HG2 THR 53 1HG2 THR 53 -1.649 0.531 -10.977 422 2HG2 THR 53 2HG2 THR 53 -3.127 -0.217 -10.370 423 3HG2 THR 53 3HG2 THR 53 -2.774 1.471 -9.995 424 H TRP 54 H TRP 54 -5.858 0.895 -9.547 425 HA TRP 54 HA TRP 54 -5.477 3.463 -8.194 426 1HB TRP 54 2HB TRP 54 -7.099 1.052 -7.363 427 2HB TRP 54 1HB TRP 54 -7.046 2.594 -6.516 428 HD1 TRP 54 HD TRP 54 -8.215 1.128 -9.893 429 HE1 TRP 54 1HE TRP 54 -10.142 2.587 -10.768 430 HE3 TRP 54 3HE TRP 54 -8.159 4.786 -6.323 431 HZ2 TRP 54 2HZ TRP 54 -11.476 4.959 -10.042 432 HZ3 TRP 54 3HZ TRP 54 -9.793 6.617 -6.493 433 HH2 TRP 54 HH TRP 54 -11.416 6.702 -8.310 434 H HIS 55 H HIS 55 -4.982 3.367 -5.861 435 HA HIS 55 HA HIS 55 -3.418 1.172 -4.856 436 1HB HIS 55 2HB HIS 55 -1.852 3.680 -4.802 437 2HB HIS 55 1HB HIS 55 -1.308 2.019 -5.006 438 HD1 HIS 55 1HD HIS 55 -0.249 1.688 -7.201 439 HD2 HIS 55 2HD HIS 55 -3.328 4.473 -7.391 440 HE1 HIS 55 1HE HIS 55 -0.339 2.429 -9.603 441 HE2 HIS 55 2HE HIS 55 -2.235 4.085 -9.703 442 H CYS 56 H CYS 56 -4.356 1.051 -2.900 443 HA CYS 56 HA CYS 56 -4.705 3.567 -1.404 444 1HB CYS 56 2HB CYS 56 -6.613 2.351 -0.253 445 2HB CYS 56 1HB CYS 56 -6.878 2.819 -1.929 446 HG CYS 56 HG CYS 56 -7.681 0.430 -1.863 447 H ILE 57 H ILE 57 -4.461 3.529 0.837 448 HA ILE 57 HA ILE 57 -3.079 1.181 1.958 449 HB ILE 57 HB ILE 57 -2.329 4.049 2.536 450 1HG1 ILE 57 2HG1 ILE 57 -1.543 3.630 0.338 451 2HG1 ILE 57 1HG1 ILE 57 -0.158 3.378 1.390 452 1HG2 ILE 57 1HG2 ILE 57 -0.443 3.063 3.750 453 2HG2 ILE 57 2HG2 ILE 57 -1.062 1.450 3.397 454 3HG2 ILE 57 3HG2 ILE 57 -1.990 2.547 4.419 455 1HD1 ILE 57 1HD1 ILE 57 -1.299 1.607 -0.500 456 2HD1 ILE 57 2HD1 ILE 57 -1.466 0.893 1.103 457 3HD1 ILE 57 3HD1 ILE 57 0.124 1.377 0.514 458 H VAL 58 H VAL 58 -4.550 0.405 3.362 459 HA VAL 58 HA VAL 58 -6.018 2.315 5.041 460 HB VAL 58 HB VAL 58 -7.479 0.820 3.856 461 1HG1 VAL 58 1HG1 VAL 58 -7.107 -1.703 4.876 462 2HG1 VAL 58 2HG1 VAL 58 -5.460 -1.143 4.588 463 3HG1 VAL 58 3HG1 VAL 58 -6.630 -1.157 3.269 464 1HG2 VAL 58 1HG2 VAL 58 -7.660 1.333 6.469 465 2HG2 VAL 58 2HG2 VAL 58 -7.570 -0.427 6.540 466 3HG2 VAL 58 3HG2 VAL 58 -8.847 0.354 5.608 467 H GLY 59 H GLY 59 -5.493 2.567 7.091 468 1HA GLY 59 2HA GLY 59 -4.418 0.330 8.621 469 2HA GLY 59 1HA GLY 59 -3.386 1.747 8.464 470 H ARG 60 H ARG 60 -3.414 2.746 10.385 471 HA ARG 60 HA ARG 60 -5.881 3.859 11.334 472 1HB ARG 60 2HB ARG 60 -5.314 2.847 13.686 473 2HB ARG 60 1HB ARG 60 -6.279 1.949 12.524 474 1HG ARG 60 2HG ARG 60 -3.843 1.088 11.830 475 2HG ARG 60 1HG ARG 60 -3.563 1.427 13.539 476 1HD ARG 60 2HD ARG 60 -6.018 0.116 13.467 477 2HD ARG 60 1HD ARG 60 -5.018 -0.745 12.297 478 HE ARG 60 HE ARG 60 -3.371 -0.608 14.390 479 1HH1 ARG 60 1HH1 ARG 60 -6.740 -1.465 14.196 480 2HH1 ARG 60 2HH1 ARG 60 -6.672 -2.567 15.531 481 1HH2 ARG 60 1HH2 ARG 60 -3.271 -2.052 16.158 482 2HH2 ARG 60 2HH2 ARG 60 -4.700 -2.899 16.646 483 H ASN 61 H ASN 61 -2.739 4.169 10.721 484 HA ASN 61 HA ASN 61 -2.353 6.645 11.787 485 1HB ASN 61 2HB ASN 61 -2.645 5.680 14.016 486 2HB ASN 61 1HB ASN 61 -1.335 4.542 13.711 487 1HD2 ASN 61 1HD2 ASN 61 0.555 5.090 14.502 488 2HD2 ASN 61 2HD2 ASN 61 1.090 6.696 14.854 489 H PHE 62 H PHE 62 -1.574 4.933 9.589 490 HA PHE 62 HA PHE 62 1.258 4.482 9.782 491 1HB PHE 62 2HB PHE 62 1.110 3.925 7.385 492 2HB PHE 62 1HB PHE 62 -0.107 3.074 8.330 493 HD1 PHE 62 1HD PHE 62 -2.426 3.446 7.981 494 HD2 PHE 62 2HD PHE 62 0.464 5.812 5.941 495 HE1 PHE 62 1HE PHE 62 -4.187 4.308 6.495 496 HE2 PHE 62 2HE PHE 62 -1.292 6.680 4.451 497 HZ PHE 62 HZ PHE 62 -3.623 5.929 4.728 498 H GLY 63 H GLY 63 2.502 5.391 7.673 499 1HA GLY 63 2HA GLY 63 2.064 8.313 7.644 500 2HA GLY 63 1HA GLY 63 3.667 7.618 7.831 501 H SER 64 H SER 64 0.907 7.798 5.631 502 HA SER 64 HA SER 64 2.290 6.732 3.388 503 1HB SER 64 2HB SER 64 0.365 7.525 2.080 504 2HB SER 64 1HB SER 64 -0.161 6.694 3.544 505 HG SER 64 HG SER 64 -1.170 8.452 4.050 506 H TYR 65 H TYR 65 2.998 7.805 1.506 507 HA TYR 65 HA TYR 65 3.195 10.651 1.371 508 1HB TYR 65 2HB TYR 65 5.029 9.838 3.039 509 2HB TYR 65 1HB TYR 65 5.862 9.289 1.589 510 HD1 TYR 65 1HD TYR 65 4.443 12.289 3.246 511 HD2 TYR 65 2HD TYR 65 7.054 10.806 0.230 512 HE1 TYR 65 1HE TYR 65 5.324 14.559 2.902 513 HE2 TYR 65 2HE TYR 65 7.943 13.072 -0.121 514 HH TYR 65 HH TYR 65 8.143 15.194 1.167 515 H VAL 66 H VAL 66 2.034 9.223 -0.443 516 HA VAL 66 HA VAL 66 3.825 8.233 -2.473 517 HB VAL 66 HB VAL 66 1.699 8.077 -3.845 518 1HG1 VAL 66 1HG1 VAL 66 1.575 6.667 -1.185 519 2HG1 VAL 66 2HG1 VAL 66 2.691 6.225 -2.476 520 3HG1 VAL 66 3HG1 VAL 66 0.951 6.104 -2.735 521 1HG2 VAL 66 1HG2 VAL 66 -0.110 9.162 -3.154 522 2HG2 VAL 66 2HG2 VAL 66 0.728 9.670 -1.687 523 3HG2 VAL 66 3HG2 VAL 66 -0.155 8.144 -1.715 524 H THR 67 H THR 67 2.488 9.150 -4.777 525 HA THR 67 HA THR 67 2.583 12.033 -4.811 526 HB THR 67 HB THR 67 4.513 10.688 -6.662 527 HG1 THR 67 1HG THR 67 5.133 10.028 -4.580 528 1HG2 THR 67 1HG2 THR 67 5.734 12.880 -6.248 529 2HG2 THR 67 2HG2 THR 67 4.230 13.438 -5.514 530 3HG2 THR 67 3HG2 THR 67 4.253 12.938 -7.205 531 H HIS 68 H HIS 68 0.551 12.066 -5.696 532 HA HIS 68 HA HIS 68 0.312 11.828 -8.482 533 1HB HIS 68 2HB HIS 68 0.287 9.439 -8.149 534 2HB HIS 68 1HB HIS 68 -0.933 9.581 -6.888 535 HD1 HIS 68 1HD HIS 68 -0.505 9.429 -10.567 536 HD2 HIS 68 2HD HIS 68 -3.556 10.123 -7.835 537 HE1 HIS 68 1HE HIS 68 -2.640 9.248 -11.884 538 HE2 HIS 68 2HE HIS 68 -4.465 9.779 -10.232 539 H GLU 69 H GLU 69 -2.394 10.704 -6.633 540 HA GLU 69 HA GLU 69 -4.476 11.629 -6.387 541 1HB GLU 69 2HB GLU 69 -3.306 14.157 -5.385 542 2HB GLU 69 1HB GLU 69 -4.509 13.104 -4.653 543 1HG GLU 69 2HG GLU 69 -2.929 11.745 -3.681 544 2HG GLU 69 1HG GLU 69 -1.680 12.189 -4.842 545 H THR 70 H THR 70 -4.677 11.812 -8.757 546 HA THR 70 HA THR 70 -4.520 14.571 -9.741 547 HB THR 70 HB THR 70 -5.083 12.093 -11.367 548 HG1 THR 70 1HG THR 70 -2.985 11.774 -11.568 549 1HG2 THR 70 1HG2 THR 70 -3.632 14.384 -12.500 550 2HG2 THR 70 2HG2 THR 70 -5.343 14.640 -12.159 551 3HG2 THR 70 3HG2 THR 70 -4.843 13.327 -13.225 552 H LYS 71 H LYS 71 -6.752 11.890 -9.259 553 HA LYS 71 HA LYS 71 -8.984 13.540 -8.877 554 1HB LYS 71 2HB LYS 71 -10.272 13.058 -10.918 555 2HB LYS 71 1HB LYS 71 -8.823 13.993 -11.265 556 1HG LYS 71 2HG LYS 71 -7.700 12.064 -12.118 557 2HG LYS 71 1HG LYS 71 -9.013 11.009 -11.594 558 1HD LYS 71 2HD LYS 71 -9.295 11.339 -13.927 559 2HD LYS 71 1HD LYS 71 -10.524 12.322 -13.128 560 1HE LYS 71 2HE LYS 71 -9.705 14.199 -14.003 561 2HE LYS 71 1HE LYS 71 -8.067 13.798 -13.490 562 1HZ LYS 71 1HZ LYS 71 -9.277 13.553 -16.074 563 2HZ LYS 71 2HZ LYS 71 -8.520 12.123 -15.583 564 3HZ LYS 71 3HZ LYS 71 -7.640 13.565 -15.646 565 H HIS 72 H HIS 72 -7.444 10.860 -8.367 566 HA HIS 72 HA HIS 72 -9.879 9.330 -7.793 567 1HB HIS 72 2HB HIS 72 -7.370 8.024 -8.847 568 2HB HIS 72 1HB HIS 72 -8.945 7.279 -8.589 569 HD1 HIS 72 1HD HIS 72 -10.911 8.382 -10.195 570 HD2 HIS 72 2HD HIS 72 -6.958 8.799 -11.404 571 HE1 HIS 72 1HE HIS 72 -11.013 8.935 -12.645 572 HE2 HIS 72 2HE HIS 72 -8.606 9.067 -13.379 573 H PHE 73 H PHE 73 -7.936 11.005 -6.250 574 HA PHE 73 HA PHE 73 -6.885 8.973 -4.406 575 1HB PHE 73 2HB PHE 73 -5.132 10.421 -5.049 576 2HB PHE 73 1HB PHE 73 -6.149 11.851 -4.899 577 HD1 PHE 73 1HD PHE 73 -6.740 12.721 -2.671 578 HD2 PHE 73 2HD PHE 73 -3.995 9.509 -3.176 579 HE1 PHE 73 1HE PHE 73 -5.921 13.064 -0.376 580 HE2 PHE 73 2HE PHE 73 -3.172 9.845 -0.882 581 HZ PHE 73 HZ PHE 73 -4.136 11.625 0.522 582 H ILE 74 H ILE 74 -6.921 9.682 -2.049 583 HA ILE 74 HA ILE 74 -8.647 11.527 -0.967 584 HB ILE 74 HB ILE 74 -10.339 10.148 -2.318 585 1HG1 ILE 74 2HG1 ILE 74 -10.588 10.881 0.587 586 2HG1 ILE 74 1HG1 ILE 74 -11.217 11.723 -0.822 587 1HG2 ILE 74 1HG2 ILE 74 -9.279 7.977 -1.400 588 2HG2 ILE 74 2HG2 ILE 74 -11.032 8.064 -1.569 589 3HG2 ILE 74 3HG2 ILE 74 -10.288 8.274 0.016 590 1HD1 ILE 74 1HD1 ILE 74 -13.091 10.815 0.221 591 2HD1 ILE 74 2HD1 ILE 74 -12.288 9.276 0.533 592 3HD1 ILE 74 3HD1 ILE 74 -12.759 9.710 -1.111 593 H TYR 75 H TYR 75 -7.896 11.659 1.037 594 HA TYR 75 HA TYR 75 -7.126 9.177 2.421 595 1HB TYR 75 2HB TYR 75 -5.274 10.821 1.822 596 2HB TYR 75 1HB TYR 75 -5.993 11.914 2.999 597 HD1 TYR 75 1HD TYR 75 -5.861 8.254 3.437 598 HD2 TYR 75 2HD TYR 75 -4.116 11.992 4.475 599 HE1 TYR 75 1HE TYR 75 -4.588 7.154 5.229 600 HE2 TYR 75 2HE TYR 75 -2.837 10.904 6.269 601 HH TYR 75 HH TYR 75 -3.485 8.217 7.624 602 H PHE 76 H PHE 76 -8.603 8.667 3.879 603 HA PHE 76 HA PHE 76 -9.661 10.785 5.624 604 1HB PHE 76 2HB PHE 76 -11.815 9.422 5.673 605 2HB PHE 76 1HB PHE 76 -11.485 10.313 4.193 606 HD1 PHE 76 1HD PHE 76 -12.534 7.256 5.471 607 HD2 PHE 76 2HD PHE 76 -10.097 8.914 2.401 608 HE1 PHE 76 1HE PHE 76 -12.755 5.176 4.178 609 HE2 PHE 76 2HE PHE 76 -10.315 6.837 1.100 610 HZ PHE 76 HZ PHE 76 -11.645 4.964 1.989 611 H TYR 77 H TYR 77 -10.882 9.659 7.540 612 HA TYR 77 HA TYR 77 -9.387 7.304 8.454 613 1HB TYR 77 2HB TYR 77 -8.214 9.103 9.498 614 2HB TYR 77 1HB TYR 77 -9.714 9.909 9.943 615 HD1 TYR 77 1HD TYR 77 -7.268 7.410 10.877 616 HD2 TYR 77 2HD TYR 77 -11.138 8.948 11.748 617 HE1 TYR 77 1HE TYR 77 -7.220 6.282 13.061 618 HE2 TYR 77 2HE TYR 77 -11.100 7.826 13.934 619 HH TYR 77 HH TYR 77 -8.530 6.816 15.439 620 H LEU 78 H LEU 78 -11.006 5.848 8.532 621 HA LEU 78 HA LEU 78 -13.693 6.418 9.101 622 1HB LEU 78 2HB LEU 78 -12.126 3.857 9.273 623 2HB LEU 78 1HB LEU 78 -13.853 3.935 9.552 624 HG LEU 78 HG LEU 78 -12.998 3.209 7.229 625 1HD1 LEU 78 1HD1 LEU 78 -15.060 5.398 7.410 626 2HD1 LEU 78 2HD1 LEU 78 -15.339 3.703 7.808 627 3HD1 LEU 78 3HD1 LEU 78 -14.932 4.165 6.156 628 1HD2 LEU 78 1HD2 LEU 78 -12.943 5.400 5.765 629 2HD2 LEU 78 2HD2 LEU 78 -11.476 4.754 6.500 630 3HD2 LEU 78 3HD2 LEU 78 -12.319 6.106 7.256 631 H GLY 79 H GLY 79 -14.810 5.081 10.986 632 1HA GLY 79 2HA GLY 79 -14.711 6.353 13.311 633 2HA GLY 79 1HA GLY 79 -14.965 4.615 13.270 634 H GLN 80 H GLN 80 -12.416 3.798 12.452 635 HA GLN 80 HA GLN 80 -10.477 4.916 14.285 636 1HB GLN 80 2HB GLN 80 -10.098 2.602 15.315 637 2HB GLN 80 1HB GLN 80 -11.486 3.519 15.882 638 1HG GLN 80 2HG GLN 80 -12.255 1.910 13.648 639 2HG GLN 80 1HG GLN 80 -11.436 0.911 14.849 640 1HE2 GLN 80 1HE2 GLN 80 -13.185 -0.174 15.597 641 2HE2 GLN 80 2HE2 GLN 80 -14.501 0.572 16.433 642 H VAL 81 H VAL 81 -10.457 4.798 11.523 643 HA VAL 81 HA VAL 81 -8.047 3.258 11.077 644 HB VAL 81 HB VAL 81 -10.581 2.698 9.538 645 1HG1 VAL 81 1HG1 VAL 81 -7.901 1.554 8.827 646 2HG1 VAL 81 2HG1 VAL 81 -8.475 3.063 8.117 647 3HG1 VAL 81 3HG1 VAL 81 -9.389 1.573 7.878 648 1HG2 VAL 81 1HG2 VAL 81 -10.594 1.199 11.265 649 2HG2 VAL 81 2HG2 VAL 81 -8.835 1.169 11.399 650 3HG2 VAL 81 3HG2 VAL 81 -9.637 0.300 10.089 651 H ALA 82 H ALA 82 -7.162 3.681 8.848 652 HA ALA 82 HA ALA 82 -8.027 6.271 7.766 653 1HB ALA 82 1HB ALA 82 -6.234 7.216 8.716 654 2HB ALA 82 2HB ALA 82 -5.304 6.378 7.474 655 3HB ALA 82 3HB ALA 82 -5.490 5.657 9.073 656 H ILE 83 H ILE 83 -8.549 5.928 5.712 657 HA ILE 83 HA ILE 83 -7.081 3.879 4.204 658 HB ILE 83 HB ILE 83 -9.486 5.036 2.967 659 1HG1 ILE 83 2HG1 ILE 83 -10.109 4.945 5.396 660 2HG1 ILE 83 1HG1 ILE 83 -11.081 3.896 4.367 661 1HG2 ILE 83 1HG2 ILE 83 -8.845 2.153 3.495 662 2HG2 ILE 83 2HG2 ILE 83 -8.057 3.064 2.206 663 3HG2 ILE 83 3HG2 ILE 83 -9.808 2.850 2.192 664 1HD1 ILE 83 1HD1 ILE 83 -9.026 3.182 6.397 665 2HD1 ILE 83 2HD1 ILE 83 -9.342 2.085 5.053 666 3HD1 ILE 83 3HD1 ILE 83 -10.646 2.531 6.154 667 H LEU 84 H LEU 84 -5.631 4.525 2.790 668 HA LEU 84 HA LEU 84 -5.775 7.264 1.732 669 1HB LEU 84 2HB LEU 84 -3.700 7.065 2.737 670 2HB LEU 84 1HB LEU 84 -3.536 5.374 2.306 671 HG LEU 84 HG LEU 84 -3.498 6.551 -0.154 672 1HD1 LEU 84 1HD1 LEU 84 -2.874 8.677 -0.103 673 2HD1 LEU 84 2HD1 LEU 84 -1.544 8.311 0.997 674 3HD1 LEU 84 3HD1 LEU 84 -3.147 8.669 1.639 675 1HD2 LEU 84 1HD2 LEU 84 -1.568 5.447 -0.232 676 2HD2 LEU 84 2HD2 LEU 84 -1.793 5.081 1.478 677 3HD2 LEU 84 3HD2 LEU 84 -0.847 6.489 0.994 678 H LEU 85 H LEU 85 -7.187 6.928 0.028 679 HA LEU 85 HA LEU 85 -6.504 4.889 -1.948 680 1HB LEU 85 2HB LEU 85 -8.921 5.971 -1.005 681 2HB LEU 85 1HB LEU 85 -8.773 6.499 -2.670 682 HG LEU 85 HG LEU 85 -8.271 4.009 -3.180 683 1HD1 LEU 85 1HD1 LEU 85 -8.020 3.389 -0.793 684 2HD1 LEU 85 2HD1 LEU 85 -9.216 2.419 -1.652 685 3HD1 LEU 85 3HD1 LEU 85 -9.741 3.706 -0.568 686 1HD2 LEU 85 1HD2 LEU 85 -10.881 5.307 -2.585 687 2HD2 LEU 85 2HD2 LEU 85 -10.863 3.585 -2.964 688 3HD2 LEU 85 3HD2 LEU 85 -10.219 4.748 -4.122 689 H PHE 86 H PHE 86 -5.499 5.309 -3.775 690 HA PHE 86 HA PHE 86 -5.751 7.840 -5.128 691 1HB PHE 86 2HB PHE 86 -3.460 8.512 -5.049 692 2HB PHE 86 1HB PHE 86 -3.959 8.221 -3.386 693 HD1 PHE 86 1HD PHE 86 -1.986 6.933 -6.199 694 HD2 PHE 86 2HD PHE 86 -2.992 6.468 -2.091 695 HE1 PHE 86 1HE PHE 86 -0.108 5.370 -5.921 696 HE2 PHE 86 2HE PHE 86 -1.113 4.905 -1.804 697 HZ PHE 86 HZ PHE 86 0.331 4.354 -3.721 698 H LYS 87 H LYS 87 -5.187 7.715 -7.299 699 HA LYS 87 HA LYS 87 -4.549 5.009 -8.257 700 1HB LYS 87 2HB LYS 87 -6.424 7.038 -9.095 701 2HB LYS 87 1HB LYS 87 -5.353 6.615 -10.422 702 1HG LYS 87 2HG LYS 87 -5.975 4.301 -10.247 703 2HG LYS 87 1HG LYS 87 -6.945 4.637 -8.811 704 1HD LYS 87 2HD LYS 87 -8.470 4.523 -10.605 705 2HD LYS 87 1HD LYS 87 -8.273 6.239 -10.248 706 1HE LYS 87 2HE LYS 87 -7.796 4.828 -12.697 707 2HE LYS 87 1HE LYS 87 -7.765 6.563 -12.388 708 1HZ LYS 87 1HZ LYS 87 -5.480 6.435 -11.776 709 2HZ LYS 87 2HZ LYS 87 -5.652 5.646 -13.261 710 3HZ LYS 87 3HZ LYS 87 -5.484 4.744 -11.841 711 H SER 88 H SER 88 -3.719 5.493 -10.776 712 HA SER 88 HA SER 88 -1.522 7.397 -10.689 713 1HB SER 88 2HB SER 88 -1.135 4.624 -10.200 714 2HB SER 88 1HB SER 88 -0.479 4.977 -11.797 715 HG SER 88 HG SER 88 1.153 5.437 -10.426 716 H GLY 89 H GLY 89 -4.089 6.713 -12.116 717 1HA GLY 89 2HA GLY 89 -4.953 6.826 -14.246 718 2HA GLY 89 1HA GLY 89 -3.542 7.813 -14.596 719 1H MET 1 1HT MET 1 25.253 -5.714 12.450 720 2H MET 1 2HT MET 1 26.303 -4.404 12.093 721 3H MET 1 3HT MET 1 26.155 -5.712 10.993 722 HA MET 1 HA MET 1 23.643 -4.979 11.171 723 1HB MET 1 2HB MET 1 24.712 -3.067 12.658 724 2HB MET 1 1HB MET 1 25.049 -2.343 11.092 725 1HG MET 1 2HG MET 1 22.635 -2.542 10.547 726 2HG MET 1 1HG MET 1 22.357 -3.099 12.197 727 1HE MET 1 1HE MET 1 20.762 0.325 12.181 728 2HE MET 1 2HE MET 1 20.951 -0.795 13.530 729 3HE MET 1 3HE MET 1 20.587 -1.410 11.919 730 H CYS 2 H CYS 2 23.454 -5.734 9.143 731 HA CYS 2 HA CYS 2 25.300 -5.223 7.058 732 1HB CYS 2 2HB CYS 2 22.834 -5.902 5.884 733 2HB CYS 2 1HB CYS 2 24.185 -6.975 6.229 734 HG CYS 2 HG CYS 2 21.553 -7.199 7.497 735 H ASP 3 H ASP 3 23.601 -3.001 8.524 736 HA ASP 3 HA ASP 3 22.866 -0.910 8.013 737 1HB ASP 3 2HB ASP 3 25.020 -1.076 6.578 738 2HB ASP 3 1HB ASP 3 23.919 -1.254 5.217 739 H ARG 4 H ARG 4 21.546 -3.584 6.904 740 HA ARG 4 HA ARG 4 19.505 -2.195 5.296 741 1HB ARG 4 2HB ARG 4 20.787 -4.848 5.018 742 2HB ARG 4 1HB ARG 4 19.054 -4.798 4.723 743 1HG ARG 4 2HG ARG 4 19.973 -4.463 2.624 744 2HG ARG 4 1HG ARG 4 19.581 -2.830 3.161 745 1HD ARG 4 2HD ARG 4 21.693 -2.290 2.716 746 2HD ARG 4 1HD ARG 4 22.151 -3.266 4.110 747 HE ARG 4 HE ARG 4 21.888 -4.970 1.915 748 1HH1 ARG 4 1HH1 ARG 4 23.911 -2.345 2.984 749 2HH1 ARG 4 2HH1 ARG 4 25.303 -2.891 2.111 750 1HH2 ARG 4 1HH2 ARG 4 23.717 -5.700 0.762 751 2HH2 ARG 4 2HH2 ARG 4 25.193 -4.799 0.849 752 H LYS 5 H LYS 5 18.831 -1.675 7.628 753 HA LYS 5 HA LYS 5 17.544 -3.802 9.082 754 1HB LYS 5 2HB LYS 5 18.383 -1.127 9.618 755 2HB LYS 5 1HB LYS 5 16.671 -1.255 9.999 756 1HG LYS 5 2HG LYS 5 18.279 -3.484 10.994 757 2HG LYS 5 1HG LYS 5 18.711 -1.915 11.676 758 1HD LYS 5 2HD LYS 5 15.860 -2.168 11.582 759 2HD LYS 5 1HD LYS 5 16.550 -3.581 12.384 760 1HE LYS 5 2HE LYS 5 17.092 -2.399 14.199 761 2HE LYS 5 1HE LYS 5 17.810 -1.110 13.236 762 1HZ LYS 5 1HZ LYS 5 16.011 0.142 13.499 763 2HZ LYS 5 2HZ LYS 5 15.482 -0.967 14.662 764 3HZ LYS 5 3HZ LYS 5 14.963 -1.111 13.058 765 H ALA 6 H ALA 6 15.606 -4.580 8.607 766 HA ALA 6 HA ALA 6 13.232 -3.307 8.435 767 1HB ALA 6 1HB ALA 6 14.032 -1.967 6.591 768 2HB ALA 6 2HB ALA 6 12.760 -3.051 6.027 769 3HB ALA 6 3HB ALA 6 14.450 -3.417 5.680 770 H VAL 7 H VAL 7 11.807 -4.550 6.446 771 HA VAL 7 HA VAL 7 12.500 -7.352 6.330 772 HB VAL 7 HB VAL 7 9.975 -6.566 7.786 773 1HG1 VAL 7 1HG1 VAL 7 11.155 -9.119 6.849 774 2HG1 VAL 7 2HG1 VAL 7 9.466 -8.623 6.959 775 3HG1 VAL 7 3HG1 VAL 7 10.334 -9.125 8.410 776 1HG2 VAL 7 1HG2 VAL 7 12.343 -7.887 9.065 777 2HG2 VAL 7 2HG2 VAL 7 10.978 -7.073 9.829 778 3HG2 VAL 7 3HG2 VAL 7 12.207 -6.130 8.987 779 H ILE 8 H ILE 8 12.395 -6.484 4.069 780 HA ILE 8 HA ILE 8 10.173 -5.521 2.793 781 HB ILE 8 HB ILE 8 12.473 -7.177 1.908 782 1HG1 ILE 8 2HG1 ILE 8 12.170 -5.213 0.087 783 2HG1 ILE 8 1HG1 ILE 8 11.319 -4.491 1.448 784 1HG2 ILE 8 1HG2 ILE 8 9.991 -7.739 0.775 785 2HG2 ILE 8 2HG2 ILE 8 11.575 -8.138 0.112 786 3HG2 ILE 8 3HG2 ILE 8 10.773 -6.641 -0.362 787 1HD1 ILE 8 1HD1 ILE 8 13.535 -3.733 1.589 788 2HD1 ILE 8 2HD1 ILE 8 14.190 -5.344 1.294 789 3HD1 ILE 8 3HD1 ILE 8 13.384 -4.985 2.821 790 H LYS 9 H LYS 9 8.426 -6.415 1.703 791 HA LYS 9 HA LYS 9 7.827 -9.230 1.959 792 1HB LYS 9 2HB LYS 9 5.703 -7.459 3.060 793 2HB LYS 9 1HB LYS 9 6.071 -9.136 3.437 794 1HG LYS 9 2HG LYS 9 8.257 -7.525 4.282 795 2HG LYS 9 1HG LYS 9 6.762 -6.812 4.888 796 1HD LYS 9 2HD LYS 9 6.222 -9.315 5.515 797 2HD LYS 9 1HD LYS 9 7.980 -9.471 5.467 798 1HE LYS 9 2HE LYS 9 8.288 -8.032 7.243 799 2HE LYS 9 1HE LYS 9 6.749 -7.213 6.981 800 1HZ LYS 9 1HZ LYS 9 6.986 -10.006 7.953 801 2HZ LYS 9 2HZ LYS 9 5.582 -9.066 7.880 802 3HZ LYS 9 3HZ LYS 9 6.809 -8.666 8.973 803 H ASN 10 H ASN 10 7.762 -6.389 0.342 804 HA ASN 10 HA ASN 10 6.131 -7.440 -1.762 805 1HB ASN 10 2HB ASN 10 4.535 -6.365 -0.004 806 2HB ASN 10 1HB ASN 10 5.130 -4.838 -0.649 807 1HD2 ASN 10 1HD2 ASN 10 5.468 -6.351 -3.288 808 2HD2 ASN 10 2HD2 ASN 10 3.884 -6.313 -3.977 809 H ALA 11 H ALA 11 8.446 -7.061 -2.457 810 HA ALA 11 HA ALA 11 8.840 -4.267 -3.302 811 1HB ALA 11 1HB ALA 11 11.000 -6.347 -3.265 812 2HB ALA 11 2HB ALA 11 10.575 -5.424 -1.824 813 3HB ALA 11 3HB ALA 11 11.154 -4.590 -3.266 814 H ASP 12 H ASP 12 9.639 -3.849 -5.401 815 HA ASP 12 HA ASP 12 9.611 -5.981 -7.367 816 1HB ASP 12 2HB ASP 12 7.224 -5.020 -7.066 817 2HB ASP 12 1HB ASP 12 7.857 -3.589 -7.873 818 H MET 13 H MET 13 11.519 -4.108 -6.209 819 HA MET 13 HA MET 13 12.307 -2.657 -8.649 820 1HB MET 13 2HB MET 13 11.871 -0.937 -7.149 821 2HB MET 13 1HB MET 13 12.410 -1.872 -5.762 822 1HG MET 13 2HG MET 13 14.621 -1.385 -6.118 823 2HG MET 13 1HG MET 13 14.389 -1.081 -7.839 824 1HE MET 13 1HE MET 13 12.968 1.826 -4.554 825 2HE MET 13 2HE MET 13 13.943 0.403 -4.184 826 3HE MET 13 3HE MET 13 12.310 0.213 -4.823 827 H SER 14 H SER 14 14.754 -2.198 -8.627 828 HA SER 14 HA SER 14 16.141 -4.614 -8.738 829 1HB SER 14 2HB SER 14 16.663 -2.133 -9.639 830 2HB SER 14 1HB SER 14 17.735 -2.159 -8.239 831 HG SER 14 HG SER 14 17.989 -4.469 -9.528 832 H GLU 15 H GLU 15 17.514 -5.679 -7.366 833 HA GLU 15 HA GLU 15 17.071 -5.728 -4.676 834 1HB GLU 15 2HB GLU 15 19.547 -6.445 -6.236 835 2HB GLU 15 1HB GLU 15 19.412 -6.737 -4.508 836 1HG GLU 15 2HG GLU 15 18.655 -8.738 -5.171 837 2HG GLU 15 1HG GLU 15 17.128 -7.875 -5.354 838 H GLU 16 H GLU 16 19.992 -4.246 -6.104 839 HA GLU 16 HA GLU 16 20.940 -3.021 -3.819 840 1HB GLU 16 2HB GLU 16 21.769 -1.245 -5.633 841 2HB GLU 16 1HB GLU 16 22.479 -2.847 -5.489 842 1HG GLU 16 2HG GLU 16 21.975 -3.240 -7.601 843 2HG GLU 16 1HG GLU 16 20.263 -3.093 -7.205 844 H MET 17 H MET 17 18.316 -2.063 -5.896 845 HA MET 17 HA MET 17 18.137 0.607 -4.842 846 1HB MET 17 2HB MET 17 16.499 -1.040 -6.729 847 2HB MET 17 1HB MET 17 15.816 0.425 -6.041 848 1HG MET 17 2HG MET 17 18.228 0.157 -7.802 849 2HG MET 17 1HG MET 17 16.726 1.022 -8.127 850 1HE MET 17 1HE MET 17 16.702 2.861 -4.915 851 2HE MET 17 2HE MET 17 15.830 2.634 -6.431 852 3HE MET 17 3HE MET 17 16.761 4.107 -6.160 853 H GLN 18 H GLN 18 16.588 -2.496 -4.239 854 HA GLN 18 HA GLN 18 14.553 -1.467 -2.529 855 1HB GLN 18 2HB GLN 18 14.859 -4.071 -1.741 856 2HB GLN 18 1HB GLN 18 13.838 -3.530 -3.066 857 1HG GLN 18 2HG GLN 18 16.346 -3.771 -4.205 858 2HG GLN 18 1HG GLN 18 16.235 -5.145 -3.107 859 1HE2 GLN 18 1HE2 GLN 18 13.203 -4.138 -4.074 860 2HE2 GLN 18 2HE2 GLN 18 12.935 -5.283 -5.340 861 H GLN 19 H GLN 19 17.818 -2.658 -2.067 862 HA GLN 19 HA GLN 19 17.678 -2.672 0.796 863 1HB GLN 19 2HB GLN 19 20.049 -2.724 -1.085 864 2HB GLN 19 1HB GLN 19 20.153 -2.934 0.656 865 1HG GLN 19 2HG GLN 19 18.344 -4.720 -0.880 866 2HG GLN 19 1HG GLN 19 20.084 -4.990 -0.974 867 1HE2 GLN 19 1HE2 GLN 19 17.590 -4.327 1.465 868 2HE2 GLN 19 2HE2 GLN 19 18.185 -5.458 2.629 869 H ASP 20 H ASP 20 18.709 -0.456 -1.716 870 HA ASP 20 HA ASP 20 19.872 1.459 0.034 871 1HB ASP 20 2HB ASP 20 19.212 1.291 -2.837 872 2HB ASP 20 1HB ASP 20 19.181 2.917 -2.163 873 H SER 21 H SER 21 16.675 0.760 -1.106 874 HA SER 21 HA SER 21 15.472 3.236 -0.405 875 1HB SER 21 2HB SER 21 13.755 2.298 -1.502 876 2HB SER 21 1HB SER 21 14.636 0.772 -1.572 877 HG SER 21 HG SER 21 12.586 1.563 0.100 878 H VAL 22 H VAL 22 15.674 0.076 1.206 879 HA VAL 22 HA VAL 22 14.267 0.690 3.519 880 HB VAL 22 HB VAL 22 16.663 -1.125 3.207 881 1HG1 VAL 22 1HG1 VAL 22 15.713 -2.217 5.276 882 2HG1 VAL 22 2HG1 VAL 22 14.735 -0.763 5.484 883 3HG1 VAL 22 3HG1 VAL 22 16.496 -0.654 5.513 884 1HG2 VAL 22 1HG2 VAL 22 15.225 -2.378 2.048 885 2HG2 VAL 22 2HG2 VAL 22 13.861 -1.354 2.494 886 3HG2 VAL 22 3HG2 VAL 22 14.382 -2.648 3.573 887 H GLU 23 H GLU 23 17.713 1.135 2.777 888 HA GLU 23 HA GLU 23 18.501 2.146 5.270 889 1HB GLU 23 2HB GLU 23 19.604 2.855 2.541 890 2HB GLU 23 1HB GLU 23 20.414 3.123 4.078 891 1HG GLU 23 2HG GLU 23 20.512 0.719 4.458 892 2HG GLU 23 1HG GLU 23 19.677 0.438 2.931 893 H CYS 24 H CYS 24 17.106 3.715 2.437 894 HA CYS 24 HA CYS 24 17.360 6.377 3.366 895 1HB CYS 24 2HB CYS 24 16.837 5.625 0.987 896 2HB CYS 24 1HB CYS 24 15.184 5.360 1.533 897 HG CYS 24 HG CYS 24 15.472 8.079 2.217 898 H ALA 25 H ALA 25 14.938 3.872 3.804 899 HA ALA 25 HA ALA 25 13.003 5.535 5.077 900 1HB ALA 25 1HB ALA 25 13.069 2.910 4.167 901 2HB ALA 25 2HB ALA 25 11.739 3.682 5.030 902 3HB ALA 25 3HB ALA 25 12.947 2.753 5.919 903 H THR 26 H THR 26 15.836 3.805 5.956 904 HA THR 26 HA THR 26 15.499 3.854 8.782 905 HB THR 26 HB THR 26 18.157 3.759 7.388 906 HG1 THR 26 1HG THR 26 16.283 1.637 7.558 907 1HG2 THR 26 1HG2 THR 26 17.135 2.107 9.669 908 2HG2 THR 26 2HG2 THR 26 18.000 3.630 9.875 909 3HG2 THR 26 3HG2 THR 26 18.795 2.262 9.095 910 H GLN 27 H GLN 27 17.006 5.936 6.380 911 HA GLN 27 HA GLN 27 18.343 7.684 8.120 912 1HB GLN 27 2HB GLN 27 17.124 8.241 5.409 913 2HB GLN 27 1HB GLN 27 18.255 9.299 6.240 914 1HG GLN 27 2HG GLN 27 19.797 7.215 6.252 915 2HG GLN 27 1HG GLN 27 18.737 6.647 4.964 916 1HE2 GLN 27 1HE2 GLN 27 20.299 6.751 3.383 917 2HE2 GLN 27 2HE2 GLN 27 20.924 8.243 2.778 918 H ALA 28 H ALA 28 15.071 7.678 6.817 919 HA ALA 28 HA ALA 28 14.297 10.130 8.080 920 1HB ALA 28 1HB ALA 28 12.027 9.523 7.383 921 2HB ALA 28 2HB ALA 28 12.600 7.921 6.919 922 3HB ALA 28 3HB ALA 28 13.180 9.347 6.061 923 H LEU 29 H LEU 29 14.378 6.781 8.986 924 HA LEU 29 HA LEU 29 12.546 6.952 11.166 925 1HB LEU 29 2HB LEU 29 14.613 4.956 10.324 926 2HB LEU 29 1HB LEU 29 13.783 4.798 11.860 927 HG LEU 29 HG LEU 29 12.024 5.193 9.531 928 1HD1 LEU 29 1HD1 LEU 29 12.321 3.124 8.534 929 2HD1 LEU 29 2HD1 LEU 29 13.270 2.500 9.883 930 3HD1 LEU 29 3HD1 LEU 29 13.970 3.693 8.789 931 1HD2 LEU 29 1HD2 LEU 29 12.074 3.698 12.093 932 2HD2 LEU 29 2HD2 LEU 29 11.086 3.050 10.783 933 3HD2 LEU 29 3HD2 LEU 29 10.799 4.686 11.378 934 H GLU 30 H GLU 30 16.085 6.888 10.929 935 HA GLU 30 HA GLU 30 16.532 7.243 13.711 936 1HB GLU 30 2HB GLU 30 18.101 6.803 11.354 937 2HB GLU 30 1HB GLU 30 18.789 8.150 12.251 938 1HG GLU 30 2HG GLU 30 18.530 6.540 14.291 939 2HG GLU 30 1HG GLU 30 18.494 5.295 13.042 940 H LYS 31 H LYS 31 15.971 9.407 11.053 941 HA LYS 31 HA LYS 31 16.923 11.729 12.509 942 1HB LYS 31 2HB LYS 31 15.926 11.193 9.761 943 2HB LYS 31 1HB LYS 31 15.703 12.819 10.391 944 1HG LYS 31 2HG LYS 31 17.881 13.316 10.234 945 2HG LYS 31 1HG LYS 31 18.390 11.720 10.789 946 1HD LYS 31 2HD LYS 31 18.606 10.931 8.695 947 2HD LYS 31 1HD LYS 31 17.137 11.737 8.138 948 1HE LYS 31 2HE LYS 31 18.837 12.780 6.930 949 2HE LYS 31 1HE LYS 31 18.515 13.897 8.256 950 1HZ LYS 31 1HZ LYS 31 20.905 13.498 7.825 951 2HZ LYS 31 2HZ LYS 31 20.694 11.882 8.280 952 3HZ LYS 31 3HZ LYS 31 20.436 13.117 9.405 953 H TYR 32 H TYR 32 13.909 10.125 11.791 954 HA TYR 32 HA TYR 32 12.554 11.837 13.706 955 1HB TYR 32 2HB TYR 32 10.887 11.447 11.336 956 2HB TYR 32 1HB TYR 32 11.147 12.894 12.303 957 HD1 TYR 32 1HD TYR 32 12.323 10.951 9.419 958 HD2 TYR 32 2HD TYR 32 12.822 14.518 11.684 959 HE1 TYR 32 1HE TYR 32 13.680 11.906 7.605 960 HE2 TYR 32 2HE TYR 32 14.179 15.483 9.875 961 HH TYR 32 HH TYR 32 14.675 13.751 6.826 962 H ASN 33 H ASN 33 10.356 11.012 14.227 963 HA ASN 33 HA ASN 33 10.141 8.114 13.757 964 1HB ASN 33 2HB ASN 33 10.432 9.541 16.273 965 2HB ASN 33 1HB ASN 33 8.956 8.580 16.242 966 1HD2 ASN 33 1HD2 ASN 33 11.825 7.742 14.447 967 2HD2 ASN 33 2HD2 ASN 33 12.236 6.346 15.376 968 H ILE 34 H ILE 34 8.860 10.415 12.462 969 HA ILE 34 HA ILE 34 6.052 9.972 13.230 970 HB ILE 34 HB ILE 34 6.989 12.167 11.408 971 1HG1 ILE 34 2HG1 ILE 34 8.298 12.400 13.446 972 2HG1 ILE 34 1HG1 ILE 34 7.069 13.660 13.371 973 1HG2 ILE 34 1HG2 ILE 34 4.564 11.738 13.133 974 2HG2 ILE 34 2HG2 ILE 34 4.640 11.831 11.373 975 3HG2 ILE 34 3HG2 ILE 34 4.941 13.271 12.347 976 1HD1 ILE 34 1HD1 ILE 34 6.213 11.249 14.771 977 2HD1 ILE 34 2HD1 ILE 34 6.068 12.947 15.226 978 3HD1 ILE 34 3HD1 ILE 34 7.576 12.080 15.520 979 H GLU 35 H GLU 35 5.257 8.331 12.046 980 HA GLU 35 HA GLU 35 5.997 7.103 9.835 981 1HB GLU 35 2HB GLU 35 3.147 8.048 10.178 982 2HB GLU 35 1HB GLU 35 3.681 6.648 9.259 983 1HG GLU 35 2HG GLU 35 3.626 7.033 12.227 984 2HG GLU 35 1HG GLU 35 2.856 5.778 11.258 985 H LYS 36 H LYS 36 3.646 9.752 9.378 986 HA LYS 36 HA LYS 36 3.949 10.090 6.682 987 1HB LYS 36 2HB LYS 36 3.745 12.623 8.182 988 2HB LYS 36 1HB LYS 36 2.706 11.971 6.922 989 1HG LYS 36 2HG LYS 36 1.284 11.064 8.393 990 2HG LYS 36 1HG LYS 36 2.577 10.523 9.464 991 1HD LYS 36 2HD LYS 36 2.673 12.555 10.583 992 2HD LYS 36 1HD LYS 36 1.905 13.432 9.258 993 1HE LYS 36 2HE LYS 36 0.115 13.329 10.639 994 2HE LYS 36 1HE LYS 36 -0.084 11.754 9.871 995 1HZ LYS 36 1HZ LYS 36 1.594 11.205 11.907 996 2HZ LYS 36 2HZ LYS 36 -0.083 10.994 11.957 997 3HZ LYS 36 3HZ LYS 36 0.611 12.399 12.593 998 H ASP 37 H ASP 37 5.848 11.671 9.241 999 HA ASP 37 HA ASP 37 7.480 13.250 7.645 1000 1HB ASP 37 2HB ASP 37 7.375 13.322 10.143 1001 2HB ASP 37 1HB ASP 37 8.322 11.838 10.185 1002 H ILE 38 H ILE 38 8.326 10.052 8.995 1003 HA ILE 38 HA ILE 38 10.696 9.626 7.683 1004 HB ILE 38 HB ILE 38 8.706 7.390 7.962 1005 1HG1 ILE 38 2HG1 ILE 38 10.423 8.268 10.261 1006 2HG1 ILE 38 1HG1 ILE 38 8.856 9.028 10.000 1007 1HG2 ILE 38 1HG2 ILE 38 11.337 7.458 7.187 1008 2HG2 ILE 38 2HG2 ILE 38 10.478 6.041 7.791 1009 3HG2 ILE 38 3HG2 ILE 38 11.444 7.023 8.892 1010 1HD1 ILE 38 1HD1 ILE 38 8.832 6.097 9.951 1011 2HD1 ILE 38 2HD1 ILE 38 7.729 7.233 10.726 1012 3HD1 ILE 38 3HD1 ILE 38 9.260 6.823 11.501 1013 H ALA 39 H ALA 39 7.434 8.821 6.520 1014 HA ALA 39 HA ALA 39 8.147 7.715 4.065 1015 1HB ALA 39 1HB ALA 39 5.929 7.686 3.611 1016 2HB ALA 39 2HB ALA 39 5.692 9.359 4.119 1017 3HB ALA 39 3HB ALA 39 5.809 8.079 5.327 1018 H ALA 40 H ALA 40 7.781 11.062 5.059 1019 HA ALA 40 HA ALA 40 7.975 12.172 2.436 1020 1HB ALA 40 1HB ALA 40 7.447 14.070 3.479 1021 2HB ALA 40 2HB ALA 40 8.865 13.963 4.522 1022 3HB ALA 40 3HB ALA 40 7.373 13.142 4.976 1023 H HIS 41 H HIS 41 10.249 12.309 5.176 1024 HA HIS 41 HA HIS 41 12.476 13.303 4.048 1025 1HB HIS 41 2HB HIS 41 12.716 12.708 6.289 1026 2HB HIS 41 1HB HIS 41 12.089 11.086 6.031 1027 HD1 HIS 41 1HD HIS 41 15.052 12.530 7.032 1028 HD2 HIS 41 2HD HIS 41 14.172 9.741 4.083 1029 HE1 HIS 41 1HE HIS 41 17.208 11.318 6.589 1030 HE2 HIS 41 2HE HIS 41 16.676 9.710 4.726 1031 H ILE 42 H ILE 42 11.654 9.842 3.967 1032 HA ILE 42 HA ILE 42 13.715 9.000 2.304 1033 HB ILE 42 HB ILE 42 10.924 7.852 2.450 1034 1HG1 ILE 42 2HG1 ILE 42 13.167 6.612 3.932 1035 2HG1 ILE 42 1HG1 ILE 42 12.602 8.160 4.555 1036 1HG2 ILE 42 1HG2 ILE 42 11.591 6.232 1.086 1037 2HG2 ILE 42 2HG2 ILE 42 13.058 5.962 2.026 1038 3HG2 ILE 42 3HG2 ILE 42 13.036 7.189 0.758 1039 1HD1 ILE 42 1HD1 ILE 42 10.395 7.301 4.859 1040 2HD1 ILE 42 2HD1 ILE 42 11.537 6.180 5.601 1041 3HD1 ILE 42 3HD1 ILE 42 10.815 5.797 4.039 1042 H LYS 43 H LYS 43 10.321 9.351 1.245 1043 HA LYS 43 HA LYS 43 10.588 9.132 -1.422 1044 1HB LYS 43 2HB LYS 43 8.429 9.549 -0.427 1045 2HB LYS 43 1HB LYS 43 8.914 11.171 0.049 1046 1HG LYS 43 2HG LYS 43 8.854 10.331 -2.828 1047 2HG LYS 43 1HG LYS 43 7.414 10.927 -2.000 1048 1HD LYS 43 2HD LYS 43 9.629 12.669 -1.469 1049 2HD LYS 43 1HD LYS 43 9.463 12.433 -3.209 1050 1HE LYS 43 2HE LYS 43 6.862 12.778 -2.317 1051 2HE LYS 43 1HE LYS 43 7.796 13.931 -1.365 1052 1HZ LYS 43 1HZ LYS 43 6.870 14.468 -3.786 1053 2HZ LYS 43 2HZ LYS 43 8.379 13.838 -4.214 1054 3HZ LYS 43 3HZ LYS 43 8.285 15.165 -3.171 1055 H LYS 44 H LYS 44 11.186 12.129 0.389 1056 HA LYS 44 HA LYS 44 11.863 13.725 -1.813 1057 1HB LYS 44 2HB LYS 44 11.758 14.012 0.998 1058 2HB LYS 44 1HB LYS 44 13.362 14.526 0.491 1059 1HG LYS 44 2HG LYS 44 11.961 15.842 -1.330 1060 2HG LYS 44 1HG LYS 44 10.712 15.719 -0.089 1061 1HD LYS 44 2HD LYS 44 11.645 17.545 0.805 1062 2HD LYS 44 1HD LYS 44 12.933 16.470 1.348 1063 1HE LYS 44 2HE LYS 44 13.984 18.284 0.243 1064 2HE LYS 44 1HE LYS 44 14.074 16.903 -0.850 1065 1HZ LYS 44 1HZ LYS 44 12.730 17.887 -2.340 1066 2HZ LYS 44 2HZ LYS 44 13.226 19.316 -1.583 1067 3HZ LYS 44 3HZ LYS 44 11.748 18.608 -1.166 1068 H GLU 45 H GLU 45 14.000 12.022 0.470 1069 HA GLU 45 HA GLU 45 16.399 12.713 -0.802 1070 1HB GLU 45 2HB GLU 45 16.557 11.882 1.403 1071 2HB GLU 45 1HB GLU 45 15.641 10.433 1.010 1072 1HG GLU 45 2HG GLU 45 17.582 9.391 0.807 1073 2HG GLU 45 1HG GLU 45 17.834 10.315 -0.672 1074 H PHE 46 H PHE 46 14.135 10.106 -1.408 1075 HA PHE 46 HA PHE 46 15.800 8.584 -3.115 1076 1HB PHE 46 2HB PHE 46 13.077 8.494 -2.187 1077 2HB PHE 46 1HB PHE 46 13.122 8.213 -3.924 1078 HD1 PHE 46 1HD PHE 46 14.253 6.989 -0.654 1079 HD2 PHE 46 2HD PHE 46 14.065 6.224 -4.835 1080 HE1 PHE 46 1HE PHE 46 14.940 4.661 -0.255 1081 HE2 PHE 46 2HE PHE 46 14.750 3.894 -4.445 1082 HZ PHE 46 HZ PHE 46 15.191 3.109 -2.151 1083 H ASP 47 H ASP 47 13.281 11.003 -3.772 1084 HA ASP 47 HA ASP 47 13.404 10.962 -6.547 1085 1HB ASP 47 2HB ASP 47 11.920 12.652 -6.410 1086 2HB ASP 47 1HB ASP 47 12.005 12.405 -4.670 1087 H LYS 48 H LYS 48 15.419 12.656 -4.204 1088 HA LYS 48 HA LYS 48 16.939 13.935 -6.331 1089 1HB LYS 48 2HB LYS 48 16.813 14.200 -3.363 1090 2HB LYS 48 1HB LYS 48 18.291 14.690 -4.180 1091 1HG LYS 48 2HG LYS 48 15.749 15.707 -5.298 1092 2HG LYS 48 1HG LYS 48 16.259 16.351 -3.736 1093 1HD LYS 48 2HD LYS 48 17.078 17.716 -5.608 1094 2HD LYS 48 1HD LYS 48 18.400 17.005 -4.680 1095 1HE LYS 48 2HE LYS 48 18.689 15.278 -6.349 1096 2HE LYS 48 1HE LYS 48 17.297 15.878 -7.250 1097 1HZ LYS 48 1HZ LYS 48 18.462 17.897 -7.725 1098 2HZ LYS 48 2HZ LYS 48 19.453 16.601 -8.169 1099 3HZ LYS 48 3HZ LYS 48 19.762 17.451 -6.739 1100 H LYS 49 H LYS 49 17.095 11.121 -4.370 1101 HA LYS 49 HA LYS 49 19.965 10.799 -4.696 1102 1HB LYS 49 2HB LYS 49 18.783 10.102 -2.606 1103 2HB LYS 49 1HB LYS 49 17.967 8.853 -3.537 1104 1HG LYS 49 2HG LYS 49 19.674 7.485 -3.245 1105 2HG LYS 49 1HG LYS 49 20.766 8.646 -4.002 1106 1HD LYS 49 2HD LYS 49 21.581 9.352 -2.026 1107 2HD LYS 49 1HD LYS 49 19.999 9.301 -1.245 1108 1HE LYS 49 2HE LYS 49 20.189 6.852 -1.077 1109 2HE LYS 49 1HE LYS 49 21.793 6.941 -1.802 1110 1HZ LYS 49 1HZ LYS 49 21.092 7.233 0.890 1111 2HZ LYS 49 2HZ LYS 49 21.705 8.717 0.358 1112 3HZ LYS 49 3HZ LYS 49 22.633 7.314 0.195 1113 H TYR 50 H TYR 50 17.166 10.088 -6.448 1114 HA TYR 50 HA TYR 50 18.709 8.366 -8.237 1115 1HB TYR 50 2HB TYR 50 15.890 7.653 -7.430 1116 2HB TYR 50 1HB TYR 50 17.009 6.695 -8.394 1117 HD1 TYR 50 1HD TYR 50 18.901 5.543 -7.316 1118 HD2 TYR 50 2HD TYR 50 16.001 7.657 -5.033 1119 HE1 TYR 50 1HE TYR 50 19.668 4.388 -5.285 1120 HE2 TYR 50 2HE TYR 50 16.759 6.508 -2.995 1121 HH TYR 50 HH TYR 50 19.641 4.800 -2.812 1122 H ASN 51 H ASN 51 15.327 9.466 -7.958 1123 HA ASN 51 HA ASN 51 15.186 11.514 -9.685 1124 1HB ASN 51 2HB ASN 51 16.346 10.172 -11.387 1125 2HB ASN 51 1HB ASN 51 15.087 8.944 -11.287 1126 1HD2 ASN 51 1HD2 ASN 51 16.138 11.038 -13.330 1127 2HD2 ASN 51 2HD2 ASN 51 14.678 11.678 -13.996 1128 HA PRO 52 HA PRO 52 11.132 10.735 -7.957 1129 1HB PRO 52 2HB PRO 52 9.958 12.860 -9.326 1130 2HB PRO 52 1HB PRO 52 10.703 12.944 -7.727 1131 1HG PRO 52 2HG PRO 52 11.843 13.662 -10.392 1132 2HG PRO 52 1HG PRO 52 12.055 14.465 -8.825 1133 1HD PRO 52 2HD PRO 52 13.975 12.915 -9.844 1134 2HD PRO 52 1HD PRO 52 13.626 12.908 -8.101 1135 H THR 53 H THR 53 8.731 9.744 -10.439 1136 HA THR 53 HA THR 53 9.256 11.114 -7.898 1137 HB THR 53 HB THR 53 7.441 12.027 -9.386 1138 HG1 THR 53 1HG THR 53 7.480 11.726 -6.813 1139 1HG2 THR 53 1HG2 THR 53 5.237 10.638 -8.882 1140 2HG2 THR 53 2HG2 THR 53 6.386 9.304 -8.979 1141 3HG2 THR 53 3HG2 THR 53 6.201 10.410 -10.341 1142 H TRP 54 H TRP 54 9.415 9.913 -6.151 1143 HA TRP 54 HA TRP 54 8.623 7.116 -6.272 1144 1HB TRP 54 2HB TRP 54 10.150 8.609 -4.132 1145 2HB TRP 54 1HB TRP 54 9.924 6.866 -4.215 1146 HD1 TRP 54 HD TRP 54 11.626 9.695 -6.235 1147 HE1 TRP 54 1HE TRP 54 13.653 8.687 -7.452 1148 HE3 TRP 54 3HE TRP 54 10.993 4.796 -4.941 1149 HZ2 TRP 54 2HZ TRP 54 14.841 6.146 -7.809 1150 HZ3 TRP 54 3HZ TRP 54 12.612 3.142 -5.765 1151 HH2 TRP 54 HH TRP 54 14.496 3.797 -7.163 1152 H HIS 55 H HIS 55 6.770 6.427 -5.487 1153 HA HIS 55 HA HIS 55 5.327 8.082 -3.536 1154 1HB HIS 55 2HB HIS 55 4.145 5.661 -4.863 1155 2HB HIS 55 1HB HIS 55 3.333 7.102 -4.266 1156 HD1 HIS 55 1HD HIS 55 2.138 7.119 -6.641 1157 HD2 HIS 55 2HD HIS 55 6.226 7.865 -6.682 1158 HE1 HIS 55 1HE HIS 55 2.618 8.106 -8.904 1159 HE2 HIS 55 2HE HIS 55 5.099 8.547 -8.908 1160 H CYS 56 H CYS 56 5.969 7.533 -1.530 1161 HA CYS 56 HA CYS 56 6.003 4.666 -0.878 1162 1HB CYS 56 2HB CYS 56 8.149 4.746 -0.299 1163 2HB CYS 56 1HB CYS 56 8.222 6.394 -0.915 1164 HG CYS 56 HG CYS 56 7.663 5.735 2.077 1165 H ILE 57 H ILE 57 5.902 4.230 1.437 1166 HA ILE 57 HA ILE 57 4.600 6.269 3.059 1167 HB ILE 57 HB ILE 57 3.300 3.628 2.415 1168 1HG1 ILE 57 2HG1 ILE 57 2.561 6.508 1.865 1169 2HG1 ILE 57 1HG1 ILE 57 2.966 5.273 0.678 1170 1HG2 ILE 57 1HG2 ILE 57 3.174 5.167 4.792 1171 2HG2 ILE 57 2HG2 ILE 57 2.222 3.747 4.357 1172 3HG2 ILE 57 3HG2 ILE 57 1.638 5.361 3.948 1173 1HD1 ILE 57 1HD1 ILE 57 0.931 4.026 1.610 1174 2HD1 ILE 57 2HD1 ILE 57 0.674 5.415 0.553 1175 3HD1 ILE 57 3HD1 ILE 57 0.489 5.588 2.299 1176 H VAL 58 H VAL 58 4.283 5.469 5.347 1177 HA VAL 58 HA VAL 58 5.895 3.195 6.120 1178 HB VAL 58 HB VAL 58 7.702 4.684 5.999 1179 1HG1 VAL 58 1HG1 VAL 58 6.043 6.744 7.441 1180 2HG1 VAL 58 2HG1 VAL 58 6.376 6.729 5.709 1181 3HG1 VAL 58 3HG1 VAL 58 7.695 6.946 6.859 1182 1HG2 VAL 58 1HG2 VAL 58 8.329 3.882 7.983 1183 2HG2 VAL 58 2HG2 VAL 58 6.689 3.978 8.624 1184 3HG2 VAL 58 3HG2 VAL 58 7.739 5.394 8.674 1185 H GLY 59 H GLY 59 4.884 2.215 7.717 1186 1HA GLY 59 2HA GLY 59 3.667 3.776 9.861 1187 2HA GLY 59 1HA GLY 59 2.595 2.730 8.940 1188 H ARG 60 H ARG 60 2.436 1.975 11.331 1189 HA ARG 60 HA ARG 60 4.078 -0.423 11.517 1190 1HB ARG 60 2HB ARG 60 4.308 0.084 14.037 1191 2HB ARG 60 1HB ARG 60 5.390 0.891 12.910 1192 1HG ARG 60 2HG ARG 60 3.994 2.892 12.995 1193 2HG ARG 60 1HG ARG 60 2.905 2.083 14.122 1194 1HD ARG 60 2HD ARG 60 5.767 2.122 14.859 1195 2HD ARG 60 1HD ARG 60 4.932 3.674 14.892 1196 HE ARG 60 HE ARG 60 3.822 1.368 16.334 1197 1HH1 ARG 60 1HH1 ARG 60 5.141 4.591 16.321 1198 2HH1 ARG 60 2HH1 ARG 60 4.708 4.914 17.966 1199 1HH2 ARG 60 1HH2 ARG 60 3.255 1.781 18.506 1200 2HH2 ARG 60 2HH2 ARG 60 3.638 3.317 19.209 1201 H ASN 61 H ASN 61 1.336 -0.036 10.828 1202 HA ASN 61 HA ASN 61 0.091 -2.058 12.158 1203 1HB ASN 61 2HB ASN 61 0.381 -0.155 14.039 1204 2HB ASN 61 1HB ASN 61 -1.167 0.345 13.364 1205 1HD2 ASN 61 1HD2 ASN 61 -1.693 -2.519 12.635 1206 2HD2 ASN 61 2HD2 ASN 61 -2.216 -3.250 14.110 1207 H PHE 62 H PHE 62 0.259 -0.504 9.649 1208 HA PHE 62 HA PHE 62 -2.610 -0.038 9.182 1209 1HB PHE 62 2HB PHE 62 -2.021 1.461 7.430 1210 2HB PHE 62 1HB PHE 62 -0.988 1.872 8.796 1211 HD1 PHE 62 1HD PHE 62 0.982 -0.412 8.495 1212 HD2 PHE 62 2HD PHE 62 -0.705 2.291 5.677 1213 HE1 PHE 62 1HE PHE 62 2.961 -0.679 7.060 1214 HE2 PHE 62 2HE PHE 62 1.269 2.030 4.236 1215 HZ PHE 62 HZ PHE 62 3.109 0.543 4.927 1216 H GLY 63 H GLY 63 -2.631 -0.160 6.436 1217 1HA GLY 63 2HA GLY 63 -1.580 -2.795 5.695 1218 2HA GLY 63 1HA GLY 63 -3.322 -2.558 5.637 1219 H SER 64 H SER 64 -0.257 -1.332 4.379 1220 HA SER 64 HA SER 64 -1.445 0.255 2.349 1221 1HB SER 64 2HB SER 64 0.734 0.719 1.618 1222 2HB SER 64 1HB SER 64 0.928 0.435 3.347 1223 HG SER 64 HG SER 64 1.261 -1.612 1.422 1224 H TYR 65 H TYR 65 -2.083 -0.219 0.361 1225 HA TYR 65 HA TYR 65 -1.241 -2.699 -0.919 1226 1HB TYR 65 2HB TYR 65 -3.356 -3.189 0.341 1227 2HB TYR 65 1HB TYR 65 -4.167 -1.980 -0.648 1228 HD1 TYR 65 1HD TYR 65 -2.547 -5.288 -0.678 1229 HD2 TYR 65 2HD TYR 65 -4.806 -2.455 -2.908 1230 HE1 TYR 65 1HE TYR 65 -3.004 -7.002 -2.380 1231 HE2 TYR 65 2HE TYR 65 -5.270 -4.163 -4.616 1232 HH TYR 65 HH TYR 65 -4.107 -6.338 -5.410 1233 H VAL 66 H VAL 66 -0.088 -1.028 -2.137 1234 HA VAL 66 HA VAL 66 -1.814 0.403 -4.044 1235 HB VAL 66 HB VAL 66 0.128 1.853 -4.493 1236 1HG1 VAL 66 1HG1 VAL 66 -0.426 1.758 -1.536 1237 2HG1 VAL 66 2HG1 VAL 66 -1.592 2.349 -2.719 1238 3HG1 VAL 66 3HG1 VAL 66 -0.041 3.167 -2.525 1239 1HG2 VAL 66 1HG2 VAL 66 1.912 1.636 -2.532 1240 2HG2 VAL 66 2HG2 VAL 66 2.082 0.767 -4.058 1241 3HG2 VAL 66 3HG2 VAL 66 1.436 -0.059 -2.639 1242 H THR 67 H THR 67 -0.803 0.700 -6.242 1243 HA THR 67 HA THR 67 0.436 -1.833 -7.093 1244 HB THR 67 HB THR 67 -1.274 0.040 -8.737 1245 HG1 THR 67 1HG THR 67 -1.944 -1.903 -6.966 1246 1HG2 THR 67 1HG2 THR 67 -0.357 -1.099 -10.425 1247 2HG2 THR 67 2HG2 THR 67 -1.460 -2.379 -9.919 1248 3HG2 THR 67 3HG2 THR 67 0.218 -2.395 -9.378 1249 H HIS 68 H HIS 68 2.298 -1.790 -8.228 1250 HA HIS 68 HA HIS 68 3.641 0.768 -8.492 1251 1HB HIS 68 2HB HIS 68 5.642 -0.508 -8.911 1252 2HB HIS 68 1HB HIS 68 4.798 -1.234 -7.548 1253 HD1 HIS 68 1HD HIS 68 2.885 -2.368 -10.236 1254 HD2 HIS 68 2HD HIS 68 6.691 -3.314 -8.863 1255 HE1 HIS 68 1HE HIS 68 3.403 -4.634 -11.197 1256 HE2 HIS 68 2HE HIS 68 5.743 -5.150 -10.419 1257 H GLU 69 H GLU 69 5.135 0.861 -10.557 1258 HA GLU 69 HA GLU 69 3.984 -0.158 -12.974 1259 1HB GLU 69 2HB GLU 69 3.738 2.388 -13.755 1260 2HB GLU 69 1HB GLU 69 2.402 1.476 -13.067 1261 1HG GLU 69 2HG GLU 69 3.466 2.466 -10.818 1262 2HG GLU 69 1HG GLU 69 3.933 3.733 -11.951 1263 H THR 70 H THR 70 6.432 -0.646 -12.280 1264 HA THR 70 HA THR 70 8.064 0.204 -14.305 1265 HB THR 70 HB THR 70 8.023 2.455 -13.549 1266 HG1 THR 70 1HG THR 70 10.329 2.302 -12.367 1267 1HG2 THR 70 1HG2 THR 70 7.185 2.254 -11.323 1268 2HG2 THR 70 2HG2 THR 70 8.727 3.107 -11.267 1269 3HG2 THR 70 3HG2 THR 70 8.641 1.409 -10.800 1270 H LYS 71 H LYS 71 9.789 0.710 -11.431 1271 HA LYS 71 HA LYS 71 10.201 -2.027 -10.704 1272 1HB LYS 71 2HB LYS 71 12.803 -1.545 -11.310 1273 2HB LYS 71 1HB LYS 71 11.707 -2.461 -12.333 1274 1HG LYS 71 2HG LYS 71 12.251 -1.036 -13.947 1275 2HG LYS 71 1HG LYS 71 11.248 0.142 -13.098 1276 1HD LYS 71 2HD LYS 71 13.209 0.905 -11.846 1277 2HD LYS 71 1HD LYS 71 14.211 -0.271 -12.698 1278 1HE LYS 71 2HE LYS 71 13.058 2.289 -13.643 1279 2HE LYS 71 1HE LYS 71 14.618 1.549 -13.999 1280 1HZ LYS 71 1HZ LYS 71 13.296 1.512 -15.963 1281 2HZ LYS 71 2HZ LYS 71 11.988 0.808 -15.155 1282 3HZ LYS 71 3HZ LYS 71 13.408 -0.078 -15.396 1283 H HIS 72 H HIS 72 9.569 0.576 -9.515 1284 HA HIS 72 HA HIS 72 11.741 0.661 -7.534 1285 1HB HIS 72 2HB HIS 72 10.135 3.100 -8.238 1286 2HB HIS 72 1HB HIS 72 11.693 3.002 -7.423 1287 HD1 HIS 72 1HD HIS 72 10.363 4.017 -10.509 1288 HD2 HIS 72 2HD HIS 72 13.682 1.764 -9.425 1289 HE1 HIS 72 1HE HIS 72 11.911 4.106 -12.488 1290 HE2 HIS 72 2HE HIS 72 13.871 2.658 -11.844 1291 H PHE 73 H PHE 73 9.498 -0.962 -7.288 1292 HA PHE 73 HA PHE 73 7.950 0.426 -5.197 1293 1HB PHE 73 2HB PHE 73 6.384 -0.132 -6.869 1294 2HB PHE 73 1HB PHE 73 7.137 -1.693 -7.175 1295 HD1 PHE 73 1HD PHE 73 5.763 0.060 -4.178 1296 HD2 PHE 73 2HD PHE 73 5.825 -3.461 -6.566 1297 HE1 PHE 73 1HE PHE 73 4.170 -1.007 -2.637 1298 HE2 PHE 73 2HE PHE 73 4.231 -4.535 -5.031 1299 HZ PHE 73 HZ PHE 73 3.402 -3.308 -3.063 1300 H ILE 74 H ILE 74 9.563 -0.133 -3.647 1301 HA ILE 74 HA ILE 74 9.718 -3.004 -3.019 1302 HB ILE 74 HB ILE 74 11.871 -1.927 -3.487 1303 1HG1 ILE 74 2HG1 ILE 74 11.134 -3.377 -1.087 1304 2HG1 ILE 74 1HG1 ILE 74 12.532 -3.589 -2.126 1305 1HG2 ILE 74 1HG2 ILE 74 12.762 -0.225 -1.977 1306 2HG2 ILE 74 2HG2 ILE 74 11.236 -0.208 -1.091 1307 3HG2 ILE 74 3HG2 ILE 74 11.286 0.329 -2.770 1308 1HD1 ILE 74 1HD1 ILE 74 12.387 -1.519 0.048 1309 2HD1 ILE 74 2HD1 ILE 74 13.808 -2.042 -0.856 1310 3HD1 ILE 74 3HD1 ILE 74 13.029 -3.144 0.281 1311 H TYR 75 H TYR 75 8.282 -3.541 -1.509 1312 HA TYR 75 HA TYR 75 7.702 -1.665 0.666 1313 1HB TYR 75 2HB TYR 75 5.776 -2.610 -0.562 1314 2HB TYR 75 1HB TYR 75 6.287 -4.230 -0.098 1315 HD1 TYR 75 1HD TYR 75 4.538 -4.990 1.255 1316 HD2 TYR 75 2HD TYR 75 6.212 -1.146 1.979 1317 HE1 TYR 75 1HE TYR 75 3.225 -4.815 3.326 1318 HE2 TYR 75 2HE TYR 75 4.904 -0.960 4.053 1319 HH TYR 75 HH TYR 75 2.415 -2.344 4.786 1320 H PHE 76 H PHE 76 8.536 -1.964 2.622 1321 HA PHE 76 HA PHE 76 9.310 -4.645 3.490 1322 1HB PHE 76 2HB PHE 76 11.474 -3.617 4.394 1323 2HB PHE 76 1HB PHE 76 11.391 -3.906 2.661 1324 HD1 PHE 76 1HD PHE 76 10.544 -1.879 1.236 1325 HD2 PHE 76 2HD PHE 76 12.186 -1.558 5.148 1326 HE1 PHE 76 1HE PHE 76 11.092 0.481 0.807 1327 HE2 PHE 76 2HE PHE 76 12.737 0.802 4.727 1328 HZ PHE 76 HZ PHE 76 12.190 1.825 2.554 1329 H TYR 77 H TYR 77 10.029 -4.576 5.851 1330 HA TYR 77 HA TYR 77 8.596 -2.486 7.336 1331 1HB TYR 77 2HB TYR 77 7.127 -4.443 7.242 1332 2HB TYR 77 1HB TYR 77 8.419 -5.458 7.876 1333 HD1 TYR 77 1HD TYR 77 5.832 -3.037 8.682 1334 HD2 TYR 77 2HD TYR 77 9.134 -5.228 10.229 1335 HE1 TYR 77 1HE TYR 77 5.077 -2.546 10.970 1336 HE2 TYR 77 2HE TYR 77 8.387 -4.745 12.521 1337 HH TYR 77 HH TYR 77 6.092 -4.166 13.628 1338 H LEU 78 H LEU 78 9.986 -1.501 8.620 1339 HA LEU 78 HA LEU 78 12.550 -2.546 9.242 1340 1HB LEU 78 2HB LEU 78 10.988 -0.155 10.174 1341 2HB LEU 78 1HB LEU 78 12.544 -0.545 10.874 1342 HG LEU 78 HG LEU 78 12.340 1.188 8.914 1343 1HD1 LEU 78 1HD1 LEU 78 14.616 -0.129 8.090 1344 2HD1 LEU 78 2HD1 LEU 78 14.400 -0.666 9.757 1345 3HD1 LEU 78 3HD1 LEU 78 14.501 1.057 9.391 1346 1HD2 LEU 78 1HD2 LEU 78 11.603 0.339 6.991 1347 2HD2 LEU 78 2HD2 LEU 78 11.730 -1.315 7.587 1348 3HD2 LEU 78 3HD2 LEU 78 13.139 -0.521 6.884 1349 H GLY 79 H GLY 79 13.360 -2.629 11.551 1350 1HA GLY 79 2HA GLY 79 12.600 -4.711 12.978 1351 2HA GLY 79 1HA GLY 79 13.102 -3.242 13.800 1352 H GLN 80 H GLN 80 10.968 -1.572 13.359 1353 HA GLN 80 HA GLN 80 8.586 -2.997 14.274 1354 1HB GLN 80 2HB GLN 80 10.271 -1.814 16.103 1355 2HB GLN 80 1HB GLN 80 9.082 -0.552 15.810 1356 1HG GLN 80 2HG GLN 80 7.306 -2.271 16.271 1357 2HG GLN 80 1HG GLN 80 8.597 -3.341 16.815 1358 1HE2 GLN 80 1HE2 GLN 80 6.339 -2.172 18.278 1359 2HE2 GLN 80 2HE2 GLN 80 7.032 -1.310 19.604 1360 H VAL 81 H VAL 81 9.404 -1.527 11.851 1361 HA VAL 81 HA VAL 81 7.097 0.254 11.721 1362 HB VAL 81 HB VAL 81 9.819 1.139 10.759 1363 1HG1 VAL 81 1HG1 VAL 81 8.409 3.371 10.760 1364 2HG1 VAL 81 2HG1 VAL 81 7.067 2.244 10.557 1365 3HG1 VAL 81 3HG1 VAL 81 8.385 2.268 9.386 1366 1HG2 VAL 81 1HG2 VAL 81 10.175 2.271 12.676 1367 2HG2 VAL 81 2HG2 VAL 81 9.089 1.060 13.359 1368 3HG2 VAL 81 3HG2 VAL 81 8.465 2.644 12.897 1369 H ALA 82 H ALA 82 6.788 1.011 9.368 1370 HA ALA 82 HA ALA 82 7.677 -1.073 7.494 1371 1HB ALA 82 1HB ALA 82 5.621 -1.830 7.133 1372 2HB ALA 82 2HB ALA 82 5.009 -0.199 6.862 1373 3HB ALA 82 3HB ALA 82 5.079 -0.852 8.498 1374 H ILE 83 H ILE 83 7.955 -0.419 5.365 1375 HA ILE 83 HA ILE 83 7.413 2.376 4.693 1376 HB ILE 83 HB ILE 83 10.052 1.465 3.784 1377 1HG1 ILE 83 2HG1 ILE 83 9.891 0.599 6.166 1378 2HG1 ILE 83 1HG1 ILE 83 11.221 1.703 5.838 1379 1HG2 ILE 83 1HG2 ILE 83 10.499 3.866 4.780 1380 2HG2 ILE 83 2HG2 ILE 83 8.740 3.968 4.695 1381 3HG2 ILE 83 3HG2 ILE 83 9.676 3.644 3.236 1382 1HD1 ILE 83 1HD1 ILE 83 8.775 2.994 6.795 1383 2HD1 ILE 83 2HD1 ILE 83 10.456 3.234 7.273 1384 3HD1 ILE 83 3HD1 ILE 83 9.531 1.888 7.942 1385 H LEU 84 H LEU 84 6.111 2.094 2.978 1386 HA LEU 84 HA LEU 84 6.794 0.050 0.998 1387 1HB LEU 84 2HB LEU 84 4.599 -0.202 0.665 1388 2HB LEU 84 1HB LEU 84 4.385 0.764 2.110 1389 HG LEU 84 HG LEU 84 4.490 2.759 0.354 1390 1HD1 LEU 84 1HD1 LEU 84 3.656 2.258 -1.769 1391 2HD1 LEU 84 2HD1 LEU 84 3.181 0.627 -1.298 1392 3HD1 LEU 84 3HD1 LEU 84 4.887 1.030 -1.483 1393 1HD2 LEU 84 1HD2 LEU 84 1.863 1.566 0.173 1394 2HD2 LEU 84 2HD2 LEU 84 2.383 3.025 1.017 1395 3HD2 LEU 84 3HD2 LEU 84 2.515 1.455 1.808 1396 H LEU 85 H LEU 85 8.135 0.710 -0.548 1397 HA LEU 85 HA LEU 85 7.907 3.474 -1.539 1398 1HB LEU 85 2HB LEU 85 10.146 1.734 -0.963 1399 2HB LEU 85 1HB LEU 85 10.212 2.312 -2.617 1400 HG LEU 85 HG LEU 85 9.956 4.649 -1.710 1401 1HD1 LEU 85 1HD1 LEU 85 9.618 5.024 0.444 1402 2HD1 LEU 85 2HD1 LEU 85 10.986 4.007 0.898 1403 3HD1 LEU 85 3HD1 LEU 85 9.396 3.286 0.649 1404 1HD2 LEU 85 1HD2 LEU 85 12.413 3.990 -0.434 1405 2HD2 LEU 85 2HD2 LEU 85 12.149 4.716 -2.020 1406 3HD2 LEU 85 3HD2 LEU 85 12.221 2.961 -1.853 1407 H PHE 86 H PHE 86 7.099 3.819 -3.476 1408 HA PHE 86 HA PHE 86 7.465 1.879 -5.602 1409 1HB PHE 86 2HB PHE 86 5.284 1.248 -5.933 1410 2HB PHE 86 1HB PHE 86 5.279 1.424 -4.184 1411 HD1 PHE 86 1HD PHE 86 4.403 3.136 -7.344 1412 HD2 PHE 86 2HD PHE 86 3.830 2.936 -3.133 1413 HE1 PHE 86 1HE PHE 86 2.539 4.730 -7.528 1414 HE2 PHE 86 2HE PHE 86 1.964 4.530 -3.308 1415 HZ PHE 86 HZ PHE 86 1.317 5.429 -5.508 1416 H LYS 87 H LYS 87 8.071 2.978 -7.317 1417 HA LYS 87 HA LYS 87 7.312 5.795 -7.591 1418 1HB LYS 87 2HB LYS 87 9.699 4.383 -8.036 1419 2HB LYS 87 1HB LYS 87 9.111 4.830 -9.633 1420 1HG LYS 87 2HG LYS 87 8.996 7.161 -8.951 1421 2HG LYS 87 1HG LYS 87 9.556 6.720 -7.335 1422 1HD LYS 87 2HD LYS 87 11.602 7.149 -8.134 1423 2HD LYS 87 1HD LYS 87 11.461 5.581 -8.930 1424 1HE LYS 87 2HE LYS 87 11.027 8.324 -10.070 1425 2HE LYS 87 1HE LYS 87 12.111 7.054 -10.634 1426 1HZ LYS 87 1HZ LYS 87 9.144 6.957 -10.753 1427 2HZ LYS 87 2HZ LYS 87 10.197 5.763 -11.324 1428 3HZ LYS 87 3HZ LYS 87 10.168 7.286 -12.060 1429 H SER 88 H SER 88 6.840 6.582 -9.814 1430 HA SER 88 HA SER 88 5.250 4.608 -11.310 1431 1HB SER 88 2HB SER 88 4.490 7.140 -10.163 1432 2HB SER 88 1HB SER 88 4.274 7.178 -11.913 1433 HG SER 88 HG SER 88 2.856 5.524 -11.788 1434 H GLY 89 H GLY 89 8.049 5.691 -11.524 1435 1HA GLY 89 2HA GLY 89 9.536 6.161 -13.214 1436 2HA GLY 89 1HA GLY 89 8.277 5.639 -14.322 Start of MODEL 3 1 1H MET 1 1HT MET 1 -28.164 4.036 4.435 2 2H MET 1 2HT MET 1 -28.036 3.511 6.065 3 3H MET 1 3HT MET 1 -28.470 2.397 4.832 4 HA MET 1 HA MET 1 -25.959 3.044 5.786 5 1HB MET 1 2HB MET 1 -26.805 0.833 5.141 6 2HB MET 1 1HB MET 1 -26.924 1.356 3.466 7 1HG MET 1 2HG MET 1 -24.839 0.736 3.107 8 2HG MET 1 1HG MET 1 -24.275 1.843 4.358 9 1HE MET 1 1HE MET 1 -25.518 -2.471 4.702 10 2HE MET 1 2HE MET 1 -24.087 -2.214 3.702 11 3HE MET 1 3HE MET 1 -25.592 -1.377 3.321 12 H CYS 2 H CYS 2 -27.113 5.325 4.345 13 HA CYS 2 HA CYS 2 -25.298 5.547 2.050 14 1HB CYS 2 2HB CYS 2 -27.892 6.794 2.778 15 2HB CYS 2 1HB CYS 2 -26.750 7.800 1.892 16 HG CYS 2 HG CYS 2 -28.242 5.361 0.768 17 H ASP 3 H ASP 3 -24.100 5.638 4.551 18 HA ASP 3 HA ASP 3 -23.450 8.496 4.854 19 1HB ASP 3 2HB ASP 3 -22.629 6.621 6.990 20 2HB ASP 3 1HB ASP 3 -23.283 8.251 7.109 21 H ARG 4 H ARG 4 -21.172 8.903 5.589 22 HA ARG 4 HA ARG 4 -19.345 7.103 4.144 23 1HB ARG 4 2HB ARG 4 -18.020 9.525 4.492 24 2HB ARG 4 1HB ARG 4 -18.747 8.929 3.008 25 1HG ARG 4 2HG ARG 4 -20.616 10.234 4.852 26 2HG ARG 4 1HG ARG 4 -19.361 11.282 4.189 27 1HD ARG 4 2HD ARG 4 -19.996 10.718 1.944 28 2HD ARG 4 1HD ARG 4 -21.127 9.496 2.523 29 HE ARG 4 HE ARG 4 -22.632 11.171 3.074 30 1HH1 ARG 4 1HH1 ARG 4 -19.596 12.530 2.042 31 2HH1 ARG 4 2HH1 ARG 4 -20.227 14.133 1.858 32 1HH2 ARG 4 1HH2 ARG 4 -23.476 13.276 2.829 33 2HH2 ARG 4 2HH2 ARG 4 -22.434 14.557 2.306 34 H LYS 5 H LYS 5 -19.182 5.826 6.111 35 HA LYS 5 HA LYS 5 -18.204 6.877 8.539 36 1HB LYS 5 2HB LYS 5 -19.119 4.423 7.679 37 2HB LYS 5 1HB LYS 5 -17.413 4.115 7.976 38 1HG LYS 5 2HG LYS 5 -19.298 5.349 9.974 39 2HG LYS 5 1HG LYS 5 -18.858 3.640 9.922 40 1HD LYS 5 2HD LYS 5 -16.447 4.399 10.109 41 2HD LYS 5 1HD LYS 5 -17.081 6.001 10.491 42 1HE LYS 5 2HE LYS 5 -16.524 4.132 12.347 43 2HE LYS 5 1HE LYS 5 -17.742 5.388 12.559 44 1HZ LYS 5 1HZ LYS 5 -18.105 2.532 11.964 45 2HZ LYS 5 2HZ LYS 5 -19.277 3.635 11.445 46 3HZ LYS 5 3HZ LYS 5 -18.910 3.505 13.091 47 H ALA 6 H ALA 6 -16.341 7.919 8.722 48 HA ALA 6 HA ALA 6 -13.857 6.923 8.704 49 1HB ALA 6 1HB ALA 6 -14.186 6.281 6.340 50 2HB ALA 6 2HB ALA 6 -12.825 7.379 6.565 51 3HB ALA 6 3HB ALA 6 -14.352 7.986 5.924 52 H VAL 7 H VAL 7 -12.086 8.657 8.275 53 HA VAL 7 HA VAL 7 -13.190 11.340 8.770 54 HB VAL 7 HB VAL 7 -10.757 10.300 10.209 55 1HG1 VAL 7 1HG1 VAL 7 -10.858 12.694 10.070 56 2HG1 VAL 7 2HG1 VAL 7 -11.262 12.213 11.717 57 3HG1 VAL 7 3HG1 VAL 7 -12.540 12.699 10.602 58 1HG2 VAL 7 1HG2 VAL 7 -12.014 9.184 11.660 59 2HG2 VAL 7 2HG2 VAL 7 -13.431 9.517 10.664 60 3HG2 VAL 7 3HG2 VAL 7 -12.986 10.624 11.963 61 H ILE 8 H ILE 8 -12.660 11.322 6.374 62 HA ILE 8 HA ILE 8 -10.331 11.106 5.109 63 HB ILE 8 HB ILE 8 -12.592 12.915 4.813 64 1HG1 ILE 8 2HG1 ILE 8 -11.884 12.428 2.335 65 2HG1 ILE 8 1HG1 ILE 8 -10.806 11.255 3.083 66 1HG2 ILE 8 1HG2 ILE 8 -11.298 14.336 3.078 67 2HG2 ILE 8 2HG2 ILE 8 -9.884 13.928 4.050 68 3HG2 ILE 8 3HG2 ILE 8 -11.236 14.792 4.780 69 1HD1 ILE 8 1HD1 ILE 8 -13.803 11.339 3.186 70 2HD1 ILE 8 2HD1 ILE 8 -12.833 10.314 4.244 71 3HD1 ILE 8 3HD1 ILE 8 -12.766 10.092 2.495 72 H LYS 9 H LYS 9 -8.442 12.306 4.753 73 HA LYS 9 HA LYS 9 -7.849 14.410 6.719 74 1HB LYS 9 2HB LYS 9 -5.952 12.155 6.053 75 2HB LYS 9 1HB LYS 9 -5.688 13.445 7.218 76 1HG LYS 9 2HG LYS 9 -8.086 11.773 7.627 77 2HG LYS 9 1HG LYS 9 -6.524 11.000 7.894 78 1HD LYS 9 2HD LYS 9 -6.315 12.016 9.859 79 2HD LYS 9 1HD LYS 9 -6.515 13.595 9.097 80 1HE LYS 9 2HE LYS 9 -9.064 12.385 9.189 81 2HE LYS 9 1HE LYS 9 -8.329 12.163 10.776 82 1HZ LYS 9 1HZ LYS 9 -9.613 14.386 9.973 83 2HZ LYS 9 2HZ LYS 9 -8.002 14.811 9.682 84 3HZ LYS 9 3HZ LYS 9 -8.483 14.331 11.232 85 H ASN 10 H ASN 10 -7.750 13.264 3.559 86 HA ASN 10 HA ASN 10 -6.834 15.638 2.439 87 1HB ASN 10 2HB ASN 10 -4.710 13.879 3.332 88 2HB ASN 10 1HB ASN 10 -4.630 14.136 1.592 89 1HD2 ASN 10 1HD2 ASN 10 -5.497 16.688 1.325 90 2HD2 ASN 10 2HD2 ASN 10 -4.410 17.773 2.117 91 H ALA 11 H ALA 11 -8.504 15.242 1.017 92 HA ALA 11 HA ALA 11 -8.002 13.102 -0.940 93 1HB ALA 11 1HB ALA 11 -10.194 12.401 -0.959 94 2HB ALA 11 2HB ALA 11 -10.796 13.916 -0.286 95 3HB ALA 11 3HB ALA 11 -9.951 12.764 0.749 96 H ASP 12 H ASP 12 -7.296 14.218 -2.657 97 HA ASP 12 HA ASP 12 -8.672 16.673 -3.445 98 1HB ASP 12 2HB ASP 12 -6.032 15.435 -4.128 99 2HB ASP 12 1HB ASP 12 -6.761 16.570 -5.259 100 H MET 13 H MET 13 -9.843 14.002 -3.650 101 HA MET 13 HA MET 13 -10.052 13.658 -6.556 102 1HB MET 13 2HB MET 13 -9.579 11.565 -5.711 103 2HB MET 13 1HB MET 13 -10.422 11.867 -4.200 104 1HG MET 13 2HG MET 13 -12.485 11.896 -5.955 105 2HG MET 13 1HG MET 13 -11.400 10.736 -6.721 106 1HE MET 13 1HE MET 13 -10.855 8.055 -5.147 107 2HE MET 13 2HE MET 13 -10.591 8.615 -3.496 108 3HE MET 13 3HE MET 13 -9.884 9.496 -4.850 109 H SER 14 H SER 14 -12.298 12.973 -7.304 110 HA SER 14 HA SER 14 -14.093 15.045 -7.018 111 1HB SER 14 2HB SER 14 -14.019 12.556 -8.384 112 2HB SER 14 1HB SER 14 -15.575 12.656 -7.561 113 HG SER 14 HG SER 14 -15.015 13.751 -9.808 114 H GLU 15 H GLU 15 -15.395 15.683 -5.435 115 HA GLU 15 HA GLU 15 -15.565 14.811 -2.920 116 1HB GLU 15 2HB GLU 15 -18.241 15.438 -3.447 117 2HB GLU 15 1HB GLU 15 -16.987 16.532 -2.881 118 1HG GLU 15 2HG GLU 15 -17.887 17.596 -4.742 119 2HG GLU 15 1HG GLU 15 -16.402 16.860 -5.340 120 H GLU 16 H GLU 16 -18.181 13.884 -5.164 121 HA GLU 16 HA GLU 16 -19.259 11.863 -3.617 122 1HB GLU 16 2HB GLU 16 -20.510 12.564 -5.490 123 2HB GLU 16 1HB GLU 16 -19.173 12.276 -6.597 124 1HG GLU 16 2HG GLU 16 -19.420 9.892 -6.339 125 2HG GLU 16 1HG GLU 16 -20.675 10.122 -5.125 126 H MET 17 H MET 17 -16.404 11.849 -5.598 127 HA MET 17 HA MET 17 -16.111 9.017 -5.749 128 1HB MET 17 2HB MET 17 -14.427 11.384 -6.392 129 2HB MET 17 1HB MET 17 -13.604 9.850 -6.150 130 1HG MET 17 2HG MET 17 -15.853 9.427 -7.844 131 2HG MET 17 1HG MET 17 -14.917 10.788 -8.459 132 1HE MET 17 1HE MET 17 -13.849 7.758 -6.389 133 2HE MET 17 2HE MET 17 -12.956 6.735 -7.514 134 3HE MET 17 3HE MET 17 -14.714 6.825 -7.610 135 H GLN 18 H GLN 18 -14.840 11.529 -3.594 136 HA GLN 18 HA GLN 18 -13.153 9.803 -2.105 137 1HB GLN 18 2HB GLN 18 -13.861 11.854 -0.374 138 2HB GLN 18 1HB GLN 18 -12.474 11.835 -1.453 139 1HG GLN 18 2HG GLN 18 -14.495 12.662 -3.101 140 2HG GLN 18 1HG GLN 18 -14.914 13.414 -1.563 141 1HE2 GLN 18 1HE2 GLN 18 -11.706 12.682 -2.816 142 2HE2 GLN 18 2HE2 GLN 18 -11.165 14.321 -2.901 143 H GLN 19 H GLN 19 -16.540 10.582 -1.973 144 HA GLN 19 HA GLN 19 -16.971 9.449 0.632 145 1HB GLN 19 2HB GLN 19 -19.182 10.081 0.393 146 2HB GLN 19 1HB GLN 19 -18.394 11.234 -0.675 147 1HG GLN 19 2HG GLN 19 -19.436 10.445 -2.477 148 2HG GLN 19 1HG GLN 19 -19.145 8.766 -2.022 149 1HE2 GLN 19 1HE2 GLN 19 -20.435 9.362 0.632 150 2HE2 GLN 19 2HE2 GLN 19 -22.131 9.301 0.309 151 H ASP 20 H ASP 20 -17.393 8.466 -2.721 152 HA ASP 20 HA ASP 20 -18.513 5.925 -2.134 153 1HB ASP 20 2HB ASP 20 -18.029 7.441 -4.446 154 2HB ASP 20 1HB ASP 20 -17.068 5.979 -4.643 155 H SER 21 H SER 21 -15.313 7.229 -2.334 156 HA SER 21 HA SER 21 -13.880 4.796 -2.589 157 1HB SER 21 2HB SER 21 -12.759 6.872 -3.094 158 2HB SER 21 1HB SER 21 -13.079 7.495 -1.476 159 HG SER 21 HG SER 21 -11.600 6.117 -0.640 160 H VAL 22 H VAL 22 -14.670 6.838 0.222 161 HA VAL 22 HA VAL 22 -13.524 5.260 2.202 162 HB VAL 22 HB VAL 22 -16.066 6.887 2.397 163 1HG1 VAL 22 1HG1 VAL 22 -16.007 5.441 4.268 164 2HG1 VAL 22 2HG1 VAL 22 -15.412 7.003 4.833 165 3HG1 VAL 22 3HG1 VAL 22 -14.277 5.694 4.499 166 1HG2 VAL 22 1HG2 VAL 22 -14.476 8.559 3.455 167 2HG2 VAL 22 2HG2 VAL 22 -14.353 8.351 1.709 168 3HG2 VAL 22 3HG2 VAL 22 -13.169 7.592 2.772 169 H GLU 23 H GLU 23 -16.783 5.138 0.804 170 HA GLU 23 HA GLU 23 -17.858 3.104 2.356 171 1HB GLU 23 2HB GLU 23 -18.339 4.010 -0.463 172 2HB GLU 23 1HB GLU 23 -19.164 2.585 0.153 173 1HG GLU 23 2HG GLU 23 -19.293 4.970 1.869 174 2HG GLU 23 1HG GLU 23 -20.135 5.085 0.324 175 H CYS 24 H CYS 24 -15.906 2.908 -0.589 176 HA CYS 24 HA CYS 24 -16.005 0.110 -0.894 177 1HB CYS 24 2HB CYS 24 -14.736 2.284 -2.186 178 2HB CYS 24 1HB CYS 24 -13.462 1.149 -1.754 179 HG CYS 24 HG CYS 24 -15.864 -0.012 -3.296 180 H ALA 25 H ALA 25 -13.881 2.236 0.951 181 HA ALA 25 HA ALA 25 -12.092 0.182 1.799 182 1HB ALA 25 1HB ALA 25 -12.639 2.997 2.670 183 2HB ALA 25 2HB ALA 25 -11.163 2.304 1.997 184 3HB ALA 25 3HB ALA 25 -11.627 1.946 3.660 185 H THR 26 H THR 26 -15.122 1.491 2.809 186 HA THR 26 HA THR 26 -15.220 0.294 5.388 187 HB THR 26 HB THR 26 -17.705 0.893 3.849 188 HG1 THR 26 1HG THR 26 -15.687 2.728 4.449 189 1HG2 THR 26 1HG2 THR 26 -16.889 1.755 6.602 190 2HG2 THR 26 2HG2 THR 26 -17.719 0.238 6.255 191 3HG2 THR 26 3HG2 THR 26 -18.502 1.776 5.888 192 H GLN 27 H GLN 27 -16.207 -0.615 2.141 193 HA GLN 27 HA GLN 27 -17.717 -2.891 2.755 194 1HB GLN 27 2HB GLN 27 -16.120 -2.036 0.363 195 2HB GLN 27 1HB GLN 27 -16.803 -3.654 0.422 196 1HG GLN 27 2HG GLN 27 -19.015 -2.412 0.983 197 2HG GLN 27 1HG GLN 27 -18.190 -1.018 0.286 198 1HE2 GLN 27 1HE2 GLN 27 -17.809 -4.366 -0.700 199 2HE2 GLN 27 2HE2 GLN 27 -18.481 -4.174 -2.279 200 H ALA 28 H ALA 28 -14.268 -2.401 2.254 201 HA ALA 28 HA ALA 28 -13.616 -5.176 2.715 202 1HB ALA 28 1HB ALA 28 -11.289 -4.437 2.558 203 2HB ALA 28 2HB ALA 28 -11.820 -2.755 2.551 204 3HB ALA 28 3HB ALA 28 -12.247 -3.820 1.211 205 H LEU 29 H LEU 29 -14.049 -2.325 4.590 206 HA LEU 29 HA LEU 29 -12.534 -3.223 6.865 207 1HB LEU 29 2HB LEU 29 -14.342 -0.903 6.318 208 2HB LEU 29 1HB LEU 29 -13.815 -1.263 7.953 209 HG LEU 29 HG LEU 29 -11.702 -1.097 5.886 210 1HD1 LEU 29 1HD1 LEU 29 -13.550 0.841 5.758 211 2HD1 LEU 29 2HD1 LEU 29 -11.833 1.101 5.447 212 3HD1 LEU 29 3HD1 LEU 29 -12.513 1.488 7.029 213 1HD2 LEU 29 1HD2 LEU 29 -11.992 -0.169 8.740 214 2HD2 LEU 29 2HD2 LEU 29 -10.544 0.051 7.759 215 3HD2 LEU 29 3HD2 LEU 29 -11.096 -1.574 8.164 216 H GLU 30 H GLU 30 -15.783 -3.473 5.703 217 HA GLU 30 HA GLU 30 -16.812 -4.355 8.278 218 1HB GLU 30 2HB GLU 30 -17.949 -3.342 5.784 219 2HB GLU 30 1HB GLU 30 -18.832 -4.718 6.430 220 1HG GLU 30 2HG GLU 30 -18.184 -2.197 7.941 221 2HG GLU 30 1HG GLU 30 -19.736 -2.574 7.194 222 H LYS 31 H LYS 31 -15.918 -5.649 5.148 223 HA LYS 31 HA LYS 31 -16.983 -8.275 5.763 224 1HB LYS 31 2HB LYS 31 -15.710 -6.985 3.403 225 2HB LYS 31 1HB LYS 31 -15.575 -8.733 3.545 226 1HG LYS 31 2HG LYS 31 -17.804 -9.076 3.219 227 2HG LYS 31 1HG LYS 31 -18.256 -7.510 3.899 228 1HD LYS 31 2HD LYS 31 -18.361 -6.635 1.861 229 2HD LYS 31 1HD LYS 31 -16.676 -7.071 1.569 230 1HE LYS 31 2HE LYS 31 -18.127 -9.453 1.338 231 2HE LYS 31 1HE LYS 31 -19.084 -8.234 0.498 232 1HZ LYS 31 1HZ LYS 31 -17.386 -9.418 -0.884 233 2HZ LYS 31 2HZ LYS 31 -16.187 -8.627 0.009 234 3HZ LYS 31 3HZ LYS 31 -17.280 -7.730 -0.917 235 H TYR 32 H TYR 32 -14.000 -6.558 6.000 236 HA TYR 32 HA TYR 32 -12.779 -8.835 7.324 237 1HB TYR 32 2HB TYR 32 -10.866 -7.602 5.494 238 2HB TYR 32 1HB TYR 32 -11.176 -9.304 5.815 239 HD1 TYR 32 1HD TYR 32 -11.740 -10.526 3.953 240 HD2 TYR 32 2HD TYR 32 -13.021 -6.477 4.186 241 HE1 TYR 32 1HE TYR 32 -12.814 -10.745 1.753 242 HE2 TYR 32 2HE TYR 32 -14.099 -6.684 1.986 243 HH TYR 32 HH TYR 32 -13.456 -8.794 -0.184 244 H ASN 33 H ASN 33 -10.902 -8.251 8.580 245 HA ASN 33 HA ASN 33 -10.688 -5.354 9.075 246 1HB ASN 33 2HB ASN 33 -10.062 -7.067 11.369 247 2HB ASN 33 1HB ASN 33 -11.057 -5.615 11.286 248 1HD2 ASN 33 1HD2 ASN 33 -11.246 -8.572 12.303 249 2HD2 ASN 33 2HD2 ASN 33 -12.863 -9.000 11.869 250 H ILE 34 H ILE 34 -9.089 -7.128 7.384 251 HA ILE 34 HA ILE 34 -6.510 -7.080 8.799 252 HB ILE 34 HB ILE 34 -7.091 -8.452 6.184 253 1HG1 ILE 34 2HG1 ILE 34 -8.557 -9.496 7.745 254 2HG1 ILE 34 1HG1 ILE 34 -7.164 -10.558 7.574 255 1HG2 ILE 34 1HG2 ILE 34 -4.709 -7.840 7.137 256 2HG2 ILE 34 2HG2 ILE 34 -5.011 -9.371 6.315 257 3HG2 ILE 34 3HG2 ILE 34 -4.974 -9.309 8.077 258 1HD1 ILE 34 1HD1 ILE 34 -8.000 -8.881 9.879 259 2HD1 ILE 34 2HD1 ILE 34 -6.292 -9.263 9.660 260 3HD1 ILE 34 3HD1 ILE 34 -7.472 -10.562 9.837 261 H GLU 35 H GLU 35 -5.517 -5.190 8.478 262 HA GLU 35 HA GLU 35 -5.792 -3.174 6.832 263 1HB GLU 35 2HB GLU 35 -3.183 -4.516 7.518 264 2HB GLU 35 1HB GLU 35 -3.251 -2.982 6.664 265 1HG GLU 35 2HG GLU 35 -2.890 -2.772 9.105 266 2HG GLU 35 1HG GLU 35 -4.311 -1.915 8.512 267 H LYS 36 H LYS 36 -3.194 -5.256 5.685 268 HA LYS 36 HA LYS 36 -3.192 -4.602 3.073 269 1HB LYS 36 2HB LYS 36 -2.836 -7.386 3.015 270 2HB LYS 36 1HB LYS 36 -1.590 -6.152 3.124 271 1HG LYS 36 2HG LYS 36 -1.781 -6.224 5.584 272 2HG LYS 36 1HG LYS 36 -2.958 -7.530 5.425 273 1HD LYS 36 2HD LYS 36 -1.314 -8.948 4.377 274 2HD LYS 36 1HD LYS 36 -0.141 -7.630 4.355 275 1HE LYS 36 2HE LYS 36 0.121 -7.680 6.687 276 2HE LYS 36 1HE LYS 36 -1.342 -8.637 6.916 277 1HZ LYS 36 1HZ LYS 36 -0.114 -10.458 6.832 278 2HZ LYS 36 2HZ LYS 36 1.287 -9.542 6.592 279 3HZ LYS 36 3HZ LYS 36 0.391 -10.079 5.262 280 H ASP 37 H ASP 37 -5.271 -7.109 4.498 281 HA ASP 37 HA ASP 37 -6.499 -8.004 2.182 282 1HB ASP 37 2HB ASP 37 -6.735 -8.611 4.812 283 2HB ASP 37 1HB ASP 37 -8.254 -7.761 4.549 284 H ILE 38 H ILE 38 -7.908 -5.650 4.464 285 HA ILE 38 HA ILE 38 -10.079 -4.863 2.998 286 HB ILE 38 HB ILE 38 -8.354 -3.096 4.737 287 1HG1 ILE 38 2HG1 ILE 38 -10.858 -3.918 5.893 288 2HG1 ILE 38 1HG1 ILE 38 -9.956 -5.337 5.367 289 1HG2 ILE 38 1HG2 ILE 38 -9.690 -1.416 4.180 290 2HG2 ILE 38 2HG2 ILE 38 -11.068 -2.324 4.805 291 3HG2 ILE 38 3HG2 ILE 38 -10.609 -2.473 3.109 292 1HD1 ILE 38 1HD1 ILE 38 -8.741 -5.207 7.205 293 2HD1 ILE 38 2HD1 ILE 38 -9.578 -3.729 7.680 294 3HD1 ILE 38 3HD1 ILE 38 -8.129 -3.640 6.678 295 H ALA 39 H ALA 39 -6.809 -3.460 2.842 296 HA ALA 39 HA ALA 39 -7.359 -1.485 0.934 297 1HB ALA 39 1HB ALA 39 -5.119 -2.372 2.330 298 2HB ALA 39 2HB ALA 39 -5.214 -0.989 1.241 299 3HB ALA 39 3HB ALA 39 -4.698 -2.560 0.627 300 H ALA 40 H ALA 40 -6.348 -4.855 0.554 301 HA ALA 40 HA ALA 40 -5.885 -4.896 -2.184 302 1HB ALA 40 1HB ALA 40 -5.285 -6.782 -0.843 303 2HB ALA 40 2HB ALA 40 -6.461 -7.324 -2.040 304 3HB ALA 40 3HB ALA 40 -6.964 -7.049 -0.373 305 H HIS 41 H HIS 41 -8.872 -6.037 -0.600 306 HA HIS 41 HA HIS 41 -10.423 -6.291 -2.869 307 1HB HIS 41 2HB HIS 41 -11.918 -5.266 -0.563 308 2HB HIS 41 1HB HIS 41 -12.087 -6.789 -1.428 309 HD1 HIS 41 1HD HIS 41 -11.756 -5.972 1.817 310 HD2 HIS 41 2HD HIS 41 -9.271 -8.202 -0.655 311 HE1 HIS 41 1HE HIS 41 -10.401 -7.423 3.359 312 HE2 HIS 41 2HE HIS 41 -8.970 -8.830 1.835 313 H ILE 42 H ILE 42 -9.825 -3.426 -0.897 314 HA ILE 42 HA ILE 42 -11.699 -1.704 -2.046 315 HB ILE 42 HB ILE 42 -8.991 -1.105 -0.855 316 1HG1 ILE 42 2HG1 ILE 42 -11.730 -0.613 0.311 317 2HG1 ILE 42 1HG1 ILE 42 -10.855 -2.120 0.561 318 1HG2 ILE 42 1HG2 ILE 42 -10.469 1.192 -0.617 319 2HG2 ILE 42 2HG2 ILE 42 -10.873 0.638 -2.241 320 3HG2 ILE 42 3HG2 ILE 42 -9.189 0.911 -1.797 321 1HD1 ILE 42 1HD1 ILE 42 -8.961 -0.398 1.313 322 2HD1 ILE 42 2HD1 ILE 42 -10.176 -1.044 2.417 323 3HD1 ILE 42 3HD1 ILE 42 -10.392 0.554 1.704 324 H LYS 43 H LYS 43 -8.228 -2.001 -2.830 325 HA LYS 43 HA LYS 43 -8.140 -0.272 -4.976 326 1HB LYS 43 2HB LYS 43 -6.259 -1.642 -3.807 327 2HB LYS 43 1HB LYS 43 -6.603 -2.849 -5.037 328 1HG LYS 43 2HG LYS 43 -6.370 -0.608 -6.549 329 2HG LYS 43 1HG LYS 43 -5.221 -0.278 -5.251 330 1HD LYS 43 2HD LYS 43 -3.983 -1.396 -6.916 331 2HD LYS 43 1HD LYS 43 -4.303 -2.609 -5.675 332 1HE LYS 43 2HE LYS 43 -6.479 -2.733 -7.429 333 2HE LYS 43 1HE LYS 43 -5.054 -2.587 -8.457 334 1HZ LYS 43 1HZ LYS 43 -4.144 -4.420 -6.863 335 2HZ LYS 43 2HZ LYS 43 -5.156 -4.836 -8.153 336 3HZ LYS 43 3HZ LYS 43 -5.786 -4.726 -6.587 337 H LYS 44 H LYS 44 -8.487 -3.817 -5.210 338 HA LYS 44 HA LYS 44 -8.919 -4.124 -7.867 339 1HB LYS 44 2HB LYS 44 -9.317 -5.690 -5.601 340 2HB LYS 44 1HB LYS 44 -10.891 -5.661 -6.385 341 1HG LYS 44 2HG LYS 44 -10.087 -6.679 -8.317 342 2HG LYS 44 1HG LYS 44 -8.408 -6.287 -7.937 343 1HD LYS 44 2HD LYS 44 -9.389 -7.836 -5.795 344 2HD LYS 44 1HD LYS 44 -9.911 -8.634 -7.278 345 1HE LYS 44 2HE LYS 44 -7.121 -7.976 -6.385 346 2HE LYS 44 1HE LYS 44 -7.802 -9.550 -6.792 347 1HZ LYS 44 1HZ LYS 44 -8.133 -8.263 -9.092 348 2HZ LYS 44 2HZ LYS 44 -6.750 -9.163 -8.727 349 3HZ LYS 44 3HZ LYS 44 -6.740 -7.482 -8.533 350 H GLU 45 H GLU 45 -11.588 -3.699 -5.557 351 HA GLU 45 HA GLU 45 -13.696 -3.434 -7.244 352 1HB GLU 45 2HB GLU 45 -13.053 -2.082 -4.648 353 2HB GLU 45 1HB GLU 45 -14.518 -1.644 -5.517 354 1HG GLU 45 2HG GLU 45 -15.565 -3.414 -4.717 355 2HG GLU 45 1HG GLU 45 -14.336 -4.485 -5.387 356 H PHE 46 H PHE 46 -12.018 -0.547 -5.981 357 HA PHE 46 HA PHE 46 -13.098 1.354 -7.599 358 1HB PHE 46 2HB PHE 46 -10.606 1.079 -6.101 359 2HB PHE 46 1HB PHE 46 -10.450 2.151 -7.490 360 HD1 PHE 46 1HD PHE 46 -11.459 4.295 -7.510 361 HD2 PHE 46 2HD PHE 46 -12.269 1.577 -4.338 362 HE1 PHE 46 1HE PHE 46 -12.511 6.112 -6.227 363 HE2 PHE 46 2HE PHE 46 -13.324 3.387 -3.051 364 HZ PHE 46 HZ PHE 46 -13.446 5.659 -3.995 365 H ASP 47 H ASP 47 -10.196 -0.564 -8.370 366 HA ASP 47 HA ASP 47 -9.696 0.514 -10.890 367 1HB ASP 47 2HB ASP 47 -8.982 -2.004 -9.488 368 2HB ASP 47 1HB ASP 47 -8.793 -1.991 -11.239 369 H LYS 48 H LYS 48 -12.117 -1.722 -9.851 370 HA LYS 48 HA LYS 48 -12.960 -2.093 -12.645 371 1HB LYS 48 2HB LYS 48 -12.779 -3.993 -10.377 372 2HB LYS 48 1HB LYS 48 -14.182 -4.149 -11.424 373 1HG LYS 48 2HG LYS 48 -11.352 -4.122 -12.439 374 2HG LYS 48 1HG LYS 48 -12.230 -5.595 -12.023 375 1HD LYS 48 2HD LYS 48 -13.218 -3.566 -14.020 376 2HD LYS 48 1HD LYS 48 -12.265 -4.984 -14.459 377 1HE LYS 48 2HE LYS 48 -14.219 -6.095 -12.927 378 2HE LYS 48 1HE LYS 48 -15.089 -4.767 -13.694 379 1HZ LYS 48 1HZ LYS 48 -14.487 -7.225 -14.797 380 2HZ LYS 48 2HZ LYS 48 -13.482 -6.121 -15.591 381 3HZ LYS 48 3HZ LYS 48 -15.156 -5.888 -15.587 382 H LYS 49 H LYS 49 -13.647 -0.177 -10.293 383 HA LYS 49 HA LYS 49 -16.556 -0.429 -10.613 384 1HB LYS 49 2HB LYS 49 -15.538 -1.024 -8.295 385 2HB LYS 49 1HB LYS 49 -15.350 0.715 -8.118 386 1HG LYS 49 2HG LYS 49 -17.868 0.780 -8.769 387 2HG LYS 49 1HG LYS 49 -17.842 -0.913 -8.271 388 1HD LYS 49 2HD LYS 49 -17.680 -0.389 -6.092 389 2HD LYS 49 1HD LYS 49 -16.515 0.903 -6.397 390 1HE LYS 49 2HE LYS 49 -18.297 2.132 -5.652 391 2HE LYS 49 1HE LYS 49 -18.622 2.125 -7.385 392 1HZ LYS 49 1HZ LYS 49 -19.766 -0.146 -6.106 393 2HZ LYS 49 2HZ LYS 49 -20.514 1.040 -7.053 394 3HZ LYS 49 3HZ LYS 49 -20.314 1.288 -5.392 395 H TYR 50 H TYR 50 -13.970 1.368 -11.403 396 HA TYR 50 HA TYR 50 -15.601 3.718 -11.857 397 1HB TYR 50 2HB TYR 50 -13.016 3.951 -10.304 398 2HB TYR 50 1HB TYR 50 -14.052 5.281 -10.812 399 HD1 TYR 50 1HD TYR 50 -16.382 5.437 -9.826 400 HD2 TYR 50 2HD TYR 50 -13.401 2.829 -8.275 401 HE1 TYR 50 1HE TYR 50 -17.630 5.277 -7.715 402 HE2 TYR 50 2HE TYR 50 -14.641 2.659 -6.159 403 HH TYR 50 HH TYR 50 -16.707 3.031 -5.196 404 H ASN 51 H ASN 51 -12.146 2.801 -11.876 405 HA ASN 51 HA ASN 51 -11.687 2.354 -14.486 406 1HB ASN 51 2HB ASN 51 -12.379 5.162 -14.099 407 2HB ASN 51 1HB ASN 51 -10.810 4.958 -14.872 408 1HD2 ASN 51 1HD2 ASN 51 -13.111 6.075 -16.079 409 2HD2 ASN 51 2HD2 ASN 51 -13.561 5.054 -17.398 410 HA PRO 52 HA PRO 52 -7.841 1.898 -12.232 411 1HB PRO 52 2HB PRO 52 -6.453 0.849 -14.370 412 2HB PRO 52 1HB PRO 52 -7.468 -0.092 -13.274 413 1HG PRO 52 2HG PRO 52 -8.111 1.004 -15.981 414 2HG PRO 52 1HG PRO 52 -8.524 -0.573 -15.282 415 1HD PRO 52 2HD PRO 52 -10.326 1.406 -15.432 416 2HD PRO 52 1HD PRO 52 -10.282 0.299 -14.044 417 H THR 53 H THR 53 -5.246 4.041 -13.503 418 HA THR 53 HA THR 53 -5.914 1.457 -12.284 419 HB THR 53 HB THR 53 -3.237 2.780 -12.763 420 HG1 THR 53 1HG THR 53 -3.333 1.753 -14.569 421 1HG2 THR 53 1HG2 THR 53 -3.576 -0.044 -11.856 422 2HG2 THR 53 2HG2 THR 53 -3.443 1.274 -10.692 423 3HG2 THR 53 3HG2 THR 53 -2.135 0.974 -11.837 424 H TRP 54 H TRP 54 -6.140 1.287 -10.139 425 HA TRP 54 HA TRP 54 -5.708 3.715 -8.566 426 1HB TRP 54 2HB TRP 54 -7.346 1.257 -7.930 427 2HB TRP 54 1HB TRP 54 -7.239 2.704 -6.930 428 HD1 TRP 54 HD TRP 54 -8.612 1.542 -10.338 429 HE1 TRP 54 1HE TRP 54 -10.491 3.153 -11.039 430 HE3 TRP 54 3HE TRP 54 -8.166 4.987 -6.588 431 HZ2 TRP 54 2HZ TRP 54 -11.634 5.568 -10.123 432 HZ3 TRP 54 3HZ TRP 54 -9.690 6.919 -6.573 433 HH2 TRP 54 HH TRP 54 -11.388 7.202 -8.305 434 H HIS 55 H HIS 55 -5.243 3.320 -6.235 435 HA HIS 55 HA HIS 55 -3.651 1.080 -5.457 436 1HB HIS 55 2HB HIS 55 -2.022 3.514 -5.196 437 2HB HIS 55 1HB HIS 55 -1.540 1.886 -5.660 438 HD1 HIS 55 1HD HIS 55 -1.470 1.342 -8.173 439 HD2 HIS 55 2HD HIS 55 -2.683 5.225 -7.326 440 HE1 HIS 55 1HE HIS 55 -1.402 2.561 -10.370 441 HE2 HIS 55 2HE HIS 55 -2.047 4.932 -9.816 442 H CYS 56 H CYS 56 -4.751 0.883 -3.573 443 HA CYS 56 HA CYS 56 -4.973 3.302 -1.908 444 1HB CYS 56 2HB CYS 56 -6.791 1.089 -1.277 445 2HB CYS 56 1HB CYS 56 -7.110 2.813 -1.421 446 HG CYS 56 HG CYS 56 -6.814 1.227 -4.051 447 H ILE 57 H ILE 57 -4.908 3.080 0.343 448 HA ILE 57 HA ILE 57 -3.484 0.701 1.344 449 HB ILE 57 HB ILE 57 -2.953 3.518 2.288 450 1HG1 ILE 57 2HG1 ILE 57 -2.233 3.327 -0.038 451 2HG1 ILE 57 1HG1 ILE 57 -0.835 3.390 1.030 452 1HG2 ILE 57 1HG2 ILE 57 -1.261 1.064 2.670 453 2HG2 ILE 57 2HG2 ILE 57 -2.523 1.539 3.807 454 3HG2 ILE 57 3HG2 ILE 57 -1.154 2.610 3.511 455 1HD1 ILE 57 1HD1 ILE 57 -0.395 1.099 0.747 456 2HD1 ILE 57 2HD1 ILE 57 -0.745 1.728 -0.863 457 3HD1 ILE 57 3HD1 ILE 57 -1.970 0.810 0.011 458 H VAL 58 H VAL 58 -3.777 0.323 3.657 459 HA VAL 58 HA VAL 58 -5.881 1.803 4.989 460 HB VAL 58 HB VAL 58 -7.244 0.258 3.768 461 1HG1 VAL 58 1HG1 VAL 58 -6.672 -1.830 3.253 462 2HG1 VAL 58 2HG1 VAL 58 -6.261 -2.218 4.925 463 3HG1 VAL 58 3HG1 VAL 58 -5.075 -1.428 3.885 464 1HG2 VAL 58 1HG2 VAL 58 -7.475 0.643 6.371 465 2HG2 VAL 58 2HG2 VAL 58 -7.160 -1.091 6.416 466 3HG2 VAL 58 3HG2 VAL 58 -8.537 -0.468 5.507 467 H GLY 59 H GLY 59 -4.999 2.198 6.894 468 1HA GLY 59 2HA GLY 59 -4.038 -0.039 8.500 469 2HA GLY 59 1HA GLY 59 -2.873 1.232 8.158 470 H ARG 60 H ARG 60 -2.743 1.637 10.436 471 HA ARG 60 HA ARG 60 -4.575 3.655 11.288 472 1HB ARG 60 2HB ARG 60 -5.136 2.416 13.429 473 2HB ARG 60 1HB ARG 60 -5.958 1.882 11.971 474 1HG ARG 60 2HG ARG 60 -4.456 0.001 11.769 475 2HG ARG 60 1HG ARG 60 -3.538 0.557 13.171 476 1HD ARG 60 2HD ARG 60 -6.221 0.426 13.991 477 2HD ARG 60 1HD ARG 60 -5.916 -1.049 13.073 478 HE ARG 60 HE ARG 60 -4.720 -1.793 14.855 479 1HH1 ARG 60 1HH1 ARG 60 -4.673 1.687 14.886 480 2HH1 ARG 60 2HH1 ARG 60 -3.760 1.792 16.354 481 1HH2 ARG 60 1HH2 ARG 60 -3.517 -1.669 16.789 482 2HH2 ARG 60 2HH2 ARG 60 -3.103 -0.117 17.435 483 H ASN 61 H ASN 61 -1.749 3.438 10.820 484 HA ASN 61 HA ASN 61 -0.710 4.914 12.882 485 1HB ASN 61 2HB ASN 61 -1.061 2.337 13.818 486 2HB ASN 61 1HB ASN 61 0.638 2.362 13.356 487 1HD2 ASN 61 1HD2 ASN 61 0.596 5.344 13.896 488 2HD2 ASN 61 2HD2 ASN 61 0.763 5.457 15.612 489 H PHE 62 H PHE 62 -0.610 4.313 9.989 490 HA PHE 62 HA PHE 62 2.301 4.025 9.666 491 1HB PHE 62 2HB PHE 62 1.944 3.185 7.483 492 2HB PHE 62 1HB PHE 62 0.741 2.383 8.488 493 HD1 PHE 62 1HD PHE 62 1.303 4.804 5.821 494 HD2 PHE 62 2HD PHE 62 -1.610 2.935 8.297 495 HE1 PHE 62 1HE PHE 62 -0.475 5.605 4.326 496 HE2 PHE 62 2HE PHE 62 -3.394 3.733 6.804 497 HZ PHE 62 HZ PHE 62 -2.832 5.070 4.815 498 H GLY 63 H GLY 63 2.928 5.168 7.427 499 1HA GLY 63 2HA GLY 63 1.722 7.860 7.411 500 2HA GLY 63 1HA GLY 63 3.464 7.677 7.558 501 H SER 64 H SER 64 0.746 7.611 5.435 502 HA SER 64 HA SER 64 2.231 6.602 3.178 503 1HB SER 64 2HB SER 64 0.093 7.365 1.937 504 2HB SER 64 1HB SER 64 -0.036 6.027 3.079 505 HG SER 64 HG SER 64 -1.041 8.612 3.240 506 H TYR 65 H TYR 65 3.323 7.716 1.720 507 HA TYR 65 HA TYR 65 2.835 10.571 1.363 508 1HB TYR 65 2HB TYR 65 4.624 10.443 3.051 509 2HB TYR 65 1HB TYR 65 5.572 9.425 1.973 510 HD1 TYR 65 1HD TYR 65 6.723 10.368 0.061 511 HD2 TYR 65 2HD TYR 65 4.375 12.832 2.614 512 HE1 TYR 65 1HE TYR 65 7.751 12.368 -0.933 513 HE2 TYR 65 2HE TYR 65 5.394 14.839 1.625 514 HH TYR 65 HH TYR 65 6.648 15.607 -0.104 515 H VAL 66 H VAL 66 1.958 9.870 -0.640 516 HA VAL 66 HA VAL 66 4.023 9.286 -2.645 517 HB VAL 66 HB VAL 66 2.703 7.662 -3.758 518 1HG1 VAL 66 1HG1 VAL 66 3.936 6.775 -1.877 519 2HG1 VAL 66 2HG1 VAL 66 2.401 5.921 -2.035 520 3HG1 VAL 66 3HG1 VAL 66 2.601 7.150 -0.788 521 1HG2 VAL 66 1HG2 VAL 66 0.461 7.233 -3.432 522 2HG2 VAL 66 2HG2 VAL 66 0.532 8.966 -3.112 523 3HG2 VAL 66 3HG2 VAL 66 0.481 7.822 -1.770 524 H THR 67 H THR 67 3.392 9.844 -4.842 525 HA THR 67 HA THR 67 2.202 12.407 -4.979 526 HB THR 67 HB THR 67 3.977 11.284 -6.522 527 HG1 THR 67 1HG THR 67 2.886 12.608 -8.335 528 1HG2 THR 67 1HG2 THR 67 2.712 9.430 -7.348 529 2HG2 THR 67 2HG2 THR 67 3.027 10.549 -8.673 530 3HG2 THR 67 3HG2 THR 67 1.434 10.502 -7.917 531 H HIS 68 H HIS 68 0.623 12.545 -7.151 532 HA HIS 68 HA HIS 68 -1.657 10.787 -6.569 533 1HB HIS 68 2HB HIS 68 -2.354 13.510 -7.432 534 2HB HIS 68 1HB HIS 68 -3.072 12.507 -6.176 535 HD1 HIS 68 1HD HIS 68 0.472 13.865 -6.348 536 HD2 HIS 68 2HD HIS 68 -2.942 14.120 -3.995 537 HE1 HIS 68 1HE HIS 68 1.132 15.245 -4.354 538 HE2 HIS 68 2HE HIS 68 -0.923 15.304 -2.896 539 H GLU 69 H GLU 69 -3.390 11.070 -8.352 540 HA GLU 69 HA GLU 69 -2.479 11.793 -10.965 541 1HB GLU 69 2HB GLU 69 -2.475 8.921 -10.117 542 2HB GLU 69 1HB GLU 69 -2.904 9.330 -11.773 543 1HG GLU 69 2HG GLU 69 -0.303 9.742 -10.353 544 2HG GLU 69 1HG GLU 69 -0.624 8.868 -11.850 545 H THR 70 H THR 70 -4.150 11.939 -12.436 546 HA THR 70 HA THR 70 -6.318 12.359 -13.026 547 HB THR 70 HB THR 70 -6.543 9.580 -11.861 548 HG1 THR 70 1HG THR 70 -5.188 9.885 -13.714 549 1HG2 THR 70 1HG2 THR 70 -8.539 11.121 -13.491 550 2HG2 THR 70 2HG2 THR 70 -8.773 10.365 -11.915 551 3HG2 THR 70 3HG2 THR 70 -8.542 9.363 -13.348 552 H LYS 71 H LYS 71 -7.733 10.362 -10.627 553 HA LYS 71 HA LYS 71 -9.163 12.567 -9.500 554 1HB LYS 71 2HB LYS 71 -9.042 9.725 -8.482 555 2HB LYS 71 1HB LYS 71 -10.289 10.917 -8.146 556 1HG LYS 71 2HG LYS 71 -9.698 9.689 -10.831 557 2HG LYS 71 1HG LYS 71 -11.046 9.275 -9.770 558 1HD LYS 71 2HD LYS 71 -11.509 11.871 -9.927 559 2HD LYS 71 1HD LYS 71 -10.611 11.703 -11.437 560 1HE LYS 71 2HE LYS 71 -12.288 9.605 -11.641 561 2HE LYS 71 1HE LYS 71 -13.285 10.705 -10.693 562 1HZ LYS 71 1HZ LYS 71 -12.594 10.818 -13.460 563 2HZ LYS 71 2HZ LYS 71 -12.231 12.268 -12.671 564 3HZ LYS 71 3HZ LYS 71 -13.804 11.649 -12.620 565 H HIS 72 H HIS 72 -6.294 12.711 -9.177 566 HA HIS 72 HA HIS 72 -4.679 13.106 -7.612 567 1HB HIS 72 2HB HIS 72 -7.182 14.006 -6.184 568 2HB HIS 72 1HB HIS 72 -5.571 14.246 -5.513 569 HD1 HIS 72 1HD HIS 72 -4.332 16.278 -6.269 570 HD2 HIS 72 2HD HIS 72 -7.576 15.403 -8.714 571 HE1 HIS 72 1HE HIS 72 -4.521 18.219 -7.855 572 HE2 HIS 72 2HE HIS 72 -6.434 17.625 -9.383 573 H PHE 73 H PHE 73 -7.062 12.364 -5.143 574 HA PHE 73 HA PHE 73 -6.757 9.726 -4.646 575 1HB PHE 73 2HB PHE 73 -4.814 9.296 -3.464 576 2HB PHE 73 1HB PHE 73 -4.238 10.475 -4.636 577 HD1 PHE 73 1HD PHE 73 -4.414 12.988 -3.820 578 HD2 PHE 73 2HD PHE 73 -4.256 9.592 -1.260 579 HE1 PHE 73 1HE PHE 73 -3.609 14.414 -1.983 580 HE2 PHE 73 2HE PHE 73 -3.451 11.012 0.582 581 HZ PHE 73 HZ PHE 73 -3.128 13.426 0.222 582 H ILE 74 H ILE 74 -7.388 9.072 -2.482 583 HA ILE 74 HA ILE 74 -8.393 11.297 -0.837 584 HB ILE 74 HB ILE 74 -10.230 10.222 -2.151 585 1HG1 ILE 74 2HG1 ILE 74 -10.129 10.362 0.832 586 2HG1 ILE 74 1HG1 ILE 74 -11.036 11.348 -0.303 587 1HG2 ILE 74 1HG2 ILE 74 -10.633 7.894 -0.595 588 2HG2 ILE 74 2HG2 ILE 74 -8.975 7.851 -1.198 589 3HG2 ILE 74 3HG2 ILE 74 -10.320 8.015 -2.327 590 1HD1 ILE 74 1HD1 ILE 74 -12.575 10.074 0.978 591 2HD1 ILE 74 2HD1 ILE 74 -11.703 8.577 0.648 592 3HD1 ILE 74 3HD1 ILE 74 -12.556 9.405 -0.655 593 H TYR 75 H TYR 75 -7.144 11.233 0.920 594 HA TYR 75 HA TYR 75 -6.568 8.620 2.142 595 1HB TYR 75 2HB TYR 75 -4.609 10.033 1.537 596 2HB TYR 75 1HB TYR 75 -5.199 11.272 2.641 597 HD1 TYR 75 1HD TYR 75 -4.301 7.644 2.626 598 HD2 TYR 75 2HD TYR 75 -4.374 11.300 4.801 599 HE1 TYR 75 1HE TYR 75 -3.092 6.562 4.474 600 HE2 TYR 75 2HE TYR 75 -3.163 10.230 6.653 601 HH TYR 75 HH TYR 75 -1.804 8.372 7.138 602 H PHE 76 H PHE 76 -8.418 8.297 3.326 603 HA PHE 76 HA PHE 76 -9.098 10.358 5.311 604 1HB PHE 76 2HB PHE 76 -11.233 8.890 5.519 605 2HB PHE 76 1HB PHE 76 -11.052 9.944 4.119 606 HD1 PHE 76 1HD PHE 76 -11.950 6.754 5.141 607 HD2 PHE 76 2HD PHE 76 -9.789 8.767 2.078 608 HE1 PHE 76 1HE PHE 76 -12.266 4.820 3.654 609 HE2 PHE 76 2HE PHE 76 -10.102 6.835 0.583 610 HZ PHE 76 HZ PHE 76 -11.341 4.859 1.371 611 H TYR 77 H TYR 77 -10.006 9.447 7.392 612 HA TYR 77 HA TYR 77 -8.481 7.075 8.243 613 1HB TYR 77 2HB TYR 77 -7.403 9.143 9.062 614 2HB TYR 77 1HB TYR 77 -8.909 9.607 9.847 615 HD1 TYR 77 1HD TYR 77 -9.253 9.024 12.069 616 HD2 TYR 77 2HD TYR 77 -6.416 6.831 9.779 617 HE1 TYR 77 1HE TYR 77 -8.578 7.795 14.090 618 HE2 TYR 77 2HE TYR 77 -5.734 5.597 11.793 619 HH TYR 77 HH TYR 77 -5.832 5.623 14.089 620 H LEU 78 H LEU 78 -10.341 5.789 8.019 621 HA LEU 78 HA LEU 78 -12.894 6.172 8.799 622 1HB LEU 78 2HB LEU 78 -11.165 3.734 9.112 623 2HB LEU 78 1HB LEU 78 -12.868 3.714 9.514 624 HG LEU 78 HG LEU 78 -12.022 2.897 7.166 625 1HD1 LEU 78 1HD1 LEU 78 -14.467 4.083 8.134 626 2HD1 LEU 78 2HD1 LEU 78 -14.223 2.679 7.095 627 3HD1 LEU 78 3HD1 LEU 78 -14.283 4.296 6.393 628 1HD2 LEU 78 1HD2 LEU 78 -10.910 4.617 6.165 629 2HD2 LEU 78 2HD2 LEU 78 -11.878 5.857 6.961 630 3HD2 LEU 78 3HD2 LEU 78 -12.542 4.963 5.594 631 H GLY 79 H GLY 79 -14.052 5.261 10.754 632 1HA GLY 79 2HA GLY 79 -13.802 6.690 12.977 633 2HA GLY 79 1HA GLY 79 -14.280 5.001 13.061 634 H GLN 80 H GLN 80 -11.966 3.673 12.503 635 HA GLN 80 HA GLN 80 -9.963 4.703 14.378 636 1HB GLN 80 2HB GLN 80 -11.637 2.300 14.729 637 2HB GLN 80 1HB GLN 80 -9.918 2.059 15.012 638 1HG GLN 80 2HG GLN 80 -10.583 4.434 16.335 639 2HG GLN 80 1HG GLN 80 -11.887 3.299 16.686 640 1HE2 GLN 80 1HE2 GLN 80 -11.395 2.900 18.781 641 2HE2 GLN 80 2HE2 GLN 80 -9.944 2.118 19.301 642 H VAL 81 H VAL 81 -10.271 4.181 11.401 643 HA VAL 81 HA VAL 81 -7.689 2.834 11.085 644 HB VAL 81 HB VAL 81 -10.072 2.193 9.340 645 1HG1 VAL 81 1HG1 VAL 81 -8.545 0.391 8.504 646 2HG1 VAL 81 2HG1 VAL 81 -7.238 1.175 9.391 647 3HG1 VAL 81 3HG1 VAL 81 -8.054 2.031 8.081 648 1HG2 VAL 81 1HG2 VAL 81 -10.322 0.159 10.442 649 2HG2 VAL 81 2HG2 VAL 81 -10.038 1.296 11.759 650 3HG2 VAL 81 3HG2 VAL 81 -8.729 0.259 11.193 651 H ALA 82 H ALA 82 -7.012 3.058 8.653 652 HA ALA 82 HA ALA 82 -7.864 5.653 7.591 653 1HB ALA 82 1HB ALA 82 -4.961 5.080 7.483 654 2HB ALA 82 2HB ALA 82 -5.627 5.562 9.043 655 3HB ALA 82 3HB ALA 82 -5.811 6.617 7.642 656 H ILE 83 H ILE 83 -7.761 5.841 5.377 657 HA ILE 83 HA ILE 83 -6.765 3.510 3.891 658 HB ILE 83 HB ILE 83 -9.151 4.783 2.738 659 1HG1 ILE 83 2HG1 ILE 83 -9.677 4.723 5.199 660 2HG1 ILE 83 1HG1 ILE 83 -10.757 3.756 4.200 661 1HG2 ILE 83 1HG2 ILE 83 -9.721 2.405 2.311 662 2HG2 ILE 83 2HG2 ILE 83 -8.257 1.939 3.176 663 3HG2 ILE 83 3HG2 ILE 83 -8.141 2.876 1.686 664 1HD1 ILE 83 1HD1 ILE 83 -9.943 2.758 6.396 665 2HD1 ILE 83 2HD1 ILE 83 -8.393 2.544 5.581 666 3HD1 ILE 83 3HD1 ILE 83 -9.838 1.750 4.953 667 H LEU 84 H LEU 84 -5.178 4.224 2.673 668 HA LEU 84 HA LEU 84 -5.243 6.937 1.593 669 1HB LEU 84 2HB LEU 84 -3.183 6.428 2.624 670 2HB LEU 84 1HB LEU 84 -3.102 4.846 1.876 671 HG LEU 84 HG LEU 84 -3.011 6.318 -0.344 672 1HD1 LEU 84 1HD1 LEU 84 -2.930 8.496 0.169 673 2HD1 LEU 84 2HD1 LEU 84 -1.248 8.174 0.589 674 3HD1 LEU 84 3HD1 LEU 84 -2.483 8.185 1.847 675 1HD2 LEU 84 1HD2 LEU 84 -0.367 6.407 0.618 676 2HD2 LEU 84 2HD2 LEU 84 -1.110 5.173 -0.400 677 3HD2 LEU 84 3HD2 LEU 84 -1.123 4.995 1.354 678 H LEU 85 H LEU 85 -6.793 6.682 -0.042 679 HA LEU 85 HA LEU 85 -6.285 4.704 -2.123 680 1HB LEU 85 2HB LEU 85 -8.598 5.943 -1.064 681 2HB LEU 85 1HB LEU 85 -8.470 6.448 -2.738 682 HG LEU 85 HG LEU 85 -8.072 3.832 -3.093 683 1HD1 LEU 85 1HD1 LEU 85 -9.748 2.677 -1.577 684 2HD1 LEU 85 2HD1 LEU 85 -9.599 4.083 -0.523 685 3HD1 LEU 85 3HD1 LEU 85 -8.186 3.087 -0.870 686 1HD2 LEU 85 1HD2 LEU 85 -9.965 5.553 -3.808 687 2HD2 LEU 85 2HD2 LEU 85 -10.907 4.597 -2.663 688 3HD2 LEU 85 3HD2 LEU 85 -10.139 3.814 -4.044 689 H PHE 86 H PHE 86 -5.735 5.167 -4.201 690 HA PHE 86 HA PHE 86 -5.821 7.705 -5.397 691 1HB PHE 86 2HB PHE 86 -3.739 8.636 -5.136 692 2HB PHE 86 1HB PHE 86 -3.931 7.871 -3.564 693 HD1 PHE 86 1HD PHE 86 -2.755 5.744 -3.078 694 HD2 PHE 86 2HD PHE 86 -2.058 7.949 -6.651 695 HE1 PHE 86 1HE PHE 86 -0.659 4.504 -3.430 696 HE2 PHE 86 2HE PHE 86 0.038 6.713 -7.011 697 HZ PHE 86 HZ PHE 86 0.740 4.988 -5.398 698 H LYS 87 H LYS 87 -5.012 7.749 -7.536 699 HA LYS 87 HA LYS 87 -4.389 5.081 -8.625 700 1HB LYS 87 2HB LYS 87 -5.343 7.114 -10.510 701 2HB LYS 87 1HB LYS 87 -5.837 5.438 -10.317 702 1HG LYS 87 2HG LYS 87 -7.095 6.233 -8.244 703 2HG LYS 87 1HG LYS 87 -6.841 7.861 -8.875 704 1HD LYS 87 2HD LYS 87 -8.246 5.592 -10.282 705 2HD LYS 87 1HD LYS 87 -9.008 7.018 -9.575 706 1HE LYS 87 2HE LYS 87 -7.343 8.284 -11.174 707 2HE LYS 87 1HE LYS 87 -7.382 6.760 -12.058 708 1HZ LYS 87 1HZ LYS 87 -9.968 7.131 -11.699 709 2HZ LYS 87 2HZ LYS 87 -9.138 7.771 -13.027 710 3HZ LYS 87 3HZ LYS 87 -9.478 8.751 -11.690 711 H SER 88 H SER 88 -3.593 5.761 -11.139 712 HA SER 88 HA SER 88 -1.428 7.695 -10.906 713 1HB SER 88 2HB SER 88 -1.033 4.760 -11.465 714 2HB SER 88 1HB SER 88 0.163 5.980 -11.898 715 HG SER 88 HG SER 88 -0.716 6.191 -9.317 716 H GLY 89 H GLY 89 -3.974 7.108 -12.406 717 1HA GLY 89 2HA GLY 89 -4.821 7.371 -14.530 718 2HA GLY 89 1HA GLY 89 -3.414 8.392 -14.789 719 1H MET 1 1HT MET 1 23.406 2.144 10.683 720 2H MET 1 2HT MET 1 23.976 3.428 11.669 721 3H MET 1 3HT MET 1 22.993 2.195 12.345 722 HA MET 1 HA MET 1 25.799 2.259 11.827 723 1HB MET 1 2HB MET 1 24.075 1.765 13.917 724 2HB MET 1 1HB MET 1 24.592 0.145 13.465 725 1HG MET 1 2HG MET 1 26.198 0.657 14.986 726 2HG MET 1 1HG MET 1 26.976 1.249 13.519 727 1HE MET 1 1HE MET 1 27.518 2.504 16.890 728 2HE MET 1 2HE MET 1 28.272 3.807 15.970 729 3HE MET 1 3HE MET 1 28.425 2.137 15.422 730 H CYS 2 H CYS 2 24.036 -0.701 12.367 731 HA CYS 2 HA CYS 2 25.565 -2.172 10.520 732 1HB CYS 2 2HB CYS 2 24.457 -4.000 11.321 733 2HB CYS 2 1HB CYS 2 24.004 -2.864 12.588 734 HG CYS 2 HG CYS 2 21.658 -3.089 11.933 735 H ASP 3 H ASP 3 22.812 -0.186 10.118 736 HA ASP 3 HA ASP 3 21.805 0.520 8.180 737 1HB ASP 3 2HB ASP 3 23.284 -1.711 6.773 738 2HB ASP 3 1HB ASP 3 22.480 -0.337 6.021 739 H ARG 4 H ARG 4 20.277 -0.447 6.434 740 HA ARG 4 HA ARG 4 18.405 -1.645 5.960 741 1HB ARG 4 2HB ARG 4 20.319 -3.600 6.939 742 2HB ARG 4 1HB ARG 4 18.665 -4.079 7.297 743 1HG ARG 4 2HG ARG 4 18.361 -4.728 5.206 744 2HG ARG 4 1HG ARG 4 18.807 -3.128 4.607 745 1HD ARG 4 2HD ARG 4 20.311 -4.661 3.610 746 2HD ARG 4 1HD ARG 4 21.212 -3.823 4.873 747 HE ARG 4 HE ARG 4 20.325 -6.613 4.919 748 1HH1 ARG 4 1HH1 ARG 4 22.011 -3.969 6.434 749 2HH1 ARG 4 2HH1 ARG 4 22.844 -4.979 7.569 750 1HH2 ARG 4 1HH2 ARG 4 21.415 -7.952 6.408 751 2HH2 ARG 4 2HH2 ARG 4 22.504 -7.246 7.554 752 H LYS 5 H LYS 5 19.052 -3.144 9.105 753 HA LYS 5 HA LYS 5 17.706 -3.375 10.939 754 1HB LYS 5 2HB LYS 5 17.940 -0.467 10.384 755 2HB LYS 5 1HB LYS 5 16.743 -0.955 11.576 756 1HG LYS 5 2HG LYS 5 19.542 -1.982 11.760 757 2HG LYS 5 1HG LYS 5 19.143 -0.362 12.339 758 1HD LYS 5 2HD LYS 5 17.585 -2.786 13.194 759 2HD LYS 5 1HD LYS 5 19.051 -2.275 14.032 760 1HE LYS 5 2HE LYS 5 16.578 -0.600 13.614 761 2HE LYS 5 1HE LYS 5 17.041 -1.398 15.118 762 1HZ LYS 5 1HZ LYS 5 19.183 -0.043 14.888 763 2HZ LYS 5 2HZ LYS 5 17.783 0.767 15.386 764 3HZ LYS 5 3HZ LYS 5 18.316 0.906 13.787 765 H ALA 6 H ALA 6 16.395 -3.800 8.378 766 HA ALA 6 HA ALA 6 13.631 -3.222 9.203 767 1HB ALA 6 1HB ALA 6 14.773 -2.038 7.058 768 2HB ALA 6 2HB ALA 6 13.047 -2.374 7.204 769 3HB ALA 6 3HB ALA 6 14.091 -3.482 6.313 770 H VAL 7 H VAL 7 12.152 -4.631 7.601 771 HA VAL 7 HA VAL 7 13.246 -7.332 7.343 772 HB VAL 7 HB VAL 7 10.757 -6.656 8.915 773 1HG1 VAL 7 1HG1 VAL 7 10.792 -8.713 7.270 774 2HG1 VAL 7 2HG1 VAL 7 10.095 -8.848 8.885 775 3HG1 VAL 7 3HG1 VAL 7 11.723 -9.451 8.572 776 1HG2 VAL 7 1HG2 VAL 7 12.042 -8.115 10.620 777 2HG2 VAL 7 2HG2 VAL 7 12.545 -6.441 10.384 778 3HG2 VAL 7 3HG2 VAL 7 13.453 -7.751 9.628 779 H ILE 8 H ILE 8 13.066 -6.345 5.107 780 HA ILE 8 HA ILE 8 10.872 -5.623 3.741 781 HB ILE 8 HB ILE 8 13.296 -7.123 3.005 782 1HG1 ILE 8 2HG1 ILE 8 12.677 -5.380 0.977 783 2HG1 ILE 8 1HG1 ILE 8 11.901 -4.627 2.366 784 1HG2 ILE 8 1HG2 ILE 8 11.429 -8.510 1.992 785 2HG2 ILE 8 2HG2 ILE 8 12.639 -7.884 0.871 786 3HG2 ILE 8 3HG2 ILE 8 11.062 -7.104 0.992 787 1HD1 ILE 8 1HD1 ILE 8 14.607 -5.530 2.932 788 2HD1 ILE 8 2HD1 ILE 8 13.848 -3.963 3.215 789 3HD1 ILE 8 3HD1 ILE 8 14.525 -4.342 1.631 790 H LYS 9 H LYS 9 9.211 -6.623 2.580 791 HA LYS 9 HA LYS 9 8.616 -9.417 3.235 792 1HB LYS 9 2HB LYS 9 6.542 -7.231 3.432 793 2HB LYS 9 1HB LYS 9 6.353 -8.924 3.866 794 1HG LYS 9 2HG LYS 9 8.502 -7.536 5.292 795 2HG LYS 9 1HG LYS 9 6.880 -6.922 5.615 796 1HD LYS 9 2HD LYS 9 6.488 -8.645 6.961 797 2HD LYS 9 1HD LYS 9 6.777 -9.764 5.627 798 1HE LYS 9 2HE LYS 9 9.295 -8.824 6.499 799 2HE LYS 9 1HE LYS 9 8.378 -9.267 7.939 800 1HZ LYS 9 1HZ LYS 9 8.556 -11.072 5.605 801 2HZ LYS 9 2HZ LYS 9 8.141 -11.451 7.201 802 3HZ LYS 9 3HZ LYS 9 9.743 -11.070 6.811 803 H ASN 10 H ASN 10 8.677 -6.809 1.093 804 HA ASN 10 HA ASN 10 8.117 -8.371 -1.179 805 1HB ASN 10 2HB ASN 10 5.793 -7.527 0.126 806 2HB ASN 10 1HB ASN 10 5.986 -6.402 -1.216 807 1HD2 ASN 10 1HD2 ASN 10 6.390 -9.883 -0.638 808 2HD2 ASN 10 2HD2 ASN 10 5.554 -10.388 -2.063 809 H ALA 11 H ALA 11 9.310 -7.441 -2.718 810 HA ALA 11 HA ALA 11 9.261 -4.548 -3.028 811 1HB ALA 11 1HB ALA 11 11.959 -5.821 -2.909 812 2HB ALA 11 2HB ALA 11 11.155 -5.322 -1.421 813 3HB ALA 11 3HB ALA 11 11.500 -4.134 -2.679 814 H ASP 12 H ASP 12 8.505 -4.558 -5.070 815 HA ASP 12 HA ASP 12 9.586 -6.372 -7.053 816 1HB ASP 12 2HB ASP 12 7.246 -4.635 -6.818 817 2HB ASP 12 1HB ASP 12 8.003 -4.546 -8.406 818 H MET 13 H MET 13 11.253 -4.353 -5.740 819 HA MET 13 HA MET 13 12.067 -2.764 -8.083 820 1HB MET 13 2HB MET 13 11.608 -1.141 -6.522 821 2HB MET 13 1HB MET 13 11.988 -2.186 -5.163 822 1HG MET 13 2HG MET 13 14.421 -1.856 -6.418 823 2HG MET 13 1HG MET 13 13.654 -0.277 -6.571 824 1HE MET 13 1HE MET 13 13.305 1.040 -3.055 825 2HE MET 13 2HE MET 13 11.991 0.225 -3.904 826 3HE MET 13 3HE MET 13 13.097 1.274 -4.790 827 H SER 14 H SER 14 14.458 -2.276 -8.114 828 HA SER 14 HA SER 14 15.938 -4.616 -8.325 829 1HB SER 14 2HB SER 14 16.375 -1.847 -8.768 830 2HB SER 14 1HB SER 14 17.717 -2.435 -7.786 831 HG SER 14 HG SER 14 18.178 -3.949 -9.345 832 H GLU 15 H GLU 15 17.382 -5.682 -7.023 833 HA GLU 15 HA GLU 15 16.964 -5.794 -4.299 834 1HB GLU 15 2HB GLU 15 19.693 -6.416 -5.342 835 2HB GLU 15 1HB GLU 15 18.696 -7.321 -4.210 836 1HG GLU 15 2HG GLU 15 17.937 -7.074 -7.096 837 2HG GLU 15 1HG GLU 15 19.085 -8.293 -6.546 838 H GLU 16 H GLU 16 19.739 -4.252 -5.931 839 HA GLU 16 HA GLU 16 20.891 -3.134 -3.653 840 1HB GLU 16 2HB GLU 16 21.137 -2.805 -6.545 841 2HB GLU 16 1HB GLU 16 21.463 -1.321 -5.660 842 1HG GLU 16 2HG GLU 16 22.747 -3.729 -4.581 843 2HG GLU 16 1HG GLU 16 23.299 -3.226 -6.177 844 H MET 17 H MET 17 18.173 -2.116 -5.562 845 HA MET 17 HA MET 17 18.062 0.554 -4.531 846 1HB MET 17 2HB MET 17 16.154 -1.164 -6.099 847 2HB MET 17 1HB MET 17 15.679 0.418 -5.498 848 1HG MET 17 2HG MET 17 18.195 0.635 -6.826 849 2HG MET 17 1HG MET 17 17.050 -0.205 -7.870 850 1HE MET 17 1HE MET 17 17.280 2.541 -5.306 851 2HE MET 17 2HE MET 17 15.519 2.648 -5.316 852 3HE MET 17 3HE MET 17 16.487 3.942 -6.024 853 H GLN 18 H GLN 18 16.505 -2.517 -3.760 854 HA GLN 18 HA GLN 18 14.671 -1.493 -1.870 855 1HB GLN 18 2HB GLN 18 15.154 -4.084 -1.058 856 2HB GLN 18 1HB GLN 18 13.950 -3.582 -2.238 857 1HG GLN 18 2HG GLN 18 16.328 -3.777 -3.672 858 2HG GLN 18 1HG GLN 18 16.321 -5.171 -2.594 859 1HE2 GLN 18 1HE2 GLN 18 13.305 -3.826 -3.535 860 2HE2 GLN 18 2HE2 GLN 18 12.854 -5.057 -4.661 861 H GLN 19 H GLN 19 18.033 -2.384 -1.678 862 HA GLN 19 HA GLN 19 18.109 -2.468 1.191 863 1HB GLN 19 2HB GLN 19 20.275 -2.374 -0.910 864 2HB GLN 19 1HB GLN 19 20.608 -2.442 0.816 865 1HG GLN 19 2HG GLN 19 18.861 -4.525 0.450 866 2HG GLN 19 1HG GLN 19 19.822 -4.550 -1.027 867 1HE2 GLN 19 1HE2 GLN 19 20.815 -6.482 -0.461 868 2HE2 GLN 19 2HE2 GLN 19 22.018 -6.572 0.775 869 H ASP 20 H ASP 20 19.056 -0.190 -1.335 870 HA ASP 20 HA ASP 20 19.968 1.797 0.482 871 1HB ASP 20 2HB ASP 20 20.179 3.231 -1.423 872 2HB ASP 20 1HB ASP 20 20.641 1.615 -1.949 873 H SER 21 H SER 21 16.917 0.889 -0.862 874 HA SER 21 HA SER 21 15.513 3.304 -0.344 875 1HB SER 21 2HB SER 21 13.492 1.983 -0.711 876 2HB SER 21 1HB SER 21 14.703 1.567 -1.925 877 HG SER 21 HG SER 21 13.459 -0.069 -0.303 878 H VAL 22 H VAL 22 15.941 0.277 1.451 879 HA VAL 22 HA VAL 22 14.269 0.929 3.620 880 HB VAL 22 HB VAL 22 16.725 -0.829 3.701 881 1HG1 VAL 22 1HG1 VAL 22 14.439 -0.350 5.541 882 2HG1 VAL 22 2HG1 VAL 22 16.140 -0.644 5.903 883 3HG1 VAL 22 3HG1 VAL 22 15.096 -1.983 5.425 884 1HG2 VAL 22 1HG2 VAL 22 14.286 -1.146 2.246 885 2HG2 VAL 22 2HG2 VAL 22 14.369 -2.366 3.516 886 3HG2 VAL 22 3HG2 VAL 22 15.673 -2.230 2.337 887 H GLU 23 H GLU 23 17.773 1.326 3.154 888 HA GLU 23 HA GLU 23 18.345 2.435 5.660 889 1HB GLU 23 2HB GLU 23 19.675 2.848 2.975 890 2HB GLU 23 1HB GLU 23 20.331 3.454 4.490 891 1HG GLU 23 2HG GLU 23 19.663 0.598 4.488 892 2HG GLU 23 1HG GLU 23 20.954 1.065 3.383 893 H CYS 24 H CYS 24 17.093 3.850 2.704 894 HA CYS 24 HA CYS 24 17.351 6.569 3.502 895 1HB CYS 24 2HB CYS 24 16.204 5.088 1.272 896 2HB CYS 24 1HB CYS 24 15.193 6.449 1.743 897 HG CYS 24 HG CYS 24 16.929 7.243 -0.034 898 H ALA 25 H ALA 25 14.867 4.109 3.858 899 HA ALA 25 HA ALA 25 12.872 5.846 4.933 900 1HB ALA 25 1HB ALA 25 11.557 4.001 5.011 901 2HB ALA 25 2HB ALA 25 12.826 2.999 5.715 902 3HB ALA 25 3HB ALA 25 12.812 3.314 3.980 903 H THR 26 H THR 26 15.555 4.024 6.083 904 HA THR 26 HA THR 26 14.988 4.186 8.866 905 HB THR 26 HB THR 26 17.663 3.828 7.505 906 HG1 THR 26 1HG THR 26 17.132 1.825 7.116 907 1HG2 THR 26 1HG2 THR 26 17.358 4.177 10.091 908 2HG2 THR 26 2HG2 THR 26 18.504 3.009 9.431 909 3HG2 THR 26 3HG2 THR 26 16.933 2.467 10.022 910 H GLN 27 H GLN 27 16.917 6.051 6.564 911 HA GLN 27 HA GLN 27 18.170 7.823 8.281 912 1HB GLN 27 2HB GLN 27 17.445 7.780 5.448 913 2HB GLN 27 1HB GLN 27 17.467 9.406 6.119 914 1HG GLN 27 2HG GLN 27 19.780 8.647 7.081 915 2HG GLN 27 1HG GLN 27 19.695 7.462 5.778 916 1HE2 GLN 27 1HE2 GLN 27 21.390 8.344 4.637 917 2HE2 GLN 27 2HE2 GLN 27 21.278 9.861 3.817 918 H ALA 28 H ALA 28 14.955 7.989 6.822 919 HA ALA 28 HA ALA 28 14.256 10.407 8.222 920 1HB ALA 28 1HB ALA 28 12.007 10.027 7.288 921 2HB ALA 28 2HB ALA 28 12.544 8.464 6.671 922 3HB ALA 28 3HB ALA 28 13.266 9.951 6.054 923 H LEU 29 H LEU 29 14.244 7.060 8.899 924 HA LEU 29 HA LEU 29 12.176 7.104 10.889 925 1HB LEU 29 2HB LEU 29 14.205 5.103 9.994 926 2HB LEU 29 1HB LEU 29 13.311 4.848 11.482 927 HG LEU 29 HG LEU 29 11.748 5.490 9.044 928 1HD1 LEU 29 1HD1 LEU 29 12.912 3.905 7.924 929 2HD1 LEU 29 2HD1 LEU 29 11.791 2.851 8.788 930 3HD1 LEU 29 3HD1 LEU 29 13.431 3.084 9.397 931 1HD2 LEU 29 1HD2 LEU 29 10.732 5.158 11.287 932 2HD2 LEU 29 2HD2 LEU 29 11.320 3.496 11.264 933 3HD2 LEU 29 3HD2 LEU 29 10.139 4.030 10.069 934 H GLU 30 H GLU 30 15.578 7.704 10.777 935 HA GLU 30 HA GLU 30 15.905 7.488 13.659 936 1HB GLU 30 2HB GLU 30 18.267 8.102 13.172 937 2HB GLU 30 1HB GLU 30 17.724 6.667 12.313 938 1HG GLU 30 2HG GLU 30 17.924 7.632 10.291 939 2HG GLU 30 1HG GLU 30 17.408 9.214 10.873 940 H LYS 31 H LYS 31 15.809 9.961 11.151 941 HA LYS 31 HA LYS 31 16.415 12.115 12.950 942 1HB LYS 31 2HB LYS 31 15.132 12.353 10.237 943 2HB LYS 31 1HB LYS 31 16.094 13.555 11.083 944 1HG LYS 31 2HG LYS 31 17.332 10.943 10.365 945 2HG LYS 31 1HG LYS 31 17.110 12.174 9.119 946 1HD LYS 31 2HD LYS 31 18.173 13.684 11.068 947 2HD LYS 31 1HD LYS 31 18.921 12.133 11.451 948 1HE LYS 31 2HE LYS 31 20.411 13.233 9.982 949 2HE LYS 31 1HE LYS 31 19.597 12.000 9.021 950 1HZ LYS 31 1HZ LYS 31 18.744 14.840 9.102 951 2HZ LYS 31 2HZ LYS 31 18.207 13.637 8.041 952 3HZ LYS 31 3HZ LYS 31 19.793 14.212 7.931 953 H TYR 32 H TYR 32 13.543 10.598 11.660 954 HA TYR 32 HA TYR 32 11.938 12.092 13.579 955 1HB TYR 32 2HB TYR 32 10.516 11.789 11.058 956 2HB TYR 32 1HB TYR 32 10.694 13.211 12.080 957 HD1 TYR 32 1HD TYR 32 11.723 15.038 11.123 958 HD2 TYR 32 2HD TYR 32 12.802 11.157 9.767 959 HE1 TYR 32 1HE TYR 32 13.223 16.040 9.455 960 HE2 TYR 32 2HE TYR 32 14.303 12.142 8.098 961 HH TYR 32 HH TYR 32 15.595 14.421 7.903 962 H ASN 33 H ASN 33 10.095 11.014 14.292 963 HA ASN 33 HA ASN 33 9.926 8.198 13.447 964 1HB ASN 33 2HB ASN 33 9.251 7.615 15.668 965 2HB ASN 33 1HB ASN 33 10.682 8.633 15.808 966 1HD2 ASN 33 1HD2 ASN 33 10.131 9.170 17.927 967 2HD2 ASN 33 2HD2 ASN 33 8.866 10.292 18.281 968 H ILE 34 H ILE 34 8.537 10.452 12.231 969 HA ILE 34 HA ILE 34 5.748 9.851 12.955 970 HB ILE 34 HB ILE 34 6.649 12.115 11.189 971 1HG1 ILE 34 2HG1 ILE 34 7.781 12.463 13.281 972 2HG1 ILE 34 1HG1 ILE 34 6.406 13.562 13.214 973 1HG2 ILE 34 1HG2 ILE 34 4.286 12.514 12.804 974 2HG2 ILE 34 2HG2 ILE 34 4.147 11.082 11.785 975 3HG2 ILE 34 3HG2 ILE 34 4.495 12.651 11.059 976 1HD1 ILE 34 1HD1 ILE 34 6.608 10.996 14.760 977 2HD1 ILE 34 2HD1 ILE 34 5.132 11.948 14.596 978 3HD1 ILE 34 3HD1 ILE 34 6.542 12.637 15.402 979 H GLU 35 H GLU 35 5.054 8.180 11.768 980 HA GLU 35 HA GLU 35 5.874 6.994 9.563 981 1HB GLU 35 2HB GLU 35 2.965 7.768 9.800 982 2HB GLU 35 1HB GLU 35 3.632 6.336 9.028 983 1HG GLU 35 2HG GLU 35 3.125 5.318 10.945 984 2HG GLU 35 1HG GLU 35 4.595 6.078 11.555 985 H LYS 36 H LYS 36 3.460 9.595 9.158 986 HA LYS 36 HA LYS 36 3.763 9.927 6.429 987 1HB LYS 36 2HB LYS 36 3.302 12.471 7.750 988 2HB LYS 36 1HB LYS 36 2.234 11.542 6.708 989 1HG LYS 36 2HG LYS 36 0.968 11.156 8.483 990 2HG LYS 36 1HG LYS 36 2.270 10.154 9.124 991 1HD LYS 36 2HD LYS 36 1.911 11.660 10.845 992 2HD LYS 36 1HD LYS 36 3.246 12.406 9.966 993 1HE LYS 36 2HE LYS 36 0.328 13.104 9.658 994 2HE LYS 36 1HE LYS 36 1.517 14.038 10.565 995 1HZ LYS 36 1HZ LYS 36 2.506 13.599 7.979 996 2HZ LYS 36 2HZ LYS 36 2.084 15.066 8.706 997 3HZ LYS 36 3HZ LYS 36 0.926 14.188 7.841 998 H ASP 37 H ASP 37 5.295 11.895 8.982 999 HA ASP 37 HA ASP 37 6.873 13.539 7.479 1000 1HB ASP 37 2HB ASP 37 6.661 13.045 10.131 1001 2HB ASP 37 1HB ASP 37 8.241 12.334 9.812 1002 H ILE 38 H ILE 38 8.103 10.501 8.883 1003 HA ILE 38 HA ILE 38 10.500 10.318 7.623 1004 HB ILE 38 HB ILE 38 8.627 7.980 8.019 1005 1HG1 ILE 38 2HG1 ILE 38 10.745 8.638 9.995 1006 2HG1 ILE 38 1HG1 ILE 38 9.326 9.681 9.977 1007 1HG2 ILE 38 1HG2 ILE 38 10.880 7.848 6.660 1008 2HG2 ILE 38 2HG2 ILE 38 10.411 6.572 7.783 1009 3HG2 ILE 38 3HG2 ILE 38 11.583 7.793 8.277 1010 1HD1 ILE 38 1HD1 ILE 38 7.886 7.781 10.359 1011 2HD1 ILE 38 2HD1 ILE 38 9.139 7.856 11.598 1012 3HD1 ILE 38 3HD1 ILE 38 9.269 6.689 10.281 1013 H ALA 39 H ALA 39 7.511 8.839 6.347 1014 HA ALA 39 HA ALA 39 8.415 7.917 3.943 1015 1HB ALA 39 1HB ALA 39 6.205 7.869 3.211 1016 2HB ALA 39 2HB ALA 39 5.778 9.334 4.096 1017 3HB ALA 39 3HB ALA 39 6.056 7.827 4.967 1018 H ALA 40 H ALA 40 7.128 11.188 4.537 1019 HA ALA 40 HA ALA 40 7.387 12.291 2.045 1020 1HB ALA 40 1HB ALA 40 8.068 13.713 4.614 1021 2HB ALA 40 2HB ALA 40 6.428 13.418 4.040 1022 3HB ALA 40 3HB ALA 40 7.517 14.444 3.108 1023 H HIS 41 H HIS 41 9.850 12.721 4.586 1024 HA HIS 41 HA HIS 41 11.862 13.800 3.094 1025 1HB HIS 41 2HB HIS 41 12.699 11.711 5.032 1026 2HB HIS 41 1HB HIS 41 13.230 13.383 4.879 1027 HD1 HIS 41 1HD HIS 41 12.042 11.669 7.456 1028 HD2 HIS 41 2HD HIS 41 10.315 14.827 5.385 1029 HE1 HIS 41 1HE HIS 41 10.386 12.694 9.048 1030 HE2 HIS 41 2HE HIS 41 9.344 14.596 7.769 1031 H ILE 42 H ILE 42 11.109 10.354 3.455 1032 HA ILE 42 HA ILE 42 13.268 9.277 2.087 1033 HB ILE 42 HB ILE 42 10.422 8.261 2.080 1034 1HG1 ILE 42 2HG1 ILE 42 12.750 7.592 3.899 1035 2HG1 ILE 42 1HG1 ILE 42 11.358 8.574 4.345 1036 1HG2 ILE 42 1HG2 ILE 42 11.291 6.138 1.454 1037 2HG2 ILE 42 2HG2 ILE 42 12.954 6.695 1.634 1038 3HG2 ILE 42 3HG2 ILE 42 11.951 7.322 0.326 1039 1HD1 ILE 42 1HD1 ILE 42 11.268 5.671 3.552 1040 2HD1 ILE 42 2HD1 ILE 42 9.895 6.659 4.054 1041 3HD1 ILE 42 3HD1 ILE 42 11.187 6.297 5.199 1042 H LYS 43 H LYS 43 10.022 9.837 0.703 1043 HA LYS 43 HA LYS 43 10.625 9.351 -1.939 1044 1HB LYS 43 2HB LYS 43 8.353 9.636 -1.456 1045 2HB LYS 43 1HB LYS 43 8.623 11.160 -0.620 1046 1HG LYS 43 2HG LYS 43 8.921 12.332 -2.646 1047 2HG LYS 43 1HG LYS 43 9.053 10.839 -3.575 1048 1HD LYS 43 2HD LYS 43 6.723 10.326 -3.137 1049 2HD LYS 43 1HD LYS 43 6.577 11.759 -2.117 1050 1HE LYS 43 2HE LYS 43 7.633 12.485 -4.682 1051 2HE LYS 43 1HE LYS 43 6.149 11.558 -4.888 1052 1HZ LYS 43 1HZ LYS 43 5.242 13.591 -4.607 1053 2HZ LYS 43 2HZ LYS 43 6.545 14.191 -3.711 1054 3HZ LYS 43 3HZ LYS 43 5.391 13.204 -2.967 1055 H LYS 44 H LYS 44 11.137 12.286 -0.068 1056 HA LYS 44 HA LYS 44 11.825 13.980 -2.209 1057 1HB LYS 44 2HB LYS 44 12.926 14.202 0.586 1058 2HB LYS 44 1HB LYS 44 12.639 15.496 -0.569 1059 1HG LYS 44 2HG LYS 44 10.228 13.999 0.066 1060 2HG LYS 44 1HG LYS 44 10.969 14.751 1.480 1061 1HD LYS 44 2HD LYS 44 10.623 16.337 -1.028 1062 2HD LYS 44 1HD LYS 44 9.241 16.078 0.038 1063 1HE LYS 44 2HE LYS 44 10.395 18.180 0.540 1064 2HE LYS 44 1HE LYS 44 10.462 17.056 1.896 1065 1HZ LYS 44 1HZ LYS 44 12.590 18.290 0.579 1066 2HZ LYS 44 2HZ LYS 44 12.703 16.633 0.263 1067 3HZ LYS 44 3HZ LYS 44 12.656 17.186 1.860 1068 H GLU 45 H GLU 45 13.820 12.012 -0.044 1069 HA GLU 45 HA GLU 45 16.277 12.747 -1.297 1070 1HB GLU 45 2HB GLU 45 16.173 12.002 1.043 1071 2HB GLU 45 1HB GLU 45 15.645 10.410 0.514 1072 1HG GLU 45 2HG GLU 45 17.723 9.853 -0.322 1073 2HG GLU 45 1HG GLU 45 18.222 11.536 -0.483 1074 H PHE 46 H PHE 46 13.904 10.250 -1.806 1075 HA PHE 46 HA PHE 46 15.601 8.609 -3.440 1076 1HB PHE 46 2HB PHE 46 12.955 8.435 -2.315 1077 2HB PHE 46 1HB PHE 46 12.911 8.016 -4.026 1078 HD1 PHE 46 1HD PHE 46 13.665 6.886 -0.744 1079 HD2 PHE 46 2HD PHE 46 14.598 6.278 -4.852 1080 HE1 PHE 46 1HE PHE 46 14.541 4.650 -0.211 1081 HE2 PHE 46 2HE PHE 46 15.474 4.040 -4.325 1082 HZ PHE 46 HZ PHE 46 15.448 3.224 -2.000 1083 H ASP 47 H ASP 47 13.223 11.137 -3.984 1084 HA ASP 47 HA ASP 47 13.169 10.813 -6.831 1085 1HB ASP 47 2HB ASP 47 12.323 13.186 -5.150 1086 2HB ASP 47 1HB ASP 47 11.901 12.908 -6.838 1087 H LYS 48 H LYS 48 15.042 12.628 -4.529 1088 HA LYS 48 HA LYS 48 16.299 14.248 -6.577 1089 1HB LYS 48 2HB LYS 48 16.440 15.634 -4.822 1090 2HB LYS 48 1HB LYS 48 15.995 14.353 -3.707 1091 1HG LYS 48 2HG LYS 48 18.064 15.120 -2.947 1092 2HG LYS 48 1HG LYS 48 18.435 13.630 -3.817 1093 1HD LYS 48 2HD LYS 48 20.061 15.218 -4.488 1094 2HD LYS 48 1HD LYS 48 18.925 15.074 -5.831 1095 1HE LYS 48 2HE LYS 48 17.726 17.076 -4.769 1096 2HE LYS 48 1HE LYS 48 19.203 17.294 -3.831 1097 1HZ LYS 48 1HZ LYS 48 18.792 17.572 -6.733 1098 2HZ LYS 48 2HZ LYS 48 20.330 17.194 -6.137 1099 3HZ LYS 48 3HZ LYS 48 19.565 18.625 -5.657 1100 H LYS 49 H LYS 49 17.123 11.559 -4.443 1101 HA LYS 49 HA LYS 49 19.845 11.420 -5.323 1102 1HB LYS 49 2HB LYS 49 18.610 10.530 -3.119 1103 2HB LYS 49 1HB LYS 49 18.554 9.056 -4.073 1104 1HG LYS 49 2HG LYS 49 21.124 9.690 -4.426 1105 2HG LYS 49 1HG LYS 49 20.855 10.441 -2.852 1106 1HD LYS 49 2HD LYS 49 19.953 7.634 -3.366 1107 2HD LYS 49 1HD LYS 49 21.640 7.970 -2.967 1108 1HE LYS 49 2HE LYS 49 20.194 9.428 -1.104 1109 2HE LYS 49 1HE LYS 49 19.299 7.917 -1.255 1110 1HZ LYS 49 1HZ LYS 49 20.892 6.802 -0.200 1111 2HZ LYS 49 2HZ LYS 49 21.511 8.304 0.272 1112 3HZ LYS 49 3HZ LYS 49 22.134 7.524 -1.094 1113 H TYR 50 H TYR 50 16.824 10.039 -6.353 1114 HA TYR 50 HA TYR 50 18.285 8.462 -8.368 1115 1HB TYR 50 2HB TYR 50 15.538 7.818 -7.290 1116 2HB TYR 50 1HB TYR 50 16.531 6.821 -8.347 1117 HD1 TYR 50 1HD TYR 50 16.369 8.247 -4.919 1118 HD2 TYR 50 2HD TYR 50 18.036 5.262 -7.453 1119 HE1 TYR 50 1HE TYR 50 17.316 7.114 -2.953 1120 HE2 TYR 50 2HE TYR 50 18.988 4.122 -5.492 1121 HH TYR 50 HH TYR 50 19.385 4.264 -3.290 1122 H ASN 51 H ASN 51 14.940 9.574 -7.894 1123 HA ASN 51 HA ASN 51 14.592 11.566 -9.617 1124 1HB ASN 51 2HB ASN 51 15.485 10.718 -11.565 1125 2HB ASN 51 1HB ASN 51 15.071 9.055 -11.156 1126 1HD2 ASN 51 1HD2 ASN 51 13.327 8.180 -12.046 1127 2HD2 ASN 51 2HD2 ASN 51 12.135 9.034 -12.960 1128 HA PRO 52 HA PRO 52 10.653 10.479 -7.805 1129 1HB PRO 52 2HB PRO 52 9.279 12.598 -8.928 1130 2HB PRO 52 1HB PRO 52 10.184 12.664 -7.413 1131 1HG PRO 52 2HG PRO 52 11.003 13.534 -10.150 1132 2HG PRO 52 1HG PRO 52 11.311 14.310 -8.586 1133 1HD PRO 52 2HD PRO 52 13.210 12.895 -9.847 1134 2HD PRO 52 1HD PRO 52 13.060 12.872 -8.077 1135 H THR 53 H THR 53 8.186 9.509 -10.218 1136 HA THR 53 HA THR 53 8.766 10.787 -7.644 1137 HB THR 53 HB THR 53 6.787 11.622 -8.888 1138 HG1 THR 53 1HG THR 53 6.461 10.361 -6.390 1139 1HG2 THR 53 1HG2 THR 53 5.057 9.414 -8.197 1140 2HG2 THR 53 2HG2 THR 53 6.257 8.973 -9.413 1141 3HG2 THR 53 3HG2 THR 53 5.177 10.340 -9.693 1142 H TRP 54 H TRP 54 8.835 9.652 -5.813 1143 HA TRP 54 HA TRP 54 8.389 6.758 -6.014 1144 1HB TRP 54 2HB TRP 54 9.998 8.361 -4.016 1145 2HB TRP 54 1HB TRP 54 9.799 6.613 -3.974 1146 HD1 TRP 54 HD TRP 54 11.124 9.257 -6.497 1147 HE1 TRP 54 1HE TRP 54 13.151 8.240 -7.705 1148 HE3 TRP 54 3HE TRP 54 11.096 4.620 -4.350 1149 HZ2 TRP 54 2HZ TRP 54 14.562 5.785 -7.740 1150 HZ3 TRP 54 3HZ TRP 54 12.814 2.994 -5.024 1151 HH2 TRP 54 HH TRP 54 14.509 3.564 -6.683 1152 H HIS 55 H HIS 55 6.442 6.155 -5.336 1153 HA HIS 55 HA HIS 55 5.012 7.640 -3.302 1154 1HB HIS 55 2HB HIS 55 4.220 5.011 -4.574 1155 2HB HIS 55 1HB HIS 55 3.169 6.164 -3.760 1156 HD1 HIS 55 1HD HIS 55 1.736 6.190 -5.977 1157 HD2 HIS 55 2HD HIS 55 5.584 7.720 -6.330 1158 HE1 HIS 55 1HE HIS 55 1.757 7.464 -8.146 1159 HE2 HIS 55 2HE HIS 55 4.110 8.340 -8.363 1160 H CYS 56 H CYS 56 6.100 7.389 -1.384 1161 HA CYS 56 HA CYS 56 6.550 4.629 -0.470 1162 1HB CYS 56 2HB CYS 56 8.170 5.626 1.126 1163 2HB CYS 56 1HB CYS 56 8.589 5.909 -0.561 1164 HG CYS 56 HG CYS 56 8.090 8.040 1.497 1165 H ILE 57 H ILE 57 5.617 3.849 1.282 1166 HA ILE 57 HA ILE 57 4.111 5.676 3.035 1167 HB ILE 57 HB ILE 57 3.223 2.868 2.371 1168 1HG1 ILE 57 2HG1 ILE 57 2.995 4.073 0.323 1169 2HG1 ILE 57 1HG1 ILE 57 1.396 4.026 1.056 1170 1HG2 ILE 57 1HG2 ILE 57 1.313 3.307 3.614 1171 2HG2 ILE 57 2HG2 ILE 57 1.526 5.054 3.512 1172 3HG2 ILE 57 3HG2 ILE 57 2.580 4.097 4.553 1173 1HD1 ILE 57 1HD1 ILE 57 2.652 6.372 1.977 1174 2HD1 ILE 57 2HD1 ILE 57 1.284 6.221 0.875 1175 3HD1 ILE 57 3HD1 ILE 57 2.927 6.277 0.238 1176 H VAL 58 H VAL 58 5.023 5.660 4.981 1177 HA VAL 58 HA VAL 58 6.235 3.149 5.928 1178 HB VAL 58 HB VAL 58 7.987 4.719 5.653 1179 1HG1 VAL 58 1HG1 VAL 58 6.859 6.773 7.453 1180 2HG1 VAL 58 2HG1 VAL 58 6.156 6.655 5.839 1181 3HG1 VAL 58 3HG1 VAL 58 7.885 6.947 6.029 1182 1HG2 VAL 58 1HG2 VAL 58 8.873 4.094 7.591 1183 2HG2 VAL 58 2HG2 VAL 58 7.259 3.722 8.199 1184 3HG2 VAL 58 3HG2 VAL 58 7.941 5.331 8.436 1185 H GLY 59 H GLY 59 5.200 2.210 7.530 1186 1HA GLY 59 2HA GLY 59 3.941 3.892 9.586 1187 2HA GLY 59 1HA GLY 59 3.015 2.598 8.837 1188 H ARG 60 H ARG 60 2.851 0.937 10.187 1189 HA ARG 60 HA ARG 60 5.176 -0.379 11.170 1190 1HB ARG 60 2HB ARG 60 4.249 -0.178 13.601 1191 2HB ARG 60 1HB ARG 60 5.284 1.077 12.935 1192 1HG ARG 60 2HG ARG 60 2.878 2.028 12.212 1193 2HG ARG 60 1HG ARG 60 2.444 1.168 13.692 1194 1HD ARG 60 2HD ARG 60 4.723 3.129 13.526 1195 2HD ARG 60 1HD ARG 60 3.082 3.593 13.974 1196 HE ARG 60 HE ARG 60 3.467 1.732 15.764 1197 1HH1 ARG 60 1HH1 ARG 60 5.766 4.082 14.617 1198 2HH1 ARG 60 2HH1 ARG 60 6.656 4.129 16.103 1199 1HH2 ARG 60 1HH2 ARG 60 4.635 1.784 17.724 1200 2HH2 ARG 60 2HH2 ARG 60 6.014 2.822 17.869 1201 H ASN 61 H ASN 61 1.971 -0.292 10.294 1202 HA ASN 61 HA ASN 61 1.619 -3.055 10.348 1203 1HB ASN 61 2HB ASN 61 1.519 -2.688 12.819 1204 2HB ASN 61 1HB ASN 61 0.092 -1.686 12.572 1205 1HD2 ASN 61 1HD2 ASN 61 1.274 -4.852 11.477 1206 2HD2 ASN 61 2HD2 ASN 61 -0.196 -5.699 11.797 1207 H PHE 62 H PHE 62 1.162 -0.860 8.615 1208 HA PHE 62 HA PHE 62 -1.720 -0.522 8.454 1209 1HB PHE 62 2HB PHE 62 -1.207 0.945 6.537 1210 2HB PHE 62 1HB PHE 62 -0.299 1.403 7.974 1211 HD1 PHE 62 1HD PHE 62 2.064 0.133 8.142 1212 HD2 PHE 62 2HD PHE 62 -0.070 0.959 4.555 1213 HE1 PHE 62 1HE PHE 62 4.161 -0.020 6.865 1214 HE2 PHE 62 2HE PHE 62 2.023 0.809 3.270 1215 HZ PHE 62 HZ PHE 62 4.142 0.319 4.425 1216 H GLY 63 H GLY 63 -2.489 -0.600 5.985 1217 1HA GLY 63 2HA GLY 63 -1.654 -3.225 4.912 1218 2HA GLY 63 1HA GLY 63 -3.344 -2.749 5.008 1219 H SER 64 H SER 64 -0.240 -1.810 3.581 1220 HA SER 64 HA SER 64 -1.388 -0.040 1.676 1221 1HB SER 64 2HB SER 64 0.868 -0.102 0.622 1222 2HB SER 64 1HB SER 64 0.923 0.236 2.352 1223 HG SER 64 HG SER 64 1.511 -2.195 1.026 1224 H TYR 65 H TYR 65 -2.075 -0.360 -0.350 1225 HA TYR 65 HA TYR 65 -1.557 -2.878 -1.710 1226 1HB TYR 65 2HB TYR 65 -3.733 -3.007 -0.312 1227 2HB TYR 65 1HB TYR 65 -4.402 -1.919 -1.524 1228 HD1 TYR 65 1HD TYR 65 -4.972 -2.707 -3.710 1229 HD2 TYR 65 2HD TYR 65 -3.011 -5.284 -0.953 1230 HE1 TYR 65 1HE TYR 65 -5.466 -4.626 -5.163 1231 HE2 TYR 65 2HE TYR 65 -3.502 -7.213 -2.399 1232 HH TYR 65 HH TYR 65 -3.971 -7.542 -4.933 1233 H VAL 66 H VAL 66 -0.277 -1.151 -2.818 1234 HA VAL 66 HA VAL 66 -1.905 0.453 -4.661 1235 HB VAL 66 HB VAL 66 0.231 1.652 -5.156 1236 1HG1 VAL 66 1HG1 VAL 66 -0.298 1.743 -2.208 1237 2HG1 VAL 66 2HG1 VAL 66 -1.509 2.283 -3.369 1238 3HG1 VAL 66 3HG1 VAL 66 0.069 3.067 -3.313 1239 1HG2 VAL 66 1HG2 VAL 66 1.390 -0.518 -3.863 1240 2HG2 VAL 66 2HG2 VAL 66 1.589 0.826 -2.740 1241 3HG2 VAL 66 3HG2 VAL 66 2.204 0.955 -4.389 1242 H THR 67 H THR 67 -1.056 0.667 -6.900 1243 HA THR 67 HA THR 67 -0.199 -1.964 -7.875 1244 HB THR 67 HB THR 67 -1.445 0.291 -9.453 1245 HG1 THR 67 1HG THR 67 -2.677 -0.887 -7.642 1246 1HG2 THR 67 1HG2 THR 67 -1.026 -0.964 -11.219 1247 2HG2 THR 67 2HG2 THR 67 -2.113 -2.180 -10.549 1248 3HG2 THR 67 3HG2 THR 67 -0.384 -2.263 -10.213 1249 H HIS 68 H HIS 68 1.970 -2.015 -8.008 1250 HA HIS 68 HA HIS 68 3.572 0.254 -8.640 1251 1HB HIS 68 2HB HIS 68 5.444 -1.311 -8.663 1252 2HB HIS 68 1HB HIS 68 4.409 -1.622 -7.273 1253 HD1 HIS 68 1HD HIS 68 2.636 -3.028 -9.976 1254 HD2 HIS 68 2HD HIS 68 6.004 -4.177 -7.832 1255 HE1 HIS 68 1HE HIS 68 2.876 -5.499 -10.375 1256 HE2 HIS 68 2HE HIS 68 4.963 -6.159 -9.128 1257 H GLU 69 H GLU 69 5.451 -0.965 -10.424 1258 HA GLU 69 HA GLU 69 4.387 -1.901 -12.814 1259 1HB GLU 69 2HB GLU 69 4.778 0.468 -14.015 1260 2HB GLU 69 1HB GLU 69 3.204 -0.066 -13.438 1261 1HG GLU 69 2HG GLU 69 4.211 1.120 -11.214 1262 2HG GLU 69 1HG GLU 69 4.927 2.104 -12.490 1263 H THR 70 H THR 70 6.444 0.947 -12.803 1264 HA THR 70 HA THR 70 8.471 0.101 -14.342 1265 HB THR 70 HB THR 70 9.151 1.583 -11.820 1266 HG1 THR 70 1HG THR 70 8.056 2.943 -14.002 1267 1HG2 THR 70 1HG2 THR 70 10.027 2.930 -14.112 1268 2HG2 THR 70 2HG2 THR 70 10.405 1.225 -14.362 1269 3HG2 THR 70 3HG2 THR 70 10.999 2.059 -12.926 1270 H LYS 71 H LYS 71 9.755 0.400 -11.156 1271 HA LYS 71 HA LYS 71 9.989 -2.269 -10.383 1272 1HB LYS 71 2HB LYS 71 12.548 -2.395 -11.003 1273 2HB LYS 71 1HB LYS 71 11.317 -2.929 -12.139 1274 1HG LYS 71 2HG LYS 71 11.430 -0.578 -13.113 1275 2HG LYS 71 1HG LYS 71 12.911 -0.388 -12.170 1276 1HD LYS 71 2HD LYS 71 13.434 -1.087 -14.438 1277 2HD LYS 71 1HD LYS 71 13.859 -2.358 -13.291 1278 1HE LYS 71 2HE LYS 71 11.198 -2.347 -14.666 1279 2HE LYS 71 1HE LYS 71 12.626 -3.005 -15.465 1280 1HZ LYS 71 1HZ LYS 71 10.990 -4.206 -13.511 1281 2HZ LYS 71 2HZ LYS 71 12.561 -4.068 -12.900 1282 3HZ LYS 71 3HZ LYS 71 12.292 -4.877 -14.361 1283 H HIS 72 H HIS 72 9.551 0.102 -9.067 1284 HA HIS 72 HA HIS 72 11.902 0.217 -7.313 1285 1HB HIS 72 2HB HIS 72 10.315 2.620 -8.245 1286 2HB HIS 72 1HB HIS 72 11.613 2.650 -7.056 1287 HD1 HIS 72 1HD HIS 72 11.117 3.508 -10.394 1288 HD2 HIS 72 2HD HIS 72 14.067 1.328 -8.442 1289 HE1 HIS 72 1HE HIS 72 13.113 3.559 -11.923 1290 HE2 HIS 72 2HE HIS 72 14.911 2.302 -10.685 1291 H PHE 73 H PHE 73 9.664 -1.355 -6.879 1292 HA PHE 73 HA PHE 73 8.248 0.093 -4.741 1293 1HB PHE 73 2HB PHE 73 6.553 -0.590 -6.181 1294 2HB PHE 73 1HB PHE 73 7.383 -2.079 -6.617 1295 HD1 PHE 73 1HD PHE 73 5.090 -0.485 -4.306 1296 HD2 PHE 73 2HD PHE 73 7.343 -4.008 -5.092 1297 HE1 PHE 73 1HE PHE 73 3.724 -1.719 -2.673 1298 HE2 PHE 73 2HE PHE 73 5.979 -5.249 -3.462 1299 HZ PHE 73 HZ PHE 73 4.167 -4.103 -2.251 1300 H ILE 74 H ILE 74 9.267 -0.328 -2.875 1301 HA ILE 74 HA ILE 74 9.953 -3.136 -2.303 1302 HB ILE 74 HB ILE 74 11.925 -1.579 -2.564 1303 1HG1 ILE 74 2HG1 ILE 74 11.320 -3.260 -0.165 1304 2HG1 ILE 74 1HG1 ILE 74 12.455 -3.551 -1.473 1305 1HG2 ILE 74 1HG2 ILE 74 11.476 0.443 -1.635 1306 2HG2 ILE 74 2HG2 ILE 74 12.221 -0.311 -0.227 1307 3HG2 ILE 74 3HG2 ILE 74 10.465 -0.239 -0.363 1308 1HD1 ILE 74 1HD1 ILE 74 13.119 -1.275 0.255 1309 2HD1 ILE 74 2HD1 ILE 74 14.143 -2.559 -0.385 1310 3HD1 ILE 74 3HD1 ILE 74 13.148 -2.854 1.039 1311 H TYR 75 H TYR 75 9.499 -3.944 -0.288 1312 HA TYR 75 HA TYR 75 8.095 -2.196 1.607 1313 1HB TYR 75 2HB TYR 75 6.594 -3.737 0.087 1314 2HB TYR 75 1HB TYR 75 7.124 -5.002 1.193 1315 HD1 TYR 75 1HD TYR 75 6.183 -1.433 1.766 1316 HD2 TYR 75 2HD TYR 75 5.355 -5.524 2.589 1317 HE1 TYR 75 1HE TYR 75 4.443 -0.753 3.366 1318 HE2 TYR 75 2HE TYR 75 3.612 -4.855 4.191 1319 HH TYR 75 HH TYR 75 3.149 -2.756 5.635 1320 H PHE 76 H PHE 76 8.698 -2.498 3.690 1321 HA PHE 76 HA PHE 76 9.827 -4.994 4.587 1322 1HB PHE 76 2HB PHE 76 11.957 -3.733 5.374 1323 2HB PHE 76 1HB PHE 76 11.860 -4.281 3.703 1324 HD1 PHE 76 1HD PHE 76 12.580 -1.558 5.791 1325 HD2 PHE 76 2HD PHE 76 10.858 -2.530 2.023 1326 HE1 PHE 76 1HE PHE 76 12.979 0.744 5.018 1327 HE2 PHE 76 2HE PHE 76 11.256 -0.231 1.242 1328 HZ PHE 76 HZ PHE 76 12.318 1.409 2.741 1329 H TYR 77 H TYR 77 10.452 -4.923 6.892 1330 HA TYR 77 HA TYR 77 8.952 -2.849 8.352 1331 1HB TYR 77 2HB TYR 77 7.708 -4.866 8.580 1332 2HB TYR 77 1HB TYR 77 9.162 -5.812 8.880 1333 HD1 TYR 77 1HD TYR 77 6.538 -3.833 10.353 1334 HD2 TYR 77 2HD TYR 77 10.399 -5.481 11.053 1335 HE1 TYR 77 1HE TYR 77 6.218 -3.540 12.773 1336 HE2 TYR 77 2HE TYR 77 10.089 -5.192 13.475 1337 HH TYR 77 HH TYR 77 7.559 -4.979 14.994 1338 H LEU 78 H LEU 78 10.470 -1.532 9.159 1339 HA LEU 78 HA LEU 78 13.074 -2.383 9.911 1340 1HB LEU 78 2HB LEU 78 11.536 0.156 10.410 1341 2HB LEU 78 1HB LEU 78 13.182 -0.078 10.965 1342 HG LEU 78 HG LEU 78 12.879 1.211 8.799 1343 1HD1 LEU 78 1HD1 LEU 78 15.058 0.634 9.111 1344 2HD1 LEU 78 2HD1 LEU 78 14.713 -0.316 7.666 1345 3HD1 LEU 78 3HD1 LEU 78 14.702 -1.086 9.251 1346 1HD2 LEU 78 1HD2 LEU 78 12.666 -0.212 6.766 1347 2HD2 LEU 78 2HD2 LEU 78 11.190 -0.108 7.726 1348 3HD2 LEU 78 3HD2 LEU 78 12.196 -1.553 7.812 1349 H GLY 79 H GLY 79 13.926 -1.819 12.179 1350 1HA GLY 79 2HA GLY 79 13.324 -3.540 14.070 1351 2HA GLY 79 1HA GLY 79 13.693 -1.882 14.516 1352 H GLN 80 H GLN 80 11.277 -0.749 13.406 1353 HA GLN 80 HA GLN 80 9.042 -2.052 14.660 1354 1HB GLN 80 2HB GLN 80 8.744 0.279 15.993 1355 2HB GLN 80 1HB GLN 80 9.460 -1.163 16.699 1356 1HG GLN 80 2HG GLN 80 11.112 0.251 17.242 1357 2HG GLN 80 1HG GLN 80 11.642 -0.061 15.590 1358 1HE2 GLN 80 1HE2 GLN 80 12.585 2.154 16.504 1359 2HE2 GLN 80 2HE2 GLN 80 11.735 3.546 15.936 1360 H VAL 81 H VAL 81 9.471 -1.308 12.039 1361 HA VAL 81 HA VAL 81 7.217 0.431 11.598 1362 HB VAL 81 HB VAL 81 9.985 1.274 10.753 1363 1HG1 VAL 81 1HG1 VAL 81 8.599 3.225 9.710 1364 2HG1 VAL 81 2HG1 VAL 81 7.313 2.021 9.650 1365 3HG1 VAL 81 3HG1 VAL 81 8.834 1.728 8.808 1366 1HG2 VAL 81 1HG2 VAL 81 7.887 2.380 12.571 1367 2HG2 VAL 81 2HG2 VAL 81 9.049 3.459 11.798 1368 3HG2 VAL 81 3HG2 VAL 81 9.614 2.163 12.854 1369 H ALA 82 H ALA 82 6.773 0.668 9.213 1370 HA ALA 82 HA ALA 82 7.908 -1.491 7.594 1371 1HB ALA 82 1HB ALA 82 5.142 -1.350 8.594 1372 2HB ALA 82 2HB ALA 82 6.099 -2.742 8.088 1373 3HB ALA 82 3HB ALA 82 5.315 -1.725 6.879 1374 H ILE 83 H ILE 83 8.826 -0.206 6.088 1375 HA ILE 83 HA ILE 83 7.422 2.089 5.026 1376 HB ILE 83 HB ILE 83 9.865 1.192 3.646 1377 1HG1 ILE 83 2HG1 ILE 83 10.254 0.536 6.055 1378 2HG1 ILE 83 1HG1 ILE 83 11.393 1.715 5.413 1379 1HG2 ILE 83 1HG2 ILE 83 8.483 3.653 4.380 1380 2HG2 ILE 83 2HG2 ILE 83 9.531 3.306 3.005 1381 3HG2 ILE 83 3HG2 ILE 83 10.234 3.748 4.561 1382 1HD1 ILE 83 1HD1 ILE 83 9.413 3.281 6.506 1383 2HD1 ILE 83 2HD1 ILE 83 10.966 2.892 7.246 1384 3HD1 ILE 83 3HD1 ILE 83 9.539 1.930 7.631 1385 H LEU 84 H LEU 84 6.829 2.384 2.856 1386 HA LEU 84 HA LEU 84 6.694 -0.030 1.192 1387 1HB LEU 84 2HB LEU 84 4.531 -0.089 1.977 1388 2HB LEU 84 1HB LEU 84 4.439 1.649 2.175 1389 HG LEU 84 HG LEU 84 4.528 1.629 -0.463 1390 1HD1 LEU 84 1HD1 LEU 84 3.983 -1.168 0.280 1391 2HD1 LEU 84 2HD1 LEU 84 4.675 -0.496 -1.197 1392 3HD1 LEU 84 3HD1 LEU 84 2.928 -0.477 -0.952 1393 1HD2 LEU 84 1HD2 LEU 84 2.406 2.312 -0.293 1394 2HD2 LEU 84 2HD2 LEU 84 2.588 2.012 1.435 1395 3HD2 LEU 84 3HD2 LEU 84 1.873 0.779 0.397 1396 H LEU 85 H LEU 85 8.395 0.917 -0.034 1397 HA LEU 85 HA LEU 85 7.892 3.456 -1.355 1398 1HB LEU 85 2HB LEU 85 10.191 1.919 -0.686 1399 2HB LEU 85 1HB LEU 85 10.167 2.117 -2.428 1400 HG LEU 85 HG LEU 85 9.789 4.631 -1.903 1401 1HD1 LEU 85 1HD1 LEU 85 10.206 5.428 0.174 1402 2HD1 LEU 85 2HD1 LEU 85 11.343 4.136 0.562 1403 3HD1 LEU 85 3HD1 LEU 85 9.607 3.835 0.638 1404 1HD2 LEU 85 1HD2 LEU 85 12.208 2.984 -1.974 1405 2HD2 LEU 85 2HD2 LEU 85 12.435 4.580 -1.260 1406 3HD2 LEU 85 3HD2 LEU 85 11.788 4.430 -2.894 1407 H PHE 86 H PHE 86 7.346 3.733 -3.454 1408 HA PHE 86 HA PHE 86 7.597 1.760 -5.455 1409 1HB PHE 86 2HB PHE 86 5.676 0.601 -5.388 1410 2HB PHE 86 1HB PHE 86 5.447 1.264 -3.776 1411 HD1 PHE 86 1HD PHE 86 4.609 1.739 -7.343 1412 HD2 PHE 86 2HD PHE 86 3.685 2.754 -3.316 1413 HE1 PHE 86 1HE PHE 86 2.527 2.811 -8.096 1414 HE2 PHE 86 2HE PHE 86 1.600 3.828 -4.061 1415 HZ PHE 86 HZ PHE 86 1.019 3.857 -6.455 1416 H LYS 87 H LYS 87 7.773 2.827 -7.297 1417 HA LYS 87 HA LYS 87 6.722 5.554 -7.467 1418 1HB LYS 87 2HB LYS 87 8.605 4.145 -9.361 1419 2HB LYS 87 1HB LYS 87 8.255 5.866 -9.302 1420 1HG LYS 87 2HG LYS 87 9.343 6.062 -7.163 1421 2HG LYS 87 1HG LYS 87 9.592 4.316 -7.094 1422 1HD LYS 87 2HD LYS 87 11.652 5.151 -7.811 1423 2HD LYS 87 1HD LYS 87 10.872 4.616 -9.300 1424 1HE LYS 87 2HE LYS 87 10.078 7.286 -8.868 1425 2HE LYS 87 1HE LYS 87 11.817 7.220 -8.594 1426 1HZ LYS 87 1HZ LYS 87 10.681 7.474 -11.000 1427 2HZ LYS 87 2HZ LYS 87 10.896 5.797 -10.937 1428 3HZ LYS 87 3HZ LYS 87 12.225 6.826 -10.747 1429 H SER 88 H SER 88 5.494 6.269 -9.233 1430 HA SER 88 HA SER 88 4.084 4.116 -10.656 1431 1HB SER 88 2HB SER 88 3.184 6.553 -9.323 1432 2HB SER 88 1HB SER 88 2.543 6.387 -10.956 1433 HG SER 88 HG SER 88 1.508 5.293 -8.937 1434 H GLY 89 H GLY 89 6.594 5.614 -11.291 1435 1HA GLY 89 2HA GLY 89 7.345 5.694 -13.609 1436 2HA GLY 89 1HA GLY 89 5.807 6.441 -14.013 Start of MODEL 4 1 1H MET 1 1HT MET 1 -22.479 12.477 7.507 2 2H MET 1 2HT MET 1 -24.129 12.435 7.980 3 3H MET 1 3HT MET 1 -23.692 12.135 6.347 4 HA MET 1 HA MET 1 -22.255 10.374 7.885 5 1HB MET 1 2HB MET 1 -25.092 10.815 8.763 6 2HB MET 1 1HB MET 1 -24.384 9.207 8.849 7 1HG MET 1 2HG MET 1 -22.583 11.111 9.993 8 2HG MET 1 1HG MET 1 -24.181 11.295 10.712 9 1HE MET 1 1HE MET 1 -25.099 9.578 12.630 10 2HE MET 1 2HE MET 1 -24.918 7.863 12.258 11 3HE MET 1 3HE MET 1 -25.591 8.962 11.053 12 H CYS 2 H CYS 2 -21.871 9.900 5.656 13 HA CYS 2 HA CYS 2 -24.043 8.349 4.409 14 1HB CYS 2 2HB CYS 2 -22.039 9.308 2.530 15 2HB CYS 2 1HB CYS 2 -23.792 9.433 2.459 16 HG CYS 2 HG CYS 2 -23.364 11.561 4.173 17 H ASP 3 H ASP 3 -23.111 6.546 5.619 18 HA ASP 3 HA ASP 3 -21.681 4.780 5.938 19 1HB ASP 3 2HB ASP 3 -21.643 4.953 2.917 20 2HB ASP 3 1HB ASP 3 -21.239 3.530 3.873 21 H ARG 4 H ARG 4 -20.356 7.362 6.012 22 HA ARG 4 HA ARG 4 -17.817 6.976 4.662 23 1HB ARG 4 2HB ARG 4 -18.496 9.112 6.684 24 2HB ARG 4 1HB ARG 4 -17.220 9.140 5.475 25 1HG ARG 4 2HG ARG 4 -19.600 8.783 4.050 26 2HG ARG 4 1HG ARG 4 -19.945 10.009 5.271 27 1HD ARG 4 2HD ARG 4 -17.416 10.213 3.713 28 2HD ARG 4 1HD ARG 4 -18.930 10.656 2.926 29 HE ARG 4 HE ARG 4 -19.218 12.198 4.921 30 1HH1 ARG 4 1HH1 ARG 4 -16.108 11.277 3.657 31 2HH1 ARG 4 2HH1 ARG 4 -15.317 12.722 4.190 32 1HH2 ARG 4 1HH2 ARG 4 -18.186 14.105 5.634 33 2HH2 ARG 4 2HH2 ARG 4 -16.498 14.330 5.316 34 H LYS 5 H LYS 5 -18.977 7.193 8.016 35 HA LYS 5 HA LYS 5 -17.851 6.766 9.993 36 1HB LYS 5 2HB LYS 5 -18.795 4.552 8.743 37 2HB LYS 5 1HB LYS 5 -17.109 4.103 8.960 38 1HG LYS 5 2HG LYS 5 -17.935 5.185 11.409 39 2HG LYS 5 1HG LYS 5 -19.242 4.130 10.869 40 1HD LYS 5 2HD LYS 5 -17.817 2.257 10.745 41 2HD LYS 5 1HD LYS 5 -16.366 3.257 10.846 42 1HE LYS 5 2HE LYS 5 -17.613 3.922 13.158 43 2HE LYS 5 1HE LYS 5 -18.124 2.244 12.975 44 1HZ LYS 5 1HZ LYS 5 -15.431 3.332 13.379 45 2HZ LYS 5 2HZ LYS 5 -15.595 1.897 12.499 46 3HZ LYS 5 3HZ LYS 5 -16.164 1.982 14.088 47 H ALA 6 H ALA 6 -16.094 7.981 8.020 48 HA ALA 6 HA ALA 6 -13.544 6.858 8.958 49 1HB ALA 6 1HB ALA 6 -13.758 8.195 6.291 50 2HB ALA 6 2HB ALA 6 -14.145 6.484 6.473 51 3HB ALA 6 3HB ALA 6 -12.533 7.073 6.884 52 H VAL 7 H VAL 7 -11.821 8.712 8.017 53 HA VAL 7 HA VAL 7 -12.756 11.352 8.808 54 HB VAL 7 HB VAL 7 -10.350 10.146 10.169 55 1HG1 VAL 7 1HG1 VAL 7 -9.969 12.332 10.507 56 2HG1 VAL 7 2HG1 VAL 7 -11.248 12.201 11.714 57 3HG1 VAL 7 3HG1 VAL 7 -11.621 12.785 10.092 58 1HG2 VAL 7 1HG2 VAL 7 -13.226 10.134 10.946 59 2HG2 VAL 7 2HG2 VAL 7 -12.006 10.339 12.203 60 3HG2 VAL 7 3HG2 VAL 7 -11.988 8.900 11.183 61 H ILE 8 H ILE 8 -12.312 11.434 6.423 62 HA ILE 8 HA ILE 8 -9.946 11.099 5.149 63 HB ILE 8 HB ILE 8 -12.233 12.880 4.759 64 1HG1 ILE 8 2HG1 ILE 8 -11.443 12.250 2.301 65 2HG1 ILE 8 1HG1 ILE 8 -10.494 11.053 3.175 66 1HG2 ILE 8 1HG2 ILE 8 -11.343 14.714 3.838 67 2HG2 ILE 8 2HG2 ILE 8 -10.109 13.788 2.982 68 3HG2 ILE 8 3HG2 ILE 8 -9.853 14.254 4.664 69 1HD1 ILE 8 1HD1 ILE 8 -13.277 11.168 4.023 70 2HD1 ILE 8 2HD1 ILE 8 -12.274 9.785 3.582 71 3HD1 ILE 8 3HD1 ILE 8 -13.065 10.739 2.326 72 H LYS 9 H LYS 9 -7.979 12.005 5.079 73 HA LYS 9 HA LYS 9 -7.457 14.217 6.956 74 1HB LYS 9 2HB LYS 9 -5.478 12.138 6.010 75 2HB LYS 9 1HB LYS 9 -5.240 13.330 7.281 76 1HG LYS 9 2HG LYS 9 -7.499 11.448 7.607 77 2HG LYS 9 1HG LYS 9 -5.867 10.798 7.782 78 1HD LYS 9 2HD LYS 9 -6.277 11.448 9.940 79 2HD LYS 9 1HD LYS 9 -5.550 12.926 9.305 80 1HE LYS 9 2HE LYS 9 -8.008 13.551 8.713 81 2HE LYS 9 1HE LYS 9 -8.415 12.332 9.920 82 1HZ LYS 9 1HZ LYS 9 -8.323 14.318 11.100 83 2HZ LYS 9 2HZ LYS 9 -6.942 14.866 10.291 84 3HZ LYS 9 3HZ LYS 9 -6.819 13.609 11.417 85 H ASN 10 H ASN 10 -7.345 13.175 3.718 86 HA ASN 10 HA ASN 10 -6.676 15.703 2.701 87 1HB ASN 10 2HB ASN 10 -4.420 14.012 3.358 88 2HB ASN 10 1HB ASN 10 -4.480 14.314 1.625 89 1HD2 ASN 10 1HD2 ASN 10 -3.376 16.011 1.007 90 2HD2 ASN 10 2HD2 ASN 10 -3.084 17.439 1.934 91 H ALA 11 H ALA 11 -6.615 15.685 0.320 92 HA ALA 11 HA ALA 11 -6.776 13.491 -1.309 93 1HB ALA 11 1HB ALA 11 -8.834 13.206 0.378 94 2HB ALA 11 2HB ALA 11 -8.856 12.614 -1.283 95 3HB ALA 11 3HB ALA 11 -9.620 14.154 -0.884 96 H ASP 12 H ASP 12 -6.970 14.086 -3.405 97 HA ASP 12 HA ASP 12 -7.981 16.790 -3.960 98 1HB ASP 12 2HB ASP 12 -5.344 15.988 -4.203 99 2HB ASP 12 1HB ASP 12 -5.962 15.828 -5.844 100 H MET 13 H MET 13 -9.311 14.196 -4.089 101 HA MET 13 HA MET 13 -9.732 13.893 -6.980 102 1HB MET 13 2HB MET 13 -9.224 11.797 -5.983 103 2HB MET 13 1HB MET 13 -10.313 12.092 -4.634 104 1HG MET 13 2HG MET 13 -12.171 11.528 -5.823 105 2HG MET 13 1HG MET 13 -11.467 12.010 -7.366 106 1HE MET 13 1HE MET 13 -9.580 9.395 -4.813 107 2HE MET 13 2HE MET 13 -10.724 8.088 -5.112 108 3HE MET 13 3HE MET 13 -11.289 9.618 -4.441 109 H SER 14 H SER 14 -12.075 13.300 -7.548 110 HA SER 14 HA SER 14 -13.729 15.482 -7.040 111 1HB SER 14 2HB SER 14 -13.956 13.931 -8.980 112 2HB SER 14 1HB SER 14 -14.614 12.713 -7.887 113 HG SER 14 HG SER 14 -16.463 13.648 -8.154 114 H GLU 15 H GLU 15 -15.076 16.005 -5.439 115 HA GLU 15 HA GLU 15 -15.094 15.028 -2.947 116 1HB GLU 15 2HB GLU 15 -17.466 16.123 -4.463 117 2HB GLU 15 1HB GLU 15 -17.463 15.862 -2.723 118 1HG GLU 15 2HG GLU 15 -15.149 17.368 -3.465 119 2HG GLU 15 1HG GLU 15 -16.592 18.124 -4.140 120 H GLU 16 H GLU 16 -17.759 14.143 -5.147 121 HA GLU 16 HA GLU 16 -18.838 12.096 -3.671 122 1HB GLU 16 2HB GLU 16 -19.311 11.115 -6.106 123 2HB GLU 16 1HB GLU 16 -20.150 12.530 -5.485 124 1HG GLU 16 2HG GLU 16 -18.894 13.998 -6.776 125 2HG GLU 16 1HG GLU 16 -17.618 12.813 -7.050 126 H MET 17 H MET 17 -15.928 12.080 -5.583 127 HA MET 17 HA MET 17 -15.622 9.235 -5.643 128 1HB MET 17 2HB MET 17 -13.926 11.584 -6.366 129 2HB MET 17 1HB MET 17 -13.141 10.028 -6.139 130 1HG MET 17 2HG MET 17 -15.455 9.697 -7.783 131 2HG MET 17 1HG MET 17 -14.449 10.994 -8.424 132 1HE MET 17 1HE MET 17 -12.872 7.519 -6.617 133 2HE MET 17 2HE MET 17 -13.514 6.580 -7.966 134 3HE MET 17 3HE MET 17 -14.597 7.567 -6.982 135 H GLN 18 H GLN 18 -14.658 11.815 -3.488 136 HA GLN 18 HA GLN 18 -12.782 10.269 -1.986 137 1HB GLN 18 2HB GLN 18 -13.935 12.408 -0.441 138 2HB GLN 18 1HB GLN 18 -12.300 12.249 -1.065 139 1HG GLN 18 2HG GLN 18 -14.137 12.956 -3.166 140 2HG GLN 18 1HG GLN 18 -14.229 14.101 -1.828 141 1HE2 GLN 18 1HE2 GLN 18 -11.678 12.288 -3.508 142 2HE2 GLN 18 2HE2 GLN 18 -10.625 13.640 -3.727 143 H GLN 19 H GLN 19 -16.203 11.037 -1.675 144 HA GLN 19 HA GLN 19 -16.478 9.711 0.859 145 1HB GLN 19 2HB GLN 19 -18.470 10.802 -1.128 146 2HB GLN 19 1HB GLN 19 -18.960 9.969 0.342 147 1HG GLN 19 2HG GLN 19 -17.838 11.643 1.692 148 2HG GLN 19 1HG GLN 19 -17.278 12.461 0.234 149 1HE2 GLN 19 1HE2 GLN 19 -18.727 13.784 2.155 150 2HE2 GLN 19 2HE2 GLN 19 -20.285 14.187 1.527 151 H ASP 20 H ASP 20 -16.908 8.935 -2.522 152 HA ASP 20 HA ASP 20 -18.222 6.442 -2.099 153 1HB ASP 20 2HB ASP 20 -17.038 7.886 -4.407 154 2HB ASP 20 1HB ASP 20 -17.134 6.133 -4.548 155 H SER 21 H SER 21 -14.903 7.517 -2.429 156 HA SER 21 HA SER 21 -13.697 4.976 -2.654 157 1HB SER 21 2HB SER 21 -11.711 6.105 -2.609 158 2HB SER 21 1HB SER 21 -12.760 7.501 -2.863 159 HG SER 21 HG SER 21 -12.358 6.700 -0.234 160 H VAL 22 H VAL 22 -14.246 7.104 0.137 161 HA VAL 22 HA VAL 22 -13.160 5.483 2.117 162 HB VAL 22 HB VAL 22 -15.639 7.163 2.485 163 1HG1 VAL 22 1HG1 VAL 22 -14.428 7.547 4.728 164 2HG1 VAL 22 2HG1 VAL 22 -13.497 6.113 4.294 165 3HG1 VAL 22 3HG1 VAL 22 -15.250 6.008 4.463 166 1HG2 VAL 22 1HG2 VAL 22 -14.501 9.015 2.033 167 2HG2 VAL 22 2HG2 VAL 22 -13.141 8.024 1.504 168 3HG2 VAL 22 3HG2 VAL 22 -13.244 8.557 3.183 169 H GLU 23 H GLU 23 -16.445 5.550 0.786 170 HA GLU 23 HA GLU 23 -17.619 3.644 2.439 171 1HB GLU 23 2HB GLU 23 -18.150 4.310 -0.458 172 2HB GLU 23 1HB GLU 23 -19.172 3.243 0.495 173 1HG GLU 23 2HG GLU 23 -19.186 5.330 2.126 174 2HG GLU 23 1HG GLU 23 -18.853 6.186 0.621 175 H CYS 24 H CYS 24 -15.726 3.252 -0.517 176 HA CYS 24 HA CYS 24 -16.078 0.468 -0.793 177 1HB CYS 24 2HB CYS 24 -14.960 2.297 -2.372 178 2HB CYS 24 1HB CYS 24 -13.490 1.727 -1.591 179 HG CYS 24 HG CYS 24 -13.911 -0.620 -2.599 180 H ALA 25 H ALA 25 -13.762 2.419 1.008 181 HA ALA 25 HA ALA 25 -12.150 0.232 1.870 182 1HB ALA 25 1HB ALA 25 -12.450 3.092 2.713 183 2HB ALA 25 2HB ALA 25 -11.045 2.271 2.033 184 3HB ALA 25 3HB ALA 25 -11.519 1.969 3.705 185 H THR 26 H THR 26 -15.047 1.802 2.893 186 HA THR 26 HA THR 26 -15.218 0.645 5.486 187 HB THR 26 HB THR 26 -17.669 1.421 3.979 188 HG1 THR 26 1HG THR 26 -15.982 3.431 4.985 189 1HG2 THR 26 1HG2 THR 26 -16.847 2.538 6.603 190 2HG2 THR 26 2HG2 THR 26 -17.422 0.873 6.513 191 3HG2 THR 26 3HG2 THR 26 -18.458 2.195 5.972 192 H GLN 27 H GLN 27 -16.304 -0.210 2.262 193 HA GLN 27 HA GLN 27 -17.992 -2.347 2.915 194 1HB GLN 27 2HB GLN 27 -16.239 -1.997 0.474 195 2HB GLN 27 1HB GLN 27 -17.577 -3.130 0.610 196 1HG GLN 27 2HG GLN 27 -19.082 -1.172 0.993 197 2HG GLN 27 1HG GLN 27 -17.714 -0.127 0.611 198 1HE2 GLN 27 1HE2 GLN 27 -18.447 -3.210 -0.897 199 2HE2 GLN 27 2HE2 GLN 27 -18.782 -2.575 -2.468 200 H ALA 28 H ALA 28 -14.520 -2.148 2.376 201 HA ALA 28 HA ALA 28 -14.126 -4.979 2.851 202 1HB ALA 28 1HB ALA 28 -12.227 -2.695 2.364 203 2HB ALA 28 2HB ALA 28 -12.652 -4.011 1.269 204 3HB ALA 28 3HB ALA 28 -11.688 -4.338 2.708 205 H LEU 29 H LEU 29 -14.191 -2.063 4.677 206 HA LEU 29 HA LEU 29 -12.612 -2.987 6.878 207 1HB LEU 29 2HB LEU 29 -14.403 -0.641 6.406 208 2HB LEU 29 1HB LEU 29 -13.826 -1.000 8.024 209 HG LEU 29 HG LEU 29 -11.788 -0.881 5.877 210 1HD1 LEU 29 1HD1 LEU 29 -11.664 1.561 6.049 211 2HD1 LEU 29 2HD1 LEU 29 -13.167 1.558 6.972 212 3HD1 LEU 29 3HD1 LEU 29 -13.160 1.011 5.295 213 1HD2 LEU 29 1HD2 LEU 29 -10.800 -1.258 7.904 214 2HD2 LEU 29 2HD2 LEU 29 -12.012 -0.335 8.793 215 3HD2 LEU 29 3HD2 LEU 29 -10.765 0.506 7.871 216 H GLU 30 H GLU 30 -16.027 -2.913 6.069 217 HA GLU 30 HA GLU 30 -16.790 -3.967 8.667 218 1HB GLU 30 2HB GLU 30 -18.137 -2.646 6.449 219 2HB GLU 30 1HB GLU 30 -19.032 -4.045 7.026 220 1HG GLU 30 2HG GLU 30 -19.014 -3.141 9.285 221 2HG GLU 30 1HG GLU 30 -18.086 -1.749 8.727 222 H LYS 31 H LYS 31 -16.285 -5.057 5.396 223 HA LYS 31 HA LYS 31 -17.527 -7.629 5.853 224 1HB LYS 31 2HB LYS 31 -16.297 -6.218 3.559 225 2HB LYS 31 1HB LYS 31 -16.169 -7.973 3.546 226 1HG LYS 31 2HG LYS 31 -18.366 -8.263 3.156 227 2HG LYS 31 1HG LYS 31 -18.837 -6.893 4.164 228 1HD LYS 31 2HD LYS 31 -18.068 -5.364 2.380 229 2HD LYS 31 1HD LYS 31 -17.704 -6.765 1.370 230 1HE LYS 31 2HE LYS 31 -20.024 -7.412 1.351 231 2HE LYS 31 1HE LYS 31 -20.428 -6.131 2.494 232 1HZ LYS 31 1HZ LYS 31 -20.044 -4.490 0.891 233 2HZ LYS 31 2HZ LYS 31 -20.903 -5.690 0.063 234 3HZ LYS 31 3HZ LYS 31 -19.231 -5.550 -0.148 235 H TYR 32 H TYR 32 -14.451 -6.186 6.246 236 HA TYR 32 HA TYR 32 -13.362 -8.721 7.175 237 1HB TYR 32 2HB TYR 32 -11.533 -7.079 5.488 238 2HB TYR 32 1HB TYR 32 -11.541 -8.817 5.771 239 HD1 TYR 32 1HD TYR 32 -13.620 -6.177 4.137 240 HD2 TYR 32 2HD TYR 32 -12.239 -10.200 4.052 241 HE1 TYR 32 1HE TYR 32 -14.740 -6.508 1.976 242 HE2 TYR 32 2HE TYR 32 -13.356 -10.542 1.890 243 HH TYR 32 HH TYR 32 -15.560 -8.230 0.573 244 H ASN 33 H ASN 33 -10.846 -8.034 7.802 245 HA ASN 33 HA ASN 33 -10.741 -5.443 9.061 246 1HB ASN 33 2HB ASN 33 -10.201 -7.447 11.104 247 2HB ASN 33 1HB ASN 33 -11.201 -5.999 11.190 248 1HD2 ASN 33 1HD2 ASN 33 -11.155 -9.346 10.105 249 2HD2 ASN 33 2HD2 ASN 33 -12.854 -9.614 10.270 250 H ILE 34 H ILE 34 -9.274 -7.069 7.118 251 HA ILE 34 HA ILE 34 -6.659 -7.219 8.470 252 HB ILE 34 HB ILE 34 -7.367 -8.576 5.877 253 1HG1 ILE 34 2HG1 ILE 34 -8.837 -9.514 7.534 254 2HG1 ILE 34 1HG1 ILE 34 -7.541 -10.667 7.231 255 1HG2 ILE 34 1HG2 ILE 34 -5.303 -9.496 5.921 256 2HG2 ILE 34 2HG2 ILE 34 -5.270 -9.599 7.682 257 3HG2 ILE 34 3HG2 ILE 34 -4.937 -8.064 6.882 258 1HD1 ILE 34 1HD1 ILE 34 -6.687 -10.455 9.305 259 2HD1 ILE 34 2HD1 ILE 34 -8.353 -10.006 9.669 260 3HD1 ILE 34 3HD1 ILE 34 -7.132 -8.754 9.437 261 H GLU 35 H GLU 35 -5.700 -5.301 8.126 262 HA GLU 35 HA GLU 35 -5.972 -3.306 6.468 263 1HB GLU 35 2HB GLU 35 -3.224 -4.525 6.681 264 2HB GLU 35 1HB GLU 35 -3.642 -2.824 6.530 265 1HG GLU 35 2HG GLU 35 -3.502 -2.676 8.731 266 2HG GLU 35 1HG GLU 35 -4.950 -3.677 8.831 267 H LYS 36 H LYS 36 -3.559 -5.641 5.320 268 HA LYS 36 HA LYS 36 -3.523 -4.922 2.691 269 1HB LYS 36 2HB LYS 36 -3.403 -7.835 3.075 270 2HB LYS 36 1HB LYS 36 -2.213 -6.739 2.388 271 1HG LYS 36 2HG LYS 36 -1.068 -6.629 4.292 272 2HG LYS 36 1HG LYS 36 -2.528 -6.382 5.251 273 1HD LYS 36 2HD LYS 36 -2.844 -8.635 5.599 274 2HD LYS 36 1HD LYS 36 -1.960 -9.091 4.141 275 1HE LYS 36 2HE LYS 36 0.060 -9.013 5.174 276 2HE LYS 36 1HE LYS 36 -0.423 -7.706 6.256 277 1HZ LYS 36 1HZ LYS 36 -0.794 -9.189 7.837 278 2HZ LYS 36 2HZ LYS 36 -0.299 -10.438 6.809 279 3HZ LYS 36 3HZ LYS 36 -1.929 -9.992 6.871 280 H ASP 37 H ASP 37 -5.721 -7.276 4.195 281 HA ASP 37 HA ASP 37 -7.038 -8.127 1.887 282 1HB ASP 37 2HB ASP 37 -7.273 -8.570 4.641 283 2HB ASP 37 1HB ASP 37 -8.844 -7.946 4.147 284 H ILE 38 H ILE 38 -8.185 -5.694 4.235 285 HA ILE 38 HA ILE 38 -10.389 -4.796 2.846 286 HB ILE 38 HB ILE 38 -8.559 -3.042 4.489 287 1HG1 ILE 38 2HG1 ILE 38 -10.947 -4.197 5.761 288 2HG1 ILE 38 1HG1 ILE 38 -9.708 -5.378 5.348 289 1HG2 ILE 38 1HG2 ILE 38 -11.486 -2.693 4.522 290 2HG2 ILE 38 2HG2 ILE 38 -10.668 -2.258 3.021 291 3HG2 ILE 38 3HG2 ILE 38 -10.195 -1.490 4.537 292 1HD1 ILE 38 1HD1 ILE 38 -9.802 -3.559 7.536 293 2HD1 ILE 38 2HD1 ILE 38 -8.384 -3.207 6.548 294 3HD1 ILE 38 3HD1 ILE 38 -8.628 -4.830 7.193 295 H ALA 39 H ALA 39 -7.113 -3.380 2.771 296 HA ALA 39 HA ALA 39 -7.566 -1.409 0.881 297 1HB ALA 39 1HB ALA 39 -5.319 -2.544 2.172 298 2HB ALA 39 2HB ALA 39 -5.425 -1.011 1.308 299 3HB ALA 39 3HB ALA 39 -4.962 -2.478 0.447 300 H ALA 40 H ALA 40 -6.802 -4.824 0.409 301 HA ALA 40 HA ALA 40 -6.308 -4.827 -2.326 302 1HB ALA 40 1HB ALA 40 -5.982 -6.756 -0.801 303 2HB ALA 40 2HB ALA 40 -6.828 -7.174 -2.291 304 3HB ALA 40 3HB ALA 40 -7.730 -6.993 -0.786 305 H HIS 41 H HIS 41 -9.397 -5.718 -0.780 306 HA HIS 41 HA HIS 41 -10.933 -5.792 -3.089 307 1HB HIS 41 2HB HIS 41 -12.259 -4.765 -0.641 308 2HB HIS 41 1HB HIS 41 -12.724 -6.090 -1.703 309 HD1 HIS 41 1HD HIS 41 -12.580 -6.187 1.478 310 HD2 HIS 41 2HD HIS 41 -9.766 -7.719 -1.167 311 HE1 HIS 41 1HE HIS 41 -11.358 -7.975 2.756 312 HE2 HIS 41 2HE HIS 41 -9.602 -8.828 1.163 313 H ILE 42 H ILE 42 -10.446 -3.083 -0.845 314 HA ILE 42 HA ILE 42 -12.072 -1.172 -1.890 315 HB ILE 42 HB ILE 42 -9.227 -0.751 -0.966 316 1HG1 ILE 42 2HG1 ILE 42 -11.847 -0.564 0.540 317 2HG1 ILE 42 1HG1 ILE 42 -10.682 -1.877 0.684 318 1HG2 ILE 42 1HG2 ILE 42 -11.449 1.141 -1.599 319 2HG2 ILE 42 2HG2 ILE 42 -9.735 1.248 -2.001 320 3HG2 ILE 42 3HG2 ILE 42 -10.274 1.546 -0.349 321 1HD1 ILE 42 1HD1 ILE 42 -10.145 0.999 1.380 322 2HD1 ILE 42 2HD1 ILE 42 -9.040 -0.357 1.597 323 3HD1 ILE 42 3HD1 ILE 42 -10.533 -0.279 2.530 324 H LYS 43 H LYS 43 -8.683 -1.643 -2.923 325 HA LYS 43 HA LYS 43 -8.792 0.131 -5.088 326 1HB LYS 43 2HB LYS 43 -6.663 -0.586 -4.239 327 2HB LYS 43 1HB LYS 43 -7.032 -2.270 -4.585 328 1HG LYS 43 2HG LYS 43 -7.044 -0.348 -6.848 329 2HG LYS 43 1HG LYS 43 -5.490 -0.827 -6.163 330 1HD LYS 43 2HD LYS 43 -7.233 -3.106 -6.554 331 2HD LYS 43 1HD LYS 43 -6.977 -2.216 -8.057 332 1HE LYS 43 2HE LYS 43 -4.459 -2.297 -6.990 333 2HE LYS 43 1HE LYS 43 -5.121 -3.856 -6.497 334 1HZ LYS 43 1HZ LYS 43 -4.501 -2.860 -9.166 335 2HZ LYS 43 2HZ LYS 43 -5.874 -3.835 -9.023 336 3HZ LYS 43 3HZ LYS 43 -4.366 -4.424 -8.535 337 H LYS 44 H LYS 44 -8.815 -3.436 -5.211 338 HA LYS 44 HA LYS 44 -9.276 -3.944 -7.797 339 1HB LYS 44 2HB LYS 44 -10.222 -5.206 -5.303 340 2HB LYS 44 1HB LYS 44 -11.105 -5.655 -6.755 341 1HG LYS 44 2HG LYS 44 -9.221 -6.598 -7.755 342 2HG LYS 44 1HG LYS 44 -8.114 -5.769 -6.659 343 1HD LYS 44 2HD LYS 44 -8.227 -7.422 -5.164 344 2HD LYS 44 1HD LYS 44 -9.990 -7.449 -5.227 345 1HE LYS 44 2HE LYS 44 -9.770 -8.727 -7.393 346 2HE LYS 44 1HE LYS 44 -8.051 -8.880 -7.031 347 1HZ LYS 44 1HZ LYS 44 -10.297 -10.283 -5.902 348 2HZ LYS 44 2HZ LYS 44 -9.217 -9.698 -4.739 349 3HZ LYS 44 3HZ LYS 44 -8.664 -10.724 -5.964 350 H GLU 45 H GLU 45 -12.044 -3.554 -5.598 351 HA GLU 45 HA GLU 45 -14.033 -3.371 -7.482 352 1HB GLU 45 2HB GLU 45 -13.803 -1.975 -4.816 353 2HB GLU 45 1HB GLU 45 -15.277 -1.994 -5.775 354 1HG GLU 45 2HG GLU 45 -14.188 -4.652 -5.387 355 2HG GLU 45 1HG GLU 45 -14.532 -3.835 -3.863 356 H PHE 46 H PHE 46 -11.978 -0.770 -6.248 357 HA PHE 46 HA PHE 46 -13.239 1.360 -7.571 358 1HB PHE 46 2HB PHE 46 -10.836 0.944 -6.036 359 2HB PHE 46 1HB PHE 46 -10.497 1.974 -7.422 360 HD1 PHE 46 1HD PHE 46 -11.180 4.214 -7.463 361 HD2 PHE 46 2HD PHE 46 -12.661 1.602 -4.449 362 HE1 PHE 46 1HE PHE 46 -12.128 6.143 -6.265 363 HE2 PHE 46 2HE PHE 46 -13.611 3.525 -3.245 364 HZ PHE 46 HZ PHE 46 -13.346 5.801 -4.151 365 H ASP 47 H ASP 47 -10.586 -0.761 -8.568 366 HA ASP 47 HA ASP 47 -10.020 0.567 -10.992 367 1HB ASP 47 2HB ASP 47 -8.386 -0.969 -11.185 368 2HB ASP 47 1HB ASP 47 -8.881 -1.505 -9.584 369 H LYS 48 H LYS 48 -12.508 -1.637 -10.060 370 HA LYS 48 HA LYS 48 -13.341 -1.879 -12.872 371 1HB LYS 48 2HB LYS 48 -13.433 -3.771 -10.586 372 2HB LYS 48 1HB LYS 48 -14.794 -3.801 -11.698 373 1HG LYS 48 2HG LYS 48 -11.926 -4.053 -12.568 374 2HG LYS 48 1HG LYS 48 -12.973 -5.428 -12.210 375 1HD LYS 48 2HD LYS 48 -13.703 -3.309 -14.218 376 2HD LYS 48 1HD LYS 48 -12.787 -4.754 -14.649 377 1HE LYS 48 2HE LYS 48 -15.131 -5.412 -13.091 378 2HE LYS 48 1HE LYS 48 -15.557 -4.493 -14.534 379 1HZ LYS 48 1HZ LYS 48 -13.635 -6.510 -15.115 380 2HZ LYS 48 2HZ LYS 48 -15.156 -6.249 -15.806 381 3HZ LYS 48 3HZ LYS 48 -15.015 -7.179 -14.401 382 H LYS 49 H LYS 49 -13.953 0.041 -10.408 383 HA LYS 49 HA LYS 49 -16.863 0.022 -10.840 384 1HB LYS 49 2HB LYS 49 -15.844 -0.421 -8.471 385 2HB LYS 49 1HB LYS 49 -15.622 1.323 -8.449 386 1HG LYS 49 2HG LYS 49 -18.184 1.229 -9.206 387 2HG LYS 49 1HG LYS 49 -18.095 -0.281 -8.296 388 1HD LYS 49 2HD LYS 49 -17.699 0.785 -6.306 389 2HD LYS 49 1HD LYS 49 -16.923 2.167 -7.079 390 1HE LYS 49 2HE LYS 49 -19.877 1.563 -7.163 391 2HE LYS 49 1HE LYS 49 -19.111 2.728 -6.083 392 1HZ LYS 49 1HZ LYS 49 -18.278 3.298 -8.684 393 2HZ LYS 49 2HZ LYS 49 -19.269 4.232 -7.681 394 3HZ LYS 49 3HZ LYS 49 -19.958 3.101 -8.731 395 H TYR 50 H TYR 50 -14.128 1.642 -11.676 396 HA TYR 50 HA TYR 50 -15.656 4.018 -12.354 397 1HB TYR 50 2HB TYR 50 -13.037 4.332 -10.890 398 2HB TYR 50 1HB TYR 50 -14.183 5.592 -11.333 399 HD1 TYR 50 1HD TYR 50 -13.705 2.652 -9.124 400 HD2 TYR 50 2HD TYR 50 -15.950 6.183 -9.888 401 HE1 TYR 50 1HE TYR 50 -14.784 2.432 -6.926 402 HE2 TYR 50 2HE TYR 50 -17.036 5.975 -7.691 403 HH TYR 50 HH TYR 50 -16.506 3.165 -5.637 404 H ASN 51 H ASN 51 -12.248 2.967 -12.257 405 HA ASN 51 HA ASN 51 -11.813 2.349 -14.861 406 1HB ASN 51 2HB ASN 51 -12.739 4.636 -15.355 407 2HB ASN 51 1HB ASN 51 -11.339 5.319 -14.534 408 1HD2 ASN 51 1HD2 ASN 51 -12.352 3.320 -17.241 409 2HD2 ASN 51 2HD2 ASN 51 -10.973 3.637 -18.230 410 HA PRO 52 HA PRO 52 -8.083 1.653 -12.465 411 1HB PRO 52 2HB PRO 52 -6.757 0.335 -14.491 412 2HB PRO 52 1HB PRO 52 -7.878 -0.429 -13.360 413 1HG PRO 52 2HG PRO 52 -8.360 0.532 -16.149 414 2HG PRO 52 1HG PRO 52 -8.941 -0.944 -15.355 415 1HD PRO 52 2HD PRO 52 -10.535 1.187 -15.687 416 2HD PRO 52 1HD PRO 52 -10.630 0.179 -14.228 417 H THR 53 H THR 53 -5.260 3.432 -13.779 418 HA THR 53 HA THR 53 -6.214 0.996 -12.463 419 HB THR 53 HB THR 53 -3.497 2.067 -13.146 420 HG1 THR 53 1HG THR 53 -4.992 0.302 -14.205 421 1HG2 THR 53 1HG2 THR 53 -4.065 0.045 -11.001 422 2HG2 THR 53 2HG2 THR 53 -3.101 1.517 -10.884 423 3HG2 THR 53 3HG2 THR 53 -2.522 0.158 -11.847 424 H TRP 54 H TRP 54 -6.387 0.835 -10.285 425 HA TRP 54 HA TRP 54 -5.991 3.333 -8.797 426 1HB TRP 54 2HB TRP 54 -7.809 0.987 -8.240 427 2HB TRP 54 1HB TRP 54 -7.621 2.376 -7.172 428 HD1 TRP 54 HD TRP 54 -8.932 1.479 -10.674 429 HE1 TRP 54 1HE TRP 54 -10.616 3.277 -11.391 430 HE3 TRP 54 3HE TRP 54 -8.376 4.725 -6.765 431 HZ2 TRP 54 2HZ TRP 54 -11.601 5.742 -10.428 432 HZ3 TRP 54 3HZ TRP 54 -9.726 6.782 -6.741 433 HH2 TRP 54 HH TRP 54 -11.305 7.280 -8.535 434 H HIS 55 H HIS 55 -4.885 3.437 -6.964 435 HA HIS 55 HA HIS 55 -3.604 1.015 -5.912 436 1HB HIS 55 2HB HIS 55 -2.057 3.571 -5.947 437 2HB HIS 55 1HB HIS 55 -1.474 1.910 -6.000 438 HD1 HIS 55 1HD HIS 55 -0.555 1.266 -8.200 439 HD2 HIS 55 2HD HIS 55 -3.473 4.201 -8.551 440 HE1 HIS 55 1HE HIS 55 -0.698 1.782 -10.657 441 HE2 HIS 55 2HE HIS 55 -2.500 3.531 -10.850 442 H CYS 56 H CYS 56 -4.521 0.836 -3.959 443 HA CYS 56 HA CYS 56 -4.660 3.254 -2.291 444 1HB CYS 56 2HB CYS 56 -6.656 1.261 -1.616 445 2HB CYS 56 1HB CYS 56 -6.846 2.982 -1.928 446 HG CYS 56 HG CYS 56 -8.025 1.171 -3.687 447 H ILE 57 H ILE 57 -5.142 2.602 0.049 448 HA ILE 57 HA ILE 57 -3.924 0.134 0.928 449 HB ILE 57 HB ILE 57 -2.606 2.787 1.467 450 1HG1 ILE 57 2HG1 ILE 57 -1.627 0.190 0.266 451 2HG1 ILE 57 1HG1 ILE 57 -1.972 1.674 -0.617 452 1HG2 ILE 57 1HG2 ILE 57 -2.728 0.387 3.115 453 2HG2 ILE 57 2HG2 ILE 57 -2.142 2.003 3.512 454 3HG2 ILE 57 3HG2 ILE 57 -1.077 0.852 2.704 455 1HD1 ILE 57 1HD1 ILE 57 -0.073 2.007 1.564 456 2HD1 ILE 57 2HD1 ILE 57 -0.004 2.563 -0.109 457 3HD1 ILE 57 3HD1 ILE 57 0.463 0.910 0.292 458 H VAL 58 H VAL 58 -3.968 -0.024 3.352 459 HA VAL 58 HA VAL 58 -5.766 1.811 4.694 460 HB VAL 58 HB VAL 58 -7.363 0.303 3.682 461 1HG1 VAL 58 1HG1 VAL 58 -5.956 -1.602 3.266 462 2HG1 VAL 58 2HG1 VAL 58 -7.339 -2.105 4.240 463 3HG1 VAL 58 3HG1 VAL 58 -5.761 -1.881 4.997 464 1HG2 VAL 58 1HG2 VAL 58 -8.586 -0.297 5.609 465 2HG2 VAL 58 2HG2 VAL 58 -7.629 1.109 6.074 466 3HG2 VAL 58 3HG2 VAL 58 -7.121 -0.506 6.569 467 H GLY 59 H GLY 59 -4.897 2.186 6.608 468 1HA GLY 59 2HA GLY 59 -3.797 -0.057 8.137 469 2HA GLY 59 1HA GLY 59 -2.755 1.323 7.824 470 H ARG 60 H ARG 60 -2.854 1.081 10.305 471 HA ARG 60 HA ARG 60 -4.661 3.143 11.247 472 1HB ARG 60 2HB ARG 60 -5.113 1.569 13.287 473 2HB ARG 60 1HB ARG 60 -6.085 1.435 11.828 474 1HG ARG 60 2HG ARG 60 -4.702 -0.437 11.080 475 2HG ARG 60 1HG ARG 60 -3.739 -0.307 12.552 476 1HD ARG 60 2HD ARG 60 -6.711 -0.687 12.667 477 2HD ARG 60 1HD ARG 60 -5.623 -2.060 12.464 478 HE ARG 60 HE ARG 60 -6.241 -0.923 14.880 479 1HH1 ARG 60 1HH1 ARG 60 -3.328 -1.515 13.066 480 2HH1 ARG 60 2HH1 ARG 60 -2.329 -1.672 14.473 481 1HH2 ARG 60 1HH2 ARG 60 -4.936 -1.129 16.739 482 2HH2 ARG 60 2HH2 ARG 60 -3.244 -1.453 16.562 483 H ASN 61 H ASN 61 -1.776 2.846 10.835 484 HA ASN 61 HA ASN 61 -0.792 4.197 13.015 485 1HB ASN 61 2HB ASN 61 -1.182 1.490 13.685 486 2HB ASN 61 1HB ASN 61 0.554 1.689 13.473 487 1HD2 ASN 61 1HD2 ASN 61 1.692 3.024 14.855 488 2HD2 ASN 61 2HD2 ASN 61 1.024 3.608 16.337 489 H PHE 62 H PHE 62 -0.580 3.788 10.103 490 HA PHE 62 HA PHE 62 2.327 3.397 9.869 491 1HB PHE 62 2HB PHE 62 2.007 2.746 7.613 492 2HB PHE 62 1HB PHE 62 0.749 1.918 8.522 493 HD1 PHE 62 1HD PHE 62 -1.067 4.355 8.865 494 HD2 PHE 62 2HD PHE 62 0.957 2.720 5.499 495 HE1 PHE 62 1HE PHE 62 -2.768 5.323 7.378 496 HE2 PHE 62 2HE PHE 62 -0.739 3.686 4.003 497 HZ PHE 62 HZ PHE 62 -2.606 4.990 4.942 498 H GLY 63 H GLY 63 2.786 4.628 7.476 499 1HA GLY 63 2HA GLY 63 1.836 7.389 7.757 500 2HA GLY 63 1HA GLY 63 3.569 7.089 7.807 501 H SER 64 H SER 64 0.682 6.711 5.811 502 HA SER 64 HA SER 64 2.117 6.028 3.448 503 1HB SER 64 2HB SER 64 -0.130 6.643 2.343 504 2HB SER 64 1HB SER 64 -0.114 5.293 3.477 505 HG SER 64 HG SER 64 -1.431 7.669 3.626 506 H TYR 65 H TYR 65 3.083 7.274 2.006 507 HA TYR 65 HA TYR 65 2.365 10.095 1.772 508 1HB TYR 65 2HB TYR 65 4.289 9.803 3.417 509 2HB TYR 65 1HB TYR 65 5.249 9.240 2.054 510 HD1 TYR 65 1HD TYR 65 5.914 10.786 0.280 511 HD2 TYR 65 2HD TYR 65 3.703 12.131 3.658 512 HE1 TYR 65 1HE TYR 65 6.500 13.111 -0.268 513 HE2 TYR 65 2HE TYR 65 4.282 14.459 3.117 514 HH TYR 65 HH TYR 65 5.580 15.786 1.847 515 H VAL 66 H VAL 66 1.468 9.386 -0.239 516 HA VAL 66 HA VAL 66 3.519 8.920 -2.301 517 HB VAL 66 HB VAL 66 2.171 7.387 -3.464 518 1HG1 VAL 66 1HG1 VAL 66 2.342 5.635 -2.065 519 2HG1 VAL 66 2HG1 VAL 66 1.340 6.392 -0.827 520 3HG1 VAL 66 3HG1 VAL 66 3.044 6.821 -0.967 521 1HG2 VAL 66 1HG2 VAL 66 -0.137 6.956 -3.074 522 2HG2 VAL 66 2HG2 VAL 66 0.053 8.707 -3.146 523 3HG2 VAL 66 3HG2 VAL 66 -0.130 7.905 -1.587 524 H THR 67 H THR 67 3.012 9.711 -4.420 525 HA THR 67 HA THR 67 1.899 12.302 -4.414 526 HB THR 67 HB THR 67 3.635 11.182 -6.022 527 HG1 THR 67 1HG THR 67 3.052 13.347 -6.179 528 1HG2 THR 67 1HG2 THR 67 2.890 9.790 -7.559 529 2HG2 THR 67 2HG2 THR 67 1.856 11.069 -8.199 530 3HG2 THR 67 3HG2 THR 67 1.241 9.973 -6.961 531 H HIS 68 H HIS 68 0.435 12.269 -6.893 532 HA HIS 68 HA HIS 68 -1.896 10.612 -6.374 533 1HB HIS 68 2HB HIS 68 -3.202 12.940 -6.784 534 2HB HIS 68 1HB HIS 68 -2.853 12.288 -5.185 535 HD1 HIS 68 1HD HIS 68 0.123 13.601 -6.860 536 HD2 HIS 68 2HD HIS 68 -2.895 15.088 -4.422 537 HE1 HIS 68 1HE HIS 68 0.974 15.808 -6.007 538 HE2 HIS 68 2HE HIS 68 -0.840 16.659 -4.481 539 H GLU 69 H GLU 69 -2.259 9.685 -8.266 540 HA GLU 69 HA GLU 69 -1.719 11.168 -10.732 541 1HB GLU 69 2HB GLU 69 -2.343 8.236 -10.323 542 2HB GLU 69 1HB GLU 69 -1.904 8.987 -11.851 543 1HG GLU 69 2HG GLU 69 -0.188 8.591 -9.422 544 2HG GLU 69 1HG GLU 69 0.035 7.928 -11.040 545 H THR 70 H THR 70 -3.315 10.517 -12.581 546 HA THR 70 HA THR 70 -5.369 11.163 -13.400 547 HB THR 70 HB THR 70 -6.815 9.330 -11.632 548 HG1 THR 70 1HG THR 70 -4.400 8.649 -11.889 549 1HG2 THR 70 1HG2 THR 70 -7.778 9.806 -13.734 550 2HG2 THR 70 2HG2 THR 70 -7.202 8.141 -13.802 551 3HG2 THR 70 3HG2 THR 70 -6.281 9.426 -14.583 552 H LYS 71 H LYS 71 -7.502 10.280 -11.040 553 HA LYS 71 HA LYS 71 -8.279 12.968 -10.507 554 1HB LYS 71 2HB LYS 71 -9.304 10.285 -9.959 555 2HB LYS 71 1HB LYS 71 -9.611 11.419 -8.651 556 1HG LYS 71 2HG LYS 71 -11.097 12.612 -9.851 557 2HG LYS 71 1HG LYS 71 -10.211 12.398 -11.363 558 1HD LYS 71 2HD LYS 71 -11.131 9.850 -10.645 559 2HD LYS 71 1HD LYS 71 -12.482 10.948 -10.357 560 1HE LYS 71 2HE LYS 71 -12.307 11.797 -12.623 561 2HE LYS 71 1HE LYS 71 -10.898 10.780 -12.918 562 1HZ LYS 71 1HZ LYS 71 -13.138 9.273 -11.987 563 2HZ LYS 71 2HZ LYS 71 -12.188 9.046 -13.369 564 3HZ LYS 71 3HZ LYS 71 -13.498 10.114 -13.409 565 H HIS 72 H HIS 72 -5.583 12.284 -9.665 566 HA HIS 72 HA HIS 72 -4.173 12.851 -7.972 567 1HB HIS 72 2HB HIS 72 -6.630 13.764 -6.466 568 2HB HIS 72 1HB HIS 72 -4.962 14.236 -6.159 569 HD1 HIS 72 1HD HIS 72 -4.294 16.395 -7.163 570 HD2 HIS 72 2HD HIS 72 -7.496 14.678 -9.180 571 HE1 HIS 72 1HE HIS 72 -4.963 18.071 -8.915 572 HE2 HIS 72 2HE HIS 72 -6.863 16.985 -10.163 573 H PHE 73 H PHE 73 -6.810 12.262 -5.741 574 HA PHE 73 HA PHE 73 -6.750 9.612 -5.236 575 1HB PHE 73 2HB PHE 73 -4.943 9.023 -3.909 576 2HB PHE 73 1HB PHE 73 -4.189 10.142 -5.034 577 HD1 PHE 73 1HD PHE 73 -4.970 12.741 -3.960 578 HD2 PHE 73 2HD PHE 73 -3.760 9.198 -1.939 579 HE1 PHE 73 1HE PHE 73 -4.176 14.097 -2.066 580 HE2 PHE 73 2HE PHE 73 -2.964 10.546 -0.042 581 HZ PHE 73 HZ PHE 73 -3.173 12.999 -0.103 582 H ILE 74 H ILE 74 -6.489 9.414 -2.452 583 HA ILE 74 HA ILE 74 -7.744 11.559 -1.087 584 HB ILE 74 HB ILE 74 -9.679 10.767 -2.433 585 1HG1 ILE 74 2HG1 ILE 74 -9.562 10.868 0.534 586 2HG1 ILE 74 1HG1 ILE 74 -10.456 11.880 -0.588 587 1HG2 ILE 74 1HG2 ILE 74 -10.619 8.627 -2.159 588 2HG2 ILE 74 2HG2 ILE 74 -9.626 8.281 -0.743 589 3HG2 ILE 74 3HG2 ILE 74 -8.886 8.349 -2.343 590 1HD1 ILE 74 1HD1 ILE 74 -12.272 10.837 0.135 591 2HD1 ILE 74 2HD1 ILE 74 -11.322 9.599 0.956 592 3HD1 ILE 74 3HD1 ILE 74 -11.712 9.421 -0.754 593 H TYR 75 H TYR 75 -6.711 11.350 0.773 594 HA TYR 75 HA TYR 75 -6.386 8.675 1.945 595 1HB TYR 75 2HB TYR 75 -4.322 10.026 1.562 596 2HB TYR 75 1HB TYR 75 -4.950 11.238 2.674 597 HD1 TYR 75 1HD TYR 75 -4.011 11.189 4.769 598 HD2 TYR 75 2HD TYR 75 -4.506 7.520 2.674 599 HE1 TYR 75 1HE TYR 75 -3.005 9.980 6.661 600 HE2 TYR 75 2HE TYR 75 -3.504 6.300 4.559 601 HH TYR 75 HH TYR 75 -3.161 7.526 7.569 602 H PHE 76 H PHE 76 -7.473 8.150 3.744 603 HA PHE 76 HA PHE 76 -8.524 10.266 5.469 604 1HB PHE 76 2HB PHE 76 -10.693 8.789 5.552 605 2HB PHE 76 1HB PHE 76 -10.475 9.971 4.264 606 HD1 PHE 76 1HD PHE 76 -9.240 9.018 2.125 607 HD2 PHE 76 2HD PHE 76 -11.354 6.669 4.975 608 HE1 PHE 76 1HE PHE 76 -9.527 7.245 0.445 609 HE2 PHE 76 2HE PHE 76 -11.643 4.890 3.300 610 HZ PHE 76 HZ PHE 76 -10.730 5.176 1.031 611 H TYR 77 H TYR 77 -9.767 9.084 7.381 612 HA TYR 77 HA TYR 77 -8.319 6.671 8.192 613 1HB TYR 77 2HB TYR 77 -7.016 8.488 9.135 614 2HB TYR 77 1HB TYR 77 -8.466 9.227 9.804 615 HD1 TYR 77 1HD TYR 77 -9.812 7.713 11.485 616 HD2 TYR 77 2HD TYR 77 -5.712 7.151 10.501 617 HE1 TYR 77 1HE TYR 77 -9.485 6.471 13.582 618 HE2 TYR 77 2HE TYR 77 -5.372 5.905 12.595 619 HH TYR 77 HH TYR 77 -7.854 5.723 15.045 620 H LEU 78 H LEU 78 -10.030 5.318 8.311 621 HA LEU 78 HA LEU 78 -12.625 6.083 9.158 622 1HB LEU 78 2HB LEU 78 -11.323 3.386 8.851 623 2HB LEU 78 1HB LEU 78 -12.999 3.586 9.315 624 HG LEU 78 HG LEU 78 -12.449 3.082 6.852 625 1HD1 LEU 78 1HD1 LEU 78 -14.293 5.263 7.772 626 2HD1 LEU 78 2HD1 LEU 78 -14.667 3.572 7.439 627 3HD1 LEU 78 3HD1 LEU 78 -14.279 4.669 6.113 628 1HD2 LEU 78 1HD2 LEU 78 -11.393 5.835 7.154 629 2HD2 LEU 78 2HD2 LEU 78 -12.303 5.469 5.688 630 3HD2 LEU 78 3HD2 LEU 78 -10.869 4.526 6.094 631 H GLY 79 H GLY 79 -13.611 4.401 10.938 632 1HA GLY 79 2HA GLY 79 -12.875 5.424 13.419 633 2HA GLY 79 1HA GLY 79 -13.810 3.955 13.181 634 H GLN 80 H GLN 80 -10.613 5.286 13.649 635 HA GLN 80 HA GLN 80 -8.814 4.369 14.737 636 1HB GLN 80 2HB GLN 80 -10.332 1.755 14.702 637 2HB GLN 80 1HB GLN 80 -8.903 2.127 15.657 638 1HG GLN 80 2HG GLN 80 -10.443 2.474 17.260 639 2HG GLN 80 1HG GLN 80 -10.504 4.075 16.526 640 1HE2 GLN 80 1HE2 GLN 80 -12.383 4.788 15.773 641 2HE2 GLN 80 2HE2 GLN 80 -13.815 3.839 15.594 642 H VAL 81 H VAL 81 -9.759 4.019 11.748 643 HA VAL 81 HA VAL 81 -7.376 2.489 10.967 644 HB VAL 81 HB VAL 81 -9.957 2.242 9.443 645 1HG1 VAL 81 1HG1 VAL 81 -8.214 -0.011 9.288 646 2HG1 VAL 81 2HG1 VAL 81 -7.286 1.454 8.972 647 3HG1 VAL 81 3HG1 VAL 81 -8.717 1.091 8.006 648 1HG2 VAL 81 1HG2 VAL 81 -10.802 0.830 10.934 649 2HG2 VAL 81 2HG2 VAL 81 -9.452 1.181 12.012 650 3HG2 VAL 81 3HG2 VAL 81 -9.341 -0.154 10.865 651 H ALA 82 H ALA 82 -7.131 2.750 8.434 652 HA ALA 82 HA ALA 82 -7.896 5.405 7.518 653 1HB ALA 82 1HB ALA 82 -5.948 6.166 8.452 654 2HB ALA 82 2HB ALA 82 -5.366 5.686 6.859 655 3HB ALA 82 3HB ALA 82 -5.115 4.625 8.244 656 H ILE 83 H ILE 83 -7.374 5.751 5.229 657 HA ILE 83 HA ILE 83 -6.668 3.357 3.717 658 HB ILE 83 HB ILE 83 -9.053 4.769 2.688 659 1HG1 ILE 83 2HG1 ILE 83 -9.447 4.447 5.177 660 2HG1 ILE 83 1HG1 ILE 83 -10.625 3.694 4.109 661 1HG2 ILE 83 1HG2 ILE 83 -9.241 1.925 2.739 662 2HG2 ILE 83 2HG2 ILE 83 -7.629 2.386 2.192 663 3HG2 ILE 83 3HG2 ILE 83 -9.054 3.000 1.354 664 1HD1 ILE 83 1HD1 ILE 83 -8.348 2.017 4.949 665 2HD1 ILE 83 2HD1 ILE 83 -10.050 1.604 4.735 666 3HD1 ILE 83 3HD1 ILE 83 -9.522 2.448 6.192 667 H LEU 84 H LEU 84 -5.167 3.961 2.324 668 HA LEU 84 HA LEU 84 -5.151 6.706 1.297 669 1HB LEU 84 2HB LEU 84 -3.032 6.337 2.086 670 2HB LEU 84 1HB LEU 84 -3.088 4.617 1.754 671 HG LEU 84 HG LEU 84 -3.115 5.816 -0.765 672 1HD1 LEU 84 1HD1 LEU 84 -0.712 7.007 -0.093 673 2HD1 LEU 84 2HD1 LEU 84 -1.826 7.543 1.166 674 3HD1 LEU 84 3HD1 LEU 84 -2.208 7.831 -0.531 675 1HD2 LEU 84 1HD2 LEU 84 -0.471 5.043 0.092 676 2HD2 LEU 84 2HD2 LEU 84 -1.551 4.266 -1.066 677 3HD2 LEU 84 3HD2 LEU 84 -1.685 3.895 0.653 678 H LEU 85 H LEU 85 -6.512 6.755 -0.427 679 HA LEU 85 HA LEU 85 -6.258 4.659 -2.467 680 1HB LEU 85 2HB LEU 85 -8.464 6.097 -1.380 681 2HB LEU 85 1HB LEU 85 -8.346 6.486 -3.085 682 HG LEU 85 HG LEU 85 -8.237 3.942 -3.463 683 1HD1 LEU 85 1HD1 LEU 85 -7.850 3.486 -1.021 684 2HD1 LEU 85 2HD1 LEU 85 -9.128 2.536 -1.780 685 3HD1 LEU 85 3HD1 LEU 85 -9.541 3.910 -0.754 686 1HD2 LEU 85 1HD2 LEU 85 -10.918 4.384 -2.467 687 2HD2 LEU 85 2HD2 LEU 85 -10.350 4.178 -4.124 688 3HD2 LEU 85 3HD2 LEU 85 -10.318 5.773 -3.373 689 H PHE 86 H PHE 86 -5.405 5.050 -4.411 690 HA PHE 86 HA PHE 86 -5.465 7.612 -5.662 691 1HB PHE 86 2HB PHE 86 -3.120 8.162 -5.642 692 2HB PHE 86 1HB PHE 86 -3.665 7.976 -3.979 693 HD1 PHE 86 1HD PHE 86 -2.754 6.316 -2.564 694 HD2 PHE 86 2HD PHE 86 -1.756 6.388 -6.699 695 HE1 PHE 86 1HE PHE 86 -0.954 4.689 -2.153 696 HE2 PHE 86 2HE PHE 86 0.046 4.761 -6.297 697 HZ PHE 86 HZ PHE 86 0.448 3.910 -4.022 698 H LYS 87 H LYS 87 -5.338 7.389 -7.807 699 HA LYS 87 HA LYS 87 -4.780 4.766 -8.924 700 1HB LYS 87 2HB LYS 87 -6.118 7.251 -9.830 701 2HB LYS 87 1HB LYS 87 -5.342 6.289 -11.078 702 1HG LYS 87 2HG LYS 87 -6.685 4.380 -10.506 703 2HG LYS 87 1HG LYS 87 -7.388 5.244 -9.136 704 1HD LYS 87 2HD LYS 87 -8.892 5.221 -11.078 705 2HD LYS 87 1HD LYS 87 -8.399 6.858 -10.646 706 1HE LYS 87 2HE LYS 87 -6.901 6.991 -12.464 707 2HE LYS 87 1HE LYS 87 -6.980 5.253 -12.755 708 1HZ LYS 87 1HZ LYS 87 -8.814 7.356 -13.570 709 2HZ LYS 87 2HZ LYS 87 -9.530 5.907 -13.073 710 3HZ LYS 87 3HZ LYS 87 -8.415 5.906 -14.345 711 H SER 88 H SER 88 -3.904 5.497 -11.463 712 HA SER 88 HA SER 88 -1.422 6.970 -11.151 713 1HB SER 88 2HB SER 88 -1.578 4.023 -11.584 714 2HB SER 88 1HB SER 88 -0.321 4.924 -12.430 715 HG SER 88 HG SER 88 -0.456 5.677 -9.844 716 H GLY 89 H GLY 89 -4.047 6.888 -12.641 717 1HA GLY 89 2HA GLY 89 -3.978 6.365 -15.283 718 2HA GLY 89 1HA GLY 89 -4.679 7.850 -14.659 719 1H MET 1 1HT MET 1 28.863 -1.311 5.329 720 2H MET 1 2HT MET 1 29.524 -2.509 4.291 721 3H MET 1 3HT MET 1 27.829 -2.434 4.551 722 HA MET 1 HA MET 1 29.403 -0.270 3.336 723 1HB MET 1 2HB MET 1 29.647 -2.068 1.841 724 2HB MET 1 1HB MET 1 28.028 -2.674 2.166 725 1HG MET 1 2HG MET 1 28.151 -1.689 -0.039 726 2HG MET 1 1HG MET 1 27.071 -0.760 0.999 727 1HE MET 1 1HE MET 1 27.438 2.188 0.165 728 2HE MET 1 2HE MET 1 27.045 0.757 -0.791 729 3HE MET 1 3HE MET 1 28.321 1.852 -1.324 730 H CYS 2 H CYS 2 26.268 -1.821 3.930 731 HA CYS 2 HA CYS 2 25.027 0.769 4.238 732 1HB CYS 2 2HB CYS 2 24.104 0.926 2.210 733 2HB CYS 2 1HB CYS 2 24.876 -0.581 1.729 734 HG CYS 2 HG CYS 2 22.604 -1.460 1.559 735 H ASP 3 H ASP 3 23.644 0.651 5.869 736 HA ASP 3 HA ASP 3 22.633 -1.992 6.660 737 1HB ASP 3 2HB ASP 3 22.355 0.325 8.495 738 2HB ASP 3 1HB ASP 3 22.772 -1.350 8.849 739 H ARG 4 H ARG 4 20.462 -2.345 7.013 740 HA ARG 4 HA ARG 4 18.668 -0.217 6.047 741 1HB ARG 4 2HB ARG 4 18.007 -3.153 6.065 742 2HB ARG 4 1HB ARG 4 17.233 -1.867 5.151 743 1HG ARG 4 2HG ARG 4 18.523 -3.123 3.621 744 2HG ARG 4 1HG ARG 4 19.381 -1.604 3.884 745 1HD ARG 4 2HD ARG 4 20.867 -2.717 5.476 746 2HD ARG 4 1HD ARG 4 20.004 -4.234 5.224 747 HE ARG 4 HE ARG 4 21.167 -2.994 2.866 748 1HH1 ARG 4 1HH1 ARG 4 21.442 -5.378 5.388 749 2HH1 ARG 4 2HH1 ARG 4 22.617 -6.328 4.542 750 1HH2 ARG 4 1HH2 ARG 4 22.714 -4.238 1.741 751 2HH2 ARG 4 2HH2 ARG 4 23.341 -5.681 2.468 752 H LYS 5 H LYS 5 19.429 -2.322 8.655 753 HA LYS 5 HA LYS 5 18.384 -2.819 10.635 754 1HB LYS 5 2HB LYS 5 19.013 -0.193 10.522 755 2HB LYS 5 1HB LYS 5 17.282 -0.077 10.812 756 1HG LYS 5 2HG LYS 5 18.561 -0.011 12.889 757 2HG LYS 5 1HG LYS 5 17.503 -1.421 12.819 758 1HD LYS 5 2HD LYS 5 20.287 -1.723 11.829 759 2HD LYS 5 1HD LYS 5 20.043 -1.597 13.572 760 1HE LYS 5 2HE LYS 5 18.105 -3.386 12.828 761 2HE LYS 5 1HE LYS 5 19.430 -3.789 11.737 762 1HZ LYS 5 1HZ LYS 5 20.885 -4.051 13.629 763 2HZ LYS 5 2HZ LYS 5 19.527 -5.043 13.816 764 3HZ LYS 5 3HZ LYS 5 19.648 -3.602 14.693 765 H ALA 6 H ALA 6 16.763 -3.177 8.223 766 HA ALA 6 HA ALA 6 14.101 -2.985 9.464 767 1HB ALA 6 1HB ALA 6 13.090 -2.392 7.452 768 2HB ALA 6 2HB ALA 6 14.480 -2.901 6.494 769 3HB ALA 6 3HB ALA 6 14.569 -1.432 7.467 770 H VAL 7 H VAL 7 12.707 -4.419 7.545 771 HA VAL 7 HA VAL 7 14.035 -6.975 7.188 772 HB VAL 7 HB VAL 7 11.469 -6.881 8.768 773 1HG1 VAL 7 1HG1 VAL 7 12.168 -8.911 7.357 774 2HG1 VAL 7 2HG1 VAL 7 11.709 -9.183 9.038 775 3HG1 VAL 7 3HG1 VAL 7 13.413 -9.155 8.582 776 1HG2 VAL 7 1HG2 VAL 7 12.832 -7.466 10.738 777 2HG2 VAL 7 2HG2 VAL 7 13.205 -5.858 10.115 778 3HG2 VAL 7 3HG2 VAL 7 14.292 -7.207 9.782 779 H ILE 8 H ILE 8 13.632 -6.140 4.981 780 HA ILE 8 HA ILE 8 11.298 -5.544 3.767 781 HB ILE 8 HB ILE 8 13.707 -7.014 2.855 782 1HG1 ILE 8 2HG1 ILE 8 13.331 -5.213 0.991 783 2HG1 ILE 8 1HG1 ILE 8 12.187 -4.533 2.145 784 1HG2 ILE 8 1HG2 ILE 8 11.467 -8.118 1.927 785 2HG2 ILE 8 2HG2 ILE 8 12.905 -7.915 0.927 786 3HG2 ILE 8 3HG2 ILE 8 11.579 -6.760 0.807 787 1HD1 ILE 8 1HD1 ILE 8 15.101 -5.058 2.689 788 2HD1 ILE 8 2HD1 ILE 8 13.947 -4.304 3.790 789 3HD1 ILE 8 3HD1 ILE 8 14.395 -3.491 2.290 790 H LYS 9 H LYS 9 9.706 -6.752 2.590 791 HA LYS 9 HA LYS 9 9.342 -9.553 3.252 792 1HB LYS 9 2HB LYS 9 6.925 -7.960 3.825 793 2HB LYS 9 1HB LYS 9 7.555 -9.386 4.640 794 1HG LYS 9 2HG LYS 9 9.182 -6.996 5.039 795 2HG LYS 9 1HG LYS 9 7.536 -6.855 5.656 796 1HD LYS 9 2HD LYS 9 8.053 -9.241 6.637 797 2HD LYS 9 1HD LYS 9 9.725 -8.703 6.477 798 1HE LYS 9 2HE LYS 9 9.339 -7.898 8.557 799 2HE LYS 9 1HE LYS 9 8.691 -6.535 7.646 800 1HZ LYS 9 1HZ LYS 9 6.509 -7.939 7.791 801 2HZ LYS 9 2HZ LYS 9 6.982 -6.952 9.079 802 3HZ LYS 9 3HZ LYS 9 7.267 -8.617 9.142 803 H ASN 10 H ASN 10 9.011 -6.916 1.254 804 HA ASN 10 HA ASN 10 7.850 -8.464 -0.848 805 1HB ASN 10 2HB ASN 10 5.984 -7.278 0.766 806 2HB ASN 10 1HB ASN 10 6.217 -6.046 -0.471 807 1HD2 ASN 10 1HD2 ASN 10 6.937 -8.143 -2.449 808 2HD2 ASN 10 2HD2 ASN 10 5.432 -8.843 -2.929 809 H ALA 11 H ALA 11 10.062 -7.741 -1.445 810 HA ALA 11 HA ALA 11 10.018 -5.018 -2.573 811 1HB ALA 11 1HB ALA 11 12.428 -4.950 -2.332 812 2HB ALA 11 2HB ALA 11 12.434 -6.597 -1.700 813 3HB ALA 11 3HB ALA 11 11.672 -5.302 -0.777 814 H ASP 12 H ASP 12 9.716 -5.068 -4.689 815 HA ASP 12 HA ASP 12 10.948 -7.237 -6.246 816 1HB ASP 12 2HB ASP 12 8.299 -5.949 -6.382 817 2HB ASP 12 1HB ASP 12 9.087 -6.189 -7.938 818 H MET 13 H MET 13 12.252 -4.810 -5.405 819 HA MET 13 HA MET 13 12.658 -3.491 -8.007 820 1HB MET 13 2HB MET 13 12.018 -1.682 -6.798 821 2HB MET 13 1HB MET 13 12.394 -2.446 -5.263 822 1HG MET 13 2HG MET 13 14.870 -1.981 -6.417 823 2HG MET 13 1HG MET 13 13.923 -0.548 -6.812 824 1HE MET 13 1HE MET 13 13.117 1.176 -3.698 825 2HE MET 13 2HE MET 13 12.040 -0.218 -3.797 826 3HE MET 13 3HE MET 13 12.512 0.639 -5.265 827 H SER 14 H SER 14 14.927 -2.498 -8.165 828 HA SER 14 HA SER 14 16.833 -4.473 -8.280 829 1HB SER 14 2HB SER 14 17.937 -2.822 -9.314 830 2HB SER 14 1HB SER 14 16.755 -1.659 -8.716 831 HG SER 14 HG SER 14 18.747 -1.034 -7.965 832 H GLU 15 H GLU 15 18.123 -5.480 -6.875 833 HA GLU 15 HA GLU 15 17.823 -5.610 -4.210 834 1HB GLU 15 2HB GLU 15 20.452 -5.771 -5.694 835 2HB GLU 15 1HB GLU 15 20.202 -6.335 -4.047 836 1HG GLU 15 2HG GLU 15 18.543 -7.942 -4.854 837 2HG GLU 15 1HG GLU 15 18.816 -7.384 -6.505 838 H GLU 16 H GLU 16 20.592 -3.772 -5.494 839 HA GLU 16 HA GLU 16 21.262 -2.410 -3.209 840 1HB GLU 16 2HB GLU 16 21.377 -1.095 -5.915 841 2HB GLU 16 1HB GLU 16 22.491 -0.912 -4.566 842 1HG GLU 16 2HG GLU 16 22.239 -3.639 -5.631 843 2HG GLU 16 1HG GLU 16 22.951 -2.456 -6.727 844 H MET 17 H MET 17 18.670 -1.738 -5.449 845 HA MET 17 HA MET 17 18.066 0.876 -4.508 846 1HB MET 17 2HB MET 17 16.686 -1.152 -6.212 847 2HB MET 17 1HB MET 17 15.750 0.195 -5.581 848 1HG MET 17 2HG MET 17 18.170 1.215 -6.662 849 2HG MET 17 1HG MET 17 17.439 0.128 -7.842 850 1HE MET 17 1HE MET 17 16.288 2.264 -5.073 851 2HE MET 17 2HE MET 17 14.600 2.298 -5.582 852 3HE MET 17 3HE MET 17 15.620 3.719 -5.814 853 H GLN 18 H GLN 18 16.943 -2.359 -3.667 854 HA GLN 18 HA GLN 18 14.852 -1.533 -1.943 855 1HB GLN 18 2HB GLN 18 15.981 -4.050 -1.121 856 2HB GLN 18 1HB GLN 18 14.425 -3.725 -1.872 857 1HG GLN 18 2HG GLN 18 16.165 -3.504 -3.978 858 2HG GLN 18 1HG GLN 18 16.872 -4.805 -3.020 859 1HE2 GLN 18 1HE2 GLN 18 13.611 -3.755 -3.964 860 2HE2 GLN 18 2HE2 GLN 18 13.070 -5.316 -4.468 861 H GLN 19 H GLN 19 18.265 -2.228 -1.450 862 HA GLN 19 HA GLN 19 18.156 -1.996 1.398 863 1HB GLN 19 2HB GLN 19 20.524 -1.820 -0.480 864 2HB GLN 19 1HB GLN 19 20.615 -1.992 1.269 865 1HG GLN 19 2HG GLN 19 19.458 -3.990 -0.661 866 2HG GLN 19 1HG GLN 19 21.006 -4.113 0.175 867 1HE2 GLN 19 1HE2 GLN 19 20.606 -5.925 1.335 868 2HE2 GLN 19 2HE2 GLN 19 19.397 -6.043 2.562 869 H ASP 20 H ASP 20 18.822 0.127 -1.306 870 HA ASP 20 HA ASP 20 19.713 2.322 0.277 871 1HB ASP 20 2HB ASP 20 19.079 1.851 -2.578 872 2HB ASP 20 1HB ASP 20 18.899 3.510 -2.015 873 H SER 21 H SER 21 16.654 1.125 -0.858 874 HA SER 21 HA SER 21 15.122 3.464 -0.366 875 1HB SER 21 2HB SER 21 13.426 2.250 -1.224 876 2HB SER 21 1HB SER 21 14.635 1.007 -1.540 877 HG SER 21 HG SER 21 13.908 -0.141 0.098 878 H VAL 22 H VAL 22 15.886 0.583 1.540 879 HA VAL 22 HA VAL 22 14.260 1.260 3.762 880 HB VAL 22 HB VAL 22 16.775 -0.398 3.891 881 1HG1 VAL 22 1HG1 VAL 22 15.566 -1.562 5.684 882 2HG1 VAL 22 2HG1 VAL 22 14.210 -0.453 5.478 883 3HG1 VAL 22 3HG1 VAL 22 15.768 0.155 6.036 884 1HG2 VAL 22 1HG2 VAL 22 15.876 -1.882 2.504 885 2HG2 VAL 22 2HG2 VAL 22 14.443 -0.872 2.310 886 3HG2 VAL 22 3HG2 VAL 22 14.514 -2.063 3.609 887 H GLU 23 H GLU 23 17.604 1.943 2.888 888 HA GLU 23 HA GLU 23 18.400 3.064 5.351 889 1HB GLU 23 2HB GLU 23 19.410 3.658 2.560 890 2HB GLU 23 1HB GLU 23 20.220 4.119 4.051 891 1HG GLU 23 2HG GLU 23 20.105 1.552 4.547 892 2HG GLU 23 1HG GLU 23 19.936 1.437 2.795 893 H CYS 24 H CYS 24 16.866 4.407 2.480 894 HA CYS 24 HA CYS 24 16.982 7.122 3.323 895 1HB CYS 24 2HB CYS 24 15.125 5.747 1.365 896 2HB CYS 24 1HB CYS 24 15.244 7.490 1.576 897 HG CYS 24 HG CYS 24 17.703 5.873 0.578 898 H ALA 25 H ALA 25 14.742 4.474 3.805 899 HA ALA 25 HA ALA 25 12.672 6.069 4.982 900 1HB ALA 25 1HB ALA 25 11.658 4.145 4.373 901 2HB ALA 25 2HB ALA 25 12.227 3.554 5.934 902 3HB ALA 25 3HB ALA 25 13.152 3.212 4.473 903 H THR 26 H THR 26 15.484 4.320 5.995 904 HA THR 26 HA THR 26 15.021 4.462 8.798 905 HB THR 26 HB THR 26 17.528 4.038 7.166 906 HG1 THR 26 1HG THR 26 16.997 2.010 7.238 907 1HG2 THR 26 1HG2 THR 26 17.624 4.858 9.714 908 2HG2 THR 26 2HG2 THR 26 18.792 3.754 8.987 909 3HG2 THR 26 3HG2 THR 26 17.457 3.119 9.949 910 H GLN 27 H GLN 27 16.676 6.435 6.402 911 HA GLN 27 HA GLN 27 17.952 8.243 8.114 912 1HB GLN 27 2HB GLN 27 17.044 8.286 5.278 913 2HB GLN 27 1HB GLN 27 17.422 9.832 6.025 914 1HG GLN 27 2HG GLN 27 19.655 8.949 6.620 915 2HG GLN 27 1HG GLN 27 19.264 7.470 5.746 916 1HE2 GLN 27 1HE2 GLN 27 17.685 9.596 4.006 917 2HE2 GLN 27 2HE2 GLN 27 18.895 10.089 2.876 918 H ALA 28 H ALA 28 14.707 8.173 6.750 919 HA ALA 28 HA ALA 28 13.846 10.661 7.823 920 1HB ALA 28 1HB ALA 28 12.658 8.426 6.376 921 2HB ALA 28 2HB ALA 28 12.277 10.146 6.309 922 3HB ALA 28 3HB ALA 28 11.564 9.135 7.563 923 H LEU 29 H LEU 29 13.858 7.348 8.974 924 HA LEU 29 HA LEU 29 12.191 7.683 11.215 925 1HB LEU 29 2HB LEU 29 14.369 5.719 10.564 926 2HB LEU 29 1HB LEU 29 13.478 5.649 12.073 927 HG LEU 29 HG LEU 29 11.695 5.796 9.790 928 1HD1 LEU 29 1HD1 LEU 29 13.336 3.295 9.948 929 2HD1 LEU 29 2HD1 LEU 29 13.744 4.611 8.848 930 3HD1 LEU 29 3HD1 LEU 29 12.189 3.793 8.703 931 1HD2 LEU 29 1HD2 LEU 29 10.649 3.933 10.898 932 2HD2 LEU 29 2HD2 LEU 29 11.094 5.146 12.098 933 3HD2 LEU 29 3HD2 LEU 29 12.072 3.690 11.911 934 H GLU 30 H GLU 30 15.657 8.088 10.742 935 HA GLU 30 HA GLU 30 16.226 8.569 13.504 936 1HB GLU 30 2HB GLU 30 17.715 8.081 11.167 937 2HB GLU 30 1HB GLU 30 18.208 9.673 11.726 938 1HG GLU 30 2HG GLU 30 18.059 7.812 13.919 939 2HG GLU 30 1HG GLU 30 19.108 7.207 12.639 940 H LYS 31 H LYS 31 15.376 10.542 10.750 941 HA LYS 31 HA LYS 31 16.074 13.021 12.063 942 1HB LYS 31 2HB LYS 31 14.895 12.269 9.419 943 2HB LYS 31 1HB LYS 31 14.705 13.917 9.999 944 1HG LYS 31 2HG LYS 31 16.820 14.442 9.533 945 2HG LYS 31 1HG LYS 31 17.438 12.940 10.223 946 1HD LYS 31 2HD LYS 31 17.213 11.781 8.225 947 2HD LYS 31 1HD LYS 31 16.022 12.915 7.586 948 1HE LYS 31 2HE LYS 31 17.621 14.083 6.580 949 2HE LYS 31 1HE LYS 31 18.465 14.306 8.112 950 1HZ LYS 31 1HZ LYS 31 19.764 12.435 7.760 951 2HZ LYS 31 2HZ LYS 31 19.680 13.122 6.217 952 3HZ LYS 31 3HZ LYS 31 18.717 11.785 6.599 953 H TYR 32 H TYR 32 13.252 11.033 11.619 954 HA TYR 32 HA TYR 32 11.800 12.679 13.520 955 1HB TYR 32 2HB TYR 32 9.996 11.983 11.365 956 2HB TYR 32 1HB TYR 32 10.284 13.548 12.117 957 HD1 TYR 32 1HD TYR 32 11.362 11.274 9.422 958 HD2 TYR 32 2HD TYR 32 11.672 15.184 11.068 959 HE1 TYR 32 1HE TYR 32 12.474 12.042 7.369 960 HE2 TYR 32 2HE TYR 32 12.785 15.964 9.018 961 HH TYR 32 HH TYR 32 14.259 14.283 6.972 962 H ASN 33 H ASN 33 9.648 11.601 14.074 963 HA ASN 33 HA ASN 33 9.876 8.675 13.846 964 1HB ASN 33 2HB ASN 33 10.587 9.778 16.109 965 2HB ASN 33 1HB ASN 33 8.852 9.946 16.362 966 1HD2 ASN 33 1HD2 ASN 33 7.956 8.356 17.436 967 2HD2 ASN 33 2HD2 ASN 33 8.501 6.717 17.485 968 H ILE 34 H ILE 34 8.239 10.580 12.366 969 HA ILE 34 HA ILE 34 5.555 9.716 13.235 970 HB ILE 34 HB ILE 34 5.890 11.992 11.348 971 1HG1 ILE 34 2HG1 ILE 34 7.478 12.621 13.029 972 2HG1 ILE 34 1HG1 ILE 34 6.013 13.557 13.302 973 1HG2 ILE 34 1HG2 ILE 34 3.691 10.936 12.090 974 2HG2 ILE 34 2HG2 ILE 34 3.818 12.693 12.179 975 3HG2 ILE 34 3HG2 ILE 34 3.979 11.724 13.642 976 1HD1 ILE 34 1HD1 ILE 34 7.022 12.711 15.370 977 2HD1 ILE 34 2HD1 ILE 34 6.760 11.063 14.799 978 3HD1 ILE 34 3HD1 ILE 34 5.381 12.115 15.116 979 H GLU 35 H GLU 35 5.053 7.962 12.038 980 HA GLU 35 HA GLU 35 5.963 6.927 9.788 981 1HB GLU 35 2HB GLU 35 3.002 7.234 9.763 982 2HB GLU 35 1HB GLU 35 3.983 5.795 9.520 983 1HG GLU 35 2HG GLU 35 3.242 5.245 11.556 984 2HG GLU 35 1HG GLU 35 4.525 6.320 12.107 985 H LYS 36 H LYS 36 3.171 9.122 9.457 986 HA LYS 36 HA LYS 36 3.272 9.580 6.777 987 1HB LYS 36 2HB LYS 36 2.656 12.092 7.730 988 2HB LYS 36 1HB LYS 36 1.512 10.778 7.499 989 1HG LYS 36 2HG LYS 36 1.289 10.398 9.712 990 2HG LYS 36 1HG LYS 36 2.972 10.800 10.062 991 1HD LYS 36 2HD LYS 36 1.635 12.490 11.065 992 2HD LYS 36 1HD LYS 36 2.375 13.206 9.631 993 1HE LYS 36 2HE LYS 36 0.336 13.810 8.982 994 2HE LYS 36 1HE LYS 36 -0.020 12.102 8.731 995 1HZ LYS 36 1HZ LYS 36 -0.707 12.020 11.105 996 2HZ LYS 36 2HZ LYS 36 -1.687 13.002 10.139 997 3HZ LYS 36 3HZ LYS 36 -0.547 13.704 11.172 998 H ASP 37 H ASP 37 5.166 11.244 9.268 999 HA ASP 37 HA ASP 37 6.457 13.060 7.539 1000 1HB ASP 37 2HB ASP 37 6.658 12.252 10.323 1001 2HB ASP 37 1HB ASP 37 8.245 12.552 9.622 1002 H ILE 38 H ILE 38 7.724 10.079 9.028 1003 HA ILE 38 HA ILE 38 10.135 9.874 7.776 1004 HB ILE 38 HB ILE 38 8.485 7.391 7.954 1005 1HG1 ILE 38 2HG1 ILE 38 9.659 8.582 10.445 1006 2HG1 ILE 38 1HG1 ILE 38 8.045 9.057 9.927 1007 1HG2 ILE 38 1HG2 ILE 38 10.641 6.618 9.053 1008 2HG2 ILE 38 2HG2 ILE 38 11.325 8.164 8.550 1009 3HG2 ILE 38 3HG2 ILE 38 10.724 7.030 7.340 1010 1HD1 ILE 38 1HD1 ILE 38 7.146 7.027 10.405 1011 2HD1 ILE 38 2HD1 ILE 38 8.447 7.061 11.596 1012 3HD1 ILE 38 3HD1 ILE 38 8.650 6.161 10.093 1013 H ALA 39 H ALA 39 7.061 8.545 6.546 1014 HA ALA 39 HA ALA 39 7.935 7.511 4.148 1015 1HB ALA 39 1HB ALA 39 5.564 7.563 5.238 1016 2HB ALA 39 2HB ALA 39 5.725 7.442 3.486 1017 3HB ALA 39 3HB ALA 39 5.342 8.994 4.231 1018 H ALA 40 H ALA 40 6.845 10.830 4.807 1019 HA ALA 40 HA ALA 40 7.125 11.898 2.264 1020 1HB ALA 40 1HB ALA 40 6.784 13.916 3.244 1021 2HB ALA 40 2HB ALA 40 7.958 13.616 4.525 1022 3HB ALA 40 3HB ALA 40 6.348 12.904 4.621 1023 H HIS 41 H HIS 41 9.474 12.377 4.887 1024 HA HIS 41 HA HIS 41 11.588 13.403 3.586 1025 1HB HIS 41 2HB HIS 41 12.017 13.097 5.829 1026 2HB HIS 41 1HB HIS 41 11.363 11.466 5.842 1027 HD1 HIS 41 1HD HIS 41 14.378 12.985 6.501 1028 HD2 HIS 41 2HD HIS 41 13.349 9.820 4.015 1029 HE1 HIS 41 1HE HIS 41 16.502 11.684 6.154 1030 HE2 HIS 41 2HE HIS 41 15.831 9.718 4.729 1031 H ILE 42 H ILE 42 10.631 10.006 3.543 1032 HA ILE 42 HA ILE 42 12.843 9.066 2.046 1033 HB ILE 42 HB ILE 42 10.083 7.858 2.248 1034 1HG1 ILE 42 2HG1 ILE 42 12.522 7.182 3.897 1035 2HG1 ILE 42 1HG1 ILE 42 11.294 8.324 4.434 1036 1HG2 ILE 42 1HG2 ILE 42 10.979 6.585 0.604 1037 2HG2 ILE 42 2HG2 ILE 42 11.723 5.764 1.976 1038 3HG2 ILE 42 3HG2 ILE 42 12.638 6.964 1.063 1039 1HD1 ILE 42 1HD1 ILE 42 10.863 5.412 3.810 1040 2HD1 ILE 42 2HD1 ILE 42 9.610 6.549 4.307 1041 3HD1 ILE 42 3HD1 ILE 42 10.924 6.146 5.412 1042 H LYS 43 H LYS 43 9.448 9.276 0.965 1043 HA LYS 43 HA LYS 43 9.725 8.877 -1.682 1044 1HB LYS 43 2HB LYS 43 7.550 9.267 -0.774 1045 2HB LYS 43 1HB LYS 43 7.972 10.907 -0.301 1046 1HG LYS 43 2HG LYS 43 8.049 11.615 -2.587 1047 2HG LYS 43 1HG LYS 43 7.840 9.957 -3.153 1048 1HD LYS 43 2HD LYS 43 5.623 10.106 -2.984 1049 2HD LYS 43 1HD LYS 43 5.733 10.700 -1.327 1050 1HE LYS 43 2HE LYS 43 5.057 12.688 -2.054 1051 2HE LYS 43 1HE LYS 43 6.565 12.820 -2.957 1052 1HZ LYS 43 1HZ LYS 43 3.924 12.465 -3.930 1053 2HZ LYS 43 2HZ LYS 43 4.923 11.214 -4.478 1054 3HZ LYS 43 3HZ LYS 43 5.338 12.824 -4.787 1055 H LYS 44 H LYS 44 10.063 12.085 -0.162 1056 HA LYS 44 HA LYS 44 10.776 13.468 -2.484 1057 1HB LYS 44 2HB LYS 44 11.556 14.059 0.374 1058 2HB LYS 44 1HB LYS 44 11.668 15.192 -0.966 1059 1HG LYS 44 2HG LYS 44 9.370 15.439 -1.119 1060 2HG LYS 44 1HG LYS 44 9.051 13.929 -0.264 1061 1HD LYS 44 2HD LYS 44 9.602 14.867 1.819 1062 2HD LYS 44 1HD LYS 44 10.405 16.252 1.076 1063 1HE LYS 44 2HE LYS 44 7.511 15.815 0.527 1064 2HE LYS 44 1HE LYS 44 7.983 16.454 2.101 1065 1HZ LYS 44 1HZ LYS 44 7.671 18.342 0.831 1066 2HZ LYS 44 2HZ LYS 44 8.338 17.658 -0.565 1067 3HZ LYS 44 3HZ LYS 44 9.344 18.115 0.715 1068 H GLU 45 H GLU 45 12.797 11.878 -0.055 1069 HA GLU 45 HA GLU 45 15.280 12.679 -1.088 1070 1HB GLU 45 2HB GLU 45 15.037 11.740 1.151 1071 2HB GLU 45 1HB GLU 45 14.564 10.190 0.468 1072 1HG GLU 45 2HG GLU 45 16.822 9.996 1.125 1073 2HG GLU 45 1HG GLU 45 16.810 10.095 -0.635 1074 H PHE 46 H PHE 46 13.200 9.947 -1.879 1075 HA PHE 46 HA PHE 46 15.095 8.622 -3.533 1076 1HB PHE 46 2HB PHE 46 12.319 8.248 -2.754 1077 2HB PHE 46 1HB PHE 46 12.584 7.860 -4.451 1078 HD1 PHE 46 1HD PHE 46 13.256 5.732 -4.989 1079 HD2 PHE 46 2HD PHE 46 14.127 7.258 -1.115 1080 HE1 PHE 46 1HE PHE 46 14.196 3.551 -4.347 1081 HE2 PHE 46 2HE PHE 46 15.068 5.081 -0.465 1082 HZ PHE 46 HZ PHE 46 15.105 3.224 -2.079 1083 H ASP 47 H ASP 47 12.646 11.071 -4.103 1084 HA ASP 47 HA ASP 47 12.718 10.942 -6.937 1085 1HB ASP 47 2HB ASP 47 11.273 12.746 -6.914 1086 2HB ASP 47 1HB ASP 47 10.995 12.080 -5.308 1087 H LYS 48 H LYS 48 14.553 12.726 -4.529 1088 HA LYS 48 HA LYS 48 15.962 14.234 -6.575 1089 1HB LYS 48 2HB LYS 48 15.761 14.331 -3.615 1090 2HB LYS 48 1HB LYS 48 17.272 14.885 -4.322 1091 1HG LYS 48 2HG LYS 48 15.246 16.079 -5.838 1092 2HG LYS 48 1HG LYS 48 14.742 16.220 -4.153 1093 1HD LYS 48 2HD LYS 48 16.037 18.151 -4.659 1094 2HD LYS 48 1HD LYS 48 17.036 17.108 -3.643 1095 1HE LYS 48 2HE LYS 48 18.372 17.978 -5.452 1096 2HE LYS 48 1HE LYS 48 18.140 16.245 -5.678 1097 1HZ LYS 48 1HZ LYS 48 16.055 17.554 -6.984 1098 2HZ LYS 48 2HZ LYS 48 17.323 16.672 -7.674 1099 3HZ LYS 48 3HZ LYS 48 17.486 18.339 -7.431 1100 H LYS 49 H LYS 49 16.371 11.379 -4.686 1101 HA LYS 49 HA LYS 49 19.240 11.278 -5.136 1102 1HB LYS 49 2HB LYS 49 17.338 9.946 -3.382 1103 2HB LYS 49 1HB LYS 49 18.456 8.811 -4.125 1104 1HG LYS 49 2HG LYS 49 19.239 11.270 -2.572 1105 2HG LYS 49 1HG LYS 49 19.262 9.614 -1.963 1106 1HD LYS 49 2HD LYS 49 20.870 10.646 -4.299 1107 2HD LYS 49 1HD LYS 49 21.491 10.360 -2.672 1108 1HE LYS 49 2HE LYS 49 20.325 8.287 -4.525 1109 2HE LYS 49 1HE LYS 49 22.034 8.500 -4.150 1110 1HZ LYS 49 1HZ LYS 49 20.474 8.222 -1.786 1111 2HZ LYS 49 2HZ LYS 49 21.809 7.321 -2.301 1112 3HZ LYS 49 3HZ LYS 49 20.254 6.898 -2.815 1113 H TYR 50 H TYR 50 16.314 10.014 -6.505 1114 HA TYR 50 HA TYR 50 17.930 8.517 -8.455 1115 1HB TYR 50 2HB TYR 50 15.175 7.666 -7.574 1116 2HB TYR 50 1HB TYR 50 16.341 6.749 -8.521 1117 HD1 TYR 50 1HD TYR 50 16.053 8.375 -5.168 1118 HD2 TYR 50 2HD TYR 50 17.552 5.106 -7.442 1119 HE1 TYR 50 1HE TYR 50 16.894 7.334 -3.106 1120 HE2 TYR 50 2HE TYR 50 18.396 4.055 -5.385 1121 HH TYR 50 HH TYR 50 17.430 4.832 -2.392 1122 H ASN 51 H ASN 51 14.568 9.603 -7.987 1123 HA ASN 51 HA ASN 51 14.225 11.580 -9.719 1124 1HB ASN 51 2HB ASN 51 13.691 10.641 -11.924 1125 2HB ASN 51 1HB ASN 51 15.362 10.298 -11.489 1126 1HD2 ASN 51 1HD2 ASN 51 14.161 8.279 -9.513 1127 2HD2 ASN 51 2HD2 ASN 51 13.877 6.887 -10.494 1128 HA PRO 52 HA PRO 52 10.293 10.562 -7.828 1129 1HB PRO 52 2HB PRO 52 8.954 12.657 -9.089 1130 2HB PRO 52 1HB PRO 52 9.763 12.742 -7.522 1131 1HG PRO 52 2HG PRO 52 10.739 13.589 -10.210 1132 2HG PRO 52 1HG PRO 52 10.990 14.352 -8.628 1133 1HD PRO 52 2HD PRO 52 12.925 12.926 -9.806 1134 2HD PRO 52 1HD PRO 52 12.682 12.873 -8.046 1135 H THR 53 H THR 53 7.844 9.521 -10.246 1136 HA THR 53 HA THR 53 8.409 10.842 -7.682 1137 HB THR 53 HB THR 53 5.858 10.454 -9.230 1138 HG1 THR 53 1HG THR 53 5.737 12.721 -8.809 1139 1HG2 THR 53 1HG2 THR 53 4.566 10.439 -7.443 1140 2HG2 THR 53 2HG2 THR 53 5.399 11.844 -6.779 1141 3HG2 THR 53 3HG2 THR 53 6.002 10.221 -6.444 1142 H TRP 54 H TRP 54 8.579 9.610 -5.944 1143 HA TRP 54 HA TRP 54 7.816 6.793 -6.147 1144 1HB TRP 54 2HB TRP 54 9.493 8.203 -4.066 1145 2HB TRP 54 1HB TRP 54 9.223 6.467 -4.162 1146 HD1 TRP 54 HD TRP 54 10.718 9.247 -6.431 1147 HE1 TRP 54 1HE TRP 54 12.730 8.242 -7.677 1148 HE3 TRP 54 3HE TRP 54 10.426 4.444 -4.703 1149 HZ2 TRP 54 2HZ TRP 54 14.028 5.745 -7.898 1150 HZ3 TRP 54 3HZ TRP 54 12.090 2.807 -5.481 1151 HH2 TRP 54 HH TRP 54 13.851 3.442 -7.046 1152 H HIS 55 H HIS 55 6.556 5.750 -4.647 1153 HA HIS 55 HA HIS 55 4.892 7.483 -2.941 1154 1HB HIS 55 2HB HIS 55 4.240 4.821 -4.234 1155 2HB HIS 55 1HB HIS 55 3.177 5.680 -3.124 1156 HD1 HIS 55 1HD HIS 55 1.306 6.252 -4.706 1157 HD2 HIS 55 2HD HIS 55 5.032 7.400 -6.143 1158 HE1 HIS 55 1HE HIS 55 0.840 7.646 -6.747 1159 HE2 HIS 55 2HE HIS 55 3.109 8.340 -7.595 1160 H CYS 56 H CYS 56 5.970 7.412 -1.030 1161 HA CYS 56 HA CYS 56 6.790 4.786 -0.011 1162 1HB CYS 56 2HB CYS 56 8.556 6.430 -0.056 1163 2HB CYS 56 1HB CYS 56 7.569 7.574 0.847 1164 HG CYS 56 HG CYS 56 9.423 6.054 2.248 1165 H ILE 57 H ILE 57 5.703 3.794 1.496 1166 HA ILE 57 HA ILE 57 3.981 5.364 3.309 1167 HB ILE 57 HB ILE 57 3.408 2.525 2.468 1168 1HG1 ILE 57 2HG1 ILE 57 3.230 3.870 0.470 1169 2HG1 ILE 57 1HG1 ILE 57 1.605 3.508 1.043 1170 1HG2 ILE 57 1HG2 ILE 57 2.429 3.130 4.576 1171 2HG2 ILE 57 2HG2 ILE 57 1.153 3.080 3.360 1172 3HG2 ILE 57 3HG2 ILE 57 1.795 4.631 3.902 1173 1HD1 ILE 57 1HD1 ILE 57 1.123 5.660 1.132 1174 2HD1 ILE 57 2HD1 ILE 57 2.709 6.010 0.446 1175 3HD1 ILE 57 3HD1 ILE 57 2.496 5.963 2.195 1176 H VAL 58 H VAL 58 5.194 5.434 5.130 1177 HA VAL 58 HA VAL 58 6.424 2.937 6.081 1178 HB VAL 58 HB VAL 58 8.066 4.640 5.881 1179 1HG1 VAL 58 1HG1 VAL 58 5.904 6.354 6.835 1180 2HG1 VAL 58 2HG1 VAL 58 7.287 6.733 5.808 1181 3HG1 VAL 58 3HG1 VAL 58 7.472 6.712 7.561 1182 1HG2 VAL 58 1HG2 VAL 58 7.311 3.592 8.447 1183 2HG2 VAL 58 2HG2 VAL 58 8.077 5.170 8.634 1184 3HG2 VAL 58 3HG2 VAL 58 8.921 3.875 7.785 1185 H GLY 59 H GLY 59 5.486 1.895 7.706 1186 1HA GLY 59 2HA GLY 59 4.164 3.414 9.824 1187 2HA GLY 59 1HA GLY 59 3.197 2.229 8.955 1188 H ARG 60 H ARG 60 3.460 0.064 9.384 1189 HA ARG 60 HA ARG 60 5.569 -1.249 10.483 1190 1HB ARG 60 2HB ARG 60 5.290 -1.239 12.827 1191 2HB ARG 60 1HB ARG 60 5.265 0.442 12.312 1192 1HG ARG 60 2HG ARG 60 2.939 0.608 12.614 1193 2HG ARG 60 1HG ARG 60 2.759 -1.141 12.767 1194 1HD ARG 60 2HD ARG 60 4.250 -0.950 14.823 1195 2HD ARG 60 1HD ARG 60 3.981 0.790 14.721 1196 HE ARG 60 HE ARG 60 1.770 -1.139 15.010 1197 1HH1 ARG 60 1HH1 ARG 60 3.406 1.805 15.898 1198 2HH1 ARG 60 2HH1 ARG 60 2.182 2.301 17.019 1199 1HH2 ARG 60 1HH2 ARG 60 0.148 -0.493 16.483 1200 2HH2 ARG 60 2HH2 ARG 60 0.330 0.995 17.351 1201 H ASN 61 H ASN 61 2.101 -0.873 10.346 1202 HA ASN 61 HA ASN 61 1.801 -3.685 9.810 1203 1HB ASN 61 2HB ASN 61 1.524 -2.871 12.469 1204 2HB ASN 61 1HB ASN 61 -0.126 -3.035 11.875 1205 1HD2 ASN 61 1HD2 ASN 61 0.088 -5.099 10.122 1206 2HD2 ASN 61 2HD2 ASN 61 0.539 -6.543 10.958 1207 H PHE 62 H PHE 62 1.339 -1.589 8.129 1208 HA PHE 62 HA PHE 62 -1.544 -1.102 8.154 1209 1HB PHE 62 2HB PHE 62 -1.120 0.539 6.419 1210 2HB PHE 62 1HB PHE 62 -0.004 0.805 7.755 1211 HD1 PHE 62 1HD PHE 62 2.333 -0.293 7.525 1212 HD2 PHE 62 2HD PHE 62 -0.310 0.397 4.263 1213 HE1 PHE 62 1HE PHE 62 4.232 -0.415 5.966 1214 HE2 PHE 62 2HE PHE 62 1.583 0.277 2.698 1215 HZ PHE 62 HZ PHE 62 3.859 -0.131 3.548 1216 H GLY 63 H GLY 63 -2.490 -1.086 5.794 1217 1HA GLY 63 2HA GLY 63 -1.727 -3.656 4.551 1218 2HA GLY 63 1HA GLY 63 -3.386 -3.083 4.655 1219 H SER 64 H SER 64 -0.261 -2.551 3.146 1220 HA SER 64 HA SER 64 -1.204 -0.512 1.378 1221 1HB SER 64 2HB SER 64 1.067 -1.352 0.183 1222 2HB SER 64 1HB SER 64 1.048 -0.245 1.556 1223 HG SER 64 HG SER 64 1.039 -2.420 2.770 1224 H TYR 65 H TYR 65 -2.038 -0.666 -0.597 1225 HA TYR 65 HA TYR 65 -1.906 -3.192 -2.058 1226 1HB TYR 65 2HB TYR 65 -4.048 -3.023 -0.635 1227 2HB TYR 65 1HB TYR 65 -4.542 -1.763 -1.761 1228 HD1 TYR 65 1HD TYR 65 -3.407 -5.310 -1.662 1229 HD2 TYR 65 2HD TYR 65 -5.638 -2.338 -3.732 1230 HE1 TYR 65 1HE TYR 65 -4.261 -7.030 -3.198 1231 HE2 TYR 65 2HE TYR 65 -6.498 -4.048 -5.275 1232 HH TYR 65 HH TYR 65 -6.283 -6.179 -5.969 1233 H VAL 66 H VAL 66 -0.353 -1.384 -2.926 1234 HA VAL 66 HA VAL 66 -1.781 0.267 -4.898 1235 HB VAL 66 HB VAL 66 0.255 1.609 -5.046 1236 1HG1 VAL 66 1HG1 VAL 66 -1.160 2.551 -3.495 1237 2HG1 VAL 66 2HG1 VAL 66 0.288 2.300 -2.519 1238 3HG1 VAL 66 3HG1 VAL 66 -1.059 1.168 -2.405 1239 1HG2 VAL 66 1HG2 VAL 66 1.552 -0.605 -4.114 1240 2HG2 VAL 66 2HG2 VAL 66 1.546 0.441 -2.693 1241 3HG2 VAL 66 3HG2 VAL 66 2.247 1.012 -4.208 1242 H THR 67 H THR 67 -0.516 0.642 -6.960 1243 HA THR 67 HA THR 67 0.882 -1.799 -7.819 1244 HB THR 67 HB THR 67 -1.232 -0.321 -9.398 1245 HG1 THR 67 1HG THR 67 -1.520 -2.144 -7.560 1246 1HG2 THR 67 1HG2 THR 67 -0.153 -1.185 -11.155 1247 2HG2 THR 67 2HG2 THR 67 -0.921 -2.690 -10.647 1248 3HG2 THR 67 3HG2 THR 67 0.741 -2.344 -10.171 1249 H HIS 68 H HIS 68 2.901 -1.137 -8.178 1250 HA HIS 68 HA HIS 68 3.661 1.484 -8.867 1251 1HB HIS 68 2HB HIS 68 5.047 -0.437 -7.824 1252 2HB HIS 68 1HB HIS 68 5.333 -0.934 -9.488 1253 HD1 HIS 68 1HD HIS 68 5.662 1.988 -10.646 1254 HD2 HIS 68 2HD HIS 68 7.586 0.457 -7.297 1255 HE1 HIS 68 1HE HIS 68 7.743 3.375 -10.374 1256 HE2 HIS 68 2HE HIS 68 8.941 2.365 -8.400 1257 H GLU 69 H GLU 69 5.628 0.460 -10.929 1258 HA GLU 69 HA GLU 69 4.463 -0.405 -13.261 1259 1HB GLU 69 2HB GLU 69 4.400 2.055 -14.329 1260 2HB GLU 69 1HB GLU 69 2.981 1.280 -13.637 1261 1HG GLU 69 2HG GLU 69 4.057 2.472 -11.448 1262 2HG GLU 69 1HG GLU 69 4.492 3.613 -12.720 1263 H THR 70 H THR 70 6.975 0.240 -11.564 1264 HA THR 70 HA THR 70 8.742 0.536 -13.874 1265 HB THR 70 HB THR 70 8.977 2.170 -11.341 1266 HG1 THR 70 1HG THR 70 8.224 2.744 -13.979 1267 1HG2 THR 70 1HG2 THR 70 10.736 2.975 -13.456 1268 2HG2 THR 70 2HG2 THR 70 11.059 1.308 -12.977 1269 3HG2 THR 70 3HG2 THR 70 11.099 2.596 -11.772 1270 H LYS 71 H LYS 71 9.940 0.836 -10.639 1271 HA LYS 71 HA LYS 71 11.377 -1.668 -10.932 1272 1HB LYS 71 2HB LYS 71 12.343 0.563 -10.067 1273 2HB LYS 71 1HB LYS 71 11.539 0.165 -8.555 1274 1HG LYS 71 2HG LYS 71 13.733 -0.596 -8.295 1275 2HG LYS 71 1HG LYS 71 12.791 -2.045 -8.651 1276 1HD LYS 71 2HD LYS 71 13.918 -0.639 -10.985 1277 2HD LYS 71 1HD LYS 71 15.090 -1.400 -9.907 1278 1HE LYS 71 2HE LYS 71 14.024 -3.532 -10.153 1279 2HE LYS 71 1HE LYS 71 12.685 -2.813 -11.047 1280 1HZ LYS 71 1HZ LYS 71 15.493 -2.765 -11.999 1281 2HZ LYS 71 2HZ LYS 71 14.104 -2.353 -12.872 1282 3HZ LYS 71 3HZ LYS 71 14.382 -3.964 -12.436 1283 H HIS 72 H HIS 72 8.378 -1.299 -10.194 1284 HA HIS 72 HA HIS 72 6.893 -2.664 -9.108 1285 1HB HIS 72 2HB HIS 72 9.426 -3.926 -8.061 1286 2HB HIS 72 1HB HIS 72 7.823 -4.473 -7.583 1287 HD1 HIS 72 1HD HIS 72 9.733 -3.925 -10.834 1288 HD2 HIS 72 2HD HIS 72 6.889 -6.452 -9.164 1289 HE1 HIS 72 1HE HIS 72 9.284 -5.677 -12.579 1290 HE2 HIS 72 2HE HIS 72 7.629 -7.247 -11.511 1291 H PHE 73 H PHE 73 9.395 -2.571 -6.620 1292 HA PHE 73 HA PHE 73 8.924 -0.408 -5.143 1293 1HB PHE 73 2HB PHE 73 7.110 -0.852 -3.581 1294 2HB PHE 73 1HB PHE 73 6.493 -0.880 -5.229 1295 HD1 PHE 73 1HD PHE 73 6.377 -3.234 -6.346 1296 HD2 PHE 73 2HD PHE 73 6.579 -2.569 -2.147 1297 HE1 PHE 73 1HE PHE 73 5.415 -5.464 -5.950 1298 HE2 PHE 73 2HE PHE 73 5.620 -4.799 -1.744 1299 HZ PHE 73 HZ PHE 73 5.036 -6.250 -3.647 1300 H ILE 74 H ILE 74 8.701 -1.157 -2.536 1301 HA ILE 74 HA ILE 74 10.212 -3.562 -2.056 1302 HB ILE 74 HB ILE 74 11.948 -1.888 -2.717 1303 1HG1 ILE 74 2HG1 ILE 74 11.815 -3.521 -0.280 1304 2HG1 ILE 74 1HG1 ILE 74 13.028 -3.498 -1.548 1305 1HG2 ILE 74 1HG2 ILE 74 11.497 -0.549 -0.078 1306 2HG2 ILE 74 2HG2 ILE 74 10.621 -0.018 -1.512 1307 3HG2 ILE 74 3HG2 ILE 74 12.384 0.029 -1.489 1308 1HD1 ILE 74 1HD1 ILE 74 14.417 -2.247 -0.334 1309 2HD1 ILE 74 2HD1 ILE 74 13.399 -2.702 1.032 1310 3HD1 ILE 74 3HD1 ILE 74 13.130 -1.168 0.205 1311 H TYR 75 H TYR 75 9.203 -4.392 -0.385 1312 HA TYR 75 HA TYR 75 8.137 -2.629 1.706 1313 1HB TYR 75 2HB TYR 75 6.896 -4.645 0.375 1314 2HB TYR 75 1HB TYR 75 7.515 -5.522 1.770 1315 HD1 TYR 75 1HD TYR 75 7.280 -3.340 3.824 1316 HD2 TYR 75 2HD TYR 75 4.585 -4.658 0.808 1317 HE1 TYR 75 1HE TYR 75 5.388 -2.536 5.173 1318 HE2 TYR 75 2HE TYR 75 2.685 -3.856 2.147 1319 HH TYR 75 HH TYR 75 2.645 -3.346 5.168 1320 H PHE 76 H PHE 76 8.850 -2.755 3.797 1321 HA PHE 76 HA PHE 76 10.413 -4.982 4.727 1322 1HB PHE 76 2HB PHE 76 12.361 -3.358 5.327 1323 2HB PHE 76 1HB PHE 76 12.277 -4.047 3.709 1324 HD1 PHE 76 1HD PHE 76 12.787 -1.117 5.500 1325 HD2 PHE 76 2HD PHE 76 10.836 -2.578 2.011 1326 HE1 PHE 76 1HE PHE 76 12.818 1.147 4.539 1327 HE2 PHE 76 2HE PHE 76 10.864 -0.317 1.044 1328 HZ PHE 76 HZ PHE 76 11.856 1.550 2.308 1329 H TYR 77 H TYR 77 11.029 -4.777 6.994 1330 HA TYR 77 HA TYR 77 9.443 -2.745 8.420 1331 1HB TYR 77 2HB TYR 77 8.185 -4.669 8.808 1332 2HB TYR 77 1HB TYR 77 9.604 -5.709 8.858 1333 HD1 TYR 77 1HD TYR 77 7.479 -3.425 10.773 1334 HD2 TYR 77 2HD TYR 77 10.923 -5.918 10.891 1335 HE1 TYR 77 1HE TYR 77 7.474 -3.305 13.230 1336 HE2 TYR 77 2HE TYR 77 10.928 -5.807 13.347 1337 HH TYR 77 HH TYR 77 8.317 -4.284 15.125 1338 H LEU 78 H LEU 78 10.791 -1.411 9.419 1339 HA LEU 78 HA LEU 78 13.480 -2.103 10.071 1340 1HB LEU 78 2HB LEU 78 11.782 0.283 10.795 1341 2HB LEU 78 1HB LEU 78 13.477 0.138 11.216 1342 HG LEU 78 HG LEU 78 12.863 1.530 9.152 1343 1HD1 LEU 78 1HD1 LEU 78 14.861 0.767 7.936 1344 2HD1 LEU 78 2HD1 LEU 78 14.911 -0.669 8.958 1345 3HD1 LEU 78 3HD1 LEU 78 15.139 0.928 9.669 1346 1HD2 LEU 78 1HD2 LEU 78 12.162 -1.212 8.239 1347 2HD2 LEU 78 2HD2 LEU 78 12.934 -0.116 7.092 1348 3HD2 LEU 78 3HD2 LEU 78 11.410 0.337 7.856 1349 H GLY 79 H GLY 79 14.316 -1.619 12.363 1350 1HA GLY 79 2HA GLY 79 13.918 -3.463 14.164 1351 2HA GLY 79 1HA GLY 79 14.074 -1.800 14.704 1352 H GLN 80 H GLN 80 11.586 -0.831 13.771 1353 HA GLN 80 HA GLN 80 9.497 -2.496 14.851 1354 1HB GLN 80 2HB GLN 80 10.434 -0.033 16.321 1355 2HB GLN 80 1HB GLN 80 8.834 -0.725 16.548 1356 1HG GLN 80 2HG GLN 80 9.775 -2.777 17.365 1357 2HG GLN 80 1HG GLN 80 11.407 -2.217 16.999 1358 1HE2 GLN 80 1HE2 GLN 80 9.091 0.012 18.238 1359 2HE2 GLN 80 2HE2 GLN 80 9.744 0.137 19.834 1360 H VAL 81 H VAL 81 9.922 -1.375 12.324 1361 HA VAL 81 HA VAL 81 7.469 0.138 12.022 1362 HB VAL 81 HB VAL 81 10.117 1.298 11.149 1363 1HG1 VAL 81 1HG1 VAL 81 8.420 3.245 10.574 1364 2HG1 VAL 81 2HG1 VAL 81 7.311 1.888 10.372 1365 3HG1 VAL 81 3HG1 VAL 81 8.791 1.967 9.415 1366 1HG2 VAL 81 1HG2 VAL 81 9.357 1.531 13.579 1367 2HG2 VAL 81 2HG2 VAL 81 8.085 2.579 12.951 1368 3HG2 VAL 81 3HG2 VAL 81 9.779 3.008 12.715 1369 H ALA 82 H ALA 82 7.068 0.597 9.643 1370 HA ALA 82 HA ALA 82 8.279 -1.462 7.932 1371 1HB ALA 82 1HB ALA 82 5.672 -1.569 8.947 1372 2HB ALA 82 2HB ALA 82 6.363 -2.560 7.662 1373 3HB ALA 82 3HB ALA 82 5.508 -1.070 7.263 1374 H ILE 83 H ILE 83 8.250 -0.974 5.677 1375 HA ILE 83 HA ILE 83 7.428 1.743 4.967 1376 HB ILE 83 HB ILE 83 10.005 0.953 3.795 1377 1HG1 ILE 83 2HG1 ILE 83 10.193 0.200 6.201 1378 2HG1 ILE 83 1HG1 ILE 83 11.360 1.422 5.709 1379 1HG2 ILE 83 1HG2 ILE 83 10.491 3.331 4.200 1380 2HG2 ILE 83 2HG2 ILE 83 8.951 3.484 5.046 1381 3HG2 ILE 83 3HG2 ILE 83 8.977 3.093 3.327 1382 1HD1 ILE 83 1HD1 ILE 83 10.220 1.671 7.983 1383 2HD1 ILE 83 2HD1 ILE 83 8.804 2.181 7.064 1384 3HD1 ILE 83 3HD1 ILE 83 10.310 3.089 6.940 1385 H LEU 84 H LEU 84 6.589 1.935 2.995 1386 HA LEU 84 HA LEU 84 6.864 -0.326 1.128 1387 1HB LEU 84 2HB LEU 84 4.673 -0.590 1.773 1388 2HB LEU 84 1HB LEU 84 4.448 1.118 2.097 1389 HG LEU 84 HG LEU 84 4.759 1.163 -0.600 1390 1HD1 LEU 84 1HD1 LEU 84 3.362 -1.423 0.073 1391 2HD1 LEU 84 2HD1 LEU 84 4.887 -1.248 -0.795 1392 3HD1 LEU 84 3HD1 LEU 84 3.389 -0.660 -1.517 1393 1HD2 LEU 84 1HD2 LEU 84 2.944 2.337 0.031 1394 2HD2 LEU 84 2HD2 LEU 84 2.496 1.175 1.280 1395 3HD2 LEU 84 3HD2 LEU 84 2.079 0.863 -0.405 1396 H LEU 85 H LEU 85 8.361 0.567 -0.230 1397 HA LEU 85 HA LEU 85 7.845 3.254 -1.283 1398 1HB LEU 85 2HB LEU 85 10.201 1.823 -0.582 1399 2HB LEU 85 1HB LEU 85 10.264 2.157 -2.302 1400 HG LEU 85 HG LEU 85 9.712 4.588 -1.655 1401 1HD1 LEU 85 1HD1 LEU 85 9.641 3.395 0.898 1402 2HD1 LEU 85 2HD1 LEU 85 9.475 5.102 0.486 1403 3HD1 LEU 85 3HD1 LEU 85 11.066 4.433 0.851 1404 1HD2 LEU 85 1HD2 LEU 85 12.380 4.064 -0.587 1405 2HD2 LEU 85 2HD2 LEU 85 11.883 5.005 -1.993 1406 3HD2 LEU 85 3HD2 LEU 85 12.056 3.254 -2.119 1407 H PHE 86 H PHE 86 7.224 3.618 -3.307 1408 HA PHE 86 HA PHE 86 7.806 1.958 -5.512 1409 1HB PHE 86 2HB PHE 86 5.981 0.631 -5.780 1410 2HB PHE 86 1HB PHE 86 5.862 0.803 -4.036 1411 HD1 PHE 86 1HD PHE 86 4.422 2.830 -3.206 1412 HD2 PHE 86 2HD PHE 86 4.157 1.103 -7.086 1413 HE1 PHE 86 1HE PHE 86 2.162 3.767 -3.468 1414 HE2 PHE 86 2HE PHE 86 1.898 2.036 -7.356 1415 HZ PHE 86 HZ PHE 86 0.897 3.371 -5.543 1416 H LYS 87 H LYS 87 7.837 3.292 -7.212 1417 HA LYS 87 HA LYS 87 6.573 5.884 -7.021 1418 1HB LYS 87 2HB LYS 87 7.667 5.483 -9.612 1419 2HB LYS 87 1HB LYS 87 8.289 6.486 -8.311 1420 1HG LYS 87 2HG LYS 87 9.286 4.253 -7.426 1421 2HG LYS 87 1HG LYS 87 9.049 3.710 -9.087 1422 1HD LYS 87 2HD LYS 87 10.609 6.151 -8.242 1423 2HD LYS 87 1HD LYS 87 11.305 4.605 -8.732 1424 1HE LYS 87 2HE LYS 87 9.398 5.955 -10.575 1425 2HE LYS 87 1HE LYS 87 11.032 6.601 -10.439 1426 1HZ LYS 87 1HZ LYS 87 10.136 4.305 -11.830 1427 2HZ LYS 87 2HZ LYS 87 11.306 3.864 -10.690 1428 3HZ LYS 87 3HZ LYS 87 11.661 5.038 -11.855 1429 H SER 88 H SER 88 5.290 6.764 -8.833 1430 HA SER 88 HA SER 88 3.443 4.717 -9.845 1431 1HB SER 88 2HB SER 88 3.085 7.447 -8.795 1432 2HB SER 88 1HB SER 88 2.113 7.058 -10.213 1433 HG SER 88 HG SER 88 0.922 6.410 -8.487 1434 H GLY 89 H GLY 89 6.018 5.799 -10.959 1435 1HA GLY 89 2HA GLY 89 6.831 6.729 -12.949 1436 2HA GLY 89 1HA GLY 89 5.820 5.437 -13.579 Start of MODEL 5 1 1H MET 1 1HT MET 1 -22.319 -3.166 3.593 2 2H MET 1 2HT MET 1 -21.818 -1.533 3.437 3 3H MET 1 3HT MET 1 -23.446 -1.969 3.109 4 HA MET 1 HA MET 1 -24.012 -2.101 5.234 5 1HB MET 1 2HB MET 1 -22.230 -3.892 5.533 6 2HB MET 1 1HB MET 1 -21.138 -2.599 6.011 7 1HG MET 1 2HG MET 1 -21.867 -3.262 8.054 8 2HG MET 1 1HG MET 1 -23.082 -2.037 7.692 9 1HE MET 1 1HE MET 1 -25.376 -2.846 6.250 10 2HE MET 1 2HE MET 1 -25.498 -2.433 7.961 11 3HE MET 1 3HE MET 1 -26.325 -3.861 7.337 12 H CYS 2 H CYS 2 -23.634 -0.727 7.231 13 HA CYS 2 HA CYS 2 -23.697 1.511 7.843 14 1HB CYS 2 2HB CYS 2 -21.364 0.293 8.382 15 2HB CYS 2 1HB CYS 2 -20.768 1.604 7.371 16 HG CYS 2 HG CYS 2 -22.534 2.445 9.745 17 H ASP 3 H ASP 3 -21.468 3.344 7.081 18 HA ASP 3 HA ASP 3 -21.711 3.833 4.273 19 1HB ASP 3 2HB ASP 3 -22.982 5.859 4.325 20 2HB ASP 3 1HB ASP 3 -23.921 4.640 5.182 21 H ARG 4 H ARG 4 -21.277 6.675 4.465 22 HA ARG 4 HA ARG 4 -18.514 6.774 4.657 23 1HB ARG 4 2HB ARG 4 -19.203 9.362 5.172 24 2HB ARG 4 1HB ARG 4 -19.146 8.643 3.569 25 1HG ARG 4 2HG ARG 4 -21.677 8.021 4.597 26 2HG ARG 4 1HG ARG 4 -21.382 9.713 5.005 27 1HD ARG 4 2HD ARG 4 -20.886 10.213 2.684 28 2HD ARG 4 1HD ARG 4 -21.077 8.514 2.254 29 HE ARG 4 HE ARG 4 -23.420 9.544 3.497 30 1HH1 ARG 4 1HH1 ARG 4 -21.661 9.493 0.490 31 2HH1 ARG 4 2HH1 ARG 4 -23.068 9.754 -0.487 32 1HH2 ARG 4 1HH2 ARG 4 -25.278 9.885 2.219 33 2HH2 ARG 4 2HH2 ARG 4 -25.124 9.977 0.496 34 H LYS 5 H LYS 5 -17.938 5.701 6.609 35 HA LYS 5 HA LYS 5 -18.326 7.327 9.029 36 1HB LYS 5 2HB LYS 5 -19.343 5.035 9.081 37 2HB LYS 5 1HB LYS 5 -17.723 4.369 8.918 38 1HG LYS 5 2HG LYS 5 -18.371 4.305 11.224 39 2HG LYS 5 1HG LYS 5 -17.090 5.503 11.023 40 1HD LYS 5 2HD LYS 5 -19.859 6.498 10.770 41 2HD LYS 5 1HD LYS 5 -19.365 5.972 12.380 42 1HE LYS 5 2HE LYS 5 -17.467 7.474 12.324 43 2HE LYS 5 1HE LYS 5 -17.857 7.947 10.671 44 1HZ LYS 5 1HZ LYS 5 -18.602 9.417 12.657 45 2HZ LYS 5 2HZ LYS 5 -19.872 8.307 12.779 46 3HZ LYS 5 3HZ LYS 5 -19.649 9.181 11.349 47 H ALA 6 H ALA 6 -16.369 8.198 7.460 48 HA ALA 6 HA ALA 6 -13.925 7.274 8.809 49 1HB ALA 6 1HB ALA 6 -12.694 7.836 6.705 50 2HB ALA 6 2HB ALA 6 -14.259 7.999 5.910 51 3HB ALA 6 3HB ALA 6 -13.771 6.445 6.584 52 H VAL 7 H VAL 7 -12.114 8.967 8.458 53 HA VAL 7 HA VAL 7 -13.246 11.665 8.807 54 HB VAL 7 HB VAL 7 -10.858 10.535 10.277 55 1HG1 VAL 7 1HG1 VAL 7 -10.333 12.704 10.459 56 2HG1 VAL 7 2HG1 VAL 7 -11.675 12.787 11.602 57 3HG1 VAL 7 3HG1 VAL 7 -11.926 13.230 9.913 58 1HG2 VAL 7 1HG2 VAL 7 -13.383 11.349 11.635 59 2HG2 VAL 7 2HG2 VAL 7 -12.162 10.179 12.134 60 3HG2 VAL 7 3HG2 VAL 7 -13.306 9.769 10.856 61 H ILE 8 H ILE 8 -12.780 11.652 6.430 62 HA ILE 8 HA ILE 8 -10.404 11.406 5.170 63 HB ILE 8 HB ILE 8 -12.811 12.967 4.706 64 1HG1 ILE 8 2HG1 ILE 8 -11.745 12.366 2.265 65 2HG1 ILE 8 1HG1 ILE 8 -10.974 11.162 3.292 66 1HG2 ILE 8 1HG2 ILE 8 -10.207 14.192 3.912 67 2HG2 ILE 8 2HG2 ILE 8 -11.678 14.964 4.505 68 3HG2 ILE 8 3HG2 ILE 8 -11.610 14.347 2.854 69 1HD1 ILE 8 1HD1 ILE 8 -13.172 10.425 4.063 70 2HD1 ILE 8 2HD1 ILE 8 -13.011 10.298 2.311 71 3HD1 ILE 8 3HD1 ILE 8 -13.934 11.623 3.018 72 H LYS 9 H LYS 9 -8.824 13.025 4.437 73 HA LYS 9 HA LYS 9 -8.350 15.318 6.129 74 1HB LYS 9 2HB LYS 9 -6.241 13.159 6.036 75 2HB LYS 9 1HB LYS 9 -6.230 14.631 6.997 76 1HG LYS 9 2HG LYS 9 -8.532 12.919 7.521 77 2HG LYS 9 1HG LYS 9 -6.981 12.156 7.876 78 1HD LYS 9 2HD LYS 9 -6.764 13.358 9.734 79 2HD LYS 9 1HD LYS 9 -6.976 14.860 8.832 80 1HE LYS 9 2HE LYS 9 -9.132 15.064 9.439 81 2HE LYS 9 1HE LYS 9 -9.443 13.336 9.280 82 1HZ LYS 9 1HZ LYS 9 -9.610 14.241 11.586 83 2HZ LYS 9 2HZ LYS 9 -7.940 14.511 11.550 84 3HZ LYS 9 3HZ LYS 9 -8.545 12.938 11.418 85 H ASN 10 H ASN 10 -8.033 13.568 3.286 86 HA ASN 10 HA ASN 10 -7.050 15.735 1.789 87 1HB ASN 10 2HB ASN 10 -4.975 14.628 3.105 88 2HB ASN 10 1HB ASN 10 -4.994 13.598 1.677 89 1HD2 ASN 10 1HD2 ASN 10 -6.287 16.384 0.659 90 2HD2 ASN 10 2HD2 ASN 10 -4.871 17.198 0.097 91 H ALA 11 H ALA 11 -8.711 15.226 0.403 92 HA ALA 11 HA ALA 11 -8.463 12.656 -1.022 93 1HB ALA 11 1HB ALA 11 -10.515 12.499 0.040 94 2HB ALA 11 2HB ALA 11 -10.951 13.102 -1.559 95 3HB ALA 11 3HB ALA 11 -10.879 14.210 -0.190 96 H ASP 12 H ASP 12 -7.010 13.585 -2.552 97 HA ASP 12 HA ASP 12 -7.764 15.862 -4.114 98 1HB ASP 12 2HB ASP 12 -5.497 13.989 -4.007 99 2HB ASP 12 1HB ASP 12 -5.866 14.593 -5.619 100 H MET 13 H MET 13 -9.757 13.831 -4.005 101 HA MET 13 HA MET 13 -9.950 13.161 -6.865 102 1HB MET 13 2HB MET 13 -9.596 11.064 -5.879 103 2HB MET 13 1HB MET 13 -10.550 11.466 -4.459 104 1HG MET 13 2HG MET 13 -12.527 10.978 -5.472 105 2HG MET 13 1HG MET 13 -11.934 11.387 -7.081 106 1HE MET 13 1HE MET 13 -11.100 9.255 -4.132 107 2HE MET 13 2HE MET 13 -10.655 7.674 -4.774 108 3HE MET 13 3HE MET 13 -12.356 8.097 -4.573 109 H SER 14 H SER 14 -12.293 12.650 -7.466 110 HA SER 14 HA SER 14 -13.878 14.921 -6.990 111 1HB SER 14 2HB SER 14 -13.905 12.954 -8.857 112 2HB SER 14 1HB SER 14 -15.278 12.463 -7.865 113 HG SER 14 HG SER 14 -15.994 13.876 -9.447 114 H GLU 15 H GLU 15 -15.292 15.411 -5.438 115 HA GLU 15 HA GLU 15 -15.515 14.353 -3.008 116 1HB GLU 15 2HB GLU 15 -18.067 15.192 -4.347 117 2HB GLU 15 1HB GLU 15 -17.536 15.491 -2.698 118 1HG GLU 15 2HG GLU 15 -15.726 16.676 -4.606 119 2HG GLU 15 1HG GLU 15 -17.381 17.230 -4.857 120 H GLU 16 H GLU 16 -18.274 13.663 -5.126 121 HA GLU 16 HA GLU 16 -19.382 11.573 -3.869 122 1HB GLU 16 2HB GLU 16 -19.751 10.624 -6.317 123 2HB GLU 16 1HB GLU 16 -20.548 12.093 -5.770 124 1HG GLU 16 2HG GLU 16 -19.704 13.084 -7.562 125 2HG GLU 16 1HG GLU 16 -18.131 12.984 -6.773 126 H MET 17 H MET 17 -16.435 11.444 -5.772 127 HA MET 17 HA MET 17 -16.185 8.610 -5.766 128 1HB MET 17 2HB MET 17 -14.348 10.894 -6.385 129 2HB MET 17 1HB MET 17 -13.697 9.266 -6.245 130 1HG MET 17 2HG MET 17 -16.016 9.218 -7.912 131 2HG MET 17 1HG MET 17 -14.909 10.469 -8.474 132 1HE MET 17 1HE MET 17 -13.348 6.238 -7.653 133 2HE MET 17 2HE MET 17 -15.098 6.439 -7.724 134 3HE MET 17 3HE MET 17 -14.160 7.319 -6.519 135 H GLN 18 H GLN 18 -14.891 11.188 -3.715 136 HA GLN 18 HA GLN 18 -13.229 9.527 -2.141 137 1HB GLN 18 2HB GLN 18 -14.138 11.755 -0.604 138 2HB GLN 18 1HB GLN 18 -12.563 11.496 -1.340 139 1HG GLN 18 2HG GLN 18 -14.195 12.263 -3.449 140 2HG GLN 18 1HG GLN 18 -14.689 13.292 -2.104 141 1HE2 GLN 18 1HE2 GLN 18 -11.695 12.020 -3.530 142 2HE2 GLN 18 2HE2 GLN 18 -10.821 13.507 -3.443 143 H GLN 19 H GLN 19 -16.603 10.466 -1.894 144 HA GLN 19 HA GLN 19 -16.973 9.390 0.730 145 1HB GLN 19 2HB GLN 19 -18.842 10.318 -1.439 146 2HB GLN 19 1HB GLN 19 -19.453 9.536 0.012 147 1HG GLN 19 2HG GLN 19 -17.778 12.036 -0.041 148 2HG GLN 19 1HG GLN 19 -19.530 11.981 0.150 149 1HE2 GLN 19 1HE2 GLN 19 -18.785 9.337 1.683 150 2HE2 GLN 19 2HE2 GLN 19 -18.479 9.924 3.280 151 H ASP 20 H ASP 20 -17.409 8.269 -2.565 152 HA ASP 20 HA ASP 20 -18.632 5.801 -1.820 153 1HB ASP 20 2HB ASP 20 -17.641 7.025 -4.341 154 2HB ASP 20 1HB ASP 20 -17.751 5.268 -4.296 155 H SER 21 H SER 21 -15.392 6.959 -2.314 156 HA SER 21 HA SER 21 -14.105 4.437 -2.482 157 1HB SER 21 2HB SER 21 -12.130 5.976 -1.546 158 2HB SER 21 1HB SER 21 -12.675 6.074 -3.218 159 HG SER 21 HG SER 21 -14.249 7.690 -2.011 160 H VAL 22 H VAL 22 -14.891 6.617 0.180 161 HA VAL 22 HA VAL 22 -13.538 5.181 2.204 162 HB VAL 22 HB VAL 22 -15.959 6.974 2.463 163 1HG1 VAL 22 1HG1 VAL 22 -14.359 7.096 4.757 164 2HG1 VAL 22 2HG1 VAL 22 -14.529 5.382 4.379 165 3HG1 VAL 22 3HG1 VAL 22 -15.964 6.383 4.604 166 1HG2 VAL 22 1HG2 VAL 22 -13.857 8.425 3.358 167 2HG2 VAL 22 2HG2 VAL 22 -14.492 8.511 1.714 168 3HG2 VAL 22 3HG2 VAL 22 -13.092 7.497 2.066 169 H GLU 23 H GLU 23 -16.961 5.211 1.206 170 HA GLU 23 HA GLU 23 -17.926 3.326 3.000 171 1HB GLU 23 2HB GLU 23 -18.780 3.729 0.124 172 2HB GLU 23 1HB GLU 23 -19.718 2.913 1.368 173 1HG GLU 23 2HG GLU 23 -19.426 5.198 2.627 174 2HG GLU 23 1HG GLU 23 -19.172 5.808 0.993 175 H CYS 24 H CYS 24 -16.264 2.898 -0.073 176 HA CYS 24 HA CYS 24 -16.570 0.068 -0.184 177 1HB CYS 24 2HB CYS 24 -15.188 2.140 -1.722 178 2HB CYS 24 1HB CYS 24 -14.274 0.638 -1.625 179 HG CYS 24 HG CYS 24 -16.559 1.093 -3.440 180 H ALA 25 H ALA 25 -14.175 2.265 1.152 181 HA ALA 25 HA ALA 25 -12.251 0.276 1.835 182 1HB ALA 25 1HB ALA 25 -12.048 2.904 1.711 183 2HB ALA 25 2HB ALA 25 -11.065 1.979 2.848 184 3HB ALA 25 3HB ALA 25 -12.521 2.803 3.407 185 H THR 26 H THR 26 -15.189 1.449 3.084 186 HA THR 26 HA THR 26 -14.939 0.464 5.757 187 HB THR 26 HB THR 26 -17.512 1.049 4.296 188 HG1 THR 26 1HG THR 26 -16.579 2.923 3.943 189 1HG2 THR 26 1HG2 THR 26 -18.494 1.268 6.289 190 2HG2 THR 26 2HG2 THR 26 -17.064 1.978 7.040 191 3HG2 THR 26 3HG2 THR 26 -17.174 0.229 6.825 192 H GLN 27 H GLN 27 -16.526 -0.607 2.774 193 HA GLN 27 HA GLN 27 -17.799 -2.881 3.691 194 1HB GLN 27 2HB GLN 27 -16.502 -2.256 1.045 195 2HB GLN 27 1HB GLN 27 -17.341 -3.775 1.326 196 1HG GLN 27 2HG GLN 27 -19.409 -2.741 1.537 197 2HG GLN 27 1HG GLN 27 -18.693 -1.161 1.853 198 1HE2 GLN 27 1HE2 GLN 27 -20.055 -0.308 0.222 199 2HE2 GLN 27 2HE2 GLN 27 -19.664 -0.499 -1.449 200 H ALA 28 H ALA 28 -14.474 -2.505 2.541 201 HA ALA 28 HA ALA 28 -13.758 -5.229 3.081 202 1HB ALA 28 1HB ALA 28 -12.531 -4.112 1.377 203 2HB ALA 28 2HB ALA 28 -11.417 -4.367 2.720 204 3HB ALA 28 3HB ALA 28 -12.127 -2.775 2.454 205 H LEU 29 H LEU 29 -13.827 -2.260 4.845 206 HA LEU 29 HA LEU 29 -11.991 -2.921 6.885 207 1HB LEU 29 2HB LEU 29 -14.164 -0.917 6.562 208 2HB LEU 29 1HB LEU 29 -13.512 -1.196 8.167 209 HG LEU 29 HG LEU 29 -11.631 -0.658 5.911 210 1HD1 LEU 29 1HD1 LEU 29 -13.720 1.090 6.598 211 2HD1 LEU 29 2HD1 LEU 29 -12.318 1.414 5.578 212 3HD1 LEU 29 3HD1 LEU 29 -12.248 1.750 7.309 213 1HD2 LEU 29 1HD2 LEU 29 -11.455 -1.024 8.707 214 2HD2 LEU 29 2HD2 LEU 29 -11.054 0.661 8.371 215 3HD2 LEU 29 3HD2 LEU 29 -10.162 -0.635 7.572 216 H GLU 30 H GLU 30 -15.505 -3.282 6.611 217 HA GLU 30 HA GLU 30 -15.594 -4.662 9.179 218 1HB GLU 30 2HB GLU 30 -17.559 -3.319 7.430 219 2HB GLU 30 1HB GLU 30 -18.151 -4.740 8.279 220 1HG GLU 30 2HG GLU 30 -17.279 -3.702 10.396 221 2HG GLU 30 1HG GLU 30 -17.005 -2.231 9.464 222 H LYS 31 H LYS 31 -15.204 -5.421 5.930 223 HA LYS 31 HA LYS 31 -16.569 -7.975 6.037 224 1HB LYS 31 2HB LYS 31 -15.319 -6.317 3.973 225 2HB LYS 31 1HB LYS 31 -14.988 -8.033 3.779 226 1HG LYS 31 2HG LYS 31 -17.073 -8.477 3.120 227 2HG LYS 31 1HG LYS 31 -17.786 -7.448 4.365 228 1HD LYS 31 2HD LYS 31 -17.719 -5.564 3.031 229 2HD LYS 31 1HD LYS 31 -16.409 -6.192 2.030 230 1HE LYS 31 2HE LYS 31 -18.604 -6.109 0.870 231 2HE LYS 31 1HE LYS 31 -17.898 -7.723 0.938 232 1HZ LYS 31 1HZ LYS 31 -19.439 -8.422 2.489 233 2HZ LYS 31 2HZ LYS 31 -20.374 -7.422 1.497 234 3HZ LYS 31 3HZ LYS 31 -19.826 -6.853 2.991 235 H TYR 32 H TYR 32 -13.459 -6.701 6.705 236 HA TYR 32 HA TYR 32 -12.521 -9.338 7.484 237 1HB TYR 32 2HB TYR 32 -10.536 -7.718 5.964 238 2HB TYR 32 1HB TYR 32 -10.667 -9.466 6.130 239 HD1 TYR 32 1HD TYR 32 -11.356 -10.679 4.282 240 HD2 TYR 32 2HD TYR 32 -12.524 -6.605 4.605 241 HE1 TYR 32 1HE TYR 32 -12.402 -10.805 2.060 242 HE2 TYR 32 2HE TYR 32 -13.572 -6.716 2.387 243 HH TYR 32 HH TYR 32 -14.006 -7.983 0.616 244 H ASN 33 H ASN 33 -11.494 -5.949 7.107 245 HA ASN 33 HA ASN 33 -10.818 -4.433 8.686 246 1HB ASN 33 2HB ASN 33 -12.259 -6.090 10.246 247 2HB ASN 33 1HB ASN 33 -10.656 -6.396 10.908 248 1HD2 ASN 33 1HD2 ASN 33 -9.547 -4.737 11.934 249 2HD2 ASN 33 2HD2 ASN 33 -10.339 -3.299 12.471 250 H ILE 34 H ILE 34 -9.188 -6.310 7.122 251 HA ILE 34 HA ILE 34 -6.743 -6.376 8.766 252 HB ILE 34 HB ILE 34 -7.508 -8.008 6.342 253 1HG1 ILE 34 2HG1 ILE 34 -7.542 -9.889 7.773 254 2HG1 ILE 34 1HG1 ILE 34 -6.712 -9.031 9.066 255 1HG2 ILE 34 1HG2 ILE 34 -5.298 -9.162 6.792 256 2HG2 ILE 34 2HG2 ILE 34 -4.883 -7.761 7.779 257 3HG2 ILE 34 3HG2 ILE 34 -5.216 -7.559 6.060 258 1HD1 ILE 34 1HD1 ILE 34 -9.339 -7.958 8.269 259 2HD1 ILE 34 2HD1 ILE 34 -8.622 -8.146 9.869 260 3HD1 ILE 34 3HD1 ILE 34 -9.339 -9.537 9.055 261 H GLU 35 H GLU 35 -6.088 -4.264 8.386 262 HA GLU 35 HA GLU 35 -5.986 -2.487 6.573 263 1HB GLU 35 2HB GLU 35 -3.505 -3.754 7.708 264 2HB GLU 35 1HB GLU 35 -3.431 -2.318 6.698 265 1HG GLU 35 2HG GLU 35 -3.726 -1.115 8.528 266 2HG GLU 35 1HG GLU 35 -5.371 -1.745 8.605 267 H LYS 36 H LYS 36 -3.252 -4.602 5.907 268 HA LYS 36 HA LYS 36 -2.954 -4.126 3.265 269 1HB LYS 36 2HB LYS 36 -2.456 -6.833 3.339 270 2HB LYS 36 1HB LYS 36 -1.313 -5.572 3.779 271 1HG LYS 36 2HG LYS 36 -1.382 -6.102 5.950 272 2HG LYS 36 1HG LYS 36 -3.130 -6.339 5.937 273 1HD LYS 36 2HD LYS 36 -2.953 -8.555 5.288 274 2HD LYS 36 1HD LYS 36 -1.336 -8.334 4.615 275 1HE LYS 36 2HE LYS 36 -0.472 -8.006 6.909 276 2HE LYS 36 1HE LYS 36 -2.086 -8.344 7.537 277 1HZ LYS 36 1HZ LYS 36 -0.123 -10.179 7.042 278 2HZ LYS 36 2HZ LYS 36 -1.190 -10.375 5.744 279 3HZ LYS 36 3HZ LYS 36 -1.755 -10.516 7.332 280 H ASP 37 H ASP 37 -5.076 -6.646 4.623 281 HA ASP 37 HA ASP 37 -6.077 -7.634 2.214 282 1HB ASP 37 2HB ASP 37 -6.773 -7.799 5.038 283 2HB ASP 37 1HB ASP 37 -8.196 -7.831 4.003 284 H ILE 38 H ILE 38 -7.664 -5.317 4.413 285 HA ILE 38 HA ILE 38 -9.840 -4.621 2.941 286 HB ILE 38 HB ILE 38 -8.123 -2.626 4.422 287 1HG1 ILE 38 2HG1 ILE 38 -10.393 -4.285 5.527 288 2HG1 ILE 38 1HG1 ILE 38 -8.697 -4.712 5.723 289 1HG2 ILE 38 1HG2 ILE 38 -9.690 -1.158 3.868 290 2HG2 ILE 38 2HG2 ILE 38 -10.871 -2.125 4.753 291 3HG2 ILE 38 3HG2 ILE 38 -10.611 -2.409 3.032 292 1HD1 ILE 38 1HD1 ILE 38 -9.997 -2.187 6.716 293 2HD1 ILE 38 2HD1 ILE 38 -8.306 -2.641 6.936 294 3HD1 ILE 38 3HD1 ILE 38 -9.582 -3.593 7.695 295 H ALA 39 H ALA 39 -6.632 -3.093 2.701 296 HA ALA 39 HA ALA 39 -7.195 -1.289 0.664 297 1HB ALA 39 1HB ALA 39 -5.119 -1.319 2.019 298 2HB ALA 39 2HB ALA 39 -4.819 -1.173 0.286 299 3HB ALA 39 3HB ALA 39 -4.577 -2.721 1.095 300 H ALA 40 H ALA 40 -6.272 -4.687 0.502 301 HA ALA 40 HA ALA 40 -5.827 -4.871 -2.259 302 1HB ALA 40 1HB ALA 40 -5.795 -6.618 -0.099 303 2HB ALA 40 2HB ALA 40 -5.394 -7.001 -1.773 304 3HB ALA 40 3HB ALA 40 -7.033 -7.267 -1.176 305 H HIS 41 H HIS 41 -8.712 -6.045 -0.522 306 HA HIS 41 HA HIS 41 -10.340 -6.451 -2.708 307 1HB HIS 41 2HB HIS 41 -11.795 -5.345 -0.421 308 2HB HIS 41 1HB HIS 41 -11.923 -6.930 -1.177 309 HD1 HIS 41 1HD HIS 41 -11.422 -5.760 1.988 310 HD2 HIS 41 2HD HIS 41 -9.142 -8.290 -0.392 311 HE1 HIS 41 1HE HIS 41 -9.993 -7.075 3.583 312 HE2 HIS 41 2HE HIS 41 -8.626 -8.607 2.123 313 H ILE 42 H ILE 42 -10.062 -3.503 -0.739 314 HA ILE 42 HA ILE 42 -11.931 -1.911 -1.978 315 HB ILE 42 HB ILE 42 -9.226 -1.070 -0.928 316 1HG1 ILE 42 2HG1 ILE 42 -11.941 -0.978 0.407 317 2HG1 ILE 42 1HG1 ILE 42 -10.749 -2.245 0.681 318 1HG2 ILE 42 1HG2 ILE 42 -10.002 0.690 -2.304 319 2HG2 ILE 42 2HG2 ILE 42 -10.375 1.157 -0.645 320 3HG2 ILE 42 3HG2 ILE 42 -11.649 0.537 -1.695 321 1HD1 ILE 42 1HD1 ILE 42 -9.435 -0.919 1.958 322 2HD1 ILE 42 2HD1 ILE 42 -10.981 -0.128 2.260 323 3HD1 ILE 42 3HD1 ILE 42 -9.862 0.548 1.076 324 H LYS 43 H LYS 43 -8.489 -2.202 -2.845 325 HA LYS 43 HA LYS 43 -8.589 -0.522 -5.089 326 1HB LYS 43 2HB LYS 43 -6.722 -2.633 -4.111 327 2HB LYS 43 1HB LYS 43 -6.541 -2.063 -5.764 328 1HG LYS 43 2HG LYS 43 -6.481 -0.334 -3.299 329 2HG LYS 43 1HG LYS 43 -5.076 -0.868 -4.221 330 1HD LYS 43 2HD LYS 43 -5.406 1.220 -5.118 331 2HD LYS 43 1HD LYS 43 -6.365 0.234 -6.224 332 1HE LYS 43 2HE LYS 43 -8.322 1.100 -5.508 333 2HE LYS 43 1HE LYS 43 -7.780 1.210 -3.835 334 1HZ LYS 43 1HZ LYS 43 -6.424 3.152 -4.515 335 2HZ LYS 43 2HZ LYS 43 -8.089 3.403 -4.673 336 3HZ LYS 43 3HZ LYS 43 -7.149 3.089 -6.043 337 H LYS 44 H LYS 44 -8.167 -4.062 -5.211 338 HA LYS 44 HA LYS 44 -8.563 -4.665 -7.753 339 1HB LYS 44 2HB LYS 44 -8.377 -6.455 -6.201 340 2HB LYS 44 1HB LYS 44 -9.864 -5.996 -5.385 341 1HG LYS 44 2HG LYS 44 -10.655 -7.738 -6.592 342 2HG LYS 44 1HG LYS 44 -10.879 -6.463 -7.793 343 1HD LYS 44 2HD LYS 44 -8.496 -8.308 -7.609 344 2HD LYS 44 1HD LYS 44 -9.825 -8.459 -8.761 345 1HE LYS 44 2HE LYS 44 -8.222 -5.933 -8.572 346 2HE LYS 44 1HE LYS 44 -7.647 -7.302 -9.522 347 1HZ LYS 44 1HZ LYS 44 -10.237 -5.897 -9.895 348 2HZ LYS 44 2HZ LYS 44 -9.704 -7.223 -10.800 349 3HZ LYS 44 3HZ LYS 44 -8.877 -5.751 -10.891 350 H GLU 45 H GLU 45 -11.277 -3.976 -5.576 351 HA GLU 45 HA GLU 45 -13.293 -4.177 -7.533 352 1HB GLU 45 2HB GLU 45 -13.080 -3.224 -4.763 353 2HB GLU 45 1HB GLU 45 -14.323 -2.414 -5.707 354 1HG GLU 45 2HG GLU 45 -15.517 -4.375 -6.051 355 2HG GLU 45 1HG GLU 45 -14.132 -5.398 -5.667 356 H PHE 46 H PHE 46 -12.150 -1.188 -5.957 357 HA PHE 46 HA PHE 46 -13.277 0.699 -7.520 358 1HB PHE 46 2HB PHE 46 -10.896 0.553 -5.877 359 2HB PHE 46 1HB PHE 46 -10.651 1.635 -7.243 360 HD1 PHE 46 1HD PHE 46 -12.428 1.087 -4.120 361 HD2 PHE 46 2HD PHE 46 -12.015 3.645 -7.496 362 HE1 PHE 46 1HE PHE 46 -13.650 2.856 -2.924 363 HE2 PHE 46 2HE PHE 46 -13.235 5.419 -6.305 364 HZ PHE 46 HZ PHE 46 -14.054 5.026 -4.016 365 H ASP 47 H ASP 47 -10.435 -1.220 -8.340 366 HA ASP 47 HA ASP 47 -9.824 0.136 -10.752 367 1HB ASP 47 2HB ASP 47 -8.334 -1.454 -9.373 368 2HB ASP 47 1HB ASP 47 -9.165 -2.754 -10.223 369 H LYS 48 H LYS 48 -11.729 -2.757 -10.021 370 HA LYS 48 HA LYS 48 -12.516 -2.950 -12.832 371 1HB LYS 48 2HB LYS 48 -12.421 -4.830 -10.546 372 2HB LYS 48 1HB LYS 48 -13.740 -5.058 -11.687 373 1HG LYS 48 2HG LYS 48 -11.110 -4.689 -12.924 374 2HG LYS 48 1HG LYS 48 -11.267 -6.140 -11.934 375 1HD LYS 48 2HD LYS 48 -11.859 -6.553 -14.284 376 2HD LYS 48 1HD LYS 48 -13.224 -6.824 -13.198 377 1HE LYS 48 2HE LYS 48 -14.138 -5.630 -14.987 378 2HE LYS 48 1HE LYS 48 -13.892 -4.414 -13.733 379 1HZ LYS 48 1HZ LYS 48 -13.129 -3.534 -15.793 380 2HZ LYS 48 2HZ LYS 48 -12.184 -4.900 -16.110 381 3HZ LYS 48 3HZ LYS 48 -11.762 -3.857 -14.847 382 H LYS 49 H LYS 49 -13.509 -1.131 -10.438 383 HA LYS 49 HA LYS 49 -16.367 -1.552 -10.985 384 1HB LYS 49 2HB LYS 49 -15.046 -1.440 -8.509 385 2HB LYS 49 1HB LYS 49 -15.895 0.092 -8.662 386 1HG LYS 49 2HG LYS 49 -17.861 -1.549 -9.414 387 2HG LYS 49 1HG LYS 49 -16.959 -2.648 -8.368 388 1HD LYS 49 2HD LYS 49 -17.884 -1.687 -6.589 389 2HD LYS 49 1HD LYS 49 -17.118 -0.160 -7.033 390 1HE LYS 49 2HE LYS 49 -19.721 -0.326 -6.772 391 2HE LYS 49 1HE LYS 49 -19.004 0.649 -8.054 392 1HZ LYS 49 1HZ LYS 49 -19.312 -1.981 -8.983 393 2HZ LYS 49 2HZ LYS 49 -20.065 -0.574 -9.542 394 3HZ LYS 49 3HZ LYS 49 -20.783 -1.483 -8.310 395 H TYR 50 H TYR 50 -13.714 0.657 -11.051 396 HA TYR 50 HA TYR 50 -15.540 2.775 -11.981 397 1HB TYR 50 2HB TYR 50 -12.914 3.091 -10.514 398 2HB TYR 50 1HB TYR 50 -13.856 4.418 -11.187 399 HD1 TYR 50 1HD TYR 50 -15.716 5.313 -10.018 400 HD2 TYR 50 2HD TYR 50 -13.856 1.750 -8.626 401 HE1 TYR 50 1HE TYR 50 -16.990 5.473 -7.921 402 HE2 TYR 50 2HE TYR 50 -15.126 1.900 -6.528 403 HH TYR 50 HH TYR 50 -16.868 4.695 -5.627 404 H ASN 51 H ASN 51 -12.053 1.977 -12.157 405 HA ASN 51 HA ASN 51 -11.757 1.376 -14.766 406 1HB ASN 51 2HB ASN 51 -12.962 3.624 -15.103 407 2HB ASN 51 1HB ASN 51 -11.450 4.371 -14.595 408 1HD2 ASN 51 1HD2 ASN 51 -9.942 4.707 -16.070 409 2HD2 ASN 51 2HD2 ASN 51 -9.937 4.054 -17.670 410 HA PRO 52 HA PRO 52 -7.841 0.892 -12.602 411 1HB PRO 52 2HB PRO 52 -7.092 0.316 -15.436 412 2HB PRO 52 1HB PRO 52 -6.669 -0.560 -13.961 413 1HG PRO 52 2HG PRO 52 -8.566 -1.473 -15.596 414 2HG PRO 52 1HG PRO 52 -8.728 -1.611 -13.836 415 1HD PRO 52 2HD PRO 52 -10.121 0.200 -15.728 416 2HD PRO 52 1HD PRO 52 -10.671 -0.453 -14.173 417 H THR 53 H THR 53 -5.550 3.457 -13.492 418 HA THR 53 HA THR 53 -6.171 0.872 -12.238 419 HB THR 53 HB THR 53 -3.557 2.238 -12.838 420 HG1 THR 53 1HG THR 53 -4.928 0.076 -13.766 421 1HG2 THR 53 1HG2 THR 53 -2.452 0.344 -11.655 422 2HG2 THR 53 2HG2 THR 53 -4.009 -0.023 -10.913 423 3HG2 THR 53 3HG2 THR 53 -3.226 1.525 -10.601 424 H TRP 54 H TRP 54 -6.284 0.729 -10.047 425 HA TRP 54 HA TRP 54 -6.137 3.276 -8.598 426 1HB TRP 54 2HB TRP 54 -7.729 0.779 -8.021 427 2HB TRP 54 1HB TRP 54 -7.673 2.189 -6.965 428 HD1 TRP 54 HD TRP 54 -8.827 1.199 -10.512 429 HE1 TRP 54 1HE TRP 54 -10.702 2.808 -11.219 430 HE3 TRP 54 3HE TRP 54 -8.731 4.368 -6.505 431 HZ2 TRP 54 2HZ TRP 54 -11.982 5.115 -10.211 432 HZ3 TRP 54 3HZ TRP 54 -10.312 6.253 -6.454 433 HH2 TRP 54 HH TRP 54 -11.904 6.617 -8.268 434 H HIS 55 H HIS 55 -5.054 3.508 -6.753 435 HA HIS 55 HA HIS 55 -3.627 1.218 -5.605 436 1HB HIS 55 2HB HIS 55 -2.203 3.839 -5.760 437 2HB HIS 55 1HB HIS 55 -1.541 2.207 -5.717 438 HD1 HIS 55 1HD HIS 55 -0.302 1.843 -7.823 439 HD2 HIS 55 2HD HIS 55 -3.842 3.924 -8.455 440 HE1 HIS 55 1HE HIS 55 -0.453 2.171 -10.312 441 HE2 HIS 55 2HE HIS 55 -2.638 3.371 -10.677 442 H CYS 56 H CYS 56 -4.656 1.107 -3.689 443 HA CYS 56 HA CYS 56 -4.960 3.613 -2.164 444 1HB CYS 56 2HB CYS 56 -7.140 3.145 -2.161 445 2HB CYS 56 1HB CYS 56 -6.863 1.553 -2.856 446 HG CYS 56 HG CYS 56 -7.036 2.148 0.184 447 H ILE 57 H ILE 57 -5.133 3.329 0.169 448 HA ILE 57 HA ILE 57 -3.550 1.090 1.235 449 HB ILE 57 HB ILE 57 -3.216 3.918 2.231 450 1HG1 ILE 57 2HG1 ILE 57 -2.463 3.790 -0.118 451 2HG1 ILE 57 1HG1 ILE 57 -1.120 4.040 0.992 452 1HG2 ILE 57 1HG2 ILE 57 -1.094 1.910 2.568 453 2HG2 ILE 57 2HG2 ILE 57 -2.594 1.580 3.434 454 3HG2 ILE 57 3HG2 ILE 57 -1.733 3.094 3.708 455 1HD1 ILE 57 1HD1 ILE 57 -1.874 1.327 -0.041 456 2HD1 ILE 57 2HD1 ILE 57 -0.375 1.825 0.745 457 3HD1 ILE 57 3HD1 ILE 57 -0.752 2.396 -0.881 458 H VAL 58 H VAL 58 -3.825 0.931 3.667 459 HA VAL 58 HA VAL 58 -6.092 2.240 4.835 460 HB VAL 58 HB VAL 58 -7.394 0.701 3.586 461 1HG1 VAL 58 1HG1 VAL 58 -5.125 -1.006 3.935 462 2HG1 VAL 58 2HG1 VAL 58 -6.478 -1.163 2.814 463 3HG1 VAL 58 3HG1 VAL 58 -6.590 -1.852 4.434 464 1HG2 VAL 58 1HG2 VAL 58 -7.430 0.777 6.340 465 2HG2 VAL 58 2HG2 VAL 58 -7.463 -0.950 5.983 466 3HG2 VAL 58 3HG2 VAL 58 -8.694 0.115 5.305 467 H GLY 59 H GLY 59 -5.210 2.675 6.742 468 1HA GLY 59 2HA GLY 59 -4.254 0.429 8.366 469 2HA GLY 59 1HA GLY 59 -3.205 1.828 8.165 470 H ARG 60 H ARG 60 -3.350 3.332 9.705 471 HA ARG 60 HA ARG 60 -5.559 4.572 10.661 472 1HB ARG 60 2HB ARG 60 -6.215 3.479 12.652 473 2HB ARG 60 1HB ARG 60 -6.199 2.264 11.383 474 1HG ARG 60 2HG ARG 60 -4.580 1.072 12.361 475 2HG ARG 60 1HG ARG 60 -3.696 2.506 12.885 476 1HD ARG 60 2HD ARG 60 -5.226 2.823 14.728 477 2HD ARG 60 1HD ARG 60 -6.223 1.480 14.171 478 HE ARG 60 HE ARG 60 -3.433 1.018 14.970 479 1HH1 ARG 60 1HH1 ARG 60 -6.845 0.460 15.385 480 2HH1 ARG 60 2HH1 ARG 60 -6.628 -0.845 16.503 481 1HH2 ARG 60 1HH2 ARG 60 -3.135 -0.698 16.447 482 2HH2 ARG 60 2HH2 ARG 60 -4.519 -1.503 17.108 483 H ASN 61 H ASN 61 -2.318 3.644 10.955 484 HA ASN 61 HA ASN 61 -1.702 6.062 12.395 485 1HB ASN 61 2HB ASN 61 -1.771 3.495 13.771 486 2HB ASN 61 1HB ASN 61 -0.187 4.260 13.871 487 1HD2 ASN 61 1HD2 ASN 61 0.105 5.723 15.394 488 2HD2 ASN 61 2HD2 ASN 61 -1.143 6.527 16.278 489 H PHE 62 H PHE 62 -1.112 5.209 9.790 490 HA PHE 62 HA PHE 62 1.757 4.588 9.923 491 1HB PHE 62 2HB PHE 62 1.609 3.792 7.682 492 2HB PHE 62 1HB PHE 62 0.237 3.114 8.550 493 HD1 PHE 62 1HD PHE 62 -1.446 5.677 8.529 494 HD2 PHE 62 2HD PHE 62 0.719 3.618 5.497 495 HE1 PHE 62 1HE PHE 62 -2.969 6.591 6.826 496 HE2 PHE 62 2HE PHE 62 -0.800 4.529 3.790 497 HZ PHE 62 HZ PHE 62 -2.646 6.018 4.453 498 H GLY 63 H GLY 63 2.617 5.530 7.527 499 1HA GLY 63 2HA GLY 63 1.985 8.406 7.516 500 2HA GLY 63 1HA GLY 63 3.657 7.879 7.669 501 H SER 64 H SER 64 0.868 8.000 5.564 502 HA SER 64 HA SER 64 2.271 6.848 3.333 503 1HB SER 64 2HB SER 64 0.211 7.396 2.060 504 2HB SER 64 1HB SER 64 -0.114 6.468 3.524 505 HG SER 64 HG SER 64 -0.949 8.237 4.480 506 H TYR 65 H TYR 65 3.402 7.829 1.833 507 HA TYR 65 HA TYR 65 3.112 10.713 1.416 508 1HB TYR 65 2HB TYR 65 5.086 10.051 2.975 509 2HB TYR 65 1HB TYR 65 5.846 9.462 1.501 510 HD1 TYR 65 1HD TYR 65 6.847 10.956 -0.037 511 HD2 TYR 65 2HD TYR 65 4.487 12.477 3.160 512 HE1 TYR 65 1HE TYR 65 7.644 13.229 -0.538 513 HE2 TYR 65 2HE TYR 65 5.275 14.752 2.668 514 HH TYR 65 HH TYR 65 6.207 16.008 0.766 515 H VAL 66 H VAL 66 1.896 9.641 -0.394 516 HA VAL 66 HA VAL 66 3.644 8.601 -2.503 517 HB VAL 66 HB VAL 66 1.404 8.151 -3.662 518 1HG1 VAL 66 1HG1 VAL 66 1.286 6.036 -2.716 519 2HG1 VAL 66 2HG1 VAL 66 1.677 6.626 -1.100 520 3HG1 VAL 66 3HG1 VAL 66 2.933 6.539 -2.335 521 1HG2 VAL 66 1HG2 VAL 66 -0.566 8.075 -2.316 522 2HG2 VAL 66 2HG2 VAL 66 0.129 9.686 -2.149 523 3HG2 VAL 66 3HG2 VAL 66 0.341 8.497 -0.864 524 H THR 67 H THR 67 3.088 9.274 -4.756 525 HA THR 67 HA THR 67 2.577 12.176 -4.854 526 HB THR 67 HB THR 67 4.103 10.700 -6.974 527 HG1 THR 67 1HG THR 67 5.112 11.605 -4.490 528 1HG2 THR 67 1HG2 THR 67 3.774 12.894 -7.635 529 2HG2 THR 67 2HG2 THR 67 5.382 12.919 -6.911 530 3HG2 THR 67 3HG2 THR 67 3.996 13.523 -6.003 531 H HIS 68 H HIS 68 0.280 11.299 -4.945 532 HA HIS 68 HA HIS 68 -0.682 9.912 -7.189 533 1HB HIS 68 2HB HIS 68 -2.855 10.469 -6.438 534 2HB HIS 68 1HB HIS 68 -1.874 10.335 -4.981 535 HD1 HIS 68 1HD HIS 68 -1.221 12.599 -3.796 536 HD2 HIS 68 2HD HIS 68 -3.990 12.943 -6.875 537 HE1 HIS 68 1HE HIS 68 -2.246 14.880 -3.526 538 HE2 HIS 68 2HE HIS 68 -3.949 15.051 -5.376 539 H GLU 69 H GLU 69 -2.755 11.367 -8.228 540 HA GLU 69 HA GLU 69 -2.109 13.931 -9.173 541 1HB GLU 69 2HB GLU 69 -1.788 12.960 -11.643 542 2HB GLU 69 1HB GLU 69 -0.430 13.292 -10.576 543 1HG GLU 69 2HG GLU 69 -0.812 10.808 -9.833 544 2HG GLU 69 1HG GLU 69 -1.598 10.687 -11.407 545 H THR 70 H THR 70 -3.118 13.093 -11.946 546 HA THR 70 HA THR 70 -5.188 13.405 -12.917 547 HB THR 70 HB THR 70 -6.315 11.108 -11.478 548 HG1 THR 70 1HG THR 70 -4.738 9.670 -12.265 549 1HG2 THR 70 1HG2 THR 70 -6.041 12.050 -14.225 550 2HG2 THR 70 2HG2 THR 70 -7.317 11.097 -13.467 551 3HG2 THR 70 3HG2 THR 70 -5.846 10.308 -14.034 552 H LYS 71 H LYS 71 -6.843 11.760 -10.372 553 HA LYS 71 HA LYS 71 -7.567 13.818 -8.670 554 1HB LYS 71 2HB LYS 71 -9.956 14.166 -9.679 555 2HB LYS 71 1HB LYS 71 -8.605 15.128 -10.261 556 1HG LYS 71 2HG LYS 71 -9.668 14.485 -12.209 557 2HG LYS 71 1HG LYS 71 -8.369 13.301 -12.063 558 1HD LYS 71 2HD LYS 71 -9.798 11.587 -11.612 559 2HD LYS 71 1HD LYS 71 -10.962 12.630 -10.793 560 1HE LYS 71 2HE LYS 71 -10.830 13.404 -13.526 561 2HE LYS 71 1HE LYS 71 -11.027 11.653 -13.456 562 1HZ LYS 71 1HZ LYS 71 -13.159 12.789 -13.489 563 2HZ LYS 71 2HZ LYS 71 -12.757 13.640 -12.084 564 3HZ LYS 71 3HZ LYS 71 -12.951 11.961 -12.028 565 H HIS 72 H HIS 72 -7.214 10.896 -8.950 566 HA HIS 72 HA HIS 72 -9.761 10.043 -7.737 567 1HB HIS 72 2HB HIS 72 -7.799 8.385 -9.336 568 2HB HIS 72 1HB HIS 72 -9.226 7.753 -8.521 569 HD1 HIS 72 1HD HIS 72 -11.573 8.666 -9.467 570 HD2 HIS 72 2HD HIS 72 -8.240 9.345 -11.853 571 HE1 HIS 72 1HE HIS 72 -12.480 9.217 -11.745 572 HE2 HIS 72 2HE HIS 72 -10.447 9.696 -13.155 573 H PHE 73 H PHE 73 -8.014 11.257 -6.109 574 HA PHE 73 HA PHE 73 -6.873 9.027 -4.565 575 1HB PHE 73 2HB PHE 73 -4.916 10.041 -5.272 576 2HB PHE 73 1HB PHE 73 -5.644 11.641 -5.340 577 HD1 PHE 73 1HD PHE 73 -3.551 9.467 -3.497 578 HD2 PHE 73 2HD PHE 73 -6.257 12.722 -3.078 579 HE1 PHE 73 1HE PHE 73 -2.555 10.007 -1.313 580 HE2 PHE 73 2HE PHE 73 -5.267 13.271 -0.893 581 HZ PHE 73 HZ PHE 73 -3.412 11.912 -0.009 582 H ILE 74 H ILE 74 -7.646 8.873 -2.564 583 HA ILE 74 HA ILE 74 -8.703 11.286 -1.266 584 HB ILE 74 HB ILE 74 -10.574 9.933 -2.238 585 1HG1 ILE 74 2HG1 ILE 74 -10.297 10.477 0.705 586 2HG1 ILE 74 1HG1 ILE 74 -11.206 11.374 -0.503 587 1HG2 ILE 74 1HG2 ILE 74 -9.155 7.831 -0.855 588 2HG2 ILE 74 2HG2 ILE 74 -10.437 7.718 -2.062 589 3HG2 ILE 74 3HG2 ILE 74 -10.846 7.897 -0.355 590 1HD1 ILE 74 1HD1 ILE 74 -12.967 10.388 0.460 591 2HD1 ILE 74 2HD1 ILE 74 -11.996 9.083 1.143 592 3HD1 ILE 74 3HD1 ILE 74 -12.514 9.008 -0.542 593 H TYR 75 H TYR 75 -8.282 11.467 0.860 594 HA TYR 75 HA TYR 75 -7.007 9.178 2.207 595 1HB TYR 75 2HB TYR 75 -5.484 11.157 1.511 596 2HB TYR 75 1HB TYR 75 -6.277 12.036 2.813 597 HD1 TYR 75 1HD TYR 75 -5.443 11.880 4.976 598 HD2 TYR 75 2HD TYR 75 -4.411 8.878 2.144 599 HE1 TYR 75 1HE TYR 75 -3.877 10.897 6.597 600 HE2 TYR 75 2HE TYR 75 -2.844 7.885 3.758 601 HH TYR 75 HH TYR 75 -2.471 9.234 7.023 602 H PHE 76 H PHE 76 -7.899 8.623 4.113 603 HA PHE 76 HA PHE 76 -9.236 10.557 5.776 604 1HB PHE 76 2HB PHE 76 -11.381 9.116 5.760 605 2HB PHE 76 1HB PHE 76 -11.121 10.238 4.429 606 HD1 PHE 76 1HD PHE 76 -9.740 9.153 2.410 607 HD2 PHE 76 2HD PHE 76 -12.101 7.008 5.227 608 HE1 PHE 76 1HE PHE 76 -9.967 7.304 0.804 609 HE2 PHE 76 2HE PHE 76 -12.332 5.153 3.627 610 HZ PHE 76 HZ PHE 76 -11.264 5.300 1.412 611 H TYR 77 H TYR 77 -10.206 9.492 7.733 612 HA TYR 77 HA TYR 77 -8.824 6.985 8.412 613 1HB TYR 77 2HB TYR 77 -7.476 8.615 9.477 614 2HB TYR 77 1HB TYR 77 -8.872 9.561 9.979 615 HD1 TYR 77 1HD TYR 77 -6.793 6.638 10.713 616 HD2 TYR 77 2HD TYR 77 -10.172 8.919 11.933 617 HE1 TYR 77 1HE TYR 77 -6.768 5.498 12.892 618 HE2 TYR 77 2HE TYR 77 -10.156 7.785 14.116 619 HH TYR 77 HH TYR 77 -8.652 6.566 15.550 620 H LEU 78 H LEU 78 -10.687 5.761 8.255 621 HA LEU 78 HA LEU 78 -13.231 6.369 9.072 622 1HB LEU 78 2HB LEU 78 -11.784 3.730 9.142 623 2HB LEU 78 1HB LEU 78 -13.498 3.886 9.472 624 HG LEU 78 HG LEU 78 -12.798 3.166 7.120 625 1HD1 LEU 78 1HD1 LEU 78 -15.048 3.683 7.433 626 2HD1 LEU 78 2HD1 LEU 78 -14.554 4.718 6.093 627 3HD1 LEU 78 3HD1 LEU 78 -14.714 5.391 7.715 628 1HD2 LEU 78 1HD2 LEU 78 -12.453 5.205 5.619 629 2HD2 LEU 78 2HD2 LEU 78 -11.069 4.642 6.556 630 3HD2 LEU 78 3HD2 LEU 78 -11.980 6.054 7.090 631 H GLY 79 H GLY 79 -14.369 5.117 10.964 632 1HA GLY 79 2HA GLY 79 -14.140 6.318 13.302 633 2HA GLY 79 1HA GLY 79 -14.472 4.594 13.244 634 H GLN 80 H GLN 80 -12.181 3.414 12.625 635 HA GLN 80 HA GLN 80 -10.087 4.501 14.353 636 1HB GLN 80 2HB GLN 80 -11.821 2.536 15.257 637 2HB GLN 80 1HB GLN 80 -10.410 1.630 14.732 638 1HG GLN 80 2HG GLN 80 -9.400 2.135 16.629 639 2HG GLN 80 1HG GLN 80 -9.464 3.844 16.198 640 1HE2 GLN 80 1HE2 GLN 80 -12.041 1.561 17.017 641 2HE2 GLN 80 2HE2 GLN 80 -12.640 2.451 18.372 642 H VAL 81 H VAL 81 -10.337 4.225 11.487 643 HA VAL 81 HA VAL 81 -7.893 2.705 11.008 644 HB VAL 81 HB VAL 81 -10.383 2.273 9.351 645 1HG1 VAL 81 1HG1 VAL 81 -8.189 2.274 8.129 646 2HG1 VAL 81 2HG1 VAL 81 -9.099 0.766 8.031 647 3HG1 VAL 81 3HG1 VAL 81 -7.718 0.893 9.119 648 1HG2 VAL 81 1HG2 VAL 81 -9.505 -0.168 10.312 649 2HG2 VAL 81 2HG2 VAL 81 -10.897 0.745 10.892 650 3HG2 VAL 81 3HG2 VAL 81 -9.335 0.918 11.693 651 H ALA 82 H ALA 82 -7.159 3.056 8.669 652 HA ALA 82 HA ALA 82 -7.903 5.746 7.741 653 1HB ALA 82 1HB ALA 82 -5.782 5.767 9.082 654 2HB ALA 82 2HB ALA 82 -5.626 6.371 7.433 655 3HB ALA 82 3HB ALA 82 -5.062 4.749 7.834 656 H ILE 83 H ILE 83 -7.527 6.137 5.495 657 HA ILE 83 HA ILE 83 -6.849 3.815 3.860 658 HB ILE 83 HB ILE 83 -9.210 5.257 2.866 659 1HG1 ILE 83 2HG1 ILE 83 -9.607 5.021 5.373 660 2HG1 ILE 83 1HG1 ILE 83 -10.818 4.294 4.324 661 1HG2 ILE 83 1HG2 ILE 83 -7.871 2.972 2.228 662 2HG2 ILE 83 2HG2 ILE 83 -9.510 3.366 1.708 663 3HG2 ILE 83 3HG2 ILE 83 -9.255 2.343 3.122 664 1HD1 ILE 83 1HD1 ILE 83 -10.201 2.151 4.882 665 2HD1 ILE 83 2HD1 ILE 83 -9.941 3.010 6.400 666 3HD1 ILE 83 3HD1 ILE 83 -8.572 2.628 5.357 667 H LEU 84 H LEU 84 -5.463 4.416 2.358 668 HA LEU 84 HA LEU 84 -5.503 7.207 1.418 669 1HB LEU 84 2HB LEU 84 -3.417 7.052 2.335 670 2HB LEU 84 1HB LEU 84 -3.314 5.321 2.084 671 HG LEU 84 HG LEU 84 -2.947 5.805 -0.371 672 1HD1 LEU 84 1HD1 LEU 84 -2.114 8.548 0.387 673 2HD1 LEU 84 2HD1 LEU 84 -3.828 8.253 0.097 674 3HD1 LEU 84 3HD1 LEU 84 -2.648 7.912 -1.169 675 1HD2 LEU 84 1HD2 LEU 84 -1.187 5.723 1.759 676 2HD2 LEU 84 2HD2 LEU 84 -0.681 7.146 0.848 677 3HD2 LEU 84 3HD2 LEU 84 -0.772 5.575 0.051 678 H LEU 85 H LEU 85 -6.949 6.895 -0.274 679 HA LEU 85 HA LEU 85 -6.323 4.881 -2.292 680 1HB LEU 85 2HB LEU 85 -8.702 6.144 -1.350 681 2HB LEU 85 1HB LEU 85 -8.533 6.482 -3.062 682 HG LEU 85 HG LEU 85 -8.084 3.875 -3.184 683 1HD1 LEU 85 1HD1 LEU 85 -8.398 2.810 -1.268 684 2HD1 LEU 85 2HD1 LEU 85 -10.093 3.278 -1.335 685 3HD1 LEU 85 3HD1 LEU 85 -8.932 4.289 -0.476 686 1HD2 LEU 85 1HD2 LEU 85 -10.229 3.645 -4.003 687 2HD2 LEU 85 2HD2 LEU 85 -9.991 5.389 -4.103 688 3HD2 LEU 85 3HD2 LEU 85 -10.926 4.701 -2.775 689 H PHE 86 H PHE 86 -5.907 5.328 -4.425 690 HA PHE 86 HA PHE 86 -6.013 7.786 -5.703 691 1HB PHE 86 2HB PHE 86 -3.918 8.780 -5.521 692 2HB PHE 86 1HB PHE 86 -4.218 8.234 -3.877 693 HD1 PHE 86 1HD PHE 86 -3.157 6.083 -3.109 694 HD2 PHE 86 2HD PHE 86 -2.047 8.046 -6.717 695 HE1 PHE 86 1HE PHE 86 -1.039 4.835 -3.131 696 HE2 PHE 86 2HE PHE 86 0.074 6.799 -6.748 697 HZ PHE 86 HZ PHE 86 0.580 5.191 -4.952 698 H LYS 87 H LYS 87 -5.530 7.598 -7.856 699 HA LYS 87 HA LYS 87 -4.662 4.932 -8.727 700 1HB LYS 87 2HB LYS 87 -5.966 7.127 -10.344 701 2HB LYS 87 1HB LYS 87 -5.685 5.470 -10.859 702 1HG LYS 87 2HG LYS 87 -7.216 4.683 -9.110 703 2HG LYS 87 1HG LYS 87 -7.525 6.359 -8.650 704 1HD LYS 87 2HD LYS 87 -9.293 5.544 -10.099 705 2HD LYS 87 1HD LYS 87 -8.370 6.808 -10.911 706 1HE LYS 87 2HE LYS 87 -7.786 3.883 -11.292 707 2HE LYS 87 1HE LYS 87 -8.957 4.750 -12.285 708 1HZ LYS 87 1HZ LYS 87 -6.434 6.104 -12.079 709 2HZ LYS 87 2HZ LYS 87 -7.341 5.714 -13.452 710 3HZ LYS 87 3HZ LYS 87 -6.296 4.568 -12.778 711 H SER 88 H SER 88 -3.643 5.164 -11.101 712 HA SER 88 HA SER 88 -1.454 7.119 -10.900 713 1HB SER 88 2HB SER 88 -1.295 4.269 -10.875 714 2HB SER 88 1HB SER 88 -0.564 4.858 -12.368 715 HG SER 88 HG SER 88 0.091 6.184 -10.007 716 H GLY 89 H GLY 89 -4.055 6.927 -12.389 717 1HA GLY 89 2HA GLY 89 -3.998 8.401 -14.471 718 2HA GLY 89 1HA GLY 89 -3.011 7.111 -15.142 719 1H MET 1 1HT MET 1 23.836 -7.668 5.671 720 2H MET 1 2HT MET 1 25.460 -7.574 6.219 721 3H MET 1 3HT MET 1 24.671 -6.171 5.622 722 HA MET 1 HA MET 1 23.011 -6.951 7.546 723 1HB MET 1 2HB MET 1 24.649 -8.703 8.182 724 2HB MET 1 1HB MET 1 25.848 -7.451 8.473 725 1HG MET 1 2HG MET 1 25.039 -6.998 10.491 726 2HG MET 1 1HG MET 1 23.373 -6.979 9.915 727 1HE MET 1 1HE MET 1 26.286 -9.220 10.036 728 2HE MET 1 2HE MET 1 25.495 -10.789 9.880 729 3HE MET 1 3HE MET 1 25.993 -10.205 11.468 730 H CYS 2 H CYS 2 25.156 -4.976 6.067 731 HA CYS 2 HA CYS 2 26.167 -3.090 7.651 732 1HB CYS 2 2HB CYS 2 24.382 -1.947 5.580 733 2HB CYS 2 1HB CYS 2 26.094 -1.662 5.874 734 HG CYS 2 HG CYS 2 26.467 -3.081 3.922 735 H ASP 3 H ASP 3 22.851 -2.542 6.487 736 HA ASP 3 HA ASP 3 22.136 -1.604 9.183 737 1HB ASP 3 2HB ASP 3 20.685 -0.197 7.105 738 2HB ASP 3 1HB ASP 3 21.617 0.451 8.452 739 H ARG 4 H ARG 4 19.957 -1.287 6.519 740 HA ARG 4 HA ARG 4 18.018 -2.329 5.950 741 1HB ARG 4 2HB ARG 4 19.064 -4.727 7.459 742 2HB ARG 4 1HB ARG 4 17.814 -4.716 6.224 743 1HG ARG 4 2HG ARG 4 20.374 -3.604 5.347 744 2HG ARG 4 1HG ARG 4 20.433 -5.308 5.800 745 1HD ARG 4 2HD ARG 4 19.120 -3.998 3.521 746 2HD ARG 4 1HD ARG 4 19.770 -5.630 3.671 747 HE ARG 4 HE ARG 4 17.463 -5.499 5.224 748 1HH1 ARG 4 1HH1 ARG 4 18.377 -5.285 1.869 749 2HH1 ARG 4 2HH1 ARG 4 16.861 -5.885 1.285 750 1HH2 ARG 4 1HH2 ARG 4 15.463 -6.290 4.465 751 2HH2 ARG 4 2HH2 ARG 4 15.204 -6.455 2.760 752 H LYS 5 H LYS 5 18.677 -3.835 9.114 753 HA LYS 5 HA LYS 5 17.260 -4.104 10.907 754 1HB LYS 5 2HB LYS 5 17.703 -1.202 10.450 755 2HB LYS 5 1HB LYS 5 16.467 -1.640 11.622 756 1HG LYS 5 2HG LYS 5 19.374 -2.419 11.683 757 2HG LYS 5 1HG LYS 5 18.550 -1.289 12.758 758 1HD LYS 5 2HD LYS 5 17.435 -4.026 12.591 759 2HD LYS 5 1HD LYS 5 18.995 -3.851 13.396 760 1HE LYS 5 2HE LYS 5 17.992 -2.079 14.823 761 2HE LYS 5 1HE LYS 5 16.429 -2.424 14.084 762 1HZ LYS 5 1HZ LYS 5 17.888 -4.677 15.228 763 2HZ LYS 5 2HZ LYS 5 16.226 -4.367 15.200 764 3HZ LYS 5 3HZ LYS 5 17.214 -3.569 16.315 765 H ALA 6 H ALA 6 15.957 -4.289 8.293 766 HA ALA 6 HA ALA 6 13.222 -3.608 9.137 767 1HB ALA 6 1HB ALA 6 13.813 -3.677 6.233 768 2HB ALA 6 2HB ALA 6 14.374 -2.277 7.147 769 3HB ALA 6 3HB ALA 6 12.660 -2.692 7.133 770 H VAL 7 H VAL 7 11.830 -4.815 7.107 771 HA VAL 7 HA VAL 7 12.761 -7.544 6.808 772 HB VAL 7 HB VAL 7 10.290 -6.892 8.418 773 1HG1 VAL 7 1HG1 VAL 7 10.720 -9.060 6.654 774 2HG1 VAL 7 2HG1 VAL 7 9.386 -8.817 7.782 775 3HG1 VAL 7 3HG1 VAL 7 10.830 -9.687 8.299 776 1HG2 VAL 7 1HG2 VAL 7 13.004 -7.634 9.090 777 2HG2 VAL 7 2HG2 VAL 7 11.839 -8.797 9.725 778 3HG2 VAL 7 3HG2 VAL 7 11.692 -7.088 10.137 779 H ILE 8 H ILE 8 12.651 -6.595 4.606 780 HA ILE 8 HA ILE 8 10.487 -5.656 3.275 781 HB ILE 8 HB ILE 8 12.837 -7.247 2.473 782 1HG1 ILE 8 2HG1 ILE 8 12.553 -5.413 0.565 783 2HG1 ILE 8 1HG1 ILE 8 11.492 -4.684 1.769 784 1HG2 ILE 8 1HG2 ILE 8 10.322 -7.304 0.840 785 2HG2 ILE 8 2HG2 ILE 8 11.427 -8.623 1.225 786 3HG2 ILE 8 3HG2 ILE 8 11.911 -7.376 0.077 787 1HD1 ILE 8 1HD1 ILE 8 14.430 -5.057 1.798 788 2HD1 ILE 8 2HD1 ILE 8 13.569 -5.130 3.337 789 3HD1 ILE 8 3HD1 ILE 8 13.450 -3.689 2.328 790 H LYS 9 H LYS 9 8.959 -6.667 1.826 791 HA LYS 9 HA LYS 9 8.207 -9.416 2.318 792 1HB LYS 9 2HB LYS 9 5.978 -7.482 2.678 793 2HB LYS 9 1HB LYS 9 6.201 -9.080 3.375 794 1HG LYS 9 2HG LYS 9 8.198 -7.274 4.371 795 2HG LYS 9 1HG LYS 9 6.582 -6.610 4.616 796 1HD LYS 9 2HD LYS 9 5.900 -8.729 5.675 797 2HD LYS 9 1HD LYS 9 7.544 -9.339 5.475 798 1HE LYS 9 2HE LYS 9 8.407 -7.612 6.920 799 2HE LYS 9 1HE LYS 9 6.815 -6.864 7.032 800 1HZ LYS 9 1HZ LYS 9 6.024 -8.956 8.070 801 2HZ LYS 9 2HZ LYS 9 7.187 -8.142 8.991 802 3HZ LYS 9 3HZ LYS 9 7.621 -9.513 8.101 803 H ASN 10 H ASN 10 8.290 -6.574 0.494 804 HA ASN 10 HA ASN 10 7.523 -7.885 -1.896 805 1HB ASN 10 2HB ASN 10 5.323 -7.159 -0.504 806 2HB ASN 10 1HB ASN 10 5.609 -5.679 -1.414 807 1HD2 ASN 10 1HD2 ASN 10 5.430 -9.190 -1.854 808 2HD2 ASN 10 2HD2 ASN 10 4.654 -9.129 -3.397 809 H ALA 11 H ALA 11 9.111 -7.032 -3.103 810 HA ALA 11 HA ALA 11 9.193 -4.119 -3.382 811 1HB ALA 11 1HB ALA 11 11.318 -3.834 -2.703 812 2HB ALA 11 2HB ALA 11 11.841 -5.396 -3.334 813 3HB ALA 11 3HB ALA 11 11.007 -5.306 -1.783 814 H ASP 12 H ASP 12 8.552 -3.996 -5.458 815 HA ASP 12 HA ASP 12 9.594 -5.828 -7.442 816 1HB ASP 12 2HB ASP 12 7.193 -4.630 -7.239 817 2HB ASP 12 1HB ASP 12 8.008 -3.465 -8.279 818 H MET 13 H MET 13 11.343 -3.932 -6.025 819 HA MET 13 HA MET 13 12.337 -2.393 -8.333 820 1HB MET 13 2HB MET 13 11.826 -0.803 -6.684 821 2HB MET 13 1HB MET 13 12.397 -1.834 -5.380 822 1HG MET 13 2HG MET 13 14.574 -1.255 -5.679 823 2HG MET 13 1HG MET 13 14.374 -0.954 -7.404 824 1HE MET 13 1HE MET 13 13.587 1.778 -3.881 825 2HE MET 13 2HE MET 13 13.428 0.022 -3.949 826 3HE MET 13 3HE MET 13 12.090 1.049 -4.462 827 H SER 14 H SER 14 14.660 -2.215 -8.542 828 HA SER 14 HA SER 14 16.023 -4.582 -8.613 829 1HB SER 14 2HB SER 14 17.628 -2.148 -7.976 830 2HB SER 14 1HB SER 14 17.881 -3.366 -9.226 831 HG SER 14 HG SER 14 16.396 -2.391 -10.496 832 H GLU 15 H GLU 15 17.684 -5.532 -7.329 833 HA GLU 15 HA GLU 15 17.089 -5.793 -4.622 834 1HB GLU 15 2HB GLU 15 19.537 -6.465 -6.236 835 2HB GLU 15 1HB GLU 15 19.474 -6.773 -4.506 836 1HG GLU 15 2HG GLU 15 17.103 -7.811 -5.655 837 2HG GLU 15 1HG GLU 15 18.466 -8.352 -6.635 838 H GLU 16 H GLU 16 20.151 -4.406 -5.829 839 HA GLU 16 HA GLU 16 20.964 -3.224 -3.482 840 1HB GLU 16 2HB GLU 16 22.139 -1.538 -5.032 841 2HB GLU 16 1HB GLU 16 22.538 -3.241 -5.215 842 1HG GLU 16 2HG GLU 16 20.481 -2.981 -6.968 843 2HG GLU 16 1HG GLU 16 21.244 -1.396 -7.079 844 H MET 17 H MET 17 18.471 -2.232 -5.657 845 HA MET 17 HA MET 17 18.285 0.475 -4.754 846 1HB MET 17 2HB MET 17 16.594 -1.324 -6.446 847 2HB MET 17 1HB MET 17 15.915 0.183 -5.846 848 1HG MET 17 2HG MET 17 18.473 0.743 -6.931 849 2HG MET 17 1HG MET 17 17.581 -0.239 -8.092 850 1HE MET 17 1HE MET 17 16.925 3.616 -6.169 851 2HE MET 17 2HE MET 17 16.668 2.059 -5.381 852 3HE MET 17 3HE MET 17 15.296 2.951 -6.037 853 H GLN 18 H GLN 18 16.598 -2.546 -3.989 854 HA GLN 18 HA GLN 18 14.723 -1.365 -2.215 855 1HB GLN 18 2HB GLN 18 14.952 -3.960 -1.346 856 2HB GLN 18 1HB GLN 18 13.876 -3.402 -2.619 857 1HG GLN 18 2HG GLN 18 16.290 -3.812 -3.909 858 2HG GLN 18 1HG GLN 18 16.172 -5.148 -2.764 859 1HE2 GLN 18 1HE2 GLN 18 13.129 -4.047 -3.511 860 2HE2 GLN 18 2HE2 GLN 18 12.722 -5.187 -4.745 861 H GLN 19 H GLN 19 18.020 -2.354 -1.897 862 HA GLN 19 HA GLN 19 17.992 -2.493 0.975 863 1HB GLN 19 2HB GLN 19 20.238 -3.068 0.838 864 2HB GLN 19 1HB GLN 19 19.616 -3.663 -0.695 865 1HG GLN 19 2HG GLN 19 20.832 -2.212 -1.900 866 2HG GLN 19 1HG GLN 19 20.606 -0.900 -0.745 867 1HE2 GLN 19 1HE2 GLN 19 21.859 -4.082 0.016 868 2HE2 GLN 19 2HE2 GLN 19 23.458 -3.566 0.419 869 H ASP 20 H ASP 20 18.912 -0.162 -1.495 870 HA ASP 20 HA ASP 20 19.924 1.763 0.351 871 1HB ASP 20 2HB ASP 20 19.580 1.545 -2.536 872 2HB ASP 20 1HB ASP 20 19.201 3.160 -1.943 873 H SER 21 H SER 21 16.824 0.884 -0.847 874 HA SER 21 HA SER 21 15.493 3.344 -0.239 875 1HB SER 21 2HB SER 21 14.150 2.245 -1.707 876 2HB SER 21 1HB SER 21 14.728 0.658 -1.201 877 HG SER 21 HG SER 21 13.129 0.515 0.169 878 H VAL 22 H VAL 22 15.736 0.168 1.341 879 HA VAL 22 HA VAL 22 14.160 0.792 3.585 880 HB VAL 22 HB VAL 22 16.475 -1.147 3.503 881 1HG1 VAL 22 1HG1 VAL 22 15.821 -1.893 5.510 882 2HG1 VAL 22 2HG1 VAL 22 14.109 -1.789 5.095 883 3HG1 VAL 22 3HG1 VAL 22 14.971 -0.352 5.647 884 1HG2 VAL 22 1HG2 VAL 22 14.108 -2.569 3.212 885 2HG2 VAL 22 2HG2 VAL 22 15.313 -2.261 1.961 886 3HG2 VAL 22 3HG2 VAL 22 13.925 -1.186 2.134 887 H GLU 23 H GLU 23 17.605 1.158 2.930 888 HA GLU 23 HA GLU 23 18.348 1.974 5.536 889 1HB GLU 23 2HB GLU 23 19.645 2.547 2.864 890 2HB GLU 23 1HB GLU 23 20.391 2.849 4.428 891 1HG GLU 23 2HG GLU 23 20.431 0.514 4.935 892 2HG GLU 23 1HG GLU 23 19.482 0.137 3.498 893 H CYS 24 H CYS 24 17.244 3.698 2.670 894 HA CYS 24 HA CYS 24 17.665 6.314 3.696 895 1HB CYS 24 2HB CYS 24 15.799 5.295 1.540 896 2HB CYS 24 1HB CYS 24 16.069 6.999 1.885 897 HG CYS 24 HG CYS 24 17.589 6.095 -0.114 898 H ALA 25 H ALA 25 15.050 3.990 3.859 899 HA ALA 25 HA ALA 25 13.119 5.747 5.015 900 1HB ALA 25 1HB ALA 25 12.164 3.431 5.799 901 2HB ALA 25 2HB ALA 25 13.379 2.778 4.699 902 3HB ALA 25 3HB ALA 25 12.127 3.860 4.089 903 H THR 26 H THR 26 15.635 3.629 6.096 904 HA THR 26 HA THR 26 15.102 3.679 8.864 905 HB THR 26 HB THR 26 17.713 3.295 7.390 906 HG1 THR 26 1HG THR 26 16.779 1.519 6.802 907 1HG2 THR 26 1HG2 THR 26 17.343 3.556 10.112 908 2HG2 THR 26 2HG2 THR 26 18.732 2.844 9.290 909 3HG2 THR 26 3HG2 THR 26 17.407 1.816 9.836 910 H GLN 27 H GLN 27 17.085 5.663 6.712 911 HA GLN 27 HA GLN 27 18.354 7.277 8.584 912 1HB GLN 27 2HB GLN 27 17.468 7.712 5.751 913 2HB GLN 27 1HB GLN 27 18.125 9.058 6.672 914 1HG GLN 27 2HG GLN 27 20.198 7.896 6.997 915 2HG GLN 27 1HG GLN 27 19.547 6.443 6.242 916 1HE2 GLN 27 1HE2 GLN 27 19.786 9.904 5.477 917 2HE2 GLN 27 2HE2 GLN 27 20.349 9.682 3.858 918 H ALA 28 H ALA 28 15.214 7.648 7.014 919 HA ALA 28 HA ALA 28 14.516 10.028 8.459 920 1HB ALA 28 1HB ALA 28 13.611 9.383 6.206 921 2HB ALA 28 2HB ALA 28 12.395 9.864 7.389 922 3HB ALA 28 3HB ALA 28 12.641 8.157 7.023 923 H LEU 29 H LEU 29 14.517 6.702 9.151 924 HA LEU 29 HA LEU 29 12.382 6.735 11.078 925 1HB LEU 29 2HB LEU 29 14.445 4.728 10.259 926 2HB LEU 29 1HB LEU 29 13.452 4.467 11.682 927 HG LEU 29 HG LEU 29 11.997 5.172 9.213 928 1HD1 LEU 29 1HD1 LEU 29 13.152 3.710 7.973 929 2HD1 LEU 29 2HD1 LEU 29 12.202 2.510 8.850 930 3HD1 LEU 29 3HD1 LEU 29 13.839 2.897 9.380 931 1HD2 LEU 29 1HD2 LEU 29 11.031 4.560 11.490 932 2HD2 LEU 29 2HD2 LEU 29 11.530 2.906 11.131 933 3HD2 LEU 29 3HD2 LEU 29 10.367 3.723 10.087 934 H GLU 30 H GLU 30 15.913 6.784 11.148 935 HA GLU 30 HA GLU 30 16.055 6.780 14.017 936 1HB GLU 30 2HB GLU 30 18.001 6.931 11.767 937 2HB GLU 30 1HB GLU 30 18.520 7.530 13.337 938 1HG GLU 30 2HG GLU 30 17.226 4.877 13.292 939 2HG GLU 30 1HG GLU 30 18.825 4.998 12.561 940 H LYS 31 H LYS 31 15.987 9.166 11.478 941 HA LYS 31 HA LYS 31 16.761 11.332 13.237 942 1HB LYS 31 2HB LYS 31 15.716 11.389 10.398 943 2HB LYS 31 1HB LYS 31 16.374 12.765 11.273 944 1HG LYS 31 2HG LYS 31 17.872 10.268 10.504 945 2HG LYS 31 1HG LYS 31 18.014 11.852 9.737 946 1HD LYS 31 2HD LYS 31 18.681 12.729 12.032 947 2HD LYS 31 1HD LYS 31 18.849 11.038 12.510 948 1HE LYS 31 2HE LYS 31 20.885 10.998 11.627 949 2HE LYS 31 1HE LYS 31 20.200 11.365 10.044 950 1HZ LYS 31 1HZ LYS 31 21.592 13.093 11.899 951 2HZ LYS 31 2HZ LYS 31 20.213 13.780 11.202 952 3HZ LYS 31 3HZ LYS 31 21.456 13.196 10.216 953 H TYR 32 H TYR 32 13.899 9.715 12.311 954 HA TYR 32 HA TYR 32 12.313 11.392 14.030 955 1HB TYR 32 2HB TYR 32 10.996 11.126 11.411 956 2HB TYR 32 1HB TYR 32 11.015 12.483 12.531 957 HD1 TYR 32 1HD TYR 32 13.034 10.764 9.932 958 HD2 TYR 32 2HD TYR 32 12.379 14.348 12.120 959 HE1 TYR 32 1HE TYR 32 14.598 11.939 8.451 960 HE2 TYR 32 2HE TYR 32 13.940 15.539 10.645 961 HH TYR 32 HH TYR 32 15.192 15.421 8.802 962 H ASN 33 H ASN 33 10.340 10.432 14.633 963 HA ASN 33 HA ASN 33 10.058 7.622 13.793 964 1HB ASN 33 2HB ASN 33 8.845 7.579 16.178 965 2HB ASN 33 1HB ASN 33 10.578 7.311 15.998 966 1HD2 ASN 33 1HD2 ASN 33 11.952 8.653 16.977 967 2HD2 ASN 33 2HD2 ASN 33 11.502 10.088 17.828 968 H ILE 34 H ILE 34 8.830 10.043 12.667 969 HA ILE 34 HA ILE 34 5.997 9.545 13.292 970 HB ILE 34 HB ILE 34 6.861 11.870 11.639 971 1HG1 ILE 34 2HG1 ILE 34 8.378 11.803 13.626 972 2HG1 ILE 34 1HG1 ILE 34 7.341 13.224 13.566 973 1HG2 ILE 34 1HG2 ILE 34 4.829 12.721 12.141 974 2HG2 ILE 34 2HG2 ILE 34 4.845 12.076 13.782 975 3HG2 ILE 34 3HG2 ILE 34 4.448 11.022 12.425 976 1HD1 ILE 34 1HD1 ILE 34 7.246 10.888 15.402 977 2HD1 ILE 34 2HD1 ILE 34 5.778 11.809 15.077 978 3HD1 ILE 34 3HD1 ILE 34 7.189 12.612 15.767 979 H GLU 35 H GLU 35 5.232 8.025 11.948 980 HA GLU 35 HA GLU 35 6.036 6.996 9.654 981 1HB GLU 35 2HB GLU 35 3.187 7.891 10.126 982 2HB GLU 35 1HB GLU 35 3.688 6.694 8.940 983 1HG GLU 35 2HG GLU 35 3.111 5.275 10.587 984 2HG GLU 35 1HG GLU 35 4.761 5.595 11.119 985 H LYS 36 H LYS 36 3.696 9.673 9.397 986 HA LYS 36 HA LYS 36 4.043 10.261 6.748 987 1HB LYS 36 2HB LYS 36 3.793 12.690 8.347 988 2HB LYS 36 1HB LYS 36 2.681 12.000 7.172 989 1HG LYS 36 2HG LYS 36 2.651 10.383 9.516 990 2HG LYS 36 1HG LYS 36 2.441 12.073 9.980 991 1HD LYS 36 2HD LYS 36 0.455 12.273 8.866 992 2HD LYS 36 1HD LYS 36 0.885 11.060 7.659 993 1HE LYS 36 2HE LYS 36 -0.426 9.651 8.782 994 2HE LYS 36 1HE LYS 36 0.813 9.644 10.036 995 1HZ LYS 36 1HZ LYS 36 -1.639 10.245 10.605 996 2HZ LYS 36 2HZ LYS 36 -1.200 11.779 10.043 997 3HZ LYS 36 3HZ LYS 36 -0.365 11.084 11.339 998 H ASP 37 H ASP 37 5.697 11.990 9.401 999 HA ASP 37 HA ASP 37 7.392 13.577 7.972 1000 1HB ASP 37 2HB ASP 37 7.329 12.499 10.644 1001 2HB ASP 37 1HB ASP 37 8.988 12.555 10.057 1002 H ILE 38 H ILE 38 8.405 10.403 9.232 1003 HA ILE 38 HA ILE 38 10.775 10.121 7.909 1004 HB ILE 38 HB ILE 38 8.815 7.855 8.279 1005 1HG1 ILE 38 2HG1 ILE 38 10.877 8.589 10.321 1006 2HG1 ILE 38 1HG1 ILE 38 9.349 9.464 10.293 1007 1HG2 ILE 38 1HG2 ILE 38 10.481 6.478 7.753 1008 2HG2 ILE 38 2HG2 ILE 38 11.609 7.321 8.815 1009 3HG2 ILE 38 3HG2 ILE 38 11.352 7.897 7.169 1010 1HD1 ILE 38 1HD1 ILE 38 8.951 7.784 11.818 1011 2HD1 ILE 38 2HD1 ILE 38 9.866 6.589 10.897 1012 3HD1 ILE 38 3HD1 ILE 38 8.280 7.114 10.331 1013 H ALA 39 H ALA 39 7.555 9.284 6.675 1014 HA ALA 39 HA ALA 39 8.388 8.193 4.228 1015 1HB ALA 39 1HB ALA 39 6.223 7.684 4.319 1016 2HB ALA 39 2HB ALA 39 5.910 9.312 3.718 1017 3HB ALA 39 3HB ALA 39 5.887 8.993 5.452 1018 H ALA 40 H ALA 40 7.488 11.511 5.104 1019 HA ALA 40 HA ALA 40 7.618 12.623 2.537 1020 1HB ALA 40 1HB ALA 40 8.252 14.746 3.993 1021 2HB ALA 40 2HB ALA 40 7.735 13.687 5.305 1022 3HB ALA 40 3HB ALA 40 6.624 14.070 3.989 1023 H HIS 41 H HIS 41 10.050 12.983 5.121 1024 HA HIS 41 HA HIS 41 12.088 14.124 3.745 1025 1HB HIS 41 2HB HIS 41 12.884 11.844 5.485 1026 2HB HIS 41 1HB HIS 41 13.472 13.503 5.467 1027 HD1 HIS 41 1HD HIS 41 12.490 11.818 8.018 1028 HD2 HIS 41 2HD HIS 41 10.378 14.787 6.022 1029 HE1 HIS 41 1HE HIS 41 10.835 12.714 9.691 1030 HE2 HIS 41 2HE HIS 41 9.571 14.510 8.462 1031 H ILE 42 H ILE 42 11.635 10.603 4.043 1032 HA ILE 42 HA ILE 42 13.670 9.704 2.459 1033 HB ILE 42 HB ILE 42 10.863 8.610 2.649 1034 1HG1 ILE 42 2HG1 ILE 42 13.335 7.491 3.942 1035 2HG1 ILE 42 1HG1 ILE 42 12.449 8.810 4.700 1036 1HG2 ILE 42 1HG2 ILE 42 11.359 7.018 1.183 1037 2HG2 ILE 42 2HG2 ILE 42 12.876 6.656 2.008 1038 3HG2 ILE 42 3HG2 ILE 42 12.821 7.922 0.782 1039 1HD1 ILE 42 1HD1 ILE 42 11.813 6.624 5.587 1040 2HD1 ILE 42 2HD1 ILE 42 11.290 6.129 3.977 1041 3HD1 ILE 42 3HD1 ILE 42 10.457 7.442 4.810 1042 H LYS 43 H LYS 43 10.346 10.020 1.206 1043 HA LYS 43 HA LYS 43 10.688 9.692 -1.425 1044 1HB LYS 43 2HB LYS 43 8.521 10.229 -0.551 1045 2HB LYS 43 1HB LYS 43 9.052 11.836 -0.072 1046 1HG LYS 43 2HG LYS 43 9.209 11.083 -2.944 1047 2HG LYS 43 1HG LYS 43 7.632 11.455 -2.244 1048 1HD LYS 43 2HD LYS 43 9.173 13.501 -1.293 1049 2HD LYS 43 1HD LYS 43 9.873 13.227 -2.890 1050 1HE LYS 43 2HE LYS 43 7.154 14.155 -2.135 1051 2HE LYS 43 1HE LYS 43 8.216 14.705 -3.430 1052 1HZ LYS 43 1HZ LYS 43 6.372 12.421 -3.384 1053 2HZ LYS 43 2HZ LYS 43 7.749 12.338 -4.364 1054 3HZ LYS 43 3HZ LYS 43 6.621 13.577 -4.595 1055 H LYS 44 H LYS 44 11.098 12.888 0.107 1056 HA LYS 44 HA LYS 44 11.979 14.292 -2.097 1057 1HB LYS 44 2HB LYS 44 12.719 14.610 0.811 1058 2HB LYS 44 1HB LYS 44 13.145 15.778 -0.432 1059 1HG LYS 44 2HG LYS 44 10.943 16.430 -0.757 1060 2HG LYS 44 1HG LYS 44 10.299 14.955 -0.034 1061 1HD LYS 44 2HD LYS 44 10.745 15.679 2.136 1062 2HD LYS 44 1HD LYS 44 11.913 16.886 1.595 1063 1HE LYS 44 2HE LYS 44 9.972 18.058 0.469 1064 2HE LYS 44 1HE LYS 44 8.914 16.964 1.357 1065 1HZ LYS 44 1HZ LYS 44 10.239 19.311 2.264 1066 2HZ LYS 44 2HZ LYS 44 10.641 17.984 3.233 1067 3HZ LYS 44 3HZ LYS 44 9.019 18.410 3.016 1068 H GLU 45 H GLU 45 13.855 12.281 0.114 1069 HA GLU 45 HA GLU 45 16.377 12.958 -1.039 1070 1HB GLU 45 2HB GLU 45 15.587 11.723 1.278 1071 2HB GLU 45 1HB GLU 45 16.209 10.371 0.341 1072 1HG GLU 45 2HG GLU 45 18.047 12.512 0.099 1073 2HG GLU 45 1HG GLU 45 17.642 12.330 1.806 1074 H PHE 46 H PHE 46 14.122 10.255 -1.430 1075 HA PHE 46 HA PHE 46 15.759 8.716 -3.137 1076 1HB PHE 46 2HB PHE 46 13.085 8.585 -2.098 1077 2HB PHE 46 1HB PHE 46 13.057 8.240 -3.824 1078 HD1 PHE 46 1HD PHE 46 14.435 6.376 -4.725 1079 HD2 PHE 46 2HD PHE 46 13.954 7.036 -0.549 1080 HE1 PHE 46 1HE PHE 46 15.201 4.081 -4.279 1081 HE2 PHE 46 2HE PHE 46 14.721 4.743 -0.094 1082 HZ PHE 46 HZ PHE 46 15.347 3.263 -1.958 1083 H ASP 47 H ASP 47 13.435 11.287 -3.731 1084 HA ASP 47 HA ASP 47 13.374 11.018 -6.553 1085 1HB ASP 47 2HB ASP 47 12.829 13.516 -4.939 1086 2HB ASP 47 1HB ASP 47 12.260 13.162 -6.568 1087 H LYS 48 H LYS 48 15.225 13.136 -4.373 1088 HA LYS 48 HA LYS 48 16.659 14.343 -6.555 1089 1HB LYS 48 2HB LYS 48 16.715 14.572 -3.579 1090 2HB LYS 48 1HB LYS 48 18.106 15.143 -4.491 1091 1HG LYS 48 2HG LYS 48 15.282 16.046 -4.998 1092 2HG LYS 48 1HG LYS 48 16.425 16.895 -3.954 1093 1HD LYS 48 2HD LYS 48 16.809 16.315 -6.891 1094 2HD LYS 48 1HD LYS 48 16.357 17.874 -6.197 1095 1HE LYS 48 2HE LYS 48 18.465 18.017 -5.034 1096 2HE LYS 48 1HE LYS 48 18.906 16.393 -5.563 1097 1HZ LYS 48 1HZ LYS 48 18.963 17.161 -7.834 1098 2HZ LYS 48 2HZ LYS 48 19.975 18.131 -6.887 1099 3HZ LYS 48 3HZ LYS 48 18.460 18.708 -7.369 1100 H LYS 49 H LYS 49 17.086 11.608 -4.485 1101 HA LYS 49 HA LYS 49 19.908 11.347 -5.137 1102 1HB LYS 49 2HB LYS 49 18.725 10.763 -2.870 1103 2HB LYS 49 1HB LYS 49 18.348 9.249 -3.681 1104 1HG LYS 49 2HG LYS 49 20.876 9.163 -4.197 1105 2HG LYS 49 1HG LYS 49 21.013 10.361 -2.910 1106 1HD LYS 49 2HD LYS 49 20.677 8.830 -1.315 1107 2HD LYS 49 1HD LYS 49 19.317 8.109 -2.181 1108 1HE LYS 49 2HE LYS 49 22.252 7.563 -2.586 1109 2HE LYS 49 1HE LYS 49 21.034 6.454 -1.960 1110 1HZ LYS 49 1HZ LYS 49 20.385 7.502 -4.553 1111 2HZ LYS 49 2HZ LYS 49 20.399 5.901 -4.009 1112 3HZ LYS 49 3HZ LYS 49 21.831 6.624 -4.543 1113 H TYR 50 H TYR 50 16.942 10.430 -6.465 1114 HA TYR 50 HA TYR 50 18.304 8.463 -8.168 1115 1HB TYR 50 2HB TYR 50 15.523 8.161 -7.017 1116 2HB TYR 50 1HB TYR 50 16.265 7.073 -8.185 1117 HD1 TYR 50 1HD TYR 50 17.956 5.485 -7.506 1118 HD2 TYR 50 2HD TYR 50 16.286 8.203 -4.689 1119 HE1 TYR 50 1HE TYR 50 18.929 4.171 -5.670 1120 HE2 TYR 50 2HE TYR 50 17.255 6.896 -2.846 1121 HH TYR 50 HH TYR 50 19.630 4.580 -3.283 1122 H ASN 51 H ASN 51 15.009 9.818 -8.002 1123 HA ASN 51 HA ASN 51 14.962 11.738 -9.856 1124 1HB ASN 51 2HB ASN 51 15.672 9.254 -11.168 1125 2HB ASN 51 1HB ASN 51 14.169 9.900 -11.821 1126 1HD2 ASN 51 1HD2 ASN 51 16.166 9.779 -13.523 1127 2HD2 ASN 51 2HD2 ASN 51 16.858 11.334 -13.820 1128 HA PRO 52 HA PRO 52 10.884 11.268 -7.961 1129 1HB PRO 52 2HB PRO 52 10.468 13.219 -10.195 1130 2HB PRO 52 1HB PRO 52 9.840 13.256 -8.544 1131 1HG PRO 52 2HG PRO 52 11.968 14.725 -9.294 1132 2HG PRO 52 1HG PRO 52 11.812 14.045 -7.666 1133 1HD PRO 52 2HD PRO 52 13.654 13.302 -9.823 1134 2HD PRO 52 1HD PRO 52 13.735 12.920 -8.094 1135 H THR 53 H THR 53 8.652 9.615 -10.176 1136 HA THR 53 HA THR 53 9.257 11.096 -7.709 1137 HB THR 53 HB THR 53 7.377 11.996 -9.188 1138 HG1 THR 53 1HG THR 53 6.829 11.249 -6.508 1139 1HG2 THR 53 1HG2 THR 53 6.384 9.774 -9.692 1140 2HG2 THR 53 2HG2 THR 53 5.243 10.969 -9.073 1141 3HG2 THR 53 3HG2 THR 53 5.850 9.696 -8.013 1142 H TRP 54 H TRP 54 9.439 9.879 -5.962 1143 HA TRP 54 HA TRP 54 8.576 7.102 -6.054 1144 1HB TRP 54 2HB TRP 54 10.199 8.552 -3.957 1145 2HB TRP 54 1HB TRP 54 9.939 6.814 -4.049 1146 HD1 TRP 54 HD TRP 54 11.577 9.613 -6.181 1147 HE1 TRP 54 1HE TRP 54 13.589 8.582 -7.408 1148 HE3 TRP 54 3HE TRP 54 11.041 4.760 -4.687 1149 HZ2 TRP 54 2HZ TRP 54 14.803 6.050 -7.694 1150 HZ3 TRP 54 3HZ TRP 54 12.661 3.098 -5.486 1151 HH2 TRP 54 HH TRP 54 14.504 3.722 -6.953 1152 H HIS 55 H HIS 55 6.694 6.496 -5.241 1153 HA HIS 55 HA HIS 55 5.384 8.162 -3.209 1154 1HB HIS 55 2HB HIS 55 3.949 5.836 -4.358 1155 2HB HIS 55 1HB HIS 55 3.368 7.464 -4.025 1156 HD1 HIS 55 1HD HIS 55 3.637 9.225 -5.898 1157 HD2 HIS 55 2HD HIS 55 4.971 5.428 -6.927 1158 HE1 HIS 55 1HE HIS 55 3.963 9.280 -8.390 1159 HE2 HIS 55 2HE HIS 55 4.836 6.992 -8.981 1160 H CYS 56 H CYS 56 6.254 7.546 -1.280 1161 HA CYS 56 HA CYS 56 6.239 4.665 -0.664 1162 1HB CYS 56 2HB CYS 56 7.979 5.195 1.024 1163 2HB CYS 56 1HB CYS 56 8.475 5.557 -0.625 1164 HG CYS 56 HG CYS 56 8.498 8.008 -0.112 1165 H ILE 57 H ILE 57 5.473 3.929 1.274 1166 HA ILE 57 HA ILE 57 4.061 5.857 2.998 1167 HB ILE 57 HB ILE 57 3.015 3.102 2.333 1168 1HG1 ILE 57 2HG1 ILE 57 2.800 4.371 0.321 1169 2HG1 ILE 57 1HG1 ILE 57 1.217 4.376 1.092 1170 1HG2 ILE 57 1HG2 ILE 57 1.360 5.279 3.501 1171 2HG2 ILE 57 2HG2 ILE 57 2.505 4.440 4.547 1172 3HG2 ILE 57 3HG2 ILE 57 1.244 3.532 3.712 1173 1HD1 ILE 57 1HD1 ILE 57 3.018 6.631 1.717 1174 2HD1 ILE 57 2HD1 ILE 57 1.269 6.598 1.490 1175 3HD1 ILE 57 3HD1 ILE 57 2.342 6.560 0.090 1176 H VAL 58 H VAL 58 5.104 5.831 4.890 1177 HA VAL 58 HA VAL 58 6.145 3.261 5.878 1178 HB VAL 58 HB VAL 58 7.952 4.770 5.620 1179 1HG1 VAL 58 1HG1 VAL 58 6.937 6.872 7.412 1180 2HG1 VAL 58 2HG1 VAL 58 6.149 6.762 5.837 1181 3HG1 VAL 58 3HG1 VAL 58 7.895 6.997 5.935 1182 1HG2 VAL 58 1HG2 VAL 58 8.396 3.650 7.577 1183 2HG2 VAL 58 2HG2 VAL 58 7.016 4.353 8.420 1184 3HG2 VAL 58 3HG2 VAL 58 8.461 5.323 8.132 1185 H GLY 59 H GLY 59 5.502 2.468 7.800 1186 1HA GLY 59 2HA GLY 59 4.308 4.089 9.839 1187 2HA GLY 59 1HA GLY 59 3.125 3.107 8.986 1188 H ARG 60 H ARG 60 2.604 1.596 10.487 1189 HA ARG 60 HA ARG 60 4.397 -0.521 10.981 1190 1HB ARG 60 2HB ARG 60 4.508 -0.245 13.455 1191 2HB ARG 60 1HB ARG 60 5.428 0.945 12.547 1192 1HG ARG 60 2HG ARG 60 3.575 2.547 12.838 1193 2HG ARG 60 1HG ARG 60 2.748 1.358 13.846 1194 1HD ARG 60 2HD ARG 60 5.465 1.719 14.724 1195 2HD ARG 60 1HD ARG 60 4.628 3.270 14.652 1196 HE ARG 60 HE ARG 60 2.881 2.166 16.069 1197 1HH1 ARG 60 1HH1 ARG 60 6.182 1.053 16.071 1198 2HH1 ARG 60 2HH1 ARG 60 6.102 0.413 17.678 1199 1HH2 ARG 60 1HH2 ARG 60 2.766 1.334 18.187 1200 2HH2 ARG 60 2HH2 ARG 60 4.158 0.572 18.882 1201 H ASN 61 H ASN 61 1.710 -0.101 10.037 1202 HA ASN 61 HA ASN 61 0.374 -2.263 10.947 1203 1HB ASN 61 2HB ASN 61 0.281 -0.155 12.937 1204 2HB ASN 61 1HB ASN 61 -1.336 -0.599 12.403 1205 1HD2 ASN 61 1HD2 ASN 61 -2.160 -1.887 13.886 1206 2HD2 ASN 61 2HD2 ASN 61 -1.375 -3.255 14.592 1207 H PHE 62 H PHE 62 0.714 -0.325 8.754 1208 HA PHE 62 HA PHE 62 -2.066 0.428 8.206 1209 1HB PHE 62 2HB PHE 62 -1.205 1.867 6.483 1210 2HB PHE 62 1HB PHE 62 -0.244 2.131 7.934 1211 HD1 PHE 62 1HD PHE 62 1.851 0.418 8.067 1212 HD2 PHE 62 2HD PHE 62 -0.046 1.801 4.518 1213 HE1 PHE 62 1HE PHE 62 3.902 -0.052 6.791 1214 HE2 PHE 62 2HE PHE 62 2.001 1.333 3.236 1215 HZ PHE 62 HZ PHE 62 3.979 0.404 4.372 1216 H GLY 63 H GLY 63 -2.800 0.121 5.915 1217 1HA GLY 63 2HA GLY 63 -1.822 -2.468 4.874 1218 2HA GLY 63 1HA GLY 63 -3.526 -2.033 4.906 1219 H SER 64 H SER 64 -0.415 -1.325 3.432 1220 HA SER 64 HA SER 64 -1.536 0.493 1.507 1221 1HB SER 64 2HB SER 64 0.828 0.146 0.455 1222 2HB SER 64 1HB SER 64 0.683 1.009 1.986 1223 HG SER 64 HG SER 64 1.380 -0.785 3.063 1224 H TYR 65 H TYR 65 -2.047 0.137 -0.589 1225 HA TYR 65 HA TYR 65 -1.516 -2.439 -1.821 1226 1HB TYR 65 2HB TYR 65 -3.815 -2.354 -0.496 1227 2HB TYR 65 1HB TYR 65 -4.356 -1.527 -1.953 1228 HD1 TYR 65 1HD TYR 65 -4.900 -2.743 -3.890 1229 HD2 TYR 65 2HD TYR 65 -2.786 -4.666 -0.737 1230 HE1 TYR 65 1HE TYR 65 -5.213 -4.911 -5.009 1231 HE2 TYR 65 2HE TYR 65 -3.094 -6.837 -1.847 1232 HH TYR 65 HH TYR 65 -5.257 -7.309 -4.403 1233 H VAL 66 H VAL 66 -0.204 -0.553 -2.798 1234 HA VAL 66 HA VAL 66 -1.747 0.867 -4.849 1235 HB VAL 66 HB VAL 66 0.334 2.183 -5.199 1236 1HG1 VAL 66 1HG1 VAL 66 -1.280 2.133 -2.752 1237 2HG1 VAL 66 2HG1 VAL 66 -0.918 3.465 -3.849 1238 3HG1 VAL 66 3HG1 VAL 66 0.246 3.006 -2.606 1239 1HG2 VAL 66 1HG2 VAL 66 1.315 0.514 -2.891 1240 2HG2 VAL 66 2HG2 VAL 66 2.077 2.019 -3.406 1241 3HG2 VAL 66 3HG2 VAL 66 2.015 0.640 -4.505 1242 H THR 67 H THR 67 -1.376 0.606 -7.009 1243 HA THR 67 HA THR 67 0.007 -1.816 -7.788 1244 HB THR 67 HB THR 67 -1.725 0.156 -9.270 1245 HG1 THR 67 1HG THR 67 -2.058 -2.295 -8.074 1246 1HG2 THR 67 1HG2 THR 67 -0.118 -0.577 -10.897 1247 2HG2 THR 67 2HG2 THR 67 -1.659 -1.385 -11.186 1248 3HG2 THR 67 3HG2 THR 67 -0.338 -2.257 -10.408 1249 H HIS 68 H HIS 68 2.187 -1.450 -7.645 1250 HA HIS 68 HA HIS 68 3.551 0.858 -8.408 1251 1HB HIS 68 2HB HIS 68 5.562 -0.492 -8.399 1252 2HB HIS 68 1HB HIS 68 4.531 -0.984 -7.060 1253 HD1 HIS 68 1HD HIS 68 2.764 -3.067 -8.095 1254 HD2 HIS 68 2HD HIS 68 6.668 -2.697 -9.472 1255 HE1 HIS 68 1HE HIS 68 3.356 -5.316 -9.053 1256 HE2 HIS 68 2HE HIS 68 5.741 -5.085 -9.830 1257 H GLU 69 H GLU 69 5.534 -0.426 -10.187 1258 HA GLU 69 HA GLU 69 4.585 -1.354 -12.574 1259 1HB GLU 69 2HB GLU 69 4.690 1.005 -13.808 1260 2HB GLU 69 1HB GLU 69 3.192 0.354 -13.160 1261 1HG GLU 69 2HG GLU 69 4.212 1.690 -11.009 1262 2HG GLU 69 1HG GLU 69 4.721 2.703 -12.359 1263 H THR 70 H THR 70 6.408 -2.139 -13.350 1264 HA THR 70 HA THR 70 8.476 -2.180 -14.314 1265 HB THR 70 HB THR 70 7.890 0.435 -14.582 1266 HG1 THR 70 1HG THR 70 10.456 -0.669 -15.045 1267 1HG2 THR 70 1HG2 THR 70 9.359 1.910 -13.643 1268 2HG2 THR 70 2HG2 THR 70 10.561 0.666 -13.295 1269 3HG2 THR 70 3HG2 THR 70 9.110 0.794 -12.300 1270 H LYS 71 H LYS 71 8.659 -0.125 -11.383 1271 HA LYS 71 HA LYS 71 9.756 -2.023 -9.693 1272 1HB LYS 71 2HB LYS 71 12.180 -0.806 -9.842 1273 2HB LYS 71 1HB LYS 71 11.793 -2.341 -10.610 1274 1HG LYS 71 2HG LYS 71 10.968 -0.535 -12.488 1275 2HG LYS 71 1HG LYS 71 12.384 0.257 -11.796 1276 1HD LYS 71 2HD LYS 71 13.475 -2.104 -12.080 1277 2HD LYS 71 1HD LYS 71 12.183 -2.339 -13.259 1278 1HE LYS 71 2HE LYS 71 13.148 0.149 -13.903 1279 2HE LYS 71 1HE LYS 71 14.607 -0.717 -13.421 1280 1HZ LYS 71 1HZ LYS 71 14.470 -1.236 -15.633 1281 2HZ LYS 71 2HZ LYS 71 12.779 -1.260 -15.655 1282 3HZ LYS 71 3HZ LYS 71 13.634 -2.547 -14.965 1283 H HIS 72 H HIS 72 11.710 -0.430 -8.361 1284 HA HIS 72 HA HIS 72 11.882 1.212 -6.800 1285 1HB HIS 72 2HB HIS 72 9.896 2.704 -8.522 1286 2HB HIS 72 1HB HIS 72 10.945 3.402 -7.293 1287 HD1 HIS 72 1HD HIS 72 11.041 4.375 -10.219 1288 HD2 HIS 72 2HD HIS 72 13.539 1.457 -8.633 1289 HE1 HIS 72 1HE HIS 72 13.078 4.361 -11.694 1290 HE2 HIS 72 2HE HIS 72 14.585 2.599 -10.705 1291 H PHE 73 H PHE 73 9.584 -0.823 -6.889 1292 HA PHE 73 HA PHE 73 7.856 0.520 -4.914 1293 1HB PHE 73 2HB PHE 73 6.441 -0.114 -6.681 1294 2HB PHE 73 1HB PHE 73 7.283 -1.637 -6.931 1295 HD1 PHE 73 1HD PHE 73 5.891 -0.119 -3.829 1296 HD2 PHE 73 2HD PHE 73 5.722 -3.308 -6.641 1297 HE1 PHE 73 1HE PHE 73 4.226 -1.265 -2.425 1298 HE2 PHE 73 2HE PHE 73 4.058 -4.459 -5.243 1299 HZ PHE 73 HZ PHE 73 3.307 -3.437 -3.132 1300 H ILE 74 H ILE 74 9.540 0.008 -3.328 1301 HA ILE 74 HA ILE 74 9.794 -2.825 -2.666 1302 HB ILE 74 HB ILE 74 11.799 -1.265 -2.729 1303 1HG1 ILE 74 2HG1 ILE 74 11.078 -3.021 -0.396 1304 2HG1 ILE 74 1HG1 ILE 74 12.135 -3.375 -1.754 1305 1HG2 ILE 74 1HG2 ILE 74 11.446 0.677 -1.654 1306 2HG2 ILE 74 2HG2 ILE 74 11.903 -0.237 -0.217 1307 3HG2 ILE 74 3HG2 ILE 74 10.200 -0.011 -0.611 1308 1HD1 ILE 74 1HD1 ILE 74 12.861 -1.288 0.264 1309 2HD1 ILE 74 2HD1 ILE 74 13.906 -2.186 -0.838 1310 3HD1 ILE 74 3HD1 ILE 74 13.181 -3.000 0.547 1311 H TYR 75 H TYR 75 9.305 -3.657 -0.641 1312 HA TYR 75 HA TYR 75 7.801 -1.978 1.216 1313 1HB TYR 75 2HB TYR 75 6.255 -3.233 -0.433 1314 2HB TYR 75 1HB TYR 75 6.731 -4.686 0.439 1315 HD1 TYR 75 1HD TYR 75 3.989 -3.026 0.116 1316 HD2 TYR 75 2HD TYR 75 6.844 -3.591 3.220 1317 HE1 TYR 75 1HE TYR 75 2.246 -2.580 1.792 1318 HE2 TYR 75 2HE TYR 75 5.108 -3.146 4.904 1319 HH TYR 75 HH TYR 75 1.769 -2.976 4.103 1320 H PHE 76 H PHE 76 8.498 -2.322 3.222 1321 HA PHE 76 HA PHE 76 9.312 -4.954 4.097 1322 1HB PHE 76 2HB PHE 76 11.541 -3.989 4.930 1323 2HB PHE 76 1HB PHE 76 11.410 -4.366 3.218 1324 HD1 PHE 76 1HD PHE 76 10.886 -2.464 1.614 1325 HD2 PHE 76 2HD PHE 76 12.121 -1.843 5.640 1326 HE1 PHE 76 1HE PHE 76 11.538 -0.160 1.057 1327 HE2 PHE 76 2HE PHE 76 12.772 0.462 5.087 1328 HZ PHE 76 HZ PHE 76 12.481 1.307 2.794 1329 H TYR 77 H TYR 77 10.006 -4.912 6.425 1330 HA TYR 77 HA TYR 77 8.625 -2.753 7.881 1331 1HB TYR 77 2HB TYR 77 7.199 -4.643 8.079 1332 2HB TYR 77 1HB TYR 77 8.557 -5.728 8.371 1333 HD1 TYR 77 1HD TYR 77 9.795 -5.569 10.550 1334 HD2 TYR 77 2HD TYR 77 6.137 -3.511 9.861 1335 HE1 TYR 77 1HE TYR 77 9.509 -5.279 12.975 1336 HE2 TYR 77 2HE TYR 77 5.839 -3.216 12.283 1337 HH TYR 77 HH TYR 77 7.496 -3.129 14.343 1338 H LEU 78 H LEU 78 10.120 -1.592 8.899 1339 HA LEU 78 HA LEU 78 12.683 -2.625 9.619 1340 1HB LEU 78 2HB LEU 78 11.291 -0.031 10.269 1341 2HB LEU 78 1HB LEU 78 12.929 -0.396 10.773 1342 HG LEU 78 HG LEU 78 12.577 1.044 8.666 1343 1HD1 LEU 78 1HD1 LEU 78 14.575 0.134 7.631 1344 2HD1 LEU 78 2HD1 LEU 78 14.383 -1.365 8.540 1345 3HD1 LEU 78 3HD1 LEU 78 14.731 0.142 9.388 1346 1HD2 LEU 78 1HD2 LEU 78 11.930 -1.697 7.597 1347 2HD2 LEU 78 2HD2 LEU 78 12.465 -0.357 6.582 1348 3HD2 LEU 78 3HD2 LEU 78 10.956 -0.231 7.486 1349 H GLY 79 H GLY 79 13.521 -2.240 11.925 1350 1HA GLY 79 2HA GLY 79 12.805 -4.009 13.720 1351 2HA GLY 79 1HA GLY 79 13.221 -2.389 14.256 1352 H GLN 80 H GLN 80 11.077 -0.899 13.551 1353 HA GLN 80 HA GLN 80 8.677 -2.230 14.526 1354 1HB GLN 80 2HB GLN 80 10.191 -1.027 16.388 1355 2HB GLN 80 1HB GLN 80 9.273 0.368 15.835 1356 1HG GLN 80 2HG GLN 80 8.064 -0.478 17.643 1357 2HG GLN 80 1HG GLN 80 7.194 -1.037 16.215 1358 1HE2 GLN 80 1HE2 GLN 80 9.091 -1.942 18.953 1359 2HE2 GLN 80 2HE2 GLN 80 8.881 -3.650 18.805 1360 H VAL 81 H VAL 81 9.365 -1.238 11.979 1361 HA VAL 81 HA VAL 81 7.174 0.622 11.586 1362 HB VAL 81 HB VAL 81 9.988 1.309 10.727 1363 1HG1 VAL 81 1HG1 VAL 81 8.702 3.458 9.975 1364 2HG1 VAL 81 2HG1 VAL 81 7.325 2.359 9.886 1365 3HG1 VAL 81 3HG1 VAL 81 8.767 2.046 8.920 1366 1HG2 VAL 81 1HG2 VAL 81 10.053 2.842 12.380 1367 2HG2 VAL 81 2HG2 VAL 81 8.846 1.796 13.128 1368 3HG2 VAL 81 3HG2 VAL 81 8.339 3.229 12.233 1369 H ALA 82 H ALA 82 6.894 1.047 9.153 1370 HA ALA 82 HA ALA 82 7.860 -1.169 7.507 1371 1HB ALA 82 1HB ALA 82 5.247 -1.063 6.723 1372 2HB ALA 82 2HB ALA 82 5.115 -0.844 8.468 1373 3HB ALA 82 3HB ALA 82 5.930 -2.266 7.817 1374 H ILE 83 H ILE 83 8.730 -0.240 5.779 1375 HA ILE 83 HA ILE 83 7.603 2.287 4.804 1376 HB ILE 83 HB ILE 83 10.094 1.285 3.585 1377 1HG1 ILE 83 2HG1 ILE 83 10.317 0.627 6.000 1378 2HG1 ILE 83 1HG1 ILE 83 11.514 1.797 5.456 1379 1HG2 ILE 83 1HG2 ILE 83 8.781 3.814 4.249 1380 2HG2 ILE 83 2HG2 ILE 83 9.847 3.405 2.905 1381 3HG2 ILE 83 3HG2 ILE 83 10.531 3.821 4.478 1382 1HD1 ILE 83 1HD1 ILE 83 9.544 2.007 7.554 1383 2HD1 ILE 83 2HD1 ILE 83 9.442 3.355 6.421 1384 3HD1 ILE 83 3HD1 ILE 83 10.966 2.999 7.233 1385 H LEU 84 H LEU 84 6.562 2.418 2.926 1386 HA LEU 84 HA LEU 84 6.667 0.097 1.113 1387 1HB LEU 84 2HB LEU 84 4.491 -0.010 1.791 1388 2HB LEU 84 1HB LEU 84 4.405 1.702 2.157 1389 HG LEU 84 HG LEU 84 4.540 1.864 -0.514 1390 1HD1 LEU 84 1HD1 LEU 84 4.677 -0.482 -0.955 1391 2HD1 LEU 84 2HD1 LEU 84 3.081 0.079 -1.453 1392 3HD1 LEU 84 3HD1 LEU 84 3.272 -0.806 0.061 1393 1HD2 LEU 84 1HD2 LEU 84 1.828 1.327 0.001 1394 2HD2 LEU 84 2HD2 LEU 84 2.639 2.894 -0.013 1395 3HD2 LEU 84 3HD2 LEU 84 2.501 1.987 1.492 1396 H LEU 85 H LEU 85 8.360 1.005 -0.121 1397 HA LEU 85 HA LEU 85 7.917 3.590 -1.377 1398 1HB LEU 85 2HB LEU 85 10.187 2.030 -0.697 1399 2HB LEU 85 1HB LEU 85 10.189 2.220 -2.441 1400 HG LEU 85 HG LEU 85 9.832 4.744 -1.925 1401 1HD1 LEU 85 1HD1 LEU 85 10.410 5.550 0.151 1402 2HD1 LEU 85 2HD1 LEU 85 11.287 4.086 0.595 1403 3HD1 LEU 85 3HD1 LEU 85 9.524 4.084 0.573 1404 1HD2 LEU 85 1HD2 LEU 85 12.224 3.072 -2.007 1405 2HD2 LEU 85 2HD2 LEU 85 12.479 4.639 -1.237 1406 3HD2 LEU 85 3HD2 LEU 85 11.845 4.555 -2.882 1407 H PHE 86 H PHE 86 7.306 3.902 -3.438 1408 HA PHE 86 HA PHE 86 7.500 1.841 -5.422 1409 1HB PHE 86 2HB PHE 86 5.441 0.961 -5.359 1410 2HB PHE 86 1HB PHE 86 5.213 1.785 -3.825 1411 HD1 PHE 86 1HD PHE 86 4.677 2.063 -7.465 1412 HD2 PHE 86 2HD PHE 86 3.661 3.546 -3.609 1413 HE1 PHE 86 1HE PHE 86 2.833 3.354 -8.455 1414 HE2 PHE 86 2HE PHE 86 1.812 4.840 -4.592 1415 HZ PHE 86 HZ PHE 86 1.397 4.746 -7.018 1416 H LYS 87 H LYS 87 7.843 2.778 -7.332 1417 HA LYS 87 HA LYS 87 7.053 5.601 -7.631 1418 1HB LYS 87 2HB LYS 87 9.530 4.251 -8.053 1419 2HB LYS 87 1HB LYS 87 8.962 4.857 -9.601 1420 1HG LYS 87 2HG LYS 87 8.834 7.091 -8.730 1421 2HG LYS 87 1HG LYS 87 9.251 6.516 -7.113 1422 1HD LYS 87 2HD LYS 87 11.318 7.178 -7.801 1423 2HD LYS 87 1HD LYS 87 11.334 5.523 -8.414 1424 1HE LYS 87 2HE LYS 87 11.052 8.097 -9.890 1425 2HE LYS 87 1HE LYS 87 12.034 6.683 -10.270 1426 1HZ LYS 87 1HZ LYS 87 9.075 6.810 -10.496 1427 2HZ LYS 87 2HZ LYS 87 10.052 5.498 -10.922 1428 3HZ LYS 87 3HZ LYS 87 10.157 6.946 -11.789 1429 H SER 88 H SER 88 6.014 6.292 -9.468 1430 HA SER 88 HA SER 88 4.636 4.234 -10.970 1431 1HB SER 88 2HB SER 88 4.035 6.871 -10.146 1432 2HB SER 88 1HB SER 88 4.042 6.877 -11.909 1433 HG SER 88 HG SER 88 2.575 5.102 -10.247 1434 H GLY 89 H GLY 89 7.534 4.971 -11.284 1435 1HA GLY 89 2HA GLY 89 8.014 6.216 -13.740 1436 2HA GLY 89 1HA GLY 89 9.075 5.032 -12.990 Start of MODEL 6 1 1H MET 1 1HT MET 1 -26.903 0.176 4.853 2 2H MET 1 2HT MET 1 -25.762 1.378 5.302 3 3H MET 1 3HT MET 1 -26.339 0.261 6.469 4 HA MET 1 HA MET 1 -25.202 -1.486 5.561 5 1HB MET 1 2HB MET 1 -23.874 -0.777 3.321 6 2HB MET 1 1HB MET 1 -25.462 -1.532 3.306 7 1HG MET 1 2HG MET 1 -26.381 0.246 2.361 8 2HG MET 1 1HG MET 1 -25.693 1.325 3.575 9 1HE MET 1 1HE MET 1 -23.370 3.375 1.682 10 2HE MET 1 2HE MET 1 -24.168 2.973 3.204 11 3HE MET 1 3HE MET 1 -25.130 3.428 1.796 12 H CYS 2 H CYS 2 -23.370 1.112 4.059 13 HA CYS 2 HA CYS 2 -21.250 0.703 6.021 14 1HB CYS 2 2HB CYS 2 -21.115 2.474 3.586 15 2HB CYS 2 1HB CYS 2 -19.783 1.746 4.477 16 HG CYS 2 HG CYS 2 -21.219 -0.536 3.409 17 H ASP 3 H ASP 3 -22.714 3.542 4.420 18 HA ASP 3 HA ASP 3 -23.297 5.593 5.225 19 1HB ASP 3 2HB ASP 3 -24.272 4.189 7.113 20 2HB ASP 3 1HB ASP 3 -22.799 4.542 8.009 21 H ARG 4 H ARG 4 -21.147 6.019 4.191 22 HA ARG 4 HA ARG 4 -19.108 7.030 4.151 23 1HB ARG 4 2HB ARG 4 -20.722 8.608 5.572 24 2HB ARG 4 1HB ARG 4 -19.558 8.232 6.835 25 1HG ARG 4 2HG ARG 4 -18.571 10.086 5.992 26 2HG ARG 4 1HG ARG 4 -17.842 8.888 4.920 27 1HD ARG 4 2HD ARG 4 -18.768 9.854 3.148 28 2HD ARG 4 1HD ARG 4 -20.373 9.699 3.862 29 HE ARG 4 HE ARG 4 -18.649 12.041 3.924 30 1HH1 ARG 4 1HH1 ARG 4 -21.545 10.469 5.046 31 2HH1 ARG 4 2HH1 ARG 4 -22.304 11.941 5.553 32 1HH2 ARG 4 1HH2 ARG 4 -19.634 13.986 4.592 33 2HH2 ARG 4 2HH2 ARG 4 -21.217 13.942 5.295 34 H LYS 5 H LYS 5 -19.147 6.966 7.666 35 HA LYS 5 HA LYS 5 -17.731 6.035 9.186 36 1HB LYS 5 2HB LYS 5 -18.816 3.973 7.746 37 2HB LYS 5 1HB LYS 5 -17.095 3.664 7.571 38 1HG LYS 5 2HG LYS 5 -17.986 4.283 10.302 39 2HG LYS 5 1HG LYS 5 -18.599 2.774 9.623 40 1HD LYS 5 2HD LYS 5 -16.119 2.390 8.935 41 2HD LYS 5 1HD LYS 5 -15.776 3.598 10.176 42 1HE LYS 5 2HE LYS 5 -17.025 0.887 10.474 43 2HE LYS 5 1HE LYS 5 -15.620 1.556 11.304 44 1HZ LYS 5 1HZ LYS 5 -18.245 1.529 12.188 45 2HZ LYS 5 2HZ LYS 5 -17.895 3.145 11.830 46 3HZ LYS 5 3HZ LYS 5 -16.922 2.291 12.918 47 H ALA 6 H ALA 6 -15.990 7.375 9.152 48 HA ALA 6 HA ALA 6 -13.477 6.548 8.673 49 1HB ALA 6 1HB ALA 6 -14.639 7.673 6.143 50 2HB ALA 6 2HB ALA 6 -13.750 6.168 6.376 51 3HB ALA 6 3HB ALA 6 -12.908 7.714 6.472 52 H VAL 7 H VAL 7 -11.855 8.369 8.417 53 HA VAL 7 HA VAL 7 -12.981 10.933 9.317 54 HB VAL 7 HB VAL 7 -10.574 9.544 10.506 55 1HG1 VAL 7 1HG1 VAL 7 -10.194 11.940 10.310 56 2HG1 VAL 7 2HG1 VAL 7 -10.429 11.485 11.997 57 3HG1 VAL 7 3HG1 VAL 7 -11.735 12.265 11.103 58 1HG2 VAL 7 1HG2 VAL 7 -12.197 10.103 12.583 59 2HG2 VAL 7 2HG2 VAL 7 -12.217 8.570 11.712 60 3HG2 VAL 7 3HG2 VAL 7 -13.395 9.823 11.319 61 H ILE 8 H ILE 8 -12.539 10.947 6.804 62 HA ILE 8 HA ILE 8 -10.187 11.046 5.540 63 HB ILE 8 HB ILE 8 -12.686 12.533 5.245 64 1HG1 ILE 8 2HG1 ILE 8 -11.648 12.112 2.748 65 2HG1 ILE 8 1HG1 ILE 8 -10.845 10.859 3.686 66 1HG2 ILE 8 1HG2 ILE 8 -11.973 14.315 3.860 67 2HG2 ILE 8 2HG2 ILE 8 -10.302 13.751 3.870 68 3HG2 ILE 8 3HG2 ILE 8 -11.014 14.424 5.336 69 1HD1 ILE 8 1HD1 ILE 8 -13.220 10.529 2.520 70 2HD1 ILE 8 2HD1 ILE 8 -13.753 11.136 4.088 71 3HD1 ILE 8 3HD1 ILE 8 -12.746 9.691 3.997 72 H LYS 9 H LYS 9 -8.318 12.119 5.589 73 HA LYS 9 HA LYS 9 -8.098 14.404 7.440 74 1HB LYS 9 2HB LYS 9 -6.134 12.222 6.753 75 2HB LYS 9 1HB LYS 9 -5.624 13.728 7.503 76 1HG LYS 9 2HG LYS 9 -7.823 12.155 8.755 77 2HG LYS 9 1HG LYS 9 -6.151 11.626 8.956 78 1HD LYS 9 2HD LYS 9 -6.161 13.028 10.715 79 2HD LYS 9 1HD LYS 9 -5.932 14.281 9.492 80 1HE LYS 9 2HE LYS 9 -8.429 14.477 9.367 81 2HE LYS 9 1HE LYS 9 -8.519 13.402 10.760 82 1HZ LYS 9 1HZ LYS 9 -8.634 15.603 11.569 83 2HZ LYS 9 2HZ LYS 9 -7.311 16.106 10.641 84 3HZ LYS 9 3HZ LYS 9 -7.079 15.051 11.942 85 H ASN 10 H ASN 10 -7.836 13.318 4.255 86 HA ASN 10 HA ASN 10 -7.331 15.878 3.198 87 1HB ASN 10 2HB ASN 10 -4.982 14.320 3.848 88 2HB ASN 10 1HB ASN 10 -5.084 14.580 2.109 89 1HD2 ASN 10 1HD2 ASN 10 -3.034 15.744 2.827 90 2HD2 ASN 10 2HD2 ASN 10 -3.206 17.428 3.178 91 H ALA 11 H ALA 11 -7.251 15.817 0.806 92 HA ALA 11 HA ALA 11 -7.364 13.560 -0.758 93 1HB ALA 11 1HB ALA 11 -10.132 14.310 0.168 94 2HB ALA 11 2HB ALA 11 -9.246 12.862 0.648 95 3HB ALA 11 3HB ALA 11 -9.725 13.086 -1.034 96 H ASP 12 H ASP 12 -6.832 14.490 -2.615 97 HA ASP 12 HA ASP 12 -8.056 17.044 -3.351 98 1HB ASP 12 2HB ASP 12 -5.616 15.587 -4.378 99 2HB ASP 12 1HB ASP 12 -6.268 17.025 -5.158 100 H MET 13 H MET 13 -9.410 14.453 -3.469 101 HA MET 13 HA MET 13 -9.829 14.169 -6.365 102 1HB MET 13 2HB MET 13 -9.396 12.023 -5.711 103 2HB MET 13 1HB MET 13 -9.947 12.296 -4.066 104 1HG MET 13 2HG MET 13 -12.259 12.478 -5.565 105 2HG MET 13 1HG MET 13 -11.353 11.180 -6.340 106 1HE MET 13 1HE MET 13 -10.152 9.505 -5.156 107 2HE MET 13 2HE MET 13 -11.219 8.367 -4.333 108 3HE MET 13 3HE MET 13 -10.098 9.356 -3.400 109 H SER 14 H SER 14 -12.144 13.589 -6.957 110 HA SER 14 HA SER 14 -13.847 15.694 -6.380 111 1HB SER 14 2HB SER 14 -13.939 13.327 -7.955 112 2HB SER 14 1HB SER 14 -15.439 13.413 -7.032 113 HG SER 14 HG SER 14 -15.987 14.735 -8.582 114 H GLU 15 H GLU 15 -15.659 15.944 -5.065 115 HA GLU 15 HA GLU 15 -15.499 14.965 -2.467 116 1HB GLU 15 2HB GLU 15 -17.111 16.793 -3.873 117 2HB GLU 15 1HB GLU 15 -18.221 15.648 -3.133 118 1HG GLU 15 2HG GLU 15 -16.814 16.069 -0.992 119 2HG GLU 15 1HG GLU 15 -16.305 17.529 -1.838 120 H GLU 16 H GLU 16 -18.009 14.150 -4.869 121 HA GLU 16 HA GLU 16 -19.187 12.068 -3.472 122 1HB GLU 16 2HB GLU 16 -18.889 12.455 -6.455 123 2HB GLU 16 1HB GLU 16 -19.939 11.250 -5.722 124 1HG GLU 16 2HG GLU 16 -21.157 13.255 -6.408 125 2HG GLU 16 1HG GLU 16 -21.253 12.978 -4.670 126 H MET 17 H MET 17 -16.182 12.159 -5.178 127 HA MET 17 HA MET 17 -15.908 9.313 -5.451 128 1HB MET 17 2HB MET 17 -14.053 11.645 -5.841 129 2HB MET 17 1HB MET 17 -13.457 9.992 -5.905 130 1HG MET 17 2HG MET 17 -15.568 11.206 -7.671 131 2HG MET 17 1HG MET 17 -13.913 10.805 -8.127 132 1HE MET 17 1HE MET 17 -13.489 7.300 -8.106 133 2HE MET 17 2HE MET 17 -14.309 7.214 -6.546 134 3HE MET 17 3HE MET 17 -13.185 8.531 -6.881 135 H GLN 18 H GLN 18 -14.568 11.784 -3.277 136 HA GLN 18 HA GLN 18 -12.939 10.058 -1.776 137 1HB GLN 18 2HB GLN 18 -13.571 11.956 0.045 138 2HB GLN 18 1HB GLN 18 -12.364 12.171 -1.215 139 1HG GLN 18 2HG GLN 18 -14.751 12.871 -2.433 140 2HG GLN 18 1HG GLN 18 -14.874 13.535 -0.803 141 1HE2 GLN 18 1HE2 GLN 18 -11.692 13.155 -1.853 142 2HE2 GLN 18 2HE2 GLN 18 -11.382 14.792 -2.309 143 H GLN 19 H GLN 19 -16.351 10.820 -1.581 144 HA GLN 19 HA GLN 19 -16.752 9.545 0.955 145 1HB GLN 19 2HB GLN 19 -18.463 10.817 -1.113 146 2HB GLN 19 1HB GLN 19 -19.232 9.609 -0.093 147 1HG GLN 19 2HG GLN 19 -18.837 10.847 1.859 148 2HG GLN 19 1HG GLN 19 -17.665 11.891 1.058 149 1HE2 GLN 19 1HE2 GLN 19 -19.016 12.550 -1.234 150 2HE2 GLN 19 2HE2 GLN 19 -20.408 13.492 -0.836 151 H ASP 20 H ASP 20 -17.132 8.693 -2.437 152 HA ASP 20 HA ASP 20 -18.261 6.128 -1.961 153 1HB ASP 20 2HB ASP 20 -17.116 7.560 -4.314 154 2HB ASP 20 1HB ASP 20 -17.230 5.804 -4.404 155 H SER 21 H SER 21 -15.053 7.437 -2.149 156 HA SER 21 HA SER 21 -13.610 5.032 -2.455 157 1HB SER 21 2HB SER 21 -12.147 6.739 -2.801 158 2HB SER 21 1HB SER 21 -13.001 7.824 -1.705 159 HG SER 21 HG SER 21 -11.586 5.641 -0.656 160 H VAL 22 H VAL 22 -14.472 6.940 0.423 161 HA VAL 22 HA VAL 22 -13.338 5.287 2.354 162 HB VAL 22 HB VAL 22 -15.834 6.983 2.521 163 1HG1 VAL 22 1HG1 VAL 22 -15.511 5.026 4.216 164 2HG1 VAL 22 2HG1 VAL 22 -15.970 6.628 4.794 165 3HG1 VAL 22 3HG1 VAL 22 -14.294 6.093 4.920 166 1HG2 VAL 22 1HG2 VAL 22 -13.702 7.988 4.077 167 2HG2 VAL 22 2HG2 VAL 22 -14.420 8.693 2.629 168 3HG2 VAL 22 3HG2 VAL 22 -13.047 7.595 2.489 169 H GLU 23 H GLU 23 -16.594 5.224 0.934 170 HA GLU 23 HA GLU 23 -17.668 3.122 2.391 171 1HB GLU 23 2HB GLU 23 -18.128 3.933 -0.482 172 2HB GLU 23 1HB GLU 23 -19.091 2.716 0.344 173 1HG GLU 23 2HG GLU 23 -18.834 5.307 1.721 174 2HG GLU 23 1HG GLU 23 -19.749 5.315 0.214 175 H CYS 24 H CYS 24 -15.578 3.075 -0.446 176 HA CYS 24 HA CYS 24 -15.692 0.284 -0.905 177 1HB CYS 24 2HB CYS 24 -14.544 2.435 -2.196 178 2HB CYS 24 1HB CYS 24 -13.142 1.561 -1.588 179 HG CYS 24 HG CYS 24 -14.345 0.833 -4.052 180 H ALA 25 H ALA 25 -13.574 2.341 1.034 181 HA ALA 25 HA ALA 25 -11.803 0.277 1.856 182 1HB ALA 25 1HB ALA 25 -11.806 2.996 2.101 183 2HB ALA 25 2HB ALA 25 -10.736 1.913 2.992 184 3HB ALA 25 3HB ALA 25 -12.223 2.495 3.739 185 H THR 26 H THR 26 -14.891 1.447 2.784 186 HA THR 26 HA THR 26 -15.064 0.156 5.319 187 HB THR 26 HB THR 26 -17.481 0.808 3.689 188 HG1 THR 26 1HG THR 26 -15.784 2.750 4.864 189 1HG2 THR 26 1HG2 THR 26 -17.815 0.038 5.949 190 2HG2 THR 26 2HG2 THR 26 -18.292 1.729 5.791 191 3HG2 THR 26 3HG2 THR 26 -16.759 1.313 6.558 192 H GLN 27 H GLN 27 -16.092 -0.572 2.020 193 HA GLN 27 HA GLN 27 -17.573 -2.865 2.433 194 1HB GLN 27 2HB GLN 27 -15.794 -1.959 0.193 195 2HB GLN 27 1HB GLN 27 -16.517 -3.561 0.142 196 1HG GLN 27 2HG GLN 27 -18.550 -1.696 0.800 197 2HG GLN 27 1HG GLN 27 -17.658 -1.079 -0.591 198 1HE2 GLN 27 1HE2 GLN 27 -17.050 -4.110 -1.022 199 2HE2 GLN 27 2HE2 GLN 27 -18.432 -4.642 -1.912 200 H ALA 28 H ALA 28 -14.084 -2.489 2.063 201 HA ALA 28 HA ALA 28 -13.578 -5.293 2.543 202 1HB ALA 28 1HB ALA 28 -11.242 -4.722 2.311 203 2HB ALA 28 2HB ALA 28 -11.619 -3.003 2.417 204 3HB ALA 28 3HB ALA 28 -12.167 -3.940 1.028 205 H LEU 29 H LEU 29 -13.938 -2.440 4.421 206 HA LEU 29 HA LEU 29 -12.408 -3.304 6.684 207 1HB LEU 29 2HB LEU 29 -14.290 -1.063 6.119 208 2HB LEU 29 1HB LEU 29 -13.864 -1.432 7.781 209 HG LEU 29 HG LEU 29 -11.677 -1.091 5.791 210 1HD1 LEU 29 1HD1 LEU 29 -12.969 1.238 7.177 211 2HD1 LEU 29 2HD1 LEU 29 -13.319 0.790 5.507 212 3HD1 LEU 29 3HD1 LEU 29 -11.683 1.261 5.969 213 1HD2 LEU 29 1HD2 LEU 29 -11.051 0.194 8.146 214 2HD2 LEU 29 2HD2 LEU 29 -10.577 -1.445 7.702 215 3HD2 LEU 29 3HD2 LEU 29 -12.019 -1.181 8.681 216 H GLU 30 H GLU 30 -15.712 -3.613 5.611 217 HA GLU 30 HA GLU 30 -16.593 -4.640 8.187 218 1HB GLU 30 2HB GLU 30 -17.878 -3.538 5.806 219 2HB GLU 30 1HB GLU 30 -18.698 -4.962 6.430 220 1HG GLU 30 2HG GLU 30 -18.159 -3.423 8.678 221 2HG GLU 30 1HG GLU 30 -18.651 -2.263 7.444 222 H LYS 31 H LYS 31 -15.905 -5.764 4.933 223 HA LYS 31 HA LYS 31 -16.869 -8.433 5.478 224 1HB LYS 31 2HB LYS 31 -15.836 -6.963 3.143 225 2HB LYS 31 1HB LYS 31 -15.430 -8.674 3.184 226 1HG LYS 31 2HG LYS 31 -17.527 -9.309 2.732 227 2HG LYS 31 1HG LYS 31 -18.233 -8.088 3.795 228 1HD LYS 31 2HD LYS 31 -17.173 -6.593 1.744 229 2HD LYS 31 1HD LYS 31 -17.778 -8.030 0.918 230 1HE LYS 31 2HE LYS 31 -19.589 -6.900 2.935 231 2HE LYS 31 1HE LYS 31 -19.283 -5.858 1.547 232 1HZ LYS 31 1HZ LYS 31 -21.161 -7.719 1.568 233 2HZ LYS 31 2HZ LYS 31 -19.882 -8.648 0.970 234 3HZ LYS 31 3HZ LYS 31 -20.361 -7.247 0.154 235 H TYR 32 H TYR 32 -14.044 -6.673 6.043 236 HA TYR 32 HA TYR 32 -12.691 -9.038 7.004 237 1HB TYR 32 2HB TYR 32 -10.921 -7.354 5.331 238 2HB TYR 32 1HB TYR 32 -10.900 -9.093 5.596 239 HD1 TYR 32 1HD TYR 32 -11.378 -10.420 3.778 240 HD2 TYR 32 2HD TYR 32 -13.098 -6.536 3.970 241 HE1 TYR 32 1HE TYR 32 -12.395 -10.767 1.566 242 HE2 TYR 32 2HE TYR 32 -14.120 -6.871 1.761 243 HH TYR 32 HH TYR 32 -14.824 -8.801 0.333 244 H ASN 33 H ASN 33 -10.552 -8.393 8.068 245 HA ASN 33 HA ASN 33 -10.625 -5.649 9.093 246 1HB ASN 33 2HB ASN 33 -11.630 -7.728 10.577 247 2HB ASN 33 1HB ASN 33 -9.964 -7.653 11.139 248 1HD2 ASN 33 1HD2 ASN 33 -9.288 -5.932 12.342 249 2HD2 ASN 33 2HD2 ASN 33 -10.358 -4.715 12.943 250 H ILE 34 H ILE 34 -8.906 -7.081 7.208 251 HA ILE 34 HA ILE 34 -6.353 -6.953 8.675 252 HB ILE 34 HB ILE 34 -6.498 -8.308 6.041 253 1HG1 ILE 34 2HG1 ILE 34 -8.447 -9.260 7.063 254 2HG1 ILE 34 1HG1 ILE 34 -7.149 -10.445 7.173 255 1HG2 ILE 34 1HG2 ILE 34 -4.856 -9.802 7.149 256 2HG2 ILE 34 2HG2 ILE 34 -5.007 -8.819 8.606 257 3HG2 ILE 34 3HG2 ILE 34 -4.363 -8.109 7.125 258 1HD1 ILE 34 1HD1 ILE 34 -8.642 -10.065 9.213 259 2HD1 ILE 34 2HD1 ILE 34 -7.722 -8.576 9.430 260 3HD1 ILE 34 3HD1 ILE 34 -6.897 -10.133 9.455 261 H GLU 35 H GLU 35 -5.474 -5.005 8.305 262 HA GLU 35 HA GLU 35 -5.903 -3.069 6.572 263 1HB GLU 35 2HB GLU 35 -3.121 -4.094 7.167 264 2HB GLU 35 1HB GLU 35 -3.513 -2.481 6.587 265 1HG GLU 35 2HG GLU 35 -3.137 -2.320 8.917 266 2HG GLU 35 1HG GLU 35 -4.873 -2.155 8.657 267 H LYS 36 H LYS 36 -3.268 -5.278 5.648 268 HA LYS 36 HA LYS 36 -3.063 -4.670 3.014 269 1HB LYS 36 2HB LYS 36 -3.003 -7.557 3.827 270 2HB LYS 36 1HB LYS 36 -1.966 -6.709 2.690 271 1HG LYS 36 2HG LYS 36 -1.614 -5.492 5.215 272 2HG LYS 36 1HG LYS 36 -1.535 -7.239 5.449 273 1HD LYS 36 2HD LYS 36 -0.085 -6.377 3.087 274 2HD LYS 36 1HD LYS 36 0.512 -5.602 4.555 275 1HE LYS 36 2HE LYS 36 1.241 -7.561 5.460 276 2HE LYS 36 1HE LYS 36 -0.009 -8.518 4.665 277 1HZ LYS 36 1HZ LYS 36 2.652 -8.112 3.867 278 2HZ LYS 36 2HZ LYS 36 1.637 -7.464 2.679 279 3HZ LYS 36 3HZ LYS 36 1.471 -9.083 3.142 280 H ASP 37 H ASP 37 -5.079 -7.373 4.199 281 HA ASP 37 HA ASP 37 -6.324 -8.104 1.892 282 1HB ASP 37 2HB ASP 37 -6.742 -8.549 4.630 283 2HB ASP 37 1HB ASP 37 -8.288 -7.971 4.016 284 H ILE 38 H ILE 38 -7.740 -5.781 4.190 285 HA ILE 38 HA ILE 38 -9.861 -4.873 2.744 286 HB ILE 38 HB ILE 38 -8.126 -2.905 4.207 287 1HG1 ILE 38 2HG1 ILE 38 -10.049 -4.689 5.665 288 2HG1 ILE 38 1HG1 ILE 38 -8.393 -5.220 5.384 289 1HG2 ILE 38 1HG2 ILE 38 -10.145 -2.050 3.186 290 2HG2 ILE 38 2HG2 ILE 38 -10.301 -2.028 4.943 291 3HG2 ILE 38 3HG2 ILE 38 -11.108 -3.282 4.003 292 1HD1 ILE 38 1HD1 ILE 38 -8.605 -4.222 7.570 293 2HD1 ILE 38 2HD1 ILE 38 -9.244 -2.740 6.859 294 3HD1 ILE 38 3HD1 ILE 38 -7.576 -3.221 6.545 295 H ALA 39 H ALA 39 -6.531 -3.636 2.575 296 HA ALA 39 HA ALA 39 -6.952 -1.633 0.680 297 1HB ALA 39 1HB ALA 39 -4.382 -2.971 0.392 298 2HB ALA 39 2HB ALA 39 -4.786 -2.601 2.068 299 3HB ALA 39 3HB ALA 39 -4.750 -1.313 0.863 300 H ALA 40 H ALA 40 -6.137 -5.055 0.240 301 HA ALA 40 HA ALA 40 -5.763 -5.067 -2.516 302 1HB ALA 40 1HB ALA 40 -7.125 -7.345 -1.130 303 2HB ALA 40 2HB ALA 40 -5.444 -6.950 -0.771 304 3HB ALA 40 3HB ALA 40 -5.918 -7.381 -2.415 305 H HIS 41 H HIS 41 -8.735 -6.118 -0.848 306 HA HIS 41 HA HIS 41 -10.392 -6.316 -3.025 307 1HB HIS 41 2HB HIS 41 -11.665 -5.125 -0.644 308 2HB HIS 41 1HB HIS 41 -12.061 -6.603 -1.514 309 HD1 HIS 41 1HD HIS 41 -11.542 -5.995 1.703 310 HD2 HIS 41 2HD HIS 41 -9.255 -8.230 -0.947 311 HE1 HIS 41 1HE HIS 41 -10.213 -7.580 3.133 312 HE2 HIS 41 2HE HIS 41 -8.855 -8.942 1.506 313 H ILE 42 H ILE 42 -10.097 -3.457 -0.918 314 HA ILE 42 HA ILE 42 -11.752 -1.695 -2.136 315 HB ILE 42 HB ILE 42 -8.985 -1.115 -1.078 316 1HG1 ILE 42 2HG1 ILE 42 -11.581 -0.505 0.302 317 2HG1 ILE 42 1HG1 ILE 42 -10.895 -2.124 0.391 318 1HG2 ILE 42 1HG2 ILE 42 -9.727 1.213 -0.873 319 2HG2 ILE 42 2HG2 ILE 42 -11.233 0.799 -1.691 320 3HG2 ILE 42 3HG2 ILE 42 -9.700 0.679 -2.553 321 1HD1 ILE 42 1HD1 ILE 42 -9.218 -1.482 1.759 322 2HD1 ILE 42 2HD1 ILE 42 -10.379 -0.223 2.181 323 3HD1 ILE 42 3HD1 ILE 42 -9.086 0.119 1.032 324 H LYS 43 H LYS 43 -8.289 -1.906 -2.976 325 HA LYS 43 HA LYS 43 -8.322 -0.274 -5.198 326 1HB LYS 43 2HB LYS 43 -6.211 -0.939 -4.408 327 2HB LYS 43 1HB LYS 43 -6.628 -2.646 -4.465 328 1HG LYS 43 2HG LYS 43 -5.038 -1.984 -6.219 329 2HG LYS 43 1HG LYS 43 -6.544 -2.639 -6.869 330 1HD LYS 43 2HD LYS 43 -7.329 -0.234 -7.076 331 2HD LYS 43 1HD LYS 43 -5.658 0.234 -6.756 332 1HE LYS 43 2HE LYS 43 -6.338 0.072 -9.191 333 2HE LYS 43 1HE LYS 43 -4.883 -0.806 -8.722 334 1HZ LYS 43 1HZ LYS 43 -6.018 -2.842 -8.783 335 2HZ LYS 43 2HZ LYS 43 -6.513 -2.029 -10.182 336 3HZ LYS 43 3HZ LYS 43 -7.541 -2.105 -8.840 337 H LYS 44 H LYS 44 -8.461 -3.843 -5.277 338 HA LYS 44 HA LYS 44 -8.830 -4.369 -7.874 339 1HB LYS 44 2HB LYS 44 -9.118 -5.859 -5.688 340 2HB LYS 44 1HB LYS 44 -10.821 -5.658 -6.076 341 1HG LYS 44 2HG LYS 44 -10.377 -6.555 -8.333 342 2HG LYS 44 1HG LYS 44 -8.700 -6.836 -7.861 343 1HD LYS 44 2HD LYS 44 -10.021 -8.062 -5.834 344 2HD LYS 44 1HD LYS 44 -11.140 -8.329 -7.171 345 1HE LYS 44 2HE LYS 44 -9.419 -10.129 -6.836 346 2HE LYS 44 1HE LYS 44 -9.478 -9.436 -8.455 347 1HZ LYS 44 1HZ LYS 44 -7.375 -8.800 -8.280 348 2HZ LYS 44 2HZ LYS 44 -7.270 -9.652 -6.822 349 3HZ LYS 44 3HZ LYS 44 -7.659 -8.006 -6.812 350 H GLU 45 H GLU 45 -11.544 -3.531 -5.731 351 HA GLU 45 HA GLU 45 -13.492 -3.387 -7.745 352 1HB GLU 45 2HB GLU 45 -13.723 -3.397 -5.146 353 2HB GLU 45 1HB GLU 45 -13.618 -1.648 -5.304 354 1HG GLU 45 2HG GLU 45 -15.624 -1.495 -6.435 355 2HG GLU 45 1HG GLU 45 -15.578 -3.179 -6.953 356 H PHE 46 H PHE 46 -12.159 -0.590 -5.985 357 HA PHE 46 HA PHE 46 -13.020 1.473 -7.458 358 1HB PHE 46 2HB PHE 46 -10.733 0.996 -5.776 359 2HB PHE 46 1HB PHE 46 -10.282 2.059 -7.104 360 HD1 PHE 46 1HD PHE 46 -12.730 1.632 -4.354 361 HD2 PHE 46 2HD PHE 46 -10.856 4.319 -7.071 362 HE1 PHE 46 1HE PHE 46 -13.735 3.534 -3.159 363 HE2 PHE 46 2HE PHE 46 -11.858 6.224 -5.882 364 HZ PHE 46 HZ PHE 46 -13.298 5.834 -3.922 365 H ASP 47 H ASP 47 -10.413 -0.702 -8.400 366 HA ASP 47 HA ASP 47 -9.655 0.760 -10.720 367 1HB ASP 47 2HB ASP 47 -7.972 -0.648 -9.956 368 2HB ASP 47 1HB ASP 47 -9.081 -1.986 -9.669 369 H LYS 48 H LYS 48 -11.867 -1.930 -10.140 370 HA LYS 48 HA LYS 48 -12.566 -1.949 -12.985 371 1HB LYS 48 2HB LYS 48 -12.731 -3.931 -10.789 372 2HB LYS 48 1HB LYS 48 -14.007 -3.984 -11.997 373 1HG LYS 48 2HG LYS 48 -11.580 -3.769 -13.403 374 2HG LYS 48 1HG LYS 48 -11.339 -4.984 -12.145 375 1HD LYS 48 2HD LYS 48 -12.176 -5.958 -14.250 376 2HD LYS 48 1HD LYS 48 -13.289 -6.204 -12.904 377 1HE LYS 48 2HE LYS 48 -14.642 -5.563 -14.716 378 2HE LYS 48 1HE LYS 48 -14.493 -4.121 -13.713 379 1HZ LYS 48 1HZ LYS 48 -12.428 -4.278 -15.678 380 2HZ LYS 48 2HZ LYS 48 -13.519 -3.024 -15.365 381 3HZ LYS 48 3HZ LYS 48 -13.963 -4.294 -16.389 382 H LYS 49 H LYS 49 -13.467 -0.144 -10.546 383 HA LYS 49 HA LYS 49 -16.310 -0.210 -11.293 384 1HB LYS 49 2HB LYS 49 -15.325 -0.756 -8.779 385 2HB LYS 49 1HB LYS 49 -15.754 0.945 -8.665 386 1HG LYS 49 2HG LYS 49 -18.002 0.212 -9.697 387 2HG LYS 49 1HG LYS 49 -17.513 -1.411 -9.208 388 1HD LYS 49 2HD LYS 49 -18.590 -0.814 -7.301 389 2HD LYS 49 1HD LYS 49 -17.015 -0.113 -6.924 390 1HE LYS 49 2HE LYS 49 -19.539 1.235 -7.784 391 2HE LYS 49 1HE LYS 49 -18.455 1.633 -6.452 392 1HZ LYS 49 1HZ LYS 49 -18.069 2.158 -9.339 393 2HZ LYS 49 2HZ LYS 49 -16.788 2.227 -8.238 394 3HZ LYS 49 3HZ LYS 49 -18.106 3.273 -8.067 395 H TYR 50 H TYR 50 -13.481 1.548 -11.325 396 HA TYR 50 HA TYR 50 -14.982 4.033 -11.785 397 1HB TYR 50 2HB TYR 50 -12.523 3.658 -10.090 398 2HB TYR 50 1HB TYR 50 -12.912 5.218 -10.806 399 HD1 TYR 50 1HD TYR 50 -15.517 5.881 -10.413 400 HD2 TYR 50 2HD TYR 50 -13.182 3.355 -7.909 401 HE1 TYR 50 1HE TYR 50 -17.015 6.374 -8.526 402 HE2 TYR 50 2HE TYR 50 -14.674 3.841 -6.015 403 HH TYR 50 HH TYR 50 -17.662 5.114 -6.311 404 H ASN 51 H ASN 51 -11.630 2.818 -12.014 405 HA ASN 51 HA ASN 51 -11.307 2.521 -14.669 406 1HB ASN 51 2HB ASN 51 -11.866 5.283 -14.141 407 2HB ASN 51 1HB ASN 51 -10.215 5.139 -14.737 408 1HD2 ASN 51 1HD2 ASN 51 -10.550 2.917 -16.398 409 2HD2 ASN 51 2HD2 ASN 51 -11.537 3.380 -17.737 410 HA PRO 52 HA PRO 52 -7.550 1.411 -12.427 411 1HB PRO 52 2HB PRO 52 -6.835 0.695 -15.235 412 2HB PRO 52 1HB PRO 52 -6.627 -0.237 -13.749 413 1HG PRO 52 2HG PRO 52 -8.584 -0.828 -15.444 414 2HG PRO 52 1HG PRO 52 -8.851 -0.893 -13.692 415 1HD PRO 52 2HD PRO 52 -9.748 1.145 -15.675 416 2HD PRO 52 1HD PRO 52 -10.558 0.562 -14.206 417 H THR 53 H THR 53 -4.905 3.609 -13.267 418 HA THR 53 HA THR 53 -6.001 1.230 -11.928 419 HB THR 53 HB THR 53 -3.094 2.005 -12.237 420 HG1 THR 53 1HG THR 53 -3.394 -0.194 -13.447 421 1HG2 THR 53 1HG2 THR 53 -4.215 -0.615 -11.292 422 2HG2 THR 53 2HG2 THR 53 -3.646 0.654 -10.210 423 3HG2 THR 53 3HG2 THR 53 -2.527 -0.108 -11.337 424 H TRP 54 H TRP 54 -6.170 1.236 -9.750 425 HA TRP 54 HA TRP 54 -5.607 3.778 -8.417 426 1HB TRP 54 2HB TRP 54 -7.319 1.441 -7.551 427 2HB TRP 54 1HB TRP 54 -7.125 2.943 -6.653 428 HD1 TRP 54 HD TRP 54 -8.547 1.691 -10.024 429 HE1 TRP 54 1HE TRP 54 -10.423 3.298 -10.741 430 HE3 TRP 54 3HE TRP 54 -8.088 5.178 -6.316 431 HZ2 TRP 54 2HZ TRP 54 -11.561 5.726 -9.851 432 HZ3 TRP 54 3HZ TRP 54 -9.608 7.114 -6.320 433 HH2 TRP 54 HH TRP 54 -11.307 7.381 -8.053 434 H HIS 55 H HIS 55 -4.850 3.756 -6.212 435 HA HIS 55 HA HIS 55 -3.245 1.451 -5.407 436 1HB HIS 55 2HB HIS 55 -2.063 4.224 -5.346 437 2HB HIS 55 1HB HIS 55 -1.238 2.681 -5.154 438 HD1 HIS 55 1HD HIS 55 0.070 2.040 -7.139 439 HD2 HIS 55 2HD HIS 55 -3.229 4.355 -8.155 440 HE1 HIS 55 1HE HIS 55 0.186 2.317 -9.635 441 HE2 HIS 55 2HE HIS 55 -1.862 3.656 -10.236 442 H CYS 56 H CYS 56 -4.417 1.038 -3.591 443 HA CYS 56 HA CYS 56 -4.862 3.298 -1.755 444 1HB CYS 56 2HB CYS 56 -6.987 2.531 -2.217 445 2HB CYS 56 1HB CYS 56 -6.464 0.858 -2.377 446 HG CYS 56 HG CYS 56 -7.769 1.836 -0.006 447 H ILE 57 H ILE 57 -4.404 3.153 0.376 448 HA ILE 57 HA ILE 57 -3.043 0.733 1.348 449 HB ILE 57 HB ILE 57 -2.091 3.539 1.925 450 1HG1 ILE 57 2HG1 ILE 57 -1.531 3.172 -0.348 451 2HG1 ILE 57 1HG1 ILE 57 -0.070 2.802 0.559 452 1HG2 ILE 57 1HG2 ILE 57 -1.748 1.275 3.401 453 2HG2 ILE 57 2HG2 ILE 57 -0.664 2.666 3.411 454 3HG2 ILE 57 3HG2 ILE 57 -0.301 1.273 2.392 455 1HD1 ILE 57 1HD1 ILE 57 0.011 0.822 -0.410 456 2HD1 ILE 57 2HD1 ILE 57 -1.476 1.180 -1.286 457 3HD1 ILE 57 3HD1 ILE 57 -1.550 0.405 0.296 458 H VAL 58 H VAL 58 -4.290 0.002 2.958 459 HA VAL 58 HA VAL 58 -5.570 1.975 4.728 460 HB VAL 58 HB VAL 58 -7.243 0.658 3.671 461 1HG1 VAL 58 1HG1 VAL 58 -7.260 -1.806 3.820 462 2HG1 VAL 58 2HG1 VAL 58 -5.658 -1.748 4.555 463 3HG1 VAL 58 3HG1 VAL 58 -5.889 -1.185 2.900 464 1HG2 VAL 58 1HG2 VAL 58 -6.771 -0.392 6.461 465 2HG2 VAL 58 2HG2 VAL 58 -8.301 -0.446 5.586 466 3HG2 VAL 58 3HG2 VAL 58 -7.602 1.107 6.041 467 H GLY 59 H GLY 59 -4.945 2.099 6.774 468 1HA GLY 59 2HA GLY 59 -3.832 -0.248 8.109 469 2HA GLY 59 1HA GLY 59 -2.800 1.172 7.988 470 H ARG 60 H ARG 60 -2.748 1.421 10.260 471 HA ARG 60 HA ARG 60 -4.998 2.905 11.284 472 1HB ARG 60 2HB ARG 60 -4.855 1.387 13.413 473 2HB ARG 60 1HB ARG 60 -5.869 0.934 12.050 474 1HG ARG 60 2HG ARG 60 -3.799 -0.388 11.252 475 2HG ARG 60 1HG ARG 60 -3.258 -0.223 12.924 476 1HD ARG 60 2HD ARG 60 -5.982 -1.016 12.958 477 2HD ARG 60 1HD ARG 60 -5.126 -2.068 11.832 478 HE ARG 60 HE ARG 60 -3.595 -2.592 13.674 479 1HH1 ARG 60 1HH1 ARG 60 -6.680 -1.172 14.444 480 2HH1 ARG 60 2HH1 ARG 60 -6.712 -1.798 16.059 481 1HH2 ARG 60 1HH2 ARG 60 -3.628 -3.422 15.800 482 2HH2 ARG 60 2HH2 ARG 60 -4.978 -3.076 16.828 483 H ASN 61 H ASN 61 -2.093 3.271 10.696 484 HA ASN 61 HA ASN 61 -1.383 5.090 12.566 485 1HB ASN 61 2HB ASN 61 -1.449 2.726 13.923 486 2HB ASN 61 1HB ASN 61 0.250 2.811 13.466 487 1HD2 ASN 61 1HD2 ASN 61 0.740 5.485 13.578 488 2HD2 ASN 61 2HD2 ASN 61 0.564 6.049 15.201 489 H PHE 62 H PHE 62 -0.986 4.126 9.806 490 HA PHE 62 HA PHE 62 1.945 4.104 9.651 491 1HB PHE 62 2HB PHE 62 1.754 3.135 7.519 492 2HB PHE 62 1HB PHE 62 0.477 2.361 8.453 493 HD1 PHE 62 1HD PHE 62 1.236 4.726 5.777 494 HD2 PHE 62 2HD PHE 62 -1.844 2.819 8.003 495 HE1 PHE 62 1HE PHE 62 -0.415 5.444 4.101 496 HE2 PHE 62 2HE PHE 62 -3.501 3.532 6.333 497 HZ PHE 62 HZ PHE 62 -2.791 4.848 4.378 498 H GLY 63 H GLY 63 2.613 5.201 7.399 499 1HA GLY 63 2HA GLY 63 1.307 7.841 7.260 500 2HA GLY 63 1HA GLY 63 3.055 7.713 7.417 501 H SER 64 H SER 64 0.470 7.887 5.266 502 HA SER 64 HA SER 64 1.955 6.673 3.072 503 1HB SER 64 2HB SER 64 -0.168 7.301 1.766 504 2HB SER 64 1HB SER 64 -0.310 6.046 2.997 505 HG SER 64 HG SER 64 -1.908 7.904 2.920 506 H TYR 65 H TYR 65 3.160 7.781 1.721 507 HA TYR 65 HA TYR 65 2.598 10.625 1.273 508 1HB TYR 65 2HB TYR 65 4.478 10.268 2.959 509 2HB TYR 65 1HB TYR 65 5.408 9.582 1.631 510 HD1 TYR 65 1HD TYR 65 6.236 10.993 -0.169 511 HD2 TYR 65 2HD TYR 65 3.997 12.646 3.049 512 HE1 TYR 65 1HE TYR 65 6.971 13.246 -0.822 513 HE2 TYR 65 2HE TYR 65 4.725 14.903 2.405 514 HH TYR 65 HH TYR 65 6.577 15.468 -0.532 515 H VAL 66 H VAL 66 1.666 9.859 -0.700 516 HA VAL 66 HA VAL 66 3.690 9.153 -2.723 517 HB VAL 66 HB VAL 66 2.087 7.800 -3.899 518 1HG1 VAL 66 1HG1 VAL 66 2.141 7.123 -0.961 519 2HG1 VAL 66 2HG1 VAL 66 3.338 6.662 -2.171 520 3HG1 VAL 66 3HG1 VAL 66 1.703 6.005 -2.252 521 1HG2 VAL 66 1HG2 VAL 66 -0.092 7.448 -2.248 522 2HG2 VAL 66 2HG2 VAL 66 -0.060 8.395 -3.735 523 3HG2 VAL 66 3HG2 VAL 66 0.193 9.187 -2.180 524 H THR 67 H THR 67 3.353 9.972 -4.834 525 HA THR 67 HA THR 67 2.096 12.564 -4.856 526 HB THR 67 HB THR 67 4.306 11.691 -6.058 527 HG1 THR 67 1HG THR 67 3.249 13.858 -6.016 528 1HG2 THR 67 1HG2 THR 67 2.150 11.207 -8.079 529 2HG2 THR 67 2HG2 THR 67 3.502 10.167 -7.631 530 3HG2 THR 67 3HG2 THR 67 3.794 11.647 -8.546 531 H HIS 68 H HIS 68 0.010 12.842 -5.235 532 HA HIS 68 HA HIS 68 -1.610 10.784 -6.386 533 1HB HIS 68 2HB HIS 68 -3.404 12.600 -6.231 534 2HB HIS 68 1HB HIS 68 -2.674 12.063 -4.723 535 HD1 HIS 68 1HD HIS 68 -1.322 14.646 -7.157 536 HD2 HIS 68 2HD HIS 68 -2.707 14.346 -3.251 537 HE1 HIS 68 1HE HIS 68 -0.926 16.906 -6.127 538 HE2 HIS 68 2HE HIS 68 -1.712 16.682 -3.744 539 H GLU 69 H GLU 69 -2.771 10.834 -8.334 540 HA GLU 69 HA GLU 69 -1.644 12.655 -10.358 541 1HB GLU 69 2HB GLU 69 -2.803 9.902 -10.811 542 2HB GLU 69 1HB GLU 69 -2.001 10.915 -12.005 543 1HG GLU 69 2HG GLU 69 -0.375 10.395 -9.643 544 2HG GLU 69 1HG GLU 69 -0.823 8.938 -10.531 545 H THR 70 H THR 70 -3.858 11.118 -12.022 546 HA THR 70 HA THR 70 -5.545 12.987 -12.741 547 HB THR 70 HB THR 70 -6.140 11.011 -13.709 548 HG1 THR 70 1HG THR 70 -8.072 11.977 -12.843 549 1HG2 THR 70 1HG2 THR 70 -6.655 9.389 -11.308 550 2HG2 THR 70 2HG2 THR 70 -4.967 9.770 -11.651 551 3HG2 THR 70 3HG2 THR 70 -5.948 8.940 -12.860 552 H LYS 71 H LYS 71 -7.455 10.997 -10.664 553 HA LYS 71 HA LYS 71 -8.741 13.257 -9.510 554 1HB LYS 71 2HB LYS 71 -9.121 10.383 -9.565 555 2HB LYS 71 1HB LYS 71 -9.418 11.033 -7.958 556 1HG LYS 71 2HG LYS 71 -11.496 11.303 -8.794 557 2HG LYS 71 1HG LYS 71 -10.801 12.812 -9.391 558 1HD LYS 71 2HD LYS 71 -10.521 10.394 -11.091 559 2HD LYS 71 1HD LYS 71 -12.119 11.134 -10.977 560 1HE LYS 71 2HE LYS 71 -9.565 12.304 -12.023 561 2HE LYS 71 1HE LYS 71 -11.135 12.185 -12.817 562 1HZ LYS 71 1HZ LYS 71 -11.130 13.737 -10.379 563 2HZ LYS 71 2HZ LYS 71 -11.840 14.075 -11.877 564 3HZ LYS 71 3HZ LYS 71 -10.199 14.399 -11.630 565 H HIS 72 H HIS 72 -5.813 12.809 -8.997 566 HA HIS 72 HA HIS 72 -4.312 13.090 -7.317 567 1HB HIS 72 2HB HIS 72 -6.791 14.339 -6.178 568 2HB HIS 72 1HB HIS 72 -5.330 14.225 -5.203 569 HD1 HIS 72 1HD HIS 72 -3.643 16.031 -5.522 570 HD2 HIS 72 2HD HIS 72 -6.368 15.855 -8.656 571 HE1 HIS 72 1HE HIS 72 -3.130 18.021 -6.971 572 HE2 HIS 72 2HE HIS 72 -4.820 17.920 -8.838 573 H PHE 73 H PHE 73 -6.979 12.554 -5.085 574 HA PHE 73 HA PHE 73 -6.939 9.879 -4.647 575 1HB PHE 73 2HB PHE 73 -5.229 9.341 -3.112 576 2HB PHE 73 1HB PHE 73 -4.427 10.274 -4.371 577 HD1 PHE 73 1HD PHE 73 -5.130 13.022 -3.630 578 HD2 PHE 73 2HD PHE 73 -3.997 9.722 -1.194 579 HE1 PHE 73 1HE PHE 73 -4.273 14.577 -1.926 580 HE2 PHE 73 2HE PHE 73 -3.140 11.270 0.514 581 HZ PHE 73 HZ PHE 73 -3.276 13.701 0.150 582 H ILE 74 H ILE 74 -6.956 9.493 -1.965 583 HA ILE 74 HA ILE 74 -8.259 11.652 -0.596 584 HB ILE 74 HB ILE 74 -10.082 10.764 -2.037 585 1HG1 ILE 74 2HG1 ILE 74 -10.060 11.183 0.836 586 2HG1 ILE 74 1HG1 ILE 74 -11.212 11.748 -0.360 587 1HG2 ILE 74 1HG2 ILE 74 -9.053 8.317 -1.479 588 2HG2 ILE 74 2HG2 ILE 74 -10.674 8.597 -2.116 589 3HG2 ILE 74 3HG2 ILE 74 -10.437 8.360 -0.386 590 1HD1 ILE 74 1HD1 ILE 74 -12.735 10.299 0.336 591 2HD1 ILE 74 2HD1 ILE 74 -11.657 9.922 1.679 592 3HD1 ILE 74 3HD1 ILE 74 -11.606 8.949 0.210 593 H TYR 75 H TYR 75 -7.274 11.490 1.291 594 HA TYR 75 HA TYR 75 -6.853 8.833 2.462 595 1HB TYR 75 2HB TYR 75 -4.906 10.451 2.146 596 2HB TYR 75 1HB TYR 75 -5.633 11.418 3.425 597 HD1 TYR 75 1HD TYR 75 -5.333 10.847 5.695 598 HD2 TYR 75 2HD TYR 75 -4.185 8.093 2.664 599 HE1 TYR 75 1HE TYR 75 -4.210 9.463 7.388 600 HE2 TYR 75 2HE TYR 75 -3.058 6.699 4.348 601 HH TYR 75 HH TYR 75 -2.470 7.787 7.535 602 H PHE 76 H PHE 76 -7.750 8.266 4.372 603 HA PHE 76 HA PHE 76 -9.048 10.239 6.051 604 1HB PHE 76 2HB PHE 76 -11.143 8.647 6.025 605 2HB PHE 76 1HB PHE 76 -10.962 9.905 4.808 606 HD1 PHE 76 1HD PHE 76 -11.598 6.496 5.352 607 HD2 PHE 76 2HD PHE 76 -9.728 9.170 2.619 608 HE1 PHE 76 1HE PHE 76 -11.768 4.798 3.580 609 HE2 PHE 76 2HE PHE 76 -9.895 7.475 0.843 610 HZ PHE 76 HZ PHE 76 -10.916 5.287 1.322 611 H TYR 77 H TYR 77 -10.063 9.121 8.006 612 HA TYR 77 HA TYR 77 -8.495 6.735 8.725 613 1HB TYR 77 2HB TYR 77 -7.422 8.501 9.876 614 2HB TYR 77 1HB TYR 77 -8.951 9.254 10.313 615 HD1 TYR 77 1HD TYR 77 -10.396 8.157 12.053 616 HD2 TYR 77 2HD TYR 77 -6.418 6.871 11.260 617 HE1 TYR 77 1HE TYR 77 -10.340 7.005 14.226 618 HE2 TYR 77 2HE TYR 77 -6.353 5.716 13.429 619 HH TYR 77 HH TYR 77 -8.950 6.045 15.767 620 H LEU 78 H LEU 78 -10.079 5.238 8.556 621 HA LEU 78 HA LEU 78 -12.771 5.546 9.251 622 1HB LEU 78 2HB LEU 78 -10.971 3.151 8.994 623 2HB LEU 78 1HB LEU 78 -12.642 2.973 9.483 624 HG LEU 78 HG LEU 78 -11.894 2.701 6.966 625 1HD1 LEU 78 1HD1 LEU 78 -14.241 3.751 6.406 626 2HD1 LEU 78 2HD1 LEU 78 -14.380 3.790 8.163 627 3HD1 LEU 78 3HD1 LEU 78 -14.092 2.260 7.334 628 1HD2 LEU 78 1HD2 LEU 78 -10.944 4.717 6.375 629 2HD2 LEU 78 2HD2 LEU 78 -12.075 5.658 7.348 630 3HD2 LEU 78 3HD2 LEU 78 -12.608 4.936 5.831 631 H GLY 79 H GLY 79 -13.743 3.923 10.995 632 1HA GLY 79 2HA GLY 79 -13.202 4.997 13.517 633 2HA GLY 79 1HA GLY 79 -14.073 3.495 13.231 634 H GLN 80 H GLN 80 -10.873 4.902 13.639 635 HA GLN 80 HA GLN 80 -9.078 4.072 14.817 636 1HB GLN 80 2HB GLN 80 -11.079 2.222 15.525 637 2HB GLN 80 1HB GLN 80 -9.715 1.264 14.964 638 1HG GLN 80 2HG GLN 80 -8.478 1.751 16.760 639 2HG GLN 80 1HG GLN 80 -8.977 3.442 16.767 640 1HE2 GLN 80 1HE2 GLN 80 -11.713 1.638 16.642 641 2HE2 GLN 80 2HE2 GLN 80 -12.082 1.548 18.326 642 H VAL 81 H VAL 81 -9.753 3.970 11.913 643 HA VAL 81 HA VAL 81 -7.482 2.318 11.093 644 HB VAL 81 HB VAL 81 -10.178 2.221 9.727 645 1HG1 VAL 81 1HG1 VAL 81 -7.700 0.657 9.041 646 2HG1 VAL 81 2HG1 VAL 81 -8.163 2.151 8.228 647 3HG1 VAL 81 3HG1 VAL 81 -9.214 0.738 8.141 648 1HG2 VAL 81 1HG2 VAL 81 -10.050 0.920 11.826 649 2HG2 VAL 81 2HG2 VAL 81 -8.679 0.032 11.162 650 3HG2 VAL 81 3HG2 VAL 81 -10.265 -0.095 10.401 651 H ALA 82 H ALA 82 -7.026 2.770 8.665 652 HA ALA 82 HA ALA 82 -7.749 5.474 7.857 653 1HB ALA 82 1HB ALA 82 -4.944 5.252 7.443 654 2HB ALA 82 2HB ALA 82 -5.286 4.908 9.139 655 3HB ALA 82 3HB ALA 82 -5.826 6.426 8.422 656 H ILE 83 H ILE 83 -7.549 5.843 5.640 657 HA ILE 83 HA ILE 83 -6.603 3.589 4.014 658 HB ILE 83 HB ILE 83 -9.022 4.986 3.032 659 1HG1 ILE 83 2HG1 ILE 83 -9.478 4.538 5.466 660 2HG1 ILE 83 1HG1 ILE 83 -10.558 3.699 4.358 661 1HG2 ILE 83 1HG2 ILE 83 -7.992 3.290 1.680 662 2HG2 ILE 83 2HG2 ILE 83 -9.544 2.686 2.259 663 3HG2 ILE 83 3HG2 ILE 83 -8.047 2.135 3.011 664 1HD1 ILE 83 1HD1 ILE 83 -8.619 1.842 4.695 665 2HD1 ILE 83 2HD1 ILE 83 -10.104 1.928 5.642 666 3HD1 ILE 83 3HD1 ILE 83 -8.616 2.634 6.270 667 H LEU 84 H LEU 84 -5.452 4.151 2.279 668 HA LEU 84 HA LEU 84 -5.419 6.993 1.493 669 1HB LEU 84 2HB LEU 84 -3.302 6.742 2.342 670 2HB LEU 84 1HB LEU 84 -3.234 5.031 1.966 671 HG LEU 84 HG LEU 84 -3.219 6.110 -0.534 672 1HD1 LEU 84 1HD1 LEU 84 -2.819 8.299 -0.382 673 2HD1 LEU 84 2HD1 LEU 84 -1.187 7.840 0.103 674 3HD1 LEU 84 3HD1 LEU 84 -2.405 8.192 1.329 675 1HD2 LEU 84 1HD2 LEU 84 -0.582 5.943 -0.059 676 2HD2 LEU 84 2HD2 LEU 84 -1.621 4.534 -0.263 677 3HD2 LEU 84 3HD2 LEU 84 -1.196 5.087 1.356 678 H LEU 85 H LEU 85 -6.880 6.837 -0.188 679 HA LEU 85 HA LEU 85 -6.369 4.843 -2.271 680 1HB LEU 85 2HB LEU 85 -8.711 6.055 -1.190 681 2HB LEU 85 1HB LEU 85 -8.618 6.460 -2.894 682 HG LEU 85 HG LEU 85 -8.300 3.966 -3.323 683 1HD1 LEU 85 1HD1 LEU 85 -8.955 2.422 -1.650 684 2HD1 LEU 85 2HD1 LEU 85 -9.455 3.714 -0.559 685 3HD1 LEU 85 3HD1 LEU 85 -7.746 3.479 -0.922 686 1HD2 LEU 85 1HD2 LEU 85 -10.353 4.813 -3.979 687 2HD2 LEU 85 2HD2 LEU 85 -10.819 5.240 -2.333 688 3HD2 LEU 85 3HD2 LEU 85 -10.810 3.550 -2.837 689 H PHE 86 H PHE 86 -5.360 5.340 -4.086 690 HA PHE 86 HA PHE 86 -5.702 7.859 -5.404 691 1HB PHE 86 2HB PHE 86 -3.530 8.758 -5.229 692 2HB PHE 86 1HB PHE 86 -3.965 8.305 -3.585 693 HD1 PHE 86 1HD PHE 86 -3.037 6.190 -2.622 694 HD2 PHE 86 2HD PHE 86 -1.658 7.836 -6.296 695 HE1 PHE 86 1HE PHE 86 -0.985 4.845 -2.449 696 HE2 PHE 86 2HE PHE 86 0.397 6.493 -6.130 697 HZ PHE 86 HZ PHE 86 0.735 4.996 -4.203 698 H LYS 87 H LYS 87 -5.524 7.563 -7.542 699 HA LYS 87 HA LYS 87 -4.283 5.065 -8.475 700 1HB LYS 87 2HB LYS 87 -5.632 5.611 -10.593 701 2HB LYS 87 1HB LYS 87 -6.512 5.067 -9.172 702 1HG LYS 87 2HG LYS 87 -6.872 7.535 -8.655 703 2HG LYS 87 1HG LYS 87 -6.327 7.834 -10.307 704 1HD LYS 87 2HD LYS 87 -8.476 5.826 -9.791 705 2HD LYS 87 1HD LYS 87 -8.871 7.544 -9.805 706 1HE LYS 87 2HE LYS 87 -7.317 7.213 -12.063 707 2HE LYS 87 1HE LYS 87 -8.285 5.740 -12.011 708 1HZ LYS 87 1HZ LYS 87 -10.027 6.872 -12.733 709 2HZ LYS 87 2HZ LYS 87 -9.072 8.262 -12.870 710 3HZ LYS 87 3HZ LYS 87 -9.922 7.959 -11.440 711 H SER 88 H SER 88 -2.958 5.054 -10.327 712 HA SER 88 HA SER 88 -1.656 7.637 -10.860 713 1HB SER 88 2HB SER 88 -0.641 4.876 -10.535 714 2HB SER 88 1HB SER 88 0.129 5.839 -11.796 715 HG SER 88 HG SER 88 -0.250 7.034 -9.305 716 H GLY 89 H GLY 89 -4.021 6.263 -12.120 717 1HA GLY 89 2HA GLY 89 -4.927 5.975 -14.215 718 2HA GLY 89 1HA GLY 89 -3.758 7.187 -14.717 719 1H MET 1 1HT MET 1 29.160 -5.504 12.056 720 2H MET 1 2HT MET 1 29.068 -5.716 10.354 721 3H MET 1 3HT MET 1 27.693 -6.024 11.334 722 HA MET 1 HA MET 1 28.353 -3.501 11.974 723 1HB MET 1 2HB MET 1 29.964 -3.457 10.136 724 2HB MET 1 1HB MET 1 28.720 -3.978 9.008 725 1HG MET 1 2HG MET 1 28.206 -1.870 8.614 726 2HG MET 1 1HG MET 1 27.753 -1.668 10.306 727 1HE MET 1 1HE MET 1 29.960 1.358 8.957 728 2HE MET 1 2HE MET 1 28.797 1.208 10.275 729 3HE MET 1 3HE MET 1 28.417 0.548 8.684 730 H CYS 2 H CYS 2 26.641 -5.720 9.894 731 HA CYS 2 HA CYS 2 24.532 -5.586 8.938 732 1HB CYS 2 2HB CYS 2 23.959 -5.019 11.854 733 2HB CYS 2 1HB CYS 2 22.819 -5.682 10.688 734 HG CYS 2 HG CYS 2 24.487 -7.351 12.352 735 H ASP 3 H ASP 3 24.529 -3.783 7.608 736 HA ASP 3 HA ASP 3 23.368 -1.343 8.785 737 1HB ASP 3 2HB ASP 3 25.451 -1.716 6.661 738 2HB ASP 3 1HB ASP 3 24.435 -0.278 6.642 739 H ARG 4 H ARG 4 21.429 -2.901 8.278 740 HA ARG 4 HA ARG 4 20.417 -2.127 5.626 741 1HB ARG 4 2HB ARG 4 19.651 -4.724 6.935 742 2HB ARG 4 1HB ARG 4 19.451 -4.243 5.255 743 1HG ARG 4 2HG ARG 4 22.067 -4.843 6.622 744 2HG ARG 4 1HG ARG 4 21.212 -5.901 5.497 745 1HD ARG 4 2HD ARG 4 21.358 -3.855 3.892 746 2HD ARG 4 1HD ARG 4 22.654 -3.335 4.968 747 HE ARG 4 HE ARG 4 22.738 -5.487 3.065 748 1HH1 ARG 4 1HH1 ARG 4 24.091 -4.227 6.016 749 2HH1 ARG 4 2HH1 ARG 4 25.602 -5.051 5.827 750 1HH2 ARG 4 1HH2 ARG 4 24.723 -6.580 2.809 751 2HH2 ARG 4 2HH2 ARG 4 25.961 -6.389 4.004 752 H LYS 5 H LYS 5 19.170 -3.695 8.584 753 HA LYS 5 HA LYS 5 17.467 -3.112 9.995 754 1HB LYS 5 2HB LYS 5 18.381 -0.626 8.990 755 2HB LYS 5 1HB LYS 5 16.625 -0.585 8.934 756 1HG LYS 5 2HG LYS 5 16.507 -0.262 11.120 757 2HG LYS 5 1HG LYS 5 17.499 -1.688 11.433 758 1HD LYS 5 2HD LYS 5 19.251 -0.417 11.958 759 2HD LYS 5 1HD LYS 5 19.132 0.453 10.426 760 1HE LYS 5 2HE LYS 5 17.374 1.883 11.430 761 2HE LYS 5 1HE LYS 5 17.626 1.059 12.968 762 1HZ LYS 5 1HZ LYS 5 18.826 3.202 12.747 763 2HZ LYS 5 2HZ LYS 5 19.757 2.520 11.511 764 3HZ LYS 5 3HZ LYS 5 19.840 1.888 13.077 765 H ALA 6 H ALA 6 15.064 -2.369 9.874 766 HA ALA 6 HA ALA 6 12.977 -2.676 9.025 767 1HB ALA 6 1HB ALA 6 12.647 -2.445 6.593 768 2HB ALA 6 2HB ALA 6 14.397 -2.454 6.376 769 3HB ALA 6 3HB ALA 6 13.626 -1.146 7.274 770 H VAL 7 H VAL 7 11.616 -4.229 7.805 771 HA VAL 7 HA VAL 7 12.963 -6.810 7.376 772 HB VAL 7 HB VAL 7 10.297 -6.501 8.762 773 1HG1 VAL 7 1HG1 VAL 7 11.536 -8.696 7.499 774 2HG1 VAL 7 2HG1 VAL 7 10.067 -8.690 8.477 775 3HG1 VAL 7 3HG1 VAL 7 11.632 -8.982 9.236 776 1HG2 VAL 7 1HG2 VAL 7 12.399 -5.672 10.006 777 2HG2 VAL 7 2HG2 VAL 7 12.820 -7.381 10.116 778 3HG2 VAL 7 3HG2 VAL 7 11.318 -6.796 10.831 779 H ILE 8 H ILE 8 12.763 -5.928 5.130 780 HA ILE 8 HA ILE 8 10.665 -5.280 3.652 781 HB ILE 8 HB ILE 8 13.021 -6.944 3.111 782 1HG1 ILE 8 2HG1 ILE 8 12.691 -5.418 0.934 783 2HG1 ILE 8 1HG1 ILE 8 11.656 -4.532 2.050 784 1HG2 ILE 8 1HG2 ILE 8 11.574 -7.080 0.684 785 2HG2 ILE 8 2HG2 ILE 8 10.573 -7.804 1.942 786 3HG2 ILE 8 3HG2 ILE 8 12.205 -8.408 1.659 787 1HD1 ILE 8 1HD1 ILE 8 14.053 -5.080 3.419 788 2HD1 ILE 8 2HD1 ILE 8 13.448 -3.524 2.851 789 3HD1 ILE 8 3HD1 ILE 8 14.491 -4.497 1.813 790 H LYS 9 H LYS 9 8.995 -6.308 2.477 791 HA LYS 9 HA LYS 9 8.232 -9.011 3.254 792 1HB LYS 9 2HB LYS 9 6.314 -6.703 3.609 793 2HB LYS 9 1HB LYS 9 6.028 -8.391 4.007 794 1HG LYS 9 2HG LYS 9 8.353 -7.225 5.346 795 2HG LYS 9 1HG LYS 9 6.813 -6.472 5.767 796 1HD LYS 9 2HD LYS 9 6.403 -8.167 7.145 797 2HD LYS 9 1HD LYS 9 6.373 -9.254 5.755 798 1HE LYS 9 2HE LYS 9 8.914 -9.324 5.973 799 2HE LYS 9 1HE LYS 9 8.682 -8.579 7.554 800 1HZ LYS 9 1HZ LYS 9 6.928 -10.658 7.552 801 2HZ LYS 9 2HZ LYS 9 8.448 -10.649 8.296 802 3HZ LYS 9 3HZ LYS 9 8.272 -11.294 6.742 803 H ASN 10 H ASN 10 8.514 -6.584 1.023 804 HA ASN 10 HA ASN 10 7.545 -8.107 -1.121 805 1HB ASN 10 2HB ASN 10 5.571 -6.405 0.204 806 2HB ASN 10 1HB ASN 10 5.736 -6.052 -1.513 807 1HD2 ASN 10 1HD2 ASN 10 6.676 -9.128 -1.273 808 2HD2 ASN 10 2HD2 ASN 10 5.176 -9.940 -1.535 809 H ALA 11 H ALA 11 9.531 -7.491 -1.966 810 HA ALA 11 HA ALA 11 9.658 -4.697 -2.889 811 1HB ALA 11 1HB ALA 11 11.294 -5.461 -0.999 812 2HB ALA 11 2HB ALA 11 11.875 -4.463 -2.333 813 3HB ALA 11 3HB ALA 11 12.171 -6.201 -2.338 814 H ASP 12 H ASP 12 8.996 -5.030 -4.967 815 HA ASP 12 HA ASP 12 10.305 -7.107 -6.548 816 1HB ASP 12 2HB ASP 12 7.993 -5.267 -7.196 817 2HB ASP 12 1HB ASP 12 8.651 -6.467 -8.306 818 H MET 13 H MET 13 11.635 -4.659 -5.587 819 HA MET 13 HA MET 13 12.311 -3.401 -8.162 820 1HB MET 13 2HB MET 13 11.593 -1.685 -6.736 821 2HB MET 13 1HB MET 13 12.371 -2.397 -5.330 822 1HG MET 13 2HG MET 13 14.417 -1.534 -5.847 823 2HG MET 13 1HG MET 13 14.088 -1.495 -7.578 824 1HE MET 13 1HE MET 13 11.702 1.005 -4.767 825 2HE MET 13 2HE MET 13 13.368 1.131 -4.201 826 3HE MET 13 3HE MET 13 12.612 -0.453 -4.372 827 H SER 14 H SER 14 14.653 -2.632 -8.249 828 HA SER 14 HA SER 14 16.384 -4.764 -8.281 829 1HB SER 14 2HB SER 14 16.591 -2.243 -9.138 830 2HB SER 14 1HB SER 14 17.565 -2.096 -7.675 831 HG SER 14 HG SER 14 18.932 -3.670 -8.444 832 H GLU 15 H GLU 15 17.411 -5.919 -6.786 833 HA GLU 15 HA GLU 15 17.021 -5.890 -4.122 834 1HB GLU 15 2HB GLU 15 19.604 -6.558 -5.541 835 2HB GLU 15 1HB GLU 15 19.264 -6.969 -3.866 836 1HG GLU 15 2HG GLU 15 17.186 -8.161 -4.820 837 2HG GLU 15 1HG GLU 15 18.034 -8.060 -6.360 838 H GLU 16 H GLU 16 19.801 -4.272 -5.667 839 HA GLU 16 HA GLU 16 20.822 -3.056 -3.383 840 1HB GLU 16 2HB GLU 16 20.925 -1.691 -6.053 841 2HB GLU 16 1HB GLU 16 22.159 -1.768 -4.803 842 1HG GLU 16 2HG GLU 16 22.485 -4.150 -5.296 843 2HG GLU 16 1HG GLU 16 21.285 -4.032 -6.582 844 H MET 17 H MET 17 18.149 -2.142 -5.428 845 HA MET 17 HA MET 17 17.905 0.529 -4.455 846 1HB MET 17 2HB MET 17 16.211 -1.305 -6.097 847 2HB MET 17 1HB MET 17 15.481 0.142 -5.416 848 1HG MET 17 2HG MET 17 17.647 -0.098 -7.456 849 2HG MET 17 1HG MET 17 16.142 0.814 -7.526 850 1HE MET 17 1HE MET 17 16.445 2.205 -4.418 851 2HE MET 17 2HE MET 17 15.646 2.803 -5.872 852 3HE MET 17 3HE MET 17 16.884 3.780 -5.083 853 H GLN 18 H GLN 18 16.299 -2.539 -3.677 854 HA GLN 18 HA GLN 18 14.459 -1.494 -1.824 855 1HB GLN 18 2HB GLN 18 14.968 -4.056 -0.929 856 2HB GLN 18 1HB GLN 18 13.767 -3.601 -2.130 857 1HG GLN 18 2HG GLN 18 16.184 -3.810 -3.520 858 2HG GLN 18 1HG GLN 18 16.133 -5.192 -2.426 859 1HE2 GLN 18 1HE2 GLN 18 13.235 -3.708 -3.622 860 2HE2 GLN 18 2HE2 GLN 18 12.766 -4.992 -4.678 861 H GLN 19 H GLN 19 17.818 -2.436 -1.507 862 HA GLN 19 HA GLN 19 17.827 -2.390 1.357 863 1HB GLN 19 2HB GLN 19 19.826 -2.743 -0.799 864 2HB GLN 19 1HB GLN 19 20.436 -2.066 0.704 865 1HG GLN 19 2HG GLN 19 19.470 -3.998 1.912 866 2HG GLN 19 1HG GLN 19 19.005 -4.689 0.359 867 1HE2 GLN 19 1HE2 GLN 19 21.218 -4.066 -1.158 868 2HE2 GLN 19 2HE2 GLN 19 22.583 -4.942 -0.565 869 H ASP 20 H ASP 20 18.744 -0.193 -1.235 870 HA ASP 20 HA ASP 20 19.700 1.864 0.461 871 1HB ASP 20 2HB ASP 20 18.660 2.012 -2.380 872 2HB ASP 20 1HB ASP 20 19.526 3.303 -1.552 873 H SER 21 H SER 21 16.589 0.885 -0.692 874 HA SER 21 HA SER 21 15.171 3.274 -0.145 875 1HB SER 21 2HB SER 21 13.674 2.053 -1.298 876 2HB SER 21 1HB SER 21 14.544 0.557 -0.966 877 HG SER 21 HG SER 21 12.255 1.071 -0.050 878 H VAL 22 H VAL 22 15.669 0.278 1.711 879 HA VAL 22 HA VAL 22 14.193 0.955 3.970 880 HB VAL 22 HB VAL 22 16.734 -0.670 3.835 881 1HG1 VAL 22 1HG1 VAL 22 16.271 0.158 6.097 882 2HG1 VAL 22 2HG1 VAL 22 16.086 -1.592 5.981 883 3HG1 VAL 22 3HG1 VAL 22 14.661 -0.556 6.017 884 1HG2 VAL 22 1HG2 VAL 22 14.617 -2.376 4.274 885 2HG2 VAL 22 2HG2 VAL 22 15.433 -2.114 2.734 886 3HG2 VAL 22 3HG2 VAL 22 13.967 -1.212 3.117 887 H GLU 23 H GLU 23 17.648 1.507 3.298 888 HA GLU 23 HA GLU 23 18.274 2.825 5.682 889 1HB GLU 23 2HB GLU 23 19.422 3.128 2.903 890 2HB GLU 23 1HB GLU 23 20.108 3.913 4.321 891 1HG GLU 23 2HG GLU 23 19.722 1.099 4.795 892 2HG GLU 23 1HG GLU 23 20.684 1.370 3.344 893 H CYS 24 H CYS 24 16.767 3.966 2.728 894 HA CYS 24 HA CYS 24 16.870 6.739 3.366 895 1HB CYS 24 2HB CYS 24 15.419 5.057 1.370 896 2HB CYS 24 1HB CYS 24 14.814 6.681 1.680 897 HG CYS 24 HG CYS 24 17.623 7.103 1.099 898 H ALA 25 H ALA 25 14.616 4.118 3.986 899 HA ALA 25 HA ALA 25 12.542 5.766 5.067 900 1HB ALA 25 1HB ALA 25 13.083 2.865 4.830 901 2HB ALA 25 2HB ALA 25 11.598 3.768 4.527 902 3HB ALA 25 3HB ALA 25 12.058 3.356 6.179 903 H THR 26 H THR 26 15.437 4.269 6.135 904 HA THR 26 HA THR 26 14.986 4.523 8.946 905 HB THR 26 HB THR 26 17.672 4.326 7.601 906 HG1 THR 26 1HG THR 26 17.160 1.952 7.939 907 1HG2 THR 26 1HG2 THR 26 18.435 3.919 9.619 908 2HG2 THR 26 2HG2 THR 26 17.315 2.567 9.792 909 3HG2 THR 26 3HG2 THR 26 16.822 4.190 10.277 910 H GLN 27 H GLN 27 16.622 6.384 6.435 911 HA GLN 27 HA GLN 27 17.858 8.307 8.028 912 1HB GLN 27 2HB GLN 27 16.845 8.267 5.212 913 2HB GLN 27 1HB GLN 27 17.375 9.794 5.904 914 1HG GLN 27 2HG GLN 27 19.173 7.444 6.143 915 2HG GLN 27 1HG GLN 27 19.017 8.228 4.571 916 1HE2 GLN 27 1HE2 GLN 27 19.567 8.994 7.987 917 2HE2 GLN 27 2HE2 GLN 27 20.697 10.267 7.699 918 H ALA 28 H ALA 28 14.608 8.181 6.657 919 HA ALA 28 HA ALA 28 13.753 10.696 7.675 920 1HB ALA 28 1HB ALA 28 12.666 9.455 5.793 921 2HB ALA 28 2HB ALA 28 11.545 10.024 7.030 922 3HB ALA 28 3HB ALA 28 12.019 8.326 6.984 923 H LEU 29 H LEU 29 13.698 7.397 8.869 924 HA LEU 29 HA LEU 29 12.027 7.813 11.101 925 1HB LEU 29 2HB LEU 29 14.042 5.751 10.330 926 2HB LEU 29 1HB LEU 29 13.380 5.750 11.955 927 HG LEU 29 HG LEU 29 11.389 5.899 9.787 928 1HD1 LEU 29 1HD1 LEU 29 13.307 3.642 10.070 929 2HD1 LEU 29 2HD1 LEU 29 12.584 4.333 8.618 930 3HD1 LEU 29 3HD1 LEU 29 11.622 3.302 9.675 931 1HD2 LEU 29 1HD2 LEU 29 10.082 4.706 11.263 932 2HD2 LEU 29 2HD2 LEU 29 11.110 5.635 12.355 933 3HD2 LEU 29 3HD2 LEU 29 11.470 3.938 12.035 934 H GLU 30 H GLU 30 15.520 8.000 10.660 935 HA GLU 30 HA GLU 30 16.067 8.533 13.419 936 1HB GLU 30 2HB GLU 30 17.561 7.915 11.073 937 2HB GLU 30 1HB GLU 30 18.205 9.406 11.745 938 1HG GLU 30 2HG GLU 30 17.716 7.308 13.724 939 2HG GLU 30 1HG GLU 30 18.923 6.898 12.506 940 H LYS 31 H LYS 31 15.284 10.412 10.620 941 HA LYS 31 HA LYS 31 16.155 12.909 11.822 942 1HB LYS 31 2HB LYS 31 14.668 12.399 9.238 943 2HB LYS 31 1HB LYS 31 15.334 13.943 9.750 944 1HG LYS 31 2HG LYS 31 16.972 11.465 9.265 945 2HG LYS 31 1HG LYS 31 16.718 12.749 8.080 946 1HD LYS 31 2HD LYS 31 17.541 14.169 10.251 947 2HD LYS 31 1HD LYS 31 18.458 12.673 10.444 948 1HE LYS 31 2HE LYS 31 18.381 14.365 7.948 949 2HE LYS 31 1HE LYS 31 19.679 14.372 9.142 950 1HZ LYS 31 1HZ LYS 31 20.269 12.972 7.297 951 2HZ LYS 31 2HZ LYS 31 18.847 12.070 7.459 952 3HZ LYS 31 3HZ LYS 31 20.031 12.003 8.665 953 H TYR 32 H TYR 32 13.317 10.985 11.570 954 HA TYR 32 HA TYR 32 11.868 12.760 13.305 955 1HB TYR 32 2HB TYR 32 10.118 12.191 11.061 956 2HB TYR 32 1HB TYR 32 10.443 13.722 11.863 957 HD1 TYR 32 1HD TYR 32 11.460 11.487 9.126 958 HD2 TYR 32 2HD TYR 32 12.037 15.283 10.958 959 HE1 TYR 32 1HE TYR 32 12.703 12.247 7.146 960 HE2 TYR 32 2HE TYR 32 13.282 16.054 8.983 961 HH TYR 32 HH TYR 32 14.694 14.405 6.941 962 H ASN 33 H ASN 33 9.737 11.822 13.925 963 HA ASN 33 HA ASN 33 9.738 8.892 13.619 964 1HB ASN 33 2HB ASN 33 8.466 9.644 16.067 965 2HB ASN 33 1HB ASN 33 9.894 8.641 15.832 966 1HD2 ASN 33 1HD2 ASN 33 11.283 9.324 17.309 967 2HD2 ASN 33 2HD2 ASN 33 11.789 10.961 17.530 968 H ILE 34 H ILE 34 8.289 10.921 12.105 969 HA ILE 34 HA ILE 34 5.523 10.254 12.875 970 HB ILE 34 HB ILE 34 6.109 12.450 10.948 971 1HG1 ILE 34 2HG1 ILE 34 7.641 12.922 12.782 972 2HG1 ILE 34 1HG1 ILE 34 6.299 14.061 12.807 973 1HG2 ILE 34 1HG2 ILE 34 4.120 13.393 12.335 974 2HG2 ILE 34 2HG2 ILE 34 3.945 11.720 12.865 975 3HG2 ILE 34 3HG2 ILE 34 3.838 12.116 11.150 976 1HD1 ILE 34 1HD1 ILE 34 7.183 12.823 14.978 977 2HD1 ILE 34 2HD1 ILE 34 6.009 11.622 14.439 978 3HD1 ILE 34 3HD1 ILE 34 5.495 13.278 14.759 979 H GLU 35 H GLU 35 4.926 8.511 11.723 980 HA GLU 35 HA GLU 35 5.833 7.325 9.549 981 1HB GLU 35 2HB GLU 35 3.044 7.810 10.448 982 2HB GLU 35 1HB GLU 35 3.258 7.151 8.833 983 1HG GLU 35 2HG GLU 35 2.913 5.411 10.519 984 2HG GLU 35 1HG GLU 35 4.475 5.268 9.713 985 H LYS 36 H LYS 36 3.229 9.706 9.028 986 HA LYS 36 HA LYS 36 3.443 10.034 6.338 987 1HB LYS 36 2HB LYS 36 3.037 12.641 7.211 988 2HB LYS 36 1HB LYS 36 1.792 11.440 6.895 989 1HG LYS 36 2HG LYS 36 1.843 10.752 9.229 990 2HG LYS 36 1HG LYS 36 3.120 11.926 9.555 991 1HD LYS 36 2HD LYS 36 1.435 13.299 10.114 992 2HD LYS 36 1HD LYS 36 1.215 13.483 8.373 993 1HE LYS 36 2HE LYS 36 -0.687 12.274 8.354 994 2HE LYS 36 1HE LYS 36 -0.098 11.138 9.567 995 1HZ LYS 36 1HZ LYS 36 -0.911 12.377 11.259 996 2HZ LYS 36 2HZ LYS 36 -2.010 12.869 10.072 997 3HZ LYS 36 3HZ LYS 36 -0.690 13.852 10.460 998 H ASP 37 H ASP 37 5.271 11.904 8.761 999 HA ASP 37 HA ASP 37 6.790 13.428 6.998 1000 1HB ASP 37 2HB ASP 37 6.622 13.326 9.676 1001 2HB ASP 37 1HB ASP 37 8.131 12.444 9.463 1002 H ILE 38 H ILE 38 7.823 10.449 8.664 1003 HA ILE 38 HA ILE 38 10.225 9.981 7.499 1004 HB ILE 38 HB ILE 38 8.301 7.693 7.707 1005 1HG1 ILE 38 2HG1 ILE 38 9.640 8.965 10.096 1006 2HG1 ILE 38 1HG1 ILE 38 7.972 9.299 9.645 1007 1HG2 ILE 38 1HG2 ILE 38 11.071 7.773 8.810 1008 2HG2 ILE 38 2HG2 ILE 38 10.831 7.615 7.070 1009 3HG2 ILE 38 3HG2 ILE 38 10.153 6.411 8.167 1010 1HD1 ILE 38 1HD1 ILE 38 7.548 6.830 9.821 1011 2HD1 ILE 38 2HD1 ILE 38 7.917 7.655 11.335 1012 3HD1 ILE 38 3HD1 ILE 38 9.155 6.688 10.534 1013 H ALA 39 H ALA 39 7.111 8.839 6.181 1014 HA ALA 39 HA ALA 39 7.999 7.686 3.848 1015 1HB ALA 39 1HB ALA 39 5.755 8.337 2.898 1016 2HB ALA 39 2HB ALA 39 5.466 9.216 4.398 1017 3HB ALA 39 3HB ALA 39 5.709 7.470 4.433 1018 H ALA 40 H ALA 40 6.987 11.072 4.280 1019 HA ALA 40 HA ALA 40 7.509 12.024 1.741 1020 1HB ALA 40 1HB ALA 40 6.399 13.401 3.360 1021 2HB ALA 40 2HB ALA 40 7.868 14.233 2.848 1022 3HB ALA 40 3HB ALA 40 7.821 13.403 4.404 1023 H HIS 41 H HIS 41 9.703 12.543 4.487 1024 HA HIS 41 HA HIS 41 11.946 13.413 3.337 1025 1HB HIS 41 2HB HIS 41 12.169 13.058 5.618 1026 2HB HIS 41 1HB HIS 41 11.518 11.427 5.534 1027 HD1 HIS 41 1HD HIS 41 14.503 12.966 6.378 1028 HD2 HIS 41 2HD HIS 41 13.599 9.799 3.845 1029 HE1 HIS 41 1HE HIS 41 16.641 11.662 6.143 1030 HE2 HIS 41 2HE HIS 41 16.084 9.784 4.559 1031 H ILE 42 H ILE 42 10.845 10.056 3.247 1032 HA ILE 42 HA ILE 42 13.087 9.038 1.838 1033 HB ILE 42 HB ILE 42 10.287 7.914 1.961 1034 1HG1 ILE 42 2HG1 ILE 42 12.649 7.132 3.668 1035 2HG1 ILE 42 1HG1 ILE 42 11.480 8.346 4.177 1036 1HG2 ILE 42 1HG2 ILE 42 12.738 6.262 1.609 1037 2HG2 ILE 42 2HG2 ILE 42 12.073 7.117 0.217 1038 3HG2 ILE 42 3HG2 ILE 42 11.082 5.949 1.091 1039 1HD1 ILE 42 1HD1 ILE 42 10.659 5.574 3.383 1040 2HD1 ILE 42 2HD1 ILE 42 9.746 6.775 4.298 1041 3HD1 ILE 42 3HD1 ILE 42 11.145 5.985 5.028 1042 H LYS 43 H LYS 43 9.732 9.387 0.671 1043 HA LYS 43 HA LYS 43 10.057 8.958 -1.971 1044 1HB LYS 43 2HB LYS 43 7.874 9.430 -1.151 1045 2HB LYS 43 1HB LYS 43 8.347 11.035 -0.609 1046 1HG LYS 43 2HG LYS 43 8.515 11.822 -2.859 1047 2HG LYS 43 1HG LYS 43 8.290 10.191 -3.497 1048 1HD LYS 43 2HD LYS 43 6.071 10.376 -3.393 1049 2HD LYS 43 1HD LYS 43 6.132 10.939 -1.722 1050 1HE LYS 43 2HE LYS 43 5.314 12.842 -2.615 1051 2HE LYS 43 1HE LYS 43 7.009 13.143 -2.995 1052 1HZ LYS 43 1HZ LYS 43 5.383 13.443 -4.870 1053 2HZ LYS 43 2HZ LYS 43 5.175 11.764 -4.869 1054 3HZ LYS 43 3HZ LYS 43 6.695 12.427 -5.201 1055 H LYS 44 H LYS 44 10.764 12.004 -0.309 1056 HA LYS 44 HA LYS 44 11.503 13.429 -2.644 1057 1HB LYS 44 2HB LYS 44 11.751 13.858 0.288 1058 2HB LYS 44 1HB LYS 44 12.780 14.818 -0.767 1059 1HG LYS 44 2HG LYS 44 9.952 14.716 -1.551 1060 2HG LYS 44 1HG LYS 44 10.282 15.518 -0.013 1061 1HD LYS 44 2HD LYS 44 12.210 16.627 -1.498 1062 2HD LYS 44 1HD LYS 44 11.031 16.299 -2.769 1063 1HE LYS 44 2HE LYS 44 10.975 18.566 -1.478 1064 2HE LYS 44 1HE LYS 44 9.472 17.736 -1.880 1065 1HZ LYS 44 1HZ LYS 44 10.745 17.148 0.693 1066 2HZ LYS 44 2HZ LYS 44 9.105 17.155 0.282 1067 3HZ LYS 44 3HZ LYS 44 9.922 18.616 0.525 1068 H GLU 45 H GLU 45 13.428 11.843 -0.118 1069 HA GLU 45 HA GLU 45 15.940 12.431 -1.236 1070 1HB GLU 45 2HB GLU 45 15.611 11.695 1.100 1071 2HB GLU 45 1HB GLU 45 15.174 10.093 0.522 1072 1HG GLU 45 2HG GLU 45 17.380 9.734 -0.339 1073 2HG GLU 45 1HG GLU 45 17.837 11.399 0.018 1074 H PHE 46 H PHE 46 13.582 10.011 -1.997 1075 HA PHE 46 HA PHE 46 15.409 8.318 -3.439 1076 1HB PHE 46 2HB PHE 46 12.636 8.217 -2.617 1077 2HB PHE 46 1HB PHE 46 12.806 7.746 -4.306 1078 HD1 PHE 46 1HD PHE 46 13.438 5.588 -4.842 1079 HD2 PHE 46 2HD PHE 46 14.224 7.080 -0.936 1080 HE1 PHE 46 1HE PHE 46 14.192 3.353 -4.145 1081 HE2 PHE 46 2HE PHE 46 14.980 4.848 -0.232 1082 HZ PHE 46 HZ PHE 46 14.965 2.981 -1.837 1083 H ASP 47 H ASP 47 13.097 10.854 -4.214 1084 HA ASP 47 HA ASP 47 13.220 10.548 -7.027 1085 1HB ASP 47 2HB ASP 47 11.559 12.044 -6.930 1086 2HB ASP 47 1HB ASP 47 11.804 12.157 -5.193 1087 H LYS 48 H LYS 48 15.153 12.297 -4.690 1088 HA LYS 48 HA LYS 48 16.657 13.641 -6.786 1089 1HB LYS 48 2HB LYS 48 16.402 13.897 -3.853 1090 2HB LYS 48 1HB LYS 48 17.992 14.253 -4.512 1091 1HG LYS 48 2HG LYS 48 15.516 15.503 -5.645 1092 2HG LYS 48 1HG LYS 48 16.343 16.184 -4.243 1093 1HD LYS 48 2HD LYS 48 17.820 15.556 -6.779 1094 2HD LYS 48 1HD LYS 48 16.958 17.083 -6.572 1095 1HE LYS 48 2HE LYS 48 18.355 16.952 -4.250 1096 2HE LYS 48 1HE LYS 48 19.463 16.137 -5.353 1097 1HZ LYS 48 1HZ LYS 48 18.252 18.732 -6.067 1098 2HZ LYS 48 2HZ LYS 48 19.662 18.020 -6.669 1099 3HZ LYS 48 3HZ LYS 48 19.641 18.660 -5.104 1100 H LYS 49 H LYS 49 17.013 11.007 -4.498 1101 HA LYS 49 HA LYS 49 19.818 10.645 -5.053 1102 1HB LYS 49 2HB LYS 49 18.587 10.078 -2.869 1103 2HB LYS 49 1HB LYS 49 18.030 8.635 -3.705 1104 1HG LYS 49 2HG LYS 49 20.520 8.208 -4.187 1105 2HG LYS 49 1HG LYS 49 20.814 9.392 -2.912 1106 1HD LYS 49 2HD LYS 49 19.858 8.051 -1.273 1107 2HD LYS 49 1HD LYS 49 18.954 7.093 -2.447 1108 1HE LYS 49 2HE LYS 49 20.576 5.574 -2.155 1109 2HE LYS 49 1HE LYS 49 21.525 6.619 -3.211 1110 1HZ LYS 49 1HZ LYS 49 21.499 6.789 -0.245 1111 2HZ LYS 49 2HZ LYS 49 22.474 7.689 -1.294 1112 3HZ LYS 49 3HZ LYS 49 22.698 6.018 -1.158 1113 H TYR 50 H TYR 50 16.949 9.774 -6.619 1114 HA TYR 50 HA TYR 50 18.445 7.944 -8.337 1115 1HB TYR 50 2HB TYR 50 15.677 7.238 -7.374 1116 2HB TYR 50 1HB TYR 50 16.788 6.232 -8.296 1117 HD1 TYR 50 1HD TYR 50 15.980 7.564 -4.976 1118 HD2 TYR 50 2HD TYR 50 18.623 5.082 -7.205 1119 HE1 TYR 50 1HE TYR 50 16.831 6.597 -2.881 1120 HE2 TYR 50 2HE TYR 50 19.480 4.108 -5.115 1121 HH TYR 50 HH TYR 50 18.076 4.945 -1.986 1122 H ASN 51 H ASN 51 15.061 9.035 -7.998 1123 HA ASN 51 HA ASN 51 14.838 10.922 -9.902 1124 1HB ASN 51 2HB ASN 51 15.848 8.808 -11.266 1125 2HB ASN 51 1HB ASN 51 14.124 8.519 -11.477 1126 1HD2 ASN 51 1HD2 ASN 51 13.018 9.704 -12.909 1127 2HD2 ASN 51 2HD2 ASN 51 13.680 11.008 -13.829 1128 HA PRO 52 HA PRO 52 10.824 10.252 -8.015 1129 1HB PRO 52 2HB PRO 52 9.626 12.414 -9.230 1130 2HB PRO 52 1HB PRO 52 10.582 12.503 -7.746 1131 1HG PRO 52 2HG PRO 52 11.398 13.089 -10.564 1132 2HG PRO 52 1HG PRO 52 11.786 13.974 -9.077 1133 1HD PRO 52 2HD PRO 52 13.564 12.324 -10.216 1134 2HD PRO 52 1HD PRO 52 13.424 12.452 -8.450 1135 H THR 53 H THR 53 8.298 9.390 -10.423 1136 HA THR 53 HA THR 53 8.966 10.688 -7.874 1137 HB THR 53 HB THR 53 7.111 11.616 -9.418 1138 HG1 THR 53 1HG THR 53 6.479 11.030 -6.719 1139 1HG2 THR 53 1HG2 THR 53 4.882 10.671 -8.931 1140 2HG2 THR 53 2HG2 THR 53 5.676 9.273 -8.207 1141 3HG2 THR 53 3HG2 THR 53 5.898 9.624 -9.920 1142 H TRP 54 H TRP 54 9.164 9.402 -6.181 1143 HA TRP 54 HA TRP 54 8.197 6.664 -6.335 1144 1HB TRP 54 2HB TRP 54 9.824 7.986 -4.158 1145 2HB TRP 54 1HB TRP 54 9.538 6.260 -4.351 1146 HD1 TRP 54 HD TRP 54 11.262 9.144 -6.291 1147 HE1 TRP 54 1HE TRP 54 13.287 8.152 -7.529 1148 HE3 TRP 54 3HE TRP 54 10.627 4.222 -5.078 1149 HZ2 TRP 54 2HZ TRP 54 14.470 5.618 -7.932 1150 HZ3 TRP 54 3HZ TRP 54 12.244 2.580 -5.933 1151 HH2 TRP 54 HH TRP 54 14.124 3.259 -7.324 1152 H HIS 55 H HIS 55 6.715 5.748 -5.014 1153 HA HIS 55 HA HIS 55 5.135 7.580 -3.339 1154 1HB HIS 55 2HB HIS 55 4.292 4.909 -4.487 1155 2HB HIS 55 1HB HIS 55 3.262 6.080 -3.673 1156 HD1 HIS 55 1HD HIS 55 1.717 6.370 -5.694 1157 HD2 HIS 55 2HD HIS 55 5.691 7.280 -6.487 1158 HE1 HIS 55 1HE HIS 55 1.707 7.522 -7.928 1159 HE2 HIS 55 2HE HIS 55 4.114 8.137 -8.350 1160 H CYS 56 H CYS 56 5.892 7.431 -1.304 1161 HA CYS 56 HA CYS 56 6.502 4.742 -0.275 1162 1HB CYS 56 2HB CYS 56 8.458 6.055 -0.154 1163 2HB CYS 56 1HB CYS 56 7.580 7.451 0.461 1164 HG CYS 56 HG CYS 56 7.513 5.115 2.397 1165 H ILE 57 H ILE 57 5.474 3.920 1.390 1166 HA ILE 57 HA ILE 57 3.716 5.647 3.006 1167 HB ILE 57 HB ILE 57 3.058 2.812 2.196 1168 1HG1 ILE 57 2HG1 ILE 57 2.844 4.114 0.210 1169 2HG1 ILE 57 1HG1 ILE 57 1.219 3.920 0.854 1170 1HG2 ILE 57 1HG2 ILE 57 0.909 3.226 3.205 1171 2HG2 ILE 57 2HG2 ILE 57 1.352 4.897 3.550 1172 3HG2 ILE 57 3HG2 ILE 57 2.179 3.578 4.377 1173 1HD1 ILE 57 1HD1 ILE 57 0.981 6.118 1.269 1174 2HD1 ILE 57 2HD1 ILE 57 2.204 6.249 0.006 1175 3HD1 ILE 57 3HD1 ILE 57 2.677 6.335 1.702 1176 H VAL 58 H VAL 58 4.961 5.754 4.817 1177 HA VAL 58 HA VAL 58 6.009 3.242 5.914 1178 HB VAL 58 HB VAL 58 7.747 4.834 5.668 1179 1HG1 VAL 58 1HG1 VAL 58 7.671 7.079 6.568 1180 2HG1 VAL 58 2HG1 VAL 58 6.056 6.790 7.217 1181 3HG1 VAL 58 3HG1 VAL 58 6.313 6.822 5.472 1182 1HG2 VAL 58 1HG2 VAL 58 7.866 3.571 7.725 1183 2HG2 VAL 58 2HG2 VAL 58 6.845 4.752 8.545 1184 3HG2 VAL 58 3HG2 VAL 58 8.461 5.207 8.004 1185 H GLY 59 H GLY 59 4.926 2.308 7.487 1186 1HA GLY 59 2HA GLY 59 3.548 4.007 9.458 1187 2HA GLY 59 1HA GLY 59 2.705 2.652 8.721 1188 H ARG 60 H ARG 60 2.696 0.846 9.881 1189 HA ARG 60 HA ARG 60 4.971 -0.261 11.103 1190 1HB ARG 60 2HB ARG 60 3.945 -0.063 13.473 1191 2HB ARG 60 1HB ARG 60 4.878 1.277 12.822 1192 1HG ARG 60 2HG ARG 60 2.732 2.331 12.121 1193 2HG ARG 60 1HG ARG 60 1.886 1.053 12.995 1194 1HD ARG 60 2HD ARG 60 3.996 2.478 14.487 1195 2HD ARG 60 1HD ARG 60 2.557 3.418 14.086 1196 HE ARG 60 HE ARG 60 1.855 0.901 15.192 1197 1HH1 ARG 60 1HH1 ARG 60 3.049 4.060 16.046 1198 2HH1 ARG 60 2HH1 ARG 60 2.420 4.003 17.658 1199 1HH2 ARG 60 1HH2 ARG 60 1.018 0.817 17.307 1200 2HH2 ARG 60 2HH2 ARG 60 1.265 2.158 18.376 1201 H ASN 61 H ASN 61 1.489 -0.063 10.838 1202 HA ASN 61 HA ASN 61 1.317 -2.944 10.672 1203 1HB ASN 61 2HB ASN 61 0.776 -1.655 13.136 1204 2HB ASN 61 1HB ASN 61 -0.776 -2.144 12.462 1205 1HD2 ASN 61 1HD2 ASN 61 1.520 -4.140 11.213 1206 2HD2 ASN 61 2HD2 ASN 61 1.400 -5.450 12.332 1207 H PHE 62 H PHE 62 0.914 -1.020 8.715 1208 HA PHE 62 HA PHE 62 -1.993 -0.765 8.464 1209 1HB PHE 62 2HB PHE 62 -1.590 0.862 6.760 1210 2HB PHE 62 1HB PHE 62 -0.509 1.233 8.100 1211 HD1 PHE 62 1HD PHE 62 -0.764 0.446 4.619 1212 HD2 PHE 62 2HD PHE 62 1.905 0.523 7.932 1213 HE1 PHE 62 1HE PHE 62 1.148 0.391 3.075 1214 HE2 PHE 62 2HE PHE 62 3.823 0.468 6.394 1215 HZ PHE 62 HZ PHE 62 3.446 0.403 3.960 1216 H GLY 63 H GLY 63 -2.257 -0.665 5.743 1217 1HA GLY 63 2HA GLY 63 -1.271 -3.243 4.736 1218 2HA GLY 63 1HA GLY 63 -3.006 -2.952 4.774 1219 H SER 64 H SER 64 -0.044 -2.336 3.143 1220 HA SER 64 HA SER 64 -1.217 -0.329 1.405 1221 1HB SER 64 2HB SER 64 1.101 -0.557 0.260 1222 2HB SER 64 1HB SER 64 1.012 0.190 1.853 1223 HG SER 64 HG SER 64 2.587 -1.686 1.292 1224 H TYR 65 H TYR 65 -2.096 -0.686 -0.501 1225 HA TYR 65 HA TYR 65 -1.466 -3.139 -1.966 1226 1HB TYR 65 2HB TYR 65 -3.566 -3.489 -0.618 1227 2HB TYR 65 1HB TYR 65 -4.309 -2.194 -1.553 1228 HD1 TYR 65 1HD TYR 65 -2.870 -5.592 -1.768 1229 HD2 TYR 65 2HD TYR 65 -5.132 -2.581 -3.748 1230 HE1 TYR 65 1HE TYR 65 -3.506 -7.217 -3.499 1231 HE2 TYR 65 2HE TYR 65 -5.776 -4.198 -5.484 1232 HH TYR 65 HH TYR 65 -5.208 -6.250 -6.391 1233 H VAL 66 H VAL 66 -0.286 -1.795 -3.370 1234 HA VAL 66 HA VAL 66 -1.977 -0.287 -5.236 1235 HB VAL 66 HB VAL 66 -0.405 1.515 -5.409 1236 1HG1 VAL 66 1HG1 VAL 66 -1.178 2.596 -3.605 1237 2HG1 VAL 66 2HG1 VAL 66 -0.433 1.456 -2.487 1238 3HG1 VAL 66 3HG1 VAL 66 -1.991 1.080 -3.224 1239 1HG2 VAL 66 1HG2 VAL 66 1.467 1.407 -3.492 1240 2HG2 VAL 66 2HG2 VAL 66 1.735 0.832 -5.137 1241 3HG2 VAL 66 3HG2 VAL 66 1.323 -0.312 -3.860 1242 H THR 67 H THR 67 -1.410 -0.438 -7.359 1243 HA THR 67 HA THR 67 0.231 -2.630 -8.124 1244 HB THR 67 HB THR 67 -1.849 -1.594 -9.309 1245 HG1 THR 67 1HG THR 67 -0.915 -2.342 -11.362 1246 1HG2 THR 67 1HG2 THR 67 -1.118 0.613 -9.752 1247 2HG2 THR 67 2HG2 THR 67 -1.163 -0.244 -11.293 1248 3HG2 THR 67 3HG2 THR 67 0.379 0.038 -10.485 1249 H HIS 68 H HIS 68 2.255 -2.695 -8.998 1250 HA HIS 68 HA HIS 68 3.830 -0.238 -8.760 1251 1HB HIS 68 2HB HIS 68 5.792 -1.690 -8.746 1252 2HB HIS 68 1HB HIS 68 4.635 -2.217 -7.530 1253 HD1 HIS 68 1HD HIS 68 4.260 -3.123 -11.159 1254 HD2 HIS 68 2HD HIS 68 5.445 -4.867 -7.579 1255 HE1 HIS 68 1HE HIS 68 4.454 -5.583 -11.641 1256 HE2 HIS 68 2HE HIS 68 5.264 -6.604 -9.485 1257 H GLU 69 H GLU 69 5.529 0.143 -10.417 1258 HA GLU 69 HA GLU 69 4.741 -0.843 -13.072 1259 1HB GLU 69 2HB GLU 69 5.708 1.944 -12.939 1260 2HB GLU 69 1HB GLU 69 4.463 1.229 -13.954 1261 1HG GLU 69 2HG GLU 69 3.490 1.163 -11.316 1262 2HG GLU 69 1HG GLU 69 4.185 2.764 -11.567 1263 H THR 70 H THR 70 7.045 1.688 -12.831 1264 HA THR 70 HA THR 70 9.061 0.494 -14.220 1265 HB THR 70 HB THR 70 10.330 2.128 -12.278 1266 HG1 THR 70 1HG THR 70 8.910 3.572 -11.764 1267 1HG2 THR 70 1HG2 THR 70 9.292 3.136 -14.895 1268 2HG2 THR 70 2HG2 THR 70 10.645 2.008 -14.810 1269 3HG2 THR 70 3HG2 THR 70 10.762 3.588 -14.034 1270 H LYS 71 H LYS 71 10.485 1.270 -11.245 1271 HA LYS 71 HA LYS 71 11.679 -1.300 -11.006 1272 1HB LYS 71 2HB LYS 71 11.669 0.818 -8.864 1273 2HB LYS 71 1HB LYS 71 12.892 -0.406 -9.176 1274 1HG LYS 71 2HG LYS 71 12.511 1.277 -11.484 1275 2HG LYS 71 1HG LYS 71 12.888 2.234 -10.049 1276 1HD LYS 71 2HD LYS 71 14.640 0.110 -9.880 1277 2HD LYS 71 1HD LYS 71 14.586 0.454 -11.610 1278 1HE LYS 71 2HE LYS 71 16.197 1.730 -9.849 1279 2HE LYS 71 1HE LYS 71 15.652 2.419 -11.378 1280 1HZ LYS 71 1HZ LYS 71 14.162 3.779 -10.341 1281 2HZ LYS 71 2HZ LYS 71 15.357 3.712 -9.146 1282 3HZ LYS 71 3HZ LYS 71 13.966 2.761 -9.003 1283 H HIS 72 H HIS 72 8.756 -1.246 -10.822 1284 HA HIS 72 HA HIS 72 7.071 -2.225 -9.651 1285 1HB HIS 72 2HB HIS 72 9.393 -3.608 -8.295 1286 2HB HIS 72 1HB HIS 72 7.707 -4.090 -8.132 1287 HD1 HIS 72 1HD HIS 72 6.962 -5.830 -9.722 1288 HD2 HIS 72 2HD HIS 72 10.258 -3.741 -11.148 1289 HE1 HIS 72 1HE HIS 72 7.586 -6.954 -11.882 1290 HE2 HIS 72 2HE HIS 72 9.549 -5.638 -12.757 1291 H PHE 73 H PHE 73 9.341 -2.326 -6.962 1292 HA PHE 73 HA PHE 73 8.891 -0.031 -5.610 1293 1HB PHE 73 2HB PHE 73 6.927 -0.171 -4.347 1294 2HB PHE 73 1HB PHE 73 6.423 -0.739 -5.935 1295 HD1 PHE 73 1HD PHE 73 7.253 -3.480 -6.028 1296 HD2 PHE 73 2HD PHE 73 5.694 -1.264 -2.747 1297 HE1 PHE 73 1HE PHE 73 6.424 -5.565 -5.019 1298 HE2 PHE 73 2HE PHE 73 4.862 -3.346 -1.731 1299 HZ PHE 73 HZ PHE 73 5.229 -5.500 -2.867 1300 H ILE 74 H ILE 74 8.121 -1.100 -3.014 1301 HA ILE 74 HA ILE 74 9.675 -3.363 -2.354 1302 HB ILE 74 HB ILE 74 11.518 -1.753 -2.864 1303 1HG1 ILE 74 2HG1 ILE 74 11.091 -3.100 -0.232 1304 2HG1 ILE 74 1HG1 ILE 74 12.232 -3.484 -1.510 1305 1HG2 ILE 74 1HG2 ILE 74 11.825 -0.099 -0.820 1306 2HG2 ILE 74 2HG2 ILE 74 10.066 -0.203 -0.782 1307 3HG2 ILE 74 3HG2 ILE 74 10.884 0.353 -2.241 1308 1HD1 ILE 74 1HD1 ILE 74 13.530 -2.764 0.292 1309 2HD1 ILE 74 2HD1 ILE 74 12.457 -1.406 0.636 1310 3HD1 ILE 74 3HD1 ILE 74 13.475 -1.381 -0.803 1311 H TYR 75 H TYR 75 9.138 -4.095 -0.396 1312 HA TYR 75 HA TYR 75 7.761 -2.259 1.448 1313 1HB TYR 75 2HB TYR 75 6.370 -4.088 0.155 1314 2HB TYR 75 1HB TYR 75 7.060 -5.171 1.358 1315 HD1 TYR 75 1HD TYR 75 5.486 -1.773 1.328 1316 HD2 TYR 75 2HD TYR 75 5.696 -5.609 3.159 1317 HE1 TYR 75 1HE TYR 75 3.739 -1.101 2.923 1318 HE2 TYR 75 2HE TYR 75 3.950 -4.946 4.758 1319 HH TYR 75 HH TYR 75 2.447 -3.384 5.305 1320 H PHE 76 H PHE 76 8.309 -2.417 3.588 1321 HA PHE 76 HA PHE 76 9.722 -4.647 4.661 1322 1HB PHE 76 2HB PHE 76 11.786 -3.223 5.238 1323 2HB PHE 76 1HB PHE 76 11.663 -3.865 3.603 1324 HD1 PHE 76 1HD PHE 76 10.436 -2.236 1.902 1325 HD2 PHE 76 2HD PHE 76 12.370 -1.028 5.495 1326 HE1 PHE 76 1HE PHE 76 10.694 0.035 0.994 1327 HE2 PHE 76 2HE PHE 76 12.632 1.246 4.595 1328 HZ PHE 76 HZ PHE 76 11.793 1.781 2.342 1329 H TYR 77 H TYR 77 9.912 -4.572 6.890 1330 HA TYR 77 HA TYR 77 8.535 -2.299 8.159 1331 1HB TYR 77 2HB TYR 77 7.236 -4.313 8.389 1332 2HB TYR 77 1HB TYR 77 8.641 -5.216 8.943 1333 HD1 TYR 77 1HD TYR 77 6.111 -2.720 9.869 1334 HD2 TYR 77 2HD TYR 77 9.411 -5.041 11.225 1335 HE1 TYR 77 1HE TYR 77 5.531 -2.179 12.197 1336 HE2 TYR 77 2HE TYR 77 8.837 -4.506 13.554 1337 HH TYR 77 HH TYR 77 7.318 -2.234 14.601 1338 H LEU 78 H LEU 78 9.975 -0.990 9.079 1339 HA LEU 78 HA LEU 78 12.561 -1.821 9.920 1340 1HB LEU 78 2HB LEU 78 10.946 0.687 10.200 1341 2HB LEU 78 1HB LEU 78 12.431 0.507 11.113 1342 HG LEU 78 HG LEU 78 12.738 1.767 9.011 1343 1HD1 LEU 78 1HD1 LEU 78 14.155 -0.876 9.251 1344 2HD1 LEU 78 2HD1 LEU 78 14.661 0.685 9.897 1345 3HD1 LEU 78 3HD1 LEU 78 14.657 0.411 8.154 1346 1HD2 LEU 78 1HD2 LEU 78 11.520 -0.683 7.882 1347 2HD2 LEU 78 2HD2 LEU 78 12.828 0.063 6.964 1348 3HD2 LEU 78 3HD2 LEU 78 11.385 0.997 7.362 1349 H GLY 79 H GLY 79 13.324 -1.323 12.230 1350 1HA GLY 79 2HA GLY 79 12.763 -3.015 14.099 1351 2HA GLY 79 1HA GLY 79 12.888 -1.329 14.573 1352 H GLN 80 H GLN 80 10.769 -0.074 14.267 1353 HA GLN 80 HA GLN 80 8.459 -1.759 14.954 1354 1HB GLN 80 2HB GLN 80 9.798 -0.143 16.776 1355 2HB GLN 80 1HB GLN 80 8.427 0.839 16.277 1356 1HG GLN 80 2HG GLN 80 6.959 -0.434 17.376 1357 2HG GLN 80 1HG GLN 80 7.740 -1.934 16.880 1358 1HE2 GLN 80 1HE2 GLN 80 9.821 0.333 18.299 1359 2HE2 GLN 80 2HE2 GLN 80 9.915 -0.375 19.872 1360 H VAL 81 H VAL 81 9.100 -0.727 12.431 1361 HA VAL 81 HA VAL 81 6.742 0.892 11.932 1362 HB VAL 81 HB VAL 81 9.508 1.844 11.169 1363 1HG1 VAL 81 1HG1 VAL 81 7.675 3.822 10.525 1364 2HG1 VAL 81 2HG1 VAL 81 6.928 2.329 9.955 1365 3HG1 VAL 81 3HG1 VAL 81 8.539 2.777 9.397 1366 1HG2 VAL 81 1HG2 VAL 81 7.419 2.893 13.059 1367 2HG2 VAL 81 2HG2 VAL 81 8.740 3.890 12.449 1368 3HG2 VAL 81 3HG2 VAL 81 9.090 2.453 13.410 1369 H ALA 82 H ALA 82 6.504 1.264 9.494 1370 HA ALA 82 HA ALA 82 7.671 -0.960 7.966 1371 1HB ALA 82 1HB ALA 82 5.534 -1.796 8.450 1372 2HB ALA 82 2HB ALA 82 5.388 -1.127 6.825 1373 3HB ALA 82 3HB ALA 82 4.767 -0.227 8.208 1374 H ILE 83 H ILE 83 7.492 -0.626 5.589 1375 HA ILE 83 HA ILE 83 7.110 2.149 4.777 1376 HB ILE 83 HB ILE 83 9.571 0.990 3.664 1377 1HG1 ILE 83 2HG1 ILE 83 9.612 0.318 6.120 1378 2HG1 ILE 83 1HG1 ILE 83 10.964 1.298 5.567 1379 1HG2 ILE 83 1HG2 ILE 83 8.681 3.665 4.700 1380 2HG2 ILE 83 2HG2 ILE 83 9.020 3.187 3.036 1381 3HG2 ILE 83 3HG2 ILE 83 10.340 3.353 4.193 1382 1HD1 ILE 83 1HD1 ILE 83 10.556 2.553 7.357 1383 2HD1 ILE 83 2HD1 ILE 83 8.954 1.853 7.590 1384 3HD1 ILE 83 3HD1 ILE 83 9.180 3.180 6.452 1385 H LEU 84 H LEU 84 6.292 2.352 2.794 1386 HA LEU 84 HA LEU 84 6.287 -0.006 1.030 1387 1HB LEU 84 2HB LEU 84 4.084 0.044 1.729 1388 2HB LEU 84 1HB LEU 84 4.062 1.790 1.885 1389 HG LEU 84 HG LEU 84 4.227 1.797 -0.704 1390 1HD1 LEU 84 1HD1 LEU 84 4.480 -0.881 -0.394 1391 2HD1 LEU 84 2HD1 LEU 84 3.894 -0.097 -1.861 1392 3HD1 LEU 84 3HD1 LEU 84 2.746 -0.738 -0.686 1393 1HD2 LEU 84 1HD2 LEU 84 2.105 2.442 -0.548 1394 2HD2 LEU 84 2HD2 LEU 84 2.116 1.875 1.121 1395 3HD2 LEU 84 3HD2 LEU 84 1.574 0.804 -0.170 1396 H LEU 85 H LEU 85 8.046 0.799 -0.149 1397 HA LEU 85 HA LEU 85 7.741 3.392 -1.456 1398 1HB LEU 85 2HB LEU 85 9.939 1.825 -0.555 1399 2HB LEU 85 1HB LEU 85 10.100 2.033 -2.289 1400 HG LEU 85 HG LEU 85 9.807 4.522 -1.896 1401 1HD1 LEU 85 1HD1 LEU 85 8.822 4.313 0.358 1402 2HD1 LEU 85 2HD1 LEU 85 10.232 5.371 0.320 1403 3HD1 LEU 85 3HD1 LEU 85 10.376 3.732 0.957 1404 1HD2 LEU 85 1HD2 LEU 85 12.218 3.366 -0.526 1405 2HD2 LEU 85 2HD2 LEU 85 12.103 4.838 -1.490 1406 3HD2 LEU 85 3HD2 LEU 85 11.980 3.261 -2.270 1407 H PHE 86 H PHE 86 6.926 3.569 -3.430 1408 HA PHE 86 HA PHE 86 7.478 1.569 -5.443 1409 1HB PHE 86 2HB PHE 86 5.374 0.723 -5.762 1410 2HB PHE 86 1HB PHE 86 5.286 1.026 -4.032 1411 HD1 PHE 86 1HD PHE 86 4.414 2.443 -7.341 1412 HD2 PHE 86 2HD PHE 86 3.672 2.470 -3.150 1413 HE1 PHE 86 1HE PHE 86 2.440 3.867 -7.703 1414 HE2 PHE 86 2HE PHE 86 1.698 3.894 -3.505 1415 HZ PHE 86 HZ PHE 86 1.079 4.594 -5.784 1416 H LYS 87 H LYS 87 8.007 2.646 -7.213 1417 HA LYS 87 HA LYS 87 7.208 5.417 -7.533 1418 1HB LYS 87 2HB LYS 87 9.423 3.823 -8.334 1419 2HB LYS 87 1HB LYS 87 8.660 4.446 -9.791 1420 1HG LYS 87 2HG LYS 87 8.874 6.708 -8.983 1421 2HG LYS 87 1HG LYS 87 9.530 6.125 -7.452 1422 1HD LYS 87 2HD LYS 87 11.498 6.546 -8.486 1423 2HD LYS 87 1HD LYS 87 11.233 4.929 -9.139 1424 1HE LYS 87 2HE LYS 87 10.615 7.568 -10.462 1425 2HE LYS 87 1HE LYS 87 11.852 6.404 -10.934 1426 1HZ LYS 87 1HZ LYS 87 8.927 5.890 -10.989 1427 2HZ LYS 87 2HZ LYS 87 10.137 4.834 -11.519 1428 3HZ LYS 87 3HZ LYS 87 9.867 6.289 -12.338 1429 H SER 88 H SER 88 5.707 6.166 -8.900 1430 HA SER 88 HA SER 88 4.181 4.215 -10.442 1431 1HB SER 88 2HB SER 88 3.636 6.917 -9.322 1432 2HB SER 88 1HB SER 88 2.740 6.428 -10.760 1433 HG SER 88 HG SER 88 2.552 4.373 -9.254 1434 H GLY 89 H GLY 89 6.828 5.448 -11.162 1435 1HA GLY 89 2HA GLY 89 6.038 6.413 -13.840 1436 2HA GLY 89 1HA GLY 89 7.405 7.089 -12.968 Start of MODEL 7 1 1H MET 1 1HT MET 1 -29.433 4.571 3.869 2 2H MET 1 2HT MET 1 -29.686 4.961 2.217 3 3H MET 1 3HT MET 1 -30.478 5.861 3.446 4 HA MET 1 HA MET 1 -28.657 7.074 2.530 5 1HB MET 1 2HB MET 1 -27.824 6.177 5.268 6 2HB MET 1 1HB MET 1 -27.859 7.802 4.599 7 1HG MET 1 2HG MET 1 -30.449 7.349 4.523 8 2HG MET 1 1HG MET 1 -30.047 6.188 5.787 9 1HE MET 1 1HE MET 1 -31.703 9.537 7.159 10 2HE MET 1 2HE MET 1 -31.968 8.461 5.786 11 3HE MET 1 3HE MET 1 -31.185 10.023 5.545 12 H CYS 2 H CYS 2 -26.188 7.318 2.925 13 HA CYS 2 HA CYS 2 -24.934 5.017 1.709 14 1HB CYS 2 2HB CYS 2 -22.994 6.982 2.350 15 2HB CYS 2 1HB CYS 2 -23.686 6.617 0.772 16 HG CYS 2 HG CYS 2 -24.065 9.161 2.132 17 H ASP 3 H ASP 3 -22.381 6.137 3.168 18 HA ASP 3 HA ASP 3 -22.399 5.606 5.848 19 1HB ASP 3 2HB ASP 3 -23.247 3.311 4.761 20 2HB ASP 3 1HB ASP 3 -21.512 3.029 4.657 21 H ARG 4 H ARG 4 -20.767 7.156 5.632 22 HA ARG 4 HA ARG 4 -18.294 6.367 4.295 23 1HB ARG 4 2HB ARG 4 -19.341 8.682 4.070 24 2HB ARG 4 1HB ARG 4 -18.825 8.967 5.727 25 1HG ARG 4 2HG ARG 4 -16.837 9.583 4.988 26 2HG ARG 4 1HG ARG 4 -16.592 7.972 4.313 27 1HD ARG 4 2HD ARG 4 -16.312 9.469 2.513 28 2HD ARG 4 1HD ARG 4 -17.914 8.762 2.304 29 HE ARG 4 HE ARG 4 -18.791 10.852 2.510 30 1HH1 ARG 4 1HH1 ARG 4 -15.635 10.836 3.984 31 2HH1 ARG 4 2HH1 ARG 4 -15.634 12.538 4.307 32 1HH2 ARG 4 1HH2 ARG 4 -18.801 13.091 2.932 33 2HH2 ARG 4 2HH2 ARG 4 -17.436 13.819 3.709 34 H LYS 5 H LYS 5 -19.515 7.207 7.497 35 HA LYS 5 HA LYS 5 -18.405 7.260 9.537 36 1HB LYS 5 2HB LYS 5 -18.826 4.602 8.462 37 2HB LYS 5 1HB LYS 5 -17.489 4.621 9.605 38 1HG LYS 5 2HG LYS 5 -20.193 5.786 10.218 39 2HG LYS 5 1HG LYS 5 -19.750 4.116 10.574 40 1HD LYS 5 2HD LYS 5 -17.648 5.566 11.614 41 2HD LYS 5 1HD LYS 5 -19.052 6.574 11.971 42 1HE LYS 5 2HE LYS 5 -20.140 4.736 13.093 43 2HE LYS 5 1HE LYS 5 -18.842 3.638 12.627 44 1HZ LYS 5 1HZ LYS 5 -18.995 5.105 14.940 45 2HZ LYS 5 2HZ LYS 5 -17.837 5.914 14.010 46 3HZ LYS 5 3HZ LYS 5 -17.639 4.272 14.362 47 H ALA 6 H ALA 6 -16.650 8.310 7.624 48 HA ALA 6 HA ALA 6 -14.085 7.344 8.672 49 1HB ALA 6 1HB ALA 6 -14.507 8.253 5.832 50 2HB ALA 6 2HB ALA 6 -14.415 6.567 6.340 51 3HB ALA 6 3HB ALA 6 -13.019 7.626 6.541 52 H VAL 7 H VAL 7 -12.383 9.155 7.621 53 HA VAL 7 HA VAL 7 -13.440 11.822 8.152 54 HB VAL 7 HB VAL 7 -11.025 10.780 9.634 55 1HG1 VAL 7 1HG1 VAL 7 -11.572 13.336 8.981 56 2HG1 VAL 7 2HG1 VAL 7 -10.711 12.859 10.445 57 3HG1 VAL 7 3HG1 VAL 7 -12.438 13.210 10.512 58 1HG2 VAL 7 1HG2 VAL 7 -12.549 9.744 10.923 59 2HG2 VAL 7 2HG2 VAL 7 -13.885 10.715 10.305 60 3HG2 VAL 7 3HG2 VAL 7 -12.833 11.361 11.566 61 H ILE 8 H ILE 8 -12.993 11.937 5.822 62 HA ILE 8 HA ILE 8 -10.678 11.533 4.487 63 HB ILE 8 HB ILE 8 -12.824 13.549 4.226 64 1HG1 ILE 8 2HG1 ILE 8 -12.675 12.729 1.840 65 2HG1 ILE 8 1HG1 ILE 8 -11.397 11.642 2.374 66 1HG2 ILE 8 1HG2 ILE 8 -10.745 14.060 2.244 67 2HG2 ILE 8 2HG2 ILE 8 -10.294 14.554 3.876 68 3HG2 ILE 8 3HG2 ILE 8 -11.764 15.190 3.137 69 1HD1 ILE 8 1HD1 ILE 8 -13.318 11.037 4.158 70 2HD1 ILE 8 2HD1 ILE 8 -13.098 10.206 2.617 71 3HD1 ILE 8 3HD1 ILE 8 -14.301 11.489 2.764 72 H LYS 9 H LYS 9 -8.707 12.511 4.232 73 HA LYS 9 HA LYS 9 -8.080 14.724 6.068 74 1HB LYS 9 2HB LYS 9 -6.585 12.143 5.680 75 2HB LYS 9 1HB LYS 9 -5.784 13.585 6.293 76 1HG LYS 9 2HG LYS 9 -8.270 12.508 7.573 77 2HG LYS 9 1HG LYS 9 -6.666 11.898 7.989 78 1HD LYS 9 2HD LYS 9 -6.666 13.554 9.510 79 2HD LYS 9 1HD LYS 9 -6.281 14.590 8.134 80 1HE LYS 9 2HE LYS 9 -8.903 14.636 7.872 81 2HE LYS 9 1HE LYS 9 -8.854 14.235 9.587 82 1HZ LYS 9 1HZ LYS 9 -7.085 16.381 8.848 83 2HZ LYS 9 2HZ LYS 9 -8.199 16.287 10.117 84 3HZ LYS 9 3HZ LYS 9 -8.718 16.730 8.570 85 H ASN 10 H ASN 10 -7.971 13.452 2.954 86 HA ASN 10 HA ASN 10 -6.526 15.766 1.995 87 1HB ASN 10 2HB ASN 10 -4.944 13.650 2.502 88 2HB ASN 10 1HB ASN 10 -5.476 13.222 0.879 89 1HD2 ASN 10 1HD2 ASN 10 -3.609 13.558 -0.194 90 2HD2 ASN 10 2HD2 ASN 10 -2.833 15.095 -0.335 91 H ALA 11 H ALA 11 -6.759 12.757 0.241 92 HA ALA 11 HA ALA 11 -8.149 12.034 -1.420 93 1HB ALA 11 1HB ALA 11 -9.880 13.364 0.154 94 2HB ALA 11 2HB ALA 11 -10.331 12.587 -1.364 95 3HB ALA 11 3HB ALA 11 -10.002 14.319 -1.323 96 H ASP 12 H ASP 12 -9.323 13.095 -3.481 97 HA ASP 12 HA ASP 12 -8.640 15.387 -4.706 98 1HB ASP 12 2HB ASP 12 -6.235 14.223 -4.114 99 2HB ASP 12 1HB ASP 12 -6.503 13.652 -5.758 100 H MET 13 H MET 13 -10.277 12.909 -4.621 101 HA MET 13 HA MET 13 -10.350 12.302 -7.503 102 1HB MET 13 2HB MET 13 -9.956 10.248 -6.447 103 2HB MET 13 1HB MET 13 -10.988 10.645 -5.079 104 1HG MET 13 2HG MET 13 -12.939 10.186 -6.254 105 2HG MET 13 1HG MET 13 -12.139 10.311 -7.820 106 1HE MET 13 1HE MET 13 -11.034 8.825 -4.654 107 2HE MET 13 2HE MET 13 -10.416 7.241 -5.118 108 3HE MET 13 3HE MET 13 -12.088 7.413 -4.585 109 H SER 14 H SER 14 -12.558 11.800 -8.335 110 HA SER 14 HA SER 14 -14.290 13.902 -8.152 111 1HB SER 14 2HB SER 14 -15.003 11.008 -8.690 112 2HB SER 14 1HB SER 14 -16.043 12.385 -9.049 113 HG SER 14 HG SER 14 -15.011 12.158 -10.908 114 H GLU 15 H GLU 15 -15.886 14.572 -6.817 115 HA GLU 15 HA GLU 15 -15.988 14.011 -4.174 116 1HB GLU 15 2HB GLU 15 -18.022 15.039 -6.092 117 2HB GLU 15 1HB GLU 15 -18.561 14.625 -4.469 118 1HG GLU 15 2HG GLU 15 -16.141 16.307 -4.691 119 2HG GLU 15 1HG GLU 15 -17.679 17.045 -5.134 120 H GLU 16 H GLU 16 -18.691 12.858 -6.177 121 HA GLU 16 HA GLU 16 -19.707 10.990 -4.480 122 1HB GLU 16 2HB GLU 16 -20.710 11.627 -6.655 123 2HB GLU 16 1HB GLU 16 -19.494 10.662 -7.479 124 1HG GLU 16 2HG GLU 16 -20.377 8.706 -6.086 125 2HG GLU 16 1HG GLU 16 -21.761 9.744 -5.752 126 H MET 17 H MET 17 -16.726 10.824 -6.184 127 HA MET 17 HA MET 17 -16.434 7.967 -5.996 128 1HB MET 17 2HB MET 17 -14.583 10.207 -6.781 129 2HB MET 17 1HB MET 17 -14.012 8.551 -6.622 130 1HG MET 17 2HG MET 17 -16.350 8.498 -8.212 131 2HG MET 17 1HG MET 17 -15.315 9.790 -8.819 132 1HE MET 17 1HE MET 17 -13.750 5.488 -8.258 133 2HE MET 17 2HE MET 17 -15.358 5.993 -7.739 134 3HE MET 17 3HE MET 17 -13.927 6.657 -6.951 135 H GLN 18 H GLN 18 -15.280 10.789 -4.204 136 HA GLN 18 HA GLN 18 -13.549 9.352 -2.477 137 1HB GLN 18 2HB GLN 18 -14.514 11.654 -1.126 138 2HB GLN 18 1HB GLN 18 -12.962 11.429 -1.920 139 1HG GLN 18 2HG GLN 18 -14.602 11.947 -4.034 140 2HG GLN 18 1HG GLN 18 -15.306 12.947 -2.765 141 1HE2 GLN 18 1HE2 GLN 18 -11.928 12.055 -3.219 142 2HE2 GLN 18 2HE2 GLN 18 -11.348 13.663 -3.468 143 H GLN 19 H GLN 19 -16.975 10.019 -2.455 144 HA GLN 19 HA GLN 19 -17.341 9.197 0.279 145 1HB GLN 19 2HB GLN 19 -19.088 10.573 -0.172 146 2HB GLN 19 1HB GLN 19 -19.012 10.265 -1.899 147 1HG GLN 19 2HG GLN 19 -20.835 9.038 -1.735 148 2HG GLN 19 1HG GLN 19 -19.964 7.905 -0.702 149 1HE2 GLN 19 1HE2 GLN 19 -20.850 11.249 -0.030 150 2HE2 GLN 19 2HE2 GLN 19 -21.875 10.899 1.316 151 H ASP 20 H ASP 20 -17.922 7.851 -2.937 152 HA ASP 20 HA ASP 20 -18.922 5.365 -2.010 153 1HB ASP 20 2HB ASP 20 -17.810 6.293 -4.652 154 2HB ASP 20 1HB ASP 20 -18.267 4.613 -4.388 155 H SER 21 H SER 21 -15.774 6.697 -2.576 156 HA SER 21 HA SER 21 -14.298 4.282 -2.623 157 1HB SER 21 2HB SER 21 -12.855 5.881 -3.316 158 2HB SER 21 1HB SER 21 -13.712 7.156 -2.450 159 HG SER 21 HG SER 21 -12.458 5.437 -0.760 160 H VAL 22 H VAL 22 -14.971 6.629 -0.037 161 HA VAL 22 HA VAL 22 -13.658 5.298 2.034 162 HB VAL 22 HB VAL 22 -16.170 6.967 2.242 163 1HG1 VAL 22 1HG1 VAL 22 -14.110 6.183 4.298 164 2HG1 VAL 22 2HG1 VAL 22 -15.809 5.710 4.261 165 3HG1 VAL 22 3HG1 VAL 22 -15.368 7.393 4.550 166 1HG2 VAL 22 1HG2 VAL 22 -14.847 8.608 1.485 167 2HG2 VAL 22 2HG2 VAL 22 -13.385 7.644 1.694 168 3HG2 VAL 22 3HG2 VAL 22 -14.065 8.524 3.063 169 H GLU 23 H GLU 23 -16.933 4.939 0.766 170 HA GLU 23 HA GLU 23 -17.872 3.138 2.724 171 1HB GLU 23 2HB GLU 23 -18.703 3.540 -0.156 172 2HB GLU 23 1HB GLU 23 -19.567 2.513 0.981 173 1HG GLU 23 2HG GLU 23 -19.385 4.877 2.346 174 2HG GLU 23 1HG GLU 23 -19.585 5.411 0.680 175 H CYS 24 H CYS 24 -16.041 2.722 -0.239 176 HA CYS 24 HA CYS 24 -16.245 -0.129 -0.304 177 1HB CYS 24 2HB CYS 24 -15.172 1.898 -1.969 178 2HB CYS 24 1HB CYS 24 -13.844 0.813 -1.577 179 HG CYS 24 HG CYS 24 -14.758 -0.462 -3.474 180 H ALA 25 H ALA 25 -14.085 2.207 1.145 181 HA ALA 25 HA ALA 25 -12.103 0.299 1.955 182 1HB ALA 25 1HB ALA 25 -10.990 2.076 2.920 183 2HB ALA 25 2HB ALA 25 -12.481 2.905 3.366 184 3HB ALA 25 3HB ALA 25 -11.935 2.912 1.688 185 H THR 26 H THR 26 -15.005 1.719 3.211 186 HA THR 26 HA THR 26 -14.776 0.713 5.866 187 HB THR 26 HB THR 26 -17.121 1.732 4.263 188 HG1 THR 26 1HG THR 26 -15.421 3.213 4.929 189 1HG2 THR 26 1HG2 THR 26 -17.174 0.294 6.711 190 2HG2 THR 26 2HG2 THR 26 -18.507 1.020 5.812 191 3HG2 THR 26 3HG2 THR 26 -17.628 1.971 7.009 192 H GLN 27 H GLN 27 -16.315 -0.347 2.879 193 HA GLN 27 HA GLN 27 -17.746 -2.531 3.850 194 1HB GLN 27 2HB GLN 27 -17.968 -3.220 1.637 195 2HB GLN 27 1HB GLN 27 -17.669 -1.496 1.464 196 1HG GLN 27 2HG GLN 27 -15.878 -1.876 0.231 197 2HG GLN 27 1HG GLN 27 -15.183 -2.911 1.477 198 1HE2 GLN 27 1HE2 GLN 27 -16.642 -2.772 -1.580 199 2HE2 GLN 27 2HE2 GLN 27 -16.735 -4.470 -1.881 200 H ALA 28 H ALA 28 -14.398 -2.223 2.795 201 HA ALA 28 HA ALA 28 -13.743 -4.974 3.300 202 1HB ALA 28 1HB ALA 28 -11.476 -4.345 2.810 203 2HB ALA 28 2HB ALA 28 -11.860 -2.635 3.009 204 3HB ALA 28 3HB ALA 28 -12.537 -3.538 1.654 205 H LEU 29 H LEU 29 -13.954 -2.077 5.127 206 HA LEU 29 HA LEU 29 -12.200 -2.821 7.248 207 1HB LEU 29 2HB LEU 29 -14.289 -0.716 6.877 208 2HB LEU 29 1HB LEU 29 -13.586 -0.995 8.460 209 HG LEU 29 HG LEU 29 -11.664 -0.661 6.243 210 1HD1 LEU 29 1HD1 LEU 29 -12.352 1.935 7.175 211 2HD1 LEU 29 2HD1 LEU 29 -13.794 1.164 6.516 212 3HD1 LEU 29 3HD1 LEU 29 -12.344 1.313 5.524 213 1HD2 LEU 29 1HD2 LEU 29 -11.898 0.294 9.086 214 2HD2 LEU 29 2HD2 LEU 29 -10.579 0.750 8.008 215 3HD2 LEU 29 3HD2 LEU 29 -10.817 -0.942 8.443 216 H GLU 30 H GLU 30 -15.662 -3.109 6.652 217 HA GLU 30 HA GLU 30 -16.145 -4.261 9.268 218 1HB GLU 30 2HB GLU 30 -17.739 -3.069 7.189 219 2HB GLU 30 1HB GLU 30 -18.402 -4.639 7.619 220 1HG GLU 30 2HG GLU 30 -18.013 -3.671 10.071 221 2HG GLU 30 1HG GLU 30 -18.225 -2.152 9.203 222 H LYS 31 H LYS 31 -15.508 -5.326 6.038 223 HA LYS 31 HA LYS 31 -16.476 -8.014 6.496 224 1HB LYS 31 2HB LYS 31 -15.297 -6.522 4.213 225 2HB LYS 31 1HB LYS 31 -15.080 -8.267 4.226 226 1HG LYS 31 2HG LYS 31 -17.129 -8.546 3.447 227 2HG LYS 31 1HG LYS 31 -17.796 -7.697 4.842 228 1HD LYS 31 2HD LYS 31 -17.455 -5.559 3.703 229 2HD LYS 31 1HD LYS 31 -16.786 -6.407 2.308 230 1HE LYS 31 2HE LYS 31 -19.543 -6.973 3.361 231 2HE LYS 31 1HE LYS 31 -19.231 -5.701 2.181 232 1HZ LYS 31 1HZ LYS 31 -19.497 -8.478 1.760 233 2HZ LYS 31 2HZ LYS 31 -17.961 -7.983 1.252 234 3HZ LYS 31 3HZ LYS 31 -19.342 -7.243 0.615 235 H TYR 32 H TYR 32 -13.422 -6.295 6.467 236 HA TYR 32 HA TYR 32 -12.177 -8.509 7.870 237 1HB TYR 32 2HB TYR 32 -10.325 -7.570 5.854 238 2HB TYR 32 1HB TYR 32 -10.804 -9.215 6.251 239 HD1 TYR 32 1HD TYR 32 -11.466 -10.390 4.396 240 HD2 TYR 32 2HD TYR 32 -12.528 -6.285 4.681 241 HE1 TYR 32 1HE TYR 32 -12.658 -10.555 2.253 242 HE2 TYR 32 2HE TYR 32 -13.725 -6.434 2.541 243 HH TYR 32 HH TYR 32 -13.469 -8.085 0.401 244 H ASN 33 H ASN 33 -10.312 -7.917 9.033 245 HA ASN 33 HA ASN 33 -9.766 -5.026 9.135 246 1HB ASN 33 2HB ASN 33 -11.151 -5.591 11.050 247 2HB ASN 33 1HB ASN 33 -10.076 -6.918 11.476 248 1HD2 ASN 33 1HD2 ASN 33 -8.821 -3.913 10.294 249 2HD2 ASN 33 2HD2 ASN 33 -8.165 -3.361 11.794 250 H ILE 34 H ILE 34 -8.221 -6.586 7.580 251 HA ILE 34 HA ILE 34 -5.788 -7.042 9.180 252 HB ILE 34 HB ILE 34 -6.454 -8.265 6.505 253 1HG1 ILE 34 2HG1 ILE 34 -7.932 -9.183 8.179 254 2HG1 ILE 34 1HG1 ILE 34 -6.696 -10.378 7.795 255 1HG2 ILE 34 1HG2 ILE 34 -4.442 -9.366 6.578 256 2HG2 ILE 34 2HG2 ILE 34 -4.325 -9.258 8.334 257 3HG2 ILE 34 3HG2 ILE 34 -4.008 -7.836 7.340 258 1HD1 ILE 34 1HD1 ILE 34 -7.198 -10.211 10.197 259 2HD1 ILE 34 2HD1 ILE 34 -6.617 -8.546 10.172 260 3HD1 ILE 34 3HD1 ILE 34 -5.510 -9.871 9.813 261 H GLU 35 H GLU 35 -6.392 -4.460 8.389 262 HA GLU 35 HA GLU 35 -5.767 -2.716 7.001 263 1HB GLU 35 2HB GLU 35 -3.381 -4.099 8.094 264 2HB GLU 35 1HB GLU 35 -3.086 -2.900 6.842 265 1HG GLU 35 2HG GLU 35 -2.951 -1.569 8.671 266 2HG GLU 35 1HG GLU 35 -4.680 -1.442 8.353 267 H LYS 36 H LYS 36 -3.138 -4.794 5.919 268 HA LYS 36 HA LYS 36 -3.161 -4.130 3.284 269 1HB LYS 36 2HB LYS 36 -2.670 -6.938 3.376 270 2HB LYS 36 1HB LYS 36 -1.508 -5.627 3.234 271 1HG LYS 36 2HG LYS 36 -2.533 -6.113 5.946 272 2HG LYS 36 1HG LYS 36 -1.548 -7.405 5.255 273 1HD LYS 36 2HD LYS 36 0.132 -5.589 4.662 274 2HD LYS 36 1HD LYS 36 -0.798 -4.530 5.724 275 1HE LYS 36 2HE LYS 36 -0.097 -5.578 7.605 276 2HE LYS 36 1HE LYS 36 -0.047 -7.162 6.832 277 1HZ LYS 36 1HZ LYS 36 2.028 -5.138 7.051 278 2HZ LYS 36 2HZ LYS 36 1.948 -5.955 5.572 279 3HZ LYS 36 3HZ LYS 36 2.159 -6.825 7.007 280 H ASP 37 H ASP 37 -4.923 -6.890 4.691 281 HA ASP 37 HA ASP 37 -6.189 -7.881 2.482 282 1HB ASP 37 2HB ASP 37 -6.351 -8.510 5.044 283 2HB ASP 37 1HB ASP 37 -7.811 -7.527 4.972 284 H ILE 38 H ILE 38 -7.654 -5.458 4.652 285 HA ILE 38 HA ILE 38 -9.889 -4.819 3.231 286 HB ILE 38 HB ILE 38 -8.108 -2.855 4.680 287 1HG1 ILE 38 2HG1 ILE 38 -10.523 -3.706 6.047 288 2HG1 ILE 38 1HG1 ILE 38 -9.487 -5.078 5.665 289 1HG2 ILE 38 1HG2 ILE 38 -9.862 -1.905 3.122 290 2HG2 ILE 38 2HG2 ILE 38 -9.949 -1.385 4.804 291 3HG2 ILE 38 3HG2 ILE 38 -11.065 -2.609 4.201 292 1HD1 ILE 38 1HD1 ILE 38 -8.035 -2.814 6.777 293 2HD1 ILE 38 2HD1 ILE 38 -7.999 -4.519 7.221 294 3HD1 ILE 38 3HD1 ILE 38 -9.263 -3.468 7.859 295 H ALA 39 H ALA 39 -6.779 -3.090 2.921 296 HA ALA 39 HA ALA 39 -7.417 -1.401 0.853 297 1HB ALA 39 1HB ALA 39 -5.169 -1.871 2.229 298 2HB ALA 39 2HB ALA 39 -5.207 -0.933 0.736 299 3HB ALA 39 3HB ALA 39 -4.736 -2.632 0.698 300 H ALA 40 H ALA 40 -5.968 -4.645 0.514 301 HA ALA 40 HA ALA 40 -5.776 -4.889 -2.177 302 1HB ALA 40 1HB ALA 40 -6.040 -7.263 -1.930 303 2HB ALA 40 2HB ALA 40 -6.898 -7.053 -0.404 304 3HB ALA 40 3HB ALA 40 -5.187 -6.641 -0.518 305 H HIS 41 H HIS 41 -8.727 -5.685 -0.330 306 HA HIS 41 HA HIS 41 -10.343 -6.202 -2.563 307 1HB HIS 41 2HB HIS 41 -11.683 -5.034 -0.204 308 2HB HIS 41 1HB HIS 41 -12.013 -6.536 -1.061 309 HD1 HIS 41 1HD HIS 41 -11.452 -5.805 2.156 310 HD2 HIS 41 2HD HIS 41 -9.219 -8.110 -0.482 311 HE1 HIS 41 1HE HIS 41 -10.090 -7.347 3.599 312 HE2 HIS 41 2HE HIS 41 -8.826 -8.804 1.978 313 H ILE 42 H ILE 42 -10.011 -3.251 -0.607 314 HA ILE 42 HA ILE 42 -11.833 -1.616 -1.829 315 HB ILE 42 HB ILE 42 -9.069 -0.785 -0.937 316 1HG1 ILE 42 2HG1 ILE 42 -11.670 -0.879 0.605 317 2HG1 ILE 42 1HG1 ILE 42 -10.338 -2.014 0.796 318 1HG2 ILE 42 1HG2 ILE 42 -11.587 0.760 -1.484 319 2HG2 ILE 42 2HG2 ILE 42 -9.980 1.002 -2.170 320 3HG2 ILE 42 3HG2 ILE 42 -10.285 1.395 -0.478 321 1HD1 ILE 42 1HD1 ILE 42 -8.901 -0.186 1.549 322 2HD1 ILE 42 2HD1 ILE 42 -10.333 -0.360 2.563 323 3HD1 ILE 42 3HD1 ILE 42 -10.248 0.938 1.372 324 H LYS 43 H LYS 43 -8.370 -1.451 -2.670 325 HA LYS 43 HA LYS 43 -8.616 -0.004 -4.994 326 1HB LYS 43 2HB LYS 43 -6.446 -0.392 -4.073 327 2HB LYS 43 1HB LYS 43 -6.613 -2.134 -4.252 328 1HG LYS 43 2HG LYS 43 -6.695 -0.359 -6.653 329 2HG LYS 43 1HG LYS 43 -5.153 -0.816 -5.927 330 1HD LYS 43 2HD LYS 43 -6.164 -3.232 -6.056 331 2HD LYS 43 1HD LYS 43 -7.187 -2.514 -7.302 332 1HE LYS 43 2HE LYS 43 -5.535 -2.678 -8.774 333 2HE LYS 43 1HE LYS 43 -4.503 -1.681 -7.750 334 1HZ LYS 43 1HZ LYS 43 -4.716 -4.372 -6.801 335 2HZ LYS 43 2HZ LYS 43 -3.335 -3.450 -7.122 336 3HZ LYS 43 3HZ LYS 43 -4.093 -4.301 -8.373 337 H LYS 44 H LYS 44 -8.067 -3.529 -4.979 338 HA LYS 44 HA LYS 44 -8.434 -4.225 -7.514 339 1HB LYS 44 2HB LYS 44 -8.145 -5.946 -5.901 340 2HB LYS 44 1HB LYS 44 -9.648 -5.532 -5.088 341 1HG LYS 44 2HG LYS 44 -9.719 -6.432 -7.928 342 2HG LYS 44 1HG LYS 44 -9.517 -7.618 -6.636 343 1HD LYS 44 2HD LYS 44 -11.637 -5.663 -6.139 344 2HD LYS 44 1HD LYS 44 -11.915 -6.676 -7.557 345 1HE LYS 44 2HE LYS 44 -12.299 -8.499 -6.315 346 2HE LYS 44 1HE LYS 44 -10.946 -8.158 -5.236 347 1HZ LYS 44 1HZ LYS 44 -13.524 -7.998 -4.528 348 2HZ LYS 44 2HZ LYS 44 -13.213 -6.387 -4.940 349 3HZ LYS 44 3HZ LYS 44 -12.276 -7.152 -3.759 350 H GLU 45 H GLU 45 -11.237 -3.904 -5.345 351 HA GLU 45 HA GLU 45 -13.222 -4.158 -7.270 352 1HB GLU 45 2HB GLU 45 -13.474 -4.085 -4.729 353 2HB GLU 45 1HB GLU 45 -13.450 -2.333 -4.879 354 1HG GLU 45 2HG GLU 45 -15.708 -2.860 -4.817 355 2HG GLU 45 1HG GLU 45 -15.376 -2.632 -6.533 356 H PHE 46 H PHE 46 -11.855 -1.140 -5.948 357 HA PHE 46 HA PHE 46 -13.229 0.665 -7.524 358 1HB PHE 46 2HB PHE 46 -10.868 0.696 -5.855 359 2HB PHE 46 1HB PHE 46 -10.641 1.723 -7.267 360 HD1 PHE 46 1HD PHE 46 -11.283 3.913 -7.087 361 HD2 PHE 46 2HD PHE 46 -13.259 0.985 -4.714 362 HE1 PHE 46 1HE PHE 46 -12.608 5.685 -6.011 363 HE2 PHE 46 2HE PHE 46 -14.588 2.751 -3.634 364 HZ PHE 46 HZ PHE 46 -14.264 5.103 -4.282 365 H ASP 47 H ASP 47 -10.489 -1.345 -8.326 366 HA ASP 47 HA ASP 47 -9.822 -0.002 -10.753 367 1HB ASP 47 2HB ASP 47 -9.082 -2.633 -9.518 368 2HB ASP 47 1HB ASP 47 -8.660 -2.302 -11.195 369 H LYS 48 H LYS 48 -11.999 -2.597 -9.875 370 HA LYS 48 HA LYS 48 -12.691 -2.968 -12.702 371 1HB LYS 48 2HB LYS 48 -12.769 -4.732 -10.317 372 2HB LYS 48 1HB LYS 48 -14.040 -4.953 -11.510 373 1HG LYS 48 2HG LYS 48 -11.090 -5.032 -12.107 374 2HG LYS 48 1HG LYS 48 -12.115 -6.447 -11.857 375 1HD LYS 48 2HD LYS 48 -12.620 -4.367 -13.980 376 2HD LYS 48 1HD LYS 48 -11.702 -5.848 -14.259 377 1HE LYS 48 2HE LYS 48 -14.566 -5.700 -13.321 378 2HE LYS 48 1HE LYS 48 -14.041 -6.074 -14.962 379 1HZ LYS 48 1HZ LYS 48 -14.248 -7.794 -12.713 380 2HZ LYS 48 2HZ LYS 48 -12.676 -7.823 -13.336 381 3HZ LYS 48 3HZ LYS 48 -13.990 -8.186 -14.338 382 H LYS 49 H LYS 49 -13.650 -1.072 -10.285 383 HA LYS 49 HA LYS 49 -16.477 -1.226 -11.078 384 1HB LYS 49 2HB LYS 49 -15.747 -1.838 -8.616 385 2HB LYS 49 1HB LYS 49 -15.711 -0.091 -8.423 386 1HG LYS 49 2HG LYS 49 -18.038 0.060 -9.078 387 2HG LYS 49 1HG LYS 49 -18.088 -1.679 -9.371 388 1HD LYS 49 2HD LYS 49 -18.530 -2.069 -7.227 389 2HD LYS 49 1HD LYS 49 -17.091 -1.177 -6.732 390 1HE LYS 49 2HE LYS 49 -19.218 -0.296 -5.778 391 2HE LYS 49 1HE LYS 49 -18.298 0.888 -6.706 392 1HZ LYS 49 1HZ LYS 49 -19.780 0.685 -8.516 393 2HZ LYS 49 2HZ LYS 49 -20.747 0.844 -7.138 394 3HZ LYS 49 3HZ LYS 49 -20.540 -0.674 -7.855 395 H TYR 50 H TYR 50 -13.942 0.428 -11.815 396 HA TYR 50 HA TYR 50 -15.384 2.875 -12.265 397 1HB TYR 50 2HB TYR 50 -12.875 3.001 -10.581 398 2HB TYR 50 1HB TYR 50 -13.859 4.363 -11.108 399 HD1 TYR 50 1HD TYR 50 -13.539 1.633 -8.719 400 HD2 TYR 50 2HD TYR 50 -16.053 4.777 -10.089 401 HE1 TYR 50 1HE TYR 50 -14.871 1.456 -6.660 402 HE2 TYR 50 2HE TYR 50 -17.394 4.610 -8.035 403 HH TYR 50 HH TYR 50 -16.806 2.073 -5.657 404 H ASN 51 H ASN 51 -11.951 1.956 -12.020 405 HA ASN 51 HA ASN 51 -11.299 1.410 -14.581 406 1HB ASN 51 2HB ASN 51 -12.043 3.304 -15.650 407 2HB ASN 51 1HB ASN 51 -11.796 4.327 -14.238 408 1HD2 ASN 51 1HD2 ASN 51 -9.555 2.172 -15.923 409 2HD2 ASN 51 2HD2 ASN 51 -8.409 3.398 -16.333 410 HA PRO 52 HA PRO 52 -7.624 1.178 -11.995 411 1HB PRO 52 2HB PRO 52 -6.124 -0.226 -13.799 412 2HB PRO 52 1HB PRO 52 -7.315 -0.969 -12.726 413 1HG PRO 52 2HG PRO 52 -7.588 -0.179 -15.601 414 2HG PRO 52 1HG PRO 52 -8.147 -1.654 -14.788 415 1HD PRO 52 2HD PRO 52 -9.818 0.376 -15.357 416 2HD PRO 52 1HD PRO 52 -10.002 -0.602 -13.887 417 H THR 53 H THR 53 -4.874 3.021 -13.418 418 HA THR 53 HA THR 53 -5.688 0.647 -11.909 419 HB THR 53 HB THR 53 -3.477 0.810 -13.271 420 HG1 THR 53 1HG THR 53 -2.749 -0.024 -10.784 421 1HG2 THR 53 1HG2 THR 53 -2.970 2.996 -11.799 422 2HG2 THR 53 2HG2 THR 53 -1.721 1.967 -12.501 423 3HG2 THR 53 3HG2 THR 53 -2.188 1.763 -10.812 424 H TRP 54 H TRP 54 -6.144 0.781 -9.817 425 HA TRP 54 HA TRP 54 -5.841 3.372 -8.526 426 1HB TRP 54 2HB TRP 54 -7.376 0.915 -7.673 427 2HB TRP 54 1HB TRP 54 -7.387 2.463 -6.833 428 HD1 TRP 54 HD TRP 54 -8.443 0.942 -10.223 429 HE1 TRP 54 1HE TRP 54 -10.380 2.349 -11.159 430 HE3 TRP 54 3HE TRP 54 -8.550 4.627 -6.686 431 HZ2 TRP 54 2HZ TRP 54 -11.786 4.708 -10.478 432 HZ3 TRP 54 3HZ TRP 54 -10.215 6.421 -6.904 433 HH2 TRP 54 HH TRP 54 -11.801 6.463 -8.754 434 H HIS 55 H HIS 55 -5.001 3.643 -6.476 435 HA HIS 55 HA HIS 55 -3.333 1.495 -5.383 436 1HB HIS 55 2HB HIS 55 -2.230 4.269 -5.369 437 2HB HIS 55 1HB HIS 55 -1.380 2.728 -5.376 438 HD1 HIS 55 1HD HIS 55 0.051 2.856 -7.404 439 HD2 HIS 55 2HD HIS 55 -3.847 4.079 -8.164 440 HE1 HIS 55 1HE HIS 55 -0.061 3.241 -9.886 441 HE2 HIS 55 2HE HIS 55 -2.461 3.860 -10.336 442 H CYS 56 H CYS 56 -4.713 1.227 -3.662 443 HA CYS 56 HA CYS 56 -5.132 3.585 -1.951 444 1HB CYS 56 2HB CYS 56 -7.209 2.734 -1.284 445 2HB CYS 56 1HB CYS 56 -7.143 2.412 -3.014 446 HG CYS 56 HG CYS 56 -6.322 -0.099 -2.096 447 H ILE 57 H ILE 57 -5.131 3.319 0.297 448 HA ILE 57 HA ILE 57 -3.675 0.958 1.292 449 HB ILE 57 HB ILE 57 -3.280 3.739 2.386 450 1HG1 ILE 57 2HG1 ILE 57 -2.511 3.830 0.103 451 2HG1 ILE 57 1HG1 ILE 57 -1.101 3.727 1.153 452 1HG2 ILE 57 1HG2 ILE 57 -1.978 1.080 2.804 453 2HG2 ILE 57 2HG2 ILE 57 -2.593 2.226 3.996 454 3HG2 ILE 57 3HG2 ILE 57 -1.097 2.574 3.130 455 1HD1 ILE 57 1HD1 ILE 57 -0.546 1.647 0.429 456 2HD1 ILE 57 2HD1 ILE 57 -1.325 2.272 -1.025 457 3HD1 ILE 57 3HD1 ILE 57 -2.213 1.206 0.063 458 H VAL 58 H VAL 58 -3.824 0.987 3.843 459 HA VAL 58 HA VAL 58 -6.100 2.194 5.023 460 HB VAL 58 HB VAL 58 -7.334 0.609 3.645 461 1HG1 VAL 58 1HG1 VAL 58 -5.352 -1.040 3.670 462 2HG1 VAL 58 2HG1 VAL 58 -6.994 -1.684 3.637 463 3HG1 VAL 58 3HG1 VAL 58 -6.089 -1.655 5.151 464 1HG2 VAL 58 1HG2 VAL 58 -7.881 -0.813 6.052 465 2HG2 VAL 58 2HG2 VAL 58 -8.794 0.504 5.315 466 3HG2 VAL 58 3HG2 VAL 58 -7.501 0.860 6.460 467 H GLY 59 H GLY 59 -5.238 2.561 6.941 468 1HA GLY 59 2HA GLY 59 -4.456 0.312 8.600 469 2HA GLY 59 1HA GLY 59 -3.181 1.475 8.260 470 H ARG 60 H ARG 60 -2.908 2.501 10.172 471 HA ARG 60 HA ARG 60 -4.801 4.398 11.019 472 1HB ARG 60 2HB ARG 60 -5.177 3.364 13.299 473 2HB ARG 60 1HB ARG 60 -6.046 2.637 11.954 474 1HG ARG 60 2HG ARG 60 -4.092 0.978 11.858 475 2HG ARG 60 1HG ARG 60 -3.703 1.567 13.475 476 1HD ARG 60 2HD ARG 60 -6.300 1.116 13.831 477 2HD ARG 60 1HD ARG 60 -6.013 -0.043 12.533 478 HE ARG 60 HE ARG 60 -4.090 -0.773 14.130 479 1HH1 ARG 60 1HH1 ARG 60 -7.290 0.270 15.027 480 2HH1 ARG 60 2HH1 ARG 60 -7.342 -0.692 16.466 481 1HH2 ARG 60 1HH2 ARG 60 -4.152 -2.051 16.022 482 2HH2 ARG 60 2HH2 ARG 60 -5.559 -2.011 17.032 483 H ASN 61 H ASN 61 -1.790 2.913 11.087 484 HA ASN 61 HA ASN 61 -0.696 5.104 12.657 485 1HB ASN 61 2HB ASN 61 0.749 3.450 13.946 486 2HB ASN 61 1HB ASN 61 -0.948 3.530 14.415 487 1HD2 ASN 61 1HD2 ASN 61 -0.606 2.068 11.433 488 2HD2 ASN 61 2HD2 ASN 61 -0.665 0.417 11.940 489 H PHE 62 H PHE 62 -0.521 4.766 9.934 490 HA PHE 62 HA PHE 62 2.287 3.952 9.578 491 1HB PHE 62 2HB PHE 62 1.776 3.333 7.292 492 2HB PHE 62 1HB PHE 62 0.676 2.489 8.378 493 HD1 PHE 62 1HD PHE 62 -1.564 3.868 8.866 494 HD2 PHE 62 2HD PHE 62 0.872 4.243 5.398 495 HE1 PHE 62 1HE PHE 62 -3.486 4.764 7.617 496 HE2 PHE 62 2HE PHE 62 -1.045 5.139 4.143 497 HZ PHE 62 HZ PHE 62 -3.226 5.402 5.253 498 H GLY 63 H GLY 63 3.374 5.097 7.734 499 1HA GLY 63 2HA GLY 63 2.546 7.932 7.719 500 2HA GLY 63 1HA GLY 63 4.217 7.390 7.639 501 H SER 64 H SER 64 1.204 7.673 5.883 502 HA SER 64 HA SER 64 2.344 6.685 3.429 503 1HB SER 64 2HB SER 64 0.082 7.618 2.515 504 2HB SER 64 1HB SER 64 0.081 6.187 3.546 505 HG SER 64 HG SER 64 -1.068 7.259 4.926 506 H TYR 65 H TYR 65 3.580 7.816 2.133 507 HA TYR 65 HA TYR 65 3.109 10.703 1.839 508 1HB TYR 65 2HB TYR 65 5.175 9.945 3.281 509 2HB TYR 65 1HB TYR 65 5.898 9.618 1.712 510 HD1 TYR 65 1HD TYR 65 6.755 11.371 0.382 511 HD2 TYR 65 2HD TYR 65 4.400 12.280 3.806 512 HE1 TYR 65 1HE TYR 65 7.389 13.737 0.182 513 HE2 TYR 65 2HE TYR 65 5.025 14.649 3.615 514 HH TYR 65 HH TYR 65 6.110 16.064 1.051 515 H VAL 66 H VAL 66 1.911 9.906 -0.049 516 HA VAL 66 HA VAL 66 3.726 9.397 -2.312 517 HB VAL 66 HB VAL 66 2.162 7.936 -3.351 518 1HG1 VAL 66 1HG1 VAL 66 2.923 7.394 -0.550 519 2HG1 VAL 66 2HG1 VAL 66 3.295 6.498 -2.024 520 3HG1 VAL 66 3HG1 VAL 66 1.717 6.318 -1.256 521 1HG2 VAL 66 1HG2 VAL 66 0.223 8.083 -1.090 522 2HG2 VAL 66 2HG2 VAL 66 -0.042 7.641 -2.777 523 3HG2 VAL 66 3HG2 VAL 66 0.190 9.332 -2.335 524 H THR 67 H THR 67 3.359 10.529 -4.163 525 HA THR 67 HA THR 67 1.431 12.717 -3.971 526 HB THR 67 HB THR 67 3.911 13.039 -4.552 527 HG1 THR 67 1HG THR 67 3.382 14.759 -5.863 528 1HG2 THR 67 1HG2 THR 67 2.948 12.217 -7.275 529 2HG2 THR 67 2HG2 THR 67 4.037 11.269 -6.261 530 3HG2 THR 67 3HG2 THR 67 4.537 12.854 -6.852 531 H HIS 68 H HIS 68 -0.466 12.584 -4.960 532 HA HIS 68 HA HIS 68 -1.232 10.438 -6.591 533 1HB HIS 68 2HB HIS 68 -3.304 11.608 -6.923 534 2HB HIS 68 1HB HIS 68 -2.781 11.890 -5.266 535 HD1 HIS 68 1HD HIS 68 -0.643 14.079 -6.806 536 HD2 HIS 68 2HD HIS 68 -4.777 14.087 -6.396 537 HE1 HIS 68 1HE HIS 68 -1.343 16.476 -7.109 538 HE2 HIS 68 2HE HIS 68 -3.847 16.462 -6.823 539 H GLU 69 H GLU 69 -2.624 11.564 -8.731 540 HA GLU 69 HA GLU 69 -0.463 12.643 -10.412 541 1HB GLU 69 2HB GLU 69 -2.521 10.645 -11.349 542 2HB GLU 69 1HB GLU 69 -1.120 11.229 -12.236 543 1HG GLU 69 2HG GLU 69 -0.141 10.143 -9.838 544 2HG GLU 69 1HG GLU 69 -1.339 9.006 -10.454 545 H THR 70 H THR 70 -3.986 12.213 -10.128 546 HA THR 70 HA THR 70 -4.401 14.945 -10.950 547 HB THR 70 HB THR 70 -5.272 12.646 -12.700 548 HG1 THR 70 1HG THR 70 -4.155 13.813 -14.265 549 1HG2 THR 70 1HG2 THR 70 -6.139 15.517 -12.921 550 2HG2 THR 70 2HG2 THR 70 -7.167 14.164 -12.451 551 3HG2 THR 70 3HG2 THR 70 -6.480 14.229 -14.074 552 H LYS 71 H LYS 71 -5.897 11.793 -10.296 553 HA LYS 71 HA LYS 71 -7.631 12.929 -8.325 554 1HB LYS 71 2HB LYS 71 -8.622 12.515 -11.063 555 2HB LYS 71 1HB LYS 71 -9.623 11.797 -9.807 556 1HG LYS 71 2HG LYS 71 -9.979 13.891 -8.766 557 2HG LYS 71 1HG LYS 71 -8.727 14.664 -9.739 558 1HD LYS 71 2HD LYS 71 -10.900 15.281 -10.592 559 2HD LYS 71 1HD LYS 71 -10.090 14.236 -11.760 560 1HE LYS 71 2HE LYS 71 -11.653 12.645 -11.583 561 2HE LYS 71 1HE LYS 71 -11.693 12.762 -9.823 562 1HZ LYS 71 1HZ LYS 71 -13.440 14.144 -9.876 563 2HZ LYS 71 2HZ LYS 71 -13.693 13.521 -11.427 564 3HZ LYS 71 3HZ LYS 71 -12.885 14.994 -11.229 565 H HIS 72 H HIS 72 -9.627 10.906 -8.420 566 HA HIS 72 HA HIS 72 -9.997 8.830 -7.568 567 1HB HIS 72 2HB HIS 72 -7.660 7.538 -8.764 568 2HB HIS 72 1HB HIS 72 -9.372 7.188 -8.980 569 HD1 HIS 72 1HD HIS 72 -6.572 9.224 -10.413 570 HD2 HIS 72 2HD HIS 72 -10.556 8.361 -11.216 571 HE1 HIS 72 1HE HIS 72 -6.998 10.109 -12.729 572 HE2 HIS 72 2HE HIS 72 -9.403 9.536 -13.211 573 H PHE 73 H PHE 73 -7.933 10.716 -6.364 574 HA PHE 73 HA PHE 73 -6.555 8.731 -4.679 575 1HB PHE 73 2HB PHE 73 -4.807 9.898 -5.665 576 2HB PHE 73 1HB PHE 73 -5.711 11.406 -5.724 577 HD1 PHE 73 1HD PHE 73 -4.451 9.032 -3.127 578 HD2 PHE 73 2HD PHE 73 -4.970 13.073 -4.354 579 HE1 PHE 73 1HE PHE 73 -3.306 9.795 -1.087 580 HE2 PHE 73 2HE PHE 73 -3.825 13.844 -2.318 581 HZ PHE 73 HZ PHE 73 -2.992 12.204 -0.680 582 H ILE 74 H ILE 74 -7.895 8.491 -2.969 583 HA ILE 74 HA ILE 74 -8.684 10.944 -1.540 584 HB ILE 74 HB ILE 74 -10.555 9.564 -2.611 585 1HG1 ILE 74 2HG1 ILE 74 -10.425 10.468 0.247 586 2HG1 ILE 74 1HG1 ILE 74 -11.242 11.215 -1.119 587 1HG2 ILE 74 1HG2 ILE 74 -9.738 7.359 -2.022 588 2HG2 ILE 74 2HG2 ILE 74 -11.328 7.632 -1.308 589 3HG2 ILE 74 3HG2 ILE 74 -9.882 7.740 -0.306 590 1HD1 ILE 74 1HD1 ILE 74 -12.514 8.764 -0.777 591 2HD1 ILE 74 2HD1 ILE 74 -13.123 10.358 -0.331 592 3HD1 ILE 74 3HD1 ILE 74 -12.253 9.383 0.854 593 H TYR 75 H TYR 75 -7.660 11.162 0.337 594 HA TYR 75 HA TYR 75 -6.846 8.720 1.771 595 1HB TYR 75 2HB TYR 75 -4.960 10.123 0.935 596 2HB TYR 75 1HB TYR 75 -5.548 11.448 1.935 597 HD1 TYR 75 1HD TYR 75 -5.568 7.908 2.981 598 HD2 TYR 75 2HD TYR 75 -3.607 11.669 3.308 599 HE1 TYR 75 1HE TYR 75 -4.259 7.053 4.878 600 HE2 TYR 75 2HE TYR 75 -2.292 10.824 5.206 601 HH TYR 75 HH TYR 75 -2.938 8.574 7.036 602 H PHE 76 H PHE 76 -8.619 8.465 3.066 603 HA PHE 76 HA PHE 76 -9.233 10.680 4.908 604 1HB PHE 76 2HB PHE 76 -11.439 9.382 5.214 605 2HB PHE 76 1HB PHE 76 -11.213 10.280 3.717 606 HD1 PHE 76 1HD PHE 76 -12.266 7.256 5.060 607 HD2 PHE 76 2HD PHE 76 -10.060 8.847 1.786 608 HE1 PHE 76 1HE PHE 76 -12.703 5.205 3.775 609 HE2 PHE 76 2HE PHE 76 -10.494 6.798 0.495 610 HZ PHE 76 HZ PHE 76 -11.817 4.974 1.490 611 H TYR 77 H TYR 77 -10.450 9.610 6.941 612 HA TYR 77 HA TYR 77 -8.939 7.284 7.881 613 1HB TYR 77 2HB TYR 77 -7.666 9.219 8.654 614 2HB TYR 77 1HB TYR 77 -9.119 9.921 9.356 615 HD1 TYR 77 1HD TYR 77 -10.269 8.605 11.240 616 HD2 TYR 77 2HD TYR 77 -6.304 7.810 9.920 617 HE1 TYR 77 1HE TYR 77 -9.797 7.460 13.365 618 HE2 TYR 77 2HE TYR 77 -5.822 6.663 12.039 619 HH TYR 77 HH TYR 77 -6.701 6.703 14.394 620 H LEU 78 H LEU 78 -10.627 5.922 8.133 621 HA LEU 78 HA LEU 78 -13.225 6.636 8.866 622 1HB LEU 78 2HB LEU 78 -11.754 4.021 9.072 623 2HB LEU 78 1HB LEU 78 -13.450 4.187 9.482 624 HG LEU 78 HG LEU 78 -12.835 3.305 7.145 625 1HD1 LEU 78 1HD1 LEU 78 -15.082 4.123 7.980 626 2HD1 LEU 78 2HD1 LEU 78 -14.826 4.157 6.236 627 3HD1 LEU 78 3HD1 LEU 78 -14.713 5.646 7.173 628 1HD2 LEU 78 1HD2 LEU 78 -11.269 4.732 6.254 629 2HD2 LEU 78 2HD2 LEU 78 -12.028 6.170 6.937 630 3HD2 LEU 78 3HD2 LEU 78 -12.750 5.370 5.540 631 H GLY 79 H GLY 79 -14.319 5.609 10.869 632 1HA GLY 79 2HA GLY 79 -14.022 6.963 13.098 633 2HA GLY 79 1HA GLY 79 -14.362 5.243 13.186 634 H GLN 80 H GLN 80 -11.926 4.178 12.393 635 HA GLN 80 HA GLN 80 -9.886 5.343 14.112 636 1HB GLN 80 2HB GLN 80 -11.548 3.383 15.137 637 2HB GLN 80 1HB GLN 80 -10.132 2.479 14.615 638 1HG GLN 80 2HG GLN 80 -9.283 3.011 16.600 639 2HG GLN 80 1HG GLN 80 -9.007 4.605 15.901 640 1HE2 GLN 80 1HE2 GLN 80 -10.813 6.159 16.128 641 2HE2 GLN 80 2HE2 GLN 80 -11.710 6.143 17.606 642 H VAL 81 H VAL 81 -10.292 4.759 11.227 643 HA VAL 81 HA VAL 81 -7.767 3.331 10.823 644 HB VAL 81 HB VAL 81 -10.322 2.727 9.329 645 1HG1 VAL 81 1HG1 VAL 81 -8.579 0.951 8.342 646 2HG1 VAL 81 2HG1 VAL 81 -7.483 2.303 8.625 647 3HG1 VAL 81 3HG1 VAL 81 -8.892 2.513 7.584 648 1HG2 VAL 81 1HG2 VAL 81 -9.133 1.579 11.623 649 2HG2 VAL 81 2HG2 VAL 81 -8.926 0.435 10.297 650 3HG2 VAL 81 3HG2 VAL 81 -10.539 1.010 10.721 651 H ALA 82 H ALA 82 -6.993 3.609 8.508 652 HA ALA 82 HA ALA 82 -7.870 6.160 7.350 653 1HB ALA 82 1HB ALA 82 -4.966 5.472 7.776 654 2HB ALA 82 2HB ALA 82 -5.894 6.533 8.837 655 3HB ALA 82 3HB ALA 82 -5.631 6.980 7.151 656 H ILE 83 H ILE 83 -8.185 5.991 5.230 657 HA ILE 83 HA ILE 83 -6.899 3.749 3.820 658 HB ILE 83 HB ILE 83 -9.239 4.986 2.535 659 1HG1 ILE 83 2HG1 ILE 83 -9.891 5.026 4.945 660 2HG1 ILE 83 1HG1 ILE 83 -10.884 3.944 3.974 661 1HG2 ILE 83 1HG2 ILE 83 -8.804 2.092 3.172 662 2HG2 ILE 83 2HG2 ILE 83 -7.891 2.889 1.892 663 3HG2 ILE 83 3HG2 ILE 83 -9.651 2.814 1.805 664 1HD1 ILE 83 1HD1 ILE 83 -8.651 2.511 5.043 665 2HD1 ILE 83 2HD1 ILE 83 -10.377 2.239 5.283 666 3HD1 ILE 83 3HD1 ILE 83 -9.506 3.357 6.333 667 H LEU 84 H LEU 84 -5.393 4.288 2.417 668 HA LEU 84 HA LEU 84 -5.316 7.025 1.371 669 1HB LEU 84 2HB LEU 84 -3.298 6.421 2.454 670 2HB LEU 84 1HB LEU 84 -3.240 4.868 1.646 671 HG LEU 84 HG LEU 84 -2.924 6.165 -0.524 672 1HD1 LEU 84 1HD1 LEU 84 -2.902 8.381 -0.514 673 2HD1 LEU 84 2HD1 LEU 84 -1.706 8.417 0.781 674 3HD1 LEU 84 3HD1 LEU 84 -3.424 8.329 1.169 675 1HD2 LEU 84 1HD2 LEU 84 -0.988 5.808 1.685 676 2HD2 LEU 84 2HD2 LEU 84 -0.475 6.809 0.328 677 3HD2 LEU 84 3HD2 LEU 84 -0.984 5.142 0.052 678 H LEU 85 H LEU 85 -7.001 6.600 -0.182 679 HA LEU 85 HA LEU 85 -6.465 4.712 -2.316 680 1HB LEU 85 2HB LEU 85 -8.761 5.911 -1.232 681 2HB LEU 85 1HB LEU 85 -8.622 6.549 -2.859 682 HG LEU 85 HG LEU 85 -8.266 3.964 -3.424 683 1HD1 LEU 85 1HD1 LEU 85 -10.283 3.728 -1.244 684 2HD1 LEU 85 2HD1 LEU 85 -8.567 3.583 -0.860 685 3HD1 LEU 85 3HD1 LEU 85 -9.308 2.479 -2.019 686 1HD2 LEU 85 1HD2 LEU 85 -10.513 5.799 -3.390 687 2HD2 LEU 85 2HD2 LEU 85 -11.021 4.113 -3.290 688 3HD2 LEU 85 3HD2 LEU 85 -10.009 4.652 -4.630 689 H PHE 86 H PHE 86 -5.788 5.193 -4.350 690 HA PHE 86 HA PHE 86 -5.864 7.755 -5.517 691 1HB PHE 86 2HB PHE 86 -3.843 8.714 -5.102 692 2HB PHE 86 1HB PHE 86 -3.968 7.777 -3.620 693 HD1 PHE 86 1HD PHE 86 -2.399 7.954 -6.937 694 HD2 PHE 86 2HD PHE 86 -2.491 5.957 -3.181 695 HE1 PHE 86 1HE PHE 86 -0.277 6.835 -7.486 696 HE2 PHE 86 2HE PHE 86 -0.368 4.835 -3.722 697 HZ PHE 86 HZ PHE 86 0.742 5.275 -5.876 698 H LYS 87 H LYS 87 -5.780 7.502 -7.655 699 HA LYS 87 HA LYS 87 -4.865 4.949 -8.735 700 1HB LYS 87 2HB LYS 87 -6.906 6.810 -9.404 701 2HB LYS 87 1HB LYS 87 -5.803 6.724 -10.768 702 1HG LYS 87 2HG LYS 87 -6.137 4.390 -10.998 703 2HG LYS 87 1HG LYS 87 -7.008 4.303 -9.465 704 1HD LYS 87 2HD LYS 87 -8.751 4.314 -10.965 705 2HD LYS 87 1HD LYS 87 -8.597 6.036 -10.616 706 1HE LYS 87 2HE LYS 87 -7.795 4.509 -13.059 707 2HE LYS 87 1HE LYS 87 -8.729 5.998 -12.929 708 1HZ LYS 87 1HZ LYS 87 -5.851 5.613 -13.000 709 2HZ LYS 87 2HZ LYS 87 -6.404 6.790 -11.918 710 3HZ LYS 87 3HZ LYS 87 -6.786 6.908 -13.562 711 H SER 88 H SER 88 -4.108 5.569 -11.262 712 HA SER 88 HA SER 88 -1.739 7.275 -10.898 713 1HB SER 88 2HB SER 88 -1.893 4.487 -11.559 714 2HB SER 88 1HB SER 88 -1.189 5.372 -12.912 715 HG SER 88 HG SER 88 -0.209 6.148 -10.477 716 H GLY 89 H GLY 89 -4.475 7.627 -12.088 717 1HA GLY 89 2HA GLY 89 -5.286 9.009 -13.756 718 2HA GLY 89 1HA GLY 89 -3.640 9.188 -14.346 719 1H MET 1 1HT MET 1 20.990 -5.290 9.804 720 2H MET 1 2HT MET 1 20.975 -6.445 8.535 721 3H MET 1 3HT MET 1 21.279 -4.792 8.190 722 HA MET 1 HA MET 1 23.022 -6.054 10.106 723 1HB MET 1 2HB MET 1 22.438 -7.250 7.570 724 2HB MET 1 1HB MET 1 24.073 -6.607 7.525 725 1HG MET 1 2HG MET 1 24.464 -8.709 8.314 726 2HG MET 1 1HG MET 1 24.293 -7.822 9.828 727 1HE MET 1 1HE MET 1 22.038 -10.489 7.434 728 2HE MET 1 2HE MET 1 21.859 -8.751 7.186 729 3HE MET 1 3HE MET 1 20.585 -9.662 7.999 730 H CYS 2 H CYS 2 24.343 -4.441 10.614 731 HA CYS 2 HA CYS 2 25.774 -2.677 10.432 732 1HB CYS 2 2HB CYS 2 27.059 -3.330 8.674 733 2HB CYS 2 1HB CYS 2 25.667 -3.708 7.665 734 HG CYS 2 HG CYS 2 26.997 -1.647 6.702 735 H ASP 3 H ASP 3 23.922 -2.101 7.464 736 HA ASP 3 HA ASP 3 22.498 0.087 8.785 737 1HB ASP 3 2HB ASP 3 24.645 0.424 6.900 738 2HB ASP 3 1HB ASP 3 23.147 1.038 6.206 739 H ARG 4 H ARG 4 21.586 -2.482 7.989 740 HA ARG 4 HA ARG 4 19.913 -1.886 5.648 741 1HB ARG 4 2HB ARG 4 20.302 -4.561 6.994 742 2HB ARG 4 1HB ARG 4 19.552 -4.253 5.435 743 1HG ARG 4 2HG ARG 4 22.228 -3.199 5.495 744 2HG ARG 4 1HG ARG 4 22.212 -4.907 5.937 745 1HD ARG 4 2HD ARG 4 20.499 -4.243 3.658 746 2HD ARG 4 1HD ARG 4 22.214 -3.939 3.383 747 HE ARG 4 HE ARG 4 21.004 -6.540 4.014 748 1HH1 ARG 4 1HH1 ARG 4 23.714 -4.626 2.955 749 2HH1 ARG 4 2HH1 ARG 4 24.633 -5.992 2.416 750 1HH2 ARG 4 1HH2 ARG 4 22.204 -8.344 3.307 751 2HH2 ARG 4 2HH2 ARG 4 23.773 -8.107 2.614 752 H LYS 5 H LYS 5 19.160 -4.233 8.139 753 HA LYS 5 HA LYS 5 17.501 -4.327 9.714 754 1HB LYS 5 2HB LYS 5 18.159 -1.801 9.951 755 2HB LYS 5 1HB LYS 5 16.643 -1.522 9.107 756 1HG LYS 5 2HG LYS 5 15.370 -2.275 10.857 757 2HG LYS 5 1HG LYS 5 16.658 -3.301 11.493 758 1HD LYS 5 2HD LYS 5 17.890 -1.110 11.999 759 2HD LYS 5 1HD LYS 5 16.331 -0.324 11.737 760 1HE LYS 5 2HE LYS 5 15.353 -1.387 13.567 761 2HE LYS 5 1HE LYS 5 16.590 -2.642 13.617 762 1HZ LYS 5 1HZ LYS 5 17.695 -0.038 13.990 763 2HZ LYS 5 2HZ LYS 5 17.840 -1.414 14.961 764 3HZ LYS 5 3HZ LYS 5 16.513 -0.381 15.150 765 H ALA 6 H ALA 6 14.966 -2.874 9.489 766 HA ALA 6 HA ALA 6 12.904 -3.264 8.603 767 1HB ALA 6 1HB ALA 6 12.776 -3.083 6.105 768 2HB ALA 6 2HB ALA 6 14.538 -2.999 6.091 769 3HB ALA 6 3HB ALA 6 13.602 -1.748 6.909 770 H VAL 7 H VAL 7 11.676 -4.701 6.930 771 HA VAL 7 HA VAL 7 12.919 -7.307 6.570 772 HB VAL 7 HB VAL 7 10.365 -6.978 8.154 773 1HG1 VAL 7 1HG1 VAL 7 10.002 -8.966 7.093 774 2HG1 VAL 7 2HG1 VAL 7 10.933 -9.534 8.479 775 3HG1 VAL 7 3HG1 VAL 7 11.722 -9.315 6.917 776 1HG2 VAL 7 1HG2 VAL 7 12.941 -6.718 9.071 777 2HG2 VAL 7 2HG2 VAL 7 12.582 -8.414 9.388 778 3HG2 VAL 7 3HG2 VAL 7 11.539 -7.154 10.048 779 H ILE 8 H ILE 8 12.628 -6.292 4.380 780 HA ILE 8 HA ILE 8 10.423 -5.600 3.054 781 HB ILE 8 HB ILE 8 12.739 -7.275 2.241 782 1HG1 ILE 8 2HG1 ILE 8 12.584 -5.392 0.391 783 2HG1 ILE 8 1HG1 ILE 8 11.542 -4.622 1.584 784 1HG2 ILE 8 1HG2 ILE 8 11.934 -7.659 0.004 785 2HG2 ILE 8 2HG2 ILE 8 10.400 -6.873 0.380 786 3HG2 ILE 8 3HG2 ILE 8 10.820 -8.403 1.151 787 1HD1 ILE 8 1HD1 ILE 8 14.431 -4.913 1.538 788 2HD1 ILE 8 2HD1 ILE 8 13.711 -5.389 3.076 789 3HD1 ILE 8 3HD1 ILE 8 13.417 -3.775 2.425 790 H LYS 9 H LYS 9 8.579 -6.463 2.246 791 HA LYS 9 HA LYS 9 7.953 -9.226 3.063 792 1HB LYS 9 2HB LYS 9 6.085 -6.864 2.770 793 2HB LYS 9 1HB LYS 9 5.585 -8.504 3.163 794 1HG LYS 9 2HG LYS 9 7.553 -7.015 4.864 795 2HG LYS 9 1HG LYS 9 5.810 -6.830 5.075 796 1HD LYS 9 2HD LYS 9 5.641 -8.793 6.127 797 2HD LYS 9 1HD LYS 9 6.599 -9.617 4.896 798 1HE LYS 9 2HE LYS 9 8.016 -9.871 6.651 799 2HE LYS 9 1HE LYS 9 8.561 -8.287 6.103 800 1HZ LYS 9 1HZ LYS 9 8.216 -8.323 8.490 801 2HZ LYS 9 2HZ LYS 9 6.603 -8.783 8.280 802 3HZ LYS 9 3HZ LYS 9 7.122 -7.263 7.754 803 H ASN 10 H ASN 10 8.030 -6.897 0.535 804 HA ASN 10 HA ASN 10 7.315 -8.979 -1.398 805 1HB ASN 10 2HB ASN 10 6.213 -6.173 -1.604 806 2HB ASN 10 1HB ASN 10 5.813 -7.560 -2.612 807 1HD2 ASN 10 1HD2 ASN 10 4.296 -5.705 -0.726 808 2HD2 ASN 10 2HD2 ASN 10 3.365 -6.787 0.247 809 H ALA 11 H ALA 11 7.649 -5.555 -2.029 810 HA ALA 11 HA ALA 11 9.190 -4.330 -3.159 811 1HB ALA 11 1HB ALA 11 11.400 -4.572 -2.568 812 2HB ALA 11 2HB ALA 11 11.312 -6.333 -2.543 813 3HB ALA 11 3HB ALA 11 10.585 -5.396 -1.238 814 H ASP 12 H ASP 12 8.767 -4.361 -5.270 815 HA ASP 12 HA ASP 12 9.692 -6.656 -6.855 816 1HB ASP 12 2HB ASP 12 7.429 -4.720 -7.214 817 2HB ASP 12 1HB ASP 12 8.149 -5.479 -8.632 818 H MET 13 H MET 13 11.192 -4.339 -5.811 819 HA MET 13 HA MET 13 12.023 -3.055 -8.322 820 1HB MET 13 2HB MET 13 11.426 -1.383 -6.777 821 2HB MET 13 1HB MET 13 12.192 -2.224 -5.437 822 1HG MET 13 2HG MET 13 14.289 -1.493 -5.993 823 2HG MET 13 1HG MET 13 13.883 -1.280 -7.694 824 1HE MET 13 1HE MET 13 11.573 0.585 -4.705 825 2HE MET 13 2HE MET 13 13.008 1.467 -4.184 826 3HE MET 13 3HE MET 13 13.016 -0.297 -4.204 827 H SER 14 H SER 14 14.448 -2.414 -8.240 828 HA SER 14 HA SER 14 15.993 -4.711 -8.427 829 1HB SER 14 2HB SER 14 16.375 -1.943 -8.834 830 2HB SER 14 1HB SER 14 17.669 -2.467 -7.756 831 HG SER 14 HG SER 14 17.353 -2.930 -10.396 832 H GLU 15 H GLU 15 16.997 -5.977 -6.995 833 HA GLU 15 HA GLU 15 16.593 -6.046 -4.332 834 1HB GLU 15 2HB GLU 15 18.959 -6.905 -5.963 835 2HB GLU 15 1HB GLU 15 18.982 -7.097 -4.215 836 1HG GLU 15 2HG GLU 15 16.528 -8.087 -5.407 837 2HG GLU 15 1HG GLU 15 17.965 -8.883 -6.047 838 H GLU 16 H GLU 16 19.626 -4.697 -5.664 839 HA GLU 16 HA GLU 16 20.591 -3.562 -3.347 840 1HB GLU 16 2HB GLU 16 20.842 -2.333 -6.096 841 2HB GLU 16 1HB GLU 16 21.935 -2.110 -4.737 842 1HG GLU 16 2HG GLU 16 23.060 -3.969 -5.198 843 2HG GLU 16 1HG GLU 16 21.587 -4.903 -5.453 844 H MET 17 H MET 17 18.005 -2.485 -5.391 845 HA MET 17 HA MET 17 17.896 0.187 -4.361 846 1HB MET 17 2HB MET 17 16.027 -1.483 -6.027 847 2HB MET 17 1HB MET 17 15.563 0.109 -5.442 848 1HG MET 17 2HG MET 17 18.117 0.364 -6.613 849 2HG MET 17 1HG MET 17 17.121 -0.581 -7.718 850 1HE MET 17 1HE MET 17 15.574 2.322 -5.296 851 2HE MET 17 2HE MET 17 16.237 3.668 -6.225 852 3HE MET 17 3HE MET 17 17.319 2.486 -5.489 853 H GLN 18 H GLN 18 16.474 -2.897 -3.519 854 HA GLN 18 HA GLN 18 14.482 -1.857 -1.763 855 1HB GLN 18 2HB GLN 18 15.420 -4.538 -1.103 856 2HB GLN 18 1HB GLN 18 13.819 -3.997 -1.590 857 1HG GLN 18 2HG GLN 18 15.732 -3.989 -3.777 858 2HG GLN 18 1HG GLN 18 15.509 -5.582 -3.054 859 1HE2 GLN 18 1HE2 GLN 18 13.220 -2.919 -3.457 860 2HE2 GLN 18 2HE2 GLN 18 12.095 -3.799 -4.428 861 H GLN 19 H GLN 19 17.815 -2.895 -1.405 862 HA GLN 19 HA GLN 19 17.820 -2.731 1.456 863 1HB GLN 19 2HB GLN 19 20.023 -2.910 -0.604 864 2HB GLN 19 1HB GLN 19 20.344 -2.800 1.121 865 1HG GLN 19 2HG GLN 19 18.934 -4.856 1.409 866 2HG GLN 19 1HG GLN 19 18.918 -4.999 -0.347 867 1HE2 GLN 19 1HE2 GLN 19 21.646 -3.811 1.478 868 2HE2 GLN 19 2HE2 GLN 19 22.689 -5.152 1.167 869 H ASP 20 H ASP 20 18.582 -0.646 -1.242 870 HA ASP 20 HA ASP 20 19.699 1.454 0.350 871 1HB ASP 20 2HB ASP 20 19.417 0.884 -2.432 872 2HB ASP 20 1HB ASP 20 18.700 2.464 -2.126 873 H SER 21 H SER 21 16.554 0.600 -0.925 874 HA SER 21 HA SER 21 15.238 3.037 -0.365 875 1HB SER 21 2HB SER 21 13.949 1.742 -1.767 876 2HB SER 21 1HB SER 21 14.390 0.239 -0.958 877 HG SER 21 HG SER 21 13.079 1.530 0.839 878 H VAL 22 H VAL 22 15.727 0.063 1.466 879 HA VAL 22 HA VAL 22 14.164 0.708 3.708 880 HB VAL 22 HB VAL 22 16.656 -0.996 3.542 881 1HG1 VAL 22 1HG1 VAL 22 16.526 -0.697 5.797 882 2HG1 VAL 22 2HG1 VAL 22 15.386 -2.031 5.620 883 3HG1 VAL 22 3HG1 VAL 22 14.792 -0.378 5.768 884 1HG2 VAL 22 1HG2 VAL 22 14.011 -2.238 3.869 885 2HG2 VAL 22 2HG2 VAL 22 15.378 -2.721 2.863 886 3HG2 VAL 22 3HG2 VAL 22 14.284 -1.451 2.314 887 H GLU 23 H GLU 23 17.643 1.139 3.096 888 HA GLU 23 HA GLU 23 18.358 2.318 5.502 889 1HB GLU 23 2HB GLU 23 19.436 2.885 2.732 890 2HB GLU 23 1HB GLU 23 20.221 3.362 4.231 891 1HG GLU 23 2HG GLU 23 19.977 0.764 4.727 892 2HG GLU 23 1HG GLU 23 20.003 0.699 2.965 893 H CYS 24 H CYS 24 16.904 3.742 2.627 894 HA CYS 24 HA CYS 24 17.096 6.445 3.453 895 1HB CYS 24 2HB CYS 24 15.128 5.115 1.572 896 2HB CYS 24 1HB CYS 24 15.331 6.855 1.751 897 HG CYS 24 HG CYS 24 16.740 6.193 -0.278 898 H ALA 25 H ALA 25 14.697 3.913 3.932 899 HA ALA 25 HA ALA 25 12.751 5.573 5.184 900 1HB ALA 25 1HB ALA 25 12.837 2.733 5.968 901 2HB ALA 25 2HB ALA 25 12.716 3.028 4.233 902 3HB ALA 25 3HB ALA 25 11.502 3.690 5.327 903 H THR 26 H THR 26 15.582 3.861 6.110 904 HA THR 26 HA THR 26 15.213 3.977 8.932 905 HB THR 26 HB THR 26 17.918 3.834 7.667 906 HG1 THR 26 1HG THR 26 16.209 1.592 7.712 907 1HG2 THR 26 1HG2 THR 26 18.114 1.919 9.284 908 2HG2 THR 26 2HG2 THR 26 16.570 2.449 9.953 909 3HG2 THR 26 3HG2 THR 26 17.964 3.529 9.989 910 H GLN 27 H GLN 27 16.862 5.943 6.511 911 HA GLN 27 HA GLN 27 18.203 7.709 8.197 912 1HB GLN 27 2HB GLN 27 17.392 7.647 5.393 913 2HB GLN 27 1HB GLN 27 17.415 9.276 6.054 914 1HG GLN 27 2HG GLN 27 19.765 7.667 6.726 915 2HG GLN 27 1HG GLN 27 19.557 7.983 5.004 916 1HE2 GLN 27 1HE2 GLN 27 21.465 8.976 7.121 917 2HE2 GLN 27 2HE2 GLN 27 21.428 10.694 6.952 918 H ALA 28 H ALA 28 14.917 7.790 6.916 919 HA ALA 28 HA ALA 28 14.224 10.265 8.178 920 1HB ALA 28 1HB ALA 28 12.321 10.109 6.998 921 2HB ALA 28 2HB ALA 28 12.015 8.455 7.528 922 3HB ALA 28 3HB ALA 28 13.116 8.761 6.184 923 H LEU 29 H LEU 29 13.984 6.864 8.993 924 HA LEU 29 HA LEU 29 12.239 7.106 11.194 925 1HB LEU 29 2HB LEU 29 14.223 5.051 10.317 926 2HB LEU 29 1HB LEU 29 13.448 4.912 11.885 927 HG LEU 29 HG LEU 29 11.626 5.369 9.611 928 1HD1 LEU 29 1HD1 LEU 29 12.140 2.578 9.713 929 2HD1 LEU 29 2HD1 LEU 29 13.652 3.420 9.375 930 3HD1 LEU 29 3HD1 LEU 29 12.249 3.675 8.338 931 1HD2 LEU 29 1HD2 LEU 29 10.151 4.187 10.891 932 2HD2 LEU 29 2HD2 LEU 29 11.209 4.817 12.153 933 3HD2 LEU 29 3HD2 LEU 29 11.404 3.159 11.585 934 H GLU 30 H GLU 30 15.754 7.215 10.901 935 HA GLU 30 HA GLU 30 16.120 7.544 13.748 936 1HB GLU 30 2HB GLU 30 17.737 6.779 11.522 937 2HB GLU 30 1HB GLU 30 18.499 8.152 12.314 938 1HG GLU 30 2HG GLU 30 17.566 5.741 13.832 939 2HG GLU 30 1HG GLU 30 19.167 5.840 13.100 940 H LYS 31 H LYS 31 15.601 9.552 11.027 941 HA LYS 31 HA LYS 31 16.886 11.882 12.157 942 1HB LYS 31 2HB LYS 31 15.346 11.304 9.660 943 2HB LYS 31 1HB LYS 31 15.517 12.972 10.184 944 1HG LYS 31 2HG LYS 31 17.681 11.042 9.404 945 2HG LYS 31 1HG LYS 31 17.254 12.576 8.644 946 1HD LYS 31 2HD LYS 31 17.999 12.722 11.492 947 2HD LYS 31 1HD LYS 31 19.294 12.270 10.384 948 1HE LYS 31 2HE LYS 31 17.529 14.620 9.807 949 2HE LYS 31 1HE LYS 31 18.903 14.772 10.903 950 1HZ LYS 31 1HZ LYS 31 20.220 13.729 8.988 951 2HZ LYS 31 2HZ LYS 31 19.768 15.353 8.850 952 3HZ LYS 31 3HZ LYS 31 18.903 14.163 8.017 953 H TYR 32 H TYR 32 13.816 10.365 12.296 954 HA TYR 32 HA TYR 32 12.852 12.425 14.089 955 1HB TYR 32 2HB TYR 32 10.825 11.704 12.066 956 2HB TYR 32 1HB TYR 32 11.145 13.254 12.841 957 HD1 TYR 32 1HD TYR 32 12.622 14.862 11.832 958 HD2 TYR 32 2HD TYR 32 12.082 11.035 10.056 959 HE1 TYR 32 1HE TYR 32 13.723 15.663 9.785 960 HE2 TYR 32 2HE TYR 32 13.183 11.826 8.005 961 HH TYR 32 HH TYR 32 13.726 15.062 7.341 962 H ASN 33 H ASN 33 11.979 9.487 12.298 963 HA ASN 33 HA ASN 33 11.314 7.441 13.105 964 1HB ASN 33 2HB ASN 33 12.451 8.339 15.320 965 2HB ASN 33 1HB ASN 33 10.779 8.492 15.850 966 1HD2 ASN 33 1HD2 ASN 33 13.385 6.494 15.769 967 2HD2 ASN 33 2HD2 ASN 33 12.592 4.977 16.000 968 H ILE 34 H ILE 34 9.675 9.646 12.098 969 HA ILE 34 HA ILE 34 7.083 8.976 13.331 970 HB ILE 34 HB ILE 34 7.773 11.373 11.624 971 1HG1 ILE 34 2HG1 ILE 34 7.462 12.662 13.718 972 2HG1 ILE 34 1HG1 ILE 34 7.283 11.151 14.604 973 1HG2 ILE 34 1HG2 ILE 34 5.395 10.393 11.597 974 2HG2 ILE 34 2HG2 ILE 34 5.590 12.120 11.890 975 3HG2 ILE 34 3HG2 ILE 34 5.276 11.028 13.238 976 1HD1 ILE 34 1HD1 ILE 34 9.673 12.534 13.727 977 2HD1 ILE 34 2HD1 ILE 34 9.667 10.828 13.281 978 3HD1 ILE 34 3HD1 ILE 34 9.466 11.300 14.969 979 H GLU 35 H GLU 35 5.429 8.196 12.061 980 HA GLU 35 HA GLU 35 6.021 6.714 9.794 981 1HB GLU 35 2HB GLU 35 3.384 7.871 10.707 982 2HB GLU 35 1HB GLU 35 3.536 6.715 9.391 983 1HG GLU 35 2HG GLU 35 2.915 5.500 11.318 984 2HG GLU 35 1HG GLU 35 4.616 5.146 11.014 985 H LYS 36 H LYS 36 3.906 9.576 9.714 986 HA LYS 36 HA LYS 36 4.035 10.010 6.982 987 1HB LYS 36 2HB LYS 36 3.753 12.553 8.030 988 2HB LYS 36 1HB LYS 36 2.448 11.423 7.695 989 1HG LYS 36 2HG LYS 36 1.973 11.207 9.852 990 2HG LYS 36 1HG LYS 36 3.661 10.899 10.264 991 1HD LYS 36 2HD LYS 36 3.378 12.854 11.395 992 2HD LYS 36 1HD LYS 36 3.837 13.516 9.824 993 1HE LYS 36 2HE LYS 36 1.051 13.081 9.748 994 2HE LYS 36 1HE LYS 36 1.404 13.861 11.290 995 1HZ LYS 36 1HZ LYS 36 1.170 15.091 8.853 996 2HZ LYS 36 2HZ LYS 36 2.835 15.077 9.147 997 3HZ LYS 36 3HZ LYS 36 1.784 15.780 10.271 998 H ASP 37 H ASP 37 5.910 11.704 9.508 999 HA ASP 37 HA ASP 37 7.472 13.308 7.934 1000 1HB ASP 37 2HB ASP 37 7.412 12.873 10.553 1001 2HB ASP 37 1HB ASP 37 8.821 11.882 10.183 1002 H ILE 38 H ILE 38 8.464 10.074 9.074 1003 HA ILE 38 HA ILE 38 10.786 9.770 7.663 1004 HB ILE 38 HB ILE 38 8.692 7.685 8.279 1005 1HG1 ILE 38 2HG1 ILE 38 11.363 7.910 9.605 1006 2HG1 ILE 38 1HG1 ILE 38 10.088 9.034 10.066 1007 1HG2 ILE 38 1HG2 ILE 38 11.509 6.920 7.738 1008 2HG2 ILE 38 2HG2 ILE 38 10.465 7.266 6.359 1009 3HG2 ILE 38 3HG2 ILE 38 10.020 6.003 7.506 1010 1HD1 ILE 38 1HD1 ILE 38 9.565 7.452 11.555 1011 2HD1 ILE 38 2HD1 ILE 38 10.398 6.185 10.656 1012 3HD1 ILE 38 3HD1 ILE 38 8.770 6.672 10.189 1013 H ALA 39 H ALA 39 7.612 8.577 6.526 1014 HA ALA 39 HA ALA 39 8.227 7.718 4.037 1015 1HB ALA 39 1HB ALA 39 5.992 8.059 3.413 1016 2HB ALA 39 2HB ALA 39 5.824 9.470 4.458 1017 3HB ALA 39 3HB ALA 39 5.941 7.858 5.164 1018 H ALA 40 H ALA 40 7.657 11.096 4.957 1019 HA ALA 40 HA ALA 40 8.018 12.224 2.401 1020 1HB ALA 40 1HB ALA 40 8.349 14.338 3.600 1021 2HB ALA 40 2HB ALA 40 8.496 13.450 5.117 1022 3HB ALA 40 3HB ALA 40 6.969 13.442 4.235 1023 H HIS 41 H HIS 41 10.257 12.277 5.162 1024 HA HIS 41 HA HIS 41 12.508 13.272 4.067 1025 1HB HIS 41 2HB HIS 41 12.703 12.697 6.316 1026 2HB HIS 41 1HB HIS 41 12.086 11.070 6.059 1027 HD1 HIS 41 1HD HIS 41 15.056 12.597 7.021 1028 HD2 HIS 41 2HD HIS 41 14.174 9.652 4.226 1029 HE1 HIS 41 1HE HIS 41 17.219 11.380 6.622 1030 HE2 HIS 41 2HE HIS 41 16.655 9.577 4.955 1031 H ILE 42 H ILE 42 11.341 9.954 3.680 1032 HA ILE 42 HA ILE 42 13.566 9.090 2.119 1033 HB ILE 42 HB ILE 42 10.803 7.873 2.232 1034 1HG1 ILE 42 2HG1 ILE 42 13.060 6.759 3.814 1035 2HG1 ILE 42 1HG1 ILE 42 12.317 8.239 4.414 1036 1HG2 ILE 42 1HG2 ILE 42 13.181 6.189 1.839 1037 2HG2 ILE 42 2HG2 ILE 42 12.788 7.274 0.504 1038 3HG2 ILE 42 3HG2 ILE 42 11.592 6.111 1.079 1039 1HD1 ILE 42 1HD1 ILE 42 10.231 7.199 4.691 1040 2HD1 ILE 42 2HD1 ILE 42 11.418 6.052 5.312 1041 3HD1 ILE 42 3HD1 ILE 42 10.705 5.807 3.718 1042 H LYS 43 H LYS 43 10.158 9.314 1.112 1043 HA LYS 43 HA LYS 43 10.365 9.143 -1.551 1044 1HB LYS 43 2HB LYS 43 8.193 9.470 -0.804 1045 2HB LYS 43 1HB LYS 43 8.626 10.873 0.163 1046 1HG LYS 43 2HG LYS 43 8.678 12.285 -1.716 1047 2HG LYS 43 1HG LYS 43 8.680 10.922 -2.837 1048 1HD LYS 43 2HD LYS 43 6.420 10.408 -2.363 1049 2HD LYS 43 1HD LYS 43 6.398 11.474 -0.955 1050 1HE LYS 43 2HE LYS 43 5.269 12.317 -3.084 1051 2HE LYS 43 1HE LYS 43 6.396 13.406 -2.276 1052 1HZ LYS 43 1HZ LYS 43 7.285 11.644 -4.472 1053 2HZ LYS 43 2HZ LYS 43 8.008 13.059 -3.893 1054 3HZ LYS 43 3HZ LYS 43 6.579 13.148 -4.792 1055 H LYS 44 H LYS 44 10.931 12.135 0.273 1056 HA LYS 44 HA LYS 44 11.544 13.765 -1.925 1057 1HB LYS 44 2HB LYS 44 11.787 13.924 0.991 1058 2HB LYS 44 1HB LYS 44 13.013 14.843 0.128 1059 1HG LYS 44 2HG LYS 44 11.302 16.069 -1.065 1060 2HG LYS 44 1HG LYS 44 10.043 15.102 -0.295 1061 1HD LYS 44 2HD LYS 44 10.019 16.487 1.444 1062 2HD LYS 44 1HD LYS 44 11.732 16.180 1.732 1063 1HE LYS 44 2HE LYS 44 12.384 17.974 0.337 1064 2HE LYS 44 1HE LYS 44 10.762 18.138 -0.332 1065 1HZ LYS 44 1HZ LYS 44 10.439 18.468 2.365 1066 2HZ LYS 44 2HZ LYS 44 10.447 19.695 1.200 1067 3HZ LYS 44 3HZ LYS 44 11.872 19.301 2.023 1068 H GLU 45 H GLU 45 13.754 12.181 0.374 1069 HA GLU 45 HA GLU 45 16.127 12.895 -0.897 1070 1HB GLU 45 2HB GLU 45 15.312 10.841 1.065 1071 2HB GLU 45 1HB GLU 45 16.795 10.501 0.182 1072 1HG GLU 45 2HG GLU 45 16.791 13.221 1.094 1073 2HG GLU 45 1HG GLU 45 16.477 12.122 2.436 1074 H PHE 46 H PHE 46 14.421 9.772 -1.120 1075 HA PHE 46 HA PHE 46 15.904 8.458 -2.949 1076 1HB PHE 46 2HB PHE 46 13.161 8.382 -2.113 1077 2HB PHE 46 1HB PHE 46 13.249 8.109 -3.850 1078 HD1 PHE 46 1HD PHE 46 14.564 6.941 -0.597 1079 HD2 PHE 46 2HD PHE 46 13.934 6.048 -4.708 1080 HE1 PHE 46 1HE PHE 46 15.226 4.610 -0.188 1081 HE2 PHE 46 2HE PHE 46 14.594 3.711 -4.307 1082 HZ PHE 46 HZ PHE 46 15.241 2.990 -2.042 1083 H ASP 47 H ASP 47 13.144 10.488 -3.957 1084 HA ASP 47 HA ASP 47 13.565 10.481 -6.656 1085 1HB ASP 47 2HB ASP 47 12.398 12.626 -6.747 1086 2HB ASP 47 1HB ASP 47 11.641 11.567 -5.559 1087 H LYS 48 H LYS 48 15.144 12.557 -4.259 1088 HA LYS 48 HA LYS 48 16.600 14.086 -6.157 1089 1HB LYS 48 2HB LYS 48 17.469 15.211 -4.358 1090 2HB LYS 48 1HB LYS 48 16.039 14.513 -3.614 1091 1HG LYS 48 2HG LYS 48 17.552 13.949 -2.032 1092 2HG LYS 48 1HG LYS 48 17.759 12.551 -3.089 1093 1HD LYS 48 2HD LYS 48 19.916 13.497 -2.432 1094 2HD LYS 48 1HD LYS 48 19.657 13.639 -4.171 1095 1HE LYS 48 2HE LYS 48 19.206 15.942 -4.023 1096 2HE LYS 48 1HE LYS 48 18.985 15.869 -2.275 1097 1HZ LYS 48 1HZ LYS 48 21.081 16.656 -2.296 1098 2HZ LYS 48 2HZ LYS 48 21.436 16.036 -3.828 1099 3HZ LYS 48 3HZ LYS 48 21.490 15.024 -2.474 1100 H LYS 49 H LYS 49 17.334 11.142 -4.365 1101 HA LYS 49 HA LYS 49 20.053 11.093 -5.386 1102 1HB LYS 49 2HB LYS 49 19.018 10.262 -3.033 1103 2HB LYS 49 1HB LYS 49 18.996 8.748 -3.927 1104 1HG LYS 49 2HG LYS 49 21.510 9.832 -4.426 1105 2HG LYS 49 1HG LYS 49 21.209 10.139 -2.715 1106 1HD LYS 49 2HD LYS 49 22.322 7.974 -3.104 1107 2HD LYS 49 1HD LYS 49 20.742 7.793 -2.340 1108 1HE LYS 49 2HE LYS 49 20.593 6.182 -3.957 1109 2HE LYS 49 1HE LYS 49 19.936 7.562 -4.836 1110 1HZ LYS 49 1HZ LYS 49 22.205 7.930 -5.729 1111 2HZ LYS 49 2HZ LYS 49 21.513 6.468 -6.222 1112 3HZ LYS 49 3HZ LYS 49 22.693 6.478 -5.011 1113 H TYR 50 H TYR 50 17.038 10.080 -6.453 1114 HA TYR 50 HA TYR 50 18.296 8.126 -8.258 1115 1HB TYR 50 2HB TYR 50 15.526 7.944 -7.057 1116 2HB TYR 50 1HB TYR 50 16.207 6.824 -8.234 1117 HD1 TYR 50 1HD TYR 50 18.143 5.382 -7.573 1118 HD2 TYR 50 2HD TYR 50 16.014 7.739 -4.741 1119 HE1 TYR 50 1HE TYR 50 19.079 4.025 -5.749 1120 HE2 TYR 50 2HE TYR 50 16.946 6.388 -2.910 1121 HH TYR 50 HH TYR 50 19.547 4.334 -3.280 1122 H ASN 51 H ASN 51 15.085 9.661 -7.987 1123 HA ASN 51 HA ASN 51 15.137 11.555 -9.894 1124 1HB ASN 51 2HB ASN 51 16.031 9.594 -11.341 1125 2HB ASN 51 1HB ASN 51 14.359 9.046 -11.364 1126 1HD2 ASN 51 1HD2 ASN 51 16.228 12.024 -11.847 1127 2HD2 ASN 51 2HD2 ASN 51 15.332 12.564 -13.221 1128 HA PRO 52 HA PRO 52 11.128 11.472 -7.820 1129 1HB PRO 52 2HB PRO 52 10.802 13.607 -9.891 1130 2HB PRO 52 1HB PRO 52 10.309 13.606 -8.194 1131 1HG PRO 52 2HG PRO 52 12.498 14.905 -8.957 1132 2HG PRO 52 1HG PRO 52 12.462 14.004 -7.429 1133 1HD PRO 52 2HD PRO 52 13.812 13.337 -9.990 1134 2HD PRO 52 1HD PRO 52 14.265 12.912 -8.328 1135 H THR 53 H THR 53 8.624 10.204 -9.983 1136 HA THR 53 HA THR 53 9.534 11.430 -7.468 1137 HB THR 53 HB THR 53 6.815 11.393 -8.758 1138 HG1 THR 53 1HG THR 53 6.986 13.578 -8.523 1139 1HG2 THR 53 1HG2 THR 53 6.725 12.710 -6.240 1140 2HG2 THR 53 2HG2 THR 53 7.244 11.042 -5.999 1141 3HG2 THR 53 3HG2 THR 53 5.731 11.381 -6.839 1142 H TRP 54 H TRP 54 9.446 10.222 -5.659 1143 HA TRP 54 HA TRP 54 8.562 7.447 -5.969 1144 1HB TRP 54 2HB TRP 54 10.304 8.731 -3.860 1145 2HB TRP 54 1HB TRP 54 9.897 7.020 -3.933 1146 HD1 TRP 54 HD TRP 54 11.676 9.650 -6.172 1147 HE1 TRP 54 1HE TRP 54 13.594 8.457 -7.404 1148 HE3 TRP 54 3HE TRP 54 10.871 4.885 -4.505 1149 HZ2 TRP 54 2HZ TRP 54 14.629 5.840 -7.641 1150 HZ3 TRP 54 3HZ TRP 54 12.368 3.093 -5.283 1151 HH2 TRP 54 HH TRP 54 14.207 3.562 -6.818 1152 H HIS 55 H HIS 55 6.780 6.719 -5.022 1153 HA HIS 55 HA HIS 55 5.415 8.399 -3.049 1154 1HB HIS 55 2HB HIS 55 4.488 5.921 -4.534 1155 2HB HIS 55 1HB HIS 55 3.506 6.837 -3.394 1156 HD1 HIS 55 1HD HIS 55 2.380 6.580 -6.136 1157 HD2 HIS 55 2HD HIS 55 4.996 9.637 -5.101 1158 HE1 HIS 55 1HE HIS 55 1.974 8.407 -7.814 1159 HE2 HIS 55 2HE HIS 55 3.596 10.233 -7.194 1160 H CYS 56 H CYS 56 6.566 8.043 -1.186 1161 HA CYS 56 HA CYS 56 6.997 5.264 -0.367 1162 1HB CYS 56 2HB CYS 56 9.026 6.320 -0.147 1163 2HB CYS 56 1HB CYS 56 8.300 7.858 0.306 1164 HG CYS 56 HG CYS 56 9.448 6.809 2.397 1165 H ILE 57 H ILE 57 6.534 4.515 1.666 1166 HA ILE 57 HA ILE 57 4.742 6.081 3.370 1167 HB ILE 57 HB ILE 57 4.103 3.213 2.693 1168 1HG1 ILE 57 2HG1 ILE 57 3.939 4.606 0.644 1169 2HG1 ILE 57 1HG1 ILE 57 2.377 3.992 1.173 1170 1HG2 ILE 57 1HG2 ILE 57 3.275 4.221 4.828 1171 2HG2 ILE 57 2HG2 ILE 57 2.005 3.643 3.749 1172 3HG2 ILE 57 3HG2 ILE 57 2.351 5.368 3.859 1173 1HD1 ILE 57 1HD1 ILE 57 3.010 6.608 0.552 1174 2HD1 ILE 57 2HD1 ILE 57 2.943 6.582 2.314 1175 3HD1 ILE 57 3HD1 ILE 57 1.556 6.038 1.371 1176 H VAL 58 H VAL 58 4.657 5.232 5.579 1177 HA VAL 58 HA VAL 58 6.378 3.056 6.307 1178 HB VAL 58 HB VAL 58 8.182 4.520 6.073 1179 1HG1 VAL 58 1HG1 VAL 58 6.287 6.523 6.309 1180 2HG1 VAL 58 2HG1 VAL 58 8.019 6.736 6.058 1181 3HG1 VAL 58 3HG1 VAL 58 7.354 6.772 7.691 1182 1HG2 VAL 58 1HG2 VAL 58 8.885 3.799 8.064 1183 2HG2 VAL 58 2HG2 VAL 58 7.276 3.940 8.769 1184 3HG2 VAL 58 3HG2 VAL 58 8.339 5.345 8.712 1185 H GLY 59 H GLY 59 5.092 2.101 7.729 1186 1HA GLY 59 2HA GLY 59 4.112 3.700 9.994 1187 2HA GLY 59 1HA GLY 59 3.008 2.635 9.136 1188 H ARG 60 H ARG 60 2.656 0.818 10.230 1189 HA ARG 60 HA ARG 60 4.799 -0.861 11.039 1190 1HB ARG 60 2HB ARG 60 3.815 -0.831 13.487 1191 2HB ARG 60 1HB ARG 60 5.088 0.274 12.988 1192 1HG ARG 60 2HG ARG 60 3.026 1.804 12.373 1193 2HG ARG 60 1HG ARG 60 2.238 0.814 13.603 1194 1HD ARG 60 2HD ARG 60 3.990 1.391 15.200 1195 2HD ARG 60 1HD ARG 60 4.805 2.356 13.968 1196 HE ARG 60 HE ARG 60 2.871 3.846 14.011 1197 1HH1 ARG 60 1HH1 ARG 60 3.263 1.630 16.668 1198 2HH1 ARG 60 2HH1 ARG 60 2.330 2.585 17.772 1199 1HH2 ARG 60 1HH2 ARG 60 1.638 5.110 15.454 1200 2HH2 ARG 60 2HH2 ARG 60 1.405 4.564 17.081 1201 H ASN 61 H ASN 61 1.425 -0.133 10.772 1202 HA ASN 61 HA ASN 61 0.823 -2.928 10.400 1203 1HB ASN 61 2HB ASN 61 0.313 -1.661 12.940 1204 2HB ASN 61 1HB ASN 61 -1.203 -2.150 12.188 1205 1HD2 ASN 61 1HD2 ASN 61 1.083 -3.120 14.257 1206 2HD2 ASN 61 2HD2 ASN 61 0.963 -4.833 14.075 1207 H PHE 62 H PHE 62 0.724 -0.915 8.562 1208 HA PHE 62 HA PHE 62 -2.112 -0.196 8.334 1209 1HB PHE 62 2HB PHE 62 -1.415 1.436 6.672 1210 2HB PHE 62 1HB PHE 62 -0.461 1.637 8.138 1211 HD1 PHE 62 1HD PHE 62 -0.308 1.508 4.670 1212 HD2 PHE 62 2HD PHE 62 1.788 0.208 8.138 1213 HE1 PHE 62 1HE PHE 62 1.757 1.320 3.347 1214 HE2 PHE 62 2HE PHE 62 3.858 0.019 6.821 1215 HZ PHE 62 HZ PHE 62 3.845 0.575 4.422 1216 H GLY 63 H GLY 63 -2.812 -0.098 5.898 1217 1HA GLY 63 2HA GLY 63 -2.012 -2.659 4.656 1218 2HA GLY 63 1HA GLY 63 -3.673 -2.084 4.676 1219 H SER 64 H SER 64 -0.489 -1.627 3.301 1220 HA SER 64 HA SER 64 -1.397 0.433 1.481 1221 1HB SER 64 2HB SER 64 0.967 0.139 0.542 1222 2HB SER 64 1HB SER 64 0.840 0.717 2.204 1223 HG SER 64 HG SER 64 0.886 -1.971 2.155 1224 H TYR 65 H TYR 65 -2.346 0.047 -0.389 1225 HA TYR 65 HA TYR 65 -1.697 -2.417 -1.848 1226 1HB TYR 65 2HB TYR 65 -3.947 -2.438 -0.532 1227 2HB TYR 65 1HB TYR 65 -4.511 -1.369 -1.812 1228 HD1 TYR 65 1HD TYR 65 -5.230 -2.245 -3.864 1229 HD2 TYR 65 2HD TYR 65 -3.019 -4.717 -1.202 1230 HE1 TYR 65 1HE TYR 65 -5.706 -4.193 -5.288 1231 HE2 TYR 65 2HE TYR 65 -3.486 -6.673 -2.618 1232 HH TYR 65 HH TYR 65 -4.264 -6.665 -5.563 1233 H VAL 66 H VAL 66 -0.346 -0.440 -2.689 1234 HA VAL 66 HA VAL 66 -1.850 1.107 -4.665 1235 HB VAL 66 HB VAL 66 0.141 2.446 -4.943 1236 1HG1 VAL 66 1HG1 VAL 66 -1.317 2.235 -2.570 1237 2HG1 VAL 66 2HG1 VAL 66 -0.366 3.615 -3.120 1238 3HG1 VAL 66 3HG1 VAL 66 0.367 2.400 -2.072 1239 1HG2 VAL 66 1HG2 VAL 66 2.161 1.970 -3.546 1240 2HG2 VAL 66 2HG2 VAL 66 1.862 0.798 -4.830 1241 3HG2 VAL 66 3HG2 VAL 66 1.451 0.402 -3.160 1242 H THR 67 H THR 67 -0.842 1.375 -6.840 1243 HA THR 67 HA THR 67 0.036 -1.244 -7.831 1244 HB THR 67 HB THR 67 -1.176 1.119 -9.275 1245 HG1 THR 67 1HG THR 67 -2.314 -1.435 -9.061 1246 1HG2 THR 67 1HG2 THR 67 -1.444 -0.482 -11.168 1247 2HG2 THR 67 2HG2 THR 67 -0.320 -1.557 -10.335 1248 3HG2 THR 67 3HG2 THR 67 0.214 0.039 -10.863 1249 H HIS 68 H HIS 68 2.226 -1.270 -7.637 1250 HA HIS 68 HA HIS 68 4.056 0.729 -7.794 1251 1HB HIS 68 2HB HIS 68 5.607 -1.048 -8.841 1252 2HB HIS 68 1HB HIS 68 4.908 -1.385 -7.261 1253 HD1 HIS 68 1HD HIS 68 2.861 -1.816 -10.365 1254 HD2 HIS 68 2HD HIS 68 4.994 -4.150 -7.667 1255 HE1 HIS 68 1HE HIS 68 2.214 -4.192 -10.873 1256 HE2 HIS 68 2HE HIS 68 3.505 -5.587 -9.219 1257 H GLU 69 H GLU 69 5.698 1.098 -9.603 1258 HA GLU 69 HA GLU 69 4.476 1.098 -12.257 1259 1HB GLU 69 2HB GLU 69 5.710 3.611 -11.141 1260 2HB GLU 69 1HB GLU 69 4.778 3.426 -12.620 1261 1HG GLU 69 2HG GLU 69 3.278 2.616 -10.276 1262 2HG GLU 69 1HG GLU 69 3.835 4.286 -10.174 1263 H THR 70 H THR 70 6.942 3.288 -12.254 1264 HA THR 70 HA THR 70 8.667 2.036 -13.900 1265 HB THR 70 HB THR 70 10.495 3.441 -12.912 1266 HG1 THR 70 1HG THR 70 10.254 3.982 -10.915 1267 1HG2 THR 70 1HG2 THR 70 8.286 4.296 -14.298 1268 2HG2 THR 70 2HG2 THR 70 9.750 5.231 -13.992 1269 3HG2 THR 70 3HG2 THR 70 8.356 5.400 -12.924 1270 H LYS 71 H LYS 71 10.291 2.468 -10.880 1271 HA LYS 71 HA LYS 71 11.509 -0.091 -11.027 1272 1HB LYS 71 2HB LYS 71 11.480 2.043 -8.897 1273 2HB LYS 71 1HB LYS 71 12.362 0.535 -8.704 1274 1HG LYS 71 2HG LYS 71 12.821 2.673 -10.766 1275 2HG LYS 71 1HG LYS 71 13.895 2.187 -9.453 1276 1HD LYS 71 2HD LYS 71 13.166 -0.037 -11.180 1277 2HD LYS 71 1HD LYS 71 13.971 1.264 -12.059 1278 1HE LYS 71 2HE LYS 71 15.077 0.238 -9.470 1279 2HE LYS 71 1HE LYS 71 15.407 -0.596 -10.988 1280 1HZ LYS 71 1HZ LYS 71 17.149 0.828 -10.967 1281 2HZ LYS 71 2HZ LYS 71 16.345 2.007 -10.058 1282 3HZ LYS 71 3HZ LYS 71 16.027 1.851 -11.712 1283 H HIS 72 H HIS 72 8.484 0.207 -10.639 1284 HA HIS 72 HA HIS 72 6.827 -1.026 -9.690 1285 1HB HIS 72 2HB HIS 72 9.226 -2.662 -8.917 1286 2HB HIS 72 1HB HIS 72 7.620 -3.091 -8.336 1287 HD1 HIS 72 1HD HIS 72 9.593 -4.564 -10.522 1288 HD2 HIS 72 2HD HIS 72 6.007 -2.574 -11.185 1289 HE1 HIS 72 1HE HIS 72 8.703 -5.485 -12.686 1290 HE2 HIS 72 2HE HIS 72 6.587 -4.187 -13.120 1291 H PHE 73 H PHE 73 9.038 -1.774 -7.067 1292 HA PHE 73 HA PHE 73 8.723 0.297 -5.329 1293 1HB PHE 73 2HB PHE 73 6.743 0.021 -4.104 1294 2HB PHE 73 1HB PHE 73 6.228 -0.210 -5.772 1295 HD1 PHE 73 1HD PHE 73 6.491 -2.784 -6.560 1296 HD2 PHE 73 2HD PHE 73 5.877 -1.439 -2.569 1297 HE1 PHE 73 1HE PHE 73 5.558 -4.981 -5.967 1298 HE2 PHE 73 2HE PHE 73 4.943 -3.635 -1.969 1299 HZ PHE 73 HZ PHE 73 4.783 -5.410 -3.670 1300 H ILE 74 H ILE 74 8.449 -0.642 -2.884 1301 HA ILE 74 HA ILE 74 9.582 -3.274 -2.572 1302 HB ILE 74 HB ILE 74 11.605 -1.970 -3.044 1303 1HG1 ILE 74 2HG1 ILE 74 11.042 -3.372 -0.509 1304 2HG1 ILE 74 1HG1 ILE 74 12.278 -3.688 -1.715 1305 1HG2 ILE 74 1HG2 ILE 74 10.426 0.116 -1.898 1306 2HG2 ILE 74 2HG2 ILE 74 12.181 -0.024 -2.001 1307 3HG2 ILE 74 3HG2 ILE 74 11.348 -0.448 -0.505 1308 1HD1 ILE 74 1HD1 ILE 74 12.396 -2.093 0.761 1309 2HD1 ILE 74 2HD1 ILE 74 13.307 -1.481 -0.618 1310 3HD1 ILE 74 3HD1 ILE 74 13.620 -3.105 -0.004 1311 H TYR 75 H TYR 75 8.435 -4.071 -0.964 1312 HA TYR 75 HA TYR 75 7.574 -2.309 1.219 1313 1HB TYR 75 2HB TYR 75 6.058 -3.998 -0.196 1314 2HB TYR 75 1HB TYR 75 6.631 -5.131 1.023 1315 HD1 TYR 75 1HD TYR 75 5.649 -1.533 1.257 1316 HD2 TYR 75 2HD TYR 75 4.885 -5.533 2.488 1317 HE1 TYR 75 1HE TYR 75 3.928 -0.719 2.813 1318 HE2 TYR 75 2HE TYR 75 3.161 -4.730 4.047 1319 HH TYR 75 HH TYR 75 1.939 -2.959 4.692 1320 H PHE 76 H PHE 76 8.231 -2.645 3.300 1321 HA PHE 76 HA PHE 76 9.522 -5.062 4.139 1322 1HB PHE 76 2HB PHE 76 11.681 -3.826 4.750 1323 2HB PHE 76 1HB PHE 76 11.453 -4.255 3.058 1324 HD1 PHE 76 1HD PHE 76 10.232 -2.375 1.634 1325 HD2 PHE 76 2HD PHE 76 12.404 -1.706 5.231 1326 HE1 PHE 76 1HE PHE 76 10.565 -0.025 0.990 1327 HE2 PHE 76 2HE PHE 76 12.740 0.647 4.594 1328 HZ PHE 76 HZ PHE 76 11.819 1.490 2.470 1329 H TYR 77 H TYR 77 10.090 -5.059 6.402 1330 HA TYR 77 HA TYR 77 8.704 -2.933 7.902 1331 1HB TYR 77 2HB TYR 77 7.404 -4.830 8.284 1332 2HB TYR 77 1HB TYR 77 8.797 -5.904 8.299 1333 HD1 TYR 77 1HD TYR 77 10.345 -5.844 10.300 1334 HD2 TYR 77 2HD TYR 77 6.547 -3.926 10.287 1335 HE1 TYR 77 1HE TYR 77 10.378 -5.777 12.758 1336 HE2 TYR 77 2HE TYR 77 6.570 -3.853 12.746 1337 HH TYR 77 HH TYR 77 7.686 -5.177 14.618 1338 H LEU 78 H LEU 78 10.107 -1.652 8.888 1339 HA LEU 78 HA LEU 78 12.794 -2.389 9.464 1340 1HB LEU 78 2HB LEU 78 11.073 -0.013 10.046 1341 2HB LEU 78 1HB LEU 78 12.614 -0.180 10.866 1342 HG LEU 78 HG LEU 78 12.687 1.252 8.826 1343 1HD1 LEU 78 1HD1 LEU 78 14.412 -1.020 9.442 1344 2HD1 LEU 78 2HD1 LEU 78 14.820 0.669 9.140 1345 3HD1 LEU 78 3HD1 LEU 78 14.570 -0.434 7.786 1346 1HD2 LEU 78 1HD2 LEU 78 11.065 -0.068 7.503 1347 2HD2 LEU 78 2HD2 LEU 78 12.272 -1.346 7.354 1348 3HD2 LEU 78 3HD2 LEU 78 12.574 0.239 6.641 1349 H GLY 79 H GLY 79 13.697 -2.002 11.745 1350 1HA GLY 79 2HA GLY 79 13.247 -3.929 13.482 1351 2HA GLY 79 1HA GLY 79 13.561 -2.302 14.068 1352 H GLN 80 H GLN 80 11.091 -1.166 13.157 1353 HA GLN 80 HA GLN 80 8.933 -2.661 14.333 1354 1HB GLN 80 2HB GLN 80 10.444 -0.784 15.941 1355 2HB GLN 80 1HB GLN 80 8.765 -0.281 15.797 1356 1HG GLN 80 2HG GLN 80 8.265 -2.765 16.401 1357 2HG GLN 80 1HG GLN 80 9.909 -2.737 17.035 1358 1HE2 GLN 80 1HE2 GLN 80 9.219 0.289 17.462 1359 2HE2 GLN 80 2HE2 GLN 80 8.441 0.271 19.004 1360 H VAL 81 H VAL 81 9.251 -1.701 11.783 1361 HA VAL 81 HA VAL 81 6.936 -0.017 11.533 1362 HB VAL 81 HB VAL 81 9.668 1.026 10.815 1363 1HG1 VAL 81 1HG1 VAL 81 8.765 1.752 8.887 1364 2HG1 VAL 81 2HG1 VAL 81 7.988 2.958 9.914 1365 3HG1 VAL 81 3HG1 VAL 81 7.113 1.500 9.450 1366 1HG2 VAL 81 1HG2 VAL 81 8.793 3.045 11.995 1367 2HG2 VAL 81 2HG2 VAL 81 8.945 1.615 13.016 1368 3HG2 VAL 81 3HG2 VAL 81 7.360 2.110 12.419 1369 H ALA 82 H ALA 82 6.495 0.444 9.145 1370 HA ALA 82 HA ALA 82 7.601 -1.645 7.405 1371 1HB ALA 82 1HB ALA 82 5.664 -2.759 7.884 1372 2HB ALA 82 2HB ALA 82 5.094 -1.754 6.551 1373 3HB ALA 82 3HB ALA 82 4.765 -1.279 8.217 1374 H ILE 83 H ILE 83 8.526 -0.546 5.797 1375 HA ILE 83 HA ILE 83 7.319 1.966 4.914 1376 HB ILE 83 HB ILE 83 9.856 1.105 3.687 1377 1HG1 ILE 83 2HG1 ILE 83 9.971 0.363 6.131 1378 2HG1 ILE 83 1HG1 ILE 83 11.239 1.451 5.579 1379 1HG2 ILE 83 1HG2 ILE 83 8.833 3.281 3.256 1380 2HG2 ILE 83 2HG2 ILE 83 10.410 3.454 4.027 1381 3HG2 ILE 83 3HG2 ILE 83 8.937 3.672 4.973 1382 1HD1 ILE 83 1HD1 ILE 83 8.872 2.096 7.311 1383 2HD1 ILE 83 2HD1 ILE 83 9.885 3.333 6.566 1384 3HD1 ILE 83 3HD1 ILE 83 10.586 2.195 7.717 1385 H LEU 84 H LEU 84 6.425 2.261 2.992 1386 HA LEU 84 HA LEU 84 6.518 0.071 1.027 1387 1HB LEU 84 2HB LEU 84 4.306 0.012 1.636 1388 2HB LEU 84 1HB LEU 84 4.271 1.705 2.083 1389 HG LEU 84 HG LEU 84 4.518 2.020 -0.550 1390 1HD1 LEU 84 1HD1 LEU 84 4.658 -0.400 -0.973 1391 2HD1 LEU 84 2HD1 LEU 84 3.271 0.345 -1.767 1392 3HD1 LEU 84 3HD1 LEU 84 3.043 -0.595 -0.293 1393 1HD2 LEU 84 1HD2 LEU 84 1.761 1.350 0.019 1394 2HD2 LEU 84 2HD2 LEU 84 2.497 2.920 -0.306 1395 3HD2 LEU 84 3HD2 LEU 84 2.493 2.270 1.334 1396 H LEU 85 H LEU 85 8.167 0.900 -0.233 1397 HA LEU 85 HA LEU 85 7.902 3.644 -1.218 1398 1HB LEU 85 2HB LEU 85 10.101 1.961 -0.559 1399 2HB LEU 85 1HB LEU 85 10.215 2.361 -2.262 1400 HG LEU 85 HG LEU 85 9.895 4.806 -1.512 1401 1HD1 LEU 85 1HD1 LEU 85 11.199 4.425 0.992 1402 2HD1 LEU 85 2HD1 LEU 85 9.690 3.511 0.989 1403 3HD1 LEU 85 3HD1 LEU 85 9.674 5.241 0.648 1404 1HD2 LEU 85 1HD2 LEU 85 12.294 3.082 -1.293 1405 2HD2 LEU 85 2HD2 LEU 85 12.410 4.717 -0.641 1406 3HD2 LEU 85 3HD2 LEU 85 11.984 4.471 -2.334 1407 H PHE 86 H PHE 86 7.477 4.165 -3.274 1408 HA PHE 86 HA PHE 86 7.856 2.494 -5.509 1409 1HB PHE 86 2HB PHE 86 5.717 1.679 -6.006 1410 2HB PHE 86 1HB PHE 86 5.874 1.386 -4.277 1411 HD1 PHE 86 1HD PHE 86 3.911 2.871 -6.836 1412 HD2 PHE 86 2HD PHE 86 4.871 3.139 -2.699 1413 HE1 PHE 86 1HE PHE 86 1.836 4.132 -6.440 1414 HE2 PHE 86 2HE PHE 86 2.797 4.401 -2.294 1415 HZ PHE 86 HZ PHE 86 1.276 4.899 -4.167 1416 H LYS 87 H LYS 87 8.181 3.903 -7.106 1417 HA LYS 87 HA LYS 87 7.037 6.573 -6.908 1418 1HB LYS 87 2HB LYS 87 8.519 6.587 -9.205 1419 2HB LYS 87 1HB LYS 87 9.123 7.022 -7.612 1420 1HG LYS 87 2HG LYS 87 9.769 4.598 -7.337 1421 2HG LYS 87 1HG LYS 87 9.419 4.410 -9.057 1422 1HD LYS 87 2HD LYS 87 11.360 6.423 -7.929 1423 2HD LYS 87 1HD LYS 87 11.823 4.836 -8.547 1424 1HE LYS 87 2HE LYS 87 10.297 5.841 -10.585 1425 2HE LYS 87 1HE LYS 87 11.112 7.283 -9.981 1426 1HZ LYS 87 1HZ LYS 87 12.159 5.469 -11.712 1427 2HZ LYS 87 2HZ LYS 87 12.871 5.035 -10.240 1428 3HZ LYS 87 3HZ LYS 87 13.042 6.612 -10.830 1429 H SER 88 H SER 88 6.133 7.605 -8.846 1430 HA SER 88 HA SER 88 4.589 5.690 -10.465 1431 1HB SER 88 2HB SER 88 3.773 8.032 -8.915 1432 2HB SER 88 1HB SER 88 3.174 8.051 -10.574 1433 HG SER 88 HG SER 88 2.194 6.074 -10.217 1434 H GLY 89 H GLY 89 7.201 7.086 -10.856 1435 1HA GLY 89 2HA GLY 89 8.085 7.418 -13.086 1436 2HA GLY 89 1HA GLY 89 6.577 8.215 -13.507 Start of MODEL 8 1 1H MET 1 1HT MET 1 -21.257 0.521 10.410 2 2H MET 1 2HT MET 1 -22.841 0.792 9.808 3 3H MET 1 3HT MET 1 -21.777 2.115 10.055 4 HA MET 1 HA MET 1 -20.389 1.456 8.329 5 1HB MET 1 2HB MET 1 -21.136 -0.660 7.032 6 2HB MET 1 1HB MET 1 -20.253 -0.864 8.539 7 1HG MET 1 2HG MET 1 -22.170 -1.502 9.712 8 2HG MET 1 1HG MET 1 -23.247 -0.882 8.461 9 1HE MET 1 1HE MET 1 -24.632 -3.318 7.227 10 2HE MET 1 2HE MET 1 -24.505 -2.804 8.909 11 3HE MET 1 3HE MET 1 -24.155 -4.475 8.469 12 H CYS 2 H CYS 2 -21.197 0.944 5.874 13 HA CYS 2 HA CYS 2 -22.553 1.535 4.131 14 1HB CYS 2 2HB CYS 2 -24.383 0.731 5.848 15 2HB CYS 2 1HB CYS 2 -24.732 2.453 5.964 16 HG CYS 2 HG CYS 2 -24.912 2.088 3.159 17 H ASP 3 H ASP 3 -23.149 3.747 6.868 18 HA ASP 3 HA ASP 3 -23.461 6.082 5.405 19 1HB ASP 3 2HB ASP 3 -23.453 5.442 8.074 20 2HB ASP 3 1HB ASP 3 -22.013 6.447 7.935 21 H ARG 4 H ARG 4 -21.708 7.984 6.023 22 HA ARG 4 HA ARG 4 -19.563 7.516 4.231 23 1HB ARG 4 2HB ARG 4 -20.230 9.766 6.116 24 2HB ARG 4 1HB ARG 4 -18.758 9.775 5.156 25 1HG ARG 4 2HG ARG 4 -20.629 11.054 4.153 26 2HG ARG 4 1HG ARG 4 -20.003 9.771 3.117 27 1HD ARG 4 2HD ARG 4 -21.857 8.373 3.568 28 2HD ARG 4 1HD ARG 4 -22.386 9.386 4.910 29 HE ARG 4 HE ARG 4 -22.862 9.831 2.092 30 1HH1 ARG 4 1HH1 ARG 4 -22.828 11.200 5.293 31 2HH1 ARG 4 2HH1 ARG 4 -23.896 12.502 4.890 32 1HH2 ARG 4 1HH2 ARG 4 -24.271 11.545 1.548 33 2HH2 ARG 4 2HH2 ARG 4 -24.717 12.699 2.761 34 H LYS 5 H LYS 5 -19.213 8.648 7.589 35 HA LYS 5 HA LYS 5 -17.763 8.068 9.249 36 1HB LYS 5 2HB LYS 5 -18.155 5.612 7.767 37 2HB LYS 5 1HB LYS 5 -16.520 5.702 8.411 38 1HG LYS 5 2HG LYS 5 -17.669 6.326 10.632 39 2HG LYS 5 1HG LYS 5 -19.125 5.673 9.878 40 1HD LYS 5 2HD LYS 5 -16.532 4.153 10.057 41 2HD LYS 5 1HD LYS 5 -17.800 4.049 11.279 42 1HE LYS 5 2HE LYS 5 -19.158 3.664 8.911 43 2HE LYS 5 1HE LYS 5 -17.635 2.817 8.649 44 1HZ LYS 5 1HZ LYS 5 -18.152 1.253 10.151 45 2HZ LYS 5 2HZ LYS 5 -19.746 1.755 9.895 46 3HZ LYS 5 3HZ LYS 5 -18.878 2.345 11.220 47 H ALA 6 H ALA 6 -15.274 6.803 9.144 48 HA ALA 6 HA ALA 6 -13.082 7.219 8.711 49 1HB ALA 6 1HB ALA 6 -14.385 7.180 6.169 50 2HB ALA 6 2HB ALA 6 -12.745 6.686 6.588 51 3HB ALA 6 3HB ALA 6 -13.075 8.359 6.143 52 H VAL 7 H VAL 7 -11.513 8.882 8.623 53 HA VAL 7 HA VAL 7 -12.639 11.597 8.852 54 HB VAL 7 HB VAL 7 -10.279 10.428 10.333 55 1HG1 VAL 7 1HG1 VAL 7 -11.448 13.131 10.854 56 2HG1 VAL 7 2HG1 VAL 7 -10.242 12.911 9.587 57 3HG1 VAL 7 3HG1 VAL 7 -9.849 12.505 11.257 58 1HG2 VAL 7 1HG2 VAL 7 -11.590 10.494 12.285 59 2HG2 VAL 7 2HG2 VAL 7 -12.637 9.789 11.053 60 3HG2 VAL 7 3HG2 VAL 7 -12.834 11.481 11.516 61 H ILE 8 H ILE 8 -12.203 11.522 6.456 62 HA ILE 8 HA ILE 8 -9.907 11.246 5.127 63 HB ILE 8 HB ILE 8 -12.138 13.162 4.844 64 1HG1 ILE 8 2HG1 ILE 8 -11.616 12.245 2.378 65 2HG1 ILE 8 1HG1 ILE 8 -10.792 11.002 3.314 66 1HG2 ILE 8 1HG2 ILE 8 -9.423 13.856 3.948 67 2HG2 ILE 8 2HG2 ILE 8 -10.825 14.888 4.226 68 3HG2 ILE 8 3HG2 ILE 8 -10.680 13.986 2.719 69 1HD1 ILE 8 1HD1 ILE 8 -13.021 10.876 4.628 70 2HD1 ILE 8 2HD1 ILE 8 -12.895 10.112 3.045 71 3HD1 ILE 8 3HD1 ILE 8 -13.695 11.675 3.208 72 H LYS 9 H LYS 9 -7.948 12.159 4.925 73 HA LYS 9 HA LYS 9 -7.355 14.509 6.603 74 1HB LYS 9 2HB LYS 9 -5.543 12.128 6.160 75 2HB LYS 9 1HB LYS 9 -5.173 13.545 7.134 76 1HG LYS 9 2HG LYS 9 -7.643 12.170 7.892 77 2HG LYS 9 1HG LYS 9 -6.175 11.212 8.093 78 1HD LYS 9 2HD LYS 9 -5.311 12.620 9.683 79 2HD LYS 9 1HD LYS 9 -6.177 14.026 9.063 80 1HE LYS 9 2HE LYS 9 -8.295 12.781 9.857 81 2HE LYS 9 1HE LYS 9 -7.177 11.813 10.816 82 1HZ LYS 9 1HZ LYS 9 -6.834 14.687 11.005 83 2HZ LYS 9 2HZ LYS 9 -6.775 13.508 12.215 84 3HZ LYS 9 3HZ LYS 9 -8.268 14.084 11.667 85 H ASN 10 H ASN 10 -7.314 13.114 3.552 86 HA ASN 10 HA ASN 10 -6.104 15.395 2.356 87 1HB ASN 10 2HB ASN 10 -4.214 13.701 3.241 88 2HB ASN 10 1HB ASN 10 -4.540 12.967 1.673 89 1HD2 ASN 10 1HD2 ASN 10 -5.312 16.071 1.238 90 2HD2 ASN 10 2HD2 ASN 10 -3.802 16.697 0.682 91 H ALA 11 H ALA 11 -8.104 15.338 1.242 92 HA ALA 11 HA ALA 11 -8.256 13.227 -0.809 93 1HB ALA 11 1HB ALA 11 -10.811 14.069 -0.697 94 2HB ALA 11 2HB ALA 11 -10.328 14.306 0.983 95 3HB ALA 11 3HB ALA 11 -10.179 12.714 0.240 96 H ASP 12 H ASP 12 -7.615 14.071 -2.666 97 HA ASP 12 HA ASP 12 -8.513 16.778 -3.378 98 1HB ASP 12 2HB ASP 12 -6.048 15.230 -4.165 99 2HB ASP 12 1HB ASP 12 -6.592 16.639 -5.070 100 H MET 13 H MET 13 -10.036 14.327 -3.635 101 HA MET 13 HA MET 13 -10.271 14.174 -6.567 102 1HB MET 13 2HB MET 13 -9.729 12.003 -6.039 103 2HB MET 13 1HB MET 13 -10.443 12.100 -4.437 104 1HG MET 13 2HG MET 13 -12.591 11.687 -5.235 105 2HG MET 13 1HG MET 13 -12.151 12.088 -6.894 106 1HE MET 13 1HE MET 13 -11.252 8.234 -4.606 107 2HE MET 13 2HE MET 13 -11.638 9.821 -3.940 108 3HE MET 13 3HE MET 13 -10.003 9.475 -4.502 109 H SER 14 H SER 14 -12.564 13.467 -7.228 110 HA SER 14 HA SER 14 -14.367 15.468 -6.599 111 1HB SER 14 2HB SER 14 -14.656 12.763 -7.858 112 2HB SER 14 1HB SER 14 -16.098 13.714 -7.501 113 HG SER 14 HG SER 14 -14.608 15.424 -8.643 114 H GLU 15 H GLU 15 -15.894 15.781 -5.083 115 HA GLU 15 HA GLU 15 -15.811 14.644 -2.606 116 1HB GLU 15 2HB GLU 15 -17.517 16.456 -3.971 117 2HB GLU 15 1HB GLU 15 -18.543 15.298 -3.137 118 1HG GLU 15 2HG GLU 15 -16.336 16.879 -1.841 119 2HG GLU 15 1HG GLU 15 -18.044 17.313 -1.806 120 H GLU 16 H GLU 16 -18.480 13.936 -4.868 121 HA GLU 16 HA GLU 16 -19.600 11.812 -3.590 122 1HB GLU 16 2HB GLU 16 -19.904 10.950 -6.115 123 2HB GLU 16 1HB GLU 16 -20.823 12.290 -5.443 124 1HG GLU 16 2HG GLU 16 -20.103 13.488 -7.160 125 2HG GLU 16 1HG GLU 16 -18.521 13.486 -6.382 126 H MET 17 H MET 17 -16.564 11.883 -5.270 127 HA MET 17 HA MET 17 -16.268 9.038 -5.470 128 1HB MET 17 2HB MET 17 -14.517 11.405 -5.953 129 2HB MET 17 1HB MET 17 -13.754 9.836 -5.739 130 1HG MET 17 2HG MET 17 -15.922 9.553 -7.558 131 2HG MET 17 1HG MET 17 -14.929 10.918 -8.063 132 1HE MET 17 1HE MET 17 -14.578 7.668 -6.309 133 2HE MET 17 2HE MET 17 -13.107 6.930 -6.946 134 3HE MET 17 3HE MET 17 -14.643 6.703 -7.783 135 H GLN 18 H GLN 18 -14.876 11.547 -3.369 136 HA GLN 18 HA GLN 18 -13.355 9.855 -1.748 137 1HB GLN 18 2HB GLN 18 -14.349 11.991 -0.149 138 2HB GLN 18 1HB GLN 18 -12.757 11.818 -0.874 139 1HG GLN 18 2HG GLN 18 -14.358 12.633 -2.974 140 2HG GLN 18 1HG GLN 18 -14.949 13.562 -1.598 141 1HE2 GLN 18 1HE2 GLN 18 -11.931 12.600 -3.186 142 2HE2 GLN 18 2HE2 GLN 18 -11.108 14.093 -2.913 143 H GLN 19 H GLN 19 -16.760 10.499 -1.817 144 HA GLN 19 HA GLN 19 -17.285 9.421 0.795 145 1HB GLN 19 2HB GLN 19 -19.453 10.068 0.469 146 2HB GLN 19 1HB GLN 19 -18.703 11.089 -0.747 147 1HG GLN 19 2HG GLN 19 -19.217 9.333 -2.438 148 2HG GLN 19 1HG GLN 19 -20.113 8.468 -1.189 149 1HE2 GLN 19 1HE2 GLN 19 -20.491 10.411 -3.745 150 2HE2 GLN 19 2HE2 GLN 19 -21.957 11.217 -3.314 151 H ASP 20 H ASP 20 -17.587 8.346 -2.552 152 HA ASP 20 HA ASP 20 -18.582 5.766 -1.932 153 1HB ASP 20 2HB ASP 20 -17.043 6.604 -4.401 154 2HB ASP 20 1HB ASP 20 -18.109 5.212 -4.248 155 H SER 21 H SER 21 -15.456 7.222 -1.995 156 HA SER 21 HA SER 21 -13.893 4.858 -2.160 157 1HB SER 21 2HB SER 21 -12.872 7.002 -2.645 158 2HB SER 21 1HB SER 21 -13.262 7.597 -1.031 159 HG SER 21 HG SER 21 -11.927 5.606 -0.405 160 H VAL 22 H VAL 22 -14.870 6.919 0.575 161 HA VAL 22 HA VAL 22 -13.775 5.409 2.635 162 HB VAL 22 HB VAL 22 -16.391 6.918 2.744 163 1HG1 VAL 22 1HG1 VAL 22 -16.122 5.516 4.668 164 2HG1 VAL 22 2HG1 VAL 22 -15.783 7.180 5.145 165 3HG1 VAL 22 3HG1 VAL 22 -14.455 6.050 4.882 166 1HG2 VAL 22 1HG2 VAL 22 -14.274 8.138 1.892 167 2HG2 VAL 22 2HG2 VAL 22 -13.737 8.032 3.570 168 3HG2 VAL 22 3HG2 VAL 22 -15.230 8.884 3.175 169 H GLU 23 H GLU 23 -16.999 5.177 1.151 170 HA GLU 23 HA GLU 23 -17.988 3.096 2.743 171 1HB GLU 23 2HB GLU 23 -18.587 3.887 -0.112 172 2HB GLU 23 1HB GLU 23 -19.463 2.614 0.725 173 1HG GLU 23 2HG GLU 23 -19.591 4.722 2.486 174 2HG GLU 23 1HG GLU 23 -19.732 5.498 0.910 175 H CYS 24 H CYS 24 -15.934 3.089 -0.109 176 HA CYS 24 HA CYS 24 -16.022 0.289 -0.578 177 1HB CYS 24 2HB CYS 24 -15.264 1.665 -2.370 178 2HB CYS 24 1HB CYS 24 -14.053 2.443 -1.356 179 HG CYS 24 HG CYS 24 -13.002 0.617 -2.986 180 H ALA 25 H ALA 25 -14.065 2.379 1.447 181 HA ALA 25 HA ALA 25 -12.189 0.347 2.205 182 1HB ALA 25 1HB ALA 25 -12.373 3.117 2.533 183 2HB ALA 25 2HB ALA 25 -11.103 2.059 3.149 184 3HB ALA 25 3HB ALA 25 -12.491 2.454 4.163 185 H THR 26 H THR 26 -15.228 1.599 3.287 186 HA THR 26 HA THR 26 -15.347 0.249 5.786 187 HB THR 26 HB THR 26 -17.744 1.042 4.154 188 HG1 THR 26 1HG THR 26 -17.432 3.161 5.063 189 1HG2 THR 26 1HG2 THR 26 -18.751 1.583 6.210 190 2HG2 THR 26 2HG2 THR 26 -17.225 1.422 7.079 191 3HG2 THR 26 3HG2 THR 26 -18.012 -0.006 6.404 192 H GLN 27 H GLN 27 -16.322 -0.465 2.488 193 HA GLN 27 HA GLN 27 -17.814 -2.788 2.991 194 1HB GLN 27 2HB GLN 27 -16.702 -1.427 0.682 195 2HB GLN 27 1HB GLN 27 -16.582 -3.173 0.518 196 1HG GLN 27 2HG GLN 27 -18.930 -3.440 0.757 197 2HG GLN 27 1HG GLN 27 -19.132 -1.756 1.235 198 1HE2 GLN 27 1HE2 GLN 27 -18.183 -3.847 -1.433 199 2HE2 GLN 27 2HE2 GLN 27 -18.648 -2.758 -2.691 200 H ALA 28 H ALA 28 -14.385 -2.243 2.401 201 HA ALA 28 HA ALA 28 -13.724 -5.046 2.573 202 1HB ALA 28 1HB ALA 28 -12.313 -2.550 1.972 203 2HB ALA 28 2HB ALA 28 -12.077 -4.172 1.323 204 3HB ALA 28 3HB ALA 28 -11.351 -3.727 2.867 205 H LEU 29 H LEU 29 -14.265 -2.482 4.738 206 HA LEU 29 HA LEU 29 -12.605 -3.458 6.876 207 1HB LEU 29 2HB LEU 29 -14.653 -1.295 6.612 208 2HB LEU 29 1HB LEU 29 -14.049 -1.768 8.190 209 HG LEU 29 HG LEU 29 -12.038 -1.140 6.102 210 1HD1 LEU 29 1HD1 LEU 29 -13.651 0.962 7.526 211 2HD1 LEU 29 2HD1 LEU 29 -13.662 0.633 5.793 212 3HD1 LEU 29 3HD1 LEU 29 -12.200 1.247 6.564 213 1HD2 LEU 29 1HD2 LEU 29 -10.987 -0.062 8.132 214 2HD2 LEU 29 2HD2 LEU 29 -11.194 -1.811 8.204 215 3HD2 LEU 29 3HD2 LEU 29 -12.307 -0.755 9.073 216 H GLU 30 H GLU 30 -15.990 -3.618 5.944 217 HA GLU 30 HA GLU 30 -16.742 -5.023 8.367 218 1HB GLU 30 2HB GLU 30 -19.001 -5.021 7.387 219 2HB GLU 30 1HB GLU 30 -18.298 -3.411 7.427 220 1HG GLU 30 2HG GLU 30 -18.397 -3.194 5.217 221 2HG GLU 30 1HG GLU 30 -17.759 -4.815 4.941 222 H LYS 31 H LYS 31 -15.897 -5.756 5.082 223 HA LYS 31 HA LYS 31 -16.938 -8.456 5.205 224 1HB LYS 31 2HB LYS 31 -15.586 -6.785 3.140 225 2HB LYS 31 1HB LYS 31 -15.501 -8.534 2.979 226 1HG LYS 31 2HG LYS 31 -17.526 -8.570 2.099 227 2HG LYS 31 1HG LYS 31 -18.192 -7.820 3.551 228 1HD LYS 31 2HD LYS 31 -17.917 -5.649 2.681 229 2HD LYS 31 1HD LYS 31 -16.845 -6.213 1.398 230 1HE LYS 31 2HE LYS 31 -19.811 -6.654 1.656 231 2HE LYS 31 1HE LYS 31 -18.959 -5.752 0.404 232 1HZ LYS 31 1HZ LYS 31 -18.060 -7.744 -0.473 233 2HZ LYS 31 2HZ LYS 31 -19.715 -8.019 -0.257 234 3HZ LYS 31 3HZ LYS 31 -18.601 -8.663 0.841 235 H TYR 32 H TYR 32 -13.986 -6.806 5.865 236 HA TYR 32 HA TYR 32 -12.768 -9.333 6.663 237 1HB TYR 32 2HB TYR 32 -10.946 -7.443 5.274 238 2HB TYR 32 1HB TYR 32 -10.903 -9.201 5.346 239 HD1 TYR 32 1HD TYR 32 -13.076 -6.497 3.949 240 HD2 TYR 32 2HD TYR 32 -11.338 -10.340 3.392 241 HE1 TYR 32 1HE TYR 32 -14.048 -6.603 1.694 242 HE2 TYR 32 2HE TYR 32 -12.305 -10.456 1.136 243 HH TYR 32 HH TYR 32 -14.697 -8.869 0.073 244 H ASN 33 H ASN 33 -10.229 -8.260 7.239 245 HA ASN 33 HA ASN 33 -10.436 -5.900 8.814 246 1HB ASN 33 2HB ASN 33 -11.628 -7.819 10.144 247 2HB ASN 33 1HB ASN 33 -9.983 -8.346 10.489 248 1HD2 ASN 33 1HD2 ASN 33 -12.483 -6.504 11.568 249 2HD2 ASN 33 2HD2 ASN 33 -11.622 -5.445 12.627 250 H ILE 34 H ILE 34 -8.760 -7.192 6.791 251 HA ILE 34 HA ILE 34 -6.188 -7.193 8.235 252 HB ILE 34 HB ILE 34 -6.486 -8.438 5.533 253 1HG1 ILE 34 2HG1 ILE 34 -8.235 -9.539 6.734 254 2HG1 ILE 34 1HG1 ILE 34 -6.860 -10.637 6.687 255 1HG2 ILE 34 1HG2 ILE 34 -4.254 -8.073 6.466 256 2HG2 ILE 34 2HG2 ILE 34 -4.610 -9.790 6.270 257 3HG2 ILE 34 3HG2 ILE 34 -4.688 -9.049 7.869 258 1HD1 ILE 34 1HD1 ILE 34 -6.599 -10.602 8.907 259 2HD1 ILE 34 2HD1 ILE 34 -8.280 -10.067 8.897 260 3HD1 ILE 34 3HD1 ILE 34 -6.978 -8.884 9.032 261 H GLU 35 H GLU 35 -5.447 -5.150 7.996 262 HA GLU 35 HA GLU 35 -5.863 -3.157 6.348 263 1HB GLU 35 2HB GLU 35 -2.972 -3.807 6.427 264 2HB GLU 35 1HB GLU 35 -3.801 -2.319 6.859 265 1HG GLU 35 2HG GLU 35 -2.989 -3.069 8.883 266 2HG GLU 35 1HG GLU 35 -4.657 -3.643 8.894 267 H LYS 36 H LYS 36 -3.126 -5.164 5.351 268 HA LYS 36 HA LYS 36 -2.926 -4.476 2.751 269 1HB LYS 36 2HB LYS 36 -2.575 -7.251 2.673 270 2HB LYS 36 1HB LYS 36 -1.337 -6.036 2.953 271 1HG LYS 36 2HG LYS 36 -1.241 -6.441 5.181 272 2HG LYS 36 1HG LYS 36 -2.949 -6.872 5.289 273 1HD LYS 36 2HD LYS 36 -1.521 -8.813 5.688 274 2HD LYS 36 1HD LYS 36 -2.479 -9.019 4.219 275 1HE LYS 36 2HE LYS 36 -0.662 -9.031 2.890 276 2HE LYS 36 1HE LYS 36 0.145 -7.767 3.816 277 1HZ LYS 36 1HZ LYS 36 0.857 -9.361 5.416 278 2HZ LYS 36 2HZ LYS 36 1.266 -9.960 3.888 279 3HZ LYS 36 3HZ LYS 36 -0.071 -10.588 4.710 280 H ASP 37 H ASP 37 -5.217 -6.837 4.075 281 HA ASP 37 HA ASP 37 -6.299 -7.665 1.601 282 1HB ASP 37 2HB ASP 37 -6.831 -8.105 4.407 283 2HB ASP 37 1HB ASP 37 -8.339 -7.879 3.525 284 H ILE 38 H ILE 38 -7.666 -5.444 4.038 285 HA ILE 38 HA ILE 38 -9.875 -4.555 2.697 286 HB ILE 38 HB ILE 38 -8.137 -2.597 4.172 287 1HG1 ILE 38 2HG1 ILE 38 -10.000 -4.459 5.610 288 2HG1 ILE 38 1HG1 ILE 38 -8.343 -4.955 5.278 289 1HG2 ILE 38 1HG2 ILE 38 -10.590 -2.330 3.067 290 2HG2 ILE 38 2HG2 ILE 38 -10.019 -1.397 4.450 291 3HG2 ILE 38 3HG2 ILE 38 -11.018 -2.827 4.705 292 1HD1 ILE 38 1HD1 ILE 38 -7.522 -3.011 6.503 293 2HD1 ILE 38 2HD1 ILE 38 -8.554 -4.029 7.506 294 3HD1 ILE 38 3HD1 ILE 38 -9.184 -2.523 6.839 295 H ALA 39 H ALA 39 -6.581 -3.240 2.449 296 HA ALA 39 HA ALA 39 -7.130 -1.208 0.605 297 1HB ALA 39 1HB ALA 39 -4.678 -2.700 1.404 298 2HB ALA 39 2HB ALA 39 -5.050 -0.982 1.546 299 3HB ALA 39 3HB ALA 39 -4.620 -1.665 -0.022 300 H ALA 40 H ALA 40 -6.352 -4.616 0.143 301 HA ALA 40 HA ALA 40 -5.975 -4.597 -2.629 302 1HB ALA 40 1HB ALA 40 -6.931 -6.748 -0.756 303 2HB ALA 40 2HB ALA 40 -5.317 -6.526 -1.431 304 3HB ALA 40 3HB ALA 40 -6.646 -7.029 -2.475 305 H HIS 41 H HIS 41 -8.878 -5.813 -0.956 306 HA HIS 41 HA HIS 41 -10.553 -5.949 -3.136 307 1HB HIS 41 2HB HIS 41 -11.966 -5.002 -0.768 308 2HB HIS 41 1HB HIS 41 -12.112 -6.532 -1.626 309 HD1 HIS 41 1HD HIS 41 -11.623 -5.596 1.610 310 HD2 HIS 41 2HD HIS 41 -9.339 -7.964 -0.927 311 HE1 HIS 41 1HE HIS 41 -10.211 -7.027 3.119 312 HE2 HIS 41 2HE HIS 41 -8.755 -8.369 1.560 313 H ILE 42 H ILE 42 -10.147 -3.200 -0.915 314 HA ILE 42 HA ILE 42 -11.973 -1.446 -1.980 315 HB ILE 42 HB ILE 42 -9.234 -0.819 -0.876 316 1HG1 ILE 42 2HG1 ILE 42 -11.956 -0.664 0.439 317 2HG1 ILE 42 1HG1 ILE 42 -10.845 -2.018 0.625 318 1HG2 ILE 42 1HG2 ILE 42 -10.330 0.966 -2.334 319 2HG2 ILE 42 2HG2 ILE 42 -9.831 1.440 -0.710 320 3HG2 ILE 42 3HG2 ILE 42 -11.530 1.107 -1.049 321 1HD1 ILE 42 1HD1 ILE 42 -9.199 -0.529 1.633 322 2HD1 ILE 42 2HD1 ILE 42 -10.723 -0.512 2.520 323 3HD1 ILE 42 3HD1 ILE 42 -10.312 0.827 1.448 324 H LYS 43 H LYS 43 -8.493 -1.299 -2.765 325 HA LYS 43 HA LYS 43 -8.671 0.408 -4.921 326 1HB LYS 43 2HB LYS 43 -6.515 -0.065 -4.088 327 2HB LYS 43 1HB LYS 43 -6.726 -1.799 -4.289 328 1HG LYS 43 2HG LYS 43 -6.744 0.012 -6.667 329 2HG LYS 43 1HG LYS 43 -5.222 -0.506 -5.940 330 1HD LYS 43 2HD LYS 43 -5.513 -2.692 -6.559 331 2HD LYS 43 1HD LYS 43 -7.274 -2.576 -6.538 332 1HE LYS 43 2HE LYS 43 -7.303 -1.421 -8.618 333 2HE LYS 43 1HE LYS 43 -5.555 -1.201 -8.590 334 1HZ LYS 43 1HZ LYS 43 -7.050 -3.366 -9.614 335 2HZ LYS 43 2HZ LYS 43 -6.011 -3.926 -8.402 336 3HZ LYS 43 3HZ LYS 43 -5.387 -3.078 -9.725 337 H LYS 44 H LYS 44 -9.026 -3.107 -4.867 338 HA LYS 44 HA LYS 44 -9.089 -3.618 -7.589 339 1HB LYS 44 2HB LYS 44 -9.062 -5.401 -5.932 340 2HB LYS 44 1HB LYS 44 -10.669 -4.947 -5.384 341 1HG LYS 44 2HG LYS 44 -11.493 -6.420 -6.816 342 2HG LYS 44 1HG LYS 44 -10.933 -5.379 -8.127 343 1HD LYS 44 2HD LYS 44 -9.875 -7.323 -8.697 344 2HD LYS 44 1HD LYS 44 -8.644 -6.609 -7.653 345 1HE LYS 44 2HE LYS 44 -9.465 -7.929 -5.771 346 2HE LYS 44 1HE LYS 44 -10.716 -8.627 -6.800 347 1HZ LYS 44 1HZ LYS 44 -7.783 -8.989 -7.051 348 2HZ LYS 44 2HZ LYS 44 -8.894 -9.506 -8.217 349 3HZ LYS 44 3HZ LYS 44 -8.933 -10.169 -6.661 350 H GLU 45 H GLU 45 -11.880 -3.054 -5.464 351 HA GLU 45 HA GLU 45 -13.858 -3.008 -7.404 352 1HB GLU 45 2HB GLU 45 -13.587 -1.743 -4.703 353 2HB GLU 45 1HB GLU 45 -14.968 -1.332 -5.713 354 1HG GLU 45 2HG GLU 45 -15.989 -3.253 -5.273 355 2HG GLU 45 1HG GLU 45 -14.528 -4.193 -5.573 356 H PHE 46 H PHE 46 -12.124 -0.220 -6.019 357 HA PHE 46 HA PHE 46 -13.240 1.787 -7.552 358 1HB PHE 46 2HB PHE 46 -10.789 1.433 -5.986 359 2HB PHE 46 1HB PHE 46 -10.612 2.589 -7.302 360 HD1 PHE 46 1HD PHE 46 -12.801 1.759 -4.414 361 HD2 PHE 46 2HD PHE 46 -11.329 4.770 -7.035 362 HE1 PHE 46 1HE PHE 46 -13.892 3.486 -3.038 363 HE2 PHE 46 2HE PHE 46 -12.414 6.501 -5.666 364 HZ PHE 46 HZ PHE 46 -13.696 5.862 -3.662 365 H ASP 47 H ASP 47 -10.407 -0.220 -8.285 366 HA ASP 47 HA ASP 47 -9.923 0.996 -10.817 367 1HB ASP 47 2HB ASP 47 -7.971 -0.057 -10.540 368 2HB ASP 47 1HB ASP 47 -8.613 -0.872 -9.119 369 H LYS 48 H LYS 48 -12.233 -1.230 -9.763 370 HA LYS 48 HA LYS 48 -12.724 -2.079 -12.537 371 1HB LYS 48 2HB LYS 48 -12.530 -3.645 -10.073 372 2HB LYS 48 1HB LYS 48 -13.988 -3.975 -10.997 373 1HG LYS 48 2HG LYS 48 -11.275 -3.994 -12.275 374 2HG LYS 48 1HG LYS 48 -11.939 -5.414 -11.461 375 1HD LYS 48 2HD LYS 48 -13.190 -3.937 -13.778 376 2HD LYS 48 1HD LYS 48 -12.381 -5.504 -13.856 377 1HE LYS 48 2HE LYS 48 -14.835 -4.919 -12.204 378 2HE LYS 48 1HE LYS 48 -14.858 -5.660 -13.803 379 1HZ LYS 48 1HZ LYS 48 -13.891 -6.773 -11.258 380 2HZ LYS 48 2HZ LYS 48 -13.242 -7.339 -12.714 381 3HZ LYS 48 3HZ LYS 48 -14.902 -7.476 -12.418 382 H LYS 49 H LYS 49 -13.771 0.085 -10.546 383 HA LYS 49 HA LYS 49 -16.600 -0.374 -11.187 384 1HB LYS 49 2HB LYS 49 -15.960 -0.705 -8.723 385 2HB LYS 49 1HB LYS 49 -15.721 1.035 -8.678 386 1HG LYS 49 2HG LYS 49 -18.145 1.058 -9.703 387 2HG LYS 49 1HG LYS 49 -18.230 -0.530 -8.940 388 1HD LYS 49 2HD LYS 49 -17.530 2.065 -7.569 389 2HD LYS 49 1HD LYS 49 -19.067 1.208 -7.445 390 1HE LYS 49 2HE LYS 49 -16.682 -0.393 -6.816 391 2HE LYS 49 1HE LYS 49 -17.010 0.932 -5.701 392 1HZ LYS 49 1HZ LYS 49 -19.199 -0.868 -6.477 393 2HZ LYS 49 2HZ LYS 49 -18.991 0.014 -5.048 394 3HZ LYS 49 3HZ LYS 49 -18.078 -1.384 -5.318 395 H TYR 50 H TYR 50 -13.965 1.873 -10.749 396 HA TYR 50 HA TYR 50 -15.633 4.030 -11.854 397 1HB TYR 50 2HB TYR 50 -12.997 4.289 -10.393 398 2HB TYR 50 1HB TYR 50 -14.063 5.602 -10.882 399 HD1 TYR 50 1HD TYR 50 -16.277 5.868 -9.748 400 HD2 TYR 50 2HD TYR 50 -13.357 3.098 -8.373 401 HE1 TYR 50 1HE TYR 50 -17.431 5.737 -7.581 402 HE2 TYR 50 2HE TYR 50 -14.503 2.957 -6.203 403 HH TYR 50 HH TYR 50 -16.033 4.162 -4.844 404 H ASN 51 H ASN 51 -12.254 2.885 -11.947 405 HA ASN 51 HA ASN 51 -11.895 2.415 -14.572 406 1HB ASN 51 2HB ASN 51 -12.593 5.130 -14.327 407 2HB ASN 51 1HB ASN 51 -10.864 5.113 -14.661 408 1HD2 ASN 51 1HD2 ASN 51 -11.396 2.433 -16.042 409 2HD2 ASN 51 2HD2 ASN 51 -11.949 2.897 -17.612 410 HA PRO 52 HA PRO 52 -8.082 1.606 -12.321 411 1HB PRO 52 2HB PRO 52 -6.826 0.435 -14.494 412 2HB PRO 52 1HB PRO 52 -7.851 -0.414 -13.334 413 1HG PRO 52 2HG PRO 52 -8.529 0.653 -16.039 414 2HG PRO 52 1HG PRO 52 -9.034 -0.864 -15.271 415 1HD PRO 52 2HD PRO 52 -10.690 1.234 -15.419 416 2HD PRO 52 1HD PRO 52 -10.661 0.185 -13.986 417 H THR 53 H THR 53 -5.348 3.538 -13.588 418 HA THR 53 HA THR 53 -6.282 1.103 -12.242 419 HB THR 53 HB THR 53 -3.615 2.000 -13.243 420 HG1 THR 53 1HG THR 53 -3.784 -0.551 -13.334 421 1HG2 THR 53 1HG2 THR 53 -3.762 -0.148 -11.161 422 2HG2 THR 53 2HG2 THR 53 -3.369 1.523 -10.754 423 3HG2 THR 53 3HG2 THR 53 -2.338 0.619 -11.864 424 H TRP 54 H TRP 54 -6.652 1.186 -10.141 425 HA TRP 54 HA TRP 54 -5.839 3.581 -8.680 426 1HB TRP 54 2HB TRP 54 -7.801 1.406 -7.937 427 2HB TRP 54 1HB TRP 54 -7.483 2.857 -6.991 428 HD1 TRP 54 HD TRP 54 -8.766 1.946 -10.536 429 HE1 TRP 54 1HE TRP 54 -10.493 3.719 -11.227 430 HE3 TRP 54 3HE TRP 54 -8.429 5.032 -6.474 431 HZ2 TRP 54 2HZ TRP 54 -11.575 6.116 -10.186 432 HZ3 TRP 54 3HZ TRP 54 -9.842 7.045 -6.400 433 HH2 TRP 54 HH TRP 54 -11.381 7.576 -8.218 434 H HIS 55 H HIS 55 -5.154 3.396 -6.467 435 HA HIS 55 HA HIS 55 -3.941 0.923 -5.584 436 1HB HIS 55 2HB HIS 55 -2.041 3.186 -5.510 437 2HB HIS 55 1HB HIS 55 -1.747 1.477 -5.809 438 HD1 HIS 55 1HD HIS 55 -0.742 1.200 -8.039 439 HD2 HIS 55 2HD HIS 55 -3.619 4.195 -8.013 440 HE1 HIS 55 1HE HIS 55 -0.867 2.031 -10.408 441 HE2 HIS 55 2HE HIS 55 -2.677 3.782 -10.387 442 H CYS 56 H CYS 56 -4.726 0.832 -3.564 443 HA CYS 56 HA CYS 56 -4.761 3.336 -2.020 444 1HB CYS 56 2HB CYS 56 -6.777 2.694 -0.972 445 2HB CYS 56 1HB CYS 56 -7.002 2.359 -2.686 446 HG CYS 56 HG CYS 56 -7.689 0.392 -0.832 447 H ILE 57 H ILE 57 -4.379 3.276 0.186 448 HA ILE 57 HA ILE 57 -3.057 0.843 1.202 449 HB ILE 57 HB ILE 57 -2.196 3.658 1.865 450 1HG1 ILE 57 2HG1 ILE 57 -1.654 3.359 -0.442 451 2HG1 ILE 57 1HG1 ILE 57 -0.169 3.095 0.463 452 1HG2 ILE 57 1HG2 ILE 57 -0.939 2.733 3.440 453 2HG2 ILE 57 2HG2 ILE 57 -0.215 1.629 2.271 454 3HG2 ILE 57 3HG2 ILE 57 -1.707 1.183 3.097 455 1HD1 ILE 57 1HD1 ILE 57 -1.423 1.392 -1.406 456 2HD1 ILE 57 2HD1 ILE 57 -1.481 0.599 0.169 457 3HD1 ILE 57 3HD1 ILE 57 0.065 1.124 -0.497 458 H VAL 58 H VAL 58 -4.123 0.070 2.904 459 HA VAL 58 HA VAL 58 -5.629 1.958 4.592 460 HB VAL 58 HB VAL 58 -7.176 0.470 3.588 461 1HG1 VAL 58 1HG1 VAL 58 -5.739 -1.944 4.604 462 2HG1 VAL 58 2HG1 VAL 58 -5.285 -1.212 3.064 463 3HG1 VAL 58 3HG1 VAL 58 -6.927 -1.810 3.306 464 1HG2 VAL 58 1HG2 VAL 58 -7.024 0.761 6.246 465 2HG2 VAL 58 2HG2 VAL 58 -6.903 -0.996 6.141 466 3HG2 VAL 58 3HG2 VAL 58 -8.297 -0.164 5.450 467 H GLY 59 H GLY 59 -4.930 2.237 6.610 468 1HA GLY 59 2HA GLY 59 -3.796 0.036 8.107 469 2HA GLY 59 1HA GLY 59 -2.659 1.322 7.731 470 H ARG 60 H ARG 60 -2.985 0.873 10.309 471 HA ARG 60 HA ARG 60 -4.561 3.185 11.189 472 1HB ARG 60 2HB ARG 60 -5.052 1.712 13.287 473 2HB ARG 60 1HB ARG 60 -6.047 1.550 11.846 474 1HG ARG 60 2HG ARG 60 -4.511 -0.355 11.179 475 2HG ARG 60 1HG ARG 60 -3.880 -0.280 12.825 476 1HD ARG 60 2HD ARG 60 -6.588 -0.292 13.232 477 2HD ARG 60 1HD ARG 60 -6.415 -1.341 11.824 478 HE ARG 60 HE ARG 60 -5.656 -1.936 14.510 479 1HH1 ARG 60 1HH1 ARG 60 -4.864 -2.534 11.173 480 2HH1 ARG 60 2HH1 ARG 60 -4.123 -4.068 11.489 481 1HH2 ARG 60 1HH2 ARG 60 -4.682 -3.951 14.938 482 2HH2 ARG 60 2HH2 ARG 60 -4.020 -4.874 13.631 483 H ASN 61 H ASN 61 -1.790 3.092 10.743 484 HA ASN 61 HA ASN 61 -0.742 4.312 12.943 485 1HB ASN 61 2HB ASN 61 -1.073 1.603 13.553 486 2HB ASN 61 1HB ASN 61 0.648 1.782 13.222 487 1HD2 ASN 61 1HD2 ASN 61 -1.589 4.130 14.603 488 2HD2 ASN 61 2HD2 ASN 61 -0.784 4.270 16.126 489 H PHE 62 H PHE 62 -0.620 4.075 10.023 490 HA PHE 62 HA PHE 62 2.299 3.830 9.701 491 1HB PHE 62 2HB PHE 62 2.005 3.075 7.495 492 2HB PHE 62 1HB PHE 62 0.769 2.220 8.412 493 HD1 PHE 62 1HD PHE 62 1.414 4.848 5.951 494 HD2 PHE 62 2HD PHE 62 -1.571 2.703 8.096 495 HE1 PHE 62 1HE PHE 62 -0.305 5.718 4.423 496 HE2 PHE 62 2HE PHE 62 -3.295 3.569 6.570 497 HZ PHE 62 HZ PHE 62 -2.666 5.080 4.730 498 H GLY 63 H GLY 63 2.718 5.047 7.364 499 1HA GLY 63 2HA GLY 63 1.492 7.706 7.470 500 2HA GLY 63 1HA GLY 63 3.235 7.595 7.679 501 H SER 64 H SER 64 0.652 7.665 5.453 502 HA SER 64 HA SER 64 2.198 6.638 3.238 503 1HB SER 64 2HB SER 64 0.192 7.226 1.884 504 2HB SER 64 1HB SER 64 -0.176 6.175 3.252 505 HG SER 64 HG SER 64 -1.019 8.723 2.729 506 H TYR 65 H TYR 65 3.154 7.754 1.643 507 HA TYR 65 HA TYR 65 2.782 10.605 1.350 508 1HB TYR 65 2HB TYR 65 4.500 10.419 3.144 509 2HB TYR 65 1HB TYR 65 5.523 9.518 2.031 510 HD1 TYR 65 1HD TYR 65 6.608 10.642 0.152 511 HD2 TYR 65 2HD TYR 65 4.205 12.808 2.916 512 HE1 TYR 65 1HE TYR 65 7.558 12.751 -0.681 513 HE2 TYR 65 2HE TYR 65 5.148 14.923 2.088 514 HH TYR 65 HH TYR 65 6.901 15.811 0.880 515 H VAL 66 H VAL 66 2.063 10.075 -0.707 516 HA VAL 66 HA VAL 66 4.191 9.326 -2.589 517 HB VAL 66 HB VAL 66 2.757 7.885 -3.835 518 1HG1 VAL 66 1HG1 VAL 66 2.204 6.136 -2.162 519 2HG1 VAL 66 2HG1 VAL 66 2.539 7.305 -0.884 520 3HG1 VAL 66 3HG1 VAL 66 3.828 6.799 -1.975 521 1HG2 VAL 66 1HG2 VAL 66 0.416 7.527 -2.430 522 2HG2 VAL 66 2HG2 VAL 66 0.596 8.451 -3.922 523 3HG2 VAL 66 3HG2 VAL 66 0.662 9.271 -2.362 524 H THR 67 H THR 67 2.575 9.403 -4.887 525 HA THR 67 HA THR 67 2.098 12.288 -5.064 526 HB THR 67 HB THR 67 3.663 10.860 -6.637 527 HG1 THR 67 1HG THR 67 3.087 13.130 -6.803 528 1HG2 THR 67 1HG2 THR 67 2.361 10.520 -8.821 529 2HG2 THR 67 2HG2 THR 67 0.943 10.391 -7.781 530 3HG2 THR 67 3HG2 THR 67 2.284 9.263 -7.586 531 H HIS 68 H HIS 68 0.516 12.232 -7.406 532 HA HIS 68 HA HIS 68 -1.814 10.641 -7.060 533 1HB HIS 68 2HB HIS 68 -3.368 12.250 -6.241 534 2HB HIS 68 1HB HIS 68 -1.995 12.282 -5.139 535 HD1 HIS 68 1HD HIS 68 -0.516 14.405 -5.144 536 HD2 HIS 68 2HD HIS 68 -3.775 14.591 -7.716 537 HE1 HIS 68 1HE HIS 68 -0.704 16.821 -5.818 538 HE2 HIS 68 2HE HIS 68 -2.666 16.905 -7.397 539 H GLU 69 H GLU 69 -2.606 10.417 -9.038 540 HA GLU 69 HA GLU 69 -2.510 12.710 -10.878 541 1HB GLU 69 2HB GLU 69 -2.285 10.161 -12.251 542 2HB GLU 69 1HB GLU 69 -1.304 11.610 -12.414 543 1HG GLU 69 2HG GLU 69 -0.602 10.446 -9.955 544 2HG GLU 69 1HG GLU 69 -0.678 9.137 -11.134 545 H THR 70 H THR 70 -4.084 12.618 -12.616 546 HA THR 70 HA THR 70 -6.126 12.177 -13.542 547 HB THR 70 HB THR 70 -6.681 9.895 -11.709 548 HG1 THR 70 1HG THR 70 -4.663 9.896 -13.696 549 1HG2 THR 70 1HG2 THR 70 -7.955 10.718 -13.895 550 2HG2 THR 70 2HG2 THR 70 -7.868 9.023 -13.415 551 3HG2 THR 70 3HG2 THR 70 -6.772 9.647 -14.646 552 H LYS 71 H LYS 71 -6.955 10.788 -10.416 553 HA LYS 71 HA LYS 71 -8.713 13.100 -9.939 554 1HB LYS 71 2HB LYS 71 -8.969 10.282 -8.872 555 2HB LYS 71 1HB LYS 71 -10.105 11.597 -8.603 556 1HG LYS 71 2HG LYS 71 -10.096 11.598 -11.269 557 2HG LYS 71 1HG LYS 71 -9.685 9.906 -10.988 558 1HD LYS 71 2HD LYS 71 -11.682 9.491 -9.843 559 2HD LYS 71 1HD LYS 71 -11.983 11.208 -9.565 560 1HE LYS 71 2HE LYS 71 -12.055 11.301 -12.182 561 2HE LYS 71 1HE LYS 71 -12.399 9.579 -12.029 562 1HZ LYS 71 1HZ LYS 71 -14.360 10.002 -10.869 563 2HZ LYS 71 2HZ LYS 71 -14.363 11.162 -12.100 564 3HZ LYS 71 3HZ LYS 71 -13.937 11.603 -10.524 565 H HIS 72 H HIS 72 -5.790 12.407 -9.138 566 HA HIS 72 HA HIS 72 -4.435 13.038 -7.417 567 1HB HIS 72 2HB HIS 72 -6.981 13.929 -6.045 568 2HB HIS 72 1HB HIS 72 -5.341 14.360 -5.571 569 HD1 HIS 72 1HD HIS 72 -5.243 16.805 -6.041 570 HD2 HIS 72 2HD HIS 72 -6.872 14.662 -9.207 571 HE1 HIS 72 1HE HIS 72 -5.538 18.472 -7.900 572 HE2 HIS 72 2HE HIS 72 -6.461 17.138 -9.828 573 H PHE 73 H PHE 73 -7.162 12.348 -5.302 574 HA PHE 73 HA PHE 73 -7.021 9.706 -4.807 575 1HB PHE 73 2HB PHE 73 -5.385 9.397 -2.997 576 2HB PHE 73 1HB PHE 73 -4.599 9.884 -4.493 577 HD1 PHE 73 1HD PHE 73 -2.859 11.341 -4.227 578 HD2 PHE 73 2HD PHE 73 -6.170 11.592 -1.565 579 HE1 PHE 73 1HE PHE 73 -1.760 13.195 -3.041 580 HE2 PHE 73 2HE PHE 73 -5.077 13.448 -0.377 581 HZ PHE 73 HZ PHE 73 -2.871 14.253 -1.114 582 H ILE 74 H ILE 74 -7.013 9.430 -2.059 583 HA ILE 74 HA ILE 74 -8.410 11.568 -0.784 584 HB ILE 74 HB ILE 74 -10.188 10.688 -2.268 585 1HG1 ILE 74 2HG1 ILE 74 -10.261 11.168 0.564 586 2HG1 ILE 74 1HG1 ILE 74 -11.459 11.580 -0.652 587 1HG2 ILE 74 1HG2 ILE 74 -11.028 8.517 -2.123 588 2HG2 ILE 74 2HG2 ILE 74 -10.227 8.207 -0.583 589 3HG2 ILE 74 3HG2 ILE 74 -9.278 8.299 -2.067 590 1HD1 ILE 74 1HD1 ILE 74 -11.590 9.653 1.446 591 2HD1 ILE 74 2HD1 ILE 74 -11.789 8.844 -0.108 592 3HD1 ILE 74 3HD1 ILE 74 -12.852 10.180 0.332 593 H TYR 75 H TYR 75 -7.499 11.422 1.138 594 HA TYR 75 HA TYR 75 -7.065 8.790 2.350 595 1HB TYR 75 2HB TYR 75 -6.003 11.503 3.178 596 2HB TYR 75 1HB TYR 75 -5.581 9.965 3.919 597 HD1 TYR 75 1HD TYR 75 -5.948 9.873 0.324 598 HD2 TYR 75 2HD TYR 75 -3.214 10.681 3.484 599 HE1 TYR 75 1HE TYR 75 -4.071 9.636 -1.246 600 HE2 TYR 75 2HE TYR 75 -1.332 10.446 1.923 601 HH TYR 75 HH TYR 75 -1.496 10.661 -1.206 602 H PHE 76 H PHE 76 -8.062 8.195 4.224 603 HA PHE 76 HA PHE 76 -9.494 10.092 5.849 604 1HB PHE 76 2HB PHE 76 -11.655 8.635 5.520 605 2HB PHE 76 1HB PHE 76 -11.286 9.933 4.388 606 HD1 PHE 76 1HD PHE 76 -9.799 9.190 2.335 607 HD2 PHE 76 2HD PHE 76 -12.215 6.578 4.669 608 HE1 PHE 76 1HE PHE 76 -9.855 7.584 0.473 609 HE2 PHE 76 2HE PHE 76 -12.274 4.967 2.810 610 HZ PHE 76 HZ PHE 76 -11.093 5.469 0.708 611 H TYR 77 H TYR 77 -9.605 9.397 7.900 612 HA TYR 77 HA TYR 77 -8.739 6.650 8.436 613 1HB TYR 77 2HB TYR 77 -7.359 8.114 9.627 614 2HB TYR 77 1HB TYR 77 -8.690 9.192 10.035 615 HD1 TYR 77 1HD TYR 77 -10.032 8.820 11.981 616 HD2 TYR 77 2HD TYR 77 -7.065 5.986 10.856 617 HE1 TYR 77 1HE TYR 77 -10.256 7.724 14.171 618 HE2 TYR 77 2HE TYR 77 -7.280 4.882 13.043 619 HH TYR 77 HH TYR 77 -8.396 4.809 14.970 620 H LEU 78 H LEU 78 -10.466 5.336 8.427 621 HA LEU 78 HA LEU 78 -13.083 5.971 9.109 622 1HB LEU 78 2HB LEU 78 -11.536 3.417 8.985 623 2HB LEU 78 1HB LEU 78 -13.160 3.402 9.644 624 HG LEU 78 HG LEU 78 -13.035 2.783 7.238 625 1HD1 LEU 78 1HD1 LEU 78 -14.620 5.133 6.904 626 2HD1 LEU 78 2HD1 LEU 78 -14.835 4.511 8.540 627 3HD1 LEU 78 3HD1 LEU 78 -15.139 3.466 7.153 628 1HD2 LEU 78 1HD2 LEU 78 -12.813 4.809 5.681 629 2HD2 LEU 78 2HD2 LEU 78 -11.336 4.101 6.334 630 3HD2 LEU 78 3HD2 LEU 78 -11.986 5.584 7.032 631 H GLY 79 H GLY 79 -14.300 4.888 10.976 632 1HA GLY 79 2HA GLY 79 -13.975 6.045 13.333 633 2HA GLY 79 1HA GLY 79 -14.499 4.371 13.248 634 H GLN 80 H GLN 80 -11.947 3.393 12.231 635 HA GLN 80 HA GLN 80 -9.943 4.073 14.177 636 1HB GLN 80 2HB GLN 80 -11.827 2.184 14.957 637 2HB GLN 80 1HB GLN 80 -10.457 1.220 14.425 638 1HG GLN 80 2HG GLN 80 -10.133 1.555 16.717 639 2HG GLN 80 1HG GLN 80 -9.026 2.673 15.921 640 1HE2 GLN 80 1HE2 GLN 80 -12.411 2.633 17.001 641 2HE2 GLN 80 2HE2 GLN 80 -12.370 4.193 17.744 642 H VAL 81 H VAL 81 -9.987 4.085 11.370 643 HA VAL 81 HA VAL 81 -7.694 2.412 10.830 644 HB VAL 81 HB VAL 81 -10.255 2.042 9.273 645 1HG1 VAL 81 1HG1 VAL 81 -7.741 0.538 8.695 646 2HG1 VAL 81 2HG1 VAL 81 -7.971 2.147 8.011 647 3HG1 VAL 81 3HG1 VAL 81 -9.122 0.862 7.649 648 1HG2 VAL 81 1HG2 VAL 81 -8.904 0.529 11.382 649 2HG2 VAL 81 2HG2 VAL 81 -9.344 -0.436 9.972 650 3HG2 VAL 81 3HG2 VAL 81 -10.581 0.473 10.840 651 H ALA 82 H ALA 82 -6.819 2.850 8.623 652 HA ALA 82 HA ALA 82 -7.545 5.550 7.698 653 1HB ALA 82 1HB ALA 82 -5.232 6.097 7.379 654 2HB ALA 82 2HB ALA 82 -4.736 4.466 7.831 655 3HB ALA 82 3HB ALA 82 -5.447 5.538 9.038 656 H ILE 83 H ILE 83 -7.571 5.879 5.507 657 HA ILE 83 HA ILE 83 -6.786 3.624 3.796 658 HB ILE 83 HB ILE 83 -9.152 5.040 2.829 659 1HG1 ILE 83 2HG1 ILE 83 -9.566 4.973 5.320 660 2HG1 ILE 83 1HG1 ILE 83 -10.761 4.123 4.347 661 1HG2 ILE 83 1HG2 ILE 83 -7.892 2.470 2.653 662 2HG2 ILE 83 2HG2 ILE 83 -9.127 3.183 1.616 663 3HG2 ILE 83 3HG2 ILE 83 -9.598 2.279 3.055 664 1HD1 ILE 83 1HD1 ILE 83 -9.566 2.005 4.861 665 2HD1 ILE 83 2HD1 ILE 83 -10.269 2.806 6.267 666 3HD1 ILE 83 3HD1 ILE 83 -8.535 2.917 5.964 667 H LEU 84 H LEU 84 -5.675 4.178 2.053 668 HA LEU 84 HA LEU 84 -5.674 7.006 1.231 669 1HB LEU 84 2HB LEU 84 -3.502 7.029 1.747 670 2HB LEU 84 1HB LEU 84 -3.507 5.311 2.082 671 HG LEU 84 HG LEU 84 -3.175 4.923 -0.386 672 1HD1 LEU 84 1HD1 LEU 84 -2.916 7.911 -0.318 673 2HD1 LEU 84 2HD1 LEU 84 -3.915 6.914 -1.375 674 3HD1 LEU 84 3HD1 LEU 84 -2.163 6.928 -1.572 675 1HD2 LEU 84 1HD2 LEU 84 -0.880 6.568 0.493 676 2HD2 LEU 84 2HD2 LEU 84 -0.927 4.910 -0.108 677 3HD2 LEU 84 3HD2 LEU 84 -1.374 5.256 1.563 678 H LEU 85 H LEU 85 -7.067 6.887 -0.464 679 HA LEU 85 HA LEU 85 -6.649 4.808 -2.484 680 1HB LEU 85 2HB LEU 85 -8.935 6.223 -1.464 681 2HB LEU 85 1HB LEU 85 -8.831 6.429 -3.201 682 HG LEU 85 HG LEU 85 -8.691 3.930 -3.410 683 1HD1 LEU 85 1HD1 LEU 85 -8.274 4.034 -0.678 684 2HD1 LEU 85 2HD1 LEU 85 -8.600 2.591 -1.638 685 3HD1 LEU 85 3HD1 LEU 85 -9.926 3.436 -0.837 686 1HD2 LEU 85 1HD2 LEU 85 -11.216 3.831 -2.352 687 2HD2 LEU 85 2HD2 LEU 85 -10.801 4.411 -3.965 688 3HD2 LEU 85 3HD2 LEU 85 -10.985 5.556 -2.637 689 H PHE 86 H PHE 86 -5.619 5.217 -4.314 690 HA PHE 86 HA PHE 86 -5.905 7.668 -5.741 691 1HB PHE 86 2HB PHE 86 -3.879 8.717 -5.423 692 2HB PHE 86 1HB PHE 86 -4.159 8.064 -3.812 693 HD1 PHE 86 1HD PHE 86 -3.082 5.790 -3.277 694 HD2 PHE 86 2HD PHE 86 -1.921 8.244 -6.553 695 HE1 PHE 86 1HE PHE 86 -0.919 4.622 -3.380 696 HE2 PHE 86 2HE PHE 86 0.244 7.081 -6.664 697 HZ PHE 86 HZ PHE 86 0.746 5.267 -5.076 698 H LYS 87 H LYS 87 -5.328 7.470 -7.868 699 HA LYS 87 HA LYS 87 -4.553 4.800 -8.743 700 1HB LYS 87 2HB LYS 87 -5.573 7.226 -10.222 701 2HB LYS 87 1HB LYS 87 -5.076 5.744 -11.028 702 1HG LYS 87 2HG LYS 87 -6.951 4.653 -10.460 703 2HG LYS 87 1HG LYS 87 -7.014 5.382 -8.854 704 1HD LYS 87 2HD LYS 87 -8.812 6.436 -9.745 705 2HD LYS 87 1HD LYS 87 -7.568 7.543 -10.333 706 1HE LYS 87 2HE LYS 87 -7.476 6.200 -12.436 707 2HE LYS 87 1HE LYS 87 -8.855 5.275 -11.845 708 1HZ LYS 87 1HZ LYS 87 -9.306 8.095 -11.725 709 2HZ LYS 87 2HZ LYS 87 -10.249 6.884 -12.436 710 3HZ LYS 87 3HZ LYS 87 -8.969 7.576 -13.300 711 H SER 88 H SER 88 -3.567 5.968 -11.306 712 HA SER 88 HA SER 88 -1.206 7.448 -10.747 713 1HB SER 88 2HB SER 88 -1.071 4.544 -10.597 714 2HB SER 88 1HB SER 88 0.028 5.199 -11.812 715 HG SER 88 HG SER 88 0.218 5.269 -9.115 716 H GLY 89 H GLY 89 -3.573 7.044 -12.556 717 1HA GLY 89 2HA GLY 89 -4.007 7.751 -14.720 718 2HA GLY 89 1HA GLY 89 -2.277 7.933 -14.964 719 1H MET 1 1HT MET 1 29.271 -0.656 10.356 720 2H MET 1 2HT MET 1 30.583 -1.271 11.277 721 3H MET 1 3HT MET 1 29.375 -0.317 12.033 722 HA MET 1 HA MET 1 28.817 -2.880 10.716 723 1HB MET 1 2HB MET 1 29.033 -3.953 12.835 724 2HB MET 1 1HB MET 1 30.509 -3.030 12.583 725 1HG MET 1 2HG MET 1 28.200 -1.963 14.172 726 2HG MET 1 1HG MET 1 29.471 -2.949 14.892 727 1HE MET 1 1HE MET 1 31.786 -2.127 15.536 728 2HE MET 1 2HE MET 1 30.553 -1.396 16.563 729 3HE MET 1 3HE MET 1 31.899 -0.422 15.972 730 H CYS 2 H CYS 2 27.139 -0.950 10.164 731 HA CYS 2 HA CYS 2 24.755 -1.677 11.561 732 1HB CYS 2 2HB CYS 2 24.915 -0.093 13.163 733 2HB CYS 2 1HB CYS 2 26.149 0.803 12.284 734 HG CYS 2 HG CYS 2 24.292 2.066 11.019 735 H ASP 3 H ASP 3 22.862 -1.006 10.486 736 HA ASP 3 HA ASP 3 22.492 0.834 8.530 737 1HB ASP 3 2HB ASP 3 22.762 -0.828 6.473 738 2HB ASP 3 1HB ASP 3 24.095 0.183 7.024 739 H ARG 4 H ARG 4 21.136 -0.606 6.520 740 HA ARG 4 HA ARG 4 18.877 -1.105 6.297 741 1HB ARG 4 2HB ARG 4 20.512 -3.253 6.408 742 2HB ARG 4 1HB ARG 4 19.394 -3.654 7.705 743 1HG ARG 4 2HG ARG 4 18.684 -4.637 5.602 744 2HG ARG 4 1HG ARG 4 17.516 -3.438 6.163 745 1HD ARG 4 2HD ARG 4 18.102 -3.383 3.697 746 2HD ARG 4 1HD ARG 4 18.217 -1.856 4.570 747 HE ARG 4 HE ARG 4 20.425 -1.808 4.034 748 1HH1 ARG 4 1HH1 ARG 4 19.350 -5.118 3.954 749 2HH1 ARG 4 2HH1 ARG 4 20.869 -5.736 3.398 750 1HH2 ARG 4 1HH2 ARG 4 22.430 -2.608 3.299 751 2HH2 ARG 4 2HH2 ARG 4 22.623 -4.308 3.024 752 H LYS 5 H LYS 5 18.808 -3.335 8.883 753 HA LYS 5 HA LYS 5 17.852 -3.308 10.969 754 1HB LYS 5 2HB LYS 5 18.902 -1.068 11.273 755 2HB LYS 5 1HB LYS 5 17.474 -0.338 10.554 756 1HG LYS 5 2HG LYS 5 17.241 -0.126 12.891 757 2HG LYS 5 1HG LYS 5 16.133 -1.407 12.393 758 1HD LYS 5 2HD LYS 5 17.104 -2.785 13.841 759 2HD LYS 5 1HD LYS 5 18.625 -2.620 12.961 760 1HE LYS 5 2HE LYS 5 17.652 -1.099 15.353 761 2HE LYS 5 1HE LYS 5 19.162 -1.985 15.143 762 1HZ LYS 5 1HZ LYS 5 18.465 0.719 14.317 763 2HZ LYS 5 2HZ LYS 5 19.438 -0.161 13.251 764 3HZ LYS 5 3HZ LYS 5 19.948 0.096 14.843 765 H ALA 6 H ALA 6 16.491 -3.694 8.426 766 HA ALA 6 HA ALA 6 13.751 -3.088 9.303 767 1HB ALA 6 1HB ALA 6 13.059 -2.471 7.179 768 2HB ALA 6 2HB ALA 6 14.441 -3.236 6.398 769 3HB ALA 6 3HB ALA 6 14.656 -1.735 7.298 770 H VAL 7 H VAL 7 12.384 -4.450 7.333 771 HA VAL 7 HA VAL 7 13.387 -7.165 7.195 772 HB VAL 7 HB VAL 7 10.868 -6.529 8.736 773 1HG1 VAL 7 1HG1 VAL 7 10.468 -8.503 7.478 774 2HG1 VAL 7 2HG1 VAL 7 10.839 -9.010 9.126 775 3HG1 VAL 7 3HG1 VAL 7 12.063 -9.150 7.863 776 1HG2 VAL 7 1HG2 VAL 7 12.203 -6.430 10.510 777 2HG2 VAL 7 2HG2 VAL 7 13.606 -6.896 9.549 778 3HG2 VAL 7 3HG2 VAL 7 12.572 -8.136 10.255 779 H ILE 8 H ILE 8 13.201 -6.384 4.919 780 HA ILE 8 HA ILE 8 11.086 -5.558 3.514 781 HB ILE 8 HB ILE 8 13.257 -7.455 2.900 782 1HG1 ILE 8 2HG1 ILE 8 13.367 -5.966 0.865 783 2HG1 ILE 8 1HG1 ILE 8 12.008 -5.071 1.536 784 1HG2 ILE 8 1HG2 ILE 8 12.212 -8.827 1.503 785 2HG2 ILE 8 2HG2 ILE 8 11.712 -7.441 0.535 786 3HG2 ILE 8 3HG2 ILE 8 10.674 -8.030 1.834 787 1HD1 ILE 8 1HD1 ILE 8 13.454 -3.822 2.641 788 2HD1 ILE 8 2HD1 ILE 8 14.796 -4.840 2.117 789 3HD1 ILE 8 3HD1 ILE 8 13.906 -5.241 3.586 790 H LYS 9 H LYS 9 9.132 -6.279 2.784 791 HA LYS 9 HA LYS 9 8.221 -8.880 3.839 792 1HB LYS 9 2HB LYS 9 6.554 -6.387 3.451 793 2HB LYS 9 1HB LYS 9 5.994 -7.921 4.106 794 1HG LYS 9 2HG LYS 9 8.260 -6.515 5.435 795 2HG LYS 9 1HG LYS 9 6.611 -5.938 5.687 796 1HD LYS 9 2HD LYS 9 5.929 -8.027 6.594 797 2HD LYS 9 1HD LYS 9 7.430 -8.808 6.089 798 1HE LYS 9 2HE LYS 9 8.242 -8.362 8.111 799 2HE LYS 9 1HE LYS 9 8.238 -6.658 7.660 800 1HZ LYS 9 1HZ LYS 9 6.809 -7.815 9.692 801 2HZ LYS 9 2HZ LYS 9 5.656 -7.526 8.489 802 3HZ LYS 9 3HZ LYS 9 6.599 -6.253 9.080 803 H ASN 10 H ASN 10 8.793 -7.029 1.110 804 HA ASN 10 HA ASN 10 7.823 -9.038 -0.652 805 1HB ASN 10 2HB ASN 10 5.695 -7.832 -0.051 806 2HB ASN 10 1HB ASN 10 6.376 -6.387 -0.791 807 1HD2 ASN 10 1HD2 ASN 10 7.317 -9.297 -2.249 808 2HD2 ASN 10 2HD2 ASN 10 6.251 -9.241 -3.608 809 H ALA 11 H ALA 11 7.595 -5.706 -1.595 810 HA ALA 11 HA ALA 11 9.032 -4.299 -2.692 811 1HB ALA 11 1HB ALA 11 10.833 -5.081 -1.245 812 2HB ALA 11 2HB ALA 11 11.404 -4.837 -2.896 813 3HB ALA 11 3HB ALA 11 11.089 -6.468 -2.302 814 H ASP 12 H ASP 12 10.575 -4.452 -4.734 815 HA ASP 12 HA ASP 12 10.378 -6.506 -6.583 816 1HB ASP 12 2HB ASP 12 7.991 -4.773 -6.446 817 2HB ASP 12 1HB ASP 12 8.652 -5.007 -8.061 818 H MET 13 H MET 13 12.155 -4.518 -5.635 819 HA MET 13 HA MET 13 12.786 -3.145 -8.157 820 1HB MET 13 2HB MET 13 12.027 -1.372 -6.830 821 2HB MET 13 1HB MET 13 12.723 -2.047 -5.364 822 1HG MET 13 2HG MET 13 14.874 -1.352 -5.916 823 2HG MET 13 1HG MET 13 14.457 -1.104 -7.611 824 1HE MET 13 1HE MET 13 13.101 -0.406 -4.272 825 2HE MET 13 2HE MET 13 12.058 0.973 -4.619 826 3HE MET 13 3HE MET 13 13.661 1.231 -3.931 827 H SER 14 H SER 14 15.126 -2.429 -8.205 828 HA SER 14 HA SER 14 16.843 -4.563 -8.070 829 1HB SER 14 2HB SER 14 18.413 -2.246 -7.571 830 2HB SER 14 1HB SER 14 18.143 -3.063 -9.111 831 HG SER 14 HG SER 14 16.041 -1.769 -8.993 832 H GLU 15 H GLU 15 17.979 -5.581 -6.525 833 HA GLU 15 HA GLU 15 17.452 -5.500 -3.877 834 1HB GLU 15 2HB GLU 15 20.079 -6.105 -5.229 835 2HB GLU 15 1HB GLU 15 19.804 -6.379 -3.515 836 1HG GLU 15 2HG GLU 15 19.435 -8.452 -4.500 837 2HG GLU 15 1HG GLU 15 17.818 -7.803 -4.235 838 H GLU 16 H GLU 16 20.381 -3.948 -5.204 839 HA GLU 16 HA GLU 16 21.175 -2.550 -2.991 840 1HB GLU 16 2HB GLU 16 21.278 -1.153 -5.636 841 2HB GLU 16 1HB GLU 16 22.513 -1.273 -4.390 842 1HG GLU 16 2HG GLU 16 21.861 -3.862 -5.502 843 2HG GLU 16 1HG GLU 16 22.377 -2.722 -6.744 844 H MET 17 H MET 17 18.598 -1.749 -5.240 845 HA MET 17 HA MET 17 18.094 0.860 -4.239 846 1HB MET 17 2HB MET 17 16.438 -1.090 -5.835 847 2HB MET 17 1HB MET 17 15.817 0.481 -5.346 848 1HG MET 17 2HG MET 17 18.285 0.042 -7.010 849 2HG MET 17 1HG MET 17 16.694 0.460 -7.642 850 1HE MET 17 1HE MET 17 16.486 3.242 -4.749 851 2HE MET 17 2HE MET 17 15.559 2.016 -5.615 852 3HE MET 17 3HE MET 17 15.759 3.625 -6.310 853 H GLN 18 H GLN 18 17.027 -2.358 -3.377 854 HA GLN 18 HA GLN 18 14.963 -1.517 -1.583 855 1HB GLN 18 2HB GLN 18 16.268 -4.150 -1.181 856 2HB GLN 18 1HB GLN 18 14.559 -3.741 -1.255 857 1HG GLN 18 2HG GLN 18 16.424 -3.951 -3.608 858 2HG GLN 18 1HG GLN 18 15.230 -5.154 -3.119 859 1HE2 GLN 18 1HE2 GLN 18 13.303 -5.040 -4.018 860 2HE2 GLN 18 2HE2 GLN 18 12.647 -3.673 -4.845 861 H GLN 19 H GLN 19 18.379 -2.228 -1.347 862 HA GLN 19 HA GLN 19 18.440 -2.156 1.527 863 1HB GLN 19 2HB GLN 19 20.736 -2.580 1.345 864 2HB GLN 19 1HB GLN 19 20.073 -3.379 -0.074 865 1HG GLN 19 2HG GLN 19 20.766 -1.578 -1.487 866 2HG GLN 19 1HG GLN 19 21.268 -0.620 -0.095 867 1HE2 GLN 19 1HE2 GLN 19 23.181 -1.105 0.947 868 2HE2 GLN 19 2HE2 GLN 19 24.367 -2.165 0.274 869 H ASP 20 H ASP 20 19.033 0.035 -1.140 870 HA ASP 20 HA ASP 20 20.013 2.162 0.522 871 1HB ASP 20 2HB ASP 20 19.690 1.668 -2.314 872 2HB ASP 20 1HB ASP 20 19.080 3.265 -1.888 873 H SER 21 H SER 21 16.969 1.067 -0.750 874 HA SER 21 HA SER 21 15.458 3.404 -0.203 875 1HB SER 21 2HB SER 21 14.091 2.168 -1.504 876 2HB SER 21 1HB SER 21 14.931 0.671 -1.097 877 HG SER 21 HG SER 21 12.852 1.956 0.332 878 H VAL 22 H VAL 22 15.935 0.348 1.559 879 HA VAL 22 HA VAL 22 14.357 0.977 3.788 880 HB VAL 22 HB VAL 22 16.851 -0.731 3.753 881 1HG1 VAL 22 1HG1 VAL 22 16.413 -0.567 5.985 882 2HG1 VAL 22 2HG1 VAL 22 15.319 -1.890 5.580 883 3HG1 VAL 22 3HG1 VAL 22 14.695 -0.248 5.737 884 1HG2 VAL 22 1HG2 VAL 22 14.426 -1.096 2.366 885 2HG2 VAL 22 2HG2 VAL 22 14.406 -2.220 3.724 886 3HG2 VAL 22 3HG2 VAL 22 15.742 -2.254 2.573 887 H GLU 23 H GLU 23 17.784 1.558 3.105 888 HA GLU 23 HA GLU 23 18.482 2.633 5.604 889 1HB GLU 23 2HB GLU 23 19.629 3.312 2.888 890 2HB GLU 23 1HB GLU 23 20.394 3.636 4.438 891 1HG GLU 23 2HG GLU 23 19.804 0.901 4.439 892 2HG GLU 23 1HG GLU 23 20.448 1.258 2.837 893 H CYS 24 H CYS 24 16.958 4.029 2.771 894 HA CYS 24 HA CYS 24 17.160 6.749 3.584 895 1HB CYS 24 2HB CYS 24 15.417 5.286 1.612 896 2HB CYS 24 1HB CYS 24 15.184 7.000 1.938 897 HG CYS 24 HG CYS 24 18.039 6.496 1.163 898 H ALA 25 H ALA 25 14.779 4.200 4.060 899 HA ALA 25 HA ALA 25 12.818 5.853 5.308 900 1HB ALA 25 1HB ALA 25 12.382 3.591 4.282 901 2HB ALA 25 2HB ALA 25 11.712 3.813 5.898 902 3HB ALA 25 3HB ALA 25 13.191 2.879 5.678 903 H THR 26 H THR 26 15.684 4.208 6.210 904 HA THR 26 HA THR 26 15.328 4.264 9.037 905 HB THR 26 HB THR 26 17.961 4.199 7.581 906 HG1 THR 26 1HG THR 26 15.932 2.298 7.632 907 1HG2 THR 26 1HG2 THR 26 18.847 3.211 9.404 908 2HG2 THR 26 2HG2 THR 26 17.327 2.444 9.867 909 3HG2 THR 26 3HG2 THR 26 17.585 4.157 10.195 910 H GLN 27 H GLN 27 16.791 6.352 6.615 911 HA GLN 27 HA GLN 27 18.089 8.157 8.316 912 1HB GLN 27 2HB GLN 27 17.043 8.251 5.529 913 2HB GLN 27 1HB GLN 27 17.422 9.782 6.304 914 1HG GLN 27 2HG GLN 27 19.702 9.037 6.697 915 2HG GLN 27 1HG GLN 27 19.328 7.476 5.967 916 1HE2 GLN 27 1HE2 GLN 27 21.285 9.539 5.219 917 2HE2 GLN 27 2HE2 GLN 27 20.938 9.937 3.574 918 H ALA 28 H ALA 28 14.813 8.106 7.005 919 HA ALA 28 HA ALA 28 14.002 10.490 8.393 920 1HB ALA 28 1HB ALA 28 12.685 8.487 6.642 921 2HB ALA 28 2HB ALA 28 12.699 10.248 6.539 922 3HB ALA 28 3HB ALA 28 11.658 9.441 7.714 923 H LEU 29 H LEU 29 14.261 7.165 9.159 924 HA LEU 29 HA LEU 29 12.294 7.107 11.236 925 1HB LEU 29 2HB LEU 29 14.463 5.274 10.316 926 2HB LEU 29 1HB LEU 29 13.683 4.994 11.863 927 HG LEU 29 HG LEU 29 11.929 5.385 9.501 928 1HD1 LEU 29 1HD1 LEU 29 12.790 2.619 9.917 929 2HD1 LEU 29 2HD1 LEU 29 14.008 3.676 9.202 930 3HD1 LEU 29 3HD1 LEU 29 12.434 3.492 8.427 931 1HD2 LEU 29 1HD2 LEU 29 10.772 5.057 11.500 932 2HD2 LEU 29 2HD2 LEU 29 11.894 3.814 12.054 933 3HD2 LEU 29 3HD2 LEU 29 10.767 3.464 10.744 934 H GLU 30 H GLU 30 15.822 7.382 11.121 935 HA GLU 30 HA GLU 30 16.053 7.651 13.978 936 1HB GLU 30 2HB GLU 30 17.905 7.499 11.669 937 2HB GLU 30 1HB GLU 30 18.484 8.392 13.070 938 1HG GLU 30 2HG GLU 30 17.276 5.785 13.668 939 2HG GLU 30 1HG GLU 30 18.762 5.729 12.721 940 H LYS 31 H LYS 31 15.660 9.752 11.267 941 HA LYS 31 HA LYS 31 16.601 12.110 12.666 942 1HB LYS 31 2HB LYS 31 15.632 11.483 9.933 943 2HB LYS 31 1HB LYS 31 15.351 13.121 10.507 944 1HG LYS 31 2HG LYS 31 17.441 13.667 10.047 945 2HG LYS 31 1HG LYS 31 18.037 12.391 11.110 946 1HD LYS 31 2HD LYS 31 18.640 11.128 9.375 947 2HD LYS 31 1HD LYS 31 17.051 11.300 8.626 948 1HE LYS 31 2HE LYS 31 18.812 12.156 7.170 949 2HE LYS 31 1HE LYS 31 17.720 13.444 7.679 950 1HZ LYS 31 1HZ LYS 31 19.962 14.216 7.833 951 2HZ LYS 31 2HZ LYS 31 20.425 12.880 8.761 952 3HZ LYS 31 3HZ LYS 31 19.365 14.028 9.405 953 H TYR 32 H TYR 32 13.569 10.550 11.879 954 HA TYR 32 HA TYR 32 12.199 12.367 13.710 955 1HB TYR 32 2HB TYR 32 10.645 11.625 11.301 956 2HB TYR 32 1HB TYR 32 10.644 13.124 12.224 957 HD1 TYR 32 1HD TYR 32 12.894 11.185 9.956 958 HD2 TYR 32 2HD TYR 32 11.531 15.008 11.224 959 HE1 TYR 32 1HE TYR 32 14.267 12.241 8.215 960 HE2 TYR 32 2HE TYR 32 12.901 16.078 9.485 961 HH TYR 32 HH TYR 32 14.606 14.190 7.066 962 H ASN 33 H ASN 33 9.714 11.455 13.722 963 HA ASN 33 HA ASN 33 9.742 8.541 13.783 964 1HB ASN 33 2HB ASN 33 8.483 9.206 16.187 965 2HB ASN 33 1HB ASN 33 10.060 8.443 15.999 966 1HD2 ASN 33 1HD2 ASN 33 11.701 9.434 16.915 967 2HD2 ASN 33 2HD2 ASN 33 11.770 11.104 17.348 968 H ILE 34 H ILE 34 8.401 10.451 12.123 969 HA ILE 34 HA ILE 34 5.599 9.973 12.907 970 HB ILE 34 HB ILE 34 6.280 12.111 10.960 971 1HG1 ILE 34 2HG1 ILE 34 7.854 12.383 12.896 972 2HG1 ILE 34 1HG1 ILE 34 6.758 13.738 12.646 973 1HG2 ILE 34 1HG2 ILE 34 4.058 12.236 11.152 974 2HG2 ILE 34 2HG2 ILE 34 4.378 13.053 12.682 975 3HG2 ILE 34 3HG2 ILE 34 4.046 11.321 12.660 976 1HD1 ILE 34 1HD1 ILE 34 5.804 11.675 14.498 977 2HD1 ILE 34 2HD1 ILE 34 5.736 13.433 14.612 978 3HD1 ILE 34 3HD1 ILE 34 7.224 12.579 15.024 979 H GLU 35 H GLU 35 5.031 8.194 11.758 980 HA GLU 35 HA GLU 35 5.915 7.025 9.561 981 1HB GLU 35 2HB GLU 35 2.991 7.668 9.998 982 2HB GLU 35 1HB GLU 35 3.604 6.414 8.927 983 1HG GLU 35 2HG GLU 35 3.421 5.022 10.639 984 2HG GLU 35 1HG GLU 35 4.802 5.855 11.353 985 H LYS 36 H LYS 36 3.421 9.555 9.192 986 HA LYS 36 HA LYS 36 3.608 9.874 6.463 987 1HB LYS 36 2HB LYS 36 3.135 12.129 8.415 988 2HB LYS 36 1HB LYS 36 2.578 12.032 6.750 989 1HG LYS 36 2HG LYS 36 1.711 9.840 8.511 990 2HG LYS 36 1HG LYS 36 1.057 11.436 8.886 991 1HD LYS 36 2HD LYS 36 0.934 10.063 6.202 992 2HD LYS 36 1HD LYS 36 -0.399 10.203 7.349 993 1HE LYS 36 2HE LYS 36 -0.256 12.660 7.165 994 2HE LYS 36 1HE LYS 36 1.020 12.476 5.961 995 1HZ LYS 36 1HZ LYS 36 -1.407 12.801 5.194 996 2HZ LYS 36 2HZ LYS 36 -1.582 11.159 5.559 997 3HZ LYS 36 3HZ LYS 36 -0.446 11.651 4.407 998 H ASP 37 H ASP 37 5.335 11.807 8.927 999 HA ASP 37 HA ASP 37 6.832 13.366 7.188 1000 1HB ASP 37 2HB ASP 37 7.077 12.528 10.019 1001 2HB ASP 37 1HB ASP 37 8.556 13.107 9.257 1002 H ILE 38 H ILE 38 7.977 10.453 8.889 1003 HA ILE 38 HA ILE 38 10.408 10.085 7.778 1004 HB ILE 38 HB ILE 38 8.490 7.776 8.025 1005 1HG1 ILE 38 2HG1 ILE 38 10.101 8.895 10.310 1006 2HG1 ILE 38 1HG1 ILE 38 8.458 9.439 9.992 1007 1HG2 ILE 38 1HG2 ILE 38 11.343 7.753 8.884 1008 2HG2 ILE 38 2HG2 ILE 38 10.960 7.645 7.166 1009 3HG2 ILE 38 3HG2 ILE 38 10.335 6.435 8.287 1010 1HD1 ILE 38 1HD1 ILE 38 8.352 6.645 9.981 1011 2HD1 ILE 38 2HD1 ILE 38 7.734 7.747 11.212 1012 3HD1 ILE 38 3HD1 ILE 38 9.365 7.093 11.352 1013 H ALA 39 H ALA 39 7.321 9.139 6.312 1014 HA ALA 39 HA ALA 39 8.411 7.997 3.971 1015 1HB ALA 39 1HB ALA 39 5.777 8.684 4.985 1016 2HB ALA 39 2HB ALA 39 6.273 7.358 3.933 1017 3HB ALA 39 3HB ALA 39 5.918 8.941 3.246 1018 H ALA 40 H ALA 40 7.179 11.245 4.691 1019 HA ALA 40 HA ALA 40 7.392 12.392 2.177 1020 1HB ALA 40 1HB ALA 40 7.752 13.600 4.911 1021 2HB ALA 40 2HB ALA 40 6.297 13.587 3.916 1022 3HB ALA 40 3HB ALA 40 7.689 14.552 3.427 1023 H HIS 41 H HIS 41 9.807 12.525 4.791 1024 HA HIS 41 HA HIS 41 11.834 13.795 3.392 1025 1HB HIS 41 2HB HIS 41 12.655 11.674 5.295 1026 2HB HIS 41 1HB HIS 41 13.134 13.367 5.218 1027 HD1 HIS 41 1HD HIS 41 12.013 11.623 7.745 1028 HD2 HIS 41 2HD HIS 41 10.057 14.600 5.608 1029 HE1 HIS 41 1HE HIS 41 10.241 12.510 9.294 1030 HE2 HIS 41 2HE HIS 41 9.131 14.373 8.010 1031 H ILE 42 H ILE 42 11.043 10.355 3.566 1032 HA ILE 42 HA ILE 42 13.301 9.403 2.170 1033 HB ILE 42 HB ILE 42 10.544 8.173 2.297 1034 1HG1 ILE 42 2HG1 ILE 42 12.914 7.467 4.021 1035 2HG1 ILE 42 1HG1 ILE 42 11.756 8.704 4.502 1036 1HG2 ILE 42 1HG2 ILE 42 12.792 6.357 2.134 1037 2HG2 ILE 42 2HG2 ILE 42 12.721 7.442 0.746 1038 3HG2 ILE 42 3HG2 ILE 42 11.330 6.434 1.151 1039 1HD1 ILE 42 1HD1 ILE 42 11.398 5.761 4.265 1040 2HD1 ILE 42 2HD1 ILE 42 10.006 6.824 4.057 1041 3HD1 ILE 42 3HD1 ILE 42 10.924 6.856 5.564 1042 H LYS 43 H LYS 43 9.959 9.494 0.937 1043 HA LYS 43 HA LYS 43 10.370 9.060 -1.694 1044 1HB LYS 43 2HB LYS 43 8.161 9.467 -0.636 1045 2HB LYS 43 1HB LYS 43 8.516 11.188 -0.610 1046 1HG LYS 43 2HG LYS 43 8.810 9.969 -3.245 1047 2HG LYS 43 1HG LYS 43 7.175 9.878 -2.587 1048 1HD LYS 43 2HD LYS 43 7.142 12.274 -2.246 1049 2HD LYS 43 1HD LYS 43 8.819 12.401 -2.785 1050 1HE LYS 43 2HE LYS 43 7.919 12.852 -4.789 1051 2HE LYS 43 1HE LYS 43 7.674 11.108 -4.884 1052 1HZ LYS 43 1HZ LYS 43 5.555 11.706 -5.238 1053 2HZ LYS 43 2HZ LYS 43 5.735 13.230 -4.527 1054 3HZ LYS 43 3HZ LYS 43 5.489 11.869 -3.554 1055 H LYS 44 H LYS 44 10.795 12.158 -0.040 1056 HA LYS 44 HA LYS 44 11.393 13.705 -2.304 1057 1HB LYS 44 2HB LYS 44 11.817 13.976 0.627 1058 2HB LYS 44 1HB LYS 44 12.752 15.027 -0.428 1059 1HG LYS 44 2HG LYS 44 10.764 15.958 -1.374 1060 2HG LYS 44 1HG LYS 44 9.756 14.785 -0.524 1061 1HD LYS 44 2HD LYS 44 9.584 16.231 1.156 1062 2HD LYS 44 1HD LYS 44 11.314 16.037 1.445 1063 1HE LYS 44 2HE LYS 44 11.008 18.345 1.186 1064 2HE LYS 44 1HE LYS 44 11.646 17.800 -0.364 1065 1HZ LYS 44 1HZ LYS 44 9.669 19.376 -0.392 1066 2HZ LYS 44 2HZ LYS 44 8.739 18.053 0.102 1067 3HZ LYS 44 3HZ LYS 44 9.570 18.000 -1.370 1068 H GLU 45 H GLU 45 13.589 12.215 0.061 1069 HA GLU 45 HA GLU 45 15.960 12.904 -1.300 1070 1HB GLU 45 2HB GLU 45 15.242 11.003 0.884 1071 2HB GLU 45 1HB GLU 45 16.805 10.813 0.102 1072 1HG GLU 45 2HG GLU 45 17.562 12.886 0.827 1073 2HG GLU 45 1HG GLU 45 15.931 13.472 1.154 1074 H PHE 46 H PHE 46 13.682 10.340 -1.748 1075 HA PHE 46 HA PHE 46 15.455 8.635 -3.224 1076 1HB PHE 46 2HB PHE 46 12.800 8.471 -2.176 1077 2HB PHE 46 1HB PHE 46 12.755 8.060 -3.888 1078 HD1 PHE 46 1HD PHE 46 14.386 7.234 -0.674 1079 HD2 PHE 46 2HD PHE 46 13.529 5.985 -4.650 1080 HE1 PHE 46 1HE PHE 46 15.238 4.988 -0.147 1081 HE2 PHE 46 2HE PHE 46 14.377 3.734 -4.130 1082 HZ PHE 46 HZ PHE 46 15.234 3.234 -1.875 1083 H ASP 47 H ASP 47 12.847 10.887 -4.065 1084 HA ASP 47 HA ASP 47 13.035 10.501 -6.863 1085 1HB ASP 47 2HB ASP 47 11.548 12.326 -7.071 1086 2HB ASP 47 1HB ASP 47 11.112 11.563 -5.545 1087 H LYS 48 H LYS 48 14.853 12.356 -4.589 1088 HA LYS 48 HA LYS 48 16.061 14.011 -6.650 1089 1HB LYS 48 2HB LYS 48 16.437 15.450 -4.976 1090 2HB LYS 48 1HB LYS 48 15.539 14.362 -3.933 1091 1HG LYS 48 2HG LYS 48 17.519 14.767 -2.783 1092 2HG LYS 48 1HG LYS 48 17.774 13.188 -3.531 1093 1HD LYS 48 2HD LYS 48 19.762 14.290 -3.989 1094 2HD LYS 48 1HD LYS 48 18.832 14.551 -5.466 1095 1HE LYS 48 2HE LYS 48 19.094 16.740 -5.204 1096 2HE LYS 48 1HE LYS 48 18.161 16.646 -3.711 1097 1HZ LYS 48 1HZ LYS 48 20.931 15.846 -3.471 1098 2HZ LYS 48 2HZ LYS 48 19.995 16.826 -2.459 1099 3HZ LYS 48 3HZ LYS 48 20.700 17.478 -3.852 1100 H LYS 49 H LYS 49 16.981 11.417 -4.433 1101 HA LYS 49 HA LYS 49 19.696 11.340 -5.386 1102 1HB LYS 49 2HB LYS 49 18.616 10.615 -3.060 1103 2HB LYS 49 1HB LYS 49 18.525 9.060 -3.875 1104 1HG LYS 49 2HG LYS 49 21.120 10.335 -4.174 1105 2HG LYS 49 1HG LYS 49 20.683 10.042 -2.490 1106 1HD LYS 49 2HD LYS 49 20.049 7.778 -4.190 1107 2HD LYS 49 1HD LYS 49 21.760 8.202 -4.264 1108 1HE LYS 49 2HE LYS 49 20.145 7.586 -1.794 1109 2HE LYS 49 1HE LYS 49 21.419 6.594 -2.503 1110 1HZ LYS 49 1HZ LYS 49 22.519 9.098 -2.067 1111 2HZ LYS 49 2HZ LYS 49 22.849 7.671 -1.222 1112 3HZ LYS 49 3HZ LYS 49 21.652 8.724 -0.663 1113 H TYR 50 H TYR 50 16.735 10.074 -6.459 1114 HA TYR 50 HA TYR 50 18.171 8.245 -8.260 1115 1HB TYR 50 2HB TYR 50 15.478 7.688 -7.001 1116 2HB TYR 50 1HB TYR 50 16.340 6.640 -8.122 1117 HD1 TYR 50 1HD TYR 50 18.904 6.201 -7.262 1118 HD2 TYR 50 2HD TYR 50 15.528 7.022 -4.807 1119 HE1 TYR 50 1HE TYR 50 20.020 5.096 -5.370 1120 HE2 TYR 50 2HE TYR 50 16.634 5.920 -2.907 1121 HH TYR 50 HH TYR 50 19.669 5.419 -2.585 1122 H ASN 51 H ASN 51 14.789 9.285 -7.871 1123 HA ASN 51 HA ASN 51 14.420 11.163 -9.730 1124 1HB ASN 51 2HB ASN 51 15.421 8.884 -11.095 1125 2HB ASN 51 1HB ASN 51 13.725 9.049 -11.544 1126 1HD2 ASN 51 1HD2 ASN 51 16.885 10.262 -11.910 1127 2HD2 ASN 51 2HD2 ASN 51 16.511 11.569 -12.976 1128 HA PRO 52 HA PRO 52 10.449 10.112 -7.932 1129 1HB PRO 52 2HB PRO 52 9.096 12.216 -9.069 1130 2HB PRO 52 1HB PRO 52 10.048 12.332 -7.586 1131 1HG PRO 52 2HG PRO 52 10.809 13.062 -10.387 1132 2HG PRO 52 1HG PRO 52 11.124 13.937 -8.876 1133 1HD PRO 52 2HD PRO 52 13.027 12.463 -10.054 1134 2HD PRO 52 1HD PRO 52 12.880 12.538 -8.285 1135 H THR 53 H THR 53 8.018 9.168 -10.415 1136 HA THR 53 HA THR 53 8.470 10.545 -7.868 1137 HB THR 53 HB THR 53 6.028 9.836 -9.453 1138 HG1 THR 53 1HG THR 53 7.308 11.974 -9.242 1139 1HG2 THR 53 1HG2 THR 53 4.543 9.976 -7.747 1140 2HG2 THR 53 2HG2 THR 53 5.633 10.908 -6.721 1141 3HG2 THR 53 3HG2 THR 53 5.868 9.170 -6.908 1142 H TRP 54 H TRP 54 8.420 9.495 -5.947 1143 HA TRP 54 HA TRP 54 8.180 6.567 -6.062 1144 1HB TRP 54 2HB TRP 54 9.626 8.313 -4.062 1145 2HB TRP 54 1HB TRP 54 9.540 6.556 -3.997 1146 HD1 TRP 54 HD TRP 54 10.912 9.323 -6.336 1147 HE1 TRP 54 1HE TRP 54 12.990 8.391 -7.531 1148 HE3 TRP 54 3HE TRP 54 10.795 4.535 -4.549 1149 HZ2 TRP 54 2HZ TRP 54 14.397 5.947 -7.694 1150 HZ3 TRP 54 3HZ TRP 54 12.543 2.962 -5.274 1151 HH2 TRP 54 HH TRP 54 14.307 3.655 -6.814 1152 H HIS 55 H HIS 55 6.155 5.997 -5.510 1153 HA HIS 55 HA HIS 55 4.641 7.454 -3.534 1154 1HB HIS 55 2HB HIS 55 3.967 4.743 -4.690 1155 2HB HIS 55 1HB HIS 55 2.862 5.925 -3.998 1156 HD1 HIS 55 1HD HIS 55 1.795 5.280 -6.519 1157 HD2 HIS 55 2HD HIS 55 5.064 7.839 -6.329 1158 HE1 HIS 55 1HE HIS 55 1.801 6.525 -8.704 1159 HE2 HIS 55 2HE HIS 55 3.836 8.009 -8.599 1160 H CYS 56 H CYS 56 5.748 7.310 -1.599 1161 HA CYS 56 HA CYS 56 6.267 4.602 -0.575 1162 1HB CYS 56 2HB CYS 56 7.367 6.962 0.842 1163 2HB CYS 56 1HB CYS 56 8.097 5.392 0.529 1164 HG CYS 56 HG CYS 56 8.434 6.329 -1.999 1165 H ILE 57 H ILE 57 5.504 3.894 1.323 1166 HA ILE 57 HA ILE 57 3.866 5.687 2.973 1167 HB ILE 57 HB ILE 57 2.998 2.891 2.230 1168 1HG1 ILE 57 2HG1 ILE 57 2.722 4.161 0.240 1169 2HG1 ILE 57 1HG1 ILE 57 1.135 4.109 0.999 1170 1HG2 ILE 57 1HG2 ILE 57 2.347 3.930 4.471 1171 2HG2 ILE 57 2HG2 ILE 57 1.051 3.284 3.465 1172 3HG2 ILE 57 3HG2 ILE 57 1.335 5.023 3.528 1173 1HD1 ILE 57 1HD1 ILE 57 1.042 6.312 0.932 1174 2HD1 ILE 57 2HD1 ILE 57 2.642 6.359 0.190 1175 3HD1 ILE 57 3HD1 ILE 57 2.482 6.413 1.946 1176 H VAL 58 H VAL 58 5.121 5.725 4.759 1177 HA VAL 58 HA VAL 58 6.204 3.188 5.761 1178 HB VAL 58 HB VAL 58 7.929 4.793 5.538 1179 1HG1 VAL 58 1HG1 VAL 58 6.480 6.754 7.276 1180 2HG1 VAL 58 2HG1 VAL 58 6.256 6.732 5.527 1181 3HG1 VAL 58 3HG1 VAL 58 7.858 7.022 6.208 1182 1HG2 VAL 58 1HG2 VAL 58 7.924 3.461 7.628 1183 2HG2 VAL 58 2HG2 VAL 58 7.132 4.808 8.445 1184 3HG2 VAL 58 3HG2 VAL 58 8.757 5.007 7.789 1185 H GLY 59 H GLY 59 5.344 2.229 7.472 1186 1HA GLY 59 2HA GLY 59 3.979 3.842 9.501 1187 2HA GLY 59 1HA GLY 59 3.069 2.555 8.720 1188 H ARG 60 H ARG 60 3.144 0.599 9.639 1189 HA ARG 60 HA ARG 60 5.297 -0.744 10.626 1190 1HB ARG 60 2HB ARG 60 5.286 -0.395 12.989 1191 2HB ARG 60 1HB ARG 60 5.465 1.163 12.195 1192 1HG ARG 60 2HG ARG 60 3.311 1.831 12.745 1193 2HG ARG 60 1HG ARG 60 2.779 0.179 13.066 1194 1HD ARG 60 2HD ARG 60 4.697 0.348 14.904 1195 2HD ARG 60 1HD ARG 60 4.299 2.062 14.782 1196 HE ARG 60 HE ARG 60 1.881 0.865 15.057 1197 1HH1 ARG 60 1HH1 ARG 60 4.852 0.723 16.871 1198 2HH1 ARG 60 2HH1 ARG 60 4.063 0.433 18.385 1199 1HH2 ARG 60 1HH2 ARG 60 0.836 0.483 17.043 1200 2HH2 ARG 60 2HH2 ARG 60 1.779 0.297 18.483 1201 H ASN 61 H ASN 61 2.139 -0.496 9.940 1202 HA ASN 61 HA ASN 61 1.549 -3.182 10.372 1203 1HB ASN 61 2HB ASN 61 1.343 -1.703 12.752 1204 2HB ASN 61 1HB ASN 61 -0.312 -1.970 12.212 1205 1HD2 ASN 61 1HD2 ASN 61 2.691 -3.524 13.102 1206 2HD2 ASN 61 2HD2 ASN 61 2.005 -5.064 13.479 1207 H PHE 62 H PHE 62 1.189 -0.975 8.473 1208 HA PHE 62 HA PHE 62 -1.711 -0.721 8.314 1209 1HB PHE 62 2HB PHE 62 -1.333 0.880 6.561 1210 2HB PHE 62 1HB PHE 62 -0.240 1.253 7.891 1211 HD1 PHE 62 1HD PHE 62 -0.462 1.057 4.462 1212 HD2 PHE 62 2HD PHE 62 2.107 -0.076 7.659 1213 HE1 PHE 62 1HE PHE 62 1.439 0.994 2.904 1214 HE2 PHE 62 2HE PHE 62 4.013 -0.141 6.108 1215 HZ PHE 62 HZ PHE 62 3.685 0.395 3.727 1216 H GLY 63 H GLY 63 -2.099 -0.601 5.609 1217 1HA GLY 63 2HA GLY 63 -1.224 -3.203 4.560 1218 2HA GLY 63 1HA GLY 63 -2.947 -2.861 4.667 1219 H SER 64 H SER 64 0.064 -1.979 3.111 1220 HA SER 64 HA SER 64 -1.214 -0.112 1.325 1221 1HB SER 64 2HB SER 64 1.106 -0.181 0.202 1222 2HB SER 64 1HB SER 64 1.000 0.483 1.832 1223 HG SER 64 HG SER 64 1.415 -2.221 1.788 1224 H TYR 65 H TYR 65 -2.219 -0.603 -0.478 1225 HA TYR 65 HA TYR 65 -1.436 -3.015 -1.960 1226 1HB TYR 65 2HB TYR 65 -3.497 -3.454 -0.612 1227 2HB TYR 65 1HB TYR 65 -4.299 -2.156 -1.490 1228 HD1 TYR 65 1HD TYR 65 -4.820 -2.419 -3.888 1229 HD2 TYR 65 2HD TYR 65 -3.152 -5.603 -1.612 1230 HE1 TYR 65 1HE TYR 65 -5.481 -4.010 -5.642 1231 HE2 TYR 65 2HE TYR 65 -3.808 -7.204 -3.359 1232 HH TYR 65 HH TYR 65 -5.130 -7.475 -5.211 1233 H VAL 66 H VAL 66 -0.293 -1.563 -3.333 1234 HA VAL 66 HA VAL 66 -2.041 0.053 -5.071 1235 HB VAL 66 HB VAL 66 -0.243 1.571 -5.474 1236 1HG1 VAL 66 1HG1 VAL 66 -1.437 2.097 -3.481 1237 2HG1 VAL 66 2HG1 VAL 66 0.275 2.362 -3.150 1238 3HG1 VAL 66 3HG1 VAL 66 -0.524 0.911 -2.548 1239 1HG2 VAL 66 1HG2 VAL 66 1.805 0.673 -5.566 1240 2HG2 VAL 66 2HG2 VAL 66 1.383 -0.629 -4.454 1241 3HG2 VAL 66 3HG2 VAL 66 1.858 0.949 -3.825 1242 H THR 67 H THR 67 -1.615 0.055 -7.309 1243 HA THR 67 HA THR 67 -0.688 -2.446 -8.336 1244 HB THR 67 HB THR 67 -1.633 0.100 -9.647 1245 HG1 THR 67 1HG THR 67 -2.734 -2.427 -9.112 1246 1HG2 THR 67 1HG2 THR 67 -1.847 -1.719 -11.618 1247 2HG2 THR 67 2HG2 THR 67 -0.320 -2.214 -10.886 1248 3HG2 THR 67 3HG2 THR 67 -0.521 -0.564 -11.476 1249 H HIS 68 H HIS 68 1.500 -2.337 -7.475 1250 HA HIS 68 HA HIS 68 3.391 -0.413 -8.199 1251 1HB HIS 68 2HB HIS 68 5.031 -1.925 -7.402 1252 2HB HIS 68 1HB HIS 68 3.591 -2.247 -6.440 1253 HD1 HIS 68 1HD HIS 68 2.143 -4.393 -7.309 1254 HD2 HIS 68 2HD HIS 68 6.078 -4.112 -8.606 1255 HE1 HIS 68 1HE HIS 68 2.750 -6.698 -8.116 1256 HE2 HIS 68 2HE HIS 68 5.127 -6.496 -8.929 1257 H GLU 69 H GLU 69 5.360 -0.933 -9.588 1258 HA GLU 69 HA GLU 69 5.291 -2.709 -11.726 1259 1HB GLU 69 2HB GLU 69 4.770 -0.985 -13.558 1260 2HB GLU 69 1HB GLU 69 3.416 -1.681 -12.680 1261 1HG GLU 69 2HG GLU 69 3.702 0.419 -11.155 1262 2HG GLU 69 1HG GLU 69 4.534 1.075 -12.565 1263 H THR 70 H THR 70 6.758 -1.896 -13.596 1264 HA THR 70 HA THR 70 8.722 -0.979 -14.321 1265 HB THR 70 HB THR 70 8.913 0.731 -11.861 1266 HG1 THR 70 1HG THR 70 6.869 1.180 -12.438 1267 1HG2 THR 70 1HG2 THR 70 10.698 1.322 -13.115 1268 2HG2 THR 70 2HG2 THR 70 9.490 2.365 -13.867 1269 3HG2 THR 70 3HG2 THR 70 9.936 0.839 -14.631 1270 H LYS 71 H LYS 71 9.528 -0.386 -10.963 1271 HA LYS 71 HA LYS 71 10.530 -2.761 -10.092 1272 1HB LYS 71 2HB LYS 71 13.003 -2.496 -10.683 1273 2HB LYS 71 1HB LYS 71 11.937 -3.090 -11.948 1274 1HG LYS 71 2HG LYS 71 12.184 -1.237 -13.223 1275 2HG LYS 71 1HG LYS 71 12.361 -0.167 -11.829 1276 1HD LYS 71 2HD LYS 71 14.517 -2.148 -12.314 1277 2HD LYS 71 1HD LYS 71 14.402 -0.783 -13.429 1278 1HE LYS 71 2HE LYS 71 14.184 0.552 -11.137 1279 2HE LYS 71 1HE LYS 71 15.093 -0.837 -10.544 1280 1HZ LYS 71 1HZ LYS 71 16.820 -0.399 -12.110 1281 2HZ LYS 71 2HZ LYS 71 16.495 1.043 -11.291 1282 3HZ LYS 71 3HZ LYS 71 15.920 0.818 -12.865 1283 H HIS 72 H HIS 72 9.503 -0.460 -8.974 1284 HA HIS 72 HA HIS 72 11.690 0.290 -7.175 1285 1HB HIS 72 2HB HIS 72 9.729 2.286 -8.325 1286 2HB HIS 72 1HB HIS 72 11.030 2.632 -7.189 1287 HD1 HIS 72 1HD HIS 72 13.511 1.794 -8.284 1288 HD2 HIS 72 2HD HIS 72 10.439 2.920 -10.845 1289 HE1 HIS 72 1HE HIS 72 14.628 2.358 -10.465 1290 HE2 HIS 72 2HE HIS 72 12.758 3.111 -11.976 1291 H PHE 73 H PHE 73 9.465 -1.576 -6.936 1292 HA PHE 73 HA PHE 73 7.910 -0.255 -4.813 1293 1HB PHE 73 2HB PHE 73 6.331 -1.022 -6.357 1294 2HB PHE 73 1HB PHE 73 7.236 -2.492 -6.699 1295 HD1 PHE 73 1HD PHE 73 6.112 -4.379 -6.052 1296 HD2 PHE 73 2HD PHE 73 5.856 -0.900 -3.615 1297 HE1 PHE 73 1HE PHE 73 4.713 -5.612 -4.447 1298 HE2 PHE 73 2HE PHE 73 4.457 -2.126 -2.004 1299 HZ PHE 73 HZ PHE 73 3.885 -4.486 -2.419 1300 H ILE 74 H ILE 74 9.719 -0.597 -3.370 1301 HA ILE 74 HA ILE 74 10.144 -3.393 -2.588 1302 HB ILE 74 HB ILE 74 12.160 -2.046 -3.051 1303 1HG1 ILE 74 2HG1 ILE 74 11.551 -3.433 -0.522 1304 2HG1 ILE 74 1HG1 ILE 74 12.843 -3.719 -1.676 1305 1HG2 ILE 74 1HG2 ILE 74 11.086 -0.359 -0.803 1306 2HG2 ILE 74 2HG2 ILE 74 11.501 0.139 -2.444 1307 3HG2 ILE 74 3HG2 ILE 74 12.774 -0.312 -1.311 1308 1HD1 ILE 74 1HD1 ILE 74 14.201 -2.975 -0.087 1309 2HD1 ILE 74 2HD1 ILE 74 12.869 -2.297 0.849 1310 3HD1 ILE 74 3HD1 ILE 74 13.589 -1.364 -0.463 1311 H TYR 75 H TYR 75 9.184 -4.163 -0.842 1312 HA TYR 75 HA TYR 75 8.135 -2.259 1.145 1313 1HB TYR 75 2HB TYR 75 6.523 -3.763 -0.191 1314 2HB TYR 75 1HB TYR 75 7.154 -5.086 0.785 1315 HD1 TYR 75 1HD TYR 75 7.447 -3.781 3.415 1316 HD2 TYR 75 2HD TYR 75 4.324 -3.490 0.541 1317 HE1 TYR 75 1HE TYR 75 5.860 -3.219 5.205 1318 HE2 TYR 75 2HE TYR 75 2.728 -2.925 2.323 1319 HH TYR 75 HH TYR 75 3.626 -1.957 5.357 1320 H PHE 76 H PHE 76 8.681 -2.497 3.255 1321 HA PHE 76 HA PHE 76 9.837 -4.915 4.278 1322 1HB PHE 76 2HB PHE 76 11.992 -3.766 4.964 1323 2HB PHE 76 1HB PHE 76 11.843 -4.154 3.254 1324 HD1 PHE 76 1HD PHE 76 12.463 -1.598 5.647 1325 HD2 PHE 76 2HD PHE 76 11.072 -2.291 1.686 1326 HE1 PHE 76 1HE PHE 76 12.917 0.753 5.080 1327 HE2 PHE 76 2HE PHE 76 11.523 0.058 1.112 1328 HZ PHE 76 HZ PHE 76 12.448 1.583 2.810 1329 H TYR 77 H TYR 77 10.579 -4.590 6.589 1330 HA TYR 77 HA TYR 77 9.130 -2.392 7.892 1331 1HB TYR 77 2HB TYR 77 7.691 -4.370 7.993 1332 2HB TYR 77 1HB TYR 77 9.004 -5.305 8.700 1333 HD1 TYR 77 1HD TYR 77 6.368 -2.888 9.320 1334 HD2 TYR 77 2HD TYR 77 9.759 -4.823 11.008 1335 HE1 TYR 77 1HE TYR 77 5.631 -2.209 11.566 1336 HE2 TYR 77 2HE TYR 77 9.032 -4.150 13.259 1337 HH TYR 77 HH TYR 77 5.943 -2.532 13.783 1338 H LEU 78 H LEU 78 10.547 -1.265 9.028 1339 HA LEU 78 HA LEU 78 13.102 -2.268 9.760 1340 1HB LEU 78 2HB LEU 78 11.609 0.251 10.437 1341 2HB LEU 78 1HB LEU 78 13.202 -0.088 11.085 1342 HG LEU 78 HG LEU 78 13.101 1.413 9.041 1343 1HD1 LEU 78 1HD1 LEU 78 15.170 0.411 9.778 1344 2HD1 LEU 78 2HD1 LEU 78 15.082 0.379 8.018 1345 3HD1 LEU 78 3HD1 LEU 78 14.773 -1.090 8.943 1346 1HD2 LEU 78 1HD2 LEU 78 11.780 -0.935 7.997 1347 2HD2 LEU 78 2HD2 LEU 78 13.184 -0.497 7.024 1348 3HD2 LEU 78 3HD2 LEU 78 11.906 0.685 7.311 1349 H GLY 79 H GLY 79 13.901 -1.999 12.091 1350 1HA GLY 79 2HA GLY 79 13.191 -3.890 13.765 1351 2HA GLY 79 1HA GLY 79 13.584 -2.301 14.403 1352 H GLN 80 H GLN 80 11.411 -0.812 13.710 1353 HA GLN 80 HA GLN 80 9.028 -2.214 14.631 1354 1HB GLN 80 2HB GLN 80 9.493 0.347 16.024 1355 2HB GLN 80 1HB GLN 80 8.777 -1.145 16.618 1356 1HG GLN 80 2HG GLN 80 11.226 -2.031 16.503 1357 2HG GLN 80 1HG GLN 80 11.638 -0.317 16.532 1358 1HE2 GLN 80 1HE2 GLN 80 12.313 0.136 18.506 1359 2HE2 GLN 80 2HE2 GLN 80 11.519 -0.305 19.975 1360 H VAL 81 H VAL 81 9.675 -1.149 12.109 1361 HA VAL 81 HA VAL 81 7.477 0.720 11.780 1362 HB VAL 81 HB VAL 81 10.300 1.424 10.970 1363 1HG1 VAL 81 1HG1 VAL 81 8.686 1.898 9.159 1364 2HG1 VAL 81 2HG1 VAL 81 9.397 3.360 9.842 1365 3HG1 VAL 81 3HG1 VAL 81 7.755 2.889 10.280 1366 1HG2 VAL 81 1HG2 VAL 81 9.957 2.085 13.200 1367 2HG2 VAL 81 2HG2 VAL 81 8.310 2.625 12.874 1368 3HG2 VAL 81 3HG2 VAL 81 9.680 3.540 12.243 1369 H ALA 82 H ALA 82 7.099 1.167 9.407 1370 HA ALA 82 HA ALA 82 8.030 -1.042 7.707 1371 1HB ALA 82 1HB ALA 82 5.229 -0.359 8.432 1372 2HB ALA 82 2HB ALA 82 5.977 -1.933 8.163 1373 3HB ALA 82 3HB ALA 82 5.556 -0.909 6.789 1374 H ILE 83 H ILE 83 8.272 -0.546 5.545 1375 HA ILE 83 HA ILE 83 7.559 2.175 4.702 1376 HB ILE 83 HB ILE 83 10.127 1.201 3.644 1377 1HG1 ILE 83 2HG1 ILE 83 10.237 0.522 6.056 1378 2HG1 ILE 83 1HG1 ILE 83 11.434 1.730 5.599 1379 1HG2 ILE 83 1HG2 ILE 83 10.646 3.450 3.541 1380 2HG2 ILE 83 2HG2 ILE 83 9.611 3.858 4.910 1381 3HG2 ILE 83 3HG2 ILE 83 8.893 3.467 3.348 1382 1HD1 ILE 83 1HD1 ILE 83 9.279 3.225 6.459 1383 2HD1 ILE 83 2HD1 ILE 83 10.753 2.882 7.363 1384 3HD1 ILE 83 3HD1 ILE 83 9.331 1.860 7.574 1385 H LEU 84 H LEU 84 6.622 2.249 2.773 1386 HA LEU 84 HA LEU 84 6.927 -0.064 0.977 1387 1HB LEU 84 2HB LEU 84 4.738 -0.350 1.487 1388 2HB LEU 84 1HB LEU 84 4.529 1.313 1.994 1389 HG LEU 84 HG LEU 84 4.809 1.554 -0.735 1390 1HD1 LEU 84 1HD1 LEU 84 2.759 -0.293 -1.055 1391 2HD1 LEU 84 2HD1 LEU 84 4.000 -1.152 -0.142 1392 3HD1 LEU 84 3HD1 LEU 84 4.400 -0.407 -1.690 1393 1HD2 LEU 84 1HD2 LEU 84 3.161 2.853 0.125 1394 2HD2 LEU 84 2HD2 LEU 84 2.583 1.592 1.215 1395 3HD2 LEU 84 3HD2 LEU 84 2.152 1.545 -0.495 1396 H LEU 85 H LEU 85 8.440 0.765 -0.399 1397 HA LEU 85 HA LEU 85 7.933 3.386 -1.613 1398 1HB LEU 85 2HB LEU 85 10.299 1.891 -0.913 1399 2HB LEU 85 1HB LEU 85 10.335 2.328 -2.611 1400 HG LEU 85 HG LEU 85 9.976 4.703 -1.967 1401 1HD1 LEU 85 1HD1 LEU 85 10.758 4.229 0.817 1402 2HD1 LEU 85 2HD1 LEU 85 9.118 3.719 0.412 1403 3HD1 LEU 85 3HD1 LEU 85 9.617 5.388 0.135 1404 1HD2 LEU 85 1HD2 LEU 85 12.366 3.521 -0.571 1405 2HD2 LEU 85 2HD2 LEU 85 12.225 5.107 -1.330 1406 3HD2 LEU 85 3HD2 LEU 85 12.237 3.651 -2.325 1407 H PHE 86 H PHE 86 6.897 3.448 -3.480 1408 HA PHE 86 HA PHE 86 7.545 1.555 -5.577 1409 1HB PHE 86 2HB PHE 86 5.527 0.494 -5.764 1410 2HB PHE 86 1HB PHE 86 5.498 0.800 -4.033 1411 HD1 PHE 86 1HD PHE 86 3.952 2.367 -3.074 1412 HD2 PHE 86 2HD PHE 86 4.164 1.819 -7.289 1413 HE1 PHE 86 1HE PHE 86 1.834 3.591 -3.337 1414 HE2 PHE 86 2HE PHE 86 2.048 3.043 -7.559 1415 HZ PHE 86 HZ PHE 86 0.881 3.932 -5.581 1416 H LYS 87 H LYS 87 7.681 2.595 -7.460 1417 HA LYS 87 HA LYS 87 6.463 5.263 -7.665 1418 1HB LYS 87 2HB LYS 87 8.508 4.222 -9.590 1419 2HB LYS 87 1HB LYS 87 8.171 5.882 -9.117 1420 1HG LYS 87 2HG LYS 87 9.188 5.505 -6.953 1421 2HG LYS 87 1HG LYS 87 9.459 3.809 -7.356 1422 1HD LYS 87 2HD LYS 87 11.504 5.076 -7.661 1423 2HD LYS 87 1HD LYS 87 10.907 4.503 -9.220 1424 1HE LYS 87 2HE LYS 87 10.415 7.264 -8.113 1425 2HE LYS 87 1HE LYS 87 11.709 6.861 -9.242 1426 1HZ LYS 87 1HZ LYS 87 8.879 7.199 -9.723 1427 2HZ LYS 87 2HZ LYS 87 9.560 5.854 -10.489 1428 3HZ LYS 87 3HZ LYS 87 10.187 7.398 -10.776 1429 H SER 88 H SER 88 5.416 5.897 -9.608 1430 HA SER 88 HA SER 88 4.292 3.629 -11.104 1431 1HB SER 88 2HB SER 88 3.048 5.849 -9.791 1432 2HB SER 88 1HB SER 88 2.724 5.953 -11.521 1433 HG SER 88 HG SER 88 2.449 3.418 -10.574 1434 H GLY 89 H GLY 89 6.725 5.382 -11.500 1435 1HA GLY 89 2HA GLY 89 7.679 6.714 -13.181 1436 2HA GLY 89 1HA GLY 89 7.251 5.269 -14.082 Start of MODEL 9 1 1H MET 1 1HT MET 1 -23.571 7.050 12.862 2 2H MET 1 2HT MET 1 -25.071 6.638 13.587 3 3H MET 1 3HT MET 1 -24.017 7.747 14.363 4 HA MET 1 HA MET 1 -26.085 8.370 12.784 5 1HB MET 1 2HB MET 1 -25.004 9.783 14.454 6 2HB MET 1 1HB MET 1 -23.568 9.913 13.446 7 1HG MET 1 2HG MET 1 -25.406 11.803 13.520 8 2HG MET 1 1HG MET 1 -24.511 11.425 12.048 9 1HE MET 1 1HE MET 1 -27.360 10.515 14.212 10 2HE MET 1 2HE MET 1 -28.582 9.791 13.164 11 3HE MET 1 3HE MET 1 -28.492 11.544 13.336 12 H CYS 2 H CYS 2 -26.480 8.840 10.695 13 HA CYS 2 HA CYS 2 -26.205 8.651 8.427 14 1HB CYS 2 2HB CYS 2 -24.463 10.716 9.494 15 2HB CYS 2 1HB CYS 2 -23.843 10.068 7.979 16 HG CYS 2 HG CYS 2 -25.725 12.143 7.917 17 H ASP 3 H ASP 3 -24.121 8.519 6.716 18 HA ASP 3 HA ASP 3 -22.747 6.047 7.539 19 1HB ASP 3 2HB ASP 3 -23.707 6.962 4.826 20 2HB ASP 3 1HB ASP 3 -22.609 5.602 5.043 21 H ARG 4 H ARG 4 -21.340 6.495 4.791 22 HA ARG 4 HA ARG 4 -19.425 7.443 3.992 23 1HB ARG 4 2HB ARG 4 -20.579 9.526 5.426 24 2HB ARG 4 1HB ARG 4 -18.948 9.421 6.073 25 1HG ARG 4 2HG ARG 4 -18.592 10.862 4.351 26 2HG ARG 4 1HG ARG 4 -18.307 9.332 3.519 27 1HD ARG 4 2HD ARG 4 -19.774 10.937 2.282 28 2HD ARG 4 1HD ARG 4 -20.493 9.353 2.571 29 HE ARG 4 HE ARG 4 -21.345 10.847 4.674 30 1HH1 ARG 4 1HH1 ARG 4 -21.470 11.227 1.216 31 2HH1 ARG 4 2HH1 ARG 4 -22.945 12.135 1.240 32 1HH2 ARG 4 1HH2 ARG 4 -23.282 12.040 4.720 33 2HH2 ARG 4 2HH2 ARG 4 -23.975 12.600 3.235 34 H LYS 5 H LYS 5 -19.181 7.878 7.529 35 HA LYS 5 HA LYS 5 -17.742 7.005 9.068 36 1HB LYS 5 2HB LYS 5 -18.359 4.877 7.482 37 2HB LYS 5 1HB LYS 5 -16.610 4.932 7.305 38 1HG LYS 5 2HG LYS 5 -16.289 4.083 9.331 39 2HG LYS 5 1HG LYS 5 -17.420 5.219 10.070 40 1HD LYS 5 2HD LYS 5 -18.907 3.334 8.541 41 2HD LYS 5 1HD LYS 5 -17.773 2.449 9.563 42 1HE LYS 5 2HE LYS 5 -18.609 4.025 11.438 43 2HE LYS 5 1HE LYS 5 -19.970 4.325 10.358 44 1HZ LYS 5 1HZ LYS 5 -20.849 2.529 11.317 45 2HZ LYS 5 2HZ LYS 5 -19.371 2.006 11.951 46 3HZ LYS 5 3HZ LYS 5 -19.785 1.632 10.355 47 H ALA 6 H ALA 6 -15.235 5.947 8.912 48 HA ALA 6 HA ALA 6 -13.046 6.503 8.670 49 1HB ALA 6 1HB ALA 6 -12.274 6.836 6.549 50 2HB ALA 6 2HB ALA 6 -13.563 7.966 6.137 51 3HB ALA 6 3HB ALA 6 -13.892 6.235 6.191 52 H VAL 7 H VAL 7 -11.507 8.352 8.463 53 HA VAL 7 HA VAL 7 -12.754 10.938 9.082 54 HB VAL 7 HB VAL 7 -10.570 9.592 10.677 55 1HG1 VAL 7 1HG1 VAL 7 -10.916 11.838 12.031 56 2HG1 VAL 7 2HG1 VAL 7 -11.335 12.452 10.432 57 3HG1 VAL 7 3HG1 VAL 7 -9.755 11.722 10.709 58 1HG2 VAL 7 1HG2 VAL 7 -13.160 9.243 11.036 59 2HG2 VAL 7 2HG2 VAL 7 -13.019 10.796 11.862 60 3HG2 VAL 7 3HG2 VAL 7 -12.060 9.418 12.404 61 H ILE 8 H ILE 8 -12.106 11.126 6.748 62 HA ILE 8 HA ILE 8 -9.749 11.023 5.550 63 HB ILE 8 HB ILE 8 -11.965 12.924 5.377 64 1HG1 ILE 8 2HG1 ILE 8 -11.226 12.559 2.868 65 2HG1 ILE 8 1HG1 ILE 8 -10.275 11.255 3.573 66 1HG2 ILE 8 1HG2 ILE 8 -9.765 13.938 3.745 67 2HG2 ILE 8 2HG2 ILE 8 -9.559 14.219 5.473 68 3HG2 ILE 8 3HG2 ILE 8 -11.003 14.809 4.650 69 1HD1 ILE 8 1HD1 ILE 8 -12.955 11.189 2.817 70 2HD1 ILE 8 2HD1 ILE 8 -12.963 11.191 4.581 71 3HD1 ILE 8 3HD1 ILE 8 -12.059 9.956 3.704 72 H LYS 9 H LYS 9 -7.885 12.304 5.288 73 HA LYS 9 HA LYS 9 -7.294 14.262 7.378 74 1HB LYS 9 2HB LYS 9 -5.642 11.788 6.843 75 2HB LYS 9 1HB LYS 9 -5.075 13.162 7.780 76 1HG LYS 9 2HG LYS 9 -7.617 11.801 8.546 77 2HG LYS 9 1HG LYS 9 -6.064 11.083 8.979 78 1HD LYS 9 2HD LYS 9 -5.966 12.447 10.731 79 2HD LYS 9 1HD LYS 9 -5.888 13.818 9.622 80 1HE LYS 9 2HE LYS 9 -8.568 13.146 9.647 81 2HE LYS 9 1HE LYS 9 -8.067 12.916 11.321 82 1HZ LYS 9 1HZ LYS 9 -8.839 15.177 10.884 83 2HZ LYS 9 2HZ LYS 9 -7.616 15.384 9.734 84 3HZ LYS 9 3HZ LYS 9 -7.216 15.157 11.362 85 H ASN 10 H ASN 10 -7.092 13.163 4.219 86 HA ASN 10 HA ASN 10 -5.965 15.501 3.198 87 1HB ASN 10 2HB ASN 10 -3.977 13.988 4.317 88 2HB ASN 10 1HB ASN 10 -3.944 13.435 2.645 89 1HD2 ASN 10 1HD2 ASN 10 -4.416 16.549 4.288 90 2HD2 ASN 10 2HD2 ASN 10 -3.255 17.414 3.346 91 H ALA 11 H ALA 11 -7.363 15.458 1.539 92 HA ALA 11 HA ALA 11 -7.072 13.286 -0.405 93 1HB ALA 11 1HB ALA 11 -9.830 14.252 -0.029 94 2HB ALA 11 2HB ALA 11 -9.178 13.247 1.265 95 3HB ALA 11 3HB ALA 11 -9.231 12.632 -0.387 96 H ASP 12 H ASP 12 -6.905 13.990 -2.430 97 HA ASP 12 HA ASP 12 -7.793 16.726 -3.034 98 1HB ASP 12 2HB ASP 12 -5.377 15.298 -4.170 99 2HB ASP 12 1HB ASP 12 -5.909 16.921 -4.600 100 H MET 13 H MET 13 -9.085 14.075 -3.328 101 HA MET 13 HA MET 13 -9.340 13.922 -6.249 102 1HB MET 13 2HB MET 13 -8.830 11.792 -5.307 103 2HB MET 13 1HB MET 13 -10.047 11.979 -4.053 104 1HG MET 13 2HG MET 13 -11.772 11.450 -5.448 105 2HG MET 13 1HG MET 13 -10.928 12.018 -6.888 106 1HE MET 13 1HE MET 13 -10.833 9.591 -4.023 107 2HE MET 13 2HE MET 13 -9.133 9.263 -4.354 108 3HE MET 13 3HE MET 13 -10.353 8.041 -4.715 109 H SER 14 H SER 14 -11.631 13.312 -6.981 110 HA SER 14 HA SER 14 -13.348 15.411 -6.639 111 1HB SER 14 2HB SER 14 -13.441 12.879 -7.923 112 2HB SER 14 1HB SER 14 -14.950 13.073 -7.031 113 HG SER 14 HG SER 14 -14.001 15.219 -8.558 114 H GLU 15 H GLU 15 -14.975 15.981 -5.272 115 HA GLU 15 HA GLU 15 -14.932 15.247 -2.619 116 1HB GLU 15 2HB GLU 15 -17.258 16.311 -4.233 117 2HB GLU 15 1HB GLU 15 -17.209 16.257 -2.476 118 1HG GLU 15 2HG GLU 15 -16.491 18.373 -2.722 119 2HG GLU 15 1HG GLU 15 -14.929 17.581 -2.934 120 H GLU 16 H GLU 16 -17.534 14.306 -4.883 121 HA GLU 16 HA GLU 16 -18.658 12.360 -3.222 122 1HB GLU 16 2HB GLU 16 -19.936 13.147 -5.076 123 2HB GLU 16 1HB GLU 16 -18.683 12.691 -6.222 124 1HG GLU 16 2HG GLU 16 -19.250 10.475 -6.177 125 2HG GLU 16 1HG GLU 16 -19.938 10.571 -4.557 126 H MET 17 H MET 17 -15.747 12.363 -4.965 127 HA MET 17 HA MET 17 -15.531 9.499 -5.268 128 1HB MET 17 2HB MET 17 -13.756 11.842 -5.833 129 2HB MET 17 1HB MET 17 -13.049 10.235 -5.743 130 1HG MET 17 2HG MET 17 -15.414 10.238 -7.390 131 2HG MET 17 1HG MET 17 -14.242 11.431 -7.947 132 1HE MET 17 1HE MET 17 -14.801 7.858 -6.776 133 2HE MET 17 2HE MET 17 -13.149 7.931 -6.161 134 3HE MET 17 3HE MET 17 -13.528 6.912 -7.549 135 H GLN 18 H GLN 18 -14.305 11.992 -3.087 136 HA GLN 18 HA GLN 18 -12.565 10.294 -1.627 137 1HB GLN 18 2HB GLN 18 -13.325 12.275 0.150 138 2HB GLN 18 1HB GLN 18 -11.959 12.346 -0.953 139 1HG GLN 18 2HG GLN 18 -14.151 13.103 -2.482 140 2HG GLN 18 1HG GLN 18 -14.385 13.889 -0.921 141 1HE2 GLN 18 1HE2 GLN 18 -11.155 13.327 -1.352 142 2HE2 GLN 18 2HE2 GLN 18 -10.684 14.867 -1.976 143 H GLN 19 H GLN 19 -15.950 11.181 -1.306 144 HA GLN 19 HA GLN 19 -16.316 9.809 1.186 145 1HB GLN 19 2HB GLN 19 -18.238 10.951 -0.846 146 2HB GLN 19 1HB GLN 19 -18.781 10.105 0.597 147 1HG GLN 19 2HG GLN 19 -18.444 11.880 1.887 148 2HG GLN 19 1HG GLN 19 -16.846 12.176 1.203 149 1HE2 GLN 19 1HE2 GLN 19 -16.585 13.819 -0.169 150 2HE2 GLN 19 2HE2 GLN 19 -17.861 14.800 -0.798 151 H ASP 20 H ASP 20 -16.719 9.118 -2.224 152 HA ASP 20 HA ASP 20 -18.034 6.620 -1.890 153 1HB ASP 20 2HB ASP 20 -16.810 8.123 -4.128 154 2HB ASP 20 1HB ASP 20 -16.837 6.373 -4.313 155 H SER 21 H SER 21 -14.708 7.685 -2.068 156 HA SER 21 HA SER 21 -13.492 5.152 -2.329 157 1HB SER 21 2HB SER 21 -11.948 6.800 -2.751 158 2HB SER 21 1HB SER 21 -12.605 7.878 -1.521 159 HG SER 21 HG SER 21 -10.472 6.429 -1.304 160 H VAL 22 H VAL 22 -14.327 7.146 0.480 161 HA VAL 22 HA VAL 22 -13.271 5.524 2.484 162 HB VAL 22 HB VAL 22 -15.755 7.243 2.555 163 1HG1 VAL 22 1HG1 VAL 22 -15.953 5.693 4.341 164 2HG1 VAL 22 2HG1 VAL 22 -15.355 7.196 5.044 165 3HG1 VAL 22 3HG1 VAL 22 -14.246 5.854 4.758 166 1HG2 VAL 22 1HG2 VAL 22 -12.865 7.737 3.204 167 2HG2 VAL 22 2HG2 VAL 22 -14.154 8.737 3.875 168 3HG2 VAL 22 3HG2 VAL 22 -13.926 8.647 2.129 169 H GLU 23 H GLU 23 -16.550 5.529 1.093 170 HA GLU 23 HA GLU 23 -17.591 3.406 2.573 171 1HB GLU 23 2HB GLU 23 -18.250 4.149 -0.286 172 2HB GLU 23 1HB GLU 23 -19.256 3.191 0.791 173 1HG GLU 23 2HG GLU 23 -18.452 6.002 1.453 174 2HG GLU 23 1HG GLU 23 -19.869 5.635 0.470 175 H CYS 24 H CYS 24 -15.573 3.449 -0.293 176 HA CYS 24 HA CYS 24 -15.831 0.685 -0.922 177 1HB CYS 24 2HB CYS 24 -14.764 2.808 -2.229 178 2HB CYS 24 1HB CYS 24 -13.296 2.057 -1.612 179 HG CYS 24 HG CYS 24 -15.050 0.975 -3.855 180 H ALA 25 H ALA 25 -13.766 2.571 1.171 181 HA ALA 25 HA ALA 25 -11.932 0.460 1.791 182 1HB ALA 25 1HB ALA 25 -12.553 3.127 3.046 183 2HB ALA 25 2HB ALA 25 -11.110 2.646 2.155 184 3HB ALA 25 3HB ALA 25 -11.405 2.000 3.770 185 H THR 26 H THR 26 -14.864 1.805 3.078 186 HA THR 26 HA THR 26 -15.008 0.283 5.456 187 HB THR 26 HB THR 26 -17.243 1.518 3.837 188 HG1 THR 26 1HG THR 26 -15.317 2.607 5.516 189 1HG2 THR 26 1HG2 THR 26 -17.102 0.940 6.777 190 2HG2 THR 26 2HG2 THR 26 -18.028 0.016 5.594 191 3HG2 THR 26 3HG2 THR 26 -18.437 1.703 5.913 192 H GLN 27 H GLN 27 -16.140 -0.159 2.155 193 HA GLN 27 HA GLN 27 -17.761 -2.407 2.530 194 1HB GLN 27 2HB GLN 27 -16.495 -1.036 0.294 195 2HB GLN 27 1HB GLN 27 -16.549 -2.777 0.053 196 1HG GLN 27 2HG GLN 27 -19.065 -2.353 0.884 197 2HG GLN 27 1HG GLN 27 -18.729 -0.799 0.122 198 1HE2 GLN 27 1HE2 GLN 27 -17.718 -0.976 -2.088 199 2HE2 GLN 27 2HE2 GLN 27 -18.363 -2.179 -3.146 200 H ALA 28 H ALA 28 -14.307 -2.078 1.897 201 HA ALA 28 HA ALA 28 -13.783 -4.893 1.905 202 1HB ALA 28 1HB ALA 28 -12.339 -2.549 1.292 203 2HB ALA 28 2HB ALA 28 -11.820 -4.223 1.092 204 3HB ALA 28 3HB ALA 28 -11.459 -3.360 2.587 205 H LEU 29 H LEU 29 -14.043 -2.383 4.265 206 HA LEU 29 HA LEU 29 -12.668 -3.726 6.371 207 1HB LEU 29 2HB LEU 29 -14.497 -1.360 6.238 208 2HB LEU 29 1HB LEU 29 -13.979 -2.013 7.782 209 HG LEU 29 HG LEU 29 -11.785 -1.521 5.902 210 1HD1 LEU 29 1HD1 LEU 29 -12.213 1.013 6.926 211 2HD1 LEU 29 2HD1 LEU 29 -13.792 0.510 6.323 212 3HD1 LEU 29 3HD1 LEU 29 -12.394 0.506 5.247 213 1HD2 LEU 29 1HD2 LEU 29 -10.739 -0.618 7.883 214 2HD2 LEU 29 2HD2 LEU 29 -11.506 -2.160 8.264 215 3HD2 LEU 29 3HD2 LEU 29 -12.278 -0.649 8.744 216 H GLU 30 H GLU 30 -15.996 -3.522 5.278 217 HA GLU 30 HA GLU 30 -17.077 -4.909 7.549 218 1HB GLU 30 2HB GLU 30 -18.093 -3.563 5.185 219 2HB GLU 30 1HB GLU 30 -18.925 -5.087 5.464 220 1HG GLU 30 2HG GLU 30 -19.105 -4.208 7.914 221 2HG GLU 30 1HG GLU 30 -18.834 -2.640 7.158 222 H LYS 31 H LYS 31 -15.825 -5.735 4.416 223 HA LYS 31 HA LYS 31 -16.846 -8.447 4.503 224 1HB LYS 31 2HB LYS 31 -14.858 -7.209 2.590 225 2HB LYS 31 1HB LYS 31 -15.694 -8.741 2.379 226 1HG LYS 31 2HG LYS 31 -16.978 -6.018 2.448 227 2HG LYS 31 1HG LYS 31 -16.697 -7.005 1.012 228 1HD LYS 31 2HD LYS 31 -18.298 -8.581 1.635 229 2HD LYS 31 1HD LYS 31 -18.284 -8.066 3.322 230 1HE LYS 31 2HE LYS 31 -19.092 -5.785 2.167 231 2HE LYS 31 1HE LYS 31 -19.729 -6.943 0.999 232 1HZ LYS 31 1HZ LYS 31 -20.214 -7.303 3.886 233 2HZ LYS 31 2HZ LYS 31 -21.103 -7.901 2.577 234 3HZ LYS 31 3HZ LYS 31 -21.187 -6.259 2.977 235 H TYR 32 H TYR 32 -13.879 -6.710 5.130 236 HA TYR 32 HA TYR 32 -12.833 -8.948 6.614 237 1HB TYR 32 2HB TYR 32 -10.644 -8.172 4.978 238 2HB TYR 32 1HB TYR 32 -11.415 -9.750 5.086 239 HD1 TYR 32 1HD TYR 32 -11.766 -6.449 3.388 240 HD2 TYR 32 2HD TYR 32 -12.474 -10.641 3.219 241 HE1 TYR 32 1HE TYR 32 -12.548 -6.218 1.068 242 HE2 TYR 32 2HE TYR 32 -13.258 -10.422 0.899 243 HH TYR 32 HH TYR 32 -14.259 -7.779 -0.462 244 H ASN 33 H ASN 33 -11.416 -8.320 8.192 245 HA ASN 33 HA ASN 33 -10.967 -5.424 8.410 246 1HB ASN 33 2HB ASN 33 -10.361 -6.388 10.879 247 2HB ASN 33 1HB ASN 33 -11.966 -5.846 10.399 248 1HD2 ASN 33 1HD2 ASN 33 -10.208 -8.347 11.694 249 2HD2 ASN 33 2HD2 ASN 33 -11.363 -9.618 11.504 250 H ILE 34 H ILE 34 -9.301 -7.224 6.823 251 HA ILE 34 HA ILE 34 -6.785 -7.170 8.345 252 HB ILE 34 HB ILE 34 -7.372 -8.577 5.741 253 1HG1 ILE 34 2HG1 ILE 34 -8.647 -9.617 7.503 254 2HG1 ILE 34 1HG1 ILE 34 -7.265 -10.646 7.135 255 1HG2 ILE 34 1HG2 ILE 34 -5.234 -9.368 5.732 256 2HG2 ILE 34 2HG2 ILE 34 -5.074 -9.267 7.485 257 3HG2 ILE 34 3HG2 ILE 34 -4.963 -7.805 6.504 258 1HD1 ILE 34 1HD1 ILE 34 -6.867 -8.667 9.272 259 2HD1 ILE 34 2HD1 ILE 34 -6.339 -10.345 9.157 260 3HD1 ILE 34 3HD1 ILE 34 -8.002 -9.973 9.614 261 H GLU 35 H GLU 35 -5.695 -5.336 8.070 262 HA GLU 35 HA GLU 35 -5.894 -3.274 6.461 263 1HB GLU 35 2HB GLU 35 -3.409 -4.693 7.341 264 2HB GLU 35 1HB GLU 35 -3.276 -3.289 6.292 265 1HG GLU 35 2HG GLU 35 -3.202 -2.157 8.217 266 2HG GLU 35 1HG GLU 35 -4.955 -2.338 8.178 267 H LYS 36 H LYS 36 -3.301 -5.367 5.325 268 HA LYS 36 HA LYS 36 -3.244 -4.667 2.728 269 1HB LYS 36 2HB LYS 36 -2.764 -7.274 2.366 270 2HB LYS 36 1HB LYS 36 -1.608 -6.193 3.131 271 1HG LYS 36 2HG LYS 36 -1.985 -7.048 5.226 272 2HG LYS 36 1HG LYS 36 -3.613 -7.599 4.827 273 1HD LYS 36 2HD LYS 36 -2.549 -9.295 3.306 274 2HD LYS 36 1HD LYS 36 -0.992 -8.829 3.993 275 1HE LYS 36 2HE LYS 36 -2.097 -9.316 6.268 276 2HE LYS 36 1HE LYS 36 -3.314 -10.178 5.326 277 1HZ LYS 36 1HZ LYS 36 -0.432 -10.777 5.587 278 2HZ LYS 36 2HZ LYS 36 -1.347 -11.394 4.305 279 3HZ LYS 36 3HZ LYS 36 -1.752 -11.789 5.899 280 H ASP 37 H ASP 37 -5.612 -6.782 4.221 281 HA ASP 37 HA ASP 37 -6.807 -7.739 1.843 282 1HB ASP 37 2HB ASP 37 -7.084 -8.707 4.163 283 2HB ASP 37 1HB ASP 37 -8.181 -7.374 4.509 284 H ILE 38 H ILE 38 -7.740 -5.099 4.045 285 HA ILE 38 HA ILE 38 -9.990 -4.230 2.640 286 HB ILE 38 HB ILE 38 -8.135 -2.439 4.204 287 1HG1 ILE 38 2HG1 ILE 38 -10.471 -3.741 5.506 288 2HG1 ILE 38 1HG1 ILE 38 -9.051 -4.745 5.222 289 1HG2 ILE 38 1HG2 ILE 38 -9.832 -0.939 4.317 290 2HG2 ILE 38 2HG2 ILE 38 -11.083 -2.182 4.278 291 3HG2 ILE 38 3HG2 ILE 38 -10.269 -1.704 2.789 292 1HD1 ILE 38 1HD1 ILE 38 -8.255 -3.957 7.130 293 2HD1 ILE 38 2HD1 ILE 38 -9.517 -2.729 7.226 294 3HD1 ILE 38 3HD1 ILE 38 -8.041 -2.408 6.316 295 H ALA 39 H ALA 39 -6.593 -3.259 2.371 296 HA ALA 39 HA ALA 39 -6.927 -1.200 0.501 297 1HB ALA 39 1HB ALA 39 -4.499 -1.866 -0.127 298 2HB ALA 39 2HB ALA 39 -4.636 -2.976 1.237 299 3HB ALA 39 3HB ALA 39 -4.834 -1.241 1.487 300 H ALA 40 H ALA 40 -6.521 -4.682 0.093 301 HA ALA 40 HA ALA 40 -6.263 -4.671 -2.723 302 1HB ALA 40 1HB ALA 40 -7.299 -7.107 -2.269 303 2HB ALA 40 2HB ALA 40 -6.774 -6.699 -0.635 304 3HB ALA 40 3HB ALA 40 -5.610 -6.702 -1.960 305 H HIS 41 H HIS 41 -9.055 -5.678 -0.750 306 HA HIS 41 HA HIS 41 -10.961 -5.956 -2.661 307 1HB HIS 41 2HB HIS 41 -11.687 -6.464 -0.514 308 2HB HIS 41 1HB HIS 41 -11.069 -4.965 0.163 309 HD1 HIS 41 1HD HIS 41 -14.136 -6.489 -0.272 310 HD2 HIS 41 2HD HIS 41 -12.736 -2.702 -1.250 311 HE1 HIS 41 1HE HIS 41 -16.186 -5.051 -0.492 312 HE2 HIS 41 2HE HIS 41 -15.319 -2.782 -1.157 313 H ILE 42 H ILE 42 -10.480 -2.902 -0.879 314 HA ILE 42 HA ILE 42 -12.137 -1.254 -2.276 315 HB ILE 42 HB ILE 42 -9.375 -0.497 -1.318 316 1HG1 ILE 42 2HG1 ILE 42 -11.868 0.015 0.246 317 2HG1 ILE 42 1HG1 ILE 42 -11.180 -1.606 0.273 318 1HG2 ILE 42 1HG2 ILE 42 -11.661 1.396 -1.343 319 2HG2 ILE 42 2HG2 ILE 42 -10.865 1.034 -2.875 320 3HG2 ILE 42 3HG2 ILE 42 -9.934 1.701 -1.533 321 1HD1 ILE 42 1HD1 ILE 42 -10.273 -0.537 2.134 322 2HD1 ILE 42 2HD1 ILE 42 -9.973 0.957 1.245 323 3HD1 ILE 42 3HD1 ILE 42 -8.991 -0.472 0.925 324 H LYS 43 H LYS 43 -8.643 -1.413 -2.982 325 HA LYS 43 HA LYS 43 -8.535 0.003 -5.285 326 1HB LYS 43 2HB LYS 43 -6.609 -1.113 -4.119 327 2HB LYS 43 1HB LYS 43 -7.070 -2.613 -4.914 328 1HG LYS 43 2HG LYS 43 -6.475 -0.121 -6.470 329 2HG LYS 43 1HG LYS 43 -5.203 -1.237 -5.967 330 1HD LYS 43 2HD LYS 43 -7.435 -2.629 -7.180 331 2HD LYS 43 1HD LYS 43 -6.761 -1.409 -8.262 332 1HE LYS 43 2HE LYS 43 -4.810 -2.516 -8.512 333 2HE LYS 43 1HE LYS 43 -4.793 -3.073 -6.839 334 1HZ LYS 43 1HZ LYS 43 -5.713 -5.002 -7.412 335 2HZ LYS 43 2HZ LYS 43 -5.342 -4.603 -9.013 336 3HZ LYS 43 3HZ LYS 43 -6.881 -4.273 -8.395 337 H LYS 44 H LYS 44 -8.805 -3.556 -5.358 338 HA LYS 44 HA LYS 44 -9.286 -4.038 -7.947 339 1HB LYS 44 2HB LYS 44 -9.319 -5.855 -6.393 340 2HB LYS 44 1HB LYS 44 -10.740 -5.213 -5.580 341 1HG LYS 44 2HG LYS 44 -11.381 -7.088 -6.932 342 2HG LYS 44 1HG LYS 44 -12.054 -5.615 -7.633 343 1HD LYS 44 2HD LYS 44 -10.702 -5.707 -9.469 344 2HD LYS 44 1HD LYS 44 -9.393 -6.508 -8.598 345 1HE LYS 44 2HE LYS 44 -10.042 -8.412 -9.545 346 2HE LYS 44 1HE LYS 44 -11.499 -8.329 -8.556 347 1HZ LYS 44 1HZ LYS 44 -12.483 -6.953 -10.383 348 2HZ LYS 44 2HZ LYS 44 -12.189 -8.568 -10.787 349 3HZ LYS 44 3HZ LYS 44 -11.143 -7.356 -11.333 350 H GLU 45 H GLU 45 -11.855 -3.124 -5.672 351 HA GLU 45 HA GLU 45 -13.937 -2.958 -7.521 352 1HB GLU 45 2HB GLU 45 -13.475 -2.190 -4.770 353 2HB GLU 45 1HB GLU 45 -14.439 -0.978 -5.602 354 1HG GLU 45 2HG GLU 45 -15.064 -3.845 -5.058 355 2HG GLU 45 1HG GLU 45 -16.029 -2.405 -4.732 356 H PHE 46 H PHE 46 -12.328 -0.145 -6.037 357 HA PHE 46 HA PHE 46 -13.212 1.872 -7.567 358 1HB PHE 46 2HB PHE 46 -10.731 1.348 -6.125 359 2HB PHE 46 1HB PHE 46 -10.507 2.470 -7.464 360 HD1 PHE 46 1HD PHE 46 -12.546 1.860 -4.428 361 HD2 PHE 46 2HD PHE 46 -11.137 4.705 -7.261 362 HE1 PHE 46 1HE PHE 46 -13.451 3.681 -3.043 363 HE2 PHE 46 2HE PHE 46 -12.038 6.532 -5.882 364 HZ PHE 46 HZ PHE 46 -13.195 6.022 -3.770 365 H ASP 47 H ASP 47 -10.413 -0.143 -8.469 366 HA ASP 47 HA ASP 47 -9.890 1.006 -10.939 367 1HB ASP 47 2HB ASP 47 -8.337 -0.560 -9.971 368 2HB ASP 47 1HB ASP 47 -9.535 -1.851 -10.019 369 H LYS 48 H LYS 48 -12.239 -1.457 -10.049 370 HA LYS 48 HA LYS 48 -13.191 -1.537 -12.823 371 1HB LYS 48 2HB LYS 48 -13.336 -3.444 -10.531 372 2HB LYS 48 1HB LYS 48 -14.607 -3.491 -11.745 373 1HG LYS 48 2HG LYS 48 -12.021 -3.420 -13.000 374 2HG LYS 48 1HG LYS 48 -12.116 -4.745 -11.837 375 1HD LYS 48 2HD LYS 48 -12.839 -5.455 -14.065 376 2HD LYS 48 1HD LYS 48 -14.162 -5.545 -12.900 377 1HE LYS 48 2HE LYS 48 -15.387 -4.063 -14.033 378 2HE LYS 48 1HE LYS 48 -14.024 -2.961 -14.214 379 1HZ LYS 48 1HZ LYS 48 -13.290 -4.126 -16.129 380 2HZ LYS 48 2HZ LYS 48 -14.945 -3.844 -16.335 381 3HZ LYS 48 3HZ LYS 48 -14.401 -5.381 -15.888 382 H LYS 49 H LYS 49 -13.706 0.385 -10.406 383 HA LYS 49 HA LYS 49 -16.602 0.522 -10.853 384 1HB LYS 49 2HB LYS 49 -15.173 0.220 -8.328 385 2HB LYS 49 1HB LYS 49 -16.256 1.605 -8.333 386 1HG LYS 49 2HG LYS 49 -17.132 -1.147 -9.158 387 2HG LYS 49 1HG LYS 49 -17.219 -0.567 -7.494 388 1HD LYS 49 2HD LYS 49 -18.388 1.155 -9.609 389 2HD LYS 49 1HD LYS 49 -19.251 -0.328 -9.199 390 1HE LYS 49 2HE LYS 49 -19.157 0.375 -6.803 391 2HE LYS 49 1HE LYS 49 -18.486 1.916 -7.337 392 1HZ LYS 49 1HZ LYS 49 -21.100 1.439 -7.018 393 2HZ LYS 49 2HZ LYS 49 -20.929 1.119 -8.669 394 3HZ LYS 49 3HZ LYS 49 -20.476 2.626 -8.050 395 H TYR 50 H TYR 50 -13.930 1.984 -11.661 396 HA TYR 50 HA TYR 50 -15.180 4.575 -11.815 397 1HB TYR 50 2HB TYR 50 -12.610 4.236 -10.261 398 2HB TYR 50 1HB TYR 50 -13.290 5.783 -10.754 399 HD1 TYR 50 1HD TYR 50 -15.743 6.240 -9.958 400 HD2 TYR 50 2HD TYR 50 -13.144 3.383 -8.175 401 HE1 TYR 50 1HE TYR 50 -17.088 6.309 -7.901 402 HE2 TYR 50 2HE TYR 50 -14.481 3.444 -6.112 403 HH TYR 50 HH TYR 50 -17.386 4.354 -5.827 404 H ASN 51 H ASN 51 -11.871 3.226 -12.037 405 HA ASN 51 HA ASN 51 -11.595 2.975 -14.718 406 1HB ASN 51 2HB ASN 51 -12.170 5.643 -14.270 407 2HB ASN 51 1HB ASN 51 -10.416 5.635 -14.425 408 1HD2 ASN 51 1HD2 ASN 51 -12.069 3.129 -16.036 409 2HD2 ASN 51 2HD2 ASN 51 -11.968 3.776 -17.635 410 HA PRO 52 HA PRO 52 -7.912 1.493 -12.550 411 1HB PRO 52 2HB PRO 52 -7.300 0.917 -15.420 412 2HB PRO 52 1HB PRO 52 -7.080 -0.109 -13.997 413 1HG PRO 52 2HG PRO 52 -9.122 -0.528 -15.633 414 2HG PRO 52 1HG PRO 52 -9.338 -0.647 -13.876 415 1HD PRO 52 2HD PRO 52 -10.189 1.508 -15.750 416 2HD PRO 52 1HD PRO 52 -10.979 0.916 -14.273 417 H THR 53 H THR 53 -5.157 3.592 -13.270 418 HA THR 53 HA THR 53 -6.403 1.237 -12.023 419 HB THR 53 HB THR 53 -3.459 1.842 -12.362 420 HG1 THR 53 1HG THR 53 -4.072 1.098 -14.279 421 1HG2 THR 53 1HG2 THR 53 -3.183 0.452 -10.648 422 2HG2 THR 53 2HG2 THR 53 -3.664 -0.814 -11.778 423 3HG2 THR 53 3HG2 THR 53 -4.858 -0.095 -10.699 424 H TRP 54 H TRP 54 -6.679 1.258 -9.864 425 HA TRP 54 HA TRP 54 -5.863 3.684 -8.451 426 1HB TRP 54 2HB TRP 54 -7.818 1.523 -7.647 427 2HB TRP 54 1HB TRP 54 -7.507 3.005 -6.751 428 HD1 TRP 54 HD TRP 54 -8.941 1.880 -10.164 429 HE1 TRP 54 1HE TRP 54 -10.660 3.638 -10.922 430 HE3 TRP 54 3HE TRP 54 -8.297 5.312 -6.427 431 HZ2 TRP 54 2HZ TRP 54 -11.619 6.148 -10.052 432 HZ3 TRP 54 3HZ TRP 54 -9.652 7.365 -6.465 433 HH2 TRP 54 HH TRP 54 -11.277 7.776 -8.239 434 H HIS 55 H HIS 55 -4.715 3.693 -6.573 435 HA HIS 55 HA HIS 55 -3.598 1.147 -5.613 436 1HB HIS 55 2HB HIS 55 -1.836 3.543 -5.540 437 2HB HIS 55 1HB HIS 55 -1.418 1.847 -5.766 438 HD1 HIS 55 1HD HIS 55 -1.035 4.755 -7.538 439 HD2 HIS 55 2HD HIS 55 -2.800 1.126 -8.532 440 HE1 HIS 55 1HE HIS 55 -1.038 4.675 -10.051 441 HE2 HIS 55 2HE HIS 55 -2.033 2.434 -10.629 442 H CYS 56 H CYS 56 -4.321 0.946 -3.571 443 HA CYS 56 HA CYS 56 -4.373 3.382 -1.916 444 1HB CYS 56 2HB CYS 56 -6.417 2.793 -0.965 445 2HB CYS 56 1HB CYS 56 -6.624 2.377 -2.662 446 HG CYS 56 HG CYS 56 -7.410 0.482 -0.860 447 H ILE 57 H ILE 57 -4.062 3.151 0.321 448 HA ILE 57 HA ILE 57 -2.815 0.634 1.199 449 HB ILE 57 HB ILE 57 -1.767 3.378 1.908 450 1HG1 ILE 57 2HG1 ILE 57 -1.100 3.101 -0.330 451 2HG1 ILE 57 1HG1 ILE 57 0.284 2.537 0.597 452 1HG2 ILE 57 1HG2 ILE 57 -0.414 2.407 3.404 453 2HG2 ILE 57 2HG2 ILE 57 -0.095 1.018 2.366 454 3HG2 ILE 57 3HG2 ILE 57 -1.565 1.073 3.338 455 1HD1 ILE 57 1HD1 ILE 57 -1.047 1.202 -1.445 456 2HD1 ILE 57 2HD1 ILE 57 -1.515 0.367 0.037 457 3HD1 ILE 57 3HD1 ILE 57 0.191 0.552 -0.370 458 H VAL 58 H VAL 58 -4.060 -0.131 2.783 459 HA VAL 58 HA VAL 58 -5.415 1.778 4.556 460 HB VAL 58 HB VAL 58 -6.959 0.278 3.482 461 1HG1 VAL 58 1HG1 VAL 58 -5.764 -1.583 2.813 462 2HG1 VAL 58 2HG1 VAL 58 -6.735 -2.219 4.142 463 3HG1 VAL 58 3HG1 VAL 58 -5.038 -1.815 4.403 464 1HG2 VAL 58 1HG2 VAL 58 -7.700 0.794 5.634 465 2HG2 VAL 58 2HG2 VAL 58 -6.461 -0.200 6.400 466 3HG2 VAL 58 3HG2 VAL 58 -7.814 -0.965 5.568 467 H GLY 59 H GLY 59 -4.859 1.949 6.622 468 1HA GLY 59 2HA GLY 59 -3.667 -0.259 8.055 469 2HA GLY 59 1HA GLY 59 -2.581 1.095 7.771 470 H ARG 60 H ARG 60 -3.073 0.441 10.332 471 HA ARG 60 HA ARG 60 -4.770 2.670 11.221 472 1HB ARG 60 2HB ARG 60 -5.224 1.089 13.264 473 2HB ARG 60 1HB ARG 60 -6.188 0.957 11.799 474 1HG ARG 60 2HG ARG 60 -4.566 -0.851 11.069 475 2HG ARG 60 1HG ARG 60 -3.962 -0.831 12.727 476 1HD ARG 60 2HD ARG 60 -6.806 -0.934 12.797 477 2HD ARG 60 1HD ARG 60 -6.228 -2.179 11.690 478 HE ARG 60 HE ARG 60 -5.286 -1.937 14.476 479 1HH1 ARG 60 1HH1 ARG 60 -6.347 -3.828 11.751 480 2HH1 ARG 60 2HH1 ARG 60 -6.121 -5.348 12.551 481 1HH2 ARG 60 1HH2 ARG 60 -4.977 -3.933 15.538 482 2HH2 ARG 60 2HH2 ARG 60 -5.341 -5.407 14.703 483 H ASN 61 H ASN 61 -1.946 2.587 10.835 484 HA ASN 61 HA ASN 61 -1.003 3.895 13.038 485 1HB ASN 61 2HB ASN 61 -1.332 1.262 13.777 486 2HB ASN 61 1HB ASN 61 0.375 1.326 13.344 487 1HD2 ASN 61 1HD2 ASN 61 -1.458 1.348 15.900 488 2HD2 ASN 61 2HD2 ASN 61 -0.631 2.472 16.920 489 H PHE 62 H PHE 62 -0.804 3.560 10.116 490 HA PHE 62 HA PHE 62 2.125 3.396 9.865 491 1HB PHE 62 2HB PHE 62 1.874 2.632 7.642 492 2HB PHE 62 1HB PHE 62 0.691 1.721 8.576 493 HD1 PHE 62 1HD PHE 62 1.220 4.026 5.875 494 HD2 PHE 62 2HD PHE 62 -1.712 2.415 8.501 495 HE1 PHE 62 1HE PHE 62 -0.554 4.799 4.359 496 HE2 PHE 62 2HE PHE 62 -3.493 3.183 6.989 497 HZ PHE 62 HZ PHE 62 -2.916 4.378 4.914 498 H GLY 63 H GLY 63 2.498 4.579 7.461 499 1HA GLY 63 2HA GLY 63 1.209 7.201 7.521 500 2HA GLY 63 1HA GLY 63 2.949 7.158 7.772 501 H SER 64 H SER 64 0.373 6.870 5.491 502 HA SER 64 HA SER 64 2.051 5.992 3.321 503 1HB SER 64 2HB SER 64 -0.017 6.481 1.939 504 2HB SER 64 1HB SER 64 -0.222 5.286 3.220 505 HG SER 64 HG SER 64 -1.667 7.403 2.857 506 H TYR 65 H TYR 65 2.877 7.163 1.669 507 HA TYR 65 HA TYR 65 2.330 10.008 1.446 508 1HB TYR 65 2HB TYR 65 4.171 9.897 3.080 509 2HB TYR 65 1HB TYR 65 5.125 8.957 1.939 510 HD1 TYR 65 1HD TYR 65 3.752 12.283 2.688 511 HD2 TYR 65 2HD TYR 65 6.225 10.015 0.072 512 HE1 TYR 65 1HE TYR 65 4.652 14.367 1.743 513 HE2 TYR 65 2HE TYR 65 7.133 12.094 -0.879 514 HH TYR 65 HH TYR 65 7.012 14.954 0.498 515 H VAL 66 H VAL 66 1.516 9.618 -0.600 516 HA VAL 66 HA VAL 66 3.521 8.852 -2.608 517 HB VAL 66 HB VAL 66 1.992 7.506 -3.815 518 1HG1 VAL 66 1HG1 VAL 66 1.334 5.782 -2.151 519 2HG1 VAL 66 2HG1 VAL 66 1.762 6.914 -0.868 520 3HG1 VAL 66 3HG1 VAL 66 3.001 6.330 -1.978 521 1HG2 VAL 66 1HG2 VAL 66 -0.369 7.166 -2.848 522 2HG2 VAL 66 2HG2 VAL 66 -0.044 8.644 -3.752 523 3HG2 VAL 66 3HG2 VAL 66 -0.078 8.678 -1.989 524 H THR 67 H THR 67 3.313 9.801 -4.645 525 HA THR 67 HA THR 67 2.058 12.395 -4.634 526 HB THR 67 HB THR 67 4.330 11.710 -5.690 527 HG1 THR 67 1HG THR 67 2.650 13.652 -6.158 528 1HG2 THR 67 1HG2 THR 67 3.362 11.551 -8.321 529 2HG2 THR 67 2HG2 THR 67 2.558 10.282 -7.397 530 3HG2 THR 67 3HG2 THR 67 4.320 10.365 -7.435 531 H HIS 68 H HIS 68 0.419 13.120 -6.023 532 HA HIS 68 HA HIS 68 -1.319 10.980 -7.008 533 1HB HIS 68 2HB HIS 68 -3.064 12.786 -7.069 534 2HB HIS 68 1HB HIS 68 -2.442 12.416 -5.466 535 HD1 HIS 68 1HD HIS 68 -0.039 14.427 -7.273 536 HD2 HIS 68 2HD HIS 68 -3.467 15.160 -5.042 537 HE1 HIS 68 1HE HIS 68 0.061 16.866 -6.667 538 HE2 HIS 68 2HE HIS 68 -1.981 17.266 -5.248 539 H GLU 69 H GLU 69 -2.397 11.199 -9.051 540 HA GLU 69 HA GLU 69 -1.029 12.978 -10.952 541 1HB GLU 69 2HB GLU 69 -1.918 10.385 -12.031 542 2HB GLU 69 1HB GLU 69 -0.456 11.303 -12.362 543 1HG GLU 69 2HG GLU 69 -0.636 10.073 -9.689 544 2HG GLU 69 1HG GLU 69 -0.483 8.966 -11.054 545 H THR 70 H THR 70 -3.519 10.538 -11.529 546 HA THR 70 HA THR 70 -5.124 12.303 -13.042 547 HB THR 70 HB THR 70 -5.914 9.678 -11.765 548 HG1 THR 70 1HG THR 70 -5.397 9.450 -14.346 549 1HG2 THR 70 1HG2 THR 70 -7.474 9.475 -13.636 550 2HG2 THR 70 2HG2 THR 70 -7.050 11.107 -14.156 551 3HG2 THR 70 3HG2 THR 70 -7.850 10.856 -12.604 552 H LYS 71 H LYS 71 -7.081 10.580 -10.863 553 HA LYS 71 HA LYS 71 -8.377 12.942 -9.953 554 1HB LYS 71 2HB LYS 71 -9.011 10.238 -10.078 555 2HB LYS 71 1HB LYS 71 -8.931 10.573 -8.354 556 1HG LYS 71 2HG LYS 71 -11.191 10.835 -9.282 557 2HG LYS 71 1HG LYS 71 -10.569 12.324 -8.570 558 1HD LYS 71 2HD LYS 71 -9.771 12.384 -11.250 559 2HD LYS 71 1HD LYS 71 -11.439 11.806 -11.267 560 1HE LYS 71 2HE LYS 71 -11.948 13.752 -9.699 561 2HE LYS 71 1HE LYS 71 -10.359 14.374 -10.141 562 1HZ LYS 71 1HZ LYS 71 -11.170 15.143 -12.039 563 2HZ LYS 71 2HZ LYS 71 -12.723 14.725 -11.515 564 3HZ LYS 71 3HZ LYS 71 -11.828 13.639 -12.452 565 H HIS 72 H HIS 72 -5.547 12.780 -9.269 566 HA HIS 72 HA HIS 72 -4.140 13.218 -7.538 567 1HB HIS 72 2HB HIS 72 -6.678 14.015 -6.096 568 2HB HIS 72 1HB HIS 72 -5.041 14.489 -5.659 569 HD1 HIS 72 1HD HIS 72 -6.597 14.592 -9.119 570 HD2 HIS 72 2HD HIS 72 -5.112 17.156 -6.205 571 HE1 HIS 72 1HE HIS 72 -6.604 16.877 -10.168 572 HE2 HIS 72 2HE HIS 72 -5.781 18.424 -8.358 573 H PHE 73 H PHE 73 -6.707 12.524 -5.276 574 HA PHE 73 HA PHE 73 -6.626 9.877 -4.818 575 1HB PHE 73 2HB PHE 73 -4.823 9.348 -3.349 576 2HB PHE 73 1HB PHE 73 -4.114 10.160 -4.741 577 HD1 PHE 73 1HD PHE 73 -4.813 12.988 -4.009 578 HD2 PHE 73 2HD PHE 73 -3.217 9.785 -1.706 579 HE1 PHE 73 1HE PHE 73 -3.728 14.611 -2.510 580 HE2 PHE 73 2HE PHE 73 -2.130 11.401 -0.204 581 HZ PHE 73 HZ PHE 73 -2.386 13.817 -0.603 582 H ILE 74 H ILE 74 -6.555 9.433 -2.191 583 HA ILE 74 HA ILE 74 -7.738 11.625 -0.723 584 HB ILE 74 HB ILE 74 -9.652 10.659 -2.001 585 1HG1 ILE 74 2HG1 ILE 74 -9.470 10.734 0.979 586 2HG1 ILE 74 1HG1 ILE 74 -10.383 11.766 -0.108 587 1HG2 ILE 74 1HG2 ILE 74 -8.651 8.197 -0.679 588 2HG2 ILE 74 2HG2 ILE 74 -9.351 8.418 -2.283 589 3HG2 ILE 74 3HG2 ILE 74 -10.396 8.376 -0.862 590 1HD1 ILE 74 1HD1 ILE 74 -11.468 9.141 -0.232 591 2HD1 ILE 74 2HD1 ILE 74 -12.216 10.628 0.349 592 3HD1 ILE 74 3HD1 ILE 74 -11.296 9.611 1.459 593 H TYR 75 H TYR 75 -7.279 11.463 1.379 594 HA TYR 75 HA TYR 75 -6.457 8.833 2.418 595 1HB TYR 75 2HB TYR 75 -4.634 10.651 2.106 596 2HB TYR 75 1HB TYR 75 -5.378 11.425 3.503 597 HD1 TYR 75 1HD TYR 75 -5.062 7.773 3.006 598 HD2 TYR 75 2HD TYR 75 -3.586 11.201 5.048 599 HE1 TYR 75 1HE TYR 75 -3.764 6.315 4.501 600 HE2 TYR 75 2HE TYR 75 -2.281 9.752 6.547 601 HH TYR 75 HH TYR 75 -1.988 6.321 5.994 602 H PHE 76 H PHE 76 -7.428 8.160 4.255 603 HA PHE 76 HA PHE 76 -8.755 10.060 5.998 604 1HB PHE 76 2HB PHE 76 -10.870 8.519 5.846 605 2HB PHE 76 1HB PHE 76 -10.626 9.799 4.663 606 HD1 PHE 76 1HD PHE 76 -9.241 9.046 2.533 607 HD2 PHE 76 2HD PHE 76 -11.433 6.435 5.079 608 HE1 PHE 76 1HE PHE 76 -9.377 7.394 0.714 609 HE2 PHE 76 2HE PHE 76 -11.574 4.777 3.266 610 HZ PHE 76 HZ PHE 76 -10.544 5.255 1.081 611 H TYR 77 H TYR 77 -9.700 8.972 7.929 612 HA TYR 77 HA TYR 77 -8.231 6.500 8.574 613 1HB TYR 77 2HB TYR 77 -7.213 8.392 9.721 614 2HB TYR 77 1HB TYR 77 -8.776 8.877 10.365 615 HD1 TYR 77 1HD TYR 77 -9.994 6.988 11.786 616 HD2 TYR 77 2HD TYR 77 -5.802 7.176 11.086 617 HE1 TYR 77 1HE TYR 77 -9.606 5.608 13.781 618 HE2 TYR 77 2HE TYR 77 -5.403 5.792 13.080 619 HH TYR 77 HH TYR 77 -6.449 5.126 15.098 620 H LEU 78 H LEU 78 -9.953 5.123 8.196 621 HA LEU 78 HA LEU 78 -12.600 5.414 8.849 622 1HB LEU 78 2HB LEU 78 -10.782 3.106 8.530 623 2HB LEU 78 1HB LEU 78 -12.281 2.789 9.381 624 HG LEU 78 HG LEU 78 -12.444 2.289 6.980 625 1HD1 LEU 78 1HD1 LEU 78 -14.249 3.670 8.556 626 2HD1 LEU 78 2HD1 LEU 78 -14.600 2.828 7.046 627 3HD1 LEU 78 3HD1 LEU 78 -14.242 4.555 7.031 628 1HD2 LEU 78 1HD2 LEU 78 -11.969 3.751 5.317 629 2HD2 LEU 78 2HD2 LEU 78 -10.882 4.408 6.539 630 3HD2 LEU 78 3HD2 LEU 78 -12.454 5.156 6.264 631 H GLY 79 H GLY 79 -13.825 4.263 10.613 632 1HA GLY 79 2HA GLY 79 -13.773 5.290 13.012 633 2HA GLY 79 1HA GLY 79 -14.042 3.562 12.856 634 H GLN 80 H GLN 80 -11.677 2.468 12.376 635 HA GLN 80 HA GLN 80 -9.790 3.534 14.354 636 1HB GLN 80 2HB GLN 80 -9.691 0.719 14.580 637 2HB GLN 80 1HB GLN 80 -10.194 1.881 15.799 638 1HG GLN 80 2HG GLN 80 -12.040 0.555 15.714 639 2HG GLN 80 1HG GLN 80 -12.476 1.764 14.508 640 1HE2 GLN 80 1HE2 GLN 80 -10.898 -1.387 14.838 641 2HE2 GLN 80 2HE2 GLN 80 -11.465 -2.024 13.336 642 H VAL 81 H VAL 81 -10.156 2.974 11.306 643 HA VAL 81 HA VAL 81 -7.442 1.895 10.922 644 HB VAL 81 HB VAL 81 -9.760 1.393 9.050 645 1HG1 VAL 81 1HG1 VAL 81 -7.800 -0.513 8.642 646 2HG1 VAL 81 2HG1 VAL 81 -6.894 0.978 8.897 647 3HG1 VAL 81 3HG1 VAL 81 -8.118 0.895 7.630 648 1HG2 VAL 81 1HG2 VAL 81 -8.663 -0.246 11.305 649 2HG2 VAL 81 2HG2 VAL 81 -9.420 -1.017 9.913 650 3HG2 VAL 81 3HG2 VAL 81 -10.342 0.114 10.903 651 H ALA 82 H ALA 82 -6.856 2.373 8.436 652 HA ALA 82 HA ALA 82 -7.764 5.052 7.695 653 1HB ALA 82 1HB ALA 82 -4.844 4.630 7.512 654 2HB ALA 82 2HB ALA 82 -5.506 4.859 9.131 655 3HB ALA 82 3HB ALA 82 -5.761 6.089 7.891 656 H ILE 83 H ILE 83 -7.671 5.479 5.499 657 HA ILE 83 HA ILE 83 -6.611 3.328 3.797 658 HB ILE 83 HB ILE 83 -9.014 4.699 2.779 659 1HG1 ILE 83 2HG1 ILE 83 -9.545 4.318 5.204 660 2HG1 ILE 83 1HG1 ILE 83 -10.593 3.448 4.090 661 1HG2 ILE 83 1HG2 ILE 83 -8.006 1.862 2.833 662 2HG2 ILE 83 2HG2 ILE 83 -8.007 2.981 1.470 663 3HG2 ILE 83 3HG2 ILE 83 -9.531 2.347 2.092 664 1HD1 ILE 83 1HD1 ILE 83 -10.159 1.824 5.632 665 2HD1 ILE 83 2HD1 ILE 83 -8.529 2.413 5.958 666 3HD1 ILE 83 3HD1 ILE 83 -8.864 1.516 4.476 667 H LEU 84 H LEU 84 -5.283 4.013 2.273 668 HA LEU 84 HA LEU 84 -5.359 6.855 1.501 669 1HB LEU 84 2HB LEU 84 -3.263 6.703 2.379 670 2HB LEU 84 1HB LEU 84 -3.146 4.980 2.082 671 HG LEU 84 HG LEU 84 -3.085 6.076 -0.462 672 1HD1 LEU 84 1HD1 LEU 84 -1.332 7.782 -0.351 673 2HD1 LEU 84 2HD1 LEU 84 -1.438 7.768 1.409 674 3HD1 LEU 84 3HD1 LEU 84 -2.813 8.309 0.448 675 1HD2 LEU 84 1HD2 LEU 84 -1.730 4.241 0.071 676 2HD2 LEU 84 2HD2 LEU 84 -0.966 5.083 1.419 677 3HD2 LEU 84 3HD2 LEU 84 -0.595 5.554 -0.239 678 H LEU 85 H LEU 85 -6.674 6.774 -0.273 679 HA LEU 85 HA LEU 85 -6.135 4.787 -2.345 680 1HB LEU 85 2HB LEU 85 -8.441 6.268 -1.454 681 2HB LEU 85 1HB LEU 85 -8.205 6.488 -3.177 682 HG LEU 85 HG LEU 85 -8.128 3.979 -3.394 683 1HD1 LEU 85 1HD1 LEU 85 -7.741 3.884 -0.775 684 2HD1 LEU 85 2HD1 LEU 85 -8.539 2.579 -1.653 685 3HD1 LEU 85 3HD1 LEU 85 -9.500 3.769 -0.775 686 1HD2 LEU 85 1HD2 LEU 85 -10.715 3.890 -2.661 687 2HD2 LEU 85 2HD2 LEU 85 -10.144 4.669 -4.137 688 3HD2 LEU 85 3HD2 LEU 85 -10.465 5.635 -2.697 689 H PHE 86 H PHE 86 -5.081 5.224 -4.171 690 HA PHE 86 HA PHE 86 -5.094 7.840 -5.347 691 1HB PHE 86 2HB PHE 86 -3.063 8.640 -4.783 692 2HB PHE 86 1HB PHE 86 -3.173 7.519 -3.435 693 HD1 PHE 86 1HD PHE 86 -1.794 5.563 -3.334 694 HD2 PHE 86 2HD PHE 86 -1.682 8.121 -6.733 695 HE1 PHE 86 1HE PHE 86 0.265 4.453 -4.096 696 HE2 PHE 86 2HE PHE 86 0.377 7.015 -7.502 697 HZ PHE 86 HZ PHE 86 1.353 5.178 -6.182 698 H LYS 87 H LYS 87 -5.262 7.500 -7.444 699 HA LYS 87 HA LYS 87 -4.029 5.083 -8.591 700 1HB LYS 87 2HB LYS 87 -5.738 5.233 -10.355 701 2HB LYS 87 1HB LYS 87 -6.455 5.070 -8.758 702 1HG LYS 87 2HG LYS 87 -6.921 7.460 -8.712 703 2HG LYS 87 1HG LYS 87 -6.179 7.639 -10.303 704 1HD LYS 87 2HD LYS 87 -8.354 5.641 -10.001 705 2HD LYS 87 1HD LYS 87 -8.799 7.349 -9.996 706 1HE LYS 87 2HE LYS 87 -6.975 7.025 -12.102 707 2HE LYS 87 1HE LYS 87 -8.078 5.654 -12.203 708 1HZ LYS 87 1HZ LYS 87 -9.405 7.073 -13.270 709 2HZ LYS 87 2HZ LYS 87 -8.561 8.439 -12.736 710 3HZ LYS 87 3HZ LYS 87 -9.741 7.735 -11.749 711 H SER 88 H SER 88 -2.984 5.218 -10.596 712 HA SER 88 HA SER 88 -2.102 7.931 -11.314 713 1HB SER 88 2HB SER 88 -0.506 5.945 -10.485 714 2HB SER 88 1HB SER 88 -0.547 5.564 -12.206 715 HG SER 88 HG SER 88 1.016 7.005 -12.210 716 H GLY 89 H GLY 89 -4.403 6.206 -12.213 717 1HA GLY 89 2HA GLY 89 -5.444 5.551 -14.176 718 2HA GLY 89 1HA GLY 89 -4.814 7.091 -14.740 719 1H MET 1 1HT MET 1 29.400 -4.986 8.835 720 2H MET 1 2HT MET 1 28.054 -6.038 8.666 721 3H MET 1 3HT MET 1 28.031 -4.793 9.848 722 HA MET 1 HA MET 1 28.547 -3.758 7.282 723 1HB MET 1 2HB MET 1 26.168 -5.555 7.703 724 2HB MET 1 1HB MET 1 26.118 -4.229 6.549 725 1HG MET 1 2HG MET 1 26.807 -5.825 5.129 726 2HG MET 1 1HG MET 1 28.392 -5.392 5.767 727 1HE MET 1 1HE MET 1 27.538 -8.779 4.575 728 2HE MET 1 2HE MET 1 29.092 -8.980 5.383 729 3HE MET 1 3HE MET 1 28.757 -7.509 4.471 730 H CYS 2 H CYS 2 26.623 -2.159 6.837 731 HA CYS 2 HA CYS 2 25.325 -1.201 9.240 732 1HB CYS 2 2HB CYS 2 27.837 -0.148 8.517 733 2HB CYS 2 1HB CYS 2 26.650 1.068 8.060 734 HG CYS 2 HG CYS 2 26.311 0.077 10.921 735 H ASP 3 H ASP 3 23.975 0.771 8.756 736 HA ASP 3 HA ASP 3 22.257 1.692 7.584 737 1HB ASP 3 2HB ASP 3 24.278 1.390 5.359 738 2HB ASP 3 1HB ASP 3 22.758 2.259 5.180 739 H ARG 4 H ARG 4 20.840 -0.070 7.909 740 HA ARG 4 HA ARG 4 19.689 -1.128 5.594 741 1HB ARG 4 2HB ARG 4 21.975 -2.537 6.257 742 2HB ARG 4 1HB ARG 4 20.687 -3.505 6.961 743 1HG ARG 4 2HG ARG 4 20.314 -4.387 4.969 744 2HG ARG 4 1HG ARG 4 19.817 -2.797 4.387 745 1HD ARG 4 2HD ARG 4 21.619 -2.664 3.099 746 2HD ARG 4 1HD ARG 4 22.671 -2.916 4.491 747 HE ARG 4 HE ARG 4 21.506 -5.126 2.922 748 1HH1 ARG 4 1HH1 ARG 4 24.136 -3.655 4.664 749 2HH1 ARG 4 2HH1 ARG 4 25.210 -4.993 4.433 750 1HH2 ARG 4 1HH2 ARG 4 22.912 -6.894 2.607 751 2HH2 ARG 4 2HH2 ARG 4 24.514 -6.837 3.262 752 H LYS 5 H LYS 5 19.625 -0.318 8.703 753 HA LYS 5 HA LYS 5 18.156 -2.137 10.131 754 1HB LYS 5 2HB LYS 5 18.637 0.698 10.247 755 2HB LYS 5 1HB LYS 5 16.961 0.366 10.666 756 1HG LYS 5 2HG LYS 5 18.073 -1.485 12.185 757 2HG LYS 5 1HG LYS 5 19.460 -0.400 12.073 758 1HD LYS 5 2HD LYS 5 17.667 1.429 12.666 759 2HD LYS 5 1HD LYS 5 16.789 0.046 13.322 760 1HE LYS 5 2HE LYS 5 18.567 1.480 14.734 761 2HE LYS 5 1HE LYS 5 18.236 -0.226 15.035 762 1HZ LYS 5 1HZ LYS 5 20.534 0.994 13.650 763 2HZ LYS 5 2HZ LYS 5 20.105 -0.612 13.339 764 3HZ LYS 5 3HZ LYS 5 20.528 -0.139 14.906 765 H ALA 6 H ALA 6 16.349 -3.183 9.705 766 HA ALA 6 HA ALA 6 13.860 -2.277 9.267 767 1HB ALA 6 1HB ALA 6 14.819 -1.121 7.247 768 2HB ALA 6 2HB ALA 6 13.414 -2.141 6.936 769 3HB ALA 6 3HB ALA 6 15.030 -2.716 6.527 770 H VAL 7 H VAL 7 12.513 -3.907 7.759 771 HA VAL 7 HA VAL 7 13.646 -6.593 7.880 772 HB VAL 7 HB VAL 7 11.007 -5.937 9.198 773 1HG1 VAL 7 1HG1 VAL 7 10.839 -8.122 8.402 774 2HG1 VAL 7 2HG1 VAL 7 11.371 -8.325 10.070 775 3HG1 VAL 7 3HG1 VAL 7 12.530 -8.481 8.751 776 1HG2 VAL 7 1HG2 VAL 7 13.683 -6.593 10.428 777 2HG2 VAL 7 2HG2 VAL 7 12.156 -6.529 11.309 778 3HG2 VAL 7 3HG2 VAL 7 12.802 -5.070 10.558 779 H ILE 8 H ILE 8 13.438 -5.704 5.525 780 HA ILE 8 HA ILE 8 11.256 -5.275 4.067 781 HB ILE 8 HB ILE 8 13.723 -6.787 3.517 782 1HG1 ILE 8 2HG1 ILE 8 13.119 -5.286 1.314 783 2HG1 ILE 8 1HG1 ILE 8 12.268 -4.412 2.583 784 1HG2 ILE 8 1HG2 ILE 8 13.116 -7.826 1.511 785 2HG2 ILE 8 2HG2 ILE 8 11.551 -7.014 1.458 786 3HG2 ILE 8 3HG2 ILE 8 11.843 -8.287 2.642 787 1HD1 ILE 8 1HD1 ILE 8 15.185 -4.861 2.217 788 2HD1 ILE 8 2HD1 ILE 8 14.543 -4.621 3.843 789 3HD1 ILE 8 3HD1 ILE 8 14.309 -3.381 2.610 790 H LYS 9 H LYS 9 9.591 -6.432 3.068 791 HA LYS 9 HA LYS 9 9.153 -9.196 3.866 792 1HB LYS 9 2HB LYS 9 7.130 -7.041 4.502 793 2HB LYS 9 1HB LYS 9 6.926 -8.767 4.771 794 1HG LYS 9 2HG LYS 9 9.326 -7.857 6.049 795 2HG LYS 9 1HG LYS 9 7.955 -6.865 6.547 796 1HD LYS 9 2HD LYS 9 6.734 -8.793 7.269 797 2HD LYS 9 1HD LYS 9 7.937 -9.879 6.571 798 1HE LYS 9 2HE LYS 9 9.495 -9.426 8.227 799 2HE LYS 9 1HE LYS 9 8.738 -7.893 8.658 800 1HZ LYS 9 1HZ LYS 9 6.782 -9.430 9.356 801 2HZ LYS 9 2HZ LYS 9 8.106 -9.232 10.390 802 3HZ LYS 9 3HZ LYS 9 7.979 -10.623 9.437 803 H ASN 10 H ASN 10 9.102 -6.847 1.591 804 HA ASN 10 HA ASN 10 7.935 -8.473 -0.390 805 1HB ASN 10 2HB ASN 10 5.939 -7.464 1.042 806 2HB ASN 10 1HB ASN 10 6.219 -6.065 0.008 807 1HD2 ASN 10 1HD2 ASN 10 7.185 -8.646 -1.730 808 2HD2 ASN 10 2HD2 ASN 10 5.727 -8.990 -2.591 809 H ALA 11 H ALA 11 9.982 -7.824 -1.257 810 HA ALA 11 HA ALA 11 9.928 -5.112 -2.412 811 1HB ALA 11 1HB ALA 11 12.074 -4.712 -1.845 812 2HB ALA 11 2HB ALA 11 12.558 -6.395 -2.054 813 3HB ALA 11 3HB ALA 11 11.729 -5.892 -0.580 814 H ASP 12 H ASP 12 9.566 -5.229 -4.513 815 HA ASP 12 HA ASP 12 10.724 -7.454 -6.043 816 1HB ASP 12 2HB ASP 12 8.280 -5.755 -6.561 817 2HB ASP 12 1HB ASP 12 8.982 -6.817 -7.777 818 H MET 13 H MET 13 12.255 -5.215 -5.281 819 HA MET 13 HA MET 13 12.719 -3.936 -7.895 820 1HB MET 13 2HB MET 13 11.878 -2.198 -6.553 821 2HB MET 13 1HB MET 13 12.743 -2.758 -5.130 822 1HG MET 13 2HG MET 13 14.724 -1.815 -5.790 823 2HG MET 13 1HG MET 13 14.293 -1.841 -7.499 824 1HE MET 13 1HE MET 13 12.548 1.153 -4.452 825 2HE MET 13 2HE MET 13 13.600 -0.201 -4.036 826 3HE MET 13 3HE MET 13 11.952 -0.501 -4.587 827 H SER 14 H SER 14 15.017 -2.985 -7.984 828 HA SER 14 HA SER 14 16.886 -5.009 -7.897 829 1HB SER 14 2HB SER 14 18.048 -2.346 -7.462 830 2HB SER 14 1HB SER 14 18.284 -3.475 -8.796 831 HG SER 14 HG SER 14 16.906 -1.275 -8.857 832 H GLU 15 H GLU 15 18.439 -5.694 -6.467 833 HA GLU 15 HA GLU 15 17.925 -5.679 -3.763 834 1HB GLU 15 2HB GLU 15 20.545 -6.060 -5.214 835 2HB GLU 15 1HB GLU 15 20.331 -6.375 -3.497 836 1HG GLU 15 2HG GLU 15 19.995 -8.468 -4.287 837 2HG GLU 15 1HG GLU 15 18.341 -7.867 -4.392 838 H GLU 16 H GLU 16 20.537 -3.827 -5.345 839 HA GLU 16 HA GLU 16 21.302 -2.334 -3.137 840 1HB GLU 16 2HB GLU 16 21.642 -2.147 -6.043 841 2HB GLU 16 1HB GLU 16 21.701 -0.591 -5.229 842 1HG GLU 16 2HG GLU 16 23.743 -0.981 -4.467 843 2HG GLU 16 1HG GLU 16 23.268 -2.549 -3.816 844 H MET 17 H MET 17 18.463 -2.119 -5.039 845 HA MET 17 HA MET 17 17.838 0.609 -4.317 846 1HB MET 17 2HB MET 17 16.521 -1.536 -5.918 847 2HB MET 17 1HB MET 17 15.517 -0.239 -5.283 848 1HG MET 17 2HG MET 17 17.852 0.884 -6.474 849 2HG MET 17 1HG MET 17 17.103 -0.242 -7.605 850 1HE MET 17 1HE MET 17 14.523 2.541 -5.289 851 2HE MET 17 2HE MET 17 15.935 3.508 -5.716 852 3HE MET 17 3HE MET 17 16.137 1.992 -4.838 853 H GLN 18 H GLN 18 17.003 -2.630 -3.243 854 HA GLN 18 HA GLN 18 14.895 -1.801 -1.509 855 1HB GLN 18 2HB GLN 18 15.790 -4.211 -0.500 856 2HB GLN 18 1HB GLN 18 14.529 -4.001 -1.707 857 1HG GLN 18 2HG GLN 18 16.927 -3.907 -3.127 858 2HG GLN 18 1HG GLN 18 17.125 -5.209 -1.954 859 1HE2 GLN 18 1HE2 GLN 18 14.057 -4.224 -3.307 860 2HE2 GLN 18 2HE2 GLN 18 13.778 -5.663 -4.222 861 H GLN 19 H GLN 19 18.348 -2.351 -1.134 862 HA GLN 19 HA GLN 19 18.305 -2.010 1.714 863 1HB GLN 19 2HB GLN 19 20.424 -2.334 -0.369 864 2HB GLN 19 1HB GLN 19 20.879 -1.691 1.204 865 1HG GLN 19 2HG GLN 19 21.260 -3.999 1.325 866 2HG GLN 19 1HG GLN 19 19.761 -3.720 2.210 867 1HE2 GLN 19 1HE2 GLN 19 20.836 -4.408 -1.104 868 2HE2 GLN 19 2HE2 GLN 19 19.598 -5.562 -1.448 869 H ASP 20 H ASP 20 19.060 -0.040 -1.105 870 HA ASP 20 HA ASP 20 19.916 2.239 0.346 871 1HB ASP 20 2HB ASP 20 19.174 1.646 -2.467 872 2HB ASP 20 1HB ASP 20 19.040 3.327 -1.965 873 H SER 21 H SER 21 16.829 1.021 -0.738 874 HA SER 21 HA SER 21 15.294 3.344 -0.257 875 1HB SER 21 2HB SER 21 13.797 2.034 -1.296 876 2HB SER 21 1HB SER 21 14.813 0.614 -1.045 877 HG SER 21 HG SER 21 12.769 1.646 0.601 878 H VAL 22 H VAL 22 16.012 0.482 1.708 879 HA VAL 22 HA VAL 22 14.497 1.129 3.953 880 HB VAL 22 HB VAL 22 17.130 -0.340 3.797 881 1HG1 VAL 22 1HG1 VAL 22 16.722 -1.152 6.008 882 2HG1 VAL 22 2HG1 VAL 22 15.157 -0.341 6.071 883 3HG1 VAL 22 3HG1 VAL 22 16.642 0.609 6.049 884 1HG2 VAL 22 1HG2 VAL 22 15.963 -2.093 3.087 885 2HG2 VAL 22 2HG2 VAL 22 14.550 -1.047 2.948 886 3HG2 VAL 22 3HG2 VAL 22 14.840 -1.944 4.439 887 H GLU 23 H GLU 23 17.786 2.060 3.053 888 HA GLU 23 HA GLU 23 18.457 3.411 5.421 889 1HB GLU 23 2HB GLU 23 19.411 4.211 2.673 890 2HB GLU 23 1HB GLU 23 20.261 4.374 4.204 891 1HG GLU 23 2HG GLU 23 20.710 2.076 4.325 892 2HG GLU 23 1HG GLU 23 19.528 1.696 3.072 893 H CYS 24 H CYS 24 16.775 4.471 2.499 894 HA CYS 24 HA CYS 24 16.653 7.220 3.198 895 1HB CYS 24 2HB CYS 24 16.163 6.026 0.918 896 2HB CYS 24 1HB CYS 24 14.526 5.886 1.550 897 HG CYS 24 HG CYS 24 15.909 8.533 0.749 898 H ALA 25 H ALA 25 14.700 4.428 3.972 899 HA ALA 25 HA ALA 25 12.525 5.895 5.124 900 1HB ALA 25 1HB ALA 25 11.559 3.884 5.063 901 2HB ALA 25 2HB ALA 25 12.732 3.268 6.228 902 3HB ALA 25 3HB ALA 25 13.079 3.186 4.502 903 H THR 26 H THR 26 15.551 4.573 6.116 904 HA THR 26 HA THR 26 15.188 4.853 8.929 905 HB THR 26 HB THR 26 17.673 4.604 7.227 906 HG1 THR 26 1HG THR 26 16.579 2.602 8.868 907 1HG2 THR 26 1HG2 THR 26 18.885 4.967 9.023 908 2HG2 THR 26 2HG2 THR 26 18.136 3.555 9.770 909 3HG2 THR 26 3HG2 THR 26 17.438 5.157 10.014 910 H GLN 27 H GLN 27 16.581 6.790 6.337 911 HA GLN 27 HA GLN 27 17.728 8.823 7.871 912 1HB GLN 27 2HB GLN 27 16.559 8.796 5.095 913 2HB GLN 27 1HB GLN 27 17.263 10.250 5.788 914 1HG GLN 27 2HG GLN 27 18.649 7.639 5.240 915 2HG GLN 27 1HG GLN 27 18.901 9.180 4.422 916 1HE2 GLN 27 1HE2 GLN 27 20.169 7.143 6.628 917 2HE2 GLN 27 2HE2 GLN 27 21.113 8.254 7.557 918 H ALA 28 H ALA 28 14.487 8.457 6.528 919 HA ALA 28 HA ALA 28 13.454 10.900 7.558 920 1HB ALA 28 1HB ALA 28 12.306 9.888 5.729 921 2HB ALA 28 2HB ALA 28 11.225 9.810 7.120 922 3HB ALA 28 3HB ALA 28 12.109 8.372 6.609 923 H LEU 29 H LEU 29 13.893 7.691 8.798 924 HA LEU 29 HA LEU 29 12.122 7.800 10.988 925 1HB LEU 29 2HB LEU 29 14.530 6.176 10.302 926 2HB LEU 29 1HB LEU 29 13.842 6.069 11.913 927 HG LEU 29 HG LEU 29 11.987 5.747 9.616 928 1HD1 LEU 29 1HD1 LEU 29 14.009 3.688 10.458 929 2HD1 LEU 29 2HD1 LEU 29 13.799 4.398 8.857 930 3HD1 LEU 29 3HD1 LEU 29 12.559 3.333 9.518 931 1HD2 LEU 29 1HD2 LEU 29 10.758 4.471 11.101 932 2HD2 LEU 29 2HD2 LEU 29 11.477 5.692 12.152 933 3HD2 LEU 29 3HD2 LEU 29 12.167 4.069 12.083 934 H GLU 30 H GLU 30 15.653 8.211 10.866 935 HA GLU 30 HA GLU 30 15.998 9.024 13.515 936 1HB GLU 30 2HB GLU 30 17.613 8.692 11.223 937 2HB GLU 30 1HB GLU 30 17.899 10.329 11.795 938 1HG GLU 30 2HG GLU 30 17.894 8.549 14.024 939 2HG GLU 30 1HG GLU 30 18.973 7.923 12.778 940 H LYS 31 H LYS 31 15.136 10.833 10.634 941 HA LYS 31 HA LYS 31 15.394 13.398 11.921 942 1HB LYS 31 2HB LYS 31 13.981 12.736 9.333 943 2HB LYS 31 1HB LYS 31 14.529 14.320 9.862 944 1HG LYS 31 2HG LYS 31 16.302 11.977 9.205 945 2HG LYS 31 1HG LYS 31 16.006 13.377 8.171 946 1HD LYS 31 2HD LYS 31 16.855 14.769 10.154 947 2HD LYS 31 1HD LYS 31 17.482 13.243 10.782 948 1HE LYS 31 2HE LYS 31 18.286 13.284 8.125 949 2HE LYS 31 1HE LYS 31 18.508 14.946 8.673 950 1HZ LYS 31 1HZ LYS 31 19.542 12.594 10.154 951 2HZ LYS 31 2HZ LYS 31 19.917 14.222 10.414 952 3HZ LYS 31 3HZ LYS 31 20.456 13.446 9.013 953 H TYR 32 H TYR 32 12.892 11.032 11.411 954 HA TYR 32 HA TYR 32 11.189 12.263 13.329 955 1HB TYR 32 2HB TYR 32 9.459 12.127 11.070 956 2HB TYR 32 1HB TYR 32 9.865 13.528 12.054 957 HD1 TYR 32 1HD TYR 32 11.155 15.278 11.166 958 HD2 TYR 32 2HD TYR 32 10.976 11.561 9.098 959 HE1 TYR 32 1HE TYR 32 12.306 16.297 9.247 960 HE2 TYR 32 2HE TYR 32 12.128 12.572 7.176 961 HH TYR 32 HH TYR 32 13.388 14.378 6.524 962 H ASN 33 H ASN 33 9.903 10.776 14.241 963 HA ASN 33 HA ASN 33 9.855 8.113 13.032 964 1HB ASN 33 2HB ASN 33 9.038 7.403 15.310 965 2HB ASN 33 1HB ASN 33 10.657 8.099 15.289 966 1HD2 ASN 33 1HD2 ASN 33 10.873 10.340 15.918 967 2HD2 ASN 33 2HD2 ASN 33 9.779 11.003 17.078 968 H ILE 34 H ILE 34 8.168 10.374 12.184 969 HA ILE 34 HA ILE 34 5.488 9.498 12.959 970 HB ILE 34 HB ILE 34 6.137 11.759 11.089 971 1HG1 ILE 34 2HG1 ILE 34 7.370 12.032 13.239 972 2HG1 ILE 34 1HG1 ILE 34 6.161 13.282 12.956 973 1HG2 ILE 34 1HG2 ILE 34 3.896 11.597 10.925 974 2HG2 ILE 34 2HG2 ILE 34 3.930 12.489 12.447 975 3HG2 ILE 34 3HG2 ILE 34 3.743 10.734 12.456 976 1HD1 ILE 34 1HD1 ILE 34 6.417 11.458 15.142 977 2HD1 ILE 34 2HD1 ILE 34 4.847 11.261 14.363 978 3HD1 ILE 34 3HD1 ILE 34 5.343 12.846 14.956 979 H GLU 35 H GLU 35 4.727 7.825 11.833 980 HA GLU 35 HA GLU 35 5.498 6.571 9.645 981 1HB GLU 35 2HB GLU 35 2.620 7.346 10.157 982 2HB GLU 35 1HB GLU 35 3.142 6.055 9.085 983 1HG GLU 35 2HG GLU 35 3.195 4.638 10.775 984 2HG GLU 35 1HG GLU 35 4.352 5.660 11.626 985 H LYS 36 H LYS 36 2.994 9.081 9.156 986 HA LYS 36 HA LYS 36 3.278 9.310 6.424 987 1HB LYS 36 2HB LYS 36 2.723 11.910 7.237 988 2HB LYS 36 1HB LYS 36 1.547 10.656 6.870 989 1HG LYS 36 2HG LYS 36 1.936 9.977 9.363 990 2HG LYS 36 1HG LYS 36 2.510 11.639 9.509 991 1HD LYS 36 2HD LYS 36 0.405 12.338 9.641 992 2HD LYS 36 1HD LYS 36 0.105 11.702 8.022 993 1HE LYS 36 2HE LYS 36 -1.173 10.084 8.845 994 2HE LYS 36 1HE LYS 36 0.128 9.550 9.908 995 1HZ LYS 36 1HZ LYS 36 -2.053 10.294 10.965 996 2HZ LYS 36 2HZ LYS 36 -1.559 11.871 10.606 997 3HZ LYS 36 3HZ LYS 36 -0.619 10.905 11.625 998 H ASP 37 H ASP 37 4.815 11.406 8.870 999 HA ASP 37 HA ASP 37 6.337 13.017 7.296 1000 1HB ASP 37 2HB ASP 37 6.248 12.441 9.992 1001 2HB ASP 37 1HB ASP 37 7.886 11.967 9.552 1002 H ILE 38 H ILE 38 7.618 9.990 8.698 1003 HA ILE 38 HA ILE 38 9.976 9.809 7.340 1004 HB ILE 38 HB ILE 38 8.150 7.456 7.854 1005 1HG1 ILE 38 2HG1 ILE 38 10.310 8.167 9.759 1006 2HG1 ILE 38 1HG1 ILE 38 8.894 9.215 9.757 1007 1HG2 ILE 38 1HG2 ILE 38 10.833 7.709 6.821 1008 2HG2 ILE 38 2HG2 ILE 38 9.800 6.283 6.932 1009 3HG2 ILE 38 3HG2 ILE 38 10.806 6.752 8.302 1010 1HD1 ILE 38 1HD1 ILE 38 9.039 6.282 10.356 1011 2HD1 ILE 38 2HD1 ILE 38 7.518 7.104 10.009 1012 3HD1 ILE 38 3HD1 ILE 38 8.489 7.594 11.398 1013 H ALA 39 H ALA 39 6.857 8.483 6.230 1014 HA ALA 39 HA ALA 39 7.650 7.462 3.791 1015 1HB ALA 39 1HB ALA 39 5.378 7.533 3.128 1016 2HB ALA 39 2HB ALA 39 5.029 8.882 4.209 1017 3HB ALA 39 3HB ALA 39 5.375 7.286 4.874 1018 H ALA 40 H ALA 40 6.839 10.784 4.653 1019 HA ALA 40 HA ALA 40 6.925 11.850 2.032 1020 1HB ALA 40 1HB ALA 40 6.360 12.811 4.602 1021 2HB ALA 40 2HB ALA 40 6.216 13.681 3.076 1022 3HB ALA 40 3HB ALA 40 7.708 13.783 4.010 1023 H HIS 41 H HIS 41 9.264 12.253 4.684 1024 HA HIS 41 HA HIS 41 11.337 13.421 3.382 1025 1HB HIS 41 2HB HIS 41 11.673 13.106 5.665 1026 2HB HIS 41 1HB HIS 41 11.238 11.404 5.599 1027 HD1 HIS 41 1HD HIS 41 14.026 13.282 6.358 1028 HD2 HIS 41 2HD HIS 41 13.434 10.106 3.745 1029 HE1 HIS 41 1HE HIS 41 16.304 12.282 5.988 1030 HE2 HIS 41 2HE HIS 41 15.923 10.366 4.399 1031 H ILE 42 H ILE 42 10.668 9.935 3.494 1032 HA ILE 42 HA ILE 42 12.872 9.104 1.972 1033 HB ILE 42 HB ILE 42 10.167 7.770 2.111 1034 1HG1 ILE 42 2HG1 ILE 42 12.547 7.127 3.841 1035 2HG1 ILE 42 1HG1 ILE 42 11.365 8.340 4.324 1036 1HG2 ILE 42 1HG2 ILE 42 11.801 5.729 1.880 1037 2HG2 ILE 42 2HG2 ILE 42 12.851 6.932 1.133 1038 3HG2 ILE 42 3HG2 ILE 42 11.254 6.616 0.457 1039 1HD1 ILE 42 1HD1 ILE 42 10.571 6.473 5.381 1040 2HD1 ILE 42 2HD1 ILE 42 11.064 5.390 4.079 1041 3HD1 ILE 42 3HD1 ILE 42 9.652 6.427 3.877 1042 H LYS 43 H LYS 43 9.497 9.068 0.828 1043 HA LYS 43 HA LYS 43 9.814 8.697 -1.800 1044 1HB LYS 43 2HB LYS 43 7.658 9.194 -0.561 1045 2HB LYS 43 1HB LYS 43 8.017 10.900 -0.791 1046 1HG LYS 43 2HG LYS 43 8.282 9.776 -3.321 1047 2HG LYS 43 1HG LYS 43 6.860 8.999 -2.623 1048 1HD LYS 43 2HD LYS 43 5.747 11.036 -2.330 1049 2HD LYS 43 1HD LYS 43 7.235 11.971 -2.482 1050 1HE LYS 43 2HE LYS 43 7.044 10.590 -4.881 1051 2HE LYS 43 1HE LYS 43 5.387 11.078 -4.529 1052 1HZ LYS 43 1HZ LYS 43 6.121 12.929 -5.587 1053 2HZ LYS 43 2HZ LYS 43 7.730 12.730 -5.102 1054 3HZ LYS 43 3HZ LYS 43 6.589 13.346 -4.016 1055 H LYS 44 H LYS 44 9.855 11.976 -0.399 1056 HA LYS 44 HA LYS 44 10.556 13.388 -2.652 1057 1HB LYS 44 2HB LYS 44 10.073 14.079 -0.116 1058 2HB LYS 44 1HB LYS 44 11.824 14.225 -0.102 1059 1HG LYS 44 2HG LYS 44 11.425 15.623 -2.277 1060 2HG LYS 44 1HG LYS 44 9.801 15.804 -1.610 1061 1HD LYS 44 2HD LYS 44 11.597 16.259 0.511 1062 2HD LYS 44 1HD LYS 44 12.222 17.153 -0.877 1063 1HE LYS 44 2HE LYS 44 9.478 17.356 0.351 1064 2HE LYS 44 1HE LYS 44 10.739 18.589 0.335 1065 1HZ LYS 44 1HZ LYS 44 10.515 18.780 -2.040 1066 2HZ LYS 44 2HZ LYS 44 8.997 18.987 -1.325 1067 3HZ LYS 44 3HZ LYS 44 9.381 17.524 -2.083 1068 H GLU 45 H GLU 45 12.708 11.747 -0.367 1069 HA GLU 45 HA GLU 45 15.106 12.654 -1.598 1070 1HB GLU 45 2HB GLU 45 14.396 11.135 0.690 1071 2HB GLU 45 1HB GLU 45 15.529 10.170 -0.248 1072 1HG GLU 45 2HG GLU 45 16.664 12.678 -0.270 1073 2HG GLU 45 1HG GLU 45 15.980 12.551 1.350 1074 H PHE 46 H PHE 46 13.201 9.685 -1.890 1075 HA PHE 46 HA PHE 46 14.978 8.296 -3.568 1076 1HB PHE 46 2HB PHE 46 12.309 7.939 -2.547 1077 2HB PHE 46 1HB PHE 46 12.367 7.498 -4.250 1078 HD1 PHE 46 1HD PHE 46 12.861 5.317 -4.738 1079 HD2 PHE 46 2HD PHE 46 14.409 7.031 -1.167 1080 HE1 PHE 46 1HE PHE 46 13.864 3.151 -4.141 1081 HE2 PHE 46 2HE PHE 46 15.415 4.871 -0.560 1082 HZ PHE 46 HZ PHE 46 15.144 2.926 -2.046 1083 H ASP 47 H ASP 47 12.435 10.625 -4.226 1084 HA ASP 47 HA ASP 47 12.372 10.246 -7.035 1085 1HB ASP 47 2HB ASP 47 10.783 11.878 -7.047 1086 2HB ASP 47 1HB ASP 47 10.767 11.550 -5.318 1087 H LYS 48 H LYS 48 14.027 12.589 -4.945 1088 HA LYS 48 HA LYS 48 15.342 13.858 -7.160 1089 1HB LYS 48 2HB LYS 48 15.116 14.267 -4.276 1090 2HB LYS 48 1HB LYS 48 16.727 14.612 -4.893 1091 1HG LYS 48 2HG LYS 48 14.779 15.769 -6.633 1092 2HG LYS 48 1HG LYS 48 14.451 16.254 -4.968 1093 1HD LYS 48 2HD LYS 48 15.941 17.868 -5.892 1094 2HD LYS 48 1HD LYS 48 16.875 16.875 -4.771 1095 1HE LYS 48 2HE LYS 48 17.828 17.445 -7.136 1096 2HE LYS 48 1HE LYS 48 18.044 15.834 -6.455 1097 1HZ LYS 48 1HZ LYS 48 16.253 15.013 -7.771 1098 2HZ LYS 48 2HZ LYS 48 17.298 15.855 -8.802 1099 3HZ LYS 48 3HZ LYS 48 15.844 16.566 -8.308 1100 H LYS 49 H LYS 49 16.031 11.219 -5.029 1101 HA LYS 49 HA LYS 49 18.858 11.200 -5.704 1102 1HB LYS 49 2HB LYS 49 17.408 10.336 -3.500 1103 2HB LYS 49 1HB LYS 49 17.868 8.844 -4.310 1104 1HG LYS 49 2HG LYS 49 20.232 9.769 -4.344 1105 2HG LYS 49 1HG LYS 49 19.650 10.994 -3.214 1106 1HD LYS 49 2HD LYS 49 20.085 9.538 -1.583 1107 2HD LYS 49 1HD LYS 49 18.711 8.600 -2.172 1108 1HE LYS 49 2HE LYS 49 20.242 7.394 -3.696 1109 2HE LYS 49 1HE LYS 49 21.595 8.285 -3.001 1110 1HZ LYS 49 1HZ LYS 49 19.912 6.209 -1.758 1111 2HZ LYS 49 2HZ LYS 49 20.728 7.332 -0.791 1112 3HZ LYS 49 3HZ LYS 49 21.600 6.316 -1.824 1113 H TYR 50 H TYR 50 15.946 9.887 -6.886 1114 HA TYR 50 HA TYR 50 17.479 8.012 -8.557 1115 1HB TYR 50 2HB TYR 50 14.712 7.607 -7.408 1116 2HB TYR 50 1HB TYR 50 15.465 6.549 -8.597 1117 HD1 TYR 50 1HD TYR 50 17.993 5.846 -7.820 1118 HD2 TYR 50 2HD TYR 50 14.757 6.832 -5.241 1119 HE1 TYR 50 1HE TYR 50 19.052 4.561 -6.012 1120 HE2 TYR 50 2HE TYR 50 15.808 5.551 -3.427 1121 HH TYR 50 HH TYR 50 17.432 4.090 -2.905 1122 H ASN 51 H ASN 51 14.106 9.184 -8.543 1123 HA ASN 51 HA ASN 51 14.057 11.025 -10.493 1124 1HB ASN 51 2HB ASN 51 15.320 9.343 -11.893 1125 2HB ASN 51 1HB ASN 51 13.873 8.339 -11.874 1126 1HD2 ASN 51 1HD2 ASN 51 12.832 8.478 -13.719 1127 2HD2 ASN 51 2HD2 ASN 51 12.602 9.910 -14.658 1128 HA PRO 52 HA PRO 52 9.958 10.572 -8.664 1129 1HB PRO 52 2HB PRO 52 9.534 12.315 -11.063 1130 2HB PRO 52 1HB PRO 52 8.853 12.462 -9.439 1131 1HG PRO 52 2HG PRO 52 10.949 13.945 -10.236 1132 2HG PRO 52 1HG PRO 52 10.777 13.378 -8.567 1133 1HD PRO 52 2HD PRO 52 12.694 12.545 -10.628 1134 2HD PRO 52 1HD PRO 52 12.750 12.300 -8.873 1135 H THR 53 H THR 53 7.822 8.664 -10.763 1136 HA THR 53 HA THR 53 8.350 10.367 -8.425 1137 HB THR 53 HB THR 53 5.531 9.757 -9.011 1138 HG1 THR 53 1HG THR 53 5.934 10.183 -11.083 1139 1HG2 THR 53 1HG2 THR 53 5.560 11.358 -7.434 1140 2HG2 THR 53 2HG2 THR 53 5.649 12.420 -8.839 1141 3HG2 THR 53 3HG2 THR 53 7.117 12.000 -7.956 1142 H TRP 54 H TRP 54 8.590 9.257 -6.624 1143 HA TRP 54 HA TRP 54 7.743 6.484 -6.520 1144 1HB TRP 54 2HB TRP 54 9.273 8.105 -4.477 1145 2HB TRP 54 1HB TRP 54 9.049 6.359 -4.464 1146 HD1 TRP 54 HD TRP 54 10.670 9.041 -6.757 1147 HE1 TRP 54 1HE TRP 54 12.744 7.987 -7.856 1148 HE3 TRP 54 3HE TRP 54 10.254 4.292 -4.900 1149 HZ2 TRP 54 2HZ TRP 54 14.034 5.477 -7.928 1150 HZ3 TRP 54 3HZ TRP 54 11.949 2.626 -5.534 1151 HH2 TRP 54 HH TRP 54 13.799 3.207 -7.018 1152 H HIS 55 H HIS 55 6.583 5.604 -4.767 1153 HA HIS 55 HA HIS 55 4.915 7.457 -3.226 1154 1HB HIS 55 2HB HIS 55 3.792 5.004 -4.590 1155 2HB HIS 55 1HB HIS 55 2.900 6.266 -3.747 1156 HD1 HIS 55 1HD HIS 55 1.656 7.630 -5.386 1157 HD2 HIS 55 2HD HIS 55 5.366 6.466 -6.851 1158 HE1 HIS 55 1HE HIS 55 1.831 8.663 -7.672 1159 HE2 HIS 55 2HE HIS 55 4.116 8.009 -8.507 1160 H CYS 56 H CYS 56 5.849 7.007 -1.295 1161 HA CYS 56 HA CYS 56 6.106 4.183 -0.536 1162 1HB CYS 56 2HB CYS 56 7.355 6.403 1.026 1163 2HB CYS 56 1HB CYS 56 7.893 4.739 0.827 1164 HG CYS 56 HG CYS 56 8.797 7.052 -0.829 1165 H ILE 57 H ILE 57 5.513 3.454 1.495 1166 HA ILE 57 HA ILE 57 3.753 5.171 3.096 1167 HB ILE 57 HB ILE 57 3.064 2.307 2.435 1168 1HG1 ILE 57 2HG1 ILE 57 2.769 3.485 0.388 1169 2HG1 ILE 57 1HG1 ILE 57 1.169 3.352 1.109 1170 1HG2 ILE 57 1HG2 ILE 57 1.212 2.543 3.749 1171 2HG2 ILE 57 2HG2 ILE 57 1.114 4.285 3.495 1172 3HG2 ILE 57 3HG2 ILE 57 2.317 3.620 4.600 1173 1HD1 ILE 57 1HD1 ILE 57 2.421 5.782 1.961 1174 2HD1 ILE 57 2HD1 ILE 57 0.923 5.547 1.060 1175 3HD1 ILE 57 3HD1 ILE 57 2.460 5.660 0.202 1176 H VAL 58 H VAL 58 4.852 5.298 4.959 1177 HA VAL 58 HA VAL 58 6.101 2.847 6.001 1178 HB VAL 58 HB VAL 58 7.796 4.454 5.705 1179 1HG1 VAL 58 1HG1 VAL 58 5.702 6.336 6.522 1180 2HG1 VAL 58 2HG1 VAL 58 7.034 6.536 5.384 1181 3HG1 VAL 58 3HG1 VAL 58 7.320 6.713 7.115 1182 1HG2 VAL 58 1HG2 VAL 58 8.724 4.174 7.713 1183 2HG2 VAL 58 2HG2 VAL 58 7.188 3.470 8.213 1184 3HG2 VAL 58 3HG2 VAL 58 7.508 5.180 8.501 1185 H GLY 59 H GLY 59 5.299 1.946 7.756 1186 1HA GLY 59 2HA GLY 59 3.934 3.589 9.754 1187 2HA GLY 59 1HA GLY 59 3.013 2.289 9.009 1188 H ARG 60 H ARG 60 3.400 0.183 9.607 1189 HA ARG 60 HA ARG 60 5.567 -0.904 10.849 1190 1HB ARG 60 2HB ARG 60 5.047 -0.822 13.212 1191 2HB ARG 60 1HB ARG 60 5.221 0.807 12.573 1192 1HG ARG 60 2HG ARG 60 2.817 1.070 12.511 1193 2HG ARG 60 1HG ARG 60 2.602 -0.588 13.074 1194 1HD ARG 60 2HD ARG 60 4.189 0.315 15.022 1195 2HD ARG 60 1HD ARG 60 3.432 1.838 14.559 1196 HE ARG 60 HE ARG 60 1.472 1.104 15.490 1197 1HH1 ARG 60 1HH1 ARG 60 3.626 -1.599 15.074 1198 2HH1 ARG 60 2HH1 ARG 60 2.612 -2.706 15.939 1199 1HH2 ARG 60 1HH2 ARG 60 0.127 -0.343 16.629 1200 2HH2 ARG 60 2HH2 ARG 60 0.622 -1.992 16.822 1201 H ASN 61 H ASN 61 2.102 -0.743 10.559 1202 HA ASN 61 HA ASN 61 1.951 -3.588 10.183 1203 1HB ASN 61 2HB ASN 61 1.863 -3.279 12.694 1204 2HB ASN 61 1HB ASN 61 0.339 -2.429 12.460 1205 1HD2 ASN 61 1HD2 ASN 61 1.567 -5.273 13.335 1206 2HD2 ASN 61 2HD2 ASN 61 0.304 -6.336 12.825 1207 H PHE 62 H PHE 62 1.412 -1.461 8.470 1208 HA PHE 62 HA PHE 62 -1.503 -1.228 8.386 1209 1HB PHE 62 2HB PHE 62 -1.195 0.521 6.787 1210 2HB PHE 62 1HB PHE 62 -0.039 0.794 8.084 1211 HD1 PHE 62 1HD PHE 62 -0.492 0.144 4.571 1212 HD2 PHE 62 2HD PHE 62 2.357 0.224 7.730 1213 HE1 PHE 62 1HE PHE 62 1.328 0.208 2.919 1214 HE2 PHE 62 2HE PHE 62 4.184 0.287 6.085 1215 HZ PHE 62 HZ PHE 62 3.672 0.280 3.676 1216 H GLY 63 H GLY 63 -1.866 -0.916 5.655 1217 1HA GLY 63 2HA GLY 63 -0.957 -3.443 4.466 1218 2HA GLY 63 1HA GLY 63 -2.684 -3.138 4.581 1219 H SER 64 H SER 64 0.029 -2.816 2.655 1220 HA SER 64 HA SER 64 -1.106 -0.569 1.161 1221 1HB SER 64 2HB SER 64 1.052 -0.469 -0.007 1222 2HB SER 64 1HB SER 64 1.265 -0.377 1.742 1223 HG SER 64 HG SER 64 1.732 -2.658 1.669 1224 H TYR 65 H TYR 65 -2.105 -0.817 -0.695 1225 HA TYR 65 HA TYR 65 -1.689 -3.259 -2.265 1226 1HB TYR 65 2HB TYR 65 -3.758 -3.463 -0.833 1227 2HB TYR 65 1HB TYR 65 -4.426 -2.094 -1.714 1228 HD1 TYR 65 1HD TYR 65 -5.243 -2.347 -3.965 1229 HD2 TYR 65 2HD TYR 65 -3.439 -5.627 -1.944 1230 HE1 TYR 65 1HE TYR 65 -6.108 -3.875 -5.687 1231 HE2 TYR 65 2HE TYR 65 -4.295 -7.164 -3.660 1232 HH TYR 65 HH TYR 65 -6.007 -5.967 -6.511 1233 H VAL 66 H VAL 66 -0.346 -1.461 -3.281 1234 HA VAL 66 HA VAL 66 -1.966 0.278 -5.004 1235 HB VAL 66 HB VAL 66 0.251 1.381 -5.514 1236 1HG1 VAL 66 1HG1 VAL 66 -0.831 1.369 -2.704 1237 2HG1 VAL 66 2HG1 VAL 66 -1.255 2.461 -4.022 1238 3HG1 VAL 66 3HG1 VAL 66 0.348 2.541 -3.293 1239 1HG2 VAL 66 1HG2 VAL 66 1.933 -0.083 -4.958 1240 2HG2 VAL 66 2HG2 VAL 66 1.120 -0.630 -3.491 1241 3HG2 VAL 66 3HG2 VAL 66 1.908 0.948 -3.527 1242 H THR 67 H THR 67 -0.973 0.667 -7.222 1243 HA THR 67 HA THR 67 -0.139 -1.913 -8.384 1244 HB THR 67 HB THR 67 -1.797 0.267 -9.671 1245 HG1 THR 67 1HG THR 67 -2.500 -1.718 -8.044 1246 1HG2 THR 67 1HG2 THR 67 -0.440 -2.027 -10.790 1247 2HG2 THR 67 2HG2 THR 67 -1.240 -0.677 -11.595 1248 3HG2 THR 67 3HG2 THR 67 -2.180 -2.075 -11.071 1249 H HIS 68 H HIS 68 2.085 -1.249 -8.034 1250 HA HIS 68 HA HIS 68 3.229 1.092 -9.021 1251 1HB HIS 68 2HB HIS 68 4.294 -0.673 -7.510 1252 2HB HIS 68 1HB HIS 68 4.654 -1.565 -8.985 1253 HD1 HIS 68 1HD HIS 68 6.206 -0.205 -10.760 1254 HD2 HIS 68 2HD HIS 68 6.146 1.212 -6.856 1255 HE1 HIS 68 1HE HIS 68 8.230 1.270 -10.551 1256 HE2 HIS 68 2HE HIS 68 8.212 2.061 -8.158 1257 H GLU 69 H GLU 69 5.195 -0.885 -10.593 1258 HA GLU 69 HA GLU 69 4.193 -1.768 -12.935 1259 1HB GLU 69 2HB GLU 69 4.446 0.220 -14.479 1260 2HB GLU 69 1HB GLU 69 3.047 0.260 -13.413 1261 1HG GLU 69 2HG GLU 69 4.052 1.865 -11.997 1262 2HG GLU 69 1HG GLU 69 5.627 1.656 -12.763 1263 H THR 70 H THR 70 6.608 0.606 -11.855 1264 HA THR 70 HA THR 70 8.603 -0.511 -13.638 1265 HB THR 70 HB THR 70 9.068 1.616 -11.556 1266 HG1 THR 70 1HG THR 70 8.055 1.962 -14.183 1267 1HG2 THR 70 1HG2 THR 70 10.942 0.551 -13.001 1268 2HG2 THR 70 2HG2 THR 70 10.870 2.302 -12.800 1269 3HG2 THR 70 3HG2 THR 70 10.267 1.557 -14.283 1270 H LYS 71 H LYS 71 10.014 0.604 -10.801 1271 HA LYS 71 HA LYS 71 11.400 -1.741 -10.258 1272 1HB LYS 71 2HB LYS 71 10.829 0.270 -8.108 1273 2HB LYS 71 1HB LYS 71 12.298 -0.651 -8.395 1274 1HG LYS 71 2HG LYS 71 11.665 1.058 -10.637 1275 2HG LYS 71 1HG LYS 71 11.803 1.971 -9.134 1276 1HD LYS 71 2HD LYS 71 14.014 1.886 -9.362 1277 2HD LYS 71 1HD LYS 71 13.924 0.142 -9.106 1278 1HE LYS 71 2HE LYS 71 15.117 0.552 -11.146 1279 2HE LYS 71 1HE LYS 71 13.544 -0.137 -11.546 1280 1HZ LYS 71 1HZ LYS 71 14.071 1.704 -12.999 1281 2HZ LYS 71 2HZ LYS 71 14.269 2.740 -11.677 1282 3HZ LYS 71 3HZ LYS 71 12.743 2.101 -12.029 1283 H HIS 72 H HIS 72 8.196 -1.481 -9.964 1284 HA HIS 72 HA HIS 72 6.642 -2.831 -8.970 1285 1HB HIS 72 2HB HIS 72 9.132 -4.240 -8.532 1286 2HB HIS 72 1HB HIS 72 8.047 -4.449 -7.161 1287 HD1 HIS 72 1HD HIS 72 8.906 -6.563 -9.500 1288 HD2 HIS 72 2HD HIS 72 5.249 -4.661 -8.970 1289 HE1 HIS 72 1HE HIS 72 7.217 -8.018 -10.664 1290 HE2 HIS 72 2HE HIS 72 5.015 -6.832 -10.356 1291 H PHE 73 H PHE 73 9.089 -2.734 -6.415 1292 HA PHE 73 HA PHE 73 8.521 -0.653 -4.875 1293 1HB PHE 73 2HB PHE 73 6.665 -1.091 -3.429 1294 2HB PHE 73 1HB PHE 73 6.088 -1.294 -5.079 1295 HD1 PHE 73 1HD PHE 73 5.979 -2.640 -1.898 1296 HD2 PHE 73 2HD PHE 73 6.383 -3.818 -5.967 1297 HE1 PHE 73 1HE PHE 73 5.159 -4.888 -1.324 1298 HE2 PHE 73 2HE PHE 73 5.565 -6.069 -5.401 1299 HZ PHE 73 HZ PHE 73 4.952 -6.605 -3.077 1300 H ILE 74 H ILE 74 8.718 -1.124 -2.406 1301 HA ILE 74 HA ILE 74 10.037 -3.660 -1.860 1302 HB ILE 74 HB ILE 74 11.853 -2.184 -2.646 1303 1HG1 ILE 74 2HG1 ILE 74 11.664 -3.449 0.010 1304 2HG1 ILE 74 1HG1 ILE 74 12.826 -3.714 -1.277 1305 1HG2 ILE 74 1HG2 ILE 74 11.090 -0.481 -0.274 1306 2HG2 ILE 74 2HG2 ILE 74 10.902 -0.048 -1.973 1307 3HG2 ILE 74 3HG2 ILE 74 12.515 -0.251 -1.288 1308 1HD1 ILE 74 1HD1 ILE 74 14.056 -1.723 -0.554 1309 2HD1 ILE 74 2HD1 ILE 74 13.918 -2.928 0.727 1310 3HD1 ILE 74 3HD1 ILE 74 12.895 -1.492 0.752 1311 H TYR 75 H TYR 75 9.233 -4.389 -0.033 1312 HA TYR 75 HA TYR 75 8.235 -2.473 1.955 1313 1HB TYR 75 2HB TYR 75 6.893 -4.527 0.870 1314 2HB TYR 75 1HB TYR 75 7.654 -5.378 2.211 1315 HD1 TYR 75 1HD TYR 75 7.393 -4.230 4.559 1316 HD2 TYR 75 2HD TYR 75 4.873 -3.451 1.219 1317 HE1 TYR 75 1HE TYR 75 5.645 -3.401 6.078 1318 HE2 TYR 75 2HE TYR 75 3.121 -2.620 2.727 1319 HH TYR 75 HH TYR 75 2.540 -2.204 4.825 1320 H PHE 76 H PHE 76 9.045 -2.413 3.982 1321 HA PHE 76 HA PHE 76 10.682 -4.527 5.039 1322 1HB PHE 76 2HB PHE 76 12.614 -2.825 5.425 1323 2HB PHE 76 1HB PHE 76 12.482 -3.637 3.869 1324 HD1 PHE 76 1HD PHE 76 12.876 -0.543 5.467 1325 HD2 PHE 76 2HD PHE 76 11.067 -2.354 2.067 1326 HE1 PHE 76 1HE PHE 76 12.821 1.641 4.338 1327 HE2 PHE 76 2HE PHE 76 11.009 -0.171 0.933 1328 HZ PHE 76 HZ PHE 76 11.886 1.829 2.068 1329 H TYR 77 H TYR 77 10.453 -4.593 7.175 1330 HA TYR 77 HA TYR 77 9.179 -2.315 8.493 1331 1HB TYR 77 2HB TYR 77 7.929 -4.210 8.972 1332 2HB TYR 77 1HB TYR 77 9.346 -5.249 9.070 1333 HD1 TYR 77 1HD TYR 77 7.085 -3.082 10.897 1334 HD2 TYR 77 2HD TYR 77 10.765 -5.208 11.112 1335 HE1 TYR 77 1HE TYR 77 7.045 -2.895 13.349 1336 HE2 TYR 77 2HE TYR 77 10.733 -5.027 13.564 1337 HH TYR 77 HH TYR 77 8.360 -4.575 15.344 1338 H LEU 78 H LEU 78 10.464 -0.915 9.458 1339 HA LEU 78 HA LEU 78 13.162 -1.452 10.173 1340 1HB LEU 78 2HB LEU 78 11.267 0.831 10.580 1341 2HB LEU 78 1HB LEU 78 12.790 0.810 11.444 1342 HG LEU 78 HG LEU 78 12.593 2.098 9.195 1343 1HD1 LEU 78 1HD1 LEU 78 14.913 0.235 9.638 1344 2HD1 LEU 78 2HD1 LEU 78 14.644 1.738 10.522 1345 3HD1 LEU 78 3HD1 LEU 78 14.930 1.776 8.782 1346 1HD2 LEU 78 1HD2 LEU 78 12.389 0.975 7.284 1347 2HD2 LEU 78 2HD2 LEU 78 11.942 -0.427 8.256 1348 3HD2 LEU 78 3HD2 LEU 78 13.619 -0.197 7.758 1349 H GLY 79 H GLY 79 13.944 -0.885 12.463 1350 1HA GLY 79 2HA GLY 79 13.585 -2.730 14.290 1351 2HA GLY 79 1HA GLY 79 13.714 -1.054 14.800 1352 H GLN 80 H GLN 80 11.226 -0.119 13.878 1353 HA GLN 80 HA GLN 80 9.166 -1.801 15.019 1354 1HB GLN 80 2HB GLN 80 9.744 0.891 16.265 1355 2HB GLN 80 1HB GLN 80 8.481 -0.237 16.737 1356 1HG GLN 80 2HG GLN 80 10.304 -1.871 17.306 1357 2HG GLN 80 1HG GLN 80 11.449 -0.552 17.070 1358 1HE2 GLN 80 1HE2 GLN 80 12.063 0.318 18.901 1359 2HE2 GLN 80 2HE2 GLN 80 11.087 0.545 20.308 1360 H VAL 81 H VAL 81 9.662 -0.692 12.433 1361 HA VAL 81 HA VAL 81 7.133 0.685 12.052 1362 HB VAL 81 HB VAL 81 9.725 1.896 11.081 1363 1HG1 VAL 81 1HG1 VAL 81 7.628 2.053 9.608 1364 2HG1 VAL 81 2HG1 VAL 81 8.480 3.548 9.996 1365 3HG1 VAL 81 3HG1 VAL 81 6.999 3.127 10.857 1366 1HG2 VAL 81 1HG2 VAL 81 9.125 2.151 13.546 1367 2HG2 VAL 81 2HG2 VAL 81 7.769 3.136 12.995 1368 3HG2 VAL 81 3HG2 VAL 81 9.422 3.632 12.635 1369 H ALA 82 H ALA 82 6.768 1.050 9.619 1370 HA ALA 82 HA ALA 82 8.021 -1.113 8.065 1371 1HB ALA 82 1HB ALA 82 5.088 -0.410 8.090 1372 2HB ALA 82 2HB ALA 82 5.815 -1.860 8.781 1373 3HB ALA 82 3HB ALA 82 5.851 -1.600 7.037 1374 H ILE 83 H ILE 83 8.060 -0.766 5.766 1375 HA ILE 83 HA ILE 83 7.408 1.942 4.872 1376 HB ILE 83 HB ILE 83 10.010 1.023 3.875 1377 1HG1 ILE 83 2HG1 ILE 83 10.071 0.330 6.298 1378 2HG1 ILE 83 1HG1 ILE 83 11.289 1.514 5.839 1379 1HG2 ILE 83 1HG2 ILE 83 8.898 3.217 3.419 1380 2HG2 ILE 83 2HG2 ILE 83 10.551 3.337 4.023 1381 3HG2 ILE 83 3HG2 ILE 83 9.192 3.645 5.104 1382 1HD1 ILE 83 1HD1 ILE 83 9.583 1.678 7.987 1383 2HD1 ILE 83 2HD1 ILE 83 8.851 2.755 6.797 1384 3HD1 ILE 83 3HD1 ILE 83 10.524 3.001 7.298 1385 H LEU 84 H LEU 84 6.459 1.929 2.962 1386 HA LEU 84 HA LEU 84 6.880 -0.389 1.189 1387 1HB LEU 84 2HB LEU 84 4.666 -0.633 1.792 1388 2HB LEU 84 1HB LEU 84 4.409 1.093 1.961 1389 HG LEU 84 HG LEU 84 4.907 0.802 -0.741 1390 1HD1 LEU 84 1HD1 LEU 84 4.124 -1.130 -1.551 1391 2HD1 LEU 84 2HD1 LEU 84 2.819 -1.213 -0.369 1392 3HD1 LEU 84 3HD1 LEU 84 4.441 -1.750 0.068 1393 1HD2 LEU 84 1HD2 LEU 84 2.379 1.010 0.866 1394 2HD2 LEU 84 2HD2 LEU 84 2.378 1.058 -0.897 1395 3HD2 LEU 84 3HD2 LEU 84 3.254 2.285 0.019 1396 H LEU 85 H LEU 85 8.438 0.484 -0.121 1397 HA LEU 85 HA LEU 85 7.991 3.110 -1.309 1398 1HB LEU 85 2HB LEU 85 10.284 1.481 -0.694 1399 2HB LEU 85 1HB LEU 85 10.318 1.957 -2.381 1400 HG LEU 85 HG LEU 85 10.086 4.331 -1.675 1401 1HD1 LEU 85 1HD1 LEU 85 10.416 3.172 1.088 1402 2HD1 LEU 85 2HD1 LEU 85 8.994 4.008 0.461 1403 3HD1 LEU 85 3HD1 LEU 85 10.508 4.886 0.683 1404 1HD2 LEU 85 1HD2 LEU 85 12.378 4.571 -0.878 1405 2HD2 LEU 85 2HD2 LEU 85 12.277 3.366 -2.162 1406 3HD2 LEU 85 3HD2 LEU 85 12.428 2.853 -0.481 1407 H PHE 86 H PHE 86 7.095 3.372 -3.237 1408 HA PHE 86 HA PHE 86 7.601 1.603 -5.424 1409 1HB PHE 86 2HB PHE 86 5.733 0.343 -5.489 1410 2HB PHE 86 1HB PHE 86 5.539 0.784 -3.800 1411 HD1 PHE 86 1HD PHE 86 4.001 2.636 -3.185 1412 HD2 PHE 86 2HD PHE 86 4.231 1.103 -7.147 1413 HE1 PHE 86 1HE PHE 86 1.832 3.673 -3.707 1414 HE2 PHE 86 2HE PHE 86 2.063 2.136 -7.678 1415 HZ PHE 86 HZ PHE 86 0.860 3.424 -5.957 1416 H LYS 87 H LYS 87 7.713 2.852 -7.174 1417 HA LYS 87 HA LYS 87 6.374 5.461 -7.128 1418 1HB LYS 87 2HB LYS 87 7.944 5.745 -9.219 1419 2HB LYS 87 1HB LYS 87 8.580 5.906 -7.587 1420 1HG LYS 87 2HG LYS 87 9.273 3.511 -7.707 1421 2HG LYS 87 1HG LYS 87 8.804 3.524 -9.408 1422 1HD LYS 87 2HD LYS 87 10.582 5.713 -8.552 1423 2HD LYS 87 1HD LYS 87 11.290 4.097 -8.524 1424 1HE LYS 87 2HE LYS 87 10.141 3.971 -10.913 1425 2HE LYS 87 1HE LYS 87 10.331 5.721 -10.818 1426 1HZ LYS 87 1HZ LYS 87 12.743 4.768 -10.010 1427 2HZ LYS 87 2HZ LYS 87 12.385 5.355 -11.554 1428 3HZ LYS 87 3HZ LYS 87 12.311 3.694 -11.244 1429 H SER 88 H SER 88 5.043 6.149 -8.758 1430 HA SER 88 HA SER 88 4.071 4.040 -10.556 1431 1HB SER 88 2HB SER 88 2.732 6.007 -8.912 1432 2HB SER 88 1HB SER 88 2.241 6.161 -10.599 1433 HG SER 88 HG SER 88 0.988 4.638 -9.330 1434 H GLY 89 H GLY 89 6.322 6.018 -10.812 1435 1HA GLY 89 2HA GLY 89 7.344 6.930 -12.687 1436 2HA GLY 89 1HA GLY 89 5.869 6.628 -13.594 Start of MODEL 10 1 1H MET 1 1HT MET 1 -25.971 3.898 2.038 2 2H MET 1 2HT MET 1 -27.585 4.484 2.019 3 3H MET 1 3HT MET 1 -26.458 5.106 3.155 4 HA MET 1 HA MET 1 -25.630 5.316 0.430 5 1HB MET 1 2HB MET 1 -28.117 6.683 1.465 6 2HB MET 1 1HB MET 1 -27.197 7.287 0.093 7 1HG MET 1 2HG MET 1 -28.433 4.548 0.251 8 2HG MET 1 1HG MET 1 -29.170 5.941 -0.539 9 1HE MET 1 1HE MET 1 -29.006 3.407 -1.911 10 2HE MET 1 2HE MET 1 -27.419 2.726 -1.556 11 3HE MET 1 3HE MET 1 -27.811 3.237 -3.197 12 H CYS 2 H CYS 2 -26.134 6.429 3.677 13 HA CYS 2 HA CYS 2 -24.286 8.669 3.247 14 1HB CYS 2 2HB CYS 2 -25.535 8.397 5.898 15 2HB CYS 2 1HB CYS 2 -25.371 9.814 4.868 16 HG CYS 2 HG CYS 2 -27.832 9.467 4.756 17 H ASP 3 H ASP 3 -24.515 7.786 6.479 18 HA ASP 3 HA ASP 3 -22.729 7.299 7.884 19 1HB ASP 3 2HB ASP 3 -22.317 4.857 7.871 20 2HB ASP 3 1HB ASP 3 -24.031 5.244 7.752 21 H ARG 4 H ARG 4 -21.633 8.775 5.912 22 HA ARG 4 HA ARG 4 -19.715 7.768 4.251 23 1HB ARG 4 2HB ARG 4 -19.413 10.239 5.967 24 2HB ARG 4 1HB ARG 4 -18.537 9.893 4.481 25 1HG ARG 4 2HG ARG 4 -21.525 10.211 4.653 26 2HG ARG 4 1HG ARG 4 -20.404 11.498 4.203 27 1HD ARG 4 2HD ARG 4 -19.570 9.763 2.442 28 2HD ARG 4 1HD ARG 4 -21.142 9.014 2.714 29 HE ARG 4 HE ARG 4 -21.197 11.849 2.132 30 1HH1 ARG 4 1HH1 ARG 4 -21.380 8.605 0.876 31 2HH1 ARG 4 2HH1 ARG 4 -22.210 9.074 -0.571 32 1HH2 ARG 4 1HH2 ARG 4 -22.289 12.476 0.232 33 2HH2 ARG 4 2HH2 ARG 4 -22.726 11.276 -0.937 34 H LYS 5 H LYS 5 -19.250 8.593 7.687 35 HA LYS 5 HA LYS 5 -17.709 7.910 9.218 36 1HB LYS 5 2HB LYS 5 -17.480 5.573 7.312 37 2HB LYS 5 1HB LYS 5 -16.735 5.628 8.903 38 1HG LYS 5 2HG LYS 5 -19.694 5.918 8.464 39 2HG LYS 5 1HG LYS 5 -18.899 4.370 8.753 40 1HD LYS 5 2HD LYS 5 -18.730 6.742 10.607 41 2HD LYS 5 1HD LYS 5 -19.873 5.411 10.798 42 1HE LYS 5 2HE LYS 5 -16.998 4.731 10.504 43 2HE LYS 5 1HE LYS 5 -17.516 5.453 12.028 44 1HZ LYS 5 1HZ LYS 5 -17.737 3.176 12.355 45 2HZ LYS 5 2HZ LYS 5 -18.381 2.902 10.816 46 3HZ LYS 5 3HZ LYS 5 -19.315 3.670 11.998 47 H ALA 6 H ALA 6 -15.263 6.675 9.029 48 HA ALA 6 HA ALA 6 -13.070 7.144 8.637 49 1HB ALA 6 1HB ALA 6 -12.476 7.679 6.264 50 2HB ALA 6 2HB ALA 6 -14.202 7.721 5.907 51 3HB ALA 6 3HB ALA 6 -13.454 6.227 6.472 52 H VAL 7 H VAL 7 -11.593 8.807 8.768 53 HA VAL 7 HA VAL 7 -12.760 11.508 8.810 54 HB VAL 7 HB VAL 7 -10.226 10.606 10.183 55 1HG1 VAL 7 1HG1 VAL 7 -10.684 12.681 11.542 56 2HG1 VAL 7 2HG1 VAL 7 -11.907 13.098 10.342 57 3HG1 VAL 7 3HG1 VAL 7 -10.215 12.956 9.864 58 1HG2 VAL 7 1HG2 VAL 7 -11.399 10.224 12.157 59 2HG2 VAL 7 2HG2 VAL 7 -12.434 9.496 10.928 60 3HG2 VAL 7 3HG2 VAL 7 -12.831 11.082 11.589 61 H ILE 8 H ILE 8 -12.427 11.634 6.470 62 HA ILE 8 HA ILE 8 -10.088 11.348 5.089 63 HB ILE 8 HB ILE 8 -12.491 13.019 4.742 64 1HG1 ILE 8 2HG1 ILE 8 -11.642 12.100 2.282 65 2HG1 ILE 8 1HG1 ILE 8 -11.023 10.885 3.396 66 1HG2 ILE 8 1HG2 ILE 8 -10.474 13.719 2.738 67 2HG2 ILE 8 2HG2 ILE 8 -10.195 14.414 4.335 68 3HG2 ILE 8 3HG2 ILE 8 -11.717 14.714 3.496 69 1HD1 ILE 8 1HD1 ILE 8 -13.727 11.523 4.075 70 2HD1 ILE 8 2HD1 ILE 8 -13.029 9.980 3.583 71 3HD1 ILE 8 3HD1 ILE 8 -13.613 11.113 2.364 72 H LYS 9 H LYS 9 -8.436 12.808 4.430 73 HA LYS 9 HA LYS 9 -7.968 15.116 6.174 74 1HB LYS 9 2HB LYS 9 -5.812 13.083 5.588 75 2HB LYS 9 1HB LYS 9 -5.713 14.465 6.670 76 1HG LYS 9 2HG LYS 9 -7.868 12.629 7.351 77 2HG LYS 9 1HG LYS 9 -6.267 11.890 7.407 78 1HD LYS 9 2HD LYS 9 -5.634 13.100 9.198 79 2HD LYS 9 1HD LYS 9 -6.441 14.560 8.621 80 1HE LYS 9 2HE LYS 9 -8.614 13.226 9.214 81 2HE LYS 9 1HE LYS 9 -7.524 12.301 10.247 82 1HZ LYS 9 1HZ LYS 9 -8.750 14.477 11.073 83 2HZ LYS 9 2HZ LYS 9 -7.369 15.208 10.425 84 3HZ LYS 9 3HZ LYS 9 -7.217 14.039 11.638 85 H ASN 10 H ASN 10 -7.734 13.518 3.175 86 HA ASN 10 HA ASN 10 -7.135 15.922 1.776 87 1HB ASN 10 2HB ASN 10 -4.895 14.421 2.645 88 2HB ASN 10 1HB ASN 10 -5.041 14.162 0.909 89 1HD2 ASN 10 1HD2 ASN 10 -6.452 17.055 1.589 90 2HD2 ASN 10 2HD2 ASN 10 -5.114 18.105 1.285 91 H ALA 11 H ALA 11 -8.880 15.502 0.490 92 HA ALA 11 HA ALA 11 -8.825 12.993 -1.050 93 1HB ALA 11 1HB ALA 11 -11.163 14.760 -0.352 94 2HB ALA 11 2HB ALA 11 -10.808 13.162 0.303 95 3HB ALA 11 3HB ALA 11 -11.246 13.341 -1.396 96 H ASP 12 H ASP 12 -7.246 14.093 -2.465 97 HA ASP 12 HA ASP 12 -8.125 16.299 -4.076 98 1HB ASP 12 2HB ASP 12 -5.752 14.455 -4.125 99 2HB ASP 12 1HB ASP 12 -6.074 15.519 -5.492 100 H MET 13 H MET 13 -9.980 14.210 -4.033 101 HA MET 13 HA MET 13 -10.037 13.489 -6.872 102 1HB MET 13 2HB MET 13 -9.561 11.374 -6.242 103 2HB MET 13 1HB MET 13 -9.917 11.701 -4.555 104 1HG MET 13 2HG MET 13 -12.371 11.650 -5.972 105 2HG MET 13 1HG MET 13 -11.432 10.236 -6.442 106 1HE MET 13 1HE MET 13 -11.318 7.977 -3.576 107 2HE MET 13 2HE MET 13 -10.676 8.488 -5.138 108 3HE MET 13 3HE MET 13 -12.363 7.992 -4.996 109 H SER 14 H SER 14 -12.326 12.620 -7.435 110 HA SER 14 HA SER 14 -14.176 14.648 -7.086 111 1HB SER 14 2HB SER 14 -14.543 13.222 -8.916 112 2HB SER 14 1HB SER 14 -14.462 11.771 -7.918 113 HG SER 14 HG SER 14 -16.592 13.374 -8.493 114 H GLU 15 H GLU 15 -15.728 15.125 -5.642 115 HA GLU 15 HA GLU 15 -15.648 14.250 -3.031 116 1HB GLU 15 2HB GLU 15 -18.199 15.070 -3.149 117 2HB GLU 15 1HB GLU 15 -16.837 16.181 -3.139 118 1HG GLU 15 2HG GLU 15 -17.281 16.911 -5.191 119 2HG GLU 15 1HG GLU 15 -17.515 15.278 -5.812 120 H GLU 16 H GLU 16 -18.578 13.628 -4.938 121 HA GLU 16 HA GLU 16 -19.607 11.594 -3.464 122 1HB GLU 16 2HB GLU 16 -20.974 11.059 -5.274 123 2HB GLU 16 1HB GLU 16 -20.515 12.721 -5.613 124 1HG GLU 16 2HG GLU 16 -18.561 11.100 -6.813 125 2HG GLU 16 1HG GLU 16 -20.121 10.372 -7.191 126 H MET 17 H MET 17 -16.867 11.473 -5.581 127 HA MET 17 HA MET 17 -16.743 8.605 -5.704 128 1HB MET 17 2HB MET 17 -15.698 9.364 -7.557 129 2HB MET 17 1HB MET 17 -15.245 10.884 -6.806 130 1HG MET 17 2HG MET 17 -13.172 10.166 -6.679 131 2HG MET 17 1HG MET 17 -13.691 8.889 -5.582 132 1HE MET 17 1HE MET 17 -14.936 6.994 -6.345 133 2HE MET 17 2HE MET 17 -13.842 5.855 -7.130 134 3HE MET 17 3HE MET 17 -15.200 6.535 -8.027 135 H GLN 18 H GLN 18 -15.279 11.136 -3.725 136 HA GLN 18 HA GLN 18 -13.417 9.368 -2.451 137 1HB GLN 18 2HB GLN 18 -13.649 11.430 -0.691 138 2HB GLN 18 1HB GLN 18 -12.565 11.416 -2.074 139 1HG GLN 18 2HG GLN 18 -14.947 12.323 -3.125 140 2HG GLN 18 1HG GLN 18 -14.872 13.076 -1.532 141 1HE2 GLN 18 1HE2 GLN 18 -11.857 12.283 -2.850 142 2HE2 GLN 18 2HE2 GLN 18 -11.408 13.858 -3.398 143 H GLN 19 H GLN 19 -16.698 10.406 -1.870 144 HA GLN 19 HA GLN 19 -16.859 9.408 0.803 145 1HB GLN 19 2HB GLN 19 -18.845 10.348 -1.241 146 2HB GLN 19 1HB GLN 19 -19.411 9.486 0.182 147 1HG GLN 19 2HG GLN 19 -19.218 11.295 1.445 148 2HG GLN 19 1HG GLN 19 -17.557 11.562 0.916 149 1HE2 GLN 19 1HE2 GLN 19 -17.268 13.483 0.071 150 2HE2 GLN 19 2HE2 GLN 19 -18.411 14.374 -0.869 151 H ASP 20 H ASP 20 -17.623 8.230 -2.417 152 HA ASP 20 HA ASP 20 -18.752 5.765 -1.607 153 1HB ASP 20 2HB ASP 20 -17.761 6.935 -4.152 154 2HB ASP 20 1HB ASP 20 -17.842 5.178 -4.069 155 H SER 21 H SER 21 -15.525 6.941 -2.087 156 HA SER 21 HA SER 21 -14.184 4.451 -2.217 157 1HB SER 21 2HB SER 21 -12.552 5.902 -2.750 158 2HB SER 21 1HB SER 21 -13.466 7.254 -2.084 159 HG SER 21 HG SER 21 -12.675 6.181 0.029 160 H VAL 22 H VAL 22 -14.932 6.674 0.447 161 HA VAL 22 HA VAL 22 -13.645 5.288 2.501 162 HB VAL 22 HB VAL 22 -16.164 6.951 2.642 163 1HG1 VAL 22 1HG1 VAL 22 -14.629 5.492 4.693 164 2HG1 VAL 22 2HG1 VAL 22 -16.323 5.985 4.676 165 3HG1 VAL 22 3HG1 VAL 22 -15.069 7.153 5.095 166 1HG2 VAL 22 1HG2 VAL 22 -14.646 8.526 2.051 167 2HG2 VAL 22 2HG2 VAL 22 -13.274 7.568 2.606 168 3HG2 VAL 22 3HG2 VAL 22 -14.254 8.460 3.770 169 H GLU 23 H GLU 23 -17.005 5.043 1.343 170 HA GLU 23 HA GLU 23 -17.864 3.077 3.143 171 1HB GLU 23 2HB GLU 23 -18.735 3.565 0.284 172 2HB GLU 23 1HB GLU 23 -19.593 2.547 1.432 173 1HG GLU 23 2HG GLU 23 -19.027 5.379 2.151 174 2HG GLU 23 1HG GLU 23 -20.326 5.018 1.015 175 H CYS 24 H CYS 24 -16.124 2.847 0.097 176 HA CYS 24 HA CYS 24 -16.282 0.025 -0.164 177 1HB CYS 24 2HB CYS 24 -15.703 1.548 -2.039 178 2HB CYS 24 1HB CYS 24 -14.175 1.914 -1.246 179 HG CYS 24 HG CYS 24 -13.523 -0.634 -1.630 180 H ALA 25 H ALA 25 -14.161 2.212 1.544 181 HA ALA 25 HA ALA 25 -12.176 0.247 2.198 182 1HB ALA 25 1HB ALA 25 -12.247 2.975 2.305 183 2HB ALA 25 2HB ALA 25 -11.049 1.974 3.127 184 3HB ALA 25 3HB ALA 25 -12.467 2.552 4.003 185 H THR 26 H THR 26 -15.013 1.655 3.640 186 HA THR 26 HA THR 26 -14.902 0.383 6.152 187 HB THR 26 HB THR 26 -17.275 1.399 4.574 188 HG1 THR 26 1HG THR 26 -16.740 3.042 6.485 189 1HG2 THR 26 1HG2 THR 26 -18.505 1.513 6.563 190 2HG2 THR 26 2HG2 THR 26 -17.098 1.113 7.548 191 3HG2 THR 26 3HG2 THR 26 -17.820 -0.111 6.503 192 H GLN 27 H GLN 27 -16.249 -0.473 3.024 193 HA GLN 27 HA GLN 27 -17.693 -2.757 3.789 194 1HB GLN 27 2HB GLN 27 -16.434 -1.868 1.209 195 2HB GLN 27 1HB GLN 27 -17.201 -3.445 1.338 196 1HG GLN 27 2HG GLN 27 -18.732 -1.065 2.230 197 2HG GLN 27 1HG GLN 27 -18.514 -1.323 0.499 198 1HE2 GLN 27 1HE2 GLN 27 -20.286 -2.149 3.248 199 2HE2 GLN 27 2HE2 GLN 27 -21.210 -3.442 2.568 200 H ALA 28 H ALA 28 -14.358 -2.270 2.771 201 HA ALA 28 HA ALA 28 -13.656 -5.049 2.996 202 1HB ALA 28 1HB ALA 28 -11.765 -2.706 2.899 203 2HB ALA 28 2HB ALA 28 -12.536 -3.384 1.465 204 3HB ALA 28 3HB ALA 28 -11.447 -4.377 2.434 205 H LEU 29 H LEU 29 -14.097 -2.484 5.147 206 HA LEU 29 HA LEU 29 -12.206 -3.357 7.139 207 1HB LEU 29 2HB LEU 29 -14.352 -1.265 7.072 208 2HB LEU 29 1HB LEU 29 -13.506 -1.667 8.555 209 HG LEU 29 HG LEU 29 -11.754 -1.100 6.267 210 1HD1 LEU 29 1HD1 LEU 29 -12.337 1.442 7.176 211 2HD1 LEU 29 2HD1 LEU 29 -13.916 0.695 6.935 212 3HD1 LEU 29 3HD1 LEU 29 -12.759 0.759 5.606 213 1HD2 LEU 29 1HD2 LEU 29 -11.869 -0.637 9.195 214 2HD2 LEU 29 2HD2 LEU 29 -10.900 0.473 8.225 215 3HD2 LEU 29 3HD2 LEU 29 -10.555 -1.256 8.195 216 H GLU 30 H GLU 30 -15.720 -3.416 6.688 217 HA GLU 30 HA GLU 30 -16.240 -4.789 9.138 218 1HB GLU 30 2HB GLU 30 -17.778 -3.666 6.952 219 2HB GLU 30 1HB GLU 30 -18.416 -5.229 7.446 220 1HG GLU 30 2HG GLU 30 -17.843 -3.724 9.783 221 2HG GLU 30 1HG GLU 30 -18.766 -2.708 8.677 222 H LYS 31 H LYS 31 -15.715 -5.759 5.806 223 HA LYS 31 HA LYS 31 -16.477 -8.494 6.264 224 1HB LYS 31 2HB LYS 31 -15.436 -6.911 3.977 225 2HB LYS 31 1HB LYS 31 -15.141 -8.643 3.951 226 1HG LYS 31 2HG LYS 31 -17.317 -9.151 3.617 227 2HG LYS 31 1HG LYS 31 -17.898 -7.784 4.569 228 1HD LYS 31 2HD LYS 31 -17.437 -6.262 2.767 229 2HD LYS 31 1HD LYS 31 -16.653 -7.538 1.834 230 1HE LYS 31 2HE LYS 31 -19.263 -8.419 2.542 231 2HE LYS 31 1HE LYS 31 -19.391 -6.795 1.866 232 1HZ LYS 31 1HZ LYS 31 -19.310 -7.808 -0.100 233 2HZ LYS 31 2HZ LYS 31 -18.773 -9.271 0.559 234 3HZ LYS 31 3HZ LYS 31 -17.660 -8.051 0.191 235 H TYR 32 H TYR 32 -13.560 -6.610 6.402 236 HA TYR 32 HA TYR 32 -12.171 -8.834 7.614 237 1HB TYR 32 2HB TYR 32 -10.423 -7.646 5.610 238 2HB TYR 32 1HB TYR 32 -10.719 -9.342 5.979 239 HD1 TYR 32 1HD TYR 32 -12.593 -6.500 4.416 240 HD2 TYR 32 2HD TYR 32 -11.511 -10.608 4.227 241 HE1 TYR 32 1HE TYR 32 -13.838 -6.722 2.309 242 HE2 TYR 32 2HE TYR 32 -12.756 -10.843 2.120 243 HH TYR 32 HH TYR 32 -14.043 -9.843 0.618 244 H ASN 33 H ASN 33 -10.367 -8.212 8.848 245 HA ASN 33 HA ASN 33 -10.108 -5.299 9.223 246 1HB ASN 33 2HB ASN 33 -9.406 -5.927 11.587 247 2HB ASN 33 1HB ASN 33 -11.103 -6.173 11.191 248 1HD2 ASN 33 1HD2 ASN 33 -11.857 -7.954 12.045 249 2HD2 ASN 33 2HD2 ASN 33 -11.010 -9.450 12.215 250 H ILE 34 H ILE 34 -8.573 -6.880 7.364 251 HA ILE 34 HA ILE 34 -5.900 -6.758 8.603 252 HB ILE 34 HB ILE 34 -6.454 -8.189 6.030 253 1HG1 ILE 34 2HG1 ILE 34 -8.065 -9.092 7.624 254 2HG1 ILE 34 1HG1 ILE 34 -6.793 -10.269 7.303 255 1HG2 ILE 34 1HG2 ILE 34 -4.246 -7.923 7.920 256 2HG2 ILE 34 2HG2 ILE 34 -4.232 -8.364 6.213 257 3HG2 ILE 34 3HG2 ILE 34 -4.573 -9.587 7.436 258 1HD1 ILE 34 1HD1 ILE 34 -7.501 -10.045 9.691 259 2HD1 ILE 34 2HD1 ILE 34 -6.770 -8.439 9.678 260 3HD1 ILE 34 3HD1 ILE 34 -5.774 -9.866 9.389 261 H GLU 35 H GLU 35 -5.011 -4.832 8.139 262 HA GLU 35 HA GLU 35 -5.546 -2.918 6.400 263 1HB GLU 35 2HB GLU 35 -2.739 -3.965 6.802 264 2HB GLU 35 1HB GLU 35 -3.164 -2.357 6.235 265 1HG GLU 35 2HG GLU 35 -2.872 -1.828 8.397 266 2HG GLU 35 1HG GLU 35 -4.537 -2.388 8.531 267 H LYS 36 H LYS 36 -3.011 -5.181 5.347 268 HA LYS 36 HA LYS 36 -2.997 -4.626 2.688 269 1HB LYS 36 2HB LYS 36 -2.879 -7.517 3.230 270 2HB LYS 36 1HB LYS 36 -1.692 -6.463 2.474 271 1HG LYS 36 2HG LYS 36 -1.151 -5.605 4.778 272 2HG LYS 36 1HG LYS 36 -2.154 -6.914 5.408 273 1HD LYS 36 2HD LYS 36 -0.365 -8.004 3.483 274 2HD LYS 36 1HD LYS 36 0.566 -7.003 4.599 275 1HE LYS 36 2HE LYS 36 -1.268 -8.470 6.155 276 2HE LYS 36 1HE LYS 36 -0.558 -9.604 5.008 277 1HZ LYS 36 1HZ LYS 36 1.592 -9.133 5.790 278 2HZ LYS 36 2HZ LYS 36 0.648 -9.306 7.182 279 3HZ LYS 36 3HZ LYS 36 1.086 -7.764 6.644 280 H ASP 37 H ASP 37 -4.932 -7.266 4.119 281 HA ASP 37 HA ASP 37 -6.347 -8.084 1.937 282 1HB ASP 37 2HB ASP 37 -6.532 -8.476 4.687 283 2HB ASP 37 1HB ASP 37 -8.108 -7.826 4.245 284 H ILE 38 H ILE 38 -7.597 -5.676 4.245 285 HA ILE 38 HA ILE 38 -9.810 -4.822 2.897 286 HB ILE 38 HB ILE 38 -7.963 -2.917 4.329 287 1HG1 ILE 38 2HG1 ILE 38 -10.125 -4.416 5.750 288 2HG1 ILE 38 1HG1 ILE 38 -8.578 -5.211 5.480 289 1HG2 ILE 38 1HG2 ILE 38 -10.859 -2.752 4.720 290 2HG2 ILE 38 2HG2 ILE 38 -10.323 -2.438 3.069 291 3HG2 ILE 38 3HG2 ILE 38 -9.679 -1.481 4.403 292 1HD1 ILE 38 1HD1 ILE 38 -9.306 -3.113 7.361 293 2HD1 ILE 38 2HD1 ILE 38 -7.814 -2.788 6.477 294 3HD1 ILE 38 3HD1 ILE 38 -7.981 -4.276 7.409 295 H ALA 39 H ALA 39 -6.537 -3.440 2.598 296 HA ALA 39 HA ALA 39 -7.073 -1.507 0.689 297 1HB ALA 39 1HB ALA 39 -4.835 -1.207 0.588 298 2HB ALA 39 2HB ALA 39 -4.499 -2.929 0.416 299 3HB ALA 39 3HB ALA 39 -4.862 -2.256 2.004 300 H ALA 40 H ALA 40 -6.475 -4.953 0.280 301 HA ALA 40 HA ALA 40 -6.210 -4.936 -2.535 302 1HB ALA 40 1HB ALA 40 -7.137 -7.174 -0.739 303 2HB ALA 40 2HB ALA 40 -5.462 -6.806 -1.144 304 3HB ALA 40 3HB ALA 40 -6.575 -7.341 -2.402 305 H HIS 41 H HIS 41 -8.948 -6.213 -0.643 306 HA HIS 41 HA HIS 41 -10.785 -6.485 -2.644 307 1HB HIS 41 2HB HIS 41 -11.912 -5.334 -0.173 308 2HB HIS 41 1HB HIS 41 -12.293 -6.847 -0.989 309 HD1 HIS 41 1HD HIS 41 -11.507 -6.122 2.164 310 HD2 HIS 41 2HD HIS 41 -9.394 -8.335 -0.645 311 HE1 HIS 41 1HE HIS 41 -9.989 -7.621 3.493 312 HE2 HIS 41 2HE HIS 41 -8.799 -9.025 1.774 313 H ILE 42 H ILE 42 -9.955 -3.534 -0.898 314 HA ILE 42 HA ILE 42 -11.974 -1.888 -1.956 315 HB ILE 42 HB ILE 42 -9.207 -1.128 -1.013 316 1HG1 ILE 42 2HG1 ILE 42 -11.876 -1.137 0.418 317 2HG1 ILE 42 1HG1 ILE 42 -10.554 -2.268 0.696 318 1HG2 ILE 42 1HG2 ILE 42 -10.626 1.070 -0.557 319 2HG2 ILE 42 2HG2 ILE 42 -11.527 0.464 -1.947 320 3HG2 ILE 42 3HG2 ILE 42 -9.798 0.786 -2.088 321 1HD1 ILE 42 1HD1 ILE 42 -10.516 -0.660 2.438 322 2HD1 ILE 42 2HD1 ILE 42 -10.599 0.676 1.290 323 3HD1 ILE 42 3HD1 ILE 42 -9.148 -0.323 1.379 324 H LYS 43 H LYS 43 -8.514 -1.828 -2.833 325 HA LYS 43 HA LYS 43 -8.667 -0.283 -5.081 326 1HB LYS 43 2HB LYS 43 -6.558 -1.095 -4.090 327 2HB LYS 43 1HB LYS 43 -6.894 -2.704 -4.713 328 1HG LYS 43 2HG LYS 43 -6.652 -0.305 -6.501 329 2HG LYS 43 1HG LYS 43 -5.264 -1.288 -6.027 330 1HD LYS 43 2HD LYS 43 -7.681 -2.619 -7.165 331 2HD LYS 43 1HD LYS 43 -6.556 -1.796 -8.249 332 1HE LYS 43 2HE LYS 43 -4.774 -3.176 -6.875 333 2HE LYS 43 1HE LYS 43 -6.159 -4.224 -6.571 334 1HZ LYS 43 1HZ LYS 43 -5.701 -5.140 -8.527 335 2HZ LYS 43 2HZ LYS 43 -4.608 -3.920 -8.947 336 3HZ LYS 43 3HZ LYS 43 -6.258 -3.717 -9.256 337 H LYS 44 H LYS 44 -9.097 -3.806 -4.896 338 HA LYS 44 HA LYS 44 -9.457 -4.357 -7.583 339 1HB LYS 44 2HB LYS 44 -9.806 -5.734 -5.148 340 2HB LYS 44 1HB LYS 44 -11.326 -5.890 -6.018 341 1HG LYS 44 2HG LYS 44 -10.345 -7.027 -7.788 342 2HG LYS 44 1HG LYS 44 -8.725 -6.452 -7.385 343 1HD LYS 44 2HD LYS 44 -9.047 -7.787 -5.196 344 2HD LYS 44 1HD LYS 44 -10.352 -8.598 -6.065 345 1HE LYS 44 2HE LYS 44 -7.419 -8.548 -6.714 346 2HE LYS 44 1HE LYS 44 -8.442 -9.943 -6.379 347 1HZ LYS 44 1HZ LYS 44 -8.162 -9.949 -8.677 348 2HZ LYS 44 2HZ LYS 44 -8.354 -8.275 -8.816 349 3HZ LYS 44 3HZ LYS 44 -9.690 -9.252 -8.469 350 H GLU 45 H GLU 45 -12.085 -3.894 -5.228 351 HA GLU 45 HA GLU 45 -14.222 -3.776 -6.923 352 1HB GLU 45 2HB GLU 45 -14.253 -3.607 -4.398 353 2HB GLU 45 1HB GLU 45 -13.879 -1.899 -4.580 354 1HG GLU 45 2HG GLU 45 -16.257 -2.265 -4.220 355 2HG GLU 45 1HG GLU 45 -15.945 -1.550 -5.802 356 H PHE 46 H PHE 46 -12.368 -0.930 -5.825 357 HA PHE 46 HA PHE 46 -13.581 0.970 -7.429 358 1HB PHE 46 2HB PHE 46 -11.046 0.740 -5.968 359 2HB PHE 46 1HB PHE 46 -10.973 1.834 -7.346 360 HD1 PHE 46 1HD PHE 46 -13.083 1.070 -4.373 361 HD2 PHE 46 2HD PHE 46 -11.640 4.025 -7.076 362 HE1 PHE 46 1HE PHE 46 -14.165 2.825 -3.028 363 HE2 PHE 46 2HE PHE 46 -12.720 5.783 -5.736 364 HZ PHE 46 HZ PHE 46 -13.984 5.185 -3.710 365 H ASP 47 H ASP 47 -10.937 -1.242 -8.182 366 HA ASP 47 HA ASP 47 -10.255 -0.183 -10.696 367 1HB ASP 47 2HB ASP 47 -8.766 -1.739 -9.628 368 2HB ASP 47 1HB ASP 47 -10.015 -2.979 -9.573 369 H LYS 48 H LYS 48 -12.900 -2.123 -9.629 370 HA LYS 48 HA LYS 48 -13.789 -2.434 -12.415 371 1HB LYS 48 2HB LYS 48 -13.803 -4.295 -10.125 372 2HB LYS 48 1HB LYS 48 -15.288 -4.260 -11.066 373 1HG LYS 48 2HG LYS 48 -12.719 -4.479 -12.536 374 2HG LYS 48 1HG LYS 48 -13.292 -5.891 -11.645 375 1HD LYS 48 2HD LYS 48 -14.041 -5.893 -13.992 376 2HD LYS 48 1HD LYS 48 -15.392 -5.842 -12.858 377 1HE LYS 48 2HE LYS 48 -16.121 -3.929 -13.724 378 2HE LYS 48 1HE LYS 48 -14.538 -3.178 -13.515 379 1HZ LYS 48 1HZ LYS 48 -14.104 -4.733 -15.642 380 2HZ LYS 48 2HZ LYS 48 -14.583 -3.115 -15.744 381 3HZ LYS 48 3HZ LYS 48 -15.734 -4.347 -15.880 382 H LYS 49 H LYS 49 -14.224 -0.549 -9.861 383 HA LYS 49 HA LYS 49 -17.148 -0.413 -10.102 384 1HB LYS 49 2HB LYS 49 -15.406 -0.281 -7.860 385 2HB LYS 49 1HB LYS 49 -16.158 1.297 -8.040 386 1HG LYS 49 2HG LYS 49 -17.622 -1.326 -7.846 387 2HG LYS 49 1HG LYS 49 -17.425 -0.153 -6.542 388 1HD LYS 49 2HD LYS 49 -18.460 1.157 -8.871 389 2HD LYS 49 1HD LYS 49 -19.454 -0.251 -8.494 390 1HE LYS 49 2HE LYS 49 -20.338 0.745 -6.706 391 2HE LYS 49 1HE LYS 49 -18.752 1.237 -6.111 392 1HZ LYS 49 1HZ LYS 49 -19.258 2.865 -8.266 393 2HZ LYS 49 2HZ LYS 49 -19.340 3.297 -6.631 394 3HZ LYS 49 3HZ LYS 49 -20.733 2.784 -7.439 395 H TYR 50 H TYR 50 -14.274 1.128 -11.006 396 HA TYR 50 HA TYR 50 -15.788 3.398 -12.033 397 1HB TYR 50 2HB TYR 50 -13.184 3.896 -10.606 398 2HB TYR 50 1HB TYR 50 -14.405 5.066 -11.099 399 HD1 TYR 50 1HD TYR 50 -13.498 2.534 -8.604 400 HD2 TYR 50 2HD TYR 50 -16.385 5.440 -9.755 401 HE1 TYR 50 1HE TYR 50 -14.515 2.402 -6.369 402 HE2 TYR 50 2HE TYR 50 -17.408 5.316 -7.523 403 HH TYR 50 HH TYR 50 -16.517 2.886 -5.224 404 H ASN 51 H ASN 51 -12.391 2.350 -11.729 405 HA ASN 51 HA ASN 51 -11.781 1.367 -14.128 406 1HB ASN 51 2HB ASN 51 -11.342 3.054 -15.712 407 2HB ASN 51 1HB ASN 51 -12.896 3.513 -15.024 408 1HD2 ASN 51 1HD2 ASN 51 -10.650 5.032 -16.309 409 2HD2 ASN 51 2HD2 ASN 51 -10.312 6.315 -15.203 410 HA PRO 52 HA PRO 52 -8.078 1.486 -11.598 411 1HB PRO 52 2HB PRO 52 -6.534 0.130 -13.461 412 2HB PRO 52 1HB PRO 52 -7.525 -0.630 -12.214 413 1HG PRO 52 2HG PRO 52 -8.140 -0.158 -15.101 414 2HG PRO 52 1HG PRO 52 -8.512 -1.567 -14.087 415 1HD PRO 52 2HD PRO 52 -10.394 0.232 -14.696 416 2HD PRO 52 1HD PRO 52 -10.331 -0.522 -13.087 417 H THR 53 H THR 53 -5.428 3.391 -13.171 418 HA THR 53 HA THR 53 -6.047 0.973 -11.629 419 HB THR 53 HB THR 53 -3.437 2.287 -12.391 420 HG1 THR 53 1HG THR 53 -3.544 -0.296 -12.926 421 1HG2 THR 53 1HG2 THR 53 -3.866 0.823 -10.050 422 2HG2 THR 53 2HG2 THR 53 -2.326 1.264 -10.785 423 3HG2 THR 53 3HG2 THR 53 -3.081 -0.278 -11.183 424 H TRP 54 H TRP 54 -6.497 1.163 -9.537 425 HA TRP 54 HA TRP 54 -5.987 3.721 -8.225 426 1HB TRP 54 2HB TRP 54 -7.672 1.390 -7.299 427 2HB TRP 54 1HB TRP 54 -7.590 2.978 -6.542 428 HD1 TRP 54 HD TRP 54 -8.780 1.337 -9.829 429 HE1 TRP 54 1HE TRP 54 -10.660 2.793 -10.809 430 HE3 TRP 54 3HE TRP 54 -8.637 5.204 -6.493 431 HZ2 TRP 54 2HZ TRP 54 -11.921 5.253 -10.245 432 HZ3 TRP 54 3HZ TRP 54 -10.212 7.071 -6.785 433 HH2 TRP 54 HH TRP 54 -11.818 7.093 -8.622 434 H HIS 55 H HIS 55 -4.484 4.012 -6.762 435 HA HIS 55 HA HIS 55 -3.123 1.666 -5.616 436 1HB HIS 55 2HB HIS 55 -2.007 4.450 -5.489 437 2HB HIS 55 1HB HIS 55 -1.151 2.913 -5.487 438 HD1 HIS 55 1HD HIS 55 -3.606 3.142 -8.193 439 HD2 HIS 55 2HD HIS 55 0.373 4.182 -7.607 440 HE1 HIS 55 1HE HIS 55 -2.667 3.524 -10.491 441 HE2 HIS 55 2HE HIS 55 -0.288 4.256 -10.105 442 H CYS 56 H CYS 56 -4.366 1.261 -3.813 443 HA CYS 56 HA CYS 56 -4.799 3.524 -1.985 444 1HB CYS 56 2HB CYS 56 -6.697 2.362 -1.103 445 2HB CYS 56 1HB CYS 56 -6.821 2.347 -2.859 446 HG CYS 56 HG CYS 56 -7.236 -0.034 -1.478 447 H ILE 57 H ILE 57 -4.400 3.352 0.181 448 HA ILE 57 HA ILE 57 -2.948 0.972 1.125 449 HB ILE 57 HB ILE 57 -2.106 3.805 1.750 450 1HG1 ILE 57 2HG1 ILE 57 -1.469 3.476 -0.505 451 2HG1 ILE 57 1HG1 ILE 57 -0.023 3.130 0.436 452 1HG2 ILE 57 1HG2 ILE 57 -1.751 1.723 3.343 453 2HG2 ILE 57 2HG2 ILE 57 -0.513 2.964 3.143 454 3HG2 ILE 57 3HG2 ILE 57 -0.386 1.440 2.264 455 1HD1 ILE 57 1HD1 ILE 57 -1.167 1.540 -1.515 456 2HD1 ILE 57 2HD1 ILE 57 -1.590 0.748 0.002 457 3HD1 ILE 57 3HD1 ILE 57 0.100 1.077 -0.380 458 H VAL 58 H VAL 58 -4.242 0.168 2.663 459 HA VAL 58 HA VAL 58 -5.605 2.045 4.472 460 HB VAL 58 HB VAL 58 -7.194 0.684 3.335 461 1HG1 VAL 58 1HG1 VAL 58 -6.233 -1.901 4.352 462 2HG1 VAL 58 2HG1 VAL 58 -5.231 -1.159 3.104 463 3HG1 VAL 58 3HG1 VAL 58 -6.937 -1.482 2.790 464 1HG2 VAL 58 1HG2 VAL 58 -8.372 0.450 5.202 465 2HG2 VAL 58 2HG2 VAL 58 -6.889 0.684 6.128 466 3HG2 VAL 58 3HG2 VAL 58 -7.406 -0.944 5.686 467 H GLY 59 H GLY 59 -4.952 2.173 6.512 468 1HA GLY 59 2HA GLY 59 -3.823 -0.182 7.824 469 2HA GLY 59 1HA GLY 59 -2.813 1.254 7.736 470 H ARG 60 H ARG 60 -2.747 1.961 9.800 471 HA ARG 60 HA ARG 60 -5.132 3.081 10.921 472 1HB ARG 60 2HB ARG 60 -4.632 1.756 13.121 473 2HB ARG 60 1HB ARG 60 -5.625 1.044 11.856 474 1HG ARG 60 2HG ARG 60 -3.302 0.110 11.038 475 2HG ARG 60 1HG ARG 60 -2.880 0.341 12.736 476 1HD ARG 60 2HD ARG 60 -5.101 -0.910 13.200 477 2HD ARG 60 1HD ARG 60 -4.956 -1.446 11.526 478 HE ARG 60 HE ARG 60 -2.580 -2.142 12.422 479 1HH1 ARG 60 1HH1 ARG 60 -5.682 -2.452 13.975 480 2HH1 ARG 60 2HH1 ARG 60 -5.236 -3.865 14.874 481 1HH2 ARG 60 1HH2 ARG 60 -1.986 -4.007 13.595 482 2HH2 ARG 60 2HH2 ARG 60 -3.136 -4.748 14.657 483 H ASN 61 H ASN 61 -1.729 2.598 10.838 484 HA ASN 61 HA ASN 61 -1.317 5.097 12.233 485 1HB ASN 61 2HB ASN 61 -0.726 2.480 13.462 486 2HB ASN 61 1HB ASN 61 0.581 3.657 13.548 487 1HD2 ASN 61 1HD2 ASN 61 -1.552 2.451 15.438 488 2HD2 ASN 61 2HD2 ASN 61 -2.117 3.832 16.309 489 H PHE 62 H PHE 62 -0.887 4.201 9.535 490 HA PHE 62 HA PHE 62 2.035 4.065 9.363 491 1HB PHE 62 2HB PHE 62 1.797 3.199 7.192 492 2HB PHE 62 1HB PHE 62 0.492 2.439 8.099 493 HD1 PHE 62 1HD PHE 62 -1.788 2.873 7.578 494 HD2 PHE 62 2HD PHE 62 1.316 5.027 5.622 495 HE1 PHE 62 1HE PHE 62 -3.413 3.724 5.942 496 HE2 PHE 62 2HE PHE 62 -0.302 5.882 3.982 497 HZ PHE 62 HZ PHE 62 -2.677 5.232 4.140 498 H GLY 63 H GLY 63 2.716 5.215 7.119 499 1HA GLY 63 2HA GLY 63 1.516 7.905 7.077 500 2HA GLY 63 1HA GLY 63 3.253 7.724 7.294 501 H SER 64 H SER 64 0.743 8.018 5.056 502 HA SER 64 HA SER 64 2.279 6.850 2.877 503 1HB SER 64 2HB SER 64 0.281 7.429 1.488 504 2HB SER 64 1HB SER 64 -0.076 6.358 2.842 505 HG SER 64 HG SER 64 -0.553 9.148 2.675 506 H TYR 65 H TYR 65 3.439 7.932 1.466 507 HA TYR 65 HA TYR 65 3.079 10.826 1.192 508 1HB TYR 65 2HB TYR 65 4.965 10.324 2.794 509 2HB TYR 65 1HB TYR 65 5.799 9.532 1.461 510 HD1 TYR 65 1HD TYR 65 7.247 10.777 0.146 511 HD2 TYR 65 2HD TYR 65 4.222 12.798 2.353 512 HE1 TYR 65 1HE TYR 65 8.192 12.938 -0.549 513 HE2 TYR 65 2HE TYR 65 5.159 14.965 1.664 514 HH TYR 65 HH TYR 65 6.646 15.740 -0.458 515 H VAL 66 H VAL 66 1.961 9.886 -0.719 516 HA VAL 66 HA VAL 66 3.886 9.356 -2.887 517 HB VAL 66 HB VAL 66 2.320 7.932 -3.979 518 1HG1 VAL 66 1HG1 VAL 66 3.628 7.078 -1.949 519 2HG1 VAL 66 2HG1 VAL 66 2.290 6.094 -2.540 520 3HG1 VAL 66 3HG1 VAL 66 2.078 7.102 -1.109 521 1HG2 VAL 66 1HG2 VAL 66 0.094 7.917 -3.657 522 2HG2 VAL 66 2HG2 VAL 66 0.378 9.448 -2.829 523 3HG2 VAL 66 3HG2 VAL 66 0.249 7.955 -1.901 524 H THR 67 H THR 67 3.731 10.554 -4.699 525 HA THR 67 HA THR 67 2.232 12.960 -4.646 526 HB THR 67 HB THR 67 4.441 12.589 -5.815 527 HG1 THR 67 1HG THR 67 2.756 14.323 -6.252 528 1HG2 THR 67 1HG2 THR 67 3.638 12.007 -8.377 529 2HG2 THR 67 2HG2 THR 67 2.797 10.807 -7.396 530 3HG2 THR 67 3HG2 THR 67 4.551 10.951 -7.300 531 H HIS 68 H HIS 68 0.133 13.171 -5.028 532 HA HIS 68 HA HIS 68 -1.303 11.130 -6.511 533 1HB HIS 68 2HB HIS 68 -3.322 12.328 -5.800 534 2HB HIS 68 1HB HIS 68 -2.268 12.002 -4.429 535 HD1 HIS 68 1HD HIS 68 -0.499 14.235 -4.081 536 HD2 HIS 68 2HD HIS 68 -4.306 14.827 -5.640 537 HE1 HIS 68 1HE HIS 68 -1.011 16.667 -3.701 538 HE2 HIS 68 2HE HIS 68 -3.351 16.984 -4.581 539 H GLU 69 H GLU 69 -2.909 11.790 -8.177 540 HA GLU 69 HA GLU 69 -2.458 14.269 -9.573 541 1HB GLU 69 2HB GLU 69 -1.930 12.945 -11.738 542 2HB GLU 69 1HB GLU 69 -0.632 13.259 -10.597 543 1HG GLU 69 2HG GLU 69 -0.951 11.000 -9.662 544 2HG GLU 69 1HG GLU 69 -2.173 10.693 -10.895 545 H THR 70 H THR 70 -3.388 13.183 -12.116 546 HA THR 70 HA THR 70 -5.420 13.126 -13.171 547 HB THR 70 HB THR 70 -5.433 10.854 -13.157 548 HG1 THR 70 1HG THR 70 -7.296 10.298 -11.448 549 1HG2 THR 70 1HG2 THR 70 -5.107 11.013 -10.188 550 2HG2 THR 70 2HG2 THR 70 -4.024 10.312 -11.391 551 3HG2 THR 70 3HG2 THR 70 -5.541 9.505 -10.994 552 H LYS 71 H LYS 71 -6.908 11.863 -10.280 553 HA LYS 71 HA LYS 71 -7.817 14.115 -9.004 554 1HB LYS 71 2HB LYS 71 -9.109 13.742 -11.582 555 2HB LYS 71 1HB LYS 71 -10.273 13.736 -10.264 556 1HG LYS 71 2HG LYS 71 -8.284 15.904 -10.901 557 2HG LYS 71 1HG LYS 71 -10.034 15.967 -11.119 558 1HD LYS 71 2HD LYS 71 -8.565 15.727 -8.495 559 2HD LYS 71 1HD LYS 71 -9.386 17.165 -9.104 560 1HE LYS 71 2HE LYS 71 -10.729 14.527 -8.527 561 2HE LYS 71 1HE LYS 71 -10.709 15.905 -7.427 562 1HZ LYS 71 1HZ LYS 71 -11.998 17.174 -8.903 563 2HZ LYS 71 2HZ LYS 71 -12.739 15.655 -8.870 564 3HZ LYS 71 3HZ LYS 71 -11.770 16.093 -10.185 565 H HIS 72 H HIS 72 -7.333 11.125 -8.956 566 HA HIS 72 HA HIS 72 -9.721 10.437 -7.376 567 1HB HIS 72 2HB HIS 72 -8.074 8.593 -9.120 568 2HB HIS 72 1HB HIS 72 -9.372 8.076 -8.049 569 HD1 HIS 72 1HD HIS 72 -11.385 10.372 -8.777 570 HD2 HIS 72 2HD HIS 72 -9.312 8.025 -11.508 571 HE1 HIS 72 1HE HIS 72 -12.733 10.459 -10.897 572 HE2 HIS 72 2HE HIS 72 -11.483 8.996 -12.524 573 H PHE 73 H PHE 73 -8.066 11.590 -5.853 574 HA PHE 73 HA PHE 73 -6.562 9.452 -4.505 575 1HB PHE 73 2HB PHE 73 -4.788 10.687 -5.390 576 2HB PHE 73 1HB PHE 73 -5.640 12.218 -5.226 577 HD1 PHE 73 1HD PHE 73 -4.713 13.646 -3.703 578 HD2 PHE 73 2HD PHE 73 -4.570 9.462 -2.941 579 HE1 PHE 73 1HE PHE 73 -3.533 14.076 -1.586 580 HE2 PHE 73 2HE PHE 73 -3.390 9.884 -0.823 581 HZ PHE 73 HZ PHE 73 -2.870 12.193 -0.143 582 H ILE 74 H ILE 74 -8.032 9.092 -2.906 583 HA ILE 74 HA ILE 74 -8.800 11.415 -1.265 584 HB ILE 74 HB ILE 74 -10.635 10.116 -2.440 585 1HG1 ILE 74 2HG1 ILE 74 -10.445 10.935 0.390 586 2HG1 ILE 74 1HG1 ILE 74 -11.572 11.446 -0.854 587 1HG2 ILE 74 1HG2 ILE 74 -9.407 7.909 -1.719 588 2HG2 ILE 74 2HG2 ILE 74 -11.163 7.960 -1.868 589 3HG2 ILE 74 3HG2 ILE 74 -10.409 8.079 -0.278 590 1HD1 ILE 74 1HD1 ILE 74 -13.079 10.364 0.384 591 2HD1 ILE 74 2HD1 ILE 74 -11.853 9.420 1.230 592 3HD1 ILE 74 3HD1 ILE 74 -12.419 8.907 -0.360 593 H TYR 75 H TYR 75 -7.960 11.517 0.699 594 HA TYR 75 HA TYR 75 -7.007 9.030 1.954 595 1HB TYR 75 2HB TYR 75 -5.285 10.826 1.348 596 2HB TYR 75 1HB TYR 75 -6.008 11.796 2.627 597 HD1 TYR 75 1HD TYR 75 -4.508 11.866 4.391 598 HD2 TYR 75 2HD TYR 75 -5.216 8.153 2.441 599 HE1 TYR 75 1HE TYR 75 -3.102 10.729 6.058 600 HE2 TYR 75 2HE TYR 75 -3.813 7.005 4.102 601 HH TYR 75 HH TYR 75 -2.413 8.752 6.847 602 H PHE 76 H PHE 76 -7.692 8.538 3.978 603 HA PHE 76 HA PHE 76 -8.947 10.471 5.689 604 1HB PHE 76 2HB PHE 76 -11.094 9.004 5.775 605 2HB PHE 76 1HB PHE 76 -10.913 10.182 4.481 606 HD1 PHE 76 1HD PHE 76 -9.598 9.159 2.355 607 HD2 PHE 76 2HD PHE 76 -11.894 6.950 5.174 608 HE1 PHE 76 1HE PHE 76 -9.926 7.382 0.688 609 HE2 PHE 76 2HE PHE 76 -12.226 5.166 3.511 610 HZ PHE 76 HZ PHE 76 -11.241 5.383 1.265 611 H TYR 77 H TYR 77 -9.971 9.289 7.639 612 HA TYR 77 HA TYR 77 -8.471 6.836 8.253 613 1HB TYR 77 2HB TYR 77 -7.235 8.651 9.280 614 2HB TYR 77 1HB TYR 77 -8.701 9.277 10.024 615 HD1 TYR 77 1HD TYR 77 -9.489 8.410 12.091 616 HD2 TYR 77 2HD TYR 77 -6.304 6.461 10.051 617 HE1 TYR 77 1HE TYR 77 -9.064 7.032 14.083 618 HE2 TYR 77 2HE TYR 77 -5.870 5.078 12.038 619 HH TYR 77 HH TYR 77 -6.727 4.403 14.038 620 H LEU 78 H LEU 78 -10.291 5.558 8.060 621 HA LEU 78 HA LEU 78 -12.851 5.961 8.857 622 1HB LEU 78 2HB LEU 78 -11.115 3.567 8.712 623 2HB LEU 78 1HB LEU 78 -12.610 3.392 9.612 624 HG LEU 78 HG LEU 78 -12.864 2.669 7.288 625 1HD1 LEU 78 1HD1 LEU 78 -14.505 5.045 7.094 626 2HD1 LEU 78 2HD1 LEU 78 -14.548 4.343 8.711 627 3HD1 LEU 78 3HD1 LEU 78 -14.975 3.360 7.311 628 1HD2 LEU 78 1HD2 LEU 78 -12.932 4.652 5.599 629 2HD2 LEU 78 2HD2 LEU 78 -11.394 3.884 5.995 630 3HD2 LEU 78 3HD2 LEU 78 -11.833 5.417 6.747 631 H GLY 79 H GLY 79 -14.004 4.927 10.781 632 1HA GLY 79 2HA GLY 79 -13.760 6.230 13.072 633 2HA GLY 79 1HA GLY 79 -14.178 4.523 13.081 634 H GLN 80 H GLN 80 -11.764 3.398 12.316 635 HA GLN 80 HA GLN 80 -9.726 4.378 14.144 636 1HB GLN 80 2HB GLN 80 -11.331 2.771 15.365 637 2HB GLN 80 1HB GLN 80 -10.601 1.510 14.382 638 1HG GLN 80 2HG GLN 80 -8.552 3.104 15.587 639 2HG GLN 80 1HG GLN 80 -9.686 2.551 16.818 640 1HE2 GLN 80 1HE2 GLN 80 -8.725 0.905 17.794 641 2HE2 GLN 80 2HE2 GLN 80 -8.025 -0.465 17.007 642 H VAL 81 H VAL 81 -9.963 4.129 11.282 643 HA VAL 81 HA VAL 81 -7.543 2.580 10.789 644 HB VAL 81 HB VAL 81 -10.128 2.123 9.291 645 1HG1 VAL 81 1HG1 VAL 81 -7.404 1.015 8.628 646 2HG1 VAL 81 2HG1 VAL 81 -8.202 2.319 7.749 647 3HG1 VAL 81 3HG1 VAL 81 -8.912 0.705 7.771 648 1HG2 VAL 81 1HG2 VAL 81 -8.428 0.465 11.111 649 2HG2 VAL 81 2HG2 VAL 81 -9.445 -0.302 9.891 650 3HG2 VAL 81 3HG2 VAL 81 -10.172 0.719 11.132 651 H ALA 82 H ALA 82 -6.836 2.953 8.413 652 HA ALA 82 HA ALA 82 -7.599 5.647 7.522 653 1HB ALA 82 1HB ALA 82 -4.806 4.632 7.997 654 2HB ALA 82 2HB ALA 82 -5.591 6.036 8.719 655 3HB ALA 82 3HB ALA 82 -5.162 6.048 7.009 656 H ILE 83 H ILE 83 -7.510 5.995 5.315 657 HA ILE 83 HA ILE 83 -6.713 3.722 3.635 658 HB ILE 83 HB ILE 83 -9.064 5.186 2.654 659 1HG1 ILE 83 2HG1 ILE 83 -9.539 5.019 5.110 660 2HG1 ILE 83 1HG1 ILE 83 -10.679 4.136 4.098 661 1HG2 ILE 83 1HG2 ILE 83 -7.749 2.820 2.112 662 2HG2 ILE 83 2HG2 ILE 83 -9.311 3.319 1.464 663 3HG2 ILE 83 3HG2 ILE 83 -9.238 2.301 2.902 664 1HD1 ILE 83 1HD1 ILE 83 -10.159 2.790 5.989 665 2HD1 ILE 83 2HD1 ILE 83 -8.427 2.998 5.730 666 3HD1 ILE 83 3HD1 ILE 83 -9.384 2.064 4.579 667 H LEU 84 H LEU 84 -5.394 4.317 2.063 668 HA LEU 84 HA LEU 84 -5.355 7.147 1.247 669 1HB LEU 84 2HB LEU 84 -3.259 6.807 2.135 670 2HB LEU 84 1HB LEU 84 -3.215 5.119 1.667 671 HG LEU 84 HG LEU 84 -3.108 6.172 -0.770 672 1HD1 LEU 84 1HD1 LEU 84 -1.304 8.163 0.104 673 2HD1 LEU 84 2HD1 LEU 84 -2.841 8.438 0.925 674 3HD1 LEU 84 3HD1 LEU 84 -2.784 8.359 -0.837 675 1HD2 LEU 84 1HD2 LEU 84 -1.206 5.038 -0.630 676 2HD2 LEU 84 2HD2 LEU 84 -1.232 5.153 1.129 677 3HD2 LEU 84 3HD2 LEU 84 -0.461 6.420 0.174 678 H LEU 85 H LEU 85 -6.919 6.902 -0.387 679 HA LEU 85 HA LEU 85 -6.380 4.995 -2.527 680 1HB LEU 85 2HB LEU 85 -8.709 6.238 -1.444 681 2HB LEU 85 1HB LEU 85 -8.590 6.669 -3.139 682 HG LEU 85 HG LEU 85 -8.327 4.181 -3.611 683 1HD1 LEU 85 1HD1 LEU 85 -7.762 3.348 -1.461 684 2HD1 LEU 85 2HD1 LEU 85 -9.367 2.730 -1.850 685 3HD1 LEU 85 3HD1 LEU 85 -9.190 4.080 -0.730 686 1HD2 LEU 85 1HD2 LEU 85 -10.573 5.809 -3.293 687 2HD2 LEU 85 2HD2 LEU 85 -10.988 4.281 -2.517 688 3HD2 LEU 85 3HD2 LEU 85 -10.466 4.300 -4.200 689 H PHE 86 H PHE 86 -5.328 5.523 -4.318 690 HA PHE 86 HA PHE 86 -5.649 8.061 -5.590 691 1HB PHE 86 2HB PHE 86 -3.641 9.107 -5.193 692 2HB PHE 86 1HB PHE 86 -3.894 8.323 -3.639 693 HD1 PHE 86 1HD PHE 86 -2.791 5.998 -3.335 694 HD2 PHE 86 2HD PHE 86 -1.664 8.793 -6.341 695 HE1 PHE 86 1HE PHE 86 -0.609 4.880 -3.550 696 HE2 PHE 86 2HE PHE 86 0.519 7.680 -6.562 697 HZ PHE 86 HZ PHE 86 1.049 5.721 -5.166 698 H LYS 87 H LYS 87 -5.428 7.821 -7.716 699 HA LYS 87 HA LYS 87 -4.105 5.391 -8.713 700 1HB LYS 87 2HB LYS 87 -5.712 7.030 -10.570 701 2HB LYS 87 1HB LYS 87 -5.640 5.286 -10.382 702 1HG LYS 87 2HG LYS 87 -7.098 5.392 -8.463 703 2HG LYS 87 1HG LYS 87 -7.104 7.156 -8.536 704 1HD LYS 87 2HD LYS 87 -9.133 6.127 -9.529 705 2HD LYS 87 1HD LYS 87 -8.220 7.114 -10.672 706 1HE LYS 87 2HE LYS 87 -7.495 4.257 -10.576 707 2HE LYS 87 1HE LYS 87 -9.105 4.616 -11.199 708 1HZ LYS 87 1HZ LYS 87 -7.313 6.410 -12.368 709 2HZ LYS 87 2HZ LYS 87 -8.182 5.168 -13.118 710 3HZ LYS 87 3HZ LYS 87 -6.635 4.867 -12.504 711 H SER 88 H SER 88 -2.941 5.585 -10.781 712 HA SER 88 HA SER 88 -1.639 8.211 -11.045 713 1HB SER 88 2HB SER 88 -0.505 5.520 -10.732 714 2HB SER 88 1HB SER 88 0.202 6.454 -12.050 715 HG SER 88 HG SER 88 0.162 8.170 -10.201 716 H GLY 89 H GLY 89 -3.925 6.820 -12.405 717 1HA GLY 89 2HA GLY 89 -3.689 7.879 -14.943 718 2HA GLY 89 1HA GLY 89 -3.099 6.229 -15.073 719 1H MET 1 1HT MET 1 26.546 0.455 10.550 720 2H MET 1 2HT MET 1 26.711 -1.076 11.307 721 3H MET 1 3HT MET 1 27.373 0.325 12.045 722 HA MET 1 HA MET 1 25.483 -0.051 13.227 723 1HB MET 1 2HB MET 1 25.158 1.963 11.027 724 2HB MET 1 1HB MET 1 23.866 1.733 12.198 725 1HG MET 1 2HG MET 1 25.819 2.028 13.926 726 2HG MET 1 1HG MET 1 26.594 2.850 12.573 727 1HE MET 1 1HE MET 1 26.901 4.540 14.147 728 2HE MET 1 2HE MET 1 25.669 5.124 15.267 729 3HE MET 1 3HE MET 1 25.998 6.009 13.778 730 H CYS 2 H CYS 2 25.272 -2.359 12.143 731 HA CYS 2 HA CYS 2 23.997 -3.901 10.965 732 1HB CYS 2 2HB CYS 2 21.556 -2.848 12.229 733 2HB CYS 2 1HB CYS 2 22.295 -4.440 12.357 734 HG CYS 2 HG CYS 2 23.991 -3.240 14.110 735 H ASP 3 H ASP 3 24.252 -2.818 8.864 736 HA ASP 3 HA ASP 3 22.443 -0.953 7.836 737 1HB ASP 3 2HB ASP 3 23.811 -3.136 6.253 738 2HB ASP 3 1HB ASP 3 23.243 -1.583 5.651 739 H ARG 4 H ARG 4 20.501 -1.117 6.773 740 HA ARG 4 HA ARG 4 18.463 -1.966 6.219 741 1HB ARG 4 2HB ARG 4 19.959 -3.365 4.723 742 2HB ARG 4 1HB ARG 4 19.851 -4.631 5.938 743 1HG ARG 4 2HG ARG 4 17.799 -5.239 5.294 744 2HG ARG 4 1HG ARG 4 17.260 -3.569 5.102 745 1HD ARG 4 2HD ARG 4 17.400 -3.819 2.901 746 2HD ARG 4 1HD ARG 4 19.142 -4.030 3.069 747 HE ARG 4 HE ARG 4 17.820 -6.465 3.604 748 1HH1 ARG 4 1HH1 ARG 4 18.634 -4.337 0.972 749 2HH1 ARG 4 2HH1 ARG 4 18.682 -5.603 -0.209 750 1HH2 ARG 4 1HH2 ARG 4 17.877 -8.139 2.059 751 2HH2 ARG 4 2HH2 ARG 4 18.251 -7.766 0.409 752 H LYS 5 H LYS 5 17.622 -1.647 8.316 753 HA LYS 5 HA LYS 5 17.496 -4.063 9.984 754 1HB LYS 5 2HB LYS 5 18.446 -1.725 10.803 755 2HB LYS 5 1HB LYS 5 16.740 -1.393 11.071 756 1HG LYS 5 2HG LYS 5 17.776 -3.956 12.116 757 2HG LYS 5 1HG LYS 5 18.321 -2.483 12.919 758 1HD LYS 5 2HD LYS 5 15.445 -3.259 12.439 759 2HD LYS 5 1HD LYS 5 16.306 -3.413 13.971 760 1HE LYS 5 2HE LYS 5 16.463 -0.741 12.804 761 2HE LYS 5 1HE LYS 5 14.817 -1.247 13.179 762 1HZ LYS 5 1HZ LYS 5 16.249 -0.086 14.976 763 2HZ LYS 5 2HZ LYS 5 16.938 -1.617 15.182 764 3HZ LYS 5 3HZ LYS 5 15.276 -1.400 15.410 765 H ALA 6 H ALA 6 15.799 -3.830 7.773 766 HA ALA 6 HA ALA 6 13.194 -3.301 9.038 767 1HB ALA 6 1HB ALA 6 14.025 -3.098 6.154 768 2HB ALA 6 2HB ALA 6 13.454 -1.808 7.213 769 3HB ALA 6 3HB ALA 6 12.343 -3.072 6.683 770 H VAL 7 H VAL 7 11.510 -4.562 7.364 771 HA VAL 7 HA VAL 7 12.402 -7.350 7.181 772 HB VAL 7 HB VAL 7 9.775 -6.558 8.441 773 1HG1 VAL 7 1HG1 VAL 7 9.788 -8.985 9.112 774 2HG1 VAL 7 2HG1 VAL 7 11.145 -9.203 8.006 775 3HG1 VAL 7 3HG1 VAL 7 9.580 -8.676 7.388 776 1HG2 VAL 7 1HG2 VAL 7 11.050 -6.068 10.230 777 2HG2 VAL 7 2HG2 VAL 7 12.449 -6.937 9.598 778 3HG2 VAL 7 3HG2 VAL 7 11.153 -7.819 10.406 779 H ILE 8 H ILE 8 12.412 -6.349 4.908 780 HA ILE 8 HA ILE 8 10.347 -5.528 3.412 781 HB ILE 8 HB ILE 8 12.669 -7.256 2.826 782 1HG1 ILE 8 2HG1 ILE 8 12.579 -5.527 0.816 783 2HG1 ILE 8 1HG1 ILE 8 11.477 -4.686 1.900 784 1HG2 ILE 8 1HG2 ILE 8 11.299 -8.641 1.573 785 2HG2 ILE 8 2HG2 ILE 8 11.816 -7.444 0.385 786 3HG2 ILE 8 3HG2 ILE 8 10.214 -7.327 1.115 787 1HD1 ILE 8 1HD1 ILE 8 13.629 -3.786 2.257 788 2HD1 ILE 8 2HD1 ILE 8 14.356 -5.389 2.379 789 3HD1 ILE 8 3HD1 ILE 8 13.275 -4.812 3.648 790 H LYS 9 H LYS 9 8.798 -6.562 2.020 791 HA LYS 9 HA LYS 9 7.988 -9.275 2.603 792 1HB LYS 9 2HB LYS 9 5.934 -7.128 3.068 793 2HB LYS 9 1HB LYS 9 5.876 -8.824 3.531 794 1HG LYS 9 2HG LYS 9 8.116 -7.527 4.776 795 2HG LYS 9 1HG LYS 9 6.623 -6.649 5.115 796 1HD LYS 9 2HD LYS 9 5.610 -8.548 6.084 797 2HD LYS 9 1HD LYS 9 6.841 -9.632 5.435 798 1HE LYS 9 2HE LYS 9 7.708 -9.479 7.507 799 2HE LYS 9 1HE LYS 9 8.381 -7.968 6.900 800 1HZ LYS 9 1HZ LYS 9 7.378 -7.389 8.896 801 2HZ LYS 9 2HZ LYS 9 6.024 -8.368 8.632 802 3HZ LYS 9 3HZ LYS 9 6.220 -6.940 7.747 803 H ASN 10 H ASN 10 8.175 -6.545 0.685 804 HA ASN 10 HA ASN 10 7.194 -7.902 -1.618 805 1HB ASN 10 2HB ASN 10 5.173 -6.741 -0.216 806 2HB ASN 10 1HB ASN 10 5.642 -5.413 -1.273 807 1HD2 ASN 10 1HD2 ASN 10 6.506 -8.110 -2.865 808 2HD2 ASN 10 2HD2 ASN 10 5.085 -8.376 -3.809 809 H ALA 11 H ALA 11 9.040 -7.398 -2.687 810 HA ALA 11 HA ALA 11 9.544 -4.535 -3.149 811 1HB ALA 11 1HB ALA 11 11.263 -6.383 -1.860 812 2HB ALA 11 2HB ALA 11 11.565 -4.692 -2.257 813 3HB ALA 11 3HB ALA 11 11.986 -5.958 -3.411 814 H ASP 12 H ASP 12 9.914 -3.923 -5.191 815 HA ASP 12 HA ASP 12 10.312 -5.979 -7.242 816 1HB ASP 12 2HB ASP 12 7.935 -5.395 -7.276 817 2HB ASP 12 1HB ASP 12 8.340 -3.685 -7.393 818 H MET 13 H MET 13 12.082 -4.121 -5.871 819 HA MET 13 HA MET 13 12.995 -2.545 -8.185 820 1HB MET 13 2HB MET 13 12.218 -0.990 -6.551 821 2HB MET 13 1HB MET 13 13.023 -1.856 -5.249 822 1HG MET 13 2HG MET 13 15.110 -1.054 -5.827 823 2HG MET 13 1HG MET 13 14.619 -0.671 -7.476 824 1HE MET 13 1HE MET 13 13.575 -0.028 -3.858 825 2HE MET 13 2HE MET 13 12.081 0.533 -4.608 826 3HE MET 13 3HE MET 13 13.153 1.683 -3.810 827 H SER 14 H SER 14 15.266 -2.362 -8.467 828 HA SER 14 HA SER 14 16.800 -4.555 -8.367 829 1HB SER 14 2HB SER 14 17.480 -1.656 -8.234 830 2HB SER 14 1HB SER 14 18.780 -2.813 -7.942 831 HG SER 14 HG SER 14 17.422 -3.649 -10.055 832 H GLU 15 H GLU 15 18.124 -5.652 -6.970 833 HA GLU 15 HA GLU 15 17.497 -5.887 -4.322 834 1HB GLU 15 2HB GLU 15 20.007 -6.497 -5.843 835 2HB GLU 15 1HB GLU 15 19.952 -6.750 -4.104 836 1HG GLU 15 2HG GLU 15 18.400 -8.447 -4.263 837 2HG GLU 15 1HG GLU 15 17.826 -7.915 -5.842 838 H GLU 16 H GLU 16 20.517 -4.324 -5.399 839 HA GLU 16 HA GLU 16 21.235 -3.196 -2.991 840 1HB GLU 16 2HB GLU 16 21.713 -1.575 -5.441 841 2HB GLU 16 1HB GLU 16 22.827 -2.024 -4.157 842 1HG GLU 16 2HG GLU 16 23.605 -3.718 -5.347 843 2HG GLU 16 1HG GLU 16 21.981 -4.364 -5.581 844 H MET 17 H MET 17 18.841 -2.122 -5.287 845 HA MET 17 HA MET 17 18.520 0.501 -4.240 846 1HB MET 17 2HB MET 17 17.073 -1.242 -6.151 847 2HB MET 17 1HB MET 17 16.132 0.035 -5.393 848 1HG MET 17 2HG MET 17 18.630 1.096 -6.290 849 2HG MET 17 1HG MET 17 17.849 0.222 -7.606 850 1HE MET 17 1HE MET 17 17.572 3.210 -5.067 851 2HE MET 17 2HE MET 17 16.250 2.151 -4.582 852 3HE MET 17 3HE MET 17 15.901 3.719 -5.310 853 H GLN 18 H GLN 18 16.923 -2.604 -3.623 854 HA GLN 18 HA GLN 18 14.933 -1.571 -1.890 855 1HB GLN 18 2HB GLN 18 15.434 -4.201 -1.075 856 2HB GLN 18 1HB GLN 18 14.196 -3.654 -2.195 857 1HG GLN 18 2HG GLN 18 16.367 -3.787 -3.818 858 2HG GLN 18 1HG GLN 18 16.683 -5.106 -2.694 859 1HE2 GLN 18 1HE2 GLN 18 13.467 -4.063 -3.492 860 2HE2 GLN 18 2HE2 GLN 18 13.021 -5.457 -4.408 861 H GLN 19 H GLN 19 18.263 -2.463 -1.453 862 HA GLN 19 HA GLN 19 18.142 -2.558 1.415 863 1HB GLN 19 2HB GLN 19 20.413 -3.061 1.357 864 2HB GLN 19 1HB GLN 19 19.865 -3.689 -0.191 865 1HG GLN 19 2HG GLN 19 20.875 -1.993 -1.386 866 2HG GLN 19 1HG GLN 19 20.929 -0.907 0.001 867 1HE2 GLN 19 1HE2 GLN 19 22.300 -1.792 1.859 868 2HE2 GLN 19 2HE2 GLN 19 23.826 -2.469 1.413 869 H ASP 20 H ASP 20 19.154 -0.257 -1.049 870 HA ASP 20 HA ASP 20 20.007 1.743 0.778 871 1HB ASP 20 2HB ASP 20 19.774 1.444 -2.104 872 2HB ASP 20 1HB ASP 20 19.271 3.048 -1.578 873 H SER 21 H SER 21 16.980 0.735 -0.504 874 HA SER 21 HA SER 21 15.520 3.133 -0.022 875 1HB SER 21 2HB SER 21 13.934 2.009 -1.139 876 2HB SER 21 1HB SER 21 14.996 0.602 -1.175 877 HG SER 21 HG SER 21 13.486 -0.265 0.005 878 H VAL 22 H VAL 22 15.791 0.043 1.732 879 HA VAL 22 HA VAL 22 14.198 0.724 3.921 880 HB VAL 22 HB VAL 22 16.636 -1.059 3.942 881 1HG1 VAL 22 1HG1 VAL 22 14.427 -0.563 5.880 882 2HG1 VAL 22 2HG1 VAL 22 16.153 -0.781 6.171 883 3HG1 VAL 22 3HG1 VAL 22 15.143 -2.171 5.774 884 1HG2 VAL 22 1HG2 VAL 22 15.451 -2.707 2.981 885 2HG2 VAL 22 2HG2 VAL 22 14.450 -1.392 2.368 886 3HG2 VAL 22 3HG2 VAL 22 13.965 -2.264 3.822 887 H GLU 23 H GLU 23 17.653 1.218 3.335 888 HA GLU 23 HA GLU 23 18.308 2.267 5.861 889 1HB GLU 23 2HB GLU 23 19.533 2.735 3.137 890 2HB GLU 23 1HB GLU 23 20.234 3.336 4.633 891 1HG GLU 23 2HG GLU 23 19.963 0.752 5.280 892 2HG GLU 23 1HG GLU 23 20.162 0.602 3.534 893 H CYS 24 H CYS 24 17.060 3.743 2.923 894 HA CYS 24 HA CYS 24 17.271 6.436 3.769 895 1HB CYS 24 2HB CYS 24 15.530 5.064 1.718 896 2HB CYS 24 1HB CYS 24 15.454 6.799 2.005 897 HG CYS 24 HG CYS 24 17.553 5.374 0.379 898 H ALA 25 H ALA 25 14.821 3.945 4.171 899 HA ALA 25 HA ALA 25 12.843 5.668 5.306 900 1HB ALA 25 1HB ALA 25 13.229 2.689 5.213 901 2HB ALA 25 2HB ALA 25 11.966 3.665 4.465 902 3HB ALA 25 3HB ALA 25 11.966 3.408 6.210 903 H THR 26 H THR 26 15.541 3.791 6.386 904 HA THR 26 HA THR 26 15.088 3.941 9.176 905 HB THR 26 HB THR 26 17.828 3.805 7.960 906 HG1 THR 26 1HG THR 26 16.805 1.366 8.105 907 1HG2 THR 26 1HG2 THR 26 17.271 1.722 9.787 908 2HG2 THR 26 2HG2 THR 26 16.740 3.245 10.502 909 3HG2 THR 26 3HG2 THR 26 18.405 3.065 9.947 910 H GLN 27 H GLN 27 16.831 5.917 6.834 911 HA GLN 27 HA GLN 27 18.075 7.705 8.574 912 1HB GLN 27 2HB GLN 27 16.916 8.328 5.851 913 2HB GLN 27 1HB GLN 27 18.161 9.248 6.687 914 1HG GLN 27 2HG GLN 27 19.436 6.960 6.652 915 2HG GLN 27 1HG GLN 27 18.347 6.621 5.307 916 1HE2 GLN 27 1HE2 GLN 27 19.826 9.674 6.279 917 2HE2 GLN 27 2HE2 GLN 27 20.709 9.920 4.815 918 H ALA 28 H ALA 28 14.863 7.754 7.112 919 HA ALA 28 HA ALA 28 14.095 10.178 8.478 920 1HB ALA 28 1HB ALA 28 12.011 9.974 7.368 921 2HB ALA 28 2HB ALA 28 12.267 8.257 7.054 922 3HB ALA 28 3HB ALA 28 13.240 9.463 6.211 923 H LEU 29 H LEU 29 14.229 6.876 9.233 924 HA LEU 29 HA LEU 29 12.044 6.866 11.113 925 1HB LEU 29 2HB LEU 29 14.159 4.897 10.340 926 2HB LEU 29 1HB LEU 29 13.154 4.630 11.755 927 HG LEU 29 HG LEU 29 11.769 5.261 9.209 928 1HD1 LEU 29 1HD1 LEU 29 12.798 2.498 9.763 929 2HD1 LEU 29 2HD1 LEU 29 13.616 3.629 8.684 930 3HD1 LEU 29 3HD1 LEU 29 11.975 3.092 8.321 931 1HD2 LEU 29 1HD2 LEU 29 10.308 4.922 10.981 932 2HD2 LEU 29 2HD2 LEU 29 11.278 3.617 11.663 933 3HD2 LEU 29 3HD2 LEU 29 10.341 3.343 10.195 934 H GLU 30 H GLU 30 15.540 7.193 11.188 935 HA GLU 30 HA GLU 30 15.607 7.213 14.088 936 1HB GLU 30 2HB GLU 30 18.047 7.560 13.777 937 2HB GLU 30 1HB GLU 30 17.440 6.124 12.966 938 1HG GLU 30 2HG GLU 30 18.467 6.850 11.149 939 2HG GLU 30 1HG GLU 30 17.235 8.106 11.054 940 H LYS 31 H LYS 31 15.671 9.473 11.431 941 HA LYS 31 HA LYS 31 16.447 11.704 13.103 942 1HB LYS 31 2HB LYS 31 15.892 11.290 10.210 943 2HB LYS 31 1HB LYS 31 15.670 12.912 10.852 944 1HG LYS 31 2HG LYS 31 17.845 13.262 10.669 945 2HG LYS 31 1HG LYS 31 18.141 11.965 11.831 946 1HD LYS 31 2HD LYS 31 18.454 10.372 10.160 947 2HD LYS 31 1HD LYS 31 17.627 11.348 8.944 948 1HE LYS 31 2HE LYS 31 19.549 13.013 9.252 949 2HE LYS 31 1HE LYS 31 20.384 11.700 10.080 950 1HZ LYS 31 1HZ LYS 31 20.378 12.151 7.396 951 2HZ LYS 31 2HZ LYS 31 19.266 10.889 7.572 952 3HZ LYS 31 3HZ LYS 31 20.844 10.713 8.155 953 H TYR 32 H TYR 32 13.623 10.028 12.495 954 HA TYR 32 HA TYR 32 12.055 12.103 13.771 955 1HB TYR 32 2HB TYR 32 10.844 10.910 11.309 956 2HB TYR 32 1HB TYR 32 10.477 12.438 12.106 957 HD1 TYR 32 1HD TYR 32 13.201 10.747 10.198 958 HD2 TYR 32 2HD TYR 32 11.288 14.413 11.194 959 HE1 TYR 32 1HE TYR 32 14.623 11.920 8.573 960 HE2 TYR 32 2HE TYR 32 12.705 15.598 9.571 961 HH TYR 32 HH TYR 32 13.997 15.063 7.518 962 H ASN 33 H ASN 33 9.567 10.752 12.937 963 HA ASN 33 HA ASN 33 9.519 8.048 13.544 964 1HB ASN 33 2HB ASN 33 10.098 9.575 15.840 965 2HB ASN 33 1HB ASN 33 8.414 9.083 15.996 966 1HD2 ASN 33 1HD2 ASN 33 10.414 7.074 14.100 967 2HD2 ASN 33 2HD2 ASN 33 10.632 5.809 15.256 968 H ILE 34 H ILE 34 8.238 10.187 12.013 969 HA ILE 34 HA ILE 34 5.434 9.717 12.797 970 HB ILE 34 HB ILE 34 6.210 11.973 10.999 971 1HG1 ILE 34 2HG1 ILE 34 7.639 12.070 13.075 972 2HG1 ILE 34 1HG1 ILE 34 6.594 13.465 12.820 973 1HG2 ILE 34 1HG2 ILE 34 3.830 11.002 12.192 974 2HG2 ILE 34 2HG2 ILE 34 4.037 12.378 11.108 975 3HG2 ILE 34 3HG2 ILE 34 4.165 12.603 12.852 976 1HD1 ILE 34 1HD1 ILE 34 5.101 12.764 14.503 977 2HD1 ILE 34 2HD1 ILE 34 6.727 12.601 15.167 978 3HD1 ILE 34 3HD1 ILE 34 5.853 11.174 14.607 979 H GLU 35 H GLU 35 4.737 8.076 11.556 980 HA GLU 35 HA GLU 35 5.573 6.945 9.326 981 1HB GLU 35 2HB GLU 35 2.676 7.724 9.363 982 2HB GLU 35 1HB GLU 35 3.404 6.206 8.858 983 1HG GLU 35 2HG GLU 35 2.557 5.536 10.841 984 2HG GLU 35 1HG GLU 35 4.113 6.138 11.413 985 H LYS 36 H LYS 36 3.292 9.679 9.063 986 HA LYS 36 HA LYS 36 3.546 10.085 6.329 987 1HB LYS 36 2HB LYS 36 3.094 12.614 7.261 988 2HB LYS 36 1HB LYS 36 1.849 11.398 7.012 989 1HG LYS 36 2HG LYS 36 1.739 10.871 9.280 990 2HG LYS 36 1HG LYS 36 3.303 11.612 9.622 991 1HD LYS 36 2HD LYS 36 0.830 13.114 8.771 992 2HD LYS 36 1HD LYS 36 1.393 12.957 10.437 993 1HE LYS 36 2HE LYS 36 3.584 13.835 8.876 994 2HE LYS 36 1HE LYS 36 2.195 14.831 8.442 995 1HZ LYS 36 1HZ LYS 36 3.407 14.462 11.117 996 2HZ LYS 36 2HZ LYS 36 1.868 15.132 10.909 997 3HZ LYS 36 3HZ LYS 36 3.221 15.898 10.243 998 H ASP 37 H ASP 37 5.289 11.749 8.963 999 HA ASP 37 HA ASP 37 6.879 13.406 7.410 1000 1HB ASP 37 2HB ASP 37 7.060 12.268 10.142 1001 2HB ASP 37 1HB ASP 37 8.555 12.899 9.460 1002 H ILE 38 H ILE 38 7.887 10.290 8.824 1003 HA ILE 38 HA ILE 38 10.324 9.985 7.645 1004 HB ILE 38 HB ILE 38 8.429 7.656 7.790 1005 1HG1 ILE 38 2HG1 ILE 38 9.986 8.419 10.204 1006 2HG1 ILE 38 1HG1 ILE 38 8.551 9.376 9.850 1007 1HG2 ILE 38 1HG2 ILE 38 11.346 7.844 8.513 1008 2HG2 ILE 38 2HG2 ILE 38 10.766 7.409 6.906 1009 3HG2 ILE 38 3HG2 ILE 38 10.379 6.387 8.290 1010 1HD1 ILE 38 1HD1 ILE 38 7.270 7.224 9.747 1011 2HD1 ILE 38 2HD1 ILE 38 7.902 7.658 11.336 1012 3HD1 ILE 38 3HD1 ILE 38 8.713 6.423 10.372 1013 H ALA 39 H ALA 39 7.198 9.028 6.244 1014 HA ALA 39 HA ALA 39 8.216 8.031 3.822 1015 1HB ALA 39 1HB ALA 39 6.045 7.373 4.191 1016 2HB ALA 39 2HB ALA 39 5.806 8.671 3.023 1017 3HB ALA 39 3HB ALA 39 5.540 8.971 4.740 1018 H ALA 40 H ALA 40 7.352 11.265 4.862 1019 HA ALA 40 HA ALA 40 7.323 12.528 2.352 1020 1HB ALA 40 1HB ALA 40 7.728 14.612 3.640 1021 2HB ALA 40 2HB ALA 40 7.985 13.627 5.080 1022 3HB ALA 40 3HB ALA 40 6.412 13.630 4.284 1023 H HIS 41 H HIS 41 9.912 12.639 4.806 1024 HA HIS 41 HA HIS 41 11.856 13.819 3.228 1025 1HB HIS 41 2HB HIS 41 12.933 11.802 5.058 1026 2HB HIS 41 1HB HIS 41 13.185 13.544 5.027 1027 HD1 HIS 41 1HD HIS 41 12.200 11.267 7.361 1028 HD2 HIS 41 2HD HIS 41 10.310 14.656 5.874 1029 HE1 HIS 41 1HE HIS 41 10.536 11.939 9.124 1030 HE2 HIS 41 2HE HIS 41 9.349 13.945 8.167 1031 H ILE 42 H ILE 42 11.413 10.336 3.851 1032 HA ILE 42 HA ILE 42 13.415 9.268 2.357 1033 HB ILE 42 HB ILE 42 10.574 8.238 2.423 1034 1HG1 ILE 42 2HG1 ILE 42 12.905 7.456 4.181 1035 2HG1 ILE 42 1HG1 ILE 42 11.700 8.651 4.651 1036 1HG2 ILE 42 1HG2 ILE 42 12.744 7.345 0.917 1037 2HG2 ILE 42 2HG2 ILE 42 11.242 6.478 1.242 1038 3HG2 ILE 42 3HG2 ILE 42 12.644 6.238 2.286 1039 1HD1 ILE 42 1HD1 ILE 42 11.371 5.706 4.258 1040 2HD1 ILE 42 2HD1 ILE 42 9.986 6.797 4.210 1041 3HD1 ILE 42 3HD1 ILE 42 10.979 6.695 5.665 1042 H LYS 43 H LYS 43 10.133 9.658 1.001 1043 HA LYS 43 HA LYS 43 10.634 9.143 -1.615 1044 1HB LYS 43 2HB LYS 43 8.399 9.574 -1.092 1045 2HB LYS 43 1HB LYS 43 8.773 11.103 -0.310 1046 1HG LYS 43 2HG LYS 43 9.114 12.181 -2.401 1047 2HG LYS 43 1HG LYS 43 9.051 10.648 -3.270 1048 1HD LYS 43 2HD LYS 43 6.822 10.700 -3.380 1049 2HD LYS 43 1HD LYS 43 6.675 11.091 -1.665 1050 1HE LYS 43 2HE LYS 43 5.706 12.872 -2.960 1051 2HE LYS 43 1HE LYS 43 7.190 13.452 -2.205 1052 1HZ LYS 43 1HZ LYS 43 6.521 13.302 -4.961 1053 2HZ LYS 43 2HZ LYS 43 7.946 12.446 -4.653 1054 3HZ LYS 43 3HZ LYS 43 7.830 14.076 -4.219 1055 H LYS 44 H LYS 44 10.987 12.334 -0.077 1056 HA LYS 44 HA LYS 44 11.862 13.752 -2.297 1057 1HB LYS 44 2HB LYS 44 12.292 14.073 0.650 1058 2HB LYS 44 1HB LYS 44 13.118 15.141 -0.476 1059 1HG LYS 44 2HG LYS 44 11.108 16.054 -1.261 1060 2HG LYS 44 1HG LYS 44 10.146 14.750 -0.562 1061 1HD LYS 44 2HD LYS 44 9.764 16.377 0.995 1062 2HD LYS 44 1HD LYS 44 11.217 15.652 1.683 1063 1HE LYS 44 2HE LYS 44 10.789 18.322 0.614 1064 2HE LYS 44 1HE LYS 44 12.058 17.723 1.680 1065 1HZ LYS 44 1HZ LYS 44 13.243 18.293 -0.178 1066 2HZ LYS 44 2HZ LYS 44 12.012 17.861 -1.253 1067 3HZ LYS 44 3HZ LYS 44 12.938 16.660 -0.506 1068 H GLU 45 H GLU 45 13.761 11.954 0.093 1069 HA GLU 45 HA GLU 45 16.284 12.584 -1.039 1070 1HB GLU 45 2HB GLU 45 15.310 10.518 0.908 1071 2HB GLU 45 1HB GLU 45 16.956 10.442 0.292 1072 1HG GLU 45 2HG GLU 45 17.638 12.113 1.593 1073 2HG GLU 45 1HG GLU 45 16.216 13.092 1.236 1074 H PHE 46 H PHE 46 13.972 9.996 -1.580 1075 HA PHE 46 HA PHE 46 15.718 8.387 -3.157 1076 1HB PHE 46 2HB PHE 46 13.002 8.247 -2.196 1077 2HB PHE 46 1HB PHE 46 13.070 7.804 -3.899 1078 HD1 PHE 46 1HD PHE 46 14.637 7.077 -0.614 1079 HD2 PHE 46 2HD PHE 46 13.745 5.678 -4.531 1080 HE1 PHE 46 1HE PHE 46 15.457 4.841 0.003 1081 HE2 PHE 46 2HE PHE 46 14.560 3.438 -3.922 1082 HZ PHE 46 HZ PHE 46 15.418 3.018 -1.653 1083 H ASP 47 H ASP 47 13.494 10.997 -3.820 1084 HA ASP 47 HA ASP 47 13.428 10.641 -6.643 1085 1HB ASP 47 2HB ASP 47 12.684 12.903 -4.804 1086 2HB ASP 47 1HB ASP 47 12.636 13.101 -6.554 1087 H LYS 48 H LYS 48 15.418 12.538 -4.437 1088 HA LYS 48 HA LYS 48 16.875 13.725 -6.654 1089 1HB LYS 48 2HB LYS 48 16.610 14.236 -3.766 1090 2HB LYS 48 1HB LYS 48 18.219 14.514 -4.419 1091 1HG LYS 48 2HG LYS 48 16.267 15.673 -6.159 1092 2HG LYS 48 1HG LYS 48 16.004 16.229 -4.504 1093 1HD LYS 48 2HD LYS 48 17.524 17.744 -5.571 1094 2HD LYS 48 1HD LYS 48 18.430 16.798 -4.386 1095 1HE LYS 48 2HE LYS 48 19.414 17.164 -6.765 1096 2HE LYS 48 1HE LYS 48 19.532 15.577 -6.004 1097 1HZ LYS 48 1HZ LYS 48 17.147 15.491 -7.300 1098 2HZ LYS 48 2HZ LYS 48 18.595 14.821 -7.859 1099 3HZ LYS 48 3HZ LYS 48 18.125 16.361 -8.374 1100 H LYS 49 H LYS 49 17.195 11.094 -4.435 1101 HA LYS 49 HA LYS 49 20.054 10.844 -4.835 1102 1HB LYS 49 2HB LYS 49 18.658 10.220 -2.714 1103 2HB LYS 49 1HB LYS 49 18.362 8.717 -3.576 1104 1HG LYS 49 2HG LYS 49 21.171 9.613 -3.412 1105 2HG LYS 49 1HG LYS 49 20.417 9.071 -1.911 1106 1HD LYS 49 2HD LYS 49 20.377 6.922 -2.569 1107 2HD LYS 49 1HD LYS 49 19.899 7.337 -4.216 1108 1HE LYS 49 2HE LYS 49 22.389 8.228 -4.321 1109 2HE LYS 49 1HE LYS 49 22.610 7.045 -3.033 1110 1HZ LYS 49 1HZ LYS 49 23.034 6.154 -5.279 1111 2HZ LYS 49 2HZ LYS 49 21.414 6.429 -5.678 1112 3HZ LYS 49 3HZ LYS 49 21.807 5.322 -4.461 1113 H TYR 50 H TYR 50 17.173 9.698 -6.323 1114 HA TYR 50 HA TYR 50 18.805 7.925 -8.005 1115 1HB TYR 50 2HB TYR 50 15.967 7.258 -7.252 1116 2HB TYR 50 1HB TYR 50 17.168 6.217 -8.009 1117 HD1 TYR 50 1HD TYR 50 19.073 5.350 -6.655 1118 HD2 TYR 50 2HD TYR 50 15.838 7.477 -4.890 1119 HE1 TYR 50 1HE TYR 50 19.717 4.484 -4.445 1120 HE2 TYR 50 2HE TYR 50 16.472 6.617 -2.676 1121 HH TYR 50 HH TYR 50 19.193 5.559 -1.822 1122 H ASN 51 H ASN 51 15.422 9.059 -7.907 1123 HA ASN 51 HA ASN 51 15.316 10.915 -9.837 1124 1HB ASN 51 2HB ASN 51 16.437 9.648 -11.491 1125 2HB ASN 51 1HB ASN 51 15.535 8.188 -11.099 1126 1HD2 ASN 51 1HD2 ASN 51 14.494 11.510 -11.741 1127 2HD2 ASN 51 2HD2 ASN 51 13.449 11.112 -13.057 1128 HA PRO 52 HA PRO 52 11.177 10.185 -8.271 1129 1HB PRO 52 2HB PRO 52 10.045 12.327 -9.581 1130 2HB PRO 52 1HB PRO 52 10.872 12.431 -8.024 1131 1HG PRO 52 2HG PRO 52 11.903 13.044 -10.765 1132 2HG PRO 52 1HG PRO 52 12.162 13.924 -9.246 1133 1HD PRO 52 2HD PRO 52 14.042 12.302 -10.260 1134 2HD PRO 52 1HD PRO 52 13.776 12.429 -8.509 1135 H THR 53 H THR 53 8.855 9.320 -10.891 1136 HA THR 53 HA THR 53 9.245 10.759 -8.366 1137 HB THR 53 HB THR 53 6.683 10.065 -9.816 1138 HG1 THR 53 1HG THR 53 8.330 11.821 -10.535 1139 1HG2 THR 53 1HG2 THR 53 6.391 10.326 -7.376 1140 2HG2 THR 53 2HG2 THR 53 5.558 11.558 -8.324 1141 3HG2 THR 53 3HG2 THR 53 7.069 11.948 -7.505 1142 H TRP 54 H TRP 54 9.072 9.761 -6.466 1143 HA TRP 54 HA TRP 54 8.424 6.903 -6.491 1144 1HB TRP 54 2HB TRP 54 9.885 8.561 -4.425 1145 2HB TRP 54 1HB TRP 54 9.596 6.829 -4.315 1146 HD1 TRP 54 HD TRP 54 11.406 9.301 -6.696 1147 HE1 TRP 54 1HE TRP 54 13.479 8.106 -7.638 1148 HE3 TRP 54 3HE TRP 54 10.733 4.709 -4.561 1149 HZ2 TRP 54 2HZ TRP 54 14.677 5.548 -7.493 1150 HZ3 TRP 54 3HZ TRP 54 12.385 2.942 -5.011 1151 HH2 TRP 54 HH TRP 54 14.316 3.354 -6.447 1152 H HIS 55 H HIS 55 7.232 5.998 -4.738 1153 HA HIS 55 HA HIS 55 5.388 7.848 -3.385 1154 1HB HIS 55 2HB HIS 55 4.653 5.204 -4.672 1155 2HB HIS 55 1HB HIS 55 3.565 6.214 -3.728 1156 HD1 HIS 55 1HD HIS 55 1.953 7.178 -5.341 1157 HD2 HIS 55 2HD HIS 55 5.845 7.267 -6.795 1158 HE1 HIS 55 1HE HIS 55 1.821 8.390 -7.541 1159 HE2 HIS 55 2HE HIS 55 4.202 8.518 -8.355 1160 H CYS 56 H CYS 56 6.276 7.714 -1.378 1161 HA CYS 56 HA CYS 56 6.836 5.031 -0.322 1162 1HB CYS 56 2HB CYS 56 7.696 7.500 1.110 1163 2HB CYS 56 1HB CYS 56 8.480 5.927 1.013 1164 HG CYS 56 HG CYS 56 9.705 7.875 -0.398 1165 H ILE 57 H ILE 57 5.691 4.154 1.217 1166 HA ILE 57 HA ILE 57 3.963 5.856 2.895 1167 HB ILE 57 HB ILE 57 3.232 3.060 2.021 1168 1HG1 ILE 57 2HG1 ILE 57 3.149 4.346 0.018 1169 2HG1 ILE 57 1HG1 ILE 57 1.493 4.233 0.600 1170 1HG2 ILE 57 1HG2 ILE 57 2.357 4.279 4.184 1171 2HG2 ILE 57 2HG2 ILE 57 1.273 3.319 3.178 1172 3HG2 ILE 57 3HG2 ILE 57 1.288 5.077 3.030 1173 1HD1 ILE 57 1HD1 ILE 57 1.322 6.432 0.599 1174 2HD1 ILE 57 2HD1 ILE 57 2.956 6.538 -0.057 1175 3HD1 ILE 57 3HD1 ILE 57 2.700 6.571 1.688 1176 H VAL 58 H VAL 58 5.130 5.857 4.743 1177 HA VAL 58 HA VAL 58 6.095 3.275 5.759 1178 HB VAL 58 HB VAL 58 7.912 4.787 5.546 1179 1HG1 VAL 58 1HG1 VAL 58 7.806 7.001 5.823 1180 2HG1 VAL 58 2HG1 VAL 58 6.973 6.860 7.372 1181 3HG1 VAL 58 3HG1 VAL 58 6.059 6.768 5.866 1182 1HG2 VAL 58 1HG2 VAL 58 7.100 3.748 8.038 1183 2HG2 VAL 58 2HG2 VAL 58 7.792 5.341 8.346 1184 3HG2 VAL 58 3HG2 VAL 58 8.736 4.118 7.495 1185 H GLY 59 H GLY 59 5.172 2.394 7.458 1186 1HA GLY 59 2HA GLY 59 3.844 4.089 9.444 1187 2HA GLY 59 1HA GLY 59 2.894 2.833 8.662 1188 H ARG 60 H ARG 60 2.971 0.812 9.468 1189 HA ARG 60 HA ARG 60 5.075 -0.505 10.602 1190 1HB ARG 60 2HB ARG 60 4.618 -0.304 13.013 1191 2HB ARG 60 1HB ARG 60 5.155 1.205 12.290 1192 1HG ARG 60 2HG ARG 60 2.725 1.855 12.144 1193 2HG ARG 60 1HG ARG 60 2.383 0.456 13.165 1194 1HD ARG 60 2HD ARG 60 3.049 1.530 14.998 1195 2HD ARG 60 1HD ARG 60 4.550 2.043 14.230 1196 HE ARG 60 HE ARG 60 2.128 3.518 13.555 1197 1HH1 ARG 60 1HH1 ARG 60 5.102 3.350 15.360 1198 2HH1 ARG 60 2HH1 ARG 60 5.156 5.052 15.681 1199 1HH2 ARG 60 1HH2 ARG 60 2.187 5.761 13.975 1200 2HH2 ARG 60 2HH2 ARG 60 3.499 6.421 14.894 1201 H ASN 61 H ASN 61 1.623 0.107 10.711 1202 HA ASN 61 HA ASN 61 1.156 -2.770 10.575 1203 1HB ASN 61 2HB ASN 61 -0.089 -0.957 12.648 1204 2HB ASN 61 1HB ASN 61 -0.704 -2.560 12.258 1205 1HD2 ASN 61 1HD2 ASN 61 2.200 -0.856 13.322 1206 2HD2 ASN 61 2HD2 ASN 61 2.811 -2.143 14.298 1207 H PHE 62 H PHE 62 0.965 -1.059 8.451 1208 HA PHE 62 HA PHE 62 -1.926 -0.619 8.156 1209 1HB PHE 62 2HB PHE 62 -1.465 1.088 6.581 1210 2HB PHE 62 1HB PHE 62 -0.334 1.353 7.903 1211 HD1 PHE 62 1HD PHE 62 2.043 0.603 7.637 1212 HD2 PHE 62 2HD PHE 62 -0.714 0.688 4.399 1213 HE1 PHE 62 1HE PHE 62 3.917 0.542 6.045 1214 HE2 PHE 62 2HE PHE 62 1.153 0.629 2.801 1215 HZ PHE 62 HZ PHE 62 3.474 0.553 3.621 1216 H GLY 63 H GLY 63 -2.256 -0.553 5.513 1217 1HA GLY 63 2HA GLY 63 -1.128 -3.051 4.444 1218 2HA GLY 63 1HA GLY 63 -2.873 -2.840 4.492 1219 H SER 64 H SER 64 0.050 -2.079 2.857 1220 HA SER 64 HA SER 64 -1.190 -0.078 1.173 1221 1HB SER 64 2HB SER 64 1.154 -0.422 -0.037 1222 2HB SER 64 1HB SER 64 0.997 0.537 1.434 1223 HG SER 64 HG SER 64 1.331 -2.058 2.054 1224 H TYR 65 H TYR 65 -2.274 -0.489 -0.582 1225 HA TYR 65 HA TYR 65 -1.692 -2.932 -2.111 1226 1HB TYR 65 2HB TYR 65 -3.838 -2.992 -0.683 1227 2HB TYR 65 1HB TYR 65 -4.478 -1.821 -1.832 1228 HD1 TYR 65 1HD TYR 65 -5.492 -2.559 -3.789 1229 HD2 TYR 65 2HD TYR 65 -2.933 -5.208 -1.666 1230 HE1 TYR 65 1HE TYR 65 -6.145 -4.386 -5.299 1231 HE2 TYR 65 2HE TYR 65 -3.576 -7.044 -3.170 1232 HH TYR 65 HH TYR 65 -4.935 -6.668 -6.054 1233 H VAL 66 H VAL 66 -0.360 -1.373 -3.319 1234 HA VAL 66 HA VAL 66 -1.990 0.166 -5.233 1235 HB VAL 66 HB VAL 66 -0.094 1.720 -5.487 1236 1HG1 VAL 66 1HG1 VAL 66 -0.275 2.742 -3.157 1237 2HG1 VAL 66 2HG1 VAL 66 -1.313 1.372 -2.765 1238 3HG1 VAL 66 3HG1 VAL 66 -1.778 2.492 -4.045 1239 1HG2 VAL 66 1HG2 VAL 66 1.117 -0.071 -3.417 1240 2HG2 VAL 66 2HG2 VAL 66 1.594 1.624 -3.522 1241 3HG2 VAL 66 3HG2 VAL 66 1.826 0.554 -4.905 1242 H THR 67 H THR 67 -0.897 0.517 -7.343 1243 HA THR 67 HA THR 67 0.151 -1.993 -8.312 1244 HB THR 67 HB THR 67 -1.562 -0.533 -9.509 1245 HG1 THR 67 1HG THR 67 -0.240 -2.258 -10.473 1246 1HG2 THR 67 1HG2 THR 67 0.168 1.486 -9.235 1247 2HG2 THR 67 2HG2 THR 67 -1.030 1.391 -10.525 1248 3HG2 THR 67 3HG2 THR 67 0.635 0.900 -10.830 1249 H HIS 68 H HIS 68 2.228 -2.457 -8.671 1250 HA HIS 68 HA HIS 68 4.184 -0.289 -8.393 1251 1HB HIS 68 2HB HIS 68 5.805 -2.013 -7.820 1252 2HB HIS 68 1HB HIS 68 4.380 -2.163 -6.797 1253 HD1 HIS 68 1HD HIS 68 2.616 -3.751 -8.852 1254 HD2 HIS 68 2HD HIS 68 6.541 -4.656 -7.835 1255 HE1 HIS 68 1HE HIS 68 2.898 -6.194 -9.375 1256 HE2 HIS 68 2HE HIS 68 5.256 -6.739 -8.672 1257 H GLU 69 H GLU 69 5.087 0.454 -10.177 1258 HA GLU 69 HA GLU 69 5.455 -1.385 -12.450 1259 1HB GLU 69 2HB GLU 69 5.351 0.989 -13.706 1260 2HB GLU 69 1HB GLU 69 3.934 -0.017 -13.439 1261 1HG GLU 69 2HG GLU 69 3.670 1.302 -11.251 1262 2HG GLU 69 1HG GLU 69 4.790 2.451 -11.982 1263 H THR 70 H THR 70 7.168 -0.538 -14.009 1264 HA THR 70 HA THR 70 9.280 0.228 -14.455 1265 HB THR 70 HB THR 70 9.161 1.559 -11.742 1266 HG1 THR 70 1HG THR 70 8.187 2.310 -14.254 1267 1HG2 THR 70 1HG2 THR 70 11.408 1.288 -13.021 1268 2HG2 THR 70 2HG2 THR 70 10.968 2.845 -12.316 1269 3HG2 THR 70 3HG2 THR 70 10.755 2.567 -14.045 1270 H LYS 71 H LYS 71 10.166 0.387 -11.133 1271 HA LYS 71 HA LYS 71 10.696 -2.232 -10.466 1272 1HB LYS 71 2HB LYS 71 12.141 -1.867 -12.650 1273 2HB LYS 71 1HB LYS 71 13.265 -1.129 -11.518 1274 1HG LYS 71 2HG LYS 71 13.964 -3.108 -10.810 1275 2HG LYS 71 1HG LYS 71 12.312 -3.658 -10.518 1276 1HD LYS 71 2HD LYS 71 13.398 -5.106 -12.133 1277 2HD LYS 71 1HD LYS 71 12.096 -4.204 -12.910 1278 1HE LYS 71 2HE LYS 71 13.569 -2.826 -14.064 1279 2HE LYS 71 1HE LYS 71 14.903 -3.169 -12.965 1280 1HZ LYS 71 1HZ LYS 71 14.388 -5.599 -13.969 1281 2HZ LYS 71 2HZ LYS 71 15.550 -4.541 -14.594 1282 3HZ LYS 71 3HZ LYS 71 14.016 -4.623 -15.300 1283 H HIS 72 H HIS 72 10.027 0.201 -9.217 1284 HA HIS 72 HA HIS 72 12.172 0.331 -7.225 1285 1HB HIS 72 2HB HIS 72 10.743 2.828 -8.121 1286 2HB HIS 72 1HB HIS 72 12.199 2.694 -7.140 1287 HD1 HIS 72 1HD HIS 72 14.266 3.213 -8.378 1288 HD2 HIS 72 2HD HIS 72 11.306 1.720 -10.884 1289 HE1 HIS 72 1HE HIS 72 15.260 3.248 -10.688 1290 HE2 HIS 72 2HE HIS 72 13.497 2.217 -12.164 1291 H PHE 73 H PHE 73 9.959 -1.196 -6.917 1292 HA PHE 73 HA PHE 73 8.344 0.337 -4.988 1293 1HB PHE 73 2HB PHE 73 6.726 -0.218 -6.535 1294 2HB PHE 73 1HB PHE 73 7.554 -1.688 -7.033 1295 HD1 PHE 73 1HD PHE 73 6.885 -3.760 -6.208 1296 HD2 PHE 73 2HD PHE 73 5.579 -0.212 -4.255 1297 HE1 PHE 73 1HE PHE 73 5.365 -5.095 -4.809 1298 HE2 PHE 73 2HE PHE 73 4.057 -1.540 -2.852 1299 HZ PHE 73 HZ PHE 73 3.948 -3.986 -3.128 1300 H ILE 74 H ILE 74 9.754 -0.171 -3.273 1301 HA ILE 74 HA ILE 74 9.963 -3.021 -2.595 1302 HB ILE 74 HB ILE 74 12.058 -1.591 -2.744 1303 1HG1 ILE 74 2HG1 ILE 74 11.259 -3.275 -0.390 1304 2HG1 ILE 74 1HG1 ILE 74 12.329 -3.675 -1.726 1305 1HG2 ILE 74 1HG2 ILE 74 12.586 -0.121 -0.928 1306 2HG2 ILE 74 2HG2 ILE 74 11.096 -0.541 -0.085 1307 3HG2 ILE 74 3HG2 ILE 74 11.029 0.372 -1.592 1308 1HD1 ILE 74 1HD1 ILE 74 12.920 -1.957 0.664 1309 2HD1 ILE 74 2HD1 ILE 74 13.966 -2.034 -0.755 1310 3HD1 ILE 74 3HD1 ILE 74 13.670 -3.486 0.203 1311 H TYR 75 H TYR 75 9.349 -3.799 -0.610 1312 HA TYR 75 HA TYR 75 7.993 -1.947 1.216 1313 1HB TYR 75 2HB TYR 75 6.403 -3.267 -0.347 1314 2HB TYR 75 1HB TYR 75 6.837 -4.664 0.630 1315 HD1 TYR 75 1HD TYR 75 4.125 -4.286 0.638 1316 HD2 TYR 75 2HD TYR 75 6.968 -2.041 2.874 1317 HE1 TYR 75 1HE TYR 75 2.375 -3.689 2.259 1318 HE2 TYR 75 2HE TYR 75 5.224 -1.440 4.498 1319 HH TYR 75 HH TYR 75 3.073 -2.246 5.273 1320 H PHE 76 H PHE 76 8.514 -2.256 3.296 1321 HA PHE 76 HA PHE 76 9.322 -4.833 4.293 1322 1HB PHE 76 2HB PHE 76 11.537 -3.842 5.154 1323 2HB PHE 76 1HB PHE 76 11.457 -4.330 3.465 1324 HD1 PHE 76 1HD PHE 76 11.339 -2.643 1.691 1325 HD2 PHE 76 2HD PHE 76 11.802 -1.554 5.779 1326 HE1 PHE 76 1HE PHE 76 12.053 -0.391 1.006 1327 HE2 PHE 76 2HE PHE 76 12.516 0.701 5.102 1328 HZ PHE 76 HZ PHE 76 12.642 1.286 2.712 1329 H TYR 77 H TYR 77 9.785 -4.792 6.613 1330 HA TYR 77 HA TYR 77 8.515 -2.498 7.961 1331 1HB TYR 77 2HB TYR 77 6.960 -4.306 8.095 1332 2HB TYR 77 1HB TYR 77 8.228 -5.452 8.520 1333 HD1 TYR 77 1HD TYR 77 5.765 -3.169 9.761 1334 HD2 TYR 77 2HD TYR 77 9.376 -5.174 10.781 1335 HE1 TYR 77 1HE TYR 77 5.294 -2.791 12.145 1336 HE2 TYR 77 2HE TYR 77 8.915 -4.800 13.168 1337 HH TYR 77 HH TYR 77 6.121 -2.906 14.227 1338 H LEU 78 H LEU 78 10.056 -1.427 9.023 1339 HA LEU 78 HA LEU 78 12.521 -2.597 9.806 1340 1HB LEU 78 2HB LEU 78 11.222 0.040 10.458 1341 2HB LEU 78 1HB LEU 78 12.802 -0.409 11.069 1342 HG LEU 78 HG LEU 78 12.783 1.077 9.028 1343 1HD1 LEU 78 1HD1 LEU 78 14.800 0.271 8.405 1344 2HD1 LEU 78 2HD1 LEU 78 14.211 -1.383 8.235 1345 3HD1 LEU 78 3HD1 LEU 78 14.573 -0.736 9.835 1346 1HD2 LEU 78 1HD2 LEU 78 12.413 0.015 6.867 1347 2HD2 LEU 78 2HD2 LEU 78 10.943 -0.012 7.841 1348 3HD2 LEU 78 3HD2 LEU 78 11.917 -1.473 7.672 1349 H GLY 79 H GLY 79 13.333 -2.329 12.127 1350 1HA GLY 79 2HA GLY 79 12.565 -4.106 13.863 1351 2HA GLY 79 1HA GLY 79 12.967 -2.502 14.455 1352 H GLN 80 H GLN 80 10.776 -1.042 13.629 1353 HA GLN 80 HA GLN 80 8.384 -2.399 14.555 1354 1HB GLN 80 2HB GLN 80 9.523 -1.628 16.630 1355 2HB GLN 80 1HB GLN 80 9.435 0.023 16.029 1356 1HG GLN 80 2HG GLN 80 7.037 -0.021 16.097 1357 2HG GLN 80 1HG GLN 80 7.041 -1.731 16.525 1358 1HE2 GLN 80 1HE2 GLN 80 8.873 -1.923 18.465 1359 2HE2 GLN 80 2HE2 GLN 80 8.433 -0.961 19.832 1360 H VAL 81 H VAL 81 9.129 -1.252 12.063 1361 HA VAL 81 HA VAL 81 6.919 0.599 11.743 1362 HB VAL 81 HB VAL 81 9.728 1.378 10.951 1363 1HG1 VAL 81 1HG1 VAL 81 8.049 2.007 9.263 1364 2HG1 VAL 81 2HG1 VAL 81 8.756 3.411 10.061 1365 3HG1 VAL 81 3HG1 VAL 81 7.140 2.863 10.508 1366 1HG2 VAL 81 1HG2 VAL 81 8.105 1.918 13.286 1367 2HG2 VAL 81 2HG2 VAL 81 8.578 3.403 12.460 1368 3HG2 VAL 81 3HG2 VAL 81 9.810 2.260 12.995 1369 H ALA 82 H ALA 82 6.672 1.188 9.353 1370 HA ALA 82 HA ALA 82 7.613 -0.992 7.619 1371 1HB ALA 82 1HB ALA 82 5.082 -0.486 6.673 1372 2HB ALA 82 2HB ALA 82 4.873 -0.422 8.423 1373 3HB ALA 82 3HB ALA 82 5.556 -1.862 7.669 1374 H ILE 83 H ILE 83 7.770 -0.479 5.401 1375 HA ILE 83 HA ILE 83 7.293 2.312 4.652 1376 HB ILE 83 HB ILE 83 9.807 1.249 3.578 1377 1HG1 ILE 83 2HG1 ILE 83 9.821 0.421 5.964 1378 2HG1 ILE 83 1HG1 ILE 83 11.137 1.514 5.549 1379 1HG2 ILE 83 1HG2 ILE 83 10.556 3.542 4.069 1380 2HG2 ILE 83 2HG2 ILE 83 9.010 3.859 4.858 1381 3HG2 ILE 83 3HG2 ILE 83 9.063 3.504 3.131 1382 1HD1 ILE 83 1HD1 ILE 83 8.690 2.099 7.184 1383 2HD1 ILE 83 2HD1 ILE 83 9.752 3.361 6.562 1384 3HD1 ILE 83 3HD1 ILE 83 10.381 2.153 7.682 1385 H LEU 84 H LEU 84 6.468 2.531 2.665 1386 HA LEU 84 HA LEU 84 6.619 0.222 0.838 1387 1HB LEU 84 2HB LEU 84 4.389 0.210 1.439 1388 2HB LEU 84 1HB LEU 84 4.321 1.950 1.633 1389 HG LEU 84 HG LEU 84 4.662 1.929 -0.987 1390 1HD1 LEU 84 1HD1 LEU 84 3.305 -0.010 -1.903 1391 2HD1 LEU 84 2HD1 LEU 84 3.591 -0.804 -0.354 1392 3HD1 LEU 84 3HD1 LEU 84 4.953 -0.369 -1.387 1393 1HD2 LEU 84 1HD2 LEU 84 1.988 1.405 -0.928 1394 2HD2 LEU 84 2HD2 LEU 84 2.725 2.955 -0.517 1395 3HD2 LEU 84 3HD2 LEU 84 2.312 1.809 0.758 1396 H LEU 85 H LEU 85 8.401 1.078 -0.272 1397 HA LEU 85 HA LEU 85 8.123 3.696 -1.524 1398 1HB LEU 85 2HB LEU 85 10.312 2.022 -0.707 1399 2HB LEU 85 1HB LEU 85 10.483 2.429 -2.404 1400 HG LEU 85 HG LEU 85 10.216 4.850 -1.754 1401 1HD1 LEU 85 1HD1 LEU 85 9.296 5.057 0.301 1402 2HD1 LEU 85 2HD1 LEU 85 10.987 5.034 0.798 1403 3HD1 LEU 85 3HD1 LEU 85 10.018 3.564 0.897 1404 1HD2 LEU 85 1HD2 LEU 85 12.444 3.157 -1.659 1405 2HD2 LEU 85 2HD2 LEU 85 12.574 4.201 -0.244 1406 3HD2 LEU 85 3HD2 LEU 85 12.435 4.911 -1.852 1407 H PHE 86 H PHE 86 7.406 3.956 -3.529 1408 HA PHE 86 HA PHE 86 7.997 2.088 -5.624 1409 1HB PHE 86 2HB PHE 86 5.859 1.236 -6.087 1410 2HB PHE 86 1HB PHE 86 6.003 1.099 -4.338 1411 HD1 PHE 86 1HD PHE 86 4.617 2.373 -2.875 1412 HD2 PHE 86 2HD PHE 86 4.421 2.954 -7.085 1413 HE1 PHE 86 1HE PHE 86 2.539 3.659 -2.597 1414 HE2 PHE 86 2HE PHE 86 2.343 4.242 -6.816 1415 HZ PHE 86 HZ PHE 86 1.399 4.597 -4.568 1416 H LYS 87 H LYS 87 8.046 3.099 -7.543 1417 HA LYS 87 HA LYS 87 7.148 5.874 -7.643 1418 1HB LYS 87 2HB LYS 87 8.863 4.272 -9.550 1419 2HB LYS 87 1HB LYS 87 8.469 5.974 -9.739 1420 1HG LYS 87 2HG LYS 87 9.856 6.629 -8.042 1421 2HG LYS 87 1HG LYS 87 9.751 5.075 -7.210 1422 1HD LYS 87 2HD LYS 87 11.951 5.307 -8.154 1423 2HD LYS 87 1HD LYS 87 11.077 4.062 -9.046 1424 1HE LYS 87 2HE LYS 87 10.533 6.505 -10.330 1425 2HE LYS 87 1HE LYS 87 12.266 6.484 -10.007 1426 1HZ LYS 87 1HZ LYS 87 10.679 4.532 -11.564 1427 2HZ LYS 87 2HZ LYS 87 12.240 4.185 -11.013 1428 3HZ LYS 87 3HZ LYS 87 11.989 5.469 -12.085 1429 H SER 88 H SER 88 5.884 6.677 -9.369 1430 HA SER 88 HA SER 88 4.221 4.626 -10.667 1431 1HB SER 88 2HB SER 88 3.398 6.637 -8.967 1432 2HB SER 88 1HB SER 88 3.096 7.325 -10.562 1433 HG SER 88 HG SER 88 1.835 5.526 -11.055 1434 H GLY 89 H GLY 89 6.751 6.031 -11.443 1435 1HA GLY 89 2HA GLY 89 7.505 6.272 -13.690 1436 2HA GLY 89 1HA GLY 89 5.875 6.735 -14.155 Start of MODEL 11 1 1H MET 1 1HT MET 1 -27.352 6.170 10.755 2 2H MET 1 2HT MET 1 -25.903 6.247 9.837 3 3H MET 1 3HT MET 1 -25.995 5.229 11.217 4 HA MET 1 HA MET 1 -27.399 3.753 10.204 5 1HB MET 1 2HB MET 1 -27.693 5.765 7.964 6 2HB MET 1 1HB MET 1 -28.535 4.227 8.105 7 1HG MET 1 2HG MET 1 -29.728 5.014 10.049 8 2HG MET 1 1HG MET 1 -28.823 6.527 10.024 9 1HE MET 1 1HE MET 1 -29.746 6.940 6.098 10 2HE MET 1 2HE MET 1 -28.403 6.923 7.241 11 3HE MET 1 3HE MET 1 -29.494 8.307 7.182 12 H CYS 2 H CYS 2 -24.602 4.106 10.261 13 HA CYS 2 HA CYS 2 -22.685 3.339 9.301 14 1HB CYS 2 2HB CYS 2 -24.799 1.708 7.940 15 2HB CYS 2 1HB CYS 2 -23.124 1.568 7.418 16 HG CYS 2 HG CYS 2 -24.299 0.412 9.972 17 H ASP 3 H ASP 3 -21.575 4.857 8.247 18 HA ASP 3 HA ASP 3 -22.053 5.212 5.401 19 1HB ASP 3 2HB ASP 3 -22.633 7.263 7.436 20 2HB ASP 3 1HB ASP 3 -21.653 7.822 6.083 21 H ARG 4 H ARG 4 -20.371 7.699 5.556 22 HA ARG 4 HA ARG 4 -17.969 6.899 4.747 23 1HB ARG 4 2HB ARG 4 -17.608 9.014 6.733 24 2HB ARG 4 1HB ARG 4 -17.337 9.042 4.996 25 1HG ARG 4 2HG ARG 4 -20.142 9.075 5.965 26 2HG ARG 4 1HG ARG 4 -19.176 10.541 6.147 27 1HD ARG 4 2HD ARG 4 -18.584 10.242 3.679 28 2HD ARG 4 1HD ARG 4 -19.910 9.080 3.628 29 HE ARG 4 HE ARG 4 -20.165 11.858 3.498 30 1HH1 ARG 4 1HH1 ARG 4 -21.579 9.148 5.165 31 2HH1 ARG 4 2HH1 ARG 4 -23.126 9.905 5.356 32 1HH2 ARG 4 1HH2 ARG 4 -22.195 12.866 3.743 33 2HH2 ARG 4 2HH2 ARG 4 -23.475 12.021 4.548 34 H LYS 5 H LYS 5 -18.538 7.550 8.214 35 HA LYS 5 HA LYS 5 -17.479 6.798 10.086 36 1HB LYS 5 2HB LYS 5 -18.607 4.701 9.142 37 2HB LYS 5 1HB LYS 5 -17.009 4.235 8.576 38 1HG LYS 5 2HG LYS 5 -16.869 3.202 10.557 39 2HG LYS 5 1HG LYS 5 -16.478 4.812 11.166 40 1HD LYS 5 2HD LYS 5 -19.028 5.087 11.435 41 2HD LYS 5 1HD LYS 5 -19.083 3.330 11.287 42 1HE LYS 5 2HE LYS 5 -17.480 4.880 13.320 43 2HE LYS 5 1HE LYS 5 -19.003 4.048 13.631 44 1HZ LYS 5 1HZ LYS 5 -17.418 2.537 14.322 45 2HZ LYS 5 2HZ LYS 5 -16.352 2.895 13.059 46 3HZ LYS 5 3HZ LYS 5 -17.754 2.000 12.753 47 H ALA 6 H ALA 6 -15.854 8.205 8.219 48 HA ALA 6 HA ALA 6 -13.241 7.102 8.957 49 1HB ALA 6 1HB ALA 6 -13.607 6.488 6.630 50 2HB ALA 6 2HB ALA 6 -12.322 7.687 6.765 51 3HB ALA 6 3HB ALA 6 -13.929 8.174 6.225 52 H VAL 7 H VAL 7 -11.490 8.826 8.400 53 HA VAL 7 HA VAL 7 -12.484 11.526 8.968 54 HB VAL 7 HB VAL 7 -10.273 10.147 10.500 55 1HG1 VAL 7 1HG1 VAL 7 -11.129 13.014 10.352 56 2HG1 VAL 7 2HG1 VAL 7 -9.505 12.331 10.280 57 3HG1 VAL 7 3HG1 VAL 7 -10.379 12.366 11.811 58 1HG2 VAL 7 1HG2 VAL 7 -12.467 9.498 11.283 59 2HG2 VAL 7 2HG2 VAL 7 -12.971 11.186 11.364 60 3HG2 VAL 7 3HG2 VAL 7 -11.721 10.585 12.454 61 H ILE 8 H ILE 8 -11.979 11.744 6.668 62 HA ILE 8 HA ILE 8 -9.765 11.330 5.264 63 HB ILE 8 HB ILE 8 -11.705 13.525 5.305 64 1HG1 ILE 8 2HG1 ILE 8 -11.529 13.135 2.815 65 2HG1 ILE 8 1HG1 ILE 8 -10.319 11.906 3.168 66 1HG2 ILE 8 1HG2 ILE 8 -10.574 15.247 4.360 67 2HG2 ILE 8 2HG2 ILE 8 -9.400 14.191 3.575 68 3HG2 ILE 8 3HG2 ILE 8 -9.243 14.562 5.292 69 1HD1 ILE 8 1HD1 ILE 8 -13.245 11.859 3.547 70 2HD1 ILE 8 2HD1 ILE 8 -12.264 11.037 4.763 71 3HD1 ILE 8 3HD1 ILE 8 -12.135 10.574 3.067 72 H LYS 9 H LYS 9 -7.719 12.242 4.948 73 HA LYS 9 HA LYS 9 -6.736 13.960 7.127 74 1HB LYS 9 2HB LYS 9 -5.223 11.632 5.935 75 2HB LYS 9 1HB LYS 9 -4.685 12.672 7.246 76 1HG LYS 9 2HG LYS 9 -7.242 11.196 7.580 77 2HG LYS 9 1HG LYS 9 -5.726 10.301 7.704 78 1HD LYS 9 2HD LYS 9 -5.048 11.447 9.585 79 2HD LYS 9 1HD LYS 9 -6.034 12.860 9.206 80 1HE LYS 9 2HE LYS 9 -7.589 12.105 10.597 81 2HE LYS 9 1HE LYS 9 -7.814 10.708 9.546 82 1HZ LYS 9 1HZ LYS 9 -6.193 10.947 11.990 83 2HZ LYS 9 2HZ LYS 9 -5.775 9.799 10.819 84 3HZ LYS 9 3HZ LYS 9 -7.297 9.742 11.551 85 H ASN 10 H ASN 10 -6.978 13.336 3.821 86 HA ASN 10 HA ASN 10 -5.585 15.737 3.139 87 1HB ASN 10 2HB ASN 10 -4.014 13.420 3.232 88 2HB ASN 10 1HB ASN 10 -4.366 13.659 1.524 89 1HD2 ASN 10 1HD2 ASN 10 -2.140 14.090 1.218 90 2HD2 ASN 10 2HD2 ASN 10 -1.478 15.637 1.613 91 H ALA 11 H ALA 11 -5.658 12.987 0.995 92 HA ALA 11 HA ALA 11 -6.945 12.446 -0.803 93 1HB ALA 11 1HB ALA 11 -9.011 14.353 0.274 94 2HB ALA 11 2HB ALA 11 -8.826 12.687 0.824 95 3HB ALA 11 3HB ALA 11 -9.260 13.020 -0.854 96 H ASP 12 H ASP 12 -8.436 13.749 -2.551 97 HA ASP 12 HA ASP 12 -8.052 16.351 -3.226 98 1HB ASP 12 2HB ASP 12 -5.544 15.281 -3.137 99 2HB ASP 12 1HB ASP 12 -5.946 15.064 -4.838 100 H MET 13 H MET 13 -9.693 13.961 -3.606 101 HA MET 13 HA MET 13 -9.881 13.935 -6.546 102 1HB MET 13 2HB MET 13 -9.492 11.717 -5.899 103 2HB MET 13 1HB MET 13 -10.509 11.855 -4.472 104 1HG MET 13 2HG MET 13 -12.477 11.686 -5.716 105 2HG MET 13 1HG MET 13 -11.655 12.043 -7.233 106 1HE MET 13 1HE MET 13 -10.064 8.554 -5.008 107 2HE MET 13 2HE MET 13 -11.759 8.643 -4.526 108 3HE MET 13 3HE MET 13 -10.708 10.043 -4.315 109 H SER 14 H SER 14 -12.220 13.450 -7.281 110 HA SER 14 HA SER 14 -13.841 15.595 -6.754 111 1HB SER 14 2HB SER 14 -15.027 12.910 -7.425 112 2HB SER 14 1HB SER 14 -15.533 14.506 -7.977 113 HG SER 14 HG SER 14 -13.379 14.552 -9.034 114 H GLU 15 H GLU 15 -15.162 16.207 -5.162 115 HA GLU 15 HA GLU 15 -15.212 15.332 -2.646 116 1HB GLU 15 2HB GLU 15 -17.944 15.957 -3.522 117 2HB GLU 15 1HB GLU 15 -16.936 16.753 -2.322 118 1HG GLU 15 2HG GLU 15 -16.112 17.158 -5.111 119 2HG GLU 15 1HG GLU 15 -17.673 17.849 -4.676 120 H GLU 16 H GLU 16 -18.124 14.500 -4.490 121 HA GLU 16 HA GLU 16 -18.965 12.404 -2.956 122 1HB GLU 16 2HB GLU 16 -19.392 13.239 -5.743 123 2HB GLU 16 1HB GLU 16 -19.694 11.533 -5.445 124 1HG GLU 16 2HG GLU 16 -20.877 13.555 -3.608 125 2HG GLU 16 1HG GLU 16 -21.600 13.306 -5.197 126 H MET 17 H MET 17 -16.272 12.481 -5.100 127 HA MET 17 HA MET 17 -16.031 9.642 -5.431 128 1HB MET 17 2HB MET 17 -14.322 12.011 -6.084 129 2HB MET 17 1HB MET 17 -13.599 10.409 -6.093 130 1HG MET 17 2HG MET 17 -16.053 10.314 -7.532 131 2HG MET 17 1HG MET 17 -15.095 11.671 -8.120 132 1HE MET 17 1HE MET 17 -13.494 7.344 -7.962 133 2HE MET 17 2HE MET 17 -15.025 7.860 -7.252 134 3HE MET 17 3HE MET 17 -13.501 8.411 -6.557 135 H GLN 18 H GLN 18 -14.614 12.078 -3.303 136 HA GLN 18 HA GLN 18 -12.770 10.331 -2.037 137 1HB GLN 18 2HB GLN 18 -13.488 12.380 -0.222 138 2HB GLN 18 1HB GLN 18 -12.049 12.281 -1.227 139 1HG GLN 18 2HG GLN 18 -13.864 13.187 -3.017 140 2HG GLN 18 1HG GLN 18 -14.460 13.919 -1.528 141 1HE2 GLN 18 1HE2 GLN 18 -11.109 13.182 -2.228 142 2HE2 GLN 18 2HE2 GLN 18 -10.562 14.819 -2.288 143 H GLN 19 H GLN 19 -16.089 11.280 -1.374 144 HA GLN 19 HA GLN 19 -16.253 9.934 1.142 145 1HB GLN 19 2HB GLN 19 -18.587 10.621 -0.636 146 2HB GLN 19 1HB GLN 19 -18.558 10.493 1.116 147 1HG GLN 19 2HG GLN 19 -16.688 12.484 0.310 148 2HG GLN 19 1HG GLN 19 -18.234 12.791 -0.481 149 1HE2 GLN 19 1HE2 GLN 19 -16.444 13.116 2.340 150 2HE2 GLN 19 2HE2 GLN 19 -17.713 13.633 3.392 151 H ASP 20 H ASP 20 -16.955 9.168 -2.204 152 HA ASP 20 HA ASP 20 -18.265 6.710 -1.723 153 1HB ASP 20 2HB ASP 20 -17.818 8.258 -3.943 154 2HB ASP 20 1HB ASP 20 -16.738 6.896 -4.229 155 H SER 21 H SER 21 -14.910 7.633 -2.253 156 HA SER 21 HA SER 21 -13.804 5.060 -2.448 157 1HB SER 21 2HB SER 21 -11.785 6.123 -2.453 158 2HB SER 21 1HB SER 21 -12.784 7.562 -2.653 159 HG SER 21 HG SER 21 -12.761 7.657 -0.281 160 H VAL 22 H VAL 22 -14.318 7.189 0.348 161 HA VAL 22 HA VAL 22 -13.214 5.611 2.339 162 HB VAL 22 HB VAL 22 -15.739 7.248 2.617 163 1HG1 VAL 22 1HG1 VAL 22 -14.515 5.604 4.450 164 2HG1 VAL 22 2HG1 VAL 22 -15.600 6.942 4.826 165 3HG1 VAL 22 3HG1 VAL 22 -13.855 7.193 4.835 166 1HG2 VAL 22 1HG2 VAL 22 -14.550 9.160 2.603 167 2HG2 VAL 22 2HG2 VAL 22 -13.392 8.213 1.669 168 3HG2 VAL 22 3HG2 VAL 22 -13.162 8.425 3.405 169 H GLU 23 H GLU 23 -16.560 5.605 1.121 170 HA GLU 23 HA GLU 23 -17.594 3.592 2.731 171 1HB GLU 23 2HB GLU 23 -18.269 4.160 -0.164 172 2HB GLU 23 1HB GLU 23 -19.270 3.255 0.962 173 1HG GLU 23 2HG GLU 23 -19.231 5.399 2.385 174 2HG GLU 23 1HG GLU 23 -18.677 6.185 0.907 175 H CYS 24 H CYS 24 -15.964 3.341 -0.404 176 HA CYS 24 HA CYS 24 -16.155 0.564 -0.710 177 1HB CYS 24 2HB CYS 24 -14.254 2.640 -1.761 178 2HB CYS 24 1HB CYS 24 -13.962 0.933 -2.079 179 HG CYS 24 HG CYS 24 -15.357 1.514 -4.054 180 H ALA 25 H ALA 25 -13.858 2.583 1.022 181 HA ALA 25 HA ALA 25 -12.038 0.489 1.675 182 1HB ALA 25 1HB ALA 25 -12.324 2.840 3.473 183 2HB ALA 25 2HB ALA 25 -11.822 3.143 1.810 184 3HB ALA 25 3HB ALA 25 -10.867 2.074 2.838 185 H THR 26 H THR 26 -15.006 1.719 2.870 186 HA THR 26 HA THR 26 -14.951 0.462 5.430 187 HB THR 26 HB THR 26 -17.467 1.212 3.972 188 HG1 THR 26 1HG THR 26 -16.256 3.213 5.413 189 1HG2 THR 26 1HG2 THR 26 -18.218 0.675 6.002 190 2HG2 THR 26 2HG2 THR 26 -17.640 2.286 6.430 191 3HG2 THR 26 3HG2 THR 26 -16.637 0.872 6.757 192 H GLN 27 H GLN 27 -16.206 -0.315 2.231 193 HA GLN 27 HA GLN 27 -17.667 -2.610 2.851 194 1HB GLN 27 2HB GLN 27 -16.113 -1.849 0.375 195 2HB GLN 27 1HB GLN 27 -17.102 -3.300 0.469 196 1HG GLN 27 2HG GLN 27 -18.193 -0.552 0.990 197 2HG GLN 27 1HG GLN 27 -18.158 -1.285 -0.614 198 1HE2 GLN 27 1HE2 GLN 27 -19.270 -1.852 2.692 199 2HE2 GLN 27 2HE2 GLN 27 -20.690 -2.733 2.253 200 H ALA 28 H ALA 28 -14.248 -2.147 2.125 201 HA ALA 28 HA ALA 28 -13.587 -4.931 2.387 202 1HB ALA 28 1HB ALA 28 -11.355 -3.115 2.750 203 2HB ALA 28 2HB ALA 28 -12.323 -2.692 1.338 204 3HB ALA 28 3HB ALA 28 -11.640 -4.312 1.487 205 H LEU 29 H LEU 29 -13.737 -2.140 4.457 206 HA LEU 29 HA LEU 29 -12.214 -3.202 6.611 207 1HB LEU 29 2HB LEU 29 -14.070 -0.891 6.268 208 2HB LEU 29 1HB LEU 29 -13.552 -1.359 7.878 209 HG LEU 29 HG LEU 29 -11.418 -1.020 5.859 210 1HD1 LEU 29 1HD1 LEU 29 -13.101 0.853 5.518 211 2HD1 LEU 29 2HD1 LEU 29 -11.432 1.316 5.851 212 3HD1 LEU 29 3HD1 LEU 29 -12.643 1.399 7.131 213 1HD2 LEU 29 1HD2 LEU 29 -10.220 -0.133 7.747 214 2HD2 LEU 29 2HD2 LEU 29 -11.010 -1.636 8.222 215 3HD2 LEU 29 3HD2 LEU 29 -11.697 -0.086 8.710 216 H GLU 30 H GLU 30 -15.562 -3.343 5.658 217 HA GLU 30 HA GLU 30 -16.330 -4.583 8.185 218 1HB GLU 30 2HB GLU 30 -17.839 -3.426 5.867 219 2HB GLU 30 1HB GLU 30 -18.639 -4.559 6.949 220 1HG GLU 30 2HG GLU 30 -17.352 -2.693 8.595 221 2HG GLU 30 1HG GLU 30 -18.114 -1.769 7.302 222 H LYS 31 H LYS 31 -15.370 -5.426 5.042 223 HA LYS 31 HA LYS 31 -16.705 -8.015 5.094 224 1HB LYS 31 2HB LYS 31 -15.381 -6.353 3.059 225 2HB LYS 31 1HB LYS 31 -15.069 -8.077 2.907 226 1HG LYS 31 2HG LYS 31 -16.954 -7.529 1.554 227 2HG LYS 31 1HG LYS 31 -17.522 -8.465 2.938 228 1HD LYS 31 2HD LYS 31 -18.281 -6.455 4.040 229 2HD LYS 31 1HD LYS 31 -17.593 -5.454 2.760 230 1HE LYS 31 2HE LYS 31 -19.267 -7.307 1.482 231 2HE LYS 31 1HE LYS 31 -20.160 -6.740 2.892 232 1HZ LYS 31 1HZ LYS 31 -19.264 -4.434 1.986 233 2HZ LYS 31 2HZ LYS 31 -20.715 -5.113 1.445 234 3HZ LYS 31 3HZ LYS 31 -19.310 -5.276 0.519 235 H TYR 32 H TYR 32 -13.648 -6.580 5.789 236 HA TYR 32 HA TYR 32 -12.664 -9.013 6.923 237 1HB TYR 32 2HB TYR 32 -10.575 -8.204 5.119 238 2HB TYR 32 1HB TYR 32 -11.335 -9.781 5.296 239 HD1 TYR 32 1HD TYR 32 -12.004 -6.444 3.753 240 HD2 TYR 32 2HD TYR 32 -12.460 -10.665 3.479 241 HE1 TYR 32 1HE TYR 32 -13.041 -6.182 1.539 242 HE2 TYR 32 2HE TYR 32 -13.498 -10.414 1.264 243 HH TYR 32 HH TYR 32 -14.860 -8.278 0.102 244 H ASN 33 H ASN 33 -11.263 -8.586 8.534 245 HA ASN 33 HA ASN 33 -10.510 -5.788 8.928 246 1HB ASN 33 2HB ASN 33 -11.700 -7.221 10.705 247 2HB ASN 33 1HB ASN 33 -10.141 -8.007 10.932 248 1HD2 ASN 33 1HD2 ASN 33 -11.668 -6.416 12.805 249 2HD2 ASN 33 2HD2 ASN 33 -10.658 -5.090 13.261 250 H ILE 34 H ILE 34 -9.083 -7.159 6.951 251 HA ILE 34 HA ILE 34 -6.435 -7.468 8.213 252 HB ILE 34 HB ILE 34 -7.406 -8.703 5.636 253 1HG1 ILE 34 2HG1 ILE 34 -8.411 -9.841 7.499 254 2HG1 ILE 34 1HG1 ILE 34 -7.103 -10.849 6.886 255 1HG2 ILE 34 1HG2 ILE 34 -5.043 -9.925 6.517 256 2HG2 ILE 34 2HG2 ILE 34 -4.773 -8.186 6.636 257 3HG2 ILE 34 3HG2 ILE 34 -5.263 -8.899 5.099 258 1HD1 ILE 34 1HD1 ILE 34 -6.392 -10.974 8.974 259 2HD1 ILE 34 2HD1 ILE 34 -7.477 -9.684 9.497 260 3HD1 ILE 34 3HD1 ILE 34 -5.898 -9.288 8.816 261 H GLU 35 H GLU 35 -5.531 -5.494 8.000 262 HA GLU 35 HA GLU 35 -5.787 -3.393 6.504 263 1HB GLU 35 2HB GLU 35 -3.451 -4.720 7.554 264 2HB GLU 35 1HB GLU 35 -3.053 -3.878 6.063 265 1HG GLU 35 2HG GLU 35 -2.771 -2.099 7.372 266 2HG GLU 35 1HG GLU 35 -4.532 -2.007 7.370 267 H LYS 36 H LYS 36 -3.234 -5.297 5.039 268 HA LYS 36 HA LYS 36 -3.413 -4.462 2.501 269 1HB LYS 36 2HB LYS 36 -3.154 -7.403 2.679 270 2HB LYS 36 1HB LYS 36 -2.090 -6.221 1.927 271 1HG LYS 36 2HG LYS 36 -1.691 -5.605 4.506 272 2HG LYS 36 1HG LYS 36 -2.073 -7.321 4.659 273 1HD LYS 36 2HD LYS 36 0.059 -6.121 2.894 274 2HD LYS 36 1HD LYS 36 0.328 -6.991 4.405 275 1HE LYS 36 2HE LYS 36 -0.072 -9.019 3.468 276 2HE LYS 36 1HE LYS 36 -1.257 -8.380 2.329 277 1HZ LYS 36 1HZ LYS 36 0.652 -9.078 1.117 278 2HZ LYS 36 2HZ LYS 36 1.699 -8.204 2.120 279 3HZ LYS 36 3HZ LYS 36 0.633 -7.386 1.094 280 H ASP 37 H ASP 37 -5.465 -6.970 3.930 281 HA ASP 37 HA ASP 37 -6.865 -7.725 1.634 282 1HB ASP 37 2HB ASP 37 -7.001 -8.959 3.755 283 2HB ASP 37 1HB ASP 37 -7.865 -7.613 4.491 284 H ILE 38 H ILE 38 -7.843 -5.377 4.135 285 HA ILE 38 HA ILE 38 -10.161 -4.438 2.962 286 HB ILE 38 HB ILE 38 -8.233 -2.628 4.406 287 1HG1 ILE 38 2HG1 ILE 38 -10.238 -4.417 5.773 288 2HG1 ILE 38 1HG1 ILE 38 -8.570 -4.922 5.511 289 1HG2 ILE 38 1HG2 ILE 38 -11.185 -2.666 4.803 290 2HG2 ILE 38 2HG2 ILE 38 -10.529 -1.937 3.337 291 3HG2 ILE 38 3HG2 ILE 38 -10.047 -1.323 4.918 292 1HD1 ILE 38 1HD1 ILE 38 -8.909 -4.021 7.748 293 2HD1 ILE 38 2HD1 ILE 38 -9.444 -2.490 7.054 294 3HD1 ILE 38 3HD1 ILE 38 -7.782 -3.033 6.820 295 H ALA 39 H ALA 39 -6.829 -3.312 2.494 296 HA ALA 39 HA ALA 39 -7.412 -1.210 0.722 297 1HB ALA 39 1HB ALA 39 -5.057 -1.309 0.102 298 2HB ALA 39 2HB ALA 39 -4.907 -2.886 0.877 299 3HB ALA 39 3HB ALA 39 -5.249 -1.456 1.849 300 H ALA 40 H ALA 40 -6.579 -4.609 0.150 301 HA ALA 40 HA ALA 40 -6.513 -4.578 -2.634 302 1HB ALA 40 1HB ALA 40 -7.706 -6.974 -1.404 303 2HB ALA 40 2HB ALA 40 -6.141 -6.484 -0.757 304 3HB ALA 40 3HB ALA 40 -6.317 -6.821 -2.479 305 H HIS 41 H HIS 41 -9.229 -5.720 -0.625 306 HA HIS 41 HA HIS 41 -11.182 -6.037 -2.454 307 1HB HIS 41 2HB HIS 41 -11.945 -6.485 -0.334 308 2HB HIS 41 1HB HIS 41 -11.171 -5.071 0.362 309 HD1 HIS 41 1HD HIS 41 -14.352 -6.304 0.142 310 HD2 HIS 41 2HD HIS 41 -12.731 -2.646 -0.967 311 HE1 HIS 41 1HE HIS 41 -16.291 -4.704 0.076 312 HE2 HIS 41 2HE HIS 41 -15.295 -2.509 -0.659 313 H ILE 42 H ILE 42 -10.377 -2.921 -0.929 314 HA ILE 42 HA ILE 42 -12.167 -1.310 -2.316 315 HB ILE 42 HB ILE 42 -9.403 -0.582 -1.335 316 1HG1 ILE 42 2HG1 ILE 42 -11.913 0.159 0.097 317 2HG1 ILE 42 1HG1 ILE 42 -11.348 -1.504 0.230 318 1HG2 ILE 42 1HG2 ILE 42 -11.324 1.559 -1.311 319 2HG2 ILE 42 2HG2 ILE 42 -11.148 0.900 -2.937 320 3HG2 ILE 42 3HG2 ILE 42 -9.732 1.489 -2.066 321 1HD1 ILE 42 1HD1 ILE 42 -10.427 0.847 1.580 322 2HD1 ILE 42 2HD1 ILE 42 -9.103 0.101 0.685 323 3HD1 ILE 42 3HD1 ILE 42 -10.012 -0.844 1.863 324 H LYS 43 H LYS 43 -8.672 -1.456 -3.006 325 HA LYS 43 HA LYS 43 -8.502 -0.143 -5.333 326 1HB LYS 43 2HB LYS 43 -6.789 -1.711 -4.006 327 2HB LYS 43 1HB LYS 43 -7.140 -2.785 -5.354 328 1HG LYS 43 2HG LYS 43 -6.545 -0.028 -6.136 329 2HG LYS 43 1HG LYS 43 -5.214 -0.870 -5.340 330 1HD LYS 43 2HD LYS 43 -4.935 -1.336 -7.624 331 2HD LYS 43 1HD LYS 43 -5.688 -2.788 -6.960 332 1HE LYS 43 2HE LYS 43 -7.863 -1.297 -7.649 333 2HE LYS 43 1HE LYS 43 -6.712 -0.849 -8.906 334 1HZ LYS 43 1HZ LYS 43 -6.451 -3.536 -8.781 335 2HZ LYS 43 2HZ LYS 43 -7.406 -2.705 -9.902 336 3HZ LYS 43 3HZ LYS 43 -8.106 -3.332 -8.497 337 H LYS 44 H LYS 44 -9.053 -3.674 -5.319 338 HA LYS 44 HA LYS 44 -9.550 -4.096 -7.954 339 1HB LYS 44 2HB LYS 44 -9.525 -5.937 -6.412 340 2HB LYS 44 1HB LYS 44 -10.947 -5.325 -5.579 341 1HG LYS 44 2HG LYS 44 -12.288 -6.438 -6.943 342 2HG LYS 44 1HG LYS 44 -11.535 -5.700 -8.358 343 1HD LYS 44 2HD LYS 44 -9.823 -7.395 -8.390 344 2HD LYS 44 1HD LYS 44 -10.420 -8.080 -6.878 345 1HE LYS 44 2HE LYS 44 -12.187 -9.103 -7.882 346 2HE LYS 44 1HE LYS 44 -12.347 -7.855 -9.116 347 1HZ LYS 44 1HZ LYS 44 -10.208 -9.915 -9.045 348 2HZ LYS 44 2HZ LYS 44 -10.436 -8.754 -10.254 349 3HZ LYS 44 3HZ LYS 44 -11.585 -9.976 -10.029 350 H GLU 45 H GLU 45 -12.080 -3.324 -5.579 351 HA GLU 45 HA GLU 45 -14.214 -3.107 -7.325 352 1HB GLU 45 2HB GLU 45 -13.688 -2.472 -4.596 353 2HB GLU 45 1HB GLU 45 -14.528 -1.109 -5.323 354 1HG GLU 45 2HG GLU 45 -16.096 -2.658 -4.322 355 2HG GLU 45 1HG GLU 45 -16.308 -2.600 -6.071 356 H PHE 46 H PHE 46 -12.215 -0.411 -6.099 357 HA PHE 46 HA PHE 46 -13.343 1.607 -7.636 358 1HB PHE 46 2HB PHE 46 -10.896 1.241 -6.089 359 2HB PHE 46 1HB PHE 46 -10.675 2.327 -7.457 360 HD1 PHE 46 1HD PHE 46 -11.560 4.514 -7.437 361 HD2 PHE 46 2HD PHE 46 -12.640 1.749 -4.388 362 HE1 PHE 46 1HE PHE 46 -12.587 6.341 -6.150 363 HE2 PHE 46 2HE PHE 46 -13.669 3.572 -3.094 364 HZ PHE 46 HZ PHE 46 -13.643 5.873 -3.975 365 H ASP 47 H ASP 47 -10.889 -0.755 -8.473 366 HA ASP 47 HA ASP 47 -10.163 0.463 -10.954 367 1HB ASP 47 2HB ASP 47 -8.699 -1.113 -9.664 368 2HB ASP 47 1HB ASP 47 -9.792 -2.419 -10.113 369 H LYS 48 H LYS 48 -12.739 -1.530 -9.895 370 HA LYS 48 HA LYS 48 -13.571 -1.962 -12.683 371 1HB LYS 48 2HB LYS 48 -13.863 -3.727 -10.266 372 2HB LYS 48 1HB LYS 48 -14.909 -3.912 -11.666 373 1HG LYS 48 2HG LYS 48 -11.942 -3.915 -12.002 374 2HG LYS 48 1HG LYS 48 -12.781 -5.367 -11.454 375 1HD LYS 48 2HD LYS 48 -12.521 -5.434 -13.858 376 2HD LYS 48 1HD LYS 48 -14.228 -5.246 -13.451 377 1HE LYS 48 2HE LYS 48 -14.354 -3.193 -14.371 378 2HE LYS 48 1HE LYS 48 -12.744 -2.734 -13.816 379 1HZ LYS 48 1HZ LYS 48 -13.569 -3.877 -16.337 380 2HZ LYS 48 2HZ LYS 48 -12.184 -4.586 -15.676 381 3HZ LYS 48 3HZ LYS 48 -12.223 -2.921 -15.970 382 H LYS 49 H LYS 49 -14.116 0.046 -10.317 383 HA LYS 49 HA LYS 49 -17.022 0.097 -10.747 384 1HB LYS 49 2HB LYS 49 -16.017 -0.561 -8.377 385 2HB LYS 49 1HB LYS 49 -15.902 1.186 -8.212 386 1HG LYS 49 2HG LYS 49 -18.340 1.299 -8.800 387 2HG LYS 49 1HG LYS 49 -18.374 -0.460 -8.663 388 1HD LYS 49 2HD LYS 49 -18.967 0.067 -6.528 389 2HD LYS 49 1HD LYS 49 -17.214 0.092 -6.334 390 1HE LYS 49 2HE LYS 49 -17.461 2.161 -5.542 391 2HE LYS 49 1HE LYS 49 -17.805 2.645 -7.202 392 1HZ LYS 49 1HZ LYS 49 -19.688 2.118 -5.001 393 2HZ LYS 49 2HZ LYS 49 -20.201 1.959 -6.604 394 3HZ LYS 49 3HZ LYS 49 -19.614 3.445 -6.049 395 H TYR 50 H TYR 50 -14.262 1.637 -11.477 396 HA TYR 50 HA TYR 50 -15.650 4.178 -11.793 397 1HB TYR 50 2HB TYR 50 -13.039 3.879 -10.307 398 2HB TYR 50 1HB TYR 50 -13.630 5.416 -10.930 399 HD1 TYR 50 1HD TYR 50 -13.905 2.948 -8.297 400 HD2 TYR 50 2HD TYR 50 -15.735 6.388 -10.008 401 HE1 TYR 50 1HE TYR 50 -15.213 3.268 -6.241 402 HE2 TYR 50 2HE TYR 50 -17.047 6.719 -7.955 403 HH TYR 50 HH TYR 50 -17.825 4.836 -5.948 404 H ASN 51 H ASN 51 -12.334 2.876 -12.161 405 HA ASN 51 HA ASN 51 -12.167 2.500 -14.821 406 1HB ASN 51 2HB ASN 51 -11.249 4.704 -15.675 407 2HB ASN 51 1HB ASN 51 -12.982 4.676 -15.365 408 1HD2 ASN 51 1HD2 ASN 51 -11.953 7.073 -15.528 409 2HD2 ASN 51 2HD2 ASN 51 -11.762 7.812 -13.978 410 HA PRO 52 HA PRO 52 -8.312 1.304 -12.809 411 1HB PRO 52 2HB PRO 52 -7.725 0.801 -15.694 412 2HB PRO 52 1HB PRO 52 -7.407 -0.221 -14.286 413 1HG PRO 52 2HG PRO 52 -9.450 -0.743 -15.908 414 2HG PRO 52 1HG PRO 52 -9.599 -0.952 -14.154 415 1HD PRO 52 2HD PRO 52 -10.722 1.164 -15.912 416 2HD PRO 52 1HD PRO 52 -11.358 0.497 -14.394 417 H THR 53 H THR 53 -5.741 3.609 -13.556 418 HA THR 53 HA THR 53 -6.812 1.187 -12.276 419 HB THR 53 HB THR 53 -3.922 1.965 -12.721 420 HG1 THR 53 1HG THR 53 -4.809 1.126 -14.582 421 1HG2 THR 53 1HG2 THR 53 -3.985 0.786 -10.666 422 2HG2 THR 53 2HG2 THR 53 -3.441 -0.345 -11.906 423 3HG2 THR 53 3HG2 THR 53 -5.103 -0.413 -11.316 424 H TRP 54 H TRP 54 -6.963 1.169 -10.089 425 HA TRP 54 HA TRP 54 -6.293 3.676 -8.733 426 1HB TRP 54 2HB TRP 54 -8.150 1.439 -7.906 427 2HB TRP 54 1HB TRP 54 -7.877 2.921 -6.993 428 HD1 TRP 54 HD TRP 54 -9.350 1.767 -10.373 429 HE1 TRP 54 1HE TRP 54 -11.111 3.494 -11.105 430 HE3 TRP 54 3HE TRP 54 -8.686 5.229 -6.669 431 HZ2 TRP 54 2HZ TRP 54 -12.092 5.990 -10.232 432 HZ3 TRP 54 3HZ TRP 54 -10.074 7.261 -6.691 433 HH2 TRP 54 HH TRP 54 -11.740 7.633 -8.436 434 H HIS 55 H HIS 55 -5.166 3.772 -6.859 435 HA HIS 55 HA HIS 55 -3.878 1.316 -5.883 436 1HB HIS 55 2HB HIS 55 -2.373 3.914 -5.911 437 2HB HIS 55 1HB HIS 55 -1.747 2.271 -5.856 438 HD1 HIS 55 1HD HIS 55 -0.214 2.480 -7.866 439 HD2 HIS 55 2HD HIS 55 -4.161 3.461 -8.719 440 HE1 HIS 55 1HE HIS 55 -0.329 2.689 -10.368 441 HE2 HIS 55 2HE HIS 55 -2.743 3.211 -10.868 442 H CYS 56 H CYS 56 -4.918 1.102 -3.964 443 HA CYS 56 HA CYS 56 -5.044 3.489 -2.238 444 1HB CYS 56 2HB CYS 56 -7.261 3.092 -2.428 445 2HB CYS 56 1HB CYS 56 -7.029 1.405 -2.873 446 HG CYS 56 HG CYS 56 -8.037 2.140 -0.305 447 H ILE 57 H ILE 57 -5.078 3.079 0.066 448 HA ILE 57 HA ILE 57 -3.616 0.662 0.891 449 HB ILE 57 HB ILE 57 -3.019 3.413 1.983 450 1HG1 ILE 57 2HG1 ILE 57 -2.296 3.401 -0.318 451 2HG1 ILE 57 1HG1 ILE 57 -0.876 3.233 0.711 452 1HG2 ILE 57 1HG2 ILE 57 -2.617 1.314 3.371 453 2HG2 ILE 57 2HG2 ILE 57 -1.256 2.416 3.168 454 3HG2 ILE 57 3HG2 ILE 57 -1.341 0.934 2.216 455 1HD1 ILE 57 1HD1 ILE 57 -1.689 1.590 -1.417 456 2HD1 ILE 57 2HD1 ILE 57 -1.859 0.641 0.059 457 3HD1 ILE 57 3HD1 ILE 57 -0.308 1.379 -0.341 458 H VAL 58 H VAL 58 -3.639 0.553 3.413 459 HA VAL 58 HA VAL 58 -5.760 1.849 4.785 460 HB VAL 58 HB VAL 58 -7.060 0.285 3.331 461 1HG1 VAL 58 1HG1 VAL 58 -6.023 -1.912 5.086 462 2HG1 VAL 58 2HG1 VAL 58 -5.270 -1.526 3.538 463 3HG1 VAL 58 3HG1 VAL 58 -6.958 -2.035 3.596 464 1HG2 VAL 58 1HG2 VAL 58 -8.550 0.560 4.954 465 2HG2 VAL 58 2HG2 VAL 58 -7.265 0.736 6.148 466 3HG2 VAL 58 3HG2 VAL 58 -7.894 -0.864 5.761 467 H GLY 59 H GLY 59 -4.890 2.045 6.725 468 1HA GLY 59 2HA GLY 59 -3.831 -0.353 8.041 469 2HA GLY 59 1HA GLY 59 -2.821 1.085 7.968 470 H ARG 60 H ARG 60 -2.758 1.639 10.097 471 HA ARG 60 HA ARG 60 -5.088 2.883 11.183 472 1HB ARG 60 2HB ARG 60 -4.725 1.374 13.333 473 2HB ARG 60 1HB ARG 60 -5.835 0.926 12.046 474 1HG ARG 60 2HG ARG 60 -3.453 -0.147 11.206 475 2HG ARG 60 1HG ARG 60 -3.408 -0.382 12.955 476 1HD ARG 60 2HD ARG 60 -5.872 -1.072 11.408 477 2HD ARG 60 1HD ARG 60 -4.504 -2.185 11.432 478 HE ARG 60 HE ARG 60 -6.323 -1.622 13.588 479 1HH1 ARG 60 1HH1 ARG 60 -3.151 -2.770 12.736 480 2HH1 ARG 60 2HH1 ARG 60 -2.955 -3.699 14.184 481 1HH2 ARG 60 1HH2 ARG 60 -6.080 -2.847 15.498 482 2HH2 ARG 60 2HH2 ARG 60 -4.620 -3.744 15.754 483 H ASN 61 H ASN 61 -1.908 2.847 10.725 484 HA ASN 61 HA ASN 61 -1.350 4.966 12.455 485 1HB ASN 61 2HB ASN 61 -1.340 2.539 13.830 486 2HB ASN 61 1HB ASN 61 0.361 2.882 13.534 487 1HD2 ASN 61 1HD2 ASN 61 -2.433 3.695 15.316 488 2HD2 ASN 61 2HD2 ASN 61 -1.736 4.953 16.274 489 H PHE 62 H PHE 62 -0.890 4.059 9.737 490 HA PHE 62 HA PHE 62 2.035 3.860 9.632 491 1HB PHE 62 2HB PHE 62 1.821 3.026 7.440 492 2HB PHE 62 1HB PHE 62 0.499 2.277 8.328 493 HD1 PHE 62 1HD PHE 62 1.005 3.037 5.255 494 HD2 PHE 62 2HD PHE 62 -1.402 4.572 8.408 495 HE1 PHE 62 1HE PHE 62 -0.588 3.920 3.602 496 HE2 PHE 62 2HE PHE 62 -3.002 5.455 6.763 497 HZ PHE 62 HZ PHE 62 -2.598 5.130 4.356 498 H GLY 63 H GLY 63 2.579 4.945 7.190 499 1HA GLY 63 2HA GLY 63 1.553 7.689 7.219 500 2HA GLY 63 1HA GLY 63 3.283 7.452 7.431 501 H SER 64 H SER 64 0.625 7.372 5.213 502 HA SER 64 HA SER 64 2.196 6.342 3.022 503 1HB SER 64 2HB SER 64 -0.027 7.310 1.818 504 2HB SER 64 1HB SER 64 0.055 5.723 2.581 505 HG SER 64 HG SER 64 -1.544 6.464 3.728 506 H TYR 65 H TYR 65 3.212 7.442 1.474 507 HA TYR 65 HA TYR 65 2.740 10.304 1.155 508 1HB TYR 65 2HB TYR 65 4.681 9.820 2.799 509 2HB TYR 65 1HB TYR 65 5.569 9.301 1.370 510 HD1 TYR 65 1HD TYR 65 3.911 12.182 2.980 511 HD2 TYR 65 2HD TYR 65 6.475 10.887 -0.158 512 HE1 TYR 65 1HE TYR 65 4.525 14.520 2.526 513 HE2 TYR 65 2HE TYR 65 7.097 13.221 -0.621 514 HH TYR 65 HH TYR 65 6.193 15.472 -0.279 515 H VAL 66 H VAL 66 1.724 8.992 -0.700 516 HA VAL 66 HA VAL 66 3.733 8.574 -2.811 517 HB VAL 66 HB VAL 66 2.361 6.971 -3.837 518 1HG1 VAL 66 1HG1 VAL 66 3.433 6.338 -1.612 519 2HG1 VAL 66 2HG1 VAL 66 2.166 5.276 -2.228 520 3HG1 VAL 66 3HG1 VAL 66 1.806 6.424 -0.937 521 1HG2 VAL 66 1HG2 VAL 66 0.028 6.887 -2.170 522 2HG2 VAL 66 2HG2 VAL 66 0.144 7.119 -3.915 523 3HG2 VAL 66 3HG2 VAL 66 0.233 8.509 -2.833 524 H THR 67 H THR 67 3.230 9.277 -4.941 525 HA THR 67 HA THR 67 2.118 11.854 -5.083 526 HB THR 67 HB THR 67 3.839 10.745 -6.631 527 HG1 THR 67 1HG THR 67 3.317 12.712 -7.283 528 1HG2 THR 67 1HG2 THR 67 3.232 9.418 -8.345 529 2HG2 THR 67 2HG2 THR 67 1.618 10.119 -8.464 530 3HG2 THR 67 3HG2 THR 67 1.976 8.938 -7.203 531 H HIS 68 H HIS 68 0.615 11.819 -7.460 532 HA HIS 68 HA HIS 68 -1.670 10.097 -7.090 533 1HB HIS 68 2HB HIS 68 -3.140 12.303 -7.037 534 2HB HIS 68 1HB HIS 68 -2.545 11.563 -5.555 535 HD1 HIS 68 1HD HIS 68 0.362 12.655 -5.653 536 HD2 HIS 68 2HD HIS 68 -3.050 14.935 -6.302 537 HE1 HIS 68 1HE HIS 68 1.031 15.026 -5.145 538 HE2 HIS 68 2HE HIS 68 -1.029 16.396 -5.618 539 H GLU 69 H GLU 69 -3.115 10.133 -8.849 540 HA GLU 69 HA GLU 69 -2.476 11.893 -11.089 541 1HB GLU 69 2HB GLU 69 -2.876 9.093 -11.898 542 2HB GLU 69 1HB GLU 69 -1.753 10.297 -12.517 543 1HG GLU 69 2HG GLU 69 -1.268 9.091 -9.838 544 2HG GLU 69 1HG GLU 69 -0.882 8.169 -11.291 545 H THR 70 H THR 70 -4.080 11.338 -12.976 546 HA THR 70 HA THR 70 -6.267 11.675 -13.585 547 HB THR 70 HB THR 70 -6.824 9.246 -11.892 548 HG1 THR 70 1HG THR 70 -6.018 8.699 -14.418 549 1HG2 THR 70 1HG2 THR 70 -7.816 10.077 -14.607 550 2HG2 THR 70 2HG2 THR 70 -8.729 10.133 -13.098 551 3HG2 THR 70 3HG2 THR 70 -8.227 8.581 -13.769 552 H LYS 71 H LYS 71 -7.926 10.112 -11.139 553 HA LYS 71 HA LYS 71 -9.180 12.508 -10.254 554 1HB LYS 71 2HB LYS 71 -9.342 9.638 -9.348 555 2HB LYS 71 1HB LYS 71 -10.240 10.919 -8.545 556 1HG LYS 71 2HG LYS 71 -10.501 10.023 -11.403 557 2HG LYS 71 1HG LYS 71 -11.688 9.855 -10.108 558 1HD LYS 71 2HD LYS 71 -12.443 11.948 -10.381 559 2HD LYS 71 1HD LYS 71 -10.815 12.609 -10.537 560 1HE LYS 71 2HE LYS 71 -11.552 11.005 -12.833 561 2HE LYS 71 1HE LYS 71 -12.697 12.318 -12.558 562 1HZ LYS 71 1HZ LYS 71 -9.959 13.138 -12.305 563 2HZ LYS 71 2HZ LYS 71 -11.213 13.827 -13.207 564 3HZ LYS 71 3HZ LYS 71 -10.322 12.539 -13.845 565 H HIS 72 H HIS 72 -6.248 12.185 -9.779 566 HA HIS 72 HA HIS 72 -4.720 12.790 -8.209 567 1HB HIS 72 2HB HIS 72 -7.230 13.756 -6.835 568 2HB HIS 72 1HB HIS 72 -5.618 14.016 -6.177 569 HD1 HIS 72 1HD HIS 72 -4.415 16.046 -6.973 570 HD2 HIS 72 2HD HIS 72 -7.589 15.026 -9.455 571 HE1 HIS 72 1HE HIS 72 -4.591 17.918 -8.643 572 HE2 HIS 72 2HE HIS 72 -6.561 17.313 -10.093 573 H PHE 73 H PHE 73 -7.142 12.176 -5.755 574 HA PHE 73 HA PHE 73 -6.943 9.551 -5.177 575 1HB PHE 73 2HB PHE 73 -5.027 9.073 -3.959 576 2HB PHE 73 1HB PHE 73 -4.396 10.157 -5.192 577 HD1 PHE 73 1HD PHE 73 -3.813 9.377 -2.031 578 HD2 PHE 73 2HD PHE 73 -5.060 12.788 -4.248 579 HE1 PHE 73 1HE PHE 73 -2.922 10.844 -0.267 580 HE2 PHE 73 2HE PHE 73 -4.170 14.261 -2.489 581 HZ PHE 73 HZ PHE 73 -3.100 13.289 -0.495 582 H ILE 74 H ILE 74 -6.617 9.339 -2.480 583 HA ILE 74 HA ILE 74 -7.827 11.535 -1.093 584 HB ILE 74 HB ILE 74 -9.776 10.446 -2.272 585 1HG1 ILE 74 2HG1 ILE 74 -9.543 10.814 0.700 586 2HG1 ILE 74 1HG1 ILE 74 -10.359 11.826 -0.481 587 1HG2 ILE 74 1HG2 ILE 74 -10.153 8.320 -0.404 588 2HG2 ILE 74 2HG2 ILE 74 -8.591 8.118 -1.196 589 3HG2 ILE 74 3HG2 ILE 74 -10.060 8.246 -2.164 590 1HD1 ILE 74 1HD1 ILE 74 -11.310 9.389 0.917 591 2HD1 ILE 74 2HD1 ILE 74 -11.941 9.746 -0.691 592 3HD1 ILE 74 3HD1 ILE 74 -12.134 10.918 0.614 593 H TYR 75 H TYR 75 -7.590 11.394 1.079 594 HA TYR 75 HA TYR 75 -6.607 8.864 2.202 595 1HB TYR 75 2HB TYR 75 -4.739 10.523 1.730 596 2HB TYR 75 1HB TYR 75 -5.471 11.564 2.945 597 HD1 TYR 75 1HD TYR 75 -3.905 11.595 4.673 598 HD2 TYR 75 2HD TYR 75 -5.066 7.861 2.994 599 HE1 TYR 75 1HE TYR 75 -2.656 10.420 6.434 600 HE2 TYR 75 2HE TYR 75 -3.819 6.677 4.753 601 HH TYR 75 HH TYR 75 -2.573 8.281 7.519 602 H PHE 76 H PHE 76 -7.365 8.387 4.234 603 HA PHE 76 HA PHE 76 -8.606 10.376 5.892 604 1HB PHE 76 2HB PHE 76 -10.835 9.081 5.884 605 2HB PHE 76 1HB PHE 76 -10.511 10.173 4.543 606 HD1 PHE 76 1HD PHE 76 -11.803 7.093 5.316 607 HD2 PHE 76 2HD PHE 76 -9.102 8.919 2.583 608 HE1 PHE 76 1HE PHE 76 -12.163 5.245 3.731 609 HE2 PHE 76 2HE PHE 76 -9.458 7.078 0.992 610 HZ PHE 76 HZ PHE 76 -10.990 5.236 1.565 611 H TYR 77 H TYR 77 -9.847 9.168 7.756 612 HA TYR 77 HA TYR 77 -8.430 6.686 8.426 613 1HB TYR 77 2HB TYR 77 -7.224 8.536 9.493 614 2HB TYR 77 1HB TYR 77 -8.715 9.079 10.255 615 HD1 TYR 77 1HD TYR 77 -9.775 7.673 12.019 616 HD2 TYR 77 2HD TYR 77 -5.942 6.759 10.415 617 HE1 TYR 77 1HE TYR 77 -9.324 6.214 13.946 618 HE2 TYR 77 2HE TYR 77 -5.481 5.298 12.338 619 HH TYR 77 HH TYR 77 -6.823 3.994 14.024 620 H LEU 78 H LEU 78 -10.203 5.380 8.263 621 HA LEU 78 HA LEU 78 -12.799 5.991 9.126 622 1HB LEU 78 2HB LEU 78 -11.396 3.345 8.782 623 2HB LEU 78 1HB LEU 78 -13.100 3.482 9.163 624 HG LEU 78 HG LEU 78 -12.453 3.082 6.721 625 1HD1 LEU 78 1HD1 LEU 78 -14.528 4.597 7.920 626 2HD1 LEU 78 2HD1 LEU 78 -14.566 3.658 6.427 627 3HD1 LEU 78 3HD1 LEU 78 -14.103 5.358 6.388 628 1HD2 LEU 78 1HD2 LEU 78 -11.539 5.912 7.091 629 2HD2 LEU 78 2HD2 LEU 78 -12.109 5.334 5.526 630 3HD2 LEU 78 3HD2 LEU 78 -10.717 4.571 6.293 631 H GLY 79 H GLY 79 -13.668 4.021 10.804 632 1HA GLY 79 2HA GLY 79 -13.066 5.060 13.350 633 2HA GLY 79 1HA GLY 79 -13.929 3.560 13.040 634 H GLN 80 H GLN 80 -10.859 5.012 13.766 635 HA GLN 80 HA GLN 80 -8.977 4.136 14.719 636 1HB GLN 80 2HB GLN 80 -10.898 1.880 15.011 637 2HB GLN 80 1HB GLN 80 -9.189 1.513 15.196 638 1HG GLN 80 2HG GLN 80 -10.708 3.586 16.761 639 2HG GLN 80 1HG GLN 80 -10.278 1.976 17.334 640 1HE2 GLN 80 1HE2 GLN 80 -7.689 2.170 15.858 641 2HE2 GLN 80 2HE2 GLN 80 -6.685 3.157 16.858 642 H VAL 81 H VAL 81 -9.879 3.886 11.789 643 HA VAL 81 HA VAL 81 -7.581 2.271 10.936 644 HB VAL 81 HB VAL 81 -10.377 2.103 9.809 645 1HG1 VAL 81 1HG1 VAL 81 -7.893 1.900 8.415 646 2HG1 VAL 81 2HG1 VAL 81 -9.532 1.690 7.799 647 3HG1 VAL 81 3HG1 VAL 81 -8.658 0.312 8.468 648 1HG2 VAL 81 1HG2 VAL 81 -8.529 -0.034 10.866 649 2HG2 VAL 81 2HG2 VAL 81 -10.180 -0.265 10.288 650 3HG2 VAL 81 3HG2 VAL 81 -9.880 0.674 11.751 651 H ALA 82 H ALA 82 -6.971 2.745 8.644 652 HA ALA 82 HA ALA 82 -7.777 5.419 7.752 653 1HB ALA 82 1HB ALA 82 -5.300 4.844 8.995 654 2HB ALA 82 2HB ALA 82 -5.828 6.354 8.255 655 3HB ALA 82 3HB ALA 82 -4.981 5.146 7.288 656 H ILE 83 H ILE 83 -7.431 5.811 5.508 657 HA ILE 83 HA ILE 83 -6.601 3.504 3.907 658 HB ILE 83 HB ILE 83 -8.955 4.899 2.827 659 1HG1 ILE 83 2HG1 ILE 83 -9.456 4.682 5.303 660 2HG1 ILE 83 1HG1 ILE 83 -10.592 3.878 4.226 661 1HG2 ILE 83 1HG2 ILE 83 -7.823 2.149 2.913 662 2HG2 ILE 83 2HG2 ILE 83 -8.334 3.119 1.532 663 3HG2 ILE 83 3HG2 ILE 83 -9.540 2.348 2.562 664 1HD1 ILE 83 1HD1 ILE 83 -9.626 2.712 6.392 665 2HD1 ILE 83 2HD1 ILE 83 -8.336 2.273 5.272 666 3HD1 ILE 83 3HD1 ILE 83 -10.001 1.805 4.926 667 H LEU 84 H LEU 84 -5.284 4.078 2.319 668 HA LEU 84 HA LEU 84 -5.262 6.899 1.470 669 1HB LEU 84 2HB LEU 84 -3.179 6.424 2.477 670 2HB LEU 84 1HB LEU 84 -3.064 4.860 1.691 671 HG LEU 84 HG LEU 84 -3.127 6.544 -0.461 672 1HD1 LEU 84 1HD1 LEU 84 -2.456 8.598 0.021 673 2HD1 LEU 84 2HD1 LEU 84 -1.067 7.981 0.915 674 3HD1 LEU 84 3HD1 LEU 84 -2.613 8.206 1.734 675 1HD2 LEU 84 1HD2 LEU 84 -1.247 4.863 0.900 676 2HD2 LEU 84 2HD2 LEU 84 -0.422 6.273 0.236 677 3HD2 LEU 84 3HD2 LEU 84 -1.376 5.230 -0.820 678 H LEU 85 H LEU 85 -6.709 6.761 -0.213 679 HA LEU 85 HA LEU 85 -6.292 4.757 -2.287 680 1HB LEU 85 2HB LEU 85 -8.531 6.141 -1.275 681 2HB LEU 85 1HB LEU 85 -8.323 6.685 -2.929 682 HG LEU 85 HG LEU 85 -8.131 4.077 -3.388 683 1HD1 LEU 85 1HD1 LEU 85 -8.868 4.173 -0.654 684 2HD1 LEU 85 2HD1 LEU 85 -8.681 2.762 -1.694 685 3HD1 LEU 85 3HD1 LEU 85 -10.245 3.562 -1.570 686 1HD2 LEU 85 1HD2 LEU 85 -10.535 4.079 -3.881 687 2HD2 LEU 85 2HD2 LEU 85 -9.753 5.567 -4.412 688 3HD2 LEU 85 3HD2 LEU 85 -10.719 5.556 -2.936 689 H PHE 86 H PHE 86 -5.844 5.239 -4.439 690 HA PHE 86 HA PHE 86 -5.612 7.779 -5.557 691 1HB PHE 86 2HB PHE 86 -3.376 8.402 -5.362 692 2HB PHE 86 1HB PHE 86 -3.748 7.804 -3.750 693 HD1 PHE 86 1HD PHE 86 -2.013 7.067 -6.901 694 HD2 PHE 86 2HD PHE 86 -2.700 5.847 -2.883 695 HE1 PHE 86 1HE PHE 86 -0.131 5.491 -7.063 696 HE2 PHE 86 2HE PHE 86 -0.818 4.268 -3.036 697 HZ PHE 86 HZ PHE 86 0.468 4.090 -5.128 698 H LYS 87 H LYS 87 -5.868 7.356 -7.633 699 HA LYS 87 HA LYS 87 -4.823 4.838 -8.728 700 1HB LYS 87 2HB LYS 87 -6.383 5.315 -10.627 701 2HB LYS 87 1HB LYS 87 -7.174 5.083 -9.074 702 1HG LYS 87 2HG LYS 87 -7.286 7.564 -8.843 703 2HG LYS 87 1HG LYS 87 -6.679 7.686 -10.496 704 1HD LYS 87 2HD LYS 87 -8.958 5.871 -10.176 705 2HD LYS 87 1HD LYS 87 -9.315 7.558 -9.798 706 1HE LYS 87 2HE LYS 87 -7.869 7.789 -12.101 707 2HE LYS 87 1HE LYS 87 -8.734 6.277 -12.370 708 1HZ LYS 87 1HZ LYS 87 -10.767 7.322 -12.282 709 2HZ LYS 87 2HZ LYS 87 -9.823 8.500 -13.046 710 3HZ LYS 87 3HZ LYS 87 -10.188 8.645 -11.401 711 H SER 88 H SER 88 -3.700 4.797 -10.711 712 HA SER 88 HA SER 88 -2.251 7.287 -11.270 713 1HB SER 88 2HB SER 88 -1.457 4.534 -11.033 714 2HB SER 88 1HB SER 88 -1.032 5.143 -12.632 715 HG SER 88 HG SER 88 -0.464 6.846 -10.534 716 H GLY 89 H GLY 89 -4.914 6.364 -12.289 717 1HA GLY 89 2HA GLY 89 -6.099 6.309 -14.266 718 2HA GLY 89 1HA GLY 89 -4.930 7.516 -14.778 719 1H MET 1 1HT MET 1 25.075 4.602 6.075 720 2H MET 1 2HT MET 1 24.219 5.668 5.037 721 3H MET 1 3HT MET 1 25.798 6.074 5.575 722 HA MET 1 HA MET 1 25.394 5.123 3.234 723 1HB MET 1 2HB MET 1 27.546 4.786 5.245 724 2HB MET 1 1HB MET 1 27.684 3.805 3.792 725 1HG MET 1 2HG MET 1 27.426 6.802 3.879 726 2HG MET 1 1HG MET 1 28.909 5.896 3.585 727 1HE MET 1 1HE MET 1 27.782 3.973 0.275 728 2HE MET 1 2HE MET 1 26.866 3.550 1.720 729 3HE MET 1 3HE MET 1 28.612 3.774 1.817 730 H CYS 2 H CYS 2 26.359 2.737 5.704 731 HA CYS 2 HA CYS 2 24.934 0.686 4.150 732 1HB CYS 2 2HB CYS 2 27.435 0.455 4.550 733 2HB CYS 2 1HB CYS 2 27.049 0.193 6.247 734 HG CYS 2 HG CYS 2 25.555 -1.901 5.214 735 H ASP 3 H ASP 3 23.016 1.704 5.309 736 HA ASP 3 HA ASP 3 22.703 0.566 8.006 737 1HB ASP 3 2HB ASP 3 20.675 2.474 7.013 738 2HB ASP 3 1HB ASP 3 21.435 2.358 8.597 739 H ARG 4 H ARG 4 20.204 0.173 8.430 740 HA ARG 4 HA ARG 4 18.577 -0.733 6.321 741 1HB ARG 4 2HB ARG 4 19.009 -3.243 7.481 742 2HB ARG 4 1HB ARG 4 19.446 -2.737 5.855 743 1HG ARG 4 2HG ARG 4 21.417 -1.843 7.747 744 2HG ARG 4 1HG ARG 4 21.154 -3.583 7.891 745 1HD ARG 4 2HD ARG 4 21.277 -3.468 5.258 746 2HD ARG 4 1HD ARG 4 22.186 -1.994 5.593 747 HE ARG 4 HE ARG 4 23.151 -4.621 5.813 748 1HH1 ARG 4 1HH1 ARG 4 23.192 -1.597 7.541 749 2HH1 ARG 4 2HH1 ARG 4 24.722 -1.898 8.293 750 1HH2 ARG 4 1HH2 ARG 4 25.169 -5.028 6.800 751 2HH2 ARG 4 2HH2 ARG 4 25.845 -3.848 7.873 752 H LYS 5 H LYS 5 19.387 -2.035 9.542 753 HA LYS 5 HA LYS 5 17.925 -2.667 11.228 754 1HB LYS 5 2HB LYS 5 18.756 -0.431 11.799 755 2HB LYS 5 1HB LYS 5 17.408 0.297 10.937 756 1HG LYS 5 2HG LYS 5 16.348 0.326 12.886 757 2HG LYS 5 1HG LYS 5 16.184 -1.423 12.715 758 1HD LYS 5 2HD LYS 5 17.117 -0.984 14.871 759 2HD LYS 5 1HD LYS 5 18.394 -1.662 13.860 760 1HE LYS 5 2HE LYS 5 19.606 0.239 13.892 761 2HE LYS 5 1HE LYS 5 18.178 1.271 13.814 762 1HZ LYS 5 1HZ LYS 5 18.737 -0.207 16.291 763 2HZ LYS 5 2HZ LYS 5 17.944 1.272 16.079 764 3HZ LYS 5 3HZ LYS 5 19.629 1.191 15.955 765 H ALA 6 H ALA 6 16.701 -3.278 8.788 766 HA ALA 6 HA ALA 6 13.886 -2.786 9.464 767 1HB ALA 6 1HB ALA 6 14.617 -3.074 6.597 768 2HB ALA 6 2HB ALA 6 14.908 -1.524 7.385 769 3HB ALA 6 3HB ALA 6 13.280 -2.198 7.341 770 H VAL 7 H VAL 7 12.560 -4.342 7.813 771 HA VAL 7 HA VAL 7 13.812 -6.975 7.695 772 HB VAL 7 HB VAL 7 11.190 -6.539 9.134 773 1HG1 VAL 7 1HG1 VAL 7 10.852 -8.735 9.010 774 2HG1 VAL 7 2HG1 VAL 7 12.505 -9.087 9.513 775 3HG1 VAL 7 3HG1 VAL 7 12.147 -8.783 7.813 776 1HG2 VAL 7 1HG2 VAL 7 13.982 -6.958 10.136 777 2HG2 VAL 7 2HG2 VAL 7 12.590 -7.477 11.086 778 3HG2 VAL 7 3HG2 VAL 7 12.778 -5.778 10.654 779 H ILE 8 H ILE 8 13.589 -6.207 5.405 780 HA ILE 8 HA ILE 8 11.449 -5.607 3.953 781 HB ILE 8 HB ILE 8 13.839 -7.168 3.417 782 1HG1 ILE 8 2HG1 ILE 8 13.506 -5.928 1.176 783 2HG1 ILE 8 1HG1 ILE 8 12.141 -5.154 1.977 784 1HG2 ILE 8 1HG2 ILE 8 11.495 -7.757 1.617 785 2HG2 ILE 8 2HG2 ILE 8 12.215 -8.904 2.746 786 3HG2 ILE 8 3HG2 ILE 8 13.161 -8.287 1.392 787 1HD1 ILE 8 1HD1 ILE 8 13.641 -4.304 3.705 788 2HD1 ILE 8 2HD1 ILE 8 14.126 -3.769 2.097 789 3HD1 ILE 8 3HD1 ILE 8 15.006 -5.073 2.895 790 H LYS 9 H LYS 9 9.686 -6.602 2.980 791 HA LYS 9 HA LYS 9 8.940 -9.256 4.004 792 1HB LYS 9 2HB LYS 9 7.049 -6.900 3.883 793 2HB LYS 9 1HB LYS 9 6.683 -8.514 4.478 794 1HG LYS 9 2HG LYS 9 8.935 -7.198 5.814 795 2HG LYS 9 1HG LYS 9 7.370 -6.412 6.036 796 1HD LYS 9 2HD LYS 9 6.728 -7.983 7.475 797 2HD LYS 9 1HD LYS 9 7.098 -9.259 6.313 798 1HE LYS 9 2HE LYS 9 9.445 -8.042 7.581 799 2HE LYS 9 1HE LYS 9 8.374 -8.893 8.694 800 1HZ LYS 9 1HZ LYS 9 10.268 -10.149 7.443 801 2HZ LYS 9 2HZ LYS 9 9.137 -10.211 6.187 802 3HZ LYS 9 3HZ LYS 9 8.768 -10.891 7.691 803 H ASN 10 H ASN 10 9.223 -7.098 1.438 804 HA ASN 10 HA ASN 10 8.619 -8.916 -0.553 805 1HB ASN 10 2HB ASN 10 6.262 -8.152 0.659 806 2HB ASN 10 1HB ASN 10 6.345 -7.084 -0.739 807 1HD2 ASN 10 1HD2 ASN 10 7.699 -8.812 -2.487 808 2HD2 ASN 10 2HD2 ASN 10 6.629 -10.103 -2.906 809 H ALA 11 H ALA 11 10.182 -8.054 -1.791 810 HA ALA 11 HA ALA 11 9.805 -5.280 -2.693 811 1HB ALA 11 1HB ALA 11 11.618 -5.109 -1.208 812 2HB ALA 11 2HB ALA 11 12.340 -5.166 -2.816 813 3HB ALA 11 3HB ALA 11 12.347 -6.605 -1.795 814 H ASP 12 H ASP 12 10.597 -4.802 -4.791 815 HA ASP 12 HA ASP 12 11.428 -7.018 -6.479 816 1HB ASP 12 2HB ASP 12 9.014 -5.342 -7.197 817 2HB ASP 12 1HB ASP 12 9.676 -6.692 -8.115 818 H MET 13 H MET 13 12.556 -4.523 -5.436 819 HA MET 13 HA MET 13 12.988 -3.025 -7.932 820 1HB MET 13 2HB MET 13 12.163 -1.599 -6.193 821 2HB MET 13 1HB MET 13 13.312 -2.245 -5.032 822 1HG MET 13 2HG MET 13 15.040 -0.998 -5.833 823 2HG MET 13 1HG MET 13 14.380 -0.926 -7.465 824 1HE MET 13 1HE MET 13 12.813 -0.514 -4.181 825 2HE MET 13 2HE MET 13 11.862 0.964 -4.328 826 3HE MET 13 3HE MET 13 13.510 1.034 -3.704 827 H SER 14 H SER 14 15.317 -1.919 -7.802 828 HA SER 14 HA SER 14 17.175 -3.962 -8.206 829 1HB SER 14 2HB SER 14 17.369 -0.988 -7.928 830 2HB SER 14 1HB SER 14 18.855 -1.939 -7.927 831 HG SER 14 HG SER 14 17.951 -2.904 -9.926 832 H GLU 15 H GLU 15 18.461 -5.095 -6.906 833 HA GLU 15 HA GLU 15 18.231 -5.472 -4.284 834 1HB GLU 15 2HB GLU 15 20.423 -5.809 -6.168 835 2HB GLU 15 1HB GLU 15 21.000 -5.545 -4.529 836 1HG GLU 15 2HG GLU 15 20.031 -7.475 -3.729 837 2HG GLU 15 1HG GLU 15 18.844 -7.540 -5.031 838 H GLU 16 H GLU 16 20.891 -3.367 -5.377 839 HA GLU 16 HA GLU 16 21.384 -2.190 -2.909 840 1HB GLU 16 2HB GLU 16 21.811 -1.118 -5.701 841 2HB GLU 16 1HB GLU 16 22.427 -0.330 -4.254 842 1HG GLU 16 2HG GLU 16 23.176 -3.092 -4.242 843 2HG GLU 16 1HG GLU 16 23.639 -2.351 -5.773 844 H MET 17 H MET 17 18.925 -1.580 -5.248 845 HA MET 17 HA MET 17 18.171 1.014 -4.332 846 1HB MET 17 2HB MET 17 17.007 -1.034 -6.163 847 2HB MET 17 1HB MET 17 15.951 0.235 -5.558 848 1HG MET 17 2HG MET 17 18.454 0.550 -7.189 849 2HG MET 17 1HG MET 17 16.799 0.930 -7.663 850 1HE MET 17 1HE MET 17 15.349 2.419 -6.070 851 2HE MET 17 2HE MET 17 15.933 3.954 -5.428 852 3HE MET 17 3HE MET 17 16.112 2.477 -4.481 853 H GLN 18 H GLN 18 17.234 -2.281 -3.529 854 HA GLN 18 HA GLN 18 14.980 -1.536 -1.964 855 1HB GLN 18 2HB GLN 18 16.558 -4.062 -2.245 856 2HB GLN 18 1HB GLN 18 15.310 -3.908 -1.014 857 1HG GLN 18 2HG GLN 18 13.754 -4.368 -2.508 858 2HG GLN 18 1HG GLN 18 14.259 -2.990 -3.485 859 1HE2 GLN 18 1HE2 GLN 18 16.869 -3.928 -3.982 860 2HE2 GLN 18 2HE2 GLN 18 16.744 -5.229 -5.102 861 H GLN 19 H GLN 19 18.294 -2.501 -1.181 862 HA GLN 19 HA GLN 19 18.007 -2.137 1.623 863 1HB GLN 19 2HB GLN 19 20.413 -2.308 -0.193 864 2HB GLN 19 1HB GLN 19 20.564 -2.067 1.541 865 1HG GLN 19 2HG GLN 19 18.867 -4.321 0.702 866 2HG GLN 19 1HG GLN 19 20.586 -4.471 0.347 867 1HE2 GLN 19 1HE2 GLN 19 21.967 -3.666 2.307 868 2HE2 GLN 19 2HE2 GLN 19 21.518 -4.353 3.827 869 H ASP 20 H ASP 20 18.533 -0.093 -1.070 870 HA ASP 20 HA ASP 20 19.618 2.115 0.425 871 1HB ASP 20 2HB ASP 20 19.093 1.496 -2.372 872 2HB ASP 20 1HB ASP 20 18.622 3.143 -1.962 873 H SER 21 H SER 21 16.500 1.034 -0.721 874 HA SER 21 HA SER 21 15.053 3.404 -0.177 875 1HB SER 21 2HB SER 21 13.161 1.484 0.078 876 2HB SER 21 1HB SER 21 13.745 2.065 -1.481 877 HG SER 21 HG SER 21 15.430 0.211 -0.735 878 H VAL 22 H VAL 22 15.796 0.511 1.705 879 HA VAL 22 HA VAL 22 14.236 1.149 3.966 880 HB VAL 22 HB VAL 22 16.773 -0.489 3.826 881 1HG1 VAL 22 1HG1 VAL 22 16.103 -1.449 5.929 882 2HG1 VAL 22 2HG1 VAL 22 14.629 -0.481 5.943 883 3HG1 VAL 22 3HG1 VAL 22 16.202 0.304 6.096 884 1HG2 VAL 22 1HG2 VAL 22 14.751 -2.266 4.117 885 2HG2 VAL 22 2HG2 VAL 22 15.454 -1.809 2.565 886 3HG2 VAL 22 3HG2 VAL 22 13.970 -1.036 3.124 887 H GLU 23 H GLU 23 17.694 1.655 3.262 888 HA GLU 23 HA GLU 23 18.447 2.891 5.618 889 1HB GLU 23 2HB GLU 23 19.405 3.649 2.853 890 2HB GLU 23 1HB GLU 23 20.263 3.907 4.367 891 1HG GLU 23 2HG GLU 23 20.728 1.637 4.628 892 2HG GLU 23 1HG GLU 23 19.500 1.158 3.458 893 H CYS 24 H CYS 24 16.884 4.286 2.777 894 HA CYS 24 HA CYS 24 16.977 6.978 3.662 895 1HB CYS 24 2HB CYS 24 16.587 6.413 1.311 896 2HB CYS 24 1HB CYS 24 15.071 5.627 1.735 897 HG CYS 24 HG CYS 24 14.107 7.820 1.202 898 H ALA 25 H ALA 25 14.673 4.350 4.092 899 HA ALA 25 HA ALA 25 12.658 5.934 5.347 900 1HB ALA 25 1HB ALA 25 12.989 3.009 5.898 901 2HB ALA 25 2HB ALA 25 12.489 3.546 4.294 902 3HB ALA 25 3HB ALA 25 11.509 3.950 5.704 903 H THR 26 H THR 26 15.555 4.336 6.251 904 HA THR 26 HA THR 26 15.183 4.350 9.071 905 HB THR 26 HB THR 26 17.829 4.391 7.628 906 HG1 THR 26 1HG THR 26 15.842 2.552 7.428 907 1HG2 THR 26 1HG2 THR 26 18.602 4.056 9.664 908 2HG2 THR 26 2HG2 THR 26 17.853 2.461 9.594 909 3HG2 THR 26 3HG2 THR 26 16.984 3.814 10.319 910 H GLN 27 H GLN 27 16.766 6.469 6.723 911 HA GLN 27 HA GLN 27 17.929 8.305 8.438 912 1HB GLN 27 2HB GLN 27 16.580 9.210 5.918 913 2HB GLN 27 1HB GLN 27 18.107 9.742 6.606 914 1HG GLN 27 2HG GLN 27 18.973 7.410 6.098 915 2HG GLN 27 1HG GLN 27 17.517 7.203 5.126 916 1HE2 GLN 27 1HE2 GLN 27 17.173 9.461 3.829 917 2HE2 GLN 27 2HE2 GLN 27 18.534 9.861 2.844 918 H ALA 28 H ALA 28 14.663 8.244 7.085 919 HA ALA 28 HA ALA 28 13.807 10.571 8.537 920 1HB ALA 28 1HB ALA 28 11.648 10.166 7.596 921 2HB ALA 28 2HB ALA 28 12.074 8.504 7.191 922 3HB ALA 28 3HB ALA 28 12.847 9.844 6.344 923 H LEU 29 H LEU 29 14.080 7.223 9.197 924 HA LEU 29 HA LEU 29 12.056 7.053 11.202 925 1HB LEU 29 2HB LEU 29 14.308 5.311 10.315 926 2HB LEU 29 1HB LEU 29 13.486 4.965 11.827 927 HG LEU 29 HG LEU 29 11.820 5.360 9.394 928 1HD1 LEU 29 1HD1 LEU 29 12.088 2.871 8.986 929 2HD1 LEU 29 2HD1 LEU 29 13.569 2.987 9.937 930 3HD1 LEU 29 3HD1 LEU 29 13.402 3.917 8.448 931 1HD2 LEU 29 1HD2 LEU 29 10.423 4.911 11.121 932 2HD2 LEU 29 2HD2 LEU 29 11.650 4.026 12.028 933 3HD2 LEU 29 3HD2 LEU 29 10.813 3.247 10.686 934 H GLU 30 H GLU 30 15.542 7.613 11.213 935 HA GLU 30 HA GLU 30 15.671 7.694 14.097 936 1HB GLU 30 2HB GLU 30 17.525 7.395 11.960 937 2HB GLU 30 1HB GLU 30 18.013 8.797 12.902 938 1HG GLU 30 2HG GLU 30 17.297 6.334 14.381 939 2HG GLU 30 1HG GLU 30 18.812 6.342 13.481 940 H LYS 31 H LYS 31 15.434 9.970 11.454 941 HA LYS 31 HA LYS 31 16.055 12.254 13.104 942 1HB LYS 31 2HB LYS 31 15.457 11.758 10.258 943 2HB LYS 31 1HB LYS 31 14.928 13.316 10.875 944 1HG LYS 31 2HG LYS 31 17.018 14.107 11.023 945 2HG LYS 31 1HG LYS 31 17.664 12.576 11.621 946 1HD LYS 31 2HD LYS 31 17.564 11.672 9.328 947 2HD LYS 31 1HD LYS 31 16.991 13.239 8.754 948 1HE LYS 31 2HE LYS 31 19.238 13.923 10.153 949 2HE LYS 31 1HE LYS 31 19.692 12.364 9.464 950 1HZ LYS 31 1HZ LYS 31 19.432 13.147 7.316 951 2HZ LYS 31 2HZ LYS 31 20.126 14.471 8.104 952 3HZ LYS 31 3HZ LYS 31 18.467 14.456 7.782 953 H TYR 32 H TYR 32 13.193 10.613 11.930 954 HA TYR 32 HA TYR 32 11.575 12.199 13.764 955 1HB TYR 32 2HB TYR 32 10.195 11.729 11.222 956 2HB TYR 32 1HB TYR 32 10.248 13.176 12.224 957 HD1 TYR 32 1HD TYR 32 12.631 11.228 10.089 958 HD2 TYR 32 2HD TYR 32 11.113 15.044 11.198 959 HE1 TYR 32 1HE TYR 32 14.121 12.288 8.449 960 HE2 TYR 32 2HE TYR 32 12.601 16.116 9.562 961 HH TYR 32 HH TYR 32 15.201 14.692 8.229 962 H ASN 33 H ASN 33 9.505 11.211 14.260 963 HA ASN 33 HA ASN 33 9.446 8.332 13.646 964 1HB ASN 33 2HB ASN 33 8.296 8.210 15.994 965 2HB ASN 33 1HB ASN 33 10.052 8.293 15.885 966 1HD2 ASN 33 1HD2 ASN 33 7.363 10.617 15.820 967 2HD2 ASN 33 2HD2 ASN 33 8.040 11.687 16.996 968 H ILE 34 H ILE 34 8.064 10.551 12.335 969 HA ILE 34 HA ILE 34 5.270 9.930 13.027 970 HB ILE 34 HB ILE 34 6.031 12.149 11.169 971 1HG1 ILE 34 2HG1 ILE 34 7.424 12.593 13.073 972 2HG1 ILE 34 1HG1 ILE 34 6.040 13.681 13.147 973 1HG2 ILE 34 1HG2 ILE 34 3.638 11.156 11.976 974 2HG2 ILE 34 2HG2 ILE 34 3.896 12.799 11.390 975 3HG2 ILE 34 3HG2 ILE 34 3.875 12.474 13.123 976 1HD1 ILE 34 1HD1 ILE 34 6.942 11.742 15.049 977 2HD1 ILE 34 2HD1 ILE 34 5.277 11.413 14.570 978 3HD1 ILE 34 3HD1 ILE 34 5.712 12.995 15.216 979 H GLU 35 H GLU 35 4.567 8.270 11.839 980 HA GLU 35 HA GLU 35 5.448 7.031 9.687 981 1HB GLU 35 2HB GLU 35 2.561 7.785 9.532 982 2HB GLU 35 1HB GLU 35 3.323 6.222 9.269 983 1HG GLU 35 2HG GLU 35 3.132 5.631 11.413 984 2HG GLU 35 1HG GLU 35 3.596 7.229 11.996 985 H LYS 36 H LYS 36 3.012 9.567 9.073 986 HA LYS 36 HA LYS 36 3.461 9.840 6.376 987 1HB LYS 36 2HB LYS 36 2.941 12.420 7.624 988 2HB LYS 36 1HB LYS 36 1.943 11.489 6.517 989 1HG LYS 36 2HG LYS 36 1.709 10.077 8.852 990 2HG LYS 36 1HG LYS 36 1.791 11.748 9.414 991 1HD LYS 36 2HD LYS 36 0.087 11.923 7.273 992 2HD LYS 36 1HD LYS 36 -0.331 10.355 7.965 993 1HE LYS 36 2HE LYS 36 -1.572 11.446 9.455 994 2HE LYS 36 1HE LYS 36 -0.071 12.047 10.158 995 1HZ LYS 36 1HZ LYS 36 -0.272 14.056 9.094 996 2HZ LYS 36 2HZ LYS 36 -1.895 13.702 9.409 997 3HZ LYS 36 3HZ LYS 36 -1.260 13.448 7.862 998 H ASP 37 H ASP 37 4.915 11.829 8.961 999 HA ASP 37 HA ASP 37 6.535 13.472 7.498 1000 1HB ASP 37 2HB ASP 37 6.815 12.213 10.196 1001 2HB ASP 37 1HB ASP 37 8.185 13.099 9.535 1002 H ILE 38 H ILE 38 7.694 10.431 8.938 1003 HA ILE 38 HA ILE 38 10.131 10.217 7.761 1004 HB ILE 38 HB ILE 38 8.230 7.893 8.094 1005 1HG1 ILE 38 2HG1 ILE 38 10.188 8.489 10.216 1006 2HG1 ILE 38 1HG1 ILE 38 8.888 9.666 10.058 1007 1HG2 ILE 38 1HG2 ILE 38 10.998 7.412 8.743 1008 2HG2 ILE 38 2HG2 ILE 38 10.825 7.997 7.089 1009 3HG2 ILE 38 3HG2 ILE 38 9.944 6.563 7.613 1010 1HD1 ILE 38 1HD1 ILE 38 8.239 6.760 10.169 1011 2HD1 ILE 38 2HD1 ILE 38 7.267 8.150 10.653 1012 3HD1 ILE 38 3HD1 ILE 38 8.626 7.635 11.650 1013 H ALA 39 H ALA 39 7.131 8.847 6.392 1014 HA ALA 39 HA ALA 39 8.196 7.925 3.998 1015 1HB ALA 39 1HB ALA 39 5.470 9.018 3.830 1016 2HB ALA 39 2HB ALA 39 5.745 7.857 5.128 1017 3HB ALA 39 3HB ALA 39 6.074 7.405 3.455 1018 H ALA 40 H ALA 40 7.006 11.137 4.842 1019 HA ALA 40 HA ALA 40 6.945 12.279 2.301 1020 1HB ALA 40 1HB ALA 40 6.400 13.166 4.798 1021 2HB ALA 40 2HB ALA 40 6.504 14.204 3.377 1022 3HB ALA 40 3HB ALA 40 7.891 14.041 4.454 1023 H HIS 41 H HIS 41 9.566 12.528 4.702 1024 HA HIS 41 HA HIS 41 11.424 13.788 3.050 1025 1HB HIS 41 2HB HIS 41 12.500 11.884 5.039 1026 2HB HIS 41 1HB HIS 41 12.851 13.594 4.809 1027 HD1 HIS 41 1HD HIS 41 12.109 12.049 7.554 1028 HD2 HIS 41 2HD HIS 41 9.667 14.571 5.332 1029 HE1 HIS 41 1HE HIS 41 10.379 12.903 9.167 1030 HE2 HIS 41 2HE HIS 41 8.950 14.476 7.815 1031 H ILE 42 H ILE 42 10.635 10.388 3.423 1032 HA ILE 42 HA ILE 42 12.880 9.342 2.064 1033 HB ILE 42 HB ILE 42 10.123 8.126 2.278 1034 1HG1 ILE 42 2HG1 ILE 42 12.520 7.690 4.068 1035 2HG1 ILE 42 1HG1 ILE 42 11.180 8.759 4.467 1036 1HG2 ILE 42 1HG2 ILE 42 11.026 6.646 0.857 1037 2HG2 ILE 42 2HG2 ILE 42 11.908 6.072 2.273 1038 3HG2 ILE 42 3HG2 ILE 42 12.670 7.209 1.162 1039 1HD1 ILE 42 1HD1 ILE 42 10.107 7.042 5.347 1040 2HD1 ILE 42 2HD1 ILE 42 11.417 5.959 4.877 1041 3HD1 ILE 42 3HD1 ILE 42 10.078 6.256 3.768 1042 H LYS 43 H LYS 43 9.521 9.376 0.853 1043 HA LYS 43 HA LYS 43 9.999 8.830 -1.772 1044 1HB LYS 43 2HB LYS 43 7.747 9.072 -0.806 1045 2HB LYS 43 1HB LYS 43 7.968 10.815 -0.732 1046 1HG LYS 43 2HG LYS 43 8.350 9.550 -3.372 1047 2HG LYS 43 1HG LYS 43 6.705 9.580 -2.734 1048 1HD LYS 43 2HD LYS 43 6.569 11.864 -2.821 1049 2HD LYS 43 1HD LYS 43 8.306 12.083 -2.601 1050 1HE LYS 43 2HE LYS 43 8.143 12.643 -4.803 1051 2HE LYS 43 1HE LYS 43 8.379 10.904 -4.972 1052 1HZ LYS 43 1HZ LYS 43 6.515 11.910 -6.305 1053 2HZ LYS 43 2HZ LYS 43 5.689 12.137 -4.846 1054 3HZ LYS 43 3HZ LYS 43 6.096 10.576 -5.351 1055 H LYS 44 H LYS 44 10.364 11.941 -0.160 1056 HA LYS 44 HA LYS 44 10.847 13.439 -2.531 1057 1HB LYS 44 2HB LYS 44 11.201 13.933 0.397 1058 2HB LYS 44 1HB LYS 44 11.937 15.038 -0.757 1059 1HG LYS 44 2HG LYS 44 9.044 14.342 -0.996 1060 2HG LYS 44 1HG LYS 44 9.577 15.537 0.188 1061 1HD LYS 44 2HD LYS 44 10.630 16.839 -1.586 1062 2HD LYS 44 1HD LYS 44 10.138 15.633 -2.777 1063 1HE LYS 44 2HE LYS 44 7.819 16.118 -2.397 1064 2HE LYS 44 1HE LYS 44 8.215 17.180 -1.045 1065 1HZ LYS 44 1HZ LYS 44 7.767 18.061 -3.504 1066 2HZ LYS 44 2HZ LYS 44 9.441 17.838 -3.598 1067 3HZ LYS 44 3HZ LYS 44 8.789 18.856 -2.415 1068 H GLU 45 H GLU 45 13.000 12.185 -0.002 1069 HA GLU 45 HA GLU 45 15.406 13.012 -1.202 1070 1HB GLU 45 2HB GLU 45 14.691 10.963 0.866 1071 2HB GLU 45 1HB GLU 45 16.331 11.026 0.236 1072 1HG GLU 45 2HG GLU 45 15.739 13.660 0.852 1073 2HG GLU 45 1HG GLU 45 15.019 12.730 2.166 1074 H PHE 46 H PHE 46 13.318 10.321 -1.813 1075 HA PHE 46 HA PHE 46 15.257 8.723 -3.191 1076 1HB PHE 46 2HB PHE 46 12.524 8.453 -2.362 1077 2HB PHE 46 1HB PHE 46 12.654 8.035 -4.068 1078 HD1 PHE 46 1HD PHE 46 13.121 5.856 -4.588 1079 HD2 PHE 46 2HD PHE 46 14.464 7.415 -0.865 1080 HE1 PHE 46 1HE PHE 46 13.993 3.637 -3.978 1081 HE2 PHE 46 2HE PHE 46 15.338 5.200 -0.248 1082 HZ PHE 46 HZ PHE 46 15.102 3.307 -1.805 1083 H ASP 47 H ASP 47 12.599 10.854 -4.199 1084 HA ASP 47 HA ASP 47 13.006 10.532 -6.975 1085 1HB ASP 47 2HB ASP 47 11.448 12.263 -7.266 1086 2HB ASP 47 1HB ASP 47 10.973 11.529 -5.738 1087 H LYS 48 H LYS 48 14.591 12.404 -4.556 1088 HA LYS 48 HA LYS 48 15.907 14.124 -6.493 1089 1HB LYS 48 2HB LYS 48 16.268 15.527 -4.768 1090 2HB LYS 48 1HB LYS 48 15.128 14.517 -3.895 1091 1HG LYS 48 2HG LYS 48 16.775 14.433 -2.375 1092 2HG LYS 48 1HG LYS 48 17.414 13.168 -3.427 1093 1HD LYS 48 2HD LYS 48 18.139 15.952 -4.111 1094 2HD LYS 48 1HD LYS 48 18.852 15.291 -2.640 1095 1HE LYS 48 2HE LYS 48 19.033 13.315 -4.670 1096 2HE LYS 48 1HE LYS 48 19.609 14.841 -5.343 1097 1HZ LYS 48 1HZ LYS 48 20.742 13.202 -3.222 1098 2HZ LYS 48 2HZ LYS 48 20.842 14.876 -3.005 1099 3HZ LYS 48 3HZ LYS 48 21.516 14.160 -4.381 1100 H LYS 49 H LYS 49 16.704 11.526 -4.241 1101 HA LYS 49 HA LYS 49 19.477 11.483 -5.041 1102 1HB LYS 49 2HB LYS 49 18.324 10.830 -2.736 1103 2HB LYS 49 1HB LYS 49 18.248 9.249 -3.500 1104 1HG LYS 49 2HG LYS 49 20.747 9.548 -3.948 1105 2HG LYS 49 1HG LYS 49 20.664 10.868 -2.780 1106 1HD LYS 49 2HD LYS 49 20.197 9.454 -1.018 1107 2HD LYS 49 1HD LYS 49 19.523 8.203 -2.064 1108 1HE LYS 49 2HE LYS 49 21.479 7.156 -2.078 1109 2HE LYS 49 1HE LYS 49 22.239 8.579 -2.788 1110 1HZ LYS 49 1HZ LYS 49 23.045 9.256 -0.801 1111 2HZ LYS 49 2HZ LYS 49 22.973 7.601 -0.459 1112 3HZ LYS 49 3HZ LYS 49 21.748 8.631 0.088 1113 H TYR 50 H TYR 50 16.578 10.164 -6.207 1114 HA TYR 50 HA TYR 50 18.097 8.261 -7.857 1115 1HB TYR 50 2HB TYR 50 15.344 7.825 -6.682 1116 2HB TYR 50 1HB TYR 50 16.153 6.738 -7.807 1117 HD1 TYR 50 1HD TYR 50 15.413 7.225 -4.461 1118 HD2 TYR 50 2HD TYR 50 18.650 6.098 -6.982 1119 HE1 TYR 50 1HE TYR 50 16.476 6.068 -2.568 1120 HE2 TYR 50 2HE TYR 50 19.721 4.937 -5.097 1121 HH TYR 50 HH TYR 50 19.549 5.262 -2.396 1122 H ASN 51 H ASN 51 14.716 9.393 -7.758 1123 HA ASN 51 HA ASN 51 14.514 11.210 -9.691 1124 1HB ASN 51 2HB ASN 51 15.733 10.014 -11.338 1125 2HB ASN 51 1HB ASN 51 14.890 8.509 -10.983 1126 1HD2 ASN 51 1HD2 ASN 51 13.369 11.642 -11.311 1127 2HD2 ASN 51 2HD2 ASN 51 12.495 11.280 -12.756 1128 HA PRO 52 HA PRO 52 10.408 10.266 -8.172 1129 1HB PRO 52 2HB PRO 52 9.162 12.288 -9.573 1130 2HB PRO 52 1HB PRO 52 9.953 12.489 -8.007 1131 1HG PRO 52 2HG PRO 52 11.001 13.075 -10.747 1132 2HG PRO 52 1HG PRO 52 11.166 14.024 -9.258 1133 1HD PRO 52 2HD PRO 52 13.175 12.504 -10.158 1134 2HD PRO 52 1HD PRO 52 12.841 12.647 -8.418 1135 H THR 53 H THR 53 8.176 9.119 -10.744 1136 HA THR 53 HA THR 53 8.512 10.570 -8.215 1137 HB THR 53 HB THR 53 6.671 11.199 -9.928 1138 HG1 THR 53 1HG THR 53 5.181 11.503 -8.107 1139 1HG2 THR 53 1HG2 THR 53 5.935 8.543 -9.560 1140 2HG2 THR 53 2HG2 THR 53 5.014 9.812 -10.369 1141 3HG2 THR 53 3HG2 THR 53 4.753 9.488 -8.655 1142 H TRP 54 H TRP 54 8.588 9.457 -6.399 1143 HA TRP 54 HA TRP 54 8.027 6.597 -6.485 1144 1HB TRP 54 2HB TRP 54 9.377 8.266 -4.359 1145 2HB TRP 54 1HB TRP 54 9.231 6.512 -4.343 1146 HD1 TRP 54 HD TRP 54 10.816 9.251 -6.592 1147 HE1 TRP 54 1HE TRP 54 12.982 8.286 -7.588 1148 HE3 TRP 54 3HE TRP 54 10.524 4.516 -4.705 1149 HZ2 TRP 54 2HZ TRP 54 14.393 5.828 -7.565 1150 HZ3 TRP 54 3HZ TRP 54 12.312 2.915 -5.233 1151 HH2 TRP 54 HH TRP 54 14.206 3.553 -6.632 1152 H HIS 55 H HIS 55 7.167 5.632 -4.470 1153 HA HIS 55 HA HIS 55 5.063 7.253 -3.207 1154 1HB HIS 55 2HB HIS 55 4.729 4.413 -4.216 1155 2HB HIS 55 1HB HIS 55 3.514 5.348 -3.352 1156 HD1 HIS 55 1HD HIS 55 1.749 5.829 -5.022 1157 HD2 HIS 55 2HD HIS 55 5.557 6.414 -6.578 1158 HE1 HIS 55 1HE HIS 55 1.395 6.749 -7.335 1159 HE2 HIS 55 2HE HIS 55 3.714 7.167 -8.229 1160 H CYS 56 H CYS 56 6.139 7.434 -1.287 1161 HA CYS 56 HA CYS 56 7.102 4.969 -0.025 1162 1HB CYS 56 2HB CYS 56 7.695 7.856 0.635 1163 2HB CYS 56 1HB CYS 56 8.361 6.467 1.485 1164 HG CYS 56 HG CYS 56 9.012 6.523 -1.500 1165 H ILE 57 H ILE 57 5.994 4.060 1.512 1166 HA ILE 57 HA ILE 57 4.241 5.726 3.191 1167 HB ILE 57 HB ILE 57 3.591 2.959 2.181 1168 1HG1 ILE 57 2HG1 ILE 57 2.647 5.723 1.440 1169 2HG1 ILE 57 1HG1 ILE 57 3.247 4.451 0.383 1170 1HG2 ILE 57 1HG2 ILE 57 1.943 2.836 3.700 1171 2HG2 ILE 57 2HG2 ILE 57 1.496 4.528 3.486 1172 3HG2 ILE 57 3HG2 ILE 57 2.830 4.099 4.556 1173 1HD1 ILE 57 1HD1 ILE 57 1.224 3.576 0.119 1174 2HD1 ILE 57 2HD1 ILE 57 0.635 5.106 0.770 1175 3HD1 ILE 57 3HD1 ILE 57 0.836 3.713 1.833 1176 H VAL 58 H VAL 58 5.177 5.754 5.115 1177 HA VAL 58 HA VAL 58 6.376 3.270 6.135 1178 HB VAL 58 HB VAL 58 8.078 4.883 6.059 1179 1HG1 VAL 58 1HG1 VAL 58 5.943 6.723 6.338 1180 2HG1 VAL 58 2HG1 VAL 58 7.626 7.043 5.916 1181 3HG1 VAL 58 3HG1 VAL 58 7.122 7.060 7.606 1182 1HG2 VAL 58 1HG2 VAL 58 7.300 3.816 8.457 1183 2HG2 VAL 58 2HG2 VAL 58 7.459 5.530 8.841 1184 3HG2 VAL 58 3HG2 VAL 58 8.825 4.649 8.158 1185 H GLY 59 H GLY 59 5.256 2.242 7.622 1186 1HA GLY 59 2HA GLY 59 3.766 3.802 9.617 1187 2HA GLY 59 1HA GLY 59 2.945 2.515 8.744 1188 H ARG 60 H ARG 60 2.717 0.799 10.016 1189 HA ARG 60 HA ARG 60 4.953 -0.555 11.095 1190 1HB ARG 60 2HB ARG 60 3.811 -0.337 13.492 1191 2HB ARG 60 1HB ARG 60 5.081 0.746 12.941 1192 1HG ARG 60 2HG ARG 60 2.734 1.906 12.026 1193 2HG ARG 60 1HG ARG 60 2.345 1.323 13.644 1194 1HD ARG 60 2HD ARG 60 4.782 2.973 13.002 1195 2HD ARG 60 1HD ARG 60 3.250 3.662 13.539 1196 HE ARG 60 HE ARG 60 3.548 2.372 15.613 1197 1HH1 ARG 60 1HH1 ARG 60 6.324 2.959 13.594 1198 2HH1 ARG 60 2HH1 ARG 60 7.464 2.783 14.886 1199 1HH2 ARG 60 1HH2 ARG 60 5.040 2.140 17.322 1200 2HH2 ARG 60 2HH2 ARG 60 6.733 2.317 17.006 1201 H ASN 61 H ASN 61 2.097 -0.606 9.738 1202 HA ASN 61 HA ASN 61 1.561 -3.256 9.852 1203 1HB ASN 61 2HB ASN 61 1.239 -2.466 12.408 1204 2HB ASN 61 1HB ASN 61 -0.397 -2.196 11.812 1205 1HD2 ASN 61 1HD2 ASN 61 -0.572 -4.255 9.968 1206 2HD2 ASN 61 2HD2 ASN 61 -0.565 -5.763 10.811 1207 H PHE 62 H PHE 62 1.216 -0.878 8.237 1208 HA PHE 62 HA PHE 62 -1.630 -0.488 7.933 1209 1HB PHE 62 2HB PHE 62 -1.010 1.008 6.095 1210 2HB PHE 62 1HB PHE 62 -0.074 1.370 7.540 1211 HD1 PHE 62 1HD PHE 62 2.295 0.513 7.688 1212 HD2 PHE 62 2HD PHE 62 0.042 0.463 4.077 1213 HE1 PHE 62 1HE PHE 62 4.377 0.286 6.398 1214 HE2 PHE 62 2HE PHE 62 2.121 0.234 2.779 1215 HZ PHE 62 HZ PHE 62 4.292 0.145 3.940 1216 H GLY 63 H GLY 63 -2.472 -0.590 5.583 1217 1HA GLY 63 2HA GLY 63 -1.642 -3.174 4.412 1218 2HA GLY 63 1HA GLY 63 -3.323 -2.670 4.522 1219 H SER 64 H SER 64 -0.206 -1.813 3.084 1220 HA SER 64 HA SER 64 -1.318 0.044 1.232 1221 1HB SER 64 2HB SER 64 0.871 0.213 0.312 1222 2HB SER 64 1HB SER 64 1.085 -0.008 2.049 1223 HG SER 64 HG SER 64 2.402 -1.346 0.533 1224 H TYR 65 H TYR 65 -2.388 -0.356 -0.560 1225 HA TYR 65 HA TYR 65 -1.838 -2.824 -2.052 1226 1HB TYR 65 2HB TYR 65 -3.971 -2.914 -0.602 1227 2HB TYR 65 1HB TYR 65 -4.641 -1.762 -1.753 1228 HD1 TYR 65 1HD TYR 65 -5.350 -2.457 -3.922 1229 HD2 TYR 65 2HD TYR 65 -3.341 -5.194 -1.359 1230 HE1 TYR 65 1HE TYR 65 -5.981 -4.307 -5.414 1231 HE2 TYR 65 2HE TYR 65 -3.965 -7.052 -2.843 1232 HH TYR 65 HH TYR 65 -6.172 -6.608 -5.517 1233 H VAL 66 H VAL 66 -0.550 -1.303 -3.309 1234 HA VAL 66 HA VAL 66 -2.189 0.379 -5.089 1235 HB VAL 66 HB VAL 66 -0.308 1.803 -5.446 1236 1HG1 VAL 66 1HG1 VAL 66 -1.111 1.178 -2.682 1237 2HG1 VAL 66 2HG1 VAL 66 -1.154 2.707 -3.561 1238 3HG1 VAL 66 3HG1 VAL 66 0.357 2.139 -2.852 1239 1HG2 VAL 66 1HG2 VAL 66 1.735 1.035 -3.781 1240 2HG2 VAL 66 2HG2 VAL 66 1.690 0.803 -5.530 1241 3HG2 VAL 66 3HG2 VAL 66 1.181 -0.499 -4.454 1242 H THR 67 H THR 67 -1.318 0.624 -7.310 1243 HA THR 67 HA THR 67 -0.480 -1.985 -8.332 1244 HB THR 67 HB THR 67 -1.708 0.440 -9.640 1245 HG1 THR 67 1HG THR 67 -2.644 -2.221 -9.614 1246 1HG2 THR 67 1HG2 THR 67 0.016 -0.776 -11.098 1247 2HG2 THR 67 2HG2 THR 67 -1.602 -0.511 -11.749 1248 3HG2 THR 67 3HG2 THR 67 -1.154 -2.096 -11.120 1249 H HIS 68 H HIS 68 1.707 -1.536 -7.454 1250 HA HIS 68 HA HIS 68 3.419 0.466 -8.153 1251 1HB HIS 68 2HB HIS 68 5.247 -1.112 -7.838 1252 2HB HIS 68 1HB HIS 68 3.994 -1.387 -6.632 1253 HD1 HIS 68 1HD HIS 68 2.086 -3.149 -8.304 1254 HD2 HIS 68 2HD HIS 68 6.208 -3.643 -8.143 1255 HE1 HIS 68 1HE HIS 68 2.500 -5.547 -8.937 1256 HE2 HIS 68 2HE HIS 68 5.002 -5.826 -8.830 1257 H GLU 69 H GLU 69 5.472 -0.053 -9.611 1258 HA GLU 69 HA GLU 69 5.188 -1.387 -12.044 1259 1HB GLU 69 2HB GLU 69 5.067 1.037 -13.286 1260 2HB GLU 69 1HB GLU 69 3.700 -0.050 -13.084 1261 1HG GLU 69 2HG GLU 69 3.653 1.315 -10.737 1262 2HG GLU 69 1HG GLU 69 4.246 2.546 -11.853 1263 H THR 70 H THR 70 6.714 -0.135 -13.781 1264 HA THR 70 HA THR 70 8.882 0.349 -14.280 1265 HB THR 70 HB THR 70 9.358 1.959 -11.862 1266 HG1 THR 70 1HG THR 70 6.931 1.984 -12.796 1267 1HG2 THR 70 1HG2 THR 70 9.692 3.742 -13.612 1268 2HG2 THR 70 2HG2 THR 70 9.459 2.472 -14.814 1269 3HG2 THR 70 3HG2 THR 70 10.798 2.369 -13.670 1270 H LYS 71 H LYS 71 10.356 1.128 -11.443 1271 HA LYS 71 HA LYS 71 11.869 -1.285 -11.384 1272 1HB LYS 71 2HB LYS 71 13.323 -0.144 -10.071 1273 2HB LYS 71 1HB LYS 71 12.409 1.245 -10.634 1274 1HG LYS 71 2HG LYS 71 11.474 -0.118 -8.169 1275 2HG LYS 71 1HG LYS 71 12.943 0.856 -8.077 1276 1HD LYS 71 2HD LYS 71 11.746 2.726 -8.040 1277 2HD LYS 71 1HD LYS 71 10.944 2.280 -9.548 1278 1HE LYS 71 2HE LYS 71 10.113 1.195 -6.867 1279 2HE LYS 71 1HE LYS 71 9.438 2.674 -7.551 1280 1HZ LYS 71 1HZ LYS 71 9.303 -0.039 -8.752 1281 2HZ LYS 71 2HZ LYS 71 8.726 1.371 -9.487 1282 3HZ LYS 71 3HZ LYS 71 8.020 0.816 -8.053 1283 H HIS 72 H HIS 72 8.885 -1.226 -10.706 1284 HA HIS 72 HA HIS 72 7.494 -2.505 -9.435 1285 1HB HIS 72 2HB HIS 72 10.154 -3.665 -8.684 1286 2HB HIS 72 1HB HIS 72 8.713 -4.148 -7.797 1287 HD1 HIS 72 1HD HIS 72 6.826 -4.136 -10.367 1288 HD2 HIS 72 2HD HIS 72 10.479 -6.082 -9.991 1289 HE1 HIS 72 1HE HIS 72 6.774 -5.996 -12.058 1290 HE2 HIS 72 2HE HIS 72 8.986 -7.176 -11.796 1291 H PHE 73 H PHE 73 9.928 -2.548 -6.925 1292 HA PHE 73 HA PHE 73 9.654 -0.307 -5.489 1293 1HB PHE 73 2HB PHE 73 7.742 -0.534 -4.009 1294 2HB PHE 73 1HB PHE 73 7.188 -0.545 -5.680 1295 HD1 PHE 73 1HD PHE 73 6.566 -1.940 -2.650 1296 HD2 PHE 73 2HD PHE 73 7.332 -3.129 -6.664 1297 HE1 PHE 73 1HE PHE 73 5.396 -4.065 -2.240 1298 HE2 PHE 73 2HE PHE 73 6.164 -5.256 -6.261 1299 HZ PHE 73 HZ PHE 73 5.194 -5.726 -4.047 1300 H ILE 74 H ILE 74 9.113 -1.101 -2.882 1301 HA ILE 74 HA ILE 74 10.341 -3.612 -2.288 1302 HB ILE 74 HB ILE 74 12.347 -2.274 -2.852 1303 1HG1 ILE 74 2HG1 ILE 74 11.798 -3.531 -0.225 1304 2HG1 ILE 74 1HG1 ILE 74 12.977 -3.963 -1.451 1305 1HG2 ILE 74 1HG2 ILE 74 12.422 -0.137 -2.257 1306 2HG2 ILE 74 2HG2 ILE 74 12.629 -0.653 -0.583 1307 3HG2 ILE 74 3HG2 ILE 74 11.013 -0.333 -1.213 1308 1HD1 ILE 74 1HD1 ILE 74 13.359 -2.593 1.006 1309 2HD1 ILE 74 2HD1 ILE 74 13.814 -1.519 -0.318 1310 3HD1 ILE 74 3HD1 ILE 74 14.562 -3.111 -0.176 1311 H TYR 75 H TYR 75 9.206 -4.277 -0.621 1312 HA TYR 75 HA TYR 75 8.291 -2.317 1.374 1313 1HB TYR 75 2HB TYR 75 6.650 -3.843 0.050 1314 2HB TYR 75 1HB TYR 75 7.215 -5.115 1.128 1315 HD1 TYR 75 1HD TYR 75 4.575 -3.064 0.661 1316 HD2 TYR 75 2HD TYR 75 7.375 -4.027 3.717 1317 HE1 TYR 75 1HE TYR 75 2.960 -2.329 2.364 1318 HE2 TYR 75 2HE TYR 75 5.767 -3.295 5.429 1319 HH TYR 75 HH TYR 75 2.563 -2.046 4.528 1320 H PHE 76 H PHE 76 8.916 -2.495 3.456 1321 HA PHE 76 HA PHE 76 10.081 -4.953 4.454 1322 1HB PHE 76 2HB PHE 76 12.107 -3.550 5.292 1323 2HB PHE 76 1HB PHE 76 12.105 -4.148 3.636 1324 HD1 PHE 76 1HD PHE 76 12.229 -1.257 5.752 1325 HD2 PHE 76 2HD PHE 76 11.445 -2.579 1.783 1326 HE1 PHE 76 1HE PHE 76 12.546 1.040 4.929 1327 HE2 PHE 76 2HE PHE 76 11.762 -0.284 0.953 1328 HZ PHE 76 HZ PHE 76 12.313 1.528 2.526 1329 H TYR 77 H TYR 77 10.668 -4.757 6.789 1330 HA TYR 77 HA TYR 77 9.009 -2.738 8.146 1331 1HB TYR 77 2HB TYR 77 7.782 -4.783 8.281 1332 2HB TYR 77 1HB TYR 77 9.224 -5.695 8.712 1333 HD1 TYR 77 1HD TYR 77 6.523 -3.601 9.930 1334 HD2 TYR 77 2HD TYR 77 10.204 -5.458 10.976 1335 HE1 TYR 77 1HE TYR 77 6.000 -3.280 12.310 1336 HE2 TYR 77 2HE TYR 77 9.693 -5.143 13.359 1337 HH TYR 77 HH TYR 77 7.656 -4.842 14.782 1338 H LEU 78 H LEU 78 10.392 -1.415 9.144 1339 HA LEU 78 HA LEU 78 12.993 -2.190 9.989 1340 1HB LEU 78 2HB LEU 78 11.332 0.254 10.578 1341 2HB LEU 78 1HB LEU 78 12.979 0.054 11.136 1342 HG LEU 78 HG LEU 78 12.545 1.452 9.014 1343 1HD1 LEU 78 1HD1 LEU 78 14.733 1.258 8.696 1344 2HD1 LEU 78 2HD1 LEU 78 14.594 -0.437 8.228 1345 3HD1 LEU 78 3HD1 LEU 78 14.704 0.001 9.933 1346 1HD2 LEU 78 1HD2 LEU 78 12.906 -0.867 7.319 1347 2HD2 LEU 78 2HD2 LEU 78 11.792 0.490 7.154 1348 3HD2 LEU 78 3HD2 LEU 78 11.351 -0.895 8.151 1349 H GLY 79 H GLY 79 13.713 -1.710 12.315 1350 1HA GLY 79 2HA GLY 79 13.108 -3.535 14.101 1351 2HA GLY 79 1HA GLY 79 13.366 -1.881 14.634 1352 H GLN 80 H GLN 80 10.973 -0.786 13.501 1353 HA GLN 80 HA GLN 80 8.739 -2.263 14.559 1354 1HB GLN 80 2HB GLN 80 9.755 -1.261 16.600 1355 2HB GLN 80 1HB GLN 80 9.513 0.334 15.898 1356 1HG GLN 80 2HG GLN 80 7.311 0.347 16.345 1357 2HG GLN 80 1HG GLN 80 7.123 -1.375 16.019 1358 1HE2 GLN 80 1HE2 GLN 80 7.899 -2.860 17.675 1359 2HE2 GLN 80 2HE2 GLN 80 7.798 -2.389 19.335 1360 H VAL 81 H VAL 81 9.282 -1.315 12.003 1361 HA VAL 81 HA VAL 81 6.949 0.319 11.556 1362 HB VAL 81 HB VAL 81 9.693 1.353 10.840 1363 1HG1 VAL 81 1HG1 VAL 81 7.442 3.085 10.215 1364 2HG1 VAL 81 2HG1 VAL 81 7.428 1.591 9.282 1365 3HG1 VAL 81 3HG1 VAL 81 8.838 2.646 9.231 1366 1HG2 VAL 81 1HG2 VAL 81 9.453 2.282 12.869 1367 2HG2 VAL 81 2HG2 VAL 81 7.716 1.983 12.910 1368 3HG2 VAL 81 3HG2 VAL 81 8.349 3.385 12.048 1369 H ALA 82 H ALA 82 6.544 0.623 9.195 1370 HA ALA 82 HA ALA 82 7.846 -1.429 7.544 1371 1HB ALA 82 1HB ALA 82 4.954 -1.065 7.101 1372 2HB ALA 82 2HB ALA 82 5.406 -1.873 8.601 1373 3HB ALA 82 3HB ALA 82 5.937 -2.529 7.053 1374 H ILE 83 H ILE 83 8.787 -0.348 5.937 1375 HA ILE 83 HA ILE 83 7.485 2.064 4.895 1376 HB ILE 83 HB ILE 83 10.139 1.386 3.835 1377 1HG1 ILE 83 2HG1 ILE 83 10.287 0.599 6.219 1378 2HG1 ILE 83 1HG1 ILE 83 11.390 1.911 5.816 1379 1HG2 ILE 83 1HG2 ILE 83 9.770 3.928 5.201 1380 2HG2 ILE 83 2HG2 ILE 83 8.520 3.603 4.000 1381 3HG2 ILE 83 3HG2 ILE 83 10.219 3.594 3.528 1382 1HD1 ILE 83 1HD1 ILE 83 10.595 2.619 7.833 1383 2HD1 ILE 83 2HD1 ILE 83 8.998 1.917 7.577 1384 3HD1 ILE 83 3HD1 ILE 83 9.451 3.405 6.747 1385 H LEU 84 H LEU 84 6.697 2.195 2.892 1386 HA LEU 84 HA LEU 84 7.132 -0.081 1.071 1387 1HB LEU 84 2HB LEU 84 4.909 -0.354 1.516 1388 2HB LEU 84 1HB LEU 84 4.665 1.336 1.905 1389 HG LEU 84 HG LEU 84 5.190 1.322 -0.837 1390 1HD1 LEU 84 1HD1 LEU 84 4.852 -0.904 -1.284 1391 2HD1 LEU 84 2HD1 LEU 84 3.215 -0.272 -1.462 1392 3HD1 LEU 84 3HD1 LEU 84 3.684 -1.101 0.022 1393 1HD2 LEU 84 1HD2 LEU 84 2.967 2.137 -1.032 1394 2HD2 LEU 84 2HD2 LEU 84 3.586 2.705 0.519 1395 3HD2 LEU 84 3HD2 LEU 84 2.473 1.339 0.460 1396 H LEU 85 H LEU 85 8.589 0.669 -0.362 1397 HA LEU 85 HA LEU 85 8.189 3.362 -1.470 1398 1HB LEU 85 2HB LEU 85 10.542 1.785 -0.776 1399 2HB LEU 85 1HB LEU 85 10.639 2.483 -2.382 1400 HG LEU 85 HG LEU 85 10.274 4.718 -1.451 1401 1HD1 LEU 85 1HD1 LEU 85 8.941 3.762 0.526 1402 2HD1 LEU 85 2HD1 LEU 85 9.975 5.161 0.813 1403 3HD1 LEU 85 3HD1 LEU 85 10.513 3.553 1.297 1404 1HD2 LEU 85 1HD2 LEU 85 12.442 3.486 0.199 1405 2HD2 LEU 85 2HD2 LEU 85 12.427 5.024 -0.664 1406 3HD2 LEU 85 3HD2 LEU 85 12.566 3.511 -1.560 1407 H PHE 86 H PHE 86 7.245 3.470 -3.370 1408 HA PHE 86 HA PHE 86 8.055 1.703 -5.520 1409 1HB PHE 86 2HB PHE 86 5.926 0.795 -6.019 1410 2HB PHE 86 1HB PHE 86 6.147 0.555 -4.290 1411 HD1 PHE 86 1HD PHE 86 4.314 2.388 -6.864 1412 HD2 PHE 86 2HD PHE 86 4.814 1.762 -2.685 1413 HE1 PHE 86 1HE PHE 86 2.181 3.539 -6.442 1414 HE2 PHE 86 2HE PHE 86 2.681 2.912 -2.254 1415 HZ PHE 86 HZ PHE 86 1.362 3.801 -4.134 1416 H LYS 87 H LYS 87 7.891 2.661 -7.502 1417 HA LYS 87 HA LYS 87 6.891 5.421 -7.520 1418 1HB LYS 87 2HB LYS 87 8.665 4.030 -9.529 1419 2HB LYS 87 1HB LYS 87 8.280 5.746 -9.482 1420 1HG LYS 87 2HG LYS 87 9.538 6.078 -7.520 1421 2HG LYS 87 1HG LYS 87 9.663 4.344 -7.216 1422 1HD LYS 87 2HD LYS 87 11.762 5.129 -8.076 1423 2HD LYS 87 1HD LYS 87 10.986 4.130 -9.304 1424 1HE LYS 87 2HE LYS 87 10.466 7.051 -9.367 1425 2HE LYS 87 1HE LYS 87 12.062 6.493 -9.868 1426 1HZ LYS 87 1HZ LYS 87 10.510 6.659 -11.731 1427 2HZ LYS 87 2HZ LYS 87 9.487 5.532 -10.995 1428 3HZ LYS 87 3HZ LYS 87 11.030 5.065 -11.502 1429 H SER 88 H SER 88 5.785 6.206 -9.444 1430 HA SER 88 HA SER 88 3.908 4.200 -10.450 1431 1HB SER 88 2HB SER 88 3.747 7.032 -9.767 1432 2HB SER 88 1HB SER 88 3.019 6.667 -11.332 1433 HG SER 88 HG SER 88 1.918 4.904 -10.129 1434 H GLY 89 H GLY 89 6.698 4.810 -11.402 1435 1HA GLY 89 2HA GLY 89 7.848 4.970 -13.390 1436 2HA GLY 89 1HA GLY 89 6.431 4.192 -14.078 Start of MODEL 12 1 1H MET 1 1HT MET 1 -24.902 10.528 8.716 2 2H MET 1 2HT MET 1 -23.313 9.883 8.662 3 3H MET 1 3HT MET 1 -23.722 11.066 9.837 4 HA MET 1 HA MET 1 -23.589 8.825 10.723 5 1HB MET 1 2HB MET 1 -25.021 10.704 11.617 6 2HB MET 1 1HB MET 1 -26.377 9.989 10.754 7 1HG MET 1 2HG MET 1 -26.680 9.093 12.825 8 2HG MET 1 1HG MET 1 -25.692 7.840 12.077 9 1HE MET 1 1HE MET 1 -24.107 11.048 14.964 10 2HE MET 1 2HE MET 1 -25.800 10.560 15.012 11 3HE MET 1 3HE MET 1 -25.143 11.325 13.566 12 H CYS 2 H CYS 2 -23.733 8.089 8.052 13 HA CYS 2 HA CYS 2 -25.725 5.945 8.193 14 1HB CYS 2 2HB CYS 2 -25.804 8.150 6.355 15 2HB CYS 2 1HB CYS 2 -25.510 6.661 5.464 16 HG CYS 2 HG CYS 2 -27.771 5.765 6.196 17 H ASP 3 H ASP 3 -23.230 7.142 5.937 18 HA ASP 3 HA ASP 3 -22.001 4.466 6.043 19 1HB ASP 3 2HB ASP 3 -21.446 6.036 3.629 20 2HB ASP 3 1HB ASP 3 -21.909 4.345 3.792 21 H ARG 4 H ARG 4 -19.780 5.268 4.388 22 HA ARG 4 HA ARG 4 -17.692 6.160 4.541 23 1HB ARG 4 2HB ARG 4 -19.215 8.228 6.117 24 2HB ARG 4 1HB ARG 4 -17.478 8.338 5.871 25 1HG ARG 4 2HG ARG 4 -18.081 9.556 4.086 26 2HG ARG 4 1HG ARG 4 -18.283 7.973 3.332 27 1HD ARG 4 2HD ARG 4 -20.310 8.890 2.829 28 2HD ARG 4 1HD ARG 4 -20.694 8.174 4.395 29 HE ARG 4 HE ARG 4 -19.770 10.820 4.738 30 1HH1 ARG 4 1HH1 ARG 4 -22.524 9.023 3.595 31 2HH1 ARG 4 2HH1 ARG 4 -23.663 10.267 3.985 32 1HH2 ARG 4 1HH2 ARG 4 -21.263 12.468 5.258 33 2HH2 ARG 4 2HH2 ARG 4 -22.947 12.227 4.929 34 H LYS 5 H LYS 5 -18.843 7.079 7.769 35 HA LYS 5 HA LYS 5 -18.090 6.561 9.851 36 1HB LYS 5 2HB LYS 5 -18.901 4.255 8.790 37 2HB LYS 5 1HB LYS 5 -17.197 3.861 8.970 38 1HG LYS 5 2HG LYS 5 -18.272 5.078 11.365 39 2HG LYS 5 1HG LYS 5 -19.167 3.630 10.898 40 1HD LYS 5 2HD LYS 5 -16.191 3.537 10.855 41 2HD LYS 5 1HD LYS 5 -17.012 3.485 12.417 42 1HE LYS 5 2HE LYS 5 -17.837 1.673 10.176 43 2HE LYS 5 1HE LYS 5 -16.476 1.261 11.219 44 1HZ LYS 5 1HZ LYS 5 -18.624 2.045 12.836 45 2HZ LYS 5 2HZ LYS 5 -17.900 0.520 12.722 46 3HZ LYS 5 3HZ LYS 5 -19.204 0.913 11.719 47 H ALA 6 H ALA 6 -16.231 7.674 7.893 48 HA ALA 6 HA ALA 6 -13.709 6.755 9.104 49 1HB ALA 6 1HB ALA 6 -12.589 6.836 7.105 50 2HB ALA 6 2HB ALA 6 -13.707 8.004 6.401 51 3HB ALA 6 3HB ALA 6 -14.183 6.314 6.561 52 H VAL 7 H VAL 7 -11.956 8.577 8.514 53 HA VAL 7 HA VAL 7 -13.118 11.204 9.135 54 HB VAL 7 HB VAL 7 -10.764 9.947 10.555 55 1HG1 VAL 7 1HG1 VAL 7 -10.113 11.956 11.303 56 2HG1 VAL 7 2HG1 VAL 7 -11.770 12.514 11.530 57 3HG1 VAL 7 3HG1 VAL 7 -11.024 12.595 9.935 58 1HG2 VAL 7 1HG2 VAL 7 -12.151 10.228 12.567 59 2HG2 VAL 7 2HG2 VAL 7 -12.902 9.152 11.387 60 3HG2 VAL 7 3HG2 VAL 7 -13.474 10.812 11.559 61 H ILE 8 H ILE 8 -12.692 11.383 6.771 62 HA ILE 8 HA ILE 8 -10.357 11.208 5.437 63 HB ILE 8 HB ILE 8 -12.702 12.938 5.203 64 1HG1 ILE 8 2HG1 ILE 8 -12.031 12.461 2.702 65 2HG1 ILE 8 1HG1 ILE 8 -10.936 11.295 3.439 66 1HG2 ILE 8 1HG2 ILE 8 -10.089 14.145 4.716 67 2HG2 ILE 8 2HG2 ILE 8 -11.679 14.895 4.854 68 3HG2 ILE 8 3HG2 ILE 8 -11.164 14.199 3.318 69 1HD1 ILE 8 1HD1 ILE 8 -13.788 11.145 3.012 70 2HD1 ILE 8 2HD1 ILE 8 -13.355 10.824 4.691 71 3HD1 ILE 8 3HD1 ILE 8 -12.630 9.870 3.396 72 H LYS 9 H LYS 9 -8.622 12.674 4.954 73 HA LYS 9 HA LYS 9 -8.107 14.798 6.883 74 1HB LYS 9 2HB LYS 9 -6.135 12.546 6.462 75 2HB LYS 9 1HB LYS 9 -5.930 13.935 7.520 76 1HG LYS 9 2HG LYS 9 -8.317 12.278 8.015 77 2HG LYS 9 1HG LYS 9 -6.759 11.526 8.360 78 1HD LYS 9 2HD LYS 9 -7.004 12.539 10.362 79 2HD LYS 9 1HD LYS 9 -6.396 13.952 9.497 80 1HE LYS 9 2HE LYS 9 -9.328 13.344 9.559 81 2HE LYS 9 1HE LYS 9 -8.554 14.167 10.913 82 1HZ LYS 9 1HZ LYS 9 -9.392 15.818 9.462 83 2HZ LYS 9 2HZ LYS 9 -8.711 15.085 8.098 84 3HZ LYS 9 3HZ LYS 9 -7.712 15.811 9.255 85 H ASN 10 H ASN 10 -7.930 13.494 3.816 86 HA ASN 10 HA ASN 10 -6.976 15.810 2.600 87 1HB ASN 10 2HB ASN 10 -4.873 14.306 3.699 88 2HB ASN 10 1HB ASN 10 -4.826 13.990 1.968 89 1HD2 ASN 10 1HD2 ASN 10 -5.019 15.983 0.584 90 2HD2 ASN 10 2HD2 ASN 10 -4.130 17.373 1.096 91 H ALA 11 H ALA 11 -8.579 15.461 1.129 92 HA ALA 11 HA ALA 11 -8.213 13.149 -0.660 93 1HB ALA 11 1HB ALA 11 -10.255 13.175 0.967 94 2HB ALA 11 2HB ALA 11 -10.456 12.668 -0.710 95 3HB ALA 11 3HB ALA 11 -10.928 14.294 -0.219 96 H ASP 12 H ASP 12 -7.143 14.257 -2.260 97 HA ASP 12 HA ASP 12 -8.319 16.690 -3.341 98 1HB ASP 12 2HB ASP 12 -5.769 15.193 -3.958 99 2HB ASP 12 1HB ASP 12 -6.303 16.594 -4.880 100 H MET 13 H MET 13 -9.735 14.174 -3.534 101 HA MET 13 HA MET 13 -9.787 13.818 -6.458 102 1HB MET 13 2HB MET 13 -9.236 11.706 -5.713 103 2HB MET 13 1HB MET 13 -10.089 11.903 -4.191 104 1HG MET 13 2HG MET 13 -12.106 11.954 -6.072 105 2HG MET 13 1HG MET 13 -10.982 10.747 -6.693 106 1HE MET 13 1HE MET 13 -10.159 8.970 -3.509 107 2HE MET 13 2HE MET 13 -9.807 9.221 -5.219 108 3HE MET 13 3HE MET 13 -10.906 7.934 -4.726 109 H SER 14 H SER 14 -11.991 13.145 -7.280 110 HA SER 14 HA SER 14 -13.864 15.098 -6.940 111 1HB SER 14 2HB SER 14 -15.356 12.754 -7.453 112 2HB SER 14 1HB SER 14 -14.756 13.925 -8.627 113 HG SER 14 HG SER 14 -12.793 12.250 -7.812 114 H GLU 15 H GLU 15 -15.133 15.721 -5.327 115 HA GLU 15 HA GLU 15 -15.226 14.810 -2.803 116 1HB GLU 15 2HB GLU 15 -16.976 16.429 -4.449 117 2HB GLU 15 1HB GLU 15 -17.895 15.524 -3.253 118 1HG GLU 15 2HG GLU 15 -15.562 16.682 -2.046 119 2HG GLU 15 1HG GLU 15 -16.500 17.916 -2.888 120 H GLU 16 H GLU 16 -18.011 14.059 -4.887 121 HA GLU 16 HA GLU 16 -19.131 12.066 -3.414 122 1HB GLU 16 2HB GLU 16 -19.232 12.902 -6.183 123 2HB GLU 16 1HB GLU 16 -19.406 11.158 -6.048 124 1HG GLU 16 2HG GLU 16 -21.072 13.202 -4.599 125 2HG GLU 16 1HG GLU 16 -21.562 12.297 -6.029 126 H MET 17 H MET 17 -16.244 11.889 -5.339 127 HA MET 17 HA MET 17 -16.072 9.041 -5.413 128 1HB MET 17 2HB MET 17 -14.223 11.305 -6.044 129 2HB MET 17 1HB MET 17 -13.559 9.685 -5.874 130 1HG MET 17 2HG MET 17 -15.874 9.597 -7.548 131 2HG MET 17 1HG MET 17 -14.765 10.837 -8.129 132 1HE MET 17 1HE MET 17 -12.930 6.942 -6.895 133 2HE MET 17 2HE MET 17 -14.601 6.616 -7.358 134 3HE MET 17 3HE MET 17 -14.249 7.808 -6.106 135 H GLN 18 H GLN 18 -14.643 11.567 -3.375 136 HA GLN 18 HA GLN 18 -12.985 9.919 -1.835 137 1HB GLN 18 2HB GLN 18 -14.142 12.094 -0.293 138 2HB GLN 18 1HB GLN 18 -12.473 11.826 -0.777 139 1HG GLN 18 2HG GLN 18 -13.858 12.609 -3.092 140 2HG GLN 18 1HG GLN 18 -14.376 13.691 -1.799 141 1HE2 GLN 18 1HE2 GLN 18 -11.305 12.111 -2.619 142 2HE2 GLN 18 2HE2 GLN 18 -10.362 13.558 -2.613 143 H GLN 19 H GLN 19 -16.399 10.700 -1.549 144 HA GLN 19 HA GLN 19 -16.721 9.420 0.995 145 1HB GLN 19 2HB GLN 19 -18.445 10.803 -0.951 146 2HB GLN 19 1HB GLN 19 -19.237 9.509 -0.063 147 1HG GLN 19 2HG GLN 19 -18.736 10.541 2.029 148 2HG GLN 19 1HG GLN 19 -17.716 11.747 1.247 149 1HE2 GLN 19 1HE2 GLN 19 -20.726 10.690 -0.129 150 2HE2 GLN 19 2HE2 GLN 19 -21.599 12.157 0.143 151 H ASP 20 H ASP 20 -17.223 8.569 -2.381 152 HA ASP 20 HA ASP 20 -18.402 6.042 -1.871 153 1HB ASP 20 2HB ASP 20 -17.725 7.601 -4.164 154 2HB ASP 20 1HB ASP 20 -17.023 6.000 -4.368 155 H SER 21 H SER 21 -15.177 7.272 -2.042 156 HA SER 21 HA SER 21 -13.817 4.797 -2.324 157 1HB SER 21 2HB SER 21 -12.240 6.362 -2.740 158 2HB SER 21 1HB SER 21 -13.108 7.596 -1.828 159 HG SER 21 HG SER 21 -11.489 7.313 -0.498 160 H VAL 22 H VAL 22 -14.689 6.822 0.448 161 HA VAL 22 HA VAL 22 -13.520 5.296 2.468 162 HB VAL 22 HB VAL 22 -16.157 6.742 2.736 163 1HG1 VAL 22 1HG1 VAL 22 -15.234 5.256 4.596 164 2HG1 VAL 22 2HG1 VAL 22 -15.667 6.913 5.021 165 3HG1 VAL 22 3HG1 VAL 22 -13.975 6.478 4.781 166 1HG2 VAL 22 1HG2 VAL 22 -14.952 8.472 1.874 167 2HG2 VAL 22 2HG2 VAL 22 -13.405 7.793 2.375 168 3HG2 VAL 22 3HG2 VAL 22 -14.440 8.593 3.557 169 H GLU 23 H GLU 23 -16.721 5.057 0.961 170 HA GLU 23 HA GLU 23 -17.743 2.997 2.564 171 1HB GLU 23 2HB GLU 23 -18.331 3.456 -0.366 172 2HB GLU 23 1HB GLU 23 -19.350 2.612 0.791 173 1HG GLU 23 2HG GLU 23 -19.907 4.597 1.913 174 2HG GLU 23 1HG GLU 23 -18.610 5.498 1.128 175 H CYS 24 H CYS 24 -15.805 2.919 -0.392 176 HA CYS 24 HA CYS 24 -15.863 0.112 -0.742 177 1HB CYS 24 2HB CYS 24 -15.197 1.638 -2.545 178 2HB CYS 24 1HB CYS 24 -13.775 2.121 -1.626 179 HG CYS 24 HG CYS 24 -12.576 0.191 -2.525 180 H ALA 25 H ALA 25 -13.844 2.269 1.146 181 HA ALA 25 HA ALA 25 -11.915 0.273 1.868 182 1HB ALA 25 1HB ALA 25 -11.709 2.880 1.944 183 2HB ALA 25 2HB ALA 25 -10.914 1.902 3.178 184 3HB ALA 25 3HB ALA 25 -12.446 2.700 3.537 185 H THR 26 H THR 26 -14.926 1.502 3.024 186 HA THR 26 HA THR 26 -14.933 0.228 5.567 187 HB THR 26 HB THR 26 -17.296 1.100 3.895 188 HG1 THR 26 1HG THR 26 -16.985 3.013 5.395 189 1HG2 THR 26 1HG2 THR 26 -17.310 -0.182 6.300 190 2HG2 THR 26 2HG2 THR 26 -18.595 0.848 5.669 191 3HG2 THR 26 3HG2 THR 26 -17.385 1.517 6.766 192 H GLN 27 H GLN 27 -16.009 -0.601 2.329 193 HA GLN 27 HA GLN 27 -17.458 -2.928 2.949 194 1HB GLN 27 2HB GLN 27 -16.434 -1.622 0.565 195 2HB GLN 27 1HB GLN 27 -16.306 -3.372 0.450 196 1HG GLN 27 2HG GLN 27 -18.858 -2.047 1.282 197 2HG GLN 27 1HG GLN 27 -18.433 -2.250 -0.417 198 1HE2 GLN 27 1HE2 GLN 27 -18.999 -3.969 2.596 199 2HE2 GLN 27 2HE2 GLN 27 -19.470 -5.465 1.872 200 H ALA 28 H ALA 28 -14.065 -2.354 2.203 201 HA ALA 28 HA ALA 28 -13.277 -5.090 2.275 202 1HB ALA 28 1HB ALA 28 -11.933 -2.468 2.103 203 2HB ALA 28 2HB ALA 28 -11.649 -3.949 1.191 204 3HB ALA 28 3HB ALA 28 -10.984 -3.771 2.814 205 H LEU 29 H LEU 29 -13.724 -2.570 4.615 206 HA LEU 29 HA LEU 29 -12.259 -3.768 6.726 207 1HB LEU 29 2HB LEU 29 -14.330 -1.608 6.590 208 2HB LEU 29 1HB LEU 29 -13.743 -2.199 8.135 209 HG LEU 29 HG LEU 29 -11.605 -1.488 6.265 210 1HD1 LEU 29 1HD1 LEU 29 -13.660 0.181 6.004 211 2HD1 LEU 29 2HD1 LEU 29 -11.981 0.720 5.973 212 3HD1 LEU 29 3HD1 LEU 29 -12.929 0.869 7.452 213 1HD2 LEU 29 1HD2 LEU 29 -11.026 -0.123 8.407 214 2HD2 LEU 29 2HD2 LEU 29 -10.882 -1.881 8.413 215 3HD2 LEU 29 3HD2 LEU 29 -12.290 -1.109 9.143 216 H GLU 30 H GLU 30 -15.770 -3.420 6.212 217 HA GLU 30 HA GLU 30 -16.632 -5.034 8.292 218 1HB GLU 30 2HB GLU 30 -17.803 -3.722 6.084 219 2HB GLU 30 1HB GLU 30 -18.343 -5.393 6.006 220 1HG GLU 30 2HG GLU 30 -18.484 -4.016 8.627 221 2HG GLU 30 1HG GLU 30 -19.642 -3.549 7.384 222 H LYS 31 H LYS 31 -15.566 -5.914 5.056 223 HA LYS 31 HA LYS 31 -16.289 -8.683 5.358 224 1HB LYS 31 2HB LYS 31 -14.487 -7.402 3.299 225 2HB LYS 31 1HB LYS 31 -15.214 -9.000 3.201 226 1HG LYS 31 2HG LYS 31 -16.647 -6.354 3.144 227 2HG LYS 31 1HG LYS 31 -16.438 -7.483 1.805 228 1HD LYS 31 2HD LYS 31 -17.619 -9.147 3.480 229 2HD LYS 31 1HD LYS 31 -18.239 -7.644 4.169 230 1HE LYS 31 2HE LYS 31 -19.640 -8.795 2.362 231 2HE LYS 31 1HE LYS 31 -19.354 -7.063 2.204 232 1HZ LYS 31 1HZ LYS 31 -19.016 -8.102 0.094 233 2HZ LYS 31 2HZ LYS 31 -17.945 -9.235 0.751 234 3HZ LYS 31 3HZ LYS 31 -17.507 -7.604 0.677 235 H TYR 32 H TYR 32 -13.387 -6.739 5.706 236 HA TYR 32 HA TYR 32 -12.139 -8.864 7.221 237 1HB TYR 32 2HB TYR 32 -10.146 -7.907 5.375 238 2HB TYR 32 1HB TYR 32 -10.646 -9.561 5.708 239 HD1 TYR 32 1HD TYR 32 -12.078 -10.739 4.211 240 HD2 TYR 32 2HD TYR 32 -11.285 -6.605 3.588 241 HE1 TYR 32 1HE TYR 32 -13.082 -10.889 1.972 242 HE2 TYR 32 2HE TYR 32 -12.287 -6.745 1.347 243 HH TYR 32 HH TYR 32 -14.158 -9.343 0.328 244 H ASN 33 H ASN 33 -10.371 -8.160 8.488 245 HA ASN 33 HA ASN 33 -9.987 -5.242 8.574 246 1HB ASN 33 2HB ASN 33 -10.022 -6.923 11.069 247 2HB ASN 33 1HB ASN 33 -10.201 -5.178 10.914 248 1HD2 ASN 33 1HD2 ASN 33 -12.133 -4.676 9.306 249 2HD2 ASN 33 2HD2 ASN 33 -13.612 -5.458 9.740 250 H ILE 34 H ILE 34 -8.317 -7.030 7.228 251 HA ILE 34 HA ILE 34 -5.971 -7.258 8.990 252 HB ILE 34 HB ILE 34 -6.434 -8.562 6.309 253 1HG1 ILE 34 2HG1 ILE 34 -7.932 -9.407 8.101 254 2HG1 ILE 34 1HG1 ILE 34 -6.795 -10.622 7.525 255 1HG2 ILE 34 1HG2 ILE 34 -4.180 -8.632 8.272 256 2HG2 ILE 34 2HG2 ILE 34 -4.132 -8.395 6.526 257 3HG2 ILE 34 3HG2 ILE 34 -4.476 -9.992 7.189 258 1HD1 ILE 34 1HD1 ILE 34 -6.498 -8.998 10.033 259 2HD1 ILE 34 2HD1 ILE 34 -5.393 -10.250 9.462 260 3HD1 ILE 34 3HD1 ILE 34 -7.036 -10.674 9.941 261 H GLU 35 H GLU 35 -6.443 -4.702 8.223 262 HA GLU 35 HA GLU 35 -5.753 -2.947 6.876 263 1HB GLU 35 2HB GLU 35 -3.491 -4.387 8.069 264 2HB GLU 35 1HB GLU 35 -3.042 -3.364 6.713 265 1HG GLU 35 2HG GLU 35 -3.004 -2.394 9.102 266 2HG GLU 35 1HG GLU 35 -3.671 -1.427 7.787 267 H LYS 36 H LYS 36 -3.155 -5.029 5.767 268 HA LYS 36 HA LYS 36 -3.141 -4.358 3.144 269 1HB LYS 36 2HB LYS 36 -2.700 -7.132 3.095 270 2HB LYS 36 1HB LYS 36 -1.490 -5.864 3.223 271 1HG LYS 36 2HG LYS 36 -0.964 -6.529 5.263 272 2HG LYS 36 1HG LYS 36 -2.632 -6.311 5.797 273 1HD LYS 36 2HD LYS 36 -2.210 -8.565 6.219 274 2HD LYS 36 1HD LYS 36 -3.066 -8.587 4.676 275 1HE LYS 36 2HE LYS 36 -0.103 -8.406 4.620 276 2HE LYS 36 1HE LYS 36 -0.822 -9.952 5.072 277 1HZ LYS 36 1HZ LYS 36 -0.452 -9.894 2.715 278 2HZ LYS 36 2HZ LYS 36 -1.312 -8.445 2.559 279 3HZ LYS 36 3HZ LYS 36 -2.120 -9.864 3.000 280 H ASP 37 H ASP 37 -5.129 -6.910 4.600 281 HA ASP 37 HA ASP 37 -6.366 -7.882 2.321 282 1HB ASP 37 2HB ASP 37 -6.557 -8.877 4.594 283 2HB ASP 37 1HB ASP 37 -7.629 -7.557 5.055 284 H ILE 38 H ILE 38 -7.741 -5.473 4.569 285 HA ILE 38 HA ILE 38 -9.976 -4.749 3.154 286 HB ILE 38 HB ILE 38 -8.185 -2.898 4.735 287 1HG1 ILE 38 2HG1 ILE 38 -10.636 -3.733 6.025 288 2HG1 ILE 38 1HG1 ILE 38 -9.671 -5.132 5.564 289 1HG2 ILE 38 1HG2 ILE 38 -9.821 -1.770 3.227 290 2HG2 ILE 38 2HG2 ILE 38 -10.064 -1.436 4.942 291 3HG2 ILE 38 3HG2 ILE 38 -11.113 -2.583 4.110 292 1HD1 ILE 38 1HD1 ILE 38 -9.045 -4.563 7.763 293 2HD1 ILE 38 2HD1 ILE 38 -8.886 -2.855 7.355 294 3HD1 ILE 38 3HD1 ILE 38 -7.730 -4.025 6.720 295 H ALA 39 H ALA 39 -6.743 -3.283 2.876 296 HA ALA 39 HA ALA 39 -7.279 -1.371 0.958 297 1HB ALA 39 1HB ALA 39 -5.079 -1.026 1.040 298 2HB ALA 39 2HB ALA 39 -4.724 -2.665 0.492 299 3HB ALA 39 3HB ALA 39 -5.014 -2.351 2.203 300 H ALA 40 H ALA 40 -6.221 -4.731 0.416 301 HA ALA 40 HA ALA 40 -6.164 -4.726 -2.350 302 1HB ALA 40 1HB ALA 40 -7.262 -7.168 -1.118 303 2HB ALA 40 2HB ALA 40 -5.726 -6.601 -0.462 304 3HB ALA 40 3HB ALA 40 -5.871 -6.958 -2.183 305 H HIS 41 H HIS 41 -8.895 -5.560 -0.230 306 HA HIS 41 HA HIS 41 -10.798 -6.126 -2.150 307 1HB HIS 41 2HB HIS 41 -11.507 -6.594 0.003 308 2HB HIS 41 1HB HIS 41 -10.910 -5.070 0.646 309 HD1 HIS 41 1HD HIS 41 -13.957 -6.692 0.168 310 HD2 HIS 41 2HD HIS 41 -12.631 -2.846 -0.669 311 HE1 HIS 41 1HE HIS 41 -16.037 -5.294 -0.030 312 HE2 HIS 41 2HE HIS 41 -15.206 -2.951 -0.435 313 H ILE 42 H ILE 42 -9.974 -2.975 -0.735 314 HA ILE 42 HA ILE 42 -11.872 -1.404 -2.011 315 HB ILE 42 HB ILE 42 -9.029 -0.591 -1.392 316 1HG1 ILE 42 2HG1 ILE 42 -11.507 -0.549 0.346 317 2HG1 ILE 42 1HG1 ILE 42 -10.084 -1.559 0.582 318 1HG2 ILE 42 1HG2 ILE 42 -11.480 1.148 -1.455 319 2HG2 ILE 42 2HG2 ILE 42 -10.438 0.913 -2.859 320 3HG2 ILE 42 3HG2 ILE 42 -9.788 1.643 -1.391 321 1HD1 ILE 42 1HD1 ILE 42 -9.973 1.439 0.625 322 2HD1 ILE 42 2HD1 ILE 42 -8.753 0.292 1.179 323 3HD1 ILE 42 3HD1 ILE 42 -10.270 0.462 2.063 324 H LYS 43 H LYS 43 -8.453 -1.449 -3.004 325 HA LYS 43 HA LYS 43 -8.569 -0.265 -5.405 326 1HB LYS 43 2HB LYS 43 -6.613 -1.525 -4.195 327 2HB LYS 43 1HB LYS 43 -7.058 -2.845 -5.267 328 1HG LYS 43 2HG LYS 43 -6.914 -0.621 -6.924 329 2HG LYS 43 1HG LYS 43 -5.550 -0.449 -5.818 330 1HD LYS 43 2HD LYS 43 -4.847 -1.705 -7.754 331 2HD LYS 43 1HD LYS 43 -4.879 -2.773 -6.350 332 1HE LYS 43 2HE LYS 43 -7.439 -2.799 -7.632 333 2HE LYS 43 1HE LYS 43 -6.181 -3.118 -8.827 334 1HZ LYS 43 1HZ LYS 43 -7.242 -4.893 -6.988 335 2HZ LYS 43 2HZ LYS 43 -5.665 -4.579 -6.464 336 3HZ LYS 43 3HZ LYS 43 -5.936 -5.155 -8.031 337 H LYS 44 H LYS 44 -9.099 -3.762 -4.982 338 HA LYS 44 HA LYS 44 -9.676 -4.531 -7.521 339 1HB LYS 44 2HB LYS 44 -10.040 -5.612 -4.972 340 2HB LYS 44 1HB LYS 44 -11.633 -5.668 -5.713 341 1HG LYS 44 2HG LYS 44 -10.926 -7.076 -7.423 342 2HG LYS 44 1HG LYS 44 -9.223 -6.682 -7.171 343 1HD LYS 44 2HD LYS 44 -10.886 -8.100 -5.102 344 2HD LYS 44 1HD LYS 44 -9.999 -8.963 -6.361 345 1HE LYS 44 2HE LYS 44 -7.949 -7.675 -5.557 346 2HE LYS 44 1HE LYS 44 -8.913 -7.248 -4.144 347 1HZ LYS 44 1HZ LYS 44 -7.943 -9.901 -4.986 348 2HZ LYS 44 2HZ LYS 44 -9.295 -9.769 -3.979 349 3HZ LYS 44 3HZ LYS 44 -7.805 -9.145 -3.478 350 H GLU 45 H GLU 45 -12.196 -3.549 -5.214 351 HA GLU 45 HA GLU 45 -14.298 -3.441 -7.025 352 1HB GLU 45 2HB GLU 45 -14.347 -3.272 -4.466 353 2HB GLU 45 1HB GLU 45 -14.059 -1.552 -4.692 354 1HG GLU 45 2HG GLU 45 -16.252 -1.308 -4.839 355 2HG GLU 45 1HG GLU 45 -16.162 -2.118 -6.402 356 H PHE 46 H PHE 46 -12.511 -0.616 -5.758 357 HA PHE 46 HA PHE 46 -13.546 1.368 -7.275 358 1HB PHE 46 2HB PHE 46 -10.980 0.907 -5.974 359 2HB PHE 46 1HB PHE 46 -10.832 1.953 -7.383 360 HD1 PHE 46 1HD PHE 46 -11.572 4.187 -7.324 361 HD2 PHE 46 2HD PHE 46 -12.560 1.532 -4.150 362 HE1 PHE 46 1HE PHE 46 -12.394 6.088 -5.994 363 HE2 PHE 46 2HE PHE 46 -13.383 3.425 -2.816 364 HZ PHE 46 HZ PHE 46 -13.304 5.709 -3.735 365 H ASP 47 H ASP 47 -10.903 -0.778 -8.302 366 HA ASP 47 HA ASP 47 -10.484 0.303 -10.830 367 1HB ASP 47 2HB ASP 47 -9.983 -2.348 -9.568 368 2HB ASP 47 1HB ASP 47 -9.866 -2.247 -11.322 369 H LYS 48 H LYS 48 -12.822 -2.114 -9.751 370 HA LYS 48 HA LYS 48 -13.935 -2.218 -12.457 371 1HB LYS 48 2HB LYS 48 -14.060 -4.023 -10.080 372 2HB LYS 48 1HB LYS 48 -15.379 -4.069 -11.242 373 1HG LYS 48 2HG LYS 48 -12.467 -4.546 -11.842 374 2HG LYS 48 1HG LYS 48 -13.729 -5.775 -11.731 375 1HD LYS 48 2HD LYS 48 -13.578 -3.535 -13.747 376 2HD LYS 48 1HD LYS 48 -13.275 -5.245 -14.057 377 1HE LYS 48 2HE LYS 48 -15.792 -5.147 -12.851 378 2HE LYS 48 1HE LYS 48 -15.772 -3.799 -13.988 379 1HZ LYS 48 1HZ LYS 48 -16.566 -5.933 -14.939 380 2HZ LYS 48 2HZ LYS 48 -15.018 -6.576 -14.713 381 3HZ LYS 48 3HZ LYS 48 -15.246 -5.270 -15.765 382 H LYS 49 H LYS 49 -14.295 -0.266 -9.955 383 HA LYS 49 HA LYS 49 -17.227 -0.177 -10.106 384 1HB LYS 49 2HB LYS 49 -15.371 0.138 -7.926 385 2HB LYS 49 1HB LYS 49 -16.352 1.585 -8.097 386 1HG LYS 49 2HG LYS 49 -18.184 -0.468 -8.325 387 2HG LYS 49 1HG LYS 49 -17.065 -1.033 -7.082 388 1HD LYS 49 2HD LYS 49 -18.633 0.161 -5.854 389 2HD LYS 49 1HD LYS 49 -17.345 1.344 -6.092 390 1HE LYS 49 2HE LYS 49 -18.677 2.045 -8.183 391 2HE LYS 49 1HE LYS 49 -20.013 1.159 -7.448 392 1HZ LYS 49 1HZ LYS 49 -18.587 3.519 -6.359 393 2HZ LYS 49 2HZ LYS 49 -19.633 2.570 -5.428 394 3HZ LYS 49 3HZ LYS 49 -20.222 3.398 -6.781 395 H TYR 50 H TYR 50 -14.341 1.492 -10.927 396 HA TYR 50 HA TYR 50 -15.952 3.667 -12.041 397 1HB TYR 50 2HB TYR 50 -13.356 4.264 -10.637 398 2HB TYR 50 1HB TYR 50 -14.601 5.393 -11.159 399 HD1 TYR 50 1HD TYR 50 -13.259 3.684 -8.401 400 HD2 TYR 50 2HD TYR 50 -16.960 5.035 -10.012 401 HE1 TYR 50 1HE TYR 50 -14.256 3.613 -6.155 402 HE2 TYR 50 2HE TYR 50 -17.966 4.968 -7.770 403 HH TYR 50 HH TYR 50 -17.628 3.912 -5.630 404 H ASN 51 H ASN 51 -12.565 2.585 -11.760 405 HA ASN 51 HA ASN 51 -12.007 1.704 -14.227 406 1HB ASN 51 2HB ASN 51 -12.550 3.423 -15.608 407 2HB ASN 51 1HB ASN 51 -12.480 4.615 -14.314 408 1HD2 ASN 51 1HD2 ASN 51 -11.190 6.157 -15.050 409 2HD2 ASN 51 2HD2 ASN 51 -9.599 5.921 -15.681 410 HA PRO 52 HA PRO 52 -8.289 1.529 -11.721 411 1HB PRO 52 2HB PRO 52 -6.851 0.008 -13.497 412 2HB PRO 52 1HB PRO 52 -8.014 -0.652 -12.343 413 1HG PRO 52 2HG PRO 52 -8.377 -0.023 -15.246 414 2HG PRO 52 1HG PRO 52 -8.932 -1.436 -14.329 415 1HD PRO 52 2HD PRO 52 -10.599 0.570 -14.953 416 2HD PRO 52 1HD PRO 52 -10.722 -0.288 -13.403 417 H THR 53 H THR 53 -5.501 3.221 -13.266 418 HA THR 53 HA THR 53 -6.363 0.936 -11.640 419 HB THR 53 HB THR 53 -3.631 1.973 -12.389 420 HG1 THR 53 1HG THR 53 -4.160 0.596 -13.916 421 1HG2 THR 53 1HG2 THR 53 -3.416 1.303 -10.102 422 2HG2 THR 53 2HG2 THR 53 -2.710 0.056 -11.131 423 3HG2 THR 53 3HG2 THR 53 -4.301 -0.190 -10.412 424 H TRP 54 H TRP 54 -6.521 1.087 -9.476 425 HA TRP 54 HA TRP 54 -5.969 3.716 -8.288 426 1HB TRP 54 2HB TRP 54 -7.800 1.507 -7.330 427 2HB TRP 54 1HB TRP 54 -7.575 3.061 -6.534 428 HD1 TRP 54 HD TRP 54 -8.818 1.721 -9.961 429 HE1 TRP 54 1HE TRP 54 -10.676 3.296 -10.794 430 HE3 TRP 54 3HE TRP 54 -8.666 5.209 -6.225 431 HZ2 TRP 54 2HZ TRP 54 -11.913 5.696 -9.976 432 HZ3 TRP 54 3HZ TRP 54 -10.221 7.114 -6.326 433 HH2 TRP 54 HH TRP 54 -11.810 7.351 -8.164 434 H HIS 55 H HIS 55 -4.866 3.924 -6.378 435 HA HIS 55 HA HIS 55 -3.485 1.516 -5.384 436 1HB HIS 55 2HB HIS 55 -2.346 4.322 -5.494 437 2HB HIS 55 1HB HIS 55 -1.513 2.878 -4.924 438 HD1 HIS 55 1HD HIS 55 0.341 2.987 -6.685 439 HD2 HIS 55 2HD HIS 55 -3.482 2.831 -8.306 440 HE1 HIS 55 1HE HIS 55 0.669 2.553 -9.140 441 HE2 HIS 55 2HE HIS 55 -1.660 2.396 -10.089 442 H CYS 56 H CYS 56 -4.634 1.079 -3.587 443 HA CYS 56 HA CYS 56 -5.256 3.309 -1.775 444 1HB CYS 56 2HB CYS 56 -6.880 1.672 -0.750 445 2HB CYS 56 1HB CYS 56 -7.236 2.160 -2.403 446 HG CYS 56 HG CYS 56 -6.364 -0.182 -3.196 447 H ILE 57 H ILE 57 -4.839 3.227 0.391 448 HA ILE 57 HA ILE 57 -3.179 1.017 1.393 449 HB ILE 57 HB ILE 57 -2.562 3.929 1.911 450 1HG1 ILE 57 2HG1 ILE 57 -1.985 3.485 -0.372 451 2HG1 ILE 57 1HG1 ILE 57 -0.491 3.452 0.559 452 1HG2 ILE 57 1HG2 ILE 57 -1.887 2.643 3.773 453 2HG2 ILE 57 2HG2 ILE 57 -0.429 2.922 2.822 454 3HG2 ILE 57 3HG2 ILE 57 -1.242 1.359 2.749 455 1HD1 ILE 57 1HD1 ILE 57 -1.677 0.829 0.384 456 2HD1 ILE 57 2HD1 ILE 57 -0.063 1.375 -0.073 457 3HD1 ILE 57 3HD1 ILE 57 -1.401 1.530 -1.211 458 H VAL 58 H VAL 58 -4.453 0.161 2.929 459 HA VAL 58 HA VAL 58 -5.914 1.981 4.720 460 HB VAL 58 HB VAL 58 -7.352 0.410 3.558 461 1HG1 VAL 58 1HG1 VAL 58 -5.776 -1.779 4.895 462 2HG1 VAL 58 2HG1 VAL 58 -5.614 -1.321 3.200 463 3HG1 VAL 58 3HG1 VAL 58 -7.142 -1.969 3.796 464 1HG2 VAL 58 1HG2 VAL 58 -7.604 -0.937 6.077 465 2HG2 VAL 58 2HG2 VAL 58 -8.626 0.319 5.377 466 3HG2 VAL 58 3HG2 VAL 58 -7.217 0.764 6.341 467 H GLY 59 H GLY 59 -5.003 2.319 6.637 468 1HA GLY 59 2HA GLY 59 -3.718 0.038 7.986 469 2HA GLY 59 1HA GLY 59 -2.893 1.588 7.898 470 H ARG 60 H ARG 60 -2.897 2.334 9.939 471 HA ARG 60 HA ARG 60 -5.333 3.202 11.106 472 1HB ARG 60 2HB ARG 60 -4.779 1.819 13.258 473 2HB ARG 60 1HB ARG 60 -5.735 1.117 11.961 474 1HG ARG 60 2HG ARG 60 -3.294 0.381 11.155 475 2HG ARG 60 1HG ARG 60 -3.024 0.444 12.899 476 1HD ARG 60 2HD ARG 60 -5.460 -0.844 12.650 477 2HD ARG 60 1HD ARG 60 -4.509 -1.483 11.309 478 HE ARG 60 HE ARG 60 -3.059 -1.483 13.772 479 1HH1 ARG 60 1HH1 ARG 60 -5.427 -3.210 11.892 480 2HH1 ARG 60 2HH1 ARG 60 -5.087 -4.739 12.628 481 1HH2 ARG 60 1HH2 ARG 60 -2.603 -3.496 14.751 482 2HH2 ARG 60 2HH2 ARG 60 -3.483 -4.902 14.252 483 H ASN 61 H ASN 61 -2.294 3.711 10.452 484 HA ASN 61 HA ASN 61 -1.854 5.921 11.966 485 1HB ASN 61 2HB ASN 61 -2.001 4.250 13.896 486 2HB ASN 61 1HB ASN 61 -0.440 3.644 13.349 487 1HD2 ASN 61 1HD2 ASN 61 -1.423 5.134 15.791 488 2HD2 ASN 61 2HD2 ASN 61 -0.307 6.442 15.960 489 H PHE 62 H PHE 62 -1.217 4.615 9.443 490 HA PHE 62 HA PHE 62 1.691 4.461 9.429 491 1HB PHE 62 2HB PHE 62 1.512 3.574 7.247 492 2HB PHE 62 1HB PHE 62 0.158 2.877 8.130 493 HD1 PHE 62 1HD PHE 62 1.013 5.735 5.905 494 HD2 PHE 62 2HD PHE 62 -1.972 3.011 7.242 495 HE1 PHE 62 1HE PHE 62 -0.534 6.598 4.200 496 HE2 PHE 62 2HE PHE 62 -3.523 3.870 5.536 497 HZ PHE 62 HZ PHE 62 -2.806 5.667 4.013 498 H GLY 63 H GLY 63 2.496 5.479 7.123 499 1HA GLY 63 2HA GLY 63 1.489 8.241 6.975 500 2HA GLY 63 1HA GLY 63 3.203 7.964 7.259 501 H SER 64 H SER 64 0.705 8.140 4.928 502 HA SER 64 HA SER 64 2.276 6.893 2.834 503 1HB SER 64 2HB SER 64 0.355 7.391 1.381 504 2HB SER 64 1HB SER 64 -0.150 6.558 2.852 505 HG SER 64 HG SER 64 -1.493 8.179 2.989 506 H TYR 65 H TYR 65 3.152 7.897 1.073 507 HA TYR 65 HA TYR 65 3.011 10.771 0.773 508 1HB TYR 65 2HB TYR 65 4.886 10.211 2.448 509 2HB TYR 65 1HB TYR 65 5.741 9.525 1.070 510 HD1 TYR 65 1HD TYR 65 4.069 12.670 2.178 511 HD2 TYR 65 2HD TYR 65 7.102 10.898 -0.223 512 HE1 TYR 65 1HE TYR 65 4.914 14.908 1.604 513 HE2 TYR 65 2HE TYR 65 7.955 13.130 -0.804 514 HH TYR 65 HH TYR 65 7.919 15.408 0.096 515 H VAL 66 H VAL 66 1.904 9.483 -1.048 516 HA VAL 66 HA VAL 66 3.842 8.676 -3.102 517 HB VAL 66 HB VAL 66 1.922 7.658 -4.268 518 1HG1 VAL 66 1HG1 VAL 66 1.982 5.737 -3.039 519 2HG1 VAL 66 2HG1 VAL 66 1.742 6.576 -1.507 520 3HG1 VAL 66 3HG1 VAL 66 3.324 6.601 -2.288 521 1HG2 VAL 66 1HG2 VAL 66 0.418 9.300 -2.555 522 2HG2 VAL 66 2HG2 VAL 66 0.057 7.639 -2.088 523 3HG2 VAL 66 3HG2 VAL 66 -0.183 8.158 -3.756 524 H THR 67 H THR 67 3.391 9.289 -5.332 525 HA THR 67 HA THR 67 2.686 12.099 -5.500 526 HB THR 67 HB THR 67 4.029 10.135 -7.326 527 HG1 THR 67 1HG THR 67 5.222 12.465 -7.227 528 1HG2 THR 67 1HG2 THR 67 3.145 12.885 -8.170 529 2HG2 THR 67 2HG2 THR 67 2.513 11.362 -8.796 530 3HG2 THR 67 3HG2 THR 67 4.199 11.799 -9.076 531 H HIS 68 H HIS 68 1.214 9.079 -6.088 532 HA HIS 68 HA HIS 68 -0.608 8.433 -7.353 533 1HB HIS 68 2HB HIS 68 -2.603 9.978 -6.744 534 2HB HIS 68 1HB HIS 68 -1.787 9.104 -5.453 535 HD1 HIS 68 1HD HIS 68 -0.563 10.479 -3.689 536 HD2 HIS 68 2HD HIS 68 -2.126 12.772 -6.780 537 HE1 HIS 68 1HE HIS 68 -0.363 12.867 -2.922 538 HE2 HIS 68 2HE HIS 68 -1.296 14.239 -4.818 539 H GLU 69 H GLU 69 -2.722 10.131 -8.327 540 HA GLU 69 HA GLU 69 -2.064 12.200 -9.974 541 1HB GLU 69 2HB GLU 69 -1.879 10.812 -12.200 542 2HB GLU 69 1HB GLU 69 -0.449 11.155 -11.236 543 1HG GLU 69 2HG GLU 69 -1.340 8.802 -10.158 544 2HG GLU 69 1HG GLU 69 -1.720 8.614 -11.868 545 H THR 70 H THR 70 -3.322 11.315 -12.430 546 HA THR 70 HA THR 70 -5.463 11.475 -13.247 547 HB THR 70 HB THR 70 -6.367 9.241 -11.539 548 HG1 THR 70 1HG THR 70 -4.212 8.831 -13.325 549 1HG2 THR 70 1HG2 THR 70 -7.463 8.605 -13.359 550 2HG2 THR 70 2HG2 THR 70 -6.029 8.743 -14.375 551 3HG2 THR 70 3HG2 THR 70 -7.012 10.169 -14.040 552 H LYS 71 H LYS 71 -6.832 9.978 -10.455 553 HA LYS 71 HA LYS 71 -8.385 12.385 -9.924 554 1HB LYS 71 2HB LYS 71 -8.712 9.734 -8.535 555 2HB LYS 71 1HB LYS 71 -9.908 11.004 -8.764 556 1HG LYS 71 2HG LYS 71 -8.777 9.713 -11.184 557 2HG LYS 71 1HG LYS 71 -9.921 8.793 -10.204 558 1HD LYS 71 2HD LYS 71 -11.629 9.937 -11.054 559 2HD LYS 71 1HD LYS 71 -10.895 11.462 -10.557 560 1HE LYS 71 2HE LYS 71 -11.346 11.291 -13.003 561 2HE LYS 71 1HE LYS 71 -9.661 11.615 -12.597 562 1HZ LYS 71 1HZ LYS 71 -10.315 9.784 -14.334 563 2HZ LYS 71 2HZ LYS 71 -10.488 8.827 -12.949 564 3HZ LYS 71 3HZ LYS 71 -9.002 9.562 -13.288 565 H HIS 72 H HIS 72 -5.593 12.336 -9.196 566 HA HIS 72 HA HIS 72 -4.197 12.824 -7.469 567 1HB HIS 72 2HB HIS 72 -6.676 14.217 -7.023 568 2HB HIS 72 1HB HIS 72 -5.942 13.798 -5.480 569 HD1 HIS 72 1HD HIS 72 -6.128 16.615 -7.340 570 HD2 HIS 72 2HD HIS 72 -2.835 14.414 -6.085 571 HE1 HIS 72 1HE HIS 72 -4.188 18.214 -7.401 572 HE2 HIS 72 2HE HIS 72 -2.191 16.838 -6.714 573 H PHE 73 H PHE 73 -6.872 12.290 -5.257 574 HA PHE 73 HA PHE 73 -6.665 9.655 -4.611 575 1HB PHE 73 2HB PHE 73 -4.965 9.387 -2.978 576 2HB PHE 73 1HB PHE 73 -4.198 10.218 -4.328 577 HD1 PHE 73 1HD PHE 73 -3.601 12.580 -4.157 578 HD2 PHE 73 2HD PHE 73 -5.267 10.464 -0.862 579 HE1 PHE 73 1HE PHE 73 -2.873 14.376 -2.642 580 HE2 PHE 73 2HE PHE 73 -4.542 12.257 0.660 581 HZ PHE 73 HZ PHE 73 -3.344 14.217 -0.231 582 H ILE 74 H ILE 74 -6.807 9.399 -1.982 583 HA ILE 74 HA ILE 74 -8.272 11.577 -0.771 584 HB ILE 74 HB ILE 74 -10.003 10.376 -2.105 585 1HG1 ILE 74 2HG1 ILE 74 -10.039 10.684 0.863 586 2HG1 ILE 74 1HG1 ILE 74 -10.956 11.546 -0.361 587 1HG2 ILE 74 1HG2 ILE 74 -8.727 8.100 -0.926 588 2HG2 ILE 74 2HG2 ILE 74 -9.962 8.156 -2.184 589 3HG2 ILE 74 3HG2 ILE 74 -10.435 8.112 -0.486 590 1HD1 ILE 74 1HD1 ILE 74 -11.808 8.829 -0.317 591 2HD1 ILE 74 2HD1 ILE 74 -12.720 10.291 0.059 592 3HD1 ILE 74 3HD1 ILE 74 -11.811 9.468 1.326 593 H TYR 75 H TYR 75 -7.903 11.610 1.342 594 HA TYR 75 HA TYR 75 -6.900 9.156 2.621 595 1HB TYR 75 2HB TYR 75 -5.442 11.394 2.296 596 2HB TYR 75 1HB TYR 75 -6.241 11.796 3.812 597 HD1 TYR 75 1HD TYR 75 -4.158 11.809 5.050 598 HD2 TYR 75 2HD TYR 75 -5.420 8.316 2.972 599 HE1 TYR 75 1HE TYR 75 -2.494 10.482 6.279 600 HE2 TYR 75 2HE TYR 75 -3.761 6.980 4.198 601 HH TYR 75 HH TYR 75 -1.748 8.421 6.732 602 H PHE 76 H PHE 76 -7.815 8.513 4.503 603 HA PHE 76 HA PHE 76 -9.417 10.260 6.114 604 1HB PHE 76 2HB PHE 76 -11.464 8.662 5.811 605 2HB PHE 76 1HB PHE 76 -11.198 9.967 4.661 606 HD1 PHE 76 1HD PHE 76 -9.640 9.273 2.612 607 HD2 PHE 76 2HD PHE 76 -11.955 6.592 4.971 608 HE1 PHE 76 1HE PHE 76 -9.631 7.645 0.766 609 HE2 PHE 76 2HE PHE 76 -11.951 4.961 3.130 610 HZ PHE 76 HZ PHE 76 -10.787 5.486 1.024 611 H TYR 77 H TYR 77 -10.391 9.091 7.980 612 HA TYR 77 HA TYR 77 -8.987 6.570 8.558 613 1HB TYR 77 2HB TYR 77 -7.898 8.581 9.634 614 2HB TYR 77 1HB TYR 77 -9.369 8.780 10.579 615 HD1 TYR 77 1HD TYR 77 -6.165 7.379 10.566 616 HD2 TYR 77 2HD TYR 77 -10.141 6.575 11.851 617 HE1 TYR 77 1HE TYR 77 -5.299 5.795 12.236 618 HE2 TYR 77 2HE TYR 77 -9.284 4.987 13.524 619 HH TYR 77 HH TYR 77 -6.569 4.878 14.733 620 H LEU 78 H LEU 78 -10.628 5.151 8.544 621 HA LEU 78 HA LEU 78 -13.283 5.672 9.266 622 1HB LEU 78 2HB LEU 78 -11.696 3.126 9.083 623 2HB LEU 78 1HB LEU 78 -13.393 3.130 9.523 624 HG LEU 78 HG LEU 78 -12.877 2.647 7.099 625 1HD1 LEU 78 1HD1 LEU 78 -15.099 3.263 7.778 626 2HD1 LEU 78 2HD1 LEU 78 -14.710 4.079 6.263 627 3HD1 LEU 78 3HD1 LEU 78 -14.665 4.972 7.783 628 1HD2 LEU 78 1HD2 LEU 78 -11.109 4.220 6.705 629 2HD2 LEU 78 2HD2 LEU 78 -12.154 5.573 7.143 630 3HD2 LEU 78 3HD2 LEU 78 -12.478 4.646 5.677 631 H GLY 79 H GLY 79 -14.285 4.056 11.055 632 1HA GLY 79 2HA GLY 79 -14.247 5.081 13.474 633 2HA GLY 79 1HA GLY 79 -14.263 3.333 13.295 634 H GLN 80 H GLN 80 -11.801 2.651 12.587 635 HA GLN 80 HA GLN 80 -9.868 3.997 14.290 636 1HB GLN 80 2HB GLN 80 -11.257 1.936 15.396 637 2HB GLN 80 1HB GLN 80 -9.897 1.075 14.689 638 1HG GLN 80 2HG GLN 80 -8.473 1.829 16.228 639 2HG GLN 80 1HG GLN 80 -9.109 3.470 16.144 640 1HE2 GLN 80 1HE2 GLN 80 -11.217 3.815 17.237 641 2HE2 GLN 80 2HE2 GLN 80 -11.493 2.988 18.729 642 H VAL 81 H VAL 81 -10.157 3.687 11.468 643 HA VAL 81 HA VAL 81 -7.592 2.408 10.897 644 HB VAL 81 HB VAL 81 -10.116 1.832 9.336 645 1HG1 VAL 81 1HG1 VAL 81 -8.807 1.465 7.581 646 2HG1 VAL 81 2HG1 VAL 81 -8.018 0.175 8.488 647 3HG1 VAL 81 3HG1 VAL 81 -7.363 1.811 8.532 648 1HG2 VAL 81 1HG2 VAL 81 -10.226 0.389 11.130 649 2HG2 VAL 81 2HG2 VAL 81 -8.472 0.253 11.265 650 3HG2 VAL 81 3HG2 VAL 81 -9.322 -0.573 9.959 651 H ALA 82 H ALA 82 -6.860 2.953 8.625 652 HA ALA 82 HA ALA 82 -7.899 5.558 7.746 653 1HB ALA 82 1HB ALA 82 -5.828 6.570 7.708 654 2HB ALA 82 2HB ALA 82 -4.960 5.034 7.661 655 3HB ALA 82 3HB ALA 82 -5.708 5.579 9.163 656 H ILE 83 H ILE 83 -7.570 6.028 5.515 657 HA ILE 83 HA ILE 83 -6.630 3.802 3.861 658 HB ILE 83 HB ILE 83 -9.004 5.118 2.757 659 1HG1 ILE 83 2HG1 ILE 83 -9.601 4.972 5.189 660 2HG1 ILE 83 1HG1 ILE 83 -10.639 4.013 4.139 661 1HG2 ILE 83 1HG2 ILE 83 -9.573 2.646 2.403 662 2HG2 ILE 83 2HG2 ILE 83 -7.953 2.323 3.020 663 3HG2 ILE 83 3HG2 ILE 83 -8.166 3.296 1.564 664 1HD1 ILE 83 1HD1 ILE 83 -8.322 2.583 5.226 665 2HD1 ILE 83 2HD1 ILE 83 -10.005 2.080 5.073 666 3HD1 ILE 83 3HD1 ILE 83 -9.512 3.111 6.417 667 H LEU 84 H LEU 84 -5.510 4.398 2.125 668 HA LEU 84 HA LEU 84 -5.531 7.241 1.351 669 1HB LEU 84 2HB LEU 84 -3.445 7.057 2.318 670 2HB LEU 84 1HB LEU 84 -3.270 5.371 1.877 671 HG LEU 84 HG LEU 84 -3.243 6.563 -0.576 672 1HD1 LEU 84 1HD1 LEU 84 -2.767 8.722 -0.449 673 2HD1 LEU 84 2HD1 LEU 84 -1.291 8.339 0.435 674 3HD1 LEU 84 3HD1 LEU 84 -2.790 8.644 1.312 675 1HD2 LEU 84 1HD2 LEU 84 -1.379 5.362 -0.615 676 2HD2 LEU 84 2HD2 LEU 84 -1.466 5.184 1.138 677 3HD2 LEU 84 3HD2 LEU 84 -0.578 6.534 0.431 678 H LEU 85 H LEU 85 -6.961 6.939 -0.348 679 HA LEU 85 HA LEU 85 -6.302 4.945 -2.374 680 1HB LEU 85 2HB LEU 85 -8.701 6.290 -1.498 681 2HB LEU 85 1HB LEU 85 -8.511 6.427 -3.236 682 HG LEU 85 HG LEU 85 -8.238 3.930 -3.318 683 1HD1 LEU 85 1HD1 LEU 85 -8.403 2.612 -1.497 684 2HD1 LEU 85 2HD1 LEU 85 -9.546 3.684 -0.688 685 3HD1 LEU 85 3HD1 LEU 85 -7.823 4.060 -0.675 686 1HD2 LEU 85 1HD2 LEU 85 -10.881 4.485 -2.081 687 2HD2 LEU 85 2HD2 LEU 85 -10.484 3.620 -3.566 688 3HD2 LEU 85 3HD2 LEU 85 -10.434 5.382 -3.533 689 H PHE 86 H PHE 86 -5.234 5.387 -4.160 690 HA PHE 86 HA PHE 86 -5.473 7.930 -5.491 691 1HB PHE 86 2HB PHE 86 -3.199 8.635 -5.344 692 2HB PHE 86 1HB PHE 86 -3.743 8.323 -3.699 693 HD1 PHE 86 1HD PHE 86 -1.365 7.494 -6.254 694 HD2 PHE 86 2HD PHE 86 -3.077 6.172 -2.589 695 HE1 PHE 86 1HE PHE 86 0.538 5.970 -5.920 696 HE2 PHE 86 2HE PHE 86 -1.177 4.646 -2.248 697 HZ PHE 86 HZ PHE 86 0.633 4.544 -3.914 698 H LYS 87 H LYS 87 -5.517 7.507 -7.589 699 HA LYS 87 HA LYS 87 -4.626 4.957 -8.604 700 1HB LYS 87 2HB LYS 87 -5.854 7.354 -9.974 701 2HB LYS 87 1HB LYS 87 -5.485 5.836 -10.779 702 1HG LYS 87 2HG LYS 87 -7.080 4.660 -9.451 703 2HG LYS 87 1HG LYS 87 -7.338 6.072 -8.422 704 1HD LYS 87 2HD LYS 87 -9.166 6.076 -9.882 705 2HD LYS 87 1HD LYS 87 -8.061 7.269 -10.562 706 1HE LYS 87 2HE LYS 87 -7.169 5.333 -11.991 707 2HE LYS 87 1HE LYS 87 -8.641 4.486 -11.517 708 1HZ LYS 87 1HZ LYS 87 -9.969 6.018 -12.621 709 2HZ LYS 87 2HZ LYS 87 -8.664 5.815 -13.677 710 3HZ LYS 87 3HZ LYS 87 -8.751 7.190 -12.698 711 H SER 88 H SER 88 -3.311 4.873 -10.634 712 HA SER 88 HA SER 88 -1.110 6.822 -10.489 713 1HB SER 88 2HB SER 88 -1.101 3.958 -10.360 714 2HB SER 88 1HB SER 88 -0.222 4.477 -11.796 715 HG SER 88 HG SER 88 1.024 4.323 -9.784 716 H GLY 89 H GLY 89 -3.634 6.674 -12.105 717 1HA GLY 89 2HA GLY 89 -3.748 7.936 -14.193 718 2HA GLY 89 1HA GLY 89 -2.355 7.017 -14.743 719 1H MET 1 1HT MET 1 25.038 1.415 10.869 720 2H MET 1 2HT MET 1 23.976 2.459 11.723 721 3H MET 1 3HT MET 1 25.647 2.835 11.611 722 HA MET 1 HA MET 1 23.689 3.762 10.024 723 1HB MET 1 2HB MET 1 26.672 3.582 9.946 724 2HB MET 1 1HB MET 1 25.836 4.269 8.559 725 1HG MET 1 2HG MET 1 26.568 5.990 10.117 726 2HG MET 1 1HG MET 1 24.812 5.947 9.975 727 1HE MET 1 1HE MET 1 27.110 6.962 12.593 728 2HE MET 1 2HE MET 1 27.904 5.496 12.020 729 3HE MET 1 3HE MET 1 27.311 5.588 13.678 730 H CYS 2 H CYS 2 25.005 0.668 9.781 731 HA CYS 2 HA CYS 2 23.929 0.390 7.058 732 1HB CYS 2 2HB CYS 2 26.071 -1.495 7.630 733 2HB CYS 2 1HB CYS 2 25.845 -0.444 6.236 734 HG CYS 2 HG CYS 2 27.716 0.071 8.555 735 H ASP 3 H ASP 3 22.500 -0.095 9.407 736 HA ASP 3 HA ASP 3 22.578 -2.930 9.963 737 1HB ASP 3 2HB ASP 3 20.218 -1.800 11.029 738 2HB ASP 3 1HB ASP 3 21.695 -2.225 11.889 739 H ARG 4 H ARG 4 21.013 -0.867 7.733 740 HA ARG 4 HA ARG 4 19.276 -1.144 6.266 741 1HB ARG 4 2HB ARG 4 20.894 -3.591 6.270 742 2HB ARG 4 1HB ARG 4 19.268 -3.820 5.638 743 1HG ARG 4 2HG ARG 4 20.178 -3.175 3.700 744 2HG ARG 4 1HG ARG 4 20.003 -1.547 4.359 745 1HD ARG 4 2HD ARG 4 22.255 -1.974 3.442 746 2HD ARG 4 1HD ARG 4 22.277 -1.580 5.160 747 HE ARG 4 HE ARG 4 23.429 -3.533 5.363 748 1HH1 ARG 4 1HH1 ARG 4 20.929 -3.970 2.982 749 2HH1 ARG 4 2HH1 ARG 4 21.257 -5.656 2.756 750 1HH2 ARG 4 1HH2 ARG 4 23.874 -5.752 5.075 751 2HH2 ARG 4 2HH2 ARG 4 22.933 -6.670 3.947 752 H LYS 5 H LYS 5 18.776 -1.671 9.195 753 HA LYS 5 HA LYS 5 17.069 -3.688 9.794 754 1HB LYS 5 2HB LYS 5 17.380 -0.913 10.692 755 2HB LYS 5 1HB LYS 5 15.777 -1.578 10.978 756 1HG LYS 5 2HG LYS 5 17.753 -3.496 11.744 757 2HG LYS 5 1HG LYS 5 18.101 -1.943 12.507 758 1HD LYS 5 2HD LYS 5 15.974 -1.861 13.530 759 2HD LYS 5 1HD LYS 5 15.360 -3.178 12.531 760 1HE LYS 5 2HE LYS 5 16.165 -4.739 13.912 761 2HE LYS 5 1HE LYS 5 17.721 -3.921 14.060 762 1HZ LYS 5 1HZ LYS 5 15.941 -2.358 15.450 763 2HZ LYS 5 2HZ LYS 5 17.105 -3.392 16.109 764 3HZ LYS 5 3HZ LYS 5 15.526 -3.945 15.865 765 H ALA 6 H ALA 6 15.143 -4.399 9.171 766 HA ALA 6 HA ALA 6 12.868 -3.103 8.529 767 1HB ALA 6 1HB ALA 6 14.556 -3.333 6.041 768 2HB ALA 6 2HB ALA 6 13.988 -1.847 6.802 769 3HB ALA 6 3HB ALA 6 12.834 -2.955 6.060 770 H VAL 7 H VAL 7 11.324 -4.404 7.187 771 HA VAL 7 HA VAL 7 12.133 -7.223 6.988 772 HB VAL 7 HB VAL 7 9.545 -6.240 8.203 773 1HG1 VAL 7 1HG1 VAL 7 9.124 -8.629 8.657 774 2HG1 VAL 7 2HG1 VAL 7 10.563 -9.039 7.722 775 3HG1 VAL 7 3HG1 VAL 7 9.188 -8.267 6.932 776 1HG2 VAL 7 1HG2 VAL 7 10.999 -7.949 9.932 777 2HG2 VAL 7 2HG2 VAL 7 10.601 -6.246 10.155 778 3HG2 VAL 7 3HG2 VAL 7 12.106 -6.703 9.356 779 H ILE 8 H ILE 8 12.293 -6.269 4.706 780 HA ILE 8 HA ILE 8 10.236 -5.422 3.146 781 HB ILE 8 HB ILE 8 12.674 -7.019 2.606 782 1HG1 ILE 8 2HG1 ILE 8 12.411 -5.111 0.657 783 2HG1 ILE 8 1HG1 ILE 8 11.524 -4.387 1.995 784 1HG2 ILE 8 1HG2 ILE 8 11.384 -6.680 0.091 785 2HG2 ILE 8 2HG2 ILE 8 10.325 -7.620 1.143 786 3HG2 ILE 8 3HG2 ILE 8 11.975 -8.165 0.840 787 1HD1 ILE 8 1HD1 ILE 8 13.514 -3.626 2.643 788 2HD1 ILE 8 2HD1 ILE 8 14.388 -4.780 1.634 789 3HD1 ILE 8 3HD1 ILE 8 13.798 -5.267 3.222 790 H LYS 9 H LYS 9 8.753 -6.434 1.736 791 HA LYS 9 HA LYS 9 8.113 -9.232 2.092 792 1HB LYS 9 2HB LYS 9 5.879 -7.315 2.647 793 2HB LYS 9 1HB LYS 9 6.020 -9.011 3.086 794 1HG LYS 9 2HG LYS 9 8.096 -7.493 4.357 795 2HG LYS 9 1HG LYS 9 6.518 -6.778 4.694 796 1HD LYS 9 2HD LYS 9 5.815 -9.242 5.173 797 2HD LYS 9 1HD LYS 9 7.549 -9.502 5.365 798 1HE LYS 9 2HE LYS 9 7.592 -8.464 7.346 799 2HE LYS 9 1HE LYS 9 6.589 -7.136 6.764 800 1HZ LYS 9 1HZ LYS 9 4.815 -9.142 6.914 801 2HZ LYS 9 2HZ LYS 9 5.074 -8.007 8.140 802 3HZ LYS 9 3HZ LYS 9 5.832 -9.518 8.212 803 H ASN 10 H ASN 10 8.305 -6.476 0.302 804 HA ASN 10 HA ASN 10 7.358 -7.673 -2.072 805 1HB ASN 10 2HB ASN 10 5.389 -6.273 -0.499 806 2HB ASN 10 1HB ASN 10 5.636 -5.443 -2.033 807 1HD2 ASN 10 1HD2 ASN 10 6.501 -8.388 -2.833 808 2HD2 ASN 10 2HD2 ASN 10 4.988 -9.077 -3.304 809 H ALA 11 H ALA 11 9.459 -6.972 -2.658 810 HA ALA 11 HA ALA 11 9.658 -4.070 -3.138 811 1HB ALA 11 1HB ALA 11 12.111 -5.736 -2.920 812 2HB ALA 11 2HB ALA 11 11.250 -5.297 -1.445 813 3HB ALA 11 3HB ALA 11 11.857 -4.038 -2.520 814 H ASP 12 H ASP 12 8.705 -4.335 -5.225 815 HA ASP 12 HA ASP 12 9.921 -6.037 -7.183 816 1HB ASP 12 2HB ASP 12 7.614 -4.255 -7.038 817 2HB ASP 12 1HB ASP 12 8.449 -4.158 -8.586 818 H MET 13 H MET 13 11.840 -4.426 -5.968 819 HA MET 13 HA MET 13 12.717 -2.795 -8.253 820 1HB MET 13 2HB MET 13 12.038 -1.171 -6.672 821 2HB MET 13 1HB MET 13 12.735 -2.068 -5.331 822 1HG MET 13 2HG MET 13 14.847 -1.326 -5.745 823 2HG MET 13 1HG MET 13 14.558 -1.124 -7.472 824 1HE MET 13 1HE MET 13 12.444 0.260 -4.395 825 2HE MET 13 2HE MET 13 13.225 1.828 -4.189 826 3HE MET 13 3HE MET 13 14.137 0.344 -3.908 827 H SER 14 H SER 14 15.100 -2.351 -8.177 828 HA SER 14 HA SER 14 16.575 -4.686 -8.192 829 1HB SER 14 2HB SER 14 17.352 -1.790 -8.018 830 2HB SER 14 1HB SER 14 18.589 -3.045 -7.939 831 HG SER 14 HG SER 14 17.483 -3.848 -9.943 832 H GLU 15 H GLU 15 17.966 -5.706 -6.780 833 HA GLU 15 HA GLU 15 17.335 -5.875 -4.119 834 1HB GLU 15 2HB GLU 15 19.986 -6.404 -5.465 835 2HB GLU 15 1HB GLU 15 19.628 -6.866 -3.808 836 1HG GLU 15 2HG GLU 15 18.436 -8.645 -4.434 837 2HG GLU 15 1HG GLU 15 17.638 -7.775 -5.743 838 H GLU 16 H GLU 16 20.324 -4.298 -5.276 839 HA GLU 16 HA GLU 16 21.038 -3.084 -2.904 840 1HB GLU 16 2HB GLU 16 21.484 -1.569 -5.432 841 2HB GLU 16 1HB GLU 16 22.599 -1.901 -4.113 842 1HG GLU 16 2HG GLU 16 23.447 -3.635 -5.190 843 2HG GLU 16 1HG GLU 16 21.848 -4.350 -5.398 844 H MET 17 H MET 17 18.598 -2.146 -5.203 845 HA MET 17 HA MET 17 18.262 0.520 -4.246 846 1HB MET 17 2HB MET 17 16.718 -1.297 -6.053 847 2HB MET 17 1HB MET 17 15.956 0.172 -5.456 848 1HG MET 17 2HG MET 17 18.553 0.827 -6.412 849 2HG MET 17 1HG MET 17 17.726 -0.136 -7.635 850 1HE MET 17 1HE MET 17 15.884 3.690 -5.833 851 2HE MET 17 2HE MET 17 17.281 2.847 -5.163 852 3HE MET 17 3HE MET 17 15.687 2.099 -5.097 853 H GLN 18 H GLN 18 16.913 -2.602 -3.402 854 HA GLN 18 HA GLN 18 14.804 -1.528 -1.783 855 1HB GLN 18 2HB GLN 18 15.364 -4.166 -0.948 856 2HB GLN 18 1HB GLN 18 14.057 -3.617 -1.986 857 1HG GLN 18 2HG GLN 18 16.349 -3.757 -3.599 858 2HG GLN 18 1HG GLN 18 16.326 -5.227 -2.627 859 1HE2 GLN 18 1HE2 GLN 18 13.475 -3.451 -3.596 860 2HE2 GLN 18 2HE2 GLN 18 12.850 -4.657 -4.664 861 H GLN 19 H GLN 19 18.099 -2.615 -1.242 862 HA GLN 19 HA GLN 19 17.912 -2.513 1.621 863 1HB GLN 19 2HB GLN 19 20.121 -2.894 -0.364 864 2HB GLN 19 1HB GLN 19 20.533 -2.453 1.287 865 1HG GLN 19 2HG GLN 19 20.473 -4.938 0.641 866 2HG GLN 19 1HG GLN 19 19.731 -4.435 2.158 867 1HE2 GLN 19 1HE2 GLN 19 19.168 -5.584 -1.070 868 2HE2 GLN 19 2HE2 GLN 19 17.504 -5.995 -0.854 869 H ASP 20 H ASP 20 18.990 -0.398 -0.967 870 HA ASP 20 HA ASP 20 20.010 1.632 0.749 871 1HB ASP 20 2HB ASP 20 19.520 1.313 -2.150 872 2HB ASP 20 1HB ASP 20 19.456 2.968 -1.550 873 H SER 21 H SER 21 16.919 0.822 -0.607 874 HA SER 21 HA SER 21 15.609 3.289 -0.110 875 1HB SER 21 2HB SER 21 13.524 1.970 -0.382 876 2HB SER 21 1HB SER 21 14.679 1.654 -1.676 877 HG SER 21 HG SER 21 14.172 -0.340 -1.091 878 H VAL 22 H VAL 22 15.922 0.263 1.698 879 HA VAL 22 HA VAL 22 14.286 0.923 3.871 880 HB VAL 22 HB VAL 22 16.736 -0.843 3.794 881 1HG1 VAL 22 1HG1 VAL 22 16.438 -0.348 6.059 882 2HG1 VAL 22 2HG1 VAL 22 15.592 -1.879 5.831 883 3HG1 VAL 22 3HG1 VAL 22 14.680 -0.373 5.926 884 1HG2 VAL 22 1HG2 VAL 22 14.062 -2.029 4.020 885 2HG2 VAL 22 2HG2 VAL 22 15.439 -2.510 3.029 886 3HG2 VAL 22 3HG2 VAL 22 14.379 -1.209 2.490 887 H GLU 23 H GLU 23 17.806 1.292 3.452 888 HA GLU 23 HA GLU 23 18.385 2.434 5.918 889 1HB GLU 23 2HB GLU 23 19.668 2.835 3.215 890 2HB GLU 23 1HB GLU 23 20.325 3.521 4.695 891 1HG GLU 23 2HG GLU 23 19.807 0.726 5.057 892 2HG GLU 23 1HG GLU 23 20.794 0.981 3.619 893 H CYS 24 H CYS 24 17.249 3.927 2.929 894 HA CYS 24 HA CYS 24 17.422 6.610 3.815 895 1HB CYS 24 2HB CYS 24 15.954 5.201 1.616 896 2HB CYS 24 1HB CYS 24 15.540 6.870 1.991 897 HG CYS 24 HG CYS 24 18.505 6.595 1.538 898 H ALA 25 H ALA 25 14.989 4.105 4.094 899 HA ALA 25 HA ALA 25 12.937 5.801 5.146 900 1HB ALA 25 1HB ALA 25 13.320 2.908 4.696 901 2HB ALA 25 2HB ALA 25 11.902 3.918 4.418 902 3HB ALA 25 3HB ALA 25 12.263 3.333 6.042 903 H THR 26 H THR 26 15.633 4.011 6.308 904 HA THR 26 HA THR 26 14.992 4.107 9.087 905 HB THR 26 HB THR 26 17.678 3.746 7.745 906 HG1 THR 26 1HG THR 26 17.226 1.612 7.681 907 1HG2 THR 26 1HG2 THR 26 17.508 4.189 10.280 908 2HG2 THR 26 2HG2 THR 26 18.497 2.853 9.689 909 3HG2 THR 26 3HG2 THR 26 16.890 2.539 10.347 910 H GLN 27 H GLN 27 16.881 6.050 6.834 911 HA GLN 27 HA GLN 27 18.119 7.788 8.628 912 1HB GLN 27 2HB GLN 27 17.418 7.823 5.767 913 2HB GLN 27 1HB GLN 27 17.555 9.415 6.498 914 1HG GLN 27 2HG GLN 27 19.772 7.861 7.347 915 2HG GLN 27 1HG GLN 27 19.613 7.695 5.599 916 1HE2 GLN 27 1HE2 GLN 27 19.873 9.493 4.289 917 2HE2 GLN 27 2HE2 GLN 27 20.571 10.966 4.865 918 H ALA 28 H ALA 28 14.958 7.922 7.070 919 HA ALA 28 HA ALA 28 14.174 10.345 8.405 920 1HB ALA 28 1HB ALA 28 12.498 8.328 6.911 921 2HB ALA 28 2HB ALA 28 13.257 9.758 6.213 922 3HB ALA 28 3HB ALA 28 11.978 9.936 7.415 923 H LEU 29 H LEU 29 14.155 6.989 9.116 924 HA LEU 29 HA LEU 29 12.063 7.036 11.066 925 1HB LEU 29 2HB LEU 29 14.174 5.066 10.290 926 2HB LEU 29 1HB LEU 29 13.240 4.827 11.755 927 HG LEU 29 HG LEU 29 11.719 5.364 9.267 928 1HD1 LEU 29 1HD1 LEU 29 12.906 2.662 9.832 929 2HD1 LEU 29 2HD1 LEU 29 13.515 3.775 8.606 930 3HD1 LEU 29 3HD1 LEU 29 11.880 3.126 8.475 931 1HD2 LEU 29 1HD2 LEU 29 10.194 4.929 10.854 932 2HD2 LEU 29 2HD2 LEU 29 11.352 4.085 11.881 933 3HD2 LEU 29 3HD2 LEU 29 10.596 3.242 10.529 934 H GLU 30 H GLU 30 15.539 7.443 11.072 935 HA GLU 30 HA GLU 30 15.653 7.548 13.976 936 1HB GLU 30 2HB GLU 30 17.713 7.633 11.790 937 2HB GLU 30 1HB GLU 30 18.130 8.084 13.438 938 1HG GLU 30 2HG GLU 30 17.453 5.429 12.305 939 2HG GLU 30 1HG GLU 30 18.704 5.882 13.461 940 H LYS 31 H LYS 31 15.488 9.688 11.262 941 HA LYS 31 HA LYS 31 16.373 12.003 12.768 942 1HB LYS 31 2HB LYS 31 15.195 11.770 9.991 943 2HB LYS 31 1HB LYS 31 15.808 13.258 10.700 944 1HG LYS 31 2HG LYS 31 17.460 10.782 10.241 945 2HG LYS 31 1HG LYS 31 17.391 12.166 9.147 946 1HD LYS 31 2HD LYS 31 17.936 13.391 11.508 947 2HD LYS 31 1HD LYS 31 18.777 11.853 11.721 948 1HE LYS 31 2HE LYS 31 19.186 13.052 9.092 949 2HE LYS 31 1HE LYS 31 19.765 14.059 10.418 950 1HZ LYS 31 1HZ LYS 31 21.137 12.284 11.191 951 2HZ LYS 31 2HZ LYS 31 21.443 12.489 9.540 952 3HZ LYS 31 3HZ LYS 31 20.483 11.201 10.067 953 H TYR 32 H TYR 32 13.416 10.422 11.894 954 HA TYR 32 HA TYR 32 11.931 12.187 13.647 955 1HB TYR 32 2HB TYR 32 10.463 11.779 11.144 956 2HB TYR 32 1HB TYR 32 10.634 13.231 12.124 957 HD1 TYR 32 1HD TYR 32 12.744 11.112 9.875 958 HD2 TYR 32 2HD TYR 32 11.671 15.028 11.127 959 HE1 TYR 32 1HE TYR 32 14.245 12.053 8.176 960 HE2 TYR 32 2HE TYR 32 13.169 15.985 9.431 961 HH TYR 32 HH TYR 32 14.148 14.758 6.934 962 H ASN 33 H ASN 33 9.692 11.359 14.020 963 HA ASN 33 HA ASN 33 9.504 8.466 13.511 964 1HB ASN 33 2HB ASN 33 10.225 8.738 15.807 965 2HB ASN 33 1HB ASN 33 8.939 9.901 16.113 966 1HD2 ASN 33 1HD2 ASN 33 9.607 6.543 15.318 967 2HD2 ASN 33 2HD2 ASN 33 8.152 5.901 15.991 968 H ILE 34 H ILE 34 8.267 10.462 11.973 969 HA ILE 34 HA ILE 34 5.434 10.076 12.702 970 HB ILE 34 HB ILE 34 6.451 12.341 11.001 971 1HG1 ILE 34 2HG1 ILE 34 7.485 12.583 13.182 972 2HG1 ILE 34 1HG1 ILE 34 6.200 13.775 13.005 973 1HG2 ILE 34 1HG2 ILE 34 4.266 13.341 11.655 974 2HG2 ILE 34 2HG2 ILE 34 3.853 11.809 12.424 975 3HG2 ILE 34 3HG2 ILE 34 4.127 11.876 10.683 976 1HD1 ILE 34 1HD1 ILE 34 5.898 12.982 15.147 977 2HD1 ILE 34 2HD1 ILE 34 6.278 11.320 14.694 978 3HD1 ILE 34 3HD1 ILE 34 4.740 12.036 14.213 979 H GLU 35 H GLU 35 4.791 8.398 11.472 980 HA GLU 35 HA GLU 35 5.658 7.265 9.257 981 1HB GLU 35 2HB GLU 35 2.761 7.945 9.120 982 2HB GLU 35 1HB GLU 35 3.562 6.397 8.887 983 1HG GLU 35 2HG GLU 35 2.550 5.998 10.876 984 2HG GLU 35 1HG GLU 35 4.073 6.668 11.459 985 H LYS 36 H LYS 36 3.260 9.889 8.881 986 HA LYS 36 HA LYS 36 3.567 10.268 6.166 987 1HB LYS 36 2HB LYS 36 3.070 12.817 7.038 988 2HB LYS 36 1HB LYS 36 1.847 11.584 6.768 989 1HG LYS 36 2HG LYS 36 1.634 11.116 9.026 990 2HG LYS 36 1HG LYS 36 3.207 11.811 9.420 991 1HD LYS 36 2HD LYS 36 1.677 13.394 10.203 992 2HD LYS 36 1HD LYS 36 2.195 14.039 8.645 993 1HE LYS 36 2HE LYS 36 0.089 14.064 7.947 994 2HE LYS 36 1HE LYS 36 -0.019 12.322 8.194 995 1HZ LYS 36 1HZ LYS 36 -1.406 14.248 9.555 996 2HZ LYS 36 2HZ LYS 36 -0.218 13.753 10.651 997 3HZ LYS 36 3HZ LYS 36 -1.276 12.616 9.983 998 H ASP 37 H ASP 37 5.277 11.973 8.788 999 HA ASP 37 HA ASP 37 6.861 13.640 7.237 1000 1HB ASP 37 2HB ASP 37 6.650 13.058 9.931 1001 2HB ASP 37 1HB ASP 37 8.285 12.532 9.541 1002 H ILE 38 H ILE 38 7.886 10.527 8.643 1003 HA ILE 38 HA ILE 38 10.308 10.209 7.450 1004 HB ILE 38 HB ILE 38 8.418 7.879 7.534 1005 1HG1 ILE 38 2HG1 ILE 38 9.806 9.038 9.955 1006 2HG1 ILE 38 1HG1 ILE 38 8.106 9.313 9.583 1007 1HG2 ILE 38 1HG2 ILE 38 11.301 8.089 8.370 1008 2HG2 ILE 38 2HG2 ILE 38 10.781 7.648 6.743 1009 3HG2 ILE 38 3HG2 ILE 38 10.355 6.624 8.114 1010 1HD1 ILE 38 1HD1 ILE 38 9.091 6.516 9.722 1011 2HD1 ILE 38 2HD1 ILE 38 7.504 7.180 10.113 1012 3HD1 ILE 38 3HD1 ILE 38 8.856 7.413 11.222 1013 H ALA 39 H ALA 39 7.171 9.298 6.050 1014 HA ALA 39 HA ALA 39 8.122 8.261 3.637 1015 1HB ALA 39 1HB ALA 39 5.896 8.417 2.834 1016 2HB ALA 39 2HB ALA 39 5.508 9.714 3.964 1017 3HB ALA 39 3HB ALA 39 5.786 8.078 4.560 1018 H ALA 40 H ALA 40 7.186 11.569 4.500 1019 HA ALA 40 HA ALA 40 7.385 12.756 1.996 1020 1HB ALA 40 1HB ALA 40 8.398 14.506 4.054 1021 2HB ALA 40 2HB ALA 40 6.975 13.626 4.609 1022 3HB ALA 40 3HB ALA 40 6.892 14.597 3.140 1023 H HIS 41 H HIS 41 9.885 12.898 4.537 1024 HA HIS 41 HA HIS 41 11.937 13.928 3.010 1025 1HB HIS 41 2HB HIS 41 12.832 11.890 4.923 1026 2HB HIS 41 1HB HIS 41 13.202 13.610 4.854 1027 HD1 HIS 41 1HD HIS 41 12.102 11.573 7.284 1028 HD2 HIS 41 2HD HIS 41 10.258 14.833 5.488 1029 HE1 HIS 41 1HE HIS 41 10.390 12.377 8.943 1030 HE2 HIS 41 2HE HIS 41 9.250 14.317 7.812 1031 H ILE 42 H ILE 42 11.400 10.479 3.740 1032 HA ILE 42 HA ILE 42 13.374 9.314 2.285 1033 HB ILE 42 HB ILE 42 10.508 8.369 2.426 1034 1HG1 ILE 42 2HG1 ILE 42 12.888 7.614 4.136 1035 2HG1 ILE 42 1HG1 ILE 42 11.639 8.757 4.619 1036 1HG2 ILE 42 1HG2 ILE 42 13.038 6.962 1.610 1037 2HG2 ILE 42 2HG2 ILE 42 11.555 7.166 0.678 1038 3HG2 ILE 42 3HG2 ILE 42 11.571 6.107 2.088 1039 1HD1 ILE 42 1HD1 ILE 42 10.114 6.636 3.981 1040 2HD1 ILE 42 2HD1 ILE 42 10.754 6.940 5.596 1041 3HD1 ILE 42 3HD1 ILE 42 11.583 5.820 4.515 1042 H LYS 43 H LYS 43 10.108 9.868 0.943 1043 HA LYS 43 HA LYS 43 10.705 9.253 -1.694 1044 1HB LYS 43 2HB LYS 43 8.426 9.479 -1.193 1045 2HB LYS 43 1HB LYS 43 8.651 11.053 -0.441 1046 1HG LYS 43 2HG LYS 43 9.002 12.088 -2.579 1047 2HG LYS 43 1HG LYS 43 8.971 10.520 -3.386 1048 1HD LYS 43 2HD LYS 43 6.601 10.380 -2.200 1049 2HD LYS 43 1HD LYS 43 6.739 12.137 -2.274 1050 1HE LYS 43 2HE LYS 43 6.152 12.105 -4.414 1051 2HE LYS 43 1HE LYS 43 7.538 11.081 -4.786 1052 1HZ LYS 43 1HZ LYS 43 6.263 9.258 -4.901 1053 2HZ LYS 43 2HZ LYS 43 4.989 10.349 -5.130 1054 3HZ LYS 43 3HZ LYS 43 5.287 9.708 -3.594 1055 H LYS 44 H LYS 44 11.315 12.162 0.126 1056 HA LYS 44 HA LYS 44 11.859 13.875 -2.063 1057 1HB LYS 44 2HB LYS 44 12.171 13.960 0.861 1058 2HB LYS 44 1HB LYS 44 13.345 14.919 -0.029 1059 1HG LYS 44 2HG LYS 44 11.136 15.713 -1.287 1060 2HG LYS 44 1HG LYS 44 10.430 15.288 0.274 1061 1HD LYS 44 2HD LYS 44 11.813 16.824 1.425 1062 2HD LYS 44 1HD LYS 44 12.855 17.051 0.018 1063 1HE LYS 44 2HE LYS 44 10.292 17.716 -0.859 1064 2HE LYS 44 1HE LYS 44 10.422 18.425 0.751 1065 1HZ LYS 44 1HZ LYS 44 11.183 19.898 -1.068 1066 2HZ LYS 44 2HZ LYS 44 12.434 18.809 -1.399 1067 3HZ LYS 44 3HZ LYS 44 12.376 19.601 0.095 1068 H GLU 45 H GLU 45 13.976 11.998 0.078 1069 HA GLU 45 HA GLU 45 16.381 12.767 -1.211 1070 1HB GLU 45 2HB GLU 45 15.715 11.369 1.089 1071 2HB GLU 45 1HB GLU 45 16.476 10.152 0.076 1072 1HG GLU 45 2HG GLU 45 18.397 10.908 0.897 1073 2HG GLU 45 1HG GLU 45 18.175 12.279 -0.191 1074 H PHE 46 H PHE 46 14.251 9.957 -1.553 1075 HA PHE 46 HA PHE 46 15.871 8.529 -3.355 1076 1HB PHE 46 2HB PHE 46 13.176 8.330 -2.304 1077 2HB PHE 46 1HB PHE 46 13.233 7.890 -4.009 1078 HD1 PHE 46 1HD PHE 46 15.006 7.245 -0.801 1079 HD2 PHE 46 2HD PHE 46 13.811 5.739 -4.594 1080 HE1 PHE 46 1HE PHE 46 15.887 5.030 -0.194 1081 HE2 PHE 46 2HE PHE 46 14.687 3.520 -3.996 1082 HZ PHE 46 HZ PHE 46 15.726 3.165 -1.791 1083 H ASP 47 H ASP 47 13.555 11.112 -3.807 1084 HA ASP 47 HA ASP 47 13.364 10.867 -6.637 1085 1HB ASP 47 2HB ASP 47 12.556 12.900 -4.607 1086 2HB ASP 47 1HB ASP 47 12.629 13.397 -6.294 1087 H LYS 48 H LYS 48 15.198 13.048 -4.506 1088 HA LYS 48 HA LYS 48 16.579 14.264 -6.713 1089 1HB LYS 48 2HB LYS 48 16.531 14.574 -3.763 1090 2HB LYS 48 1HB LYS 48 18.007 15.071 -4.582 1091 1HG LYS 48 2HG LYS 48 15.581 16.060 -5.863 1092 2HG LYS 48 1HG LYS 48 15.788 16.622 -4.203 1093 1HD LYS 48 2HD LYS 48 16.815 18.147 -5.842 1094 2HD LYS 48 1HD LYS 48 18.004 17.458 -4.735 1095 1HE LYS 48 2HE LYS 48 19.104 16.434 -6.390 1096 2HE LYS 48 1HE LYS 48 17.615 15.846 -7.127 1097 1HZ LYS 48 1HZ LYS 48 17.847 17.372 -8.694 1098 2HZ LYS 48 2HZ LYS 48 19.256 17.959 -7.964 1099 3HZ LYS 48 3HZ LYS 48 17.752 18.605 -7.539 1100 H LYS 49 H LYS 49 17.090 11.523 -4.701 1101 HA LYS 49 HA LYS 49 19.941 11.405 -5.263 1102 1HB LYS 49 2HB LYS 49 18.995 10.769 -3.030 1103 2HB LYS 49 1HB LYS 49 18.232 9.387 -3.805 1104 1HG LYS 49 2HG LYS 49 21.197 9.859 -3.908 1105 2HG LYS 49 1HG LYS 49 20.416 8.963 -2.603 1106 1HD LYS 49 2HD LYS 49 19.382 7.521 -4.434 1107 2HD LYS 49 1HD LYS 49 20.543 8.277 -5.528 1108 1HE LYS 49 2HE LYS 49 21.619 6.326 -4.864 1109 2HE LYS 49 1HE LYS 49 22.313 7.556 -3.807 1110 1HZ LYS 49 1HZ LYS 49 21.769 6.134 -2.189 1111 2HZ LYS 49 2HZ LYS 49 20.670 5.278 -3.150 1112 3HZ LYS 49 3HZ LYS 49 20.190 6.709 -2.387 1113 H TYR 50 H TYR 50 16.961 9.915 -6.329 1114 HA TYR 50 HA TYR 50 18.532 8.196 -8.132 1115 1HB TYR 50 2HB TYR 50 15.725 7.767 -7.094 1116 2HB TYR 50 1HB TYR 50 16.578 6.700 -8.205 1117 HD1 TYR 50 1HD TYR 50 18.458 5.332 -7.416 1118 HD2 TYR 50 2HD TYR 50 16.235 7.776 -4.736 1119 HE1 TYR 50 1HE TYR 50 19.411 4.101 -5.513 1120 HE2 TYR 50 2HE TYR 50 17.182 6.552 -2.826 1121 HH TYR 50 HH TYR 50 18.999 5.163 -2.245 1122 H ASN 51 H ASN 51 15.239 9.601 -8.059 1123 HA ASN 51 HA ASN 51 15.271 11.364 -10.070 1124 1HB ASN 51 2HB ASN 51 16.213 9.987 -11.721 1125 2HB ASN 51 1HB ASN 51 15.301 8.574 -11.196 1126 1HD2 ASN 51 1HD2 ASN 51 13.932 11.758 -11.660 1127 2HD2 ASN 51 2HD2 ASN 51 12.956 11.351 -13.026 1128 HA PRO 52 HA PRO 52 11.186 11.217 -8.222 1129 1HB PRO 52 2HB PRO 52 10.765 13.163 -10.444 1130 2HB PRO 52 1HB PRO 52 10.283 13.271 -8.746 1131 1HG PRO 52 2HG PRO 52 12.385 14.630 -9.644 1132 2HG PRO 52 1HG PRO 52 12.409 13.867 -8.043 1133 1HD PRO 52 2HD PRO 52 13.767 13.038 -10.554 1134 2HD PRO 52 1HD PRO 52 14.281 12.831 -8.870 1135 H THR 53 H THR 53 8.840 9.626 -10.333 1136 HA THR 53 HA THR 53 9.647 11.009 -7.870 1137 HB THR 53 HB THR 53 7.829 12.212 -8.987 1138 HG1 THR 53 1HG THR 53 7.652 12.393 -6.834 1139 1HG2 THR 53 1HG2 THR 53 5.657 10.465 -8.485 1140 2HG2 THR 53 2HG2 THR 53 6.819 9.636 -9.522 1141 3HG2 THR 53 3HG2 THR 53 6.163 11.200 -10.006 1142 H TRP 54 H TRP 54 9.785 9.775 -6.130 1143 HA TRP 54 HA TRP 54 8.882 7.019 -6.275 1144 1HB TRP 54 2HB TRP 54 10.510 8.435 -4.158 1145 2HB TRP 54 1HB TRP 54 10.208 6.703 -4.234 1146 HD1 TRP 54 HD TRP 54 11.920 9.438 -6.387 1147 HE1 TRP 54 1HE TRP 54 13.898 8.345 -7.614 1148 HE3 TRP 54 3HE TRP 54 11.254 4.614 -4.860 1149 HZ2 TRP 54 2HZ TRP 54 15.040 5.776 -7.888 1150 HZ3 TRP 54 3HZ TRP 54 12.825 2.903 -5.651 1151 HH2 TRP 54 HH TRP 54 14.681 3.465 -7.129 1152 H HIS 55 H HIS 55 6.955 6.450 -5.543 1153 HA HIS 55 HA HIS 55 5.624 8.095 -3.517 1154 1HB HIS 55 2HB HIS 55 4.285 5.737 -4.766 1155 2HB HIS 55 1HB HIS 55 3.607 7.293 -4.299 1156 HD1 HIS 55 1HD HIS 55 2.870 6.228 -7.014 1157 HD2 HIS 55 2HD HIS 55 6.212 8.612 -6.367 1158 HE1 HIS 55 1HE HIS 55 3.398 7.265 -9.243 1159 HE2 HIS 55 2HE HIS 55 5.402 8.731 -8.821 1160 H CYS 56 H CYS 56 6.128 7.522 -1.489 1161 HA CYS 56 HA CYS 56 6.249 4.639 -0.883 1162 1HB CYS 56 2HB CYS 56 8.140 4.890 0.378 1163 2HB CYS 56 1HB CYS 56 8.404 6.176 -0.796 1164 HG CYS 56 HG CYS 56 8.289 7.840 1.000 1165 H ILE 57 H ILE 57 5.509 3.923 1.102 1166 HA ILE 57 HA ILE 57 3.948 5.837 2.705 1167 HB ILE 57 HB ILE 57 3.011 3.036 2.094 1168 1HG1 ILE 57 2HG1 ILE 57 2.926 4.232 0.014 1169 2HG1 ILE 57 1HG1 ILE 57 1.289 4.163 0.657 1170 1HG2 ILE 57 1HG2 ILE 57 1.726 5.403 3.444 1171 2HG2 ILE 57 2HG2 ILE 57 2.148 3.850 4.166 1172 3HG2 ILE 57 3HG2 ILE 57 0.853 3.945 2.972 1173 1HD1 ILE 57 1HD1 ILE 57 1.137 6.375 0.784 1174 2HD1 ILE 57 2HD1 ILE 57 2.555 6.398 -0.264 1175 3HD1 ILE 57 3HD1 ILE 57 2.747 6.539 1.484 1176 H VAL 58 H VAL 58 4.965 5.891 4.615 1177 HA VAL 58 HA VAL 58 5.974 3.363 5.733 1178 HB VAL 58 HB VAL 58 7.775 4.904 5.493 1179 1HG1 VAL 58 1HG1 VAL 58 7.652 7.126 5.748 1180 2HG1 VAL 58 2HG1 VAL 58 6.742 7.002 7.254 1181 3HG1 VAL 58 3HG1 VAL 58 5.907 6.868 5.705 1182 1HG2 VAL 58 1HG2 VAL 58 6.877 3.994 8.047 1183 2HG2 VAL 58 2HG2 VAL 58 7.710 5.536 8.242 1184 3HG2 VAL 58 3HG2 VAL 58 8.528 4.186 7.456 1185 H GLY 59 H GLY 59 4.991 2.538 7.454 1186 1HA GLY 59 2HA GLY 59 3.527 4.344 9.253 1187 2HA GLY 59 1HA GLY 59 2.705 2.942 8.582 1188 H ARG 60 H ARG 60 2.498 1.458 10.138 1189 HA ARG 60 HA ARG 60 4.809 0.317 11.346 1190 1HB ARG 60 2HB ARG 60 3.656 0.801 13.695 1191 2HB ARG 60 1HB ARG 60 4.870 1.861 12.996 1192 1HG ARG 60 2HG ARG 60 2.703 2.969 11.925 1193 2HG ARG 60 1HG ARG 60 1.972 2.285 13.379 1194 1HD ARG 60 2HD ARG 60 4.339 4.153 13.268 1195 2HD ARG 60 1HD ARG 60 2.706 4.567 13.785 1196 HE ARG 60 HE ARG 60 3.114 2.846 15.603 1197 1HH1 ARG 60 1HH1 ARG 60 5.660 4.720 14.144 1198 2HH1 ARG 60 2HH1 ARG 60 6.689 4.648 15.535 1199 1HH2 ARG 60 1HH2 ARG 60 4.461 2.746 17.444 1200 2HH2 ARG 60 2HH2 ARG 60 6.007 3.525 17.411 1201 H ASN 61 H ASN 61 1.865 0.018 10.096 1202 HA ASN 61 HA ASN 61 1.480 -2.633 10.500 1203 1HB ASN 61 2HB ASN 61 1.315 -1.774 12.973 1204 2HB ASN 61 1HB ASN 61 -0.324 -1.330 12.508 1205 1HD2 ASN 61 1HD2 ASN 61 1.520 -4.091 11.359 1206 2HD2 ASN 61 2HD2 ASN 61 0.492 -5.298 12.044 1207 H PHE 62 H PHE 62 0.937 -0.471 8.668 1208 HA PHE 62 HA PHE 62 -1.953 -0.317 8.473 1209 1HB PHE 62 2HB PHE 62 -1.590 1.213 6.668 1210 2HB PHE 62 1HB PHE 62 -0.436 1.617 7.936 1211 HD1 PHE 62 1HD PHE 62 -0.552 1.956 4.737 1212 HD2 PHE 62 2HD PHE 62 1.621 -0.468 7.475 1213 HE1 PHE 62 1HE PHE 62 1.281 1.769 3.108 1214 HE2 PHE 62 2HE PHE 62 3.461 -0.659 5.851 1215 HZ PHE 62 HZ PHE 62 3.291 0.461 3.664 1216 H GLY 63 H GLY 63 -2.467 -0.397 5.833 1217 1HA GLY 63 2HA GLY 63 -1.538 -3.027 4.889 1218 2HA GLY 63 1HA GLY 63 -3.262 -2.704 5.010 1219 H SER 64 H SER 64 -0.280 -1.595 3.475 1220 HA SER 64 HA SER 64 -1.581 0.092 1.595 1221 1HB SER 64 2HB SER 64 0.527 0.536 0.736 1222 2HB SER 64 1HB SER 64 0.920 0.043 2.384 1223 HG SER 64 HG SER 64 0.821 -1.875 0.331 1224 H TYR 65 H TYR 65 -2.130 -0.236 -0.506 1225 HA TYR 65 HA TYR 65 -1.726 -2.851 -1.722 1226 1HB TYR 65 2HB TYR 65 -3.902 -2.904 -0.440 1227 2HB TYR 65 1HB TYR 65 -4.490 -1.644 -1.519 1228 HD1 TYR 65 1HD TYR 65 -3.083 -5.094 -1.545 1229 HD2 TYR 65 2HD TYR 65 -5.523 -2.224 -3.521 1230 HE1 TYR 65 1HE TYR 65 -3.794 -6.815 -3.154 1231 HE2 TYR 65 2HE TYR 65 -6.240 -3.934 -5.134 1232 HH TYR 65 HH TYR 65 -4.938 -6.358 -5.947 1233 H VAL 66 H VAL 66 -0.305 -1.423 -2.964 1234 HA VAL 66 HA VAL 66 -1.797 0.018 -5.057 1235 HB VAL 66 HB VAL 66 -0.104 1.668 -5.229 1236 1HG1 VAL 66 1HG1 VAL 66 -1.075 2.709 -3.526 1237 2HG1 VAL 66 2HG1 VAL 66 0.111 1.976 -2.446 1238 3HG1 VAL 66 3HG1 VAL 66 -1.432 1.173 -2.737 1239 1HG2 VAL 66 1HG2 VAL 66 2.037 1.261 -4.794 1240 2HG2 VAL 66 2HG2 VAL 66 1.588 -0.346 -4.223 1241 3HG2 VAL 66 3HG2 VAL 66 1.676 0.999 -3.087 1242 H THR 67 H THR 67 -1.407 -0.576 -7.088 1243 HA THR 67 HA THR 67 0.362 -2.783 -7.601 1244 HB THR 67 HB THR 67 -1.934 -2.319 -8.672 1245 HG1 THR 67 1HG THR 67 0.381 -3.190 -9.997 1246 1HG2 THR 67 1HG2 THR 67 -0.201 -0.574 -10.396 1247 2HG2 THR 67 2HG2 THR 67 -1.621 -0.089 -9.471 1248 3HG2 THR 67 3HG2 THR 67 -1.797 -1.172 -10.852 1249 H HIS 68 H HIS 68 2.368 -2.740 -8.412 1250 HA HIS 68 HA HIS 68 3.737 -0.252 -8.686 1251 1HB HIS 68 2HB HIS 68 5.702 -1.530 -8.994 1252 2HB HIS 68 1HB HIS 68 4.716 -2.465 -7.875 1253 HD1 HIS 68 1HD HIS 68 2.860 -3.573 -10.296 1254 HD2 HIS 68 2HD HIS 68 6.992 -3.830 -9.935 1255 HE1 HIS 68 1HE HIS 68 3.539 -5.530 -11.722 1256 HE2 HIS 68 2HE HIS 68 6.040 -5.694 -11.455 1257 H GLU 69 H GLU 69 5.306 -0.110 -10.713 1258 HA GLU 69 HA GLU 69 4.181 -0.933 -13.212 1259 1HB GLU 69 2HB GLU 69 4.116 1.769 -13.708 1260 2HB GLU 69 1HB GLU 69 2.712 0.747 -13.435 1261 1HG GLU 69 2HG GLU 69 3.174 1.282 -10.922 1262 2HG GLU 69 1HG GLU 69 4.055 2.657 -11.586 1263 H THR 70 H THR 70 6.722 -1.168 -11.982 1264 HA THR 70 HA THR 70 8.414 -0.507 -14.092 1265 HB THR 70 HB THR 70 9.744 1.189 -12.392 1266 HG1 THR 70 1HG THR 70 8.377 2.149 -11.150 1267 1HG2 THR 70 1HG2 THR 70 9.640 2.616 -14.094 1268 2HG2 THR 70 2HG2 THR 70 7.877 2.628 -14.099 1269 3HG2 THR 70 3HG2 THR 70 8.751 1.344 -14.933 1270 H LYS 71 H LYS 71 10.107 0.328 -11.330 1271 HA LYS 71 HA LYS 71 10.548 -2.324 -10.295 1272 1HB LYS 71 2HB LYS 71 12.999 -2.295 -10.845 1273 2HB LYS 71 1HB LYS 71 11.939 -2.552 -12.224 1274 1HG LYS 71 2HG LYS 71 12.713 -0.749 -13.261 1275 2HG LYS 71 1HG LYS 71 12.485 0.257 -11.828 1276 1HD LYS 71 2HD LYS 71 14.725 0.379 -11.800 1277 2HD LYS 71 1HD LYS 71 14.652 -1.249 -11.124 1278 1HE LYS 71 2HE LYS 71 15.583 -2.137 -12.943 1279 2HE LYS 71 1HE LYS 71 14.467 -1.286 -14.010 1280 1HZ LYS 71 1HZ LYS 71 15.882 0.677 -13.844 1281 2HZ LYS 71 2HZ LYS 71 16.744 -0.644 -14.453 1282 3HZ LYS 71 3HZ LYS 71 16.960 -0.163 -12.847 1283 H HIS 72 H HIS 72 9.832 0.422 -9.426 1284 HA HIS 72 HA HIS 72 11.928 0.742 -7.383 1285 1HB HIS 72 2HB HIS 72 10.232 3.006 -8.431 1286 2HB HIS 72 1HB HIS 72 11.673 3.109 -7.426 1287 HD1 HIS 72 1HD HIS 72 10.593 2.458 -10.967 1288 HD2 HIS 72 2HD HIS 72 14.081 3.098 -8.800 1289 HE1 HIS 72 1HE HIS 72 12.400 2.789 -12.684 1290 HE2 HIS 72 2HE HIS 72 14.492 3.224 -11.352 1291 H PHE 73 H PHE 73 9.838 -0.980 -6.988 1292 HA PHE 73 HA PHE 73 8.179 0.481 -5.038 1293 1HB PHE 73 2HB PHE 73 6.625 -0.136 -6.675 1294 2HB PHE 73 1HB PHE 73 7.431 -1.665 -7.001 1295 HD1 PHE 73 1HD PHE 73 5.971 -0.016 -3.983 1296 HD2 PHE 73 2HD PHE 73 6.169 -3.481 -6.444 1297 HE1 PHE 73 1HE PHE 73 4.385 -1.162 -2.492 1298 HE2 PHE 73 2HE PHE 73 4.583 -4.633 -4.958 1299 HZ PHE 73 HZ PHE 73 3.688 -3.473 -2.979 1300 H ILE 74 H ILE 74 9.561 0.017 -3.314 1301 HA ILE 74 HA ILE 74 9.944 -2.832 -2.695 1302 HB ILE 74 HB ILE 74 11.993 -1.423 -2.799 1303 1HG1 ILE 74 2HG1 ILE 74 11.119 -2.894 -0.339 1304 2HG1 ILE 74 1HG1 ILE 74 12.306 -3.357 -1.548 1305 1HG2 ILE 74 1HG2 ILE 74 12.338 0.080 -0.762 1306 2HG2 ILE 74 2HG2 ILE 74 10.587 0.011 -0.563 1307 3HG2 ILE 74 3HG2 ILE 74 11.282 0.681 -2.040 1308 1HD1 ILE 74 1HD1 ILE 74 12.913 -2.540 0.934 1309 2HD1 ILE 74 2HD1 ILE 74 13.003 -1.006 0.069 1310 3HD1 ILE 74 3HD1 ILE 74 13.992 -2.372 -0.450 1311 H TYR 75 H TYR 75 9.013 -3.727 -0.984 1312 HA TYR 75 HA TYR 75 7.657 -1.962 0.942 1313 1HB TYR 75 2HB TYR 75 6.199 -3.378 -0.657 1314 2HB TYR 75 1HB TYR 75 6.722 -4.753 0.311 1315 HD1 TYR 75 1HD TYR 75 5.523 -5.329 2.214 1316 HD2 TYR 75 2HD TYR 75 5.151 -1.388 0.655 1317 HE1 TYR 75 1HE TYR 75 3.755 -4.854 3.854 1318 HE2 TYR 75 2HE TYR 75 3.381 -0.901 2.292 1319 HH TYR 75 HH TYR 75 2.268 -3.378 4.585 1320 H PHE 76 H PHE 76 8.091 -2.302 3.059 1321 HA PHE 76 HA PHE 76 9.093 -4.811 4.020 1322 1HB PHE 76 2HB PHE 76 11.219 -3.677 4.943 1323 2HB PHE 76 1HB PHE 76 11.206 -4.170 3.255 1324 HD1 PHE 76 1HD PHE 76 10.019 -2.151 1.751 1325 HD2 PHE 76 2HD PHE 76 12.335 -1.719 5.294 1326 HE1 PHE 76 1HE PHE 76 10.607 0.142 1.080 1327 HE2 PHE 76 2HE PHE 76 12.925 0.576 4.632 1328 HZ PHE 76 HZ PHE 76 12.060 1.509 2.524 1329 H TYR 77 H TYR 77 9.670 -4.676 6.364 1330 HA TYR 77 HA TYR 77 8.170 -2.526 7.704 1331 1HB TYR 77 2HB TYR 77 6.693 -4.356 7.847 1332 2HB TYR 77 1HB TYR 77 7.999 -5.497 8.145 1333 HD1 TYR 77 1HD TYR 77 5.599 -3.258 9.630 1334 HD2 TYR 77 2HD TYR 77 9.165 -5.455 10.375 1335 HE1 TYR 77 1HE TYR 77 5.215 -3.050 12.049 1336 HE2 TYR 77 2HE TYR 77 8.790 -5.254 12.797 1337 HH TYR 77 HH TYR 77 7.080 -3.170 14.225 1338 H LEU 78 H LEU 78 9.582 -1.382 8.823 1339 HA LEU 78 HA LEU 78 12.109 -2.361 9.681 1340 1HB LEU 78 2HB LEU 78 10.542 0.149 10.214 1341 2HB LEU 78 1HB LEU 78 12.064 -0.156 11.026 1342 HG LEU 78 HG LEU 78 11.939 1.291 8.825 1343 1HD1 LEU 78 1HD1 LEU 78 14.029 -0.655 9.695 1344 2HD1 LEU 78 2HD1 LEU 78 13.992 1.101 9.856 1345 3HD1 LEU 78 3HD1 LEU 78 14.283 0.366 8.279 1346 1HD2 LEU 78 1HD2 LEU 78 12.722 -0.254 6.914 1347 2HD2 LEU 78 2HD2 LEU 78 10.995 -0.141 7.251 1348 3HD2 LEU 78 3HD2 LEU 78 11.916 -1.533 7.819 1349 H GLY 79 H GLY 79 12.822 -2.186 12.015 1350 1HA GLY 79 2HA GLY 79 11.945 -4.027 13.677 1351 2HA GLY 79 1HA GLY 79 12.428 -2.464 14.319 1352 H GLN 80 H GLN 80 10.541 -0.761 13.965 1353 HA GLN 80 HA GLN 80 7.983 -2.012 14.687 1354 1HB GLN 80 2HB GLN 80 7.847 0.187 16.218 1355 2HB GLN 80 1HB GLN 80 8.458 -1.351 16.811 1356 1HG GLN 80 2HG GLN 80 10.496 -0.529 17.134 1357 2HG GLN 80 1HG GLN 80 10.526 0.244 15.551 1358 1HE2 GLN 80 1HE2 GLN 80 10.123 2.383 15.386 1359 2HE2 GLN 80 2HE2 GLN 80 9.797 3.417 16.732 1360 H VAL 81 H VAL 81 8.831 -0.998 12.183 1361 HA VAL 81 HA VAL 81 6.738 0.962 11.734 1362 HB VAL 81 HB VAL 81 9.625 1.536 11.048 1363 1HG1 VAL 81 1HG1 VAL 81 7.085 2.834 10.115 1364 2HG1 VAL 81 2HG1 VAL 81 8.431 2.230 9.151 1365 3HG1 VAL 81 3HG1 VAL 81 8.625 3.689 10.123 1366 1HG2 VAL 81 1HG2 VAL 81 9.358 3.497 12.430 1367 2HG2 VAL 81 2HG2 VAL 81 8.926 2.063 13.360 1368 3HG2 VAL 81 3HG2 VAL 81 7.662 3.108 12.713 1369 H ALA 82 H ALA 82 6.568 1.423 9.299 1370 HA ALA 82 HA ALA 82 7.500 -0.855 7.703 1371 1HB ALA 82 1HB ALA 82 4.914 -0.308 6.777 1372 2HB ALA 82 2HB ALA 82 4.791 -0.393 8.534 1373 3HB ALA 82 3HB ALA 82 5.470 -1.748 7.629 1374 H ILE 83 H ILE 83 7.741 -0.450 5.499 1375 HA ILE 83 HA ILE 83 7.300 2.318 4.621 1376 HB ILE 83 HB ILE 83 9.700 1.085 3.484 1377 1HG1 ILE 83 2HG1 ILE 83 9.739 0.304 5.905 1378 2HG1 ILE 83 1HG1 ILE 83 11.130 1.242 5.376 1379 1HG2 ILE 83 1HG2 ILE 83 8.959 3.412 3.113 1380 2HG2 ILE 83 2HG2 ILE 83 10.595 3.303 3.763 1381 3HG2 ILE 83 3HG2 ILE 83 9.254 3.750 4.819 1382 1HD1 ILE 83 1HD1 ILE 83 10.369 1.862 7.619 1383 2HD1 ILE 83 2HD1 ILE 83 8.804 2.325 6.951 1384 3HD1 ILE 83 3HD1 ILE 83 10.258 3.208 6.484 1385 H LEU 84 H LEU 84 6.421 2.504 2.657 1386 HA LEU 84 HA LEU 84 6.402 0.131 0.910 1387 1HB LEU 84 2HB LEU 84 4.207 0.236 1.700 1388 2HB LEU 84 1HB LEU 84 4.181 1.988 1.681 1389 HG LEU 84 HG LEU 84 4.422 1.611 -0.935 1390 1HD1 LEU 84 1HD1 LEU 84 2.699 -0.735 -0.322 1391 2HD1 LEU 84 2HD1 LEU 84 4.450 -0.949 -0.334 1392 3HD1 LEU 84 3HD1 LEU 84 3.624 -0.361 -1.776 1393 1HD2 LEU 84 1HD2 LEU 84 1.781 1.352 -0.832 1394 2HD2 LEU 84 2HD2 LEU 84 2.597 2.842 -0.361 1395 3HD2 LEU 84 3HD2 LEU 84 2.072 1.697 0.872 1396 H LEU 85 H LEU 85 8.224 1.017 -0.195 1397 HA LEU 85 HA LEU 85 7.921 3.570 -1.540 1398 1HB LEU 85 2HB LEU 85 10.093 1.916 -0.736 1399 2HB LEU 85 1HB LEU 85 10.189 2.122 -2.475 1400 HG LEU 85 HG LEU 85 9.930 4.646 -1.979 1401 1HD1 LEU 85 1HD1 LEU 85 9.751 3.632 0.635 1402 2HD1 LEU 85 2HD1 LEU 85 9.826 5.319 0.128 1403 3HD1 LEU 85 3HD1 LEU 85 11.309 4.449 0.517 1404 1HD2 LEU 85 1HD2 LEU 85 12.191 4.865 -2.166 1405 2HD2 LEU 85 2HD2 LEU 85 12.037 3.155 -2.572 1406 3HD2 LEU 85 3HD2 LEU 85 12.524 3.637 -0.946 1407 H PHE 86 H PHE 86 7.339 3.859 -3.598 1408 HA PHE 86 HA PHE 86 7.636 1.812 -5.579 1409 1HB PHE 86 2HB PHE 86 5.535 1.000 -5.776 1410 2HB PHE 86 1HB PHE 86 5.381 1.514 -4.102 1411 HD1 PHE 86 1HD PHE 86 3.933 3.294 -3.489 1412 HD2 PHE 86 2HD PHE 86 4.596 2.378 -7.591 1413 HE1 PHE 86 1HE PHE 86 2.043 4.741 -4.112 1414 HE2 PHE 86 2HE PHE 86 2.709 3.824 -8.223 1415 HZ PHE 86 HZ PHE 86 1.428 5.007 -6.482 1416 H LYS 87 H LYS 87 8.059 2.767 -7.446 1417 HA LYS 87 HA LYS 87 7.264 5.578 -7.797 1418 1HB LYS 87 2HB LYS 87 9.716 4.192 -8.206 1419 2HB LYS 87 1HB LYS 87 9.140 4.736 -9.775 1420 1HG LYS 87 2HG LYS 87 9.102 6.999 -9.064 1421 2HG LYS 87 1HG LYS 87 9.397 6.534 -7.385 1422 1HD LYS 87 2HD LYS 87 11.537 7.027 -7.930 1423 2HD LYS 87 1HD LYS 87 11.516 5.375 -8.551 1424 1HE LYS 87 2HE LYS 87 10.555 6.711 -10.691 1425 2HE LYS 87 1HE LYS 87 11.604 7.946 -9.994 1426 1HZ LYS 87 1HZ LYS 87 12.388 5.898 -11.615 1427 2HZ LYS 87 2HZ LYS 87 12.854 5.375 -10.076 1428 3HZ LYS 87 3HZ LYS 87 13.408 6.860 -10.666 1429 H SER 88 H SER 88 6.234 6.261 -9.656 1430 HA SER 88 HA SER 88 4.879 4.163 -11.153 1431 1HB SER 88 2HB SER 88 4.246 6.857 -10.342 1432 2HB SER 88 1HB SER 88 4.028 6.675 -12.082 1433 HG SER 88 HG SER 88 2.857 4.644 -11.400 1434 H GLY 89 H GLY 89 7.731 5.056 -11.484 1435 1HA GLY 89 2HA GLY 89 8.031 4.582 -14.202 1436 2HA GLY 89 1HA GLY 89 7.975 6.328 -14.011 Start of MODEL 13 1 1H MET 1 1HT MET 1 -21.796 -0.053 9.582 2 2H MET 1 2HT MET 1 -23.460 0.354 9.679 3 3H MET 1 3HT MET 1 -22.444 1.149 8.547 4 HA MET 1 HA MET 1 -22.092 -1.433 7.943 5 1HB MET 1 2HB MET 1 -24.858 -0.923 8.994 6 2HB MET 1 1HB MET 1 -24.613 -2.074 7.688 7 1HG MET 1 2HG MET 1 -24.013 -3.634 9.130 8 2HG MET 1 1HG MET 1 -22.721 -2.607 9.747 9 1HE MET 1 1HE MET 1 -23.776 -2.958 13.258 10 2HE MET 1 2HE MET 1 -22.718 -1.895 12.332 11 3HE MET 1 3HE MET 1 -22.770 -3.621 11.971 12 H CYS 2 H CYS 2 -23.326 1.665 7.506 13 HA CYS 2 HA CYS 2 -23.046 1.518 4.669 14 1HB CYS 2 2HB CYS 2 -25.782 2.427 5.358 15 2HB CYS 2 1HB CYS 2 -25.202 1.580 3.927 16 HG CYS 2 HG CYS 2 -25.468 -0.648 5.139 17 H ASP 3 H ASP 3 -21.535 3.160 5.248 18 HA ASP 3 HA ASP 3 -22.290 5.744 4.755 19 1HB ASP 3 2HB ASP 3 -22.843 4.971 7.511 20 2HB ASP 3 1HB ASP 3 -21.772 6.366 7.410 21 H ARG 4 H ARG 4 -20.585 7.371 5.368 22 HA ARG 4 HA ARG 4 -18.056 6.444 4.663 23 1HB ARG 4 2HB ARG 4 -18.075 8.895 6.291 24 2HB ARG 4 1HB ARG 4 -17.455 8.624 4.668 25 1HG ARG 4 2HG ARG 4 -20.283 8.477 4.552 26 2HG ARG 4 1HG ARG 4 -19.842 9.924 5.461 27 1HD ARG 4 2HD ARG 4 -18.145 10.298 3.528 28 2HD ARG 4 1HD ARG 4 -19.182 9.182 2.639 29 HE ARG 4 HE ARG 4 -20.904 10.770 2.689 30 1HH1 ARG 4 1HH1 ARG 4 -18.044 11.887 4.332 31 2HH1 ARG 4 2HH1 ARG 4 -18.534 13.549 4.329 32 1HH2 ARG 4 1HH2 ARG 4 -21.560 12.953 2.680 33 2HH2 ARG 4 2HH2 ARG 4 -20.535 14.156 3.389 34 H LYS 5 H LYS 5 -18.637 8.027 7.788 35 HA LYS 5 HA LYS 5 -17.887 7.580 9.889 36 1HB LYS 5 2HB LYS 5 -18.845 5.228 9.119 37 2HB LYS 5 1HB LYS 5 -17.147 4.778 9.184 38 1HG LYS 5 2HG LYS 5 -18.314 4.254 11.263 39 2HG LYS 5 1HG LYS 5 -17.031 5.439 11.512 40 1HD LYS 5 2HD LYS 5 -18.996 7.151 11.125 41 2HD LYS 5 1HD LYS 5 -19.988 5.782 11.629 42 1HE LYS 5 2HE LYS 5 -17.626 6.313 13.301 43 2HE LYS 5 1HE LYS 5 -18.865 7.568 13.328 44 1HZ LYS 5 1HZ LYS 5 -20.492 5.750 13.810 45 2HZ LYS 5 2HZ LYS 5 -19.371 6.043 15.043 46 3HZ LYS 5 3HZ LYS 5 -19.179 4.704 14.028 47 H ALA 6 H ALA 6 -16.118 8.424 7.717 48 HA ALA 6 HA ALA 6 -13.557 7.560 8.880 49 1HB ALA 6 1HB ALA 6 -13.800 8.411 6.020 50 2HB ALA 6 2HB ALA 6 -14.110 6.743 6.503 51 3HB ALA 6 3HB ALA 6 -12.528 7.467 6.795 52 H VAL 7 H VAL 7 -11.773 9.172 8.381 53 HA VAL 7 HA VAL 7 -12.826 11.918 8.590 54 HB VAL 7 HB VAL 7 -10.340 10.841 9.929 55 1HG1 VAL 7 1HG1 VAL 7 -9.874 12.936 10.655 56 2HG1 VAL 7 2HG1 VAL 7 -11.572 13.407 10.731 57 3HG1 VAL 7 3HG1 VAL 7 -10.733 13.379 9.180 58 1HG2 VAL 7 1HG2 VAL 7 -12.794 10.215 10.738 59 2HG2 VAL 7 2HG2 VAL 7 -12.670 11.805 11.490 60 3HG2 VAL 7 3HG2 VAL 7 -11.487 10.554 11.873 61 H ILE 8 H ILE 8 -12.575 12.115 6.291 62 HA ILE 8 HA ILE 8 -10.245 11.630 4.864 63 HB ILE 8 HB ILE 8 -12.680 13.209 4.426 64 1HG1 ILE 8 2HG1 ILE 8 -11.848 12.245 2.009 65 2HG1 ILE 8 1HG1 ILE 8 -11.063 11.130 3.122 66 1HG2 ILE 8 1HG2 ILE 8 -11.963 14.708 2.805 67 2HG2 ILE 8 2HG2 ILE 8 -10.400 13.914 2.619 68 3HG2 ILE 8 3HG2 ILE 8 -10.736 14.870 4.062 69 1HD1 ILE 8 1HD1 ILE 8 -12.984 10.009 3.063 70 2HD1 ILE 8 2HD1 ILE 8 -13.864 11.377 2.380 71 3HD1 ILE 8 3HD1 ILE 8 -13.606 11.274 4.122 72 H LYS 9 H LYS 9 -8.385 12.682 4.534 73 HA LYS 9 HA LYS 9 -7.985 15.251 5.920 74 1HB LYS 9 2HB LYS 9 -5.682 13.388 5.604 75 2HB LYS 9 1HB LYS 9 -6.007 14.564 6.870 76 1HG LYS 9 2HG LYS 9 -7.588 12.028 6.583 77 2HG LYS 9 1HG LYS 9 -6.101 12.125 7.528 78 1HD LYS 9 2HD LYS 9 -7.328 14.198 8.606 79 2HD LYS 9 1HD LYS 9 -8.769 13.348 8.042 80 1HE LYS 9 2HE LYS 9 -8.654 12.161 9.926 81 2HE LYS 9 1HE LYS 9 -7.254 11.359 9.217 82 1HZ LYS 9 1HZ LYS 9 -6.065 13.483 10.205 83 2HZ LYS 9 2HZ LYS 9 -6.328 12.094 11.133 84 3HZ LYS 9 3HZ LYS 9 -7.368 13.419 11.281 85 H ASN 10 H ASN 10 -7.853 13.473 3.075 86 HA ASN 10 HA ASN 10 -7.071 15.651 1.480 87 1HB ASN 10 2HB ASN 10 -4.852 14.867 2.591 88 2HB ASN 10 1HB ASN 10 -4.955 13.520 1.460 89 1HD2 ASN 10 1HD2 ASN 10 -3.638 13.856 -0.169 90 2HD2 ASN 10 2HD2 ASN 10 -3.407 15.350 -1.005 91 H ALA 11 H ALA 11 -8.120 15.300 -0.374 92 HA ALA 11 HA ALA 11 -8.068 12.654 -1.582 93 1HB ALA 11 1HB ALA 11 -10.538 12.617 -1.839 94 2HB ALA 11 2HB ALA 11 -10.628 13.999 -0.747 95 3HB ALA 11 3HB ALA 11 -9.991 12.460 -0.170 96 H ASP 12 H ASP 12 -6.938 13.574 -3.304 97 HA ASP 12 HA ASP 12 -7.965 15.840 -4.734 98 1HB ASP 12 2HB ASP 12 -5.523 14.496 -4.640 99 2HB ASP 12 1HB ASP 12 -6.137 14.165 -6.257 100 H MET 13 H MET 13 -9.721 13.553 -4.322 101 HA MET 13 HA MET 13 -10.242 12.781 -7.116 102 1HB MET 13 2HB MET 13 -9.897 10.769 -6.014 103 2HB MET 13 1HB MET 13 -10.598 11.350 -4.513 104 1HG MET 13 2HG MET 13 -12.764 11.426 -6.110 105 2HG MET 13 1HG MET 13 -11.876 10.089 -6.839 106 1HE MET 13 1HE MET 13 -10.613 8.633 -3.694 107 2HE MET 13 2HE MET 13 -10.647 8.471 -5.450 108 3HE MET 13 3HE MET 13 -11.629 7.403 -4.447 109 H SER 14 H SER 14 -12.563 12.466 -7.645 110 HA SER 14 HA SER 14 -14.051 14.778 -7.196 111 1HB SER 14 2HB SER 14 -14.933 13.792 -9.031 112 2HB SER 14 1HB SER 14 -14.497 12.175 -8.483 113 HG SER 14 HG SER 14 -16.832 12.778 -8.616 114 H GLU 15 H GLU 15 -15.607 15.365 -5.767 115 HA GLU 15 HA GLU 15 -15.662 14.529 -3.195 116 1HB GLU 15 2HB GLU 15 -17.991 15.576 -4.810 117 2HB GLU 15 1HB GLU 15 -17.984 15.453 -3.056 118 1HG GLU 15 2HG GLU 15 -17.239 17.548 -3.094 119 2HG GLU 15 1HG GLU 15 -15.685 16.841 -3.535 120 H GLU 16 H GLU 16 -18.516 13.759 -5.147 121 HA GLU 16 HA GLU 16 -19.580 11.762 -3.677 122 1HB GLU 16 2HB GLU 16 -19.497 11.207 -6.594 123 2HB GLU 16 1HB GLU 16 -20.868 11.232 -5.492 124 1HG GLU 16 2HG GLU 16 -19.468 13.759 -6.267 125 2HG GLU 16 1HG GLU 16 -20.699 13.042 -7.305 126 H MET 17 H MET 17 -16.684 11.586 -5.570 127 HA MET 17 HA MET 17 -16.491 8.731 -5.594 128 1HB MET 17 2HB MET 17 -14.629 10.985 -6.268 129 2HB MET 17 1HB MET 17 -14.028 9.336 -6.175 130 1HG MET 17 2HG MET 17 -16.377 9.299 -7.744 131 2HG MET 17 1HG MET 17 -15.374 10.631 -8.313 132 1HE MET 17 1HE MET 17 -13.823 7.309 -6.675 133 2HE MET 17 2HE MET 17 -13.999 6.242 -8.067 134 3HE MET 17 3HE MET 17 -15.430 6.923 -7.291 135 H GLN 18 H GLN 18 -15.098 11.331 -3.632 136 HA GLN 18 HA GLN 18 -13.411 9.692 -2.072 137 1HB GLN 18 2HB GLN 18 -14.356 11.955 -0.566 138 2HB GLN 18 1HB GLN 18 -12.757 11.654 -1.232 139 1HG GLN 18 2HG GLN 18 -14.242 12.384 -3.436 140 2HG GLN 18 1HG GLN 18 -14.855 13.429 -2.153 141 1HE2 GLN 18 1HE2 GLN 18 -11.766 12.206 -3.398 142 2HE2 GLN 18 2HE2 GLN 18 -10.915 13.701 -3.244 143 H GLN 19 H GLN 19 -16.799 10.541 -1.816 144 HA GLN 19 HA GLN 19 -17.116 9.498 0.837 145 1HB GLN 19 2HB GLN 19 -19.175 10.159 -1.281 146 2HB GLN 19 1HB GLN 19 -19.537 9.767 0.395 147 1HG GLN 19 2HG GLN 19 -18.479 11.752 1.171 148 2HG GLN 19 1HG GLN 19 -17.824 12.094 -0.430 149 1HE2 GLN 19 1HE2 GLN 19 -19.703 13.529 1.463 150 2HE2 GLN 19 2HE2 GLN 19 -21.050 13.958 0.472 151 H ASP 20 H ASP 20 -17.725 8.392 -2.446 152 HA ASP 20 HA ASP 20 -18.856 5.898 -1.687 153 1HB ASP 20 2HB ASP 20 -18.055 7.225 -4.188 154 2HB ASP 20 1HB ASP 20 -17.882 5.472 -4.213 155 H SER 21 H SER 21 -15.652 7.114 -2.233 156 HA SER 21 HA SER 21 -14.303 4.634 -2.451 157 1HB SER 21 2HB SER 21 -13.159 6.599 -3.202 158 2HB SER 21 1HB SER 21 -13.371 7.394 -1.642 159 HG SER 21 HG SER 21 -11.250 6.345 -2.169 160 H VAL 22 H VAL 22 -14.982 6.799 0.275 161 HA VAL 22 HA VAL 22 -13.615 5.349 2.249 162 HB VAL 22 HB VAL 22 -16.131 6.983 2.621 163 1HG1 VAL 22 1HG1 VAL 22 -14.461 5.509 4.441 164 2HG1 VAL 22 2HG1 VAL 22 -15.970 6.367 4.749 165 3HG1 VAL 22 3HG1 VAL 22 -14.434 7.230 4.830 166 1HG2 VAL 22 1HG2 VAL 22 -14.940 8.889 2.500 167 2HG2 VAL 22 2HG2 VAL 22 -13.829 7.913 1.539 168 3HG2 VAL 22 3HG2 VAL 22 -13.518 8.171 3.255 169 H GLU 23 H GLU 23 -16.994 5.194 1.157 170 HA GLU 23 HA GLU 23 -17.916 3.264 2.942 171 1HB GLU 23 2HB GLU 23 -18.718 3.578 0.041 172 2HB GLU 23 1HB GLU 23 -19.656 2.781 1.297 173 1HG GLU 23 2HG GLU 23 -19.062 5.398 2.196 174 2HG GLU 23 1HG GLU 23 -19.653 5.513 0.539 175 H CYS 24 H CYS 24 -16.207 2.917 -0.128 176 HA CYS 24 HA CYS 24 -16.363 0.089 -0.258 177 1HB CYS 24 2HB CYS 24 -15.575 1.967 -2.014 178 2HB CYS 24 1HB CYS 24 -13.995 1.458 -1.428 179 HG CYS 24 HG CYS 24 -15.926 -0.671 -2.598 180 H ALA 25 H ALA 25 -14.067 2.339 1.188 181 HA ALA 25 HA ALA 25 -12.144 0.370 1.926 182 1HB ALA 25 1HB ALA 25 -12.425 2.837 3.555 183 2HB ALA 25 2HB ALA 25 -12.043 3.042 1.845 184 3HB ALA 25 3HB ALA 25 -10.979 2.088 2.879 185 H THR 26 H THR 26 -15.114 1.554 3.137 186 HA THR 26 HA THR 26 -14.898 0.542 5.798 187 HB THR 26 HB THR 26 -17.510 1.026 4.411 188 HG1 THR 26 1HG THR 26 -16.595 3.293 5.472 189 1HG2 THR 26 1HG2 THR 26 -17.598 2.386 6.728 190 2HG2 THR 26 2HG2 THR 26 -16.506 1.069 7.160 191 3HG2 THR 26 3HG2 THR 26 -18.117 0.712 6.535 192 H GLN 27 H GLN 27 -16.274 -0.566 2.746 193 HA GLN 27 HA GLN 27 -17.595 -2.848 3.647 194 1HB GLN 27 2HB GLN 27 -16.123 -2.705 1.022 195 2HB GLN 27 1HB GLN 27 -17.594 -3.593 1.393 196 1HG GLN 27 2HG GLN 27 -18.424 -1.096 1.920 197 2HG GLN 27 1HG GLN 27 -17.215 -0.760 0.682 198 1HE2 GLN 27 1HE2 GLN 27 -18.869 -0.059 -0.714 199 2HE2 GLN 27 2HE2 GLN 27 -19.895 -1.184 -1.532 200 H ALA 28 H ALA 28 -14.251 -2.353 2.643 201 HA ALA 28 HA ALA 28 -13.499 -5.087 3.174 202 1HB ALA 28 1HB ALA 28 -11.944 -2.623 2.429 203 2HB ALA 28 2HB ALA 28 -12.286 -4.044 1.442 204 3HB ALA 28 3HB ALA 28 -11.164 -4.161 2.797 205 H LEU 29 H LEU 29 -13.730 -2.153 4.947 206 HA LEU 29 HA LEU 29 -11.826 -2.771 6.975 207 1HB LEU 29 2HB LEU 29 -14.003 -0.761 6.654 208 2HB LEU 29 1HB LEU 29 -13.286 -1.008 8.237 209 HG LEU 29 HG LEU 29 -11.477 -0.541 5.918 210 1HD1 LEU 29 1HD1 LEU 29 -12.615 1.328 5.424 211 2HD1 LEU 29 2HD1 LEU 29 -11.779 1.963 6.842 212 3HD1 LEU 29 3HD1 LEU 29 -13.436 1.372 6.984 213 1HD2 LEU 29 1HD2 LEU 29 -10.450 0.853 7.920 214 2HD2 LEU 29 2HD2 LEU 29 -10.204 -0.887 7.774 215 3HD2 LEU 29 3HD2 LEU 29 -11.433 -0.259 8.872 216 H GLU 30 H GLU 30 -15.343 -3.075 6.699 217 HA GLU 30 HA GLU 30 -15.594 -4.250 9.319 218 1HB GLU 30 2HB GLU 30 -17.954 -4.402 8.830 219 2HB GLU 30 1HB GLU 30 -17.364 -2.821 8.334 220 1HG GLU 30 2HG GLU 30 -18.091 -3.148 6.277 221 2HG GLU 30 1HG GLU 30 -17.151 -4.634 6.142 222 H LYS 31 H LYS 31 -15.302 -5.368 6.025 223 HA LYS 31 HA LYS 31 -16.136 -8.055 6.603 224 1HB LYS 31 2HB LYS 31 -15.015 -6.629 4.236 225 2HB LYS 31 1HB LYS 31 -14.897 -8.382 4.284 226 1HG LYS 31 2HG LYS 31 -17.128 -8.681 4.024 227 2HG LYS 31 1HG LYS 31 -17.540 -7.199 4.889 228 1HD LYS 31 2HD LYS 31 -17.691 -6.049 2.987 229 2HD LYS 31 1HD LYS 31 -16.103 -6.609 2.458 230 1HE LYS 31 2HE LYS 31 -18.738 -8.038 2.121 231 2HE LYS 31 1HE LYS 31 -17.766 -7.293 0.852 232 1HZ LYS 31 1HZ LYS 31 -16.253 -8.981 0.890 233 2HZ LYS 31 2HZ LYS 31 -17.642 -9.847 1.317 234 3HZ LYS 31 3HZ LYS 31 -16.540 -9.375 2.511 235 H TYR 32 H TYR 32 -13.093 -6.320 6.378 236 HA TYR 32 HA TYR 32 -11.769 -8.479 7.788 237 1HB TYR 32 2HB TYR 32 -10.016 -7.625 5.655 238 2HB TYR 32 1HB TYR 32 -10.488 -9.253 6.124 239 HD1 TYR 32 1HD TYR 32 -12.314 -6.371 4.574 240 HD2 TYR 32 2HD TYR 32 -11.191 -10.464 4.305 241 HE1 TYR 32 1HE TYR 32 -13.604 -6.580 2.493 242 HE2 TYR 32 2HE TYR 32 -12.479 -10.686 2.224 243 HH TYR 32 HH TYR 32 -13.833 -7.935 0.593 244 H ASN 33 H ASN 33 -9.808 -7.845 8.801 245 HA ASN 33 HA ASN 33 -9.326 -4.939 8.799 246 1HB ASN 33 2HB ASN 33 -8.935 -6.578 11.280 247 2HB ASN 33 1HB ASN 33 -9.218 -4.847 11.125 248 1HD2 ASN 33 1HD2 ASN 33 -10.628 -7.935 11.491 249 2HD2 ASN 33 2HD2 ASN 33 -12.278 -7.427 11.547 250 H ILE 34 H ILE 34 -7.934 -6.906 7.257 251 HA ILE 34 HA ILE 34 -5.359 -7.172 8.628 252 HB ILE 34 HB ILE 34 -6.169 -8.277 5.940 253 1HG1 ILE 34 2HG1 ILE 34 -7.562 -9.289 7.621 254 2HG1 ILE 34 1HG1 ILE 34 -6.325 -10.454 7.157 255 1HG2 ILE 34 1HG2 ILE 34 -3.658 -7.932 6.986 256 2HG2 ILE 34 2HG2 ILE 34 -4.101 -9.090 5.731 257 3HG2 ILE 34 3HG2 ILE 34 -4.037 -9.599 7.418 258 1HD1 ILE 34 1HD1 ILE 34 -5.260 -10.326 9.168 259 2HD1 ILE 34 2HD1 ILE 34 -6.933 -10.057 9.661 260 3HD1 ILE 34 3HD1 ILE 34 -5.832 -8.690 9.493 261 H GLU 35 H GLU 35 -6.320 -4.575 7.721 262 HA GLU 35 HA GLU 35 -5.732 -2.793 6.393 263 1HB GLU 35 2HB GLU 35 -3.116 -4.065 7.174 264 2HB GLU 35 1HB GLU 35 -3.179 -2.551 6.281 265 1HG GLU 35 2HG GLU 35 -3.170 -1.611 8.304 266 2HG GLU 35 1HG GLU 35 -4.885 -2.025 8.320 267 H LYS 36 H LYS 36 -3.015 -4.752 5.301 268 HA LYS 36 HA LYS 36 -3.082 -4.111 2.660 269 1HB LYS 36 2HB LYS 36 -2.441 -6.842 2.647 270 2HB LYS 36 1HB LYS 36 -1.324 -5.488 2.745 271 1HG LYS 36 2HG LYS 36 -1.457 -5.554 5.185 272 2HG LYS 36 1HG LYS 36 -2.573 -6.917 5.084 273 1HD LYS 36 2HD LYS 36 -0.782 -8.244 5.146 274 2HD LYS 36 1HD LYS 36 -0.411 -7.679 3.517 275 1HE LYS 36 2HE LYS 36 0.486 -6.216 5.985 276 2HE LYS 36 1HE LYS 36 1.445 -7.497 5.243 277 1HZ LYS 36 1HZ LYS 36 2.040 -5.207 4.529 278 2HZ LYS 36 2HZ LYS 36 0.524 -5.082 3.788 279 3HZ LYS 36 3HZ LYS 36 1.633 -6.240 3.252 280 H ASP 37 H ASP 37 -4.790 -6.858 4.148 281 HA ASP 37 HA ASP 37 -6.055 -7.849 1.883 282 1HB ASP 37 2HB ASP 37 -6.102 -8.426 4.584 283 2HB ASP 37 1HB ASP 37 -7.750 -7.891 4.271 284 H ILE 38 H ILE 38 -7.326 -5.500 4.239 285 HA ILE 38 HA ILE 38 -9.735 -4.938 2.987 286 HB ILE 38 HB ILE 38 -7.992 -3.021 4.545 287 1HG1 ILE 38 2HG1 ILE 38 -10.339 -4.162 5.865 288 2HG1 ILE 38 1HG1 ILE 38 -9.152 -5.379 5.410 289 1HG2 ILE 38 1HG2 ILE 38 -10.782 -2.533 4.843 290 2HG2 ILE 38 2HG2 ILE 38 -10.389 -2.566 3.125 291 3HG2 ILE 38 3HG2 ILE 38 -9.532 -1.465 4.204 292 1HD1 ILE 38 1HD1 ILE 38 -8.130 -4.884 7.314 293 2HD1 ILE 38 2HD1 ILE 38 -9.079 -3.414 7.534 294 3HD1 ILE 38 3HD1 ILE 38 -7.624 -3.384 6.538 295 H ALA 39 H ALA 39 -6.726 -3.025 2.745 296 HA ALA 39 HA ALA 39 -7.502 -1.218 0.829 297 1HB ALA 39 1HB ALA 39 -5.080 -1.158 0.154 298 2HB ALA 39 2HB ALA 39 -4.813 -2.504 1.261 299 3HB ALA 39 3HB ALA 39 -5.385 -0.954 1.879 300 H ALA 40 H ALA 40 -6.350 -4.525 0.364 301 HA ALA 40 HA ALA 40 -6.069 -4.555 -2.395 302 1HB ALA 40 1HB ALA 40 -6.000 -6.853 -2.251 303 2HB ALA 40 2HB ALA 40 -7.242 -6.919 -1.001 304 3HB ALA 40 3HB ALA 40 -5.610 -6.389 -0.595 305 H HIS 41 H HIS 41 -8.888 -5.870 -0.665 306 HA HIS 41 HA HIS 41 -10.593 -6.149 -2.798 307 1HB HIS 41 2HB HIS 41 -11.854 -5.146 -0.318 308 2HB HIS 41 1HB HIS 41 -12.196 -6.602 -1.247 309 HD1 HIS 41 1HD HIS 41 -11.519 -6.086 1.978 310 HD2 HIS 41 2HD HIS 41 -9.304 -8.098 -0.901 311 HE1 HIS 41 1HE HIS 41 -10.032 -7.664 3.253 312 HE2 HIS 41 2HE HIS 41 -8.738 -8.909 1.487 313 H ILE 42 H ILE 42 -10.132 -3.283 -0.769 314 HA ILE 42 HA ILE 42 -12.068 -1.609 -1.769 315 HB ILE 42 HB ILE 42 -9.250 -0.905 -0.945 316 1HG1 ILE 42 2HG1 ILE 42 -11.763 -0.473 0.650 317 2HG1 ILE 42 1HG1 ILE 42 -10.928 -2.023 0.686 318 1HG2 ILE 42 1HG2 ILE 42 -9.731 1.066 -1.913 319 2HG2 ILE 42 2HG2 ILE 42 -10.690 1.327 -0.457 320 3HG2 ILE 42 3HG2 ILE 42 -11.466 0.754 -1.932 321 1HD1 ILE 42 1HD1 ILE 42 -9.113 -1.171 1.798 322 2HD1 ILE 42 2HD1 ILE 42 -10.424 -0.207 2.479 323 3HD1 ILE 42 3HD1 ILE 42 -9.392 0.471 1.220 324 H LYS 43 H LYS 43 -8.778 -2.085 -3.024 325 HA LYS 43 HA LYS 43 -9.045 -0.296 -5.197 326 1HB LYS 43 2HB LYS 43 -6.868 -1.012 -4.305 327 2HB LYS 43 1HB LYS 43 -7.174 -2.649 -4.869 328 1HG LYS 43 2HG LYS 43 -7.360 -0.533 -6.909 329 2HG LYS 43 1HG LYS 43 -5.754 -0.833 -6.241 330 1HD LYS 43 2HD LYS 43 -5.671 -2.986 -7.057 331 2HD LYS 43 1HD LYS 43 -7.428 -3.149 -7.099 332 1HE LYS 43 2HE LYS 43 -7.570 -1.729 -9.029 333 2HE LYS 43 1HE LYS 43 -5.853 -1.344 -8.929 334 1HZ LYS 43 1HZ LYS 43 -5.274 -3.279 -9.886 335 2HZ LYS 43 2HZ LYS 43 -6.847 -3.237 -10.508 336 3HZ LYS 43 3HZ LYS 43 -6.506 -4.165 -9.135 337 H LYS 44 H LYS 44 -8.973 -3.868 -5.205 338 HA LYS 44 HA LYS 44 -9.512 -4.434 -7.783 339 1HB LYS 44 2HB LYS 44 -9.420 -5.958 -5.627 340 2HB LYS 44 1HB LYS 44 -11.172 -5.865 -5.753 341 1HG LYS 44 2HG LYS 44 -10.642 -6.523 -8.269 342 2HG LYS 44 1HG LYS 44 -9.211 -7.222 -7.507 343 1HD LYS 44 2HD LYS 44 -10.390 -8.884 -6.571 344 2HD LYS 44 1HD LYS 44 -11.688 -7.799 -6.072 345 1HE LYS 44 2HE LYS 44 -11.439 -9.476 -8.474 346 2HE LYS 44 1HE LYS 44 -12.878 -8.946 -7.604 347 1HZ LYS 44 1HZ LYS 44 -12.835 -6.875 -8.702 348 2HZ LYS 44 2HZ LYS 44 -12.601 -8.038 -9.907 349 3HZ LYS 44 3HZ LYS 44 -11.287 -7.140 -9.333 350 H GLU 45 H GLU 45 -12.072 -3.891 -5.377 351 HA GLU 45 HA GLU 45 -14.209 -3.911 -7.189 352 1HB GLU 45 2HB GLU 45 -14.409 -4.134 -4.714 353 2HB GLU 45 1HB GLU 45 -14.066 -2.415 -4.569 354 1HG GLU 45 2HG GLU 45 -16.268 -2.137 -4.635 355 2HG GLU 45 1HG GLU 45 -16.132 -2.457 -6.364 356 H PHE 46 H PHE 46 -12.154 -1.276 -6.057 357 HA PHE 46 HA PHE 46 -13.673 0.809 -7.245 358 1HB PHE 46 2HB PHE 46 -11.294 0.583 -5.676 359 2HB PHE 46 1HB PHE 46 -10.953 1.601 -7.071 360 HD1 PHE 46 1HD PHE 46 -12.049 1.626 -3.790 361 HD2 PHE 46 2HD PHE 46 -12.912 3.357 -7.578 362 HE1 PHE 46 1HE PHE 46 -13.156 3.515 -2.669 363 HE2 PHE 46 2HE PHE 46 -14.019 5.251 -6.465 364 HZ PHE 46 HZ PHE 46 -14.142 5.331 -4.006 365 H ASP 47 H ASP 47 -11.263 -1.381 -8.445 366 HA ASP 47 HA ASP 47 -10.869 0.173 -10.875 367 1HB ASP 47 2HB ASP 47 -8.965 -1.016 -11.174 368 2HB ASP 47 1HB ASP 47 -9.182 -1.453 -9.483 369 H LYS 48 H LYS 48 -12.942 -2.199 -9.684 370 HA LYS 48 HA LYS 48 -13.668 -3.053 -12.398 371 1HB LYS 48 2HB LYS 48 -13.351 -5.081 -11.439 372 2HB LYS 48 1HB LYS 48 -13.530 -4.452 -9.810 373 1HG LYS 48 2HG LYS 48 -15.405 -5.673 -9.812 374 2HG LYS 48 1HG LYS 48 -16.082 -4.297 -10.684 375 1HD LYS 48 2HD LYS 48 -14.724 -6.092 -12.488 376 2HD LYS 48 1HD LYS 48 -15.948 -6.952 -11.549 377 1HE LYS 48 2HE LYS 48 -16.261 -4.734 -13.511 378 2HE LYS 48 1HE LYS 48 -17.206 -6.210 -13.319 379 1HZ LYS 48 1HZ LYS 48 -18.092 -3.847 -12.565 380 2HZ LYS 48 2HZ LYS 48 -17.308 -4.285 -11.132 381 3HZ LYS 48 3HZ LYS 48 -18.529 -5.272 -11.763 382 H LYS 49 H LYS 49 -14.578 -1.065 -9.894 383 HA LYS 49 HA LYS 49 -17.426 -1.212 -10.587 384 1HB LYS 49 2HB LYS 49 -16.416 -1.294 -8.135 385 2HB LYS 49 1HB LYS 49 -16.447 0.454 -8.319 386 1HG LYS 49 2HG LYS 49 -18.938 -0.779 -9.144 387 2HG LYS 49 1HG LYS 49 -18.526 -1.144 -7.468 388 1HD LYS 49 2HD LYS 49 -17.958 1.531 -7.647 389 2HD LYS 49 1HD LYS 49 -19.371 1.372 -8.692 390 1HE LYS 49 2HE LYS 49 -19.498 -0.026 -6.093 391 2HE LYS 49 1HE LYS 49 -19.518 1.737 -6.032 392 1HZ LYS 49 1HZ LYS 49 -21.595 -0.044 -6.767 393 2HZ LYS 49 2HZ LYS 49 -21.274 1.023 -8.038 394 3HZ LYS 49 3HZ LYS 49 -21.665 1.627 -6.507 395 H TYR 50 H TYR 50 -14.609 0.769 -10.797 396 HA TYR 50 HA TYR 50 -16.248 2.933 -11.949 397 1HB TYR 50 2HB TYR 50 -13.633 3.250 -10.463 398 2HB TYR 50 1HB TYR 50 -14.599 4.548 -11.155 399 HD1 TYR 50 1HD TYR 50 -15.002 1.698 -8.768 400 HD2 TYR 50 2HD TYR 50 -15.954 5.734 -9.720 401 HE1 TYR 50 1HE TYR 50 -16.222 1.905 -6.644 402 HE2 TYR 50 2HE TYR 50 -17.178 5.951 -7.599 403 HH TYR 50 HH TYR 50 -17.367 4.953 -5.470 404 H ASN 51 H ASN 51 -12.836 1.893 -11.855 405 HA ASN 51 HA ASN 51 -12.321 1.038 -14.316 406 1HB ASN 51 2HB ASN 51 -13.161 2.734 -15.629 407 2HB ASN 51 1HB ASN 51 -12.843 3.973 -14.419 408 1HD2 ASN 51 1HD2 ASN 51 -11.627 5.416 -15.439 409 2HD2 ASN 51 2HD2 ASN 51 -10.156 5.073 -16.276 410 HA PRO 52 HA PRO 52 -8.480 1.170 -12.035 411 1HB PRO 52 2HB PRO 52 -6.991 -0.168 -13.906 412 2HB PRO 52 1HB PRO 52 -8.051 -0.960 -12.735 413 1HG PRO 52 2HG PRO 52 -8.574 -0.272 -15.602 414 2HG PRO 52 1HG PRO 52 -8.965 -1.761 -14.720 415 1HD PRO 52 2HD PRO 52 -10.829 0.108 -15.204 416 2HD PRO 52 1HD PRO 52 -10.811 -0.809 -13.684 417 H THR 53 H THR 53 -5.909 3.123 -13.643 418 HA THR 53 HA THR 53 -6.493 0.700 -12.103 419 HB THR 53 HB THR 53 -3.892 2.073 -12.795 420 HG1 THR 53 1HG THR 53 -3.541 0.276 -14.011 421 1HG2 THR 53 1HG2 THR 53 -4.264 -0.395 -11.116 422 2HG2 THR 53 2HG2 THR 53 -3.694 1.173 -10.541 423 3HG2 THR 53 3HG2 THR 53 -2.728 0.253 -11.694 424 H TRP 54 H TRP 54 -6.643 0.724 -9.937 425 HA TRP 54 HA TRP 54 -6.387 3.335 -8.633 426 1HB TRP 54 2HB TRP 54 -7.931 0.870 -7.823 427 2HB TRP 54 1HB TRP 54 -7.844 2.351 -6.874 428 HD1 TRP 54 HD TRP 54 -9.039 1.217 -10.381 429 HE1 TRP 54 1HE TRP 54 -11.027 2.699 -11.055 430 HE3 TRP 54 3HE TRP 54 -9.076 4.387 -6.374 431 HZ2 TRP 54 2HZ TRP 54 -12.435 4.925 -10.021 432 HZ3 TRP 54 3HZ TRP 54 -10.773 6.168 -6.292 433 HH2 TRP 54 HH TRP 54 -12.416 6.431 -8.078 434 H HIS 55 H HIS 55 -5.193 3.668 -6.865 435 HA HIS 55 HA HIS 55 -3.666 1.428 -5.731 436 1HB HIS 55 2HB HIS 55 -2.433 4.153 -6.064 437 2HB HIS 55 1HB HIS 55 -1.633 2.606 -5.806 438 HD1 HIS 55 1HD HIS 55 -0.262 2.237 -7.839 439 HD2 HIS 55 2HD HIS 55 -4.077 3.601 -8.761 440 HE1 HIS 55 1HE HIS 55 -0.410 2.178 -10.349 441 HE2 HIS 55 2HE HIS 55 -2.755 2.928 -10.878 442 H CYS 56 H CYS 56 -4.758 1.288 -3.840 443 HA CYS 56 HA CYS 56 -5.069 3.760 -2.265 444 1HB CYS 56 2HB CYS 56 -7.141 3.116 -1.651 445 2HB CYS 56 1HB CYS 56 -7.047 2.137 -3.110 446 HG CYS 56 HG CYS 56 -6.131 0.697 -0.570 447 H ILE 57 H ILE 57 -5.214 3.407 0.089 448 HA ILE 57 HA ILE 57 -3.495 1.245 1.091 449 HB ILE 57 HB ILE 57 -3.234 4.082 2.082 450 1HG1 ILE 57 2HG1 ILE 57 -2.475 4.148 -0.193 451 2HG1 ILE 57 1HG1 ILE 57 -1.048 4.099 0.837 452 1HG2 ILE 57 1HG2 ILE 57 -0.899 2.639 2.558 453 2HG2 ILE 57 2HG2 ILE 57 -2.209 1.515 2.911 454 3HG2 ILE 57 3HG2 ILE 57 -2.140 3.073 3.734 455 1HD1 ILE 57 1HD1 ILE 57 -0.333 2.244 -0.134 456 2HD1 ILE 57 2HD1 ILE 57 -1.625 2.449 -1.316 457 3HD1 ILE 57 3HD1 ILE 57 -1.885 1.444 0.109 458 H VAL 58 H VAL 58 -3.810 0.818 3.392 459 HA VAL 58 HA VAL 58 -5.972 2.144 4.751 460 HB VAL 58 HB VAL 58 -7.165 0.571 3.239 461 1HG1 VAL 58 1HG1 VAL 58 -6.721 -1.830 4.702 462 2HG1 VAL 58 2HG1 VAL 58 -5.169 -1.212 4.138 463 3HG1 VAL 58 3HG1 VAL 58 -6.469 -1.517 2.986 464 1HG2 VAL 58 1HG2 VAL 58 -7.516 1.006 6.008 465 2HG2 VAL 58 2HG2 VAL 58 -7.936 -0.677 5.687 466 3HG2 VAL 58 3HG2 VAL 58 -8.742 0.619 4.801 467 H GLY 59 H GLY 59 -5.036 2.412 6.672 468 1HA GLY 59 2HA GLY 59 -4.044 0.018 8.051 469 2HA GLY 59 1HA GLY 59 -3.020 1.444 7.969 470 H ARG 60 H ARG 60 -2.992 2.314 9.947 471 HA ARG 60 HA ARG 60 -5.395 3.380 11.051 472 1HB ARG 60 2HB ARG 60 -4.724 2.064 13.284 473 2HB ARG 60 1HB ARG 60 -5.912 1.470 12.132 474 1HG ARG 60 2HG ARG 60 -3.600 0.476 11.099 475 2HG ARG 60 1HG ARG 60 -3.280 0.412 12.833 476 1HD ARG 60 2HD ARG 60 -5.894 -0.573 11.784 477 2HD ARG 60 1HD ARG 60 -4.461 -1.587 11.622 478 HE ARG 60 HE ARG 60 -4.591 -0.724 14.266 479 1HH1 ARG 60 1HH1 ARG 60 -6.409 -2.718 12.064 480 2HH1 ARG 60 2HH1 ARG 60 -7.045 -3.740 13.308 481 1HH2 ARG 60 1HH2 ARG 60 -5.419 -2.065 15.913 482 2HH2 ARG 60 2HH2 ARG 60 -6.482 -3.367 15.499 483 H ASN 61 H ASN 61 -1.967 2.772 11.227 484 HA ASN 61 HA ASN 61 -1.556 5.397 12.382 485 1HB ASN 61 2HB ASN 61 -1.788 3.947 14.369 486 2HB ASN 61 1HB ASN 61 -0.484 2.929 13.768 487 1HD2 ASN 61 1HD2 ASN 61 0.774 3.311 15.581 488 2HD2 ASN 61 2HD2 ASN 61 1.568 4.821 15.851 489 H PHE 62 H PHE 62 -0.982 4.588 9.839 490 HA PHE 62 HA PHE 62 1.899 4.037 9.812 491 1HB PHE 62 2HB PHE 62 1.653 3.309 7.578 492 2HB PHE 62 1HB PHE 62 0.249 2.666 8.423 493 HD1 PHE 62 1HD PHE 62 0.830 3.396 5.386 494 HD2 PHE 62 2HD PHE 62 -1.370 5.206 8.546 495 HE1 PHE 62 1HE PHE 62 -0.640 4.475 3.737 496 HE2 PHE 62 2HE PHE 62 -2.846 6.289 6.904 497 HZ PHE 62 HZ PHE 62 -2.486 5.923 4.494 498 H GLY 63 H GLY 63 2.472 5.116 7.296 499 1HA GLY 63 2HA GLY 63 1.822 7.963 7.460 500 2HA GLY 63 1HA GLY 63 3.514 7.515 7.633 501 H SER 64 H SER 64 0.802 7.731 5.462 502 HA SER 64 HA SER 64 2.199 6.638 3.204 503 1HB SER 64 2HB SER 64 0.176 7.718 1.971 504 2HB SER 64 1HB SER 64 -0.111 6.349 3.044 505 HG SER 64 HG SER 64 -0.195 8.697 4.390 506 H TYR 65 H TYR 65 2.988 7.725 1.411 507 HA TYR 65 HA TYR 65 3.039 10.613 1.350 508 1HB TYR 65 2HB TYR 65 4.972 9.752 2.858 509 2HB TYR 65 1HB TYR 65 5.712 9.238 1.346 510 HD1 TYR 65 1HD TYR 65 6.988 10.744 0.110 511 HD2 TYR 65 2HD TYR 65 4.273 12.234 3.027 512 HE1 TYR 65 1HE TYR 65 7.882 13.011 -0.224 513 HE2 TYR 65 2HE TYR 65 5.158 14.505 2.701 514 HH TYR 65 HH TYR 65 7.569 15.432 1.805 515 H VAL 66 H VAL 66 1.765 9.469 -0.506 516 HA VAL 66 HA VAL 66 3.617 9.176 -2.779 517 HB VAL 66 HB VAL 66 2.223 7.547 -3.794 518 1HG1 VAL 66 1HG1 VAL 66 2.545 6.964 -0.855 519 2HG1 VAL 66 2HG1 VAL 66 3.687 6.603 -2.149 520 3HG1 VAL 66 3HG1 VAL 66 2.145 5.751 -2.071 521 1HG2 VAL 66 1HG2 VAL 66 0.089 8.699 -2.980 522 2HG2 VAL 66 2HG2 VAL 66 0.251 7.702 -1.535 523 3HG2 VAL 66 3HG2 VAL 66 0.063 6.941 -3.115 524 H THR 67 H THR 67 3.144 10.261 -4.631 525 HA THR 67 HA THR 67 1.137 12.344 -4.432 526 HB THR 67 HB THR 67 3.422 12.825 -5.278 527 HG1 THR 67 1HG THR 67 1.406 13.964 -5.971 528 1HG2 THR 67 1HG2 THR 67 4.120 11.049 -6.566 529 2HG2 THR 67 2HG2 THR 67 3.703 12.266 -7.773 530 3HG2 THR 67 3HG2 THR 67 2.588 10.942 -7.433 531 H HIS 68 H HIS 68 -0.529 12.692 -5.949 532 HA HIS 68 HA HIS 68 -1.716 10.266 -6.930 533 1HB HIS 68 2HB HIS 68 -3.649 11.548 -7.360 534 2HB HIS 68 1HB HIS 68 -2.951 12.261 -5.909 535 HD1 HIS 68 1HD HIS 68 -0.734 13.879 -7.616 536 HD2 HIS 68 2HD HIS 68 -4.858 13.946 -8.125 537 HE1 HIS 68 1HE HIS 68 -1.234 16.059 -8.766 538 HE2 HIS 68 2HE HIS 68 -3.742 16.104 -9.013 539 H GLU 69 H GLU 69 -3.029 11.384 -9.224 540 HA GLU 69 HA GLU 69 -0.844 11.862 -11.111 541 1HB GLU 69 2HB GLU 69 -2.906 9.926 -11.999 542 2HB GLU 69 1HB GLU 69 -1.193 10.005 -12.388 543 1HG GLU 69 2HG GLU 69 -1.800 9.331 -9.598 544 2HG GLU 69 1HG GLU 69 -2.322 8.142 -10.790 545 H THR 70 H THR 70 -4.366 11.451 -10.805 546 HA THR 70 HA THR 70 -4.731 13.937 -12.307 547 HB THR 70 HB THR 70 -5.033 12.394 -14.060 548 HG1 THR 70 1HG THR 70 -6.823 13.835 -13.792 549 1HG2 THR 70 1HG2 THR 70 -6.635 10.690 -12.169 550 2HG2 THR 70 2HG2 THR 70 -5.062 10.309 -12.872 551 3HG2 THR 70 3HG2 THR 70 -6.488 10.412 -13.905 552 H LYS 71 H LYS 71 -6.636 11.304 -10.832 553 HA LYS 71 HA LYS 71 -7.755 13.112 -8.882 554 1HB LYS 71 2HB LYS 71 -9.884 11.743 -10.397 555 2HB LYS 71 1HB LYS 71 -9.868 13.347 -9.676 556 1HG LYS 71 2HG LYS 71 -8.102 13.651 -11.726 557 2HG LYS 71 1HG LYS 71 -9.254 12.500 -12.406 558 1HD LYS 71 2HD LYS 71 -10.824 14.405 -11.117 559 2HD LYS 71 1HD LYS 71 -9.550 15.333 -11.910 560 1HE LYS 71 2HE LYS 71 -10.066 14.017 -14.003 561 2HE LYS 71 1HE LYS 71 -11.492 13.405 -13.165 562 1HZ LYS 71 1HZ LYS 71 -11.146 16.290 -13.150 563 2HZ LYS 71 2HZ LYS 71 -12.550 15.368 -13.349 564 3HZ LYS 71 3HZ LYS 71 -11.501 15.601 -14.654 565 H HIS 72 H HIS 72 -10.145 11.121 -8.945 566 HA HIS 72 HA HIS 72 -10.662 9.493 -7.374 567 1HB HIS 72 2HB HIS 72 -8.732 7.927 -9.086 568 2HB HIS 72 1HB HIS 72 -10.176 7.335 -8.271 569 HD1 HIS 72 1HD HIS 72 -11.881 6.800 -9.970 570 HD2 HIS 72 2HD HIS 72 -9.750 10.228 -10.962 571 HE1 HIS 72 1HE HIS 72 -12.901 7.630 -12.114 572 HE2 HIS 72 2HE HIS 72 -11.614 9.719 -12.682 573 H PHE 73 H PHE 73 -8.479 11.099 -6.403 574 HA PHE 73 HA PHE 73 -6.932 9.045 -4.957 575 1HB PHE 73 2HB PHE 73 -5.322 10.256 -6.147 576 2HB PHE 73 1HB PHE 73 -6.165 11.784 -5.925 577 HD1 PHE 73 1HD PHE 73 -4.908 9.147 -3.599 578 HD2 PHE 73 2HD PHE 73 -4.913 13.258 -4.697 579 HE1 PHE 73 1HE PHE 73 -3.465 9.659 -1.672 580 HE2 PHE 73 2HE PHE 73 -3.470 13.778 -2.774 581 HZ PHE 73 HZ PHE 73 -2.743 11.978 -1.258 582 H ILE 74 H ILE 74 -8.089 8.764 -3.119 583 HA ILE 74 HA ILE 74 -8.692 11.178 -1.540 584 HB ILE 74 HB ILE 74 -10.687 9.833 -2.303 585 1HG1 ILE 74 2HG1 ILE 74 -10.085 10.345 0.604 586 2HG1 ILE 74 1HG1 ILE 74 -11.021 11.332 -0.509 587 1HG2 ILE 74 1HG2 ILE 74 -10.848 7.649 -1.917 588 2HG2 ILE 74 2HG2 ILE 74 -10.449 7.852 -0.212 589 3HG2 ILE 74 3HG2 ILE 74 -9.161 7.692 -1.406 590 1HD1 ILE 74 1HD1 ILE 74 -12.875 9.927 -0.374 591 2HD1 ILE 74 2HD1 ILE 74 -12.278 10.040 1.282 592 3HD1 ILE 74 3HD1 ILE 74 -11.936 8.604 0.316 593 H TYR 75 H TYR 75 -8.407 11.049 0.738 594 HA TYR 75 HA TYR 75 -6.998 8.757 1.826 595 1HB TYR 75 2HB TYR 75 -5.214 10.197 0.846 596 2HB TYR 75 1HB TYR 75 -5.736 11.507 1.902 597 HD1 TYR 75 1HD TYR 75 -3.820 11.800 3.242 598 HD2 TYR 75 2HD TYR 75 -5.491 7.915 2.783 599 HE1 TYR 75 1HE TYR 75 -2.343 10.960 5.021 600 HE2 TYR 75 2HE TYR 75 -4.019 7.064 4.560 601 HH TYR 75 HH TYR 75 -2.371 9.029 6.680 602 H PHE 76 H PHE 76 -8.669 8.474 3.240 603 HA PHE 76 HA PHE 76 -9.166 10.643 5.169 604 1HB PHE 76 2HB PHE 76 -11.290 9.211 5.628 605 2HB PHE 76 1HB PHE 76 -11.236 10.224 4.189 606 HD1 PHE 76 1HD PHE 76 -10.118 8.958 2.091 607 HD2 PHE 76 2HD PHE 76 -12.107 7.094 5.359 608 HE1 PHE 76 1HE PHE 76 -10.565 6.984 0.691 609 HE2 PHE 76 2HE PHE 76 -12.557 5.118 3.965 610 HZ PHE 76 HZ PHE 76 -11.785 5.063 1.627 611 H TYR 77 H TYR 77 -10.251 9.467 7.242 612 HA TYR 77 HA TYR 77 -8.630 7.170 8.035 613 1HB TYR 77 2HB TYR 77 -7.226 8.873 8.857 614 2HB TYR 77 1HB TYR 77 -8.587 9.869 9.364 615 HD1 TYR 77 1HD TYR 77 -7.067 6.532 10.074 616 HD2 TYR 77 2HD TYR 77 -9.135 9.918 11.610 617 HE1 TYR 77 1HE TYR 77 -6.892 5.602 12.343 618 HE2 TYR 77 2HE TYR 77 -8.965 8.996 13.884 619 HH TYR 77 HH TYR 77 -8.659 6.314 14.761 620 H LEU 78 H LEU 78 -10.506 5.937 8.090 621 HA LEU 78 HA LEU 78 -12.961 6.567 9.148 622 1HB LEU 78 2HB LEU 78 -11.505 3.929 9.221 623 2HB LEU 78 1HB LEU 78 -13.199 4.120 9.621 624 HG LEU 78 HG LEU 78 -12.562 3.286 7.264 625 1HD1 LEU 78 1HD1 LEU 78 -14.748 3.627 7.122 626 2HD1 LEU 78 2HD1 LEU 78 -14.381 5.229 6.481 627 3HD1 LEU 78 3HD1 LEU 78 -14.672 5.015 8.207 628 1HD2 LEU 78 1HD2 LEU 78 -12.374 5.242 5.652 629 2HD2 LEU 78 2HD2 LEU 78 -10.927 4.824 6.569 630 3HD2 LEU 78 3HD2 LEU 78 -11.906 6.210 7.050 631 H GLY 79 H GLY 79 -13.886 5.420 11.201 632 1HA GLY 79 2HA GLY 79 -13.359 6.709 13.452 633 2HA GLY 79 1HA GLY 79 -13.759 5.000 13.498 634 H GLN 80 H GLN 80 -11.684 3.620 12.832 635 HA GLN 80 HA GLN 80 -9.354 4.703 14.257 636 1HB GLN 80 2HB GLN 80 -9.779 1.830 14.654 637 2HB GLN 80 1HB GLN 80 -9.304 3.067 15.808 638 1HG GLN 80 2HG GLN 80 -11.732 3.798 15.799 639 2HG GLN 80 1HG GLN 80 -12.070 2.294 14.943 640 1HE2 GLN 80 1HE2 GLN 80 -9.569 2.580 17.348 641 2HE2 GLN 80 2HE2 GLN 80 -10.340 1.613 18.555 642 H VAL 81 H VAL 81 -9.855 4.463 11.436 643 HA VAL 81 HA VAL 81 -7.526 2.862 10.738 644 HB VAL 81 HB VAL 81 -10.212 2.433 9.426 645 1HG1 VAL 81 1HG1 VAL 81 -7.709 0.955 8.711 646 2HG1 VAL 81 2HG1 VAL 81 -8.087 2.501 7.952 647 3HG1 VAL 81 3HG1 VAL 81 -9.198 1.142 7.786 648 1HG2 VAL 81 1HG2 VAL 81 -9.921 0.108 10.169 649 2HG2 VAL 81 2HG2 VAL 81 -9.981 1.235 11.525 650 3HG2 VAL 81 3HG2 VAL 81 -8.434 0.571 10.998 651 H ALA 82 H ALA 82 -6.851 3.233 8.464 652 HA ALA 82 HA ALA 82 -7.733 5.847 7.447 653 1HB ALA 82 1HB ALA 82 -4.859 4.938 7.542 654 2HB ALA 82 2HB ALA 82 -5.593 6.049 8.698 655 3HB ALA 82 3HB ALA 82 -5.466 6.502 6.999 656 H ILE 83 H ILE 83 -7.452 6.157 5.179 657 HA ILE 83 HA ILE 83 -6.729 3.807 3.608 658 HB ILE 83 HB ILE 83 -9.182 5.090 2.628 659 1HG1 ILE 83 2HG1 ILE 83 -9.551 5.008 5.123 660 2HG1 ILE 83 1HG1 ILE 83 -10.703 4.076 4.173 661 1HG2 ILE 83 1HG2 ILE 83 -9.735 2.538 2.508 662 2HG2 ILE 83 2HG2 ILE 83 -8.007 2.358 2.814 663 3HG2 ILE 83 3HG2 ILE 83 -8.564 3.252 1.399 664 1HD1 ILE 83 1HD1 ILE 83 -9.267 3.191 6.352 665 2HD1 ILE 83 2HD1 ILE 83 -8.422 2.486 4.974 666 3HD1 ILE 83 3HD1 ILE 83 -10.146 2.189 5.198 667 H LEU 84 H LEU 84 -5.352 4.460 2.112 668 HA LEU 84 HA LEU 84 -5.537 7.218 1.108 669 1HB LEU 84 2HB LEU 84 -3.432 6.761 2.177 670 2HB LEU 84 1HB LEU 84 -3.220 5.295 1.239 671 HG LEU 84 HG LEU 84 -3.333 6.998 -0.793 672 1HD1 LEU 84 1HD1 LEU 84 -2.216 9.098 -0.228 673 2HD1 LEU 84 2HD1 LEU 84 -2.288 8.675 1.483 674 3HD1 LEU 84 3HD1 LEU 84 -3.778 8.953 0.580 675 1HD2 LEU 84 1HD2 LEU 84 -1.484 5.475 -0.270 676 2HD2 LEU 84 2HD2 LEU 84 -0.888 6.619 0.933 677 3HD2 LEU 84 3HD2 LEU 84 -0.900 7.061 -0.774 678 H LEU 85 H LEU 85 -7.123 6.761 -0.467 679 HA LEU 85 HA LEU 85 -6.536 4.797 -2.520 680 1HB LEU 85 2HB LEU 85 -8.870 6.051 -1.508 681 2HB LEU 85 1HB LEU 85 -8.746 6.466 -3.207 682 HG LEU 85 HG LEU 85 -8.334 3.878 -3.484 683 1HD1 LEU 85 1HD1 LEU 85 -8.377 3.678 -0.929 684 2HD1 LEU 85 2HD1 LEU 85 -9.291 2.502 -1.874 685 3HD1 LEU 85 3HD1 LEU 85 -10.126 3.842 -1.087 686 1HD2 LEU 85 1HD2 LEU 85 -10.337 3.932 -4.460 687 2HD2 LEU 85 2HD2 LEU 85 -10.459 5.592 -3.875 688 3HD2 LEU 85 3HD2 LEU 85 -11.160 4.272 -2.937 689 H PHE 86 H PHE 86 -5.916 5.202 -4.577 690 HA PHE 86 HA PHE 86 -6.066 7.687 -5.873 691 1HB PHE 86 2HB PHE 86 -4.053 8.717 -5.559 692 2HB PHE 86 1HB PHE 86 -4.190 7.923 -3.997 693 HD1 PHE 86 1HD PHE 86 -2.807 5.988 -3.461 694 HD2 PHE 86 2HD PHE 86 -2.433 8.011 -7.186 695 HE1 PHE 86 1HE PHE 86 -0.645 4.878 -3.843 696 HE2 PHE 86 2HE PHE 86 -0.272 6.904 -7.576 697 HZ PHE 86 HZ PHE 86 0.625 5.334 -5.904 698 H LYS 87 H LYS 87 -6.038 7.267 -7.979 699 HA LYS 87 HA LYS 87 -5.134 4.689 -8.918 700 1HB LYS 87 2HB LYS 87 -6.482 7.025 -10.273 701 2HB LYS 87 1HB LYS 87 -5.975 5.583 -11.143 702 1HG LYS 87 2HG LYS 87 -7.530 4.231 -10.050 703 2HG LYS 87 1HG LYS 87 -7.783 5.410 -8.761 704 1HD LYS 87 2HD LYS 87 -9.675 5.330 -10.331 705 2HD LYS 87 1HD LYS 87 -8.889 6.911 -10.315 706 1HE LYS 87 2HE LYS 87 -7.667 6.323 -12.350 707 2HE LYS 87 1HE LYS 87 -8.442 4.740 -12.362 708 1HZ LYS 87 1HZ LYS 87 -10.345 5.584 -13.165 709 2HZ LYS 87 2HZ LYS 87 -9.367 6.862 -13.688 710 3HZ LYS 87 3HZ LYS 87 -10.246 7.005 -12.251 711 H SER 88 H SER 88 -4.210 5.096 -11.405 712 HA SER 88 HA SER 88 -1.934 6.922 -11.214 713 1HB SER 88 2HB SER 88 -1.828 3.952 -11.403 714 2HB SER 88 1HB SER 88 -0.647 4.877 -12.330 715 HG SER 88 HG SER 88 0.338 5.408 -10.542 716 H GLY 89 H GLY 89 -4.499 6.568 -12.722 717 1HA GLY 89 2HA GLY 89 -5.247 7.125 -14.828 718 2HA GLY 89 1HA GLY 89 -3.590 7.555 -15.221 719 1H MET 1 1HT MET 1 20.490 2.789 16.028 720 2H MET 1 2HT MET 1 21.661 2.892 17.278 721 3H MET 1 3HT MET 1 20.880 1.398 16.950 722 HA MET 1 HA MET 1 23.201 2.488 15.836 723 1HB MET 1 2HB MET 1 21.818 -0.023 16.261 724 2HB MET 1 1HB MET 1 22.567 0.019 14.672 725 1HG MET 1 2HG MET 1 24.010 -0.956 16.413 726 2HG MET 1 1HG MET 1 24.718 0.455 15.629 727 1HE MET 1 1HE MET 1 23.366 -0.022 19.951 728 2HE MET 1 2HE MET 1 24.468 -1.125 19.126 729 3HE MET 1 3HE MET 1 22.807 -0.951 18.559 730 H CYS 2 H CYS 2 22.920 0.756 13.418 731 HA CYS 2 HA CYS 2 20.974 1.933 11.708 732 1HB CYS 2 2HB CYS 2 23.119 2.845 10.279 733 2HB CYS 2 1HB CYS 2 22.081 3.852 11.283 734 HG CYS 2 HG CYS 2 24.839 3.910 11.714 735 H ASP 3 H ASP 3 22.407 1.710 9.278 736 HA ASP 3 HA ASP 3 23.278 0.204 7.784 737 1HB ASP 3 2HB ASP 3 23.699 -1.482 10.257 738 2HB ASP 3 1HB ASP 3 24.168 -1.990 8.637 739 H ARG 4 H ARG 4 21.537 -0.217 6.558 740 HA ARG 4 HA ARG 4 19.655 -1.213 5.758 741 1HB ARG 4 2HB ARG 4 19.998 -3.696 7.297 742 2HB ARG 4 1HB ARG 4 19.863 -3.455 5.560 743 1HG ARG 4 2HG ARG 4 22.347 -2.390 6.279 744 2HG ARG 4 1HG ARG 4 22.197 -3.908 7.165 745 1HD ARG 4 2HD ARG 4 21.351 -3.992 4.347 746 2HD ARG 4 1HD ARG 4 23.071 -3.714 4.613 747 HE ARG 4 HE ARG 4 21.634 -6.149 5.035 748 1HH1 ARG 4 1HH1 ARG 4 24.364 -4.263 6.092 749 2HH1 ARG 4 2HH1 ARG 4 25.252 -5.633 6.669 750 1HH2 ARG 4 1HH2 ARG 4 22.796 -7.961 5.794 751 2HH2 ARG 4 2HH2 ARG 4 24.362 -7.733 6.499 752 H LYS 5 H LYS 5 19.327 -3.329 8.467 753 HA LYS 5 HA LYS 5 17.735 -3.541 10.076 754 1HB LYS 5 2HB LYS 5 18.878 -1.194 10.587 755 2HB LYS 5 1HB LYS 5 17.275 -0.596 10.176 756 1HG LYS 5 2HG LYS 5 17.539 -2.821 12.140 757 2HG LYS 5 1HG LYS 5 17.886 -1.167 12.645 758 1HD LYS 5 2HD LYS 5 15.659 -0.480 11.866 759 2HD LYS 5 1HD LYS 5 15.317 -2.147 11.398 760 1HE LYS 5 2HE LYS 5 15.554 -0.944 14.120 761 2HE LYS 5 1HE LYS 5 14.319 -2.025 13.475 762 1HZ LYS 5 1HZ LYS 5 15.883 -3.840 13.555 763 2HZ LYS 5 2HZ LYS 5 15.778 -3.122 15.083 764 3HZ LYS 5 3HZ LYS 5 17.115 -2.813 14.094 765 H ALA 6 H ALA 6 15.934 -4.440 9.346 766 HA ALA 6 HA ALA 6 13.527 -3.281 9.034 767 1HB ALA 6 1HB ALA 6 14.341 -1.890 7.241 768 2HB ALA 6 2HB ALA 6 13.187 -3.053 6.589 769 3HB ALA 6 3HB ALA 6 14.918 -3.302 6.357 770 H VAL 7 H VAL 7 12.260 -4.603 6.998 771 HA VAL 7 HA VAL 7 13.133 -7.352 6.893 772 HB VAL 7 HB VAL 7 10.484 -6.817 8.226 773 1HG1 VAL 7 1HG1 VAL 7 11.830 -9.349 8.715 774 2HG1 VAL 7 2HG1 VAL 7 11.501 -9.068 7.005 775 3HG1 VAL 7 3HG1 VAL 7 10.182 -9.027 8.175 776 1HG2 VAL 7 1HG2 VAL 7 11.427 -7.161 10.348 777 2HG2 VAL 7 2HG2 VAL 7 12.517 -6.024 9.553 778 3HG2 VAL 7 3HG2 VAL 7 12.953 -7.728 9.673 779 H ILE 8 H ILE 8 13.047 -6.467 4.657 780 HA ILE 8 HA ILE 8 10.959 -5.568 3.235 781 HB ILE 8 HB ILE 8 13.219 -7.336 2.581 782 1HG1 ILE 8 2HG1 ILE 8 13.218 -5.672 0.599 783 2HG1 ILE 8 1HG1 ILE 8 11.959 -4.833 1.500 784 1HG2 ILE 8 1HG2 ILE 8 11.438 -7.086 0.267 785 2HG2 ILE 8 2HG2 ILE 8 10.871 -8.209 1.504 786 3HG2 ILE 8 3HG2 ILE 8 12.461 -8.431 0.774 787 1HD1 ILE 8 1HD1 ILE 8 14.133 -3.850 1.920 788 2HD1 ILE 8 2HD1 ILE 8 14.747 -5.406 2.477 789 3HD1 ILE 8 3HD1 ILE 8 13.486 -4.578 3.390 790 H LYS 9 H LYS 9 9.219 -6.428 2.068 791 HA LYS 9 HA LYS 9 8.349 -9.145 2.665 792 1HB LYS 9 2HB LYS 9 6.648 -6.725 3.301 793 2HB LYS 9 1HB LYS 9 6.127 -8.401 3.414 794 1HG LYS 9 2HG LYS 9 8.403 -7.254 5.011 795 2HG LYS 9 1HG LYS 9 6.736 -7.330 5.585 796 1HD LYS 9 2HD LYS 9 6.780 -9.783 5.261 797 2HD LYS 9 1HD LYS 9 8.479 -9.665 4.799 798 1HE LYS 9 2HE LYS 9 9.143 -9.042 6.948 799 2HE LYS 9 1HE LYS 9 7.510 -8.569 7.415 800 1HZ LYS 9 1HZ LYS 9 7.426 -11.265 6.735 801 2HZ LYS 9 2HZ LYS 9 7.247 -10.580 8.271 802 3HZ LYS 9 3HZ LYS 9 8.776 -11.062 7.735 803 H ASN 10 H ASN 10 8.786 -6.661 0.584 804 HA ASN 10 HA ASN 10 7.708 -7.929 -1.646 805 1HB ASN 10 2HB ASN 10 5.677 -6.766 -0.177 806 2HB ASN 10 1HB ASN 10 6.036 -5.541 -1.390 807 1HD2 ASN 10 1HD2 ASN 10 6.791 -8.707 -2.325 808 2HD2 ASN 10 2HD2 ASN 10 5.411 -9.000 -3.322 809 H ALA 11 H ALA 11 9.832 -7.282 -2.239 810 HA ALA 11 HA ALA 11 10.140 -4.411 -2.791 811 1HB ALA 11 1HB ALA 11 12.024 -6.531 -1.980 812 2HB ALA 11 2HB ALA 11 12.001 -4.814 -1.579 813 3HB ALA 11 3HB ALA 11 12.627 -5.346 -3.140 814 H ASP 12 H ASP 12 8.724 -4.854 -4.704 815 HA ASP 12 HA ASP 12 9.783 -6.398 -6.872 816 1HB ASP 12 2HB ASP 12 7.408 -4.733 -6.376 817 2HB ASP 12 1HB ASP 12 7.999 -4.662 -8.034 818 H MET 13 H MET 13 11.589 -4.516 -5.731 819 HA MET 13 HA MET 13 12.124 -2.829 -8.075 820 1HB MET 13 2HB MET 13 11.650 -1.103 -6.698 821 2HB MET 13 1HB MET 13 11.763 -2.099 -5.260 822 1HG MET 13 2HG MET 13 14.388 -1.770 -6.194 823 2HG MET 13 1HG MET 13 13.616 -0.189 -6.294 824 1HE MET 13 1HE MET 13 13.141 0.983 -2.812 825 2HE MET 13 2HE MET 13 12.406 0.958 -4.415 826 3HE MET 13 3HE MET 13 14.102 1.402 -4.229 827 H SER 14 H SER 14 14.497 -2.033 -7.989 828 HA SER 14 HA SER 14 16.214 -4.174 -8.282 829 1HB SER 14 2HB SER 14 16.460 -1.270 -8.198 830 2HB SER 14 1HB SER 14 17.898 -2.081 -7.577 831 HG SER 14 HG SER 14 17.309 -1.703 -10.069 832 H GLU 15 H GLU 15 17.458 -5.379 -6.973 833 HA GLU 15 HA GLU 15 16.988 -5.609 -4.268 834 1HB GLU 15 2HB GLU 15 19.544 -6.336 -5.709 835 2HB GLU 15 1HB GLU 15 19.015 -6.975 -4.159 836 1HG GLU 15 2HG GLU 15 18.170 -8.655 -5.347 837 2HG GLU 15 1HG GLU 15 16.875 -7.530 -5.757 838 H GLU 16 H GLU 16 20.105 -4.400 -5.541 839 HA GLU 16 HA GLU 16 21.031 -3.341 -3.163 840 1HB GLU 16 2HB GLU 16 22.330 -3.601 -5.302 841 2HB GLU 16 1HB GLU 16 21.545 -2.141 -5.888 842 1HG GLU 16 2HG GLU 16 23.253 -1.032 -5.010 843 2HG GLU 16 1HG GLU 16 22.540 -1.382 -3.437 844 H MET 17 H MET 17 18.720 -2.046 -5.410 845 HA MET 17 HA MET 17 18.733 0.615 -4.356 846 1HB MET 17 2HB MET 17 17.921 0.769 -6.453 847 2HB MET 17 1HB MET 17 17.313 -0.876 -6.450 848 1HG MET 17 2HG MET 17 15.273 -0.084 -6.289 849 2HG MET 17 1HG MET 17 15.668 0.585 -4.708 850 1HE MET 17 1HE MET 17 16.068 3.600 -4.503 851 2HE MET 17 2HE MET 17 17.262 3.942 -5.755 852 3HE MET 17 3HE MET 17 17.421 2.499 -4.752 853 H GLN 18 H GLN 18 16.929 -2.338 -3.681 854 HA GLN 18 HA GLN 18 14.979 -1.005 -2.043 855 1HB GLN 18 2HB GLN 18 14.806 -3.571 -1.208 856 2HB GLN 18 1HB GLN 18 13.989 -2.946 -2.631 857 1HG GLN 18 2HG GLN 18 16.492 -3.678 -3.554 858 2HG GLN 18 1HG GLN 18 16.058 -4.946 -2.407 859 1HE2 GLN 18 1HE2 GLN 18 13.378 -3.409 -3.730 860 2HE2 GLN 18 2HE2 GLN 18 12.977 -4.584 -4.930 861 H GLN 19 H GLN 19 18.124 -2.405 -1.576 862 HA GLN 19 HA GLN 19 17.965 -2.585 1.274 863 1HB GLN 19 2HB GLN 19 20.089 -2.876 -0.786 864 2HB GLN 19 1HB GLN 19 20.615 -2.452 0.838 865 1HG GLN 19 2HG GLN 19 19.303 -4.938 -0.141 866 2HG GLN 19 1HG GLN 19 20.724 -4.742 0.885 867 1HE2 GLN 19 1HE2 GLN 19 19.867 -3.152 2.868 868 2HE2 GLN 19 2HE2 GLN 19 18.593 -3.907 3.758 869 H ASP 20 H ASP 20 19.117 -0.242 -1.082 870 HA ASP 20 HA ASP 20 20.163 1.591 0.815 871 1HB ASP 20 2HB ASP 20 19.500 1.669 -2.094 872 2HB ASP 20 1HB ASP 20 19.681 3.206 -1.253 873 H SER 21 H SER 21 17.038 0.932 -0.546 874 HA SER 21 HA SER 21 15.722 3.320 0.164 875 1HB SER 21 2HB SER 21 13.883 2.303 -0.685 876 2HB SER 21 1HB SER 21 15.003 1.031 -1.174 877 HG SER 21 HG SER 21 14.004 0.920 1.422 878 H VAL 22 H VAL 22 16.046 0.200 1.848 879 HA VAL 22 HA VAL 22 14.569 0.811 4.126 880 HB VAL 22 HB VAL 22 17.038 -0.923 3.923 881 1HG1 VAL 22 1HG1 VAL 22 16.748 -0.417 6.214 882 2HG1 VAL 22 2HG1 VAL 22 16.038 -2.014 5.971 883 3HG1 VAL 22 3HG1 VAL 22 14.996 -0.598 6.107 884 1HG2 VAL 22 1HG2 VAL 22 15.609 -2.079 2.599 885 2HG2 VAL 22 2HG2 VAL 22 14.177 -1.335 3.308 886 3HG2 VAL 22 3HG2 VAL 22 14.998 -2.645 4.154 887 H GLU 23 H GLU 23 18.067 1.182 3.560 888 HA GLU 23 HA GLU 23 18.738 2.344 6.002 889 1HB GLU 23 2HB GLU 23 19.985 3.192 3.392 890 2HB GLU 23 1HB GLU 23 20.745 3.070 4.973 891 1HG GLU 23 2HG GLU 23 20.949 0.780 4.848 892 2HG GLU 23 1HG GLU 23 19.647 0.623 3.669 893 H CYS 24 H CYS 24 17.348 3.742 3.096 894 HA CYS 24 HA CYS 24 17.545 6.459 3.953 895 1HB CYS 24 2HB CYS 24 16.665 5.056 1.618 896 2HB CYS 24 1HB CYS 24 15.386 6.153 2.123 897 HG CYS 24 HG CYS 24 18.257 7.216 1.580 898 H ALA 25 H ALA 25 15.154 3.904 4.216 899 HA ALA 25 HA ALA 25 13.074 5.542 5.291 900 1HB ALA 25 1HB ALA 25 13.421 2.567 5.658 901 2HB ALA 25 2HB ALA 25 12.743 3.291 4.200 902 3HB ALA 25 3HB ALA 25 11.926 3.497 5.750 903 H THR 26 H THR 26 15.916 4.051 6.390 904 HA THR 26 HA THR 26 15.287 4.038 9.192 905 HB THR 26 HB THR 26 18.023 3.895 7.933 906 HG1 THR 26 1HG THR 26 15.950 2.159 7.691 907 1HG2 THR 26 1HG2 THR 26 16.885 3.177 10.560 908 2HG2 THR 26 2HG2 THR 26 18.465 3.840 10.144 909 3HG2 THR 26 3HG2 THR 26 18.128 2.128 9.883 910 H GLN 27 H GLN 27 17.127 6.045 6.936 911 HA GLN 27 HA GLN 27 18.263 7.847 8.716 912 1HB GLN 27 2HB GLN 27 17.705 7.747 5.868 913 2HB GLN 27 1HB GLN 27 17.515 9.377 6.498 914 1HG GLN 27 2HG GLN 27 19.927 8.082 7.467 915 2HG GLN 27 1HG GLN 27 19.869 8.195 5.708 916 1HE2 GLN 27 1HE2 GLN 27 18.049 10.632 6.239 917 2HE2 GLN 27 2HE2 GLN 27 19.179 11.911 6.505 918 H ALA 28 H ALA 28 15.096 7.895 7.146 919 HA ALA 28 HA ALA 28 14.211 10.303 8.386 920 1HB ALA 28 1HB ALA 28 13.170 9.583 6.342 921 2HB ALA 28 2HB ALA 28 11.956 9.559 7.621 922 3HB ALA 28 3HB ALA 28 12.689 8.052 7.072 923 H LEU 29 H LEU 29 14.002 6.881 9.138 924 HA LEU 29 HA LEU 29 12.139 6.944 11.209 925 1HB LEU 29 2HB LEU 29 14.366 5.138 10.434 926 2HB LEU 29 1HB LEU 29 13.655 4.936 12.025 927 HG LEU 29 HG LEU 29 11.866 5.050 9.637 928 1HD1 LEU 29 1HD1 LEU 29 12.206 2.858 9.034 929 2HD1 LEU 29 2HD1 LEU 29 12.989 2.448 10.559 930 3HD1 LEU 29 3HD1 LEU 29 13.851 3.406 9.355 931 1HD2 LEU 29 1HD2 LEU 29 10.896 3.165 11.288 932 2HD2 LEU 29 2HD2 LEU 29 10.501 4.879 11.421 933 3HD2 LEU 29 3HD2 LEU 29 11.752 4.180 12.450 934 H GLU 30 H GLU 30 15.687 7.083 11.399 935 HA GLU 30 HA GLU 30 15.773 7.529 14.194 936 1HB GLU 30 2HB GLU 30 17.630 7.109 12.089 937 2HB GLU 30 1HB GLU 30 18.094 8.597 12.901 938 1HG GLU 30 2HG GLU 30 17.459 6.202 14.545 939 2HG GLU 30 1HG GLU 30 19.000 6.273 13.694 940 H LYS 31 H LYS 31 15.511 9.612 11.409 941 HA LYS 31 HA LYS 31 16.101 12.039 12.821 942 1HB LYS 31 2HB LYS 31 14.791 11.538 10.143 943 2HB LYS 31 1HB LYS 31 15.191 13.135 10.763 944 1HG LYS 31 2HG LYS 31 17.159 10.925 10.207 945 2HG LYS 31 1HG LYS 31 16.861 12.328 9.179 946 1HD LYS 31 2HD LYS 31 17.486 12.933 11.991 947 2HD LYS 31 1HD LYS 31 18.799 12.204 11.065 948 1HE LYS 31 2HE LYS 31 18.951 13.982 9.618 949 2HE LYS 31 1HE LYS 31 17.271 14.458 9.858 950 1HZ LYS 31 1HZ LYS 31 18.971 15.970 10.860 951 2HZ LYS 31 2HZ LYS 31 19.345 14.739 11.957 952 3HZ LYS 31 3HZ LYS 31 17.794 15.414 11.940 953 H TYR 32 H TYR 32 13.318 10.071 12.267 954 HA TYR 32 HA TYR 32 11.769 11.429 14.197 955 1HB TYR 32 2HB TYR 32 10.061 11.720 11.950 956 2HB TYR 32 1HB TYR 32 10.698 12.980 13.001 957 HD1 TYR 32 1HD TYR 32 11.563 10.970 9.978 958 HD2 TYR 32 2HD TYR 32 12.145 14.587 12.142 959 HE1 TYR 32 1HE TYR 32 12.850 11.887 8.094 960 HE2 TYR 32 2HE TYR 32 13.432 15.512 10.264 961 HH TYR 32 HH TYR 32 13.897 15.232 8.036 962 H ASN 33 H ASN 33 10.263 10.074 14.986 963 HA ASN 33 HA ASN 33 9.912 7.522 13.618 964 1HB ASN 33 2HB ASN 33 10.433 7.959 16.191 965 2HB ASN 33 1HB ASN 33 8.677 8.064 16.279 966 1HD2 ASN 33 1HD2 ASN 33 11.401 6.009 15.631 967 2HD2 ASN 33 2HD2 ASN 33 10.543 4.511 15.693 968 H ILE 34 H ILE 34 8.624 10.015 12.738 969 HA ILE 34 HA ILE 34 5.790 9.486 13.238 970 HB ILE 34 HB ILE 34 7.077 11.744 11.704 971 1HG1 ILE 34 2HG1 ILE 34 7.672 11.905 14.033 972 2HG1 ILE 34 1HG1 ILE 34 6.430 13.106 13.691 973 1HG2 ILE 34 1HG2 ILE 34 5.048 12.372 11.057 974 2HG2 ILE 34 2HG2 ILE 34 4.430 12.255 12.705 975 3HG2 ILE 34 3HG2 ILE 34 4.442 10.831 11.662 976 1HD1 ILE 34 1HD1 ILE 34 5.483 10.487 14.638 977 2HD1 ILE 34 2HD1 ILE 34 4.918 12.114 15.021 978 3HD1 ILE 34 3HD1 ILE 34 6.368 11.476 15.799 979 H GLU 35 H GLU 35 5.090 7.839 11.994 980 HA GLU 35 HA GLU 35 5.908 6.709 9.757 981 1HB GLU 35 2HB GLU 35 3.085 7.502 10.439 982 2HB GLU 35 1HB GLU 35 3.457 6.518 9.029 983 1HG GLU 35 2HG GLU 35 2.774 5.311 11.158 984 2HG GLU 35 1HG GLU 35 4.216 4.736 10.324 985 H LYS 36 H LYS 36 3.510 9.322 9.369 986 HA LYS 36 HA LYS 36 3.838 9.761 6.682 987 1HB LYS 36 2HB LYS 36 3.507 12.233 8.241 988 2HB LYS 36 1HB LYS 36 2.485 11.547 6.985 989 1HG LYS 36 2HG LYS 36 1.175 10.449 8.458 990 2HG LYS 36 1HG LYS 36 2.506 10.127 9.570 991 1HD LYS 36 2HD LYS 36 2.177 12.043 10.726 992 2HD LYS 36 1HD LYS 36 1.726 12.956 9.284 993 1HE LYS 36 2HE LYS 36 -0.395 12.812 9.930 994 2HE LYS 36 1HE LYS 36 -0.310 11.074 9.648 995 1HZ LYS 36 1HZ LYS 36 0.432 12.385 12.206 996 2HZ LYS 36 2HZ LYS 36 0.316 10.724 11.913 997 3HZ LYS 36 3HZ LYS 36 -1.077 11.683 11.899 998 H ASP 37 H ASP 37 5.531 11.491 9.298 999 HA ASP 37 HA ASP 37 7.143 13.137 7.807 1000 1HB ASP 37 2HB ASP 37 6.931 12.830 10.393 1001 2HB ASP 37 1HB ASP 37 8.279 11.714 10.196 1002 H ILE 38 H ILE 38 8.164 9.957 9.060 1003 HA ILE 38 HA ILE 38 10.564 9.670 7.823 1004 HB ILE 38 HB ILE 38 8.580 7.404 7.929 1005 1HG1 ILE 38 2HG1 ILE 38 10.356 8.311 10.197 1006 2HG1 ILE 38 1HG1 ILE 38 8.666 8.784 10.059 1007 1HG2 ILE 38 1HG2 ILE 38 11.312 6.891 8.753 1008 2HG2 ILE 38 2HG2 ILE 38 11.219 7.519 7.108 1009 3HG2 ILE 38 3HG2 ILE 38 10.321 6.067 7.549 1010 1HD1 ILE 38 1HD1 ILE 38 8.318 6.980 11.332 1011 2HD1 ILE 38 2HD1 ILE 38 9.855 6.240 10.887 1012 3HD1 ILE 38 3HD1 ILE 38 8.464 6.101 9.811 1013 H ALA 39 H ALA 39 7.416 8.779 6.407 1014 HA ALA 39 HA ALA 39 8.314 7.858 3.949 1015 1HB ALA 39 1HB ALA 39 5.752 9.274 4.660 1016 2HB ALA 39 2HB ALA 39 6.034 7.534 4.581 1017 3HB ALA 39 3HB ALA 39 6.052 8.499 3.104 1018 H ALA 40 H ALA 40 7.406 11.163 4.887 1019 HA ALA 40 HA ALA 40 7.828 12.377 2.399 1020 1HB ALA 40 1HB ALA 40 8.196 13.624 5.120 1021 2HB ALA 40 2HB ALA 40 6.649 13.435 4.298 1022 3HB ALA 40 3HB ALA 40 7.894 14.473 3.604 1023 H HIS 41 H HIS 41 9.990 12.079 5.194 1024 HA HIS 41 HA HIS 41 12.220 13.373 4.198 1025 1HB HIS 41 2HB HIS 41 12.329 12.782 6.456 1026 2HB HIS 41 1HB HIS 41 11.848 11.118 6.145 1027 HD1 HIS 41 1HD HIS 41 14.631 12.782 7.327 1028 HD2 HIS 41 2HD HIS 41 14.134 9.957 4.324 1029 HE1 HIS 41 1HE HIS 41 16.898 11.748 6.998 1030 HE2 HIS 41 2HE HIS 41 16.545 9.961 5.258 1031 H ILE 42 H ILE 42 11.413 9.919 3.955 1032 HA ILE 42 HA ILE 42 13.652 9.126 2.485 1033 HB ILE 42 HB ILE 42 10.877 7.935 2.399 1034 1HG1 ILE 42 2HG1 ILE 42 13.126 6.839 4.036 1035 2HG1 ILE 42 1HG1 ILE 42 12.229 8.225 4.649 1036 1HG2 ILE 42 1HG2 ILE 42 13.529 6.652 1.767 1037 2HG2 ILE 42 2HG2 ILE 42 12.375 7.223 0.562 1038 3HG2 ILE 42 3HG2 ILE 42 11.934 5.908 1.651 1039 1HD1 ILE 42 1HD1 ILE 42 10.244 7.017 4.804 1040 2HD1 ILE 42 2HD1 ILE 42 11.483 5.900 5.374 1041 3HD1 ILE 42 3HD1 ILE 42 10.833 5.738 3.743 1042 H LYS 43 H LYS 43 10.361 9.354 1.119 1043 HA LYS 43 HA LYS 43 10.883 9.208 -1.512 1044 1HB LYS 43 2HB LYS 43 8.626 9.504 -0.700 1045 2HB LYS 43 1HB LYS 43 8.986 11.145 -0.181 1046 1HG LYS 43 2HG LYS 43 9.599 10.873 -2.960 1047 2HG LYS 43 1HG LYS 43 7.959 10.299 -2.653 1048 1HD LYS 43 2HD LYS 43 7.341 12.376 -1.654 1049 2HD LYS 43 1HD LYS 43 9.013 12.938 -1.651 1050 1HE LYS 43 2HE LYS 43 7.103 12.674 -3.933 1051 2HE LYS 43 1HE LYS 43 8.118 14.041 -3.478 1052 1HZ LYS 43 1HZ LYS 43 9.939 12.143 -4.020 1053 2HZ LYS 43 2HZ LYS 43 9.419 13.312 -5.126 1054 3HZ LYS 43 3HZ LYS 43 8.732 11.767 -5.145 1055 H LYS 44 H LYS 44 11.565 11.967 0.536 1056 HA LYS 44 HA LYS 44 12.189 13.789 -1.545 1057 1HB LYS 44 2HB LYS 44 11.720 14.156 1.024 1058 2HB LYS 44 1HB LYS 44 13.466 13.995 1.146 1059 1HG LYS 44 2HG LYS 44 13.594 15.797 -0.647 1060 2HG LYS 44 1HG LYS 44 11.882 16.075 -0.320 1061 1HD LYS 44 2HD LYS 44 12.306 16.723 1.904 1062 2HD LYS 44 1HD LYS 44 13.945 16.071 1.865 1063 1HE LYS 44 2HE LYS 44 14.311 18.346 1.659 1064 2HE LYS 44 1HE LYS 44 14.324 17.807 -0.020 1065 1HZ LYS 44 1HZ LYS 44 11.795 18.707 1.168 1066 2HZ LYS 44 2HZ LYS 44 12.309 18.775 -0.441 1067 3HZ LYS 44 3HZ LYS 44 12.930 19.866 0.691 1068 H GLU 45 H GLU 45 14.342 12.097 0.726 1069 HA GLU 45 HA GLU 45 16.720 12.744 -0.620 1070 1HB GLU 45 2HB GLU 45 16.011 10.581 1.350 1071 2HB GLU 45 1HB GLU 45 17.630 10.722 0.679 1072 1HG GLU 45 2HG GLU 45 16.173 12.595 2.492 1073 2HG GLU 45 1HG GLU 45 17.764 11.863 2.689 1074 H PHE 46 H PHE 46 14.338 10.313 -1.200 1075 HA PHE 46 HA PHE 46 16.011 8.606 -2.784 1076 1HB PHE 46 2HB PHE 46 13.321 8.561 -1.761 1077 2HB PHE 46 1HB PHE 46 13.307 8.187 -3.481 1078 HD1 PHE 46 1HD PHE 46 14.573 7.148 -0.191 1079 HD2 PHE 46 2HD PHE 46 14.202 6.144 -4.308 1080 HE1 PHE 46 1HE PHE 46 15.268 4.843 0.313 1081 HE2 PHE 46 2HE PHE 46 14.897 3.835 -3.813 1082 HZ PHE 46 HZ PHE 46 15.431 3.182 -1.499 1083 H ASP 47 H ASP 47 13.713 11.204 -3.394 1084 HA ASP 47 HA ASP 47 13.649 10.954 -6.209 1085 1HB ASP 47 2HB ASP 47 12.425 12.939 -6.214 1086 2HB ASP 47 1HB ASP 47 12.092 12.292 -4.609 1087 H LYS 48 H LYS 48 15.755 12.678 -3.986 1088 HA LYS 48 HA LYS 48 17.185 13.964 -6.163 1089 1HB LYS 48 2HB LYS 48 17.190 14.164 -3.196 1090 2HB LYS 48 1HB LYS 48 18.674 14.596 -4.036 1091 1HG LYS 48 2HG LYS 48 15.992 15.774 -4.715 1092 2HG LYS 48 1HG LYS 48 17.109 16.491 -3.551 1093 1HD LYS 48 2HD LYS 48 17.671 15.958 -6.468 1094 2HD LYS 48 1HD LYS 48 17.358 17.535 -5.738 1095 1HE LYS 48 2HE LYS 48 19.604 15.785 -4.793 1096 2HE LYS 48 1HE LYS 48 19.799 16.860 -6.177 1097 1HZ LYS 48 1HZ LYS 48 19.291 18.736 -4.799 1098 2HZ LYS 48 2HZ LYS 48 20.524 17.848 -4.055 1099 3HZ LYS 48 3HZ LYS 48 18.939 17.743 -3.475 1100 H LYS 49 H LYS 49 17.586 11.285 -3.946 1101 HA LYS 49 HA LYS 49 20.354 10.856 -4.559 1102 1HB LYS 49 2HB LYS 49 18.949 10.123 -2.466 1103 2HB LYS 49 1HB LYS 49 18.581 8.713 -3.450 1104 1HG LYS 49 2HG LYS 49 21.427 9.501 -3.202 1105 2HG LYS 49 1HG LYS 49 20.642 8.790 -1.790 1106 1HD LYS 49 2HD LYS 49 20.893 6.768 -2.674 1107 2HD LYS 49 1HD LYS 49 19.905 7.253 -4.055 1108 1HE LYS 49 2HE LYS 49 21.867 6.620 -5.085 1109 2HE LYS 49 1HE LYS 49 22.107 8.356 -4.895 1110 1HZ LYS 49 1HZ LYS 49 23.029 7.065 -2.583 1111 2HZ LYS 49 2HZ LYS 49 23.918 7.949 -3.718 1112 3HZ LYS 49 3HZ LYS 49 23.705 6.284 -3.924 1113 H TYR 50 H TYR 50 17.328 9.894 -5.923 1114 HA TYR 50 HA TYR 50 18.774 8.283 -7.912 1115 1HB TYR 50 2HB TYR 50 16.002 7.619 -6.912 1116 2HB TYR 50 1HB TYR 50 17.023 6.649 -7.970 1117 HD1 TYR 50 1HD TYR 50 16.331 7.627 -4.523 1118 HD2 TYR 50 2HD TYR 50 18.928 5.404 -7.056 1119 HE1 TYR 50 1HE TYR 50 17.216 6.437 -2.562 1120 HE2 TYR 50 2HE TYR 50 19.820 4.207 -5.102 1121 HH TYR 50 HH TYR 50 19.266 5.211 -1.920 1122 H ASN 51 H ASN 51 15.436 9.415 -7.410 1123 HA ASN 51 HA ASN 51 15.129 11.507 -9.011 1124 1HB ASN 51 2HB ASN 51 16.126 9.464 -10.675 1125 2HB ASN 51 1HB ASN 51 14.423 9.631 -11.089 1126 1HD2 ASN 51 1HD2 ASN 51 14.869 10.500 -13.096 1127 2HD2 ASN 51 2HD2 ASN 51 15.479 12.104 -13.299 1128 HA PRO 52 HA PRO 52 11.123 10.321 -7.396 1129 1HB PRO 52 2HB PRO 52 9.811 12.567 -8.301 1130 2HB PRO 52 1HB PRO 52 10.723 12.481 -6.791 1131 1HG PRO 52 2HG PRO 52 11.561 13.561 -9.451 1132 2HG PRO 52 1HG PRO 52 11.862 14.213 -7.829 1133 1HD PRO 52 2HD PRO 52 13.758 12.876 -9.176 1134 2HD PRO 52 1HD PRO 52 13.589 12.721 -7.414 1135 H THR 53 H THR 53 8.676 9.813 -10.018 1136 HA THR 53 HA THR 53 9.104 10.999 -7.375 1137 HB THR 53 HB THR 53 6.685 10.537 -9.087 1138 HG1 THR 53 1HG THR 53 7.044 12.804 -7.541 1139 1HG2 THR 53 1HG2 THR 53 6.703 10.348 -6.192 1140 2HG2 THR 53 2HG2 THR 53 5.419 9.990 -7.347 1141 3HG2 THR 53 3HG2 THR 53 5.669 11.645 -6.790 1142 H TRP 54 H TRP 54 9.070 9.817 -5.566 1143 HA TRP 54 HA TRP 54 8.593 6.940 -5.860 1144 1HB TRP 54 2HB TRP 54 10.080 8.465 -3.716 1145 2HB TRP 54 1HB TRP 54 9.899 6.714 -3.775 1146 HD1 TRP 54 HD TRP 54 11.536 9.577 -5.792 1147 HE1 TRP 54 1HE TRP 54 13.549 8.601 -7.063 1148 HE3 TRP 54 3HE TRP 54 10.946 4.647 -4.586 1149 HZ2 TRP 54 2HZ TRP 54 14.730 6.077 -7.501 1150 HZ3 TRP 54 3HZ TRP 54 12.560 3.015 -5.471 1151 HH2 TRP 54 HH TRP 54 14.410 3.718 -6.900 1152 H HIS 55 H HIS 55 6.468 6.571 -5.483 1153 HA HIS 55 HA HIS 55 5.000 7.922 -3.420 1154 1HB HIS 55 2HB HIS 55 4.316 5.403 -4.966 1155 2HB HIS 55 1HB HIS 55 3.199 6.322 -3.960 1156 HD1 HIS 55 1HD HIS 55 1.866 6.369 -6.346 1157 HD2 HIS 55 2HD HIS 55 5.292 8.700 -6.040 1158 HE1 HIS 55 1HE HIS 55 1.713 8.039 -8.221 1159 HE2 HIS 55 2HE HIS 55 3.767 9.477 -7.980 1160 H CYS 56 H CYS 56 6.023 7.592 -1.481 1161 HA CYS 56 HA CYS 56 6.360 4.801 -0.624 1162 1HB CYS 56 2HB CYS 56 8.258 5.373 0.471 1163 2HB CYS 56 1HB CYS 56 8.262 6.704 -0.681 1164 HG CYS 56 HG CYS 56 7.452 6.965 2.305 1165 H ILE 57 H ILE 57 5.870 4.217 1.508 1166 HA ILE 57 HA ILE 57 4.285 6.023 3.134 1167 HB ILE 57 HB ILE 57 3.107 3.500 1.982 1168 1HG1 ILE 57 2HG1 ILE 57 2.349 6.425 1.849 1169 2HG1 ILE 57 1HG1 ILE 57 2.886 5.407 0.517 1170 1HG2 ILE 57 1HG2 ILE 57 1.911 5.292 4.093 1171 2HG2 ILE 57 2HG2 ILE 57 2.698 3.751 4.434 1172 3HG2 ILE 57 3HG2 ILE 57 1.234 3.794 3.452 1173 1HD1 ILE 57 1HD1 ILE 57 0.844 4.055 0.795 1174 2HD1 ILE 57 2HD1 ILE 57 0.528 5.737 0.368 1175 3HD1 ILE 57 3HD1 ILE 57 0.303 5.191 2.030 1176 H VAL 58 H VAL 58 5.274 5.821 5.021 1177 HA VAL 58 HA VAL 58 6.176 3.158 5.876 1178 HB VAL 58 HB VAL 58 8.041 4.568 5.886 1179 1HG1 VAL 58 1HG1 VAL 58 6.472 6.637 5.734 1180 2HG1 VAL 58 2HG1 VAL 58 8.100 6.811 6.386 1181 3HG1 VAL 58 3HG1 VAL 58 6.718 6.715 7.478 1182 1HG2 VAL 58 1HG2 VAL 58 6.957 4.679 8.702 1183 2HG2 VAL 58 2HG2 VAL 58 8.647 4.849 8.232 1184 3HG2 VAL 58 3HG2 VAL 58 7.813 3.316 7.980 1185 H GLY 59 H GLY 59 5.316 2.201 7.604 1186 1HA GLY 59 2HA GLY 59 3.878 3.774 9.592 1187 2HA GLY 59 1HA GLY 59 2.942 2.582 8.700 1188 H ARG 60 H ARG 60 2.549 1.002 10.136 1189 HA ARG 60 HA ARG 60 4.741 -0.599 11.036 1190 1HB ARG 60 2HB ARG 60 3.652 -0.359 13.466 1191 2HB ARG 60 1HB ARG 60 5.007 0.618 12.918 1192 1HG ARG 60 2HG ARG 60 3.033 2.181 12.078 1193 2HG ARG 60 1HG ARG 60 2.191 1.378 13.405 1194 1HD ARG 60 2HD ARG 60 4.854 2.774 13.647 1195 2HD ARG 60 1HD ARG 60 3.301 3.491 14.076 1196 HE ARG 60 HE ARG 60 3.343 1.217 15.532 1197 1HH1 ARG 60 1HH1 ARG 60 5.608 3.833 15.140 1198 2HH1 ARG 60 2HH1 ARG 60 6.258 3.681 16.739 1199 1HH2 ARG 60 1HH2 ARG 60 4.194 1.006 17.637 1200 2HH2 ARG 60 2HH2 ARG 60 5.455 2.073 18.157 1201 H ASN 61 H ASN 61 1.702 -0.268 9.938 1202 HA ASN 61 HA ASN 61 1.044 -2.951 9.986 1203 1HB ASN 61 2HB ASN 61 0.761 -2.040 12.531 1204 2HB ASN 61 1HB ASN 61 -0.860 -1.763 11.901 1205 1HD2 ASN 61 1HD2 ASN 61 1.541 -4.131 12.701 1206 2HD2 ASN 61 2HD2 ASN 61 0.506 -5.511 12.613 1207 H PHE 62 H PHE 62 0.882 -0.609 8.301 1208 HA PHE 62 HA PHE 62 -1.967 -0.120 7.982 1209 1HB PHE 62 2HB PHE 62 -1.288 1.480 6.254 1210 2HB PHE 62 1HB PHE 62 -0.414 1.766 7.755 1211 HD1 PHE 62 1HD PHE 62 -0.157 0.589 4.301 1212 HD2 PHE 62 2HD PHE 62 1.956 1.382 7.909 1213 HE1 PHE 62 1HE PHE 62 1.974 0.443 3.080 1214 HE2 PHE 62 2HE PHE 62 4.091 1.238 6.696 1215 HZ PHE 62 HZ PHE 62 4.102 0.768 4.278 1216 H GLY 63 H GLY 63 -2.686 -0.072 5.562 1217 1HA GLY 63 2HA GLY 63 -1.796 -2.597 4.310 1218 2HA GLY 63 1HA GLY 63 -3.487 -2.122 4.384 1219 H SER 64 H SER 64 -0.337 -1.073 3.152 1220 HA SER 64 HA SER 64 -1.470 0.783 1.297 1221 1HB SER 64 2HB SER 64 0.875 0.835 0.363 1222 2HB SER 64 1HB SER 64 0.754 1.219 2.080 1223 HG SER 64 HG SER 64 1.119 -1.255 2.200 1224 H TYR 65 H TYR 65 -2.787 -0.034 -0.217 1225 HA TYR 65 HA TYR 65 -1.841 -2.345 -1.773 1226 1HB TYR 65 2HB TYR 65 -4.122 -2.363 -0.529 1227 2HB TYR 65 1HB TYR 65 -4.666 -1.321 -1.839 1228 HD1 TYR 65 1HD TYR 65 -5.364 -2.247 -3.870 1229 HD2 TYR 65 2HD TYR 65 -3.111 -4.630 -1.160 1230 HE1 TYR 65 1HE TYR 65 -5.777 -4.223 -5.274 1231 HE2 TYR 65 2HE TYR 65 -3.519 -6.613 -2.555 1232 HH TYR 65 HH TYR 65 -4.264 -6.668 -5.500 1233 H VAL 66 H VAL 66 -0.454 -0.569 -2.767 1234 HA VAL 66 HA VAL 66 -1.916 0.967 -4.795 1235 HB VAL 66 HB VAL 66 0.108 2.248 -5.114 1236 1HG1 VAL 66 1HG1 VAL 66 0.405 3.148 -2.785 1237 2HG1 VAL 66 2HG1 VAL 66 -0.650 1.849 -2.228 1238 3HG1 VAL 66 3HG1 VAL 66 -1.264 3.062 -3.351 1239 1HG2 VAL 66 1HG2 VAL 66 1.534 0.825 -2.924 1240 2HG2 VAL 66 2HG2 VAL 66 2.179 1.715 -4.304 1241 3HG2 VAL 66 3HG2 VAL 66 1.516 0.097 -4.531 1242 H THR 67 H THR 67 -0.848 1.119 -6.965 1243 HA THR 67 HA THR 67 0.203 -1.519 -7.756 1244 HB THR 67 HB THR 67 -1.219 0.351 -9.632 1245 HG1 THR 67 1HG THR 67 -3.110 -0.930 -9.124 1246 1HG2 THR 67 1HG2 THR 67 0.001 -2.093 -10.023 1247 2HG2 THR 67 2HG2 THR 67 -1.156 -1.306 -11.097 1248 3HG2 THR 67 3HG2 THR 67 -1.715 -2.481 -9.907 1249 H HIS 68 H HIS 68 2.383 -1.100 -7.682 1250 HA HIS 68 HA HIS 68 3.689 1.221 -8.445 1251 1HB HIS 68 2HB HIS 68 5.691 -0.029 -8.427 1252 2HB HIS 68 1HB HIS 68 4.642 -0.839 -7.266 1253 HD1 HIS 68 1HD HIS 68 3.015 -2.261 -9.729 1254 HD2 HIS 68 2HD HIS 68 7.075 -2.442 -8.873 1255 HE1 HIS 68 1HE HIS 68 3.837 -4.369 -10.822 1256 HE2 HIS 68 2HE HIS 68 6.323 -4.382 -10.410 1257 H GLU 69 H GLU 69 5.366 1.174 -10.355 1258 HA GLU 69 HA GLU 69 4.573 -0.077 -12.778 1259 1HB GLU 69 2HB GLU 69 4.215 2.519 -13.655 1260 2HB GLU 69 1HB GLU 69 2.945 1.329 -13.405 1261 1HG GLU 69 2HG GLU 69 3.044 2.223 -10.938 1262 2HG GLU 69 1HG GLU 69 3.740 3.642 -11.718 1263 H THR 70 H THR 70 6.853 -0.529 -12.527 1264 HA THR 70 HA THR 70 8.531 0.743 -14.225 1265 HB THR 70 HB THR 70 8.565 2.807 -13.151 1266 HG1 THR 70 1HG THR 70 10.624 2.498 -11.681 1267 1HG2 THR 70 1HG2 THR 70 8.251 1.257 -10.659 1268 2HG2 THR 70 2HG2 THR 70 7.502 2.773 -11.162 1269 3HG2 THR 70 3HG2 THR 70 9.161 2.764 -10.561 1270 H LYS 71 H LYS 71 9.895 0.580 -11.052 1271 HA LYS 71 HA LYS 71 10.420 -2.176 -10.881 1272 1HB LYS 71 2HB LYS 71 12.221 -0.618 -12.597 1273 2HB LYS 71 1HB LYS 71 13.050 -1.529 -11.343 1274 1HG LYS 71 2HG LYS 71 11.088 -2.716 -13.292 1275 2HG LYS 71 1HG LYS 71 12.842 -2.738 -13.491 1276 1HD LYS 71 2HD LYS 71 12.758 -4.694 -12.402 1277 2HD LYS 71 1HD LYS 71 12.525 -3.716 -10.951 1278 1HE LYS 71 2HE LYS 71 10.804 -5.330 -10.922 1279 2HE LYS 71 1HE LYS 71 10.044 -3.826 -11.441 1280 1HZ LYS 71 1HZ LYS 71 9.279 -5.600 -12.823 1281 2HZ LYS 71 2HZ LYS 71 10.858 -6.094 -13.173 1282 3HZ LYS 71 3HZ LYS 71 10.289 -4.613 -13.755 1283 H HIS 72 H HIS 72 9.979 0.526 -9.475 1284 HA HIS 72 HA HIS 72 11.936 0.047 -7.331 1285 1HB HIS 72 2HB HIS 72 10.845 2.737 -8.176 1286 2HB HIS 72 1HB HIS 72 11.984 2.441 -6.867 1287 HD1 HIS 72 1HD HIS 72 14.355 1.361 -7.701 1288 HD2 HIS 72 2HD HIS 72 12.014 3.251 -10.569 1289 HE1 HIS 72 1HE HIS 72 15.903 1.841 -9.624 1290 HE2 HIS 72 2HE HIS 72 14.465 2.975 -11.354 1291 H PHE 73 H PHE 73 10.050 -1.382 -6.694 1292 HA PHE 73 HA PHE 73 8.218 0.195 -5.017 1293 1HB PHE 73 2HB PHE 73 6.765 -0.570 -6.687 1294 2HB PHE 73 1HB PHE 73 7.581 -2.125 -6.817 1295 HD1 PHE 73 1HD PHE 73 5.946 -0.165 -4.091 1296 HD2 PHE 73 2HD PHE 73 6.312 -3.894 -6.108 1297 HE1 PHE 73 1HE PHE 73 4.282 -1.147 -2.567 1298 HE2 PHE 73 2HE PHE 73 4.647 -4.884 -4.590 1299 HZ PHE 73 HZ PHE 73 3.630 -3.509 -2.817 1300 H ILE 74 H ILE 74 9.959 -0.201 -3.444 1301 HA ILE 74 HA ILE 74 10.207 -2.940 -2.489 1302 HB ILE 74 HB ILE 74 12.173 -1.338 -2.655 1303 1HG1 ILE 74 2HG1 ILE 74 11.433 -2.949 -0.234 1304 2HG1 ILE 74 1HG1 ILE 74 12.589 -3.323 -1.503 1305 1HG2 ILE 74 1HG2 ILE 74 11.560 -0.250 0.007 1306 2HG2 ILE 74 2HG2 ILE 74 10.565 0.382 -1.305 1307 3HG2 ILE 74 3HG2 ILE 74 12.322 0.516 -1.387 1308 1HD1 ILE 74 1HD1 ILE 74 13.468 -0.992 -0.117 1309 2HD1 ILE 74 2HD1 ILE 74 14.238 -2.575 -0.239 1310 3HD1 ILE 74 3HD1 ILE 74 13.081 -2.254 1.053 1311 H TYR 75 H TYR 75 9.152 -3.745 -0.794 1312 HA TYR 75 HA TYR 75 7.823 -1.876 1.053 1313 1HB TYR 75 2HB TYR 75 6.255 -2.975 -0.621 1314 2HB TYR 75 1HB TYR 75 6.620 -4.503 0.174 1315 HD1 TYR 75 1HD TYR 75 4.908 -5.204 1.539 1316 HD2 TYR 75 2HD TYR 75 5.798 -1.048 1.355 1317 HE1 TYR 75 1HE TYR 75 3.153 -4.760 3.200 1318 HE2 TYR 75 2HE TYR 75 4.045 -0.591 3.016 1319 HH TYR 75 HH TYR 75 2.865 -1.854 4.846 1320 H PHE 76 H PHE 76 9.518 -2.154 2.538 1321 HA PHE 76 HA PHE 76 9.771 -4.858 3.670 1322 1HB PHE 76 2HB PHE 76 11.901 -3.974 4.681 1323 2HB PHE 76 1HB PHE 76 11.899 -4.071 2.923 1324 HD1 PHE 76 1HD PHE 76 11.201 -1.887 1.679 1325 HD2 PHE 76 2HD PHE 76 12.585 -2.027 5.699 1326 HE1 PHE 76 1HE PHE 76 11.820 0.490 1.543 1327 HE2 PHE 76 2HE PHE 76 13.207 0.350 5.573 1328 HZ PHE 76 HZ PHE 76 12.824 1.611 3.493 1329 H TYR 77 H TYR 77 10.173 -4.941 6.033 1330 HA TYR 77 HA TYR 77 8.646 -2.860 7.453 1331 1HB TYR 77 2HB TYR 77 7.314 -4.906 7.253 1332 2HB TYR 77 1HB TYR 77 8.620 -5.842 7.970 1333 HD1 TYR 77 1HD TYR 77 9.145 -5.611 10.364 1334 HD2 TYR 77 2HD TYR 77 5.847 -3.575 8.608 1335 HE1 TYR 77 1HE TYR 77 8.214 -5.200 12.602 1336 HE2 TYR 77 2HE TYR 77 4.909 -3.155 10.842 1337 HH TYR 77 HH TYR 77 5.076 -4.233 13.141 1338 H LEU 78 H LEU 78 9.941 -1.782 8.769 1339 HA LEU 78 HA LEU 78 12.492 -2.722 9.583 1340 1HB LEU 78 2HB LEU 78 10.804 -0.362 10.370 1341 2HB LEU 78 1HB LEU 78 12.349 -0.676 11.128 1342 HG LEU 78 HG LEU 78 12.115 0.989 9.094 1343 1HD1 LEU 78 1HD1 LEU 78 14.267 1.047 9.590 1344 2HD1 LEU 78 2HD1 LEU 78 14.511 -0.295 8.472 1345 3HD1 LEU 78 3HD1 LEU 78 14.231 -0.612 10.185 1346 1HD2 LEU 78 1HD2 LEU 78 13.083 -0.530 7.103 1347 2HD2 LEU 78 2HD2 LEU 78 11.376 -0.115 7.267 1348 3HD2 LEU 78 3HD2 LEU 78 11.962 -1.678 7.837 1349 H GLY 79 H GLY 79 13.172 -2.756 11.921 1350 1HA GLY 79 2HA GLY 79 12.321 -4.811 13.355 1351 2HA GLY 79 1HA GLY 79 12.820 -3.332 14.162 1352 H GLN 80 H GLN 80 10.616 -1.725 13.280 1353 HA GLN 80 HA GLN 80 8.222 -3.046 14.250 1354 1HB GLN 80 2HB GLN 80 9.707 -1.976 16.183 1355 2HB GLN 80 1HB GLN 80 8.895 -0.507 15.658 1356 1HG GLN 80 2HG GLN 80 6.939 -2.539 15.908 1357 2HG GLN 80 1HG GLN 80 7.936 -2.558 17.362 1358 1HE2 GLN 80 1HE2 GLN 80 7.342 -1.235 18.916 1359 2HE2 GLN 80 2HE2 GLN 80 6.393 0.197 18.731 1360 H VAL 81 H VAL 81 9.114 -1.803 11.774 1361 HA VAL 81 HA VAL 81 6.877 0.039 11.433 1362 HB VAL 81 HB VAL 81 9.745 0.745 10.821 1363 1HG1 VAL 81 1HG1 VAL 81 8.634 1.332 8.824 1364 2HG1 VAL 81 2HG1 VAL 81 8.749 2.821 9.761 1365 3HG1 VAL 81 3HG1 VAL 81 7.225 1.938 9.695 1366 1HG2 VAL 81 1HG2 VAL 81 8.241 2.870 11.938 1367 2HG2 VAL 81 2HG2 VAL 81 9.573 1.969 12.663 1368 3HG2 VAL 81 3HG2 VAL 81 7.912 1.421 12.887 1369 H ALA 82 H ALA 82 6.601 0.579 9.044 1370 HA ALA 82 HA ALA 82 7.556 -1.572 7.293 1371 1HB ALA 82 1HB ALA 82 5.541 -2.463 6.929 1372 2HB ALA 82 2HB ALA 82 4.786 -0.880 6.754 1373 3HB ALA 82 3HB ALA 82 5.005 -1.580 8.357 1374 H ILE 83 H ILE 83 8.667 -0.489 5.794 1375 HA ILE 83 HA ILE 83 7.660 2.108 4.888 1376 HB ILE 83 HB ILE 83 10.281 1.108 3.932 1377 1HG1 ILE 83 2HG1 ILE 83 10.187 0.443 6.343 1378 2HG1 ILE 83 1HG1 ILE 83 11.427 1.642 5.988 1379 1HG2 ILE 83 1HG2 ILE 83 9.450 3.288 3.269 1380 2HG2 ILE 83 2HG2 ILE 83 10.886 3.461 4.277 1381 3HG2 ILE 83 3HG2 ILE 83 9.287 3.762 4.959 1382 1HD1 ILE 83 1HD1 ILE 83 8.742 2.160 7.243 1383 2HD1 ILE 83 2HD1 ILE 83 9.927 3.399 6.829 1384 3HD1 ILE 83 3HD1 ILE 83 10.310 2.185 8.049 1385 H LEU 84 H LEU 84 6.961 2.481 2.899 1386 HA LEU 84 HA LEU 84 7.172 0.319 0.909 1387 1HB LEU 84 2HB LEU 84 4.917 0.292 1.251 1388 2HB LEU 84 1HB LEU 84 4.872 1.952 1.812 1389 HG LEU 84 HG LEU 84 5.469 2.236 -0.865 1390 1HD1 LEU 84 1HD1 LEU 84 5.062 0.140 -1.676 1391 2HD1 LEU 84 2HD1 LEU 84 3.442 0.831 -1.780 1392 3HD1 LEU 84 3HD1 LEU 84 3.865 -0.231 -0.435 1393 1HD2 LEU 84 1HD2 LEU 84 3.209 2.669 0.924 1394 2HD2 LEU 84 2HD2 LEU 84 2.734 2.459 -0.761 1395 3HD2 LEU 84 3HD2 LEU 84 3.887 3.718 -0.322 1396 H LEU 85 H LEU 85 8.012 0.862 -1.033 1397 HA LEU 85 HA LEU 85 8.192 3.703 -1.736 1398 1HB LEU 85 2HB LEU 85 10.394 1.942 -1.046 1399 2HB LEU 85 1HB LEU 85 10.578 2.622 -2.653 1400 HG LEU 85 HG LEU 85 10.319 4.888 -1.701 1401 1HD1 LEU 85 1HD1 LEU 85 9.832 5.312 0.447 1402 2HD1 LEU 85 2HD1 LEU 85 10.742 3.923 1.041 1403 3HD1 LEU 85 3HD1 LEU 85 9.122 3.699 0.380 1404 1HD2 LEU 85 1HD2 LEU 85 12.514 5.071 -1.015 1405 2HD2 LEU 85 2HD2 LEU 85 12.541 3.547 -1.900 1406 3HD2 LEU 85 3HD2 LEU 85 12.479 3.542 -0.137 1407 H PHE 86 H PHE 86 6.883 3.690 -3.438 1408 HA PHE 86 HA PHE 86 7.717 2.088 -5.748 1409 1HB PHE 86 2HB PHE 86 5.587 1.238 -6.220 1410 2HB PHE 86 1HB PHE 86 5.729 1.045 -4.476 1411 HD1 PHE 86 1HD PHE 86 4.567 2.650 -2.969 1412 HD2 PHE 86 2HD PHE 86 3.916 2.596 -7.174 1413 HE1 PHE 86 1HE PHE 86 2.479 3.914 -2.657 1414 HE2 PHE 86 2HE PHE 86 1.828 3.861 -6.870 1415 HZ PHE 86 HZ PHE 86 1.108 4.522 -4.610 1416 H LYS 87 H LYS 87 7.984 3.342 -7.475 1417 HA LYS 87 HA LYS 87 6.906 6.048 -7.443 1418 1HB LYS 87 2HB LYS 87 8.469 5.343 -9.793 1419 2HB LYS 87 1HB LYS 87 8.729 6.623 -8.620 1420 1HG LYS 87 2HG LYS 87 9.560 4.608 -7.133 1421 2HG LYS 87 1HG LYS 87 9.840 3.880 -8.714 1422 1HD LYS 87 2HD LYS 87 10.942 6.508 -7.723 1423 2HD LYS 87 1HD LYS 87 11.846 5.011 -7.959 1424 1HE LYS 87 2HE LYS 87 10.940 5.203 -10.406 1425 2HE LYS 87 1HE LYS 87 10.735 6.903 -9.985 1426 1HZ LYS 87 1HZ LYS 87 13.092 5.542 -10.703 1427 2HZ LYS 87 2HZ LYS 87 13.271 6.147 -9.135 1428 3HZ LYS 87 3HZ LYS 87 12.875 7.193 -10.404 1429 H SER 88 H SER 88 5.934 6.959 -9.379 1430 HA SER 88 HA SER 88 4.395 4.960 -10.896 1431 1HB SER 88 2HB SER 88 3.589 7.490 -9.571 1432 2HB SER 88 1HB SER 88 2.849 7.143 -11.133 1433 HG SER 88 HG SER 88 1.535 6.033 -9.888 1434 H GLY 89 H GLY 89 6.982 6.405 -11.346 1435 1HA GLY 89 2HA GLY 89 6.433 7.133 -14.122 1436 2HA GLY 89 1HA GLY 89 7.171 8.368 -13.114 Start of MODEL 14 1 1H MET 1 1HT MET 1 -29.099 2.105 5.600 2 2H MET 1 2HT MET 1 -28.093 1.765 6.948 3 3H MET 1 3HT MET 1 -27.466 2.629 5.603 4 HA MET 1 HA MET 1 -29.672 4.017 6.404 5 1HB MET 1 2HB MET 1 -28.356 2.584 8.589 6 2HB MET 1 1HB MET 1 -28.411 4.323 8.844 7 1HG MET 1 2HG MET 1 -30.867 2.813 8.050 8 2HG MET 1 1HG MET 1 -30.335 2.866 9.729 9 1HE MET 1 1HE MET 1 -32.770 5.099 7.282 10 2HE MET 1 2HE MET 1 -31.202 4.618 6.631 11 3HE MET 1 3HE MET 1 -31.509 6.307 7.039 12 H CYS 2 H CYS 2 -26.206 3.590 7.052 13 HA CYS 2 HA CYS 2 -25.443 5.830 5.522 14 1HB CYS 2 2HB CYS 2 -24.469 6.973 7.752 15 2HB CYS 2 1HB CYS 2 -26.023 7.414 7.050 16 HG CYS 2 HG CYS 2 -26.832 6.937 9.323 17 H ASP 3 H ASP 3 -23.266 5.835 5.138 18 HA ASP 3 HA ASP 3 -21.679 3.845 6.623 19 1HB ASP 3 2HB ASP 3 -21.422 4.658 3.718 20 2HB ASP 3 1HB ASP 3 -20.392 3.495 4.549 21 H ARG 4 H ARG 4 -19.553 5.101 4.592 22 HA ARG 4 HA ARG 4 -17.921 6.693 4.667 23 1HB ARG 4 2HB ARG 4 -20.231 8.025 5.788 24 2HB ARG 4 1HB ARG 4 -18.757 8.576 6.570 25 1HG ARG 4 2HG ARG 4 -19.158 10.035 4.760 26 2HG ARG 4 1HG ARG 4 -17.816 8.995 4.282 27 1HD ARG 4 2HD ARG 4 -20.041 9.487 2.778 28 2HD ARG 4 1HD ARG 4 -18.971 8.101 2.584 29 HE ARG 4 HE ARG 4 -20.565 6.933 4.147 30 1HH1 ARG 4 1HH1 ARG 4 -21.567 9.575 2.111 31 2HH1 ARG 4 2HH1 ARG 4 -23.215 9.052 2.022 32 1HH2 ARG 4 1HH2 ARG 4 -22.732 6.231 4.032 33 2HH2 ARG 4 2HH2 ARG 4 -23.878 7.150 3.113 34 H LYS 5 H LYS 5 -18.855 7.579 7.896 35 HA LYS 5 HA LYS 5 -17.725 7.457 9.873 36 1HB LYS 5 2HB LYS 5 -18.194 4.765 8.901 37 2HB LYS 5 1HB LYS 5 -16.780 4.833 9.944 38 1HG LYS 5 2HG LYS 5 -19.108 6.282 10.970 39 2HG LYS 5 1HG LYS 5 -19.340 4.541 10.801 40 1HD LYS 5 2HD LYS 5 -17.376 4.114 12.152 41 2HD LYS 5 1HD LYS 5 -17.036 5.843 12.250 42 1HE LYS 5 2HE LYS 5 -18.094 5.479 14.260 43 2HE LYS 5 1HE LYS 5 -19.447 5.968 13.241 44 1HZ LYS 5 1HZ LYS 5 -18.710 3.134 13.695 45 2HZ LYS 5 2HZ LYS 5 -20.132 3.734 13.004 46 3HZ LYS 5 3HZ LYS 5 -19.834 3.958 14.653 47 H ALA 6 H ALA 6 -16.142 8.564 7.933 48 HA ALA 6 HA ALA 6 -13.491 7.662 8.781 49 1HB ALA 6 1HB ALA 6 -12.581 7.600 6.632 50 2HB ALA 6 2HB ALA 6 -13.958 8.446 5.926 51 3HB ALA 6 3HB ALA 6 -14.132 6.776 6.467 52 H VAL 7 H VAL 7 -11.789 9.324 8.106 53 HA VAL 7 HA VAL 7 -12.901 12.046 8.216 54 HB VAL 7 HB VAL 7 -10.494 11.139 9.797 55 1HG1 VAL 7 1HG1 VAL 7 -10.070 13.300 10.052 56 2HG1 VAL 7 2HG1 VAL 7 -11.664 13.530 10.770 57 3HG1 VAL 7 3HG1 VAL 7 -11.449 13.700 9.028 58 1HG2 VAL 7 1HG2 VAL 7 -11.898 11.346 11.785 59 2HG2 VAL 7 2HG2 VAL 7 -12.528 10.117 10.687 60 3HG2 VAL 7 3HG2 VAL 7 -13.295 11.704 10.768 61 H ILE 8 H ILE 8 -12.464 12.222 5.972 62 HA ILE 8 HA ILE 8 -10.132 11.650 4.642 63 HB ILE 8 HB ILE 8 -12.326 13.595 4.215 64 1HG1 ILE 8 2HG1 ILE 8 -11.993 12.500 1.857 65 2HG1 ILE 8 1HG1 ILE 8 -10.997 11.352 2.746 66 1HG2 ILE 8 1HG2 ILE 8 -9.771 13.829 2.628 67 2HG2 ILE 8 2HG2 ILE 8 -10.352 15.012 3.800 68 3HG2 ILE 8 3HG2 ILE 8 -11.278 14.699 2.332 69 1HD1 ILE 8 1HD1 ILE 8 -12.776 10.464 3.865 70 2HD1 ILE 8 2HD1 ILE 8 -13.544 10.913 2.341 71 3HD1 ILE 8 3HD1 ILE 8 -13.726 11.946 3.758 72 H LYS 9 H LYS 9 -8.372 12.979 3.945 73 HA LYS 9 HA LYS 9 -7.720 15.299 5.587 74 1HB LYS 9 2HB LYS 9 -5.595 13.219 5.269 75 2HB LYS 9 1HB LYS 9 -5.760 14.465 6.499 76 1HG LYS 9 2HG LYS 9 -7.651 12.142 6.335 77 2HG LYS 9 1HG LYS 9 -6.121 12.051 7.211 78 1HD LYS 9 2HD LYS 9 -6.885 14.150 8.435 79 2HD LYS 9 1HD LYS 9 -8.481 13.833 7.752 80 1HE LYS 9 2HE LYS 9 -8.834 12.535 9.530 81 2HE LYS 9 1HE LYS 9 -7.725 11.388 8.779 82 1HZ LYS 9 1HZ LYS 9 -7.176 13.357 10.908 83 2HZ LYS 9 2HZ LYS 9 -5.921 12.730 9.962 84 3HZ LYS 9 3HZ LYS 9 -6.872 11.692 10.898 85 H ASN 10 H ASN 10 -7.619 13.517 2.730 86 HA ASN 10 HA ASN 10 -6.578 15.689 1.218 87 1HB ASN 10 2HB ASN 10 -4.619 14.042 2.273 88 2HB ASN 10 1HB ASN 10 -4.854 13.402 0.648 89 1HD2 ASN 10 1HD2 ASN 10 -5.732 16.151 -0.211 90 2HD2 ASN 10 2HD2 ASN 10 -4.256 17.021 -0.433 91 H ALA 11 H ALA 11 -8.737 15.189 0.393 92 HA ALA 11 HA ALA 11 -8.866 12.775 -1.266 93 1HB ALA 11 1HB ALA 11 -11.328 13.628 -1.495 94 2HB ALA 11 2HB ALA 11 -10.922 14.551 -0.049 95 3HB ALA 11 3HB ALA 11 -10.797 12.791 -0.036 96 H ASP 12 H ASP 12 -7.347 13.771 -2.798 97 HA ASP 12 HA ASP 12 -8.226 16.041 -4.332 98 1HB ASP 12 2HB ASP 12 -5.810 15.459 -3.964 99 2HB ASP 12 1HB ASP 12 -6.042 14.059 -5.007 100 H MET 13 H MET 13 -10.013 13.760 -4.144 101 HA MET 13 HA MET 13 -10.212 13.057 -6.997 102 1HB MET 13 2HB MET 13 -9.762 11.012 -5.986 103 2HB MET 13 1HB MET 13 -10.643 11.426 -4.524 104 1HG MET 13 2HG MET 13 -12.599 11.435 -6.459 105 2HG MET 13 1HG MET 13 -11.551 10.102 -6.940 106 1HE MET 13 1HE MET 13 -10.566 8.573 -5.373 107 2HE MET 13 2HE MET 13 -11.702 7.501 -4.554 108 3HE MET 13 3HE MET 13 -10.806 8.707 -3.631 109 H SER 14 H SER 14 -12.458 12.595 -7.717 110 HA SER 14 HA SER 14 -14.156 14.730 -7.352 111 1HB SER 14 2HB SER 14 -14.226 12.269 -8.768 112 2HB SER 14 1HB SER 14 -15.760 12.423 -7.913 113 HG SER 14 HG SER 14 -16.303 13.808 -9.380 114 H GLU 15 H GLU 15 -15.540 15.364 -5.822 115 HA GLU 15 HA GLU 15 -15.665 14.504 -3.283 116 1HB GLU 15 2HB GLU 15 -18.329 15.232 -4.328 117 2HB GLU 15 1HB GLU 15 -17.414 15.921 -2.994 118 1HG GLU 15 2HG GLU 15 -16.761 16.424 -5.883 119 2HG GLU 15 1HG GLU 15 -17.826 17.453 -4.928 120 H GLU 16 H GLU 16 -18.455 13.716 -5.341 121 HA GLU 16 HA GLU 16 -19.541 11.721 -3.840 122 1HB GLU 16 2HB GLU 16 -19.371 11.668 -6.860 123 2HB GLU 16 1HB GLU 16 -20.578 10.865 -5.866 124 1HG GLU 16 2HG GLU 16 -20.600 13.611 -5.187 125 2HG GLU 16 1HG GLU 16 -20.615 13.488 -6.945 126 H MET 17 H MET 17 -16.709 11.535 -5.873 127 HA MET 17 HA MET 17 -16.508 8.692 -5.880 128 1HB MET 17 2HB MET 17 -14.754 10.968 -6.654 129 2HB MET 17 1HB MET 17 -13.977 9.422 -6.341 130 1HG MET 17 2HG MET 17 -16.250 8.989 -7.997 131 2HG MET 17 1HG MET 17 -15.274 10.286 -8.683 132 1HE MET 17 1HE MET 17 -14.498 6.049 -7.763 133 2HE MET 17 2HE MET 17 -14.800 7.320 -6.576 134 3HE MET 17 3HE MET 17 -13.145 6.853 -6.967 135 H GLN 18 H GLN 18 -15.290 11.269 -3.823 136 HA GLN 18 HA GLN 18 -13.557 9.651 -2.261 137 1HB GLN 18 2HB GLN 18 -14.642 11.899 -0.793 138 2HB GLN 18 1HB GLN 18 -12.992 11.604 -1.320 139 1HG GLN 18 2HG GLN 18 -14.306 12.318 -3.640 140 2HG GLN 18 1HG GLN 18 -15.003 13.373 -2.411 141 1HE2 GLN 18 1HE2 GLN 18 -11.845 12.127 -3.439 142 2HE2 GLN 18 2HE2 GLN 18 -10.996 13.616 -3.226 143 H GLN 19 H GLN 19 -16.965 10.365 -2.163 144 HA GLN 19 HA GLN 19 -17.373 9.327 0.482 145 1HB GLN 19 2HB GLN 19 -19.606 9.885 0.201 146 2HB GLN 19 1HB GLN 19 -18.833 11.021 -0.895 147 1HG GLN 19 2HG GLN 19 -19.274 9.356 -2.735 148 2HG GLN 19 1HG GLN 19 -20.284 8.483 -1.583 149 1HE2 GLN 19 1HE2 GLN 19 -19.842 11.944 -2.197 150 2HE2 GLN 19 2HE2 GLN 19 -21.505 12.275 -2.527 151 H ASP 20 H ASP 20 -17.635 8.166 -2.819 152 HA ASP 20 HA ASP 20 -18.760 5.638 -2.140 153 1HB ASP 20 2HB ASP 20 -17.938 7.019 -4.552 154 2HB ASP 20 1HB ASP 20 -17.393 5.344 -4.573 155 H SER 21 H SER 21 -15.598 7.000 -2.217 156 HA SER 21 HA SER 21 -14.137 4.548 -2.295 157 1HB SER 21 2HB SER 21 -12.487 6.013 -2.703 158 2HB SER 21 1HB SER 21 -13.537 7.358 -2.256 159 HG SER 21 HG SER 21 -12.839 7.219 -0.178 160 H VAL 22 H VAL 22 -14.977 6.848 0.283 161 HA VAL 22 HA VAL 22 -13.849 5.414 2.410 162 HB VAL 22 HB VAL 22 -16.319 7.135 2.610 163 1HG1 VAL 22 1HG1 VAL 22 -14.096 6.610 4.577 164 2HG1 VAL 22 2HG1 VAL 22 -15.680 5.835 4.606 165 3HG1 VAL 22 3HG1 VAL 22 -15.545 7.576 4.857 166 1HG2 VAL 22 1HG2 VAL 22 -13.757 8.425 3.155 167 2HG2 VAL 22 2HG2 VAL 22 -15.149 9.007 2.241 168 3HG2 VAL 22 3HG2 VAL 22 -13.963 7.953 1.468 169 H GLU 23 H GLU 23 -17.017 5.242 0.877 170 HA GLU 23 HA GLU 23 -18.187 3.470 2.753 171 1HB GLU 23 2HB GLU 23 -18.855 3.949 -0.159 172 2HB GLU 23 1HB GLU 23 -19.859 3.044 0.965 173 1HG GLU 23 2HG GLU 23 -20.058 5.083 2.356 174 2HG GLU 23 1HG GLU 23 -19.158 5.967 1.125 175 H CYS 24 H CYS 24 -16.347 3.033 -0.209 176 HA CYS 24 HA CYS 24 -16.659 0.203 -0.334 177 1HB CYS 24 2HB CYS 24 -14.684 2.112 -1.591 178 2HB CYS 24 1HB CYS 24 -14.624 0.373 -1.864 179 HG CYS 24 HG CYS 24 -16.298 0.682 -3.607 180 H ALA 25 H ALA 25 -14.406 2.410 1.178 181 HA ALA 25 HA ALA 25 -12.523 0.406 1.981 182 1HB ALA 25 1HB ALA 25 -12.802 3.284 2.224 183 2HB ALA 25 2HB ALA 25 -11.345 2.291 2.264 184 3HB ALA 25 3HB ALA 25 -12.273 2.554 3.740 185 H THR 26 H THR 26 -15.349 1.970 3.260 186 HA THR 26 HA THR 26 -15.227 0.896 5.883 187 HB THR 26 HB THR 26 -17.518 2.006 4.254 188 HG1 THR 26 1HG THR 26 -17.155 3.847 5.476 189 1HG2 THR 26 1HG2 THR 26 -18.071 2.351 6.950 190 2HG2 THR 26 2HG2 THR 26 -17.585 0.664 6.786 191 3HG2 THR 26 3HG2 THR 26 -18.908 1.301 5.808 192 H GLN 27 H GLN 27 -16.625 -0.105 2.825 193 HA GLN 27 HA GLN 27 -18.186 -2.253 3.754 194 1HB GLN 27 2HB GLN 27 -17.031 -1.424 1.145 195 2HB GLN 27 1HB GLN 27 -17.502 -3.111 1.300 196 1HG GLN 27 2HG GLN 27 -19.277 -0.720 1.735 197 2HG GLN 27 1HG GLN 27 -19.293 -1.797 0.339 198 1HE2 GLN 27 1HE2 GLN 27 -19.445 -4.206 1.081 199 2HE2 GLN 27 2HE2 GLN 27 -20.707 -4.530 2.214 200 H ALA 28 H ALA 28 -14.805 -1.961 2.833 201 HA ALA 28 HA ALA 28 -14.203 -4.746 3.092 202 1HB ALA 28 1HB ALA 28 -12.902 -2.846 1.845 203 2HB ALA 28 2HB ALA 28 -12.019 -4.175 2.596 204 3HB ALA 28 3HB ALA 28 -12.128 -2.617 3.413 205 H LEU 29 H LEU 29 -14.367 -1.998 5.201 206 HA LEU 29 HA LEU 29 -12.893 -3.110 7.365 207 1HB LEU 29 2HB LEU 29 -14.814 -0.817 7.130 208 2HB LEU 29 1HB LEU 29 -14.127 -1.289 8.672 209 HG LEU 29 HG LEU 29 -12.083 -0.952 6.634 210 1HD1 LEU 29 1HD1 LEU 29 -13.532 1.548 7.426 211 2HD1 LEU 29 2HD1 LEU 29 -13.890 0.694 5.925 212 3HD1 LEU 29 3HD1 LEU 29 -12.272 1.338 6.209 213 1HD2 LEU 29 1HD2 LEU 29 -11.748 0.885 8.695 214 2HD2 LEU 29 2HD2 LEU 29 -11.018 -0.716 8.568 215 3HD2 LEU 29 3HD2 LEU 29 -12.533 -0.503 9.447 216 H GLU 30 H GLU 30 -16.316 -2.909 6.525 217 HA GLU 30 HA GLU 30 -17.263 -4.093 8.936 218 1HB GLU 30 2HB GLU 30 -18.390 -2.951 6.563 219 2HB GLU 30 1HB GLU 30 -19.143 -4.514 6.855 220 1HG GLU 30 2HG GLU 30 -19.745 -3.824 9.105 221 2HG GLU 30 1HG GLU 30 -18.951 -2.271 8.852 222 H LYS 31 H LYS 31 -16.270 -5.332 5.813 223 HA LYS 31 HA LYS 31 -17.236 -8.004 6.401 224 1HB LYS 31 2HB LYS 31 -15.939 -6.677 4.060 225 2HB LYS 31 1HB LYS 31 -15.850 -8.428 4.191 226 1HG LYS 31 2HG LYS 31 -18.017 -8.708 3.678 227 2HG LYS 31 1HG LYS 31 -18.526 -7.285 4.588 228 1HD LYS 31 2HD LYS 31 -18.808 -6.265 2.625 229 2HD LYS 31 1HD LYS 31 -17.050 -6.255 2.475 230 1HE LYS 31 2HE LYS 31 -18.724 -7.384 0.676 231 2HE LYS 31 1HE LYS 31 -17.048 -7.876 0.916 232 1HZ LYS 31 1HZ LYS 31 -17.669 -9.824 1.785 233 2HZ LYS 31 2HZ LYS 31 -19.174 -9.520 1.076 234 3HZ LYS 31 3HZ LYS 31 -18.918 -9.148 2.705 235 H TYR 32 H TYR 32 -14.290 -6.189 6.613 236 HA TYR 32 HA TYR 32 -13.020 -8.358 8.034 237 1HB TYR 32 2HB TYR 32 -11.096 -7.433 6.095 238 2HB TYR 32 1HB TYR 32 -11.605 -9.079 6.453 239 HD1 TYR 32 1HD TYR 32 -12.339 -6.101 4.389 240 HD2 TYR 32 2HD TYR 32 -13.101 -10.240 5.012 241 HE1 TYR 32 1HE TYR 32 -13.467 -6.214 2.208 242 HE2 TYR 32 2HE TYR 32 -14.230 -10.365 2.830 243 HH TYR 32 HH TYR 32 -13.917 -8.186 0.466 244 H ASN 33 H ASN 33 -10.614 -7.591 8.536 245 HA ASN 33 HA ASN 33 -10.309 -4.739 8.774 246 1HB ASN 33 2HB ASN 33 -10.052 -4.939 11.328 247 2HB ASN 33 1HB ASN 33 -11.685 -4.888 10.669 248 1HD2 ASN 33 1HD2 ASN 33 -9.328 -7.523 10.865 249 2HD2 ASN 33 2HD2 ASN 33 -10.335 -8.587 11.780 250 H ILE 34 H ILE 34 -8.779 -6.714 7.517 251 HA ILE 34 HA ILE 34 -6.432 -7.025 9.258 252 HB ILE 34 HB ILE 34 -6.933 -8.294 6.569 253 1HG1 ILE 34 2HG1 ILE 34 -8.579 -9.082 8.183 254 2HG1 ILE 34 1HG1 ILE 34 -7.412 -10.354 7.831 255 1HG2 ILE 34 1HG2 ILE 34 -4.775 -8.789 6.658 256 2HG2 ILE 34 2HG2 ILE 34 -5.131 -9.812 8.050 257 3HG2 ILE 34 3HG2 ILE 34 -4.634 -8.136 8.290 258 1HD1 ILE 34 1HD1 ILE 34 -7.412 -10.559 10.060 259 2HD1 ILE 34 2HD1 ILE 34 -7.935 -8.895 10.323 260 3HD1 ILE 34 3HD1 ILE 34 -6.243 -9.243 9.964 261 H GLU 35 H GLU 35 -7.013 -4.449 8.244 262 HA GLU 35 HA GLU 35 -6.182 -2.747 6.953 263 1HB GLU 35 2HB GLU 35 -3.703 -4.310 7.681 264 2HB GLU 35 1HB GLU 35 -3.650 -2.728 6.917 265 1HG GLU 35 2HG GLU 35 -3.595 -1.924 8.989 266 2HG GLU 35 1HG GLU 35 -5.321 -2.284 9.029 267 H LYS 36 H LYS 36 -3.700 -5.009 5.882 268 HA LYS 36 HA LYS 36 -3.777 -4.347 3.215 269 1HB LYS 36 2HB LYS 36 -3.291 -7.212 3.762 270 2HB LYS 36 1HB LYS 36 -2.296 -6.045 2.904 271 1HG LYS 36 2HG LYS 36 -1.915 -5.064 5.301 272 2HG LYS 36 1HG LYS 36 -2.388 -6.688 5.807 273 1HD LYS 36 2HD LYS 36 0.023 -6.553 5.584 274 2HD LYS 36 1HD LYS 36 -0.641 -7.627 4.351 275 1HE LYS 36 2HE LYS 36 -0.405 -5.965 2.664 276 2HE LYS 36 1HE LYS 36 -0.027 -4.722 3.855 277 1HZ LYS 36 1HZ LYS 36 1.801 -6.113 2.463 278 2HZ LYS 36 2HZ LYS 36 1.745 -7.000 3.902 279 3HZ LYS 36 3HZ LYS 36 2.104 -5.348 3.941 280 H ASP 37 H ASP 37 -5.833 -6.553 4.998 281 HA ASP 37 HA ASP 37 -7.066 -7.807 2.780 282 1HB ASP 37 2HB ASP 37 -7.534 -7.635 5.685 283 2HB ASP 37 1HB ASP 37 -8.990 -7.881 4.726 284 H ILE 38 H ILE 38 -7.945 -4.992 4.749 285 HA ILE 38 HA ILE 38 -10.364 -4.413 3.410 286 HB ILE 38 HB ILE 38 -8.521 -2.584 4.954 287 1HG1 ILE 38 2HG1 ILE 38 -11.003 -3.096 6.254 288 2HG1 ILE 38 1HG1 ILE 38 -10.327 -4.645 5.756 289 1HG2 ILE 38 1HG2 ILE 38 -11.408 -2.058 4.313 290 2HG2 ILE 38 2HG2 ILE 38 -10.094 -1.482 3.288 291 3HG2 ILE 38 3HG2 ILE 38 -10.205 -0.944 4.963 292 1HD1 ILE 38 1HD1 ILE 38 -9.710 -3.272 8.046 293 2HD1 ILE 38 2HD1 ILE 38 -8.358 -2.894 6.980 294 3HD1 ILE 38 3HD1 ILE 38 -8.761 -4.574 7.331 295 H ALA 39 H ALA 39 -7.021 -3.426 2.892 296 HA ALA 39 HA ALA 39 -7.477 -1.447 0.950 297 1HB ALA 39 1HB ALA 39 -5.162 -3.092 1.798 298 2HB ALA 39 2HB ALA 39 -5.318 -1.341 1.653 299 3HB ALA 39 3HB ALA 39 -5.067 -2.327 0.212 300 H ALA 40 H ALA 40 -6.962 -4.939 0.681 301 HA ALA 40 HA ALA 40 -6.932 -5.095 -2.128 302 1HB ALA 40 1HB ALA 40 -7.293 -7.453 -1.845 303 2HB ALA 40 2HB ALA 40 -7.908 -7.209 -0.211 304 3HB ALA 40 3HB ALA 40 -6.209 -6.899 -0.568 305 H HIS 41 H HIS 41 -9.563 -5.751 0.170 306 HA HIS 41 HA HIS 41 -11.631 -6.244 -1.560 307 1HB HIS 41 2HB HIS 41 -12.177 -6.527 0.683 308 2HB HIS 41 1HB HIS 41 -11.488 -4.978 1.152 309 HD1 HIS 41 1HD HIS 41 -14.605 -6.509 1.048 310 HD2 HIS 41 2HD HIS 41 -13.230 -2.816 -0.268 311 HE1 HIS 41 1HE HIS 41 -16.651 -5.057 0.861 312 HE2 HIS 41 2HE HIS 41 -15.780 -2.798 0.163 313 H ILE 42 H ILE 42 -10.510 -3.089 -0.396 314 HA ILE 42 HA ILE 42 -12.403 -1.549 -1.826 315 HB ILE 42 HB ILE 42 -9.666 -0.693 -0.881 316 1HG1 ILE 42 2HG1 ILE 42 -12.181 -0.146 0.641 317 2HG1 ILE 42 1HG1 ILE 42 -11.446 -1.741 0.776 318 1HG2 ILE 42 1HG2 ILE 42 -11.295 1.470 -0.667 319 2HG2 ILE 42 2HG2 ILE 42 -11.932 0.692 -2.116 320 3HG2 ILE 42 3HG2 ILE 42 -10.230 1.144 -2.034 321 1HD1 ILE 42 1HD1 ILE 42 -9.501 -0.883 1.747 322 2HD1 ILE 42 2HD1 ILE 42 -10.822 -0.005 2.519 323 3HD1 ILE 42 3HD1 ILE 42 -9.875 0.767 1.246 324 H LYS 43 H LYS 43 -8.887 -1.659 -2.393 325 HA LYS 43 HA LYS 43 -8.768 -0.492 -4.837 326 1HB LYS 43 2HB LYS 43 -6.811 -1.282 -3.529 327 2HB LYS 43 1HB LYS 43 -7.164 -2.927 -4.038 328 1HG LYS 43 2HG LYS 43 -7.029 -1.302 -6.359 329 2HG LYS 43 1HG LYS 43 -5.618 -0.957 -5.359 330 1HD LYS 43 2HD LYS 43 -6.056 -3.774 -5.380 331 2HD LYS 43 1HD LYS 43 -6.079 -3.187 -7.043 332 1HE LYS 43 2HE LYS 43 -3.946 -1.945 -5.565 333 2HE LYS 43 1HE LYS 43 -3.838 -3.701 -5.441 334 1HZ LYS 43 1HZ LYS 43 -2.646 -2.700 -7.372 335 2HZ LYS 43 2HZ LYS 43 -4.148 -2.269 -8.020 336 3HZ LYS 43 3HZ LYS 43 -3.766 -3.900 -7.786 337 H LYS 44 H LYS 44 -9.771 -3.786 -4.144 338 HA LYS 44 HA LYS 44 -9.799 -4.720 -6.812 339 1HB LYS 44 2HB LYS 44 -10.693 -5.667 -4.201 340 2HB LYS 44 1HB LYS 44 -11.770 -6.158 -5.501 341 1HG LYS 44 2HG LYS 44 -9.381 -6.757 -6.602 342 2HG LYS 44 1HG LYS 44 -9.027 -7.013 -4.892 343 1HD LYS 44 2HD LYS 44 -9.849 -9.076 -5.354 344 2HD LYS 44 1HD LYS 44 -11.384 -8.269 -5.031 345 1HE LYS 44 2HE LYS 44 -11.578 -9.538 -7.066 346 2HE LYS 44 1HE LYS 44 -11.606 -7.819 -7.457 347 1HZ LYS 44 1HZ LYS 44 -9.050 -9.267 -7.526 348 2HZ LYS 44 2HZ LYS 44 -9.537 -7.910 -8.410 349 3HZ LYS 44 3HZ LYS 44 -10.130 -9.441 -8.817 350 H GLU 45 H GLU 45 -12.547 -3.840 -4.732 351 HA GLU 45 HA GLU 45 -14.518 -3.862 -6.672 352 1HB GLU 45 2HB GLU 45 -14.307 -2.069 -4.246 353 2HB GLU 45 1HB GLU 45 -15.773 -2.324 -5.183 354 1HG GLU 45 2HG GLU 45 -15.152 -4.871 -4.621 355 2HG GLU 45 1HG GLU 45 -14.449 -4.072 -3.215 356 H PHE 46 H PHE 46 -12.588 -1.080 -5.569 357 HA PHE 46 HA PHE 46 -13.655 0.869 -7.218 358 1HB PHE 46 2HB PHE 46 -11.191 0.502 -5.694 359 2HB PHE 46 1HB PHE 46 -10.961 1.502 -7.125 360 HD1 PHE 46 1HD PHE 46 -11.925 3.684 -7.282 361 HD2 PHE 46 2HD PHE 46 -12.722 1.197 -3.922 362 HE1 PHE 46 1HE PHE 46 -12.855 5.616 -6.078 363 HE2 PHE 46 2HE PHE 46 -13.655 3.125 -2.713 364 HZ PHE 46 HZ PHE 46 -13.722 5.338 -3.789 365 H ASP 47 H ASP 47 -10.846 -1.218 -7.872 366 HA ASP 47 HA ASP 47 -10.286 -0.289 -10.437 367 1HB ASP 47 2HB ASP 47 -9.740 -2.831 -8.967 368 2HB ASP 47 1HB ASP 47 -9.428 -2.779 -10.699 369 H LYS 48 H LYS 48 -12.781 -2.426 -9.315 370 HA LYS 48 HA LYS 48 -13.571 -2.933 -12.102 371 1HB LYS 48 2HB LYS 48 -13.902 -4.557 -9.600 372 2HB LYS 48 1HB LYS 48 -14.963 -4.810 -10.979 373 1HG LYS 48 2HG LYS 48 -11.962 -5.067 -10.976 374 2HG LYS 48 1HG LYS 48 -13.127 -6.393 -10.995 375 1HD LYS 48 2HD LYS 48 -12.767 -4.301 -13.139 376 2HD LYS 48 1HD LYS 48 -12.262 -5.990 -13.231 377 1HE LYS 48 2HE LYS 48 -14.727 -6.545 -12.797 378 2HE LYS 48 1HE LYS 48 -15.042 -4.857 -13.196 379 1HZ LYS 48 1HZ LYS 48 -13.439 -5.710 -15.218 380 2HZ LYS 48 2HZ LYS 48 -15.122 -5.557 -15.292 381 3HZ LYS 48 3HZ LYS 48 -14.425 -7.054 -14.927 382 H LYS 49 H LYS 49 -14.208 -0.796 -9.868 383 HA LYS 49 HA LYS 49 -17.108 -0.813 -10.356 384 1HB LYS 49 2HB LYS 49 -15.549 -0.258 -7.884 385 2HB LYS 49 1HB LYS 49 -16.986 0.713 -8.170 386 1HG LYS 49 2HG LYS 49 -17.557 -2.064 -8.625 387 2HG LYS 49 1HG LYS 49 -16.847 -1.828 -7.026 388 1HD LYS 49 2HD LYS 49 -19.182 -0.259 -8.117 389 2HD LYS 49 1HD LYS 49 -19.325 -1.657 -7.049 390 1HE LYS 49 2HE LYS 49 -17.911 0.931 -6.412 391 2HE LYS 49 1HE LYS 49 -19.487 0.436 -5.801 392 1HZ LYS 49 1HZ LYS 49 -16.879 -0.869 -5.248 393 2HZ LYS 49 2HZ LYS 49 -18.374 -1.491 -4.761 394 3HZ LYS 49 3HZ LYS 49 -17.837 -0.009 -4.151 395 H TYR 50 H TYR 50 -14.256 0.719 -11.059 396 HA TYR 50 HA TYR 50 -15.681 3.075 -12.002 397 1HB TYR 50 2HB TYR 50 -13.150 3.426 -10.400 398 2HB TYR 50 1HB TYR 50 -14.251 4.674 -10.975 399 HD1 TYR 50 1HD TYR 50 -16.155 5.310 -9.704 400 HD2 TYR 50 2HD TYR 50 -13.863 1.919 -8.539 401 HE1 TYR 50 1HE TYR 50 -17.355 5.243 -7.558 402 HE2 TYR 50 2HE TYR 50 -15.058 1.843 -6.391 403 HH TYR 50 HH TYR 50 -16.359 3.170 -4.961 404 H ASN 51 H ASN 51 -12.326 1.918 -11.613 405 HA ASN 51 HA ASN 51 -11.702 1.120 -14.108 406 1HB ASN 51 2HB ASN 51 -10.634 3.290 -15.058 407 2HB ASN 51 1HB ASN 51 -12.369 3.053 -15.242 408 1HD2 ASN 51 1HD2 ASN 51 -9.872 4.835 -13.629 409 2HD2 ASN 51 2HD2 ASN 51 -10.891 6.067 -12.974 410 HA PRO 52 HA PRO 52 -8.102 0.730 -11.456 411 1HB PRO 52 2HB PRO 52 -6.677 -0.860 -13.168 412 2HB PRO 52 1HB PRO 52 -7.932 -1.461 -12.080 413 1HG PRO 52 2HG PRO 52 -8.104 -0.801 -14.992 414 2HG PRO 52 1HG PRO 52 -8.791 -2.180 -14.112 415 1HD PRO 52 2HD PRO 52 -10.289 -0.058 -14.819 416 2HD PRO 52 1HD PRO 52 -10.568 -0.939 -13.303 417 H THR 53 H THR 53 -5.201 2.327 -12.819 418 HA THR 53 HA THR 53 -6.335 0.199 -11.145 419 HB THR 53 HB THR 53 -4.335 -0.539 -12.251 420 HG1 THR 53 1HG THR 53 -2.986 -0.193 -9.995 421 1HG2 THR 53 1HG2 THR 53 -2.151 0.576 -11.752 422 2HG2 THR 53 2HG2 THR 53 -3.078 1.961 -11.177 423 3HG2 THR 53 3HG2 THR 53 -3.217 1.444 -12.857 424 H TRP 54 H TRP 54 -6.904 0.710 -9.158 425 HA TRP 54 HA TRP 54 -6.128 3.289 -8.067 426 1HB TRP 54 2HB TRP 54 -8.035 1.206 -6.988 427 2HB TRP 54 1HB TRP 54 -7.809 2.825 -6.337 428 HD1 TRP 54 HD TRP 54 -8.801 1.293 -9.772 429 HE1 TRP 54 1HE TRP 54 -10.657 2.765 -10.773 430 HE3 TRP 54 3HE TRP 54 -9.080 4.846 -6.111 431 HZ2 TRP 54 2HZ TRP 54 -12.059 5.125 -10.099 432 HZ3 TRP 54 3HZ TRP 54 -10.703 6.677 -6.363 433 HH2 TRP 54 HH TRP 54 -12.160 6.814 -8.316 434 H HIS 55 H HIS 55 -4.841 3.634 -6.365 435 HA HIS 55 HA HIS 55 -3.513 1.302 -5.168 436 1HB HIS 55 2HB HIS 55 -2.603 4.160 -4.873 437 2HB HIS 55 1HB HIS 55 -1.657 2.685 -4.702 438 HD1 HIS 55 1HD HIS 55 -3.683 2.526 -7.697 439 HD2 HIS 55 2HD HIS 55 0.002 4.144 -6.663 440 HE1 HIS 55 1HE HIS 55 -2.493 2.932 -9.874 441 HE2 HIS 55 2HE HIS 55 -0.227 3.818 -9.219 442 H CYS 56 H CYS 56 -4.655 0.686 -3.417 443 HA CYS 56 HA CYS 56 -5.604 2.798 -1.600 444 1HB CYS 56 2HB CYS 56 -6.671 0.020 -1.435 445 2HB CYS 56 1HB CYS 56 -7.470 1.552 -1.103 446 HG CYS 56 HG CYS 56 -6.943 1.273 -4.051 447 H ILE 57 H ILE 57 -4.723 2.972 0.310 448 HA ILE 57 HA ILE 57 -3.396 0.621 1.489 449 HB ILE 57 HB ILE 57 -2.409 3.467 1.637 450 1HG1 ILE 57 2HG1 ILE 57 -1.477 1.021 0.131 451 2HG1 ILE 57 1HG1 ILE 57 -1.913 2.595 -0.525 452 1HG2 ILE 57 1HG2 ILE 57 -1.055 0.991 2.696 453 2HG2 ILE 57 2HG2 ILE 57 -2.113 1.995 3.688 454 3HG2 ILE 57 3HG2 ILE 57 -0.639 2.678 2.999 455 1HD1 ILE 57 1HD1 ILE 57 0.069 3.575 0.253 456 2HD1 ILE 57 2HD1 ILE 57 0.535 2.029 -0.459 457 3HD1 ILE 57 3HD1 ILE 57 0.431 2.199 1.294 458 H VAL 58 H VAL 58 -4.897 0.070 2.965 459 HA VAL 58 HA VAL 58 -6.011 2.137 4.713 460 HB VAL 58 HB VAL 58 -7.680 0.710 3.765 461 1HG1 VAL 58 1HG1 VAL 58 -7.059 -1.328 3.122 462 2HG1 VAL 58 2HG1 VAL 58 -7.278 -1.828 4.799 463 3HG1 VAL 58 3HG1 VAL 58 -5.684 -1.335 4.228 464 1HG2 VAL 58 1HG2 VAL 58 -7.396 -0.406 6.526 465 2HG2 VAL 58 2HG2 VAL 58 -8.846 0.138 5.682 466 3HG2 VAL 58 3HG2 VAL 58 -7.684 1.317 6.290 467 H GLY 59 H GLY 59 -5.214 2.437 6.690 468 1HA GLY 59 2HA GLY 59 -4.088 0.160 8.139 469 2HA GLY 59 1HA GLY 59 -3.042 1.546 7.863 470 H ARG 60 H ARG 60 -2.843 1.955 10.078 471 HA ARG 60 HA ARG 60 -4.958 3.573 11.156 472 1HB ARG 60 2HB ARG 60 -4.707 2.123 13.352 473 2HB ARG 60 1HB ARG 60 -5.890 1.731 12.112 474 1HG ARG 60 2HG ARG 60 -3.939 0.261 11.164 475 2HG ARG 60 1HG ARG 60 -3.362 0.343 12.829 476 1HD ARG 60 2HD ARG 60 -6.219 -0.333 12.346 477 2HD ARG 60 1HD ARG 60 -5.001 -1.567 12.026 478 HE ARG 60 HE ARG 60 -6.004 -1.020 14.507 479 1HH1 ARG 60 1HH1 ARG 60 -2.843 -0.947 13.049 480 2HH1 ARG 60 2HH1 ARG 60 -2.012 -1.311 14.523 481 1HH2 ARG 60 1HH2 ARG 60 -4.918 -1.497 16.457 482 2HH2 ARG 60 2HH2 ARG 60 -3.191 -1.623 16.461 483 H ASN 61 H ASN 61 -1.933 3.333 10.460 484 HA ASN 61 HA ASN 61 -0.980 5.347 12.084 485 1HB ASN 61 2HB ASN 61 -1.249 3.328 13.759 486 2HB ASN 61 1HB ASN 61 0.281 2.813 13.055 487 1HD2 ASN 61 1HD2 ASN 61 1.338 3.110 15.022 488 2HD2 ASN 61 2HD2 ASN 61 1.725 4.684 15.623 489 H PHE 62 H PHE 62 -0.876 4.400 9.400 490 HA PHE 62 HA PHE 62 1.953 3.745 9.009 491 1HB PHE 62 2HB PHE 62 1.379 3.110 6.772 492 2HB PHE 62 1HB PHE 62 0.178 2.401 7.845 493 HD1 PHE 62 1HD PHE 62 -2.046 2.622 7.315 494 HD2 PHE 62 2HD PHE 62 0.734 5.455 5.781 495 HE1 PHE 62 1HE PHE 62 -3.843 3.665 5.998 496 HE2 PHE 62 2HE PHE 62 -1.059 6.505 4.462 497 HZ PHE 62 HZ PHE 62 -3.351 5.610 4.569 498 H GLY 63 H GLY 63 3.180 4.896 7.382 499 1HA GLY 63 2HA GLY 63 2.360 7.726 7.177 500 2HA GLY 63 1HA GLY 63 4.030 7.195 7.337 501 H SER 64 H SER 64 1.247 7.280 5.202 502 HA SER 64 HA SER 64 2.702 6.231 2.958 503 1HB SER 64 2HB SER 64 0.673 6.584 1.695 504 2HB SER 64 1HB SER 64 0.249 5.900 3.264 505 HG SER 64 HG SER 64 -0.146 8.496 2.281 506 H TYR 65 H TYR 65 3.604 7.276 1.288 507 HA TYR 65 HA TYR 65 3.339 10.177 1.077 508 1HB TYR 65 2HB TYR 65 5.497 9.202 2.386 509 2HB TYR 65 1HB TYR 65 6.099 9.160 0.732 510 HD1 TYR 65 1HD TYR 65 4.308 11.482 3.052 511 HD2 TYR 65 2HD TYR 65 7.143 11.049 -0.088 512 HE1 TYR 65 1HE TYR 65 4.807 13.886 3.179 513 HE2 TYR 65 2HE TYR 65 7.653 13.451 0.031 514 HH TYR 65 HH TYR 65 7.372 15.337 1.231 515 H VAL 66 H VAL 66 2.018 8.782 -0.606 516 HA VAL 66 HA VAL 66 3.674 8.289 -2.984 517 HB VAL 66 HB VAL 66 1.660 7.153 -3.895 518 1HG1 VAL 66 1HG1 VAL 66 3.010 6.257 -1.395 519 2HG1 VAL 66 2HG1 VAL 66 3.117 5.606 -3.030 520 3HG1 VAL 66 3HG1 VAL 66 1.688 5.288 -2.046 521 1HG2 VAL 66 1HG2 VAL 66 0.549 7.790 -1.170 522 2HG2 VAL 66 2HG2 VAL 66 -0.136 6.566 -2.238 523 3HG2 VAL 66 3HG2 VAL 66 -0.104 8.257 -2.739 524 H THR 67 H THR 67 3.572 9.619 -4.686 525 HA THR 67 HA THR 67 1.899 11.966 -4.542 526 HB THR 67 HB THR 67 4.048 11.034 -6.429 527 HG1 THR 67 1HG THR 67 3.796 13.322 -4.777 528 1HG2 THR 67 1HG2 THR 67 1.966 12.966 -7.011 529 2HG2 THR 67 2HG2 THR 67 3.175 12.242 -8.072 530 3HG2 THR 67 3HG2 THR 67 3.586 13.654 -7.098 531 H HIS 68 H HIS 68 -0.039 12.175 -5.422 532 HA HIS 68 HA HIS 68 -1.223 10.080 -6.952 533 1HB HIS 68 2HB HIS 68 -3.168 11.633 -7.103 534 2HB HIS 68 1HB HIS 68 -2.605 11.380 -5.455 535 HD1 HIS 68 1HD HIS 68 -0.142 13.493 -6.032 536 HD2 HIS 68 2HD HIS 68 -4.238 14.132 -6.304 537 HE1 HIS 68 1HE HIS 68 -0.453 15.975 -5.781 538 HE2 HIS 68 2HE HIS 68 -2.931 16.348 -6.044 539 H GLU 69 H GLU 69 -2.491 10.736 -9.020 540 HA GLU 69 HA GLU 69 -1.383 12.719 -10.718 541 1HB GLU 69 2HB GLU 69 -0.421 11.052 -12.389 542 2HB GLU 69 1HB GLU 69 0.538 11.377 -10.952 543 1HG GLU 69 2HG GLU 69 -0.015 9.307 -9.986 544 2HG GLU 69 1HG GLU 69 -1.326 9.033 -11.131 545 H THR 70 H THR 70 -3.766 12.918 -10.652 546 HA THR 70 HA THR 70 -4.994 12.318 -12.998 547 HB THR 70 HB THR 70 -4.884 9.982 -12.689 548 HG1 THR 70 1HG THR 70 -6.915 9.656 -13.068 549 1HG2 THR 70 1HG2 THR 70 -5.335 8.766 -10.769 550 2HG2 THR 70 2HG2 THR 70 -6.212 10.098 -10.014 551 3HG2 THR 70 3HG2 THR 70 -4.457 10.173 -10.170 552 H LYS 71 H LYS 71 -7.016 11.174 -10.495 553 HA LYS 71 HA LYS 71 -7.824 13.629 -9.346 554 1HB LYS 71 2HB LYS 71 -9.162 12.769 -11.853 555 2HB LYS 71 1HB LYS 71 -10.202 13.345 -10.557 556 1HG LYS 71 2HG LYS 71 -9.079 15.461 -10.512 557 2HG LYS 71 1HG LYS 71 -7.866 14.890 -11.659 558 1HD LYS 71 2HD LYS 71 -10.683 14.681 -12.520 559 2HD LYS 71 1HD LYS 71 -10.029 16.313 -12.377 560 1HE LYS 71 2HE LYS 71 -8.018 15.276 -13.709 561 2HE LYS 71 1HE LYS 71 -9.231 14.095 -14.202 562 1HZ LYS 71 1HZ LYS 71 -9.242 15.791 -15.817 563 2HZ LYS 71 2HZ LYS 71 -9.260 17.023 -14.658 564 3HZ LYS 71 3HZ LYS 71 -10.626 16.051 -14.880 565 H HIS 72 H HIS 72 -7.382 10.630 -8.981 566 HA HIS 72 HA HIS 72 -9.768 10.188 -7.321 567 1HB HIS 72 2HB HIS 72 -8.331 8.086 -8.956 568 2HB HIS 72 1HB HIS 72 -9.673 7.788 -7.857 569 HD1 HIS 72 1HD HIS 72 -11.711 9.813 -8.638 570 HD2 HIS 72 2HD HIS 72 -9.351 7.858 -11.445 571 HE1 HIS 72 1HE HIS 72 -12.976 9.970 -10.806 572 HE2 HIS 72 2HE HIS 72 -11.486 8.860 -12.507 573 H PHE 73 H PHE 73 -8.101 11.262 -5.849 574 HA PHE 73 HA PHE 73 -6.572 9.134 -4.517 575 1HB PHE 73 2HB PHE 73 -4.818 10.293 -5.529 576 2HB PHE 73 1HB PHE 73 -5.619 11.851 -5.361 577 HD1 PHE 73 1HD PHE 73 -4.100 13.166 -4.216 578 HD2 PHE 73 2HD PHE 73 -4.966 9.255 -2.777 579 HE1 PHE 73 1HE PHE 73 -2.785 13.626 -2.188 580 HE2 PHE 73 2HE PHE 73 -3.653 9.708 -0.745 581 HZ PHE 73 HZ PHE 73 -2.561 11.896 -0.449 582 H ILE 74 H ILE 74 -8.097 8.885 -2.907 583 HA ILE 74 HA ILE 74 -8.675 11.257 -1.268 584 HB ILE 74 HB ILE 74 -10.592 9.903 -2.281 585 1HG1 ILE 74 2HG1 ILE 74 -10.363 10.519 0.662 586 2HG1 ILE 74 1HG1 ILE 74 -11.057 11.524 -0.603 587 1HG2 ILE 74 1HG2 ILE 74 -10.073 7.675 -1.965 588 2HG2 ILE 74 2HG2 ILE 74 -11.214 7.971 -0.654 589 3HG2 ILE 74 3HG2 ILE 74 -9.482 7.937 -0.324 590 1HD1 ILE 74 1HD1 ILE 74 -12.602 9.268 -0.717 591 2HD1 ILE 74 2HD1 ILE 74 -13.016 10.765 0.116 592 3HD1 ILE 74 3HD1 ILE 74 -12.275 9.435 1.008 593 H TYR 75 H TYR 75 -7.701 11.419 0.628 594 HA TYR 75 HA TYR 75 -6.679 8.967 1.902 595 1HB TYR 75 2HB TYR 75 -4.982 10.672 1.047 596 2HB TYR 75 1HB TYR 75 -5.566 11.741 2.317 597 HD1 TYR 75 1HD TYR 75 -4.774 11.534 4.520 598 HD2 TYR 75 2HD TYR 75 -3.983 8.441 1.709 599 HE1 TYR 75 1HE TYR 75 -3.223 10.490 6.116 600 HE2 TYR 75 2HE TYR 75 -2.430 7.386 3.297 601 HH TYR 75 HH TYR 75 -2.221 8.354 6.584 602 H PHE 76 H PHE 76 -8.571 8.607 3.104 603 HA PHE 76 HA PHE 76 -9.161 10.659 5.135 604 1HB PHE 76 2HB PHE 76 -11.388 9.450 5.338 605 2HB PHE 76 1HB PHE 76 -11.119 10.344 3.847 606 HD1 PHE 76 1HD PHE 76 -12.161 7.288 5.224 607 HD2 PHE 76 2HD PHE 76 -10.129 8.939 1.869 608 HE1 PHE 76 1HE PHE 76 -12.655 5.257 3.929 609 HE2 PHE 76 2HE PHE 76 -10.619 6.909 0.569 610 HZ PHE 76 HZ PHE 76 -11.886 5.066 1.598 611 H TYR 77 H TYR 77 -10.095 9.715 7.196 612 HA TYR 77 HA TYR 77 -8.729 7.214 7.925 613 1HB TYR 77 2HB TYR 77 -7.320 8.858 8.863 614 2HB TYR 77 1HB TYR 77 -8.677 9.864 9.354 615 HD1 TYR 77 1HD TYR 77 -10.069 9.185 11.304 616 HD2 TYR 77 2HD TYR 77 -6.493 7.125 10.272 617 HE1 TYR 77 1HE TYR 77 -10.005 8.185 13.550 618 HE2 TYR 77 2HE TYR 77 -6.420 6.118 12.513 619 HH TYR 77 HH TYR 77 -8.981 6.735 14.891 620 H LEU 78 H LEU 78 -10.474 5.906 8.083 621 HA LEU 78 HA LEU 78 -13.035 6.570 8.892 622 1HB LEU 78 2HB LEU 78 -11.518 3.982 9.031 623 2HB LEU 78 1HB LEU 78 -13.194 4.099 9.530 624 HG LEU 78 HG LEU 78 -12.686 3.265 7.153 625 1HD1 LEU 78 1HD1 LEU 78 -14.575 5.331 6.615 626 2HD1 LEU 78 2HD1 LEU 78 -14.808 4.745 8.262 627 3HD1 LEU 78 3HD1 LEU 78 -14.856 3.615 6.910 628 1HD2 LEU 78 1HD2 LEU 78 -12.690 5.303 5.552 629 2HD2 LEU 78 2HD2 LEU 78 -11.165 4.763 6.256 630 3HD2 LEU 78 3HD2 LEU 78 -11.996 6.166 6.925 631 H GLY 79 H GLY 79 -14.120 5.557 10.898 632 1HA GLY 79 2HA GLY 79 -13.647 6.939 13.138 633 2HA GLY 79 1HA GLY 79 -14.244 5.288 13.202 634 H GLN 80 H GLN 80 -11.853 4.050 12.202 635 HA GLN 80 HA GLN 80 -9.743 4.785 14.053 636 1HB GLN 80 2HB GLN 80 -11.356 3.288 15.305 637 2HB GLN 80 1HB GLN 80 -10.917 2.007 14.184 638 1HG GLN 80 2HG GLN 80 -9.578 1.625 16.043 639 2HG GLN 80 1HG GLN 80 -8.509 2.441 14.904 640 1HE2 GLN 80 1HE2 GLN 80 -8.405 2.231 17.834 641 2HE2 GLN 80 2HE2 GLN 80 -8.361 3.857 18.416 642 H VAL 81 H VAL 81 -9.804 4.844 11.269 643 HA VAL 81 HA VAL 81 -7.558 3.144 10.672 644 HB VAL 81 HB VAL 81 -10.203 2.735 9.288 645 1HG1 VAL 81 1HG1 VAL 81 -7.434 2.218 8.288 646 2HG1 VAL 81 2HG1 VAL 81 -8.837 2.850 7.427 647 3HG1 VAL 81 3HG1 VAL 81 -8.751 1.136 7.834 648 1HG2 VAL 81 1HG2 VAL 81 -8.264 0.747 10.457 649 2HG2 VAL 81 2HG2 VAL 81 -9.888 0.424 9.851 650 3HG2 VAL 81 3HG2 VAL 81 -9.668 1.391 11.309 651 H ALA 82 H ALA 82 -6.746 3.562 8.415 652 HA ALA 82 HA ALA 82 -7.515 6.217 7.420 653 1HB ALA 82 1HB ALA 82 -5.378 6.088 8.945 654 2HB ALA 82 2HB ALA 82 -5.388 7.081 7.487 655 3HB ALA 82 3HB ALA 82 -4.624 5.492 7.467 656 H ILE 83 H ILE 83 -8.247 5.833 5.432 657 HA ILE 83 HA ILE 83 -6.976 3.745 3.821 658 HB ILE 83 HB ILE 83 -9.325 5.128 2.711 659 1HG1 ILE 83 2HG1 ILE 83 -9.808 5.031 5.186 660 2HG1 ILE 83 1HG1 ILE 83 -10.945 4.142 4.178 661 1HG2 ILE 83 1HG2 ILE 83 -9.545 2.285 3.015 662 2HG2 ILE 83 2HG2 ILE 83 -7.951 2.707 2.387 663 3HG2 ILE 83 3HG2 ILE 83 -9.402 3.245 1.541 664 1HD1 ILE 83 1HD1 ILE 83 -9.597 3.199 6.405 665 2HD1 ILE 83 2HD1 ILE 83 -8.764 2.460 5.037 666 3HD1 ILE 83 3HD1 ILE 83 -10.504 2.245 5.231 667 H LEU 84 H LEU 84 -5.489 4.290 2.414 668 HA LEU 84 HA LEU 84 -5.424 7.024 1.343 669 1HB LEU 84 2HB LEU 84 -3.337 6.640 2.248 670 2HB LEU 84 1HB LEU 84 -3.365 4.930 1.860 671 HG LEU 84 HG LEU 84 -3.212 5.820 -0.622 672 1HD1 LEU 84 1HD1 LEU 84 -2.475 8.149 1.061 673 2HD1 LEU 84 2HD1 LEU 84 -3.242 8.093 -0.526 674 3HD1 LEU 84 3HD1 LEU 84 -1.505 7.828 -0.377 675 1HD2 LEU 84 1HD2 LEU 84 -1.571 4.438 0.775 676 2HD2 LEU 84 2HD2 LEU 84 -0.736 5.964 1.068 677 3HD2 LEU 84 3HD2 LEU 84 -0.918 5.361 -0.579 678 H LEU 85 H LEU 85 -6.956 6.808 -0.292 679 HA LEU 85 HA LEU 85 -6.497 4.761 -2.330 680 1HB LEU 85 2HB LEU 85 -8.805 5.981 -1.217 681 2HB LEU 85 1HB LEU 85 -8.745 6.418 -2.915 682 HG LEU 85 HG LEU 85 -8.456 3.921 -3.385 683 1HD1 LEU 85 1HD1 LEU 85 -9.174 3.875 -0.473 684 2HD1 LEU 85 2HD1 LEU 85 -7.882 3.013 -1.308 685 3HD1 LEU 85 3HD1 LEU 85 -9.562 2.531 -1.547 686 1HD2 LEU 85 1HD2 LEU 85 -10.901 5.331 -2.467 687 2HD2 LEU 85 2HD2 LEU 85 -11.008 3.593 -2.741 688 3HD2 LEU 85 3HD2 LEU 85 -10.504 4.662 -4.050 689 H PHE 86 H PHE 86 -5.509 5.222 -4.173 690 HA PHE 86 HA PHE 86 -5.907 7.643 -5.600 691 1HB PHE 86 2HB PHE 86 -3.941 8.817 -5.291 692 2HB PHE 86 1HB PHE 86 -4.215 8.191 -3.670 693 HD1 PHE 86 1HD PHE 86 -1.799 8.704 -6.073 694 HD2 PHE 86 2HD PHE 86 -3.157 5.724 -3.355 695 HE1 PHE 86 1HE PHE 86 0.428 7.656 -6.113 696 HE2 PHE 86 2HE PHE 86 -0.934 4.673 -3.389 697 HZ PHE 86 HZ PHE 86 0.861 5.639 -4.768 698 H LYS 87 H LYS 87 -5.533 7.320 -7.707 699 HA LYS 87 HA LYS 87 -4.341 4.777 -8.504 700 1HB LYS 87 2HB LYS 87 -5.686 6.791 -10.301 701 2HB LYS 87 1HB LYS 87 -5.419 5.079 -10.604 702 1HG LYS 87 2HG LYS 87 -7.124 4.427 -9.174 703 2HG LYS 87 1HG LYS 87 -7.120 5.966 -8.311 704 1HD LYS 87 2HD LYS 87 -9.085 5.745 -9.761 705 2HD LYS 87 1HD LYS 87 -8.051 7.084 -10.262 706 1HE LYS 87 2HE LYS 87 -7.219 4.695 -11.594 707 2HE LYS 87 1HE LYS 87 -8.957 4.905 -11.809 708 1HZ LYS 87 1HZ LYS 87 -7.515 7.348 -12.162 709 2HZ LYS 87 2HZ LYS 87 -8.629 6.598 -13.189 710 3HZ LYS 87 3HZ LYS 87 -7.000 6.150 -13.240 711 H SER 88 H SER 88 -3.023 4.823 -10.578 712 HA SER 88 HA SER 88 -1.032 6.970 -10.355 713 1HB SER 88 2HB SER 88 -0.832 4.119 -10.626 714 2HB SER 88 1HB SER 88 -0.048 4.895 -12.001 715 HG SER 88 HG SER 88 1.198 6.100 -10.531 716 H GLY 89 H GLY 89 -3.610 6.860 -11.898 717 1HA GLY 89 2HA GLY 89 -4.374 7.770 -13.870 718 2HA GLY 89 1HA GLY 89 -2.726 8.302 -14.172 719 1H MET 1 1HT MET 1 26.475 -1.784 12.732 720 2H MET 1 2HT MET 1 28.070 -1.866 13.360 721 3H MET 1 3HT MET 1 27.261 -3.301 12.877 722 HA MET 1 HA MET 1 28.259 -1.107 11.196 723 1HB MET 1 2HB MET 1 29.186 -3.712 12.032 724 2HB MET 1 1HB MET 1 29.002 -3.663 10.284 725 1HG MET 1 2HG MET 1 31.246 -2.962 11.442 726 2HG MET 1 1HG MET 1 30.654 -2.124 10.009 727 1HE MET 1 1HE MET 1 29.571 1.295 11.198 728 2HE MET 1 2HE MET 1 28.814 -0.084 10.400 729 3HE MET 1 3HE MET 1 30.425 0.443 9.911 730 H CYS 2 H CYS 2 28.310 -2.822 8.918 731 HA CYS 2 HA CYS 2 26.176 -2.207 7.471 732 1HB CYS 2 2HB CYS 2 28.196 -3.843 6.976 733 2HB CYS 2 1HB CYS 2 26.980 -5.079 7.277 734 HG CYS 2 HG CYS 2 27.010 -3.146 4.871 735 H ASP 3 H ASP 3 24.129 -2.113 8.153 736 HA ASP 3 HA ASP 3 22.823 -4.621 8.900 737 1HB ASP 3 2HB ASP 3 21.513 -3.201 10.643 738 2HB ASP 3 1HB ASP 3 23.112 -3.809 11.064 739 H ARG 4 H ARG 4 22.110 -4.338 6.653 740 HA ARG 4 HA ARG 4 20.750 -2.319 5.497 741 1HB ARG 4 2HB ARG 4 19.457 -5.008 5.345 742 2HB ARG 4 1HB ARG 4 19.796 -3.858 4.059 743 1HG ARG 4 2HG ARG 4 22.046 -5.218 5.471 744 2HG ARG 4 1HG ARG 4 21.145 -6.066 4.213 745 1HD ARG 4 2HD ARG 4 21.660 -3.564 3.128 746 2HD ARG 4 1HD ARG 4 23.146 -3.983 3.980 747 HE ARG 4 HE ARG 4 22.206 -6.154 2.400 748 1HH1 ARG 4 1HH1 ARG 4 23.861 -3.095 2.217 749 2HH1 ARG 4 2HH1 ARG 4 24.733 -3.506 0.778 750 1HH2 ARG 4 1HH2 ARG 4 23.344 -6.702 0.501 751 2HH2 ARG 4 2HH2 ARG 4 24.439 -5.556 -0.199 752 H LYS 5 H LYS 5 19.685 -4.220 8.197 753 HA LYS 5 HA LYS 5 17.881 -4.094 9.577 754 1HB LYS 5 2HB LYS 5 18.390 -1.357 8.670 755 2HB LYS 5 1HB LYS 5 16.737 -1.622 9.210 756 1HG LYS 5 2HG LYS 5 18.395 -2.847 11.116 757 2HG LYS 5 1HG LYS 5 19.111 -1.274 10.760 758 1HD LYS 5 2HD LYS 5 17.573 -0.951 12.544 759 2HD LYS 5 1HD LYS 5 16.829 -0.274 11.094 760 1HE LYS 5 2HE LYS 5 15.195 -1.546 12.351 761 2HE LYS 5 1HE LYS 5 15.532 -2.343 10.815 762 1HZ LYS 5 1HZ LYS 5 17.325 -3.434 12.569 763 2HZ LYS 5 2HZ LYS 5 15.902 -4.161 12.011 764 3HZ LYS 5 3HZ LYS 5 15.899 -3.310 13.473 765 H ALA 6 H ALA 6 15.431 -2.912 9.432 766 HA ALA 6 HA ALA 6 13.336 -3.239 8.616 767 1HB ALA 6 1HB ALA 6 14.422 -3.319 5.836 768 2HB ALA 6 2HB ALA 6 14.492 -1.826 6.774 769 3HB ALA 6 3HB ALA 6 12.935 -2.585 6.440 770 H VAL 7 H VAL 7 12.102 -4.629 6.820 771 HA VAL 7 HA VAL 7 13.289 -7.271 6.534 772 HB VAL 7 HB VAL 7 10.722 -6.803 8.058 773 1HG1 VAL 7 1HG1 VAL 7 11.861 -9.520 7.682 774 2HG1 VAL 7 2HG1 VAL 7 10.979 -8.799 6.335 775 3HG1 VAL 7 3HG1 VAL 7 10.185 -9.013 7.894 776 1HG2 VAL 7 1HG2 VAL 7 12.255 -8.426 9.592 777 2HG2 VAL 7 2HG2 VAL 7 12.197 -6.671 9.751 778 3HG2 VAL 7 3HG2 VAL 7 13.489 -7.430 8.822 779 H ILE 8 H ILE 8 13.152 -6.398 4.306 780 HA ILE 8 HA ILE 8 10.929 -5.659 2.926 781 HB ILE 8 HB ILE 8 13.375 -7.165 2.147 782 1HG1 ILE 8 2HG1 ILE 8 13.142 -5.243 0.332 783 2HG1 ILE 8 1HG1 ILE 8 12.047 -4.567 1.533 784 1HG2 ILE 8 1HG2 ILE 8 11.391 -6.721 -0.021 785 2HG2 ILE 8 2HG2 ILE 8 11.221 -8.156 0.989 786 3HG2 ILE 8 3HG2 ILE 8 12.712 -7.886 0.085 787 1HD1 ILE 8 1HD1 ILE 8 13.825 -4.599 3.188 788 2HD1 ILE 8 2HD1 ILE 8 14.302 -3.681 1.758 789 3HD1 ILE 8 3HD1 ILE 8 14.923 -5.314 2.007 790 H LYS 9 H LYS 9 9.389 -6.765 1.638 791 HA LYS 9 HA LYS 9 8.900 -9.567 2.368 792 1HB LYS 9 2HB LYS 9 6.717 -7.482 2.301 793 2HB LYS 9 1HB LYS 9 6.570 -9.165 2.794 794 1HG LYS 9 2HG LYS 9 6.611 -8.007 4.803 795 2HG LYS 9 1HG LYS 9 8.274 -8.569 4.618 796 1HD LYS 9 2HD LYS 9 9.087 -6.478 4.295 797 2HD LYS 9 1HD LYS 9 7.633 -5.925 3.463 798 1HE LYS 9 2HE LYS 9 8.131 -6.167 6.413 799 2HE LYS 9 1HE LYS 9 7.670 -4.737 5.491 800 1HZ LYS 9 1HZ LYS 9 5.781 -5.538 6.690 801 2HZ LYS 9 2HZ LYS 9 5.969 -7.099 6.069 802 3HZ LYS 9 3HZ LYS 9 5.519 -5.832 5.044 803 H ASN 10 H ASN 10 8.773 -6.978 0.131 804 HA ASN 10 HA ASN 10 8.193 -8.854 -2.029 805 1HB ASN 10 2HB ASN 10 6.155 -7.270 -1.086 806 2HB ASN 10 1HB ASN 10 6.814 -6.284 -2.388 807 1HD2 ASN 10 1HD2 ASN 10 4.295 -7.913 -1.998 808 2HD2 ASN 10 2HD2 ASN 10 4.191 -8.868 -3.434 809 H ALA 11 H ALA 11 7.859 -5.532 -2.724 810 HA ALA 11 HA ALA 11 9.253 -3.942 -3.596 811 1HB ALA 11 1HB ALA 11 11.082 -3.883 -2.344 812 2HB ALA 11 2HB ALA 11 11.831 -4.950 -3.530 813 3HB ALA 11 3HB ALA 11 11.059 -5.628 -2.097 814 H ASP 12 H ASP 12 9.528 -3.531 -5.673 815 HA ASP 12 HA ASP 12 10.392 -5.701 -7.451 816 1HB ASP 12 2HB ASP 12 7.865 -4.700 -7.448 817 2HB ASP 12 1HB ASP 12 8.637 -3.632 -8.615 818 H MET 13 H MET 13 12.026 -3.746 -6.197 819 HA MET 13 HA MET 13 12.886 -2.164 -8.530 820 1HB MET 13 2HB MET 13 12.171 -0.575 -6.950 821 2HB MET 13 1HB MET 13 12.838 -1.486 -5.602 822 1HG MET 13 2HG MET 13 14.986 -0.760 -5.996 823 2HG MET 13 1HG MET 13 14.663 -0.382 -7.687 824 1HE MET 13 1HE MET 13 13.094 2.147 -4.165 825 2HE MET 13 2HE MET 13 14.304 0.885 -3.935 826 3HE MET 13 3HE MET 13 12.677 0.460 -4.465 827 H SER 14 H SER 14 15.197 -1.770 -8.685 828 HA SER 14 HA SER 14 16.802 -3.932 -8.734 829 1HB SER 14 2HB SER 14 17.198 -1.156 -8.968 830 2HB SER 14 1HB SER 14 18.408 -1.713 -7.811 831 HG SER 14 HG SER 14 18.966 -3.335 -9.394 832 H GLU 15 H GLU 15 18.574 -4.697 -7.383 833 HA GLU 15 HA GLU 15 17.740 -5.190 -4.723 834 1HB GLU 15 2HB GLU 15 19.999 -5.960 -6.443 835 2HB GLU 15 1HB GLU 15 20.376 -5.906 -4.726 836 1HG GLU 15 2HG GLU 15 18.594 -7.459 -4.245 837 2HG GLU 15 1HG GLU 15 18.094 -7.451 -5.935 838 H GLU 16 H GLU 16 20.585 -3.413 -5.942 839 HA GLU 16 HA GLU 16 21.462 -2.428 -3.496 840 1HB GLU 16 2HB GLU 16 22.328 -0.471 -5.031 841 2HB GLU 16 1HB GLU 16 23.011 -2.085 -5.162 842 1HG GLU 16 2HG GLU 16 20.918 -2.186 -6.922 843 2HG GLU 16 1HG GLU 16 21.490 -0.527 -7.096 844 H MET 17 H MET 17 18.786 -1.467 -5.457 845 HA MET 17 HA MET 17 18.460 1.128 -4.262 846 1HB MET 17 2HB MET 17 16.657 -0.551 -6.007 847 2HB MET 17 1HB MET 17 16.226 1.052 -5.429 848 1HG MET 17 2HG MET 17 18.789 1.247 -6.591 849 2HG MET 17 1HG MET 17 17.779 0.319 -7.697 850 1HE MET 17 1HE MET 17 17.509 3.207 -5.220 851 2HE MET 17 2HE MET 17 15.774 2.995 -5.457 852 3HE MET 17 3HE MET 17 16.577 4.443 -6.065 853 H GLN 18 H GLN 18 16.929 -2.054 -3.901 854 HA GLN 18 HA GLN 18 14.951 -1.298 -2.066 855 1HB GLN 18 2HB GLN 18 15.543 -3.881 -1.346 856 2HB GLN 18 1HB GLN 18 14.426 -3.407 -2.617 857 1HG GLN 18 2HG GLN 18 16.838 -3.362 -3.906 858 2HG GLN 18 1HG GLN 18 17.021 -4.716 -2.790 859 1HE2 GLN 18 1HE2 GLN 18 13.852 -3.913 -3.802 860 2HE2 GLN 18 2HE2 GLN 18 13.633 -5.213 -4.918 861 H GLN 19 H GLN 19 18.314 -2.236 -1.609 862 HA GLN 19 HA GLN 19 18.145 -2.303 1.247 863 1HB GLN 19 2HB GLN 19 20.298 -2.545 -0.787 864 2HB GLN 19 1HB GLN 19 20.781 -2.031 0.824 865 1HG GLN 19 2HG GLN 19 20.912 -4.200 1.290 866 2HG GLN 19 1HG GLN 19 19.150 -4.160 1.358 867 1HE2 GLN 19 1HE2 GLN 19 18.048 -4.506 -0.762 868 2HE2 GLN 19 2HE2 GLN 19 18.714 -5.705 -1.814 869 H ASP 20 H ASP 20 19.231 0.000 -1.186 870 HA ASP 20 HA ASP 20 20.159 1.957 0.621 871 1HB ASP 20 2HB ASP 20 20.073 1.664 -2.160 872 2HB ASP 20 1HB ASP 20 19.098 3.093 -1.832 873 H SER 21 H SER 21 17.032 1.149 -0.673 874 HA SER 21 HA SER 21 15.667 3.515 0.065 875 1HB SER 21 2HB SER 21 13.813 2.477 -0.757 876 2HB SER 21 1HB SER 21 14.987 1.321 -1.387 877 HG SER 21 HG SER 21 14.660 0.239 0.744 878 H VAL 22 H VAL 22 16.015 0.352 1.642 879 HA VAL 22 HA VAL 22 14.515 0.828 3.921 880 HB VAL 22 HB VAL 22 17.063 -0.778 3.688 881 1HG1 VAL 22 1HG1 VAL 22 15.118 -0.384 5.906 882 2HG1 VAL 22 2HG1 VAL 22 16.870 -0.576 5.961 883 3HG1 VAL 22 3HG1 VAL 22 15.838 -1.979 5.684 884 1HG2 VAL 22 1HG2 VAL 22 15.863 -2.413 2.754 885 2HG2 VAL 22 2HG2 VAL 22 14.605 -1.204 2.491 886 3HG2 VAL 22 3HG2 VAL 22 14.558 -2.228 3.926 887 H GLU 23 H GLU 23 17.957 1.521 3.334 888 HA GLU 23 HA GLU 23 18.515 2.555 5.893 889 1HB GLU 23 2HB GLU 23 19.798 3.136 3.215 890 2HB GLU 23 1HB GLU 23 20.443 3.688 4.755 891 1HG GLU 23 2HG GLU 23 19.921 0.844 4.773 892 2HG GLU 23 1HG GLU 23 21.014 1.307 3.469 893 H CYS 24 H CYS 24 17.190 4.024 2.986 894 HA CYS 24 HA CYS 24 17.323 6.710 3.942 895 1HB CYS 24 2HB CYS 24 16.279 5.319 1.594 896 2HB CYS 24 1HB CYS 24 15.230 6.631 2.115 897 HG CYS 24 HG CYS 24 16.887 8.290 1.346 898 H ALA 25 H ALA 25 15.058 4.075 4.199 899 HA ALA 25 HA ALA 25 12.889 5.608 5.266 900 1HB ALA 25 1HB ALA 25 13.450 2.646 5.508 901 2HB ALA 25 2HB ALA 25 12.560 3.403 4.187 902 3HB ALA 25 3HB ALA 25 11.910 3.446 5.825 903 H THR 26 H THR 26 15.544 3.715 6.466 904 HA THR 26 HA THR 26 14.966 3.851 9.217 905 HB THR 26 HB THR 26 17.576 3.498 7.738 906 HG1 THR 26 1HG THR 26 15.484 1.856 8.268 907 1HG2 THR 26 1HG2 THR 26 16.953 3.431 10.624 908 2HG2 THR 26 2HG2 THR 26 18.428 3.913 9.784 909 3HG2 THR 26 3HG2 THR 26 18.042 2.202 9.981 910 H GLN 27 H GLN 27 16.903 5.835 7.030 911 HA GLN 27 HA GLN 27 18.059 7.567 8.865 912 1HB GLN 27 2HB GLN 27 17.183 7.965 6.011 913 2HB GLN 27 1HB GLN 27 17.974 9.241 6.924 914 1HG GLN 27 2HG GLN 27 19.953 7.931 7.176 915 2HG GLN 27 1HG GLN 27 19.162 6.513 6.487 916 1HE2 GLN 27 1HE2 GLN 27 18.169 9.291 4.931 917 2HE2 GLN 27 2HE2 GLN 27 19.226 9.226 3.566 918 H ALA 28 H ALA 28 14.953 7.768 7.191 919 HA ALA 28 HA ALA 28 14.111 10.217 8.316 920 1HB ALA 28 1HB ALA 28 13.112 9.070 6.312 921 2HB ALA 28 2HB ALA 28 11.943 9.689 7.479 922 3HB ALA 28 3HB ALA 28 12.313 7.966 7.431 923 H LEU 29 H LEU 29 13.982 6.906 9.406 924 HA LEU 29 HA LEU 29 12.128 7.268 11.513 925 1HB LEU 29 2HB LEU 29 14.214 5.189 10.936 926 2HB LEU 29 1HB LEU 29 13.231 5.133 12.388 927 HG LEU 29 HG LEU 29 11.582 5.471 10.035 928 1HD1 LEU 29 1HD1 LEU 29 12.029 3.533 8.840 929 2HD1 LEU 29 2HD1 LEU 29 13.039 2.860 10.119 930 3HD1 LEU 29 3HD1 LEU 29 13.630 4.206 9.144 931 1HD2 LEU 29 1HD2 LEU 29 11.460 4.319 12.563 932 2HD2 LEU 29 2HD2 LEU 29 11.338 2.967 11.439 933 3HD2 LEU 29 3HD2 LEU 29 10.201 4.310 11.327 934 H GLU 30 H GLU 30 15.682 7.069 11.490 935 HA GLU 30 HA GLU 30 16.067 7.488 14.227 936 1HB GLU 30 2HB GLU 30 17.700 7.349 11.857 937 2HB GLU 30 1HB GLU 30 18.257 8.655 12.895 938 1HG GLU 30 2HG GLU 30 17.942 6.709 14.722 939 2HG GLU 30 1HG GLU 30 18.334 5.741 13.301 940 H LYS 31 H LYS 31 15.546 9.747 11.600 941 HA LYS 31 HA LYS 31 16.169 12.053 13.226 942 1HB LYS 31 2HB LYS 31 15.279 11.610 10.412 943 2HB LYS 31 1HB LYS 31 15.046 13.198 11.132 944 1HG LYS 31 2HG LYS 31 17.272 13.649 11.202 945 2HG LYS 31 1HG LYS 31 17.723 11.953 11.391 946 1HD LYS 31 2HD LYS 31 17.916 11.644 9.183 947 2HD LYS 31 1HD LYS 31 16.430 12.532 8.842 948 1HE LYS 31 2HE LYS 31 17.708 14.649 9.225 949 2HE LYS 31 1HE LYS 31 19.175 13.676 9.331 950 1HZ LYS 31 1HZ LYS 31 17.373 13.890 6.981 951 2HZ LYS 31 2HZ LYS 31 18.716 12.868 7.074 952 3HZ LYS 31 3HZ LYS 31 18.927 14.545 7.118 953 H TYR 32 H TYR 32 13.321 10.329 12.124 954 HA TYR 32 HA TYR 32 11.728 11.760 14.095 955 1HB TYR 32 2HB TYR 32 10.199 11.461 11.642 956 2HB TYR 32 1HB TYR 32 10.399 12.874 12.672 957 HD1 TYR 32 1HD TYR 32 11.602 11.125 9.698 958 HD2 TYR 32 2HD TYR 32 12.151 14.505 12.220 959 HE1 TYR 32 1HE TYR 32 12.996 12.181 7.968 960 HE2 TYR 32 2HE TYR 32 13.546 15.573 10.498 961 HH TYR 32 HH TYR 32 14.729 15.166 8.573 962 H ASN 33 H ASN 33 9.844 10.645 14.744 963 HA ASN 33 HA ASN 33 9.803 7.812 13.928 964 1HB ASN 33 2HB ASN 33 10.188 8.904 16.469 965 2HB ASN 33 1HB ASN 33 8.517 8.351 16.476 966 1HD2 ASN 33 1HD2 ASN 33 8.708 6.158 14.812 967 2HD2 ASN 33 2HD2 ASN 33 9.678 4.950 15.577 968 H ILE 34 H ILE 34 8.346 9.969 12.646 969 HA ILE 34 HA ILE 34 5.581 9.196 13.313 970 HB ILE 34 HB ILE 34 6.156 11.631 11.693 971 1HG1 ILE 34 2HG1 ILE 34 7.669 11.960 13.525 972 2HG1 ILE 34 1HG1 ILE 34 6.248 12.959 13.816 973 1HG2 ILE 34 1HG2 ILE 34 4.088 11.201 13.826 974 2HG2 ILE 34 2HG2 ILE 34 3.854 10.678 12.158 975 3HG2 ILE 34 3HG2 ILE 34 4.087 12.387 12.520 976 1HD1 ILE 34 1HD1 ILE 34 7.380 11.353 15.650 977 2HD1 ILE 34 2HD1 ILE 34 6.151 10.274 14.987 978 3HD1 ILE 34 3HD1 ILE 34 5.684 11.834 15.665 979 H GLU 35 H GLU 35 4.885 7.702 11.933 980 HA GLU 35 HA GLU 35 5.812 6.699 9.682 981 1HB GLU 35 2HB GLU 35 2.906 7.486 9.924 982 2HB GLU 35 1HB GLU 35 3.563 6.184 8.941 983 1HG GLU 35 2HG GLU 35 3.125 4.841 10.647 984 2HG GLU 35 1HG GLU 35 4.483 5.602 11.472 985 H LYS 36 H LYS 36 3.367 9.267 9.308 986 HA LYS 36 HA LYS 36 3.764 9.837 6.670 987 1HB LYS 36 2HB LYS 36 3.399 12.241 8.336 988 2HB LYS 36 1HB LYS 36 2.418 11.627 7.012 989 1HG LYS 36 2HG LYS 36 1.089 10.390 8.383 990 2HG LYS 36 1HG LYS 36 2.365 10.136 9.576 991 1HD LYS 36 2HD LYS 36 1.418 12.916 9.205 992 2HD LYS 36 1HD LYS 36 0.296 11.792 9.973 993 1HE LYS 36 2HE LYS 36 1.373 12.152 11.885 994 2HE LYS 36 1HE LYS 36 2.752 11.301 11.191 995 1HZ LYS 36 1HZ LYS 36 3.899 13.183 11.051 996 2HZ LYS 36 2HZ LYS 36 2.709 13.902 12.014 997 3HZ LYS 36 3HZ LYS 36 2.618 14.022 10.330 998 H ASP 37 H ASP 37 5.496 11.294 9.411 999 HA ASP 37 HA ASP 37 7.125 13.036 7.973 1000 1HB ASP 37 2HB ASP 37 7.011 11.980 10.663 1001 2HB ASP 37 1HB ASP 37 8.681 12.105 10.120 1002 H ILE 38 H ILE 38 8.066 9.847 9.265 1003 HA ILE 38 HA ILE 38 10.515 9.554 8.095 1004 HB ILE 38 HB ILE 38 8.528 7.291 8.210 1005 1HG1 ILE 38 2HG1 ILE 38 10.301 7.819 10.529 1006 2HG1 ILE 38 1HG1 ILE 38 8.938 8.915 10.325 1007 1HG2 ILE 38 1HG2 ILE 38 10.309 5.872 8.179 1008 2HG2 ILE 38 2HG2 ILE 38 11.394 7.036 8.942 1009 3HG2 ILE 38 3HG2 ILE 38 10.982 7.200 7.234 1010 1HD1 ILE 38 1HD1 ILE 38 8.764 6.694 11.740 1011 2HD1 ILE 38 2HD1 ILE 38 8.398 6.008 10.157 1012 3HD1 ILE 38 3HD1 ILE 38 7.404 7.313 10.803 1013 H ALA 39 H ALA 39 7.366 8.816 6.631 1014 HA ALA 39 HA ALA 39 8.308 7.791 4.203 1015 1HB ALA 39 1HB ALA 39 6.112 7.406 4.135 1016 2HB ALA 39 2HB ALA 39 5.940 9.063 3.556 1017 3HB ALA 39 3HB ALA 39 5.770 8.707 5.275 1018 H ALA 40 H ALA 40 7.192 11.099 4.946 1019 HA ALA 40 HA ALA 40 7.722 12.300 2.521 1020 1HB ALA 40 1HB ALA 40 8.345 13.780 5.039 1021 2HB ALA 40 2HB ALA 40 6.694 13.239 4.737 1022 3HB ALA 40 3HB ALA 40 7.489 14.326 3.597 1023 H HIS 41 H HIS 41 9.913 11.802 5.256 1024 HA HIS 41 HA HIS 41 12.150 13.127 4.234 1025 1HB HIS 41 2HB HIS 41 12.277 12.570 6.501 1026 2HB HIS 41 1HB HIS 41 11.775 10.907 6.221 1027 HD1 HIS 41 1HD HIS 41 14.622 12.650 7.234 1028 HD2 HIS 41 2HD HIS 41 13.983 9.617 4.468 1029 HE1 HIS 41 1HE HIS 41 16.865 11.562 6.901 1030 HE2 HIS 41 2HE HIS 41 16.476 9.805 5.137 1031 H ILE 42 H ILE 42 11.289 9.676 4.057 1032 HA ILE 42 HA ILE 42 13.496 8.844 2.544 1033 HB ILE 42 HB ILE 42 10.720 7.656 2.467 1034 1HG1 ILE 42 2HG1 ILE 42 12.955 6.720 4.248 1035 2HG1 ILE 42 1HG1 ILE 42 11.860 7.996 4.772 1036 1HG2 ILE 42 1HG2 ILE 42 12.932 5.812 2.288 1037 2HG2 ILE 42 2HG2 ILE 42 12.999 7.023 1.008 1038 3HG2 ILE 42 3HG2 ILE 42 11.557 6.029 1.207 1039 1HD1 ILE 42 1HD1 ILE 42 11.219 5.136 4.144 1040 2HD1 ILE 42 2HD1 ILE 42 9.974 6.378 4.264 1041 3HD1 ILE 42 3HD1 ILE 42 10.989 6.010 5.658 1042 H LYS 43 H LYS 43 10.173 9.070 1.300 1043 HA LYS 43 HA LYS 43 10.552 8.884 -1.342 1044 1HB LYS 43 2HB LYS 43 8.417 9.469 0.026 1045 2HB LYS 43 1HB LYS 43 8.834 11.136 -0.350 1046 1HG LYS 43 2HG LYS 43 8.996 9.742 -2.774 1047 2HG LYS 43 1HG LYS 43 7.525 9.176 -1.977 1048 1HD LYS 43 2HD LYS 43 6.950 11.075 -3.308 1049 2HD LYS 43 1HD LYS 43 6.898 11.570 -1.615 1050 1HE LYS 43 2HE LYS 43 9.350 12.307 -2.018 1051 2HE LYS 43 1HE LYS 43 8.914 12.239 -3.725 1052 1HZ LYS 43 1HZ LYS 43 7.233 13.860 -3.393 1053 2HZ LYS 43 2HZ LYS 43 8.638 14.457 -2.667 1054 3HZ LYS 43 3HZ LYS 43 7.403 13.806 -1.710 1055 H LYS 44 H LYS 44 10.732 12.021 0.354 1056 HA LYS 44 HA LYS 44 11.566 13.559 -1.795 1057 1HB LYS 44 2HB LYS 44 10.863 14.577 0.286 1058 2HB LYS 44 1HB LYS 44 12.227 13.864 1.136 1059 1HG LYS 44 2HG LYS 44 12.867 16.071 0.799 1060 2HG LYS 44 1HG LYS 44 13.692 15.192 -0.490 1061 1HD LYS 44 2HD LYS 44 12.454 16.156 -2.122 1062 2HD LYS 44 1HD LYS 44 10.995 16.205 -1.130 1063 1HE LYS 44 2HE LYS 44 12.948 17.951 0.002 1064 2HE LYS 44 1HE LYS 44 12.789 18.311 -1.716 1065 1HZ LYS 44 1HZ LYS 44 11.193 19.331 0.132 1066 2HZ LYS 44 2HZ LYS 44 10.310 17.939 -0.242 1067 3HZ LYS 44 3HZ LYS 44 10.691 19.050 -1.459 1068 H GLU 45 H GLU 45 13.521 11.749 0.537 1069 HA GLU 45 HA GLU 45 16.030 12.569 -0.443 1070 1HB GLU 45 2HB GLU 45 15.103 10.938 1.627 1071 2HB GLU 45 1HB GLU 45 16.059 9.866 0.613 1072 1HG GLU 45 2HG GLU 45 17.221 12.500 1.320 1073 2HG GLU 45 1HG GLU 45 17.121 11.274 2.583 1074 H PHE 46 H PHE 46 13.831 10.021 -1.401 1075 HA PHE 46 HA PHE 46 15.694 8.701 -3.124 1076 1HB PHE 46 2HB PHE 46 12.903 8.369 -2.324 1077 2HB PHE 46 1HB PHE 46 13.173 8.003 -4.026 1078 HD1 PHE 46 1HD PHE 46 13.687 6.936 -0.614 1079 HD2 PHE 46 2HD PHE 46 14.783 6.244 -4.666 1080 HE1 PHE 46 1HE PHE 46 14.568 4.725 0.006 1081 HE2 PHE 46 2HE PHE 46 15.664 4.030 -4.055 1082 HZ PHE 46 HZ PHE 46 15.558 3.270 -1.714 1083 H ASP 47 H ASP 47 13.239 11.176 -3.491 1084 HA ASP 47 HA ASP 47 13.247 11.242 -6.327 1085 1HB ASP 47 2HB ASP 47 11.352 12.193 -5.323 1086 2HB ASP 47 1HB ASP 47 12.310 13.124 -4.178 1087 H LYS 48 H LYS 48 15.120 12.886 -3.844 1088 HA LYS 48 HA LYS 48 16.458 14.540 -5.825 1089 1HB LYS 48 2HB LYS 48 16.337 14.451 -2.854 1090 2HB LYS 48 1HB LYS 48 17.778 15.141 -3.590 1091 1HG LYS 48 2HG LYS 48 15.025 16.048 -4.355 1092 2HG LYS 48 1HG LYS 48 15.891 16.732 -2.978 1093 1HD LYS 48 2HD LYS 48 16.827 16.699 -5.847 1094 2HD LYS 48 1HD LYS 48 16.226 18.102 -4.959 1095 1HE LYS 48 2HE LYS 48 18.097 17.881 -3.379 1096 2HE LYS 48 1HE LYS 48 18.705 16.510 -4.305 1097 1HZ LYS 48 1HZ LYS 48 19.016 19.303 -4.794 1098 2HZ LYS 48 2HZ LYS 48 18.391 18.507 -6.148 1099 3HZ LYS 48 3HZ LYS 48 19.852 17.995 -5.466 1100 H LYS 49 H LYS 49 17.188 11.842 -3.672 1101 HA LYS 49 HA LYS 49 19.974 11.803 -4.342 1102 1HB LYS 49 2HB LYS 49 18.708 10.910 -2.212 1103 2HB LYS 49 1HB LYS 49 18.586 9.436 -3.165 1104 1HG LYS 49 2HG LYS 49 21.231 10.118 -3.436 1105 2HG LYS 49 1HG LYS 49 20.866 10.582 -1.773 1106 1HD LYS 49 2HD LYS 49 20.265 8.407 -1.173 1107 2HD LYS 49 1HD LYS 49 20.041 7.907 -2.851 1108 1HE LYS 49 2HE LYS 49 22.069 6.929 -2.007 1109 2HE LYS 49 1HE LYS 49 22.478 8.159 -3.202 1110 1HZ LYS 49 1HZ LYS 49 23.856 8.914 -1.637 1111 2HZ LYS 49 2HZ LYS 49 23.096 8.053 -0.395 1112 3HZ LYS 49 3HZ LYS 49 22.478 9.549 -0.886 1113 H TYR 50 H TYR 50 17.117 10.435 -5.725 1114 HA TYR 50 HA TYR 50 18.814 8.796 -7.492 1115 1HB TYR 50 2HB TYR 50 15.965 8.251 -6.643 1116 2HB TYR 50 1HB TYR 50 16.899 7.273 -7.770 1117 HD1 TYR 50 1HD TYR 50 16.595 8.322 -4.247 1118 HD2 TYR 50 2HD TYR 50 18.516 5.696 -6.988 1119 HE1 TYR 50 1HE TYR 50 17.463 7.002 -2.363 1120 HE2 TYR 50 2HE TYR 50 19.389 4.367 -5.111 1121 HH TYR 50 HH TYR 50 19.186 5.448 -1.842 1122 H ASN 51 H ASN 51 15.432 9.926 -7.601 1123 HA ASN 51 HA ASN 51 15.442 11.901 -9.403 1124 1HB ASN 51 2HB ASN 51 16.745 9.911 -10.726 1125 2HB ASN 51 1HB ASN 51 15.090 9.610 -11.241 1126 1HD2 ASN 51 1HD2 ASN 51 17.643 10.785 -12.475 1127 2HD2 ASN 51 2HD2 ASN 51 17.075 12.204 -13.280 1128 HA PRO 52 HA PRO 52 11.229 11.065 -8.168 1129 1HB PRO 52 2HB PRO 52 10.172 13.074 -9.784 1130 2HB PRO 52 1HB PRO 52 10.709 13.264 -8.114 1131 1HG PRO 52 2HG PRO 52 12.151 13.887 -10.653 1132 2HG PRO 52 1HG PRO 52 12.141 14.777 -9.119 1133 1HD PRO 52 2HD PRO 52 14.219 13.248 -9.804 1134 2HD PRO 52 1HD PRO 52 13.652 13.314 -8.121 1135 H THR 53 H THR 53 9.176 9.841 -10.835 1136 HA THR 53 HA THR 53 9.340 11.395 -8.353 1137 HB THR 53 HB THR 53 7.009 10.547 -10.066 1138 HG1 THR 53 1HG THR 53 8.433 12.675 -10.062 1139 1HG2 THR 53 1HG2 THR 53 5.589 10.612 -8.383 1140 2HG2 THR 53 2HG2 THR 53 6.152 12.225 -7.947 1141 3HG2 THR 53 3HG2 THR 53 6.932 10.801 -7.257 1142 H TRP 54 H TRP 54 9.207 10.436 -6.432 1143 HA TRP 54 HA TRP 54 8.801 7.533 -6.415 1144 1HB TRP 54 2HB TRP 54 10.210 9.321 -4.428 1145 2HB TRP 54 1HB TRP 54 10.025 7.577 -4.263 1146 HD1 TRP 54 HD TRP 54 11.686 10.132 -6.649 1147 HE1 TRP 54 1HE TRP 54 13.748 9.011 -7.697 1148 HE3 TRP 54 3HE TRP 54 11.154 5.447 -4.677 1149 HZ2 TRP 54 2HZ TRP 54 14.995 6.475 -7.684 1150 HZ3 TRP 54 3HZ TRP 54 12.822 3.730 -5.245 1151 HH2 TRP 54 HH TRP 54 14.703 4.236 -6.719 1152 H HIS 55 H HIS 55 7.362 6.566 -5.143 1153 HA HIS 55 HA HIS 55 5.713 8.203 -3.344 1154 1HB HIS 55 2HB HIS 55 4.483 5.960 -4.914 1155 2HB HIS 55 1HB HIS 55 3.706 7.358 -4.180 1156 HD1 HIS 55 1HD HIS 55 2.663 8.570 -6.072 1157 HD2 HIS 55 2HD HIS 55 6.541 7.363 -6.946 1158 HE1 HIS 55 1HE HIS 55 3.182 9.558 -8.325 1159 HE2 HIS 55 2HE HIS 55 5.566 8.891 -8.793 1160 H CYS 56 H CYS 56 6.572 7.443 -1.472 1161 HA CYS 56 HA CYS 56 6.539 4.521 -1.101 1162 1HB CYS 56 2HB CYS 56 8.258 5.434 0.818 1163 2HB CYS 56 1HB CYS 56 8.740 4.799 -0.752 1164 HG CYS 56 HG CYS 56 8.275 7.802 -0.797 1165 H ILE 57 H ILE 57 6.281 3.773 1.090 1166 HA ILE 57 HA ILE 57 4.630 5.550 2.764 1167 HB ILE 57 HB ILE 57 4.118 2.595 2.467 1168 1HG1 ILE 57 2HG1 ILE 57 3.748 3.704 0.299 1169 2HG1 ILE 57 1HG1 ILE 57 2.233 3.159 1.012 1170 1HG2 ILE 57 1HG2 ILE 57 3.264 4.480 4.331 1171 2HG2 ILE 57 2HG2 ILE 57 2.609 2.863 4.076 1172 3HG2 ILE 57 3HG2 ILE 57 1.889 4.247 3.253 1173 1HD1 ILE 57 1HD1 ILE 57 2.974 5.909 1.682 1174 2HD1 ILE 57 2HD1 ILE 57 1.425 5.234 1.172 1175 3HD1 ILE 57 3HD1 ILE 57 2.660 5.617 -0.028 1176 H VAL 58 H VAL 58 4.525 4.825 5.055 1177 HA VAL 58 HA VAL 58 6.503 2.961 5.983 1178 HB VAL 58 HB VAL 58 7.999 4.801 5.612 1179 1HG1 VAL 58 1HG1 VAL 58 7.415 6.877 7.209 1180 2HG1 VAL 58 2HG1 VAL 58 5.785 6.358 6.779 1181 3HG1 VAL 58 3HG1 VAL 58 6.935 6.789 5.514 1182 1HG2 VAL 58 1HG2 VAL 58 8.595 5.333 8.068 1183 2HG2 VAL 58 2HG2 VAL 58 8.650 3.656 7.527 1184 3HG2 VAL 58 3HG2 VAL 58 7.273 4.234 8.462 1185 H GLY 59 H GLY 59 5.094 1.924 7.276 1186 1HA GLY 59 2HA GLY 59 3.958 3.483 9.498 1187 2HA GLY 59 1HA GLY 59 2.928 2.386 8.588 1188 H ARG 60 H ARG 60 2.575 0.570 9.674 1189 HA ARG 60 HA ARG 60 4.633 -1.149 10.503 1190 1HB ARG 60 2HB ARG 60 4.087 -1.036 12.968 1191 2HB ARG 60 1HB ARG 60 5.020 0.305 12.316 1192 1HG ARG 60 2HG ARG 60 2.822 1.541 12.098 1193 2HG ARG 60 1HG ARG 60 2.125 0.262 13.094 1194 1HD ARG 60 2HD ARG 60 4.480 1.976 13.878 1195 2HD ARG 60 1HD ARG 60 2.816 2.251 14.396 1196 HE ARG 60 HE ARG 60 4.649 0.378 15.492 1197 1HH1 ARG 60 1HH1 ARG 60 1.283 0.854 14.751 1198 2HH1 ARG 60 2HH1 ARG 60 0.721 -0.214 15.991 1199 1HH2 ARG 60 1HH2 ARG 60 3.920 -1.036 17.138 1200 2HH2 ARG 60 2HH2 ARG 60 2.220 -1.287 17.351 1201 H ASN 61 H ASN 61 1.287 -0.159 11.191 1202 HA ASN 61 HA ASN 61 0.475 -2.952 10.770 1203 1HB ASN 61 2HB ASN 61 -0.090 -1.182 13.093 1204 2HB ASN 61 1HB ASN 61 -1.393 -2.226 12.537 1205 1HD2 ASN 61 1HD2 ASN 61 0.790 -2.055 14.809 1206 2HD2 ASN 61 2HD2 ASN 61 1.234 -3.713 14.996 1207 H PHE 62 H PHE 62 0.349 -1.336 8.661 1208 HA PHE 62 HA PHE 62 -2.448 -0.430 8.541 1209 1HB PHE 62 2HB PHE 62 -1.822 1.166 6.896 1210 2HB PHE 62 1HB PHE 62 -0.607 1.283 8.166 1211 HD1 PHE 62 1HD PHE 62 1.073 -1.063 7.535 1212 HD2 PHE 62 2HD PHE 62 -0.691 1.854 4.993 1213 HE1 PHE 62 1HE PHE 62 2.841 -1.451 5.870 1214 HE2 PHE 62 2HE PHE 62 1.072 1.473 3.321 1215 HZ PHE 62 HZ PHE 62 2.844 -0.182 3.759 1216 H GLY 63 H GLY 63 -2.322 -0.201 5.643 1217 1HA GLY 63 2HA GLY 63 -1.858 -2.895 4.662 1218 2HA GLY 63 1HA GLY 63 -3.543 -2.394 4.721 1219 H SER 64 H SER 64 -0.627 -2.268 2.976 1220 HA SER 64 HA SER 64 -1.549 -0.058 1.304 1221 1HB SER 64 2HB SER 64 0.615 0.286 0.714 1222 2HB SER 64 1HB SER 64 0.945 -0.647 2.174 1223 HG SER 64 HG SER 64 2.088 -1.654 0.616 1224 H TYR 65 H TYR 65 -2.193 -0.246 -0.757 1225 HA TYR 65 HA TYR 65 -1.973 -2.812 -2.128 1226 1HB TYR 65 2HB TYR 65 -4.337 -2.072 -0.827 1227 2HB TYR 65 1HB TYR 65 -4.625 -1.702 -2.525 1228 HD1 TYR 65 1HD TYR 65 -3.648 -4.405 -0.191 1229 HD2 TYR 65 2HD TYR 65 -5.033 -3.420 -4.089 1230 HE1 TYR 65 1HE TYR 65 -4.089 -6.782 -0.627 1231 HE2 TYR 65 2HE TYR 65 -5.481 -5.794 -4.538 1232 HH TYR 65 HH TYR 65 -5.555 -8.142 -2.128 1233 H VAL 66 H VAL 66 -0.456 -0.756 -2.773 1234 HA VAL 66 HA VAL 66 -1.763 0.734 -4.929 1235 HB VAL 66 HB VAL 66 0.087 2.222 -4.914 1236 1HG1 VAL 66 1HG1 VAL 66 -0.125 1.648 -1.993 1237 2HG1 VAL 66 2HG1 VAL 66 -1.567 2.122 -2.891 1238 3HG1 VAL 66 3HG1 VAL 66 -0.167 3.193 -2.843 1239 1HG2 VAL 66 1HG2 VAL 66 1.817 0.419 -4.723 1240 2HG2 VAL 66 2HG2 VAL 66 1.520 0.402 -2.986 1241 3HG2 VAL 66 3HG2 VAL 66 2.146 1.859 -3.759 1242 H THR 67 H THR 67 -1.194 0.550 -7.045 1243 HA THR 67 HA THR 67 0.145 -1.857 -7.846 1244 HB THR 67 HB THR 67 -1.856 -0.691 -8.986 1245 HG1 THR 67 1HG THR 67 -0.527 -1.223 -11.131 1246 1HG2 THR 67 1HG2 THR 67 -0.263 1.437 -9.241 1247 2HG2 THR 67 2HG2 THR 67 -1.579 1.065 -10.355 1248 3HG2 THR 67 3HG2 THR 67 0.078 0.625 -10.769 1249 H HIS 68 H HIS 68 2.149 -2.105 -8.729 1250 HA HIS 68 HA HIS 68 3.868 0.278 -8.726 1251 1HB HIS 68 2HB HIS 68 5.707 -1.093 -8.134 1252 2HB HIS 68 1HB HIS 68 4.378 -1.613 -7.104 1253 HD1 HIS 68 1HD HIS 68 2.959 -3.723 -8.440 1254 HD2 HIS 68 2HD HIS 68 7.033 -3.227 -9.088 1255 HE1 HIS 68 1HE HIS 68 3.779 -5.941 -9.297 1256 HE2 HIS 68 2HE HIS 68 6.253 -5.628 -9.651 1257 H GLU 69 H GLU 69 5.603 0.339 -10.313 1258 HA GLU 69 HA GLU 69 5.448 -1.370 -12.624 1259 1HB GLU 69 2HB GLU 69 5.053 0.590 -14.184 1260 2HB GLU 69 1HB GLU 69 3.653 0.034 -13.278 1261 1HG GLU 69 2HG GLU 69 3.510 1.932 -12.058 1262 2HG GLU 69 1HG GLU 69 5.252 2.199 -12.062 1263 H THR 70 H THR 70 6.934 -0.334 -14.422 1264 HA THR 70 HA THR 70 9.018 0.332 -15.043 1265 HB THR 70 HB THR 70 9.502 1.876 -12.551 1266 HG1 THR 70 1HG THR 70 7.170 2.025 -13.886 1267 1HG2 THR 70 1HG2 THR 70 9.910 2.285 -15.476 1268 2HG2 THR 70 2HG2 THR 70 11.070 2.389 -14.152 1269 3HG2 THR 70 3HG2 THR 70 9.876 3.666 -14.380 1270 H LYS 71 H LYS 71 9.934 0.732 -11.691 1271 HA LYS 71 HA LYS 71 10.690 -1.745 -10.879 1272 1HB LYS 71 2HB LYS 71 13.206 -1.637 -11.595 1273 2HB LYS 71 1HB LYS 71 12.008 -2.323 -12.684 1274 1HG LYS 71 2HG LYS 71 11.864 -0.082 -13.791 1275 2HG LYS 71 1HG LYS 71 13.246 0.412 -12.812 1276 1HD LYS 71 2HD LYS 71 14.227 -1.865 -13.810 1277 2HD LYS 71 1HD LYS 71 13.108 -1.449 -15.111 1278 1HE LYS 71 2HE LYS 71 14.776 0.762 -14.115 1279 2HE LYS 71 1HE LYS 71 15.648 -0.535 -14.934 1280 1HZ LYS 71 1HZ LYS 71 15.106 0.712 -16.723 1281 2HZ LYS 71 2HZ LYS 71 13.726 1.378 -16.005 1282 3HZ LYS 71 3HZ LYS 71 13.674 -0.188 -16.643 1283 H HIS 72 H HIS 72 10.012 0.659 -9.714 1284 HA HIS 72 HA HIS 72 12.387 1.165 -8.065 1285 1HB HIS 72 2HB HIS 72 10.531 3.241 -9.235 1286 2HB HIS 72 1HB HIS 72 11.630 3.574 -7.901 1287 HD1 HIS 72 1HD HIS 72 14.151 3.714 -8.447 1288 HD2 HIS 72 2HD HIS 72 11.739 2.981 -11.749 1289 HE1 HIS 72 1HE HIS 72 15.624 4.087 -10.450 1290 HE2 HIS 72 2HE HIS 72 14.167 3.552 -12.435 1291 H PHE 73 H PHE 73 10.504 -0.655 -7.360 1292 HA PHE 73 HA PHE 73 9.064 0.718 -5.189 1293 1HB PHE 73 2HB PHE 73 7.317 0.061 -6.605 1294 2HB PHE 73 1HB PHE 73 8.116 -1.441 -7.051 1295 HD1 PHE 73 1HD PHE 73 5.634 0.041 -5.035 1296 HD2 PHE 73 2HD PHE 73 8.413 -3.181 -5.141 1297 HE1 PHE 73 1HE PHE 73 4.310 -1.151 -3.338 1298 HE2 PHE 73 2HE PHE 73 7.094 -4.380 -3.444 1299 HZ PHE 73 HZ PHE 73 5.039 -3.364 -2.541 1300 H ILE 74 H ILE 74 9.191 -0.209 -3.179 1301 HA ILE 74 HA ILE 74 10.337 -2.862 -2.897 1302 HB ILE 74 HB ILE 74 12.268 -1.239 -2.973 1303 1HG1 ILE 74 2HG1 ILE 74 11.657 -3.181 -0.790 1304 2HG1 ILE 74 1HG1 ILE 74 12.870 -3.267 -2.057 1305 1HG2 ILE 74 1HG2 ILE 74 11.237 -0.398 -0.266 1306 2HG2 ILE 74 2HG2 ILE 74 11.069 0.562 -1.735 1307 3HG2 ILE 74 3HG2 ILE 74 12.673 0.202 -1.098 1308 1HD1 ILE 74 1HD1 ILE 74 13.970 -1.325 -0.672 1309 2HD1 ILE 74 2HD1 ILE 74 14.188 -3.017 -0.222 1310 3HD1 ILE 74 3HD1 ILE 74 13.007 -2.022 0.631 1311 H TYR 75 H TYR 75 9.440 -3.922 -1.268 1312 HA TYR 75 HA TYR 75 8.004 -2.370 0.785 1313 1HB TYR 75 2HB TYR 75 6.743 -3.963 -0.885 1314 2HB TYR 75 1HB TYR 75 7.341 -5.231 0.179 1315 HD1 TYR 75 1HD TYR 75 6.330 -5.638 2.284 1316 HD2 TYR 75 2HD TYR 75 5.257 -2.178 0.054 1317 HE1 TYR 75 1HE TYR 75 4.457 -5.234 3.824 1318 HE2 TYR 75 2HE TYR 75 3.380 -1.764 1.588 1319 HH TYR 75 HH TYR 75 2.341 -4.081 3.887 1320 H PHE 76 H PHE 76 8.512 -2.718 2.873 1321 HA PHE 76 HA PHE 76 9.735 -5.121 3.812 1322 1HB PHE 76 2HB PHE 76 11.841 -3.914 4.606 1323 2HB PHE 76 1HB PHE 76 11.753 -4.314 2.895 1324 HD1 PHE 76 1HD PHE 76 12.808 -1.892 5.036 1325 HD2 PHE 76 2HD PHE 76 10.409 -2.317 1.546 1326 HE1 PHE 76 1HE PHE 76 13.224 0.465 4.467 1327 HE2 PHE 76 2HE PHE 76 10.822 0.040 0.970 1328 HZ PHE 76 HZ PHE 76 12.231 1.433 2.431 1329 H TYR 77 H TYR 77 10.478 -4.854 6.140 1330 HA TYR 77 HA TYR 77 8.927 -2.770 7.516 1331 1HB TYR 77 2HB TYR 77 7.482 -4.587 7.780 1332 2HB TYR 77 1HB TYR 77 8.803 -5.740 7.933 1333 HD1 TYR 77 1HD TYR 77 10.056 -5.906 10.064 1334 HD2 TYR 77 2HD TYR 77 6.621 -3.424 9.685 1335 HE1 TYR 77 1HE TYR 77 9.877 -5.791 12.514 1336 HE2 TYR 77 2HE TYR 77 6.433 -3.303 12.134 1337 HH TYR 77 HH TYR 77 7.411 -3.789 14.082 1338 H LEU 78 H LEU 78 10.256 -1.604 8.719 1339 HA LEU 78 HA LEU 78 12.883 -2.447 9.403 1340 1HB LEU 78 2HB LEU 78 11.194 -0.060 10.013 1341 2HB LEU 78 1HB LEU 78 12.669 -0.318 10.926 1342 HG LEU 78 HG LEU 78 12.876 1.221 8.948 1343 1HD1 LEU 78 1HD1 LEU 78 14.790 -0.732 8.139 1344 2HD1 LEU 78 2HD1 LEU 78 14.614 -0.788 9.893 1345 3HD1 LEU 78 3HD1 LEU 78 15.029 0.729 9.095 1346 1HD2 LEU 78 1HD2 LEU 78 11.969 -1.237 7.594 1347 2HD2 LEU 78 2HD2 LEU 78 13.292 -0.366 6.818 1348 3HD2 LEU 78 3HD2 LEU 78 11.765 0.455 7.140 1349 H GLY 79 H GLY 79 13.705 -2.313 11.696 1350 1HA GLY 79 2HA GLY 79 13.071 -4.303 13.293 1351 2HA GLY 79 1HA GLY 79 13.481 -2.745 13.992 1352 H GLN 80 H GLN 80 11.105 -1.369 13.147 1353 HA GLN 80 HA GLN 80 8.868 -2.831 14.256 1354 1HB GLN 80 2HB GLN 80 9.502 -0.252 15.632 1355 2HB GLN 80 1HB GLN 80 8.532 -1.605 16.194 1356 1HG GLN 80 2HG GLN 80 10.709 -2.916 16.293 1357 2HG GLN 80 1HG GLN 80 11.518 -1.362 16.107 1358 1HE2 GLN 80 1HE2 GLN 80 9.593 -3.367 18.185 1359 2HE2 GLN 80 2HE2 GLN 80 9.804 -2.433 19.623 1360 H VAL 81 H VAL 81 9.343 -1.712 11.709 1361 HA VAL 81 HA VAL 81 7.009 -0.034 11.480 1362 HB VAL 81 HB VAL 81 9.745 1.037 10.796 1363 1HG1 VAL 81 1HG1 VAL 81 8.731 2.865 9.662 1364 2HG1 VAL 81 2HG1 VAL 81 7.113 2.331 10.116 1365 3HG1 VAL 81 3HG1 VAL 81 8.061 1.389 8.965 1366 1HG2 VAL 81 1HG2 VAL 81 8.384 2.997 12.108 1367 2HG2 VAL 81 2HG2 VAL 81 9.496 1.859 12.867 1368 3HG2 VAL 81 3HG2 VAL 81 7.761 1.545 12.890 1369 H ALA 82 H ALA 82 6.598 0.527 9.130 1370 HA ALA 82 HA ALA 82 7.685 -1.566 7.365 1371 1HB ALA 82 1HB ALA 82 5.457 -2.225 7.931 1372 2HB ALA 82 2HB ALA 82 5.440 -1.629 6.272 1373 3HB ALA 82 3HB ALA 82 4.835 -0.613 7.580 1374 H ILE 83 H ILE 83 7.558 -1.035 5.047 1375 HA ILE 83 HA ILE 83 7.285 1.797 4.419 1376 HB ILE 83 HB ILE 83 9.728 0.720 3.241 1377 1HG1 ILE 83 2HG1 ILE 83 9.724 -0.297 5.583 1378 2HG1 ILE 83 1HG1 ILE 83 11.121 0.688 5.162 1379 1HG2 ILE 83 1HG2 ILE 83 9.243 3.222 4.846 1380 2HG2 ILE 83 2HG2 ILE 83 8.921 3.067 3.119 1381 3HG2 ILE 83 3HG2 ILE 83 10.570 2.912 3.726 1382 1HD1 ILE 83 1HD1 ILE 83 9.296 0.976 7.338 1383 2HD1 ILE 83 2HD1 ILE 83 9.254 2.426 6.335 1384 3HD1 ILE 83 3HD1 ILE 83 10.785 1.860 7.003 1385 H LEU 84 H LEU 84 6.452 2.117 2.466 1386 HA LEU 84 HA LEU 84 6.493 -0.103 0.529 1387 1HB LEU 84 2HB LEU 84 4.271 0.044 1.409 1388 2HB LEU 84 1HB LEU 84 4.251 1.788 1.230 1389 HG LEU 84 HG LEU 84 4.616 1.105 -1.340 1390 1HD1 LEU 84 1HD1 LEU 84 4.572 -1.187 -1.323 1391 2HD1 LEU 84 2HD1 LEU 84 2.868 -0.825 -1.600 1392 3HD1 LEU 84 3HD1 LEU 84 3.425 -1.265 0.014 1393 1HD2 LEU 84 1HD2 LEU 84 2.040 1.285 0.206 1394 2HD2 LEU 84 2HD2 LEU 84 2.118 1.270 -1.555 1395 3HD2 LEU 84 3HD2 LEU 84 2.883 2.576 -0.649 1396 H LEU 85 H LEU 85 8.235 0.735 -0.621 1397 HA LEU 85 HA LEU 85 8.054 3.454 -1.652 1398 1HB LEU 85 2HB LEU 85 10.173 1.576 -1.108 1399 2HB LEU 85 1HB LEU 85 10.296 2.178 -2.750 1400 HG LEU 85 HG LEU 85 10.066 4.521 -1.683 1401 1HD1 LEU 85 1HD1 LEU 85 9.446 3.420 0.550 1402 2HD1 LEU 85 2HD1 LEU 85 10.572 4.778 0.571 1403 3HD1 LEU 85 3HD1 LEU 85 11.177 3.128 0.722 1404 1HD2 LEU 85 1HD2 LEU 85 12.201 4.587 -2.276 1405 2HD2 LEU 85 2HD2 LEU 85 12.273 2.826 -2.228 1406 3HD2 LEU 85 3HD2 LEU 85 12.650 3.763 -0.783 1407 H PHE 86 H PHE 86 7.817 4.005 -3.757 1408 HA PHE 86 HA PHE 86 8.077 2.280 -5.953 1409 1HB PHE 86 2HB PHE 86 5.990 1.451 -6.412 1410 2HB PHE 86 1HB PHE 86 5.934 1.437 -4.655 1411 HD1 PHE 86 1HD PHE 86 4.442 2.856 -3.454 1412 HD2 PHE 86 2HD PHE 86 4.799 3.180 -7.682 1413 HE1 PHE 86 1HE PHE 86 2.417 4.254 -3.514 1414 HE2 PHE 86 2HE PHE 86 2.776 4.578 -7.752 1415 HZ PHE 86 HZ PHE 86 1.582 5.116 -5.666 1416 H LYS 87 H LYS 87 8.239 3.448 -7.767 1417 HA LYS 87 HA LYS 87 7.472 6.279 -7.650 1418 1HB LYS 87 2HB LYS 87 9.193 4.845 -9.681 1419 2HB LYS 87 1HB LYS 87 8.969 6.583 -9.543 1420 1HG LYS 87 2HG LYS 87 10.020 6.508 -7.313 1421 2HG LYS 87 1HG LYS 87 10.318 4.783 -7.544 1422 1HD LYS 87 2HD LYS 87 12.326 5.897 -8.129 1423 2HD LYS 87 1HD LYS 87 11.569 5.401 -9.644 1424 1HE LYS 87 2HE LYS 87 10.602 7.987 -8.942 1425 2HE LYS 87 1HE LYS 87 12.361 7.998 -8.833 1426 1HZ LYS 87 1HZ LYS 87 10.669 7.822 -11.155 1427 2HZ LYS 87 2HZ LYS 87 11.918 6.681 -11.146 1428 3HZ LYS 87 3HZ LYS 87 12.279 8.329 -11.024 1429 H SER 88 H SER 88 6.492 7.278 -9.544 1430 HA SER 88 HA SER 88 4.581 5.458 -10.826 1431 1HB SER 88 2HB SER 88 4.382 8.127 -9.720 1432 2HB SER 88 1HB SER 88 3.822 8.091 -11.392 1433 HG SER 88 HG SER 88 2.683 7.033 -9.143 1434 H GLY 89 H GLY 89 7.415 6.142 -11.562 1435 1HA GLY 89 2HA GLY 89 7.255 5.895 -14.311 1436 2HA GLY 89 1HA GLY 89 7.345 7.621 -13.995 Start of MODEL 15 1 1H MET 1 1HT MET 1 -29.382 6.309 6.760 2 2H MET 1 2HT MET 1 -29.634 7.611 5.670 3 3H MET 1 3HT MET 1 -28.049 7.234 6.208 4 HA MET 1 HA MET 1 -29.155 4.943 5.118 5 1HB MET 1 2HB MET 1 -29.732 5.647 2.906 6 2HB MET 1 1HB MET 1 -30.675 6.624 4.024 7 1HG MET 1 2HG MET 1 -29.574 8.542 3.503 8 2HG MET 1 1HG MET 1 -28.073 7.708 3.107 9 1HE MET 1 1HE MET 1 -31.165 9.465 1.741 10 2HE MET 1 2HE MET 1 -30.494 9.658 0.122 11 3HE MET 1 3HE MET 1 -29.552 10.145 1.531 12 H CYS 2 H CYS 2 -26.974 7.601 5.256 13 HA CYS 2 HA CYS 2 -24.802 5.888 4.367 14 1HB CYS 2 2HB CYS 2 -23.966 7.350 2.690 15 2HB CYS 2 1HB CYS 2 -25.678 7.135 2.340 16 HG CYS 2 HG CYS 2 -24.329 9.756 3.161 17 H ASP 3 H ASP 3 -23.366 6.014 5.948 18 HA ASP 3 HA ASP 3 -23.154 8.486 7.503 19 1HB ASP 3 2HB ASP 3 -23.440 6.647 8.943 20 2HB ASP 3 1HB ASP 3 -22.332 5.637 8.019 21 H ARG 4 H ARG 4 -21.230 6.271 5.545 22 HA ARG 4 HA ARG 4 -19.220 6.523 4.502 23 1HB ARG 4 2HB ARG 4 -19.984 9.368 5.034 24 2HB ARG 4 1HB ARG 4 -18.366 9.010 4.444 25 1HG ARG 4 2HG ARG 4 -19.127 8.848 2.375 26 2HG ARG 4 1HG ARG 4 -20.255 7.581 2.862 27 1HD ARG 4 2HD ARG 4 -21.750 9.127 2.118 28 2HD ARG 4 1HD ARG 4 -21.606 9.661 3.792 29 HE ARG 4 HE ARG 4 -19.714 10.935 2.072 30 1HH1 ARG 4 1HH1 ARG 4 -23.020 10.997 3.166 31 2HH1 ARG 4 2HH1 ARG 4 -23.233 12.684 2.834 32 1HH2 ARG 4 1HH2 ARG 4 -19.983 13.154 1.630 33 2HH2 ARG 4 2HH2 ARG 4 -21.506 13.910 1.960 34 H LYS 5 H LYS 5 -19.345 5.857 7.280 35 HA LYS 5 HA LYS 5 -17.800 7.080 9.096 36 1HB LYS 5 2HB LYS 5 -18.757 4.914 9.545 37 2HB LYS 5 1HB LYS 5 -17.714 4.155 8.352 38 1HG LYS 5 2HG LYS 5 -16.966 3.720 10.636 39 2HG LYS 5 1HG LYS 5 -15.765 4.621 9.710 40 1HD LYS 5 2HD LYS 5 -15.772 5.769 11.713 41 2HD LYS 5 1HD LYS 5 -16.923 6.707 10.759 42 1HE LYS 5 2HE LYS 5 -18.765 5.814 11.887 43 2HE LYS 5 1HE LYS 5 -17.835 4.454 12.516 44 1HZ LYS 5 1HZ LYS 5 -17.675 7.290 13.370 45 2HZ LYS 5 2HZ LYS 5 -16.563 6.110 13.852 46 3HZ LYS 5 3HZ LYS 5 -18.190 5.966 14.288 47 H ALA 6 H ALA 6 -15.861 7.955 9.149 48 HA ALA 6 HA ALA 6 -13.423 6.992 8.673 49 1HB ALA 6 1HB ALA 6 -13.051 8.054 6.249 50 2HB ALA 6 2HB ALA 6 -14.729 7.540 6.073 51 3HB ALA 6 3HB ALA 6 -13.485 6.363 6.494 52 H VAL 7 H VAL 7 -11.736 8.602 8.510 53 HA VAL 7 HA VAL 7 -12.723 11.353 8.892 54 HB VAL 7 HB VAL 7 -10.398 10.061 10.324 55 1HG1 VAL 7 1HG1 VAL 7 -11.278 12.846 9.997 56 2HG1 VAL 7 2HG1 VAL 7 -9.691 12.196 10.413 57 3HG1 VAL 7 3HG1 VAL 7 -10.931 12.362 11.658 58 1HG2 VAL 7 1HG2 VAL 7 -13.081 10.936 11.390 59 2HG2 VAL 7 2HG2 VAL 7 -11.755 10.255 12.333 60 3HG2 VAL 7 3HG2 VAL 7 -12.577 9.266 11.126 61 H ILE 8 H ILE 8 -12.307 11.591 6.585 62 HA ILE 8 HA ILE 8 -9.932 11.180 5.276 63 HB ILE 8 HB ILE 8 -12.190 13.057 4.907 64 1HG1 ILE 8 2HG1 ILE 8 -11.737 12.131 2.493 65 2HG1 ILE 8 1HG1 ILE 8 -10.724 10.970 3.344 66 1HG2 ILE 8 1HG2 ILE 8 -10.011 13.536 2.982 67 2HG2 ILE 8 2HG2 ILE 8 -9.798 14.253 4.580 68 3HG2 ILE 8 3HG2 ILE 8 -11.228 14.642 3.623 69 1HD1 ILE 8 1HD1 ILE 8 -12.527 10.024 4.451 70 2HD1 ILE 8 2HD1 ILE 8 -13.158 10.350 2.837 71 3HD1 ILE 8 3HD1 ILE 8 -13.559 11.428 4.173 72 H LYS 9 H LYS 9 -8.343 12.823 4.556 73 HA LYS 9 HA LYS 9 -7.785 15.076 6.224 74 1HB LYS 9 2HB LYS 9 -5.482 13.273 6.371 75 2HB LYS 9 1HB LYS 9 -6.198 14.284 7.618 76 1HG LYS 9 2HG LYS 9 -7.876 12.016 6.961 77 2HG LYS 9 1HG LYS 9 -6.264 11.529 7.490 78 1HD LYS 9 2HD LYS 9 -6.711 13.323 9.368 79 2HD LYS 9 1HD LYS 9 -8.397 12.988 8.972 80 1HE LYS 9 2HE LYS 9 -8.092 11.390 10.561 81 2HE LYS 9 1HE LYS 9 -7.536 10.482 9.156 82 1HZ LYS 9 1HZ LYS 9 -6.101 10.572 11.296 83 2HZ LYS 9 2HZ LYS 9 -5.607 12.074 10.698 84 3HZ LYS 9 3HZ LYS 9 -5.352 10.676 9.782 85 H ASN 10 H ASN 10 -7.369 13.109 3.529 86 HA ASN 10 HA ASN 10 -6.064 15.180 2.050 87 1HB ASN 10 2HB ASN 10 -4.330 13.486 3.371 88 2HB ASN 10 1HB ASN 10 -4.445 12.754 1.773 89 1HD2 ASN 10 1HD2 ASN 10 -4.335 14.458 -0.042 90 2HD2 ASN 10 2HD2 ASN 10 -3.062 15.616 0.110 91 H ALA 11 H ALA 11 -7.919 14.963 0.769 92 HA ALA 11 HA ALA 11 -7.967 12.525 -0.883 93 1HB ALA 11 1HB ALA 11 -9.893 12.962 0.838 94 2HB ALA 11 2HB ALA 11 -10.250 12.351 -0.778 95 3HB ALA 11 3HB ALA 11 -10.475 14.061 -0.413 96 H ASP 12 H ASP 12 -6.815 13.387 -2.584 97 HA ASP 12 HA ASP 12 -7.641 15.890 -3.793 98 1HB ASP 12 2HB ASP 12 -5.224 15.065 -3.637 99 2HB ASP 12 1HB ASP 12 -5.644 13.919 -4.908 100 H MET 13 H MET 13 -9.488 13.636 -3.653 101 HA MET 13 HA MET 13 -9.934 13.189 -6.532 102 1HB MET 13 2HB MET 13 -9.415 11.087 -5.500 103 2HB MET 13 1HB MET 13 -10.524 11.401 -4.172 104 1HG MET 13 2HG MET 13 -12.395 10.973 -5.456 105 2HG MET 13 1HG MET 13 -11.545 11.260 -6.974 106 1HE MET 13 1HE MET 13 -12.470 8.693 -4.195 107 2HE MET 13 2HE MET 13 -10.787 9.046 -3.803 108 3HE MET 13 3HE MET 13 -11.238 7.449 -4.401 109 H SER 14 H SER 14 -12.179 13.046 -7.203 110 HA SER 14 HA SER 14 -13.769 15.141 -6.565 111 1HB SER 14 2HB SER 14 -15.025 12.466 -7.155 112 2HB SER 14 1HB SER 14 -15.551 14.066 -7.676 113 HG SER 14 HG SER 14 -13.669 12.377 -8.769 114 H GLU 15 H GLU 15 -15.508 15.562 -5.183 115 HA GLU 15 HA GLU 15 -15.269 14.737 -2.547 116 1HB GLU 15 2HB GLU 15 -17.281 16.221 -4.120 117 2HB GLU 15 1HB GLU 15 -17.858 15.521 -2.614 118 1HG GLU 15 2HG GLU 15 -17.078 17.328 -1.603 119 2HG GLU 15 1HG GLU 15 -15.459 16.708 -1.923 120 H GLU 16 H GLU 16 -17.805 13.747 -4.865 121 HA GLU 16 HA GLU 16 -18.965 11.820 -3.172 122 1HB GLU 16 2HB GLU 16 -19.894 12.853 -5.345 123 2HB GLU 16 1HB GLU 16 -18.963 11.614 -6.176 124 1HG GLU 16 2HG GLU 16 -20.539 10.479 -4.045 125 2HG GLU 16 1HG GLU 16 -21.541 11.390 -5.174 126 H MET 17 H MET 17 -16.180 11.761 -5.236 127 HA MET 17 HA MET 17 -15.921 8.929 -5.407 128 1HB MET 17 2HB MET 17 -14.110 11.254 -5.958 129 2HB MET 17 1HB MET 17 -13.458 9.621 -5.936 130 1HG MET 17 2HG MET 17 -15.527 10.774 -7.774 131 2HG MET 17 1HG MET 17 -13.951 10.097 -8.181 132 1HE MET 17 1HE MET 17 -13.373 7.693 -7.201 133 2HE MET 17 2HE MET 17 -14.463 6.322 -7.413 134 3HE MET 17 3HE MET 17 -14.547 7.297 -5.946 135 H GLN 18 H GLN 18 -14.928 11.364 -3.110 136 HA GLN 18 HA GLN 18 -13.141 9.611 -1.684 137 1HB GLN 18 2HB GLN 18 -13.774 11.679 0.047 138 2HB GLN 18 1HB GLN 18 -12.396 11.624 -1.041 139 1HG GLN 18 2HG GLN 18 -14.469 12.514 -2.635 140 2HG GLN 18 1HG GLN 18 -14.736 13.318 -1.089 141 1HE2 GLN 18 1HE2 GLN 18 -11.551 12.378 -2.069 142 2HE2 GLN 18 2HE2 GLN 18 -10.957 13.966 -2.395 143 H GLN 19 H GLN 19 -16.499 10.495 -1.577 144 HA GLN 19 HA GLN 19 -16.989 9.399 1.034 145 1HB GLN 19 2HB GLN 19 -19.336 9.805 0.547 146 2HB GLN 19 1HB GLN 19 -18.386 11.211 0.087 147 1HG GLN 19 2HG GLN 19 -18.713 10.872 -2.158 148 2HG GLN 19 1HG GLN 19 -19.006 9.143 -1.964 149 1HE2 GLN 19 1HE2 GLN 19 -20.882 9.433 0.186 150 2HE2 GLN 19 2HE2 GLN 19 -22.341 10.059 -0.495 151 H ASP 20 H ASP 20 -17.477 8.406 -2.315 152 HA ASP 20 HA ASP 20 -18.634 5.891 -1.655 153 1HB ASP 20 2HB ASP 20 -18.211 5.341 -4.051 154 2HB ASP 20 1HB ASP 20 -19.069 6.863 -3.834 155 H SER 21 H SER 21 -15.421 7.127 -2.110 156 HA SER 21 HA SER 21 -14.051 4.672 -2.380 157 1HB SER 21 2HB SER 21 -12.661 6.405 -2.962 158 2HB SER 21 1HB SER 21 -13.303 7.477 -1.716 159 HG SER 21 HG SER 21 -11.206 5.699 -1.608 160 H VAL 22 H VAL 22 -14.802 6.712 0.430 161 HA VAL 22 HA VAL 22 -13.513 5.147 2.366 162 HB VAL 22 HB VAL 22 -15.939 6.930 2.609 163 1HG1 VAL 22 1HG1 VAL 22 -15.899 5.200 4.377 164 2HG1 VAL 22 2HG1 VAL 22 -15.673 6.832 5.005 165 3HG1 VAL 22 3HG1 VAL 22 -14.290 5.750 4.841 166 1HG2 VAL 22 1HG2 VAL 22 -13.983 8.174 3.964 167 2HG2 VAL 22 2HG2 VAL 22 -14.284 8.433 2.246 168 3HG2 VAL 22 3HG2 VAL 22 -13.014 7.323 2.761 169 H GLU 23 H GLU 23 -16.858 5.083 1.167 170 HA GLU 23 HA GLU 23 -17.829 3.052 2.817 171 1HB GLU 23 2HB GLU 23 -18.599 3.519 -0.073 172 2HB GLU 23 1HB GLU 23 -19.574 2.739 1.165 173 1HG GLU 23 2HG GLU 23 -19.557 4.908 2.417 174 2HG GLU 23 1HG GLU 23 -18.796 5.637 1.004 175 H CYS 24 H CYS 24 -15.900 2.940 -0.105 176 HA CYS 24 HA CYS 24 -16.107 0.120 -0.508 177 1HB CYS 24 2HB CYS 24 -15.466 1.732 -2.303 178 2HB CYS 24 1HB CYS 24 -13.940 2.005 -1.466 179 HG CYS 24 HG CYS 24 -13.115 -0.264 -2.183 180 H ALA 25 H ALA 25 -13.926 2.248 1.237 181 HA ALA 25 HA ALA 25 -12.015 0.222 1.899 182 1HB ALA 25 1HB ALA 25 -10.838 1.966 2.666 183 2HB ALA 25 2HB ALA 25 -12.113 2.393 3.806 184 3HB ALA 25 3HB ALA 25 -12.165 3.008 2.154 185 H THR 26 H THR 26 -14.967 1.467 3.145 186 HA THR 26 HA THR 26 -14.872 0.246 5.716 187 HB THR 26 HB THR 26 -17.279 1.149 4.126 188 HG1 THR 26 1HG THR 26 -15.707 2.631 5.963 189 1HG2 THR 26 1HG2 THR 26 -18.206 0.094 5.920 190 2HG2 THR 26 2HG2 THR 26 -18.005 1.729 6.550 191 3HG2 THR 26 3HG2 THR 26 -16.850 0.469 6.982 192 H GLN 27 H GLN 27 -16.127 -0.592 2.545 193 HA GLN 27 HA GLN 27 -17.579 -2.885 3.238 194 1HB GLN 27 2HB GLN 27 -16.425 -1.749 0.772 195 2HB GLN 27 1HB GLN 27 -16.643 -3.493 0.752 196 1HG GLN 27 2HG GLN 27 -19.016 -2.485 1.797 197 2HG GLN 27 1HG GLN 27 -18.589 -1.392 0.482 198 1HE2 GLN 27 1HE2 GLN 27 -17.102 -3.986 -0.513 199 2HE2 GLN 27 2HE2 GLN 27 -18.350 -4.796 -1.392 200 H ALA 28 H ALA 28 -14.200 -2.416 2.343 201 HA ALA 28 HA ALA 28 -13.497 -5.178 2.554 202 1HB ALA 28 1HB ALA 28 -11.224 -4.443 2.295 203 2HB ALA 28 2HB ALA 28 -11.666 -2.784 2.701 204 3HB ALA 28 3HB ALA 28 -12.237 -3.505 1.197 205 H LEU 29 H LEU 29 -13.814 -2.518 4.724 206 HA LEU 29 HA LEU 29 -12.203 -3.540 6.832 207 1HB LEU 29 2HB LEU 29 -14.253 -1.381 6.597 208 2HB LEU 29 1HB LEU 29 -13.666 -1.866 8.178 209 HG LEU 29 HG LEU 29 -11.596 -1.271 6.154 210 1HD1 LEU 29 1HD1 LEU 29 -12.677 0.612 5.537 211 2HD1 LEU 29 2HD1 LEU 29 -11.962 1.215 7.034 212 3HD1 LEU 29 3HD1 LEU 29 -13.641 0.677 7.013 213 1HD2 LEU 29 1HD2 LEU 29 -11.979 -1.196 9.068 214 2HD2 LEU 29 2HD2 LEU 29 -10.981 0.096 8.400 215 3HD2 LEU 29 3HD2 LEU 29 -10.547 -1.591 8.118 216 H GLU 30 H GLU 30 -15.687 -3.532 6.178 217 HA GLU 30 HA GLU 30 -16.322 -5.008 8.556 218 1HB GLU 30 2HB GLU 30 -17.810 -3.836 6.283 219 2HB GLU 30 1HB GLU 30 -18.556 -5.233 7.045 220 1HG GLU 30 2HG GLU 30 -17.606 -2.885 8.647 221 2HG GLU 30 1HG GLU 30 -19.200 -2.919 7.895 222 H LYS 31 H LYS 31 -15.388 -5.801 5.340 223 HA LYS 31 HA LYS 31 -16.438 -8.511 5.506 224 1HB LYS 31 2HB LYS 31 -14.797 -7.159 3.358 225 2HB LYS 31 1HB LYS 31 -15.482 -8.774 3.244 226 1HG LYS 31 2HG LYS 31 -16.970 -6.167 3.392 227 2HG LYS 31 1HG LYS 31 -16.891 -7.289 2.034 228 1HD LYS 31 2HD LYS 31 -18.224 -8.881 3.136 229 2HD LYS 31 1HD LYS 31 -18.000 -8.103 4.704 230 1HE LYS 31 2HE LYS 31 -19.566 -6.502 4.290 231 2HE LYS 31 1HE LYS 31 -19.254 -6.493 2.555 232 1HZ LYS 31 1HZ LYS 31 -20.367 -8.718 2.491 233 2HZ LYS 31 2HZ LYS 31 -21.385 -7.422 2.873 234 3HZ LYS 31 3HZ LYS 31 -20.848 -8.461 4.094 235 H TYR 32 H TYR 32 -13.465 -6.789 5.982 236 HA TYR 32 HA TYR 32 -12.230 -9.045 7.205 237 1HB TYR 32 2HB TYR 32 -10.303 -8.380 5.218 238 2HB TYR 32 1HB TYR 32 -11.089 -9.929 5.498 239 HD1 TYR 32 1HD TYR 32 -12.580 -10.802 3.915 240 HD2 TYR 32 2HD TYR 32 -11.507 -6.690 3.718 241 HE1 TYR 32 1HE TYR 32 -13.729 -10.613 1.750 242 HE2 TYR 32 2HE TYR 32 -12.653 -6.489 1.552 243 HH TYR 32 HH TYR 32 -14.758 -8.013 0.434 244 H ASN 33 H ASN 33 -11.297 -8.116 8.892 245 HA ASN 33 HA ASN 33 -10.441 -5.362 8.812 246 1HB ASN 33 2HB ASN 33 -10.226 -7.404 11.034 247 2HB ASN 33 1HB ASN 33 -9.944 -5.673 11.197 248 1HD2 ASN 33 1HD2 ASN 33 -11.694 -6.597 12.876 249 2HD2 ASN 33 2HD2 ASN 33 -13.318 -6.230 12.416 250 H ILE 34 H ILE 34 -8.995 -7.195 7.098 251 HA ILE 34 HA ILE 34 -6.353 -7.296 8.376 252 HB ILE 34 HB ILE 34 -7.376 -8.617 5.866 253 1HG1 ILE 34 2HG1 ILE 34 -8.130 -9.629 7.977 254 2HG1 ILE 34 1HG1 ILE 34 -7.032 -10.693 7.101 255 1HG2 ILE 34 1HG2 ILE 34 -4.719 -9.303 6.972 256 2HG2 ILE 34 2HG2 ILE 34 -4.858 -7.786 6.083 257 3HG2 ILE 34 3HG2 ILE 34 -5.290 -9.308 5.303 258 1HD1 ILE 34 1HD1 ILE 34 -5.203 -9.735 8.586 259 2HD1 ILE 34 2HD1 ILE 34 -6.365 -10.837 9.324 260 3HD1 ILE 34 3HD1 ILE 34 -6.515 -9.097 9.577 261 H GLU 35 H GLU 35 -5.433 -5.330 8.160 262 HA GLU 35 HA GLU 35 -5.639 -3.267 6.587 263 1HB GLU 35 2HB GLU 35 -2.956 -4.610 6.956 264 2HB GLU 35 1HB GLU 35 -3.219 -2.912 6.581 265 1HG GLU 35 2HG GLU 35 -2.977 -2.671 8.797 266 2HG GLU 35 1HG GLU 35 -4.682 -3.115 8.819 267 H LYS 36 H LYS 36 -3.040 -5.278 5.348 268 HA LYS 36 HA LYS 36 -3.080 -4.522 2.761 269 1HB LYS 36 2HB LYS 36 -2.573 -7.182 2.426 270 2HB LYS 36 1HB LYS 36 -1.389 -5.996 2.956 271 1HG LYS 36 2HG LYS 36 -1.133 -7.082 4.862 272 2HG LYS 36 1HG LYS 36 -2.847 -6.870 5.231 273 1HD LYS 36 2HD LYS 36 -2.698 -9.160 5.239 274 2HD LYS 36 1HD LYS 36 -3.123 -8.873 3.550 275 1HE LYS 36 2HE LYS 36 -1.295 -9.999 2.972 276 2HE LYS 36 1HE LYS 36 -0.338 -8.684 3.657 277 1HZ LYS 36 1HZ LYS 36 0.463 -10.404 4.870 278 2HZ LYS 36 2HZ LYS 36 -0.964 -11.306 4.781 279 3HZ LYS 36 3HZ LYS 36 -0.850 -10.010 5.861 280 H ASP 37 H ASP 37 -5.266 -6.835 4.261 281 HA ASP 37 HA ASP 37 -6.500 -7.775 1.913 282 1HB ASP 37 2HB ASP 37 -6.677 -8.447 4.524 283 2HB ASP 37 1HB ASP 37 -8.177 -7.544 4.341 284 H ILE 38 H ILE 38 -7.782 -5.420 4.273 285 HA ILE 38 HA ILE 38 -9.979 -4.541 2.898 286 HB ILE 38 HB ILE 38 -8.120 -2.776 4.499 287 1HG1 ILE 38 2HG1 ILE 38 -10.587 -4.075 5.598 288 2HG1 ILE 38 1HG1 ILE 38 -9.091 -5.000 5.508 289 1HG2 ILE 38 1HG2 ILE 38 -9.801 -1.220 4.645 290 2HG2 ILE 38 2HG2 ILE 38 -11.072 -2.400 4.328 291 3HG2 ILE 38 3HG2 ILE 38 -10.052 -1.828 3.009 292 1HD1 ILE 38 1HD1 ILE 38 -8.935 -4.157 7.615 293 2HD1 ILE 38 2HD1 ILE 38 -9.780 -2.664 7.203 294 3HD1 ILE 38 3HD1 ILE 38 -8.100 -2.891 6.716 295 H ALA 39 H ALA 39 -6.638 -3.409 2.569 296 HA ALA 39 HA ALA 39 -7.086 -1.348 0.739 297 1HB ALA 39 1HB ALA 39 -4.962 -1.584 1.857 298 2HB ALA 39 2HB ALA 39 -4.706 -1.657 0.113 299 3HB ALA 39 3HB ALA 39 -4.679 -3.137 1.072 300 H ALA 40 H ALA 40 -6.367 -4.783 0.193 301 HA ALA 40 HA ALA 40 -6.303 -4.739 -2.601 302 1HB ALA 40 1HB ALA 40 -6.179 -6.692 -0.583 303 2HB ALA 40 2HB ALA 40 -5.864 -6.901 -2.305 304 3HB ALA 40 3HB ALA 40 -7.482 -7.182 -1.665 305 H HIS 41 H HIS 41 -8.992 -5.775 -0.515 306 HA HIS 41 HA HIS 41 -10.989 -6.135 -2.303 307 1HB HIS 41 2HB HIS 41 -11.612 -6.533 -0.103 308 2HB HIS 41 1HB HIS 41 -10.953 -5.007 0.471 309 HD1 HIS 41 1HD HIS 41 -14.042 -6.538 0.262 310 HD2 HIS 41 2HD HIS 41 -12.687 -2.801 -0.949 311 HE1 HIS 41 1HE HIS 41 -16.098 -5.102 0.088 312 HE2 HIS 41 2HE HIS 41 -15.258 -2.851 -0.671 313 H ILE 42 H ILE 42 -10.323 -2.990 -0.760 314 HA ILE 42 HA ILE 42 -12.103 -1.436 -2.181 315 HB ILE 42 HB ILE 42 -9.356 -0.564 -1.279 316 1HG1 ILE 42 2HG1 ILE 42 -11.740 -0.014 0.384 317 2HG1 ILE 42 1HG1 ILE 42 -11.226 -1.697 0.325 318 1HG2 ILE 42 1HG2 ILE 42 -11.885 0.968 -1.859 319 2HG2 ILE 42 2HG2 ILE 42 -10.346 1.077 -2.714 320 3HG2 ILE 42 3HG2 ILE 42 -10.474 1.651 -1.052 321 1HD1 ILE 42 1HD1 ILE 42 -9.667 -1.266 1.826 322 2HD1 ILE 42 2HD1 ILE 42 -10.172 0.422 1.871 323 3HD1 ILE 42 3HD1 ILE 42 -8.926 -0.095 0.736 324 H LYS 43 H LYS 43 -8.607 -1.384 -2.874 325 HA LYS 43 HA LYS 43 -8.555 -0.107 -5.232 326 1HB LYS 43 2HB LYS 43 -6.594 -1.133 -4.027 327 2HB LYS 43 1HB LYS 43 -7.001 -2.659 -4.799 328 1HG LYS 43 2HG LYS 43 -6.320 -0.120 -6.267 329 2HG LYS 43 1HG LYS 43 -5.192 -1.439 -5.943 330 1HD LYS 43 2HD LYS 43 -7.599 -2.463 -7.132 331 2HD LYS 43 1HD LYS 43 -6.934 -1.166 -8.128 332 1HE LYS 43 2HE LYS 43 -5.834 -3.838 -7.497 333 2HE LYS 43 1HE LYS 43 -5.727 -2.890 -8.979 334 1HZ LYS 43 1HZ LYS 43 -4.193 -1.390 -7.590 335 2HZ LYS 43 2HZ LYS 43 -3.578 -2.856 -8.165 336 3HZ LYS 43 3HZ LYS 43 -4.062 -2.719 -6.551 337 H LYS 44 H LYS 44 -9.044 -3.633 -4.989 338 HA LYS 44 HA LYS 44 -9.402 -4.255 -7.627 339 1HB LYS 44 2HB LYS 44 -9.930 -5.500 -5.148 340 2HB LYS 44 1HB LYS 44 -11.399 -5.646 -6.102 341 1HG LYS 44 2HG LYS 44 -10.101 -7.579 -6.518 342 2HG LYS 44 1HG LYS 44 -9.987 -6.566 -7.959 343 1HD LYS 44 2HD LYS 44 -7.827 -5.675 -7.037 344 2HD LYS 44 1HD LYS 44 -7.931 -6.912 -5.783 345 1HE LYS 44 2HE LYS 44 -6.813 -8.217 -7.212 346 2HE LYS 44 1HE LYS 44 -8.343 -8.353 -8.077 347 1HZ LYS 44 1HZ LYS 44 -6.623 -7.732 -9.602 348 2HZ LYS 44 2HZ LYS 44 -6.160 -6.421 -8.637 349 3HZ LYS 44 3HZ LYS 44 -7.665 -6.412 -9.409 350 H GLU 45 H GLU 45 -12.092 -3.564 -5.410 351 HA GLU 45 HA GLU 45 -14.122 -3.425 -7.273 352 1HB GLU 45 2HB GLU 45 -13.896 -2.992 -4.555 353 2HB GLU 45 1HB GLU 45 -14.399 -1.422 -5.165 354 1HG GLU 45 2HG GLU 45 -16.432 -2.360 -4.803 355 2HG GLU 45 1HG GLU 45 -16.166 -2.873 -6.468 356 H PHE 46 H PHE 46 -12.142 -0.734 -6.044 357 HA PHE 46 HA PHE 46 -13.303 1.302 -7.551 358 1HB PHE 46 2HB PHE 46 -10.855 0.933 -5.999 359 2HB PHE 46 1HB PHE 46 -10.650 2.051 -7.344 360 HD1 PHE 46 1HD PHE 46 -12.159 1.505 -4.098 361 HD2 PHE 46 2HD PHE 46 -12.017 4.093 -7.473 362 HE1 PHE 46 1HE PHE 46 -13.221 3.285 -2.773 363 HE2 PHE 46 2HE PHE 46 -13.077 5.879 -6.154 364 HZ PHE 46 HZ PHE 46 -13.681 5.477 -3.800 365 H ASP 47 H ASP 47 -10.800 -1.014 -8.385 366 HA ASP 47 HA ASP 47 -10.086 0.240 -10.852 367 1HB ASP 47 2HB ASP 47 -9.044 -1.814 -9.268 368 2HB ASP 47 1HB ASP 47 -9.528 -2.606 -10.764 369 H LYS 48 H LYS 48 -12.611 -1.852 -9.840 370 HA LYS 48 HA LYS 48 -13.381 -2.268 -12.649 371 1HB LYS 48 2HB LYS 48 -13.293 -4.133 -10.359 372 2HB LYS 48 1HB LYS 48 -14.716 -4.247 -11.386 373 1HG LYS 48 2HG LYS 48 -11.848 -4.515 -12.259 374 2HG LYS 48 1HG LYS 48 -13.039 -5.811 -12.124 375 1HD LYS 48 2HD LYS 48 -13.139 -3.463 -14.017 376 2HD LYS 48 1HD LYS 48 -12.803 -5.143 -14.441 377 1HE LYS 48 2HE LYS 48 -15.218 -5.195 -13.033 378 2HE LYS 48 1HE LYS 48 -15.335 -3.804 -14.109 379 1HZ LYS 48 1HZ LYS 48 -14.244 -6.118 -15.399 380 2HZ LYS 48 2HZ LYS 48 -15.526 -5.123 -15.875 381 3HZ LYS 48 3HZ LYS 48 -15.800 -6.394 -14.793 382 H LYS 49 H LYS 49 -14.065 -0.287 -10.334 383 HA LYS 49 HA LYS 49 -16.966 -0.408 -10.783 384 1HB LYS 49 2HB LYS 49 -15.832 -0.903 -8.360 385 2HB LYS 49 1HB LYS 49 -16.098 0.832 -8.257 386 1HG LYS 49 2HG LYS 49 -18.481 -0.092 -9.263 387 2HG LYS 49 1HG LYS 49 -18.000 -1.362 -8.136 388 1HD LYS 49 2HD LYS 49 -17.999 1.559 -7.406 389 2HD LYS 49 1HD LYS 49 -19.401 0.513 -7.171 390 1HE LYS 49 2HE LYS 49 -16.918 -0.617 -6.132 391 2HE LYS 49 1HE LYS 49 -17.367 0.907 -5.367 392 1HZ LYS 49 1HZ LYS 49 -19.702 -0.486 -5.464 393 2HZ LYS 49 2HZ LYS 49 -18.705 -0.324 -4.108 394 3HZ LYS 49 3HZ LYS 49 -18.561 -1.683 -5.105 395 H TYR 50 H TYR 50 -14.338 1.245 -11.572 396 HA TYR 50 HA TYR 50 -15.827 3.722 -11.894 397 1HB TYR 50 2HB TYR 50 -13.148 3.610 -10.496 398 2HB TYR 50 1HB TYR 50 -13.925 5.090 -11.049 399 HD1 TYR 50 1HD TYR 50 -16.143 5.745 -10.029 400 HD2 TYR 50 2HD TYR 50 -13.713 2.646 -8.423 401 HE1 TYR 50 1HE TYR 50 -17.357 5.907 -7.898 402 HE2 TYR 50 2HE TYR 50 -14.921 2.798 -6.286 403 HH TYR 50 HH TYR 50 -16.262 4.501 -5.046 404 H ASN 51 H ASN 51 -12.443 2.627 -12.233 405 HA ASN 51 HA ASN 51 -12.279 2.147 -14.887 406 1HB ASN 51 2HB ASN 51 -13.132 4.184 -15.637 407 2HB ASN 51 1HB ASN 51 -12.351 5.098 -14.351 408 1HD2 ASN 51 1HD2 ASN 51 -11.358 2.905 -16.966 409 2HD2 ASN 51 2HD2 ASN 51 -10.073 3.906 -17.543 410 HA PRO 52 HA PRO 52 -8.397 1.133 -12.749 411 1HB PRO 52 2HB PRO 52 -7.915 0.605 -15.665 412 2HB PRO 52 1HB PRO 52 -7.396 -0.334 -14.259 413 1HG PRO 52 2HG PRO 52 -9.528 -1.072 -15.683 414 2HG PRO 52 1HG PRO 52 -9.499 -1.241 -13.919 415 1HD PRO 52 2HD PRO 52 -11.023 0.649 -15.599 416 2HD PRO 52 1HD PRO 52 -11.347 0.093 -13.946 417 H THR 53 H THR 53 -5.906 3.503 -13.600 418 HA THR 53 HA THR 53 -6.793 0.983 -12.368 419 HB THR 53 HB THR 53 -4.016 2.027 -12.935 420 HG1 THR 53 1HG THR 53 -5.513 -0.207 -13.800 421 1HG2 THR 53 1HG2 THR 53 -4.375 0.815 -10.655 422 2HG2 THR 53 2HG2 THR 53 -3.015 0.391 -11.695 423 3HG2 THR 53 3HG2 THR 53 -4.456 -0.626 -11.667 424 H TRP 54 H TRP 54 -6.781 0.804 -10.151 425 HA TRP 54 HA TRP 54 -6.386 3.335 -8.721 426 1HB TRP 54 2HB TRP 54 -8.056 0.918 -8.029 427 2HB TRP 54 1HB TRP 54 -7.860 2.322 -6.982 428 HD1 TRP 54 HD TRP 54 -9.361 1.341 -10.388 429 HE1 TRP 54 1HE TRP 54 -11.177 3.055 -10.993 430 HE3 TRP 54 3HE TRP 54 -8.689 4.628 -6.532 431 HZ2 TRP 54 2HZ TRP 54 -12.201 5.484 -9.967 432 HZ3 TRP 54 3HZ TRP 54 -10.125 6.622 -6.415 433 HH2 TRP 54 HH TRP 54 -11.844 7.040 -8.099 434 H HIS 55 H HIS 55 -5.277 3.487 -6.850 435 HA HIS 55 HA HIS 55 -3.799 1.154 -5.868 436 1HB HIS 55 2HB HIS 55 -2.380 3.783 -6.011 437 2HB HIS 55 1HB HIS 55 -1.716 2.151 -6.035 438 HD1 HIS 55 1HD HIS 55 -1.483 1.000 -8.310 439 HD2 HIS 55 2HD HIS 55 -3.231 4.764 -8.520 440 HE1 HIS 55 1HE HIS 55 -1.533 1.582 -10.755 441 HE2 HIS 55 2HE HIS 55 -2.691 3.817 -10.864 442 H CYS 56 H CYS 56 -4.822 0.993 -3.946 443 HA CYS 56 HA CYS 56 -4.971 3.430 -2.294 444 1HB CYS 56 2HB CYS 56 -7.174 3.024 -2.332 445 2HB CYS 56 1HB CYS 56 -6.950 1.388 -2.943 446 HG CYS 56 HG CYS 56 -6.302 1.459 -0.017 447 H ILE 57 H ILE 57 -5.065 3.038 0.039 448 HA ILE 57 HA ILE 57 -3.513 0.701 0.924 449 HB ILE 57 HB ILE 57 -3.000 3.478 1.983 450 1HG1 ILE 57 2HG1 ILE 57 -2.356 3.318 -0.413 451 2HG1 ILE 57 1HG1 ILE 57 -0.974 3.546 0.654 452 1HG2 ILE 57 1HG2 ILE 57 -2.290 2.012 3.614 453 2HG2 ILE 57 2HG2 ILE 57 -0.822 2.209 2.656 454 3HG2 ILE 57 3HG2 ILE 57 -1.825 0.772 2.449 455 1HD1 ILE 57 1HD1 ILE 57 -0.729 1.871 -1.230 456 2HD1 ILE 57 2HD1 ILE 57 -1.813 0.834 -0.304 457 3HD1 ILE 57 3HD1 ILE 57 -0.268 1.331 0.384 458 H VAL 58 H VAL 58 -3.572 0.571 3.413 459 HA VAL 58 HA VAL 58 -5.731 1.854 4.767 460 HB VAL 58 HB VAL 58 -7.119 0.355 3.507 461 1HG1 VAL 58 1HG1 VAL 58 -6.248 -2.182 4.527 462 2HG1 VAL 58 2HG1 VAL 58 -4.927 -1.378 3.679 463 3HG1 VAL 58 3HG1 VAL 58 -6.460 -1.661 2.855 464 1HG2 VAL 58 1HG2 VAL 58 -6.752 -0.601 6.344 465 2HG2 VAL 58 2HG2 VAL 58 -8.158 -0.938 5.335 466 3HG2 VAL 58 3HG2 VAL 58 -7.785 0.721 5.803 467 H GLY 59 H GLY 59 -4.954 2.092 6.752 468 1HA GLY 59 2HA GLY 59 -3.870 -0.219 8.157 469 2HA GLY 59 1HA GLY 59 -2.777 1.140 7.941 470 H ARG 60 H ARG 60 -2.673 1.397 10.230 471 HA ARG 60 HA ARG 60 -4.741 3.130 11.232 472 1HB ARG 60 2HB ARG 60 -4.726 1.591 13.388 473 2HB ARG 60 1HB ARG 60 -5.863 1.342 12.071 474 1HG ARG 60 2HG ARG 60 -3.827 -0.198 11.229 475 2HG ARG 60 1HG ARG 60 -3.616 -0.326 12.976 476 1HD ARG 60 2HD ARG 60 -5.858 -1.248 11.254 477 2HD ARG 60 1HD ARG 60 -5.074 -2.053 12.611 478 HE ARG 60 HE ARG 60 -7.251 -0.130 12.740 479 1HH1 ARG 60 1HH1 ARG 60 -4.860 -2.009 14.435 480 2HH1 ARG 60 2HH1 ARG 60 -5.660 -1.887 15.965 481 1HH2 ARG 60 1HH2 ARG 60 -8.314 0.038 14.754 482 2HH2 ARG 60 2HH2 ARG 60 -7.622 -0.724 16.147 483 H ASN 61 H ASN 61 -1.914 3.335 10.628 484 HA ASN 61 HA ASN 61 -0.984 4.972 12.568 485 1HB ASN 61 2HB ASN 61 -1.210 2.749 13.943 486 2HB ASN 61 1HB ASN 61 0.320 2.340 13.174 487 1HD2 ASN 61 1HD2 ASN 61 1.095 5.198 13.100 488 2HD2 ASN 61 2HD2 ASN 61 1.590 5.574 14.712 489 H PHE 62 H PHE 62 -0.808 4.241 9.740 490 HA PHE 62 HA PHE 62 2.102 4.007 9.424 491 1HB PHE 62 2HB PHE 62 1.772 3.051 7.337 492 2HB PHE 62 1HB PHE 62 0.399 2.429 8.243 493 HD1 PHE 62 1HD PHE 62 -1.160 5.116 8.154 494 HD2 PHE 62 2HD PHE 62 0.780 2.754 5.193 495 HE1 PHE 62 1HE PHE 62 -2.685 6.012 6.444 496 HE2 PHE 62 2HE PHE 62 -0.739 3.648 3.478 497 HZ PHE 62 HZ PHE 62 -2.478 5.278 4.103 498 H GLY 63 H GLY 63 2.900 5.194 7.369 499 1HA GLY 63 2HA GLY 63 1.712 7.897 7.309 500 2HA GLY 63 1HA GLY 63 3.449 7.645 7.406 501 H SER 64 H SER 64 0.657 7.618 5.363 502 HA SER 64 HA SER 64 2.066 6.562 3.084 503 1HB SER 64 2HB SER 64 -0.031 7.065 1.853 504 2HB SER 64 1HB SER 64 -0.299 6.084 3.292 505 HG SER 64 HG SER 64 -1.272 7.736 4.264 506 H TYR 65 H TYR 65 3.277 7.650 1.729 507 HA TYR 65 HA TYR 65 2.785 10.511 1.314 508 1HB TYR 65 2HB TYR 65 4.793 9.838 2.906 509 2HB TYR 65 1HB TYR 65 5.610 9.541 1.374 510 HD1 TYR 65 1HD TYR 65 6.403 11.337 0.044 511 HD2 TYR 65 2HD TYR 65 3.914 12.128 3.401 512 HE1 TYR 65 1HE TYR 65 6.908 13.735 -0.155 513 HE2 TYR 65 2HE TYR 65 4.411 14.529 3.211 514 HH TYR 65 HH TYR 65 5.765 16.057 2.238 515 H VAL 66 H VAL 66 1.703 9.173 -0.491 516 HA VAL 66 HA VAL 66 3.609 8.495 -2.614 517 HB VAL 66 HB VAL 66 1.641 7.503 -3.768 518 1HG1 VAL 66 1HG1 VAL 66 1.511 6.172 -1.158 519 2HG1 VAL 66 2HG1 VAL 66 3.145 6.453 -1.758 520 3HG1 VAL 66 3HG1 VAL 66 1.993 5.541 -2.733 521 1HG2 VAL 66 1HG2 VAL 66 -0.432 7.954 -3.116 522 2HG2 VAL 66 2HG2 VAL 66 0.214 8.995 -1.848 523 3HG2 VAL 66 3HG2 VAL 66 -0.102 7.292 -1.516 524 H THR 67 H THR 67 3.450 9.392 -4.678 525 HA THR 67 HA THR 67 2.280 12.059 -4.730 526 HB THR 67 HB THR 67 4.261 10.610 -6.469 527 HG1 THR 67 1HG THR 67 4.917 13.091 -5.716 528 1HG2 THR 67 1HG2 THR 67 3.608 13.425 -7.091 529 2HG2 THR 67 2HG2 THR 67 2.524 12.177 -7.706 530 3HG2 THR 67 3HG2 THR 67 4.236 12.145 -8.129 531 H HIS 68 H HIS 68 0.082 11.166 -4.787 532 HA HIS 68 HA HIS 68 -0.953 9.564 -6.801 533 1HB HIS 68 2HB HIS 68 -3.137 10.598 -6.272 534 2HB HIS 68 1HB HIS 68 -2.243 10.150 -4.822 535 HD1 HIS 68 1HD HIS 68 -1.068 12.176 -3.527 536 HD2 HIS 68 2HD HIS 68 -3.855 13.233 -6.422 537 HE1 HIS 68 1HE HIS 68 -1.653 14.576 -3.053 538 HE2 HIS 68 2HE HIS 68 -3.405 15.166 -4.765 539 H GLU 69 H GLU 69 -2.580 10.355 -8.481 540 HA GLU 69 HA GLU 69 -1.918 12.893 -9.721 541 1HB GLU 69 2HB GLU 69 -1.702 11.365 -11.942 542 2HB GLU 69 1HB GLU 69 -0.324 11.928 -11.004 543 1HG GLU 69 2HG GLU 69 -0.643 9.727 -9.679 544 2HG GLU 69 1HG GLU 69 -1.574 9.218 -11.087 545 H THR 70 H THR 70 -3.246 13.181 -11.782 546 HA THR 70 HA THR 70 -5.219 13.083 -12.938 547 HB THR 70 HB THR 70 -6.499 10.950 -11.379 548 HG1 THR 70 1HG THR 70 -5.032 9.445 -11.631 549 1HG2 THR 70 1HG2 THR 70 -5.777 10.560 -14.203 550 2HG2 THR 70 2HG2 THR 70 -6.864 11.903 -13.851 551 3HG2 THR 70 3HG2 THR 70 -7.299 10.265 -13.362 552 H LYS 71 H LYS 71 -6.984 11.686 -10.346 553 HA LYS 71 HA LYS 71 -7.456 13.883 -8.699 554 1HB LYS 71 2HB LYS 71 -9.931 14.142 -9.777 555 2HB LYS 71 1HB LYS 71 -8.588 15.225 -10.119 556 1HG LYS 71 2HG LYS 71 -8.200 14.302 -12.201 557 2HG LYS 71 1HG LYS 71 -9.003 12.785 -11.790 558 1HD LYS 71 2HD LYS 71 -11.144 14.180 -11.616 559 2HD LYS 71 1HD LYS 71 -10.239 15.443 -12.452 560 1HE LYS 71 2HE LYS 71 -11.252 12.847 -13.451 561 2HE LYS 71 1HE LYS 71 -11.137 14.406 -14.265 562 1HZ LYS 71 1HZ LYS 71 -8.857 12.588 -13.701 563 2HZ LYS 71 2HZ LYS 71 -8.761 14.073 -14.505 564 3HZ LYS 71 3HZ LYS 71 -9.606 12.785 -15.205 565 H HIS 72 H HIS 72 -7.291 10.948 -8.784 566 HA HIS 72 HA HIS 72 -9.802 10.361 -7.364 567 1HB HIS 72 2HB HIS 72 -8.239 8.423 -9.081 568 2HB HIS 72 1HB HIS 72 -9.723 8.070 -8.205 569 HD1 HIS 72 1HD HIS 72 -11.833 8.373 -9.478 570 HD2 HIS 72 2HD HIS 72 -8.662 10.433 -11.202 571 HE1 HIS 72 1HE HIS 72 -12.731 9.307 -11.634 572 HE2 HIS 72 2HE HIS 72 -10.818 10.620 -12.618 573 H PHE 73 H PHE 73 -7.851 11.336 -5.879 574 HA PHE 73 HA PHE 73 -6.722 8.980 -4.521 575 1HB PHE 73 2HB PHE 73 -4.753 9.894 -5.275 576 2HB PHE 73 1HB PHE 73 -5.410 11.523 -5.347 577 HD1 PHE 73 1HD PHE 73 -4.214 8.925 -2.973 578 HD2 PHE 73 2HD PHE 73 -4.941 13.062 -3.666 579 HE1 PHE 73 1HE PHE 73 -3.067 9.475 -0.868 580 HE2 PHE 73 2HE PHE 73 -3.795 13.619 -1.561 581 HZ PHE 73 HZ PHE 73 -2.855 11.825 -0.160 582 H ILE 74 H ILE 74 -7.713 8.731 -2.628 583 HA ILE 74 HA ILE 74 -8.402 11.150 -1.092 584 HB ILE 74 HB ILE 74 -10.431 10.100 -2.017 585 1HG1 ILE 74 2HG1 ILE 74 -9.940 10.114 0.950 586 2HG1 ILE 74 1HG1 ILE 74 -10.800 11.295 -0.027 587 1HG2 ILE 74 1HG2 ILE 74 -10.443 7.781 -0.278 588 2HG2 ILE 74 2HG2 ILE 74 -9.122 7.722 -1.445 589 3HG2 ILE 74 3HG2 ILE 74 -10.786 7.899 -2.005 590 1HD1 ILE 74 1HD1 ILE 74 -12.456 9.299 -0.410 591 2HD1 ILE 74 2HD1 ILE 74 -12.532 10.282 1.053 592 3HD1 ILE 74 3HD1 ILE 74 -11.738 8.707 1.088 593 H TYR 75 H TYR 75 -7.886 11.169 1.027 594 HA TYR 75 HA TYR 75 -6.834 8.687 2.205 595 1HB TYR 75 2HB TYR 75 -5.009 10.295 1.561 596 2HB TYR 75 1HB TYR 75 -5.697 11.444 2.705 597 HD1 TYR 75 1HD TYR 75 -4.679 7.839 2.681 598 HD2 TYR 75 2HD TYR 75 -4.664 11.553 4.759 599 HE1 TYR 75 1HE TYR 75 -3.368 6.815 4.491 600 HE2 TYR 75 2HE TYR 75 -3.352 10.539 6.574 601 HH TYR 75 HH TYR 75 -1.690 7.775 6.320 602 H PHE 76 H PHE 76 -8.064 8.109 3.855 603 HA PHE 76 HA PHE 76 -9.030 10.173 5.699 604 1HB PHE 76 2HB PHE 76 -11.213 8.798 5.817 605 2HB PHE 76 1HB PHE 76 -10.982 9.877 4.446 606 HD1 PHE 76 1HD PHE 76 -10.089 8.857 2.280 607 HD2 PHE 76 2HD PHE 76 -11.670 6.544 5.483 608 HE1 PHE 76 1HE PHE 76 -10.462 6.980 0.734 609 HE2 PHE 76 2HE PHE 76 -12.042 4.661 3.944 610 HZ PHE 76 HZ PHE 76 -11.439 4.878 1.565 611 H TYR 77 H TYR 77 -9.823 9.266 7.759 612 HA TYR 77 HA TYR 77 -8.448 6.749 8.434 613 1HB TYR 77 2HB TYR 77 -7.194 8.471 9.492 614 2HB TYR 77 1HB TYR 77 -8.650 9.312 10.012 615 HD1 TYR 77 1HD TYR 77 -9.959 8.469 11.920 616 HD2 TYR 77 2HD TYR 77 -6.313 6.616 10.746 617 HE1 TYR 77 1HE TYR 77 -9.857 7.306 14.086 618 HE2 TYR 77 2HE TYR 77 -6.203 5.451 12.906 619 HH TYR 77 HH TYR 77 -7.975 6.302 15.549 620 H LEU 78 H LEU 78 -10.242 5.438 8.267 621 HA LEU 78 HA LEU 78 -12.828 5.867 8.980 622 1HB LEU 78 2HB LEU 78 -11.101 3.428 9.150 623 2HB LEU 78 1HB LEU 78 -12.750 3.364 9.738 624 HG LEU 78 HG LEU 78 -12.313 2.562 7.352 625 1HD1 LEU 78 1HD1 LEU 78 -14.416 3.708 6.525 626 2HD1 LEU 78 2HD1 LEU 78 -14.418 4.582 8.057 627 3HD1 LEU 78 3HD1 LEU 78 -14.543 2.824 8.045 628 1HD2 LEU 78 1HD2 LEU 78 -12.708 4.989 6.022 629 2HD2 LEU 78 2HD2 LEU 78 -11.277 3.958 5.972 630 3HD2 LEU 78 3HD2 LEU 78 -11.378 5.274 7.143 631 H GLY 79 H GLY 79 -13.978 4.788 10.934 632 1HA GLY 79 2HA GLY 79 -13.854 6.196 13.170 633 2HA GLY 79 1HA GLY 79 -14.169 4.469 13.244 634 H GLN 80 H GLN 80 -11.599 3.564 12.474 635 HA GLN 80 HA GLN 80 -9.687 4.711 14.320 636 1HB GLN 80 2HB GLN 80 -9.394 2.243 15.247 637 2HB GLN 80 1HB GLN 80 -10.517 3.377 15.986 638 1HG GLN 80 2HG GLN 80 -12.096 2.240 14.102 639 2HG GLN 80 1HG GLN 80 -11.029 0.897 14.509 640 1HE2 GLN 80 1HE2 GLN 80 -11.726 3.340 16.849 641 2HE2 GLN 80 2HE2 GLN 80 -12.765 2.387 17.848 642 H VAL 81 H VAL 81 -10.088 3.995 11.413 643 HA VAL 81 HA VAL 81 -7.504 2.635 11.063 644 HB VAL 81 HB VAL 81 -9.927 2.091 9.342 645 1HG1 VAL 81 1HG1 VAL 81 -8.576 0.333 8.361 646 2HG1 VAL 81 2HG1 VAL 81 -7.234 0.735 9.434 647 3HG1 VAL 81 3HG1 VAL 81 -7.756 1.886 8.204 648 1HG2 VAL 81 1HG2 VAL 81 -9.167 -0.263 10.611 649 2HG2 VAL 81 2HG2 VAL 81 -10.599 0.707 10.954 650 3HG2 VAL 81 3HG2 VAL 81 -9.118 0.962 11.878 651 H ALA 82 H ALA 82 -6.919 2.832 8.559 652 HA ALA 82 HA ALA 82 -7.659 5.493 7.584 653 1HB ALA 82 1HB ALA 82 -5.610 5.830 8.824 654 2HB ALA 82 2HB ALA 82 -5.294 5.997 7.097 655 3HB ALA 82 3HB ALA 82 -4.827 4.520 7.941 656 H ILE 83 H ILE 83 -7.304 5.807 5.325 657 HA ILE 83 HA ILE 83 -6.585 3.439 3.773 658 HB ILE 83 HB ILE 83 -8.991 4.840 2.786 659 1HG1 ILE 83 2HG1 ILE 83 -9.376 4.582 5.271 660 2HG1 ILE 83 1HG1 ILE 83 -10.539 3.748 4.246 661 1HG2 ILE 83 1HG2 ILE 83 -9.408 2.858 1.737 662 2HG2 ILE 83 2HG2 ILE 83 -8.728 1.892 3.045 663 3HG2 ILE 83 3HG2 ILE 83 -7.660 2.730 1.921 664 1HD1 ILE 83 1HD1 ILE 83 -8.683 1.806 4.653 665 2HD1 ILE 83 2HD1 ILE 83 -10.156 2.017 5.599 666 3HD1 ILE 83 3HD1 ILE 83 -8.630 2.682 6.182 667 H LEU 84 H LEU 84 -5.192 4.013 2.272 668 HA LEU 84 HA LEU 84 -5.161 6.793 1.324 669 1HB LEU 84 2HB LEU 84 -3.078 6.169 2.296 670 2HB LEU 84 1HB LEU 84 -3.049 4.650 1.420 671 HG LEU 84 HG LEU 84 -2.940 6.134 -0.703 672 1HD1 LEU 84 1HD1 LEU 84 -3.102 8.318 -0.280 673 2HD1 LEU 84 2HD1 LEU 84 -1.434 8.204 0.283 674 3HD1 LEU 84 3HD1 LEU 84 -2.763 8.102 1.437 675 1HD2 LEU 84 1HD2 LEU 84 -1.047 4.902 -0.404 676 2HD2 LEU 84 2HD2 LEU 84 -0.803 5.469 1.247 677 3HD2 LEU 84 3HD2 LEU 84 -0.385 6.511 -0.113 678 H LEU 85 H LEU 85 -6.743 6.637 -0.258 679 HA LEU 85 HA LEU 85 -6.393 4.667 -2.386 680 1HB LEU 85 2HB LEU 85 -8.620 5.997 -1.213 681 2HB LEU 85 1HB LEU 85 -8.556 6.439 -2.909 682 HG LEU 85 HG LEU 85 -8.301 3.853 -3.273 683 1HD1 LEU 85 1HD1 LEU 85 -9.749 3.956 -0.633 684 2HD1 LEU 85 2HD1 LEU 85 -8.102 3.366 -0.864 685 3HD1 LEU 85 3HD1 LEU 85 -9.453 2.527 -1.625 686 1HD2 LEU 85 1HD2 LEU 85 -10.297 4.178 -4.186 687 2HD2 LEU 85 2HD2 LEU 85 -10.444 5.687 -3.287 688 3HD2 LEU 85 3HD2 LEU 85 -11.053 4.185 -2.593 689 H PHE 86 H PHE 86 -5.957 5.159 -4.490 690 HA PHE 86 HA PHE 86 -6.069 7.658 -5.698 691 1HB PHE 86 2HB PHE 86 -3.788 8.446 -5.687 692 2HB PHE 86 1HB PHE 86 -4.335 8.262 -4.026 693 HD1 PHE 86 1HD PHE 86 -2.131 6.947 -6.631 694 HD2 PHE 86 2HD PHE 86 -3.378 6.597 -2.576 695 HE1 PHE 86 1HE PHE 86 -0.175 5.532 -6.155 696 HE2 PHE 86 2HE PHE 86 -1.425 5.182 -2.094 697 HZ PHE 86 HZ PHE 86 0.180 4.647 -3.884 698 H LYS 87 H LYS 87 -5.697 7.524 -7.856 699 HA LYS 87 HA LYS 87 -4.839 4.911 -8.875 700 1HB LYS 87 2HB LYS 87 -5.891 7.013 -10.694 701 2HB LYS 87 1HB LYS 87 -6.162 5.280 -10.711 702 1HG LYS 87 2HG LYS 87 -7.551 5.690 -8.585 703 2HG LYS 87 1HG LYS 87 -7.534 7.381 -9.087 704 1HD LYS 87 2HD LYS 87 -8.606 5.025 -10.638 705 2HD LYS 87 1HD LYS 87 -9.534 6.353 -9.936 706 1HE LYS 87 2HE LYS 87 -8.185 7.890 -11.450 707 2HE LYS 87 1HE LYS 87 -7.642 6.430 -12.275 708 1HZ LYS 87 1HZ LYS 87 -10.519 6.784 -11.888 709 2HZ LYS 87 2HZ LYS 87 -9.682 6.063 -13.168 710 3HZ LYS 87 3HZ LYS 87 -9.762 7.748 -13.054 711 H SER 88 H SER 88 -3.732 5.109 -11.134 712 HA SER 88 HA SER 88 -1.691 7.221 -11.022 713 1HB SER 88 2HB SER 88 -1.177 4.575 -10.491 714 2HB SER 88 1HB SER 88 -0.789 4.696 -12.206 715 HG SER 88 HG SER 88 0.243 6.341 -10.135 716 H GLY 89 H GLY 89 -4.221 6.589 -12.556 717 1HA GLY 89 2HA GLY 89 -3.826 5.955 -15.194 718 2HA GLY 89 1HA GLY 89 -4.998 7.147 -14.654 719 1H MET 1 1HT MET 1 20.687 -2.263 14.295 720 2H MET 1 2HT MET 1 22.251 -1.862 13.715 721 3H MET 1 3HT MET 1 20.857 -1.274 12.905 722 HA MET 1 HA MET 1 20.417 -0.365 15.336 723 1HB MET 1 2HB MET 1 23.404 -0.459 14.880 724 2HB MET 1 1HB MET 1 22.632 0.590 16.060 725 1HG MET 1 2HG MET 1 22.557 -2.418 16.032 726 2HG MET 1 1HG MET 1 23.504 -1.403 17.119 727 1HE MET 1 1HE MET 1 22.433 0.454 18.518 728 2HE MET 1 2HE MET 1 22.495 -0.911 19.634 729 3HE MET 1 3HE MET 1 21.045 0.090 19.545 730 H CYS 2 H CYS 2 21.400 -0.116 12.163 731 HA CYS 2 HA CYS 2 20.584 2.656 12.039 732 1HB CYS 2 2HB CYS 2 23.331 2.047 12.168 733 2HB CYS 2 1HB CYS 2 23.003 2.448 10.486 734 HG CYS 2 HG CYS 2 21.897 4.534 12.392 735 H ASP 3 H ASP 3 22.616 1.062 9.662 736 HA ASP 3 HA ASP 3 20.858 1.496 7.534 737 1HB ASP 3 2HB ASP 3 22.307 -0.519 6.545 738 2HB ASP 3 1HB ASP 3 22.967 1.102 6.742 739 H ARG 4 H ARG 4 19.423 0.174 6.427 740 HA ARG 4 HA ARG 4 17.815 -1.412 6.159 741 1HB ARG 4 2HB ARG 4 20.149 -2.809 6.804 742 2HB ARG 4 1HB ARG 4 18.914 -3.498 7.848 743 1HG ARG 4 2HG ARG 4 18.541 -4.827 6.078 744 2HG ARG 4 1HG ARG 4 17.580 -3.459 5.513 745 1HD ARG 4 2HD ARG 4 18.874 -3.794 3.665 746 2HD ARG 4 1HD ARG 4 19.915 -2.680 4.548 747 HE ARG 4 HE ARG 4 21.458 -4.344 4.423 748 1HH1 ARG 4 1HH1 ARG 4 18.327 -5.790 4.900 749 2HH1 ARG 4 2HH1 ARG 4 18.945 -7.403 5.014 750 1HH2 ARG 4 1HH2 ARG 4 22.282 -6.464 4.568 751 2HH2 ARG 4 2HH2 ARG 4 21.195 -7.787 4.826 752 H LYS 5 H LYS 5 18.578 -2.976 9.150 753 HA LYS 5 HA LYS 5 17.326 -3.321 11.023 754 1HB LYS 5 2HB LYS 5 18.344 -1.098 11.478 755 2HB LYS 5 1HB LYS 5 16.904 -0.335 10.818 756 1HG LYS 5 2HG LYS 5 16.772 -0.324 13.210 757 2HG LYS 5 1HG LYS 5 15.561 -1.441 12.576 758 1HD LYS 5 2HD LYS 5 18.153 -2.684 13.134 759 2HD LYS 5 1HD LYS 5 17.356 -2.014 14.560 760 1HE LYS 5 2HE LYS 5 15.491 -3.450 12.882 761 2HE LYS 5 1HE LYS 5 16.850 -4.472 13.348 762 1HZ LYS 5 1HZ LYS 5 16.390 -3.596 15.691 763 2HZ LYS 5 2HZ LYS 5 15.325 -4.746 15.056 764 3HZ LYS 5 3HZ LYS 5 14.886 -3.114 15.083 765 H ALA 6 H ALA 6 15.928 -3.538 8.476 766 HA ALA 6 HA ALA 6 13.194 -2.998 9.422 767 1HB ALA 6 1HB ALA 6 12.555 -2.110 7.453 768 2HB ALA 6 2HB ALA 6 13.588 -3.186 6.511 769 3HB ALA 6 3HB ALA 6 14.275 -1.758 7.287 770 H VAL 7 H VAL 7 11.803 -4.338 7.475 771 HA VAL 7 HA VAL 7 12.835 -7.043 7.282 772 HB VAL 7 HB VAL 7 10.270 -6.472 8.772 773 1HG1 VAL 7 1HG1 VAL 7 11.482 -8.942 7.654 774 2HG1 VAL 7 2HG1 VAL 7 9.788 -8.470 7.786 775 3HG1 VAL 7 3HG1 VAL 7 10.655 -9.052 9.208 776 1HG2 VAL 7 1HG2 VAL 7 12.035 -8.005 10.328 777 2HG2 VAL 7 2HG2 VAL 7 11.527 -6.339 10.601 778 3HG2 VAL 7 3HG2 VAL 7 12.986 -6.676 9.669 779 H ILE 8 H ILE 8 12.693 -6.184 5.039 780 HA ILE 8 HA ILE 8 10.522 -5.370 3.657 781 HB ILE 8 HB ILE 8 12.852 -7.053 2.926 782 1HG1 ILE 8 2HG1 ILE 8 12.677 -5.213 1.011 783 2HG1 ILE 8 1HG1 ILE 8 11.651 -4.426 2.205 784 1HG2 ILE 8 1HG2 ILE 8 12.064 -7.366 0.609 785 2HG2 ILE 8 2HG2 ILE 8 10.465 -6.807 1.097 786 3HG2 ILE 8 3HG2 ILE 8 11.121 -8.298 1.775 787 1HD1 ILE 8 1HD1 ILE 8 13.398 -3.792 3.417 788 2HD1 ILE 8 2HD1 ILE 8 14.390 -4.258 2.035 789 3HD1 ILE 8 3HD1 ILE 8 14.126 -5.397 3.356 790 H LYS 9 H LYS 9 8.982 -6.470 2.280 791 HA LYS 9 HA LYS 9 8.283 -9.208 2.897 792 1HB LYS 9 2HB LYS 9 6.025 -7.330 3.311 793 2HB LYS 9 1HB LYS 9 6.350 -8.882 4.070 794 1HG LYS 9 2HG LYS 9 8.357 -7.057 4.903 795 2HG LYS 9 1HG LYS 9 6.784 -6.284 5.101 796 1HD LYS 9 2HD LYS 9 6.099 -8.550 6.174 797 2HD LYS 9 1HD LYS 9 7.839 -8.789 6.356 798 1HE LYS 9 2HE LYS 9 7.497 -7.727 8.318 799 2HE LYS 9 1HE LYS 9 7.619 -6.287 7.307 800 1HZ LYS 9 1HZ LYS 9 5.666 -5.848 8.339 801 2HZ LYS 9 2HZ LYS 9 5.273 -7.476 8.573 802 3HZ LYS 9 3HZ LYS 9 5.046 -6.762 7.057 803 H ASN 10 H ASN 10 8.314 -6.499 0.938 804 HA ASN 10 HA ASN 10 7.233 -7.918 -1.296 805 1HB ASN 10 2HB ASN 10 5.427 -6.340 0.248 806 2HB ASN 10 1HB ASN 10 5.695 -5.514 -1.284 807 1HD2 ASN 10 1HD2 ASN 10 6.141 -7.797 -2.874 808 2HD2 ASN 10 2HD2 ASN 10 4.642 -8.642 -3.028 809 H ALA 11 H ALA 11 9.359 -7.422 -2.027 810 HA ALA 11 HA ALA 11 9.680 -4.613 -2.860 811 1HB ALA 11 1HB ALA 11 12.212 -5.305 -2.808 812 2HB ALA 11 2HB ALA 11 11.634 -6.503 -1.651 813 3HB ALA 11 3HB ALA 11 11.382 -4.786 -1.342 814 H ASP 12 H ASP 12 8.760 -4.987 -4.901 815 HA ASP 12 HA ASP 12 9.967 -6.985 -6.631 816 1HB ASP 12 2HB ASP 12 7.446 -6.236 -6.537 817 2HB ASP 12 1HB ASP 12 7.999 -4.943 -7.598 818 H MET 13 H MET 13 11.445 -4.675 -5.564 819 HA MET 13 HA MET 13 12.180 -3.314 -8.068 820 1HB MET 13 2HB MET 13 11.600 -1.608 -6.611 821 2HB MET 13 1HB MET 13 12.169 -2.479 -5.197 822 1HG MET 13 2HG MET 13 14.468 -2.054 -6.660 823 2HG MET 13 1HG MET 13 13.545 -0.570 -6.887 824 1HE MET 13 1HE MET 13 12.581 0.206 -3.227 825 2HE MET 13 2HE MET 13 12.055 0.147 -4.909 826 3HE MET 13 3HE MET 13 13.276 1.317 -4.408 827 H SER 14 H SER 14 14.552 -2.706 -8.176 828 HA SER 14 HA SER 14 16.165 -4.936 -8.263 829 1HB SER 14 2HB SER 14 16.839 -2.975 -9.456 830 2HB SER 14 1HB SER 14 16.906 -2.019 -7.975 831 HG SER 14 HG SER 14 18.545 -4.285 -8.411 832 H GLU 15 H GLU 15 16.980 -6.204 -6.739 833 HA GLU 15 HA GLU 15 16.688 -6.173 -4.101 834 1HB GLU 15 2HB GLU 15 19.361 -6.852 -5.332 835 2HB GLU 15 1HB GLU 15 18.681 -7.503 -3.847 836 1HG GLU 15 2HG GLU 15 17.928 -9.197 -5.056 837 2HG GLU 15 1HG GLU 15 16.771 -8.073 -5.765 838 H GLU 16 H GLU 16 19.752 -4.902 -5.420 839 HA GLU 16 HA GLU 16 20.714 -3.688 -3.166 840 1HB GLU 16 2HB GLU 16 21.047 -2.124 -5.659 841 2HB GLU 16 1HB GLU 16 22.256 -2.690 -4.515 842 1HG GLU 16 2HG GLU 16 20.883 -4.731 -6.159 843 2HG GLU 16 1HG GLU 16 22.029 -3.667 -6.971 844 H MET 17 H MET 17 18.472 -2.310 -5.538 845 HA MET 17 HA MET 17 18.263 0.244 -4.397 846 1HB MET 17 2HB MET 17 16.637 -1.382 -6.283 847 2HB MET 17 1HB MET 17 15.851 -0.002 -5.531 848 1HG MET 17 2HG MET 17 18.246 -0.034 -7.330 849 2HG MET 17 1HG MET 17 16.703 0.785 -7.564 850 1HE MET 17 1HE MET 17 16.208 3.394 -5.998 851 2HE MET 17 2HE MET 17 16.940 3.184 -4.407 852 3HE MET 17 3HE MET 17 15.965 1.892 -5.107 853 H GLN 18 H GLN 18 16.706 -2.794 -3.622 854 HA GLN 18 HA GLN 18 14.655 -1.726 -1.980 855 1HB GLN 18 2HB GLN 18 15.620 -4.392 -1.242 856 2HB GLN 18 1HB GLN 18 14.010 -3.867 -1.715 857 1HG GLN 18 2HG GLN 18 15.558 -3.726 -4.036 858 2HG GLN 18 1HG GLN 18 16.010 -5.237 -3.247 859 1HE2 GLN 18 1HE2 GLN 18 13.157 -3.337 -4.135 860 2HE2 GLN 18 2HE2 GLN 18 12.166 -4.691 -4.542 861 H GLN 19 H GLN 19 17.905 -2.947 -1.306 862 HA GLN 19 HA GLN 19 17.721 -2.638 1.514 863 1HB GLN 19 2HB GLN 19 19.941 -3.102 -0.437 864 2HB GLN 19 1HB GLN 19 20.342 -2.602 1.201 865 1HG GLN 19 2HG GLN 19 20.134 -4.685 1.894 866 2HG GLN 19 1HG GLN 19 18.447 -4.696 1.381 867 1HE2 GLN 19 1HE2 GLN 19 20.657 -6.729 1.316 868 2HE2 GLN 19 2HE2 GLN 19 20.672 -7.299 -0.314 869 H ASP 20 H ASP 20 18.669 -0.619 -1.162 870 HA ASP 20 HA ASP 20 19.802 1.463 0.404 871 1HB ASP 20 2HB ASP 20 19.882 0.893 -2.232 872 2HB ASP 20 1HB ASP 20 18.633 2.132 -2.237 873 H SER 21 H SER 21 16.611 0.671 -0.765 874 HA SER 21 HA SER 21 15.381 3.165 -0.206 875 1HB SER 21 2HB SER 21 13.294 1.497 -0.054 876 2HB SER 21 1HB SER 21 14.025 1.942 -1.596 877 HG SER 21 HG SER 21 15.436 -0.058 -0.848 878 H VAL 22 H VAL 22 15.828 0.188 1.635 879 HA VAL 22 HA VAL 22 14.253 0.898 3.859 880 HB VAL 22 HB VAL 22 16.716 -0.834 3.999 881 1HG1 VAL 22 1HG1 VAL 22 14.132 -0.758 5.545 882 2HG1 VAL 22 2HG1 VAL 22 15.748 -0.372 6.139 883 3HG1 VAL 22 3HG1 VAL 22 15.343 -2.031 5.697 884 1HG2 VAL 22 1HG2 VAL 22 15.163 -2.727 3.458 885 2HG2 VAL 22 2HG2 VAL 22 15.514 -1.649 2.108 886 3HG2 VAL 22 3HG2 VAL 22 13.975 -1.524 2.961 887 H GLU 23 H GLU 23 17.720 1.288 3.190 888 HA GLU 23 HA GLU 23 18.388 2.485 5.654 889 1HB GLU 23 2HB GLU 23 19.693 2.851 2.945 890 2HB GLU 23 1HB GLU 23 20.410 3.291 4.489 891 1HG GLU 23 2HG GLU 23 19.995 0.767 5.051 892 2HG GLU 23 1HG GLU 23 19.974 0.600 3.296 893 H CYS 24 H CYS 24 17.030 3.727 2.685 894 HA CYS 24 HA CYS 24 17.376 6.493 3.332 895 1HB CYS 24 2HB CYS 24 16.960 5.394 1.007 896 2HB CYS 24 1HB CYS 24 15.261 5.464 1.460 897 HG CYS 24 HG CYS 24 15.543 8.097 1.612 898 H ALA 25 H ALA 25 14.873 4.077 3.785 899 HA ALA 25 HA ALA 25 12.871 5.867 4.746 900 1HB ALA 25 1HB ALA 25 12.216 3.480 5.871 901 2HB ALA 25 2HB ALA 25 13.222 2.948 4.524 902 3HB ALA 25 3HB ALA 25 11.797 3.942 4.221 903 H THR 26 H THR 26 15.463 3.978 6.060 904 HA THR 26 HA THR 26 14.933 4.330 8.804 905 HB THR 26 HB THR 26 17.546 3.886 7.355 906 HG1 THR 26 1HG THR 26 16.678 2.016 7.000 907 1HG2 THR 26 1HG2 THR 26 18.311 2.863 9.441 908 2HG2 THR 26 2HG2 THR 26 16.836 3.421 10.233 909 3HG2 THR 26 3HG2 THR 26 17.997 4.590 9.601 910 H GLN 27 H GLN 27 16.856 6.110 6.437 911 HA GLN 27 HA GLN 27 18.082 7.974 8.074 912 1HB GLN 27 2HB GLN 27 17.187 7.954 5.230 913 2HB GLN 27 1HB GLN 27 17.648 9.500 5.930 914 1HG GLN 27 2HG GLN 27 19.336 7.045 5.585 915 2HG GLN 27 1HG GLN 27 19.565 8.640 4.868 916 1HE2 GLN 27 1HE2 GLN 27 19.609 10.409 6.697 917 2HE2 GLN 27 2HE2 GLN 27 20.725 10.074 7.973 918 H ALA 28 H ALA 28 14.917 8.115 6.506 919 HA ALA 28 HA ALA 28 14.119 10.625 7.480 920 1HB ALA 28 1HB ALA 28 12.542 10.086 5.992 921 2HB ALA 28 2HB ALA 28 11.780 9.165 7.289 922 3HB ALA 28 3HB ALA 28 12.865 8.360 6.156 923 H LEU 29 H LEU 29 13.708 7.365 8.801 924 HA LEU 29 HA LEU 29 12.133 8.014 11.016 925 1HB LEU 29 2HB LEU 29 14.127 5.807 10.561 926 2HB LEU 29 1HB LEU 29 13.155 5.919 12.016 927 HG LEU 29 HG LEU 29 11.439 6.107 9.729 928 1HD1 LEU 29 1HD1 LEU 29 12.045 4.456 8.355 929 2HD1 LEU 29 2HD1 LEU 29 12.563 3.413 9.680 930 3HD1 LEU 29 3HD1 LEU 29 13.649 4.656 9.060 931 1HD2 LEU 29 1HD2 LEU 29 10.221 4.474 10.850 932 2HD2 LEU 29 2HD2 LEU 29 11.046 5.334 12.150 933 3HD2 LEU 29 3HD2 LEU 29 11.659 3.776 11.597 934 H GLU 30 H GLU 30 15.642 7.396 10.958 935 HA GLU 30 HA GLU 30 16.273 8.102 13.528 936 1HB GLU 30 2HB GLU 30 17.737 8.086 10.956 937 2HB GLU 30 1HB GLU 30 18.458 9.037 12.245 938 1HG GLU 30 2HG GLU 30 17.642 6.168 12.588 939 2HG GLU 30 1HG GLU 30 19.247 6.662 12.050 940 H LYS 31 H LYS 31 15.614 10.211 10.805 941 HA LYS 31 HA LYS 31 16.411 12.585 12.256 942 1HB LYS 31 2HB LYS 31 15.031 12.300 9.582 943 2HB LYS 31 1HB LYS 31 15.686 13.792 10.242 944 1HG LYS 31 2HG LYS 31 17.186 11.355 9.331 945 2HG LYS 31 1HG LYS 31 17.257 12.991 8.674 946 1HD LYS 31 2HD LYS 31 17.891 12.998 11.481 947 2HD LYS 31 1HD LYS 31 18.926 11.861 10.615 948 1HE LYS 31 2HE LYS 31 19.722 14.287 10.810 949 2HE LYS 31 1HE LYS 31 19.789 13.527 9.221 950 1HZ LYS 31 1HZ LYS 31 18.684 15.327 8.547 951 2HZ LYS 31 2HZ LYS 31 18.231 15.772 10.115 952 3HZ LYS 31 3HZ LYS 31 17.320 14.629 9.264 953 H TYR 32 H TYR 32 13.492 10.817 11.587 954 HA TYR 32 HA TYR 32 12.037 12.512 13.424 955 1HB TYR 32 2HB TYR 32 10.440 12.169 11.010 956 2HB TYR 32 1HB TYR 32 10.729 13.618 11.969 957 HD1 TYR 32 1HD TYR 32 11.604 11.792 8.974 958 HD2 TYR 32 2HD TYR 32 12.781 14.989 11.525 959 HE1 TYR 32 1HE TYR 32 13.054 12.673 7.195 960 HE2 TYR 32 2HE TYR 32 14.231 15.878 9.752 961 HH TYR 32 HH TYR 32 14.086 15.532 6.908 962 H ASN 33 H ASN 33 10.114 11.573 14.204 963 HA ASN 33 HA ASN 33 9.828 8.713 13.552 964 1HB ASN 33 2HB ASN 33 10.667 9.365 15.884 965 2HB ASN 33 1HB ASN 33 9.041 9.973 16.176 966 1HD2 ASN 33 1HD2 ASN 33 7.850 8.604 17.263 967 2HD2 ASN 33 2HD2 ASN 33 7.895 6.881 17.138 968 H ILE 34 H ILE 34 8.475 10.449 11.967 969 HA ILE 34 HA ILE 34 5.693 10.145 12.894 970 HB ILE 34 HB ILE 34 6.767 12.390 11.185 971 1HG1 ILE 34 2HG1 ILE 34 7.459 12.713 13.467 972 2HG1 ILE 34 1HG1 ILE 34 6.126 13.814 13.134 973 1HG2 ILE 34 1HG2 ILE 34 4.255 11.352 11.130 974 2HG2 ILE 34 2HG2 ILE 34 4.665 13.019 10.729 975 3HG2 ILE 34 3HG2 ILE 34 4.091 12.617 12.348 976 1HD1 ILE 34 1HD1 ILE 34 6.178 11.367 14.831 977 2HD1 ILE 34 2HD1 ILE 34 4.660 11.939 14.138 978 3HD1 ILE 34 3HD1 ILE 34 5.592 12.988 15.208 979 H GLU 35 H GLU 35 4.886 8.494 11.746 980 HA GLU 35 HA GLU 35 5.647 7.199 9.582 981 1HB GLU 35 2HB GLU 35 2.801 8.152 9.942 982 2HB GLU 35 1HB GLU 35 3.308 6.782 8.963 983 1HG GLU 35 2HG GLU 35 2.640 5.720 10.866 984 2HG GLU 35 1HG GLU 35 4.354 5.949 11.209 985 H LYS 36 H LYS 36 3.304 9.836 9.012 986 HA LYS 36 HA LYS 36 3.704 10.043 6.293 987 1HB LYS 36 2HB LYS 36 3.282 12.673 7.420 988 2HB LYS 36 1HB LYS 36 2.191 11.684 6.460 989 1HG LYS 36 2HG LYS 36 1.234 10.696 8.340 990 2HG LYS 36 1HG LYS 36 2.578 11.163 9.383 991 1HD LYS 36 2HD LYS 36 1.911 13.457 9.335 992 2HD LYS 36 1HD LYS 36 0.715 13.141 8.076 993 1HE LYS 36 2HE LYS 36 -0.634 13.188 9.927 994 2HE LYS 36 1HE LYS 36 -0.247 11.470 9.860 995 1HZ LYS 36 1HZ LYS 36 1.647 13.022 11.371 996 2HZ LYS 36 2HZ LYS 36 0.863 11.579 11.777 997 3HZ LYS 36 3HZ LYS 36 0.084 13.061 12.019 998 H ASP 37 H ASP 37 5.356 11.865 8.862 999 HA ASP 37 HA ASP 37 6.975 13.472 7.293 1000 1HB ASP 37 2HB ASP 37 6.679 13.162 9.944 1001 2HB ASP 37 1HB ASP 37 8.200 12.302 9.736 1002 H ILE 38 H ILE 38 8.033 10.437 8.841 1003 HA ILE 38 HA ILE 38 10.450 10.134 7.582 1004 HB ILE 38 HB ILE 38 8.572 7.851 8.200 1005 1HG1 ILE 38 2HG1 ILE 38 10.643 8.835 10.123 1006 2HG1 ILE 38 1HG1 ILE 38 9.102 9.683 10.027 1007 1HG2 ILE 38 1HG2 ILE 38 10.731 7.481 6.876 1008 2HG2 ILE 38 2HG2 ILE 38 10.458 6.475 8.299 1009 3HG2 ILE 38 3HG2 ILE 38 11.566 7.846 8.386 1010 1HD1 ILE 38 1HD1 ILE 38 8.955 8.091 11.779 1011 2HD1 ILE 38 2HD1 ILE 38 9.565 6.802 10.740 1012 3HD1 ILE 38 3HD1 ILE 38 7.971 7.497 10.441 1013 H ALA 39 H ALA 39 7.257 9.107 6.438 1014 HA ALA 39 HA ALA 39 8.018 7.745 4.137 1015 1HB ALA 39 1HB ALA 39 5.675 8.105 5.226 1016 2HB ALA 39 2HB ALA 39 5.804 7.848 3.486 1017 3HB ALA 39 3HB ALA 39 5.582 9.478 4.123 1018 H ALA 40 H ALA 40 7.329 11.195 4.595 1019 HA ALA 40 HA ALA 40 7.727 12.003 1.934 1020 1HB ALA 40 1HB ALA 40 8.351 13.714 4.325 1021 2HB ALA 40 2HB ALA 40 6.697 13.322 3.856 1022 3HB ALA 40 3HB ALA 40 7.740 14.211 2.746 1023 H HIS 41 H HIS 41 9.930 12.588 4.667 1024 HA HIS 41 HA HIS 41 12.168 13.439 3.494 1025 1HB HIS 41 2HB HIS 41 12.351 13.115 5.794 1026 2HB HIS 41 1HB HIS 41 11.780 11.454 5.709 1027 HD1 HIS 41 1HD HIS 41 14.686 13.130 6.562 1028 HD2 HIS 41 2HD HIS 41 13.938 9.933 4.015 1029 HE1 HIS 41 1HE HIS 41 16.886 11.939 6.314 1030 HE2 HIS 41 2HE HIS 41 16.423 10.041 4.723 1031 H ILE 42 H ILE 42 11.050 10.091 3.441 1032 HA ILE 42 HA ILE 42 13.297 9.016 2.099 1033 HB ILE 42 HB ILE 42 10.456 8.003 2.216 1034 1HG1 ILE 42 2HG1 ILE 42 12.777 6.840 3.710 1035 2HG1 ILE 42 1HG1 ILE 42 11.976 8.276 4.341 1036 1HG2 ILE 42 1HG2 ILE 42 11.042 6.150 1.073 1037 2HG2 ILE 42 2HG2 ILE 42 12.683 6.140 1.718 1038 3HG2 ILE 42 3HG2 ILE 42 12.265 7.220 0.388 1039 1HD1 ILE 42 1HD1 ILE 42 9.832 6.748 3.898 1040 2HD1 ILE 42 2HD1 ILE 42 10.741 6.724 5.409 1041 3HD1 ILE 42 3HD1 ILE 42 11.033 5.489 4.184 1042 H LYS 43 H LYS 43 10.079 9.973 0.909 1043 HA LYS 43 HA LYS 43 10.454 9.363 -1.768 1044 1HB LYS 43 2HB LYS 43 8.264 9.906 -1.088 1045 2HB LYS 43 1HB LYS 43 8.769 11.440 -0.394 1046 1HG LYS 43 2HG LYS 43 9.462 11.602 -3.088 1047 2HG LYS 43 1HG LYS 43 7.870 10.840 -3.058 1048 1HD LYS 43 2HD LYS 43 6.890 12.660 -1.967 1049 2HD LYS 43 1HD LYS 43 8.448 13.290 -1.429 1050 1HE LYS 43 2HE LYS 43 9.018 13.837 -3.752 1051 2HE LYS 43 1HE LYS 43 7.450 13.225 -4.275 1052 1HZ LYS 43 1HZ LYS 43 7.249 15.553 -4.108 1053 2HZ LYS 43 2HZ LYS 43 7.996 15.601 -2.591 1054 3HZ LYS 43 3HZ LYS 43 6.451 14.930 -2.751 1055 H LYS 44 H LYS 44 11.144 12.413 -0.074 1056 HA LYS 44 HA LYS 44 12.067 13.786 -2.369 1057 1HB LYS 44 2HB LYS 44 12.129 14.240 0.564 1058 2HB LYS 44 1HB LYS 44 13.302 15.126 -0.401 1059 1HG LYS 44 2HG LYS 44 11.126 15.633 -1.848 1060 2HG LYS 44 1HG LYS 44 10.359 15.381 -0.280 1061 1HD LYS 44 2HD LYS 44 10.795 17.657 -0.264 1062 2HD LYS 44 1HD LYS 44 12.190 16.999 0.593 1063 1HE LYS 44 2HE LYS 44 13.401 16.998 -1.617 1064 2HE LYS 44 1HE LYS 44 12.044 17.913 -2.272 1065 1HZ LYS 44 1HZ LYS 44 12.616 19.768 -1.123 1066 2HZ LYS 44 2HZ LYS 44 14.158 19.092 -1.273 1067 3HZ LYS 44 3HZ LYS 44 13.296 18.915 0.172 1068 H GLU 45 H GLU 45 13.672 11.800 0.050 1069 HA GLU 45 HA GLU 45 16.324 12.411 -0.747 1070 1HB GLU 45 2HB GLU 45 15.095 10.164 0.832 1071 2HB GLU 45 1HB GLU 45 16.808 10.165 0.436 1072 1HG GLU 45 2HG GLU 45 15.774 12.644 1.638 1073 2HG GLU 45 1HG GLU 45 15.778 11.223 2.680 1074 H PHE 46 H PHE 46 14.103 9.775 -1.567 1075 HA PHE 46 HA PHE 46 15.912 8.381 -3.241 1076 1HB PHE 46 2HB PHE 46 13.135 8.151 -2.443 1077 2HB PHE 46 1HB PHE 46 13.329 7.813 -4.161 1078 HD1 PHE 46 1HD PHE 46 13.746 5.647 -4.763 1079 HD2 PHE 46 2HD PHE 46 14.999 6.995 -0.928 1080 HE1 PHE 46 1HE PHE 46 14.531 3.378 -4.229 1081 HE2 PHE 46 2HE PHE 46 15.789 4.729 -0.385 1082 HZ PHE 46 HZ PHE 46 15.554 2.915 -2.036 1083 H ASP 47 H ASP 47 13.599 10.961 -3.785 1084 HA ASP 47 HA ASP 47 13.652 10.887 -6.615 1085 1HB ASP 47 2HB ASP 47 11.992 12.356 -6.299 1086 2HB ASP 47 1HB ASP 47 12.381 12.434 -4.586 1087 H LYS 48 H LYS 48 15.572 12.564 -4.187 1088 HA LYS 48 HA LYS 48 17.152 13.898 -6.232 1089 1HB LYS 48 2HB LYS 48 16.854 14.120 -3.282 1090 2HB LYS 48 1HB LYS 48 18.410 14.571 -3.965 1091 1HG LYS 48 2HG LYS 48 15.902 15.690 -5.131 1092 2HG LYS 48 1HG LYS 48 16.561 16.363 -3.638 1093 1HD LYS 48 2HD LYS 48 17.422 17.637 -5.474 1094 2HD LYS 48 1HD LYS 48 18.739 16.662 -4.819 1095 1HE LYS 48 2HE LYS 48 19.069 16.140 -6.988 1096 2HE LYS 48 1HE LYS 48 17.787 14.970 -6.679 1097 1HZ LYS 48 1HZ LYS 48 16.634 15.951 -8.278 1098 2HZ LYS 48 2HZ LYS 48 17.787 17.176 -8.448 1099 3HZ LYS 48 3HZ LYS 48 16.532 17.348 -7.329 1100 H LYS 49 H LYS 49 17.223 11.038 -4.375 1101 HA LYS 49 HA LYS 49 20.107 10.732 -4.526 1102 1HB LYS 49 2HB LYS 49 17.872 9.235 -3.242 1103 2HB LYS 49 1HB LYS 49 19.354 8.361 -3.602 1104 1HG LYS 49 2HG LYS 49 20.365 10.556 -2.401 1105 2HG LYS 49 1HG LYS 49 18.814 10.415 -1.573 1106 1HD LYS 49 2HD LYS 49 20.550 9.192 -0.375 1107 2HD LYS 49 1HD LYS 49 19.326 8.091 -1.006 1108 1HE LYS 49 2HE LYS 49 22.110 7.991 -1.398 1109 2HE LYS 49 1HE LYS 49 20.878 6.957 -2.117 1110 1HZ LYS 49 1HZ LYS 49 22.537 8.462 -3.539 1111 2HZ LYS 49 2HZ LYS 49 21.256 9.553 -3.370 1112 3HZ LYS 49 3HZ LYS 49 20.989 8.038 -4.075 1113 H TYR 50 H TYR 50 17.242 9.624 -6.198 1114 HA TYR 50 HA TYR 50 18.991 8.194 -8.079 1115 1HB TYR 50 2HB TYR 50 16.226 7.204 -7.439 1116 2HB TYR 50 1HB TYR 50 17.549 6.345 -8.221 1117 HD1 TYR 50 1HD TYR 50 15.942 7.134 -5.098 1118 HD2 TYR 50 2HD TYR 50 19.533 5.647 -6.827 1119 HE1 TYR 50 1HE TYR 50 16.577 6.163 -2.930 1120 HE2 TYR 50 2HE TYR 50 20.177 4.672 -4.664 1121 HH TYR 50 HH TYR 50 18.620 5.452 -1.756 1122 H ASN 51 H ASN 51 15.623 9.326 -7.701 1123 HA ASN 51 HA ASN 51 15.413 11.260 -9.521 1124 1HB ASN 51 2HB ASN 51 16.440 9.918 -11.259 1125 2HB ASN 51 1HB ASN 51 15.281 8.620 -10.995 1126 1HD2 ASN 51 1HD2 ASN 51 15.637 11.937 -12.087 1127 2HD2 ASN 51 2HD2 ASN 51 14.242 11.948 -13.106 1128 HA PRO 52 HA PRO 52 11.379 10.585 -7.695 1129 1HB PRO 52 2HB PRO 52 10.211 12.781 -8.879 1130 2HB PRO 52 1HB PRO 52 11.153 12.832 -7.386 1131 1HG PRO 52 2HG PRO 52 12.003 13.463 -10.183 1132 2HG PRO 52 1HG PRO 52 12.382 14.320 -8.676 1133 1HD PRO 52 2HD PRO 52 14.160 12.680 -9.823 1134 2HD PRO 52 1HD PRO 52 13.995 12.765 -8.055 1135 H THR 53 H THR 53 8.860 9.811 -10.155 1136 HA THR 53 HA THR 53 9.471 11.135 -7.607 1137 HB THR 53 HB THR 53 6.926 10.786 -9.175 1138 HG1 THR 53 1HG THR 53 7.001 12.915 -9.289 1139 1HG2 THR 53 1HG2 THR 53 6.730 12.142 -6.573 1140 2HG2 THR 53 2HG2 THR 53 6.819 10.381 -6.530 1141 3HG2 THR 53 3HG2 THR 53 5.543 11.178 -7.451 1142 H TRP 54 H TRP 54 9.448 10.001 -5.771 1143 HA TRP 54 HA TRP 54 8.650 7.187 -5.934 1144 1HB TRP 54 2HB TRP 54 10.379 8.620 -3.914 1145 2HB TRP 54 1HB TRP 54 10.014 6.897 -3.894 1146 HD1 TRP 54 HD TRP 54 11.780 9.486 -6.162 1147 HE1 TRP 54 1HE TRP 54 13.640 8.272 -7.454 1148 HE3 TRP 54 3HE TRP 54 10.875 4.712 -4.577 1149 HZ2 TRP 54 2HZ TRP 54 14.606 5.631 -7.758 1150 HZ3 TRP 54 3HZ TRP 54 12.310 2.897 -5.416 1151 HH2 TRP 54 HH TRP 54 14.135 3.347 -6.973 1152 H HIS 55 H HIS 55 6.755 6.635 -5.164 1153 HA HIS 55 HA HIS 55 5.449 8.282 -3.130 1154 1HB HIS 55 2HB HIS 55 4.266 5.857 -4.476 1155 2HB HIS 55 1HB HIS 55 3.425 7.209 -3.728 1156 HD1 HIS 55 1HD HIS 55 6.182 8.091 -6.029 1157 HD2 HIS 55 2HD HIS 55 2.067 7.549 -6.209 1158 HE1 HIS 55 1HE HIS 55 5.467 9.098 -8.220 1159 HE2 HIS 55 2HE HIS 55 2.970 8.766 -8.305 1160 H CYS 56 H CYS 56 6.336 7.763 -1.180 1161 HA CYS 56 HA CYS 56 6.559 4.908 -0.516 1162 1HB CYS 56 2HB CYS 56 8.658 5.650 -0.073 1163 2HB CYS 56 1HB CYS 56 8.132 7.305 0.205 1164 HG CYS 56 HG CYS 56 9.003 5.860 2.391 1165 H ILE 57 H ILE 57 5.845 4.095 1.420 1166 HA ILE 57 HA ILE 57 4.092 5.806 3.047 1167 HB ILE 57 HB ILE 57 3.349 2.979 2.317 1168 1HG1 ILE 57 2HG1 ILE 57 3.369 4.319 0.268 1169 2HG1 ILE 57 1HG1 ILE 57 1.716 3.939 0.741 1170 1HG2 ILE 57 1HG2 ILE 57 2.486 4.483 4.371 1171 2HG2 ILE 57 2HG2 ILE 57 1.487 3.279 3.560 1172 3HG2 ILE 57 3HG2 ILE 57 1.341 4.982 3.128 1173 1HD1 ILE 57 1HD1 ILE 57 2.630 6.452 1.853 1174 2HD1 ILE 57 2HD1 ILE 57 1.181 6.083 0.917 1175 3HD1 ILE 57 3HD1 ILE 57 2.703 6.419 0.091 1176 H VAL 58 H VAL 58 5.249 5.866 4.892 1177 HA VAL 58 HA VAL 58 6.333 3.343 5.935 1178 HB VAL 58 HB VAL 58 8.060 4.956 5.780 1179 1HG1 VAL 58 1HG1 VAL 58 6.510 6.907 5.599 1180 2HG1 VAL 58 2HG1 VAL 58 7.941 7.189 6.591 1181 3HG1 VAL 58 3HG1 VAL 58 6.381 6.888 7.358 1182 1HG2 VAL 58 1HG2 VAL 58 8.701 4.076 7.734 1183 2HG2 VAL 58 2HG2 VAL 58 7.074 4.167 8.408 1184 3HG2 VAL 58 3HG2 VAL 58 8.126 5.581 8.452 1185 H GLY 59 H GLY 59 5.194 2.360 7.448 1186 1HA GLY 59 2HA GLY 59 3.745 4.014 9.409 1187 2HA GLY 59 1HA GLY 59 2.963 2.637 8.645 1188 H ARG 60 H ARG 60 3.210 0.671 9.529 1189 HA ARG 60 HA ARG 60 5.425 -0.255 10.933 1190 1HB ARG 60 2HB ARG 60 4.553 -0.186 13.233 1191 2HB ARG 60 1HB ARG 60 4.860 1.416 12.578 1192 1HG ARG 60 2HG ARG 60 2.404 1.518 12.015 1193 2HG ARG 60 1HG ARG 60 2.214 0.068 13.004 1194 1HD ARG 60 2HD ARG 60 3.741 2.224 14.278 1195 2HD ARG 60 1HD ARG 60 2.061 2.627 13.931 1196 HE ARG 60 HE ARG 60 1.380 0.855 15.359 1197 1HH1 ARG 60 1HH1 ARG 60 4.815 1.417 15.339 1198 2HH1 ARG 60 2HH1 ARG 60 5.093 0.583 16.831 1199 1HH2 ARG 60 1HH2 ARG 60 1.733 -0.247 17.326 1200 2HH2 ARG 60 2HH2 ARG 60 3.340 -0.364 17.961 1201 H ASN 61 H ASN 61 2.155 -0.437 9.967 1202 HA ASN 61 HA ASN 61 2.155 -3.192 9.600 1203 1HB ASN 61 2HB ASN 61 1.264 -2.303 12.289 1204 2HB ASN 61 1HB ASN 61 0.280 -3.530 11.494 1205 1HD2 ASN 61 1HD2 ASN 61 2.418 -4.768 10.076 1206 2HD2 ASN 61 2HD2 ASN 61 3.377 -5.621 11.233 1207 H PHE 62 H PHE 62 1.321 -0.941 8.170 1208 HA PHE 62 HA PHE 62 -1.579 -0.868 8.265 1209 1HB PHE 62 2HB PHE 62 -1.358 0.791 6.447 1210 2HB PHE 62 1HB PHE 62 -0.387 1.216 7.854 1211 HD1 PHE 62 1HD PHE 62 2.090 0.695 7.797 1212 HD2 PHE 62 2HD PHE 62 -0.385 0.564 4.338 1213 HE1 PHE 62 1HE PHE 62 4.085 0.867 6.369 1214 HE2 PHE 62 2HE PHE 62 1.605 0.735 2.902 1215 HZ PHE 62 HZ PHE 62 3.844 0.887 3.917 1216 H GLY 63 H GLY 63 -2.256 -0.597 5.627 1217 1HA GLY 63 2HA GLY 63 -1.465 -3.166 4.405 1218 2HA GLY 63 1HA GLY 63 -3.159 -2.720 4.546 1219 H SER 64 H SER 64 -0.118 -1.995 2.973 1220 HA SER 64 HA SER 64 -1.289 0.002 1.247 1221 1HB SER 64 2HB SER 64 1.022 -0.194 0.114 1222 2HB SER 64 1HB SER 64 0.961 0.447 1.755 1223 HG SER 64 HG SER 64 1.178 -2.247 1.770 1224 H TYR 65 H TYR 65 -2.416 -0.450 -0.497 1225 HA TYR 65 HA TYR 65 -1.767 -2.878 -2.033 1226 1HB TYR 65 2HB TYR 65 -3.943 -2.949 -0.647 1227 2HB TYR 65 1HB TYR 65 -4.568 -1.792 -1.817 1228 HD1 TYR 65 1HD TYR 65 -3.182 -5.211 -1.463 1229 HD2 TYR 65 2HD TYR 65 -5.352 -2.504 -3.926 1230 HE1 TYR 65 1HE TYR 65 -3.783 -7.065 -2.961 1231 HE2 TYR 65 2HE TYR 65 -5.960 -4.352 -5.431 1232 HH TYR 65 HH TYR 65 -4.480 -7.107 -5.651 1233 H VAL 66 H VAL 66 -0.420 -1.243 -3.164 1234 HA VAL 66 HA VAL 66 -2.029 0.213 -5.158 1235 HB VAL 66 HB VAL 66 -0.320 1.928 -5.275 1236 1HG1 VAL 66 1HG1 VAL 66 -1.656 1.304 -2.708 1237 2HG1 VAL 66 2HG1 VAL 66 -1.820 2.708 -3.762 1238 3HG1 VAL 66 3HG1 VAL 66 -0.431 2.572 -2.686 1239 1HG2 VAL 66 1HG2 VAL 66 1.691 1.900 -4.151 1240 2HG2 VAL 66 2HG2 VAL 66 1.479 0.187 -4.515 1241 3HG2 VAL 66 3HG2 VAL 66 1.101 0.800 -2.905 1242 H THR 67 H THR 67 -1.058 0.457 -7.251 1243 HA THR 67 HA THR 67 0.431 -1.903 -8.034 1244 HB THR 67 HB THR 67 -0.850 0.342 -9.590 1245 HG1 THR 67 1HG THR 67 -1.566 -2.182 -8.806 1246 1HG2 THR 67 1HG2 THR 67 1.288 -1.222 -10.504 1247 2HG2 THR 67 2HG2 THR 67 0.224 -0.176 -11.445 1248 3HG2 THR 67 3HG2 THR 67 -0.171 -1.883 -11.242 1249 H HIS 68 H HIS 68 2.445 -1.918 -9.031 1250 HA HIS 68 HA HIS 68 4.103 0.412 -8.423 1251 1HB HIS 68 2HB HIS 68 5.806 -1.579 -9.312 1252 2HB HIS 68 1HB HIS 68 5.446 -1.202 -7.631 1253 HD1 HIS 68 1HD HIS 68 2.561 -2.428 -7.575 1254 HD2 HIS 68 2HD HIS 68 5.947 -4.310 -9.079 1255 HE1 HIS 68 1HE HIS 68 2.062 -4.891 -7.476 1256 HE2 HIS 68 2HE HIS 68 4.158 -6.012 -8.312 1257 H GLU 69 H GLU 69 6.018 0.665 -10.033 1258 HA GLU 69 HA GLU 69 5.112 0.334 -12.798 1259 1HB GLU 69 2HB GLU 69 6.299 2.951 -11.939 1260 2HB GLU 69 1HB GLU 69 5.331 2.588 -13.361 1261 1HG GLU 69 2HG GLU 69 3.956 2.151 -10.814 1262 2HG GLU 69 1HG GLU 69 4.418 3.824 -11.126 1263 H THR 70 H THR 70 7.607 2.541 -12.597 1264 HA THR 70 HA THR 70 9.483 1.086 -13.954 1265 HB THR 70 HB THR 70 10.028 3.315 -13.855 1266 HG1 THR 70 1HG THR 70 11.704 1.730 -12.590 1267 1HG2 THR 70 1HG2 THR 70 8.508 3.492 -11.656 1268 2HG2 THR 70 2HG2 THR 70 9.573 4.781 -12.220 1269 3HG2 THR 70 3HG2 THR 70 10.108 3.690 -10.941 1270 H LYS 71 H LYS 71 10.917 2.013 -10.987 1271 HA LYS 71 HA LYS 71 12.238 -0.397 -10.571 1272 1HB LYS 71 2HB LYS 71 11.533 1.512 -8.347 1273 2HB LYS 71 1HB LYS 71 12.951 0.481 -8.481 1274 1HG LYS 71 2HG LYS 71 12.714 2.344 -10.698 1275 2HG LYS 71 1HG LYS 71 12.806 3.149 -9.131 1276 1HD LYS 71 2HD LYS 71 14.841 1.913 -8.601 1277 2HD LYS 71 1HD LYS 71 14.740 1.066 -10.146 1278 1HE LYS 71 2HE LYS 71 15.803 2.727 -11.167 1279 2HE LYS 71 1HE LYS 71 14.597 3.883 -10.605 1280 1HZ LYS 71 1HZ LYS 71 17.243 3.710 -9.828 1281 2HZ LYS 71 2HZ LYS 71 16.345 3.184 -8.494 1282 3HZ LYS 71 3HZ LYS 71 16.046 4.707 -9.167 1283 H HIS 72 H HIS 72 9.014 0.016 -10.387 1284 HA HIS 72 HA HIS 72 7.362 -1.404 -9.693 1285 1HB HIS 72 2HB HIS 72 9.791 -2.911 -8.943 1286 2HB HIS 72 1HB HIS 72 8.342 -3.311 -8.026 1287 HD1 HIS 72 1HD HIS 72 6.714 -2.561 -10.893 1288 HD2 HIS 72 2HD HIS 72 9.447 -5.574 -10.041 1289 HE1 HIS 72 1HE HIS 72 6.300 -4.349 -12.612 1290 HE2 HIS 72 2HE HIS 72 7.926 -6.188 -12.043 1291 H PHE 73 H PHE 73 9.299 -2.024 -6.839 1292 HA PHE 73 HA PHE 73 8.784 0.050 -5.181 1293 1HB PHE 73 2HB PHE 73 6.669 -0.184 -4.191 1294 2HB PHE 73 1HB PHE 73 6.356 -0.417 -5.908 1295 HD1 PHE 73 1HD PHE 73 5.678 -1.645 -2.733 1296 HD2 PHE 73 2HD PHE 73 6.577 -2.969 -6.677 1297 HE1 PHE 73 1HE PHE 73 4.631 -3.816 -2.240 1298 HE2 PHE 73 2HE PHE 73 5.529 -5.142 -6.190 1299 HZ PHE 73 HZ PHE 73 4.555 -5.567 -3.969 1300 H ILE 74 H ILE 74 9.060 -0.432 -2.920 1301 HA ILE 74 HA ILE 74 9.840 -3.216 -2.374 1302 HB ILE 74 HB ILE 74 11.863 -1.813 -2.734 1303 1HG1 ILE 74 2HG1 ILE 74 11.236 -3.120 -0.104 1304 2HG1 ILE 74 1HG1 ILE 74 12.253 -3.701 -1.413 1305 1HG2 ILE 74 1HG2 ILE 74 11.906 0.259 -1.934 1306 2HG2 ILE 74 2HG2 ILE 74 11.957 -0.397 -0.298 1307 3HG2 ILE 74 3HG2 ILE 74 10.407 -0.019 -1.048 1308 1HD1 ILE 74 1HD1 ILE 74 12.931 -2.132 0.931 1309 2HD1 ILE 74 2HD1 ILE 74 13.575 -1.452 -0.563 1310 3HD1 ILE 74 3HD1 ILE 74 13.955 -3.116 -0.116 1311 H TYR 75 H TYR 75 9.042 -4.039 -0.560 1312 HA TYR 75 HA TYR 75 7.781 -2.205 1.368 1313 1HB TYR 75 2HB TYR 75 6.411 -3.989 -0.021 1314 2HB TYR 75 1HB TYR 75 7.026 -5.096 1.203 1315 HD1 TYR 75 1HD TYR 75 5.736 -1.586 1.344 1316 HD2 TYR 75 2HD TYR 75 5.369 -5.594 2.725 1317 HE1 TYR 75 1HE TYR 75 3.938 -0.891 2.869 1318 HE2 TYR 75 2HE TYR 75 3.568 -4.908 4.252 1319 HH TYR 75 HH TYR 75 2.393 -1.561 4.321 1320 H PHE 76 H PHE 76 8.456 -2.278 3.445 1321 HA PHE 76 HA PHE 76 9.765 -4.613 4.520 1322 1HB PHE 76 2HB PHE 76 11.803 -3.145 5.171 1323 2HB PHE 76 1HB PHE 76 11.729 -3.819 3.547 1324 HD1 PHE 76 1HD PHE 76 10.428 -2.227 1.825 1325 HD2 PHE 76 2HD PHE 76 12.425 -0.952 5.358 1326 HE1 PHE 76 1HE PHE 76 10.657 0.031 0.874 1327 HE2 PHE 76 2HE PHE 76 12.658 1.309 4.415 1328 HZ PHE 76 HZ PHE 76 11.773 1.802 2.169 1329 H TYR 77 H TYR 77 10.083 -4.520 6.781 1330 HA TYR 77 HA TYR 77 8.691 -2.282 8.099 1331 1HB TYR 77 2HB TYR 77 7.224 -4.057 8.428 1332 2HB TYR 77 1HB TYR 77 8.521 -5.241 8.557 1333 HD1 TYR 77 1HD TYR 77 6.247 -3.152 10.351 1334 HD2 TYR 77 2HD TYR 77 9.985 -5.162 10.662 1335 HE1 TYR 77 1HE TYR 77 6.105 -3.025 12.803 1336 HE2 TYR 77 2HE TYR 77 9.853 -5.042 13.114 1337 HH TYR 77 HH TYR 77 8.487 -4.608 14.866 1338 H LEU 78 H LEU 78 10.115 -1.074 9.147 1339 HA LEU 78 HA LEU 78 12.679 -2.012 9.953 1340 1HB LEU 78 2HB LEU 78 11.163 0.531 10.483 1341 2HB LEU 78 1HB LEU 78 12.761 0.241 11.138 1342 HG LEU 78 HG LEU 78 12.594 1.628 9.001 1343 1HD1 LEU 78 1HD1 LEU 78 14.384 -0.696 8.533 1344 2HD1 LEU 78 2HD1 LEU 78 14.601 0.248 10.007 1345 3HD1 LEU 78 3HD1 LEU 78 14.720 1.032 8.431 1346 1HD2 LEU 78 1HD2 LEU 78 11.606 -0.990 8.056 1347 2HD2 LEU 78 2HD2 LEU 78 12.763 -0.162 7.013 1348 3HD2 LEU 78 3HD2 LEU 78 11.257 0.635 7.469 1349 H GLY 79 H GLY 79 13.439 -1.579 12.280 1350 1HA GLY 79 2HA GLY 79 12.761 -3.357 14.069 1351 2HA GLY 79 1HA GLY 79 13.070 -1.714 14.604 1352 H GLN 80 H GLN 80 10.931 -0.292 14.017 1353 HA GLN 80 HA GLN 80 8.568 -1.780 14.898 1354 1HB GLN 80 2HB GLN 80 10.076 -0.150 16.616 1355 2HB GLN 80 1HB GLN 80 8.658 0.799 16.195 1356 1HG GLN 80 2HG GLN 80 7.697 -0.284 17.889 1357 2HG GLN 80 1HG GLN 80 7.534 -1.609 16.737 1358 1HE2 GLN 80 1HE2 GLN 80 7.823 -1.604 19.671 1359 2HE2 GLN 80 2HE2 GLN 80 9.192 -2.604 20.004 1360 H VAL 81 H VAL 81 9.246 -0.733 12.328 1361 HA VAL 81 HA VAL 81 6.919 0.955 11.920 1362 HB VAL 81 HB VAL 81 9.666 1.842 11.031 1363 1HG1 VAL 81 1HG1 VAL 81 8.623 3.685 9.948 1364 2HG1 VAL 81 2HG1 VAL 81 7.042 3.255 10.600 1365 3HG1 VAL 81 3HG1 VAL 81 7.804 2.227 9.388 1366 1HG2 VAL 81 1HG2 VAL 81 9.740 3.178 12.813 1367 2HG2 VAL 81 2HG2 VAL 81 8.384 2.253 13.455 1368 3HG2 VAL 81 3HG2 VAL 81 8.087 3.736 12.549 1369 H ALA 82 H ALA 82 6.614 1.375 9.503 1370 HA ALA 82 HA ALA 82 7.624 -0.889 7.919 1371 1HB ALA 82 1HB ALA 82 5.012 -0.644 8.834 1372 2HB ALA 82 2HB ALA 82 5.589 -1.716 7.558 1373 3HB ALA 82 3HB ALA 82 4.943 -0.126 7.150 1374 H ILE 83 H ILE 83 7.555 -0.538 5.591 1375 HA ILE 83 HA ILE 83 7.200 2.227 4.727 1376 HB ILE 83 HB ILE 83 9.685 1.064 3.689 1377 1HG1 ILE 83 2HG1 ILE 83 9.682 0.373 6.132 1378 2HG1 ILE 83 1HG1 ILE 83 11.038 1.371 5.624 1379 1HG2 ILE 83 1HG2 ILE 83 8.496 3.655 4.256 1380 2HG2 ILE 83 2HG2 ILE 83 9.702 3.198 3.053 1381 3HG2 ILE 83 3HG2 ILE 83 10.201 3.568 4.703 1382 1HD1 ILE 83 1HD1 ILE 83 8.874 3.004 6.589 1383 2HD1 ILE 83 2HD1 ILE 83 10.548 2.910 7.137 1384 3HD1 ILE 83 3HD1 ILE 83 9.344 1.796 7.786 1385 H LEU 84 H LEU 84 6.419 2.388 2.726 1386 HA LEU 84 HA LEU 84 6.551 0.036 0.959 1387 1HB LEU 84 2HB LEU 84 4.337 -0.073 1.588 1388 2HB LEU 84 1HB LEU 84 4.205 1.659 1.819 1389 HG LEU 84 HG LEU 84 4.542 1.590 -0.854 1390 1HD1 LEU 84 1HD1 LEU 84 3.631 -0.253 -1.884 1391 2HD1 LEU 84 2HD1 LEU 84 2.773 -0.773 -0.435 1392 3HD1 LEU 84 3HD1 LEU 84 4.518 -0.996 -0.554 1393 1HD2 LEU 84 1HD2 LEU 84 2.666 2.734 -0.507 1394 2HD2 LEU 84 2HD2 LEU 84 2.341 1.867 0.995 1395 3HD2 LEU 84 3HD2 LEU 84 1.805 1.195 -0.545 1396 H LEU 85 H LEU 85 8.241 0.915 -0.229 1397 HA LEU 85 HA LEU 85 7.920 3.557 -1.400 1398 1HB LEU 85 2HB LEU 85 10.108 1.929 -0.664 1399 2HB LEU 85 1HB LEU 85 10.204 2.151 -2.400 1400 HG LEU 85 HG LEU 85 9.880 4.674 -1.844 1401 1HD1 LEU 85 1HD1 LEU 85 10.373 5.416 0.272 1402 2HD1 LEU 85 2HD1 LEU 85 11.229 3.938 0.710 1403 3HD1 LEU 85 3HD1 LEU 85 9.467 3.946 0.630 1404 1HD2 LEU 85 1HD2 LEU 85 12.543 4.106 -0.938 1405 2HD2 LEU 85 2HD2 LEU 85 12.003 4.754 -2.488 1406 3HD2 LEU 85 3HD2 LEU 85 12.099 3.009 -2.246 1407 H PHE 86 H PHE 86 7.306 3.975 -3.412 1408 HA PHE 86 HA PHE 86 7.706 2.227 -5.605 1409 1HB PHE 86 2HB PHE 86 5.678 1.222 -5.934 1410 2HB PHE 86 1HB PHE 86 5.648 1.309 -4.178 1411 HD1 PHE 86 1HD PHE 86 4.227 2.951 -3.043 1412 HD2 PHE 86 2HD PHE 86 4.208 2.538 -7.279 1413 HE1 PHE 86 1HE PHE 86 2.113 4.205 -3.152 1414 HE2 PHE 86 2HE PHE 86 2.095 3.791 -7.396 1415 HZ PHE 86 HZ PHE 86 1.044 4.628 -5.332 1416 H LYS 87 H LYS 87 8.007 3.549 -7.267 1417 HA LYS 87 HA LYS 87 6.958 6.256 -7.165 1418 1HB LYS 87 2HB LYS 87 8.327 5.885 -9.588 1419 2HB LYS 87 1HB LYS 87 8.910 6.699 -8.145 1420 1HG LYS 87 2HG LYS 87 9.488 4.235 -7.409 1421 2HG LYS 87 1HG LYS 87 9.490 3.972 -9.154 1422 1HD LYS 87 2HD LYS 87 11.079 6.110 -7.739 1423 2HD LYS 87 1HD LYS 87 11.726 4.546 -8.238 1424 1HE LYS 87 2HE LYS 87 10.350 5.887 -10.406 1425 2HE LYS 87 1HE LYS 87 11.650 6.877 -9.747 1426 1HZ LYS 87 1HZ LYS 87 12.150 5.179 -11.614 1427 2HZ LYS 87 2HZ LYS 87 12.148 4.043 -10.362 1428 3HZ LYS 87 3HZ LYS 87 13.236 5.339 -10.326 1429 H SER 88 H SER 88 6.014 7.229 -9.142 1430 HA SER 88 HA SER 88 4.252 5.303 -10.503 1431 1HB SER 88 2HB SER 88 3.751 8.013 -9.368 1432 2HB SER 88 1HB SER 88 2.844 7.527 -10.800 1433 HG SER 88 HG SER 88 2.234 6.946 -8.365 1434 H GLY 89 H GLY 89 6.934 6.501 -11.167 1435 1HA GLY 89 2HA GLY 89 6.387 8.084 -13.541 1436 2HA GLY 89 1HA GLY 89 7.973 7.637 -12.930 Start of MODEL 16 1 1H MET 1 1HT MET 1 -24.898 12.400 5.460 2 2H MET 1 2HT MET 1 -25.631 12.835 6.950 3 3H MET 1 3HT MET 1 -26.216 11.486 6.064 4 HA MET 1 HA MET 1 -23.691 10.810 6.340 5 1HB MET 1 2HB MET 1 -23.351 11.303 8.878 6 2HB MET 1 1HB MET 1 -22.925 12.532 7.695 7 1HG MET 1 2HG MET 1 -25.685 12.645 8.697 8 2HG MET 1 1HG MET 1 -24.426 12.983 9.883 9 1HE MET 1 1HE MET 1 -26.023 16.434 8.571 10 2HE MET 1 2HE MET 1 -25.665 15.546 10.052 11 3HE MET 1 3HE MET 1 -26.773 14.865 8.861 12 H CYS 2 H CYS 2 -23.639 8.766 7.151 13 HA CYS 2 HA CYS 2 -25.123 7.674 9.199 14 1HB CYS 2 2HB CYS 2 -26.795 8.238 6.997 15 2HB CYS 2 1HB CYS 2 -26.562 6.493 7.002 16 HG CYS 2 HG CYS 2 -28.137 6.342 8.856 17 H ASP 3 H ASP 3 -23.825 7.177 5.976 18 HA ASP 3 HA ASP 3 -22.621 4.666 6.921 19 1HB ASP 3 2HB ASP 3 -22.826 4.011 4.381 20 2HB ASP 3 1HB ASP 3 -24.186 3.769 5.474 21 H ARG 4 H ARG 4 -22.100 7.728 5.903 22 HA ARG 4 HA ARG 4 -20.010 7.498 4.035 23 1HB ARG 4 2HB ARG 4 -21.307 9.581 5.460 24 2HB ARG 4 1HB ARG 4 -19.579 9.764 5.730 25 1HG ARG 4 2HG ARG 4 -20.398 11.040 3.792 26 2HG ARG 4 1HG ARG 4 -19.169 9.849 3.361 27 1HD ARG 4 2HD ARG 4 -20.565 8.974 1.874 28 2HD ARG 4 1HD ARG 4 -21.674 8.564 3.181 29 HE ARG 4 HE ARG 4 -22.160 10.453 1.219 30 1HH1 ARG 4 1HH1 ARG 4 -22.188 10.299 4.698 31 2HH1 ARG 4 2HH1 ARG 4 -23.425 11.497 4.871 32 1HH2 ARG 4 1HH2 ARG 4 -23.791 12.034 1.436 33 2HH2 ARG 4 2HH2 ARG 4 -24.338 12.483 3.017 34 H LYS 5 H LYS 5 -19.956 7.768 7.576 35 HA LYS 5 HA LYS 5 -18.253 7.516 9.086 36 1HB LYS 5 2HB LYS 5 -18.798 5.147 7.814 37 2HB LYS 5 1HB LYS 5 -17.054 5.267 7.631 38 1HG LYS 5 2HG LYS 5 -16.681 5.211 9.921 39 2HG LYS 5 1HG LYS 5 -18.341 5.677 10.300 40 1HD LYS 5 2HD LYS 5 -19.173 3.539 9.714 41 2HD LYS 5 1HD LYS 5 -17.650 3.076 8.952 42 1HE LYS 5 2HE LYS 5 -17.488 1.975 10.962 43 2HE LYS 5 1HE LYS 5 -16.673 3.491 11.342 44 1HZ LYS 5 1HZ LYS 5 -18.127 3.797 12.963 45 2HZ LYS 5 2HZ LYS 5 -18.955 2.380 12.550 46 3HZ LYS 5 3HZ LYS 5 -19.390 3.852 11.839 47 H ALA 6 H ALA 6 -15.687 6.441 8.823 48 HA ALA 6 HA ALA 6 -13.547 7.068 8.396 49 1HB ALA 6 1HB ALA 6 -14.586 8.057 5.750 50 2HB ALA 6 2HB ALA 6 -14.231 6.365 6.102 51 3HB ALA 6 3HB ALA 6 -12.939 7.565 6.142 52 H VAL 7 H VAL 7 -12.163 9.033 7.603 53 HA VAL 7 HA VAL 7 -13.491 11.574 8.163 54 HB VAL 7 HB VAL 7 -10.955 10.879 9.622 55 1HG1 VAL 7 1HG1 VAL 7 -13.005 13.059 9.786 56 2HG1 VAL 7 2HG1 VAL 7 -11.259 13.190 9.576 57 3HG1 VAL 7 3HG1 VAL 7 -11.926 12.708 11.136 58 1HG2 VAL 7 1HG2 VAL 7 -13.628 10.804 10.963 59 2HG2 VAL 7 2HG2 VAL 7 -12.097 10.098 11.479 60 3HG2 VAL 7 3HG2 VAL 7 -13.002 9.370 10.151 61 H ILE 8 H ILE 8 -12.973 11.627 5.780 62 HA ILE 8 HA ILE 8 -10.514 11.582 4.617 63 HB ILE 8 HB ILE 8 -12.947 13.220 4.095 64 1HG1 ILE 8 2HG1 ILE 8 -12.248 12.150 1.741 65 2HG1 ILE 8 1HG1 ILE 8 -11.380 11.051 2.807 66 1HG2 ILE 8 1HG2 ILE 8 -12.044 14.783 2.749 67 2HG2 ILE 8 2HG2 ILE 8 -10.778 13.702 2.169 68 3HG2 ILE 8 3HG2 ILE 8 -10.599 14.514 3.724 69 1HD1 ILE 8 1HD1 ILE 8 -14.320 11.517 2.575 70 2HD1 ILE 8 2HD1 ILE 8 -13.623 10.815 4.035 71 3HD1 ILE 8 3HD1 ILE 8 -13.416 10.006 2.481 72 H LYS 9 H LYS 9 -8.668 12.681 4.759 73 HA LYS 9 HA LYS 9 -8.672 15.195 6.303 74 1HB LYS 9 2HB LYS 9 -6.291 13.371 6.194 75 2HB LYS 9 1HB LYS 9 -6.682 14.606 7.381 76 1HG LYS 9 2HG LYS 9 -8.348 12.133 7.072 77 2HG LYS 9 1HG LYS 9 -6.906 12.170 8.088 78 1HD LYS 9 2HD LYS 9 -7.928 14.177 9.240 79 2HD LYS 9 1HD LYS 9 -9.419 13.805 8.372 80 1HE LYS 9 2HE LYS 9 -9.948 12.314 9.929 81 2HE LYS 9 1HE LYS 9 -8.486 11.403 9.551 82 1HZ LYS 9 1HZ LYS 9 -9.025 13.208 11.755 83 2HZ LYS 9 2HZ LYS 9 -7.490 13.359 11.061 84 3HZ LYS 9 3HZ LYS 9 -7.994 11.868 11.678 85 H ASN 10 H ASN 10 -7.995 13.690 3.376 86 HA ASN 10 HA ASN 10 -6.751 16.117 2.361 87 1HB ASN 10 2HB ASN 10 -4.962 14.382 3.130 88 2HB ASN 10 1HB ASN 10 -5.435 13.505 1.676 89 1HD2 ASN 10 1HD2 ASN 10 -5.081 14.460 -0.354 90 2HD2 ASN 10 2HD2 ASN 10 -3.918 15.721 -0.561 91 H ALA 11 H ALA 11 -6.537 13.031 0.766 92 HA ALA 11 HA ALA 11 -7.587 12.134 -1.037 93 1HB ALA 11 1HB ALA 11 -9.907 13.979 -0.580 94 2HB ALA 11 2HB ALA 11 -9.606 12.589 0.464 95 3HB ALA 11 3HB ALA 11 -9.901 12.350 -1.259 96 H ASP 12 H ASP 12 -9.261 13.233 -2.937 97 HA ASP 12 HA ASP 12 -8.745 15.707 -3.978 98 1HB ASP 12 2HB ASP 12 -6.333 14.489 -3.889 99 2HB ASP 12 1HB ASP 12 -6.877 13.966 -5.480 100 H MET 13 H MET 13 -10.638 13.532 -3.882 101 HA MET 13 HA MET 13 -10.983 12.883 -6.726 102 1HB MET 13 2HB MET 13 -11.891 11.598 -4.180 103 2HB MET 13 1HB MET 13 -12.803 11.326 -5.659 104 1HG MET 13 2HG MET 13 -11.369 9.777 -6.281 105 2HG MET 13 1HG MET 13 -10.054 10.948 -6.235 106 1HE MET 13 1HE MET 13 -12.167 8.391 -4.264 107 2HE MET 13 2HE MET 13 -10.904 7.571 -3.346 108 3HE MET 13 3HE MET 13 -10.876 7.540 -5.111 109 H SER 14 H SER 14 -13.182 12.950 -7.589 110 HA SER 14 HA SER 14 -14.419 15.447 -7.117 111 1HB SER 14 2HB SER 14 -14.858 14.815 -9.267 112 2HB SER 14 1HB SER 14 -14.930 13.100 -8.859 113 HG SER 14 HG SER 14 -17.011 13.270 -8.461 114 H GLU 15 H GLU 15 -14.663 15.108 -4.741 115 HA GLU 15 HA GLU 15 -15.816 14.389 -2.865 116 1HB GLU 15 2HB GLU 15 -17.766 15.682 -4.743 117 2HB GLU 15 1HB GLU 15 -18.295 15.116 -3.165 118 1HG GLU 15 2HG GLU 15 -15.978 16.578 -2.667 119 2HG GLU 15 1HG GLU 15 -16.863 17.508 -3.875 120 H GLU 16 H GLU 16 -18.543 13.781 -4.985 121 HA GLU 16 HA GLU 16 -19.621 11.619 -3.914 122 1HB GLU 16 2HB GLU 16 -20.569 11.043 -5.971 123 2HB GLU 16 1HB GLU 16 -20.189 12.751 -6.152 124 1HG GLU 16 2HG GLU 16 -18.279 12.270 -7.478 125 2HG GLU 16 1HG GLU 16 -18.386 10.549 -7.114 126 H MET 17 H MET 17 -16.573 11.592 -5.643 127 HA MET 17 HA MET 17 -16.339 8.740 -5.716 128 1HB MET 17 2HB MET 17 -15.086 9.758 -7.380 129 2HB MET 17 1HB MET 17 -14.524 11.040 -6.317 130 1HG MET 17 2HG MET 17 -12.852 9.264 -7.076 131 2HG MET 17 1HG MET 17 -12.881 9.709 -5.371 132 1HE MET 17 1HE MET 17 -15.143 7.493 -7.606 133 2HE MET 17 2HE MET 17 -14.657 5.862 -7.142 134 3HE MET 17 3HE MET 17 -13.530 6.903 -8.012 135 H GLN 18 H GLN 18 -14.965 11.304 -3.669 136 HA GLN 18 HA GLN 18 -13.378 9.613 -2.073 137 1HB GLN 18 2HB GLN 18 -14.082 11.709 -0.409 138 2HB GLN 18 1HB GLN 18 -12.696 11.666 -1.491 139 1HG GLN 18 2HG GLN 18 -14.770 12.443 -3.131 140 2HG GLN 18 1HG GLN 18 -15.107 13.269 -1.611 141 1HE2 GLN 18 1HE2 GLN 18 -11.845 12.488 -2.307 142 2HE2 GLN 18 2HE2 GLN 18 -11.321 14.075 -2.742 143 H GLN 19 H GLN 19 -16.769 10.400 -1.997 144 HA GLN 19 HA GLN 19 -17.217 9.379 0.647 145 1HB GLN 19 2HB GLN 19 -19.176 9.956 -1.586 146 2HB GLN 19 1HB GLN 19 -19.608 9.606 0.082 147 1HG GLN 19 2HG GLN 19 -18.155 12.015 -0.971 148 2HG GLN 19 1HG GLN 19 -19.753 11.953 -0.230 149 1HE2 GLN 19 1HE2 GLN 19 -17.351 13.487 0.496 150 2HE2 GLN 19 2HE2 GLN 19 -17.018 13.079 2.141 151 H ASP 20 H ASP 20 -17.710 8.245 -2.658 152 HA ASP 20 HA ASP 20 -18.776 5.726 -1.913 153 1HB ASP 20 2HB ASP 20 -18.120 7.106 -4.368 154 2HB ASP 20 1HB ASP 20 -17.571 5.434 -4.435 155 H SER 21 H SER 21 -15.584 7.016 -2.364 156 HA SER 21 HA SER 21 -14.155 4.585 -2.523 157 1HB SER 21 2HB SER 21 -12.748 6.291 -3.113 158 2HB SER 21 1HB SER 21 -13.491 7.429 -1.990 159 HG SER 21 HG SER 21 -12.328 5.536 -0.554 160 H VAL 22 H VAL 22 -14.956 6.726 0.195 161 HA VAL 22 HA VAL 22 -13.715 5.289 2.230 162 HB VAL 22 HB VAL 22 -16.248 6.935 2.309 163 1HG1 VAL 22 1HG1 VAL 22 -16.016 5.194 4.148 164 2HG1 VAL 22 2HG1 VAL 22 -16.219 6.869 4.660 165 3HG1 VAL 22 3HG1 VAL 22 -14.622 6.121 4.701 166 1HG2 VAL 22 1HG2 VAL 22 -13.542 7.641 2.062 167 2HG2 VAL 22 2HG2 VAL 22 -14.000 8.019 3.723 168 3HG2 VAL 22 3HG2 VAL 22 -14.910 8.708 2.378 169 H GLU 23 H GLU 23 -17.057 5.039 1.020 170 HA GLU 23 HA GLU 23 -17.959 3.018 2.685 171 1HB GLU 23 2HB GLU 23 -18.639 3.680 -0.177 172 2HB GLU 23 1HB GLU 23 -19.459 2.398 0.704 173 1HG GLU 23 2HG GLU 23 -19.354 4.962 2.112 174 2HG GLU 23 1HG GLU 23 -20.265 4.987 0.603 175 H CYS 24 H CYS 24 -16.025 2.814 -0.251 176 HA CYS 24 HA CYS 24 -16.098 -0.025 -0.458 177 1HB CYS 24 2HB CYS 24 -14.041 1.930 -1.521 178 2HB CYS 24 1HB CYS 24 -14.205 0.248 -2.014 179 HG CYS 24 HG CYS 24 -15.835 2.565 -3.065 180 H ALA 25 H ALA 25 -14.005 2.278 1.171 181 HA ALA 25 HA ALA 25 -12.026 0.382 1.964 182 1HB ALA 25 1HB ALA 25 -12.052 2.478 3.834 183 2HB ALA 25 2HB ALA 25 -12.504 3.207 2.293 184 3HB ALA 25 3HB ALA 25 -10.993 2.310 2.434 185 H THR 26 H THR 26 -15.073 1.496 3.091 186 HA THR 26 HA THR 26 -14.945 0.371 5.708 187 HB THR 26 HB THR 26 -17.296 1.270 4.037 188 HG1 THR 26 1HG THR 26 -17.014 2.985 5.840 189 1HG2 THR 26 1HG2 THR 26 -17.099 0.351 6.851 190 2HG2 THR 26 2HG2 THR 26 -18.350 0.046 5.644 191 3HG2 THR 26 3HG2 THR 26 -18.239 1.626 6.422 192 H GLN 27 H GLN 27 -16.340 -0.599 2.599 193 HA GLN 27 HA GLN 27 -17.672 -2.900 3.368 194 1HB GLN 27 2HB GLN 27 -17.659 -3.542 1.115 195 2HB GLN 27 1HB GLN 27 -17.527 -1.790 1.044 196 1HG GLN 27 2HG GLN 27 -15.500 -1.854 0.113 197 2HG GLN 27 1HG GLN 27 -14.957 -3.172 1.152 198 1HE2 GLN 27 1HE2 GLN 27 -17.670 -4.388 0.044 199 2HE2 GLN 27 2HE2 GLN 27 -17.137 -5.155 -1.409 200 H ALA 28 H ALA 28 -14.278 -2.418 2.534 201 HA ALA 28 HA ALA 28 -13.545 -5.159 2.981 202 1HB ALA 28 1HB ALA 28 -11.983 -2.628 2.552 203 2HB ALA 28 2HB ALA 28 -12.165 -4.008 1.467 204 3HB ALA 28 3HB ALA 28 -11.193 -4.159 2.932 205 H LEU 29 H LEU 29 -13.832 -2.285 4.880 206 HA LEU 29 HA LEU 29 -12.162 -3.022 7.036 207 1HB LEU 29 2HB LEU 29 -14.361 -1.046 6.654 208 2HB LEU 29 1HB LEU 29 -13.750 -1.358 8.269 209 HG LEU 29 HG LEU 29 -11.739 -0.777 6.171 210 1HD1 LEU 29 1HD1 LEU 29 -13.055 1.553 7.449 211 2HD1 LEU 29 2HD1 LEU 29 -13.824 0.823 6.040 212 3HD1 LEU 29 3HD1 LEU 29 -12.176 1.441 5.925 213 1HD2 LEU 29 1HD2 LEU 29 -11.138 -1.269 8.502 214 2HD2 LEU 29 2HD2 LEU 29 -12.072 0.134 9.023 215 3HD2 LEU 29 3HD2 LEU 29 -10.646 0.350 8.008 216 H GLU 30 H GLU 30 -15.649 -3.372 6.484 217 HA GLU 30 HA GLU 30 -16.054 -4.706 9.007 218 1HB GLU 30 2HB GLU 30 -17.719 -3.621 6.877 219 2HB GLU 30 1HB GLU 30 -18.313 -5.170 7.464 220 1HG GLU 30 2HG GLU 30 -18.377 -4.311 9.732 221 2HG GLU 30 1HG GLU 30 -17.717 -2.771 9.184 222 H LYS 31 H LYS 31 -15.479 -5.624 5.698 223 HA LYS 31 HA LYS 31 -16.303 -8.353 6.031 224 1HB LYS 31 2HB LYS 31 -15.085 -6.726 3.872 225 2HB LYS 31 1HB LYS 31 -14.788 -8.459 3.820 226 1HG LYS 31 2HG LYS 31 -17.005 -8.969 3.483 227 2HG LYS 31 1HG LYS 31 -17.570 -7.456 4.194 228 1HD LYS 31 2HD LYS 31 -17.856 -6.796 2.073 229 2HD LYS 31 1HD LYS 31 -16.106 -6.568 2.072 230 1HE LYS 31 2HE LYS 31 -17.519 -8.156 0.332 231 2HE LYS 31 1HE LYS 31 -15.787 -8.256 0.642 232 1HZ LYS 31 1HZ LYS 31 -17.954 -9.968 1.646 233 2HZ LYS 31 2HZ LYS 31 -16.553 -9.789 2.576 234 3HZ LYS 31 3HZ LYS 31 -16.450 -10.405 1.004 235 H TYR 32 H TYR 32 -13.339 -6.544 6.353 236 HA TYR 32 HA TYR 32 -12.093 -8.710 7.759 237 1HB TYR 32 2HB TYR 32 -10.161 -7.962 5.764 238 2HB TYR 32 1HB TYR 32 -10.768 -9.563 6.166 239 HD1 TYR 32 1HD TYR 32 -11.533 -10.737 4.341 240 HD2 TYR 32 2HD TYR 32 -12.135 -6.529 4.455 241 HE1 TYR 32 1HE TYR 32 -12.666 -10.844 2.163 242 HE2 TYR 32 2HE TYR 32 -13.272 -6.623 2.279 243 HH TYR 32 HH TYR 32 -13.025 -8.950 0.178 244 H ASN 33 H ASN 33 -10.549 -7.982 9.157 245 HA ASN 33 HA ASN 33 -10.085 -5.086 9.143 246 1HB ASN 33 2HB ASN 33 -9.497 -6.988 11.414 247 2HB ASN 33 1HB ASN 33 -9.653 -5.236 11.485 248 1HD2 ASN 33 1HD2 ASN 33 -11.476 -4.550 12.314 249 2HD2 ASN 33 2HD2 ASN 33 -12.997 -5.367 12.263 250 H ILE 34 H ILE 34 -8.666 -7.015 7.452 251 HA ILE 34 HA ILE 34 -5.950 -6.919 8.551 252 HB ILE 34 HB ILE 34 -6.966 -8.316 6.075 253 1HG1 ILE 34 2HG1 ILE 34 -7.869 -9.303 8.121 254 2HG1 ILE 34 1HG1 ILE 34 -6.687 -10.378 7.380 255 1HG2 ILE 34 1HG2 ILE 34 -4.545 -9.423 6.969 256 2HG2 ILE 34 2HG2 ILE 34 -4.324 -7.673 6.957 257 3HG2 ILE 34 3HG2 ILE 34 -4.836 -8.508 5.490 258 1HD1 ILE 34 1HD1 ILE 34 -6.691 -9.914 9.957 259 2HD1 ILE 34 2HD1 ILE 34 -5.766 -8.491 9.474 260 3HD1 ILE 34 3HD1 ILE 34 -5.182 -10.104 9.064 261 H GLU 35 H GLU 35 -5.437 -4.754 8.258 262 HA GLU 35 HA GLU 35 -5.820 -2.890 6.488 263 1HB GLU 35 2HB GLU 35 -3.163 -3.867 7.482 264 2HB GLU 35 1HB GLU 35 -3.251 -2.487 6.398 265 1HG GLU 35 2HG GLU 35 -3.388 -1.318 8.302 266 2HG GLU 35 1HG GLU 35 -5.089 -1.776 8.235 267 H LYS 36 H LYS 36 -3.008 -4.864 5.616 268 HA LYS 36 HA LYS 36 -2.868 -4.285 2.976 269 1HB LYS 36 2HB LYS 36 -2.148 -6.864 2.819 270 2HB LYS 36 1HB LYS 36 -1.124 -5.630 3.541 271 1HG LYS 36 2HG LYS 36 -1.036 -6.973 5.311 272 2HG LYS 36 1HG LYS 36 -2.679 -6.425 5.654 273 1HD LYS 36 2HD LYS 36 -2.907 -8.730 5.697 274 2HD LYS 36 1HD LYS 36 -3.377 -8.337 4.041 275 1HE LYS 36 2HE LYS 36 -0.935 -8.760 3.432 276 2HE LYS 36 1HE LYS 36 -0.785 -9.494 5.028 277 1HZ LYS 36 1HZ LYS 36 -3.056 -10.559 3.800 278 2HZ LYS 36 2HZ LYS 36 -1.617 -11.353 4.198 279 3HZ LYS 36 3HZ LYS 36 -1.792 -10.637 2.677 280 H ASP 37 H ASP 37 -4.974 -6.728 4.448 281 HA ASP 37 HA ASP 37 -6.012 -7.777 2.048 282 1HB ASP 37 2HB ASP 37 -6.257 -8.421 4.682 283 2HB ASP 37 1HB ASP 37 -7.834 -7.703 4.370 284 H ILE 38 H ILE 38 -7.544 -5.530 4.342 285 HA ILE 38 HA ILE 38 -9.780 -4.858 2.917 286 HB ILE 38 HB ILE 38 -8.089 -3.054 4.651 287 1HG1 ILE 38 2HG1 ILE 38 -10.681 -4.339 5.442 288 2HG1 ILE 38 1HG1 ILE 38 -9.187 -5.268 5.512 289 1HG2 ILE 38 1HG2 ILE 38 -9.785 -1.982 3.015 290 2HG2 ILE 38 2HG2 ILE 38 -9.785 -1.484 4.706 291 3HG2 ILE 38 3HG2 ILE 38 -10.999 -2.624 4.123 292 1HD1 ILE 38 1HD1 ILE 38 -8.932 -4.446 7.553 293 2HD1 ILE 38 2HD1 ILE 38 -10.202 -3.246 7.310 294 3HD1 ILE 38 3HD1 ILE 38 -8.552 -2.904 6.787 295 H ALA 39 H ALA 39 -6.527 -3.521 2.560 296 HA ALA 39 HA ALA 39 -7.242 -1.505 0.694 297 1HB ALA 39 1HB ALA 39 -5.228 -1.160 1.839 298 2HB ALA 39 2HB ALA 39 -4.741 -1.551 0.190 299 3HB ALA 39 3HB ALA 39 -4.631 -2.774 1.456 300 H ALA 40 H ALA 40 -6.021 -4.811 0.346 301 HA ALA 40 HA ALA 40 -5.536 -4.847 -2.381 302 1HB ALA 40 1HB ALA 40 -4.895 -6.682 -0.943 303 2HB ALA 40 2HB ALA 40 -5.912 -7.280 -2.255 304 3HB ALA 40 3HB ALA 40 -6.588 -7.072 -0.639 305 H HIS 41 H HIS 41 -8.532 -5.889 -0.751 306 HA HIS 41 HA HIS 41 -10.032 -6.313 -3.071 307 1HB HIS 41 2HB HIS 41 -11.603 -5.321 -0.810 308 2HB HIS 41 1HB HIS 41 -11.677 -6.874 -1.637 309 HD1 HIS 41 1HD HIS 41 -11.419 -5.921 1.591 310 HD2 HIS 41 2HD HIS 41 -8.834 -8.144 -0.778 311 HE1 HIS 41 1HE HIS 41 -10.019 -7.258 3.195 312 HE2 HIS 41 2HE HIS 41 -8.502 -8.642 1.736 313 H ILE 42 H ILE 42 -10.130 -3.499 -0.883 314 HA ILE 42 HA ILE 42 -11.883 -1.859 -2.086 315 HB ILE 42 HB ILE 42 -9.171 -1.064 -1.027 316 1HG1 ILE 42 2HG1 ILE 42 -11.881 -0.824 0.286 317 2HG1 ILE 42 1HG1 ILE 42 -10.838 -2.226 0.501 318 1HG2 ILE 42 1HG2 ILE 42 -10.966 0.500 -2.514 319 2HG2 ILE 42 2HG2 ILE 42 -9.560 1.044 -1.600 320 3HG2 ILE 42 3HG2 ILE 42 -11.147 1.002 -0.833 321 1HD1 ILE 42 1HD1 ILE 42 -10.850 -0.138 2.158 322 2HD1 ILE 42 2HD1 ILE 42 -9.617 0.408 1.021 323 3HD1 ILE 42 3HD1 ILE 42 -9.420 -1.127 1.866 324 H LYS 43 H LYS 43 -8.530 -2.315 -3.152 325 HA LYS 43 HA LYS 43 -8.676 -0.469 -5.296 326 1HB LYS 43 2HB LYS 43 -6.491 -0.873 -4.734 327 2HB LYS 43 1HB LYS 43 -6.777 -2.573 -4.395 328 1HG LYS 43 2HG LYS 43 -5.304 -2.062 -6.370 329 2HG LYS 43 1HG LYS 43 -6.654 -3.155 -6.675 330 1HD LYS 43 2HD LYS 43 -7.919 -1.397 -7.710 331 2HD LYS 43 1HD LYS 43 -6.720 -0.192 -7.239 332 1HE LYS 43 2HE LYS 43 -6.840 -1.567 -9.646 333 2HE LYS 43 1HE LYS 43 -5.493 -0.599 -9.050 334 1HZ LYS 43 1HZ LYS 43 -5.862 -3.523 -8.689 335 2HZ LYS 43 2HZ LYS 43 -4.618 -2.622 -7.984 336 3HZ LYS 43 3HZ LYS 43 -4.709 -2.762 -9.666 337 H LYS 44 H LYS 44 -8.589 -4.037 -5.356 338 HA LYS 44 HA LYS 44 -9.003 -4.513 -7.991 339 1HB LYS 44 2HB LYS 44 -9.104 -6.030 -5.686 340 2HB LYS 44 1HB LYS 44 -10.715 -6.225 -6.362 341 1HG LYS 44 2HG LYS 44 -8.179 -6.684 -7.913 342 2HG LYS 44 1HG LYS 44 -9.071 -7.954 -7.071 343 1HD LYS 44 2HD LYS 44 -11.000 -6.642 -8.573 344 2HD LYS 44 1HD LYS 44 -9.594 -6.709 -9.637 345 1HE LYS 44 2HE LYS 44 -10.575 -8.722 -10.122 346 2HE LYS 44 1HE LYS 44 -9.494 -9.201 -8.815 347 1HZ LYS 44 1HZ LYS 44 -12.342 -8.476 -8.411 348 2HZ LYS 44 2HZ LYS 44 -11.290 -9.161 -7.278 349 3HZ LYS 44 3HZ LYS 44 -11.797 -10.065 -8.615 350 H GLU 45 H GLU 45 -11.590 -3.988 -5.613 351 HA GLU 45 HA GLU 45 -13.702 -4.118 -7.484 352 1HB GLU 45 2HB GLU 45 -13.826 -4.317 -4.936 353 2HB GLU 45 1HB GLU 45 -13.790 -2.560 -4.906 354 1HG GLU 45 2HG GLU 45 -15.899 -2.362 -5.706 355 2HG GLU 45 1HG GLU 45 -15.789 -3.831 -6.676 356 H PHE 46 H PHE 46 -12.037 -1.341 -6.008 357 HA PHE 46 HA PHE 46 -13.485 0.677 -7.277 358 1HB PHE 46 2HB PHE 46 -11.180 0.493 -5.623 359 2HB PHE 46 1HB PHE 46 -10.763 1.506 -7.001 360 HD1 PHE 46 1HD PHE 46 -11.711 3.672 -7.275 361 HD2 PHE 46 2HD PHE 46 -13.013 1.131 -4.120 362 HE1 PHE 46 1HE PHE 46 -12.868 5.573 -6.226 363 HE2 PHE 46 2HE PHE 46 -14.173 3.027 -3.066 364 HZ PHE 46 HZ PHE 46 -14.102 5.251 -4.119 365 H ASP 47 H ASP 47 -10.943 -1.377 -8.460 366 HA ASP 47 HA ASP 47 -10.386 0.246 -10.776 367 1HB ASP 47 2HB ASP 47 -8.629 -1.150 -11.145 368 2HB ASP 47 1HB ASP 47 -8.918 -1.597 -9.466 369 H LYS 48 H LYS 48 -12.359 -2.547 -9.997 370 HA LYS 48 HA LYS 48 -13.172 -2.791 -12.797 371 1HB LYS 48 2HB LYS 48 -13.044 -4.610 -10.510 372 2HB LYS 48 1HB LYS 48 -14.551 -4.730 -11.406 373 1HG LYS 48 2HG LYS 48 -11.867 -4.848 -12.745 374 2HG LYS 48 1HG LYS 48 -12.682 -6.279 -12.109 375 1HD LYS 48 2HD LYS 48 -13.619 -6.398 -14.146 376 2HD LYS 48 1HD LYS 48 -14.670 -5.105 -13.563 377 1HE LYS 48 2HE LYS 48 -13.941 -4.006 -15.383 378 2HE LYS 48 1HE LYS 48 -12.515 -3.687 -14.398 379 1HZ LYS 48 1HZ LYS 48 -11.263 -5.122 -15.581 380 2HZ LYS 48 2HZ LYS 48 -12.388 -4.785 -16.798 381 3HZ LYS 48 3HZ LYS 48 -12.539 -6.195 -15.875 382 H LYS 49 H LYS 49 -14.035 -0.888 -10.374 383 HA LYS 49 HA LYS 49 -16.880 -0.966 -11.110 384 1HB LYS 49 2HB LYS 49 -16.012 -1.593 -8.633 385 2HB LYS 49 1HB LYS 49 -16.172 0.150 -8.460 386 1HG LYS 49 2HG LYS 49 -18.504 -0.791 -9.755 387 2HG LYS 49 1HG LYS 49 -18.192 -1.845 -8.374 388 1HD LYS 49 2HD LYS 49 -18.802 -0.263 -6.924 389 2HD LYS 49 1HD LYS 49 -17.782 0.944 -7.709 390 1HE LYS 49 2HE LYS 49 -20.657 0.330 -8.101 391 2HE LYS 49 1HE LYS 49 -19.824 1.883 -8.084 392 1HZ LYS 49 1HZ LYS 49 -18.802 1.009 -10.281 393 2HZ LYS 49 2HZ LYS 49 -20.367 1.649 -10.288 394 3HZ LYS 49 3HZ LYS 49 -20.140 -0.027 -10.297 395 H TYR 50 H TYR 50 -14.049 0.747 -11.211 396 HA TYR 50 HA TYR 50 -15.506 3.244 -11.714 397 1HB TYR 50 2HB TYR 50 -13.106 2.880 -9.933 398 2HB TYR 50 1HB TYR 50 -13.458 4.430 -10.689 399 HD1 TYR 50 1HD TYR 50 -15.724 5.503 -10.211 400 HD2 TYR 50 2HD TYR 50 -14.179 2.247 -7.948 401 HE1 TYR 50 1HE TYR 50 -17.272 6.048 -8.379 402 HE2 TYR 50 2HE TYR 50 -15.724 2.783 -6.112 403 HH TYR 50 HH TYR 50 -17.434 5.690 -5.933 404 H ASN 51 H ASN 51 -12.154 2.021 -11.792 405 HA ASN 51 HA ASN 51 -11.710 1.662 -14.417 406 1HB ASN 51 2HB ASN 51 -12.625 3.910 -14.854 407 2HB ASN 51 1HB ASN 51 -11.380 4.614 -13.825 408 1HD2 ASN 51 1HD2 ASN 51 -11.100 2.004 -16.187 409 2HD2 ASN 51 2HD2 ASN 51 -9.974 2.818 -17.216 410 HA PRO 52 HA PRO 52 -7.991 0.817 -12.006 411 1HB PRO 52 2HB PRO 52 -7.155 -0.321 -14.616 412 2HB PRO 52 1HB PRO 52 -7.153 -1.061 -13.012 413 1HG PRO 52 2HG PRO 52 -8.972 -1.762 -14.825 414 2HG PRO 52 1HG PRO 52 -9.408 -1.602 -13.113 415 1HD PRO 52 2HD PRO 52 -9.920 0.279 -15.383 416 2HD PRO 52 1HD PRO 52 -10.977 -0.166 -14.028 417 H THR 53 H THR 53 -5.251 2.759 -13.163 418 HA THR 53 HA THR 53 -6.312 0.486 -11.638 419 HB THR 53 HB THR 53 -4.121 0.185 -12.832 420 HG1 THR 53 1HG THR 53 -4.599 -1.079 -11.018 421 1HG2 THR 53 1HG2 THR 53 -3.272 2.488 -12.385 422 2HG2 THR 53 2HG2 THR 53 -2.141 1.184 -12.020 423 3HG2 THR 53 3HG2 THR 53 -3.007 1.992 -10.714 424 H TRP 54 H TRP 54 -6.534 0.611 -9.452 425 HA TRP 54 HA TRP 54 -6.230 3.292 -8.315 426 1HB TRP 54 2HB TRP 54 -7.899 0.935 -7.436 427 2HB TRP 54 1HB TRP 54 -7.796 2.457 -6.557 428 HD1 TRP 54 HD TRP 54 -8.922 1.152 -10.021 429 HE1 TRP 54 1HE TRP 54 -10.797 2.687 -10.877 430 HE3 TRP 54 3HE TRP 54 -8.898 4.619 -6.268 431 HZ2 TRP 54 2HZ TRP 54 -12.104 5.061 -10.061 432 HZ3 TRP 54 3HZ TRP 54 -10.490 6.491 -6.379 433 HH2 TRP 54 HH TRP 54 -12.058 6.706 -8.236 434 H HIS 55 H HIS 55 -4.649 3.712 -6.987 435 HA HIS 55 HA HIS 55 -3.295 1.511 -5.585 436 1HB HIS 55 2HB HIS 55 -2.179 4.283 -5.629 437 2HB HIS 55 1HB HIS 55 -1.335 2.741 -5.627 438 HD1 HIS 55 1HD HIS 55 -0.121 4.451 -7.561 439 HD2 HIS 55 2HD HIS 55 -3.632 2.446 -8.517 440 HE1 HIS 55 1HE HIS 55 -0.205 4.402 -10.073 441 HE2 HIS 55 2HE HIS 55 -2.407 3.311 -10.622 442 H CYS 56 H CYS 56 -4.644 1.271 -3.818 443 HA CYS 56 HA CYS 56 -5.043 3.665 -2.152 444 1HB CYS 56 2HB CYS 56 -6.872 2.139 -1.107 445 2HB CYS 56 1HB CYS 56 -7.175 2.916 -2.657 446 HG CYS 56 HG CYS 56 -7.435 0.713 -3.684 447 H ILE 57 H ILE 57 -5.133 3.345 0.162 448 HA ILE 57 HA ILE 57 -3.512 1.108 1.167 449 HB ILE 57 HB ILE 57 -3.134 3.953 2.106 450 1HG1 ILE 57 2HG1 ILE 57 -2.322 3.904 -0.146 451 2HG1 ILE 57 1HG1 ILE 57 -0.921 3.803 0.916 452 1HG2 ILE 57 1HG2 ILE 57 -1.565 1.429 2.616 453 2HG2 ILE 57 2HG2 ILE 57 -2.594 2.278 3.769 454 3HG2 ILE 57 3HG2 ILE 57 -1.116 3.040 3.178 455 1HD1 ILE 57 1HD1 ILE 57 -1.857 1.171 0.275 456 2HD1 ILE 57 2HD1 ILE 57 -0.285 1.911 -0.032 457 3HD1 ILE 57 3HD1 ILE 57 -1.596 2.107 -1.196 458 H VAL 58 H VAL 58 -3.789 0.754 3.506 459 HA VAL 58 HA VAL 58 -5.966 2.108 4.831 460 HB VAL 58 HB VAL 58 -7.283 0.589 3.527 461 1HG1 VAL 58 1HG1 VAL 58 -6.665 -1.972 4.332 462 2HG1 VAL 58 2HG1 VAL 58 -5.086 -1.227 4.080 463 3HG1 VAL 58 3HG1 VAL 58 -6.273 -1.245 2.774 464 1HG2 VAL 58 1HG2 VAL 58 -7.012 -0.457 6.343 465 2HG2 VAL 58 2HG2 VAL 58 -8.402 -0.683 5.282 466 3HG2 VAL 58 3HG2 VAL 58 -7.978 0.933 5.847 467 H GLY 59 H GLY 59 -4.980 2.483 6.710 468 1HA GLY 59 2HA GLY 59 -4.028 0.173 8.245 469 2HA GLY 59 1HA GLY 59 -2.925 1.520 8.007 470 H ARG 60 H ARG 60 -2.847 1.864 10.285 471 HA ARG 60 HA ARG 60 -4.870 3.667 11.203 472 1HB ARG 60 2HB ARG 60 -5.194 2.234 13.328 473 2HB ARG 60 1HB ARG 60 -6.105 1.839 11.877 474 1HG ARG 60 2HG ARG 60 -4.306 0.150 11.358 475 2HG ARG 60 1HG ARG 60 -3.698 0.433 12.991 476 1HD ARG 60 2HD ARG 60 -6.472 0.027 13.228 477 2HD ARG 60 1HD ARG 60 -5.883 -1.213 12.124 478 HE ARG 60 HE ARG 60 -4.161 -1.110 14.324 479 1HH1 ARG 60 1HH1 ARG 60 -7.449 -1.977 13.572 480 2HH1 ARG 60 2HH1 ARG 60 -7.567 -3.148 14.843 481 1HH2 ARG 60 1HH2 ARG 60 -4.307 -2.645 16.004 482 2HH2 ARG 60 2HH2 ARG 60 -5.781 -3.527 16.227 483 H ASN 61 H ASN 61 -1.926 3.571 10.793 484 HA ASN 61 HA ASN 61 -1.073 5.190 12.812 485 1HB ASN 61 2HB ASN 61 -1.560 2.966 14.126 486 2HB ASN 61 1HB ASN 61 0.021 2.496 13.511 487 1HD2 ASN 61 1HD2 ASN 61 1.246 2.579 15.285 488 2HD2 ASN 61 2HD2 ASN 61 1.464 3.981 16.272 489 H PHE 62 H PHE 62 -0.677 4.389 9.995 490 HA PHE 62 HA PHE 62 2.217 3.926 9.936 491 1HB PHE 62 2HB PHE 62 1.973 3.412 7.610 492 2HB PHE 62 1HB PHE 62 0.695 2.566 8.476 493 HD1 PHE 62 1HD PHE 62 -1.301 4.651 8.865 494 HD2 PHE 62 2HD PHE 62 1.160 3.820 5.500 495 HE1 PHE 62 1HE PHE 62 -2.976 5.684 7.390 496 HE2 PHE 62 2HE PHE 62 -0.506 4.852 4.015 497 HZ PHE 62 HZ PHE 62 -2.586 5.785 4.961 498 H GLY 63 H GLY 63 2.605 5.167 7.368 499 1HA GLY 63 2HA GLY 63 1.987 7.985 7.733 500 2HA GLY 63 1HA GLY 63 3.684 7.558 7.907 501 H SER 64 H SER 64 0.946 7.511 5.694 502 HA SER 64 HA SER 64 2.388 6.656 3.419 503 1HB SER 64 2HB SER 64 0.451 7.282 2.142 504 2HB SER 64 1HB SER 64 -0.112 6.605 3.670 505 HG SER 64 HG SER 64 -1.077 8.673 2.898 506 H TYR 65 H TYR 65 2.787 7.943 1.478 507 HA TYR 65 HA TYR 65 3.023 10.773 1.602 508 1HB TYR 65 2HB TYR 65 4.927 10.076 3.073 509 2HB TYR 65 1HB TYR 65 5.624 9.230 1.697 510 HD1 TYR 65 1HD TYR 65 7.021 10.360 0.205 511 HD2 TYR 65 2HD TYR 65 4.547 12.605 2.839 512 HE1 TYR 65 1HE TYR 65 8.168 12.422 -0.486 513 HE2 TYR 65 2HE TYR 65 5.685 14.674 2.154 514 HH TYR 65 HH TYR 65 7.632 14.891 -0.552 515 H VAL 66 H VAL 66 1.795 9.116 -0.186 516 HA VAL 66 HA VAL 66 3.568 8.911 -2.506 517 HB VAL 66 HB VAL 66 1.960 7.519 -3.530 518 1HG1 VAL 66 1HG1 VAL 66 3.158 6.365 -1.799 519 2HG1 VAL 66 2HG1 VAL 66 1.492 5.791 -1.808 520 3HG1 VAL 66 3HG1 VAL 66 2.023 6.932 -0.574 521 1HG2 VAL 66 1HG2 VAL 66 0.088 9.097 -2.102 522 2HG2 VAL 66 2HG2 VAL 66 -0.196 7.409 -1.676 523 3HG2 VAL 66 3HG2 VAL 66 -0.220 7.907 -3.367 524 H THR 67 H THR 67 2.995 9.834 -4.535 525 HA THR 67 HA THR 67 1.500 12.328 -4.236 526 HB THR 67 HB THR 67 3.915 12.072 -5.228 527 HG1 THR 67 1HG THR 67 2.660 14.008 -5.157 528 1HG2 THR 67 1HG2 THR 67 4.168 11.160 -7.218 529 2HG2 THR 67 2HG2 THR 67 2.937 12.223 -7.897 530 3HG2 THR 67 3HG2 THR 67 2.474 10.675 -7.191 531 H HIS 68 H HIS 68 -0.137 12.956 -5.659 532 HA HIS 68 HA HIS 68 -1.524 10.712 -6.920 533 1HB HIS 68 2HB HIS 68 -3.520 11.907 -6.673 534 2HB HIS 68 1HB HIS 68 -2.616 12.334 -5.223 535 HD1 HIS 68 1HD HIS 68 -0.839 14.344 -7.256 536 HD2 HIS 68 2HD HIS 68 -4.870 14.422 -6.247 537 HE1 HIS 68 1HE HIS 68 -1.591 16.707 -7.672 538 HE2 HIS 68 2HE HIS 68 -4.032 16.735 -7.048 539 H GLU 69 H GLU 69 -2.801 11.331 -8.951 540 HA GLU 69 HA GLU 69 -1.824 13.393 -10.635 541 1HB GLU 69 2HB GLU 69 -0.921 11.530 -12.321 542 2HB GLU 69 1HB GLU 69 0.125 12.331 -11.157 543 1HG GLU 69 2HG GLU 69 -0.324 10.416 -9.596 544 2HG GLU 69 1HG GLU 69 -1.117 9.604 -10.944 545 H THR 70 H THR 70 -4.263 13.338 -10.416 546 HA THR 70 HA THR 70 -5.486 12.789 -12.786 547 HB THR 70 HB THR 70 -6.849 10.678 -11.655 548 HG1 THR 70 1HG THR 70 -5.470 10.109 -10.118 549 1HG2 THR 70 1HG2 THR 70 -6.215 9.502 -13.466 550 2HG2 THR 70 2HG2 THR 70 -4.514 9.937 -13.293 551 3HG2 THR 70 3HG2 THR 70 -5.651 11.084 -14.002 552 H LYS 71 H LYS 71 -7.455 11.287 -10.509 553 HA LYS 71 HA LYS 71 -8.444 13.625 -9.172 554 1HB LYS 71 2HB LYS 71 -10.761 13.372 -10.208 555 2HB LYS 71 1HB LYS 71 -9.532 14.148 -11.199 556 1HG LYS 71 2HG LYS 71 -9.167 12.009 -12.369 557 2HG LYS 71 1HG LYS 71 -10.470 11.296 -11.417 558 1HD LYS 71 2HD LYS 71 -12.024 12.978 -12.335 559 2HD LYS 71 1HD LYS 71 -10.714 13.616 -13.331 560 1HE LYS 71 2HE LYS 71 -11.622 10.749 -13.442 561 2HE LYS 71 1HE LYS 71 -12.294 12.011 -14.475 562 1HZ LYS 71 1HZ LYS 71 -10.371 12.193 -15.660 563 2HZ LYS 71 2HZ LYS 71 -10.282 10.553 -15.253 564 3HZ LYS 71 3HZ LYS 71 -9.382 11.690 -14.382 565 H HIS 72 H HIS 72 -7.791 10.499 -9.220 566 HA HIS 72 HA HIS 72 -9.985 9.790 -7.390 567 1HB HIS 72 2HB HIS 72 -8.341 7.656 -8.647 568 2HB HIS 72 1HB HIS 72 -10.042 7.646 -8.197 569 HD1 HIS 72 1HD HIS 72 -11.726 8.253 -9.986 570 HD2 HIS 72 2HD HIS 72 -7.794 8.886 -11.174 571 HE1 HIS 72 1HE HIS 72 -11.838 8.733 -12.452 572 HE2 HIS 72 2HE HIS 72 -9.446 9.099 -13.154 573 H PHE 73 H PHE 73 -8.301 11.103 -6.004 574 HA PHE 73 HA PHE 73 -6.619 9.098 -4.661 575 1HB PHE 73 2HB PHE 73 -4.939 10.285 -5.736 576 2HB PHE 73 1HB PHE 73 -5.828 11.801 -5.679 577 HD1 PHE 73 1HD PHE 73 -4.540 9.348 -3.165 578 HD2 PHE 73 2HD PHE 73 -4.820 13.408 -4.409 579 HE1 PHE 73 1HE PHE 73 -3.233 10.038 -1.199 580 HE2 PHE 73 2HE PHE 73 -3.513 14.105 -2.445 581 HZ PHE 73 HZ PHE 73 -2.717 12.418 -0.836 582 H ILE 74 H ILE 74 -8.031 8.828 -2.961 583 HA ILE 74 HA ILE 74 -8.673 11.230 -1.388 584 HB ILE 74 HB ILE 74 -10.581 9.784 -2.241 585 1HG1 ILE 74 2HG1 ILE 74 -10.184 10.459 0.669 586 2HG1 ILE 74 1HG1 ILE 74 -11.070 11.364 -0.550 587 1HG2 ILE 74 1HG2 ILE 74 -10.940 7.839 -0.473 588 2HG2 ILE 74 2HG2 ILE 74 -9.176 7.862 -0.466 589 3HG2 ILE 74 3HG2 ILE 74 -10.048 7.583 -1.973 590 1HD1 ILE 74 1HD1 ILE 74 -12.789 10.469 0.635 591 2HD1 ILE 74 2HD1 ILE 74 -11.896 9.004 1.044 592 3HD1 ILE 74 3HD1 ILE 74 -12.569 9.204 -0.574 593 H TYR 75 H TYR 75 -7.982 11.420 0.664 594 HA TYR 75 HA TYR 75 -6.687 9.088 1.907 595 1HB TYR 75 2HB TYR 75 -5.081 10.865 0.990 596 2HB TYR 75 1HB TYR 75 -5.682 11.906 2.276 597 HD1 TYR 75 1HD TYR 75 -3.681 12.131 3.535 598 HD2 TYR 75 2HD TYR 75 -5.146 8.258 2.560 599 HE1 TYR 75 1HE TYR 75 -2.068 11.135 5.100 600 HE2 TYR 75 2HE TYR 75 -3.538 7.250 4.123 601 HH TYR 75 HH TYR 75 -1.343 9.265 6.058 602 H PHE 76 H PHE 76 -8.518 8.672 3.136 603 HA PHE 76 HA PHE 76 -9.205 10.727 5.131 604 1HB PHE 76 2HB PHE 76 -11.378 9.446 5.342 605 2HB PHE 76 1HB PHE 76 -11.134 10.282 3.812 606 HD1 PHE 76 1HD PHE 76 -10.048 8.839 1.916 607 HD2 PHE 76 2HD PHE 76 -12.052 7.246 5.314 608 HE1 PHE 76 1HE PHE 76 -10.427 6.733 0.700 609 HE2 PHE 76 2HE PHE 76 -12.435 5.138 4.105 610 HZ PHE 76 HZ PHE 76 -11.622 4.879 1.795 611 H TYR 77 H TYR 77 -10.226 9.645 7.153 612 HA TYR 77 HA TYR 77 -8.656 7.281 7.919 613 1HB TYR 77 2HB TYR 77 -7.463 9.034 8.958 614 2HB TYR 77 1HB TYR 77 -8.938 9.887 9.400 615 HD1 TYR 77 1HD TYR 77 -10.236 9.204 11.341 616 HD2 TYR 77 2HD TYR 77 -6.658 7.164 10.278 617 HE1 TYR 77 1HE TYR 77 -10.193 8.139 13.557 618 HE2 TYR 77 2HE TYR 77 -6.605 6.093 12.491 619 HH TYR 77 HH TYR 77 -7.493 6.547 14.778 620 H LEU 78 H LEU 78 -10.182 5.761 8.098 621 HA LEU 78 HA LEU 78 -12.867 6.116 8.698 622 1HB LEU 78 2HB LEU 78 -10.988 3.802 8.853 623 2HB LEU 78 1HB LEU 78 -12.591 3.633 9.539 624 HG LEU 78 HG LEU 78 -12.170 2.846 7.114 625 1HD1 LEU 78 1HD1 LEU 78 -14.520 4.442 6.824 626 2HD1 LEU 78 2HD1 LEU 78 -14.420 3.835 8.477 627 3HD1 LEU 78 3HD1 LEU 78 -14.379 2.709 7.120 628 1HD2 LEU 78 1HD2 LEU 78 -11.063 4.846 6.293 629 2HD2 LEU 78 2HD2 LEU 78 -12.493 5.810 6.660 630 3HD2 LEU 78 3HD2 LEU 78 -12.564 4.568 5.410 631 H GLY 79 H GLY 79 -14.038 5.305 10.645 632 1HA GLY 79 2HA GLY 79 -13.793 6.731 12.864 633 2HA GLY 79 1HA GLY 79 -14.278 5.045 12.957 634 H GLN 80 H GLN 80 -11.955 3.724 12.389 635 HA GLN 80 HA GLN 80 -9.956 4.736 14.275 636 1HB GLN 80 2HB GLN 80 -11.772 2.655 14.882 637 2HB GLN 80 1HB GLN 80 -10.209 1.894 14.611 638 1HG GLN 80 2HG GLN 80 -9.637 4.101 16.186 639 2HG GLN 80 1HG GLN 80 -11.140 3.462 16.848 640 1HE2 GLN 80 1HE2 GLN 80 -8.104 3.448 17.530 641 2HE2 GLN 80 2HE2 GLN 80 -7.840 1.818 18.037 642 H VAL 81 H VAL 81 -10.293 4.236 11.302 643 HA VAL 81 HA VAL 81 -7.726 2.862 10.932 644 HB VAL 81 HB VAL 81 -10.132 2.337 9.181 645 1HG1 VAL 81 1HG1 VAL 81 -8.251 2.021 7.849 646 2HG1 VAL 81 2HG1 VAL 81 -8.590 0.402 8.465 647 3HG1 VAL 81 3HG1 VAL 81 -7.298 1.368 9.180 648 1HG2 VAL 81 1HG2 VAL 81 -9.074 0.919 11.571 649 2HG2 VAL 81 2HG2 VAL 81 -9.710 -0.043 10.238 650 3HG2 VAL 81 3HG2 VAL 81 -10.739 1.146 11.036 651 H ALA 82 H ALA 82 -7.120 3.124 8.457 652 HA ALA 82 HA ALA 82 -7.909 5.776 7.503 653 1HB ALA 82 1HB ALA 82 -5.560 5.438 8.856 654 2HB ALA 82 2HB ALA 82 -5.886 6.718 7.688 655 3HB ALA 82 3HB ALA 82 -5.052 5.250 7.178 656 H ILE 83 H ILE 83 -7.600 6.104 5.259 657 HA ILE 83 HA ILE 83 -6.772 3.779 3.692 658 HB ILE 83 HB ILE 83 -9.203 5.096 2.670 659 1HG1 ILE 83 2HG1 ILE 83 -9.648 4.887 5.134 660 2HG1 ILE 83 1HG1 ILE 83 -10.742 3.951 4.121 661 1HG2 ILE 83 1HG2 ILE 83 -9.465 3.152 1.564 662 2HG2 ILE 83 2HG2 ILE 83 -9.017 2.174 2.962 663 3HG2 ILE 83 3HG2 ILE 83 -7.764 2.926 1.974 664 1HD1 ILE 83 1HD1 ILE 83 -9.266 3.046 6.292 665 2HD1 ILE 83 2HD1 ILE 83 -8.450 2.382 4.876 666 3HD1 ILE 83 3HD1 ILE 83 -10.167 2.069 5.133 667 H LEU 84 H LEU 84 -5.411 4.400 2.180 668 HA LEU 84 HA LEU 84 -5.510 7.182 1.234 669 1HB LEU 84 2HB LEU 84 -3.439 6.779 2.303 670 2HB LEU 84 1HB LEU 84 -3.249 5.221 1.522 671 HG LEU 84 HG LEU 84 -3.232 6.739 -0.665 672 1HD1 LEU 84 1HD1 LEU 84 -1.804 8.771 -0.043 673 2HD1 LEU 84 2HD1 LEU 84 -2.449 8.558 1.584 674 3HD1 LEU 84 3HD1 LEU 84 -3.543 8.868 0.236 675 1HD2 LEU 84 1HD2 LEU 84 -1.376 5.335 0.824 676 2HD2 LEU 84 2HD2 LEU 84 -0.637 6.924 0.621 677 3HD2 LEU 84 3HD2 LEU 84 -1.136 5.996 -0.794 678 H LEU 85 H LEU 85 -7.085 6.730 -0.364 679 HA LEU 85 HA LEU 85 -6.447 4.806 -2.444 680 1HB LEU 85 2HB LEU 85 -8.814 6.007 -1.445 681 2HB LEU 85 1HB LEU 85 -8.666 6.471 -3.129 682 HG LEU 85 HG LEU 85 -8.222 3.891 -3.466 683 1HD1 LEU 85 1HD1 LEU 85 -8.705 2.529 -1.782 684 2HD1 LEU 85 2HD1 LEU 85 -10.211 3.379 -1.432 685 3HD1 LEU 85 3HD1 LEU 85 -8.692 3.953 -0.743 686 1HD2 LEU 85 1HD2 LEU 85 -10.996 4.941 -2.932 687 2HD2 LEU 85 2HD2 LEU 85 -10.547 3.599 -3.985 688 3HD2 LEU 85 3HD2 LEU 85 -10.079 5.246 -4.408 689 H PHE 86 H PHE 86 -5.770 5.265 -4.470 690 HA PHE 86 HA PHE 86 -5.946 7.736 -5.762 691 1HB PHE 86 2HB PHE 86 -4.022 8.888 -5.318 692 2HB PHE 86 1HB PHE 86 -4.217 8.086 -3.766 693 HD1 PHE 86 1HD PHE 86 -2.814 6.139 -3.196 694 HD2 PHE 86 2HD PHE 86 -2.216 8.369 -6.771 695 HE1 PHE 86 1HE PHE 86 -0.579 5.140 -3.440 696 HE2 PHE 86 2HE PHE 86 0.020 7.373 -7.023 697 HZ PHE 86 HZ PHE 86 0.841 5.756 -5.357 698 H LYS 87 H LYS 87 -5.583 7.445 -7.881 699 HA LYS 87 HA LYS 87 -4.264 4.951 -8.706 700 1HB LYS 87 2HB LYS 87 -6.046 6.763 -10.337 701 2HB LYS 87 1HB LYS 87 -5.476 5.161 -10.786 702 1HG LYS 87 2HG LYS 87 -7.004 4.104 -9.505 703 2HG LYS 87 1HG LYS 87 -6.994 5.360 -8.263 704 1HD LYS 87 2HD LYS 87 -9.124 5.442 -9.312 705 2HD LYS 87 1HD LYS 87 -8.213 6.835 -9.890 706 1HE LYS 87 2HE LYS 87 -7.895 4.432 -11.530 707 2HE LYS 87 1HE LYS 87 -9.545 5.053 -11.476 708 1HZ LYS 87 1HZ LYS 87 -7.418 7.000 -11.908 709 2HZ LYS 87 2HZ LYS 87 -8.971 6.927 -12.575 710 3HZ LYS 87 3HZ LYS 87 -7.744 5.938 -13.185 711 H SER 88 H SER 88 -3.903 5.777 -11.417 712 HA SER 88 HA SER 88 -2.153 8.066 -11.418 713 1HB SER 88 2HB SER 88 -1.080 5.468 -10.913 714 2HB SER 88 1HB SER 88 -0.543 5.996 -12.508 715 HG SER 88 HG SER 88 0.060 7.010 -10.000 716 H GLY 89 H GLY 89 -4.518 6.809 -12.752 717 1HA GLY 89 2HA GLY 89 -5.244 7.547 -14.933 718 2HA GLY 89 1HA GLY 89 -3.608 7.280 -15.516 719 1H MET 1 1HT MET 1 27.094 4.225 12.003 720 2H MET 1 2HT MET 1 26.959 2.538 11.725 721 3H MET 1 3HT MET 1 25.548 3.511 11.805 722 HA MET 1 HA MET 1 26.978 4.717 9.898 723 1HB MET 1 2HB MET 1 27.864 1.969 10.209 724 2HB MET 1 1HB MET 1 27.186 2.244 8.611 725 1HG MET 1 2HG MET 1 28.711 4.319 8.565 726 2HG MET 1 1HG MET 1 29.554 3.534 9.900 727 1HE MET 1 1HE MET 1 32.219 2.338 7.602 728 2HE MET 1 2HE MET 1 31.739 2.179 9.292 729 3HE MET 1 3HE MET 1 31.668 3.753 8.500 730 H CYS 2 H CYS 2 26.126 3.037 7.675 731 HA CYS 2 HA CYS 2 23.231 3.446 7.944 732 1HB CYS 2 2HB CYS 2 23.137 3.941 5.692 733 2HB CYS 2 1HB CYS 2 24.748 4.527 6.090 734 HG CYS 2 HG CYS 2 25.520 3.082 4.280 735 H ASP 3 H ASP 3 21.867 1.779 7.924 736 HA ASP 3 HA ASP 3 22.700 -0.756 6.729 737 1HB ASP 3 2HB ASP 3 22.093 -0.286 9.608 738 2HB ASP 3 1HB ASP 3 21.522 -1.786 8.883 739 H ARG 4 H ARG 4 20.549 -2.300 7.528 740 HA ARG 4 HA ARG 4 18.358 -0.967 6.101 741 1HB ARG 4 2HB ARG 4 17.658 -3.636 6.394 742 2HB ARG 4 1HB ARG 4 18.343 -2.890 4.956 743 1HG ARG 4 2HG ARG 4 20.392 -3.596 6.872 744 2HG ARG 4 1HG ARG 4 19.411 -4.989 6.408 745 1HD ARG 4 2HD ARG 4 20.409 -5.095 4.425 746 2HD ARG 4 1HD ARG 4 20.027 -3.406 4.096 747 HE ARG 4 HE ARG 4 22.154 -2.811 4.771 748 1HH1 ARG 4 1HH1 ARG 4 21.558 -6.170 5.473 749 2HH1 ARG 4 2HH1 ARG 4 23.216 -6.524 5.826 750 1HH2 ARG 4 1HH2 ARG 4 24.342 -3.269 5.234 751 2HH2 ARG 4 2HH2 ARG 4 24.797 -4.876 5.692 752 H LYS 5 H LYS 5 18.835 -3.192 8.846 753 HA LYS 5 HA LYS 5 17.570 -3.600 10.700 754 1HB LYS 5 2HB LYS 5 18.545 -1.338 11.163 755 2HB LYS 5 1HB LYS 5 17.050 -0.626 10.571 756 1HG LYS 5 2HG LYS 5 16.842 -0.640 12.898 757 2HG LYS 5 1HG LYS 5 15.871 -2.009 12.349 758 1HD LYS 5 2HD LYS 5 18.643 -2.731 12.851 759 2HD LYS 5 1HD LYS 5 17.844 -2.075 14.281 760 1HE LYS 5 2HE LYS 5 15.917 -3.719 13.463 761 2HE LYS 5 1HE LYS 5 17.297 -4.564 12.763 762 1HZ LYS 5 1HZ LYS 5 17.445 -3.711 15.566 763 2HZ LYS 5 2HZ LYS 5 18.159 -5.044 14.808 764 3HZ LYS 5 3HZ LYS 5 16.510 -5.070 15.184 765 H ALA 6 H ALA 6 16.205 -3.766 8.121 766 HA ALA 6 HA ALA 6 13.449 -3.310 9.048 767 1HB ALA 6 1HB ALA 6 14.103 -1.790 7.196 768 2HB ALA 6 2HB ALA 6 12.753 -2.853 6.795 769 3HB ALA 6 3HB ALA 6 14.368 -3.207 6.181 770 H VAL 7 H VAL 7 12.082 -4.639 7.101 771 HA VAL 7 HA VAL 7 13.166 -7.309 6.803 772 HB VAL 7 HB VAL 7 10.621 -6.905 8.377 773 1HG1 VAL 7 1HG1 VAL 7 10.529 -8.926 7.102 774 2HG1 VAL 7 2HG1 VAL 7 10.856 -9.355 8.782 775 3HG1 VAL 7 3HG1 VAL 7 12.162 -9.374 7.596 776 1HG2 VAL 7 1HG2 VAL 7 12.393 -6.270 9.816 777 2HG2 VAL 7 2HG2 VAL 7 13.408 -7.606 9.272 778 3HG2 VAL 7 3HG2 VAL 7 11.976 -7.928 10.249 779 H ILE 8 H ILE 8 12.902 -6.482 4.584 780 HA ILE 8 HA ILE 8 10.754 -5.626 3.251 781 HB ILE 8 HB ILE 8 12.899 -7.531 2.528 782 1HG1 ILE 8 2HG1 ILE 8 13.020 -5.905 0.573 783 2HG1 ILE 8 1HG1 ILE 8 11.756 -4.987 1.385 784 1HG2 ILE 8 1HG2 ILE 8 11.920 -7.855 0.230 785 2HG2 ILE 8 2HG2 ILE 8 10.374 -7.340 0.904 786 3HG2 ILE 8 3HG2 ILE 8 11.164 -8.791 1.519 787 1HD1 ILE 8 1HD1 ILE 8 13.546 -3.893 2.208 788 2HD1 ILE 8 2HD1 ILE 8 14.614 -5.287 2.048 789 3HD1 ILE 8 3HD1 ILE 8 13.486 -5.191 3.400 790 H LYS 9 H LYS 9 8.863 -6.426 2.347 791 HA LYS 9 HA LYS 9 7.946 -9.023 3.408 792 1HB LYS 9 2HB LYS 9 6.145 -6.663 2.871 793 2HB LYS 9 1HB LYS 9 5.761 -8.139 3.745 794 1HG LYS 9 2HG LYS 9 7.896 -6.303 4.744 795 2HG LYS 9 1HG LYS 9 6.193 -5.968 5.065 796 1HD LYS 9 2HD LYS 9 7.211 -7.212 6.905 797 2HD LYS 9 1HD LYS 9 5.954 -8.164 6.111 798 1HE LYS 9 2HE LYS 9 7.710 -9.318 4.806 799 2HE LYS 9 1HE LYS 9 8.932 -8.422 5.705 800 1HZ LYS 9 1HZ LYS 9 8.811 -10.391 6.858 801 2HZ LYS 9 2HZ LYS 9 7.142 -10.563 6.639 802 3HZ LYS 9 3HZ LYS 9 7.737 -9.432 7.746 803 H ASN 10 H ASN 10 8.262 -6.899 0.729 804 HA ASN 10 HA ASN 10 7.447 -9.001 -1.091 805 1HB ASN 10 2HB ASN 10 5.503 -7.221 -0.385 806 2HB ASN 10 1HB ASN 10 6.202 -6.418 -1.787 807 1HD2 ASN 10 1HD2 ASN 10 4.841 -6.759 -3.394 808 2HD2 ASN 10 2HD2 ASN 10 4.207 -8.293 -3.873 809 H ALA 11 H ALA 11 7.537 -5.565 -1.800 810 HA ALA 11 HA ALA 11 8.910 -4.297 -3.097 811 1HB ALA 11 1HB ALA 11 11.284 -5.979 -2.582 812 2HB ALA 11 2HB ALA 11 10.472 -5.302 -1.171 813 3HB ALA 11 3HB ALA 11 11.073 -4.233 -2.439 814 H ASP 12 H ASP 12 8.864 -4.289 -5.233 815 HA ASP 12 HA ASP 12 9.682 -6.718 -6.672 816 1HB ASP 12 2HB ASP 12 7.283 -5.085 -6.898 817 2HB ASP 12 1HB ASP 12 8.120 -5.235 -8.440 818 H MET 13 H MET 13 11.220 -4.373 -5.766 819 HA MET 13 HA MET 13 12.072 -3.268 -8.355 820 1HB MET 13 2HB MET 13 11.565 -1.439 -7.012 821 2HB MET 13 1HB MET 13 12.141 -2.224 -5.549 822 1HG MET 13 2HG MET 13 14.336 -1.691 -5.960 823 2HG MET 13 1HG MET 13 14.087 -1.544 -7.700 824 1HE MET 13 1HE MET 13 12.293 -0.184 -4.591 825 2HE MET 13 2HE MET 13 12.599 1.552 -4.634 826 3HE MET 13 3HE MET 13 13.897 0.439 -4.205 827 H SER 14 H SER 14 14.484 -2.732 -8.403 828 HA SER 14 HA SER 14 15.979 -5.056 -8.364 829 1HB SER 14 2HB SER 14 17.464 -2.526 -7.901 830 2HB SER 14 1HB SER 14 17.710 -3.771 -9.125 831 HG SER 14 HG SER 14 16.073 -2.910 -10.330 832 H GLU 15 H GLU 15 17.120 -6.154 -6.878 833 HA GLU 15 HA GLU 15 16.693 -6.028 -4.203 834 1HB GLU 15 2HB GLU 15 19.404 -6.785 -4.430 835 2HB GLU 15 1HB GLU 15 17.998 -7.832 -4.307 836 1HG GLU 15 2HG GLU 15 18.129 -8.448 -6.442 837 2HG GLU 15 1HG GLU 15 18.419 -6.799 -6.995 838 H GLU 16 H GLU 16 19.724 -4.798 -5.629 839 HA GLU 16 HA GLU 16 20.776 -3.509 -3.483 840 1HB GLU 16 2HB GLU 16 21.046 -3.305 -6.354 841 2HB GLU 16 1HB GLU 16 21.227 -1.726 -5.601 842 1HG GLU 16 2HG GLU 16 23.013 -2.508 -4.226 843 2HG GLU 16 1HG GLU 16 22.751 -4.172 -4.747 844 H MET 17 H MET 17 18.115 -2.415 -5.489 845 HA MET 17 HA MET 17 18.007 0.219 -4.391 846 1HB MET 17 2HB MET 17 16.169 -1.430 -6.097 847 2HB MET 17 1HB MET 17 15.622 0.098 -5.421 848 1HG MET 17 2HG MET 17 18.164 0.527 -6.592 849 2HG MET 17 1HG MET 17 17.173 -0.363 -7.747 850 1HE MET 17 1HE MET 17 17.327 2.727 -5.378 851 2HE MET 17 2HE MET 17 15.711 2.116 -5.023 852 3HE MET 17 3HE MET 17 15.908 3.654 -5.862 853 H GLN 18 H GLN 18 16.559 -2.867 -3.586 854 HA GLN 18 HA GLN 18 14.586 -1.864 -1.813 855 1HB GLN 18 2HB GLN 18 15.719 -4.556 -1.315 856 2HB GLN 18 1HB GLN 18 14.041 -4.042 -1.422 857 1HG GLN 18 2HG GLN 18 15.854 -4.268 -3.806 858 2HG GLN 18 1HG GLN 18 14.829 -5.583 -3.234 859 1HE2 GLN 18 1HE2 GLN 18 12.775 -5.649 -3.876 860 2HE2 GLN 18 2HE2 GLN 18 11.965 -4.404 -4.757 861 H GLN 19 H GLN 19 17.935 -2.870 -1.401 862 HA GLN 19 HA GLN 19 17.899 -2.693 1.451 863 1HB GLN 19 2HB GLN 19 19.690 -3.627 -0.512 864 2HB GLN 19 1HB GLN 19 20.529 -2.325 0.320 865 1HG GLN 19 2HG GLN 19 19.325 -3.863 2.323 866 2HG GLN 19 1HG GLN 19 20.020 -5.010 1.178 867 1HE2 GLN 19 1HE2 GLN 19 21.726 -5.697 2.356 868 2HE2 GLN 19 2HE2 GLN 19 23.026 -4.683 2.870 869 H ASP 20 H ASP 20 18.765 -0.586 -1.219 870 HA ASP 20 HA ASP 20 19.806 1.503 0.407 871 1HB ASP 20 2HB ASP 20 19.728 0.962 -2.327 872 2HB ASP 20 1HB ASP 20 18.726 2.398 -2.142 873 H SER 21 H SER 21 16.671 0.662 -0.892 874 HA SER 21 HA SER 21 15.331 3.076 -0.323 875 1HB SER 21 2HB SER 21 13.931 1.849 -1.626 876 2HB SER 21 1HB SER 21 14.575 0.316 -1.038 877 HG SER 21 HG SER 21 12.819 1.988 0.437 878 H VAL 22 H VAL 22 15.913 0.141 1.542 879 HA VAL 22 HA VAL 22 14.332 0.799 3.782 880 HB VAL 22 HB VAL 22 16.858 -0.856 3.796 881 1HG1 VAL 22 1HG1 VAL 22 14.552 -1.518 5.509 882 2HG1 VAL 22 2HG1 VAL 22 15.431 -0.045 5.920 883 3HG1 VAL 22 3HG1 VAL 22 16.281 -1.588 5.849 884 1HG2 VAL 22 1HG2 VAL 22 15.755 -2.092 2.263 885 2HG2 VAL 22 2HG2 VAL 22 14.188 -1.393 2.672 886 3HG2 VAL 22 3HG2 VAL 22 14.870 -2.673 3.673 887 H GLU 23 H GLU 23 17.754 1.343 3.033 888 HA GLU 23 HA GLU 23 18.530 2.490 5.458 889 1HB GLU 23 2HB GLU 23 19.551 3.243 2.713 890 2HB GLU 23 1HB GLU 23 20.397 3.445 4.240 891 1HG GLU 23 2HG GLU 23 20.730 1.129 4.480 892 2HG GLU 23 1HG GLU 23 19.565 0.752 3.211 893 H CYS 24 H CYS 24 16.992 3.907 2.620 894 HA CYS 24 HA CYS 24 17.170 6.606 3.481 895 1HB CYS 24 2HB CYS 24 16.190 5.225 1.211 896 2HB CYS 24 1HB CYS 24 14.855 6.186 1.836 897 HG CYS 24 HG CYS 24 16.324 8.318 1.513 898 H ALA 25 H ALA 25 14.816 4.036 3.953 899 HA ALA 25 HA ALA 25 12.848 5.695 5.204 900 1HB ALA 25 1HB ALA 25 11.875 3.523 5.954 901 2HB ALA 25 2HB ALA 25 13.260 2.702 5.236 902 3HB ALA 25 3HB ALA 25 12.144 3.608 4.214 903 H THR 26 H THR 26 15.661 3.935 6.101 904 HA THR 26 HA THR 26 15.271 4.002 8.927 905 HB THR 26 HB THR 26 17.876 3.715 7.428 906 HG1 THR 26 1HG THR 26 17.408 1.640 7.090 907 1HG2 THR 26 1HG2 THR 26 17.068 3.360 10.191 908 2HG2 THR 26 2HG2 THR 26 18.675 3.531 9.483 909 3HG2 THR 26 3HG2 THR 26 17.885 1.954 9.507 910 H GLN 27 H GLN 27 16.935 5.977 6.530 911 HA GLN 27 HA GLN 27 18.300 7.708 8.247 912 1HB GLN 27 2HB GLN 27 17.731 7.554 5.459 913 2HB GLN 27 1HB GLN 27 17.339 9.181 5.996 914 1HG GLN 27 2HG GLN 27 19.616 9.290 7.031 915 2HG GLN 27 1HG GLN 27 19.976 7.759 6.236 916 1HE2 GLN 27 1HE2 GLN 27 21.143 8.036 4.488 917 2HE2 GLN 27 2HE2 GLN 27 21.003 9.335 3.358 918 H ALA 28 H ALA 28 15.030 7.806 6.933 919 HA ALA 28 HA ALA 28 14.289 10.272 8.143 920 1HB ALA 28 1HB ALA 28 11.974 9.564 7.612 921 2HB ALA 28 2HB ALA 28 12.599 7.991 7.122 922 3HB ALA 28 3HB ALA 28 13.065 9.441 6.232 923 H LEU 29 H LEU 29 14.076 6.891 9.077 924 HA LEU 29 HA LEU 29 12.455 7.197 11.351 925 1HB LEU 29 2HB LEU 29 14.437 5.132 10.475 926 2HB LEU 29 1HB LEU 29 13.688 5.033 12.058 927 HG LEU 29 HG LEU 29 11.777 5.425 9.872 928 1HD1 LEU 29 1HD1 LEU 29 13.852 3.701 9.301 929 2HD1 LEU 29 2HD1 LEU 29 12.254 3.706 8.554 930 3HD1 LEU 29 3HD1 LEU 29 12.584 2.645 9.925 931 1HD2 LEU 29 1HD2 LEU 29 11.766 3.131 11.761 932 2HD2 LEU 29 2HD2 LEU 29 10.432 4.127 11.180 933 3HD2 LEU 29 3HD2 LEU 29 11.530 4.754 12.410 934 H GLU 30 H GLU 30 15.942 7.371 10.881 935 HA GLU 30 HA GLU 30 16.487 7.730 13.690 936 1HB GLU 30 2HB GLU 30 17.999 7.160 11.318 937 2HB GLU 30 1HB GLU 30 18.714 8.540 12.142 938 1HG GLU 30 2HG GLU 30 18.534 7.062 14.256 939 2HG GLU 30 1HG GLU 30 18.367 5.735 13.108 940 H LYS 31 H LYS 31 15.773 9.732 10.976 941 HA LYS 31 HA LYS 31 16.837 12.140 12.196 942 1HB LYS 31 2HB LYS 31 15.674 11.402 9.576 943 2HB LYS 31 1HB LYS 31 15.387 13.053 10.107 944 1HG LYS 31 2HG LYS 31 17.464 13.662 9.618 945 2HG LYS 31 1HG LYS 31 18.148 12.282 10.482 946 1HD LYS 31 2HD LYS 31 18.457 11.118 8.593 947 2HD LYS 31 1HD LYS 31 16.863 11.543 7.971 948 1HE LYS 31 2HE LYS 31 19.352 12.500 7.104 949 2HE LYS 31 1HE LYS 31 17.754 13.039 6.593 950 1HZ LYS 31 1HZ LYS 31 19.516 14.673 7.653 951 2HZ LYS 31 2HZ LYS 31 18.801 14.135 9.089 952 3HZ LYS 31 3HZ LYS 31 17.853 14.872 7.898 953 H TYR 32 H TYR 32 13.839 10.432 11.975 954 HA TYR 32 HA TYR 32 12.615 12.236 13.859 955 1HB TYR 32 2HB TYR 32 10.757 11.853 11.641 956 2HB TYR 32 1HB TYR 32 11.160 13.321 12.528 957 HD1 TYR 32 1HD TYR 32 11.830 11.322 9.556 958 HD2 TYR 32 2HD TYR 32 13.013 14.754 11.776 959 HE1 TYR 32 1HE TYR 32 13.082 12.146 7.607 960 HE2 TYR 32 2HE TYR 32 14.267 15.587 9.832 961 HH TYR 32 HH TYR 32 13.967 15.097 7.100 962 H ASN 33 H ASN 33 10.225 11.449 14.231 963 HA ASN 33 HA ASN 33 10.105 8.527 13.953 964 1HB ASN 33 2HB ASN 33 9.271 8.371 16.292 965 2HB ASN 33 1HB ASN 33 10.937 8.933 16.190 966 1HD2 ASN 33 1HD2 ASN 33 11.311 10.383 17.690 967 2HD2 ASN 33 2HD2 ASN 33 10.249 11.659 18.166 968 H ILE 34 H ILE 34 8.756 10.441 12.390 969 HA ILE 34 HA ILE 34 5.970 10.016 13.261 970 HB ILE 34 HB ILE 34 6.724 12.232 11.394 971 1HG1 ILE 34 2HG1 ILE 34 8.131 12.465 13.424 972 2HG1 ILE 34 1HG1 ILE 34 6.963 13.771 13.245 973 1HG2 ILE 34 1HG2 ILE 34 4.539 12.242 13.431 974 2HG2 ILE 34 2HG2 ILE 34 4.339 11.386 11.903 975 3HG2 ILE 34 3HG2 ILE 34 4.648 13.122 11.907 976 1HD1 ILE 34 1HD1 ILE 34 6.107 13.334 15.229 977 2HD1 ILE 34 2HD1 ILE 34 7.378 12.134 15.466 978 3HD1 ILE 34 3HD1 ILE 34 5.823 11.650 14.788 979 H GLU 35 H GLU 35 5.274 8.318 12.093 980 HA GLU 35 HA GLU 35 6.083 7.110 9.896 981 1HB GLU 35 2HB GLU 35 3.174 7.886 10.080 982 2HB GLU 35 1HB GLU 35 3.858 6.419 9.391 983 1HG GLU 35 2HG GLU 35 3.326 5.486 11.341 984 2HG GLU 35 1HG GLU 35 4.766 6.299 11.953 985 H LYS 36 H LYS 36 3.604 9.626 9.417 986 HA LYS 36 HA LYS 36 3.891 9.957 6.714 987 1HB LYS 36 2HB LYS 36 3.407 12.537 7.557 988 2HB LYS 36 1HB LYS 36 2.185 11.305 7.278 989 1HG LYS 36 2HG LYS 36 1.856 10.923 9.504 990 2HG LYS 36 1HG LYS 36 3.500 11.395 9.940 991 1HD LYS 36 2HD LYS 36 1.455 13.362 8.936 992 2HD LYS 36 1HD LYS 36 1.645 12.975 10.648 993 1HE LYS 36 2HE LYS 36 3.154 14.628 10.671 994 2HE LYS 36 1HE LYS 36 4.222 13.475 9.871 995 1HZ LYS 36 1HZ LYS 36 4.348 15.098 8.343 996 2HZ LYS 36 2HZ LYS 36 2.885 15.814 8.798 997 3HZ LYS 36 3HZ LYS 36 2.884 14.458 7.788 998 H ASP 37 H ASP 37 5.838 11.362 9.286 999 HA ASP 37 HA ASP 37 7.340 13.123 7.655 1000 1HB ASP 37 2HB ASP 37 7.109 13.023 10.251 1001 2HB ASP 37 1HB ASP 37 8.448 11.883 10.156 1002 H ILE 38 H ILE 38 8.299 10.019 9.132 1003 HA ILE 38 HA ILE 38 10.727 9.660 7.922 1004 HB ILE 38 HB ILE 38 8.811 7.362 8.224 1005 1HG1 ILE 38 2HG1 ILE 38 10.468 8.346 10.517 1006 2HG1 ILE 38 1HG1 ILE 38 8.905 9.092 10.201 1007 1HG2 ILE 38 1HG2 ILE 38 11.418 7.450 7.448 1008 2HG2 ILE 38 2HG2 ILE 38 10.629 6.052 8.178 1009 3HG2 ILE 38 3HG2 ILE 38 11.570 7.156 9.180 1010 1HD1 ILE 38 1HD1 ILE 38 8.168 6.530 10.148 1011 2HD1 ILE 38 2HD1 ILE 38 8.218 7.490 11.627 1012 3HD1 ILE 38 3HD1 ILE 38 9.554 6.408 11.232 1013 H ALA 39 H ALA 39 7.546 8.730 6.641 1014 HA ALA 39 HA ALA 39 8.375 7.533 4.273 1015 1HB ALA 39 1HB ALA 39 6.027 7.672 5.283 1016 2HB ALA 39 2HB ALA 39 6.166 7.735 3.526 1017 3HB ALA 39 3HB ALA 39 5.897 9.218 4.443 1018 H ALA 40 H ALA 40 7.503 10.933 4.866 1019 HA ALA 40 HA ALA 40 7.945 11.909 2.296 1020 1HB ALA 40 1HB ALA 40 8.447 13.391 4.876 1021 2HB ALA 40 2HB ALA 40 6.860 13.163 4.141 1022 3HB ALA 40 3HB ALA 40 8.096 14.095 3.297 1023 H HIS 41 H HIS 41 10.177 12.168 5.070 1024 HA HIS 41 HA HIS 41 12.398 13.179 3.966 1025 1HB HIS 41 2HB HIS 41 12.684 12.614 6.193 1026 2HB HIS 41 1HB HIS 41 12.006 11.005 5.981 1027 HD1 HIS 41 1HD HIS 41 15.065 12.486 6.795 1028 HD2 HIS 41 2HD HIS 41 13.985 9.453 4.168 1029 HE1 HIS 41 1HE HIS 41 17.166 11.162 6.396 1030 HE2 HIS 41 2HE HIS 41 16.506 9.382 4.740 1031 H ILE 42 H ILE 42 11.616 9.705 3.844 1032 HA ILE 42 HA ILE 42 13.707 8.833 2.273 1033 HB ILE 42 HB ILE 42 10.862 7.832 2.104 1034 1HG1 ILE 42 2HG1 ILE 42 12.968 6.568 3.812 1035 2HG1 ILE 42 1HG1 ILE 42 12.128 7.993 4.415 1036 1HG2 ILE 42 1HG2 ILE 42 13.480 6.468 1.491 1037 2HG2 ILE 42 2HG2 ILE 42 12.292 7.016 0.308 1038 3HG2 ILE 42 3HG2 ILE 42 11.886 5.717 1.430 1039 1HD1 ILE 42 1HD1 ILE 42 10.926 6.196 5.274 1040 2HD1 ILE 42 2HD1 ILE 42 11.012 5.295 3.760 1041 3HD1 ILE 42 3HD1 ILE 42 9.979 6.719 3.882 1042 H LYS 43 H LYS 43 10.436 9.351 0.954 1043 HA LYS 43 HA LYS 43 10.854 9.248 -1.677 1044 1HB LYS 43 2HB LYS 43 8.690 9.842 -0.701 1045 2HB LYS 43 1HB LYS 43 9.294 11.442 -0.300 1046 1HG LYS 43 2HG LYS 43 9.487 10.644 -3.134 1047 2HG LYS 43 1HG LYS 43 7.863 10.914 -2.495 1048 1HD LYS 43 2HD LYS 43 9.517 13.019 -1.562 1049 2HD LYS 43 1HD LYS 43 9.812 12.836 -3.292 1050 1HE LYS 43 2HE LYS 43 7.434 13.793 -1.871 1051 2HE LYS 43 1HE LYS 43 7.998 14.145 -3.503 1052 1HZ LYS 43 1HZ LYS 43 6.364 12.843 -4.204 1053 2HZ LYS 43 2HZ LYS 43 6.021 12.287 -2.644 1054 3HZ LYS 43 3HZ LYS 43 7.208 11.520 -3.572 1055 H LYS 44 H LYS 44 11.183 12.373 0.021 1056 HA LYS 44 HA LYS 44 12.265 13.873 -1.983 1057 1HB LYS 44 2HB LYS 44 13.117 13.965 0.915 1058 2HB LYS 44 1HB LYS 44 13.296 15.262 -0.259 1059 1HG LYS 44 2HG LYS 44 10.570 14.488 -0.223 1060 2HG LYS 44 1HG LYS 44 11.106 14.704 1.445 1061 1HD LYS 44 2HD LYS 44 10.380 16.832 0.803 1062 2HD LYS 44 1HD LYS 44 12.135 16.906 0.622 1063 1HE LYS 44 2HE LYS 44 11.840 17.542 -1.485 1064 2HE LYS 44 1HE LYS 44 11.143 15.958 -1.823 1065 1HZ LYS 44 1HZ LYS 44 9.739 17.947 -2.405 1066 2HZ LYS 44 2HZ LYS 44 9.535 18.198 -0.746 1067 3HZ LYS 44 3HZ LYS 44 8.984 16.766 -1.457 1068 H GLU 45 H GLU 45 13.979 11.646 0.160 1069 HA GLU 45 HA GLU 45 16.573 12.251 -0.828 1070 1HB GLU 45 2HB GLU 45 15.564 10.785 1.274 1071 2HB GLU 45 1HB GLU 45 16.206 9.539 0.212 1072 1HG GLU 45 2HG GLU 45 17.864 10.217 1.835 1073 2HG GLU 45 1HG GLU 45 18.376 10.660 0.207 1074 H PHE 46 H PHE 46 14.220 9.710 -1.576 1075 HA PHE 46 HA PHE 46 15.844 8.322 -3.422 1076 1HB PHE 46 2HB PHE 46 13.067 8.242 -2.527 1077 2HB PHE 46 1HB PHE 46 13.242 7.852 -4.235 1078 HD1 PHE 46 1HD PHE 46 14.500 6.962 -0.864 1079 HD2 PHE 46 2HD PHE 46 13.947 5.739 -4.901 1080 HE1 PHE 46 1HE PHE 46 15.199 4.681 -0.265 1081 HE2 PHE 46 2HE PHE 46 14.642 3.455 -4.310 1082 HZ PHE 46 HZ PHE 46 15.272 2.924 -1.988 1083 H ASP 47 H ASP 47 13.792 11.124 -3.693 1084 HA ASP 47 HA ASP 47 13.630 11.121 -6.542 1085 1HB ASP 47 2HB ASP 47 12.304 12.949 -6.292 1086 2HB ASP 47 1HB ASP 47 12.266 12.428 -4.612 1087 H LYS 48 H LYS 48 15.723 12.677 -4.167 1088 HA LYS 48 HA LYS 48 17.251 13.987 -6.262 1089 1HB LYS 48 2HB LYS 48 16.973 14.256 -3.350 1090 2HB LYS 48 1HB LYS 48 18.618 14.460 -3.935 1091 1HG LYS 48 2HG LYS 48 16.402 15.922 -5.288 1092 2HG LYS 48 1HG LYS 48 17.010 16.506 -3.738 1093 1HD LYS 48 2HD LYS 48 18.250 17.653 -5.386 1094 2HD LYS 48 1HD LYS 48 19.325 16.400 -4.764 1095 1HE LYS 48 2HE LYS 48 18.722 14.972 -6.683 1096 2HE LYS 48 1HE LYS 48 17.720 16.279 -7.314 1097 1HZ LYS 48 1HZ LYS 48 20.631 16.038 -7.239 1098 2HZ LYS 48 2HZ LYS 48 19.978 17.586 -7.050 1099 3HZ LYS 48 3HZ LYS 48 19.630 16.686 -8.439 1100 H LYS 49 H LYS 49 17.313 11.089 -4.470 1101 HA LYS 49 HA LYS 49 20.173 10.680 -4.775 1102 1HB LYS 49 2HB LYS 49 18.577 9.866 -2.831 1103 2HB LYS 49 1HB LYS 49 18.317 8.505 -3.913 1104 1HG LYS 49 2HG LYS 49 20.901 8.387 -3.995 1105 2HG LYS 49 1HG LYS 49 20.820 9.362 -2.527 1106 1HD LYS 49 2HD LYS 49 20.307 7.575 -1.306 1107 2HD LYS 49 1HD LYS 49 18.953 7.185 -2.370 1108 1HE LYS 49 2HE LYS 49 21.777 6.216 -2.455 1109 2HE LYS 49 1HE LYS 49 20.276 5.298 -2.552 1110 1HZ LYS 49 1HZ LYS 49 21.272 5.318 -4.693 1111 2HZ LYS 49 2HZ LYS 49 21.478 6.996 -4.667 1112 3HZ LYS 49 3HZ LYS 49 19.923 6.338 -4.767 1113 H TYR 50 H TYR 50 17.151 9.560 -6.181 1114 HA TYR 50 HA TYR 50 18.715 8.175 -8.257 1115 1HB TYR 50 2HB TYR 50 15.921 7.361 -7.486 1116 2HB TYR 50 1HB TYR 50 17.119 6.445 -8.394 1117 HD1 TYR 50 1HD TYR 50 18.477 4.889 -7.301 1118 HD2 TYR 50 2HD TYR 50 16.431 7.831 -5.005 1119 HE1 TYR 50 1HE TYR 50 19.178 3.757 -5.235 1120 HE2 TYR 50 2HE TYR 50 17.127 6.707 -2.934 1121 HH TYR 50 HH TYR 50 17.821 4.392 -2.239 1122 H ASN 51 H ASN 51 15.461 9.494 -7.649 1123 HA ASN 51 HA ASN 51 15.219 11.531 -9.325 1124 1HB ASN 51 2HB ASN 51 14.583 10.755 -11.533 1125 2HB ASN 51 1HB ASN 51 16.180 10.119 -11.147 1126 1HD2 ASN 51 1HD2 ASN 51 12.923 9.381 -11.892 1127 2HD2 ASN 51 2HD2 ASN 51 13.075 7.660 -11.885 1128 HA PRO 52 HA PRO 52 11.268 10.781 -7.364 1129 1HB PRO 52 2HB PRO 52 10.062 13.055 -8.364 1130 2HB PRO 52 1HB PRO 52 11.038 12.990 -6.894 1131 1HG PRO 52 2HG PRO 52 11.808 13.852 -9.648 1132 2HG PRO 52 1HG PRO 52 12.262 14.553 -8.083 1133 1HD PRO 52 2HD PRO 52 13.955 13.000 -9.468 1134 2HD PRO 52 1HD PRO 52 13.889 12.947 -7.693 1135 H THR 53 H THR 53 8.622 10.133 -9.698 1136 HA THR 53 HA THR 53 9.470 11.166 -7.082 1137 HB THR 53 HB THR 53 7.552 12.287 -8.456 1138 HG1 THR 53 1HG THR 53 8.149 12.624 -6.188 1139 1HG2 THR 53 1HG2 THR 53 6.406 9.741 -8.082 1140 2HG2 THR 53 2HG2 THR 53 5.679 11.181 -8.791 1141 3HG2 THR 53 3HG2 THR 53 5.525 10.877 -7.062 1142 H TRP 54 H TRP 54 9.738 9.711 -5.565 1143 HA TRP 54 HA TRP 54 8.611 7.047 -5.894 1144 1HB TRP 54 2HB TRP 54 10.516 8.097 -3.793 1145 2HB TRP 54 1HB TRP 54 10.088 6.411 -4.051 1146 HD1 TRP 54 HD TRP 54 11.675 9.268 -6.158 1147 HE1 TRP 54 1HE TRP 54 13.537 8.233 -7.599 1148 HE3 TRP 54 3HE TRP 54 11.134 4.379 -4.778 1149 HZ2 TRP 54 2HZ TRP 54 14.638 5.669 -8.082 1150 HZ3 TRP 54 3HZ TRP 54 12.628 2.697 -5.773 1151 HH2 TRP 54 HH TRP 54 14.341 3.328 -7.389 1152 H HIS 55 H HIS 55 6.655 6.639 -5.083 1153 HA HIS 55 HA HIS 55 5.477 8.254 -3.029 1154 1HB HIS 55 2HB HIS 55 4.527 5.565 -4.046 1155 2HB HIS 55 1HB HIS 55 3.569 6.772 -3.196 1156 HD1 HIS 55 1HD HIS 55 5.191 8.952 -5.233 1157 HD2 HIS 55 2HD HIS 55 2.486 5.917 -6.090 1158 HE1 HIS 55 1HE HIS 55 4.206 9.542 -7.470 1159 HE2 HIS 55 2HE HIS 55 2.623 7.655 -8.000 1160 H CYS 56 H CYS 56 6.005 8.099 -0.944 1161 HA CYS 56 HA CYS 56 6.918 5.480 0.038 1162 1HB CYS 56 2HB CYS 56 7.586 8.084 1.369 1163 2HB CYS 56 1HB CYS 56 8.425 6.540 1.480 1164 HG CYS 56 HG CYS 56 8.744 7.385 -1.305 1165 H ILE 57 H ILE 57 6.020 4.572 1.753 1166 HA ILE 57 HA ILE 57 4.201 6.118 3.447 1167 HB ILE 57 HB ILE 57 3.452 3.525 2.100 1168 1HG1 ILE 57 2HG1 ILE 57 2.433 6.362 1.922 1169 2HG1 ILE 57 1HG1 ILE 57 3.073 5.360 0.624 1170 1HG2 ILE 57 1HG2 ILE 57 2.420 4.892 4.524 1171 2HG2 ILE 57 2HG2 ILE 57 2.478 3.174 4.130 1172 3HG2 ILE 57 3HG2 ILE 57 1.232 4.199 3.418 1173 1HD1 ILE 57 1HD1 ILE 57 1.123 3.950 0.708 1174 2HD1 ILE 57 2HD1 ILE 57 0.643 5.637 0.515 1175 3HD1 ILE 57 3HD1 ILE 57 0.498 4.853 2.088 1176 H VAL 58 H VAL 58 5.272 5.947 5.322 1177 HA VAL 58 HA VAL 58 6.225 3.283 6.130 1178 HB VAL 58 HB VAL 58 8.076 4.771 6.016 1179 1HG1 VAL 58 1HG1 VAL 58 7.188 6.716 8.004 1180 2HG1 VAL 58 2HG1 VAL 58 6.267 6.761 6.500 1181 3HG1 VAL 58 3HG1 VAL 58 8.019 6.960 6.468 1182 1HG2 VAL 58 1HG2 VAL 58 8.034 5.117 8.833 1183 2HG2 VAL 58 2HG2 VAL 58 8.864 3.880 7.890 1184 3HG2 VAL 58 3HG2 VAL 58 7.218 3.599 8.456 1185 H GLY 59 H GLY 59 5.267 2.311 7.759 1186 1HA GLY 59 2HA GLY 59 4.021 3.891 9.880 1187 2HA GLY 59 1HA GLY 59 2.995 2.773 8.991 1188 H ARG 60 H ARG 60 2.606 1.111 10.315 1189 HA ARG 60 HA ARG 60 4.729 -0.617 11.079 1190 1HB ARG 60 2HB ARG 60 4.065 -0.467 13.559 1191 2HB ARG 60 1HB ARG 60 5.126 0.770 12.899 1192 1HG ARG 60 2HG ARG 60 2.948 2.100 12.511 1193 2HG ARG 60 1HG ARG 60 2.251 0.975 13.679 1194 1HD ARG 60 2HD ARG 60 4.829 2.180 14.441 1195 2HD ARG 60 1HD ARG 60 3.466 3.293 14.347 1196 HE ARG 60 HE ARG 60 2.629 1.074 15.799 1197 1HH1 ARG 60 1HH1 ARG 60 4.958 3.647 16.081 1198 2HH1 ARG 60 2HH1 ARG 60 4.915 3.673 17.812 1199 1HH2 ARG 60 1HH2 ARG 60 2.565 1.097 18.082 1200 2HH2 ARG 60 2HH2 ARG 60 3.554 2.223 18.949 1201 H ASN 61 H ASN 61 1.632 -0.024 10.235 1202 HA ASN 61 HA ASN 61 0.842 -2.722 10.384 1203 1HB ASN 61 2HB ASN 61 0.318 -1.189 12.747 1204 2HB ASN 61 1HB ASN 61 -1.213 -1.600 11.979 1205 1HD2 ASN 61 1HD2 ASN 61 -1.023 -2.697 14.281 1206 2HD2 ASN 61 2HD2 ASN 61 -0.558 -4.360 14.219 1207 H PHE 62 H PHE 62 0.933 -0.554 8.487 1208 HA PHE 62 HA PHE 62 -1.872 0.058 7.971 1209 1HB PHE 62 2HB PHE 62 -1.105 1.628 6.353 1210 2HB PHE 62 1HB PHE 62 -0.042 1.795 7.747 1211 HD1 PHE 62 1HD PHE 62 2.106 0.231 7.639 1212 HD2 PHE 62 2HD PHE 62 -0.138 1.566 4.278 1213 HE1 PHE 62 1HE PHE 62 4.063 -0.133 6.192 1214 HE2 PHE 62 2HE PHE 62 1.816 1.205 2.826 1215 HZ PHE 62 HZ PHE 62 3.919 0.353 3.782 1216 H GLY 63 H GLY 63 -2.682 -0.211 5.732 1217 1HA GLY 63 2HA GLY 63 -1.661 -2.724 4.558 1218 2HA GLY 63 1HA GLY 63 -3.370 -2.312 4.627 1219 H SER 64 H SER 64 -0.275 -1.390 3.214 1220 HA SER 64 HA SER 64 -1.463 0.427 1.341 1221 1HB SER 64 2HB SER 64 0.862 0.392 0.317 1222 2HB SER 64 1HB SER 64 0.766 0.927 1.994 1223 HG SER 64 HG SER 64 2.415 -0.533 1.897 1224 H TYR 65 H TYR 65 -2.265 0.019 -0.585 1225 HA TYR 65 HA TYR 65 -1.536 -2.453 -1.976 1226 1HB TYR 65 2HB TYR 65 -3.757 -2.646 -0.691 1227 2HB TYR 65 1HB TYR 65 -4.399 -1.516 -1.879 1228 HD1 TYR 65 1HD TYR 65 -5.154 -2.280 -3.961 1229 HD2 TYR 65 2HD TYR 65 -2.753 -4.833 -1.548 1230 HE1 TYR 65 1HE TYR 65 -5.594 -4.143 -5.504 1231 HE2 TYR 65 2HE TYR 65 -3.185 -6.702 -3.085 1232 HH TYR 65 HH TYR 65 -5.408 -6.364 -5.811 1233 H VAL 66 H VAL 66 -0.235 -0.644 -2.972 1234 HA VAL 66 HA VAL 66 -1.808 0.784 -5.010 1235 HB VAL 66 HB VAL 66 0.044 2.357 -5.191 1236 1HG1 VAL 66 1HG1 VAL 66 -0.563 2.075 -2.264 1237 2HG1 VAL 66 2HG1 VAL 66 -1.795 2.563 -3.429 1238 3HG1 VAL 66 3HG1 VAL 66 -0.349 3.548 -3.210 1239 1HG2 VAL 66 1HG2 VAL 66 1.902 0.895 -4.689 1240 2HG2 VAL 66 2HG2 VAL 66 1.332 0.689 -3.034 1241 3HG2 VAL 66 3HG2 VAL 66 1.915 2.262 -3.575 1242 H THR 67 H THR 67 -1.018 0.862 -7.155 1243 HA THR 67 HA THR 67 0.290 -1.570 -7.975 1244 HB THR 67 HB THR 67 -1.673 -0.414 -9.149 1245 HG1 THR 67 1HG THR 67 -1.109 -1.451 -10.922 1246 1HG2 THR 67 1HG2 THR 67 -1.165 1.762 -9.557 1247 2HG2 THR 67 2HG2 THR 67 -0.654 1.034 -11.079 1248 3HG2 THR 67 3HG2 THR 67 0.541 1.430 -9.845 1249 H HIS 68 H HIS 68 2.406 -1.802 -8.180 1250 HA HIS 68 HA HIS 68 4.267 0.256 -7.812 1251 1HB HIS 68 2HB HIS 68 5.954 -1.366 -8.447 1252 2HB HIS 68 1HB HIS 68 4.736 -2.155 -7.450 1253 HD1 HIS 68 1HD HIS 68 2.846 -2.168 -10.232 1254 HD2 HIS 68 2HD HIS 68 6.486 -4.011 -9.451 1255 HE1 HIS 68 1HE HIS 68 2.994 -4.078 -11.861 1256 HE2 HIS 68 2HE HIS 68 5.246 -5.122 -11.430 1257 H GLU 69 H GLU 69 5.849 1.096 -9.318 1258 HA GLU 69 HA GLU 69 5.191 0.966 -12.148 1259 1HB GLU 69 2HB GLU 69 5.440 3.686 -10.902 1260 2HB GLU 69 1HB GLU 69 4.763 3.245 -12.464 1261 1HG GLU 69 2HG GLU 69 3.145 1.911 -10.688 1262 2HG GLU 69 1HG GLU 69 3.490 3.429 -9.859 1263 H THR 70 H THR 70 6.873 1.715 -13.521 1264 HA THR 70 HA THR 70 9.051 1.907 -14.155 1265 HB THR 70 HB THR 70 9.139 3.486 -11.581 1266 HG1 THR 70 1HG THR 70 8.885 5.217 -12.903 1267 1HG2 THR 70 1HG2 THR 70 11.291 3.971 -11.816 1268 2HG2 THR 70 2HG2 THR 70 11.143 4.166 -13.563 1269 3HG2 THR 70 3HG2 THR 70 11.377 2.561 -12.870 1270 H LYS 71 H LYS 71 10.478 2.176 -11.086 1271 HA LYS 71 HA LYS 71 11.854 -0.309 -11.375 1272 1HB LYS 71 2HB LYS 71 11.811 1.857 -9.303 1273 2HB LYS 71 1HB LYS 71 12.599 0.327 -8.948 1274 1HG LYS 71 2HG LYS 71 14.160 0.625 -10.709 1275 2HG LYS 71 1HG LYS 71 13.265 2.001 -11.354 1276 1HD LYS 71 2HD LYS 71 13.788 3.308 -9.384 1277 2HD LYS 71 1HD LYS 71 14.588 1.921 -8.643 1278 1HE LYS 71 2HE LYS 71 16.437 2.910 -9.487 1279 2HE LYS 71 1HE LYS 71 15.955 2.042 -10.945 1280 1HZ LYS 71 1HZ LYS 71 14.769 4.063 -11.656 1281 2HZ LYS 71 2HZ LYS 71 16.433 4.311 -11.489 1282 3HZ LYS 71 3HZ LYS 71 15.371 4.881 -10.303 1283 H HIS 72 H HIS 72 8.790 0.102 -10.689 1284 HA HIS 72 HA HIS 72 7.234 -1.359 -9.851 1285 1HB HIS 72 2HB HIS 72 9.670 -2.811 -8.805 1286 2HB HIS 72 1HB HIS 72 8.020 -3.374 -8.561 1287 HD1 HIS 72 1HD HIS 72 7.343 -5.079 -10.206 1288 HD2 HIS 72 2HD HIS 72 10.130 -2.436 -11.793 1289 HE1 HIS 72 1HE HIS 72 7.771 -5.881 -12.551 1290 HE2 HIS 72 2HE HIS 72 9.392 -4.212 -13.520 1291 H PHE 73 H PHE 73 9.497 -1.827 -7.207 1292 HA PHE 73 HA PHE 73 9.121 0.241 -5.536 1293 1HB PHE 73 2HB PHE 73 7.126 0.053 -4.335 1294 2HB PHE 73 1HB PHE 73 6.619 -0.273 -5.988 1295 HD1 PHE 73 1HD PHE 73 7.614 -3.101 -6.208 1296 HD2 PHE 73 2HD PHE 73 5.480 -1.088 -3.125 1297 HE1 PHE 73 1HE PHE 73 6.647 -5.244 -5.483 1298 HE2 PHE 73 2HE PHE 73 4.510 -3.226 -2.394 1299 HZ PHE 73 HZ PHE 73 5.094 -5.309 -3.572 1300 H ILE 74 H ILE 74 8.776 -0.643 -3.057 1301 HA ILE 74 HA ILE 74 9.914 -3.256 -2.659 1302 HB ILE 74 HB ILE 74 11.928 -1.951 -3.179 1303 1HG1 ILE 74 2HG1 ILE 74 11.402 -3.451 -0.746 1304 2HG1 ILE 74 1HG1 ILE 74 12.785 -3.529 -1.824 1305 1HG2 ILE 74 1HG2 ILE 74 12.247 0.121 -2.448 1306 2HG2 ILE 74 2HG2 ILE 74 12.063 -0.384 -0.767 1307 3HG2 ILE 74 3HG2 ILE 74 10.642 0.052 -1.719 1308 1HD1 ILE 74 1HD1 ILE 74 12.574 -2.416 0.807 1309 2HD1 ILE 74 2HD1 ILE 74 13.127 -1.190 -0.333 1310 3HD1 ILE 74 3HD1 ILE 74 14.009 -2.709 -0.177 1311 H TYR 75 H TYR 75 8.834 -4.022 -0.986 1312 HA TYR 75 HA TYR 75 7.977 -2.160 1.127 1313 1HB TYR 75 2HB TYR 75 6.259 -3.530 -0.215 1314 2HB TYR 75 1HB TYR 75 6.857 -4.923 0.680 1315 HD1 TYR 75 1HD TYR 75 5.531 -5.542 2.453 1316 HD2 TYR 75 2HD TYR 75 5.851 -1.410 1.496 1317 HE1 TYR 75 1HE TYR 75 4.013 -5.002 4.309 1318 HE2 TYR 75 2HE TYR 75 4.333 -0.857 3.350 1319 HH TYR 75 HH TYR 75 2.327 -2.571 4.660 1320 H PHE 76 H PHE 76 8.496 -2.540 3.228 1321 HA PHE 76 HA PHE 76 9.612 -5.031 4.111 1322 1HB PHE 76 2HB PHE 76 11.772 -3.913 4.887 1323 2HB PHE 76 1HB PHE 76 11.642 -4.266 3.167 1324 HD1 PHE 76 1HD PHE 76 10.634 -2.290 1.728 1325 HD2 PHE 76 2HD PHE 76 12.515 -1.840 5.518 1326 HE1 PHE 76 1HE PHE 76 11.110 0.067 1.207 1327 HE2 PHE 76 2HE PHE 76 12.994 0.518 5.005 1328 HZ PHE 76 HZ PHE 76 12.291 1.474 2.847 1329 H TYR 77 H TYR 77 10.384 -4.809 6.454 1330 HA TYR 77 HA TYR 77 8.865 -2.714 7.851 1331 1HB TYR 77 2HB TYR 77 7.520 -4.753 7.885 1332 2HB TYR 77 1HB TYR 77 8.881 -5.663 8.531 1333 HD1 TYR 77 1HD TYR 77 9.748 -5.041 10.837 1334 HD2 TYR 77 2HD TYR 77 6.036 -3.629 9.315 1335 HE1 TYR 77 1HE TYR 77 9.014 -4.517 13.125 1336 HE2 TYR 77 2HE TYR 77 5.294 -3.099 11.598 1337 HH TYR 77 HH TYR 77 7.281 -3.912 14.410 1338 H LEU 78 H LEU 78 10.269 -1.549 8.979 1339 HA LEU 78 HA LEU 78 12.859 -2.487 9.698 1340 1HB LEU 78 2HB LEU 78 11.302 -0.006 10.379 1341 2HB LEU 78 1HB LEU 78 12.900 -0.305 11.028 1342 HG LEU 78 HG LEU 78 12.736 1.201 8.980 1343 1HD1 LEU 78 1HD1 LEU 78 14.902 0.787 8.804 1344 2HD1 LEU 78 2HD1 LEU 78 14.593 -0.778 8.054 1345 3HD1 LEU 78 3HD1 LEU 78 14.668 -0.642 9.811 1346 1HD2 LEU 78 1HD2 LEU 78 12.951 -0.751 6.991 1347 2HD2 LEU 78 2HD2 LEU 78 11.647 0.417 7.209 1348 3HD2 LEU 78 3HD2 LEU 78 11.523 -1.188 7.929 1349 H GLY 79 H GLY 79 13.662 -2.215 12.025 1350 1HA GLY 79 2HA GLY 79 13.013 -4.104 13.714 1351 2HA GLY 79 1HA GLY 79 13.345 -2.499 14.345 1352 H GLN 80 H GLN 80 11.164 -1.063 13.757 1353 HA GLN 80 HA GLN 80 8.814 -2.560 14.632 1354 1HB GLN 80 2HB GLN 80 10.168 -1.498 16.601 1355 2HB GLN 80 1HB GLN 80 9.470 0.013 16.031 1356 1HG GLN 80 2HG GLN 80 7.324 -0.607 16.596 1357 2HG GLN 80 1HG GLN 80 7.702 -2.328 16.570 1358 1HE2 GLN 80 1HE2 GLN 80 10.213 -0.925 18.091 1359 2HE2 GLN 80 2HE2 GLN 80 9.688 -1.052 19.732 1360 H VAL 81 H VAL 81 9.359 -1.527 12.110 1361 HA VAL 81 HA VAL 81 7.114 0.254 11.776 1362 HB VAL 81 HB VAL 81 9.914 1.155 11.103 1363 1HG1 VAL 81 1HG1 VAL 81 8.943 1.983 9.238 1364 2HG1 VAL 81 2HG1 VAL 81 8.394 3.238 10.349 1365 3HG1 VAL 81 3HG1 VAL 81 7.317 1.908 9.918 1366 1HG2 VAL 81 1HG2 VAL 81 9.518 2.968 12.563 1367 2HG2 VAL 81 2HG2 VAL 81 8.966 1.527 13.418 1368 3HG2 VAL 81 3HG2 VAL 81 7.794 2.608 12.664 1369 H ALA 82 H ALA 82 6.830 0.792 9.381 1370 HA ALA 82 HA ALA 82 7.904 -1.322 7.649 1371 1HB ALA 82 1HB ALA 82 5.602 -1.529 6.641 1372 2HB ALA 82 2HB ALA 82 5.000 -0.617 8.026 1373 3HB ALA 82 3HB ALA 82 5.777 -2.181 8.272 1374 H ILE 83 H ILE 83 8.253 -0.703 5.531 1375 HA ILE 83 HA ILE 83 7.514 2.062 4.844 1376 HB ILE 83 HB ILE 83 10.032 1.088 3.676 1377 1HG1 ILE 83 2HG1 ILE 83 10.079 0.280 6.088 1378 2HG1 ILE 83 1HG1 ILE 83 11.391 1.349 5.608 1379 1HG2 ILE 83 1HG2 ILE 83 8.684 3.551 4.240 1380 2HG2 ILE 83 2HG2 ILE 83 10.079 3.254 3.202 1381 3HG2 ILE 83 3HG2 ILE 83 10.311 3.588 4.918 1382 1HD1 ILE 83 1HD1 ILE 83 9.198 1.778 7.534 1383 2HD1 ILE 83 2HD1 ILE 83 9.692 3.169 6.569 1384 3HD1 ILE 83 3HD1 ILE 83 10.874 2.327 7.572 1385 H LEU 84 H LEU 84 6.601 2.344 2.936 1386 HA LEU 84 HA LEU 84 6.693 0.147 0.975 1387 1HB LEU 84 2HB LEU 84 4.473 0.167 1.609 1388 2HB LEU 84 1HB LEU 84 4.465 1.891 1.920 1389 HG LEU 84 HG LEU 84 4.833 1.878 -0.768 1390 1HD1 LEU 84 1HD1 LEU 84 3.080 -0.490 -0.133 1391 2HD1 LEU 84 2HD1 LEU 84 4.651 -0.541 -0.929 1392 3HD1 LEU 84 3HD1 LEU 84 3.285 0.241 -1.725 1393 1HD2 LEU 84 1HD2 LEU 84 3.064 3.186 -0.483 1394 2HD2 LEU 84 2HD2 LEU 84 2.749 2.460 1.093 1395 3HD2 LEU 84 3HD2 LEU 84 2.044 1.752 -0.361 1396 H LEU 85 H LEU 85 8.302 0.869 -0.350 1397 HA LEU 85 HA LEU 85 8.147 3.619 -1.359 1398 1HB LEU 85 2HB LEU 85 10.293 1.848 -0.693 1399 2HB LEU 85 1HB LEU 85 10.421 2.283 -2.387 1400 HG LEU 85 HG LEU 85 10.331 4.685 -1.730 1401 1HD1 LEU 85 1HD1 LEU 85 10.733 3.695 1.080 1402 2HD1 LEU 85 2HD1 LEU 85 9.169 4.217 0.456 1403 3HD1 LEU 85 3HD1 LEU 85 10.513 5.356 0.530 1404 1HD2 LEU 85 1HD2 LEU 85 12.617 4.115 -0.198 1405 2HD2 LEU 85 2HD2 LEU 85 12.531 4.479 -1.921 1406 3HD2 LEU 85 3HD2 LEU 85 12.461 2.807 -1.369 1407 H PHE 86 H PHE 86 7.013 3.879 -3.150 1408 HA PHE 86 HA PHE 86 7.563 2.182 -5.443 1409 1HB PHE 86 2HB PHE 86 5.384 1.438 -5.836 1410 2HB PHE 86 1HB PHE 86 5.567 1.237 -4.098 1411 HD1 PHE 86 1HD PHE 86 3.552 2.552 -6.665 1412 HD2 PHE 86 2HD PHE 86 4.740 3.222 -2.635 1413 HE1 PHE 86 1HE PHE 86 1.537 3.918 -6.303 1414 HE2 PHE 86 2HE PHE 86 2.729 4.590 -2.265 1415 HZ PHE 86 HZ PHE 86 1.123 4.939 -4.100 1416 H LYS 87 H LYS 87 7.697 3.366 -7.235 1417 HA LYS 87 HA LYS 87 6.894 6.169 -7.114 1418 1HB LYS 87 2HB LYS 87 8.426 4.806 -9.321 1419 2HB LYS 87 1HB LYS 87 8.346 6.527 -8.967 1420 1HG LYS 87 2HG LYS 87 9.678 6.286 -7.029 1421 2HG LYS 87 1HG LYS 87 9.534 4.528 -7.067 1422 1HD LYS 87 2HD LYS 87 11.703 5.105 -7.887 1423 2HD LYS 87 1HD LYS 87 10.736 4.553 -9.255 1424 1HE LYS 87 2HE LYS 87 10.354 6.817 -9.965 1425 2HE LYS 87 1HE LYS 87 11.135 7.449 -8.517 1426 1HZ LYS 87 1HZ LYS 87 12.812 7.603 -10.047 1427 2HZ LYS 87 2HZ LYS 87 12.346 6.212 -10.890 1428 3HZ LYS 87 3HZ LYS 87 13.138 6.072 -9.404 1429 H SER 88 H SER 88 6.100 7.120 -9.243 1430 HA SER 88 HA SER 88 4.063 5.344 -10.410 1431 1HB SER 88 2HB SER 88 3.727 7.793 -9.014 1432 2HB SER 88 1HB SER 88 3.325 8.088 -10.706 1433 HG SER 88 HG SER 88 1.618 7.246 -9.194 1434 H GLY 89 H GLY 89 6.848 6.185 -11.185 1435 1HA GLY 89 2HA GLY 89 7.977 6.534 -13.160 1436 2HA GLY 89 1HA GLY 89 6.447 6.261 -13.979 Start of MODEL 17 1 1H MET 1 1HT MET 1 -26.233 7.873 8.749 2 2H MET 1 2HT MET 1 -26.498 9.453 8.133 3 3H MET 1 3HT MET 1 -27.419 8.881 9.465 4 HA MET 1 HA MET 1 -25.981 9.780 10.787 5 1HB MET 1 2HB MET 1 -23.914 7.984 9.514 6 2HB MET 1 1HB MET 1 -23.943 8.578 11.168 7 1HG MET 1 2HG MET 1 -25.037 6.771 11.803 8 2HG MET 1 1HG MET 1 -26.362 7.180 10.715 9 1HE MET 1 1HE MET 1 -24.019 4.434 11.663 10 2HE MET 1 2HE MET 1 -24.741 3.307 10.515 11 3HE MET 1 3HE MET 1 -25.772 4.275 11.568 12 H CYS 2 H CYS 2 -23.020 9.916 10.240 13 HA CYS 2 HA CYS 2 -22.933 12.555 9.272 14 1HB CYS 2 2HB CYS 2 -20.630 10.600 9.398 15 2HB CYS 2 1HB CYS 2 -20.527 12.357 9.395 16 HG CYS 2 HG CYS 2 -21.814 10.870 11.802 17 H ASP 3 H ASP 3 -23.154 9.606 7.620 18 HA ASP 3 HA ASP 3 -23.273 9.127 5.393 19 1HB ASP 3 2HB ASP 3 -22.819 12.100 5.062 20 2HB ASP 3 1HB ASP 3 -23.222 10.995 3.751 21 H ARG 4 H ARG 4 -21.512 7.832 5.207 22 HA ARG 4 HA ARG 4 -19.528 7.196 4.238 23 1HB ARG 4 2HB ARG 4 -19.633 10.053 3.522 24 2HB ARG 4 1HB ARG 4 -18.011 9.381 3.637 25 1HG ARG 4 2HG ARG 4 -18.468 8.988 1.438 26 2HG ARG 4 1HG ARG 4 -19.036 7.477 2.153 27 1HD ARG 4 2HD ARG 4 -20.569 8.602 0.461 28 2HD ARG 4 1HD ARG 4 -21.287 8.121 1.998 29 HE ARG 4 HE ARG 4 -20.343 10.867 1.780 30 1HH1 ARG 4 1HH1 ARG 4 -23.018 8.636 1.716 31 2HH1 ARG 4 2HH1 ARG 4 -24.214 9.861 1.980 32 1HH2 ARG 4 1HH2 ARG 4 -21.909 12.487 2.128 33 2HH2 ARG 4 2HH2 ARG 4 -23.583 12.050 2.214 34 H LYS 5 H LYS 5 -18.911 6.388 6.257 35 HA LYS 5 HA LYS 5 -17.889 7.820 8.402 36 1HB LYS 5 2HB LYS 5 -17.673 5.017 7.450 37 2HB LYS 5 1HB LYS 5 -16.491 5.539 8.642 38 1HG LYS 5 2HG LYS 5 -19.078 6.402 9.472 39 2HG LYS 5 1HG LYS 5 -19.143 4.686 9.064 40 1HD LYS 5 2HD LYS 5 -17.275 4.239 10.557 41 2HD LYS 5 1HD LYS 5 -17.134 5.960 10.924 42 1HE LYS 5 2HE LYS 5 -18.449 5.479 12.677 43 2HE LYS 5 1HE LYS 5 -19.755 5.496 11.493 44 1HZ LYS 5 1HZ LYS 5 -20.142 3.393 12.007 45 2HZ LYS 5 2HZ LYS 5 -18.808 3.341 13.045 46 3HZ LYS 5 3HZ LYS 5 -18.618 2.966 11.407 47 H ALA 6 H ALA 6 -15.404 6.983 9.041 48 HA ALA 6 HA ALA 6 -13.155 7.188 8.631 49 1HB ALA 6 1HB ALA 6 -13.547 6.315 6.370 50 2HB ALA 6 2HB ALA 6 -12.304 7.567 6.393 51 3HB ALA 6 3HB ALA 6 -13.928 7.946 5.818 52 H VAL 7 H VAL 7 -11.624 8.878 8.651 53 HA VAL 7 HA VAL 7 -12.834 11.563 8.729 54 HB VAL 7 HB VAL 7 -10.569 10.406 10.356 55 1HG1 VAL 7 1HG1 VAL 7 -9.899 12.466 11.056 56 2HG1 VAL 7 2HG1 VAL 7 -11.483 13.194 10.793 57 3HG1 VAL 7 3HG1 VAL 7 -10.416 12.888 9.423 58 1HG2 VAL 7 1HG2 VAL 7 -12.915 11.823 11.511 59 2HG2 VAL 7 2HG2 VAL 7 -11.960 10.492 12.166 60 3HG2 VAL 7 3HG2 VAL 7 -13.145 10.186 10.896 61 H ILE 8 H ILE 8 -12.358 11.579 6.386 62 HA ILE 8 HA ILE 8 -10.018 11.326 5.088 63 HB ILE 8 HB ILE 8 -12.349 13.077 4.739 64 1HG1 ILE 8 2HG1 ILE 8 -11.512 12.286 2.265 65 2HG1 ILE 8 1HG1 ILE 8 -10.805 11.037 3.285 66 1HG2 ILE 8 1HG2 ILE 8 -10.452 14.726 4.590 67 2HG2 ILE 8 2HG2 ILE 8 -11.455 14.593 3.146 68 3HG2 ILE 8 3HG2 ILE 8 -9.873 13.816 3.194 69 1HD1 ILE 8 1HD1 ILE 8 -13.617 11.575 2.620 70 2HD1 ILE 8 2HD1 ILE 8 -13.294 11.092 4.285 71 3HD1 ILE 8 3HD1 ILE 8 -12.793 10.052 2.952 72 H LYS 9 H LYS 9 -8.330 12.829 4.444 73 HA LYS 9 HA LYS 9 -7.799 15.090 6.183 74 1HB LYS 9 2HB LYS 9 -5.487 13.276 6.029 75 2HB LYS 9 1HB LYS 9 -6.072 14.244 7.376 76 1HG LYS 9 2HG LYS 9 -7.917 12.121 6.864 77 2HG LYS 9 1HG LYS 9 -6.285 11.467 7.013 78 1HD LYS 9 2HD LYS 9 -6.119 12.957 9.112 79 2HD LYS 9 1HD LYS 9 -7.879 13.042 9.008 80 1HE LYS 9 2HE LYS 9 -8.155 10.838 9.538 81 2HE LYS 9 1HE LYS 9 -6.603 10.364 8.848 82 1HZ LYS 9 1HZ LYS 9 -7.244 11.220 11.533 83 2HZ LYS 9 2HZ LYS 9 -5.844 11.923 10.895 84 3HZ LYS 9 3HZ LYS 9 -5.979 10.240 10.980 85 H ASN 10 H ASN 10 -7.595 13.482 3.270 86 HA ASN 10 HA ASN 10 -6.437 15.667 1.908 87 1HB ASN 10 2HB ASN 10 -4.566 13.790 2.972 88 2HB ASN 10 1HB ASN 10 -4.580 13.618 1.221 89 1HD2 ASN 10 1HD2 ASN 10 -5.469 16.528 1.123 90 2HD2 ASN 10 2HD2 ASN 10 -3.995 17.410 1.297 91 H ALA 11 H ALA 11 -8.246 15.417 0.606 92 HA ALA 11 HA ALA 11 -8.172 13.074 -1.176 93 1HB ALA 11 1HB ALA 11 -10.673 14.409 -0.152 94 2HB ALA 11 2HB ALA 11 -10.023 12.877 0.434 95 3HB ALA 11 3HB ALA 11 -10.588 13.017 -1.231 96 H ASP 12 H ASP 12 -6.899 14.549 -2.538 97 HA ASP 12 HA ASP 12 -8.146 16.875 -3.646 98 1HB ASP 12 2HB ASP 12 -5.561 15.687 -3.705 99 2HB ASP 12 1HB ASP 12 -6.096 15.873 -5.372 100 H MET 13 H MET 13 -9.576 14.318 -3.764 101 HA MET 13 HA MET 13 -9.857 14.008 -6.676 102 1HB MET 13 2HB MET 13 -9.442 11.857 -6.069 103 2HB MET 13 1HB MET 13 -9.946 12.121 -4.408 104 1HG MET 13 2HG MET 13 -12.311 12.271 -5.796 105 2HG MET 13 1HG MET 13 -11.417 11.020 -6.659 106 1HE MET 13 1HE MET 13 -10.823 8.294 -4.021 107 2HE MET 13 2HE MET 13 -9.696 9.533 -4.575 108 3HE MET 13 3HE MET 13 -10.770 8.740 -5.728 109 H SER 14 H SER 14 -12.169 13.305 -7.287 110 HA SER 14 HA SER 14 -13.925 15.401 -6.776 111 1HB SER 14 2HB SER 14 -14.344 12.627 -7.876 112 2HB SER 14 1HB SER 14 -15.685 13.759 -7.701 113 HG SER 14 HG SER 14 -13.304 14.216 -9.181 114 H GLU 15 H GLU 15 -15.885 15.512 -5.590 115 HA GLU 15 HA GLU 15 -15.744 14.642 -2.952 116 1HB GLU 15 2HB GLU 15 -17.445 16.275 -4.463 117 2HB GLU 15 1HB GLU 15 -18.489 15.035 -3.779 118 1HG GLU 15 2HG GLU 15 -17.558 15.563 -1.541 119 2HG GLU 15 1HG GLU 15 -16.662 16.893 -2.276 120 H GLU 16 H GLU 16 -18.147 13.524 -5.345 121 HA GLU 16 HA GLU 16 -19.137 11.386 -3.913 122 1HB GLU 16 2HB GLU 16 -19.145 12.240 -6.696 123 2HB GLU 16 1HB GLU 16 -19.178 10.489 -6.541 124 1HG GLU 16 2HG GLU 16 -21.025 11.933 -4.775 125 2HG GLU 16 1HG GLU 16 -21.362 12.074 -6.499 126 H MET 17 H MET 17 -16.099 11.666 -5.552 127 HA MET 17 HA MET 17 -15.591 8.836 -5.659 128 1HB MET 17 2HB MET 17 -13.942 11.289 -6.195 129 2HB MET 17 1HB MET 17 -13.192 9.700 -6.121 130 1HG MET 17 2HG MET 17 -15.251 10.695 -8.058 131 2HG MET 17 1HG MET 17 -13.620 10.115 -8.391 132 1HE MET 17 1HE MET 17 -13.940 6.281 -7.784 133 2HE MET 17 2HE MET 17 -13.500 7.459 -6.547 134 3HE MET 17 3HE MET 17 -12.870 7.625 -8.186 135 H GLN 18 H GLN 18 -14.793 11.496 -3.488 136 HA GLN 18 HA GLN 18 -12.967 9.975 -1.901 137 1HB GLN 18 2HB GLN 18 -13.812 11.994 -0.251 138 2HB GLN 18 1HB GLN 18 -12.476 12.107 -1.389 139 1HG GLN 18 2HG GLN 18 -14.752 12.652 -2.894 140 2HG GLN 18 1HG GLN 18 -14.995 13.495 -1.364 141 1HE2 GLN 18 1HE2 GLN 18 -11.747 12.998 -2.125 142 2HE2 GLN 18 2HE2 GLN 18 -11.388 14.574 -2.735 143 H GLN 19 H GLN 19 -16.406 10.689 -1.754 144 HA GLN 19 HA GLN 19 -16.783 9.499 0.825 145 1HB GLN 19 2HB GLN 19 -18.581 10.544 -1.327 146 2HB GLN 19 1HB GLN 19 -19.262 9.498 -0.088 147 1HG GLN 19 2HG GLN 19 -18.895 11.027 1.598 148 2HG GLN 19 1HG GLN 19 -17.623 11.860 0.706 149 1HE2 GLN 19 1HE2 GLN 19 -19.767 13.147 1.974 150 2HE2 GLN 19 2HE2 GLN 19 -20.739 13.905 0.764 151 H ASP 20 H ASP 20 -17.012 8.495 -2.522 152 HA ASP 20 HA ASP 20 -18.144 5.935 -1.969 153 1HB ASP 20 2HB ASP 20 -17.675 7.452 -4.264 154 2HB ASP 20 1HB ASP 20 -16.611 6.060 -4.436 155 H SER 21 H SER 21 -14.944 7.287 -2.195 156 HA SER 21 HA SER 21 -13.481 4.876 -2.368 157 1HB SER 21 2HB SER 21 -11.868 6.413 -2.666 158 2HB SER 21 1HB SER 21 -12.909 7.688 -2.030 159 HG SER 21 HG SER 21 -11.205 5.950 -0.579 160 H VAL 22 H VAL 22 -14.501 6.885 0.373 161 HA VAL 22 HA VAL 22 -13.316 5.367 2.412 162 HB VAL 22 HB VAL 22 -15.853 7.007 2.512 163 1HG1 VAL 22 1HG1 VAL 22 -14.803 7.054 5.024 164 2HG1 VAL 22 2HG1 VAL 22 -14.458 5.398 4.523 165 3HG1 VAL 22 3HG1 VAL 22 -16.115 6.001 4.498 166 1HG2 VAL 22 1HG2 VAL 22 -14.088 8.516 3.789 167 2HG2 VAL 22 2HG2 VAL 22 -14.285 8.595 2.039 168 3HG2 VAL 22 3HG2 VAL 22 -12.963 7.658 2.736 169 H GLU 23 H GLU 23 -16.620 5.258 1.084 170 HA GLU 23 HA GLU 23 -17.644 3.216 2.648 171 1HB GLU 23 2HB GLU 23 -18.249 3.531 -0.291 172 2HB GLU 23 1HB GLU 23 -19.307 2.900 0.963 173 1HG GLU 23 2HG GLU 23 -18.851 5.360 1.939 174 2HG GLU 23 1HG GLU 23 -18.703 5.679 0.211 175 H CYS 24 H CYS 24 -15.622 3.044 -0.230 176 HA CYS 24 HA CYS 24 -15.787 0.245 -0.602 177 1HB CYS 24 2HB CYS 24 -13.766 2.321 -1.435 178 2HB CYS 24 1HB CYS 24 -13.550 0.616 -1.817 179 HG CYS 24 HG CYS 24 -14.757 1.417 -3.852 180 H ALA 25 H ALA 25 -13.636 2.318 1.270 181 HA ALA 25 HA ALA 25 -11.882 0.246 2.129 182 1HB ALA 25 1HB ALA 25 -10.944 2.362 2.361 183 2HB ALA 25 2HB ALA 25 -11.439 1.999 4.015 184 3HB ALA 25 3HB ALA 25 -12.427 3.060 3.010 185 H THR 26 H THR 26 -14.875 1.630 3.166 186 HA THR 26 HA THR 26 -15.020 0.364 5.708 187 HB THR 26 HB THR 26 -17.506 1.091 4.270 188 HG1 THR 26 1HG THR 26 -16.372 3.335 5.195 189 1HG2 THR 26 1HG2 THR 26 -16.439 1.976 6.935 190 2HG2 THR 26 2HG2 THR 26 -17.486 0.578 6.680 191 3HG2 THR 26 3HG2 THR 26 -18.075 2.201 6.315 192 H GLN 27 H GLN 27 -16.039 -0.406 2.442 193 HA GLN 27 HA GLN 27 -17.713 -2.582 2.956 194 1HB GLN 27 2HB GLN 27 -16.178 -1.561 0.659 195 2HB GLN 27 1HB GLN 27 -16.459 -3.296 0.625 196 1HG GLN 27 2HG GLN 27 -18.923 -2.619 1.140 197 2HG GLN 27 1HG GLN 27 -18.417 -1.056 0.502 198 1HE2 GLN 27 1HE2 GLN 27 -16.510 -2.216 -1.351 199 2HE2 GLN 27 2HE2 GLN 27 -17.436 -2.910 -2.633 200 H ALA 28 H ALA 28 -14.225 -2.345 2.554 201 HA ALA 28 HA ALA 28 -13.855 -5.179 3.087 202 1HB ALA 28 1HB ALA 28 -11.377 -4.439 3.015 203 2HB ALA 28 2HB ALA 28 -12.017 -2.922 2.387 204 3HB ALA 28 3HB ALA 28 -12.314 -4.429 1.521 205 H LEU 29 H LEU 29 -13.853 -2.180 4.788 206 HA LEU 29 HA LEU 29 -12.324 -3.060 7.038 207 1HB LEU 29 2HB LEU 29 -14.019 -0.680 6.430 208 2HB LEU 29 1HB LEU 29 -13.526 -0.995 8.085 209 HG LEU 29 HG LEU 29 -11.416 -1.023 5.999 210 1HD1 LEU 29 1HD1 LEU 29 -11.910 1.003 5.251 211 2HD1 LEU 29 2HD1 LEU 29 -11.470 1.600 6.852 212 3HD1 LEU 29 3HD1 LEU 29 -13.154 1.235 6.479 213 1HD2 LEU 29 1HD2 LEU 29 -10.575 -1.477 8.104 214 2HD2 LEU 29 2HD2 LEU 29 -11.672 -0.349 8.900 215 3HD2 LEU 29 3HD2 LEU 29 -10.306 0.260 7.964 216 H GLU 30 H GLU 30 -15.634 -3.234 6.056 217 HA GLU 30 HA GLU 30 -16.517 -4.037 8.720 218 1HB GLU 30 2HB GLU 30 -17.778 -2.843 6.410 219 2HB GLU 30 1HB GLU 30 -18.657 -4.277 6.924 220 1HG GLU 30 2HG GLU 30 -18.140 -2.946 9.286 221 2HG GLU 30 1HG GLU 30 -18.501 -1.654 8.141 222 H LYS 31 H LYS 31 -16.028 -5.304 5.486 223 HA LYS 31 HA LYS 31 -17.115 -7.899 6.161 224 1HB LYS 31 2HB LYS 31 -16.157 -6.545 3.728 225 2HB LYS 31 1HB LYS 31 -15.808 -8.267 3.796 226 1HG LYS 31 2HG LYS 31 -17.932 -8.826 3.424 227 2HG LYS 31 1HG LYS 31 -18.540 -7.628 4.570 228 1HD LYS 31 2HD LYS 31 -17.580 -6.120 2.450 229 2HD LYS 31 1HD LYS 31 -18.357 -7.505 1.680 230 1HE LYS 31 2HE LYS 31 -20.408 -6.804 2.242 231 2HE LYS 31 1HE LYS 31 -19.910 -6.388 3.881 232 1HZ LYS 31 1HZ LYS 31 -20.467 -4.650 1.802 233 2HZ LYS 31 2HZ LYS 31 -18.793 -4.565 2.031 234 3HZ LYS 31 3HZ LYS 31 -19.838 -4.260 3.325 235 H TYR 32 H TYR 32 -14.257 -6.288 6.685 236 HA TYR 32 HA TYR 32 -12.930 -8.717 7.507 237 1HB TYR 32 2HB TYR 32 -11.263 -6.939 5.785 238 2HB TYR 32 1HB TYR 32 -11.092 -8.658 6.115 239 HD1 TYR 32 1HD TYR 32 -13.369 -6.267 4.367 240 HD2 TYR 32 2HD TYR 32 -11.707 -10.178 4.489 241 HE1 TYR 32 1HE TYR 32 -14.431 -6.773 2.215 242 HE2 TYR 32 2HE TYR 32 -12.767 -10.699 2.335 243 HH TYR 32 HH TYR 32 -14.401 -10.009 0.869 244 H ASN 33 H ASN 33 -10.496 -7.890 8.153 245 HA ASN 33 HA ASN 33 -10.544 -5.281 9.386 246 1HB ASN 33 2HB ASN 33 -11.466 -7.478 10.877 247 2HB ASN 33 1HB ASN 33 -9.831 -7.171 11.455 248 1HD2 ASN 33 1HD2 ASN 33 -9.521 -4.561 11.443 249 2HD2 ASN 33 2HD2 ASN 33 -10.696 -3.766 12.429 250 H ILE 34 H ILE 34 -8.983 -6.857 7.448 251 HA ILE 34 HA ILE 34 -6.358 -6.778 8.788 252 HB ILE 34 HB ILE 34 -6.908 -8.287 6.249 253 1HG1 ILE 34 2HG1 ILE 34 -8.442 -9.161 7.932 254 2HG1 ILE 34 1HG1 ILE 34 -7.156 -10.322 7.611 255 1HG2 ILE 34 1HG2 ILE 34 -4.716 -8.608 6.331 256 2HG2 ILE 34 2HG2 ILE 34 -4.943 -9.510 7.830 257 3HG2 ILE 34 3HG2 ILE 34 -4.615 -7.779 7.885 258 1HD1 ILE 34 1HD1 ILE 34 -7.685 -10.136 9.989 259 2HD1 ILE 34 2HD1 ILE 34 -7.242 -8.429 9.943 260 3HD1 ILE 34 3HD1 ILE 34 -6.023 -9.665 9.636 261 H GLU 35 H GLU 35 -5.603 -4.778 8.358 262 HA GLU 35 HA GLU 35 -6.011 -2.923 6.568 263 1HB GLU 35 2HB GLU 35 -3.265 -3.981 7.248 264 2HB GLU 35 1HB GLU 35 -3.551 -2.444 6.442 265 1HG GLU 35 2HG GLU 35 -3.272 -1.852 8.661 266 2HG GLU 35 1HG GLU 35 -5.023 -1.884 8.464 267 H LYS 36 H LYS 36 -3.339 -5.053 5.620 268 HA LYS 36 HA LYS 36 -3.267 -4.543 2.963 269 1HB LYS 36 2HB LYS 36 -3.049 -7.420 3.606 270 2HB LYS 36 1HB LYS 36 -1.912 -6.359 2.782 271 1HG LYS 36 2HG LYS 36 -1.061 -5.529 4.821 272 2HG LYS 36 1HG LYS 36 -2.385 -6.239 5.746 273 1HD LYS 36 2HD LYS 36 -0.875 -8.186 4.175 274 2HD LYS 36 1HD LYS 36 0.096 -7.355 5.393 275 1HE LYS 36 2HE LYS 36 -1.284 -8.089 7.147 276 2HE LYS 36 1HE LYS 36 -2.579 -8.555 6.045 277 1HZ LYS 36 1HZ LYS 36 -0.299 -10.056 6.916 278 2HZ LYS 36 2HZ LYS 36 -0.466 -10.061 5.233 279 3HZ LYS 36 3HZ LYS 36 -1.740 -10.594 6.210 280 H ASP 37 H ASP 37 -5.385 -6.916 4.538 281 HA ASP 37 HA ASP 37 -6.622 -7.941 2.256 282 1HB ASP 37 2HB ASP 37 -7.167 -9.195 4.092 283 2HB ASP 37 1HB ASP 37 -7.273 -7.792 5.150 284 H ILE 38 H ILE 38 -7.904 -5.462 4.473 285 HA ILE 38 HA ILE 38 -10.145 -4.714 3.084 286 HB ILE 38 HB ILE 38 -8.379 -2.674 4.426 287 1HG1 ILE 38 2HG1 ILE 38 -10.356 -4.039 6.117 288 2HG1 ILE 38 1HG1 ILE 38 -9.018 -5.065 5.610 289 1HG2 ILE 38 1HG2 ILE 38 -10.521 -2.030 3.249 290 2HG2 ILE 38 2HG2 ILE 38 -10.382 -1.541 4.938 291 3HG2 ILE 38 3HG2 ILE 38 -11.371 -2.936 4.502 292 1HD1 ILE 38 1HD1 ILE 38 -9.078 -2.857 7.514 293 2HD1 ILE 38 2HD1 ILE 38 -7.718 -2.806 6.391 294 3HD1 ILE 38 3HD1 ILE 38 -7.980 -4.231 7.397 295 H ALA 39 H ALA 39 -6.845 -3.449 2.688 296 HA ALA 39 HA ALA 39 -7.406 -1.541 0.719 297 1HB ALA 39 1HB ALA 39 -5.311 -1.364 1.735 298 2HB ALA 39 2HB ALA 39 -4.945 -1.911 0.099 299 3HB ALA 39 3HB ALA 39 -4.920 -3.058 1.438 300 H ALA 40 H ALA 40 -6.203 -4.877 0.339 301 HA ALA 40 HA ALA 40 -5.970 -5.094 -2.349 302 1HB ALA 40 1HB ALA 40 -5.747 -6.889 -0.492 303 2HB ALA 40 2HB ALA 40 -6.177 -7.391 -2.128 304 3HB ALA 40 3HB ALA 40 -7.425 -7.261 -0.888 305 H HIS 41 H HIS 41 -9.019 -5.708 -0.599 306 HA HIS 41 HA HIS 41 -10.620 -6.025 -2.875 307 1HB HIS 41 2HB HIS 41 -11.831 -4.786 -0.455 308 2HB HIS 41 1HB HIS 41 -12.401 -6.133 -1.435 309 HD1 HIS 41 1HD HIS 41 -12.314 -6.274 1.659 310 HD2 HIS 41 2HD HIS 41 -9.327 -7.692 -0.857 311 HE1 HIS 41 1HE HIS 41 -11.088 -8.021 2.988 312 HE2 HIS 41 2HE HIS 41 -9.240 -8.814 1.471 313 H ILE 42 H ILE 42 -10.311 -3.151 -0.782 314 HA ILE 42 HA ILE 42 -11.887 -1.369 -2.081 315 HB ILE 42 HB ILE 42 -9.123 -0.708 -1.056 316 1HG1 ILE 42 2HG1 ILE 42 -11.731 -0.583 0.463 317 2HG1 ILE 42 1HG1 ILE 42 -10.645 -1.967 0.541 318 1HG2 ILE 42 1HG2 ILE 42 -10.511 0.965 -2.475 319 2HG2 ILE 42 2HG2 ILE 42 -9.756 1.512 -0.978 320 3HG2 ILE 42 3HG2 ILE 42 -11.478 1.131 -1.009 321 1HD1 ILE 42 1HD1 ILE 42 -9.761 0.819 1.219 322 2HD1 ILE 42 2HD1 ILE 42 -8.956 -0.707 1.586 323 3HD1 ILE 42 3HD1 ILE 42 -10.461 -0.283 2.405 324 H LYS 43 H LYS 43 -8.385 -1.472 -2.736 325 HA LYS 43 HA LYS 43 -8.385 0.056 -5.025 326 1HB LYS 43 2HB LYS 43 -6.350 -0.665 -3.841 327 2HB LYS 43 1HB LYS 43 -6.593 -2.304 -4.427 328 1HG LYS 43 2HG LYS 43 -6.270 0.026 -6.288 329 2HG LYS 43 1HG LYS 43 -4.895 -0.876 -5.652 330 1HD LYS 43 2HD LYS 43 -6.480 -2.898 -6.526 331 2HD LYS 43 1HD LYS 43 -6.879 -1.632 -7.689 332 1HE LYS 43 2HE LYS 43 -4.292 -1.335 -7.829 333 2HE LYS 43 1HE LYS 43 -4.258 -2.967 -7.161 334 1HZ LYS 43 1HZ LYS 43 -5.947 -2.400 -9.500 335 2HZ LYS 43 2HZ LYS 43 -5.215 -3.851 -9.033 336 3HZ LYS 43 3HZ LYS 43 -4.281 -2.616 -9.713 337 H LYS 44 H LYS 44 -9.134 -3.354 -4.662 338 HA LYS 44 HA LYS 44 -9.073 -4.098 -7.364 339 1HB LYS 44 2HB LYS 44 -9.880 -5.265 -4.884 340 2HB LYS 44 1HB LYS 44 -11.149 -5.540 -6.070 341 1HG LYS 44 2HG LYS 44 -9.636 -6.645 -7.543 342 2HG LYS 44 1HG LYS 44 -8.251 -6.187 -6.550 343 1HD LYS 44 2HD LYS 44 -9.858 -7.490 -4.753 344 2HD LYS 44 1HD LYS 44 -10.141 -8.397 -6.240 345 1HE LYS 44 2HE LYS 44 -8.295 -9.520 -5.604 346 2HE LYS 44 1HE LYS 44 -7.456 -8.148 -6.327 347 1HZ LYS 44 1HZ LYS 44 -7.085 -7.192 -4.240 348 2HZ LYS 44 2HZ LYS 44 -6.757 -8.835 -4.007 349 3HZ LYS 44 3HZ LYS 44 -8.221 -8.182 -3.470 350 H GLU 45 H GLU 45 -12.020 -3.600 -5.441 351 HA GLU 45 HA GLU 45 -13.828 -3.457 -7.497 352 1HB GLU 45 2HB GLU 45 -13.752 -2.208 -4.778 353 2HB GLU 45 1HB GLU 45 -15.053 -1.786 -5.882 354 1HG GLU 45 2HG GLU 45 -15.953 -3.904 -5.849 355 2HG GLU 45 1HG GLU 45 -14.432 -4.657 -5.373 356 H PHE 46 H PHE 46 -12.170 -0.680 -5.992 357 HA PHE 46 HA PHE 46 -13.152 1.379 -7.487 358 1HB PHE 46 2HB PHE 46 -10.717 0.883 -5.975 359 2HB PHE 46 1HB PHE 46 -10.435 1.971 -7.328 360 HD1 PHE 46 1HD PHE 46 -12.626 1.450 -4.378 361 HD2 PHE 46 2HD PHE 46 -10.996 4.222 -7.166 362 HE1 PHE 46 1HE PHE 46 -13.542 3.313 -3.057 363 HE2 PHE 46 2HE PHE 46 -11.908 6.089 -5.850 364 HZ PHE 46 HZ PHE 46 -13.182 5.637 -3.790 365 H ASP 47 H ASP 47 -10.345 -0.636 -8.343 366 HA ASP 47 HA ASP 47 -9.881 0.563 -10.848 367 1HB ASP 47 2HB ASP 47 -8.159 -0.900 -11.019 368 2HB ASP 47 1HB ASP 47 -8.521 -1.217 -9.326 369 H LYS 48 H LYS 48 -12.198 -1.777 -9.810 370 HA LYS 48 HA LYS 48 -12.924 -2.298 -12.611 371 1HB LYS 48 2HB LYS 48 -12.813 -4.019 -10.236 372 2HB LYS 48 1HB LYS 48 -14.299 -4.178 -11.163 373 1HG LYS 48 2HG LYS 48 -11.883 -4.183 -12.804 374 2HG LYS 48 1HG LYS 48 -11.976 -5.518 -11.653 375 1HD LYS 48 2HD LYS 48 -12.994 -6.212 -13.715 376 2HD LYS 48 1HD LYS 48 -14.261 -6.013 -12.503 377 1HE LYS 48 2HE LYS 48 -15.093 -4.101 -13.495 378 2HE LYS 48 1HE LYS 48 -13.569 -3.732 -14.302 379 1HZ LYS 48 1HZ LYS 48 -15.759 -5.417 -15.165 380 2HZ LYS 48 2HZ LYS 48 -14.220 -6.063 -15.436 381 3HZ LYS 48 3HZ LYS 48 -14.627 -4.555 -16.082 382 H LYS 49 H LYS 49 -13.715 -0.196 -10.423 383 HA LYS 49 HA LYS 49 -16.583 -0.325 -11.040 384 1HB LYS 49 2HB LYS 49 -15.641 -0.772 -8.536 385 2HB LYS 49 1HB LYS 49 -15.845 0.974 -8.493 386 1HG LYS 49 2HG LYS 49 -18.177 -0.070 -9.666 387 2HG LYS 49 1HG LYS 49 -17.812 -1.084 -8.268 388 1HD LYS 49 2HD LYS 49 -18.781 0.494 -7.024 389 2HD LYS 49 1HD LYS 49 -17.366 1.493 -7.359 390 1HE LYS 49 2HE LYS 49 -19.635 2.529 -7.836 391 2HE LYS 49 1HE LYS 49 -18.438 2.608 -9.128 392 1HZ LYS 49 1HZ LYS 49 -20.741 0.750 -8.923 393 2HZ LYS 49 2HZ LYS 49 -19.511 0.585 -10.072 394 3HZ LYS 49 3HZ LYS 49 -20.496 1.960 -10.080 395 H TYR 50 H TYR 50 -13.720 1.359 -11.217 396 HA TYR 50 HA TYR 50 -15.144 3.817 -11.945 397 1HB TYR 50 2HB TYR 50 -12.609 3.723 -10.293 398 2HB TYR 50 1HB TYR 50 -13.386 5.183 -10.895 399 HD1 TYR 50 1HD TYR 50 -13.550 2.482 -8.428 400 HD2 TYR 50 2HD TYR 50 -15.424 6.020 -9.871 401 HE1 TYR 50 1HE TYR 50 -14.900 2.597 -6.376 402 HE2 TYR 50 2HE TYR 50 -16.779 6.144 -7.821 403 HH TYR 50 HH TYR 50 -16.360 3.795 -5.194 404 H ASN 51 H ASN 51 -11.817 2.553 -11.832 405 HA ASN 51 HA ASN 51 -11.245 1.946 -14.365 406 1HB ASN 51 2HB ASN 51 -11.776 4.821 -14.203 407 2HB ASN 51 1HB ASN 51 -10.205 4.450 -14.908 408 1HD2 ASN 51 1HD2 ASN 51 -13.043 2.408 -15.119 409 2HD2 ASN 51 2HD2 ASN 51 -13.275 2.582 -16.822 410 HA PRO 52 HA PRO 52 -7.543 1.504 -11.868 411 1HB PRO 52 2HB PRO 52 -6.085 0.221 -13.821 412 2HB PRO 52 1HB PRO 52 -7.211 -0.583 -12.722 413 1HG PRO 52 2HG PRO 52 -7.627 0.315 -15.542 414 2HG PRO 52 1HG PRO 52 -8.163 -1.177 -14.750 415 1HD PRO 52 2HD PRO 52 -9.847 0.870 -15.177 416 2HD PRO 52 1HD PRO 52 -9.953 -0.130 -13.714 417 H THR 53 H THR 53 -4.796 3.438 -13.123 418 HA THR 53 HA THR 53 -5.710 1.057 -11.664 419 HB THR 53 HB THR 53 -2.955 1.494 -11.191 420 HG1 THR 53 1HG THR 53 -3.191 1.254 -13.934 421 1HG2 THR 53 1HG2 THR 53 -3.675 -0.457 -13.264 422 2HG2 THR 53 2HG2 THR 53 -4.489 -0.643 -11.710 423 3HG2 THR 53 3HG2 THR 53 -2.728 -0.653 -11.790 424 H TRP 54 H TRP 54 -6.260 1.309 -9.617 425 HA TRP 54 HA TRP 54 -5.584 3.796 -8.257 426 1HB TRP 54 2HB TRP 54 -7.443 1.570 -7.409 427 2HB TRP 54 1HB TRP 54 -7.273 3.134 -6.620 428 HD1 TRP 54 HD TRP 54 -8.325 1.759 -10.094 429 HE1 TRP 54 1HE TRP 54 -10.171 3.294 -11.019 430 HE3 TRP 54 3HE TRP 54 -8.413 5.254 -6.366 431 HZ2 TRP 54 2HZ TRP 54 -11.492 5.674 -10.264 432 HZ3 TRP 54 3HZ TRP 54 -9.996 7.130 -6.543 433 HH2 TRP 54 HH TRP 54 -11.502 7.335 -8.455 434 H HIS 55 H HIS 55 -4.687 3.903 -6.209 435 HA HIS 55 HA HIS 55 -3.325 1.478 -5.236 436 1HB HIS 55 2HB HIS 55 -2.132 4.257 -5.153 437 2HB HIS 55 1HB HIS 55 -1.346 2.745 -4.712 438 HD1 HIS 55 1HD HIS 55 0.327 2.150 -6.412 439 HD2 HIS 55 2HD HIS 55 -3.029 3.908 -8.118 440 HE1 HIS 55 1HE HIS 55 0.760 2.159 -8.888 441 HE2 HIS 55 2HE HIS 55 -1.247 3.303 -9.894 442 H CYS 56 H CYS 56 -4.519 1.027 -3.460 443 HA CYS 56 HA CYS 56 -5.120 3.253 -1.632 444 1HB CYS 56 2HB CYS 56 -6.530 0.659 -1.334 445 2HB CYS 56 1HB CYS 56 -7.126 2.299 -1.114 446 HG CYS 56 HG CYS 56 -7.716 2.440 -3.549 447 H ILE 57 H ILE 57 -4.371 3.262 0.369 448 HA ILE 57 HA ILE 57 -3.053 0.830 1.397 449 HB ILE 57 HB ILE 57 -2.255 3.675 2.024 450 1HG1 ILE 57 2HG1 ILE 57 -1.636 3.271 -0.253 451 2HG1 ILE 57 1HG1 ILE 57 -0.178 3.089 0.717 452 1HG2 ILE 57 1HG2 ILE 57 -0.163 2.292 2.821 453 2HG2 ILE 57 2HG2 ILE 57 -1.352 0.996 2.958 454 3HG2 ILE 57 3HG2 ILE 57 -1.573 2.492 3.863 455 1HD1 ILE 57 1HD1 ILE 57 -1.322 1.263 -1.103 456 2HD1 ILE 57 2HD1 ILE 57 -1.430 0.552 0.508 457 3HD1 ILE 57 3HD1 ILE 57 0.132 1.074 -0.123 458 H VAL 58 H VAL 58 -4.421 0.016 2.881 459 HA VAL 58 HA VAL 58 -5.774 1.897 4.690 460 HB VAL 58 HB VAL 58 -7.345 0.523 3.512 461 1HG1 VAL 58 1HG1 VAL 58 -6.994 -2.072 4.388 462 2HG1 VAL 58 2HG1 VAL 58 -5.363 -1.537 3.982 463 3HG1 VAL 58 3HG1 VAL 58 -6.645 -1.453 2.773 464 1HG2 VAL 58 1HG2 VAL 58 -7.106 -0.607 6.294 465 2HG2 VAL 58 2HG2 VAL 58 -8.572 -0.390 5.338 466 3HG2 VAL 58 3HG2 VAL 58 -7.701 1.017 5.947 467 H GLY 59 H GLY 59 -5.343 1.922 6.793 468 1HA GLY 59 2HA GLY 59 -4.184 -0.378 8.126 469 2HA GLY 59 1HA GLY 59 -3.139 1.033 8.020 470 H ARG 60 H ARG 60 -3.091 1.566 10.183 471 HA ARG 60 HA ARG 60 -5.406 2.924 11.191 472 1HB ARG 60 2HB ARG 60 -5.045 1.433 13.386 473 2HB ARG 60 1HB ARG 60 -6.225 1.050 12.142 474 1HG ARG 60 2HG ARG 60 -4.085 -0.225 11.148 475 2HG ARG 60 1HG ARG 60 -3.728 -0.325 12.874 476 1HD ARG 60 2HD ARG 60 -6.473 -0.921 12.531 477 2HD ARG 60 1HD ARG 60 -5.578 -1.853 11.332 478 HE ARG 60 HE ARG 60 -4.811 -3.171 13.024 479 1HH1 ARG 60 1HH1 ARG 60 -5.840 -0.128 14.371 480 2HH1 ARG 60 2HH1 ARG 60 -5.563 -0.611 16.011 481 1HH2 ARG 60 1HH2 ARG 60 -4.444 -3.821 15.178 482 2HH2 ARG 60 2HH2 ARG 60 -4.766 -2.713 16.470 483 H ASN 61 H ASN 61 -2.191 2.736 10.815 484 HA ASN 61 HA ASN 61 -1.620 4.904 12.496 485 1HB ASN 61 2HB ASN 61 -1.538 2.365 13.815 486 2HB ASN 61 1HB ASN 61 0.096 3.011 13.723 487 1HD2 ASN 61 1HD2 ASN 61 0.306 5.328 14.382 488 2HD2 ASN 61 2HD2 ASN 61 -0.611 5.842 15.754 489 H PHE 62 H PHE 62 -1.119 3.913 9.798 490 HA PHE 62 HA PHE 62 1.771 3.533 9.733 491 1HB PHE 62 2HB PHE 62 1.510 3.034 7.404 492 2HB PHE 62 1HB PHE 62 0.230 2.195 8.271 493 HD1 PHE 62 1HD PHE 62 0.676 3.445 5.295 494 HD2 PHE 62 2HD PHE 62 -1.739 4.313 8.688 495 HE1 PHE 62 1HE PHE 62 -0.994 4.501 3.829 496 HE2 PHE 62 2HE PHE 62 -3.416 5.369 7.230 497 HZ PHE 62 HZ PHE 62 -3.048 5.463 4.797 498 H GLY 63 H GLY 63 2.239 4.770 7.231 499 1HA GLY 63 2HA GLY 63 1.593 7.590 7.554 500 2HA GLY 63 1HA GLY 63 3.287 7.165 7.753 501 H SER 64 H SER 64 0.572 7.009 5.506 502 HA SER 64 HA SER 64 2.167 6.251 3.268 503 1HB SER 64 2HB SER 64 0.196 6.423 1.979 504 2HB SER 64 1HB SER 64 -0.358 5.907 3.572 505 HG SER 64 HG SER 64 -1.604 7.594 3.439 506 H TYR 65 H TYR 65 3.032 7.459 1.654 507 HA TYR 65 HA TYR 65 2.595 10.320 1.534 508 1HB TYR 65 2HB TYR 65 4.387 10.057 3.238 509 2HB TYR 65 1HB TYR 65 5.368 9.220 2.041 510 HD1 TYR 65 1HD TYR 65 6.458 10.434 0.256 511 HD2 TYR 65 2HD TYR 65 3.990 12.459 3.067 512 HE1 TYR 65 1HE TYR 65 7.368 12.587 -0.505 513 HE2 TYR 65 2HE TYR 65 4.892 14.618 2.314 514 HH TYR 65 HH TYR 65 7.505 14.791 -0.057 515 H VAL 66 H VAL 66 1.749 9.721 -0.514 516 HA VAL 66 HA VAL 66 3.847 9.248 -2.517 517 HB VAL 66 HB VAL 66 2.537 7.722 -3.745 518 1HG1 VAL 66 1HG1 VAL 66 3.508 7.023 -1.404 519 2HG1 VAL 66 2HG1 VAL 66 2.542 5.898 -2.360 520 3HG1 VAL 66 3HG1 VAL 66 1.805 6.777 -1.019 521 1HG2 VAL 66 1HG2 VAL 66 0.196 7.914 -1.896 522 2HG2 VAL 66 2HG2 VAL 66 0.260 7.368 -3.572 523 3HG2 VAL 66 3HG2 VAL 66 0.385 9.088 -3.199 524 H THR 67 H THR 67 3.059 9.820 -4.763 525 HA THR 67 HA THR 67 1.876 12.456 -4.643 526 HB THR 67 HB THR 67 3.896 11.663 -6.089 527 HG1 THR 67 1HG THR 67 2.933 13.749 -6.169 528 1HG2 THR 67 1HG2 THR 67 1.719 10.330 -7.425 529 2HG2 THR 67 2HG2 THR 67 3.460 10.197 -7.681 530 3HG2 THR 67 3HG2 THR 67 2.542 11.467 -8.491 531 H HIS 68 H HIS 68 0.437 12.884 -6.789 532 HA HIS 68 HA HIS 68 -1.647 10.814 -6.858 533 1HB HIS 68 2HB HIS 68 -3.251 12.868 -7.060 534 2HB HIS 68 1HB HIS 68 -2.693 12.352 -5.472 535 HD1 HIS 68 1HD HIS 68 0.156 13.711 -5.684 536 HD2 HIS 68 2HD HIS 68 -3.490 15.548 -6.463 537 HE1 HIS 68 1HE HIS 68 0.560 16.174 -5.361 538 HE2 HIS 68 2HE HIS 68 -1.664 17.264 -5.822 539 H GLU 69 H GLU 69 -2.931 10.766 -8.776 540 HA GLU 69 HA GLU 69 -1.762 12.238 -11.040 541 1HB GLU 69 2HB GLU 69 -2.703 9.366 -11.113 542 2HB GLU 69 1HB GLU 69 -1.984 10.267 -12.441 543 1HG GLU 69 2HG GLU 69 -0.455 9.944 -9.906 544 2HG GLU 69 1HG GLU 69 -0.562 8.594 -11.034 545 H THR 70 H THR 70 -3.930 10.195 -12.318 546 HA THR 70 HA THR 70 -5.712 11.823 -13.377 547 HB THR 70 HB THR 70 -7.492 10.004 -12.985 548 HG1 THR 70 1HG THR 70 -6.862 8.926 -11.238 549 1HG2 THR 70 1HG2 THR 70 -5.054 9.901 -14.532 550 2HG2 THR 70 2HG2 THR 70 -6.694 9.417 -14.966 551 3HG2 THR 70 3HG2 THR 70 -5.641 8.293 -14.107 552 H LYS 71 H LYS 71 -7.488 10.163 -10.936 553 HA LYS 71 HA LYS 71 -8.854 12.551 -10.179 554 1HB LYS 71 2HB LYS 71 -9.015 9.917 -8.727 555 2HB LYS 71 1HB LYS 71 -10.249 11.163 -8.863 556 1HG LYS 71 2HG LYS 71 -9.279 9.333 -11.046 557 2HG LYS 71 1HG LYS 71 -10.851 9.299 -10.244 558 1HD LYS 71 2HD LYS 71 -10.898 11.818 -11.103 559 2HD LYS 71 1HD LYS 71 -9.810 11.146 -12.319 560 1HE LYS 71 2HE LYS 71 -11.641 10.495 -13.412 561 2HE LYS 71 1HE LYS 71 -11.835 9.276 -12.152 562 1HZ LYS 71 1HZ LYS 71 -13.723 11.006 -12.738 563 2HZ LYS 71 2HZ LYS 71 -12.886 11.943 -11.605 564 3HZ LYS 71 3HZ LYS 71 -13.496 10.428 -11.163 565 H HIS 72 H HIS 72 -5.962 12.428 -9.598 566 HA HIS 72 HA HIS 72 -4.527 13.129 -7.982 567 1HB HIS 72 2HB HIS 72 -7.159 13.985 -6.805 568 2HB HIS 72 1HB HIS 72 -5.650 14.237 -5.934 569 HD1 HIS 72 1HD HIS 72 -4.609 16.435 -6.351 570 HD2 HIS 72 2HD HIS 72 -6.966 15.218 -9.551 571 HE1 HIS 72 1HE HIS 72 -4.544 18.336 -7.997 572 HE2 HIS 72 2HE HIS 72 -6.005 17.593 -9.909 573 H PHE 73 H PHE 73 -6.941 12.403 -5.552 574 HA PHE 73 HA PHE 73 -6.620 9.804 -4.932 575 1HB PHE 73 2HB PHE 73 -4.684 9.437 -3.691 576 2HB PHE 73 1HB PHE 73 -4.103 10.494 -4.971 577 HD1 PHE 73 1HD PHE 73 -3.223 9.889 -1.936 578 HD2 PHE 73 2HD PHE 73 -5.107 13.109 -3.982 579 HE1 PHE 73 1HE PHE 73 -2.373 11.457 -0.241 580 HE2 PHE 73 2HE PHE 73 -4.259 14.684 -2.293 581 HZ PHE 73 HZ PHE 73 -2.889 13.859 -0.419 582 H ILE 74 H ILE 74 -7.205 9.257 -2.715 583 HA ILE 74 HA ILE 74 -8.228 11.559 -1.196 584 HB ILE 74 HB ILE 74 -10.049 10.345 -2.412 585 1HG1 ILE 74 2HG1 ILE 74 -9.907 10.689 0.558 586 2HG1 ILE 74 1HG1 ILE 74 -10.856 11.576 -0.625 587 1HG2 ILE 74 1HG2 ILE 74 -10.619 8.130 -1.034 588 2HG2 ILE 74 2HG2 ILE 74 -8.862 8.096 -0.895 589 3HG2 ILE 74 3HG2 ILE 74 -9.620 8.118 -2.487 590 1HD1 ILE 74 1HD1 ILE 74 -11.684 9.506 1.095 591 2HD1 ILE 74 2HD1 ILE 74 -11.788 8.891 -0.556 592 3HD1 ILE 74 3HD1 ILE 74 -12.631 10.375 -0.111 593 H TYR 75 H TYR 75 -7.853 11.548 0.932 594 HA TYR 75 HA TYR 75 -6.778 9.089 2.149 595 1HB TYR 75 2HB TYR 75 -5.145 11.079 1.651 596 2HB TYR 75 1HB TYR 75 -5.904 11.814 3.059 597 HD1 TYR 75 1HD TYR 75 -4.030 11.819 4.513 598 HD2 TYR 75 2HD TYR 75 -5.253 8.197 2.645 599 HE1 TYR 75 1HE TYR 75 -2.521 10.554 5.988 600 HE2 TYR 75 2HE TYR 75 -3.749 6.924 4.115 601 HH TYR 75 HH TYR 75 -2.685 7.659 6.739 602 H PHE 76 H PHE 76 -7.557 8.567 4.154 603 HA PHE 76 HA PHE 76 -8.953 10.450 5.798 604 1HB PHE 76 2HB PHE 76 -11.109 9.013 5.708 605 2HB PHE 76 1HB PHE 76 -10.825 10.189 4.430 606 HD1 PHE 76 1HD PHE 76 -9.512 9.229 2.344 607 HD2 PHE 76 2HD PHE 76 -11.741 6.894 5.116 608 HE1 PHE 76 1HE PHE 76 -9.736 7.450 0.658 609 HE2 PHE 76 2HE PHE 76 -11.968 5.110 3.437 610 HZ PHE 76 HZ PHE 76 -10.966 5.387 1.205 611 H TYR 77 H TYR 77 -9.877 9.396 7.756 612 HA TYR 77 HA TYR 77 -8.520 6.852 8.357 613 1HB TYR 77 2HB TYR 77 -7.307 8.744 9.385 614 2HB TYR 77 1HB TYR 77 -8.779 9.216 10.226 615 HD1 TYR 77 1HD TYR 77 -6.179 6.606 9.976 616 HD2 TYR 77 2HD TYR 77 -9.467 8.108 12.220 617 HE1 TYR 77 1HE TYR 77 -5.588 5.107 11.834 618 HE2 TYR 77 2HE TYR 77 -8.884 6.613 14.084 619 HH TYR 77 HH TYR 77 -7.532 5.005 14.803 620 H LEU 78 H LEU 78 -10.334 5.588 8.177 621 HA LEU 78 HA LEU 78 -12.910 6.046 8.915 622 1HB LEU 78 2HB LEU 78 -11.221 3.582 8.968 623 2HB LEU 78 1HB LEU 78 -12.854 3.514 9.603 624 HG LEU 78 HG LEU 78 -12.589 2.785 7.209 625 1HD1 LEU 78 1HD1 LEU 78 -14.562 4.182 6.425 626 2HD1 LEU 78 2HD1 LEU 78 -14.461 4.996 7.986 627 3HD1 LEU 78 3HD1 LEU 78 -14.771 3.261 7.915 628 1HD2 LEU 78 1HD2 LEU 78 -11.006 4.340 6.372 629 2HD2 LEU 78 2HD2 LEU 78 -11.992 5.715 6.871 630 3HD2 LEU 78 3HD2 LEU 78 -12.529 4.677 5.551 631 H GLY 79 H GLY 79 -14.177 5.421 10.798 632 1HA GLY 79 2HA GLY 79 -13.691 6.646 13.107 633 2HA GLY 79 1HA GLY 79 -14.513 5.094 13.086 634 H GLN 80 H GLN 80 -12.070 3.710 12.124 635 HA GLN 80 HA GLN 80 -10.153 4.053 14.268 636 1HB GLN 80 2HB GLN 80 -10.360 1.812 15.151 637 2HB GLN 80 1HB GLN 80 -11.915 2.625 15.269 638 1HG GLN 80 2HG GLN 80 -12.690 1.447 13.281 639 2HG GLN 80 1HG GLN 80 -11.128 0.642 13.145 640 1HE2 GLN 80 1HE2 GLN 80 -10.471 -0.412 15.339 641 2HE2 GLN 80 2HE2 GLN 80 -11.695 -1.397 16.059 642 H VAL 81 H VAL 81 -10.094 4.259 11.392 643 HA VAL 81 HA VAL 81 -7.815 2.554 10.895 644 HB VAL 81 HB VAL 81 -10.318 2.309 9.225 645 1HG1 VAL 81 1HG1 VAL 81 -9.126 1.026 7.645 646 2HG1 VAL 81 2HG1 VAL 81 -7.694 0.950 8.671 647 3HG1 VAL 81 3HG1 VAL 81 -8.155 2.473 7.912 648 1HG2 VAL 81 1HG2 VAL 81 -8.794 0.031 10.409 649 2HG2 VAL 81 2HG2 VAL 81 -10.500 0.138 9.978 650 3HG2 VAL 81 3HG2 VAL 81 -9.902 0.960 11.418 651 H ALA 82 H ALA 82 -6.935 3.018 8.611 652 HA ALA 82 HA ALA 82 -7.555 5.756 7.755 653 1HB ALA 82 1HB ALA 82 -5.677 6.481 8.723 654 2HB ALA 82 2HB ALA 82 -4.822 5.618 7.446 655 3HB ALA 82 3HB ALA 82 -5.091 4.842 9.007 656 H ILE 83 H ILE 83 -7.999 5.731 5.651 657 HA ILE 83 HA ILE 83 -6.744 3.655 3.983 658 HB ILE 83 HB ILE 83 -9.078 5.064 2.877 659 1HG1 ILE 83 2HG1 ILE 83 -9.670 4.797 5.305 660 2HG1 ILE 83 1HG1 ILE 83 -10.732 3.933 4.198 661 1HG2 ILE 83 1HG2 ILE 83 -8.475 3.332 1.535 662 2HG2 ILE 83 2HG2 ILE 83 -9.607 2.476 2.582 663 3HG2 ILE 83 3HG2 ILE 83 -7.872 2.358 2.875 664 1HD1 ILE 83 1HD1 ILE 83 -9.937 1.870 4.842 665 2HD1 ILE 83 2HD1 ILE 83 -9.904 2.775 6.355 666 3HD1 ILE 83 3HD1 ILE 83 -8.415 2.528 5.443 667 H LEU 84 H LEU 84 -5.460 4.233 2.379 668 HA LEU 84 HA LEU 84 -5.392 7.062 1.568 669 1HB LEU 84 2HB LEU 84 -3.327 6.751 2.554 670 2HB LEU 84 1HB LEU 84 -3.232 5.068 2.072 671 HG LEU 84 HG LEU 84 -3.110 6.233 -0.353 672 1HD1 LEU 84 1HD1 LEU 84 -2.858 8.437 -0.153 673 2HD1 LEU 84 2HD1 LEU 84 -1.232 8.083 0.431 674 3HD1 LEU 84 3HD1 LEU 84 -2.547 8.330 1.579 675 1HD2 LEU 84 1HD2 LEU 84 -1.087 5.345 1.622 676 2HD2 LEU 84 2HD2 LEU 84 -0.503 6.206 0.198 677 3HD2 LEU 84 3HD2 LEU 84 -1.447 4.729 0.008 678 H LEU 85 H LEU 85 -6.810 6.863 -0.162 679 HA LEU 85 HA LEU 85 -6.230 4.869 -2.209 680 1HB LEU 85 2HB LEU 85 -8.547 6.422 -1.390 681 2HB LEU 85 1HB LEU 85 -8.303 6.475 -3.125 682 HG LEU 85 HG LEU 85 -8.280 3.983 -3.151 683 1HD1 LEU 85 1HD1 LEU 85 -9.185 4.251 -0.289 684 2HD1 LEU 85 2HD1 LEU 85 -7.598 3.676 -0.803 685 3HD1 LEU 85 3HD1 LEU 85 -9.046 2.759 -1.218 686 1HD2 LEU 85 1HD2 LEU 85 -10.540 3.874 -3.368 687 2HD2 LEU 85 2HD2 LEU 85 -10.363 5.627 -3.294 688 3HD2 LEU 85 3HD2 LEU 85 -10.838 4.727 -1.854 689 H PHE 86 H PHE 86 -5.355 5.301 -4.152 690 HA PHE 86 HA PHE 86 -5.345 7.846 -5.375 691 1HB PHE 86 2HB PHE 86 -3.314 8.759 -4.873 692 2HB PHE 86 1HB PHE 86 -3.584 7.894 -3.366 693 HD1 PHE 86 1HD PHE 86 -2.354 5.837 -2.878 694 HD2 PHE 86 2HD PHE 86 -1.617 8.087 -6.414 695 HE1 PHE 86 1HE PHE 86 -0.234 4.630 -3.200 696 HE2 PHE 86 2HE PHE 86 0.504 6.883 -6.744 697 HZ PHE 86 HZ PHE 86 1.196 5.153 -5.135 698 H LYS 87 H LYS 87 -5.331 7.411 -7.462 699 HA LYS 87 HA LYS 87 -4.010 4.958 -8.392 700 1HB LYS 87 2HB LYS 87 -5.456 5.283 -10.429 701 2HB LYS 87 1HB LYS 87 -6.325 4.942 -8.939 702 1HG LYS 87 2HG LYS 87 -6.842 7.314 -8.692 703 2HG LYS 87 1HG LYS 87 -5.965 7.659 -10.185 704 1HD LYS 87 2HD LYS 87 -8.204 5.671 -10.147 705 2HD LYS 87 1HD LYS 87 -8.538 7.400 -10.271 706 1HE LYS 87 2HE LYS 87 -6.508 6.920 -12.120 707 2HE LYS 87 1HE LYS 87 -7.604 5.550 -12.286 708 1HZ LYS 87 1HZ LYS 87 -9.212 7.783 -12.119 709 2HZ LYS 87 2HZ LYS 87 -8.888 6.864 -13.501 710 3HZ LYS 87 3HZ LYS 87 -7.949 8.226 -13.155 711 H SER 88 H SER 88 -2.562 4.987 -10.076 712 HA SER 88 HA SER 88 -1.521 7.638 -10.775 713 1HB SER 88 2HB SER 88 -0.271 4.999 -10.308 714 2HB SER 88 1HB SER 88 0.429 5.968 -11.605 715 HG SER 88 HG SER 88 0.210 6.573 -8.858 716 H GLY 89 H GLY 89 -3.726 5.942 -11.983 717 1HA GLY 89 2HA GLY 89 -3.282 4.862 -14.408 718 2HA GLY 89 1HA GLY 89 -4.628 5.957 -14.127 719 1H MET 1 1HT MET 1 22.492 -4.822 13.736 720 2H MET 1 2HT MET 1 20.973 -4.134 14.140 721 3H MET 1 3HT MET 1 21.997 -4.742 15.376 722 HA MET 1 HA MET 1 21.862 -2.188 14.338 723 1HB MET 1 2HB MET 1 22.580 -3.508 16.636 724 2HB MET 1 1HB MET 1 24.131 -2.911 16.062 725 1HG MET 1 2HG MET 1 23.664 -0.828 16.668 726 2HG MET 1 1HG MET 1 22.068 -0.885 15.922 727 1HE MET 1 1HE MET 1 21.381 0.681 17.434 728 2HE MET 1 2HE MET 1 21.236 0.562 19.188 729 3HE MET 1 3HE MET 1 20.006 -0.161 18.150 730 H CYS 2 H CYS 2 22.885 -4.012 12.296 731 HA CYS 2 HA CYS 2 25.629 -3.026 11.945 732 1HB CYS 2 2HB CYS 2 24.170 -5.212 10.446 733 2HB CYS 2 1HB CYS 2 25.862 -4.773 10.243 734 HG CYS 2 HG CYS 2 24.945 -6.787 12.139 735 H ASP 3 H ASP 3 22.811 -3.698 9.864 736 HA ASP 3 HA ASP 3 22.510 -1.121 8.861 737 1HB ASP 3 2HB ASP 3 23.577 -1.200 6.702 738 2HB ASP 3 1HB ASP 3 24.792 -1.541 7.931 739 H ARG 4 H ARG 4 21.418 -1.260 6.531 740 HA ARG 4 HA ARG 4 19.596 -1.943 5.352 741 1HB ARG 4 2HB ARG 4 20.930 -3.867 4.753 742 2HB ARG 4 1HB ARG 4 20.557 -4.654 6.282 743 1HG ARG 4 2HG ARG 4 19.143 -5.735 4.826 744 2HG ARG 4 1HG ARG 4 18.095 -4.475 5.478 745 1HD ARG 4 2HD ARG 4 18.477 -3.100 3.522 746 2HD ARG 4 1HD ARG 4 19.621 -4.279 2.885 747 HE ARG 4 HE ARG 4 16.854 -4.325 2.515 748 1HH1 ARG 4 1HH1 ARG 4 19.432 -6.483 3.421 749 2HH1 ARG 4 2HH1 ARG 4 18.647 -7.893 2.793 750 1HH2 ARG 4 1HH2 ARG 4 15.810 -6.174 1.686 751 2HH2 ARG 4 2HH2 ARG 4 16.587 -7.718 1.805 752 H LYS 5 H LYS 5 19.729 -1.840 8.530 753 HA LYS 5 HA LYS 5 17.934 -3.234 9.870 754 1HB LYS 5 2HB LYS 5 18.909 -1.285 10.871 755 2HB LYS 5 1HB LYS 5 18.065 -0.221 9.754 756 1HG LYS 5 2HG LYS 5 16.147 -0.280 10.934 757 2HG LYS 5 1HG LYS 5 16.360 -1.969 11.401 758 1HD LYS 5 2HD LYS 5 18.291 -1.049 12.873 759 2HD LYS 5 1HD LYS 5 17.480 0.504 12.665 760 1HE LYS 5 2HE LYS 5 15.367 -0.968 13.345 761 2HE LYS 5 1HE LYS 5 16.617 -1.913 14.150 762 1HZ LYS 5 1HZ LYS 5 16.816 0.936 14.572 763 2HZ LYS 5 2HZ LYS 5 16.929 -0.334 15.684 764 3HZ LYS 5 3HZ LYS 5 15.411 0.240 15.207 765 H ALA 6 H ALA 6 16.100 -4.144 9.255 766 HA ALA 6 HA ALA 6 13.689 -3.002 8.927 767 1HB ALA 6 1HB ALA 6 15.273 -2.672 6.470 768 2HB ALA 6 2HB ALA 6 13.892 -1.752 7.064 769 3HB ALA 6 3HB ALA 6 13.638 -3.289 6.238 770 H VAL 7 H VAL 7 12.316 -4.391 7.083 771 HA VAL 7 HA VAL 7 13.195 -7.160 7.072 772 HB VAL 7 HB VAL 7 10.602 -6.377 8.417 773 1HG1 VAL 7 1HG1 VAL 7 10.514 -8.809 8.974 774 2HG1 VAL 7 2HG1 VAL 7 11.873 -9.056 7.877 775 3HG1 VAL 7 3HG1 VAL 7 10.336 -8.453 7.257 776 1HG2 VAL 7 1HG2 VAL 7 12.792 -5.977 9.682 777 2HG2 VAL 7 2HG2 VAL 7 12.939 -7.734 9.728 778 3HG2 VAL 7 3HG2 VAL 7 11.554 -6.945 10.481 779 H ILE 8 H ILE 8 13.179 -6.347 4.792 780 HA ILE 8 HA ILE 8 11.036 -5.546 3.324 781 HB ILE 8 HB ILE 8 13.476 -7.079 2.717 782 1HG1 ILE 8 2HG1 ILE 8 13.066 -5.353 0.662 783 2HG1 ILE 8 1HG1 ILE 8 12.119 -4.582 1.931 784 1HG2 ILE 8 1HG2 ILE 8 12.847 -8.283 0.951 785 2HG2 ILE 8 2HG2 ILE 8 11.854 -6.972 0.314 786 3HG2 ILE 8 3HG2 ILE 8 11.191 -8.073 1.522 787 1HD1 ILE 8 1HD1 ILE 8 14.550 -5.292 3.116 788 2HD1 ILE 8 2HD1 ILE 8 13.986 -3.677 2.683 789 3HD1 ILE 8 3HD1 ILE 8 14.951 -4.611 1.539 790 H LYS 9 H LYS 9 9.309 -6.454 2.302 791 HA LYS 9 HA LYS 9 8.576 -9.171 3.182 792 1HB LYS 9 2HB LYS 9 6.618 -7.080 2.252 793 2HB LYS 9 1HB LYS 9 6.301 -8.535 3.187 794 1HG LYS 9 2HG LYS 9 8.055 -6.422 4.341 795 2HG LYS 9 1HG LYS 9 6.305 -6.189 4.328 796 1HD LYS 9 2HD LYS 9 6.818 -7.196 6.407 797 2HD LYS 9 1HD LYS 9 6.127 -8.473 5.404 798 1HE LYS 9 2HE LYS 9 8.331 -9.327 4.904 799 2HE LYS 9 1HE LYS 9 9.079 -7.994 5.782 800 1HZ LYS 9 1HZ LYS 9 7.418 -10.170 6.928 801 2HZ LYS 9 2HZ LYS 9 7.954 -8.826 7.804 802 3HZ LYS 9 3HZ LYS 9 9.074 -9.920 7.165 803 H ASN 10 H ASN 10 8.954 -6.985 0.527 804 HA ASN 10 HA ASN 10 8.913 -9.165 -1.359 805 1HB ASN 10 2HB ASN 10 6.476 -8.168 -0.996 806 2HB ASN 10 1HB ASN 10 7.075 -6.930 -2.096 807 1HD2 ASN 10 1HD2 ASN 10 8.600 -8.275 -3.832 808 2HD2 ASN 10 2HD2 ASN 10 7.664 -9.437 -4.702 809 H ALA 11 H ALA 11 8.140 -5.875 -2.243 810 HA ALA 11 HA ALA 11 9.411 -4.158 -3.073 811 1HB ALA 11 1HB ALA 11 11.136 -4.221 -1.578 812 2HB ALA 11 2HB ALA 11 12.000 -4.621 -3.063 813 3HB ALA 11 3HB ALA 11 11.537 -5.900 -1.941 814 H ASP 12 H ASP 12 8.699 -4.297 -5.162 815 HA ASP 12 HA ASP 12 9.946 -6.201 -6.978 816 1HB ASP 12 2HB ASP 12 7.397 -5.244 -6.858 817 2HB ASP 12 1HB ASP 12 8.094 -4.187 -8.084 818 H MET 13 H MET 13 11.476 -4.064 -5.754 819 HA MET 13 HA MET 13 12.234 -2.529 -8.150 820 1HB MET 13 2HB MET 13 11.677 -0.833 -6.721 821 2HB MET 13 1HB MET 13 11.984 -1.796 -5.285 822 1HG MET 13 2HG MET 13 14.482 -1.406 -6.481 823 2HG MET 13 1HG MET 13 13.652 0.148 -6.573 824 1HE MET 13 1HE MET 13 12.694 1.345 -4.933 825 2HE MET 13 2HE MET 13 13.603 1.666 -3.456 826 3HE MET 13 3HE MET 13 12.177 0.629 -3.406 827 H SER 14 H SER 14 14.487 -2.176 -8.512 828 HA SER 14 HA SER 14 16.135 -4.287 -8.542 829 1HB SER 14 2HB SER 14 17.867 -2.141 -7.905 830 2HB SER 14 1HB SER 14 17.436 -2.742 -9.507 831 HG SER 14 HG SER 14 16.987 -0.431 -8.955 832 H GLU 15 H GLU 15 17.934 -5.040 -7.290 833 HA GLU 15 HA GLU 15 17.339 -5.431 -4.574 834 1HB GLU 15 2HB GLU 15 19.236 -6.401 -6.443 835 2HB GLU 15 1HB GLU 15 20.139 -5.828 -5.047 836 1HG GLU 15 2HG GLU 15 18.052 -7.247 -3.933 837 2HG GLU 15 1HG GLU 15 18.489 -8.189 -5.357 838 H GLU 16 H GLU 16 20.243 -3.791 -5.849 839 HA GLU 16 HA GLU 16 21.078 -2.597 -3.524 840 1HB GLU 16 2HB GLU 16 21.289 -1.741 -6.397 841 2HB GLU 16 1HB GLU 16 21.958 -0.741 -5.115 842 1HG GLU 16 2HG GLU 16 23.727 -2.067 -5.922 843 2HG GLU 16 1HG GLU 16 23.259 -2.759 -4.369 844 H MET 17 H MET 17 18.341 -1.790 -5.468 845 HA MET 17 HA MET 17 17.999 0.868 -4.440 846 1HB MET 17 2HB MET 17 16.435 -0.968 -6.191 847 2HB MET 17 1HB MET 17 15.582 0.361 -5.415 848 1HG MET 17 2HG MET 17 18.011 1.330 -6.563 849 2HG MET 17 1HG MET 17 17.105 0.420 -7.770 850 1HE MET 17 1HE MET 17 17.106 3.219 -5.184 851 2HE MET 17 2HE MET 17 15.504 2.626 -4.747 852 3HE MET 17 3HE MET 17 15.677 4.185 -5.552 853 H GLN 18 H GLN 18 16.590 -2.314 -3.756 854 HA GLN 18 HA GLN 18 14.713 -1.411 -1.841 855 1HB GLN 18 2HB GLN 18 15.371 -4.001 -1.085 856 2HB GLN 18 1HB GLN 18 14.084 -3.533 -2.187 857 1HG GLN 18 2HG GLN 18 16.331 -3.560 -3.786 858 2HG GLN 18 1HG GLN 18 16.564 -4.934 -2.708 859 1HE2 GLN 18 1HE2 GLN 18 13.376 -3.848 -3.479 860 2HE2 GLN 18 2HE2 GLN 18 12.950 -5.162 -4.517 861 H GLN 19 H GLN 19 18.108 -2.140 -1.707 862 HA GLN 19 HA GLN 19 18.247 -2.243 1.161 863 1HB GLN 19 2HB GLN 19 20.589 -1.704 -0.648 864 2HB GLN 19 1HB GLN 19 20.565 -2.549 0.894 865 1HG GLN 19 2HG GLN 19 19.104 -3.672 -1.455 866 2HG GLN 19 1HG GLN 19 20.846 -3.886 -1.302 867 1HE2 GLN 19 1HE2 GLN 19 21.415 -4.506 1.112 868 2HE2 GLN 19 2HE2 GLN 19 20.518 -5.853 1.714 869 H ASP 20 H ASP 20 18.955 0.088 -1.382 870 HA ASP 20 HA ASP 20 19.863 2.135 0.367 871 1HB ASP 20 2HB ASP 20 19.267 1.875 -2.509 872 2HB ASP 20 1HB ASP 20 19.015 3.487 -1.849 873 H SER 21 H SER 21 16.788 1.030 -0.757 874 HA SER 21 HA SER 21 15.267 3.346 -0.141 875 1HB SER 21 2HB SER 21 14.117 1.897 -1.551 876 2HB SER 21 1HB SER 21 14.629 0.463 -0.660 877 HG SER 21 HG SER 21 12.681 2.376 0.101 878 H VAL 22 H VAL 22 15.882 0.307 1.607 879 HA VAL 22 HA VAL 22 14.407 0.866 3.903 880 HB VAL 22 HB VAL 22 16.978 -0.704 3.653 881 1HG1 VAL 22 1HG1 VAL 22 15.144 -0.218 5.949 882 2HG1 VAL 22 2HG1 VAL 22 16.903 -0.346 5.919 883 3HG1 VAL 22 3HG1 VAL 22 15.910 -1.798 5.786 884 1HG2 VAL 22 1HG2 VAL 22 14.452 -1.247 2.646 885 2HG2 VAL 22 2HG2 VAL 22 14.540 -2.193 4.132 886 3HG2 VAL 22 3HG2 VAL 22 15.762 -2.405 2.879 887 H GLU 23 H GLU 23 17.800 1.599 3.137 888 HA GLU 23 HA GLU 23 18.473 2.810 5.579 889 1HB GLU 23 2HB GLU 23 19.521 3.230 2.776 890 2HB GLU 23 1HB GLU 23 20.218 4.024 4.181 891 1HG GLU 23 2HG GLU 23 20.136 1.369 4.917 892 2HG GLU 23 1HG GLU 23 20.565 1.317 3.207 893 H CYS 24 H CYS 24 17.011 4.093 2.641 894 HA CYS 24 HA CYS 24 17.006 6.815 3.442 895 1HB CYS 24 2HB CYS 24 15.721 5.199 1.307 896 2HB CYS 24 1HB CYS 24 14.921 6.710 1.728 897 HG CYS 24 HG CYS 24 17.212 6.541 -0.076 898 H ALA 25 H ALA 25 14.850 4.106 3.937 899 HA ALA 25 HA ALA 25 12.688 5.625 5.038 900 1HB ALA 25 1HB ALA 25 13.351 2.692 5.381 901 2HB ALA 25 2HB ALA 25 12.366 3.367 4.082 902 3HB ALA 25 3HB ALA 25 11.808 3.463 5.752 903 H THR 26 H THR 26 15.593 4.119 6.118 904 HA THR 26 HA THR 26 15.125 4.279 8.919 905 HB THR 26 HB THR 26 17.784 4.208 7.491 906 HG1 THR 26 1HG THR 26 17.316 2.277 6.869 907 1HG2 THR 26 1HG2 THR 26 18.411 4.337 9.648 908 2HG2 THR 26 2HG2 THR 26 18.120 2.600 9.558 909 3HG2 THR 26 3HG2 THR 26 16.896 3.665 10.249 910 H GLN 27 H GLN 27 16.735 6.303 6.514 911 HA GLN 27 HA GLN 27 17.868 8.204 8.197 912 1HB GLN 27 2HB GLN 27 16.746 8.458 5.406 913 2HB GLN 27 1HB GLN 27 17.594 9.768 6.218 914 1HG GLN 27 2HG GLN 27 18.931 7.123 6.049 915 2HG GLN 27 1HG GLN 27 18.828 8.108 4.590 916 1HE2 GLN 27 1HE2 GLN 27 18.857 10.557 6.324 917 2HE2 GLN 27 2HE2 GLN 27 20.520 10.774 6.740 918 H ALA 28 H ALA 28 14.656 8.080 6.725 919 HA ALA 28 HA ALA 28 13.704 10.501 7.845 920 1HB ALA 28 1HB ALA 28 12.665 8.382 6.215 921 2HB ALA 28 2HB ALA 28 12.086 10.039 6.391 922 3HB ALA 28 3HB ALA 28 11.507 8.783 7.484 923 H LEU 29 H LEU 29 13.797 7.187 8.966 924 HA LEU 29 HA LEU 29 12.042 7.465 11.158 925 1HB LEU 29 2HB LEU 29 14.214 5.526 10.460 926 2HB LEU 29 1HB LEU 29 13.407 5.442 12.016 927 HG LEU 29 HG LEU 29 11.570 5.580 9.735 928 1HD1 LEU 29 1HD1 LEU 29 13.796 3.987 9.361 929 2HD1 LEU 29 2HD1 LEU 29 12.248 3.851 8.526 930 3HD1 LEU 29 3HD1 LEU 29 12.565 2.876 9.962 931 1HD2 LEU 29 1HD2 LEU 29 10.758 3.488 11.054 932 2HD2 LEU 29 2HD2 LEU 29 10.546 5.099 11.739 933 3HD2 LEU 29 3HD2 LEU 29 11.869 4.071 12.293 934 H GLU 30 H GLU 30 15.590 7.562 10.958 935 HA GLU 30 HA GLU 30 16.008 8.126 13.696 936 1HB GLU 30 2HB GLU 30 18.297 8.828 12.921 937 2HB GLU 30 1HB GLU 30 17.814 7.207 12.438 938 1HG GLU 30 2HG GLU 30 18.251 7.717 10.338 939 2HG GLU 30 1HG GLU 30 16.996 8.955 10.386 940 H LYS 31 H LYS 31 15.258 10.114 10.948 941 HA LYS 31 HA LYS 31 15.977 12.577 12.295 942 1HB LYS 31 2HB LYS 31 14.527 12.159 9.674 943 2HB LYS 31 1HB LYS 31 15.176 13.682 10.266 944 1HG LYS 31 2HG LYS 31 16.798 11.237 9.593 945 2HG LYS 31 1HG LYS 31 16.614 12.664 8.573 946 1HD LYS 31 2HD LYS 31 17.494 13.955 10.636 947 2HD LYS 31 1HD LYS 31 18.058 12.375 11.181 948 1HE LYS 31 2HE LYS 31 19.769 13.684 9.935 949 2HE LYS 31 1HE LYS 31 19.413 12.110 9.225 950 1HZ LYS 31 1HZ LYS 31 19.034 13.174 7.335 951 2HZ LYS 31 2HZ LYS 31 19.151 14.690 8.075 952 3HZ LYS 31 3HZ LYS 31 17.666 13.880 8.038 953 H TYR 32 H TYR 32 13.168 10.611 11.783 954 HA TYR 32 HA TYR 32 11.659 12.216 13.640 955 1HB TYR 32 2HB TYR 32 9.998 11.778 11.286 956 2HB TYR 32 1HB TYR 32 10.220 13.236 12.249 957 HD1 TYR 32 1HD TYR 32 11.620 11.270 9.443 958 HD2 TYR 32 2HD TYR 32 11.611 14.997 11.494 959 HE1 TYR 32 1HE TYR 32 12.913 12.273 7.609 960 HE2 TYR 32 2HE TYR 32 12.906 16.012 9.665 961 HH TYR 32 HH TYR 32 13.753 14.158 6.762 962 H ASN 33 H ASN 33 9.804 11.144 14.448 963 HA ASN 33 HA ASN 33 9.752 8.266 13.827 964 1HB ASN 33 2HB ASN 33 8.638 8.259 16.227 965 2HB ASN 33 1HB ASN 33 10.389 8.285 16.040 966 1HD2 ASN 33 1HD2 ASN 33 11.247 9.552 17.514 967 2HD2 ASN 33 2HD2 ASN 33 10.654 11.099 17.999 968 H ILE 34 H ILE 34 8.261 10.188 12.351 969 HA ILE 34 HA ILE 34 5.509 9.502 13.166 970 HB ILE 34 HB ILE 34 6.068 11.802 11.347 971 1HG1 ILE 34 2HG1 ILE 34 7.554 12.292 13.161 972 2HG1 ILE 34 1HG1 ILE 34 6.120 13.294 13.361 973 1HG2 ILE 34 1HG2 ILE 34 3.849 10.793 12.988 974 2HG2 ILE 34 2HG2 ILE 34 3.826 11.669 11.457 975 3HG2 ILE 34 3HG2 ILE 34 4.048 12.546 12.971 976 1HD1 ILE 34 1HD1 ILE 34 7.130 12.108 15.408 977 2HD1 ILE 34 2HD1 ILE 34 6.337 10.670 14.764 978 3HD1 ILE 34 3HD1 ILE 34 5.380 12.092 15.185 979 H GLU 35 H GLU 35 4.862 7.847 11.929 980 HA GLU 35 HA GLU 35 5.768 6.726 9.722 981 1HB GLU 35 2HB GLU 35 2.850 7.395 10.141 982 2HB GLU 35 1HB GLU 35 3.453 6.179 9.023 983 1HG GLU 35 2HG GLU 35 3.685 6.160 12.022 984 2HG GLU 35 1HG GLU 35 2.690 5.104 11.022 985 H LYS 36 H LYS 36 3.199 9.158 9.242 986 HA LYS 36 HA LYS 36 3.524 9.564 6.561 987 1HB LYS 36 2HB LYS 36 3.074 12.121 7.804 988 2HB LYS 36 1HB LYS 36 1.956 11.120 6.890 989 1HG LYS 36 2HG LYS 36 1.533 9.823 8.985 990 2HG LYS 36 1HG LYS 36 2.501 11.021 9.847 991 1HD LYS 36 2HD LYS 36 0.948 12.778 8.947 992 2HD LYS 36 1HD LYS 36 -0.075 11.470 8.348 993 1HE LYS 36 2HE LYS 36 -0.596 10.735 10.505 994 2HE LYS 36 1HE LYS 36 0.760 11.601 11.225 995 1HZ LYS 36 1HZ LYS 36 -0.579 13.642 10.242 996 2HZ LYS 36 2HZ LYS 36 -0.904 13.011 11.777 997 3HZ LYS 36 3HZ LYS 36 -1.880 12.582 10.464 998 H ASP 37 H ASP 37 5.276 11.203 9.178 999 HA ASP 37 HA ASP 37 6.788 12.940 7.596 1000 1HB ASP 37 2HB ASP 37 6.535 12.737 10.205 1001 2HB ASP 37 1HB ASP 37 7.968 11.721 10.065 1002 H ILE 38 H ILE 38 7.875 9.861 9.041 1003 HA ILE 38 HA ILE 38 10.317 9.597 7.883 1004 HB ILE 38 HB ILE 38 8.456 7.238 7.977 1005 1HG1 ILE 38 2HG1 ILE 38 9.972 7.881 10.424 1006 2HG1 ILE 38 1HG1 ILE 38 8.639 8.975 10.072 1007 1HG2 ILE 38 1HG2 ILE 38 10.356 5.955 8.264 1008 2HG2 ILE 38 2HG2 ILE 38 11.302 7.309 8.881 1009 3HG2 ILE 38 3HG2 ILE 38 10.920 7.211 7.163 1010 1HD1 ILE 38 1HD1 ILE 38 7.499 6.522 9.688 1011 2HD1 ILE 38 2HD1 ILE 38 7.387 7.491 11.157 1012 3HD1 ILE 38 3HD1 ILE 38 8.609 6.227 11.025 1013 H ALA 39 H ALA 39 7.217 8.651 6.420 1014 HA ALA 39 HA ALA 39 8.207 7.631 4.020 1015 1HB ALA 39 1HB ALA 39 5.904 7.305 4.651 1016 2HB ALA 39 2HB ALA 39 5.961 8.137 3.097 1017 3HB ALA 39 3HB ALA 39 5.595 9.039 4.568 1018 H ALA 40 H ALA 40 6.871 10.896 4.589 1019 HA ALA 40 HA ALA 40 7.419 12.074 2.186 1020 1HB ALA 40 1HB ALA 40 7.595 14.211 3.398 1021 2HB ALA 40 2HB ALA 40 7.725 13.322 4.916 1022 3HB ALA 40 3HB ALA 40 6.242 13.233 3.967 1023 H HIS 41 H HIS 41 9.591 12.233 4.998 1024 HA HIS 41 HA HIS 41 11.790 13.394 3.924 1025 1HB HIS 41 2HB HIS 41 11.980 12.868 6.186 1026 2HB HIS 41 1HB HIS 41 11.476 11.200 5.947 1027 HD1 HIS 41 1HD HIS 41 14.329 12.963 6.900 1028 HD2 HIS 41 2HD HIS 41 13.676 9.880 4.192 1029 HE1 HIS 41 1HE HIS 41 16.570 11.870 6.572 1030 HE2 HIS 41 2HE HIS 41 16.132 9.953 4.997 1031 H ILE 42 H ILE 42 10.997 9.934 3.736 1032 HA ILE 42 HA ILE 42 13.227 9.147 2.222 1033 HB ILE 42 HB ILE 42 10.471 7.908 2.209 1034 1HG1 ILE 42 2HG1 ILE 42 12.760 6.887 3.846 1035 2HG1 ILE 42 1HG1 ILE 42 11.825 8.253 4.448 1036 1HG2 ILE 42 1HG2 ILE 42 11.890 5.825 1.731 1037 2HG2 ILE 42 2HG2 ILE 42 13.158 6.965 1.277 1038 3HG2 ILE 42 3HG2 ILE 42 11.620 6.967 0.414 1039 1HD1 ILE 42 1HD1 ILE 42 10.824 5.491 3.816 1040 2HD1 ILE 42 2HD1 ILE 42 9.776 6.856 4.203 1041 3HD1 ILE 42 3HD1 ILE 42 10.932 6.266 5.397 1042 H LYS 43 H LYS 43 9.880 9.378 1.017 1043 HA LYS 43 HA LYS 43 10.264 9.222 -1.645 1044 1HB LYS 43 2HB LYS 43 8.042 9.460 -0.984 1045 2HB LYS 43 1HB LYS 43 8.375 10.899 -0.031 1046 1HG LYS 43 2HG LYS 43 7.067 11.358 -2.068 1047 2HG LYS 43 1HG LYS 43 8.601 12.230 -2.021 1048 1HD LYS 43 2HD LYS 43 9.423 10.069 -3.332 1049 2HD LYS 43 1HD LYS 43 7.720 10.016 -3.792 1050 1HE LYS 43 2HE LYS 43 9.804 12.048 -4.428 1051 2HE LYS 43 1HE LYS 43 8.592 11.314 -5.477 1052 1HZ LYS 43 1HZ LYS 43 8.151 13.415 -3.428 1053 2HZ LYS 43 2HZ LYS 43 6.898 12.610 -4.229 1054 3HZ LYS 43 3HZ LYS 43 7.983 13.566 -5.105 1055 H LYS 44 H LYS 44 11.223 11.866 0.394 1056 HA LYS 44 HA LYS 44 11.674 13.732 -1.732 1057 1HB LYS 44 2HB LYS 44 11.244 14.666 0.407 1058 2HB LYS 44 1HB LYS 44 12.475 13.669 1.170 1059 1HG LYS 44 2HG LYS 44 13.792 15.453 1.016 1060 2HG LYS 44 1HG LYS 44 13.907 15.075 -0.704 1061 1HD LYS 44 2HD LYS 44 11.591 16.687 0.250 1062 2HD LYS 44 1HD LYS 44 13.169 17.468 0.131 1063 1HE LYS 44 2HE LYS 44 11.840 15.954 -2.112 1064 2HE LYS 44 1HE LYS 44 11.765 17.704 -1.911 1065 1HZ LYS 44 1HZ LYS 44 14.367 17.390 -1.823 1066 2HZ LYS 44 2HZ LYS 44 13.540 17.562 -3.288 1067 3HZ LYS 44 3HZ LYS 44 14.000 16.025 -2.753 1068 H GLU 45 H GLU 45 13.905 12.046 0.462 1069 HA GLU 45 HA GLU 45 16.243 12.677 -0.947 1070 1HB GLU 45 2HB GLU 45 16.173 10.086 0.488 1071 2HB GLU 45 1HB GLU 45 17.327 11.408 0.605 1072 1HG GLU 45 2HG GLU 45 14.670 12.059 1.626 1073 2HG GLU 45 1HG GLU 45 15.475 10.751 2.491 1074 H PHE 46 H PHE 46 13.829 10.250 -1.493 1075 HA PHE 46 HA PHE 46 15.461 8.604 -3.187 1076 1HB PHE 46 2HB PHE 46 12.786 8.511 -2.093 1077 2HB PHE 46 1HB PHE 46 12.768 8.121 -3.811 1078 HD1 PHE 46 1HD PHE 46 14.568 7.269 -0.665 1079 HD2 PHE 46 2HD PHE 46 13.232 5.970 -4.490 1080 HE1 PHE 46 1HE PHE 46 15.335 4.988 -0.154 1081 HE2 PHE 46 2HE PHE 46 13.994 3.686 -3.986 1082 HZ PHE 46 HZ PHE 46 15.049 3.193 -1.815 1083 H ASP 47 H ASP 47 12.878 10.985 -3.719 1084 HA ASP 47 HA ASP 47 12.935 10.862 -6.537 1085 1HB ASP 47 2HB ASP 47 11.669 12.940 -6.483 1086 2HB ASP 47 1HB ASP 47 11.070 11.853 -5.233 1087 H LYS 48 H LYS 48 14.911 12.480 -4.192 1088 HA LYS 48 HA LYS 48 16.147 14.183 -6.195 1089 1HB LYS 48 2HB LYS 48 16.453 15.529 -4.437 1090 2HB LYS 48 1HB LYS 48 15.797 14.300 -3.370 1091 1HG LYS 48 2HG LYS 48 17.776 14.181 -2.386 1092 2HG LYS 48 1HG LYS 48 18.444 13.529 -3.884 1093 1HD LYS 48 2HD LYS 48 18.124 16.417 -3.970 1094 2HD LYS 48 1HD LYS 48 19.178 15.894 -2.654 1095 1HE LYS 48 2HE LYS 48 20.438 14.521 -4.322 1096 2HE LYS 48 1HE LYS 48 19.466 15.268 -5.590 1097 1HZ LYS 48 1HZ LYS 48 21.785 16.257 -4.384 1098 2HZ LYS 48 2HZ LYS 48 20.515 17.294 -3.965 1099 3HZ LYS 48 3HZ LYS 48 20.846 16.979 -5.593 1100 H LYS 49 H LYS 49 16.979 11.428 -4.151 1101 HA LYS 49 HA LYS 49 19.674 11.285 -5.138 1102 1HB LYS 49 2HB LYS 49 18.579 10.432 -2.862 1103 2HB LYS 49 1HB LYS 49 18.406 8.951 -3.794 1104 1HG LYS 49 2HG LYS 49 21.048 10.319 -3.756 1105 2HG LYS 49 1HG LYS 49 20.538 9.399 -2.339 1106 1HD LYS 49 2HD LYS 49 20.216 8.092 -4.977 1107 2HD LYS 49 1HD LYS 49 21.864 8.297 -4.381 1108 1HE LYS 49 2HE LYS 49 19.915 7.275 -2.424 1109 2HE LYS 49 1HE LYS 49 20.281 6.195 -3.770 1110 1HZ LYS 49 1HZ LYS 49 22.440 7.483 -2.220 1111 2HZ LYS 49 2HZ LYS 49 22.510 6.090 -3.179 1112 3HZ LYS 49 3HZ LYS 49 21.720 6.047 -1.684 1113 H TYR 50 H TYR 50 16.615 10.123 -6.157 1114 HA TYR 50 HA TYR 50 17.952 8.467 -8.189 1115 1HB TYR 50 2HB TYR 50 15.237 7.801 -7.064 1116 2HB TYR 50 1HB TYR 50 16.289 6.788 -8.048 1117 HD1 TYR 50 1HD TYR 50 15.682 8.117 -4.681 1118 HD2 TYR 50 2HD TYR 50 18.123 5.566 -7.054 1119 HE1 TYR 50 1HE TYR 50 16.607 7.113 -2.638 1120 HE2 TYR 50 2HE TYR 50 19.055 4.553 -5.017 1121 HH TYR 50 HH TYR 50 18.908 4.423 -2.791 1122 H ASN 51 H ASN 51 14.615 9.547 -7.559 1123 HA ASN 51 HA ASN 51 14.210 11.564 -9.267 1124 1HB ASN 51 2HB ASN 51 15.278 10.322 -11.081 1125 2HB ASN 51 1HB ASN 51 14.145 8.992 -10.865 1126 1HD2 ASN 51 1HD2 ASN 51 12.824 12.089 -10.431 1127 2HD2 ASN 51 2HD2 ASN 51 12.034 12.227 -11.960 1128 HA PRO 52 HA PRO 52 10.300 10.438 -7.347 1129 1HB PRO 52 2HB PRO 52 8.958 12.696 -8.138 1130 2HB PRO 52 1HB PRO 52 10.012 12.618 -6.723 1131 1HG PRO 52 2HG PRO 52 10.607 13.638 -9.473 1132 2HG PRO 52 1HG PRO 52 11.052 14.330 -7.901 1133 1HD PRO 52 2HD PRO 52 12.817 12.943 -9.374 1134 2HD PRO 52 1HD PRO 52 12.803 12.840 -7.600 1135 H THR 53 H THR 53 7.699 9.870 -9.771 1136 HA THR 53 HA THR 53 8.369 10.894 -7.109 1137 HB THR 53 HB THR 53 6.408 11.955 -7.819 1138 HG1 THR 53 1HG THR 53 6.188 10.065 -5.942 1139 1HG2 THR 53 1HG2 THR 53 4.763 11.147 -9.145 1140 2HG2 THR 53 2HG2 THR 53 4.925 9.499 -8.534 1141 3HG2 THR 53 3HG2 THR 53 6.096 10.129 -9.693 1142 H TRP 54 H TRP 54 8.499 9.584 -5.392 1143 HA TRP 54 HA TRP 54 8.056 6.726 -5.861 1144 1HB TRP 54 2HB TRP 54 9.650 8.148 -3.722 1145 2HB TRP 54 1HB TRP 54 9.488 6.401 -3.861 1146 HD1 TRP 54 HD TRP 54 10.792 9.348 -6.028 1147 HE1 TRP 54 1HE TRP 54 12.797 8.495 -7.391 1148 HE3 TRP 54 3HE TRP 54 10.740 4.451 -4.563 1149 HZ2 TRP 54 2HZ TRP 54 14.182 6.062 -7.793 1150 HZ3 TRP 54 3HZ TRP 54 12.438 2.927 -5.483 1151 HH2 TRP 54 HH TRP 54 14.122 3.715 -7.064 1152 H HIS 55 H HIS 55 6.024 6.172 -5.329 1153 HA HIS 55 HA HIS 55 4.540 7.412 -3.234 1154 1HB HIS 55 2HB HIS 55 3.959 4.684 -4.388 1155 2HB HIS 55 1HB HIS 55 2.819 5.849 -3.725 1156 HD1 HIS 55 1HD HIS 55 2.862 8.235 -5.238 1157 HD2 HIS 55 2HD HIS 55 3.910 4.661 -7.081 1158 HE1 HIS 55 1HE HIS 55 2.576 8.641 -7.704 1159 HE2 HIS 55 2HE HIS 55 3.263 6.480 -8.803 1160 H CYS 56 H CYS 56 5.783 7.288 -1.369 1161 HA CYS 56 HA CYS 56 6.421 4.600 -0.382 1162 1HB CYS 56 2HB CYS 56 7.916 5.782 1.213 1163 2HB CYS 56 1HB CYS 56 8.323 6.069 -0.475 1164 HG CYS 56 HG CYS 56 6.970 8.189 1.355 1165 H ILE 57 H ILE 57 5.277 3.707 1.153 1166 HA ILE 57 HA ILE 57 3.697 5.430 2.961 1167 HB ILE 57 HB ILE 57 3.010 2.584 2.220 1168 1HG1 ILE 57 2HG1 ILE 57 2.719 3.817 0.204 1169 2HG1 ILE 57 1HG1 ILE 57 1.119 3.656 0.919 1170 1HG2 ILE 57 1HG2 ILE 57 1.486 4.735 3.685 1171 2HG2 ILE 57 2HG2 ILE 57 2.151 3.252 4.369 1172 3HG2 ILE 57 3HG2 ILE 57 0.821 3.171 3.215 1173 1HD1 ILE 57 1HD1 ILE 57 0.865 5.845 0.832 1174 2HD1 ILE 57 2HD1 ILE 57 2.474 6.004 0.129 1175 3HD1 ILE 57 3HD1 ILE 57 2.267 6.061 1.878 1176 H VAL 58 H VAL 58 4.773 5.494 4.854 1177 HA VAL 58 HA VAL 58 5.976 2.994 5.844 1178 HB VAL 58 HB VAL 58 7.694 4.609 5.635 1179 1HG1 VAL 58 1HG1 VAL 58 6.293 6.603 7.352 1180 2HG1 VAL 58 2HG1 VAL 58 5.912 6.513 5.633 1181 3HG1 VAL 58 3HG1 VAL 58 7.564 6.844 6.153 1182 1HG2 VAL 58 1HG2 VAL 58 8.575 4.162 7.633 1183 2HG2 VAL 58 2HG2 VAL 58 7.003 3.506 8.089 1184 3HG2 VAL 58 3HG2 VAL 58 7.398 5.184 8.456 1185 H GLY 59 H GLY 59 4.975 2.021 7.461 1186 1HA GLY 59 2HA GLY 59 3.556 3.665 9.442 1187 2HA GLY 59 1HA GLY 59 2.736 2.302 8.694 1188 H ARG 60 H ARG 60 2.523 0.882 10.331 1189 HA ARG 60 HA ARG 60 4.867 -0.440 11.297 1190 1HB ARG 60 2HB ARG 60 4.084 -0.009 13.733 1191 2HB ARG 60 1HB ARG 60 5.055 1.203 12.909 1192 1HG ARG 60 2HG ARG 60 2.766 2.223 12.251 1193 2HG ARG 60 1HG ARG 60 2.150 1.255 13.591 1194 1HD ARG 60 2HD ARG 60 4.573 2.799 14.195 1195 2HD ARG 60 1HD ARG 60 3.150 3.773 13.824 1196 HE ARG 60 HE ARG 60 2.905 1.643 15.814 1197 1HH1 ARG 60 1HH1 ARG 60 3.049 5.039 15.054 1198 2HH1 ARG 60 2HH1 ARG 60 2.445 5.542 16.596 1199 1HH2 ARG 60 1HH2 ARG 60 2.112 2.294 17.849 1200 2HH2 ARG 60 2HH2 ARG 60 1.912 3.982 18.187 1201 H ASN 61 H ASN 61 1.834 -0.522 10.249 1202 HA ASN 61 HA ASN 61 1.351 -3.191 10.675 1203 1HB ASN 61 2HB ASN 61 0.760 -1.626 13.031 1204 2HB ASN 61 1HB ASN 61 -0.702 -2.391 12.417 1205 1HD2 ASN 61 1HD2 ASN 61 -1.066 -4.418 12.969 1206 2HD2 ASN 61 2HD2 ASN 61 0.096 -5.506 13.639 1207 H PHE 62 H PHE 62 0.960 -1.018 8.782 1208 HA PHE 62 HA PHE 62 -1.921 -0.775 8.503 1209 1HB PHE 62 2HB PHE 62 -1.469 0.790 6.777 1210 2HB PHE 62 1HB PHE 62 -0.272 1.099 8.031 1211 HD1 PHE 62 1HD PHE 62 1.643 -1.099 7.497 1212 HD2 PHE 62 2HD PHE 62 -0.411 1.509 4.837 1213 HE1 PHE 62 1HE PHE 62 3.440 -1.378 5.840 1214 HE2 PHE 62 2HE PHE 62 1.381 1.237 3.175 1215 HZ PHE 62 HZ PHE 62 3.312 -0.209 3.676 1216 H GLY 63 H GLY 63 -2.327 -0.806 5.840 1217 1HA GLY 63 2HA GLY 63 -1.410 -3.425 4.870 1218 2HA GLY 63 1HA GLY 63 -3.136 -3.110 4.975 1219 H SER 64 H SER 64 -0.135 -1.942 3.502 1220 HA SER 64 HA SER 64 -1.420 -0.232 1.637 1221 1HB SER 64 2HB SER 64 0.848 -0.373 0.450 1222 2HB SER 64 1HB SER 64 0.844 0.267 2.092 1223 HG SER 64 HG SER 64 2.449 -1.213 2.076 1224 H TYR 65 H TYR 65 -2.080 -0.553 -0.411 1225 HA TYR 65 HA TYR 65 -1.578 -3.102 -1.731 1226 1HB TYR 65 2HB TYR 65 -3.675 -3.401 -0.414 1227 2HB TYR 65 1HB TYR 65 -4.386 -2.057 -1.301 1228 HD1 TYR 65 1HD TYR 65 -5.307 -2.370 -3.464 1229 HD2 TYR 65 2HD TYR 65 -3.073 -5.499 -1.640 1230 HE1 TYR 65 1HE TYR 65 -6.066 -3.923 -5.213 1231 HE2 TYR 65 2HE TYR 65 -3.825 -7.060 -3.386 1232 HH TYR 65 HH TYR 65 -6.335 -6.680 -5.238 1233 H VAL 66 H VAL 66 -0.371 -1.894 -3.214 1234 HA VAL 66 HA VAL 66 -1.984 -0.198 -5.003 1235 HB VAL 66 HB VAL 66 -0.116 1.238 -5.407 1236 1HG1 VAL 66 1HG1 VAL 66 -0.643 0.704 -2.498 1237 2HG1 VAL 66 2HG1 VAL 66 -1.316 1.971 -3.526 1238 3HG1 VAL 66 3HG1 VAL 66 0.378 2.038 -3.037 1239 1HG2 VAL 66 1HG2 VAL 66 1.583 -0.623 -5.230 1240 2HG2 VAL 66 2HG2 VAL 66 1.534 -0.385 -3.482 1241 3HG2 VAL 66 3HG2 VAL 66 2.067 0.926 -4.536 1242 H THR 67 H THR 67 -1.617 -0.380 -7.199 1243 HA THR 67 HA THR 67 -0.518 -2.899 -8.060 1244 HB THR 67 HB THR 67 -2.427 -2.394 -9.260 1245 HG1 THR 67 1HG THR 67 -1.529 -1.375 -11.344 1246 1HG2 THR 67 1HG2 THR 67 -3.019 -0.253 -10.182 1247 2HG2 THR 67 2HG2 THR 67 -1.491 0.436 -9.635 1248 3HG2 THR 67 3HG2 THR 67 -2.692 -0.095 -8.457 1249 H HIS 68 H HIS 68 1.670 -2.215 -7.232 1250 HA HIS 68 HA HIS 68 3.232 -0.221 -8.308 1251 1HB HIS 68 2HB HIS 68 5.165 -1.538 -7.663 1252 2HB HIS 68 1HB HIS 68 3.913 -1.693 -6.436 1253 HD1 HIS 68 1HD HIS 68 2.234 -3.897 -7.932 1254 HD2 HIS 68 2HD HIS 68 6.338 -3.998 -7.289 1255 HE1 HIS 68 1HE HIS 68 2.870 -6.328 -8.031 1256 HE2 HIS 68 2HE HIS 68 5.359 -6.367 -7.632 1257 H GLU 69 H GLU 69 5.004 -0.361 -9.873 1258 HA GLU 69 HA GLU 69 4.839 -2.358 -11.948 1259 1HB GLU 69 2HB GLU 69 4.642 -0.249 -13.609 1260 2HB GLU 69 1HB GLU 69 3.256 -1.195 -13.083 1261 1HG GLU 69 2HG GLU 69 2.742 0.420 -11.375 1262 2HG GLU 69 1HG GLU 69 4.202 1.333 -11.753 1263 H THR 70 H THR 70 6.005 -0.314 -13.848 1264 HA THR 70 HA THR 70 8.161 0.025 -14.572 1265 HB THR 70 HB THR 70 8.134 2.139 -13.748 1266 HG1 THR 70 1HG THR 70 10.146 0.736 -12.703 1267 1HG2 THR 70 1HG2 THR 70 7.766 2.747 -11.386 1268 2HG2 THR 70 2HG2 THR 70 7.560 1.035 -11.010 1269 3HG2 THR 70 3HG2 THR 70 6.427 1.843 -12.094 1270 H LYS 71 H LYS 71 9.191 0.102 -11.230 1271 HA LYS 71 HA LYS 71 9.990 -2.415 -10.660 1272 1HB LYS 71 2HB LYS 71 12.387 -2.465 -11.466 1273 2HB LYS 71 1HB LYS 71 11.161 -2.701 -12.704 1274 1HG LYS 71 2HG LYS 71 11.680 -0.789 -13.776 1275 2HG LYS 71 1HG LYS 71 12.037 0.079 -12.281 1276 1HD LYS 71 2HD LYS 71 14.104 -1.521 -12.192 1277 2HD LYS 71 1HD LYS 71 13.802 -1.685 -13.924 1278 1HE LYS 71 2HE LYS 71 13.861 1.052 -12.768 1279 2HE LYS 71 1HE LYS 71 15.393 0.196 -12.945 1280 1HZ LYS 71 1HZ LYS 71 14.598 -0.224 -15.325 1281 2HZ LYS 71 2HZ LYS 71 15.151 1.327 -14.938 1282 3HZ LYS 71 3HZ LYS 71 13.490 1.024 -15.044 1283 H HIS 72 H HIS 72 9.602 0.447 -9.752 1284 HA HIS 72 HA HIS 72 11.943 0.606 -7.969 1285 1HB HIS 72 2HB HIS 72 10.149 2.798 -9.020 1286 2HB HIS 72 1HB HIS 72 11.323 3.038 -7.730 1287 HD1 HIS 72 1HD HIS 72 11.006 3.512 -11.213 1288 HD2 HIS 72 2HD HIS 72 14.054 2.117 -8.757 1289 HE1 HIS 72 1HE HIS 72 13.117 3.754 -12.557 1290 HE2 HIS 72 2HE HIS 72 14.957 2.977 -11.023 1291 H PHE 73 H PHE 73 10.134 -1.154 -7.152 1292 HA PHE 73 HA PHE 73 8.698 0.263 -5.005 1293 1HB PHE 73 2HB PHE 73 6.910 -0.450 -6.306 1294 2HB PHE 73 1HB PHE 73 7.744 -1.905 -6.839 1295 HD1 PHE 73 1HD PHE 73 6.231 -0.347 -3.818 1296 HD2 PHE 73 2HD PHE 73 7.248 -3.941 -5.858 1297 HE1 PHE 73 1HE PHE 73 5.028 -1.651 -2.114 1298 HE2 PHE 73 2HE PHE 73 6.047 -5.251 -4.157 1299 HZ PHE 73 HZ PHE 73 4.934 -4.105 -2.281 1300 H ILE 74 H ILE 74 9.346 -0.323 -3.037 1301 HA ILE 74 HA ILE 74 10.359 -3.048 -2.641 1302 HB ILE 74 HB ILE 74 12.296 -1.527 -2.879 1303 1HG1 ILE 74 2HG1 ILE 74 11.651 -3.158 -0.499 1304 2HG1 ILE 74 1HG1 ILE 74 12.990 -3.297 -1.625 1305 1HG2 ILE 74 1HG2 ILE 74 10.725 0.036 -0.971 1306 2HG2 ILE 74 2HG2 ILE 74 11.974 0.551 -2.105 1307 3HG2 ILE 74 3HG2 ILE 74 12.428 -0.114 -0.537 1308 1HD1 ILE 74 1HD1 ILE 74 13.532 -0.993 -0.172 1309 2HD1 ILE 74 2HD1 ILE 74 14.292 -2.573 0.011 1310 3HD1 ILE 74 3HD1 ILE 74 12.904 -2.143 1.010 1311 H TYR 75 H TYR 75 9.189 -3.995 -1.132 1312 HA TYR 75 HA TYR 75 7.964 -2.348 0.971 1313 1HB TYR 75 2HB TYR 75 6.671 -4.044 -0.605 1314 2HB TYR 75 1HB TYR 75 7.247 -5.224 0.568 1315 HD1 TYR 75 1HD TYR 75 7.096 -3.398 3.012 1316 HD2 TYR 75 2HD TYR 75 4.346 -4.182 -0.139 1317 HE1 TYR 75 1HE TYR 75 5.228 -2.824 4.507 1318 HE2 TYR 75 2HE TYR 75 2.472 -3.611 1.346 1319 HH TYR 75 HH TYR 75 2.421 -3.644 4.340 1320 H PHE 76 H PHE 76 8.499 -2.630 3.064 1321 HA PHE 76 HA PHE 76 9.770 -4.998 4.042 1322 1HB PHE 76 2HB PHE 76 11.824 -3.649 4.847 1323 2HB PHE 76 1HB PHE 76 11.794 -4.212 3.181 1324 HD1 PHE 76 1HD PHE 76 12.512 -1.506 5.218 1325 HD2 PHE 76 2HD PHE 76 10.654 -2.454 1.509 1326 HE1 PHE 76 1HE PHE 76 12.884 0.799 4.447 1327 HE2 PHE 76 2HE PHE 76 11.022 -0.148 0.731 1328 HZ PHE 76 HZ PHE 76 12.139 1.481 2.201 1329 H TYR 77 H TYR 77 10.474 -4.681 6.376 1330 HA TYR 77 HA TYR 77 8.889 -2.603 7.708 1331 1HB TYR 77 2HB TYR 77 7.450 -4.488 7.826 1332 2HB TYR 77 1HB TYR 77 8.780 -5.573 8.213 1333 HD1 TYR 77 1HD TYR 77 9.557 -5.823 10.468 1334 HD2 TYR 77 2HD TYR 77 6.564 -2.948 9.535 1335 HE1 TYR 77 1HE TYR 77 9.083 -5.547 12.865 1336 HE2 TYR 77 2HE TYR 77 6.083 -2.662 11.930 1337 HH TYR 77 HH TYR 77 7.449 -3.019 14.139 1338 H LEU 78 H LEU 78 10.226 -1.458 8.916 1339 HA LEU 78 HA LEU 78 12.823 -2.327 9.653 1340 1HB LEU 78 2HB LEU 78 11.130 0.044 10.396 1341 2HB LEU 78 1HB LEU 78 12.700 -0.213 11.127 1342 HG LEU 78 HG LEU 78 12.424 1.364 9.051 1343 1HD1 LEU 78 1HD1 LEU 78 14.562 1.265 9.783 1344 2HD1 LEU 78 2HD1 LEU 78 14.758 0.376 8.273 1345 3HD1 LEU 78 3HD1 LEU 78 14.598 -0.497 9.797 1346 1HD2 LEU 78 1HD2 LEU 78 11.981 -1.275 7.901 1347 2HD2 LEU 78 2HD2 LEU 78 13.293 -0.391 7.119 1348 3HD2 LEU 78 3HD2 LEU 78 11.684 0.324 7.220 1349 H GLY 79 H GLY 79 13.575 -2.129 12.002 1350 1HA GLY 79 2HA GLY 79 12.831 -4.172 13.548 1351 2HA GLY 79 1HA GLY 79 13.356 -2.653 14.258 1352 H GLN 80 H GLN 80 11.067 -1.124 13.375 1353 HA GLN 80 HA GLN 80 8.742 -2.414 14.518 1354 1HB GLN 80 2HB GLN 80 8.450 -0.527 16.193 1355 2HB GLN 80 1HB GLN 80 9.686 -1.720 16.572 1356 1HG GLN 80 2HG GLN 80 11.173 0.074 15.240 1357 2HG GLN 80 1HG GLN 80 9.943 1.139 15.918 1358 1HE2 GLN 80 1HE2 GLN 80 9.508 -0.482 18.264 1359 2HE2 GLN 80 2HE2 GLN 80 10.884 -0.258 19.285 1360 H VAL 81 H VAL 81 9.418 -1.280 11.964 1361 HA VAL 81 HA VAL 81 7.150 0.501 11.680 1362 HB VAL 81 HB VAL 81 9.954 1.374 10.978 1363 1HG1 VAL 81 1HG1 VAL 81 8.886 3.366 9.950 1364 2HG1 VAL 81 2HG1 VAL 81 7.325 2.559 10.095 1365 3HG1 VAL 81 3HG1 VAL 81 8.581 1.871 9.068 1366 1HG2 VAL 81 1HG2 VAL 81 9.236 1.840 13.267 1367 2HG2 VAL 81 2HG2 VAL 81 7.800 2.659 12.655 1368 3HG2 VAL 81 3HG2 VAL 81 9.400 3.329 12.336 1369 H ALA 82 H ALA 82 6.791 1.013 9.290 1370 HA ALA 82 HA ALA 82 7.824 -1.154 7.591 1371 1HB ALA 82 1HB ALA 82 5.776 -1.909 6.974 1372 2HB ALA 82 2HB ALA 82 5.012 -0.332 7.171 1373 3HB ALA 82 3HB ALA 82 5.359 -1.326 8.585 1374 H ILE 83 H ILE 83 7.860 -0.715 5.340 1375 HA ILE 83 HA ILE 83 7.321 2.045 4.533 1376 HB ILE 83 HB ILE 83 9.845 1.037 3.440 1377 1HG1 ILE 83 2HG1 ILE 83 9.937 0.217 5.819 1378 2HG1 ILE 83 1HG1 ILE 83 11.200 1.367 5.394 1379 1HG2 ILE 83 1HG2 ILE 83 9.592 3.620 4.874 1380 2HG2 ILE 83 2HG2 ILE 83 8.619 3.391 3.421 1381 3HG2 ILE 83 3HG2 ILE 83 10.374 3.246 3.338 1382 1HD1 ILE 83 1HD1 ILE 83 9.555 1.489 7.590 1383 2HD1 ILE 83 2HD1 ILE 83 8.844 2.661 6.481 1384 3HD1 ILE 83 3HD1 ILE 83 10.538 2.805 6.949 1385 H LEU 84 H LEU 84 6.262 2.080 2.687 1386 HA LEU 84 HA LEU 84 6.555 -0.183 0.824 1387 1HB LEU 84 2HB LEU 84 4.369 -0.387 1.532 1388 2HB LEU 84 1HB LEU 84 4.167 1.339 1.757 1389 HG LEU 84 HG LEU 84 4.461 1.226 -0.938 1390 1HD1 LEU 84 1HD1 LEU 84 3.989 -0.754 -1.825 1391 2HD1 LEU 84 2HD1 LEU 84 2.553 -0.926 -0.815 1392 3HD1 LEU 84 3HD1 LEU 84 4.125 -1.445 -0.209 1393 1HD2 LEU 84 1HD2 LEU 84 1.720 0.705 -0.019 1394 2HD2 LEU 84 2HD2 LEU 84 2.376 2.066 -0.930 1395 3HD2 LEU 84 3HD2 LEU 84 2.556 2.010 0.824 1396 H LEU 85 H LEU 85 8.176 0.795 -0.400 1397 HA LEU 85 HA LEU 85 7.631 3.401 -1.597 1398 1HB LEU 85 2HB LEU 85 9.980 1.934 -0.878 1399 2HB LEU 85 1HB LEU 85 10.042 2.303 -2.590 1400 HG LEU 85 HG LEU 85 9.544 4.720 -1.929 1401 1HD1 LEU 85 1HD1 LEU 85 10.624 3.926 0.743 1402 2HD1 LEU 85 2HD1 LEU 85 8.887 3.920 0.437 1403 3HD1 LEU 85 3HD1 LEU 85 9.808 5.414 0.264 1404 1HD2 LEU 85 1HD2 LEU 85 11.922 5.124 -1.320 1405 2HD2 LEU 85 2HD2 LEU 85 11.713 4.071 -2.720 1406 3HD2 LEU 85 3HD2 LEU 85 12.129 3.380 -1.152 1407 H PHE 86 H PHE 86 6.991 3.693 -3.633 1408 HA PHE 86 HA PHE 86 7.615 1.914 -5.754 1409 1HB PHE 86 2HB PHE 86 5.565 0.861 -6.198 1410 2HB PHE 86 1HB PHE 86 5.782 0.678 -4.461 1411 HD1 PHE 86 1HD PHE 86 3.829 2.245 -7.101 1412 HD2 PHE 86 2HD PHE 86 4.400 1.925 -2.897 1413 HE1 PHE 86 1HE PHE 86 1.625 3.272 -6.728 1414 HE2 PHE 86 2HE PHE 86 2.197 2.950 -2.515 1415 HZ PHE 86 HZ PHE 86 0.807 3.625 -4.433 1416 H LYS 87 H LYS 87 7.519 2.951 -7.640 1417 HA LYS 87 HA LYS 87 6.130 5.547 -7.715 1418 1HB LYS 87 2HB LYS 87 8.251 4.749 -9.677 1419 2HB LYS 87 1HB LYS 87 7.778 6.357 -9.148 1420 1HG LYS 87 2HG LYS 87 8.949 6.165 -7.132 1421 2HG LYS 87 1HG LYS 87 9.087 4.411 -7.281 1422 1HD LYS 87 2HD LYS 87 11.223 5.368 -7.786 1423 2HD LYS 87 1HD LYS 87 10.525 4.772 -9.293 1424 1HE LYS 87 2HE LYS 87 11.619 7.191 -9.077 1425 2HE LYS 87 1HE LYS 87 10.267 6.854 -10.157 1426 1HZ LYS 87 1HZ LYS 87 9.261 7.465 -7.608 1427 2HZ LYS 87 2HZ LYS 87 9.055 8.320 -9.053 1428 3HZ LYS 87 3HZ LYS 87 10.366 8.672 -8.044 1429 H SER 88 H SER 88 5.499 6.201 -10.024 1430 HA SER 88 HA SER 88 4.316 3.883 -11.402 1431 1HB SER 88 2HB SER 88 2.983 6.046 -10.171 1432 2HB SER 88 1HB SER 88 2.830 6.285 -11.912 1433 HG SER 88 HG SER 88 2.010 4.150 -12.049 1434 H GLY 89 H GLY 89 6.787 5.550 -11.777 1435 1HA GLY 89 2HA GLY 89 6.594 7.177 -14.041 1436 2HA GLY 89 1HA GLY 89 8.044 6.316 -13.544 Start of MODEL 18 1 1H MET 1 1HT MET 1 -26.159 1.815 6.934 2 2H MET 1 2HT MET 1 -25.119 2.846 7.829 3 3H MET 1 3HT MET 1 -26.338 1.944 8.634 4 HA MET 1 HA MET 1 -24.419 0.807 9.062 5 1HB MET 1 2HB MET 1 -25.350 -0.628 6.602 6 2HB MET 1 1HB MET 1 -24.945 -1.283 8.183 7 1HG MET 1 2HG MET 1 -27.061 0.251 8.829 8 2HG MET 1 1HG MET 1 -27.483 -0.192 7.174 9 1HE MET 1 1HE MET 1 -26.975 -2.099 10.949 10 2HE MET 1 2HE MET 1 -25.567 -1.649 9.986 11 3HE MET 1 3HE MET 1 -26.068 -3.337 10.081 12 H CYS 2 H CYS 2 -24.434 2.318 5.983 13 HA CYS 2 HA CYS 2 -21.550 1.930 5.776 14 1HB CYS 2 2HB CYS 2 -22.395 1.751 3.124 15 2HB CYS 2 1HB CYS 2 -21.726 0.452 4.104 16 HG CYS 2 HG CYS 2 -24.561 0.621 3.127 17 H ASP 3 H ASP 3 -21.462 4.136 6.395 18 HA ASP 3 HA ASP 3 -22.324 6.002 4.285 19 1HB ASP 3 2HB ASP 3 -22.360 6.225 7.261 20 2HB ASP 3 1HB ASP 3 -22.074 7.685 6.320 21 H ARG 4 H ARG 4 -20.704 7.940 6.188 22 HA ARG 4 HA ARG 4 -18.072 7.306 5.023 23 1HB ARG 4 2HB ARG 4 -17.956 9.996 5.282 24 2HB ARG 4 1HB ARG 4 -18.434 9.174 3.805 25 1HG ARG 4 2HG ARG 4 -20.712 9.472 5.504 26 2HG ARG 4 1HG ARG 4 -19.908 11.030 5.307 27 1HD ARG 4 2HD ARG 4 -19.894 10.567 2.824 28 2HD ARG 4 1HD ARG 4 -20.958 9.203 3.157 29 HE ARG 4 HE ARG 4 -21.623 12.040 3.431 30 1HH1 ARG 4 1HH1 ARG 4 -22.569 8.695 3.626 31 2HH1 ARG 4 2HH1 ARG 4 -24.267 9.040 3.646 32 1HH2 ARG 4 1HH2 ARG 4 -23.860 12.508 3.461 33 2HH2 ARG 4 2HH2 ARG 4 -25.000 11.207 3.551 34 H LYS 5 H LYS 5 -17.919 6.209 7.201 35 HA LYS 5 HA LYS 5 -17.571 7.977 9.471 36 1HB LYS 5 2HB LYS 5 -18.579 5.748 9.769 37 2HB LYS 5 1HB LYS 5 -17.085 5.003 9.219 38 1HG LYS 5 2HG LYS 5 -17.170 4.890 11.606 39 2HG LYS 5 1HG LYS 5 -15.916 6.042 11.142 40 1HD LYS 5 2HD LYS 5 -17.232 7.889 11.749 41 2HD LYS 5 1HD LYS 5 -18.712 6.928 11.785 42 1HE LYS 5 2HE LYS 5 -16.402 6.528 13.677 43 2HE LYS 5 1HE LYS 5 -17.799 7.543 14.035 44 1HZ LYS 5 1HZ LYS 5 -17.555 4.806 14.411 45 2HZ LYS 5 2HZ LYS 5 -18.662 5.008 13.149 46 3HZ LYS 5 3HZ LYS 5 -18.934 5.758 14.640 47 H ALA 6 H ALA 6 -15.849 8.694 7.465 48 HA ALA 6 HA ALA 6 -13.245 7.899 8.582 49 1HB ALA 6 1HB ALA 6 -13.704 8.552 5.682 50 2HB ALA 6 2HB ALA 6 -13.697 6.909 6.323 51 3HB ALA 6 3HB ALA 6 -12.244 7.904 6.428 52 H VAL 7 H VAL 7 -11.504 9.514 7.820 53 HA VAL 7 HA VAL 7 -12.559 12.258 7.849 54 HB VAL 7 HB VAL 7 -10.196 11.340 9.492 55 1HG1 VAL 7 1HG1 VAL 7 -11.569 13.913 9.986 56 2HG1 VAL 7 2HG1 VAL 7 -10.588 13.802 8.525 57 3HG1 VAL 7 3HG1 VAL 7 -9.860 13.497 10.103 58 1HG2 VAL 7 1HG2 VAL 7 -11.820 12.017 11.400 59 2HG2 VAL 7 2HG2 VAL 7 -11.974 10.426 10.656 60 3HG2 VAL 7 3HG2 VAL 7 -13.076 11.724 10.197 61 H ILE 8 H ILE 8 -12.086 12.186 5.555 62 HA ILE 8 HA ILE 8 -9.674 11.564 4.382 63 HB ILE 8 HB ILE 8 -11.861 13.460 3.657 64 1HG1 ILE 8 2HG1 ILE 8 -11.375 11.940 1.483 65 2HG1 ILE 8 1HG1 ILE 8 -10.722 10.885 2.732 66 1HG2 ILE 8 1HG2 ILE 8 -9.849 14.717 3.053 67 2HG2 ILE 8 2HG2 ILE 8 -10.718 14.164 1.620 68 3HG2 ILE 8 3HG2 ILE 8 -9.255 13.328 2.142 69 1HD1 ILE 8 1HD1 ILE 8 -13.528 11.922 2.475 70 2HD1 ILE 8 2HD1 ILE 8 -12.919 11.117 3.922 71 3HD1 ILE 8 3HD1 ILE 8 -12.968 10.252 2.386 72 H LYS 9 H LYS 9 -7.855 12.773 3.771 73 HA LYS 9 HA LYS 9 -7.406 15.410 4.836 74 1HB LYS 9 2HB LYS 9 -5.301 13.636 5.832 75 2HB LYS 9 1HB LYS 9 -6.130 14.959 6.638 76 1HG LYS 9 2HG LYS 9 -7.936 12.767 6.351 77 2HG LYS 9 1HG LYS 9 -6.430 12.193 7.066 78 1HD LYS 9 2HD LYS 9 -6.664 14.279 8.596 79 2HD LYS 9 1HD LYS 9 -8.355 14.244 8.090 80 1HE LYS 9 2HE LYS 9 -8.798 12.572 9.488 81 2HE LYS 9 1HE LYS 9 -7.478 11.609 8.826 82 1HZ LYS 9 1HZ LYS 9 -6.665 11.848 10.892 83 2HZ LYS 9 2HZ LYS 9 -7.554 13.249 11.218 84 3HZ LYS 9 3HZ LYS 9 -6.125 13.346 10.317 85 H ASN 10 H ASN 10 -6.982 13.133 2.569 86 HA ASN 10 HA ASN 10 -4.958 14.642 1.197 87 1HB ASN 10 2HB ASN 10 -3.998 12.637 2.814 88 2HB ASN 10 1HB ASN 10 -4.156 11.818 1.263 89 1HD2 ASN 10 1HD2 ASN 10 -3.770 14.897 0.417 90 2HD2 ASN 10 2HD2 ASN 10 -2.051 14.979 0.273 91 H ALA 11 H ALA 11 -6.926 14.813 -0.108 92 HA ALA 11 HA ALA 11 -7.349 12.422 -1.777 93 1HB ALA 11 1HB ALA 11 -9.607 13.565 -2.271 94 2HB ALA 11 2HB ALA 11 -9.272 14.504 -0.817 95 3HB ALA 11 3HB ALA 11 -9.390 12.747 -0.723 96 H ASP 12 H ASP 12 -8.366 13.077 -3.950 97 HA ASP 12 HA ASP 12 -7.759 15.543 -5.159 98 1HB ASP 12 2HB ASP 12 -5.588 13.580 -5.065 99 2HB ASP 12 1HB ASP 12 -5.990 14.076 -6.706 100 H MET 13 H MET 13 -9.761 13.449 -4.911 101 HA MET 13 HA MET 13 -10.189 12.843 -7.762 102 1HB MET 13 2HB MET 13 -9.809 10.737 -6.802 103 2HB MET 13 1HB MET 13 -10.645 11.161 -5.315 104 1HG MET 13 2HG MET 13 -12.727 10.798 -6.219 105 2HG MET 13 1HG MET 13 -12.166 11.034 -7.875 106 1HE MET 13 1HE MET 13 -10.403 7.744 -5.462 107 2HE MET 13 2HE MET 13 -12.106 7.770 -5.002 108 3HE MET 13 3HE MET 13 -11.127 9.229 -4.845 109 H SER 14 H SER 14 -12.604 12.380 -8.176 110 HA SER 14 HA SER 14 -14.086 14.674 -7.717 111 1HB SER 14 2HB SER 14 -14.518 12.112 -8.959 112 2HB SER 14 1HB SER 14 -15.953 12.581 -8.048 113 HG SER 14 HG SER 14 -15.670 13.350 -10.337 114 H GLU 15 H GLU 15 -15.533 15.335 -6.200 115 HA GLU 15 HA GLU 15 -15.335 14.629 -3.584 116 1HB GLU 15 2HB GLU 15 -17.939 15.496 -4.841 117 2HB GLU 15 1HB GLU 15 -17.418 15.758 -3.183 118 1HG GLU 15 2HG GLU 15 -15.452 17.051 -4.313 119 2HG GLU 15 1HG GLU 15 -16.562 17.135 -5.680 120 H GLU 16 H GLU 16 -18.157 13.643 -5.533 121 HA GLU 16 HA GLU 16 -19.231 11.806 -3.807 122 1HB GLU 16 2HB GLU 16 -19.389 12.325 -6.675 123 2HB GLU 16 1HB GLU 16 -19.654 10.632 -6.280 124 1HG GLU 16 2HG GLU 16 -21.134 12.209 -4.443 125 2HG GLU 16 1HG GLU 16 -21.456 12.804 -6.071 126 H MET 17 H MET 17 -16.502 11.400 -5.971 127 HA MET 17 HA MET 17 -16.297 8.581 -5.719 128 1HB MET 17 2HB MET 17 -14.444 10.751 -6.645 129 2HB MET 17 1HB MET 17 -13.844 9.113 -6.431 130 1HG MET 17 2HG MET 17 -15.871 10.137 -8.372 131 2HG MET 17 1HG MET 17 -14.403 9.209 -8.675 132 1HE MET 17 1HE MET 17 -14.198 7.158 -6.904 133 2HE MET 17 2HE MET 17 -14.532 6.150 -8.312 134 3HE MET 17 3HE MET 17 -15.428 5.899 -6.813 135 H GLN 18 H GLN 18 -15.182 11.272 -3.807 136 HA GLN 18 HA GLN 18 -13.296 9.773 -2.264 137 1HB GLN 18 2HB GLN 18 -14.559 12.259 -1.203 138 2HB GLN 18 1HB GLN 18 -12.886 11.727 -1.110 139 1HG GLN 18 2HG GLN 18 -14.272 12.797 -3.558 140 2HG GLN 18 1HG GLN 18 -13.112 13.663 -2.550 141 1HE2 GLN 18 1HE2 GLN 18 -11.145 13.728 -3.344 142 2HE2 GLN 18 2HE2 GLN 18 -10.411 12.537 -4.357 143 H GLN 19 H GLN 19 -16.670 10.710 -1.888 144 HA GLN 19 HA GLN 19 -16.910 9.628 0.757 145 1HB GLN 19 2HB GLN 19 -18.715 10.876 -1.234 146 2HB GLN 19 1HB GLN 19 -19.470 9.739 -0.124 147 1HG GLN 19 2HG GLN 19 -19.053 11.046 1.718 148 2HG GLN 19 1HG GLN 19 -17.693 11.871 0.958 149 1HE2 GLN 19 1HE2 GLN 19 -18.119 13.931 0.684 150 2HE2 GLN 19 2HE2 GLN 19 -19.629 14.606 0.187 151 H ASP 20 H ASP 20 -17.412 8.534 -2.518 152 HA ASP 20 HA ASP 20 -18.708 6.087 -1.811 153 1HB ASP 20 2HB ASP 20 -18.177 7.496 -4.194 154 2HB ASP 20 1HB ASP 20 -17.343 5.953 -4.353 155 H SER 21 H SER 21 -15.424 7.142 -2.431 156 HA SER 21 HA SER 21 -14.185 4.613 -2.496 157 1HB SER 21 2HB SER 21 -12.118 5.785 -2.221 158 2HB SER 21 1HB SER 21 -13.158 6.837 -3.179 159 HG SER 21 HG SER 21 -13.685 7.526 -0.763 160 H VAL 22 H VAL 22 -14.743 6.926 0.131 161 HA VAL 22 HA VAL 22 -13.508 5.505 2.188 162 HB VAL 22 HB VAL 22 -15.980 7.216 2.476 163 1HG1 VAL 22 1HG1 VAL 22 -14.066 5.986 4.336 164 2HG1 VAL 22 2HG1 VAL 22 -15.740 6.478 4.587 165 3HG1 VAL 22 3HG1 VAL 22 -14.449 7.678 4.658 166 1HG2 VAL 22 1HG2 VAL 22 -14.770 8.920 1.711 167 2HG2 VAL 22 2HG2 VAL 22 -13.321 7.919 1.607 168 3HG2 VAL 22 3HG2 VAL 22 -13.725 8.729 3.120 169 H GLU 23 H GLU 23 -16.918 5.478 1.151 170 HA GLU 23 HA GLU 23 -17.880 3.642 3.005 171 1HB GLU 23 2HB GLU 23 -18.752 3.955 0.124 172 2HB GLU 23 1HB GLU 23 -19.690 3.211 1.412 173 1HG GLU 23 2HG GLU 23 -19.711 5.378 2.597 174 2HG GLU 23 1HG GLU 23 -18.871 6.101 1.226 175 H CYS 24 H CYS 24 -16.227 3.136 -0.060 176 HA CYS 24 HA CYS 24 -16.559 0.323 -0.160 177 1HB CYS 24 2HB CYS 24 -15.626 2.168 -1.914 178 2HB CYS 24 1HB CYS 24 -14.109 1.468 -1.362 179 HG CYS 24 HG CYS 24 -15.708 -0.839 -2.104 180 H ALA 25 H ALA 25 -14.152 2.448 1.274 181 HA ALA 25 HA ALA 25 -12.347 0.362 2.026 182 1HB ALA 25 1HB ALA 25 -12.612 3.107 3.257 183 2HB ALA 25 2HB ALA 25 -11.700 2.772 1.786 184 3HB ALA 25 3HB ALA 25 -11.208 2.041 3.314 185 H THR 26 H THR 26 -15.197 1.819 3.243 186 HA THR 26 HA THR 26 -15.031 0.839 5.922 187 HB THR 26 HB THR 26 -17.541 1.612 4.444 188 HG1 THR 26 1HG THR 26 -16.635 3.478 4.172 189 1HG2 THR 26 1HG2 THR 26 -16.749 1.988 7.314 190 2HG2 THR 26 2HG2 THR 26 -17.833 0.738 6.703 191 3HG2 THR 26 3HG2 THR 26 -18.285 2.438 6.577 192 H GLN 27 H GLN 27 -16.519 -0.183 2.898 193 HA GLN 27 HA GLN 27 -18.024 -2.339 3.822 194 1HB GLN 27 2HB GLN 27 -16.826 -1.547 1.228 195 2HB GLN 27 1HB GLN 27 -17.252 -3.245 1.401 196 1HG GLN 27 2HG GLN 27 -19.403 -1.627 2.356 197 2HG GLN 27 1HG GLN 27 -18.929 -1.089 0.745 198 1HE2 GLN 27 1HE2 GLN 27 -18.447 -3.066 -0.749 199 2HE2 GLN 27 2HE2 GLN 27 -19.683 -4.272 -0.761 200 H ALA 28 H ALA 28 -14.655 -2.148 2.782 201 HA ALA 28 HA ALA 28 -14.116 -4.917 3.333 202 1HB ALA 28 1HB ALA 28 -11.966 -2.848 3.143 203 2HB ALA 28 2HB ALA 28 -12.892 -3.283 1.707 204 3HB ALA 28 3HB ALA 28 -11.971 -4.516 2.569 205 H LEU 29 H LEU 29 -14.173 -1.976 5.101 206 HA LEU 29 HA LEU 29 -12.456 -2.774 7.234 207 1HB LEU 29 2HB LEU 29 -14.368 -0.539 6.766 208 2HB LEU 29 1HB LEU 29 -13.794 -0.844 8.396 209 HG LEU 29 HG LEU 29 -11.803 -0.604 6.189 210 1HD1 LEU 29 1HD1 LEU 29 -12.645 1.397 5.654 211 2HD1 LEU 29 2HD1 LEU 29 -11.874 1.917 7.153 212 3HD1 LEU 29 3HD1 LEU 29 -13.591 1.514 7.138 213 1HD2 LEU 29 1HD2 LEU 29 -10.886 -1.232 8.269 214 2HD2 LEU 29 2HD2 LEU 29 -11.862 -0.053 9.144 215 3HD2 LEU 29 3HD2 LEU 29 -10.548 0.491 8.102 216 H GLU 30 H GLU 30 -15.889 -2.992 6.563 217 HA GLU 30 HA GLU 30 -16.427 -4.092 9.211 218 1HB GLU 30 2HB GLU 30 -18.007 -2.799 7.117 219 2HB GLU 30 1HB GLU 30 -18.789 -4.229 7.778 220 1HG GLU 30 2HG GLU 30 -17.956 -2.966 10.039 221 2HG GLU 30 1HG GLU 30 -18.329 -1.606 8.980 222 H LYS 31 H LYS 31 -15.860 -5.074 5.976 223 HA LYS 31 HA LYS 31 -17.035 -7.710 6.349 224 1HB LYS 31 2HB LYS 31 -15.602 -6.423 4.022 225 2HB LYS 31 1HB LYS 31 -16.172 -8.086 4.010 226 1HG LYS 31 2HG LYS 31 -17.884 -5.630 4.326 227 2HG LYS 31 1HG LYS 31 -17.735 -6.621 2.874 228 1HD LYS 31 2HD LYS 31 -18.606 -8.552 4.156 229 2HD LYS 31 1HD LYS 31 -18.844 -7.487 5.543 230 1HE LYS 31 2HE LYS 31 -20.214 -7.379 2.865 231 2HE LYS 31 1HE LYS 31 -20.942 -7.677 4.443 232 1HZ LYS 31 1HZ LYS 31 -21.158 -5.356 3.412 233 2HZ LYS 31 2HZ LYS 31 -19.549 -5.138 3.888 234 3HZ LYS 31 3HZ LYS 31 -20.735 -5.467 5.047 235 H TYR 32 H TYR 32 -14.105 -6.149 6.918 236 HA TYR 32 HA TYR 32 -12.826 -8.659 7.592 237 1HB TYR 32 2HB TYR 32 -11.176 -6.797 5.932 238 2HB TYR 32 1HB TYR 32 -10.990 -8.528 6.187 239 HD1 TYR 32 1HD TYR 32 -13.215 -6.041 4.533 240 HD2 TYR 32 2HD TYR 32 -11.731 -10.024 4.563 241 HE1 TYR 32 1HE TYR 32 -14.331 -6.459 2.389 242 HE2 TYR 32 2HE TYR 32 -12.845 -10.457 2.416 243 HH TYR 32 HH TYR 32 -14.383 -7.897 0.594 244 H ASN 33 H ASN 33 -10.216 -7.096 7.537 245 HA ASN 33 HA ASN 33 -10.060 -4.843 8.980 246 1HB ASN 33 2HB ASN 33 -11.106 -7.014 10.682 247 2HB ASN 33 1HB ASN 33 -9.763 -6.110 11.375 248 1HD2 ASN 33 1HD2 ASN 33 -10.854 -3.850 9.528 249 2HD2 ASN 33 2HD2 ASN 33 -12.087 -3.134 10.506 250 H ILE 34 H ILE 34 -8.562 -6.586 7.283 251 HA ILE 34 HA ILE 34 -6.159 -7.060 8.922 252 HB ILE 34 HB ILE 34 -6.818 -8.292 6.250 253 1HG1 ILE 34 2HG1 ILE 34 -8.359 -9.183 7.857 254 2HG1 ILE 34 1HG1 ILE 34 -7.114 -10.396 7.583 255 1HG2 ILE 34 1HG2 ILE 34 -4.444 -8.108 6.619 256 2HG2 ILE 34 2HG2 ILE 34 -4.935 -9.794 6.778 257 3HG2 ILE 34 3HG2 ILE 34 -4.605 -8.832 8.219 258 1HD1 ILE 34 1HD1 ILE 34 -7.571 -8.668 9.969 259 2HD1 ILE 34 2HD1 ILE 34 -5.986 -9.376 9.656 260 3HD1 ILE 34 3HD1 ILE 34 -7.393 -10.419 9.872 261 H GLU 35 H GLU 35 -6.790 -4.467 7.976 262 HA GLU 35 HA GLU 35 -6.077 -2.779 6.570 263 1HB GLU 35 2HB GLU 35 -3.435 -4.109 7.195 264 2HB GLU 35 1HB GLU 35 -3.678 -2.427 6.745 265 1HG GLU 35 2HG GLU 35 -3.289 -2.776 9.162 266 2HG GLU 35 1HG GLU 35 -4.813 -1.970 8.793 267 H LYS 36 H LYS 36 -3.433 -4.924 5.668 268 HA LYS 36 HA LYS 36 -3.330 -4.368 3.014 269 1HB LYS 36 2HB LYS 36 -2.802 -7.064 2.981 270 2HB LYS 36 1HB LYS 36 -1.641 -5.806 3.385 271 1HG LYS 36 2HG LYS 36 -1.463 -6.548 5.464 272 2HG LYS 36 1HG LYS 36 -3.213 -6.509 5.688 273 1HD LYS 36 2HD LYS 36 -2.390 -8.763 6.020 274 2HD LYS 36 1HD LYS 36 -3.380 -8.695 4.561 275 1HE LYS 36 2HE LYS 36 -1.142 -9.974 4.481 276 2HE LYS 36 1HE LYS 36 -1.546 -8.886 3.152 277 1HZ LYS 36 1HZ LYS 36 0.789 -8.789 4.230 278 2HZ LYS 36 2HZ LYS 36 0.018 -7.878 5.430 279 3HZ LYS 36 3HZ LYS 36 0.002 -7.348 3.824 280 H ASP 37 H ASP 37 -5.433 -6.752 4.572 281 HA ASP 37 HA ASP 37 -6.601 -7.813 2.253 282 1HB ASP 37 2HB ASP 37 -6.796 -8.401 4.880 283 2HB ASP 37 1HB ASP 37 -8.319 -7.544 4.659 284 H ILE 38 H ILE 38 -7.892 -5.334 4.466 285 HA ILE 38 HA ILE 38 -10.158 -4.618 3.097 286 HB ILE 38 HB ILE 38 -8.281 -2.738 4.537 287 1HG1 ILE 38 2HG1 ILE 38 -10.664 -3.466 5.983 288 2HG1 ILE 38 1HG1 ILE 38 -9.787 -4.917 5.505 289 1HG2 ILE 38 1HG2 ILE 38 -11.236 -2.374 4.151 290 2HG2 ILE 38 2HG2 ILE 38 -10.051 -1.731 3.013 291 3HG2 ILE 38 3HG2 ILE 38 -10.043 -1.195 4.693 292 1HD1 ILE 38 1HD1 ILE 38 -7.863 -4.263 6.683 293 2HD1 ILE 38 2HD1 ILE 38 -9.222 -3.937 7.759 294 3HD1 ILE 38 3HD1 ILE 38 -8.453 -2.613 6.884 295 H ALA 39 H ALA 39 -6.951 -3.098 2.734 296 HA ALA 39 HA ALA 39 -7.557 -1.348 0.680 297 1HB ALA 39 1HB ALA 39 -4.998 -2.799 1.319 298 2HB ALA 39 2HB ALA 39 -5.456 -1.153 1.758 299 3HB ALA 39 3HB ALA 39 -5.116 -1.554 0.075 300 H ALA 40 H ALA 40 -6.454 -4.719 0.451 301 HA ALA 40 HA ALA 40 -6.216 -4.962 -2.287 302 1HB ALA 40 1HB ALA 40 -7.392 -7.360 -1.333 303 2HB ALA 40 2HB ALA 40 -6.349 -6.724 -0.062 304 3HB ALA 40 3HB ALA 40 -5.693 -7.028 -1.670 305 H HIS 41 H HIS 41 -9.123 -5.665 -0.342 306 HA HIS 41 HA HIS 41 -10.821 -6.209 -2.505 307 1HB HIS 41 2HB HIS 41 -12.010 -4.934 -0.105 308 2HB HIS 41 1HB HIS 41 -12.480 -6.406 -0.948 309 HD1 HIS 41 1HD HIS 41 -11.811 -5.800 2.235 310 HD2 HIS 41 2HD HIS 41 -9.682 -8.089 -0.500 311 HE1 HIS 41 1HE HIS 41 -10.472 -7.419 3.614 312 HE2 HIS 41 2HE HIS 41 -9.242 -8.840 1.936 313 H ILE 42 H ILE 42 -10.523 -3.224 -0.578 314 HA ILE 42 HA ILE 42 -12.291 -1.593 -1.842 315 HB ILE 42 HB ILE 42 -9.514 -0.807 -0.955 316 1HG1 ILE 42 2HG1 ILE 42 -12.112 -0.546 0.562 317 2HG1 ILE 42 1HG1 ILE 42 -11.041 -1.933 0.736 318 1HG2 ILE 42 1HG2 ILE 42 -11.336 0.692 -2.397 319 2HG2 ILE 42 2HG2 ILE 42 -9.981 1.311 -1.455 320 3HG2 ILE 42 3HG2 ILE 42 -11.584 1.206 -0.728 321 1HD1 ILE 42 1HD1 ILE 42 -10.609 -0.418 2.520 322 2HD1 ILE 42 2HD1 ILE 42 -10.432 0.934 1.401 323 3HD1 ILE 42 3HD1 ILE 42 -9.236 -0.363 1.415 324 H LYS 43 H LYS 43 -8.868 -1.924 -2.801 325 HA LYS 43 HA LYS 43 -8.943 -0.346 -5.072 326 1HB LYS 43 2HB LYS 43 -6.827 -1.076 -4.295 327 2HB LYS 43 1HB LYS 43 -7.291 -2.769 -4.384 328 1HG LYS 43 2HG LYS 43 -7.397 -1.315 -6.934 329 2HG LYS 43 1HG LYS 43 -5.788 -1.494 -6.230 330 1HD LYS 43 2HD LYS 43 -6.884 -3.995 -5.906 331 2HD LYS 43 1HD LYS 43 -7.528 -3.484 -7.467 332 1HE LYS 43 2HE LYS 43 -5.419 -3.288 -8.417 333 2HE LYS 43 1HE LYS 43 -4.620 -3.146 -6.851 334 1HZ LYS 43 1HZ LYS 43 -4.770 -5.403 -8.344 335 2HZ LYS 43 2HZ LYS 43 -5.992 -5.644 -7.200 336 3HZ LYS 43 3HZ LYS 43 -4.407 -5.345 -6.692 337 H LYS 44 H LYS 44 -8.936 -3.910 -5.180 338 HA LYS 44 HA LYS 44 -9.563 -4.414 -7.724 339 1HB LYS 44 2HB LYS 44 -9.461 -6.004 -5.653 340 2HB LYS 44 1HB LYS 44 -11.208 -5.814 -5.648 341 1HG LYS 44 2HG LYS 44 -9.903 -6.550 -8.209 342 2HG LYS 44 1HG LYS 44 -10.015 -7.777 -6.946 343 1HD LYS 44 2HD LYS 44 -12.525 -6.835 -6.873 344 2HD LYS 44 1HD LYS 44 -12.143 -6.514 -8.565 345 1HE LYS 44 2HE LYS 44 -12.811 -8.637 -8.877 346 2HE LYS 44 1HE LYS 44 -11.195 -9.037 -8.297 347 1HZ LYS 44 1HZ LYS 44 -13.753 -9.447 -7.036 348 2HZ LYS 44 2HZ LYS 44 -12.590 -8.781 -6.006 349 3HZ LYS 44 3HZ LYS 44 -12.283 -10.248 -6.788 350 H GLU 45 H GLU 45 -12.040 -3.714 -5.276 351 HA GLU 45 HA GLU 45 -14.281 -3.753 -6.882 352 1HB GLU 45 2HB GLU 45 -13.584 -2.168 -4.428 353 2HB GLU 45 1HB GLU 45 -15.129 -1.933 -5.233 354 1HG GLU 45 2HG GLU 45 -14.616 -4.732 -4.843 355 2HG GLU 45 1HG GLU 45 -14.477 -3.855 -3.320 356 H PHE 46 H PHE 46 -12.412 -0.843 -6.004 357 HA PHE 46 HA PHE 46 -13.709 0.968 -7.636 358 1HB PHE 46 2HB PHE 46 -11.082 0.817 -6.319 359 2HB PHE 46 1HB PHE 46 -11.129 1.877 -7.725 360 HD1 PHE 46 1HD PHE 46 -12.613 1.232 -4.413 361 HD2 PHE 46 2HD PHE 46 -12.223 3.970 -7.647 362 HE1 PHE 46 1HE PHE 46 -13.639 2.995 -3.038 363 HE2 PHE 46 2HE PHE 46 -13.248 5.739 -6.279 364 HZ PHE 46 HZ PHE 46 -13.958 5.252 -3.970 365 H ASP 47 H ASP 47 -10.870 -1.025 -8.410 366 HA ASP 47 HA ASP 47 -10.529 -0.108 -11.040 367 1HB ASP 47 2HB ASP 47 -8.817 -1.582 -11.106 368 2HB ASP 47 1HB ASP 47 -9.160 -1.806 -9.396 369 H LYS 48 H LYS 48 -12.894 -2.150 -9.660 370 HA LYS 48 HA LYS 48 -13.817 -2.908 -12.347 371 1HB LYS 48 2HB LYS 48 -13.540 -4.490 -9.872 372 2HB LYS 48 1HB LYS 48 -15.046 -4.726 -10.749 373 1HG LYS 48 2HG LYS 48 -12.521 -4.816 -12.301 374 2HG LYS 48 1HG LYS 48 -12.887 -6.173 -11.235 375 1HD LYS 48 2HD LYS 48 -13.726 -6.588 -13.484 376 2HD LYS 48 1HD LYS 48 -15.059 -6.449 -12.336 377 1HE LYS 48 2HE LYS 48 -15.665 -5.228 -14.291 378 2HE LYS 48 1HE LYS 48 -15.292 -4.056 -13.027 379 1HZ LYS 48 1HZ LYS 48 -13.486 -3.313 -14.125 380 2HZ LYS 48 2HZ LYS 48 -14.307 -3.906 -15.479 381 3HZ LYS 48 3HZ LYS 48 -13.088 -4.830 -14.761 382 H LYS 49 H LYS 49 -14.371 -0.688 -10.225 383 HA LYS 49 HA LYS 49 -17.298 -0.876 -10.416 384 1HB LYS 49 2HB LYS 49 -16.222 -1.112 -8.077 385 2HB LYS 49 1HB LYS 49 -15.906 0.612 -8.209 386 1HG LYS 49 2HG LYS 49 -18.008 1.128 -7.708 387 2HG LYS 49 1HG LYS 49 -18.651 -0.040 -8.864 388 1HD LYS 49 2HD LYS 49 -19.425 -0.753 -6.755 389 2HD LYS 49 1HD LYS 49 -18.079 -1.825 -7.146 390 1HE LYS 49 2HE LYS 49 -17.414 -1.308 -5.053 391 2HE LYS 49 1HE LYS 49 -16.762 0.127 -5.843 392 1HZ LYS 49 1HZ LYS 49 -18.007 1.289 -4.440 393 2HZ LYS 49 2HZ LYS 49 -18.849 -0.080 -3.912 394 3HZ LYS 49 3HZ LYS 49 -19.371 0.754 -5.289 395 H TYR 50 H TYR 50 -14.475 0.919 -11.069 396 HA TYR 50 HA TYR 50 -16.114 3.096 -12.145 397 1HB TYR 50 2HB TYR 50 -13.570 3.639 -10.613 398 2HB TYR 50 1HB TYR 50 -14.718 4.816 -11.239 399 HD1 TYR 50 1HD TYR 50 -13.973 2.482 -8.541 400 HD2 TYR 50 2HD TYR 50 -16.871 5.173 -10.112 401 HE1 TYR 50 1HE TYR 50 -15.136 2.483 -6.374 402 HE2 TYR 50 2HE TYR 50 -18.043 5.181 -7.950 403 HH TYR 50 HH TYR 50 -17.827 3.033 -5.728 404 H ASN 51 H ASN 51 -12.745 1.964 -11.864 405 HA ASN 51 HA ASN 51 -12.176 1.228 -14.378 406 1HB ASN 51 2HB ASN 51 -12.952 3.876 -14.589 407 2HB ASN 51 1HB ASN 51 -11.194 3.974 -14.587 408 1HD2 ASN 51 1HD2 ASN 51 -11.224 4.660 -16.743 409 2HD2 ASN 51 2HD2 ASN 51 -11.501 3.552 -18.039 410 HA PRO 52 HA PRO 52 -8.498 0.799 -11.863 411 1HB PRO 52 2HB PRO 52 -7.124 -0.776 -13.613 412 2HB PRO 52 1HB PRO 52 -8.392 -1.387 -12.544 413 1HG PRO 52 2HG PRO 52 -8.550 -0.643 -15.436 414 2HG PRO 52 1HG PRO 52 -9.256 -2.036 -14.597 415 1HD PRO 52 2HD PRO 52 -10.711 0.147 -15.243 416 2HD PRO 52 1HD PRO 52 -11.031 -0.803 -13.778 417 H THR 53 H THR 53 -5.637 2.425 -13.287 418 HA THR 53 HA THR 53 -6.685 0.236 -11.638 419 HB THR 53 HB THR 53 -3.899 1.055 -12.410 420 HG1 THR 53 1HG THR 53 -5.176 -1.472 -12.401 421 1HG2 THR 53 1HG2 THR 53 -4.588 0.089 -9.845 422 2HG2 THR 53 2HG2 THR 53 -2.985 0.331 -10.538 423 3HG2 THR 53 3HG2 THR 53 -3.802 -1.221 -10.728 424 H TRP 54 H TRP 54 -7.110 0.564 -9.565 425 HA TRP 54 HA TRP 54 -6.510 3.183 -8.429 426 1HB TRP 54 2HB TRP 54 -8.288 0.972 -7.387 427 2HB TRP 54 1HB TRP 54 -8.140 2.585 -6.696 428 HD1 TRP 54 HD TRP 54 -9.375 0.874 -9.936 429 HE1 TRP 54 1HE TRP 54 -11.198 2.361 -10.973 430 HE3 TRP 54 3HE TRP 54 -9.112 4.839 -6.724 431 HZ2 TRP 54 2HZ TRP 54 -12.378 4.883 -10.490 432 HZ3 TRP 54 3HZ TRP 54 -10.617 6.747 -7.084 433 HH2 TRP 54 HH TRP 54 -12.217 6.770 -8.924 434 H HIS 55 H HIS 55 -4.921 3.501 -7.054 435 HA HIS 55 HA HIS 55 -3.734 1.191 -5.669 436 1HB HIS 55 2HB HIS 55 -2.422 3.888 -5.942 437 2HB HIS 55 1HB HIS 55 -1.669 2.326 -5.643 438 HD1 HIS 55 1HD HIS 55 -4.119 2.403 -8.404 439 HD2 HIS 55 2HD HIS 55 -0.022 2.879 -7.914 440 HE1 HIS 55 1HE HIS 55 -3.144 2.240 -10.715 441 HE2 HIS 55 2HE HIS 55 -0.658 2.497 -10.392 442 H CYS 56 H CYS 56 -4.949 1.074 -3.828 443 HA CYS 56 HA CYS 56 -5.126 3.525 -2.202 444 1HB CYS 56 2HB CYS 56 -7.151 2.555 -1.205 445 2HB CYS 56 1HB CYS 56 -7.304 2.750 -2.947 446 HG CYS 56 HG CYS 56 -6.456 -0.058 -2.310 447 H ILE 57 H ILE 57 -5.239 3.230 0.107 448 HA ILE 57 HA ILE 57 -3.773 0.877 1.104 449 HB ILE 57 HB ILE 57 -3.342 3.649 2.203 450 1HG1 ILE 57 2HG1 ILE 57 -2.610 3.601 -0.153 451 2HG1 ILE 57 1HG1 ILE 57 -1.249 3.753 0.953 452 1HG2 ILE 57 1HG2 ILE 57 -1.327 1.495 2.432 453 2HG2 ILE 57 2HG2 ILE 57 -2.813 1.299 3.359 454 3HG2 ILE 57 3HG2 ILE 57 -1.809 2.729 3.596 455 1HD1 ILE 57 1HD1 ILE 57 -2.129 1.289 -0.523 456 2HD1 ILE 57 2HD1 ILE 57 -0.877 1.308 0.718 457 3HD1 ILE 57 3HD1 ILE 57 -0.656 2.225 -0.771 458 H VAL 58 H VAL 58 -3.983 0.735 3.568 459 HA VAL 58 HA VAL 58 -6.208 2.035 4.797 460 HB VAL 58 HB VAL 58 -7.515 0.513 3.471 461 1HG1 VAL 58 1HG1 VAL 58 -5.337 -1.236 3.890 462 2HG1 VAL 58 2HG1 VAL 58 -6.756 -1.481 2.872 463 3HG1 VAL 58 3HG1 VAL 58 -6.775 -2.013 4.555 464 1HG2 VAL 58 1HG2 VAL 58 -7.336 -0.438 6.329 465 2HG2 VAL 58 2HG2 VAL 58 -8.699 -0.693 5.239 466 3HG2 VAL 58 3HG2 VAL 58 -8.273 0.940 5.752 467 H GLY 59 H GLY 59 -5.337 2.375 6.730 468 1HA GLY 59 2HA GLY 59 -4.424 0.063 8.268 469 2HA GLY 59 1HA GLY 59 -3.291 1.390 8.052 470 H ARG 60 H ARG 60 -3.168 2.495 9.893 471 HA ARG 60 HA ARG 60 -5.444 3.827 10.952 472 1HB ARG 60 2HB ARG 60 -4.907 2.682 13.283 473 2HB ARG 60 1HB ARG 60 -6.081 2.007 12.161 474 1HG ARG 60 2HG ARG 60 -3.545 0.977 11.464 475 2HG ARG 60 1HG ARG 60 -3.732 0.813 13.211 476 1HD ARG 60 2HD ARG 60 -6.112 -0.073 12.554 477 2HD ARG 60 1HD ARG 60 -5.335 -0.390 11.002 478 HE ARG 60 HE ARG 60 -4.496 -2.253 11.996 479 1HH1 ARG 60 1HH1 ARG 60 -4.706 0.263 14.393 480 2HH1 ARG 60 2HH1 ARG 60 -3.999 -0.695 15.651 481 1HH2 ARG 60 1HH2 ARG 60 -3.556 -3.523 13.644 482 2HH2 ARG 60 2HH2 ARG 60 -3.343 -2.847 15.223 483 H ASN 61 H ASN 61 -2.106 2.778 11.403 484 HA ASN 61 HA ASN 61 -1.439 5.484 12.302 485 1HB ASN 61 2HB ASN 61 -1.385 3.129 13.957 486 2HB ASN 61 1HB ASN 61 0.248 3.758 13.761 487 1HD2 ASN 61 1HD2 ASN 61 0.572 4.627 15.720 488 2HD2 ASN 61 2HD2 ASN 61 -0.373 5.907 16.393 489 H PHE 62 H PHE 62 -0.987 4.805 9.774 490 HA PHE 62 HA PHE 62 1.838 3.993 9.648 491 1HB PHE 62 2HB PHE 62 1.463 3.338 7.364 492 2HB PHE 62 1HB PHE 62 0.199 2.615 8.352 493 HD1 PHE 62 1HD PHE 62 0.647 3.824 5.279 494 HD2 PHE 62 2HD PHE 62 -1.780 4.629 8.680 495 HE1 PHE 62 1HE PHE 62 -1.060 4.827 3.817 496 HE2 PHE 62 2HE PHE 62 -3.492 5.633 7.226 497 HZ PHE 62 HZ PHE 62 -3.134 5.732 4.791 498 H GLY 63 H GLY 63 3.050 5.050 7.790 499 1HA GLY 63 2HA GLY 63 2.371 7.926 7.736 500 2HA GLY 63 1HA GLY 63 4.017 7.308 7.760 501 H SER 64 H SER 64 1.083 7.534 5.825 502 HA SER 64 HA SER 64 2.319 6.534 3.446 503 1HB SER 64 2HB SER 64 0.140 7.721 2.468 504 2HB SER 64 1HB SER 64 0.058 6.179 3.318 505 HG SER 64 HG SER 64 -0.515 8.763 4.321 506 H TYR 65 H TYR 65 3.196 7.603 1.763 507 HA TYR 65 HA TYR 65 3.023 10.489 1.569 508 1HB TYR 65 2HB TYR 65 5.023 9.771 3.101 509 2HB TYR 65 1HB TYR 65 5.790 9.330 1.578 510 HD1 TYR 65 1HD TYR 65 6.915 10.948 0.335 511 HD2 TYR 65 2HD TYR 65 4.109 12.183 3.285 512 HE1 TYR 65 1HE TYR 65 7.596 13.286 -0.004 513 HE2 TYR 65 2HE TYR 65 4.783 14.524 2.955 514 HH TYR 65 HH TYR 65 6.128 15.726 0.524 515 H VAL 66 H VAL 66 1.823 9.305 -0.245 516 HA VAL 66 HA VAL 66 3.676 8.731 -2.462 517 HB VAL 66 HB VAL 66 1.771 7.545 -3.529 518 1HG1 VAL 66 1HG1 VAL 66 3.186 6.031 -2.552 519 2HG1 VAL 66 2HG1 VAL 66 1.702 5.688 -1.664 520 3HG1 VAL 66 3HG1 VAL 66 2.955 6.692 -0.934 521 1HG2 VAL 66 1HG2 VAL 66 0.402 8.538 -1.108 522 2HG2 VAL 66 2HG2 VAL 66 0.015 6.891 -1.606 523 3HG2 VAL 66 3HG2 VAL 66 -0.229 8.232 -2.726 524 H THR 67 H THR 67 2.920 9.386 -4.625 525 HA THR 67 HA THR 67 1.970 12.108 -4.564 526 HB THR 67 HB THR 67 3.839 11.150 -6.055 527 HG1 THR 67 1HG THR 67 2.162 12.507 -7.744 528 1HG2 THR 67 1HG2 THR 67 2.753 10.650 -8.381 529 2HG2 THR 67 2HG2 THR 67 1.428 10.046 -7.386 530 3HG2 THR 67 3HG2 THR 67 3.044 9.360 -7.214 531 H HIS 68 H HIS 68 0.807 11.871 -7.280 532 HA HIS 68 HA HIS 68 -1.413 10.190 -7.354 533 1HB HIS 68 2HB HIS 68 -3.206 11.416 -6.492 534 2HB HIS 68 1HB HIS 68 -1.939 11.673 -5.298 535 HD1 HIS 68 1HD HIS 68 -1.428 14.041 -4.734 536 HD2 HIS 68 2HD HIS 68 -3.470 13.693 -8.336 537 HE1 HIS 68 1HE HIS 68 -1.938 16.398 -5.449 538 HE2 HIS 68 2HE HIS 68 -3.134 16.165 -7.653 539 H GLU 69 H GLU 69 -2.978 10.816 -9.042 540 HA GLU 69 HA GLU 69 -2.395 13.078 -10.706 541 1HB GLU 69 2HB GLU 69 -1.898 11.616 -12.731 542 2HB GLU 69 1HB GLU 69 -0.605 11.794 -11.553 543 1HG GLU 69 2HG GLU 69 -1.185 9.618 -10.595 544 2HG GLU 69 1HG GLU 69 -2.463 9.439 -11.794 545 H THR 70 H THR 70 -3.776 13.087 -12.686 546 HA THR 70 HA THR 70 -5.784 12.874 -13.735 547 HB THR 70 HB THR 70 -6.187 10.327 -12.166 548 HG1 THR 70 1HG THR 70 -4.131 10.540 -13.398 549 1HG2 THR 70 1HG2 THR 70 -8.064 10.209 -13.335 550 2HG2 THR 70 2HG2 THR 70 -7.058 9.981 -14.765 551 3HG2 THR 70 3HG2 THR 70 -7.618 11.596 -14.330 552 H LYS 71 H LYS 71 -7.065 11.071 -11.043 553 HA LYS 71 HA LYS 71 -7.877 12.996 -9.280 554 1HB LYS 71 2HB LYS 71 -10.243 13.439 -10.062 555 2HB LYS 71 1HB LYS 71 -8.976 14.254 -10.968 556 1HG LYS 71 2HG LYS 71 -9.426 13.133 -12.863 557 2HG LYS 71 1HG LYS 71 -9.780 11.627 -12.015 558 1HD LYS 71 2HD LYS 71 -11.712 13.817 -11.601 559 2HD LYS 71 1HD LYS 71 -11.648 13.151 -13.234 560 1HE LYS 71 2HE LYS 71 -11.634 11.095 -11.175 561 2HE LYS 71 1HE LYS 71 -13.067 12.120 -11.100 562 1HZ LYS 71 1HZ LYS 71 -13.640 11.570 -13.299 563 2HZ LYS 71 2HZ LYS 71 -13.223 10.104 -12.567 564 3HZ LYS 71 3HZ LYS 71 -12.134 10.864 -13.617 565 H HIS 72 H HIS 72 -7.332 10.714 -8.493 566 HA HIS 72 HA HIS 72 -9.815 9.470 -7.694 567 1HB HIS 72 2HB HIS 72 -7.741 7.946 -9.279 568 2HB HIS 72 1HB HIS 72 -9.051 7.189 -8.379 569 HD1 HIS 72 1HD HIS 72 -11.541 8.238 -9.173 570 HD2 HIS 72 2HD HIS 72 -8.383 8.315 -11.872 571 HE1 HIS 72 1HE HIS 72 -12.601 8.478 -11.440 572 HE2 HIS 72 2HE HIS 72 -10.673 8.472 -13.064 573 H PHE 73 H PHE 73 -7.223 10.810 -6.702 574 HA PHE 73 HA PHE 73 -6.305 8.729 -4.855 575 1HB PHE 73 2HB PHE 73 -4.408 9.741 -5.731 576 2HB PHE 73 1HB PHE 73 -5.165 11.327 -5.813 577 HD1 PHE 73 1HD PHE 73 -4.502 12.919 -4.297 578 HD2 PHE 73 2HD PHE 73 -4.109 8.807 -3.270 579 HE1 PHE 73 1HE PHE 73 -3.401 13.554 -2.189 580 HE2 PHE 73 2HE PHE 73 -3.009 9.434 -1.162 581 HZ PHE 73 HZ PHE 73 -2.654 11.811 -0.618 582 H ILE 74 H ILE 74 -7.751 8.592 -3.213 583 HA ILE 74 HA ILE 74 -8.330 11.087 -1.757 584 HB ILE 74 HB ILE 74 -10.313 10.075 -2.944 585 1HG1 ILE 74 2HG1 ILE 74 -10.067 10.865 -0.109 586 2HG1 ILE 74 1HG1 ILE 74 -11.090 11.526 -1.375 587 1HG2 ILE 74 1HG2 ILE 74 -9.623 7.718 -2.470 588 2HG2 ILE 74 2HG2 ILE 74 -11.310 8.075 -2.101 589 3HG2 ILE 74 3HG2 ILE 74 -10.126 7.966 -0.798 590 1HD1 ILE 74 1HD1 ILE 74 -11.694 9.599 0.719 591 2HD1 ILE 74 2HD1 ILE 74 -12.269 9.112 -0.875 592 3HD1 ILE 74 3HD1 ILE 74 -12.764 10.662 -0.195 593 H TYR 75 H TYR 75 -7.429 11.124 0.178 594 HA TYR 75 HA TYR 75 -6.981 8.573 1.580 595 1HB TYR 75 2HB TYR 75 -4.875 9.652 1.080 596 2HB TYR 75 1HB TYR 75 -5.451 11.178 1.744 597 HD1 TYR 75 1HD TYR 75 -4.949 11.717 3.945 598 HD2 TYR 75 2HD TYR 75 -4.816 7.637 2.741 599 HE1 TYR 75 1HE TYR 75 -4.046 11.102 6.148 600 HE2 TYR 75 2HE TYR 75 -3.913 7.012 4.941 601 HH TYR 75 HH TYR 75 -2.756 9.314 7.175 602 H PHE 76 H PHE 76 -7.831 8.304 3.581 603 HA PHE 76 HA PHE 76 -8.819 10.599 5.068 604 1HB PHE 76 2HB PHE 76 -11.038 9.192 5.350 605 2HB PHE 76 1HB PHE 76 -10.834 10.301 3.998 606 HD1 PHE 76 1HD PHE 76 -11.815 7.088 4.895 607 HD2 PHE 76 2HD PHE 76 -9.670 9.187 1.878 608 HE1 PHE 76 1HE PHE 76 -12.210 5.232 3.330 609 HE2 PHE 76 2HE PHE 76 -10.062 7.336 0.306 610 HZ PHE 76 HZ PHE 76 -11.333 5.355 1.031 611 H TYR 77 H TYR 77 -9.987 9.714 7.134 612 HA TYR 77 HA TYR 77 -8.548 7.345 8.125 613 1HB TYR 77 2HB TYR 77 -7.309 9.210 8.983 614 2HB TYR 77 1HB TYR 77 -8.784 10.036 9.475 615 HD1 TYR 77 1HD TYR 77 -10.209 8.900 11.296 616 HD2 TYR 77 2HD TYR 77 -6.164 7.856 10.496 617 HE1 TYR 77 1HE TYR 77 -10.034 7.888 13.532 618 HE2 TYR 77 2HE TYR 77 -5.977 6.841 12.728 619 HH TYR 77 HH TYR 77 -7.282 5.997 14.483 620 H LEU 78 H LEU 78 -10.269 5.970 8.236 621 HA LEU 78 HA LEU 78 -12.873 6.705 9.060 622 1HB LEU 78 2HB LEU 78 -11.474 4.040 8.918 623 2HB LEU 78 1HB LEU 78 -13.145 4.201 9.416 624 HG LEU 78 HG LEU 78 -12.784 3.535 7.020 625 1HD1 LEU 78 1HD1 LEU 78 -14.291 5.775 6.384 626 2HD1 LEU 78 2HD1 LEU 78 -14.555 5.540 8.112 627 3HD1 LEU 78 3HD1 LEU 78 -14.892 4.229 6.982 628 1HD2 LEU 78 1HD2 LEU 78 -12.343 5.561 5.512 629 2HD2 LEU 78 2HD2 LEU 78 -10.961 4.795 6.298 630 3HD2 LEU 78 3HD2 LEU 78 -11.624 6.297 6.944 631 H GLY 79 H GLY 79 -13.769 5.091 10.981 632 1HA GLY 79 2HA GLY 79 -12.965 6.326 13.371 633 2HA GLY 79 1HA GLY 79 -13.944 4.869 13.261 634 H GLN 80 H GLN 80 -10.671 6.121 13.449 635 HA GLN 80 HA GLN 80 -8.860 5.243 14.559 636 1HB GLN 80 2HB GLN 80 -10.654 3.884 15.841 637 2HB GLN 80 1HB GLN 80 -10.218 2.570 14.757 638 1HG GLN 80 2HG GLN 80 -8.169 2.279 15.702 639 2HG GLN 80 1HG GLN 80 -8.029 3.967 16.189 640 1HE2 GLN 80 1HE2 GLN 80 -9.400 4.667 17.985 641 2HE2 GLN 80 2HE2 GLN 80 -9.746 3.544 19.251 642 H VAL 81 H VAL 81 -9.901 4.764 11.653 643 HA VAL 81 HA VAL 81 -7.616 3.090 10.876 644 HB VAL 81 HB VAL 81 -10.389 2.853 9.694 645 1HG1 VAL 81 1HG1 VAL 81 -8.855 0.742 8.789 646 2HG1 VAL 81 2HG1 VAL 81 -7.765 2.123 8.689 647 3HG1 VAL 81 3HG1 VAL 81 -9.321 2.167 7.861 648 1HG2 VAL 81 1HG2 VAL 81 -10.138 0.468 10.530 649 2HG2 VAL 81 2HG2 VAL 81 -10.412 1.709 11.754 650 3HG2 VAL 81 3HG2 VAL 81 -8.791 1.061 11.502 651 H ALA 82 H ALA 82 -7.320 3.274 8.371 652 HA ALA 82 HA ALA 82 -8.094 5.875 7.322 653 1HB ALA 82 1HB ALA 82 -6.189 6.883 7.864 654 2HB ALA 82 2HB ALA 82 -5.359 5.780 6.767 655 3HB ALA 82 3HB ALA 82 -5.504 5.379 8.478 656 H ILE 83 H ILE 83 -7.699 6.109 5.056 657 HA ILE 83 HA ILE 83 -6.899 3.675 3.632 658 HB ILE 83 HB ILE 83 -9.231 5.065 2.477 659 1HG1 ILE 83 2HG1 ILE 83 -9.723 4.940 4.957 660 2HG1 ILE 83 1HG1 ILE 83 -10.872 4.106 3.917 661 1HG2 ILE 83 1HG2 ILE 83 -8.069 3.045 1.543 662 2HG2 ILE 83 2HG2 ILE 83 -9.815 2.892 1.733 663 3HG2 ILE 83 3HG2 ILE 83 -8.730 2.130 2.897 664 1HD1 ILE 83 1HD1 ILE 83 -8.775 2.935 5.704 665 2HD1 ILE 83 2HD1 ILE 83 -9.528 2.001 4.411 666 3HD1 ILE 83 3HD1 ILE 83 -10.517 2.662 5.712 667 H LEU 84 H LEU 84 -5.335 4.249 2.282 668 HA LEU 84 HA LEU 84 -5.273 6.978 1.222 669 1HB LEU 84 2HB LEU 84 -3.236 6.284 2.277 670 2HB LEU 84 1HB LEU 84 -3.195 4.800 1.344 671 HG LEU 84 HG LEU 84 -3.037 6.395 -0.712 672 1HD1 LEU 84 1HD1 LEU 84 -3.478 8.403 0.781 673 2HD1 LEU 84 2HD1 LEU 84 -2.127 8.528 -0.346 674 3HD1 LEU 84 3HD1 LEU 84 -1.826 8.196 1.360 675 1HD2 LEU 84 1HD2 LEU 84 -1.172 5.123 -0.510 676 2HD2 LEU 84 2HD2 LEU 84 -0.973 5.491 1.204 677 3HD2 LEU 84 3HD2 LEU 84 -0.471 6.664 -0.014 678 H LEU 85 H LEU 85 -6.899 6.739 -0.357 679 HA LEU 85 HA LEU 85 -6.498 4.769 -2.460 680 1HB LEU 85 2HB LEU 85 -8.730 6.111 -1.365 681 2HB LEU 85 1HB LEU 85 -8.595 6.642 -3.031 682 HG LEU 85 HG LEU 85 -8.364 4.047 -3.488 683 1HD1 LEU 85 1HD1 LEU 85 -8.359 3.397 -1.147 684 2HD1 LEU 85 2HD1 LEU 85 -9.778 2.752 -1.974 685 3HD1 LEU 85 3HD1 LEU 85 -9.934 4.157 -0.920 686 1HD2 LEU 85 1HD2 LEU 85 -10.334 4.343 -4.479 687 2HD2 LEU 85 2HD2 LEU 85 -10.360 5.946 -3.745 688 3HD2 LEU 85 3HD2 LEU 85 -11.155 4.595 -2.938 689 H PHE 86 H PHE 86 -5.884 5.202 -4.519 690 HA PHE 86 HA PHE 86 -5.822 7.777 -5.674 691 1HB PHE 86 2HB PHE 86 -3.657 8.507 -5.438 692 2HB PHE 86 1HB PHE 86 -3.880 7.714 -3.884 693 HD1 PHE 86 1HD PHE 86 -2.444 7.288 -7.265 694 HD2 PHE 86 2HD PHE 86 -2.530 5.905 -3.241 695 HE1 PHE 86 1HE PHE 86 -0.478 5.880 -7.712 696 HE2 PHE 86 2HE PHE 86 -0.562 4.493 -3.680 697 HZ PHE 86 HZ PHE 86 0.466 4.480 -5.918 698 H LYS 87 H LYS 87 -6.041 7.425 -7.763 699 HA LYS 87 HA LYS 87 -5.183 4.871 -8.901 700 1HB LYS 87 2HB LYS 87 -7.445 6.458 -9.238 701 2HB LYS 87 1HB LYS 87 -6.534 6.690 -10.722 702 1HG LYS 87 2HG LYS 87 -6.526 4.329 -11.146 703 2HG LYS 87 1HG LYS 87 -7.285 4.010 -9.583 704 1HD LYS 87 2HD LYS 87 -9.171 3.992 -10.835 705 2HD LYS 87 1HD LYS 87 -9.067 5.737 -10.600 706 1HE LYS 87 2HE LYS 87 -7.749 5.836 -12.743 707 2HE LYS 87 1HE LYS 87 -8.169 4.141 -12.991 708 1HZ LYS 87 1HZ LYS 87 -9.905 6.511 -13.058 709 2HZ LYS 87 2HZ LYS 87 -10.570 5.018 -12.629 710 3HZ LYS 87 3HZ LYS 87 -9.826 5.209 -14.135 711 H SER 88 H SER 88 -3.298 4.733 -9.917 712 HA SER 88 HA SER 88 -1.899 7.130 -10.736 713 1HB SER 88 2HB SER 88 -1.201 4.310 -10.247 714 2HB SER 88 1HB SER 88 -0.301 5.084 -11.551 715 HG SER 88 HG SER 88 -0.250 6.842 -9.684 716 H GLY 89 H GLY 89 -4.329 5.982 -12.094 717 1HA GLY 89 2HA GLY 89 -4.363 6.875 -14.529 718 2HA GLY 89 1HA GLY 89 -3.244 5.548 -14.790 719 1H MET 1 1HT MET 1 29.364 -0.214 5.329 720 2H MET 1 2HT MET 1 28.151 -0.144 6.541 721 3H MET 1 3HT MET 1 27.851 0.513 4.983 722 HA MET 1 HA MET 1 27.178 -1.379 4.213 723 1HB MET 1 2HB MET 1 29.813 -2.251 5.343 724 2HB MET 1 1HB MET 1 28.693 -3.460 4.728 725 1HG MET 1 2HG MET 1 28.642 -1.879 2.634 726 2HG MET 1 1HG MET 1 30.198 -1.351 3.273 727 1HE MET 1 1HE MET 1 32.492 -2.978 1.907 728 2HE MET 1 2HE MET 1 32.477 -4.111 3.259 729 3HE MET 1 3HE MET 1 32.071 -2.415 3.525 730 H CYS 2 H CYS 2 26.126 -0.483 6.629 731 HA CYS 2 HA CYS 2 24.852 -2.846 7.567 732 1HB CYS 2 2HB CYS 2 26.051 -1.607 9.922 733 2HB CYS 2 1HB CYS 2 25.922 -3.307 9.491 734 HG CYS 2 HG CYS 2 28.454 -2.349 9.624 735 H ASP 3 H ASP 3 23.119 -1.479 6.815 736 HA ASP 3 HA ASP 3 22.140 0.264 8.938 737 1HB ASP 3 2HB ASP 3 22.292 1.148 6.048 738 2HB ASP 3 1HB ASP 3 21.519 2.041 7.356 739 H ARG 4 H ARG 4 21.639 -2.188 6.782 740 HA ARG 4 HA ARG 4 18.859 -1.695 6.199 741 1HB ARG 4 2HB ARG 4 19.381 -4.418 5.783 742 2HB ARG 4 1HB ARG 4 19.343 -3.146 4.571 743 1HG ARG 4 2HG ARG 4 21.873 -3.116 5.902 744 2HG ARG 4 1HG ARG 4 21.518 -4.748 5.331 745 1HD ARG 4 2HD ARG 4 21.320 -4.045 3.103 746 2HD ARG 4 1HD ARG 4 21.163 -2.350 3.562 747 HE ARG 4 HE ARG 4 23.689 -3.712 4.120 748 1HH1 ARG 4 1HH1 ARG 4 21.875 -1.411 2.238 749 2HH1 ARG 4 2HH1 ARG 4 23.283 -0.642 1.583 750 1HH2 ARG 4 1HH2 ARG 4 25.547 -2.710 3.261 751 2HH2 ARG 4 2HH2 ARG 4 25.370 -1.382 2.165 752 H LYS 5 H LYS 5 18.541 -1.343 8.636 753 HA LYS 5 HA LYS 5 18.257 -3.805 10.158 754 1HB LYS 5 2HB LYS 5 18.952 -1.276 10.896 755 2HB LYS 5 1HB LYS 5 17.250 -1.302 11.331 756 1HG LYS 5 2HG LYS 5 18.763 -3.667 12.178 757 2HG LYS 5 1HG LYS 5 19.270 -2.149 12.924 758 1HD LYS 5 2HD LYS 5 17.078 -1.740 13.765 759 2HD LYS 5 1HD LYS 5 16.401 -3.063 12.813 760 1HE LYS 5 2HE LYS 5 17.418 -4.696 14.159 761 2HE LYS 5 1HE LYS 5 18.521 -3.528 14.888 762 1HZ LYS 5 1HZ LYS 5 16.407 -4.363 16.155 763 2HZ LYS 5 2HZ LYS 5 15.639 -3.146 15.265 764 3HZ LYS 5 3HZ LYS 5 16.921 -2.757 16.297 765 H ALA 6 H ALA 6 16.588 -3.539 7.869 766 HA ALA 6 HA ALA 6 13.937 -3.211 9.099 767 1HB ALA 6 1HB ALA 6 14.378 -3.336 6.142 768 2HB ALA 6 2HB ALA 6 14.644 -1.835 7.029 769 3HB ALA 6 3HB ALA 6 13.054 -2.598 7.042 770 H VAL 7 H VAL 7 12.615 -4.589 6.926 771 HA VAL 7 HA VAL 7 13.624 -7.289 6.883 772 HB VAL 7 HB VAL 7 10.951 -6.874 8.208 773 1HG1 VAL 7 1HG1 VAL 7 11.464 -9.038 7.068 774 2HG1 VAL 7 2HG1 VAL 7 11.117 -9.182 8.791 775 3HG1 VAL 7 3HG1 VAL 7 12.783 -9.266 8.216 776 1HG2 VAL 7 1HG2 VAL 7 12.299 -7.642 10.294 777 2HG2 VAL 7 2HG2 VAL 7 12.317 -5.941 9.825 778 3HG2 VAL 7 3HG2 VAL 7 13.681 -6.982 9.421 779 H ILE 8 H ILE 8 13.427 -6.280 4.617 780 HA ILE 8 HA ILE 8 11.225 -5.617 3.249 781 HB ILE 8 HB ILE 8 13.611 -7.191 2.505 782 1HG1 ILE 8 2HG1 ILE 8 13.359 -5.496 0.527 783 2HG1 ILE 8 1HG1 ILE 8 12.165 -4.739 1.575 784 1HG2 ILE 8 1HG2 ILE 8 11.153 -7.247 0.762 785 2HG2 ILE 8 2HG2 ILE 8 11.986 -8.633 1.466 786 3HG2 ILE 8 3HG2 ILE 8 12.779 -7.666 0.221 787 1HD1 ILE 8 1HD1 ILE 8 13.826 -4.396 3.283 788 2HD1 ILE 8 2HD1 ILE 8 14.397 -3.728 1.754 789 3HD1 ILE 8 3HD1 ILE 8 15.027 -5.270 2.333 790 H LYS 9 H LYS 9 9.431 -6.549 2.361 791 HA LYS 9 HA LYS 9 8.834 -9.302 3.241 792 1HB LYS 9 2HB LYS 9 6.888 -7.001 2.981 793 2HB LYS 9 1HB LYS 9 6.482 -8.642 3.463 794 1HG LYS 9 2HG LYS 9 8.511 -7.112 5.023 795 2HG LYS 9 1HG LYS 9 6.793 -6.787 5.257 796 1HD LYS 9 2HD LYS 9 7.585 -8.437 6.865 797 2HD LYS 9 1HD LYS 9 6.417 -9.156 5.756 798 1HE LYS 9 2HE LYS 9 8.859 -9.551 4.512 799 2HE LYS 9 1HE LYS 9 9.202 -9.827 6.220 800 1HZ LYS 9 1HZ LYS 9 8.509 -11.848 5.037 801 2HZ LYS 9 2HZ LYS 9 7.009 -11.140 4.706 802 3HZ LYS 9 3HZ LYS 9 7.460 -11.457 6.306 803 H ASN 10 H ASN 10 8.904 -7.002 0.700 804 HA ASN 10 HA ASN 10 8.234 -9.080 -1.219 805 1HB ASN 10 2HB ASN 10 6.087 -7.845 -0.595 806 2HB ASN 10 1HB ASN 10 6.791 -6.433 -1.378 807 1HD2 ASN 10 1HD2 ASN 10 8.159 -8.049 -3.387 808 2HD2 ASN 10 2HD2 ASN 10 6.941 -8.555 -4.502 809 H ALA 11 H ALA 11 7.910 -5.856 -2.289 810 HA ALA 11 HA ALA 11 9.247 -4.440 -3.471 811 1HB ALA 11 1HB ALA 11 11.371 -5.986 -2.018 812 2HB ALA 11 2HB ALA 11 10.801 -4.345 -1.713 813 3HB ALA 11 3HB ALA 11 11.756 -4.694 -3.155 814 H ASP 12 H ASP 12 10.134 -4.319 -5.493 815 HA ASP 12 HA ASP 12 11.100 -6.738 -6.786 816 1HB ASP 12 2HB ASP 12 8.443 -5.887 -7.130 817 2HB ASP 12 1HB ASP 12 9.292 -5.368 -8.583 818 H MET 13 H MET 13 12.108 -4.129 -5.877 819 HA MET 13 HA MET 13 12.875 -2.867 -8.409 820 1HB MET 13 2HB MET 13 12.074 -1.227 -6.937 821 2HB MET 13 1HB MET 13 12.868 -1.952 -5.548 822 1HG MET 13 2HG MET 13 14.923 -1.057 -6.085 823 2HG MET 13 1HG MET 13 14.505 -0.853 -7.785 824 1HE MET 13 1HE MET 13 12.118 1.080 -4.672 825 2HE MET 13 2HE MET 13 13.738 1.543 -4.151 826 3HE MET 13 3HE MET 13 13.337 -0.160 -4.376 827 H SER 14 H SER 14 15.168 -2.058 -8.504 828 HA SER 14 HA SER 14 16.993 -4.100 -8.543 829 1HB SER 14 2HB SER 14 17.230 -1.129 -8.463 830 2HB SER 14 1HB SER 14 18.697 -2.073 -8.207 831 HG SER 14 HG SER 14 18.292 -3.106 -10.201 832 H GLU 15 H GLU 15 18.565 -4.906 -7.175 833 HA GLU 15 HA GLU 15 18.027 -5.162 -4.490 834 1HB GLU 15 2HB GLU 15 20.518 -5.746 -4.292 835 2HB GLU 15 1HB GLU 15 19.539 -6.709 -5.389 836 1HG GLU 15 2HG GLU 15 20.376 -4.889 -7.126 837 2HG GLU 15 1HG GLU 15 21.705 -4.777 -5.972 838 H GLU 16 H GLU 16 20.823 -3.293 -5.675 839 HA GLU 16 HA GLU 16 21.433 -1.959 -3.366 840 1HB GLU 16 2HB GLU 16 21.615 -0.286 -5.788 841 2HB GLU 16 1HB GLU 16 22.860 -0.733 -4.631 842 1HG GLU 16 2HG GLU 16 22.559 -3.098 -5.779 843 2HG GLU 16 1HG GLU 16 21.996 -2.097 -7.116 844 H MET 17 H MET 17 18.680 -1.519 -5.372 845 HA MET 17 HA MET 17 18.065 1.136 -4.416 846 1HB MET 17 2HB MET 17 16.635 -0.843 -6.170 847 2HB MET 17 1HB MET 17 15.827 0.607 -5.590 848 1HG MET 17 2HG MET 17 18.377 1.306 -6.679 849 2HG MET 17 1HG MET 17 17.480 0.326 -7.840 850 1HE MET 17 1HE MET 17 15.449 2.306 -5.246 851 2HE MET 17 2HE MET 17 15.369 3.934 -5.918 852 3HE MET 17 3HE MET 17 16.892 3.319 -5.279 853 H GLN 18 H GLN 18 17.035 -2.169 -3.755 854 HA GLN 18 HA GLN 18 14.914 -1.438 -1.994 855 1HB GLN 18 2HB GLN 18 15.644 -3.996 -1.260 856 2HB GLN 18 1HB GLN 18 14.454 -3.576 -2.485 857 1HG GLN 18 2HG GLN 18 16.854 -3.433 -3.835 858 2HG GLN 18 1HG GLN 18 17.056 -4.818 -2.763 859 1HE2 GLN 18 1HE2 GLN 18 13.828 -4.302 -3.420 860 2HE2 GLN 18 2HE2 GLN 18 13.626 -5.457 -4.689 861 H GLN 19 H GLN 19 18.326 -2.150 -1.612 862 HA GLN 19 HA GLN 19 18.223 -2.208 1.260 863 1HB GLN 19 2HB GLN 19 20.531 -2.037 -0.684 864 2HB GLN 19 1HB GLN 19 20.725 -2.152 1.060 865 1HG GLN 19 2HG GLN 19 19.342 -4.290 0.892 866 2HG GLN 19 1HG GLN 19 19.644 -4.197 -0.843 867 1HE2 GLN 19 1HE2 GLN 19 21.713 -4.528 -1.621 868 2HE2 GLN 19 2HE2 GLN 19 22.968 -5.220 -0.657 869 H ASP 20 H ASP 20 19.108 0.097 -1.248 870 HA ASP 20 HA ASP 20 20.000 2.124 0.527 871 1HB ASP 20 2HB ASP 20 19.740 1.781 -2.312 872 2HB ASP 20 1HB ASP 20 19.033 3.327 -1.853 873 H SER 21 H SER 21 16.923 1.197 -0.833 874 HA SER 21 HA SER 21 15.466 3.521 -0.149 875 1HB SER 21 2HB SER 21 13.724 2.436 -1.095 876 2HB SER 21 1HB SER 21 14.909 1.207 -1.534 877 HG SER 21 HG SER 21 14.274 -0.026 0.147 878 H VAL 22 H VAL 22 15.874 0.390 1.485 879 HA VAL 22 HA VAL 22 14.312 0.965 3.743 880 HB VAL 22 HB VAL 22 16.725 -0.840 3.505 881 1HG1 VAL 22 1HG1 VAL 22 16.017 -1.884 5.549 882 2HG1 VAL 22 2HG1 VAL 22 14.602 -0.837 5.644 883 3HG1 VAL 22 3HG1 VAL 22 16.217 -0.156 5.838 884 1HG2 VAL 22 1HG2 VAL 22 15.381 -2.438 2.678 885 2HG2 VAL 22 2HG2 VAL 22 14.319 -1.096 2.255 886 3HG2 VAL 22 3HG2 VAL 22 14.044 -2.003 3.741 887 H GLU 23 H GLU 23 17.676 1.623 2.970 888 HA GLU 23 HA GLU 23 18.495 2.493 5.523 889 1HB GLU 23 2HB GLU 23 19.518 3.126 2.752 890 2HB GLU 23 1HB GLU 23 20.299 3.709 4.217 891 1HG GLU 23 2HG GLU 23 20.552 1.339 4.942 892 2HG GLU 23 1HG GLU 23 19.937 0.847 3.366 893 H CYS 24 H CYS 24 16.898 4.111 2.842 894 HA CYS 24 HA CYS 24 17.161 6.740 3.944 895 1HB CYS 24 2HB CYS 24 16.630 5.985 1.481 896 2HB CYS 24 1HB CYS 24 14.962 5.996 2.044 897 HG CYS 24 HG CYS 24 14.993 8.387 1.557 898 H ALA 25 H ALA 25 14.824 4.143 4.146 899 HA ALA 25 HA ALA 25 12.808 5.665 5.499 900 1HB ALA 25 1HB ALA 25 11.762 3.500 5.938 901 2HB ALA 25 2HB ALA 25 13.221 2.671 5.398 902 3HB ALA 25 3HB ALA 25 12.265 3.608 4.251 903 H THR 26 H THR 26 15.545 3.699 6.311 904 HA THR 26 HA THR 26 15.105 3.570 9.111 905 HB THR 26 HB THR 26 17.592 3.229 7.434 906 HG1 THR 26 1HG THR 26 16.269 1.162 8.776 907 1HG2 THR 26 1HG2 THR 26 17.438 3.509 10.229 908 2HG2 THR 26 2HG2 THR 26 18.822 3.040 9.243 909 3HG2 THR 26 3HG2 THR 26 17.733 1.807 9.878 910 H GLN 27 H GLN 27 17.010 5.645 6.975 911 HA GLN 27 HA GLN 27 18.317 7.201 8.847 912 1HB GLN 27 2HB GLN 27 18.742 8.720 7.139 913 2HB GLN 27 1HB GLN 27 18.456 7.226 6.259 914 1HG GLN 27 2HG GLN 27 16.945 8.297 5.067 915 2HG GLN 27 1HG GLN 27 15.953 8.411 6.520 916 1HE2 GLN 27 1HE2 GLN 27 18.885 10.023 6.829 917 2HE2 GLN 27 2HE2 GLN 27 18.328 11.628 6.517 918 H ALA 28 H ALA 28 15.106 7.603 7.437 919 HA ALA 28 HA ALA 28 14.446 9.917 8.980 920 1HB ALA 28 1HB ALA 28 12.225 9.659 8.103 921 2HB ALA 28 2HB ALA 28 12.555 7.993 7.632 922 3HB ALA 28 3HB ALA 28 13.374 9.320 6.809 923 H LEU 29 H LEU 29 14.398 6.517 9.490 924 HA LEU 29 HA LEU 29 12.486 6.445 11.597 925 1HB LEU 29 2HB LEU 29 14.599 4.563 10.621 926 2HB LEU 29 1HB LEU 29 13.731 4.237 12.111 927 HG LEU 29 HG LEU 29 12.064 4.858 9.751 928 1HD1 LEU 29 1HD1 LEU 29 13.105 3.412 8.423 929 2HD1 LEU 29 2HD1 LEU 29 12.432 2.163 9.472 930 3HD1 LEU 29 3HD1 LEU 29 14.072 2.756 9.744 931 1HD2 LEU 29 1HD2 LEU 29 11.190 4.277 12.009 932 2HD2 LEU 29 2HD2 LEU 29 11.899 2.675 11.818 933 3HD2 LEU 29 3HD2 LEU 29 10.626 3.212 10.723 934 H GLU 30 H GLU 30 15.966 6.850 11.407 935 HA GLU 30 HA GLU 30 16.277 6.858 14.290 936 1HB GLU 30 2HB GLU 30 18.033 6.693 11.958 937 2HB GLU 30 1HB GLU 30 18.661 7.753 13.212 938 1HG GLU 30 2HG GLU 30 17.701 4.979 13.817 939 2HG GLU 30 1HG GLU 30 19.347 5.306 13.277 940 H LYS 31 H LYS 31 15.978 9.110 11.660 941 HA LYS 31 HA LYS 31 16.821 11.387 13.235 942 1HB LYS 31 2HB LYS 31 15.550 11.260 10.493 943 2HB LYS 31 1HB LYS 31 16.240 12.698 11.235 944 1HG LYS 31 2HG LYS 31 17.690 10.214 10.358 945 2HG LYS 31 1HG LYS 31 17.823 11.838 9.682 946 1HD LYS 31 2HD LYS 31 18.788 12.639 11.776 947 2HD LYS 31 1HD LYS 31 18.629 11.028 12.476 948 1HE LYS 31 2HE LYS 31 20.270 11.682 10.032 949 2HE LYS 31 1HE LYS 31 20.920 11.546 11.666 950 1HZ LYS 31 1HZ LYS 31 20.982 9.350 11.487 951 2HZ LYS 31 2HZ LYS 31 20.600 9.512 9.848 952 3HZ LYS 31 3HZ LYS 31 19.370 9.263 10.981 953 H TYR 32 H TYR 32 13.877 9.770 12.373 954 HA TYR 32 HA TYR 32 12.396 11.496 14.182 955 1HB TYR 32 2HB TYR 32 10.929 10.980 11.676 956 2HB TYR 32 1HB TYR 32 10.959 12.419 12.689 957 HD1 TYR 32 1HD TYR 32 13.120 10.546 10.287 958 HD2 TYR 32 2HD TYR 32 12.000 14.322 11.886 959 HE1 TYR 32 1HE TYR 32 14.558 11.657 8.637 960 HE2 TYR 32 2HE TYR 32 13.435 15.449 10.239 961 HH TYR 32 HH TYR 32 15.479 13.607 8.013 962 H ASN 33 H ASN 33 10.182 10.619 14.602 963 HA ASN 33 HA ASN 33 10.053 7.713 14.161 964 1HB ASN 33 2HB ASN 33 9.634 9.209 16.749 965 2HB ASN 33 1HB ASN 33 9.062 7.563 16.495 966 1HD2 ASN 33 1HD2 ASN 33 10.432 5.921 16.760 967 2HD2 ASN 33 2HD2 ASN 33 12.122 6.083 17.081 968 H ILE 34 H ILE 34 8.736 9.901 12.776 969 HA ILE 34 HA ILE 34 5.934 9.403 13.542 970 HB ILE 34 HB ILE 34 6.656 11.633 11.707 971 1HG1 ILE 34 2HG1 ILE 34 8.269 11.919 13.495 972 2HG1 ILE 34 1HG1 ILE 34 7.006 13.137 13.641 973 1HG2 ILE 34 1HG2 ILE 34 4.769 12.701 13.004 974 2HG2 ILE 34 2HG2 ILE 34 4.536 11.133 13.774 975 3HG2 ILE 34 3HG2 ILE 34 4.343 11.295 12.029 976 1HD1 ILE 34 1HD1 ILE 34 6.999 10.576 15.197 977 2HD1 ILE 34 2HD1 ILE 34 6.010 12.013 15.459 978 3HD1 ILE 34 3HD1 ILE 34 7.745 12.066 15.776 979 H GLU 35 H GLU 35 5.179 7.782 12.310 980 HA GLU 35 HA GLU 35 5.980 6.649 10.055 981 1HB GLU 35 2HB GLU 35 3.170 7.382 10.840 982 2HB GLU 35 1HB GLU 35 3.493 6.474 9.370 983 1HG GLU 35 2HG GLU 35 3.022 4.836 10.939 984 2HG GLU 35 1HG GLU 35 4.784 4.857 10.876 985 H LYS 36 H LYS 36 3.593 9.284 9.792 986 HA LYS 36 HA LYS 36 3.792 9.746 7.095 987 1HB LYS 36 2HB LYS 36 3.468 12.295 8.149 988 2HB LYS 36 1HB LYS 36 2.184 11.160 7.753 989 1HG LYS 36 2HG LYS 36 1.723 10.726 9.908 990 2HG LYS 36 1HG LYS 36 3.421 10.770 10.388 991 1HD LYS 36 2HD LYS 36 3.411 13.160 10.460 992 2HD LYS 36 1HD LYS 36 1.807 13.229 9.725 993 1HE LYS 36 2HE LYS 36 0.780 12.905 11.686 994 2HE LYS 36 1HE LYS 36 1.887 11.613 12.147 995 1HZ LYS 36 1HZ LYS 36 1.939 13.623 13.600 996 2HZ LYS 36 2HZ LYS 36 2.591 14.490 12.302 997 3HZ LYS 36 3HZ LYS 36 3.443 13.184 12.958 998 H ASP 37 H ASP 37 5.528 11.624 9.588 999 HA ASP 37 HA ASP 37 7.128 13.165 8.003 1000 1HB ASP 37 2HB ASP 37 7.366 12.047 10.724 1001 2HB ASP 37 1HB ASP 37 8.885 12.550 9.990 1002 H ILE 38 H ILE 38 8.249 10.088 9.408 1003 HA ILE 38 HA ILE 38 10.592 9.742 8.102 1004 HB ILE 38 HB ILE 38 8.666 7.444 8.338 1005 1HG1 ILE 38 2HG1 ILE 38 10.349 8.564 10.583 1006 2HG1 ILE 38 1HG1 ILE 38 8.634 8.912 10.393 1007 1HG2 ILE 38 1HG2 ILE 38 11.417 7.109 9.229 1008 2HG2 ILE 38 2HG2 ILE 38 11.290 7.575 7.533 1009 3HG2 ILE 38 3HG2 ILE 38 10.459 6.133 8.116 1010 1HD1 ILE 38 1HD1 ILE 38 8.001 6.796 10.988 1011 2HD1 ILE 38 2HD1 ILE 38 9.448 7.004 11.974 1012 3HD1 ILE 38 3HD1 ILE 38 9.528 6.077 10.476 1013 H ALA 39 H ALA 39 7.395 8.891 6.810 1014 HA ALA 39 HA ALA 39 8.320 7.873 4.347 1015 1HB ALA 39 1HB ALA 39 5.714 9.032 4.075 1016 2HB ALA 39 2HB ALA 39 5.841 8.199 5.624 1017 3HB ALA 39 3HB ALA 39 6.179 7.331 4.125 1018 H ALA 40 H ALA 40 7.247 11.099 5.338 1019 HA ALA 40 HA ALA 40 7.260 12.335 2.839 1020 1HB ALA 40 1HB ALA 40 6.403 13.865 4.217 1021 2HB ALA 40 2HB ALA 40 8.070 14.319 4.572 1022 3HB ALA 40 3HB ALA 40 7.222 13.181 5.620 1023 H HIS 41 H HIS 41 9.847 12.453 5.306 1024 HA HIS 41 HA HIS 41 11.759 13.744 3.776 1025 1HB HIS 41 2HB HIS 41 12.810 11.627 5.543 1026 2HB HIS 41 1HB HIS 41 13.167 13.351 5.511 1027 HD1 HIS 41 1HD HIS 41 12.387 11.414 8.023 1028 HD2 HIS 41 2HD HIS 41 10.067 14.357 6.226 1029 HE1 HIS 41 1HE HIS 41 10.711 12.109 9.766 1030 HE2 HIS 41 2HE HIS 41 9.267 13.832 8.628 1031 H ILE 42 H ILE 42 11.409 10.228 4.250 1032 HA ILE 42 HA ILE 42 13.407 9.289 2.653 1033 HB ILE 42 HB ILE 42 10.609 8.165 2.820 1034 1HG1 ILE 42 2HG1 ILE 42 12.990 7.182 4.361 1035 2HG1 ILE 42 1HG1 ILE 42 12.060 8.553 4.954 1036 1HG2 ILE 42 1HG2 ILE 42 11.795 7.224 0.939 1037 2HG2 ILE 42 2HG2 ILE 42 11.675 6.023 2.225 1038 3HG2 ILE 42 3HG2 ILE 42 13.194 6.878 1.955 1039 1HD1 ILE 42 1HD1 ILE 42 10.762 7.061 5.958 1040 2HD1 ILE 42 2HD1 ILE 42 11.460 5.726 5.044 1041 3HD1 ILE 42 3HD1 ILE 42 10.137 6.667 4.357 1042 H LYS 43 H LYS 43 10.064 9.503 1.440 1043 HA LYS 43 HA LYS 43 10.535 9.154 -1.219 1044 1HB LYS 43 2HB LYS 43 8.285 9.298 -0.464 1045 2HB LYS 43 1HB LYS 43 8.520 10.928 0.151 1046 1HG LYS 43 2HG LYS 43 8.897 10.416 -2.758 1047 2HG LYS 43 1HG LYS 43 7.261 10.516 -2.100 1048 1HD LYS 43 2HD LYS 43 7.565 12.731 -1.386 1049 2HD LYS 43 1HD LYS 43 9.320 12.628 -1.537 1050 1HE LYS 43 2HE LYS 43 8.557 12.097 -4.080 1051 2HE LYS 43 1HE LYS 43 7.272 13.191 -3.572 1052 1HZ LYS 43 1HZ LYS 43 9.591 14.350 -2.677 1053 2HZ LYS 43 2HZ LYS 43 8.677 14.831 -4.016 1054 3HZ LYS 43 3HZ LYS 43 9.982 13.774 -4.219 1055 H LYS 44 H LYS 44 10.990 12.103 0.644 1056 HA LYS 44 HA LYS 44 11.432 13.836 -1.542 1057 1HB LYS 44 2HB LYS 44 11.072 14.269 1.064 1058 2HB LYS 44 1HB LYS 44 12.829 14.332 1.039 1059 1HG LYS 44 2HG LYS 44 11.699 15.898 -1.105 1060 2HG LYS 44 1HG LYS 44 11.069 16.399 0.465 1061 1HD LYS 44 2HD LYS 44 13.014 17.690 0.113 1062 2HD LYS 44 1HD LYS 44 13.475 16.432 1.262 1063 1HE LYS 44 2HE LYS 44 13.889 15.451 -1.380 1064 2HE LYS 44 1HE LYS 44 14.641 17.042 -1.246 1065 1HZ LYS 44 1HZ LYS 44 15.327 14.547 0.080 1066 2HZ LYS 44 2HZ LYS 44 15.450 15.944 1.024 1067 3HZ LYS 44 3HZ LYS 44 16.325 15.820 -0.418 1068 H GLU 45 H GLU 45 13.689 12.111 0.585 1069 HA GLU 45 HA GLU 45 16.038 12.977 -0.717 1070 1HB GLU 45 2HB GLU 45 15.330 11.117 1.396 1071 2HB GLU 45 1HB GLU 45 16.616 10.475 0.382 1072 1HG GLU 45 2HG GLU 45 16.858 13.277 1.317 1073 2HG GLU 45 1HG GLU 45 17.103 11.986 2.492 1074 H PHE 46 H PHE 46 13.896 10.240 -1.235 1075 HA PHE 46 HA PHE 46 15.578 8.853 -3.049 1076 1HB PHE 46 2HB PHE 46 12.929 8.543 -1.955 1077 2HB PHE 46 1HB PHE 46 12.910 8.233 -3.687 1078 HD1 PHE 46 1HD PHE 46 13.328 6.091 -4.390 1079 HD2 PHE 46 2HD PHE 46 14.971 7.409 -0.692 1080 HE1 PHE 46 1HE PHE 46 14.239 3.840 -3.997 1081 HE2 PHE 46 2HE PHE 46 15.886 5.161 -0.294 1082 HZ PHE 46 HZ PHE 46 15.521 3.374 -1.945 1083 H ASP 47 H ASP 47 13.017 11.251 -3.465 1084 HA ASP 47 HA ASP 47 12.944 11.117 -6.291 1085 1HB ASP 47 2HB ASP 47 11.261 12.598 -6.093 1086 2HB ASP 47 1HB ASP 47 11.436 12.365 -4.358 1087 H LYS 48 H LYS 48 14.783 13.088 -4.011 1088 HA LYS 48 HA LYS 48 15.990 14.660 -6.104 1089 1HB LYS 48 2HB LYS 48 16.038 14.607 -3.156 1090 2HB LYS 48 1HB LYS 48 17.529 15.145 -3.916 1091 1HG LYS 48 2HG LYS 48 15.112 16.360 -5.030 1092 2HG LYS 48 1HG LYS 48 15.403 16.735 -3.330 1093 1HD LYS 48 2HD LYS 48 16.502 18.422 -4.572 1094 2HD LYS 48 1HD LYS 48 17.768 17.333 -4.001 1095 1HE LYS 48 2HE LYS 48 18.299 17.753 -6.247 1096 2HE LYS 48 1HE LYS 48 17.546 16.159 -6.249 1097 1HZ LYS 48 1HZ LYS 48 15.413 17.404 -6.780 1098 2HZ LYS 48 2HZ LYS 48 16.562 17.292 -8.016 1099 3HZ LYS 48 3HZ LYS 48 16.398 18.730 -7.143 1100 H LYS 49 H LYS 49 16.815 11.830 -4.217 1101 HA LYS 49 HA LYS 49 19.541 11.799 -5.219 1102 1HB LYS 49 2HB LYS 49 18.042 10.435 -3.099 1103 2HB LYS 49 1HB LYS 49 19.177 9.396 -3.947 1104 1HG LYS 49 2HG LYS 49 20.397 11.923 -3.311 1105 2HG LYS 49 1HG LYS 49 19.728 11.163 -1.865 1106 1HD LYS 49 2HD LYS 49 22.036 10.470 -2.208 1107 2HD LYS 49 1HD LYS 49 20.942 9.099 -2.400 1108 1HE LYS 49 2HE LYS 49 21.112 9.206 -4.781 1109 2HE LYS 49 1HE LYS 49 21.986 10.735 -4.704 1110 1HZ LYS 49 1HZ LYS 49 23.129 8.298 -4.891 1111 2HZ LYS 49 2HZ LYS 49 23.240 8.602 -3.231 1112 3HZ LYS 49 3HZ LYS 49 23.910 9.693 -4.336 1113 H TYR 50 H TYR 50 16.509 10.675 -6.227 1114 HA TYR 50 HA TYR 50 17.810 8.764 -8.053 1115 1HB TYR 50 2HB TYR 50 15.069 8.567 -6.795 1116 2HB TYR 50 1HB TYR 50 15.658 7.500 -8.065 1117 HD1 TYR 50 1HD TYR 50 15.768 8.298 -4.523 1118 HD2 TYR 50 2HD TYR 50 17.510 5.920 -7.593 1119 HE1 TYR 50 1HE TYR 50 16.769 6.837 -2.817 1120 HE2 TYR 50 2HE TYR 50 18.514 4.453 -5.895 1121 HH TYR 50 HH TYR 50 18.160 3.820 -3.566 1122 H ASN 51 H ASN 51 14.547 10.190 -7.867 1123 HA ASN 51 HA ASN 51 14.554 12.126 -9.710 1124 1HB ASN 51 2HB ASN 51 15.675 10.525 -11.270 1125 2HB ASN 51 1HB ASN 51 14.232 9.515 -11.212 1126 1HD2 ASN 51 1HD2 ASN 51 14.085 12.988 -11.137 1127 2HD2 ASN 51 2HD2 ASN 51 13.411 13.195 -12.715 1128 HA PRO 52 HA PRO 52 10.464 11.772 -7.889 1129 1HB PRO 52 2HB PRO 52 10.062 13.761 -10.089 1130 2HB PRO 52 1HB PRO 52 9.464 13.792 -8.425 1131 1HG PRO 52 2HG PRO 52 11.569 15.255 -9.126 1132 2HG PRO 52 1HG PRO 52 11.518 14.427 -7.558 1133 1HD PRO 52 2HD PRO 52 13.092 13.778 -9.989 1134 2HD PRO 52 1HD PRO 52 13.461 13.457 -8.284 1135 H THR 53 H THR 53 8.240 10.102 -10.063 1136 HA THR 53 HA THR 53 8.970 11.436 -7.549 1137 HB THR 53 HB THR 53 6.970 12.378 -8.876 1138 HG1 THR 53 1HG THR 53 5.725 12.107 -6.655 1139 1HG2 THR 53 1HG2 THR 53 5.165 10.528 -7.566 1140 2HG2 THR 53 2HG2 THR 53 6.106 9.776 -8.855 1141 3HG2 THR 53 3HG2 THR 53 5.123 11.199 -9.197 1142 H TRP 54 H TRP 54 9.032 10.202 -5.781 1143 HA TRP 54 HA TRP 54 8.381 7.376 -6.099 1144 1HB TRP 54 2HB TRP 54 9.937 8.816 -3.947 1145 2HB TRP 54 1HB TRP 54 9.691 7.075 -4.019 1146 HD1 TRP 54 HD TRP 54 11.310 9.868 -6.163 1147 HE1 TRP 54 1HE TRP 54 13.317 8.848 -7.403 1148 HE3 TRP 54 3HE TRP 54 10.795 5.008 -4.670 1149 HZ2 TRP 54 2HZ TRP 54 14.530 6.309 -7.705 1150 HZ3 TRP 54 3HZ TRP 54 12.416 3.344 -5.477 1151 HH2 TRP 54 HH TRP 54 14.243 3.981 -6.963 1152 H HIS 55 H HIS 55 6.670 6.470 -5.217 1153 HA HIS 55 HA HIS 55 5.094 7.990 -3.266 1154 1HB HIS 55 2HB HIS 55 4.128 5.414 -4.434 1155 2HB HIS 55 1HB HIS 55 3.216 6.857 -4.004 1156 HD1 HIS 55 1HD HIS 55 5.804 8.168 -5.964 1157 HD2 HIS 55 2HD HIS 55 2.407 5.944 -6.848 1158 HE1 HIS 55 1HE HIS 55 5.355 8.571 -8.405 1159 HE2 HIS 55 2HE HIS 55 3.270 7.246 -8.910 1160 H CYS 56 H CYS 56 6.203 7.599 -1.385 1161 HA CYS 56 HA CYS 56 6.562 4.779 -0.646 1162 1HB CYS 56 2HB CYS 56 7.949 6.971 0.826 1163 2HB CYS 56 1HB CYS 56 8.473 5.319 0.518 1164 HG CYS 56 HG CYS 56 9.459 7.578 -0.993 1165 H ILE 57 H ILE 57 6.563 4.419 1.735 1166 HA ILE 57 HA ILE 57 4.869 6.104 3.337 1167 HB ILE 57 HB ILE 57 3.887 3.410 2.412 1168 1HG1 ILE 57 2HG1 ILE 57 2.827 6.231 2.169 1169 2HG1 ILE 57 1HG1 ILE 57 3.390 5.193 0.864 1170 1HG2 ILE 57 1HG2 ILE 57 2.051 3.655 3.964 1171 2HG2 ILE 57 2HG2 ILE 57 2.692 5.197 4.529 1172 3HG2 ILE 57 3HG2 ILE 57 3.576 3.704 4.846 1173 1HD1 ILE 57 1HD1 ILE 57 1.074 5.140 0.725 1174 2HD1 ILE 57 2HD1 ILE 57 0.882 4.983 2.470 1175 3HD1 ILE 57 3HD1 ILE 57 1.504 3.630 1.525 1176 H VAL 58 H VAL 58 4.629 5.208 5.561 1177 HA VAL 58 HA VAL 58 6.308 2.987 6.287 1178 HB VAL 58 HB VAL 58 8.087 4.527 6.119 1179 1HG1 VAL 58 1HG1 VAL 58 6.307 6.465 7.579 1180 2HG1 VAL 58 2HG1 VAL 58 6.906 6.587 5.923 1181 3HG1 VAL 58 3HG1 VAL 58 8.024 6.735 7.280 1182 1HG2 VAL 58 1HG2 VAL 58 7.586 4.896 9.017 1183 2HG2 VAL 58 2HG2 VAL 58 9.012 4.284 8.180 1184 3HG2 VAL 58 3HG2 VAL 58 7.605 3.243 8.403 1185 H GLY 59 H GLY 59 5.119 1.985 7.737 1186 1HA GLY 59 2HA GLY 59 4.020 3.521 9.977 1187 2HA GLY 59 1HA GLY 59 2.923 2.515 9.041 1188 H ARG 60 H ARG 60 2.427 0.863 10.357 1189 HA ARG 60 HA ARG 60 4.334 -1.133 10.912 1190 1HB ARG 60 2HB ARG 60 4.070 -0.944 13.440 1191 2HB ARG 60 1HB ARG 60 5.156 0.191 12.649 1192 1HG ARG 60 2HG ARG 60 3.123 1.768 12.610 1193 2HG ARG 60 1HG ARG 60 2.456 0.682 13.830 1194 1HD ARG 60 2HD ARG 60 5.196 1.885 14.089 1195 2HD ARG 60 1HD ARG 60 3.751 2.723 14.653 1196 HE ARG 60 HE ARG 60 4.167 0.014 15.629 1197 1HH1 ARG 60 1HH1 ARG 60 4.426 3.438 16.210 1198 2HH1 ARG 60 2HH1 ARG 60 4.535 3.269 17.930 1199 1HH2 ARG 60 1HH2 ARG 60 4.311 -0.221 17.891 1200 2HH2 ARG 60 2HH2 ARG 60 4.469 1.188 18.886 1201 H ASN 61 H ASN 61 1.371 -0.250 10.218 1202 HA ASN 61 HA ASN 61 0.208 -2.760 10.742 1203 1HB ASN 61 2HB ASN 61 0.145 -1.096 12.971 1204 2HB ASN 61 1HB ASN 61 -1.459 -0.925 12.263 1205 1HD2 ASN 61 1HD2 ASN 61 -1.167 -3.682 11.115 1206 2HD2 ASN 61 2HD2 ASN 61 -1.520 -4.738 12.436 1207 H PHE 62 H PHE 62 0.521 -0.840 8.592 1208 HA PHE 62 HA PHE 62 -2.258 -0.065 8.057 1209 1HB PHE 62 2HB PHE 62 -1.414 1.442 6.403 1210 2HB PHE 62 1HB PHE 62 -0.425 1.646 7.844 1211 HD1 PHE 62 1HD PHE 62 -0.372 1.225 4.371 1212 HD2 PHE 62 2HD PHE 62 1.744 0.155 7.905 1213 HE1 PHE 62 1HE PHE 62 1.648 0.810 3.030 1214 HE2 PHE 62 2HE PHE 62 3.770 -0.260 6.570 1215 HZ PHE 62 HZ PHE 62 3.723 0.068 4.129 1216 H GLY 63 H GLY 63 -2.922 -0.260 5.713 1217 1HA GLY 63 2HA GLY 63 -1.986 -2.846 4.626 1218 2HA GLY 63 1HA GLY 63 -3.679 -2.371 4.632 1219 H SER 64 H SER 64 -0.509 -1.630 3.290 1220 HA SER 64 HA SER 64 -1.518 0.251 1.383 1221 1HB SER 64 2HB SER 64 0.822 -0.068 0.372 1222 2HB SER 64 1HB SER 64 0.732 0.588 2.007 1223 HG SER 64 HG SER 64 2.289 -1.112 1.768 1224 H TYR 65 H TYR 65 -2.480 -0.162 -0.475 1225 HA TYR 65 HA TYR 65 -1.894 -2.674 -1.876 1226 1HB TYR 65 2HB TYR 65 -4.119 -2.629 -0.509 1227 2HB TYR 65 1HB TYR 65 -4.697 -1.602 -1.818 1228 HD1 TYR 65 1HD TYR 65 -3.253 -4.944 -1.087 1229 HD2 TYR 65 2HD TYR 65 -5.423 -2.542 -3.848 1230 HE1 TYR 65 1HE TYR 65 -3.761 -6.947 -2.421 1231 HE2 TYR 65 2HE TYR 65 -5.937 -4.538 -5.190 1232 HH TYR 65 HH TYR 65 -4.394 -7.550 -4.669 1233 H VAL 66 H VAL 66 -0.518 -0.948 -2.942 1234 HA VAL 66 HA VAL 66 -2.085 0.494 -4.980 1235 HB VAL 66 HB VAL 66 -0.375 2.133 -5.130 1236 1HG1 VAL 66 1HG1 VAL 66 -1.737 2.702 -3.333 1237 2HG1 VAL 66 2HG1 VAL 66 -0.113 2.806 -2.653 1238 3HG1 VAL 66 3HG1 VAL 66 -1.118 1.395 -2.324 1239 1HG2 VAL 66 1HG2 VAL 66 1.267 0.057 -3.855 1240 2HG2 VAL 66 2HG2 VAL 66 1.579 1.700 -3.298 1241 3HG2 VAL 66 3HG2 VAL 66 1.717 1.310 -5.012 1242 H THR 67 H THR 67 -1.323 0.519 -7.128 1243 HA THR 67 HA THR 67 0.096 -1.901 -7.881 1244 HB THR 67 HB THR 67 -1.402 0.201 -9.437 1245 HG1 THR 67 1HG THR 67 -1.999 -2.191 -8.358 1246 1HG2 THR 67 1HG2 THR 67 0.722 -1.150 -10.517 1247 2HG2 THR 67 2HG2 THR 67 -0.637 -0.468 -11.409 1248 3HG2 THR 67 3HG2 THR 67 -0.654 -2.168 -10.940 1249 H HIS 68 H HIS 68 2.243 -1.596 -7.445 1250 HA HIS 68 HA HIS 68 3.694 0.759 -7.917 1251 1HB HIS 68 2HB HIS 68 5.701 -0.727 -7.775 1252 2HB HIS 68 1HB HIS 68 4.577 -0.913 -6.434 1253 HD1 HIS 68 1HD HIS 68 2.651 -2.953 -7.244 1254 HD2 HIS 68 2HD HIS 68 6.621 -3.163 -8.454 1255 HE1 HIS 68 1HE HIS 68 3.053 -5.369 -7.817 1256 HE2 HIS 68 2HE HIS 68 5.460 -5.472 -8.555 1257 H GLU 69 H GLU 69 5.399 1.105 -9.504 1258 HA GLU 69 HA GLU 69 5.248 -0.371 -11.992 1259 1HB GLU 69 2HB GLU 69 5.036 2.108 -13.060 1260 2HB GLU 69 1HB GLU 69 3.673 1.024 -12.823 1261 1HG GLU 69 2HG GLU 69 3.724 2.231 -10.424 1262 2HG GLU 69 1HG GLU 69 4.375 3.521 -11.435 1263 H THR 70 H THR 70 6.635 1.245 -13.665 1264 HA THR 70 HA THR 70 8.794 1.767 -14.200 1265 HB THR 70 HB THR 70 8.732 3.150 -11.509 1266 HG1 THR 70 1HG THR 70 7.758 3.927 -14.045 1267 1HG2 THR 70 1HG2 THR 70 10.072 4.559 -13.626 1268 2HG2 THR 70 2HG2 THR 70 10.814 2.986 -13.339 1269 3HG2 THR 70 3HG2 THR 70 10.644 4.136 -12.013 1270 H LYS 71 H LYS 71 10.335 2.247 -11.321 1271 HA LYS 71 HA LYS 71 11.876 -0.150 -11.566 1272 1HB LYS 71 2HB LYS 71 11.878 1.919 -9.361 1273 2HB LYS 71 1HB LYS 71 13.107 0.687 -9.618 1274 1HG LYS 71 2HG LYS 71 12.494 2.593 -11.820 1275 2HG LYS 71 1HG LYS 71 13.468 3.136 -10.452 1276 1HD LYS 71 2HD LYS 71 15.095 1.423 -10.849 1277 2HD LYS 71 1HD LYS 71 14.071 0.664 -12.069 1278 1HE LYS 71 2HE LYS 71 14.323 2.555 -13.532 1279 2HE LYS 71 1HE LYS 71 15.197 3.452 -12.290 1280 1HZ LYS 71 1HZ LYS 71 16.743 1.337 -12.440 1281 2HZ LYS 71 2HZ LYS 71 16.939 2.656 -13.479 1282 3HZ LYS 71 3HZ LYS 71 16.117 1.278 -14.011 1283 H HIS 72 H HIS 72 9.064 -0.534 -11.060 1284 HA HIS 72 HA HIS 72 7.700 -1.890 -9.856 1285 1HB HIS 72 2HB HIS 72 10.306 -2.852 -8.657 1286 2HB HIS 72 1HB HIS 72 8.751 -3.661 -8.491 1287 HD1 HIS 72 1HD HIS 72 8.075 -5.231 -10.328 1288 HD2 HIS 72 2HD HIS 72 11.348 -2.886 -11.357 1289 HE1 HIS 72 1HE HIS 72 8.917 -6.169 -12.504 1290 HE2 HIS 72 2HE HIS 72 10.835 -4.672 -13.157 1291 H PHE 73 H PHE 73 9.961 -1.922 -7.212 1292 HA PHE 73 HA PHE 73 9.485 0.257 -5.715 1293 1HB PHE 73 2HB PHE 73 7.476 0.054 -4.501 1294 2HB PHE 73 1HB PHE 73 7.016 -0.317 -6.158 1295 HD1 PHE 73 1HD PHE 73 5.894 -1.117 -3.249 1296 HD2 PHE 73 2HD PHE 73 8.012 -3.109 -6.355 1297 HE1 PHE 73 1HE PHE 73 4.960 -3.268 -2.501 1298 HE2 PHE 73 2HE PHE 73 7.083 -5.263 -5.614 1299 HZ PHE 73 HZ PHE 73 5.555 -5.345 -3.685 1300 H ILE 74 H ILE 74 8.741 -0.750 -3.188 1301 HA ILE 74 HA ILE 74 10.106 -3.176 -2.602 1302 HB ILE 74 HB ILE 74 12.018 -1.557 -2.985 1303 1HG1 ILE 74 2HG1 ILE 74 11.549 -3.243 -0.569 1304 2HG1 ILE 74 1HG1 ILE 74 12.689 -3.464 -1.885 1305 1HG2 ILE 74 1HG2 ILE 74 10.672 0.271 -1.699 1306 2HG2 ILE 74 2HG2 ILE 74 12.431 0.214 -1.570 1307 3HG2 ILE 74 3HG2 ILE 74 11.429 -0.446 -0.277 1308 1HD1 ILE 74 1HD1 ILE 74 13.973 -1.515 -0.865 1309 2HD1 ILE 74 2HD1 ILE 74 13.994 -3.054 -0.003 1310 3HD1 ILE 74 3HD1 ILE 74 12.949 -1.747 0.553 1311 H TYR 75 H TYR 75 8.760 -3.960 -1.135 1312 HA TYR 75 HA TYR 75 7.728 -2.142 0.936 1313 1HB TYR 75 2HB TYR 75 6.067 -3.303 -0.589 1314 2HB TYR 75 1HB TYR 75 6.554 -4.816 0.169 1315 HD1 TYR 75 1HD TYR 75 5.949 -1.443 1.642 1316 HD2 TYR 75 2HD TYR 75 4.758 -5.524 1.464 1317 HE1 TYR 75 1HE TYR 75 4.340 -1.046 3.457 1318 HE2 TYR 75 2HE TYR 75 3.143 -5.138 3.278 1319 HH TYR 75 HH TYR 75 1.941 -3.347 4.328 1320 H PHE 76 H PHE 76 9.228 -2.285 2.519 1321 HA PHE 76 HA PHE 76 9.805 -4.972 3.585 1322 1HB PHE 76 2HB PHE 76 11.889 -3.834 4.545 1323 2HB PHE 76 1HB PHE 76 11.867 -4.135 2.810 1324 HD1 PHE 76 1HD PHE 76 11.119 -2.191 1.305 1325 HD2 PHE 76 2HD PHE 76 12.322 -1.712 5.357 1326 HE1 PHE 76 1HE PHE 76 11.568 0.191 0.885 1327 HE2 PHE 76 2HE PHE 76 12.773 0.672 4.946 1328 HZ PHE 76 HZ PHE 76 12.397 1.625 2.707 1329 H TYR 77 H TYR 77 10.453 -4.889 5.952 1330 HA TYR 77 HA TYR 77 8.880 -2.897 7.432 1331 1HB TYR 77 2HB TYR 77 7.579 -5.000 7.239 1332 2HB TYR 77 1HB TYR 77 8.903 -5.870 8.004 1333 HD1 TYR 77 1HD TYR 77 5.952 -3.890 8.528 1334 HD2 TYR 77 2HD TYR 77 9.519 -5.275 10.386 1335 HE1 TYR 77 1HE TYR 77 4.988 -3.392 10.735 1336 HE2 TYR 77 2HE TYR 77 8.565 -4.783 12.599 1337 HH TYR 77 HH TYR 77 6.575 -4.360 13.692 1338 H LEU 78 H LEU 78 10.273 -1.814 8.663 1339 HA LEU 78 HA LEU 78 12.833 -2.824 9.380 1340 1HB LEU 78 2HB LEU 78 11.286 -0.387 10.240 1341 2HB LEU 78 1HB LEU 78 12.884 -0.750 10.860 1342 HG LEU 78 HG LEU 78 12.702 0.921 8.933 1343 1HD1 LEU 78 1HD1 LEU 78 14.563 -1.409 9.051 1344 2HD1 LEU 78 2HD1 LEU 78 14.855 0.285 9.446 1345 3HD1 LEU 78 3HD1 LEU 78 14.715 -0.217 7.760 1346 1HD2 LEU 78 1HD2 LEU 78 12.960 -0.835 6.794 1347 2HD2 LEU 78 2HD2 LEU 78 11.607 0.246 7.123 1348 3HD2 LEU 78 3HD2 LEU 78 11.560 -1.421 7.692 1349 H GLY 79 H GLY 79 13.585 -2.712 11.733 1350 1HA GLY 79 2HA GLY 79 12.917 -4.708 13.275 1351 2HA GLY 79 1HA GLY 79 13.209 -3.146 14.021 1352 H GLN 80 H GLN 80 10.950 -1.736 13.361 1353 HA GLN 80 HA GLN 80 8.656 -3.348 14.167 1354 1HB GLN 80 2HB GLN 80 9.348 -0.843 15.698 1355 2HB GLN 80 1HB GLN 80 8.101 -2.026 16.068 1356 1HG GLN 80 2HG GLN 80 10.543 -3.420 16.013 1357 2HG GLN 80 1HG GLN 80 10.817 -1.938 16.929 1358 1HE2 GLN 80 1HE2 GLN 80 10.641 -4.793 17.742 1359 2HE2 GLN 80 2HE2 GLN 80 9.451 -4.828 18.995 1360 H VAL 81 H VAL 81 9.445 -1.881 11.752 1361 HA VAL 81 HA VAL 81 7.030 -0.252 11.507 1362 HB VAL 81 HB VAL 81 9.776 0.730 10.718 1363 1HG1 VAL 81 1HG1 VAL 81 8.039 1.268 9.041 1364 2HG1 VAL 81 2HG1 VAL 81 8.689 2.699 9.842 1365 3HG1 VAL 81 3HG1 VAL 81 7.107 2.072 10.305 1366 1HG2 VAL 81 1HG2 VAL 81 8.780 0.872 13.164 1367 2HG2 VAL 81 2HG2 VAL 81 7.921 2.250 12.475 1368 3HG2 VAL 81 3HG2 VAL 81 9.685 2.210 12.456 1369 H ALA 82 H ALA 82 6.697 0.395 9.141 1370 HA ALA 82 HA ALA 82 7.771 -1.617 7.294 1371 1HB ALA 82 1HB ALA 82 5.071 -1.237 6.578 1372 2HB ALA 82 2HB ALA 82 5.097 -1.567 8.311 1373 3HB ALA 82 3HB ALA 82 5.838 -2.705 7.185 1374 H ILE 83 H ILE 83 8.458 -0.707 5.463 1375 HA ILE 83 HA ILE 83 7.433 1.973 4.803 1376 HB ILE 83 HB ILE 83 10.000 1.152 3.612 1377 1HG1 ILE 83 2HG1 ILE 83 10.087 0.279 5.989 1378 2HG1 ILE 83 1HG1 ILE 83 11.322 1.463 5.578 1379 1HG2 ILE 83 1HG2 ILE 83 8.809 3.631 4.809 1380 2HG2 ILE 83 2HG2 ILE 83 9.288 3.329 3.139 1381 3HG2 ILE 83 3HG2 ILE 83 10.519 3.533 4.386 1382 1HD1 ILE 83 1HD1 ILE 83 10.606 2.111 7.684 1383 2HD1 ILE 83 2HD1 ILE 83 8.912 1.783 7.317 1384 3HD1 ILE 83 3HD1 ILE 83 9.714 3.182 6.603 1385 H LEU 84 H LEU 84 6.339 2.186 3.007 1386 HA LEU 84 HA LEU 84 6.515 0.097 0.949 1387 1HB LEU 84 2HB LEU 84 4.294 0.092 1.390 1388 2HB LEU 84 1HB LEU 84 4.323 1.703 2.078 1389 HG LEU 84 HG LEU 84 4.539 2.478 -0.408 1390 1HD1 LEU 84 1HD1 LEU 84 4.854 0.116 -1.201 1391 2HD1 LEU 84 2HD1 LEU 84 3.599 1.035 -2.034 1392 3HD1 LEU 84 3HD1 LEU 84 3.156 -0.160 -0.815 1393 1HD2 LEU 84 1HD2 LEU 84 2.503 3.223 0.067 1394 2HD2 LEU 84 2HD2 LEU 84 2.374 2.039 1.367 1395 3HD2 LEU 84 3HD2 LEU 84 1.830 1.626 -0.259 1396 H LEU 85 H LEU 85 8.229 0.860 -0.264 1397 HA LEU 85 HA LEU 85 8.068 3.603 -1.295 1398 1HB LEU 85 2HB LEU 85 10.201 1.937 -0.465 1399 2HB LEU 85 1HB LEU 85 10.394 2.193 -2.189 1400 HG LEU 85 HG LEU 85 10.111 4.697 -1.651 1401 1HD1 LEU 85 1HD1 LEU 85 9.404 3.967 0.768 1402 2HD1 LEU 85 2HD1 LEU 85 10.323 5.447 0.499 1403 3HD1 LEU 85 3HD1 LEU 85 11.145 3.986 1.047 1404 1HD2 LEU 85 1HD2 LEU 85 12.208 3.816 -2.397 1405 2HD2 LEU 85 2HD2 LEU 85 12.536 3.118 -0.810 1406 3HD2 LEU 85 3HD2 LEU 85 12.517 4.869 -1.016 1407 H PHE 86 H PHE 86 7.316 3.979 -3.251 1408 HA PHE 86 HA PHE 86 7.916 2.285 -5.477 1409 1HB PHE 86 2HB PHE 86 5.789 1.419 -5.989 1410 2HB PHE 86 1HB PHE 86 5.977 1.133 -4.263 1411 HD1 PHE 86 1HD PHE 86 4.133 2.914 -6.829 1412 HD2 PHE 86 2HD PHE 86 4.722 2.473 -2.638 1413 HE1 PHE 86 1HE PHE 86 2.011 4.088 -6.413 1414 HE2 PHE 86 2HE PHE 86 2.602 3.648 -2.214 1415 HZ PHE 86 HZ PHE 86 1.244 4.457 -4.102 1416 H LYS 87 H LYS 87 8.364 3.723 -6.993 1417 HA LYS 87 HA LYS 87 6.813 6.221 -7.129 1418 1HB LYS 87 2HB LYS 87 8.739 6.992 -8.579 1419 2HB LYS 87 1HB LYS 87 9.123 6.700 -6.888 1420 1HG LYS 87 2HG LYS 87 10.311 4.762 -7.363 1421 2HG LYS 87 1HG LYS 87 9.557 4.574 -8.947 1422 1HD LYS 87 2HD LYS 87 11.279 6.949 -8.326 1423 2HD LYS 87 1HD LYS 87 11.991 5.416 -8.832 1424 1HE LYS 87 2HE LYS 87 10.085 5.682 -10.709 1425 2HE LYS 87 1HE LYS 87 10.413 7.381 -10.371 1426 1HZ LYS 87 1HZ LYS 87 12.864 6.063 -10.585 1427 2HZ LYS 87 2HZ LYS 87 12.214 7.229 -11.625 1428 3HZ LYS 87 3HZ LYS 87 11.924 5.588 -11.910 1429 H SER 88 H SER 88 6.265 7.056 -9.258 1430 HA SER 88 HA SER 88 5.461 4.892 -11.046 1431 1HB SER 88 2HB SER 88 4.365 7.477 -10.303 1432 2HB SER 88 1HB SER 88 4.420 7.268 -12.053 1433 HG SER 88 HG SER 88 2.601 6.249 -11.648 1434 H GLY 89 H GLY 89 8.176 6.165 -10.801 1435 1HA GLY 89 2HA GLY 89 9.931 6.521 -12.249 1436 2HA GLY 89 1HA GLY 89 8.853 6.066 -13.559 Start of MODEL 19 1 1H MET 1 1HT MET 1 -24.586 3.412 0.278 2 2H MET 1 2HT MET 1 -25.204 2.405 -0.966 3 3H MET 1 3HT MET 1 -23.538 2.814 -0.939 4 HA MET 1 HA MET 1 -25.030 1.079 0.899 5 1HB MET 1 2HB MET 1 -22.628 0.692 -0.900 6 2HB MET 1 1HB MET 1 -23.296 -0.537 0.166 7 1HG MET 1 2HG MET 1 -24.829 -1.110 -1.323 8 2HG MET 1 1HG MET 1 -25.331 0.563 -1.552 9 1HE MET 1 1HE MET 1 -24.704 -0.919 -5.173 10 2HE MET 1 2HE MET 1 -25.823 0.093 -4.258 11 3HE MET 1 3HE MET 1 -25.505 -1.563 -3.739 12 H CYS 2 H CYS 2 -24.425 1.108 2.958 13 HA CYS 2 HA CYS 2 -23.204 1.395 4.857 14 1HB CYS 2 2HB CYS 2 -21.533 0.051 3.375 15 2HB CYS 2 1HB CYS 2 -20.686 1.588 3.232 16 HG CYS 2 HG CYS 2 -21.157 0.855 6.128 17 H ASP 3 H ASP 3 -22.059 3.019 6.081 18 HA ASP 3 HA ASP 3 -22.489 5.665 4.986 19 1HB ASP 3 2HB ASP 3 -21.530 4.799 7.724 20 2HB ASP 3 1HB ASP 3 -21.959 6.445 7.267 21 H ARG 4 H ARG 4 -20.390 6.832 6.727 22 HA ARG 4 HA ARG 4 -18.166 6.502 4.850 23 1HB ARG 4 2HB ARG 4 -18.707 8.653 6.905 24 2HB ARG 4 1HB ARG 4 -17.327 8.623 5.816 25 1HG ARG 4 2HG ARG 4 -18.835 10.093 4.818 26 2HG ARG 4 1HG ARG 4 -19.033 8.585 3.923 27 1HD ARG 4 2HD ARG 4 -21.170 8.401 4.535 28 2HD ARG 4 1HD ARG 4 -20.783 8.707 6.227 29 HE ARG 4 HE ARG 4 -21.146 10.871 4.258 30 1HH1 ARG 4 1HH1 ARG 4 -21.689 9.455 7.393 31 2HH1 ARG 4 2HH1 ARG 4 -22.568 10.818 8.001 32 1HH2 ARG 4 1HH2 ARG 4 -22.300 12.671 5.046 33 2HH2 ARG 4 2HH2 ARG 4 -22.916 12.648 6.665 34 H LYS 5 H LYS 5 -18.816 6.611 8.339 35 HA LYS 5 HA LYS 5 -17.482 6.057 10.132 36 1HB LYS 5 2HB LYS 5 -18.358 3.871 8.776 37 2HB LYS 5 1HB LYS 5 -16.625 3.570 8.794 38 1HG LYS 5 2HG LYS 5 -17.336 4.379 11.397 39 2HG LYS 5 1HG LYS 5 -18.539 3.198 10.874 40 1HD LYS 5 2HD LYS 5 -15.749 2.511 10.241 41 2HD LYS 5 1HD LYS 5 -16.140 2.556 11.961 42 1HE LYS 5 2HE LYS 5 -18.219 1.154 11.222 43 2HE LYS 5 1HE LYS 5 -17.229 0.795 9.808 44 1HZ LYS 5 1HZ LYS 5 -16.941 -0.107 12.546 45 2HZ LYS 5 2HZ LYS 5 -15.496 0.338 11.787 46 3HZ LYS 5 3HZ LYS 5 -16.477 -0.858 11.103 47 H ALA 6 H ALA 6 -16.055 7.702 8.343 48 HA ALA 6 HA ALA 6 -13.335 6.786 8.908 49 1HB ALA 6 1HB ALA 6 -13.422 6.138 6.676 50 2HB ALA 6 2HB ALA 6 -12.696 7.742 6.601 51 3HB ALA 6 3HB ALA 6 -14.402 7.526 6.208 52 H VAL 7 H VAL 7 -11.741 8.640 8.363 53 HA VAL 7 HA VAL 7 -12.931 11.264 8.901 54 HB VAL 7 HB VAL 7 -10.577 10.194 10.461 55 1HG1 VAL 7 1HG1 VAL 7 -11.221 12.790 9.893 56 2HG1 VAL 7 2HG1 VAL 7 -10.285 12.254 11.289 57 3HG1 VAL 7 3HG1 VAL 7 -12.019 12.537 11.446 58 1HG2 VAL 7 1HG2 VAL 7 -12.313 9.033 11.425 59 2HG2 VAL 7 2HG2 VAL 7 -13.496 10.290 11.063 60 3HG2 VAL 7 3HG2 VAL 7 -12.335 10.520 12.371 61 H ILE 8 H ILE 8 -12.369 11.433 6.586 62 HA ILE 8 HA ILE 8 -9.990 11.194 5.358 63 HB ILE 8 HB ILE 8 -12.226 13.092 5.058 64 1HG1 ILE 8 2HG1 ILE 8 -11.602 12.395 2.582 65 2HG1 ILE 8 1HG1 ILE 8 -10.678 11.146 3.410 66 1HG2 ILE 8 1HG2 ILE 8 -11.152 14.559 3.475 67 2HG2 ILE 8 2HG2 ILE 8 -9.612 13.729 3.695 68 3HG2 ILE 8 3HG2 ILE 8 -10.309 14.660 5.021 69 1HD1 ILE 8 1HD1 ILE 8 -13.088 10.644 2.664 70 2HD1 ILE 8 2HD1 ILE 8 -13.554 11.594 4.075 71 3HD1 ILE 8 3HD1 ILE 8 -12.571 10.143 4.276 72 H LYS 9 H LYS 9 -8.271 12.730 4.853 73 HA LYS 9 HA LYS 9 -7.729 14.886 6.678 74 1HB LYS 9 2HB LYS 9 -5.604 12.804 6.730 75 2HB LYS 9 1HB LYS 9 -6.043 13.991 7.951 76 1HG LYS 9 2HG LYS 9 -8.001 11.845 7.383 77 2HG LYS 9 1HG LYS 9 -6.523 11.397 8.234 78 1HD LYS 9 2HD LYS 9 -7.126 13.534 9.670 79 2HD LYS 9 1HD LYS 9 -8.754 13.169 9.093 80 1HE LYS 9 2HE LYS 9 -8.392 12.088 11.219 81 2HE LYS 9 1HE LYS 9 -8.505 10.868 9.951 82 1HZ LYS 9 1HZ LYS 9 -6.288 10.371 10.106 83 2HZ LYS 9 2HZ LYS 9 -6.630 10.741 11.720 84 3HZ LYS 9 3HZ LYS 9 -5.862 11.882 10.735 85 H ASN 10 H ASN 10 -7.393 13.285 3.798 86 HA ASN 10 HA ASN 10 -5.865 15.374 2.609 87 1HB ASN 10 2HB ASN 10 -4.179 13.705 3.777 88 2HB ASN 10 1HB ASN 10 -4.494 12.725 2.348 89 1HD2 ASN 10 1HD2 ASN 10 -4.829 16.018 1.754 90 2HD2 ASN 10 2HD2 ASN 10 -3.289 16.299 1.023 91 H ALA 11 H ALA 11 -8.077 15.119 1.630 92 HA ALA 11 HA ALA 11 -8.030 13.099 -0.517 93 1HB ALA 11 1HB ALA 11 -10.382 14.321 0.908 94 2HB ALA 11 2HB ALA 11 -9.851 12.640 0.959 95 3HB ALA 11 3HB ALA 11 -10.511 13.311 -0.532 96 H ASP 12 H ASP 12 -6.994 14.356 -2.060 97 HA ASP 12 HA ASP 12 -8.139 16.941 -2.750 98 1HB ASP 12 2HB ASP 12 -5.687 15.449 -3.664 99 2HB ASP 12 1HB ASP 12 -6.261 16.884 -4.508 100 H MET 13 H MET 13 -9.578 14.404 -3.116 101 HA MET 13 HA MET 13 -9.898 14.405 -6.042 102 1HB MET 13 2HB MET 13 -9.350 12.213 -5.314 103 2HB MET 13 1HB MET 13 -10.461 12.305 -3.955 104 1HG MET 13 2HG MET 13 -12.285 11.837 -5.231 105 2HG MET 13 1HG MET 13 -11.588 12.547 -6.686 106 1HE MET 13 1HE MET 13 -10.618 10.100 -4.042 107 2HE MET 13 2HE MET 13 -9.951 8.707 -4.894 108 3HE MET 13 3HE MET 13 -11.693 8.848 -4.665 109 H SER 14 H SER 14 -12.253 13.763 -6.668 110 HA SER 14 HA SER 14 -13.948 15.862 -5.955 111 1HB SER 14 2HB SER 14 -14.605 14.968 -7.959 112 2HB SER 14 1HB SER 14 -14.252 13.315 -7.457 113 HG SER 14 HG SER 14 -16.591 14.332 -7.625 114 H GLU 15 H GLU 15 -15.630 16.082 -4.528 115 HA GLU 15 HA GLU 15 -15.546 14.886 -2.066 116 1HB GLU 15 2HB GLU 15 -17.648 16.364 -3.565 117 2HB GLU 15 1HB GLU 15 -18.148 15.504 -2.115 118 1HG GLU 15 2HG GLU 15 -16.216 16.721 -0.958 119 2HG GLU 15 1HG GLU 15 -16.204 17.767 -2.377 120 H GLU 16 H GLU 16 -18.032 14.137 -4.515 121 HA GLU 16 HA GLU 16 -19.152 11.946 -3.269 122 1HB GLU 16 2HB GLU 16 -18.881 11.720 -6.202 123 2HB GLU 16 1HB GLU 16 -20.320 11.646 -5.194 124 1HG GLU 16 2HG GLU 16 -20.208 14.110 -4.944 125 2HG GLU 16 1HG GLU 16 -18.859 14.123 -6.081 126 H MET 17 H MET 17 -16.184 12.163 -5.096 127 HA MET 17 HA MET 17 -15.802 9.351 -5.397 128 1HB MET 17 2HB MET 17 -14.074 11.774 -5.749 129 2HB MET 17 1HB MET 17 -13.342 10.176 -5.755 130 1HG MET 17 2HG MET 17 -15.615 10.144 -7.467 131 2HG MET 17 1HG MET 17 -14.610 11.535 -7.875 132 1HE MET 17 1HE MET 17 -12.661 8.365 -6.352 133 2HE MET 17 2HE MET 17 -13.014 7.233 -7.658 134 3HE MET 17 3HE MET 17 -14.330 7.917 -6.704 135 H GLN 18 H GLN 18 -14.551 11.785 -3.137 136 HA GLN 18 HA GLN 18 -12.874 10.067 -1.681 137 1HB GLN 18 2HB GLN 18 -13.643 11.931 0.169 138 2HB GLN 18 1HB GLN 18 -12.337 12.134 -0.990 139 1HG GLN 18 2HG GLN 18 -14.587 12.868 -2.409 140 2HG GLN 18 1HG GLN 18 -14.878 13.506 -0.790 141 1HE2 GLN 18 1HE2 GLN 18 -11.619 13.206 -1.271 142 2HE2 GLN 18 2HE2 GLN 18 -11.258 14.821 -1.760 143 H GLN 19 H GLN 19 -16.296 10.827 -1.381 144 HA GLN 19 HA GLN 19 -16.649 9.429 1.088 145 1HB GLN 19 2HB GLN 19 -18.684 10.270 -0.989 146 2HB GLN 19 1HB GLN 19 -19.062 9.686 0.626 147 1HG GLN 19 2HG GLN 19 -18.591 11.652 1.591 148 2HG GLN 19 1HG GLN 19 -17.213 11.960 0.537 149 1HE2 GLN 19 1HE2 GLN 19 -17.650 14.000 -0.079 150 2HE2 GLN 19 2HE2 GLN 19 -19.057 14.474 -0.961 151 H ASP 20 H ASP 20 -16.898 8.683 -2.316 152 HA ASP 20 HA ASP 20 -18.070 6.104 -1.941 153 1HB ASP 20 2HB ASP 20 -17.524 7.790 -4.135 154 2HB ASP 20 1HB ASP 20 -16.597 6.319 -4.412 155 H SER 21 H SER 21 -14.889 7.449 -1.975 156 HA SER 21 HA SER 21 -13.451 5.022 -2.364 157 1HB SER 21 2HB SER 21 -12.087 6.818 -2.827 158 2HB SER 21 1HB SER 21 -12.782 7.810 -1.546 159 HG SER 21 HG SER 21 -11.117 7.244 -0.414 160 H VAL 22 H VAL 22 -14.521 6.867 0.442 161 HA VAL 22 HA VAL 22 -13.240 5.286 2.402 162 HB VAL 22 HB VAL 22 -15.730 6.982 2.625 163 1HG1 VAL 22 1HG1 VAL 22 -13.990 6.196 4.927 164 2HG1 VAL 22 2HG1 VAL 22 -15.281 5.127 4.376 165 3HG1 VAL 22 3HG1 VAL 22 -15.661 6.758 4.929 166 1HG2 VAL 22 1HG2 VAL 22 -13.317 7.952 3.911 167 2HG2 VAL 22 2HG2 VAL 22 -14.409 8.771 2.795 168 3HG2 VAL 22 3HG2 VAL 22 -13.111 7.753 2.170 169 H GLU 23 H GLU 23 -16.528 5.223 1.053 170 HA GLU 23 HA GLU 23 -17.539 3.141 2.619 171 1HB GLU 23 2HB GLU 23 -18.239 3.758 -0.260 172 2HB GLU 23 1HB GLU 23 -19.228 2.856 0.881 173 1HG GLU 23 2HG GLU 23 -19.659 4.786 2.176 174 2HG GLU 23 1HG GLU 23 -18.427 5.716 1.324 175 H CYS 24 H CYS 24 -15.743 3.099 -0.422 176 HA CYS 24 HA CYS 24 -15.892 0.310 -0.862 177 1HB CYS 24 2HB CYS 24 -14.055 2.489 -1.817 178 2HB CYS 24 1HB CYS 24 -13.699 0.806 -2.190 179 HG CYS 24 HG CYS 24 -15.067 1.657 -4.165 180 H ALA 25 H ALA 25 -13.709 2.362 0.969 181 HA ALA 25 HA ALA 25 -11.820 0.317 1.598 182 1HB ALA 25 1HB ALA 25 -12.412 3.026 2.773 183 2HB ALA 25 2HB ALA 25 -11.023 2.534 1.803 184 3HB ALA 25 3HB ALA 25 -11.193 1.952 3.458 185 H THR 26 H THR 26 -14.793 1.533 2.865 186 HA THR 26 HA THR 26 -14.743 0.198 5.370 187 HB THR 26 HB THR 26 -17.272 0.898 3.909 188 HG1 THR 26 1HG THR 26 -16.979 3.046 4.475 189 1HG2 THR 26 1HG2 THR 26 -18.206 0.741 5.892 190 2HG2 THR 26 2HG2 THR 26 -17.068 1.912 6.560 191 3HG2 THR 26 3HG2 THR 26 -16.662 0.195 6.547 192 H GLN 27 H GLN 27 -15.938 -0.545 2.147 193 HA GLN 27 HA GLN 27 -17.355 -2.886 2.726 194 1HB GLN 27 2HB GLN 27 -15.802 -2.239 0.212 195 2HB GLN 27 1HB GLN 27 -17.078 -3.439 0.358 196 1HG GLN 27 2HG GLN 27 -18.614 -1.550 1.011 197 2HG GLN 27 1HG GLN 27 -17.324 -0.451 0.525 198 1HE2 GLN 27 1HE2 GLN 27 -20.039 -2.061 -0.478 199 2HE2 GLN 27 2HE2 GLN 27 -19.812 -1.953 -2.187 200 H ALA 28 H ALA 28 -13.949 -2.316 2.021 201 HA ALA 28 HA ALA 28 -13.211 -5.081 2.064 202 1HB ALA 28 1HB ALA 28 -10.885 -4.179 2.187 203 2HB ALA 28 2HB ALA 28 -11.571 -2.557 2.281 204 3HB ALA 28 3HB ALA 28 -11.830 -3.543 0.842 205 H LEU 29 H LEU 29 -13.468 -2.499 4.393 206 HA LEU 29 HA LEU 29 -12.013 -3.766 6.474 207 1HB LEU 29 2HB LEU 29 -13.910 -1.457 6.348 208 2HB LEU 29 1HB LEU 29 -13.339 -2.062 7.893 209 HG LEU 29 HG LEU 29 -11.187 -1.576 5.979 210 1HD1 LEU 29 1HD1 LEU 29 -11.584 0.515 5.373 211 2HD1 LEU 29 2HD1 LEU 29 -11.987 0.980 7.026 212 3HD1 LEU 29 3HD1 LEU 29 -13.230 0.309 5.970 213 1HD2 LEU 29 1HD2 LEU 29 -11.576 -1.720 8.751 214 2HD2 LEU 29 2HD2 LEU 29 -11.095 -0.058 8.412 215 3HD2 LEU 29 3HD2 LEU 29 -10.072 -1.396 7.890 216 H GLU 30 H GLU 30 -15.388 -3.698 5.513 217 HA GLU 30 HA GLU 30 -16.171 -5.250 7.850 218 1HB GLU 30 2HB GLU 30 -17.574 -3.652 5.789 219 2HB GLU 30 1HB GLU 30 -18.447 -5.041 6.421 220 1HG GLU 30 2HG GLU 30 -17.545 -3.912 8.712 221 2HG GLU 30 1HG GLU 30 -17.773 -2.490 7.694 222 H LYS 31 H LYS 31 -15.102 -5.821 4.704 223 HA LYS 31 HA LYS 31 -16.554 -8.343 4.460 224 1HB LYS 31 2HB LYS 31 -15.278 -6.502 2.598 225 2HB LYS 31 1HB LYS 31 -14.839 -8.177 2.295 226 1HG LYS 31 2HG LYS 31 -17.056 -8.809 1.902 227 2HG LYS 31 1HG LYS 31 -17.696 -7.340 2.641 228 1HD LYS 31 2HD LYS 31 -17.041 -6.012 0.810 229 2HD LYS 31 1HD LYS 31 -15.992 -7.275 0.167 230 1HE LYS 31 2HE LYS 31 -18.923 -7.776 0.458 231 2HE LYS 31 1HE LYS 31 -18.326 -6.839 -0.912 232 1HZ LYS 31 1HZ LYS 31 -18.543 -9.480 -0.937 233 2HZ LYS 31 2HZ LYS 31 -16.953 -9.346 -0.376 234 3HZ LYS 31 3HZ LYS 31 -17.392 -8.644 -1.852 235 H TYR 32 H TYR 32 -13.506 -7.122 5.436 236 HA TYR 32 HA TYR 32 -12.587 -9.818 5.988 237 1HB TYR 32 2HB TYR 32 -10.508 -8.148 4.705 238 2HB TYR 32 1HB TYR 32 -10.773 -9.886 4.614 239 HD1 TYR 32 1HD TYR 32 -12.035 -10.848 2.835 240 HD2 TYR 32 2HD TYR 32 -11.823 -6.620 3.252 241 HE1 TYR 32 1HE TYR 32 -13.025 -10.584 0.599 242 HE2 TYR 32 2HE TYR 32 -12.812 -6.343 1.019 243 HH TYR 32 HH TYR 32 -12.870 -7.947 -1.180 244 H ASN 33 H ASN 33 -11.254 -6.508 5.865 245 HA ASN 33 HA ASN 33 -10.466 -5.148 7.523 246 1HB ASN 33 2HB ASN 33 -12.414 -6.412 8.832 247 2HB ASN 33 1HB ASN 33 -11.044 -7.108 9.692 248 1HD2 ASN 33 1HD2 ASN 33 -13.193 -5.160 10.452 249 2HD2 ASN 33 2HD2 ASN 33 -12.340 -3.817 11.124 250 H ILE 34 H ILE 34 -8.572 -6.239 6.238 251 HA ILE 34 HA ILE 34 -6.642 -7.128 8.254 252 HB ILE 34 HB ILE 34 -7.027 -8.484 5.586 253 1HG1 ILE 34 2HG1 ILE 34 -8.670 -9.147 7.301 254 2HG1 ILE 34 1HG1 ILE 34 -7.578 -10.466 6.886 255 1HG2 ILE 34 1HG2 ILE 34 -5.222 -10.007 6.426 256 2HG2 ILE 34 2HG2 ILE 34 -4.923 -8.832 7.707 257 3HG2 ILE 34 3HG2 ILE 34 -4.693 -8.375 6.019 258 1HD1 ILE 34 1HD1 ILE 34 -8.151 -10.042 9.352 259 2HD1 ILE 34 2HD1 ILE 34 -7.009 -8.704 9.225 260 3HD1 ILE 34 3HD1 ILE 34 -6.473 -10.354 8.908 261 H GLU 35 H GLU 35 -6.533 -4.612 7.599 262 HA GLU 35 HA GLU 35 -5.536 -2.942 6.323 263 1HB GLU 35 2HB GLU 35 -3.351 -4.858 7.133 264 2HB GLU 35 1HB GLU 35 -3.009 -3.300 6.395 265 1HG GLU 35 2HG GLU 35 -2.848 -2.735 8.588 266 2HG GLU 35 1HG GLU 35 -4.563 -2.422 8.327 267 H LYS 36 H LYS 36 -3.195 -5.301 5.263 268 HA LYS 36 HA LYS 36 -3.040 -4.573 2.643 269 1HB LYS 36 2HB LYS 36 -2.887 -7.458 2.827 270 2HB LYS 36 1HB LYS 36 -1.605 -6.292 2.526 271 1HG LYS 36 2HG LYS 36 -2.652 -7.039 5.250 272 2HG LYS 36 1HG LYS 36 -1.189 -7.690 4.506 273 1HD LYS 36 2HD LYS 36 -0.868 -4.958 4.273 274 2HD LYS 36 1HD LYS 36 -1.624 -5.148 5.855 275 1HE LYS 36 2HE LYS 36 0.488 -5.484 6.552 276 2HE LYS 36 1HE LYS 36 0.221 -7.120 5.948 277 1HZ LYS 36 1HZ LYS 36 1.617 -4.888 4.587 278 2HZ LYS 36 2HZ LYS 36 1.137 -6.294 3.778 279 3HZ LYS 36 3HZ LYS 36 2.253 -6.388 5.045 280 H ASP 37 H ASP 37 -5.106 -7.172 3.922 281 HA ASP 37 HA ASP 37 -6.400 -7.897 1.596 282 1HB ASP 37 2HB ASP 37 -6.679 -8.433 4.348 283 2HB ASP 37 1HB ASP 37 -8.266 -7.906 3.797 284 H ILE 38 H ILE 38 -7.621 -5.584 4.031 285 HA ILE 38 HA ILE 38 -9.880 -4.711 2.742 286 HB ILE 38 HB ILE 38 -7.960 -3.043 4.375 287 1HG1 ILE 38 2HG1 ILE 38 -10.573 -4.103 5.373 288 2HG1 ILE 38 1HG1 ILE 38 -9.193 -5.195 5.287 289 1HG2 ILE 38 1HG2 ILE 38 -10.852 -2.392 4.138 290 2HG2 ILE 38 2HG2 ILE 38 -9.773 -1.927 2.822 291 3HG2 ILE 38 3HG2 ILE 38 -9.476 -1.336 4.458 292 1HD1 ILE 38 1HD1 ILE 38 -9.532 -2.727 6.945 293 2HD1 ILE 38 2HD1 ILE 38 -7.940 -3.408 6.616 294 3HD1 ILE 38 3HD1 ILE 38 -9.152 -4.371 7.460 295 H ALA 39 H ALA 39 -6.557 -3.565 2.278 296 HA ALA 39 HA ALA 39 -7.145 -1.494 0.470 297 1HB ALA 39 1HB ALA 39 -4.909 -2.260 1.718 298 2HB ALA 39 2HB ALA 39 -4.901 -1.227 0.288 299 3HB ALA 39 3HB ALA 39 -4.595 -2.956 0.129 300 H ALA 40 H ALA 40 -6.168 -4.867 -0.101 301 HA ALA 40 HA ALA 40 -6.123 -4.862 -2.871 302 1HB ALA 40 1HB ALA 40 -7.054 -7.113 -1.091 303 2HB ALA 40 2HB ALA 40 -5.373 -6.741 -1.467 304 3HB ALA 40 3HB ALA 40 -6.469 -7.261 -2.748 305 H HIS 41 H HIS 41 -8.845 -5.440 -0.690 306 HA HIS 41 HA HIS 41 -10.799 -6.037 -2.581 307 1HB HIS 41 2HB HIS 41 -11.495 -6.469 -0.423 308 2HB HIS 41 1HB HIS 41 -10.806 -4.982 0.212 309 HD1 HIS 41 1HD HIS 41 -13.938 -6.446 -0.173 310 HD2 HIS 41 2HD HIS 41 -12.458 -2.667 -1.053 311 HE1 HIS 41 1HE HIS 41 -15.953 -4.948 -0.293 312 HE2 HIS 41 2HE HIS 41 -15.039 -2.675 -0.879 313 H ILE 42 H ILE 42 -10.199 -2.896 -1.009 314 HA ILE 42 HA ILE 42 -11.974 -1.343 -2.416 315 HB ILE 42 HB ILE 42 -9.221 -0.528 -1.481 316 1HG1 ILE 42 2HG1 ILE 42 -11.663 0.205 0.027 317 2HG1 ILE 42 1HG1 ILE 42 -11.213 -1.497 0.070 318 1HG2 ILE 42 1HG2 ILE 42 -11.631 1.126 -2.216 319 2HG2 ILE 42 2HG2 ILE 42 -10.074 1.090 -3.044 320 3HG2 ILE 42 3HG2 ILE 42 -10.191 1.751 -1.413 321 1HD1 ILE 42 1HD1 ILE 42 -9.332 -1.110 1.280 322 2HD1 ILE 42 2HD1 ILE 42 -10.321 0.237 1.844 323 3HD1 ILE 42 3HD1 ILE 42 -9.094 0.502 0.607 324 H LYS 43 H LYS 43 -8.494 -1.167 -3.145 325 HA LYS 43 HA LYS 43 -8.553 0.047 -5.547 326 1HB LYS 43 2HB LYS 43 -6.435 -0.517 -4.643 327 2HB LYS 43 1HB LYS 43 -6.805 -2.236 -4.650 328 1HG LYS 43 2HG LYS 43 -6.714 -2.289 -7.061 329 2HG LYS 43 1HG LYS 43 -6.468 -0.542 -7.117 330 1HD LYS 43 2HD LYS 43 -4.277 -0.746 -6.732 331 2HD LYS 43 1HD LYS 43 -4.540 -1.878 -5.403 332 1HE LYS 43 2HE LYS 43 -3.946 -3.594 -6.684 333 2HE LYS 43 1HE LYS 43 -5.145 -3.151 -7.899 334 1HZ LYS 43 1HZ LYS 43 -2.428 -3.048 -8.185 335 2HZ LYS 43 2HZ LYS 43 -2.869 -1.430 -7.964 336 3HZ LYS 43 3HZ LYS 43 -3.568 -2.334 -9.211 337 H LYS 44 H LYS 44 -9.219 -3.372 -4.984 338 HA LYS 44 HA LYS 44 -9.362 -4.287 -7.587 339 1HB LYS 44 2HB LYS 44 -9.729 -5.456 -5.230 340 2HB LYS 44 1HB LYS 44 -11.421 -5.231 -5.655 341 1HG LYS 44 2HG LYS 44 -11.327 -7.072 -6.872 342 2HG LYS 44 1HG LYS 44 -10.150 -6.292 -7.932 343 1HD LYS 44 2HD LYS 44 -8.326 -7.135 -6.678 344 2HD LYS 44 1HD LYS 44 -9.380 -7.650 -5.359 345 1HE LYS 44 2HE LYS 44 -8.849 -8.923 -7.985 346 2HE LYS 44 1HE LYS 44 -9.074 -9.655 -6.397 347 1HZ LYS 44 1HZ LYS 44 -11.384 -8.328 -7.588 348 2HZ LYS 44 2HZ LYS 44 -11.309 -9.730 -6.645 349 3HZ LYS 44 3HZ LYS 44 -10.899 -9.792 -8.285 350 H GLU 45 H GLU 45 -12.152 -3.273 -5.628 351 HA GLU 45 HA GLU 45 -13.988 -3.227 -7.744 352 1HB GLU 45 2HB GLU 45 -14.316 -1.333 -5.463 353 2HB GLU 45 1HB GLU 45 -15.503 -2.383 -6.227 354 1HG GLU 45 2HG GLU 45 -13.700 -4.152 -5.124 355 2HG GLU 45 1HG GLU 45 -13.799 -2.860 -3.929 356 H PHE 46 H PHE 46 -12.425 -0.450 -6.136 357 HA PHE 46 HA PHE 46 -13.295 1.614 -7.660 358 1HB PHE 46 2HB PHE 46 -10.911 1.078 -6.080 359 2HB PHE 46 1HB PHE 46 -10.578 2.178 -7.414 360 HD1 PHE 46 1HD PHE 46 -11.903 4.289 -7.609 361 HD2 PHE 46 2HD PHE 46 -12.089 1.781 -4.177 362 HE1 PHE 46 1HE PHE 46 -12.843 6.151 -6.305 363 HE2 PHE 46 2HE PHE 46 -13.031 3.637 -2.867 364 HZ PHE 46 HZ PHE 46 -13.406 5.828 -3.929 365 H ASP 47 H ASP 47 -10.831 -0.737 -8.541 366 HA ASP 47 HA ASP 47 -10.033 0.541 -10.946 367 1HB ASP 47 2HB ASP 47 -8.401 -0.963 -10.635 368 2HB ASP 47 1HB ASP 47 -9.384 -1.878 -9.499 369 H LYS 48 H LYS 48 -12.345 -2.050 -10.222 370 HA LYS 48 HA LYS 48 -13.177 -2.090 -13.019 371 1HB LYS 48 2HB LYS 48 -13.662 -3.889 -10.668 372 2HB LYS 48 1HB LYS 48 -14.707 -3.975 -12.079 373 1HG LYS 48 2HG LYS 48 -11.761 -4.108 -12.470 374 2HG LYS 48 1HG LYS 48 -12.610 -5.525 -11.850 375 1HD LYS 48 2HD LYS 48 -12.479 -5.700 -14.240 376 2HD LYS 48 1HD LYS 48 -14.155 -5.373 -13.794 377 1HE LYS 48 2HE LYS 48 -14.085 -3.713 -15.282 378 2HE LYS 48 1HE LYS 48 -13.074 -2.857 -14.119 379 1HZ LYS 48 1HZ LYS 48 -11.958 -2.853 -16.196 380 2HZ LYS 48 2HZ LYS 48 -12.169 -4.519 -16.402 381 3HZ LYS 48 3HZ LYS 48 -11.129 -3.940 -15.200 382 H LYS 49 H LYS 49 -13.830 -0.096 -10.656 383 HA LYS 49 HA LYS 49 -16.669 0.122 -11.376 384 1HB LYS 49 2HB LYS 49 -15.630 -0.421 -8.805 385 2HB LYS 49 1HB LYS 49 -16.202 1.240 -8.775 386 1HG LYS 49 2HG LYS 49 -18.241 -0.089 -10.050 387 2HG LYS 49 1HG LYS 49 -17.696 -1.251 -8.838 388 1HD LYS 49 2HD LYS 49 -18.539 1.605 -8.345 389 2HD LYS 49 1HD LYS 49 -19.445 0.154 -7.915 390 1HE LYS 49 2HE LYS 49 -16.800 -0.022 -6.840 391 2HE LYS 49 1HE LYS 49 -17.515 1.522 -6.380 392 1HZ LYS 49 1HZ LYS 49 -19.292 0.456 -5.323 393 2HZ LYS 49 2HZ LYS 49 -17.930 -0.428 -4.852 394 3HZ LYS 49 3HZ LYS 49 -18.961 -1.037 -6.046 395 H TYR 50 H TYR 50 -13.675 1.537 -11.421 396 HA TYR 50 HA TYR 50 -14.869 4.173 -11.891 397 1HB TYR 50 2HB TYR 50 -12.433 3.646 -10.180 398 2HB TYR 50 1HB TYR 50 -12.942 5.241 -10.722 399 HD1 TYR 50 1HD TYR 50 -13.935 2.341 -8.643 400 HD2 TYR 50 2HD TYR 50 -14.631 6.432 -9.574 401 HE1 TYR 50 1HE TYR 50 -15.392 2.535 -6.671 402 HE2 TYR 50 2HE TYR 50 -16.089 6.639 -7.604 403 HH TYR 50 HH TYR 50 -16.464 5.538 -5.465 404 H ASN 51 H ASN 51 -11.675 2.585 -11.919 405 HA ASN 51 HA ASN 51 -11.163 2.253 -14.524 406 1HB ASN 51 2HB ASN 51 -11.485 5.077 -14.044 407 2HB ASN 51 1HB ASN 51 -9.839 4.746 -14.573 408 1HD2 ASN 51 1HD2 ASN 51 -9.519 3.715 -16.590 409 2HD2 ASN 51 2HD2 ASN 51 -10.720 3.806 -17.830 410 HA PRO 52 HA PRO 52 -7.669 0.952 -11.986 411 1HB PRO 52 2HB PRO 52 -6.830 -0.062 -14.658 412 2HB PRO 52 1HB PRO 52 -6.874 -0.894 -13.100 413 1HG PRO 52 2HG PRO 52 -8.724 -1.392 -14.931 414 2HG PRO 52 1HG PRO 52 -9.164 -1.267 -13.218 415 1HD PRO 52 2HD PRO 52 -9.546 0.717 -15.423 416 2HD PRO 52 1HD PRO 52 -10.624 0.311 -14.072 417 H THR 53 H THR 53 -4.810 2.853 -12.744 418 HA THR 53 HA THR 53 -6.295 0.783 -11.272 419 HB THR 53 HB THR 53 -4.406 -0.409 -11.657 420 HG1 THR 53 1HG THR 53 -4.362 0.448 -9.362 421 1HG2 THR 53 1HG2 THR 53 -2.585 1.962 -11.696 422 2HG2 THR 53 2HG2 THR 53 -3.498 1.475 -13.125 423 3HG2 THR 53 3HG2 THR 53 -2.343 0.361 -12.393 424 H TRP 54 H TRP 54 -6.509 0.986 -9.062 425 HA TRP 54 HA TRP 54 -5.970 3.679 -8.034 426 1HB TRP 54 2HB TRP 54 -7.859 1.529 -7.063 427 2HB TRP 54 1HB TRP 54 -7.633 3.086 -6.274 428 HD1 TRP 54 HD TRP 54 -8.915 1.625 -9.609 429 HE1 TRP 54 1HE TRP 54 -10.615 3.275 -10.608 430 HE3 TRP 54 3HE TRP 54 -8.448 5.420 -6.215 431 HZ2 TRP 54 2HZ TRP 54 -11.629 5.851 -10.031 432 HZ3 TRP 54 3HZ TRP 54 -9.818 7.441 -6.509 433 HH2 TRP 54 HH TRP 54 -11.376 7.652 -8.379 434 H HIS 55 H HIS 55 -4.217 3.921 -6.836 435 HA HIS 55 HA HIS 55 -3.026 1.656 -5.461 436 1HB HIS 55 2HB HIS 55 -2.017 4.480 -5.257 437 2HB HIS 55 1HB HIS 55 -1.108 2.975 -5.197 438 HD1 HIS 55 1HD HIS 55 -3.418 3.082 -8.028 439 HD2 HIS 55 2HD HIS 55 0.478 4.297 -7.248 440 HE1 HIS 55 1HE HIS 55 -2.378 3.486 -10.279 441 HE2 HIS 55 2HE HIS 55 0.007 4.132 -9.785 442 H CYS 56 H CYS 56 -4.456 1.193 -3.799 443 HA CYS 56 HA CYS 56 -4.987 3.357 -1.883 444 1HB CYS 56 2HB CYS 56 -6.386 0.757 -1.617 445 2HB CYS 56 1HB CYS 56 -6.990 2.394 -1.386 446 HG CYS 56 HG CYS 56 -6.575 1.291 -4.260 447 H ILE 57 H ILE 57 -4.582 3.166 0.268 448 HA ILE 57 HA ILE 57 -3.139 0.779 1.200 449 HB ILE 57 HB ILE 57 -2.316 3.562 2.009 450 1HG1 ILE 57 2HG1 ILE 57 -1.851 3.459 -0.338 451 2HG1 ILE 57 1HG1 ILE 57 -0.330 3.191 0.506 452 1HG2 ILE 57 1HG2 ILE 57 -0.189 1.803 2.273 453 2HG2 ILE 57 2HG2 ILE 57 -1.593 0.869 2.791 454 3HG2 ILE 57 3HG2 ILE 57 -1.221 2.409 3.568 455 1HD1 ILE 57 1HD1 ILE 57 -1.513 1.598 -1.470 456 2HD1 ILE 57 2HD1 ILE 57 -1.611 0.683 0.035 457 3HD1 ILE 57 3HD1 ILE 57 -0.050 1.268 -0.541 458 H VAL 58 H VAL 58 -4.512 -0.049 2.655 459 HA VAL 58 HA VAL 58 -5.877 1.793 4.494 460 HB VAL 58 HB VAL 58 -7.462 0.460 3.312 461 1HG1 VAL 58 1HG1 VAL 58 -5.829 -1.311 2.662 462 2HG1 VAL 58 2HG1 VAL 58 -7.402 -1.922 3.173 463 3HG1 VAL 58 3HG1 VAL 58 -6.024 -2.003 4.272 464 1HG2 VAL 58 1HG2 VAL 58 -8.583 -0.700 5.128 465 2HG2 VAL 58 2HG2 VAL 58 -7.891 0.815 5.707 466 3HG2 VAL 58 3HG2 VAL 58 -7.090 -0.715 6.067 467 H GLY 59 H GLY 59 -5.414 1.793 6.590 468 1HA GLY 59 2HA GLY 59 -4.288 -0.551 7.878 469 2HA GLY 59 1HA GLY 59 -3.218 0.841 7.784 470 H ARG 60 H ARG 60 -3.150 1.816 9.704 471 HA ARG 60 HA ARG 60 -5.557 2.827 10.881 472 1HB ARG 60 2HB ARG 60 -4.717 1.699 13.139 473 2HB ARG 60 1HB ARG 60 -5.874 0.922 12.068 474 1HG ARG 60 2HG ARG 60 -3.513 0.064 11.031 475 2HG ARG 60 1HG ARG 60 -3.136 0.163 12.752 476 1HD ARG 60 2HD ARG 60 -5.423 -1.074 13.021 477 2HD ARG 60 1HD ARG 60 -5.149 -1.532 11.341 478 HE ARG 60 HE ARG 60 -3.305 -2.810 12.008 479 1HH1 ARG 60 1HH1 ARG 60 -4.825 -1.204 14.699 480 2HH1 ARG 60 2HH1 ARG 60 -4.027 -2.173 15.893 481 1HH2 ARG 60 1HH2 ARG 60 -2.249 -4.089 13.573 482 2HH2 ARG 60 2HH2 ARG 60 -2.563 -3.810 15.253 483 H ASN 61 H ASN 61 -2.155 2.083 11.673 484 HA ASN 61 HA ASN 61 -1.801 4.923 12.352 485 1HB ASN 61 2HB ASN 61 -1.574 2.660 14.115 486 2HB ASN 61 1HB ASN 61 -0.009 3.450 13.957 487 1HD2 ASN 61 1HD2 ASN 61 -2.380 5.669 13.329 488 2HD2 ASN 61 2HD2 ASN 61 -2.511 6.386 14.895 489 H PHE 62 H PHE 62 -1.066 4.695 9.997 490 HA PHE 62 HA PHE 62 1.792 3.988 9.973 491 1HB PHE 62 2HB PHE 62 1.564 3.406 7.606 492 2HB PHE 62 1HB PHE 62 0.476 2.435 8.592 493 HD1 PHE 62 1HD PHE 62 0.696 4.093 5.607 494 HD2 PHE 62 2HD PHE 62 -1.902 3.731 8.959 495 HE1 PHE 62 1HE PHE 62 -1.198 4.809 4.211 496 HE2 PHE 62 2HE PHE 62 -3.802 4.444 7.567 497 HZ PHE 62 HZ PHE 62 -3.451 4.985 5.189 498 H GLY 63 H GLY 63 2.438 5.049 7.506 499 1HA GLY 63 2HA GLY 63 1.701 7.893 7.678 500 2HA GLY 63 1HA GLY 63 3.398 7.437 7.701 501 H SER 64 H SER 64 0.440 7.159 5.781 502 HA SER 64 HA SER 64 1.724 6.305 3.406 503 1HB SER 64 2HB SER 64 -0.418 6.900 2.303 504 2HB SER 64 1HB SER 64 -0.657 5.923 3.752 505 HG SER 64 HG SER 64 -1.928 8.023 3.331 506 H TYR 65 H TYR 65 2.656 7.401 1.781 507 HA TYR 65 HA TYR 65 2.244 10.254 1.479 508 1HB TYR 65 2HB TYR 65 4.167 9.819 3.159 509 2HB TYR 65 1HB TYR 65 5.085 9.308 1.745 510 HD1 TYR 65 1HD TYR 65 5.779 10.914 0.063 511 HD2 TYR 65 2HD TYR 65 3.532 12.152 3.458 512 HE1 TYR 65 1HE TYR 65 6.342 13.257 -0.425 513 HE2 TYR 65 2HE TYR 65 4.088 14.498 2.979 514 HH TYR 65 HH TYR 65 6.498 15.408 0.794 515 H VAL 66 H VAL 66 1.295 9.393 -0.478 516 HA VAL 66 HA VAL 66 3.282 8.532 -2.475 517 HB VAL 66 HB VAL 66 1.456 7.603 -3.769 518 1HG1 VAL 66 1HG1 VAL 66 0.886 6.613 -1.013 519 2HG1 VAL 66 2HG1 VAL 66 2.507 6.429 -1.684 520 3HG1 VAL 66 3HG1 VAL 66 1.126 5.708 -2.508 521 1HG2 VAL 66 1HG2 VAL 66 -0.426 8.878 -3.495 522 2HG2 VAL 66 2HG2 VAL 66 -0.210 9.019 -1.750 523 3HG2 VAL 66 3HG2 VAL 66 -0.822 7.517 -2.444 524 H THR 67 H THR 67 2.445 9.173 -4.797 525 HA THR 67 HA THR 67 1.968 12.073 -4.715 526 HB THR 67 HB THR 67 3.315 10.349 -6.801 527 HG1 THR 67 1HG THR 67 5.129 11.152 -6.031 528 1HG2 THR 67 1HG2 THR 67 1.950 12.499 -7.529 529 2HG2 THR 67 2HG2 THR 67 3.508 12.077 -8.243 530 3HG2 THR 67 3HG2 THR 67 3.422 13.297 -6.971 531 H HIS 68 H HIS 68 -0.112 12.529 -5.044 532 HA HIS 68 HA HIS 68 -1.999 10.875 -6.261 533 1HB HIS 68 2HB HIS 68 -3.376 12.986 -6.454 534 2HB HIS 68 1HB HIS 68 -2.767 12.630 -4.840 535 HD1 HIS 68 1HD HIS 68 0.174 13.791 -6.011 536 HD2 HIS 68 2HD HIS 68 -3.475 15.717 -5.507 537 HE1 HIS 68 1HE HIS 68 0.723 16.239 -5.847 538 HE2 HIS 68 2HE HIS 68 -1.502 17.390 -5.579 539 H GLU 69 H GLU 69 -3.157 11.168 -8.278 540 HA GLU 69 HA GLU 69 -1.634 12.522 -10.385 541 1HB GLU 69 2HB GLU 69 -2.634 9.672 -10.547 542 2HB GLU 69 1HB GLU 69 -1.920 10.574 -11.876 543 1HG GLU 69 2HG GLU 69 -0.258 10.505 -9.477 544 2HG GLU 69 1HG GLU 69 -0.577 8.918 -10.177 545 H THR 70 H THR 70 -3.762 10.627 -11.930 546 HA THR 70 HA THR 70 -5.384 12.362 -13.075 547 HB THR 70 HB THR 70 -7.282 10.490 -12.516 548 HG1 THR 70 1HG THR 70 -5.306 9.595 -11.193 549 1HG2 THR 70 1HG2 THR 70 -5.248 9.453 -14.339 550 2HG2 THR 70 2HG2 THR 70 -5.767 11.103 -14.683 551 3HG2 THR 70 3HG2 THR 70 -6.955 9.802 -14.612 552 H LYS 71 H LYS 71 -7.368 10.709 -10.778 553 HA LYS 71 HA LYS 71 -8.628 13.179 -10.006 554 1HB LYS 71 2HB LYS 71 -9.104 10.290 -9.283 555 2HB LYS 71 1HB LYS 71 -10.015 11.603 -8.548 556 1HG LYS 71 2HG LYS 71 -10.125 12.040 -11.315 557 2HG LYS 71 1HG LYS 71 -10.404 10.314 -11.073 558 1HD LYS 71 2HD LYS 71 -12.543 11.111 -10.851 559 2HD LYS 71 1HD LYS 71 -12.006 11.179 -9.172 560 1HE LYS 71 2HE LYS 71 -12.447 13.355 -9.142 561 2HE LYS 71 1HE LYS 71 -11.224 13.601 -10.388 562 1HZ LYS 71 1HZ LYS 71 -13.941 12.734 -11.130 563 2HZ LYS 71 2HZ LYS 71 -12.794 13.560 -12.059 564 3HZ LYS 71 3HZ LYS 71 -13.623 14.369 -10.827 565 H HIS 72 H HIS 72 -6.033 13.331 -9.225 566 HA HIS 72 HA HIS 72 -4.617 13.619 -7.458 567 1HB HIS 72 2HB HIS 72 -7.302 14.498 -6.478 568 2HB HIS 72 1HB HIS 72 -5.954 14.462 -5.345 569 HD1 HIS 72 1HD HIS 72 -6.956 17.169 -5.725 570 HD2 HIS 72 2HD HIS 72 -4.258 15.506 -8.414 571 HE1 HIS 72 1HE HIS 72 -5.877 19.119 -6.889 572 HE2 HIS 72 2HE HIS 72 -4.201 18.091 -8.465 573 H PHE 73 H PHE 73 -7.205 12.703 -5.281 574 HA PHE 73 HA PHE 73 -6.956 10.032 -4.961 575 1HB PHE 73 2HB PHE 73 -5.154 9.528 -3.534 576 2HB PHE 73 1HB PHE 73 -4.459 10.605 -4.740 577 HD1 PHE 73 1HD PHE 73 -4.647 9.917 -1.337 578 HD2 PHE 73 2HD PHE 73 -4.593 13.179 -4.069 579 HE1 PHE 73 1HE PHE 73 -3.860 11.403 0.459 580 HE2 PHE 73 2HE PHE 73 -3.806 14.670 -2.278 581 HZ PHE 73 HZ PHE 73 -3.438 13.783 -0.010 582 H ILE 74 H ILE 74 -6.606 9.748 -2.157 583 HA ILE 74 HA ILE 74 -8.112 11.695 -0.736 584 HB ILE 74 HB ILE 74 -9.939 10.649 -2.064 585 1HG1 ILE 74 2HG1 ILE 74 -9.796 10.620 0.923 586 2HG1 ILE 74 1HG1 ILE 74 -10.755 11.639 -0.138 587 1HG2 ILE 74 1HG2 ILE 74 -8.915 8.392 -2.159 588 2HG2 ILE 74 2HG2 ILE 74 -10.601 8.368 -1.642 589 3HG2 ILE 74 3HG2 ILE 74 -9.312 8.174 -0.454 590 1HD1 ILE 74 1HD1 ILE 74 -11.613 8.897 -0.307 591 2HD1 ILE 74 2HD1 ILE 74 -12.526 10.342 0.129 592 3HD1 ILE 74 3HD1 ILE 74 -11.619 9.468 1.362 593 H TYR 75 H TYR 75 -7.635 11.537 1.342 594 HA TYR 75 HA TYR 75 -6.753 8.933 2.394 595 1HB TYR 75 2HB TYR 75 -4.908 10.679 2.059 596 2HB TYR 75 1HB TYR 75 -5.677 11.583 3.360 597 HD1 TYR 75 1HD TYR 75 -4.756 7.999 2.786 598 HD2 TYR 75 2HD TYR 75 -4.586 11.370 5.376 599 HE1 TYR 75 1HE TYR 75 -3.523 6.659 4.439 600 HE2 TYR 75 2HE TYR 75 -3.351 10.040 7.036 601 HH TYR 75 HH TYR 75 -3.172 6.728 6.972 602 H PHE 76 H PHE 76 -7.651 8.313 4.305 603 HA PHE 76 HA PHE 76 -9.010 10.240 5.986 604 1HB PHE 76 2HB PHE 76 -11.126 8.720 5.874 605 2HB PHE 76 1HB PHE 76 -10.867 9.930 4.623 606 HD1 PHE 76 1HD PHE 76 -9.344 8.990 2.602 607 HD2 PHE 76 2HD PHE 76 -11.819 6.660 5.164 608 HE1 PHE 76 1HE PHE 76 -9.473 7.239 0.879 609 HE2 PHE 76 2HE PHE 76 -11.950 4.904 3.445 610 HZ PHE 76 HZ PHE 76 -10.776 5.193 1.299 611 H TYR 77 H TYR 77 -10.059 9.114 7.887 612 HA TYR 77 HA TYR 77 -8.567 6.675 8.596 613 1HB TYR 77 2HB TYR 77 -7.669 8.784 9.670 614 2HB TYR 77 1HB TYR 77 -9.199 8.904 10.533 615 HD1 TYR 77 1HD TYR 77 -9.888 6.819 11.929 616 HD2 TYR 77 2HD TYR 77 -5.918 7.581 10.606 617 HE1 TYR 77 1HE TYR 77 -9.026 5.320 13.677 618 HE2 TYR 77 2HE TYR 77 -5.042 6.084 12.350 619 HH TYR 77 HH TYR 77 -7.202 4.203 14.413 620 H LEU 78 H LEU 78 -10.192 5.206 8.411 621 HA LEU 78 HA LEU 78 -12.875 5.653 9.185 622 1HB LEU 78 2HB LEU 78 -11.312 3.113 8.749 623 2HB LEU 78 1HB LEU 78 -13.028 3.136 9.095 624 HG LEU 78 HG LEU 78 -12.305 2.891 6.651 625 1HD1 LEU 78 1HD1 LEU 78 -14.236 5.081 7.391 626 2HD1 LEU 78 2HD1 LEU 78 -14.595 3.355 7.359 627 3HD1 LEU 78 3HD1 LEU 78 -14.194 4.200 5.864 628 1HD2 LEU 78 1HD2 LEU 78 -11.556 5.738 7.188 629 2HD2 LEU 78 2HD2 LEU 78 -12.103 5.238 5.588 630 3HD2 LEU 78 3HD2 LEU 78 -10.670 4.496 6.301 631 H GLY 79 H GLY 79 -13.764 3.715 10.779 632 1HA GLY 79 2HA GLY 79 -13.199 4.605 13.369 633 2HA GLY 79 1HA GLY 79 -14.020 3.100 12.978 634 H GLN 80 H GLN 80 -10.919 4.600 13.617 635 HA GLN 80 HA GLN 80 -9.057 3.727 14.633 636 1HB GLN 80 2HB GLN 80 -10.713 2.139 15.749 637 2HB GLN 80 1HB GLN 80 -10.325 0.993 14.473 638 1HG GLN 80 2HG GLN 80 -7.945 1.122 15.157 639 2HG GLN 80 1HG GLN 80 -8.431 2.144 16.509 640 1HE2 GLN 80 1HE2 GLN 80 -7.117 -0.020 17.184 641 2HE2 GLN 80 2HE2 GLN 80 -8.155 -1.236 17.840 642 H VAL 81 H VAL 81 -9.753 3.808 11.725 643 HA VAL 81 HA VAL 81 -7.468 2.237 10.791 644 HB VAL 81 HB VAL 81 -10.243 2.122 9.611 645 1HG1 VAL 81 1HG1 VAL 81 -8.903 2.448 7.709 646 2HG1 VAL 81 2HG1 VAL 81 -9.124 0.702 7.820 647 3HG1 VAL 81 3HG1 VAL 81 -7.607 1.434 8.344 648 1HG2 VAL 81 1HG2 VAL 81 -8.385 -0.143 10.283 649 2HG2 VAL 81 2HG2 VAL 81 -10.119 -0.207 9.963 650 3HG2 VAL 81 3HG2 VAL 81 -9.523 0.534 11.448 651 H ALA 82 H ALA 82 -6.862 2.889 8.514 652 HA ALA 82 HA ALA 82 -7.684 5.583 7.764 653 1HB ALA 82 1HB ALA 82 -5.911 6.542 8.717 654 2HB ALA 82 2HB ALA 82 -4.931 5.732 7.495 655 3HB ALA 82 3HB ALA 82 -5.169 4.982 9.074 656 H ILE 83 H ILE 83 -8.112 5.506 5.662 657 HA ILE 83 HA ILE 83 -6.687 3.542 4.005 658 HB ILE 83 HB ILE 83 -9.024 4.954 2.878 659 1HG1 ILE 83 2HG1 ILE 83 -9.670 4.519 5.263 660 2HG1 ILE 83 1HG1 ILE 83 -10.661 3.664 4.083 661 1HG2 ILE 83 1HG2 ILE 83 -7.689 2.326 2.710 662 2HG2 ILE 83 2HG2 ILE 83 -8.379 3.335 1.439 663 3HG2 ILE 83 3HG2 ILE 83 -9.433 2.344 2.447 664 1HD1 ILE 83 1HD1 ILE 83 -8.505 2.551 5.847 665 2HD1 ILE 83 2HD1 ILE 83 -9.176 1.665 4.477 666 3HD1 ILE 83 3HD1 ILE 83 -10.220 2.138 5.818 667 H LEU 84 H LEU 84 -5.598 4.108 2.195 668 HA LEU 84 HA LEU 84 -5.456 6.976 1.537 669 1HB LEU 84 2HB LEU 84 -3.412 6.532 2.609 670 2HB LEU 84 1HB LEU 84 -3.251 4.961 1.846 671 HG LEU 84 HG LEU 84 -3.228 6.638 -0.318 672 1HD1 LEU 84 1HD1 LEU 84 -1.945 8.035 2.013 673 2HD1 LEU 84 2HD1 LEU 84 -3.146 8.664 0.885 674 3HD1 LEU 84 3HD1 LEU 84 -1.497 8.359 0.337 675 1HD2 LEU 84 1HD2 LEU 84 -0.693 6.312 -0.140 676 2HD2 LEU 84 2HD2 LEU 84 -1.705 4.869 -0.192 677 3HD2 LEU 84 3HD2 LEU 84 -1.043 5.425 1.345 678 H LEU 85 H LEU 85 -6.812 6.879 -0.218 679 HA LEU 85 HA LEU 85 -6.200 4.945 -2.333 680 1HB LEU 85 2HB LEU 85 -8.598 6.046 -1.313 681 2HB LEU 85 1HB LEU 85 -8.428 6.626 -2.959 682 HG LEU 85 HG LEU 85 -7.982 4.129 -3.535 683 1HD1 LEU 85 1HD1 LEU 85 -7.922 3.610 -1.011 684 2HD1 LEU 85 2HD1 LEU 85 -8.779 2.505 -2.086 685 3HD1 LEU 85 3HD1 LEU 85 -9.682 3.669 -1.117 686 1HD2 LEU 85 1HD2 LEU 85 -9.961 5.543 -4.155 687 2HD2 LEU 85 2HD2 LEU 85 -10.765 4.924 -2.714 688 3HD2 LEU 85 3HD2 LEU 85 -10.289 3.817 -4.002 689 H PHE 86 H PHE 86 -5.236 5.491 -4.158 690 HA PHE 86 HA PHE 86 -5.473 8.057 -5.363 691 1HB PHE 86 2HB PHE 86 -3.487 9.082 -4.878 692 2HB PHE 86 1HB PHE 86 -3.699 8.190 -3.377 693 HD1 PHE 86 1HD PHE 86 -1.537 8.861 -6.088 694 HD2 PHE 86 2HD PHE 86 -2.580 5.858 -3.260 695 HE1 PHE 86 1HE PHE 86 0.646 7.780 -6.437 696 HE2 PHE 86 2HE PHE 86 -0.399 4.772 -3.602 697 HZ PHE 86 HZ PHE 86 1.217 5.732 -5.193 698 H LYS 87 H LYS 87 -5.504 7.621 -7.455 699 HA LYS 87 HA LYS 87 -3.971 5.316 -8.449 700 1HB LYS 87 2HB LYS 87 -5.514 5.431 -10.412 701 2HB LYS 87 1HB LYS 87 -6.316 5.082 -8.887 702 1HG LYS 87 2HG LYS 87 -6.993 7.439 -8.725 703 2HG LYS 87 1HG LYS 87 -6.233 7.744 -10.289 704 1HD LYS 87 2HD LYS 87 -8.288 5.588 -10.010 705 2HD LYS 87 1HD LYS 87 -8.788 7.273 -10.170 706 1HE LYS 87 2HE LYS 87 -6.821 6.843 -12.129 707 2HE LYS 87 1HE LYS 87 -7.888 5.441 -12.188 708 1HZ LYS 87 1HZ LYS 87 -8.354 7.862 -13.349 709 2HZ LYS 87 2HZ LYS 87 -9.332 7.900 -11.970 710 3HZ LYS 87 3HZ LYS 87 -9.503 6.647 -13.094 711 H SER 88 H SER 88 -2.806 5.479 -10.411 712 HA SER 88 HA SER 88 -1.796 8.178 -10.910 713 1HB SER 88 2HB SER 88 -0.524 5.707 -10.621 714 2HB SER 88 1HB SER 88 -0.414 6.073 -12.342 715 HG SER 88 HG SER 88 0.921 7.178 -10.268 716 H GLY 89 H GLY 89 -4.303 6.852 -11.955 717 1HA GLY 89 2HA GLY 89 -5.435 7.634 -13.918 718 2HA GLY 89 1HA GLY 89 -3.891 7.652 -14.754 719 1H MET 1 1HT MET 1 19.118 3.476 13.483 720 2H MET 1 2HT MET 1 19.657 4.981 12.854 721 3H MET 1 3HT MET 1 19.712 4.683 14.544 722 HA MET 1 HA MET 1 21.854 4.386 13.935 723 1HB MET 1 2HB MET 1 20.866 2.466 15.165 724 2HB MET 1 1HB MET 1 20.561 1.669 13.628 725 1HG MET 1 2HG MET 1 23.102 1.953 13.252 726 2HG MET 1 1HG MET 1 23.161 2.197 14.996 727 1HE MET 1 1HE MET 1 23.335 0.126 16.687 728 2HE MET 1 2HE MET 1 22.111 -1.131 16.501 729 3HE MET 1 3HE MET 1 21.634 0.567 16.536 730 H CYS 2 H CYS 2 23.380 2.950 12.501 731 HA CYS 2 HA CYS 2 22.746 3.639 9.742 732 1HB CYS 2 2HB CYS 2 25.243 2.987 11.245 733 2HB CYS 2 1HB CYS 2 25.220 2.724 9.505 734 HG CYS 2 HG CYS 2 26.034 5.100 9.706 735 H ASP 3 H ASP 3 23.854 1.956 8.133 736 HA ASP 3 HA ASP 3 23.862 -0.131 7.200 737 1HB ASP 3 2HB ASP 3 23.649 -0.770 10.077 738 2HB ASP 3 1HB ASP 3 23.037 -2.007 8.984 739 H ARG 4 H ARG 4 22.246 -2.084 6.922 740 HA ARG 4 HA ARG 4 19.983 -1.287 5.725 741 1HB ARG 4 2HB ARG 4 20.429 -3.796 7.336 742 2HB ARG 4 1HB ARG 4 18.985 -3.539 6.367 743 1HG ARG 4 2HG ARG 4 21.590 -3.155 5.021 744 2HG ARG 4 1HG ARG 4 21.133 -4.806 5.446 745 1HD ARG 4 2HD ARG 4 19.107 -3.086 4.114 746 2HD ARG 4 1HD ARG 4 20.438 -3.709 3.139 747 HE ARG 4 HE ARG 4 18.186 -5.146 3.849 748 1HH1 ARG 4 1HH1 ARG 4 21.639 -5.521 4.096 749 2HH1 ARG 4 2HH1 ARG 4 21.589 -7.249 3.988 750 1HH2 ARG 4 1HH2 ARG 4 18.106 -7.420 3.703 751 2HH2 ARG 4 2HH2 ARG 4 19.579 -8.329 3.764 752 H LYS 5 H LYS 5 19.088 -3.107 8.537 753 HA LYS 5 HA LYS 5 17.787 -2.625 10.360 754 1HB LYS 5 2HB LYS 5 18.888 -0.055 9.678 755 2HB LYS 5 1HB LYS 5 17.210 0.128 10.170 756 1HG LYS 5 2HG LYS 5 18.364 -1.624 12.025 757 2HG LYS 5 1HG LYS 5 19.536 -0.329 11.777 758 1HD LYS 5 2HD LYS 5 18.252 0.606 13.425 759 2HD LYS 5 1HD LYS 5 17.392 1.189 12.000 760 1HE LYS 5 2HE LYS 5 16.089 0.080 13.982 761 2HE LYS 5 1HE LYS 5 15.624 -0.240 12.312 762 1HZ LYS 5 1HZ LYS 5 15.818 -2.373 12.865 763 2HZ LYS 5 2HZ LYS 5 16.658 -2.036 14.294 764 3HZ LYS 5 3HZ LYS 5 17.493 -2.140 12.826 765 H ALA 6 H ALA 6 15.993 -3.677 9.677 766 HA ALA 6 HA ALA 6 13.581 -2.547 9.375 767 1HB ALA 6 1HB ALA 6 14.386 -1.310 7.426 768 2HB ALA 6 2HB ALA 6 13.091 -2.423 6.985 769 3HB ALA 6 3HB ALA 6 14.766 -2.829 6.613 770 H VAL 7 H VAL 7 12.202 -3.994 7.522 771 HA VAL 7 HA VAL 7 13.063 -6.760 7.622 772 HB VAL 7 HB VAL 7 10.526 -5.888 9.012 773 1HG1 VAL 7 1HG1 VAL 7 11.576 -8.687 8.967 774 2HG1 VAL 7 2HG1 VAL 7 10.587 -8.087 7.634 775 3HG1 VAL 7 3HG1 VAL 7 9.939 -8.109 9.274 776 1HG2 VAL 7 1HG2 VAL 7 13.216 -6.722 9.974 777 2HG2 VAL 7 2HG2 VAL 7 11.800 -7.221 10.898 778 3HG2 VAL 7 3HG2 VAL 7 12.111 -5.507 10.618 779 H ILE 8 H ILE 8 13.008 -6.184 5.300 780 HA ILE 8 HA ILE 8 10.771 -5.430 3.875 781 HB ILE 8 HB ILE 8 13.218 -6.973 3.209 782 1HG1 ILE 8 2HG1 ILE 8 12.800 -5.177 1.218 783 2HG1 ILE 8 1HG1 ILE 8 11.904 -4.419 2.531 784 1HG2 ILE 8 1HG2 ILE 8 11.215 -6.745 1.020 785 2HG2 ILE 8 2HG2 ILE 8 11.094 -8.105 2.136 786 3HG2 ILE 8 3HG2 ILE 8 12.569 -7.860 1.201 787 1HD1 ILE 8 1HD1 ILE 8 14.814 -5.180 2.524 788 2HD1 ILE 8 2HD1 ILE 8 13.943 -4.574 3.934 789 3HD1 ILE 8 3HD1 ILE 8 14.131 -3.554 2.507 790 H LYS 9 H LYS 9 9.088 -6.495 2.887 791 HA LYS 9 HA LYS 9 8.665 -9.322 3.504 792 1HB LYS 9 2HB LYS 9 6.344 -7.498 3.908 793 2HB LYS 9 1HB LYS 9 6.693 -9.048 4.659 794 1HG LYS 9 2HG LYS 9 8.699 -7.232 5.480 795 2HG LYS 9 1HG LYS 9 7.138 -6.435 5.674 796 1HD LYS 9 2HD LYS 9 6.335 -8.450 6.896 797 2HD LYS 9 1HD LYS 9 7.972 -9.103 6.806 798 1HE LYS 9 2HE LYS 9 8.641 -7.867 8.532 799 2HE LYS 9 1HE LYS 9 7.987 -6.398 7.808 800 1HZ LYS 9 1HZ LYS 9 6.973 -6.902 9.957 801 2HZ LYS 9 2HZ LYS 9 6.414 -8.382 9.361 802 3HZ LYS 9 3HZ LYS 9 5.827 -6.935 8.711 803 H ASN 10 H ASN 10 8.519 -6.706 1.441 804 HA ASN 10 HA ASN 10 7.450 -8.285 -0.699 805 1HB ASN 10 2HB ASN 10 5.501 -7.105 0.716 806 2HB ASN 10 1HB ASN 10 5.916 -5.764 -0.348 807 1HD2 ASN 10 1HD2 ASN 10 6.679 -8.554 -1.918 808 2HD2 ASN 10 2HD2 ASN 10 5.229 -8.774 -2.832 809 H ALA 11 H ALA 11 9.746 -7.653 -1.135 810 HA ALA 11 HA ALA 11 9.904 -4.954 -2.301 811 1HB ALA 11 1HB ALA 11 12.338 -6.574 -1.718 812 2HB ALA 11 2HB ALA 11 11.500 -5.756 -0.400 813 3HB ALA 11 3HB ALA 11 12.132 -4.822 -1.755 814 H ASP 12 H ASP 12 9.056 -5.482 -4.325 815 HA ASP 12 HA ASP 12 10.359 -7.572 -5.876 816 1HB ASP 12 2HB ASP 12 8.120 -5.711 -6.698 817 2HB ASP 12 1HB ASP 12 8.642 -7.163 -7.545 818 H MET 13 H MET 13 11.744 -5.116 -5.040 819 HA MET 13 HA MET 13 12.337 -3.933 -7.670 820 1HB MET 13 2HB MET 13 11.647 -2.191 -6.249 821 2HB MET 13 1HB MET 13 12.520 -2.848 -4.872 822 1HG MET 13 2HG MET 13 14.518 -1.976 -5.539 823 2HG MET 13 1HG MET 13 14.080 -1.986 -7.246 824 1HE MET 13 1HE MET 13 12.483 -0.910 -4.086 825 2HE MET 13 2HE MET 13 11.846 0.704 -4.401 826 3HE MET 13 3HE MET 13 13.503 0.506 -3.833 827 H SER 14 H SER 14 14.678 -3.125 -7.810 828 HA SER 14 HA SER 14 16.419 -5.281 -7.808 829 1HB SER 14 2HB SER 14 16.846 -3.301 -9.158 830 2HB SER 14 1HB SER 14 17.070 -2.325 -7.706 831 HG SER 14 HG SER 14 18.716 -4.340 -7.467 832 H GLU 15 H GLU 15 17.607 -6.268 -6.302 833 HA GLU 15 HA GLU 15 17.312 -6.116 -3.642 834 1HB GLU 15 2HB GLU 15 20.033 -6.540 -4.876 835 2HB GLU 15 1HB GLU 15 19.434 -7.197 -3.359 836 1HG GLU 15 2HG GLU 15 17.667 -8.373 -4.786 837 2HG GLU 15 1HG GLU 15 18.700 -7.972 -6.156 838 H GLU 16 H GLU 16 20.187 -4.608 -5.115 839 HA GLU 16 HA GLU 16 21.026 -3.119 -2.984 840 1HB GLU 16 2HB GLU 16 21.095 -2.347 -5.907 841 2HB GLU 16 1HB GLU 16 22.025 -1.550 -4.645 842 1HG GLU 16 2HG GLU 16 23.145 -3.694 -4.164 843 2HG GLU 16 1HG GLU 16 22.265 -4.424 -5.505 844 H MET 17 H MET 17 18.289 -2.532 -5.035 845 HA MET 17 HA MET 17 17.897 0.198 -4.287 846 1HB MET 17 2HB MET 17 16.256 -1.864 -5.715 847 2HB MET 17 1HB MET 17 15.512 -0.356 -5.196 848 1HG MET 17 2HG MET 17 17.965 0.244 -6.506 849 2HG MET 17 1HG MET 17 17.036 -0.862 -7.516 850 1HE MET 17 1HE MET 17 15.302 3.061 -5.870 851 2HE MET 17 2HE MET 17 16.468 2.008 -5.069 852 3HE MET 17 3HE MET 17 14.779 1.518 -5.195 853 H GLN 18 H GLN 18 16.447 -2.885 -3.272 854 HA GLN 18 HA GLN 18 14.604 -1.793 -1.452 855 1HB GLN 18 2HB GLN 18 15.293 -4.275 -0.406 856 2HB GLN 18 1HB GLN 18 13.991 -3.940 -1.538 857 1HG GLN 18 2HG GLN 18 16.398 -4.155 -3.018 858 2HG GLN 18 1HG GLN 18 16.305 -5.526 -1.913 859 1HE2 GLN 18 1HE2 GLN 18 13.721 -3.743 -3.529 860 2HE2 GLN 18 2HE2 GLN 18 13.093 -5.092 -4.405 861 H GLN 19 H GLN 19 18.012 -2.486 -1.192 862 HA GLN 19 HA GLN 19 18.096 -2.244 1.671 863 1HB GLN 19 2HB GLN 19 20.222 -2.354 -0.465 864 2HB GLN 19 1HB GLN 19 20.611 -2.089 1.229 865 1HG GLN 19 2HG GLN 19 19.465 -4.230 1.760 866 2HG GLN 19 1HG GLN 19 19.275 -4.501 0.029 867 1HE2 GLN 19 1HE2 GLN 19 20.501 -6.469 0.621 868 2HE2 GLN 19 2HE2 GLN 19 22.227 -6.384 0.603 869 H ASP 20 H ASP 20 18.815 -0.208 -1.113 870 HA ASP 20 HA ASP 20 19.753 2.003 0.401 871 1HB ASP 20 2HB ASP 20 19.590 1.347 -2.317 872 2HB ASP 20 1HB ASP 20 18.564 2.766 -2.134 873 H SER 21 H SER 21 16.647 0.833 -0.591 874 HA SER 21 HA SER 21 15.176 3.219 -0.147 875 1HB SER 21 2HB SER 21 14.130 1.566 -1.502 876 2HB SER 21 1HB SER 21 14.380 0.310 -0.290 877 HG SER 21 HG SER 21 12.442 0.823 0.333 878 H VAL 22 H VAL 22 15.754 0.317 1.823 879 HA VAL 22 HA VAL 22 14.285 1.089 4.069 880 HB VAL 22 HB VAL 22 16.789 -0.594 3.928 881 1HG1 VAL 22 1HG1 VAL 22 16.486 -1.237 6.133 882 2HG1 VAL 22 2HG1 VAL 22 14.813 -0.680 6.171 883 3HG1 VAL 22 3HG1 VAL 22 16.132 0.491 6.186 884 1HG2 VAL 22 1HG2 VAL 22 14.233 -1.880 4.507 885 2HG2 VAL 22 2HG2 VAL 22 15.496 -2.332 3.363 886 3HG2 VAL 22 3HG2 VAL 22 14.296 -1.120 2.917 887 H GLU 23 H GLU 23 17.668 1.711 3.201 888 HA GLU 23 HA GLU 23 18.400 3.041 5.571 889 1HB GLU 23 2HB GLU 23 19.447 3.219 2.744 890 2HB GLU 23 1HB GLU 23 20.160 4.123 4.072 891 1HG GLU 23 2HG GLU 23 19.817 1.232 4.518 892 2HG GLU 23 1HG GLU 23 20.996 1.696 3.293 893 H CYS 24 H CYS 24 16.805 4.102 2.635 894 HA CYS 24 HA CYS 24 16.910 6.891 3.233 895 1HB CYS 24 2HB CYS 24 15.197 5.267 1.346 896 2HB CYS 24 1HB CYS 24 15.076 7.018 1.479 897 HG CYS 24 HG CYS 24 17.049 7.251 0.049 898 H ALA 25 H ALA 25 14.695 4.257 3.904 899 HA ALA 25 HA ALA 25 12.594 5.887 4.959 900 1HB ALA 25 1HB ALA 25 13.018 3.108 4.437 901 2HB ALA 25 2HB ALA 25 11.507 3.941 4.807 902 3HB ALA 25 3HB ALA 25 12.502 3.298 6.114 903 H THR 26 H THR 26 15.472 4.351 6.085 904 HA THR 26 HA THR 26 15.025 4.691 8.878 905 HB THR 26 HB THR 26 17.593 4.295 7.331 906 HG1 THR 26 1HG THR 26 17.065 2.275 7.247 907 1HG2 THR 26 1HG2 THR 26 18.070 3.111 9.655 908 2HG2 THR 26 2HG2 THR 26 17.000 4.399 10.211 909 3HG2 THR 26 3HG2 THR 26 18.477 4.797 9.332 910 H GLN 27 H GLN 27 16.738 6.472 6.348 911 HA GLN 27 HA GLN 27 17.968 8.429 7.876 912 1HB GLN 27 2HB GLN 27 16.705 8.675 5.136 913 2HB GLN 27 1HB GLN 27 17.773 9.876 5.848 914 1HG GLN 27 2HG GLN 27 19.021 7.305 5.951 915 2HG GLN 27 1HG GLN 27 18.468 7.638 4.311 916 1HE2 GLN 27 1HE2 GLN 27 18.733 10.468 4.462 917 2HE2 GLN 27 2HE2 GLN 27 20.421 10.830 4.463 918 H ALA 28 H ALA 28 14.699 8.317 6.536 919 HA ALA 28 HA ALA 28 13.841 10.815 7.555 920 1HB ALA 28 1HB ALA 28 12.157 8.385 6.937 921 2HB ALA 28 2HB ALA 28 12.678 9.580 5.749 922 3HB ALA 28 3HB ALA 28 11.597 10.053 7.060 923 H LEU 29 H LEU 29 13.835 7.535 8.813 924 HA LEU 29 HA LEU 29 12.270 7.993 11.107 925 1HB LEU 29 2HB LEU 29 14.299 5.929 10.344 926 2HB LEU 29 1HB LEU 29 13.625 5.954 11.963 927 HG LEU 29 HG LEU 29 11.614 6.058 9.831 928 1HD1 LEU 29 1HD1 LEU 29 11.831 3.604 9.405 929 2HD1 LEU 29 2HD1 LEU 29 13.433 3.686 10.136 930 3HD1 LEU 29 3HD1 LEU 29 13.085 4.603 8.671 931 1HD2 LEU 29 1HD2 LEU 29 11.848 4.070 12.056 932 2HD2 LEU 29 2HD2 LEU 29 10.397 4.718 11.290 933 3HD2 LEU 29 3HD2 LEU 29 11.354 5.734 12.370 934 H GLU 30 H GLU 30 15.661 8.443 10.399 935 HA GLU 30 HA GLU 30 16.420 8.924 13.131 936 1HB GLU 30 2HB GLU 30 17.753 8.506 10.639 937 2HB GLU 30 1HB GLU 30 18.332 10.018 11.326 938 1HG GLU 30 2HG GLU 30 18.190 7.539 12.991 939 2HG GLU 30 1HG GLU 30 19.549 7.826 11.905 940 H LYS 31 H LYS 31 15.433 10.838 10.376 941 HA LYS 31 HA LYS 31 16.115 13.343 11.663 942 1HB LYS 31 2HB LYS 31 14.571 12.853 9.110 943 2HB LYS 31 1HB LYS 31 15.215 14.396 9.655 944 1HG LYS 31 2HG LYS 31 16.761 11.975 8.768 945 2HG LYS 31 1HG LYS 31 16.665 13.548 7.974 946 1HD LYS 31 2HD LYS 31 17.977 14.583 9.614 947 2HD LYS 31 1HD LYS 31 17.727 13.272 10.769 948 1HE LYS 31 2HE LYS 31 19.568 12.258 10.054 949 2HE LYS 31 1HE LYS 31 18.928 12.206 8.412 950 1HZ LYS 31 1HZ LYS 31 20.061 14.072 7.812 951 2HZ LYS 31 2HZ LYS 31 21.138 13.469 8.969 952 3HZ LYS 31 3HZ LYS 31 20.078 14.724 9.374 953 H TYR 32 H TYR 32 13.456 11.200 11.497 954 HA TYR 32 HA TYR 32 11.940 12.753 13.344 955 1HB TYR 32 2HB TYR 32 10.090 12.339 11.189 956 2HB TYR 32 1HB TYR 32 10.500 13.833 12.021 957 HD1 TYR 32 1HD TYR 32 11.682 15.515 10.915 958 HD2 TYR 32 2HD TYR 32 11.603 11.599 9.254 959 HE1 TYR 32 1HE TYR 32 12.751 16.368 8.873 960 HE2 TYR 32 2HE TYR 32 12.674 12.441 7.207 961 HH TYR 32 HH TYR 32 12.729 15.419 6.254 962 H ASN 33 H ASN 33 9.860 11.665 13.905 963 HA ASN 33 HA ASN 33 9.974 8.784 13.312 964 1HB ASN 33 2HB ASN 33 10.712 9.615 15.685 965 2HB ASN 33 1HB ASN 33 8.981 9.786 15.958 966 1HD2 ASN 33 1HD2 ASN 33 8.130 8.118 16.943 967 2HD2 ASN 33 2HD2 ASN 33 8.609 6.468 16.764 968 H ILE 34 H ILE 34 8.398 10.946 12.106 969 HA ILE 34 HA ILE 34 5.679 10.198 12.939 970 HB ILE 34 HB ILE 34 6.152 12.354 10.943 971 1HG1 ILE 34 2HG1 ILE 34 7.825 12.709 12.777 972 2HG1 ILE 34 1HG1 ILE 34 6.646 14.005 12.609 973 1HG2 ILE 34 1HG2 ILE 34 4.130 13.187 11.677 974 2HG2 ILE 34 2HG2 ILE 34 4.287 12.447 13.270 975 3HG2 ILE 34 3HG2 ILE 34 3.903 11.448 11.868 976 1HD1 ILE 34 1HD1 ILE 34 5.734 12.009 14.469 977 2HD1 ILE 34 2HD1 ILE 34 5.961 13.744 14.691 978 3HD1 ILE 34 3HD1 ILE 34 7.318 12.640 14.921 979 H GLU 35 H GLU 35 4.976 8.473 11.844 980 HA GLU 35 HA GLU 35 5.767 7.210 9.667 981 1HB GLU 35 2HB GLU 35 2.845 7.819 9.680 982 2HB GLU 35 1HB GLU 35 3.666 6.282 9.449 983 1HG GLU 35 2HG GLU 35 2.929 5.872 11.523 984 2HG GLU 35 1HG GLU 35 4.350 6.802 11.997 985 H LYS 36 H LYS 36 3.191 9.630 9.190 986 HA LYS 36 HA LYS 36 3.314 9.877 6.483 987 1HB LYS 36 2HB LYS 36 3.053 12.376 8.112 988 2HB LYS 36 1HB LYS 36 2.144 11.873 6.693 989 1HG LYS 36 2HG LYS 36 1.803 10.118 9.005 990 2HG LYS 36 1HG LYS 36 1.241 11.772 9.258 991 1HD LYS 36 2HD LYS 36 0.498 10.372 6.734 992 2HD LYS 36 1HD LYS 36 -0.342 9.939 8.225 993 1HE LYS 36 2HE LYS 36 -1.254 12.057 8.476 994 2HE LYS 36 1HE LYS 36 -0.038 12.810 7.445 995 1HZ LYS 36 1HZ LYS 36 -1.508 10.890 5.977 996 2HZ LYS 36 2HZ LYS 36 -1.355 12.551 5.698 997 3HZ LYS 36 3HZ LYS 36 -2.574 11.975 6.718 998 H ASP 37 H ASP 37 5.262 11.715 8.823 999 HA ASP 37 HA ASP 37 6.708 13.263 7.021 1000 1HB ASP 37 2HB ASP 37 6.673 13.015 9.730 1001 2HB ASP 37 1HB ASP 37 8.228 12.277 9.353 1002 H ILE 38 H ILE 38 7.824 10.251 8.583 1003 HA ILE 38 HA ILE 38 10.161 9.855 7.226 1004 HB ILE 38 HB ILE 38 8.309 7.539 7.702 1005 1HG1 ILE 38 2HG1 ILE 38 10.027 8.555 9.918 1006 2HG1 ILE 38 1HG1 ILE 38 8.504 9.384 9.613 1007 1HG2 ILE 38 1HG2 ILE 38 10.333 6.348 8.210 1008 2HG2 ILE 38 2HG2 ILE 38 11.277 7.836 8.133 1009 3HG2 ILE 38 3HG2 ILE 38 10.540 7.183 6.670 1010 1HD1 ILE 38 1HD1 ILE 38 8.919 7.074 11.119 1011 2HD1 ILE 38 2HD1 ILE 38 8.098 6.545 9.649 1012 3HD1 ILE 38 3HD1 ILE 38 7.377 7.799 10.660 1013 H ALA 39 H ALA 39 6.998 8.533 6.223 1014 HA ALA 39 HA ALA 39 7.670 7.347 3.863 1015 1HB ALA 39 1HB ALA 39 5.224 9.008 3.754 1016 2HB ALA 39 2HB ALA 39 5.332 7.837 5.069 1017 3HB ALA 39 3HB ALA 39 5.453 7.296 3.394 1018 H ALA 40 H ALA 40 6.959 10.789 4.355 1019 HA ALA 40 HA ALA 40 7.332 11.571 1.665 1020 1HB ALA 40 1HB ALA 40 6.244 12.841 3.655 1021 2HB ALA 40 2HB ALA 40 7.099 13.750 2.409 1022 3HB ALA 40 3HB ALA 40 7.884 13.417 3.953 1023 H HIS 41 H HIS 41 9.444 12.241 4.453 1024 HA HIS 41 HA HIS 41 11.669 13.190 3.293 1025 1HB HIS 41 2HB HIS 41 11.703 12.910 5.644 1026 2HB HIS 41 1HB HIS 41 11.420 11.177 5.523 1027 HD1 HIS 41 1HD HIS 41 13.974 13.270 6.520 1028 HD2 HIS 41 2HD HIS 41 13.851 10.100 3.839 1029 HE1 HIS 41 1HE HIS 41 16.349 12.471 6.316 1030 HE2 HIS 41 2HE HIS 41 16.240 10.508 4.742 1031 H ILE 42 H ILE 42 10.586 9.854 3.170 1032 HA ILE 42 HA ILE 42 12.961 8.835 1.949 1033 HB ILE 42 HB ILE 42 10.179 7.653 1.984 1034 1HG1 ILE 42 2HG1 ILE 42 12.477 6.838 3.745 1035 2HG1 ILE 42 1HG1 ILE 42 11.406 8.154 4.212 1036 1HG2 ILE 42 1HG2 ILE 42 11.411 5.509 1.614 1037 2HG2 ILE 42 2HG2 ILE 42 12.862 6.465 1.308 1038 3HG2 ILE 42 3HG2 ILE 42 11.460 6.627 0.251 1039 1HD1 ILE 42 1HD1 ILE 42 10.297 6.486 5.232 1040 2HD1 ILE 42 2HD1 ILE 42 10.929 5.252 4.144 1041 3HD1 ILE 42 3HD1 ILE 42 9.587 6.273 3.632 1042 H LYS 43 H LYS 43 9.658 9.071 0.616 1043 HA LYS 43 HA LYS 43 10.263 8.690 -2.033 1044 1HB LYS 43 2HB LYS 43 8.197 9.894 -2.563 1045 2HB LYS 43 1HB LYS 43 7.968 8.828 -1.184 1046 1HG LYS 43 2HG LYS 43 6.863 10.803 -0.611 1047 2HG LYS 43 1HG LYS 43 8.391 10.874 0.268 1048 1HD LYS 43 2HD LYS 43 8.389 12.976 -0.610 1049 2HD LYS 43 1HD LYS 43 9.163 12.122 -1.947 1050 1HE LYS 43 2HE LYS 43 7.223 12.131 -3.236 1051 2HE LYS 43 1HE LYS 43 6.185 12.424 -1.843 1052 1HZ LYS 43 1HZ LYS 43 6.397 14.396 -3.218 1053 2HZ LYS 43 2HZ LYS 43 8.078 14.383 -3.027 1054 3HZ LYS 43 3HZ LYS 43 7.078 14.664 -1.692 1055 H LYS 44 H LYS 44 10.935 11.438 -0.060 1056 HA LYS 44 HA LYS 44 11.310 13.308 -2.193 1057 1HB LYS 44 2HB LYS 44 10.775 14.012 0.118 1058 2HB LYS 44 1HB LYS 44 12.339 13.407 0.647 1059 1HG LYS 44 2HG LYS 44 12.975 15.105 -1.432 1060 2HG LYS 44 1HG LYS 44 11.646 15.926 -0.611 1061 1HD LYS 44 2HD LYS 44 12.814 15.905 1.468 1062 2HD LYS 44 1HD LYS 44 14.053 14.825 0.827 1063 1HE LYS 44 2HE LYS 44 13.682 17.350 -0.644 1064 2HE LYS 44 1HE LYS 44 14.311 17.513 0.995 1065 1HZ LYS 44 1HZ LYS 44 16.004 17.245 -0.829 1066 2HZ LYS 44 2HZ LYS 44 15.486 15.642 -0.975 1067 3HZ LYS 44 3HZ LYS 44 16.159 16.183 0.478 1068 H GLU 45 H GLU 45 13.598 11.711 0.016 1069 HA GLU 45 HA GLU 45 15.912 12.495 -1.381 1070 1HB GLU 45 2HB GLU 45 15.252 10.717 0.838 1071 2HB GLU 45 1HB GLU 45 16.594 10.121 -0.130 1072 1HG GLU 45 2HG GLU 45 17.801 12.185 0.202 1073 2HG GLU 45 1HG GLU 45 16.435 12.874 1.076 1074 H PHE 46 H PHE 46 13.708 9.828 -1.785 1075 HA PHE 46 HA PHE 46 15.368 8.243 -3.463 1076 1HB PHE 46 2HB PHE 46 12.663 8.153 -2.438 1077 2HB PHE 46 1HB PHE 46 12.705 7.695 -4.137 1078 HD1 PHE 46 1HD PHE 46 13.442 6.709 -0.766 1079 HD2 PHE 46 2HD PHE 46 14.190 5.820 -4.858 1080 HE1 PHE 46 1HE PHE 46 14.223 4.466 -0.131 1081 HE2 PHE 46 2HE PHE 46 14.972 3.573 -4.233 1082 HZ PHE 46 HZ PHE 46 14.989 2.895 -1.866 1083 H ASP 47 H ASP 47 12.866 10.658 -4.072 1084 HA ASP 47 HA ASP 47 12.809 10.415 -6.871 1085 1HB ASP 47 2HB ASP 47 11.008 11.649 -6.286 1086 2HB ASP 47 1HB ASP 47 11.799 12.299 -4.854 1087 H LYS 48 H LYS 48 14.832 12.339 -4.716 1088 HA LYS 48 HA LYS 48 16.114 13.643 -6.975 1089 1HB LYS 48 2HB LYS 48 16.071 14.021 -4.041 1090 2HB LYS 48 1HB LYS 48 17.564 14.464 -4.857 1091 1HG LYS 48 2HG LYS 48 14.841 15.491 -5.623 1092 2HG LYS 48 1HG LYS 48 15.980 16.343 -4.578 1093 1HD LYS 48 2HD LYS 48 16.760 15.425 -7.327 1094 2HD LYS 48 1HD LYS 48 15.930 16.962 -7.070 1095 1HE LYS 48 2HE LYS 48 17.908 17.071 -5.196 1096 2HE LYS 48 1HE LYS 48 18.701 16.190 -6.501 1097 1HZ LYS 48 1HZ LYS 48 17.258 18.742 -6.930 1098 2HZ LYS 48 2HZ LYS 48 18.315 17.959 -7.991 1099 3HZ LYS 48 3HZ LYS 48 18.911 18.671 -6.578 1100 H LYS 49 H LYS 49 16.671 10.960 -4.864 1101 HA LYS 49 HA LYS 49 19.499 10.829 -5.525 1102 1HB LYS 49 2HB LYS 49 18.175 10.139 -3.282 1103 2HB LYS 49 1HB LYS 49 18.215 8.580 -4.093 1104 1HG LYS 49 2HG LYS 49 20.779 9.980 -4.103 1105 2HG LYS 49 1HG LYS 49 20.179 9.585 -2.491 1106 1HD LYS 49 2HD LYS 49 20.497 7.378 -2.783 1107 2HD LYS 49 1HD LYS 49 19.914 7.417 -4.448 1108 1HE LYS 49 2HE LYS 49 21.990 7.850 -5.310 1109 2HE LYS 49 1HE LYS 49 22.547 8.660 -3.847 1110 1HZ LYS 49 1HZ LYS 49 22.735 6.532 -2.756 1111 2HZ LYS 49 2HZ LYS 49 23.629 6.510 -4.192 1112 3HZ LYS 49 3HZ LYS 49 22.129 5.732 -4.118 1113 H TYR 50 H TYR 50 16.584 9.689 -6.836 1114 HA TYR 50 HA TYR 50 18.079 7.694 -8.402 1115 1HB TYR 50 2HB TYR 50 15.188 7.459 -7.556 1116 2HB TYR 50 1HB TYR 50 16.112 6.273 -8.473 1117 HD1 TYR 50 1HD TYR 50 16.930 4.462 -7.304 1118 HD2 TYR 50 2HD TYR 50 16.369 8.140 -5.240 1119 HE1 TYR 50 1HE TYR 50 17.638 3.387 -5.210 1120 HE2 TYR 50 2HE TYR 50 17.074 7.075 -3.138 1121 HH TYR 50 HH TYR 50 18.752 4.555 -2.826 1122 H ASN 51 H ASN 51 14.793 9.082 -8.584 1123 HA ASN 51 HA ASN 51 14.997 10.869 -10.583 1124 1HB ASN 51 2HB ASN 51 15.494 8.167 -11.611 1125 2HB ASN 51 1HB ASN 51 14.206 9.011 -12.466 1126 1HD2 ASN 51 1HD2 ASN 51 16.494 8.342 -13.772 1127 2HD2 ASN 51 2HD2 ASN 51 17.410 9.763 -14.127 1128 HA PRO 52 HA PRO 52 10.810 10.964 -8.990 1129 1HB PRO 52 2HB PRO 52 10.640 12.417 -11.604 1130 2HB PRO 52 1HB PRO 52 9.890 12.814 -10.053 1131 1HG PRO 52 2HG PRO 52 12.119 14.043 -10.870 1132 2HG PRO 52 1HG PRO 52 11.850 13.647 -9.164 1133 1HD PRO 52 2HD PRO 52 13.742 12.462 -11.083 1134 2HD PRO 52 1HD PRO 52 13.762 12.425 -9.310 1135 H THR 53 H THR 53 8.677 8.852 -10.832 1136 HA THR 53 HA THR 53 9.370 10.625 -8.594 1137 HB THR 53 HB THR 53 6.764 10.253 -10.033 1138 HG1 THR 53 1HG THR 53 7.880 12.582 -8.891 1139 1HG2 THR 53 1HG2 THR 53 6.861 11.514 -7.320 1140 2HG2 THR 53 2HG2 THR 53 6.437 9.817 -7.547 1141 3HG2 THR 53 3HG2 THR 53 5.457 11.079 -8.292 1142 H TRP 54 H TRP 54 9.200 9.782 -6.582 1143 HA TRP 54 HA TRP 54 8.516 6.937 -6.443 1144 1HB TRP 54 2HB TRP 54 10.152 8.662 -4.580 1145 2HB TRP 54 1HB TRP 54 9.808 6.954 -4.323 1146 HD1 TRP 54 HD TRP 54 11.620 9.219 -6.888 1147 HE1 TRP 54 1HE TRP 54 13.537 7.857 -7.928 1148 HE3 TRP 54 3HE TRP 54 10.713 4.715 -4.655 1149 HZ2 TRP 54 2HZ TRP 54 14.540 5.216 -7.811 1150 HZ3 TRP 54 3HZ TRP 54 12.194 2.821 -5.170 1151 HH2 TRP 54 HH TRP 54 14.065 3.065 -6.718 1152 H HIS 55 H HIS 55 6.850 6.217 -5.360 1153 HA HIS 55 HA HIS 55 5.412 8.041 -3.546 1154 1HB HIS 55 2HB HIS 55 4.108 5.625 -4.754 1155 2HB HIS 55 1HB HIS 55 3.377 7.139 -4.232 1156 HD1 HIS 55 1HD HIS 55 3.496 9.146 -5.903 1157 HD2 HIS 55 2HD HIS 55 4.957 5.554 -7.397 1158 HE1 HIS 55 1HE HIS 55 3.683 9.478 -8.389 1159 HE2 HIS 55 2HE HIS 55 4.680 7.333 -9.254 1160 H CYS 56 H CYS 56 5.756 7.491 -1.470 1161 HA CYS 56 HA CYS 56 6.014 4.634 -0.838 1162 1HB CYS 56 2HB CYS 56 7.656 6.403 0.812 1163 2HB CYS 56 1HB CYS 56 8.046 4.854 0.071 1164 HG CYS 56 HG CYS 56 9.254 6.041 -1.688 1165 H ILE 57 H ILE 57 5.985 4.247 1.525 1166 HA ILE 57 HA ILE 57 4.417 6.119 3.101 1167 HB ILE 57 HB ILE 57 3.410 3.361 2.421 1168 1HG1 ILE 57 2HG1 ILE 57 2.346 6.143 1.914 1169 2HG1 ILE 57 1HG1 ILE 57 2.933 5.003 0.708 1170 1HG2 ILE 57 1HG2 ILE 57 2.661 3.409 4.552 1171 2HG2 ILE 57 2HG2 ILE 57 1.429 4.477 3.877 1172 3HG2 ILE 57 3HG2 ILE 57 2.840 5.158 4.687 1173 1HD1 ILE 57 1HD1 ILE 57 0.923 4.142 0.503 1174 2HD1 ILE 57 2HD1 ILE 57 0.320 5.361 1.627 1175 3HD1 ILE 57 3HD1 ILE 57 0.855 3.791 2.230 1176 H VAL 58 H VAL 58 4.143 5.268 5.381 1177 HA VAL 58 HA VAL 58 5.875 3.134 6.212 1178 HB VAL 58 HB VAL 58 7.631 4.704 5.978 1179 1HG1 VAL 58 1HG1 VAL 58 6.566 6.792 7.736 1180 2HG1 VAL 58 2HG1 VAL 58 5.727 6.626 6.193 1181 3HG1 VAL 58 3HG1 VAL 58 7.465 6.924 6.224 1182 1HG2 VAL 58 1HG2 VAL 58 7.386 5.311 8.794 1183 2HG2 VAL 58 2HG2 VAL 58 8.518 4.241 7.968 1184 3HG2 VAL 58 3HG2 VAL 58 6.933 3.640 8.451 1185 H GLY 59 H GLY 59 4.723 2.180 7.741 1186 1HA GLY 59 2HA GLY 59 3.460 3.868 9.793 1187 2HA GLY 59 1HA GLY 59 2.523 2.614 8.995 1188 H ARG 60 H ARG 60 2.444 0.703 9.988 1189 HA ARG 60 HA ARG 60 4.563 -0.682 11.086 1190 1HB ARG 60 2HB ARG 60 4.028 -0.370 13.517 1191 2HB ARG 60 1HB ARG 60 4.787 1.006 12.728 1192 1HG ARG 60 2HG ARG 60 2.226 1.670 12.374 1193 2HG ARG 60 1HG ARG 60 2.077 0.725 13.858 1194 1HD ARG 60 2HD ARG 60 3.193 2.251 15.098 1195 2HD ARG 60 1HD ARG 60 4.291 2.671 13.783 1196 HE ARG 60 HE ARG 60 2.543 4.090 12.889 1197 1HH1 ARG 60 1HH1 ARG 60 2.119 2.951 16.150 1198 2HH1 ARG 60 2HH1 ARG 60 1.018 4.215 16.588 1199 1HH2 ARG 60 1HH2 ARG 60 1.094 5.760 13.452 1200 2HH2 ARG 60 2HH2 ARG 60 0.436 5.813 15.053 1201 H ASN 61 H ASN 61 1.350 -0.279 10.343 1202 HA ASN 61 HA ASN 61 0.751 -3.028 10.694 1203 1HB ASN 61 2HB ASN 61 -1.327 -2.182 12.254 1204 2HB ASN 61 1HB ASN 61 0.141 -2.940 12.865 1205 1HD2 ASN 61 1HD2 ASN 61 -0.234 -1.812 14.833 1206 2HD2 ASN 61 2HD2 ASN 61 0.202 -0.147 14.986 1207 H PHE 62 H PHE 62 0.635 -1.037 8.612 1208 HA PHE 62 HA PHE 62 -2.244 -0.733 8.166 1209 1HB PHE 62 2HB PHE 62 -1.733 0.924 6.562 1210 2HB PHE 62 1HB PHE 62 -0.604 1.207 7.885 1211 HD1 PHE 62 1HD PHE 62 1.716 1.122 7.537 1212 HD2 PHE 62 2HD PHE 62 -0.933 -0.291 4.523 1213 HE1 PHE 62 1HE PHE 62 3.600 0.957 5.961 1214 HE2 PHE 62 2HE PHE 62 0.943 -0.459 2.946 1215 HZ PHE 62 HZ PHE 62 3.214 0.164 3.662 1216 H GLY 63 H GLY 63 -2.404 -0.685 5.453 1217 1HA GLY 63 2HA GLY 63 -1.260 -3.176 4.435 1218 2HA GLY 63 1HA GLY 63 -3.014 -3.085 4.543 1219 H SER 64 H SER 64 -0.197 -2.093 2.825 1220 HA SER 64 HA SER 64 -1.562 -0.168 1.173 1221 1HB SER 64 2HB SER 64 0.635 -0.285 -0.146 1222 2HB SER 64 1HB SER 64 0.719 0.312 1.511 1223 HG SER 64 HG SER 64 1.134 -2.076 1.959 1224 H TYR 65 H TYR 65 -2.002 -0.336 -1.018 1225 HA TYR 65 HA TYR 65 -1.727 -2.879 -2.370 1226 1HB TYR 65 2HB TYR 65 -3.923 -2.861 -0.988 1227 2HB TYR 65 1HB TYR 65 -4.497 -1.721 -2.201 1228 HD1 TYR 65 1HD TYR 65 -3.070 -5.131 -1.811 1229 HD2 TYR 65 2HD TYR 65 -5.380 -2.498 -4.225 1230 HE1 TYR 65 1HE TYR 65 -3.671 -7.011 -3.276 1231 HE2 TYR 65 2HE TYR 65 -5.989 -4.372 -5.696 1232 HH TYR 65 HH TYR 65 -5.719 -7.497 -4.903 1233 H VAL 66 H VAL 66 -0.316 -1.171 -3.391 1234 HA VAL 66 HA VAL 66 -1.846 0.407 -5.352 1235 HB VAL 66 HB VAL 66 -0.024 1.950 -5.483 1236 1HG1 VAL 66 1HG1 VAL 66 0.081 2.785 -3.166 1237 2HG1 VAL 66 2HG1 VAL 66 -0.608 1.261 -2.605 1238 3HG1 VAL 66 3HG1 VAL 66 -1.554 2.327 -3.643 1239 1HG2 VAL 66 1HG2 VAL 66 1.455 -0.234 -4.183 1240 2HG2 VAL 66 2HG2 VAL 66 1.855 1.386 -3.614 1241 3HG2 VAL 66 3HG2 VAL 66 2.008 0.990 -5.325 1242 H THR 67 H THR 67 -1.135 0.464 -7.508 1243 HA THR 67 HA THR 67 0.021 -1.996 -8.431 1244 HB THR 67 HB THR 67 -1.780 -1.020 -9.698 1245 HG1 THR 67 1HG THR 67 -0.894 -1.513 -11.541 1246 1HG2 THR 67 1HG2 THR 67 -1.065 1.098 -11.080 1247 2HG2 THR 67 2HG2 THR 67 -0.085 1.408 -9.646 1248 3HG2 THR 67 3HG2 THR 67 -1.835 1.238 -9.500 1249 H HIS 68 H HIS 68 2.122 -2.381 -8.639 1250 HA HIS 68 HA HIS 68 4.030 -0.209 -8.545 1251 1HB HIS 68 2HB HIS 68 5.476 -2.525 -9.005 1252 2HB HIS 68 1HB HIS 68 5.125 -1.822 -7.429 1253 HD1 HIS 68 1HD HIS 68 2.642 -3.681 -9.596 1254 HD2 HIS 68 2HD HIS 68 4.706 -4.131 -6.017 1255 HE1 HIS 68 1HE HIS 68 1.682 -5.742 -8.521 1256 HE2 HIS 68 2HE HIS 68 2.993 -6.032 -6.388 1257 H GLU 69 H GLU 69 5.565 0.275 -10.141 1258 HA GLU 69 HA GLU 69 5.055 -0.881 -12.797 1259 1HB GLU 69 2HB GLU 69 5.816 1.979 -12.702 1260 2HB GLU 69 1HB GLU 69 4.743 1.134 -13.809 1261 1HG GLU 69 2HG GLU 69 3.495 1.084 -11.291 1262 2HG GLU 69 1HG GLU 69 4.102 2.723 -11.526 1263 H THR 70 H THR 70 7.150 1.798 -12.641 1264 HA THR 70 HA THR 70 9.339 0.771 -13.790 1265 HB THR 70 HB THR 70 9.439 3.056 -13.355 1266 HG1 THR 70 1HG THR 70 11.377 1.575 -12.454 1267 1HG2 THR 70 1HG2 THR 70 8.996 4.170 -11.402 1268 2HG2 THR 70 2HG2 THR 70 9.424 2.791 -10.389 1269 3HG2 THR 70 3HG2 THR 70 7.900 2.795 -11.276 1270 H LYS 71 H LYS 71 10.302 1.507 -10.583 1271 HA LYS 71 HA LYS 71 11.645 -1.032 -10.347 1272 1HB LYS 71 2HB LYS 71 11.509 1.151 -8.269 1273 2HB LYS 71 1HB LYS 71 12.734 -0.099 -8.437 1274 1HG LYS 71 2HG LYS 71 12.252 2.171 -10.359 1275 2HG LYS 71 1HG LYS 71 13.562 2.066 -9.180 1276 1HD LYS 71 2HD LYS 71 13.889 -0.277 -10.481 1277 2HD LYS 71 1HD LYS 71 13.237 0.720 -11.783 1278 1HE LYS 71 2HE LYS 71 15.276 1.553 -12.075 1279 2HE LYS 71 1HE LYS 71 15.128 2.323 -10.496 1280 1HZ LYS 71 1HZ LYS 71 16.816 1.064 -9.848 1281 2HZ LYS 71 2HZ LYS 71 16.799 0.171 -11.284 1282 3HZ LYS 71 3HZ LYS 71 15.818 -0.295 -9.988 1283 H HIS 72 H HIS 72 9.163 -1.800 -10.431 1284 HA HIS 72 HA HIS 72 7.285 -2.542 -9.280 1285 1HB HIS 72 2HB HIS 72 9.752 -3.868 -8.262 1286 2HB HIS 72 1HB HIS 72 8.236 -4.218 -7.439 1287 HD1 HIS 72 1HD HIS 72 10.222 -5.171 -10.328 1288 HD2 HIS 72 2HD HIS 72 6.211 -5.320 -9.256 1289 HE1 HIS 72 1HE HIS 72 9.169 -6.828 -11.898 1290 HE2 HIS 72 2HE HIS 72 6.727 -6.847 -11.279 1291 H PHE 73 H PHE 73 9.314 -2.719 -6.431 1292 HA PHE 73 HA PHE 73 8.806 -0.427 -5.080 1293 1HB PHE 73 2HB PHE 73 6.733 -0.517 -4.037 1294 2HB PHE 73 1HB PHE 73 6.356 -1.150 -5.633 1295 HD1 PHE 73 1HD PHE 73 7.237 -3.903 -5.503 1296 HD2 PHE 73 2HD PHE 73 5.311 -1.535 -2.538 1297 HE1 PHE 73 1HE PHE 73 6.323 -5.942 -4.474 1298 HE2 PHE 73 2HE PHE 73 4.393 -3.569 -1.504 1299 HZ PHE 73 HZ PHE 73 4.899 -5.777 -2.470 1300 H ILE 74 H ILE 74 8.469 -0.925 -2.554 1301 HA ILE 74 HA ILE 74 9.649 -3.456 -1.780 1302 HB ILE 74 HB ILE 74 11.579 -1.925 -2.352 1303 1HG1 ILE 74 2HG1 ILE 74 11.155 -3.237 0.315 1304 2HG1 ILE 74 1HG1 ILE 74 12.152 -3.760 -1.033 1305 1HG2 ILE 74 1HG2 ILE 74 10.457 -0.425 0.003 1306 2HG2 ILE 74 2HG2 ILE 74 10.792 0.182 -1.618 1307 3HG2 ILE 74 3HG2 ILE 74 12.124 -0.245 -0.545 1308 1HD1 ILE 74 1HD1 ILE 74 12.797 -2.025 1.235 1309 2HD1 ILE 74 2HD1 ILE 74 13.422 -1.485 -0.324 1310 3HD1 ILE 74 3HD1 ILE 74 13.829 -3.091 0.282 1311 H TYR 75 H TYR 75 8.425 -4.088 -0.151 1312 HA TYR 75 HA TYR 75 7.415 -2.061 1.730 1313 1HB TYR 75 2HB TYR 75 5.747 -3.422 0.375 1314 2HB TYR 75 1HB TYR 75 6.266 -4.819 1.315 1315 HD1 TYR 75 1HD TYR 75 6.473 -3.970 4.000 1316 HD2 TYR 75 2HD TYR 75 3.678 -2.692 1.061 1317 HE1 TYR 75 1HE TYR 75 4.890 -3.365 5.780 1318 HE2 TYR 75 2HE TYR 75 2.086 -2.082 2.831 1319 HH TYR 75 HH TYR 75 1.727 -2.915 5.352 1320 H PHE 76 H PHE 76 9.122 -2.043 3.166 1321 HA PHE 76 HA PHE 76 9.719 -4.600 4.503 1322 1HB PHE 76 2HB PHE 76 11.775 -3.280 5.335 1323 2HB PHE 76 1HB PHE 76 11.751 -3.811 3.657 1324 HD1 PHE 76 1HD PHE 76 10.776 -2.073 1.954 1325 HD2 PHE 76 2HD PHE 76 12.305 -1.096 5.804 1326 HE1 PHE 76 1HE PHE 76 11.153 0.244 1.213 1327 HE2 PHE 76 2HE PHE 76 12.682 1.222 5.072 1328 HZ PHE 76 HZ PHE 76 12.107 1.895 2.774 1329 H TYR 77 H TYR 77 10.388 -4.320 6.844 1330 HA TYR 77 HA TYR 77 8.770 -2.255 8.169 1331 1HB TYR 77 2HB TYR 77 7.442 -4.238 8.325 1332 2HB TYR 77 1HB TYR 77 8.834 -5.210 8.787 1333 HD1 TYR 77 1HD TYR 77 6.343 -2.782 9.936 1334 HD2 TYR 77 2HD TYR 77 9.693 -5.154 11.056 1335 HE1 TYR 77 1HE TYR 77 5.824 -2.384 12.306 1336 HE2 TYR 77 2HE TYR 77 9.183 -4.764 13.430 1337 HH TYR 77 HH TYR 77 6.237 -3.222 14.448 1338 H LEU 78 H LEU 78 10.121 -1.010 9.260 1339 HA LEU 78 HA LEU 78 12.743 -1.795 10.013 1340 1HB LEU 78 2HB LEU 78 11.024 0.589 10.639 1341 2HB LEU 78 1HB LEU 78 12.607 0.394 11.362 1342 HG LEU 78 HG LEU 78 12.317 1.856 9.226 1343 1HD1 LEU 78 1HD1 LEU 78 14.598 0.430 8.496 1344 2HD1 LEU 78 2HD1 LEU 78 14.452 0.225 10.242 1345 3HD1 LEU 78 3HD1 LEU 78 14.504 1.844 9.546 1346 1HD2 LEU 78 1HD2 LEU 78 11.236 0.488 7.694 1347 2HD2 LEU 78 2HD2 LEU 78 12.195 -0.927 8.125 1348 3HD2 LEU 78 3HD2 LEU 78 12.924 0.382 7.194 1349 H GLY 79 H GLY 79 13.516 -1.430 12.335 1350 1HA GLY 79 2HA GLY 79 12.983 -3.344 14.043 1351 2HA GLY 79 1HA GLY 79 13.235 -1.717 14.651 1352 H GLN 80 H GLN 80 10.932 -0.433 13.968 1353 HA GLN 80 HA GLN 80 8.699 -2.046 14.913 1354 1HB GLN 80 2HB GLN 80 8.199 0.022 16.490 1355 2HB GLN 80 1HB GLN 80 9.193 -1.324 17.027 1356 1HG GLN 80 2HG GLN 80 11.203 -0.019 16.354 1357 2HG GLN 80 1HG GLN 80 10.140 1.346 16.020 1358 1HE2 GLN 80 1HE2 GLN 80 9.092 -0.610 18.569 1359 2HE2 GLN 80 2HE2 GLN 80 9.637 0.378 19.878 1360 H VAL 81 H VAL 81 9.242 -0.914 12.377 1361 HA VAL 81 HA VAL 81 6.830 0.653 12.042 1362 HB VAL 81 HB VAL 81 9.532 1.780 11.298 1363 1HG1 VAL 81 1HG1 VAL 81 8.393 2.522 9.488 1364 2HG1 VAL 81 2HG1 VAL 81 7.824 3.737 10.633 1365 3HG1 VAL 81 3HG1 VAL 81 6.820 2.334 10.263 1366 1HG2 VAL 81 1HG2 VAL 81 8.411 3.754 12.626 1367 2HG2 VAL 81 2HG2 VAL 81 9.231 2.441 13.471 1368 3HG2 VAL 81 3HG2 VAL 81 7.472 2.445 13.344 1369 H ALA 82 H ALA 82 6.474 1.134 9.650 1370 HA ALA 82 HA ALA 82 7.669 -0.974 7.978 1371 1HB ALA 82 1HB ALA 82 5.147 -0.695 6.941 1372 2HB ALA 82 2HB ALA 82 4.862 -0.567 8.678 1373 3HB ALA 82 3HB ALA 82 5.674 -1.988 8.019 1374 H ILE 83 H ILE 83 7.589 -0.533 5.668 1375 HA ILE 83 HA ILE 83 7.069 2.237 4.917 1376 HB ILE 83 HB ILE 83 9.596 1.284 3.797 1377 1HG1 ILE 83 2HG1 ILE 83 9.687 0.412 6.176 1378 2HG1 ILE 83 1HG1 ILE 83 10.966 1.538 5.735 1379 1HG2 ILE 83 1HG2 ILE 83 10.212 3.654 4.631 1380 2HG2 ILE 83 2HG2 ILE 83 8.484 3.810 4.946 1381 3HG2 ILE 83 3HG2 ILE 83 9.057 3.480 3.310 1382 1HD1 ILE 83 1HD1 ILE 83 10.380 2.953 7.337 1383 2HD1 ILE 83 2HD1 ILE 83 9.330 1.677 7.953 1384 3HD1 ILE 83 3HD1 ILE 83 8.681 2.902 6.864 1385 H LEU 84 H LEU 84 5.846 2.168 3.181 1386 HA LEU 84 HA LEU 84 6.166 -0.043 1.270 1387 1HB LEU 84 2HB LEU 84 3.960 -0.177 1.800 1388 2HB LEU 84 1HB LEU 84 3.856 1.508 2.263 1389 HG LEU 84 HG LEU 84 4.152 1.734 -0.434 1390 1HD1 LEU 84 1HD1 LEU 84 3.443 -0.986 0.048 1391 2HD1 LEU 84 2HD1 LEU 84 3.687 -0.157 -1.490 1392 3HD1 LEU 84 3HD1 LEU 84 2.093 -0.167 -0.736 1393 1HD2 LEU 84 1HD2 LEU 84 2.289 2.375 1.461 1394 2HD2 LEU 84 2HD2 LEU 84 1.374 1.323 0.380 1395 3HD2 LEU 84 3HD2 LEU 84 2.170 2.762 -0.256 1396 H LEU 85 H LEU 85 7.823 0.785 0.027 1397 HA LEU 85 HA LEU 85 7.485 3.427 -1.191 1398 1HB LEU 85 2HB LEU 85 9.714 1.854 -0.379 1399 2HB LEU 85 1HB LEU 85 9.831 2.100 -2.111 1400 HG LEU 85 HG LEU 85 9.373 4.615 -1.466 1401 1HD1 LEU 85 1HD1 LEU 85 11.002 4.307 0.870 1402 2HD1 LEU 85 2HD1 LEU 85 9.490 3.421 1.062 1403 3HD1 LEU 85 3HD1 LEU 85 9.460 5.143 0.681 1404 1HD2 LEU 85 1HD2 LEU 85 11.532 4.940 -1.998 1405 2HD2 LEU 85 2HD2 LEU 85 11.541 3.196 -2.260 1406 3HD2 LEU 85 3HD2 LEU 85 12.113 3.860 -0.730 1407 H PHE 86 H PHE 86 7.325 3.783 -3.367 1408 HA PHE 86 HA PHE 86 7.712 1.912 -5.396 1409 1HB PHE 86 2HB PHE 86 5.691 0.896 -5.812 1410 2HB PHE 86 1HB PHE 86 5.651 0.973 -4.055 1411 HD1 PHE 86 1HD PHE 86 3.919 1.703 -7.027 1412 HD2 PHE 86 2HD PHE 86 4.489 3.073 -3.039 1413 HE1 PHE 86 1HE PHE 86 1.788 2.927 -7.150 1414 HE2 PHE 86 2HE PHE 86 2.357 4.299 -3.154 1415 HZ PHE 86 HZ PHE 86 1.004 4.226 -5.210 1416 H LYS 87 H LYS 87 7.648 2.865 -7.357 1417 HA LYS 87 HA LYS 87 6.647 5.630 -7.478 1418 1HB LYS 87 2HB LYS 87 8.511 4.312 -9.444 1419 2HB LYS 87 1HB LYS 87 8.216 6.030 -9.216 1420 1HG LYS 87 2HG LYS 87 9.515 6.141 -7.321 1421 2HG LYS 87 1HG LYS 87 9.345 4.419 -6.977 1422 1HD LYS 87 2HD LYS 87 11.575 4.775 -7.733 1423 2HD LYS 87 1HD LYS 87 10.702 3.969 -9.037 1424 1HE LYS 87 2HE LYS 87 10.449 6.821 -9.284 1425 2HE LYS 87 1HE LYS 87 12.150 6.370 -9.163 1426 1HZ LYS 87 1HZ LYS 87 11.567 4.636 -10.925 1427 2HZ LYS 87 2HZ LYS 87 11.691 6.247 -11.419 1428 3HZ LYS 87 3HZ LYS 87 10.168 5.550 -11.190 1429 H SER 88 H SER 88 5.740 6.332 -9.582 1430 HA SER 88 HA SER 88 4.212 4.161 -10.857 1431 1HB SER 88 2HB SER 88 3.354 6.719 -9.712 1432 2HB SER 88 1HB SER 88 2.727 6.414 -11.331 1433 HG SER 88 HG SER 88 2.578 4.509 -9.242 1434 H GLY 89 H GLY 89 6.786 5.542 -11.503 1435 1HA GLY 89 2HA GLY 89 7.755 5.664 -13.664 1436 2HA GLY 89 1HA GLY 89 6.164 6.012 -14.325 Start of MODEL 20 1 1H MET 1 1HT MET 1 -22.598 8.835 -1.042 2 2H MET 1 2HT MET 1 -24.175 9.380 -0.639 3 3H MET 1 3HT MET 1 -23.894 7.716 -0.952 4 HA MET 1 HA MET 1 -22.227 7.923 0.958 5 1HB MET 1 2HB MET 1 -22.601 9.652 2.476 6 2HB MET 1 1HB MET 1 -22.749 10.463 0.924 7 1HG MET 1 2HG MET 1 -25.142 9.393 2.373 8 2HG MET 1 1HG MET 1 -24.477 10.987 2.725 9 1HE MET 1 1HE MET 1 -27.655 11.790 1.031 10 2HE MET 1 2HE MET 1 -26.395 13.002 1.258 11 3HE MET 1 3HE MET 1 -26.647 11.751 2.476 12 H CYS 2 H CYS 2 -22.959 6.987 2.973 13 HA CYS 2 HA CYS 2 -25.530 6.513 3.790 14 1HB CYS 2 2HB CYS 2 -25.897 5.472 1.582 15 2HB CYS 2 1HB CYS 2 -24.612 4.319 1.920 16 HG CYS 2 HG CYS 2 -27.457 4.028 2.777 17 H ASP 3 H ASP 3 -22.248 5.776 3.673 18 HA ASP 3 HA ASP 3 -22.470 4.255 6.179 19 1HB ASP 3 2HB ASP 3 -21.889 2.803 4.177 20 2HB ASP 3 1HB ASP 3 -20.370 3.689 4.085 21 H ARG 4 H ARG 4 -19.615 5.212 4.330 22 HA ARG 4 HA ARG 4 -17.927 6.680 4.761 23 1HB ARG 4 2HB ARG 4 -19.422 7.959 7.006 24 2HB ARG 4 1HB ARG 4 -18.388 8.695 5.789 25 1HG ARG 4 2HG ARG 4 -20.718 7.498 4.583 26 2HG ARG 4 1HG ARG 4 -21.167 8.657 5.836 27 1HD ARG 4 2HD ARG 4 -19.840 9.085 3.232 28 2HD ARG 4 1HD ARG 4 -20.966 10.116 4.114 29 HE ARG 4 HE ARG 4 -18.084 10.134 4.282 30 1HH1 ARG 4 1HH1 ARG 4 -21.081 11.034 5.813 31 2HH1 ARG 4 2HH1 ARG 4 -20.371 12.306 6.751 32 1HH2 ARG 4 1HH2 ARG 4 -17.139 11.809 5.510 33 2HH2 ARG 4 2HH2 ARG 4 -18.129 12.747 6.577 34 H LYS 5 H LYS 5 -18.813 7.200 8.041 35 HA LYS 5 HA LYS 5 -17.885 6.568 10.019 36 1HB LYS 5 2HB LYS 5 -17.984 4.078 8.437 37 2HB LYS 5 1HB LYS 5 -16.861 4.062 9.791 38 1HG LYS 5 2HG LYS 5 -19.761 4.825 10.036 39 2HG LYS 5 1HG LYS 5 -19.143 3.193 10.301 40 1HD LYS 5 2HD LYS 5 -17.820 5.415 11.758 41 2HD LYS 5 1HD LYS 5 -19.438 4.946 12.283 42 1HE LYS 5 2HE LYS 5 -18.197 2.526 11.987 43 2HE LYS 5 1HE LYS 5 -16.884 3.548 12.569 44 1HZ LYS 5 1HZ LYS 5 -18.201 2.430 14.340 45 2HZ LYS 5 2HZ LYS 5 -19.531 3.374 13.895 46 3HZ LYS 5 3HZ LYS 5 -18.132 4.114 14.490 47 H ALA 6 H ALA 6 -16.277 7.877 7.969 48 HA ALA 6 HA ALA 6 -13.612 7.013 8.873 49 1HB ALA 6 1HB ALA 6 -13.828 8.410 6.274 50 2HB ALA 6 2HB ALA 6 -14.387 6.739 6.337 51 3HB ALA 6 3HB ALA 6 -12.727 7.133 6.788 52 H VAL 7 H VAL 7 -12.146 9.064 7.784 53 HA VAL 7 HA VAL 7 -13.253 11.607 8.598 54 HB VAL 7 HB VAL 7 -10.942 10.383 10.115 55 1HG1 VAL 7 1HG1 VAL 7 -10.182 12.502 10.145 56 2HG1 VAL 7 2HG1 VAL 7 -11.441 12.734 11.358 57 3HG1 VAL 7 3HG1 VAL 7 -11.744 13.178 9.679 58 1HG2 VAL 7 1HG2 VAL 7 -13.767 11.076 10.825 59 2HG2 VAL 7 2HG2 VAL 7 -12.510 11.045 12.062 60 3HG2 VAL 7 3HG2 VAL 7 -12.871 9.589 11.134 61 H ILE 8 H ILE 8 -12.775 11.701 6.242 62 HA ILE 8 HA ILE 8 -10.402 11.476 4.977 63 HB ILE 8 HB ILE 8 -12.710 13.287 4.621 64 1HG1 ILE 8 2HG1 ILE 8 -12.058 12.397 2.174 65 2HG1 ILE 8 1HG1 ILE 8 -11.236 11.180 3.145 66 1HG2 ILE 8 1HG2 ILE 8 -10.752 14.834 4.399 67 2HG2 ILE 8 2HG2 ILE 8 -11.744 14.681 2.950 68 3HG2 ILE 8 3HG2 ILE 8 -10.199 13.838 3.053 69 1HD1 ILE 8 1HD1 ILE 8 -13.228 10.146 2.989 70 2HD1 ILE 8 2HD1 ILE 8 -14.113 11.649 2.726 71 3HD1 ILE 8 3HD1 ILE 8 -13.628 11.184 4.357 72 H LYS 9 H LYS 9 -8.746 12.998 4.375 73 HA LYS 9 HA LYS 9 -8.266 15.298 6.047 74 1HB LYS 9 2HB LYS 9 -6.056 13.300 6.124 75 2HB LYS 9 1HB LYS 9 -6.476 14.552 7.285 76 1HG LYS 9 2HG LYS 9 -8.548 12.552 7.120 77 2HG LYS 9 1HG LYS 9 -6.982 11.829 7.492 78 1HD LYS 9 2HD LYS 9 -6.760 13.692 9.245 79 2HD LYS 9 1HD LYS 9 -8.494 13.928 9.016 80 1HE LYS 9 2HE LYS 9 -8.940 11.654 9.673 81 2HE LYS 9 1HE LYS 9 -7.215 11.297 9.749 82 1HZ LYS 9 1HZ LYS 9 -8.872 12.859 11.603 83 2HZ LYS 9 2HZ LYS 9 -7.230 13.239 11.459 84 3HZ LYS 9 3HZ LYS 9 -7.699 11.686 11.937 85 H ASN 10 H ASN 10 -7.853 13.420 3.302 86 HA ASN 10 HA ASN 10 -6.588 15.512 1.851 87 1HB ASN 10 2HB ASN 10 -4.827 13.789 3.198 88 2HB ASN 10 1HB ASN 10 -4.803 13.264 1.517 89 1HD2 ASN 10 1HD2 ASN 10 -4.997 15.460 0.072 90 2HD2 ASN 10 2HD2 ASN 10 -3.708 16.563 0.399 91 H ALA 11 H ALA 11 -8.444 15.150 0.566 92 HA ALA 11 HA ALA 11 -8.286 12.706 -1.073 93 1HB ALA 11 1HB ALA 11 -10.509 12.324 -0.925 94 2HB ALA 11 2HB ALA 11 -10.910 14.037 -0.817 95 3HB ALA 11 3HB ALA 11 -10.312 13.181 0.603 96 H ASP 12 H ASP 12 -7.189 13.554 -2.790 97 HA ASP 12 HA ASP 12 -8.059 16.020 -4.035 98 1HB ASP 12 2HB ASP 12 -5.790 14.118 -4.414 99 2HB ASP 12 1HB ASP 12 -6.259 15.127 -5.779 100 H MET 13 H MET 13 -10.006 13.962 -3.917 101 HA MET 13 HA MET 13 -10.359 13.397 -6.785 102 1HB MET 13 2HB MET 13 -9.973 11.278 -5.829 103 2HB MET 13 1HB MET 13 -10.918 11.658 -4.396 104 1HG MET 13 2HG MET 13 -12.905 11.216 -5.413 105 2HG MET 13 1HG MET 13 -12.310 11.644 -7.016 106 1HE MET 13 1HE MET 13 -12.175 9.248 -4.116 107 2HE MET 13 2HE MET 13 -10.507 8.864 -4.540 108 3HE MET 13 3HE MET 13 -11.781 7.674 -4.807 109 H SER 14 H SER 14 -12.668 13.090 -7.403 110 HA SER 14 HA SER 14 -14.204 15.316 -6.757 111 1HB SER 14 2HB SER 14 -15.944 14.348 -8.066 112 2HB SER 14 1HB SER 14 -14.433 13.797 -8.789 113 HG SER 14 HG SER 14 -15.799 12.267 -6.846 114 H GLU 15 H GLU 15 -15.385 15.825 -5.047 115 HA GLU 15 HA GLU 15 -15.563 14.723 -2.663 116 1HB GLU 15 2HB GLU 15 -18.155 15.663 -3.852 117 2HB GLU 15 1HB GLU 15 -17.538 15.905 -2.223 118 1HG GLU 15 2HG GLU 15 -16.041 17.565 -2.914 119 2HG GLU 15 1HG GLU 15 -16.200 17.121 -4.613 120 H GLU 16 H GLU 16 -18.264 14.040 -4.888 121 HA GLU 16 HA GLU 16 -19.463 12.012 -3.534 122 1HB GLU 16 2HB GLU 16 -20.500 12.802 -5.509 123 2HB GLU 16 1HB GLU 16 -19.104 12.396 -6.498 124 1HG GLU 16 2HG GLU 16 -20.672 10.761 -7.015 125 2HG GLU 16 1HG GLU 16 -19.584 9.971 -5.873 126 H MET 17 H MET 17 -16.646 11.724 -5.660 127 HA MET 17 HA MET 17 -16.465 8.907 -5.559 128 1HB MET 17 2HB MET 17 -14.622 11.122 -6.332 129 2HB MET 17 1HB MET 17 -13.943 9.520 -6.082 130 1HG MET 17 2HG MET 17 -16.269 9.269 -7.695 131 2HG MET 17 1HG MET 17 -15.250 10.542 -8.364 132 1HE MET 17 1HE MET 17 -14.010 6.146 -7.767 133 2HE MET 17 2HE MET 17 -15.554 6.855 -7.299 134 3HE MET 17 3HE MET 17 -14.094 7.244 -6.390 135 H GLN 18 H GLN 18 -15.338 11.436 -3.426 136 HA GLN 18 HA GLN 18 -13.516 9.817 -1.949 137 1HB GLN 18 2HB GLN 18 -14.655 12.026 -0.439 138 2HB GLN 18 1HB GLN 18 -12.989 11.737 -0.919 139 1HG GLN 18 2HG GLN 18 -14.303 12.474 -3.260 140 2HG GLN 18 1HG GLN 18 -14.930 13.551 -2.014 141 1HE2 GLN 18 1HE2 GLN 18 -11.799 12.135 -2.914 142 2HE2 GLN 18 2HE2 GLN 18 -10.904 13.608 -2.792 143 H GLN 19 H GLN 19 -16.933 10.562 -1.669 144 HA GLN 19 HA GLN 19 -17.237 9.383 0.920 145 1HB GLN 19 2HB GLN 19 -19.007 10.583 -1.129 146 2HB GLN 19 1HB GLN 19 -19.749 9.391 -0.070 147 1HG GLN 19 2HG GLN 19 -20.058 11.027 1.385 148 2HG GLN 19 1HG GLN 19 -18.314 11.024 1.645 149 1HE2 GLN 19 1HE2 GLN 19 -19.096 11.871 -1.499 150 2HE2 GLN 19 2HE2 GLN 19 -18.978 13.588 -1.343 151 H ASP 20 H ASP 20 -17.736 8.381 -2.415 152 HA ASP 20 HA ASP 20 -18.834 5.840 -1.761 153 1HB ASP 20 2HB ASP 20 -18.313 7.348 -4.137 154 2HB ASP 20 1HB ASP 20 -17.608 5.745 -4.328 155 H SER 21 H SER 21 -15.669 7.166 -2.056 156 HA SER 21 HA SER 21 -14.251 4.718 -2.382 157 1HB SER 21 2HB SER 21 -13.277 6.903 -2.999 158 2HB SER 21 1HB SER 21 -13.281 7.377 -1.301 159 HG SER 21 HG SER 21 -11.446 6.394 -1.133 160 H VAL 22 H VAL 22 -15.085 6.764 0.378 161 HA VAL 22 HA VAL 22 -13.721 5.304 2.351 162 HB VAL 22 HB VAL 22 -16.303 6.828 2.711 163 1HG1 VAL 22 1HG1 VAL 22 -14.100 6.198 4.671 164 2HG1 VAL 22 2HG1 VAL 22 -15.663 5.385 4.595 165 3HG1 VAL 22 3HG1 VAL 22 -15.579 7.097 5.010 166 1HG2 VAL 22 1HG2 VAL 22 -13.572 7.733 2.152 167 2HG2 VAL 22 2HG2 VAL 22 -14.320 8.498 3.555 168 3HG2 VAL 22 3HG2 VAL 22 -15.108 8.584 1.979 169 H GLU 23 H GLU 23 -17.052 5.079 1.146 170 HA GLU 23 HA GLU 23 -17.950 3.067 2.861 171 1HB GLU 23 2HB GLU 23 -18.754 3.523 -0.018 172 2HB GLU 23 1HB GLU 23 -19.675 2.625 1.182 173 1HG GLU 23 2HG GLU 23 -19.702 4.791 2.529 174 2HG GLU 23 1HG GLU 23 -19.161 5.573 1.044 175 H CYS 24 H CYS 24 -16.290 2.861 -0.257 176 HA CYS 24 HA CYS 24 -16.386 0.046 -0.484 177 1HB CYS 24 2HB CYS 24 -14.776 2.223 -1.741 178 2HB CYS 24 1HB CYS 24 -14.203 0.568 -1.909 179 HG CYS 24 HG CYS 24 -15.871 0.215 -3.654 180 H ALA 25 H ALA 25 -14.155 2.258 1.096 181 HA ALA 25 HA ALA 25 -12.180 0.293 1.728 182 1HB ALA 25 1HB ALA 25 -11.871 2.831 1.704 183 2HB ALA 25 2HB ALA 25 -11.160 1.959 3.061 184 3HB ALA 25 3HB ALA 25 -12.677 2.832 3.273 185 H THR 26 H THR 26 -15.085 1.533 3.111 186 HA THR 26 HA THR 26 -14.887 0.334 5.672 187 HB THR 26 HB THR 26 -17.378 1.121 4.150 188 HG1 THR 26 1HG THR 26 -16.641 2.963 5.903 189 1HG2 THR 26 1HG2 THR 26 -17.560 1.780 6.861 190 2HG2 THR 26 2HG2 THR 26 -16.979 0.115 6.781 191 3HG2 THR 26 3HG2 THR 26 -18.479 0.568 5.968 192 H GLN 27 H GLN 27 -16.227 -0.612 2.563 193 HA GLN 27 HA GLN 27 -17.585 -2.932 3.360 194 1HB GLN 27 2HB GLN 27 -16.228 -2.304 0.731 195 2HB GLN 27 1HB GLN 27 -17.352 -3.630 0.988 196 1HG GLN 27 2HG GLN 27 -18.107 -0.774 1.505 197 2HG GLN 27 1HG GLN 27 -18.264 -1.521 -0.085 198 1HE2 GLN 27 1HE2 GLN 27 -19.235 -3.918 0.299 199 2HE2 GLN 27 2HE2 GLN 27 -20.743 -3.890 1.141 200 H ALA 28 H ALA 28 -14.233 -2.362 2.426 201 HA ALA 28 HA ALA 28 -13.436 -5.095 2.503 202 1HB ALA 28 1HB ALA 28 -11.113 -3.877 2.880 203 2HB ALA 28 2HB ALA 28 -12.044 -2.466 2.377 204 3HB ALA 28 3HB ALA 28 -11.917 -3.865 1.310 205 H LEU 29 H LEU 29 -13.659 -2.489 4.821 206 HA LEU 29 HA LEU 29 -12.166 -3.704 6.885 207 1HB LEU 29 2HB LEU 29 -14.228 -1.526 6.847 208 2HB LEU 29 1HB LEU 29 -13.517 -2.091 8.348 209 HG LEU 29 HG LEU 29 -11.494 -1.454 6.362 210 1HD1 LEU 29 1HD1 LEU 29 -13.227 0.148 5.658 211 2HD1 LEU 29 2HD1 LEU 29 -11.801 0.933 6.336 212 3HD1 LEU 29 3HD1 LEU 29 -13.270 0.788 7.300 213 1HD2 LEU 29 1HD2 LEU 29 -10.413 -1.251 8.288 214 2HD2 LEU 29 2HD2 LEU 29 -11.926 -1.363 9.187 215 3HD2 LEU 29 3HD2 LEU 29 -11.347 0.206 8.629 216 H GLU 30 H GLU 30 -15.628 -3.560 6.182 217 HA GLU 30 HA GLU 30 -16.441 -5.070 8.441 218 1HB GLU 30 2HB GLU 30 -17.695 -3.653 6.362 219 2HB GLU 30 1HB GLU 30 -18.270 -5.308 6.220 220 1HG GLU 30 2HG GLU 30 -18.368 -4.664 8.952 221 2HG GLU 30 1HG GLU 30 -19.031 -3.282 8.081 222 H LYS 31 H LYS 31 -15.257 -5.906 5.290 223 HA LYS 31 HA LYS 31 -16.130 -8.670 5.512 224 1HB LYS 31 2HB LYS 31 -14.805 -7.023 3.400 225 2HB LYS 31 1HB LYS 31 -14.631 -8.772 3.341 226 1HG LYS 31 2HG LYS 31 -16.638 -8.981 2.439 227 2HG LYS 31 1HG LYS 31 -17.374 -8.113 3.787 228 1HD LYS 31 2HD LYS 31 -16.969 -5.998 2.711 229 2HD LYS 31 1HD LYS 31 -16.060 -6.785 1.419 230 1HE LYS 31 2HE LYS 31 -18.257 -6.279 0.603 231 2HE LYS 31 1HE LYS 31 -18.123 -8.026 0.803 232 1HZ LYS 31 1HZ LYS 31 -19.120 -7.433 3.149 233 2HZ LYS 31 2HZ LYS 31 -20.116 -7.668 1.801 234 3HZ LYS 31 3HZ LYS 31 -19.732 -6.101 2.305 235 H TYR 32 H TYR 32 -13.329 -6.736 6.105 236 HA TYR 32 HA TYR 32 -12.004 -8.935 7.393 237 1HB TYR 32 2HB TYR 32 -10.043 -7.818 5.594 238 2HB TYR 32 1HB TYR 32 -10.490 -9.501 5.844 239 HD1 TYR 32 1HD TYR 32 -11.978 -10.627 4.333 240 HD2 TYR 32 2HD TYR 32 -11.157 -6.480 3.850 241 HE1 TYR 32 1HE TYR 32 -12.996 -10.691 2.095 242 HE2 TYR 32 2HE TYR 32 -12.173 -6.532 1.611 243 HH TYR 32 HH TYR 32 -12.888 -7.912 -0.055 244 H ASN 33 H ASN 33 -10.568 -8.246 8.929 245 HA ASN 33 HA ASN 33 -10.360 -5.336 9.245 246 1HB ASN 33 2HB ASN 33 -11.288 -7.109 11.032 247 2HB ASN 33 1HB ASN 33 -9.580 -7.156 11.459 248 1HD2 ASN 33 1HD2 ASN 33 -12.129 -4.801 10.725 249 2HD2 ASN 33 2HD2 ASN 33 -11.674 -3.672 11.950 250 H ILE 34 H ILE 34 -8.654 -6.899 7.472 251 HA ILE 34 HA ILE 34 -6.052 -6.549 8.807 252 HB ILE 34 HB ILE 34 -6.375 -8.099 6.270 253 1HG1 ILE 34 2HG1 ILE 34 -8.011 -9.130 7.682 254 2HG1 ILE 34 1HG1 ILE 34 -6.584 -10.161 7.685 255 1HG2 ILE 34 1HG2 ILE 34 -4.441 -9.345 7.293 256 2HG2 ILE 34 2HG2 ILE 34 -4.420 -8.109 8.551 257 3HG2 ILE 34 3HG2 ILE 34 -4.129 -7.661 6.869 258 1HD1 ILE 34 1HD1 ILE 34 -7.936 -8.935 9.876 259 2HD1 ILE 34 2HD1 ILE 34 -6.264 -8.376 9.817 260 3HD1 ILE 34 3HD1 ILE 34 -6.615 -10.103 9.888 261 H GLU 35 H GLU 35 -5.365 -4.549 8.336 262 HA GLU 35 HA GLU 35 -5.882 -2.713 6.565 263 1HB GLU 35 2HB GLU 35 -3.109 -3.692 7.228 264 2HB GLU 35 1HB GLU 35 -3.403 -2.214 6.322 265 1HG GLU 35 2HG GLU 35 -3.007 -1.760 8.680 266 2HG GLU 35 1HG GLU 35 -4.634 -1.284 8.193 267 H LYS 36 H LYS 36 -3.151 -4.709 5.501 268 HA LYS 36 HA LYS 36 -3.201 -4.194 2.853 269 1HB LYS 36 2HB LYS 36 -2.862 -7.068 3.443 270 2HB LYS 36 1HB LYS 36 -1.791 -5.955 2.604 271 1HG LYS 36 2HG LYS 36 -0.888 -5.142 4.624 272 2HG LYS 36 1HG LYS 36 -2.164 -5.893 5.583 273 1HD LYS 36 2HD LYS 36 -0.392 -7.604 3.894 274 2HD LYS 36 1HD LYS 36 0.206 -6.993 5.437 275 1HE LYS 36 2HE LYS 36 -1.418 -8.139 6.658 276 2HE LYS 36 1HE LYS 36 -2.450 -8.367 5.246 277 1HZ LYS 36 1HZ LYS 36 -1.555 -10.416 5.307 278 2HZ LYS 36 2HZ LYS 36 -0.171 -9.926 6.147 279 3HZ LYS 36 3HZ LYS 36 -0.275 -9.682 4.477 280 H ASP 37 H ASP 37 -5.150 -6.702 4.453 281 HA ASP 37 HA ASP 37 -6.433 -7.710 2.195 282 1HB ASP 37 2HB ASP 37 -6.581 -8.117 4.953 283 2HB ASP 37 1HB ASP 37 -8.203 -7.607 4.499 284 H ILE 38 H ILE 38 -7.605 -5.208 4.454 285 HA ILE 38 HA ILE 38 -9.973 -4.554 3.215 286 HB ILE 38 HB ILE 38 -8.159 -2.459 4.393 287 1HG1 ILE 38 2HG1 ILE 38 -10.054 -3.820 6.196 288 2HG1 ILE 38 1HG1 ILE 38 -8.696 -4.810 5.674 289 1HG2 ILE 38 1HG2 ILE 38 -10.116 -1.285 4.909 290 2HG2 ILE 38 2HG2 ILE 38 -11.135 -2.706 4.679 291 3HG2 ILE 38 3HG2 ILE 38 -10.398 -1.915 3.285 292 1HD1 ILE 38 1HD1 ILE 38 -8.042 -3.807 7.692 293 2HD1 ILE 38 2HD1 ILE 38 -8.632 -2.223 7.189 294 3HD1 ILE 38 3HD1 ILE 38 -7.202 -2.916 6.423 295 H ALA 39 H ALA 39 -6.756 -3.181 2.586 296 HA ALA 39 HA ALA 39 -7.470 -1.340 0.632 297 1HB ALA 39 1HB ALA 39 -5.263 -1.359 1.614 298 2HB ALA 39 2HB ALA 39 -5.132 -1.505 -0.138 299 3HB ALA 39 3HB ALA 39 -4.918 -2.927 0.884 300 H ALA 40 H ALA 40 -6.095 -4.588 0.037 301 HA ALA 40 HA ALA 40 -6.310 -4.794 -2.645 302 1HB ALA 40 1HB ALA 40 -5.581 -6.802 -1.990 303 2HB ALA 40 2HB ALA 40 -7.281 -7.253 -1.860 304 3HB ALA 40 3HB ALA 40 -6.408 -6.685 -0.437 305 H HIS 41 H HIS 41 -8.940 -5.746 -0.447 306 HA HIS 41 HA HIS 41 -10.927 -6.223 -2.290 307 1HB HIS 41 2HB HIS 41 -11.592 -6.793 -0.166 308 2HB HIS 41 1HB HIS 41 -10.866 -5.370 0.562 309 HD1 HIS 41 1HD HIS 41 -13.986 -6.756 0.391 310 HD2 HIS 41 2HD HIS 41 -12.599 -2.975 -0.628 311 HE1 HIS 41 1HE HIS 41 -16.008 -5.264 0.437 312 HE2 HIS 41 2HE HIS 41 -15.125 -2.962 -0.077 313 H ILE 42 H ILE 42 -10.191 -3.147 -0.678 314 HA ILE 42 HA ILE 42 -12.113 -1.549 -1.863 315 HB ILE 42 HB ILE 42 -9.302 -0.797 -1.056 316 1HG1 ILE 42 2HG1 ILE 42 -11.650 -0.029 0.572 317 2HG1 ILE 42 1HG1 ILE 42 -11.267 -1.748 0.548 318 1HG2 ILE 42 1HG2 ILE 42 -10.606 0.760 -2.651 319 2HG2 ILE 42 2HG2 ILE 42 -9.864 1.448 -1.206 320 3HG2 ILE 42 3HG2 ILE 42 -11.596 1.117 -1.234 321 1HD1 ILE 42 1HD1 ILE 42 -10.023 -1.098 2.328 322 2HD1 ILE 42 2HD1 ILE 42 -9.747 0.522 1.688 323 3HD1 ILE 42 3HD1 ILE 42 -8.839 -0.846 1.045 324 H LYS 43 H LYS 43 -8.689 -1.652 -2.869 325 HA LYS 43 HA LYS 43 -8.873 -0.237 -5.198 326 1HB LYS 43 2HB LYS 43 -6.746 -1.015 -4.289 327 2HB LYS 43 1HB LYS 43 -7.164 -2.677 -4.685 328 1HG LYS 43 2HG LYS 43 -6.755 -2.401 -6.910 329 2HG LYS 43 1HG LYS 43 -7.153 -0.681 -6.883 330 1HD LYS 43 2HD LYS 43 -5.065 -0.093 -6.010 331 2HD LYS 43 1HD LYS 43 -4.726 -1.740 -5.472 332 1HE LYS 43 2HE LYS 43 -5.083 -1.132 -8.381 333 2HE LYS 43 1HE LYS 43 -3.540 -0.822 -7.588 334 1HZ LYS 43 1HZ LYS 43 -3.533 -2.998 -8.577 335 2HZ LYS 43 2HZ LYS 43 -4.942 -3.435 -7.751 336 3HZ LYS 43 3HZ LYS 43 -3.510 -3.161 -6.892 337 H LYS 44 H LYS 44 -8.753 -3.799 -5.227 338 HA LYS 44 HA LYS 44 -9.395 -4.412 -7.726 339 1HB LYS 44 2HB LYS 44 -10.116 -5.630 -5.142 340 2HB LYS 44 1HB LYS 44 -11.103 -6.143 -6.504 341 1HG LYS 44 2HG LYS 44 -8.118 -6.374 -6.223 342 2HG LYS 44 1HG LYS 44 -9.301 -7.682 -6.270 343 1HD LYS 44 2HD LYS 44 -9.769 -7.304 -8.558 344 2HD LYS 44 1HD LYS 44 -8.927 -5.754 -8.548 345 1HE LYS 44 2HE LYS 44 -6.816 -6.783 -8.419 346 2HE LYS 44 1HE LYS 44 -7.510 -8.338 -7.967 347 1HZ LYS 44 1HZ LYS 44 -8.317 -7.236 -10.543 348 2HZ LYS 44 2HZ LYS 44 -8.006 -8.839 -10.100 349 3HZ LYS 44 3HZ LYS 44 -6.721 -7.787 -10.421 350 H GLU 45 H GLU 45 -11.957 -3.806 -5.334 351 HA GLU 45 HA GLU 45 -14.048 -3.736 -7.231 352 1HB GLU 45 2HB GLU 45 -14.766 -4.145 -5.051 353 2HB GLU 45 1HB GLU 45 -13.770 -2.866 -4.375 354 1HG GLU 45 2HG GLU 45 -15.934 -2.050 -4.190 355 2HG GLU 45 1HG GLU 45 -15.309 -1.256 -5.634 356 H PHE 46 H PHE 46 -11.843 -1.311 -6.030 357 HA PHE 46 HA PHE 46 -13.323 0.907 -7.107 358 1HB PHE 46 2HB PHE 46 -11.129 0.567 -5.335 359 2HB PHE 46 1HB PHE 46 -10.589 1.596 -6.659 360 HD1 PHE 46 1HD PHE 46 -12.933 1.265 -3.871 361 HD2 PHE 46 2HD PHE 46 -11.510 3.792 -6.984 362 HE1 PHE 46 1HE PHE 46 -14.074 3.178 -2.832 363 HE2 PHE 46 2HE PHE 46 -12.649 5.712 -5.951 364 HZ PHE 46 HZ PHE 46 -13.934 5.407 -3.870 365 H ASP 47 H ASP 47 -11.446 -1.467 -8.486 366 HA ASP 47 HA ASP 47 -10.497 0.278 -10.649 367 1HB ASP 47 2HB ASP 47 -9.871 -2.658 -10.350 368 2HB ASP 47 1HB ASP 47 -8.989 -1.442 -11.269 369 H LYS 48 H LYS 48 -12.705 -2.277 -9.867 370 HA LYS 48 HA LYS 48 -13.453 -2.652 -12.657 371 1HB LYS 48 2HB LYS 48 -13.412 -4.732 -11.653 372 2HB LYS 48 1HB LYS 48 -13.961 -4.112 -10.103 373 1HG LYS 48 2HG LYS 48 -15.984 -4.862 -10.574 374 2HG LYS 48 1HG LYS 48 -16.077 -3.695 -11.893 375 1HD LYS 48 2HD LYS 48 -14.623 -6.250 -12.364 376 2HD LYS 48 1HD LYS 48 -16.387 -6.288 -12.312 377 1HE LYS 48 2HE LYS 48 -15.324 -4.100 -13.921 378 2HE LYS 48 1HE LYS 48 -14.851 -5.692 -14.513 379 1HZ LYS 48 1HZ LYS 48 -17.356 -4.396 -14.709 380 2HZ LYS 48 2HZ LYS 48 -17.539 -5.858 -13.880 381 3HZ LYS 48 3HZ LYS 48 -16.848 -5.844 -15.424 382 H LYS 49 H LYS 49 -14.491 -1.002 -9.813 383 HA LYS 49 HA LYS 49 -17.191 -0.602 -10.808 384 1HB LYS 49 2HB LYS 49 -16.079 -0.688 -8.270 385 2HB LYS 49 1HB LYS 49 -16.419 1.019 -8.514 386 1HG LYS 49 2HG LYS 49 -18.488 -1.079 -9.060 387 2HG LYS 49 1HG LYS 49 -18.230 -0.430 -7.439 388 1HD LYS 49 2HD LYS 49 -18.566 1.482 -9.697 389 2HD LYS 49 1HD LYS 49 -19.993 0.640 -9.091 390 1HE LYS 49 2HE LYS 49 -18.140 2.482 -7.603 391 2HE LYS 49 1HE LYS 49 -19.871 2.667 -7.886 392 1HZ LYS 49 1HZ LYS 49 -19.852 1.917 -5.744 393 2HZ LYS 49 2HZ LYS 49 -18.478 0.952 -5.956 394 3HZ LYS 49 3HZ LYS 49 -19.971 0.440 -6.561 395 H TYR 50 H TYR 50 -14.151 0.935 -10.999 396 HA TYR 50 HA TYR 50 -15.428 3.259 -12.251 397 1HB TYR 50 2HB TYR 50 -13.010 3.602 -10.492 398 2HB TYR 50 1HB TYR 50 -14.097 4.838 -11.114 399 HD1 TYR 50 1HD TYR 50 -13.813 2.063 -8.680 400 HD2 TYR 50 2HD TYR 50 -16.037 5.475 -9.911 401 HE1 TYR 50 1HE TYR 50 -15.100 1.971 -6.587 402 HE2 TYR 50 2HE TYR 50 -17.331 5.392 -7.822 403 HH TYR 50 HH TYR 50 -17.507 4.444 -5.800 404 H ASN 51 H ASN 51 -12.133 2.086 -11.534 405 HA ASN 51 HA ASN 51 -11.258 1.120 -13.861 406 1HB ASN 51 2HB ASN 51 -10.484 2.878 -15.287 407 2HB ASN 51 1HB ASN 51 -12.172 3.223 -14.924 408 1HD2 ASN 51 1HD2 ASN 51 -11.867 4.255 -12.350 409 2HD2 ASN 51 2HD2 ASN 51 -11.046 5.770 -12.461 410 HA PRO 52 HA PRO 52 -7.832 1.214 -10.966 411 1HB PRO 52 2HB PRO 52 -6.215 -0.464 -12.381 412 2HB PRO 52 1HB PRO 52 -7.547 -1.027 -11.365 413 1HG PRO 52 2HG PRO 52 -7.475 -0.605 -14.331 414 2HG PRO 52 1HG PRO 52 -8.157 -1.961 -13.412 415 1HD PRO 52 2HD PRO 52 -9.712 -0.002 -14.395 416 2HD PRO 52 1HD PRO 52 -10.062 -0.775 -12.836 417 H THR 53 H THR 53 -4.895 2.765 -12.355 418 HA THR 53 HA THR 53 -5.962 0.674 -10.596 419 HB THR 53 HB THR 53 -3.909 -0.199 -10.704 420 HG1 THR 53 1HG THR 53 -2.861 2.252 -9.760 421 1HG2 THR 53 1HG2 THR 53 -3.151 2.286 -12.206 422 2HG2 THR 53 2HG2 THR 53 -3.455 0.669 -12.845 423 3HG2 THR 53 3HG2 THR 53 -2.019 0.977 -11.869 424 H TRP 54 H TRP 54 -6.450 1.083 -8.530 425 HA TRP 54 HA TRP 54 -6.096 3.835 -7.594 426 1HB TRP 54 2HB TRP 54 -7.895 1.628 -6.577 427 2HB TRP 54 1HB TRP 54 -7.825 3.259 -5.919 428 HD1 TRP 54 HD TRP 54 -8.598 1.582 -9.338 429 HE1 TRP 54 1HE TRP 54 -10.452 2.948 -10.481 430 HE3 TRP 54 3HE TRP 54 -9.109 5.309 -5.876 431 HZ2 TRP 54 2HZ TRP 54 -11.944 5.295 -9.977 432 HZ3 TRP 54 3HZ TRP 54 -10.771 7.078 -6.283 433 HH2 TRP 54 HH TRP 54 -12.157 7.071 -8.293 434 H HIS 55 H HIS 55 -3.995 3.812 -6.826 435 HA HIS 55 HA HIS 55 -2.894 1.807 -5.183 436 1HB HIS 55 2HB HIS 55 -2.114 4.721 -5.071 437 2HB HIS 55 1HB HIS 55 -1.096 3.310 -4.797 438 HD1 HIS 55 1HD HIS 55 0.441 4.569 -6.640 439 HD2 HIS 55 2HD HIS 55 -3.125 2.921 -7.996 440 HE1 HIS 55 1HE HIS 55 0.683 4.407 -9.137 441 HE2 HIS 55 2HE HIS 55 -1.455 3.335 -9.929 442 H CYS 56 H CYS 56 -4.433 1.277 -3.628 443 HA CYS 56 HA CYS 56 -5.146 3.371 -1.701 444 1HB CYS 56 2HB CYS 56 -7.080 2.226 -1.248 445 2HB CYS 56 1HB CYS 56 -6.818 1.731 -2.916 446 HG CYS 56 HG CYS 56 -7.032 -0.534 -2.006 447 H ILE 57 H ILE 57 -4.428 3.395 0.305 448 HA ILE 57 HA ILE 57 -3.048 1.007 1.350 449 HB ILE 57 HB ILE 57 -2.278 3.865 1.945 450 1HG1 ILE 57 2HG1 ILE 57 -1.620 3.512 -0.307 451 2HG1 ILE 57 1HG1 ILE 57 -0.173 3.230 0.653 452 1HG2 ILE 57 1HG2 ILE 57 -0.535 3.021 3.242 453 2HG2 ILE 57 2HG2 ILE 57 -0.662 1.410 2.535 454 3HG2 ILE 57 3HG2 ILE 57 -1.900 1.984 3.651 455 1HD1 ILE 57 1HD1 ILE 57 -1.470 1.502 -1.199 456 2HD1 ILE 57 2HD1 ILE 57 -1.470 0.749 0.395 457 3HD1 ILE 57 3HD1 ILE 57 0.049 1.269 -0.335 458 H VAL 58 H VAL 58 -4.594 0.227 2.699 459 HA VAL 58 HA VAL 58 -5.927 2.082 4.530 460 HB VAL 58 HB VAL 58 -7.463 0.631 3.424 461 1HG1 VAL 58 1HG1 VAL 58 -7.010 -1.458 2.816 462 2HG1 VAL 58 2HG1 VAL 58 -6.594 -1.923 4.466 463 3HG1 VAL 58 3HG1 VAL 58 -5.375 -1.189 3.421 464 1HG2 VAL 58 1HG2 VAL 58 -8.542 0.637 5.372 465 2HG2 VAL 58 2HG2 VAL 58 -7.037 0.491 6.280 466 3HG2 VAL 58 3HG2 VAL 58 -7.847 -0.955 5.676 467 H GLY 59 H GLY 59 -5.117 2.363 6.487 468 1HA GLY 59 2HA GLY 59 -3.919 0.063 7.867 469 2HA GLY 59 1HA GLY 59 -3.019 1.571 7.766 470 H ARG 60 H ARG 60 -3.056 2.511 9.703 471 HA ARG 60 HA ARG 60 -5.515 3.362 10.850 472 1HB ARG 60 2HB ARG 60 -4.886 2.179 13.083 473 2HB ARG 60 1HB ARG 60 -5.776 1.304 11.845 474 1HG ARG 60 2HG ARG 60 -3.297 0.673 11.099 475 2HG ARG 60 1HG ARG 60 -3.017 0.927 12.822 476 1HD ARG 60 2HD ARG 60 -5.357 -0.561 12.715 477 2HD ARG 60 1HD ARG 60 -4.336 -1.264 11.461 478 HE ARG 60 HE ARG 60 -2.613 -1.506 13.238 479 1HH1 ARG 60 1HH1 ARG 60 -5.984 -1.262 14.076 480 2HH1 ARG 60 2HH1 ARG 60 -5.804 -2.100 15.581 481 1HH2 ARG 60 1HH2 ARG 60 -2.363 -2.609 15.217 482 2HH2 ARG 60 2HH2 ARG 60 -3.743 -2.865 16.231 483 H ASN 61 H ASN 61 -2.298 3.651 10.294 484 HA ASN 61 HA ASN 61 -1.979 6.112 11.512 485 1HB ASN 61 2HB ASN 61 -2.104 4.485 13.566 486 2HB ASN 61 1HB ASN 61 -0.433 4.132 13.143 487 1HD2 ASN 61 1HD2 ASN 61 0.916 5.224 14.356 488 2HD2 ASN 61 2HD2 ASN 61 0.721 6.856 14.891 489 H PHE 62 H PHE 62 -1.288 4.699 9.118 490 HA PHE 62 HA PHE 62 1.592 4.390 9.158 491 1HB PHE 62 2HB PHE 62 1.362 3.698 6.848 492 2HB PHE 62 1HB PHE 62 0.145 2.877 7.819 493 HD1 PHE 62 1HD PHE 62 0.711 4.627 4.858 494 HD2 PHE 62 2HD PHE 62 -2.170 4.159 7.954 495 HE1 PHE 62 1HE PHE 62 -1.043 5.456 3.345 496 HE2 PHE 62 2HE PHE 62 -3.931 4.986 6.446 497 HZ PHE 62 HZ PHE 62 -3.368 5.634 4.138 498 H GLY 63 H GLY 63 2.872 5.468 7.402 499 1HA GLY 63 2HA GLY 63 2.015 8.284 7.128 500 2HA GLY 63 1HA GLY 63 3.690 7.795 7.358 501 H SER 64 H SER 64 0.984 7.790 5.129 502 HA SER 64 HA SER 64 2.534 6.710 2.964 503 1HB SER 64 2HB SER 64 0.533 6.993 1.628 504 2HB SER 64 1HB SER 64 0.094 6.303 3.190 505 HG SER 64 HG SER 64 -0.574 8.364 3.852 506 H TYR 65 H TYR 65 3.774 7.760 1.609 507 HA TYR 65 HA TYR 65 3.323 10.626 1.146 508 1HB TYR 65 2HB TYR 65 5.272 10.157 2.731 509 2HB TYR 65 1HB TYR 65 6.086 9.424 1.354 510 HD1 TYR 65 1HD TYR 65 7.228 10.756 -0.214 511 HD2 TYR 65 2HD TYR 65 4.589 12.598 2.570 512 HE1 TYR 65 1HE TYR 65 8.041 12.967 -0.916 513 HE2 TYR 65 2HE TYR 65 5.395 14.815 1.875 514 HH TYR 65 HH TYR 65 8.074 15.173 -0.380 515 H VAL 66 H VAL 66 2.167 9.393 -0.638 516 HA VAL 66 HA VAL 66 3.983 8.520 -2.763 517 HB VAL 66 HB VAL 66 1.767 7.888 -3.902 518 1HG1 VAL 66 1HG1 VAL 66 2.232 6.373 -1.360 519 2HG1 VAL 66 2HG1 VAL 66 3.449 6.394 -2.637 520 3HG1 VAL 66 3HG1 VAL 66 1.836 5.761 -2.966 521 1HG2 VAL 66 1HG2 VAL 66 0.296 7.421 -1.546 522 2HG2 VAL 66 2HG2 VAL 66 -0.120 8.480 -2.892 523 3HG2 VAL 66 3HG2 VAL 66 0.780 9.116 -1.515 524 H THR 67 H THR 67 3.145 9.108 -5.038 525 HA THR 67 HA THR 67 2.607 12.005 -5.080 526 HB THR 67 HB THR 67 4.193 10.227 -6.927 527 HG1 THR 67 1HG THR 67 5.509 11.041 -5.431 528 1HG2 THR 67 1HG2 THR 67 4.613 12.312 -8.262 529 2HG2 THR 67 2HG2 THR 67 3.204 13.010 -7.463 530 3HG2 THR 67 3HG2 THR 67 3.026 11.573 -8.470 531 H HIS 68 H HIS 68 0.309 11.312 -4.885 532 HA HIS 68 HA HIS 68 -1.056 9.828 -6.798 533 1HB HIS 68 2HB HIS 68 -3.037 10.709 -5.894 534 2HB HIS 68 1HB HIS 68 -1.893 10.774 -4.558 535 HD1 HIS 68 1HD HIS 68 -1.095 13.117 -3.793 536 HD2 HIS 68 2HD HIS 68 -3.897 13.183 -6.860 537 HE1 HIS 68 1HE HIS 68 -1.885 15.500 -3.930 538 HE2 HIS 68 2HE HIS 68 -3.533 15.530 -5.837 539 H GLU 69 H GLU 69 -3.076 11.456 -7.793 540 HA GLU 69 HA GLU 69 -2.457 13.752 -9.135 541 1HB GLU 69 2HB GLU 69 -1.895 12.819 -11.442 542 2HB GLU 69 1HB GLU 69 -0.604 12.807 -10.248 543 1HG GLU 69 2HG GLU 69 -1.006 10.447 -9.818 544 2HG GLU 69 1HG GLU 69 -2.329 10.451 -10.981 545 H THR 70 H THR 70 -3.421 12.990 -11.784 546 HA THR 70 HA THR 70 -5.430 12.909 -12.859 547 HB THR 70 HB THR 70 -6.864 10.925 -11.539 548 HG1 THR 70 1HG THR 70 -5.138 9.360 -11.195 549 1HG2 THR 70 1HG2 THR 70 -6.321 9.520 -13.305 550 2HG2 THR 70 2HG2 THR 70 -4.735 10.257 -13.530 551 3HG2 THR 70 3HG2 THR 70 -6.191 11.138 -13.996 552 H LYS 71 H LYS 71 -7.132 11.643 -10.144 553 HA LYS 71 HA LYS 71 -7.903 13.895 -8.752 554 1HB LYS 71 2HB LYS 71 -10.308 13.945 -9.976 555 2HB LYS 71 1HB LYS 71 -8.998 15.053 -10.361 556 1HG LYS 71 2HG LYS 71 -8.418 13.873 -12.299 557 2HG LYS 71 1HG LYS 71 -9.343 12.451 -11.810 558 1HD LYS 71 2HD LYS 71 -11.405 13.920 -11.951 559 2HD LYS 71 1HD LYS 71 -10.383 15.113 -12.754 560 1HE LYS 71 2HE LYS 71 -9.986 13.694 -14.587 561 2HE LYS 71 1HE LYS 71 -10.575 12.276 -13.721 562 1HZ LYS 71 1HZ LYS 71 -12.021 14.131 -15.308 563 2HZ LYS 71 2HZ LYS 71 -12.674 14.059 -13.749 564 3HZ LYS 71 3HZ LYS 71 -12.528 12.648 -14.670 565 H HIS 72 H HIS 72 -7.635 10.876 -8.855 566 HA HIS 72 HA HIS 72 -10.141 10.265 -7.430 567 1HB HIS 72 2HB HIS 72 -8.439 8.342 -9.032 568 2HB HIS 72 1HB HIS 72 -9.920 7.940 -8.169 569 HD1 HIS 72 1HD HIS 72 -12.111 8.375 -9.350 570 HD2 HIS 72 2HD HIS 72 -8.839 9.944 -11.376 571 HE1 HIS 72 1HE HIS 72 -12.992 9.101 -11.591 572 HE2 HIS 72 2HE HIS 72 -11.014 10.129 -12.764 573 H PHE 73 H PHE 73 -8.018 11.411 -6.098 574 HA PHE 73 HA PHE 73 -6.898 9.141 -4.586 575 1HB PHE 73 2HB PHE 73 -4.994 10.188 -5.374 576 2HB PHE 73 1HB PHE 73 -5.742 11.781 -5.379 577 HD1 PHE 73 1HD PHE 73 -4.816 13.272 -3.918 578 HD2 PHE 73 2HD PHE 73 -4.944 9.159 -2.834 579 HE1 PHE 73 1HE PHE 73 -3.702 13.803 -1.791 580 HE2 PHE 73 2HE PHE 73 -3.831 9.683 -0.703 581 HZ PHE 73 HZ PHE 73 -3.209 12.008 -0.179 582 H ILE 74 H ILE 74 -8.030 8.860 -2.775 583 HA ILE 74 HA ILE 74 -8.793 11.260 -1.246 584 HB ILE 74 HB ILE 74 -10.761 10.093 -2.233 585 1HG1 ILE 74 2HG1 ILE 74 -10.353 10.372 0.731 586 2HG1 ILE 74 1HG1 ILE 74 -11.256 11.410 -0.362 587 1HG2 ILE 74 1HG2 ILE 74 -9.409 7.808 -1.117 588 2HG2 ILE 74 2HG2 ILE 74 -10.768 7.869 -2.241 589 3HG2 ILE 74 3HG2 ILE 74 -11.060 7.917 -0.502 590 1HD1 ILE 74 1HD1 ILE 74 -13.141 10.352 0.107 591 2HD1 ILE 74 2HD1 ILE 74 -12.263 9.464 1.352 592 3HD1 ILE 74 3HD1 ILE 74 -12.425 8.783 -0.267 593 H TYR 75 H TYR 75 -8.004 11.374 0.741 594 HA TYR 75 HA TYR 75 -7.044 8.896 2.011 595 1HB TYR 75 2HB TYR 75 -5.201 10.415 1.268 596 2HB TYR 75 1HB TYR 75 -5.843 11.652 2.344 597 HD1 TYR 75 1HD TYR 75 -5.511 11.527 4.718 598 HD2 TYR 75 2HD TYR 75 -4.173 8.377 2.193 599 HE1 TYR 75 1HE TYR 75 -4.200 10.601 6.579 600 HE2 TYR 75 2HE TYR 75 -2.858 7.441 4.046 601 HH TYR 75 HH TYR 75 -2.002 9.047 6.690 602 H PHE 76 H PHE 76 -8.410 8.406 3.588 603 HA PHE 76 HA PHE 76 -9.186 10.519 5.471 604 1HB PHE 76 2HB PHE 76 -11.449 9.333 5.619 605 2HB PHE 76 1HB PHE 76 -11.150 10.307 4.183 606 HD1 PHE 76 1HD PHE 76 -12.216 7.175 5.378 607 HD2 PHE 76 2HD PHE 76 -10.185 9.025 2.129 608 HE1 PHE 76 1HE PHE 76 -12.720 5.229 3.960 609 HE2 PHE 76 2HE PHE 76 -10.687 7.083 0.704 610 HZ PHE 76 HZ PHE 76 -11.956 5.181 1.620 611 H TYR 77 H TYR 77 -10.289 9.448 7.459 612 HA TYR 77 HA TYR 77 -8.856 6.967 8.136 613 1HB TYR 77 2HB TYR 77 -7.661 8.689 9.265 614 2HB TYR 77 1HB TYR 77 -9.148 9.475 9.787 615 HD1 TYR 77 1HD TYR 77 -10.486 8.506 11.614 616 HD2 TYR 77 2HD TYR 77 -6.748 6.827 10.472 617 HE1 TYR 77 1HE TYR 77 -10.408 7.257 13.730 618 HE2 TYR 77 2HE TYR 77 -6.659 5.572 12.586 619 HH TYR 77 HH TYR 77 -7.567 5.505 14.728 620 H LEU 78 H LEU 78 -10.294 5.410 8.461 621 HA LEU 78 HA LEU 78 -13.027 5.976 9.154 622 1HB LEU 78 2HB LEU 78 -11.495 3.413 8.752 623 2HB LEU 78 1HB LEU 78 -13.185 3.442 9.215 624 HG LEU 78 HG LEU 78 -12.628 3.094 6.743 625 1HD1 LEU 78 1HD1 LEU 78 -14.448 5.188 6.415 626 2HD1 LEU 78 2HD1 LEU 78 -14.716 4.569 8.044 627 3HD1 LEU 78 3HD1 LEU 78 -14.804 3.479 6.661 628 1HD2 LEU 78 1HD2 LEU 78 -12.575 5.498 5.646 629 2HD2 LEU 78 2HD2 LEU 78 -11.094 4.648 6.087 630 3HD2 LEU 78 3HD2 LEU 78 -11.739 5.900 7.148 631 H GLY 79 H GLY 79 -13.930 4.229 10.884 632 1HA GLY 79 2HA GLY 79 -13.154 5.202 13.401 633 2HA GLY 79 1HA GLY 79 -14.148 3.779 13.127 634 H GLN 80 H GLN 80 -10.921 4.969 13.679 635 HA GLN 80 HA GLN 80 -9.137 3.931 14.681 636 1HB GLN 80 2HB GLN 80 -10.898 1.474 14.587 637 2HB GLN 80 1HB GLN 80 -9.316 1.540 15.350 638 1HG GLN 80 2HG GLN 80 -10.057 2.936 17.056 639 2HG GLN 80 1HG GLN 80 -11.496 3.421 16.159 640 1HE2 GLN 80 1HE2 GLN 80 -9.968 0.481 17.435 641 2HE2 GLN 80 2HE2 GLN 80 -11.431 -0.235 18.012 642 H VAL 81 H VAL 81 -9.857 4.033 11.750 643 HA VAL 81 HA VAL 81 -7.610 2.438 10.836 644 HB VAL 81 HB VAL 81 -10.371 2.082 9.660 645 1HG1 VAL 81 1HG1 VAL 81 -8.735 2.135 7.889 646 2HG1 VAL 81 2HG1 VAL 81 -9.268 0.473 8.139 647 3HG1 VAL 81 3HG1 VAL 81 -7.705 1.001 8.760 648 1HG2 VAL 81 1HG2 VAL 81 -8.656 0.449 11.450 649 2HG2 VAL 81 2HG2 VAL 81 -9.604 -0.392 10.222 650 3HG2 VAL 81 3HG2 VAL 81 -10.411 0.627 11.414 651 H ALA 82 H ALA 82 -7.270 2.851 8.398 652 HA ALA 82 HA ALA 82 -8.249 5.446 7.513 653 1HB ALA 82 1HB ALA 82 -6.401 6.289 8.632 654 2HB ALA 82 2HB ALA 82 -5.790 6.066 6.993 655 3HB ALA 82 3HB ALA 82 -5.403 4.889 8.247 656 H ILE 83 H ILE 83 -7.877 5.856 5.277 657 HA ILE 83 HA ILE 83 -6.875 3.575 3.723 658 HB ILE 83 HB ILE 83 -9.221 4.929 2.559 659 1HG1 ILE 83 2HG1 ILE 83 -9.856 4.693 4.972 660 2HG1 ILE 83 1HG1 ILE 83 -10.864 3.755 3.875 661 1HG2 ILE 83 1HG2 ILE 83 -9.574 2.193 2.497 662 2HG2 ILE 83 2HG2 ILE 83 -7.823 2.389 2.427 663 3HG2 ILE 83 3HG2 ILE 83 -8.848 3.182 1.230 664 1HD1 ILE 83 1HD1 ILE 83 -10.499 2.065 5.272 665 2HD1 ILE 83 2HD1 ILE 83 -9.135 2.878 6.040 666 3HD1 ILE 83 3HD1 ILE 83 -8.895 1.976 4.544 667 H LEU 84 H LEU 84 -5.515 4.168 2.172 668 HA LEU 84 HA LEU 84 -5.475 6.996 1.349 669 1HB LEU 84 2HB LEU 84 -3.409 6.667 2.314 670 2HB LEU 84 1HB LEU 84 -3.333 4.983 1.836 671 HG LEU 84 HG LEU 84 -3.064 5.906 -0.571 672 1HD1 LEU 84 1HD1 LEU 84 -3.649 8.234 0.068 673 2HD1 LEU 84 2HD1 LEU 84 -2.097 8.091 -0.756 674 3HD1 LEU 84 3HD1 LEU 84 -2.149 8.314 0.992 675 1HD2 LEU 84 1HD2 LEU 84 -1.324 4.962 1.249 676 2HD2 LEU 84 2HD2 LEU 84 -0.655 6.574 0.999 677 3HD2 LEU 84 3HD2 LEU 84 -0.853 5.480 -0.371 678 H LEU 85 H LEU 85 -7.006 6.699 -0.320 679 HA LEU 85 HA LEU 85 -6.337 4.835 -2.468 680 1HB LEU 85 2HB LEU 85 -8.742 5.879 -1.416 681 2HB LEU 85 1HB LEU 85 -8.604 6.495 -3.052 682 HG LEU 85 HG LEU 85 -8.135 4.024 -3.696 683 1HD1 LEU 85 1HD1 LEU 85 -8.305 3.685 -0.971 684 2HD1 LEU 85 2HD1 LEU 85 -8.423 2.413 -2.187 685 3HD1 LEU 85 3HD1 LEU 85 -9.887 3.157 -1.545 686 1HD2 LEU 85 1HD2 LEU 85 -10.212 4.057 -4.512 687 2HD2 LEU 85 2HD2 LEU 85 -10.379 5.613 -3.698 688 3HD2 LEU 85 3HD2 LEU 85 -10.935 4.139 -2.906 689 H PHE 86 H PHE 86 -5.306 5.411 -4.242 690 HA PHE 86 HA PHE 86 -5.643 7.945 -5.498 691 1HB PHE 86 2HB PHE 86 -3.619 9.011 -5.088 692 2HB PHE 86 1HB PHE 86 -4.005 8.334 -3.510 693 HD1 PHE 86 1HD PHE 86 -2.832 6.287 -2.732 694 HD2 PHE 86 2HD PHE 86 -1.695 8.343 -6.281 695 HE1 PHE 86 1HE PHE 86 -0.653 5.143 -2.691 696 HE2 PHE 86 2HE PHE 86 0.485 7.200 -6.248 697 HZ PHE 86 HZ PHE 86 1.007 5.600 -4.451 698 H LYS 87 H LYS 87 -5.170 7.807 -7.621 699 HA LYS 87 HA LYS 87 -3.864 5.337 -8.529 700 1HB LYS 87 2HB LYS 87 -5.070 6.784 -10.684 701 2HB LYS 87 1HB LYS 87 -5.481 5.193 -10.061 702 1HG LYS 87 2HG LYS 87 -6.657 6.758 -8.205 703 2HG LYS 87 1HG LYS 87 -6.783 7.792 -9.630 704 1HD LYS 87 2HD LYS 87 -7.754 4.947 -9.377 705 2HD LYS 87 1HD LYS 87 -8.756 6.397 -9.443 706 1HE LYS 87 2HE LYS 87 -6.848 5.967 -11.667 707 2HE LYS 87 1HE LYS 87 -8.241 4.890 -11.588 708 1HZ LYS 87 1HZ LYS 87 -8.655 6.866 -12.946 709 2HZ LYS 87 2HZ LYS 87 -8.384 7.856 -11.602 710 3HZ LYS 87 3HZ LYS 87 -9.698 6.792 -11.615 711 H SER 88 H SER 88 -3.313 6.183 -11.162 712 HA SER 88 HA SER 88 -1.507 8.451 -10.910 713 1HB SER 88 2HB SER 88 -0.654 5.640 -11.042 714 2HB SER 88 1HB SER 88 0.140 6.701 -12.207 715 HG SER 88 HG SER 88 0.652 6.446 -9.622 716 H GLY 89 H GLY 89 -3.933 7.482 -12.422 717 1HA GLY 89 2HA GLY 89 -3.973 8.908 -14.645 718 2HA GLY 89 1HA GLY 89 -2.972 7.566 -15.181 719 1H MET 1 1HT MET 1 22.366 -7.129 14.623 720 2H MET 1 2HT MET 1 21.257 -6.128 13.779 721 3H MET 1 3HT MET 1 22.243 -5.466 15.018 722 HA MET 1 HA MET 1 23.800 -5.014 13.608 723 1HB MET 1 2HB MET 1 23.547 -7.950 12.944 724 2HB MET 1 1HB MET 1 24.798 -6.918 12.263 725 1HG MET 1 2HG MET 1 24.399 -7.289 15.217 726 2HG MET 1 1HG MET 1 25.469 -8.299 14.247 727 1HE MET 1 1HE MET 1 26.360 -6.687 16.823 728 2HE MET 1 2HE MET 1 27.882 -5.952 16.320 729 3HE MET 1 3HE MET 1 27.531 -7.628 15.896 730 H CYS 2 H CYS 2 24.127 -6.385 10.942 731 HA CYS 2 HA CYS 2 23.637 -5.690 8.806 732 1HB CYS 2 2HB CYS 2 20.907 -6.603 9.740 733 2HB CYS 2 1HB CYS 2 21.424 -6.459 8.062 734 HG CYS 2 HG CYS 2 23.304 -8.355 8.975 735 H ASP 3 H ASP 3 23.970 -3.468 8.872 736 HA ASP 3 HA ASP 3 22.333 -1.519 9.920 737 1HB ASP 3 2HB ASP 3 24.647 -1.355 8.711 738 2HB ASP 3 1HB ASP 3 23.671 -1.065 7.274 739 H ARG 4 H ARG 4 21.676 -3.614 7.326 740 HA ARG 4 HA ARG 4 20.033 -2.101 5.671 741 1HB ARG 4 2HB ARG 4 19.626 -4.997 6.437 742 2HB ARG 4 1HB ARG 4 19.019 -4.204 4.990 743 1HG ARG 4 2HG ARG 4 21.897 -4.749 5.681 744 2HG ARG 4 1HG ARG 4 20.936 -5.530 4.423 745 1HD ARG 4 2HD ARG 4 21.171 -3.805 2.993 746 2HD ARG 4 1HD ARG 4 21.054 -2.597 4.271 747 HE ARG 4 HE ARG 4 23.340 -2.579 4.415 748 1HH1 ARG 4 1HH1 ARG 4 22.329 -5.394 2.633 749 2HH1 ARG 4 2HH1 ARG 4 23.936 -5.837 2.165 750 1HH2 ARG 4 1HH2 ARG 4 25.463 -3.149 3.802 751 2HH2 ARG 4 2HH2 ARG 4 25.719 -4.561 2.830 752 H LYS 5 H LYS 5 19.046 -4.142 8.427 753 HA LYS 5 HA LYS 5 17.258 -4.038 9.832 754 1HB LYS 5 2HB LYS 5 17.708 -1.207 9.062 755 2HB LYS 5 1HB LYS 5 16.160 -1.586 9.804 756 1HG LYS 5 2HG LYS 5 18.070 -2.866 11.387 757 2HG LYS 5 1HG LYS 5 18.744 -1.278 11.018 758 1HD LYS 5 2HD LYS 5 17.393 -0.356 12.521 759 2HD LYS 5 1HD LYS 5 15.992 -0.938 11.620 760 1HE LYS 5 2HE LYS 5 16.427 -1.632 14.140 761 2HE LYS 5 1HE LYS 5 15.693 -2.739 12.980 762 1HZ LYS 5 1HZ LYS 5 17.333 -4.142 13.414 763 2HZ LYS 5 2HZ LYS 5 18.117 -3.015 14.402 764 3HZ LYS 5 3HZ LYS 5 18.435 -3.048 12.740 765 H ALA 6 H ALA 6 14.816 -3.005 9.809 766 HA ALA 6 HA ALA 6 12.751 -3.026 8.842 767 1HB ALA 6 1HB ALA 6 13.944 -3.276 6.114 768 2HB ALA 6 2HB ALA 6 14.074 -1.761 7.007 769 3HB ALA 6 3HB ALA 6 12.486 -2.425 6.626 770 H VAL 7 H VAL 7 11.338 -4.428 7.409 771 HA VAL 7 HA VAL 7 12.391 -7.157 7.159 772 HB VAL 7 HB VAL 7 9.759 -6.429 8.458 773 1HG1 VAL 7 1HG1 VAL 7 10.945 -9.171 8.077 774 2HG1 VAL 7 2HG1 VAL 7 9.729 -8.473 7.007 775 3HG1 VAL 7 3HG1 VAL 7 9.347 -8.763 8.704 776 1HG2 VAL 7 1HG2 VAL 7 10.654 -7.198 10.497 777 2HG2 VAL 7 2HG2 VAL 7 11.896 -6.153 9.807 778 3HG2 VAL 7 3HG2 VAL 7 12.063 -7.906 9.705 779 H ILE 8 H ILE 8 12.424 -6.115 4.922 780 HA ILE 8 HA ILE 8 10.517 -5.297 3.309 781 HB ILE 8 HB ILE 8 12.743 -7.164 2.910 782 1HG1 ILE 8 2HG1 ILE 8 12.791 -5.621 0.765 783 2HG1 ILE 8 1HG1 ILE 8 11.647 -4.664 1.702 784 1HG2 ILE 8 1HG2 ILE 8 10.295 -7.696 1.486 785 2HG2 ILE 8 2HG2 ILE 8 11.821 -8.577 1.466 786 3HG2 ILE 8 3HG2 ILE 8 11.579 -7.212 0.379 787 1HD1 ILE 8 1HD1 ILE 8 14.517 -4.916 1.966 788 2HD1 ILE 8 2HD1 ILE 8 13.676 -5.188 3.492 789 3HD1 ILE 8 3HD1 ILE 8 13.423 -3.688 2.600 790 H LYS 9 H LYS 9 8.668 -5.950 2.309 791 HA LYS 9 HA LYS 9 7.645 -8.634 2.932 792 1HB LYS 9 2HB LYS 9 5.945 -6.141 3.008 793 2HB LYS 9 1HB LYS 9 5.478 -7.768 3.480 794 1HG LYS 9 2HG LYS 9 7.782 -6.644 4.922 795 2HG LYS 9 1HG LYS 9 6.232 -5.851 5.211 796 1HD LYS 9 2HD LYS 9 5.290 -7.737 6.144 797 2HD LYS 9 1HD LYS 9 6.391 -8.831 5.301 798 1HE LYS 9 2HE LYS 9 7.894 -8.761 6.955 799 2HE LYS 9 1HE LYS 9 7.763 -7.009 7.111 800 1HZ LYS 9 1HZ LYS 9 6.156 -7.175 8.692 801 2HZ LYS 9 2HZ LYS 9 6.986 -8.611 9.018 802 3HZ LYS 9 3HZ LYS 9 5.556 -8.648 8.116 803 H ASN 10 H ASN 10 8.521 -6.525 0.608 804 HA ASN 10 HA ASN 10 7.616 -7.966 -1.552 805 1HB ASN 10 2HB ASN 10 5.413 -6.811 -0.462 806 2HB ASN 10 1HB ASN 10 5.893 -5.567 -1.613 807 1HD2 ASN 10 1HD2 ASN 10 6.897 -7.040 -3.664 808 2HD2 ASN 10 2HD2 ASN 10 5.650 -8.009 -4.365 809 H ALA 11 H ALA 11 9.739 -7.373 -2.119 810 HA ALA 11 HA ALA 11 10.011 -4.594 -3.063 811 1HB ALA 11 1HB ALA 11 12.288 -4.591 -2.520 812 2HB ALA 11 2HB ALA 11 12.332 -6.343 -2.326 813 3HB ALA 11 3HB ALA 11 11.498 -5.345 -1.135 814 H ASP 12 H ASP 12 9.241 -5.032 -5.140 815 HA ASP 12 HA ASP 12 10.618 -7.048 -6.730 816 1HB ASP 12 2HB ASP 12 8.045 -5.746 -6.833 817 2HB ASP 12 1HB ASP 12 8.871 -5.578 -8.378 818 H MET 13 H MET 13 12.030 -4.706 -5.741 819 HA MET 13 HA MET 13 12.747 -3.435 -8.300 820 1HB MET 13 2HB MET 13 11.925 -1.695 -6.956 821 2HB MET 13 1HB MET 13 12.659 -2.349 -5.500 822 1HG MET 13 2HG MET 13 14.729 -1.495 -5.990 823 2HG MET 13 1HG MET 13 14.416 -1.441 -7.724 824 1HE MET 13 1HE MET 13 12.022 -0.125 -4.889 825 2HE MET 13 2HE MET 13 12.574 1.541 -4.719 826 3HE MET 13 3HE MET 13 13.630 0.211 -4.247 827 H SER 14 H SER 14 15.073 -2.633 -8.302 828 HA SER 14 HA SER 14 16.869 -4.666 -8.273 829 1HB SER 14 2HB SER 14 17.858 -2.861 -9.243 830 2HB SER 14 1HB SER 14 17.099 -1.722 -8.131 831 HG SER 14 HG SER 14 19.546 -2.317 -8.064 832 H GLU 15 H GLU 15 18.283 -5.621 -6.855 833 HA GLU 15 HA GLU 15 17.574 -5.920 -4.199 834 1HB GLU 15 2HB GLU 15 19.672 -6.830 -5.907 835 2HB GLU 15 1HB GLU 15 20.389 -6.310 -4.388 836 1HG GLU 15 2HG GLU 15 18.237 -7.763 -3.540 837 2HG GLU 15 1HG GLU 15 18.734 -8.636 -4.989 838 H GLU 16 H GLU 16 20.351 -4.044 -5.432 839 HA GLU 16 HA GLU 16 21.069 -2.881 -2.999 840 1HB GLU 16 2HB GLU 16 21.359 -1.567 -5.702 841 2HB GLU 16 1HB GLU 16 22.358 -1.312 -4.278 842 1HG GLU 16 2HG GLU 16 23.700 -2.983 -4.831 843 2HG GLU 16 1HG GLU 16 22.342 -4.090 -5.033 844 H MET 17 H MET 17 18.507 -2.144 -5.207 845 HA MET 17 HA MET 17 18.003 0.504 -4.252 846 1HB MET 17 2HB MET 17 16.458 -1.438 -5.952 847 2HB MET 17 1HB MET 17 15.738 0.075 -5.419 848 1HG MET 17 2HG MET 17 18.287 0.670 -6.490 849 2HG MET 17 1HG MET 17 17.462 -0.401 -7.620 850 1HE MET 17 1HE MET 17 15.664 2.251 -5.197 851 2HE MET 17 2HE MET 17 15.871 3.686 -6.202 852 3HE MET 17 3HE MET 17 17.284 2.850 -5.556 853 H GLN 18 H GLN 18 16.596 -2.692 -3.635 854 HA GLN 18 HA GLN 18 14.591 -1.808 -1.855 855 1HB GLN 18 2HB GLN 18 15.033 -4.341 -1.021 856 2HB GLN 18 1HB GLN 18 14.069 -3.930 -2.433 857 1HG GLN 18 2HG GLN 18 16.703 -4.039 -3.343 858 2HG GLN 18 1HG GLN 18 16.521 -5.415 -2.256 859 1HE2 GLN 18 1HE2 GLN 18 13.526 -4.695 -3.356 860 2HE2 GLN 18 2HE2 GLN 18 13.439 -5.769 -4.705 861 H GLN 19 H GLN 19 17.938 -2.782 -1.412 862 HA GLN 19 HA GLN 19 17.822 -2.728 1.450 863 1HB GLN 19 2HB GLN 19 20.250 -2.607 -0.350 864 2HB GLN 19 1HB GLN 19 20.237 -3.008 1.362 865 1HG GLN 19 2HG GLN 19 18.742 -4.635 -0.665 866 2HG GLN 19 1HG GLN 19 20.441 -4.923 -0.291 867 1HE2 GLN 19 1HE2 GLN 19 17.632 -6.217 0.243 868 2HE2 GLN 19 2HE2 GLN 19 17.785 -6.751 1.879 869 H ASP 20 H ASP 20 18.868 -0.553 -1.114 870 HA ASP 20 HA ASP 20 19.833 1.468 0.634 871 1HB ASP 20 2HB ASP 20 19.646 1.065 -2.203 872 2HB ASP 20 1HB ASP 20 19.008 2.658 -1.803 873 H SER 21 H SER 21 16.757 0.557 -0.641 874 HA SER 21 HA SER 21 15.367 2.982 -0.177 875 1HB SER 21 2HB SER 21 13.790 1.834 -1.284 876 2HB SER 21 1HB SER 21 14.748 0.362 -1.146 877 HG SER 21 HG SER 21 12.458 0.771 -0.047 878 H VAL 22 H VAL 22 15.748 -0.002 1.715 879 HA VAL 22 HA VAL 22 14.167 0.722 3.904 880 HB VAL 22 HB VAL 22 16.623 -1.038 3.820 881 1HG1 VAL 22 1HG1 VAL 22 16.171 -1.774 5.985 882 2HG1 VAL 22 2HG1 VAL 22 14.546 -1.091 5.980 883 3HG1 VAL 22 3HG1 VAL 22 15.948 -0.028 6.089 884 1HG2 VAL 22 1HG2 VAL 22 14.427 -2.625 4.252 885 2HG2 VAL 22 2HG2 VAL 22 15.223 -2.375 2.698 886 3HG2 VAL 22 3HG2 VAL 22 13.811 -1.411 3.131 887 H GLU 23 H GLU 23 17.660 1.144 3.363 888 HA GLU 23 HA GLU 23 18.284 2.368 5.786 889 1HB GLU 23 2HB GLU 23 19.525 2.969 3.093 890 2HB GLU 23 1HB GLU 23 20.253 3.265 4.666 891 1HG GLU 23 2HG GLU 23 19.453 0.511 3.803 892 2HG GLU 23 1HG GLU 23 21.010 1.209 3.359 893 H CYS 24 H CYS 24 17.003 3.741 2.793 894 HA CYS 24 HA CYS 24 17.196 6.454 3.586 895 1HB CYS 24 2HB CYS 24 16.420 5.110 1.282 896 2HB CYS 24 1HB CYS 24 14.932 5.871 1.834 897 HG CYS 24 HG CYS 24 17.417 7.679 1.505 898 H ALA 25 H ALA 25 14.777 3.954 4.053 899 HA ALA 25 HA ALA 25 12.758 5.659 5.127 900 1HB ALA 25 1HB ALA 25 13.246 2.693 5.167 901 2HB ALA 25 2HB ALA 25 11.943 3.590 4.388 902 3HB ALA 25 3HB ALA 25 11.964 3.410 6.142 903 H THR 26 H THR 26 15.472 3.857 6.294 904 HA THR 26 HA THR 26 15.030 4.118 9.065 905 HB THR 26 HB THR 26 17.726 3.947 7.737 906 HG1 THR 26 1HG THR 26 16.974 1.531 8.169 907 1HG2 THR 26 1HG2 THR 26 18.515 3.248 9.679 908 2HG2 THR 26 2HG2 THR 26 17.148 2.163 9.941 909 3HG2 THR 26 3HG2 THR 26 17.021 3.866 10.381 910 H GLN 27 H GLN 27 16.850 6.010 6.694 911 HA GLN 27 HA GLN 27 18.042 7.865 8.355 912 1HB GLN 27 2HB GLN 27 16.882 8.246 5.592 913 2HB GLN 27 1HB GLN 27 17.899 9.432 6.401 914 1HG GLN 27 2HG GLN 27 18.880 6.638 6.058 915 2HG GLN 27 1HG GLN 27 18.926 7.759 4.698 916 1HE2 GLN 27 1HE2 GLN 27 19.748 10.038 5.507 917 2HE2 GLN 27 2HE2 GLN 27 21.242 9.971 6.372 918 H ALA 28 H ALA 28 14.839 7.969 6.852 919 HA ALA 28 HA ALA 28 14.078 10.385 8.207 920 1HB ALA 28 1HB ALA 28 11.957 10.130 7.161 921 2HB ALA 28 2HB ALA 28 12.241 8.416 6.857 922 3HB ALA 28 3HB ALA 28 13.173 9.633 5.984 923 H LEU 29 H LEU 29 14.204 7.100 9.047 924 HA LEU 29 HA LEU 29 12.065 7.148 10.972 925 1HB LEU 29 2HB LEU 29 14.166 5.169 10.198 926 2HB LEU 29 1HB LEU 29 13.215 4.935 11.653 927 HG LEU 29 HG LEU 29 11.733 5.486 9.146 928 1HD1 LEU 29 1HD1 LEU 29 12.402 3.709 8.016 929 2HD1 LEU 29 2HD1 LEU 29 12.181 2.669 9.423 930 3HD1 LEU 29 3HD1 LEU 29 13.709 3.518 9.184 931 1HD2 LEU 29 1HD2 LEU 29 11.229 4.483 11.777 932 2HD2 LEU 29 2HD2 LEU 29 10.750 3.277 10.582 933 3HD2 LEU 29 3HD2 LEU 29 10.080 4.907 10.508 934 H GLU 30 H GLU 30 15.549 7.533 10.966 935 HA GLU 30 HA GLU 30 15.724 7.524 13.853 936 1HB GLU 30 2HB GLU 30 17.558 7.310 11.637 937 2HB GLU 30 1HB GLU 30 18.119 8.522 12.782 938 1HG GLU 30 2HG GLU 30 17.550 6.633 14.528 939 2HG GLU 30 1HG GLU 30 17.786 5.594 13.124 940 H LYS 31 H LYS 31 15.663 9.881 11.251 941 HA LYS 31 HA LYS 31 16.369 12.086 12.960 942 1HB LYS 31 2HB LYS 31 15.537 11.776 10.109 943 2HB LYS 31 1HB LYS 31 15.398 13.361 10.857 944 1HG LYS 31 2HG LYS 31 17.507 13.646 10.201 945 2HG LYS 31 1HG LYS 31 17.921 12.620 11.576 946 1HD LYS 31 2HD LYS 31 17.462 10.693 9.834 947 2HD LYS 31 1HD LYS 31 17.832 11.969 8.672 948 1HE LYS 31 2HE LYS 31 19.890 10.932 9.079 949 2HE LYS 31 1HE LYS 31 19.926 12.392 10.068 950 1HZ LYS 31 1HZ LYS 31 20.696 10.267 11.158 951 2HZ LYS 31 2HZ LYS 31 19.080 9.771 11.155 952 3HZ LYS 31 3HZ LYS 31 19.535 11.159 12.008 953 H TYR 32 H TYR 32 13.460 10.515 11.899 954 HA TYR 32 HA TYR 32 11.921 12.101 13.776 955 1HB TYR 32 2HB TYR 32 10.422 11.827 11.297 956 2HB TYR 32 1HB TYR 32 10.659 13.246 12.311 957 HD1 TYR 32 1HD TYR 32 11.494 15.050 11.158 958 HD2 TYR 32 2HD TYR 32 12.847 11.158 10.093 959 HE1 TYR 32 1HE TYR 32 12.953 16.032 9.441 960 HE2 TYR 32 2HE TYR 32 14.311 12.131 8.373 961 HH TYR 32 HH TYR 32 14.937 13.988 7.322 962 H ASN 33 H ASN 33 9.946 11.112 14.403 963 HA ASN 33 HA ASN 33 9.769 8.267 13.651 964 1HB ASN 33 2HB ASN 33 9.236 9.651 16.279 965 2HB ASN 33 1HB ASN 33 8.652 8.025 15.939 966 1HD2 ASN 33 1HD2 ASN 33 11.550 10.011 16.151 967 2HD2 ASN 33 2HD2 ASN 33 12.625 8.722 16.560 968 H ILE 34 H ILE 34 8.463 10.514 12.323 969 HA ILE 34 HA ILE 34 5.642 9.978 12.970 970 HB ILE 34 HB ILE 34 6.367 12.169 11.112 971 1HG1 ILE 34 2HG1 ILE 34 8.038 12.537 12.794 972 2HG1 ILE 34 1HG1 ILE 34 6.745 13.705 13.050 973 1HG2 ILE 34 1HG2 ILE 34 4.355 11.871 13.335 974 2HG2 ILE 34 2HG2 ILE 34 4.046 11.727 11.605 975 3HG2 ILE 34 3HG2 ILE 34 4.507 13.284 12.291 976 1HD1 ILE 34 1HD1 ILE 34 6.268 11.304 14.555 977 2HD1 ILE 34 2HD1 ILE 34 6.410 12.974 15.107 978 3HD1 ILE 34 3HD1 ILE 34 7.856 11.982 14.918 979 H GLU 35 H GLU 35 4.932 8.337 11.740 980 HA GLU 35 HA GLU 35 5.804 7.181 9.524 981 1HB GLU 35 2HB GLU 35 2.927 7.954 10.025 982 2HB GLU 35 1HB GLU 35 3.438 6.782 8.819 983 1HG GLU 35 2HG GLU 35 3.496 6.578 11.794 984 2HG GLU 35 1HG GLU 35 2.828 5.458 10.608 985 H LYS 36 H LYS 36 3.349 9.733 9.095 986 HA LYS 36 HA LYS 36 3.645 10.153 6.414 987 1HB LYS 36 2HB LYS 36 3.352 12.574 8.130 988 2HB LYS 36 1HB LYS 36 2.461 12.111 6.687 989 1HG LYS 36 2HG LYS 36 1.616 10.179 8.303 990 2HG LYS 36 1HG LYS 36 1.992 11.400 9.520 991 1HD LYS 36 2HD LYS 36 0.231 11.861 7.114 992 2HD LYS 36 1HD LYS 36 -0.361 11.478 8.730 993 1HE LYS 36 2HE LYS 36 1.093 13.940 7.808 994 2HE LYS 36 1HE LYS 36 -0.507 13.822 8.538 995 1HZ LYS 36 1HZ LYS 36 2.125 13.484 9.847 996 2HZ LYS 36 2HZ LYS 36 0.690 12.959 10.569 997 3HZ LYS 36 3HZ LYS 36 0.907 14.599 10.217 998 H ASP 37 H ASP 37 5.289 12.115 8.904 999 HA ASP 37 HA ASP 37 6.930 13.623 7.342 1000 1HB ASP 37 2HB ASP 37 7.222 12.466 10.077 1001 2HB ASP 37 1HB ASP 37 8.634 13.223 9.346 1002 H ILE 38 H ILE 38 7.999 10.554 8.817 1003 HA ILE 38 HA ILE 38 10.397 10.212 7.597 1004 HB ILE 38 HB ILE 38 8.465 7.916 7.838 1005 1HG1 ILE 38 2HG1 ILE 38 10.198 8.697 10.132 1006 2HG1 ILE 38 1HG1 ILE 38 8.726 9.627 9.867 1007 1HG2 ILE 38 1HG2 ILE 38 10.872 7.771 6.858 1008 2HG2 ILE 38 2HG2 ILE 38 10.315 6.552 8.005 1009 3HG2 ILE 38 3HG2 ILE 38 11.363 7.862 8.550 1010 1HD1 ILE 38 1HD1 ILE 38 7.356 7.791 10.258 1011 2HD1 ILE 38 2HD1 ILE 38 8.635 7.632 11.462 1012 3HD1 ILE 38 3HD1 ILE 38 8.666 6.638 10.004 1013 H ALA 39 H ALA 39 7.327 8.954 6.283 1014 HA ALA 39 HA ALA 39 8.228 7.946 3.896 1015 1HB ALA 39 1HB ALA 39 5.811 8.147 4.996 1016 2HB ALA 39 2HB ALA 39 6.047 7.786 3.286 1017 3HB ALA 39 3HB ALA 39 5.667 9.431 3.795 1018 H ALA 40 H ALA 40 7.394 11.300 4.653 1019 HA ALA 40 HA ALA 40 7.619 12.363 2.072 1020 1HB ALA 40 1HB ALA 40 8.182 14.518 3.352 1021 2HB ALA 40 2HB ALA 40 7.936 13.551 4.806 1022 3HB ALA 40 3HB ALA 40 6.619 13.759 3.651 1023 H HIS 41 H HIS 41 10.022 12.650 4.689 1024 HA HIS 41 HA HIS 41 12.121 13.658 3.262 1025 1HB HIS 41 2HB HIS 41 12.819 11.546 5.224 1026 2HB HIS 41 1HB HIS 41 13.401 13.204 5.098 1027 HD1 HIS 41 1HD HIS 41 12.023 11.477 7.598 1028 HD2 HIS 41 2HD HIS 41 10.558 14.766 5.526 1029 HE1 HIS 41 1HE HIS 41 10.347 12.551 9.137 1030 HE2 HIS 41 2HE HIS 41 9.451 14.523 7.850 1031 H ILE 42 H ILE 42 11.115 10.282 3.499 1032 HA ILE 42 HA ILE 42 13.301 9.098 2.220 1033 HB ILE 42 HB ILE 42 10.408 8.223 2.164 1034 1HG1 ILE 42 2HG1 ILE 42 12.646 7.215 3.927 1035 2HG1 ILE 42 1HG1 ILE 42 11.533 8.482 4.427 1036 1HG2 ILE 42 1HG2 ILE 42 12.939 6.742 1.472 1037 2HG2 ILE 42 2HG2 ILE 42 11.601 7.136 0.393 1038 3HG2 ILE 42 3HG2 ILE 42 11.367 5.975 1.700 1039 1HD1 ILE 42 1HD1 ILE 42 11.056 5.575 4.044 1040 2HD1 ILE 42 2HD1 ILE 42 9.720 6.698 3.780 1041 3HD1 ILE 42 3HD1 ILE 42 10.534 6.647 5.344 1042 H LYS 43 H LYS 43 10.128 9.871 0.776 1043 HA LYS 43 HA LYS 43 10.660 9.325 -1.847 1044 1HB LYS 43 2HB LYS 43 8.458 10.029 -1.026 1045 2HB LYS 43 1HB LYS 43 9.059 11.664 -0.795 1046 1HG LYS 43 2HG LYS 43 9.266 10.443 -3.497 1047 2HG LYS 43 1HG LYS 43 7.691 11.000 -2.933 1048 1HD LYS 43 2HD LYS 43 9.799 12.932 -2.413 1049 2HD LYS 43 1HD LYS 43 9.645 12.549 -4.129 1050 1HE LYS 43 2HE LYS 43 7.379 13.210 -4.174 1051 2HE LYS 43 1HE LYS 43 7.275 13.241 -2.416 1052 1HZ LYS 43 1HZ LYS 43 9.307 14.994 -3.298 1053 2HZ LYS 43 2HZ LYS 43 7.912 15.347 -2.410 1054 3HZ LYS 43 3HZ LYS 43 7.862 15.353 -4.101 1055 H LYS 44 H LYS 44 11.117 12.505 -0.305 1056 HA LYS 44 HA LYS 44 12.244 13.839 -2.451 1057 1HB LYS 44 2HB LYS 44 12.475 14.137 0.518 1058 2HB LYS 44 1HB LYS 44 13.498 15.114 -0.526 1059 1HG LYS 44 2HG LYS 44 10.786 15.212 -1.450 1060 2HG LYS 44 1HG LYS 44 10.863 15.628 0.263 1061 1HD LYS 44 2HD LYS 44 11.111 17.617 -1.123 1062 2HD LYS 44 1HD LYS 44 12.595 17.292 -0.224 1063 1HE LYS 44 2HE LYS 44 13.682 17.401 -2.159 1064 2HE LYS 44 1HE LYS 44 12.893 15.889 -2.605 1065 1HZ LYS 44 1HZ LYS 44 12.212 17.166 -4.327 1066 2HZ LYS 44 2HZ LYS 44 12.306 18.615 -3.459 1067 3HZ LYS 44 3HZ LYS 44 10.981 17.586 -3.245 1068 H GLU 45 H GLU 45 13.739 11.661 -0.138 1069 HA GLU 45 HA GLU 45 16.420 12.188 -0.976 1070 1HB GLU 45 2HB GLU 45 15.069 10.419 0.938 1071 2HB GLU 45 1HB GLU 45 16.517 9.724 0.221 1072 1HG GLU 45 2HG GLU 45 16.319 12.326 1.718 1073 2HG GLU 45 1HG GLU 45 17.073 10.835 2.280 1074 H PHE 46 H PHE 46 14.014 9.707 -1.743 1075 HA PHE 46 HA PHE 46 15.771 8.141 -3.345 1076 1HB PHE 46 2HB PHE 46 12.975 8.073 -2.559 1077 2HB PHE 46 1HB PHE 46 13.182 7.636 -4.253 1078 HD1 PHE 46 1HD PHE 46 13.972 5.514 -4.855 1079 HD2 PHE 46 2HD PHE 46 14.319 6.832 -0.824 1080 HE1 PHE 46 1HE PHE 46 14.665 3.251 -4.179 1081 HE2 PHE 46 2HE PHE 46 15.013 4.573 -0.140 1082 HZ PHE 46 HZ PHE 46 15.187 2.778 -1.817 1083 H ASP 47 H ASP 47 13.587 10.815 -3.974 1084 HA ASP 47 HA ASP 47 13.769 10.626 -6.825 1085 1HB ASP 47 2HB ASP 47 12.946 12.990 -5.122 1086 2HB ASP 47 1HB ASP 47 12.637 12.790 -6.843 1087 H LYS 48 H LYS 48 15.528 12.219 -4.278 1088 HA LYS 48 HA LYS 48 17.108 13.775 -6.156 1089 1HB LYS 48 2HB LYS 48 17.067 15.161 -4.388 1090 2HB LYS 48 1HB LYS 48 16.492 13.892 -3.321 1091 1HG LYS 48 2HG LYS 48 18.441 14.048 -2.276 1092 2HG LYS 48 1HG LYS 48 19.170 13.291 -3.694 1093 1HD LYS 48 2HD LYS 48 18.731 16.144 -4.050 1094 2HD LYS 48 1HD LYS 48 19.779 15.787 -2.676 1095 1HE LYS 48 2HE LYS 48 20.230 14.457 -5.319 1096 2HE LYS 48 1HE LYS 48 20.825 16.090 -5.029 1097 1HZ LYS 48 1HZ LYS 48 21.434 13.905 -3.141 1098 2HZ LYS 48 2HZ LYS 48 22.262 15.361 -3.382 1099 3HZ LYS 48 3HZ LYS 48 22.367 14.128 -4.534 1100 H LYS 49 H LYS 49 17.267 10.813 -4.402 1101 HA LYS 49 HA LYS 49 20.143 10.560 -4.731 1102 1HB LYS 49 2HB LYS 49 18.029 9.093 -3.254 1103 2HB LYS 49 1HB LYS 49 19.421 8.157 -3.782 1104 1HG LYS 49 2HG LYS 49 20.355 10.573 -2.608 1105 2HG LYS 49 1HG LYS 49 19.180 9.829 -1.519 1106 1HD LYS 49 2HD LYS 49 21.476 9.057 -1.081 1107 2HD LYS 49 1HD LYS 49 20.413 7.739 -1.577 1108 1HE LYS 49 2HE LYS 49 21.619 7.320 -3.410 1109 2HE LYS 49 1HE LYS 49 21.735 9.029 -3.824 1110 1HZ LYS 49 1HZ LYS 49 23.879 8.765 -3.311 1111 2HZ LYS 49 2HZ LYS 49 23.617 7.338 -2.442 1112 3HZ LYS 49 3HZ LYS 49 23.374 8.838 -1.697 1113 H TYR 50 H TYR 50 17.185 9.397 -6.179 1114 HA TYR 50 HA TYR 50 18.809 7.894 -8.121 1115 1HB TYR 50 2HB TYR 50 15.985 7.179 -7.335 1116 2HB TYR 50 1HB TYR 50 17.108 6.226 -8.300 1117 HD1 TYR 50 1HD TYR 50 15.834 6.835 -5.031 1118 HD2 TYR 50 2HD TYR 50 19.258 5.413 -7.122 1119 HE1 TYR 50 1HE TYR 50 16.598 5.688 -2.995 1120 HE2 TYR 50 2HE TYR 50 20.027 4.261 -5.092 1121 HH TYR 50 HH TYR 50 18.416 3.377 -2.755 1122 H ASN 51 H ASN 51 15.523 9.255 -7.771 1123 HA ASN 51 HA ASN 51 15.429 11.223 -9.553 1124 1HB ASN 51 2HB ASN 51 16.276 10.219 -11.449 1125 2HB ASN 51 1HB ASN 51 15.642 8.633 -11.023 1126 1HD2 ASN 51 1HD2 ASN 51 14.998 11.657 -12.562 1127 2HD2 ASN 51 2HD2 ASN 51 13.498 11.206 -13.292 1128 HA PRO 52 HA PRO 52 11.336 10.633 -7.829 1129 1HB PRO 52 2HB PRO 52 10.251 12.870 -9.028 1130 2HB PRO 52 1HB PRO 52 11.132 12.874 -7.497 1131 1HG PRO 52 2HG PRO 52 12.109 13.535 -10.246 1132 2HG PRO 52 1HG PRO 52 12.450 14.352 -8.709 1133 1HD PRO 52 2HD PRO 52 14.234 12.696 -9.811 1134 2HD PRO 52 1HD PRO 52 13.990 12.736 -8.051 1135 H THR 53 H THR 53 8.860 9.894 -10.318 1136 HA THR 53 HA THR 53 9.509 11.076 -7.710 1137 HB THR 53 HB THR 53 7.733 12.206 -9.083 1138 HG1 THR 53 1HG THR 53 7.662 11.480 -6.505 1139 1HG2 THR 53 1HG2 THR 53 6.194 9.694 -8.494 1140 2HG2 THR 53 2HG2 THR 53 6.664 10.291 -10.085 1141 3HG2 THR 53 3HG2 THR 53 5.507 11.197 -9.109 1142 H TRP 54 H TRP 54 9.686 9.712 -6.082 1143 HA TRP 54 HA TRP 54 8.641 7.009 -6.362 1144 1HB TRP 54 2HB TRP 54 10.399 8.198 -4.211 1145 2HB TRP 54 1HB TRP 54 10.000 6.494 -4.394 1146 HD1 TRP 54 HD TRP 54 11.666 9.242 -6.584 1147 HE1 TRP 54 1HE TRP 54 13.619 8.150 -7.849 1148 HE3 TRP 54 3HE TRP 54 11.124 4.441 -4.919 1149 HZ2 TRP 54 2HZ TRP 54 14.784 5.586 -8.104 1150 HZ3 TRP 54 3HZ TRP 54 12.698 2.728 -5.722 1151 HH2 TRP 54 HH TRP 54 14.488 3.290 -7.283 1152 H HIS 55 H HIS 55 6.714 6.507 -5.604 1153 HA HIS 55 HA HIS 55 5.435 8.140 -3.569 1154 1HB HIS 55 2HB HIS 55 4.235 5.601 -4.610 1155 2HB HIS 55 1HB HIS 55 3.442 7.110 -4.169 1156 HD1 HIS 55 1HD HIS 55 2.646 5.894 -6.786 1157 HD2 HIS 55 2HD HIS 55 5.833 8.536 -6.430 1158 HE1 HIS 55 1HE HIS 55 2.973 6.866 -9.082 1159 HE2 HIS 55 2HE HIS 55 4.941 8.423 -8.856 1160 H CYS 56 H CYS 56 6.651 7.732 -1.730 1161 HA CYS 56 HA CYS 56 6.892 4.941 -0.874 1162 1HB CYS 56 2HB CYS 56 8.449 5.954 0.866 1163 2HB CYS 56 1HB CYS 56 8.983 6.019 -0.809 1164 HG CYS 56 HG CYS 56 7.694 8.606 -0.290 1165 H ILE 57 H ILE 57 6.360 4.249 1.176 1166 HA ILE 57 HA ILE 57 4.579 5.983 2.748 1167 HB ILE 57 HB ILE 57 4.075 3.036 2.341 1168 1HG1 ILE 57 2HG1 ILE 57 3.825 4.349 0.212 1169 2HG1 ILE 57 1HG1 ILE 57 2.343 3.578 0.768 1170 1HG2 ILE 57 1HG2 ILE 57 3.236 4.539 4.366 1171 2HG2 ILE 57 2HG2 ILE 57 2.229 3.275 3.657 1172 3HG2 ILE 57 3HG2 ILE 57 1.982 4.960 3.198 1173 1HD1 ILE 57 1HD1 ILE 57 1.945 5.901 1.905 1174 2HD1 ILE 57 2HD1 ILE 57 1.560 5.640 0.206 1175 3HD1 ILE 57 3HD1 ILE 57 3.058 6.455 0.657 1176 H VAL 58 H VAL 58 4.399 5.292 5.018 1177 HA VAL 58 HA VAL 58 6.240 3.340 6.027 1178 HB VAL 58 HB VAL 58 7.903 4.992 5.717 1179 1HG1 VAL 58 1HG1 VAL 58 5.903 6.801 5.718 1180 2HG1 VAL 58 2HG1 VAL 58 7.612 7.219 5.837 1181 3HG1 VAL 58 3HG1 VAL 58 6.626 7.118 7.295 1182 1HG2 VAL 58 1HG2 VAL 58 7.578 3.883 8.060 1183 2HG2 VAL 58 2HG2 VAL 58 7.197 5.528 8.570 1184 3HG2 VAL 58 3HG2 VAL 58 8.766 5.169 7.848 1185 H GLY 59 H GLY 59 4.899 2.411 7.427 1186 1HA GLY 59 2HA GLY 59 3.567 4.158 9.398 1187 2HA GLY 59 1HA GLY 59 2.721 2.810 8.651 1188 H ARG 60 H ARG 60 2.420 1.382 10.260 1189 HA ARG 60 HA ARG 60 4.669 0.004 11.319 1190 1HB ARG 60 2HB ARG 60 3.876 0.522 13.735 1191 2HB ARG 60 1HB ARG 60 4.926 1.659 12.901 1192 1HG ARG 60 2HG ARG 60 2.704 2.791 12.194 1193 2HG ARG 60 1HG ARG 60 2.026 1.893 13.554 1194 1HD ARG 60 2HD ARG 60 4.340 2.995 14.585 1195 2HD ARG 60 1HD ARG 60 3.709 4.264 13.535 1196 HE ARG 60 HE ARG 60 1.642 4.160 14.818 1197 1HH1 ARG 60 1HH1 ARG 60 4.465 2.659 16.198 1198 2HH1 ARG 60 2HH1 ARG 60 3.878 2.746 17.825 1199 1HH2 ARG 60 1HH2 ARG 60 0.857 4.280 16.959 1200 2HH2 ARG 60 2HH2 ARG 60 1.825 3.667 18.257 1201 H ASN 61 H ASN 61 1.409 0.315 10.599 1202 HA ASN 61 HA ASN 61 0.893 -2.434 11.047 1203 1HB ASN 61 2HB ASN 61 0.448 -0.768 13.287 1204 2HB ASN 61 1HB ASN 61 -1.138 -1.193 12.651 1205 1HD2 ASN 61 1HD2 ASN 61 0.855 -2.035 14.944 1206 2HD2 ASN 61 2HD2 ASN 61 0.638 -3.748 14.990 1207 H PHE 62 H PHE 62 0.673 -0.525 8.906 1208 HA PHE 62 HA PHE 62 -2.228 -0.352 8.503 1209 1HB PHE 62 2HB PHE 62 -1.831 1.344 6.922 1210 2HB PHE 62 1HB PHE 62 -0.672 1.671 8.206 1211 HD1 PHE 62 1HD PHE 62 1.699 1.304 7.867 1212 HD2 PHE 62 2HD PHE 62 -1.115 0.560 4.765 1213 HE1 PHE 62 1HE PHE 62 3.532 1.231 6.226 1214 HE2 PHE 62 2HE PHE 62 0.709 0.485 3.120 1215 HZ PHE 62 HZ PHE 62 3.039 0.821 3.848 1216 H GLY 63 H GLY 63 -2.375 -0.319 5.780 1217 1HA GLY 63 2HA GLY 63 -1.128 -2.801 4.834 1218 2HA GLY 63 1HA GLY 63 -2.884 -2.705 4.842 1219 H SER 64 H SER 64 -0.050 -2.022 3.116 1220 HA SER 64 HA SER 64 -1.308 -0.038 1.408 1221 1HB SER 64 2HB SER 64 0.881 -0.022 0.219 1222 2HB SER 64 1HB SER 64 1.027 0.326 1.941 1223 HG SER 64 HG SER 64 1.237 -2.274 1.706 1224 H TYR 65 H TYR 65 -2.096 -0.363 -0.565 1225 HA TYR 65 HA TYR 65 -1.606 -2.876 -1.963 1226 1HB TYR 65 2HB TYR 65 -3.657 -3.179 -0.542 1227 2HB TYR 65 1HB TYR 65 -4.415 -1.874 -1.447 1228 HD1 TYR 65 1HD TYR 65 -5.362 -2.259 -3.587 1229 HD2 TYR 65 2HD TYR 65 -3.067 -5.307 -1.707 1230 HE1 TYR 65 1HE TYR 65 -6.149 -3.876 -5.264 1231 HE2 TYR 65 2HE TYR 65 -3.845 -6.933 -3.378 1232 HH TYR 65 HH TYR 65 -4.824 -7.104 -5.467 1233 H VAL 66 H VAL 66 -0.397 -1.367 -3.277 1234 HA VAL 66 HA VAL 66 -2.131 0.079 -5.165 1235 HB VAL 66 HB VAL 66 -0.621 1.909 -5.309 1236 1HG1 VAL 66 1HG1 VAL 66 -0.592 1.501 -2.361 1237 2HG1 VAL 66 2HG1 VAL 66 -2.145 1.557 -3.193 1238 3HG1 VAL 66 3HG1 VAL 66 -1.038 2.926 -3.298 1239 1HG2 VAL 66 1HG2 VAL 66 1.538 1.987 -4.519 1240 2HG2 VAL 66 2HG2 VAL 66 1.394 0.276 -4.923 1241 3HG2 VAL 66 3HG2 VAL 66 1.231 0.803 -3.248 1242 H THR 67 H THR 67 -0.988 0.578 -7.239 1243 HA THR 67 HA THR 67 0.239 -1.829 -8.235 1244 HB THR 67 HB THR 67 -1.450 -0.264 -9.438 1245 HG1 THR 67 1HG THR 67 -0.510 -0.878 -11.447 1246 1HG2 THR 67 1HG2 THR 67 -0.696 1.524 -10.657 1247 2HG2 THR 67 2HG2 THR 67 0.989 1.010 -10.571 1248 3HG2 THR 67 3HG2 THR 67 0.207 1.712 -9.154 1249 H HIS 68 H HIS 68 2.183 -1.573 -9.760 1250 HA HIS 68 HA HIS 68 4.136 0.296 -8.608 1251 1HB HIS 68 2HB HIS 68 5.838 -1.598 -8.985 1252 2HB HIS 68 1HB HIS 68 4.769 -1.716 -7.593 1253 HD1 HIS 68 1HD HIS 68 2.301 -2.984 -8.700 1254 HD2 HIS 68 2HD HIS 68 6.114 -4.122 -9.898 1255 HE1 HIS 68 1HE HIS 68 2.055 -5.321 -9.595 1256 HE2 HIS 68 2HE HIS 68 4.357 -5.953 -10.399 1257 H GLU 69 H GLU 69 5.906 0.857 -9.988 1258 HA GLU 69 HA GLU 69 5.645 0.150 -12.809 1259 1HB GLU 69 2HB GLU 69 6.106 3.026 -12.324 1260 2HB GLU 69 1HB GLU 69 5.184 2.231 -13.591 1261 1HG GLU 69 2HG GLU 69 3.911 1.896 -11.030 1262 2HG GLU 69 1HG GLU 69 4.192 3.600 -11.382 1263 H THR 70 H THR 70 7.510 1.165 -14.088 1264 HA THR 70 HA THR 70 9.763 1.007 -14.454 1265 HB THR 70 HB THR 70 10.246 2.586 -11.971 1266 HG1 THR 70 1HG THR 70 8.621 3.402 -14.129 1267 1HG2 THR 70 1HG2 THR 70 11.053 3.906 -14.331 1268 2HG2 THR 70 2HG2 THR 70 11.548 2.218 -14.462 1269 3HG2 THR 70 3HG2 THR 70 12.059 3.183 -13.076 1270 H LYS 71 H LYS 71 10.473 1.457 -11.087 1271 HA LYS 71 HA LYS 71 11.784 -1.146 -11.038 1272 1HB LYS 71 2HB LYS 71 11.866 1.138 -9.057 1273 2HB LYS 71 1HB LYS 71 12.827 -0.331 -8.953 1274 1HG LYS 71 2HG LYS 71 13.158 0.920 -11.524 1275 2HG LYS 71 1HG LYS 71 13.511 2.053 -10.217 1276 1HD LYS 71 2HD LYS 71 15.061 0.442 -9.232 1277 2HD LYS 71 1HD LYS 71 14.697 -0.705 -10.522 1278 1HE LYS 71 2HE LYS 71 15.390 1.648 -11.837 1279 2HE LYS 71 1HE LYS 71 16.532 1.529 -10.499 1280 1HZ LYS 71 1HZ LYS 71 17.655 0.114 -11.764 1281 2HZ LYS 71 2HZ LYS 71 16.409 0.007 -12.903 1282 3HZ LYS 71 3HZ LYS 71 16.401 -1.002 -11.544 1283 H HIS 72 H HIS 72 8.921 -1.107 -10.952 1284 HA HIS 72 HA HIS 72 7.151 -1.947 -9.788 1285 1HB HIS 72 2HB HIS 72 9.329 -3.482 -8.357 1286 2HB HIS 72 1HB HIS 72 7.625 -3.920 -8.432 1287 HD1 HIS 72 1HD HIS 72 7.219 -5.723 -10.058 1288 HD2 HIS 72 2HD HIS 72 10.354 -3.269 -11.247 1289 HE1 HIS 72 1HE HIS 72 8.028 -6.675 -12.240 1290 HE2 HIS 72 2HE HIS 72 9.873 -5.128 -12.980 1291 H PHE 73 H PHE 73 9.349 -2.286 -7.054 1292 HA PHE 73 HA PHE 73 9.001 0.012 -5.658 1293 1HB PHE 73 2HB PHE 73 7.052 -0.347 -4.214 1294 2HB PHE 73 1HB PHE 73 6.574 -0.259 -5.904 1295 HD1 PHE 73 1HD PHE 73 4.700 -1.550 -6.189 1296 HD2 PHE 73 2HD PHE 73 7.902 -3.071 -3.835 1297 HE1 PHE 73 1HE PHE 73 3.509 -3.689 -5.958 1298 HE2 PHE 73 2HE PHE 73 6.718 -5.212 -3.600 1299 HZ PHE 73 HZ PHE 73 4.518 -5.525 -4.664 1300 H ILE 74 H ILE 74 8.472 -0.775 -3.063 1301 HA ILE 74 HA ILE 74 9.794 -3.240 -2.450 1302 HB ILE 74 HB ILE 74 11.717 -1.738 -3.012 1303 1HG1 ILE 74 2HG1 ILE 74 11.274 -3.207 -0.476 1304 2HG1 ILE 74 1HG1 ILE 74 12.481 -3.462 -1.725 1305 1HG2 ILE 74 1HG2 ILE 74 10.919 0.376 -2.278 1306 2HG2 ILE 74 2HG2 ILE 74 12.296 -0.031 -1.254 1307 3HG2 ILE 74 3HG2 ILE 74 10.654 -0.219 -0.638 1308 1HD1 ILE 74 1HD1 ILE 74 13.471 -1.230 -0.689 1309 2HD1 ILE 74 2HD1 ILE 74 13.830 -2.823 -0.024 1310 3HD1 ILE 74 3HD1 ILE 74 12.596 -1.812 0.728 1311 H TYR 75 H TYR 75 8.927 -3.977 -0.658 1312 HA TYR 75 HA TYR 75 7.851 -2.054 1.295 1313 1HB TYR 75 2HB TYR 75 6.931 -4.876 0.692 1314 2HB TYR 75 1HB TYR 75 6.278 -3.852 1.966 1315 HD1 TYR 75 1HD TYR 75 4.033 -3.706 1.228 1316 HD2 TYR 75 2HD TYR 75 7.202 -2.721 -1.435 1317 HE1 TYR 75 1HE TYR 75 2.402 -2.777 -0.360 1318 HE2 TYR 75 2HE TYR 75 5.580 -1.789 -3.030 1319 HH TYR 75 HH TYR 75 2.712 -0.833 -2.389 1320 H PHE 76 H PHE 76 8.242 -2.436 3.493 1321 HA PHE 76 HA PHE 76 9.582 -4.740 4.458 1322 1HB PHE 76 2HB PHE 76 11.704 -3.378 5.110 1323 2HB PHE 76 1HB PHE 76 11.585 -4.061 3.491 1324 HD1 PHE 76 1HD PHE 76 10.675 -2.513 1.646 1325 HD2 PHE 76 2HD PHE 76 12.137 -1.125 5.393 1326 HE1 PHE 76 1HE PHE 76 11.018 -0.277 0.678 1327 HE2 PHE 76 2HE PHE 76 12.480 1.114 4.434 1328 HZ PHE 76 HZ PHE 76 11.920 1.541 2.074 1329 H TYR 77 H TYR 77 9.830 -4.744 6.704 1330 HA TYR 77 HA TYR 77 8.556 -2.457 8.063 1331 1HB TYR 77 2HB TYR 77 7.065 -4.168 8.475 1332 2HB TYR 77 1HB TYR 77 8.312 -5.408 8.440 1333 HD1 TYR 77 1HD TYR 77 9.705 -5.819 10.437 1334 HD2 TYR 77 2HD TYR 77 6.472 -3.054 10.516 1335 HE1 TYR 77 1HE TYR 77 9.747 -5.851 12.895 1336 HE2 TYR 77 2HE TYR 77 6.506 -3.078 12.976 1337 HH TYR 77 HH TYR 77 7.281 -4.260 14.799 1338 H LEU 78 H LEU 78 10.009 -1.261 9.091 1339 HA LEU 78 HA LEU 78 12.586 -2.193 9.836 1340 1HB LEU 78 2HB LEU 78 11.023 0.317 10.335 1341 2HB LEU 78 1HB LEU 78 12.540 0.048 11.170 1342 HG LEU 78 HG LEU 78 12.628 1.450 9.055 1343 1HD1 LEU 78 1HD1 LEU 78 14.383 -0.645 9.988 1344 2HD1 LEU 78 2HD1 LEU 78 14.768 0.974 9.404 1345 3HD1 LEU 78 3HD1 LEU 78 14.580 -0.355 8.259 1346 1HD2 LEU 78 1HD2 LEU 78 11.984 -1.236 7.885 1347 2HD2 LEU 78 2HD2 LEU 78 12.892 -0.027 6.977 1348 3HD2 LEU 78 3HD2 LEU 78 11.257 0.332 7.533 1349 H GLY 79 H GLY 79 13.401 -1.847 12.144 1350 1HA GLY 79 2HA GLY 79 12.749 -3.684 13.894 1351 2HA GLY 79 1HA GLY 79 13.117 -2.065 14.469 1352 H GLN 80 H GLN 80 10.826 -0.721 13.600 1353 HA GLN 80 HA GLN 80 8.511 -2.120 14.633 1354 1HB GLN 80 2HB GLN 80 10.000 -0.891 16.510 1355 2HB GLN 80 1HB GLN 80 9.008 0.467 15.999 1356 1HG GLN 80 2HG GLN 80 8.115 -2.141 17.185 1357 2HG GLN 80 1HG GLN 80 7.909 -0.515 17.835 1358 1HE2 GLN 80 1HE2 GLN 80 7.116 -2.389 14.926 1359 2HE2 GLN 80 2HE2 GLN 80 5.518 -1.757 14.747 1360 H VAL 81 H VAL 81 9.099 -1.089 12.097 1361 HA VAL 81 HA VAL 81 6.859 0.708 11.746 1362 HB VAL 81 HB VAL 81 9.665 1.560 11.022 1363 1HG1 VAL 81 1HG1 VAL 81 8.011 3.646 10.356 1364 2HG1 VAL 81 2HG1 VAL 81 7.100 2.237 9.811 1365 3HG1 VAL 81 3HG1 VAL 81 8.740 2.508 9.221 1366 1HG2 VAL 81 1HG2 VAL 81 8.826 1.967 13.359 1367 2HG2 VAL 81 2HG2 VAL 81 7.600 3.022 12.654 1368 3HG2 VAL 81 3HG2 VAL 81 9.311 3.410 12.468 1369 H ALA 82 H ALA 82 6.537 1.186 9.360 1370 HA ALA 82 HA ALA 82 7.547 -1.022 7.696 1371 1HB ALA 82 1HB ALA 82 4.932 -0.788 8.600 1372 2HB ALA 82 2HB ALA 82 5.504 -1.807 7.280 1373 3HB ALA 82 3HB ALA 82 4.879 -0.193 6.942 1374 H ILE 83 H ILE 83 7.504 -0.580 5.375 1375 HA ILE 83 HA ILE 83 7.162 2.208 4.604 1376 HB ILE 83 HB ILE 83 9.696 1.127 3.606 1377 1HG1 ILE 83 2HG1 ILE 83 9.596 0.361 6.044 1378 2HG1 ILE 83 1HG1 ILE 83 10.987 1.334 5.578 1379 1HG2 ILE 83 1HG2 ILE 83 8.986 3.758 4.890 1380 2HG2 ILE 83 2HG2 ILE 83 8.848 3.398 3.169 1381 3HG2 ILE 83 3HG2 ILE 83 10.432 3.400 3.945 1382 1HD1 ILE 83 1HD1 ILE 83 8.752 1.966 7.402 1383 2HD1 ILE 83 2HD1 ILE 83 9.411 3.290 6.440 1384 3HD1 ILE 83 3HD1 ILE 83 10.463 2.371 7.518 1385 H LEU 84 H LEU 84 6.408 2.415 2.605 1386 HA LEU 84 HA LEU 84 6.677 0.144 0.751 1387 1HB LEU 84 2HB LEU 84 4.464 -0.121 0.956 1388 2HB LEU 84 1HB LEU 84 4.278 1.400 1.805 1389 HG LEU 84 HG LEU 84 4.363 2.524 -0.482 1390 1HD1 LEU 84 1HD1 LEU 84 3.323 0.378 -1.980 1391 2HD1 LEU 84 2HD1 LEU 84 4.832 -0.183 -1.259 1392 3HD1 LEU 84 3HD1 LEU 84 4.817 1.275 -2.254 1393 1HD2 LEU 84 1HD2 LEU 84 1.961 0.934 -0.681 1394 2HD2 LEU 84 2HD2 LEU 84 2.152 2.640 -0.274 1395 3HD2 LEU 84 3HD2 LEU 84 2.277 1.414 0.987 1396 H LEU 85 H LEU 85 8.197 0.904 -0.611 1397 HA LEU 85 HA LEU 85 7.945 3.637 -1.653 1398 1HB LEU 85 2HB LEU 85 10.162 1.825 -1.110 1399 2HB LEU 85 1HB LEU 85 10.260 2.543 -2.707 1400 HG LEU 85 HG LEU 85 10.050 4.793 -1.644 1401 1HD1 LEU 85 1HD1 LEU 85 10.471 3.280 0.924 1402 2HD1 LEU 85 2HD1 LEU 85 8.938 3.987 0.416 1403 3HD1 LEU 85 3HD1 LEU 85 10.328 5.027 0.727 1404 1HD2 LEU 85 1HD2 LEU 85 12.226 4.103 -2.263 1405 2HD2 LEU 85 2HD2 LEU 85 12.340 2.989 -0.900 1406 3HD2 LEU 85 3HD2 LEU 85 12.359 4.730 -0.620 1407 H PHE 86 H PHE 86 7.444 4.058 -3.718 1408 HA PHE 86 HA PHE 86 7.883 2.296 -5.874 1409 1HB PHE 86 2HB PHE 86 5.853 1.283 -6.270 1410 2HB PHE 86 1HB PHE 86 5.877 1.275 -4.511 1411 HD1 PHE 86 1HD PHE 86 4.651 3.162 -3.305 1412 HD2 PHE 86 2HD PHE 86 4.103 2.275 -7.430 1413 HE1 PHE 86 1HE PHE 86 2.499 4.357 -3.272 1414 HE2 PHE 86 2HE PHE 86 1.952 3.468 -7.406 1415 HZ PHE 86 HZ PHE 86 1.146 4.509 -5.325 1416 H LYS 87 H LYS 87 8.143 3.560 -7.559 1417 HA LYS 87 HA LYS 87 6.767 6.158 -7.631 1418 1HB LYS 87 2HB LYS 87 8.563 6.627 -9.419 1419 2HB LYS 87 1HB LYS 87 9.064 6.567 -7.735 1420 1HG LYS 87 2HG LYS 87 9.783 4.217 -8.093 1421 2HG LYS 87 1HG LYS 87 9.409 4.412 -9.807 1422 1HD LYS 87 2HD LYS 87 11.324 6.187 -8.305 1423 2HD LYS 87 1HD LYS 87 11.823 4.746 -9.193 1424 1HE LYS 87 2HE LYS 87 10.177 6.261 -10.918 1425 2HE LYS 87 1HE LYS 87 11.316 7.383 -10.173 1426 1HZ LYS 87 1HZ LYS 87 11.836 5.113 -11.951 1427 2HZ LYS 87 2HZ LYS 87 13.005 5.502 -10.791 1428 3HZ LYS 87 3HZ LYS 87 12.535 6.654 -11.936 1429 H SER 88 H SER 88 6.312 6.960 -9.912 1430 HA SER 88 HA SER 88 5.301 4.745 -11.567 1431 1HB SER 88 2HB SER 88 3.994 7.309 -10.741 1432 2HB SER 88 1HB SER 88 3.548 6.549 -12.268 1433 HG SER 88 HG SER 88 3.389 4.580 -10.746 1434 H GLY 89 H GLY 89 7.753 6.482 -11.573 1435 1HA GLY 89 2HA GLY 89 7.579 8.119 -13.920 1436 2HA GLY 89 1HA GLY 89 9.049 7.683 -13.064
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