NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
462074 | 2edf | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 7.383 38.160 3.905 2 HA2 GLY 1 1HA GLY 1 8.719 38.310 1.300 3 HA3 GLY 1 2HA GLY 1 9.726 38.264 2.740 4 H SER 2 H SER 2 8.604 36.403 0.338 5 HA SER 2 HA SER 2 8.216 34.011 1.991 6 HB2 SER 2 1HB SER 2 7.436 34.772 -0.788 7 HB3 SER 2 2HB SER 2 7.706 33.065 -0.438 8 HG SER 2 HG SER 2 6.128 34.521 1.342 9 H SER 3 H SER 3 10.190 33.261 2.542 10 HA SER 3 HA SER 3 12.385 33.251 0.670 11 HB2 SER 3 1HB SER 3 12.568 33.576 3.205 12 HB3 SER 3 2HB SER 3 12.320 31.834 3.333 13 HG SER 3 HG SER 3 14.557 33.192 2.690 14 H GLY 4 H GLY 4 13.651 31.197 0.336 15 HA2 GLY 4 1HA GLY 4 13.797 29.039 -0.440 16 HA3 GLY 4 2HA GLY 4 12.392 28.668 0.549 17 H SER 5 H SER 5 13.567 29.119 -2.597 18 HA SER 5 HA SER 5 11.581 30.025 -4.165 19 HB2 SER 5 1HB SER 5 13.436 27.697 -4.507 20 HB3 SER 5 2HB SER 5 12.202 28.004 -5.729 21 HG SER 5 HG SER 5 13.199 29.795 -6.315 22 H SER 6 H SER 6 9.590 29.429 -4.875 23 HA SER 6 HA SER 6 7.920 27.907 -3.293 24 HB2 SER 6 1HB SER 6 7.138 29.542 -4.979 25 HB3 SER 6 2HB SER 6 7.600 28.422 -6.261 26 HG SER 6 HG SER 6 5.963 27.117 -5.740 27 H GLY 7 H GLY 7 7.121 25.822 -3.349 28 HA2 GLY 7 1HA GLY 7 7.400 23.886 -5.266 29 HA3 GLY 7 2HA GLY 7 8.915 23.834 -4.377 30 HA PRO 8 HA PRO 8 5.265 22.555 -1.417 31 HB2 PRO 8 1HB PRO 8 3.105 21.540 -2.712 32 HB3 PRO 8 2HB PRO 8 3.251 23.248 -2.280 33 HG2 PRO 8 1HG PRO 8 3.766 21.909 -4.907 34 HG3 PRO 8 2HG PRO 8 2.931 23.437 -4.575 35 HD2 PRO 8 1HD PRO 8 5.497 23.337 -5.434 36 HD3 PRO 8 2HD PRO 8 4.901 24.612 -4.351 37 H ALA 9 H ALA 9 4.123 20.299 -1.109 38 HA ALA 9 HA ALA 9 5.756 18.254 -2.466 39 HB1 ALA 9 3HB ALA 9 4.889 17.497 0.200 40 HB2 ALA 9 1HB ALA 9 6.494 17.439 -0.528 41 HB3 ALA 9 2HB ALA 9 5.911 18.934 0.205 42 H ALA 10 H ALA 10 2.966 19.297 -2.906 43 HA ALA 10 HA ALA 10 1.036 17.479 -2.043 44 HB1 ALA 10 3HB ALA 10 -0.085 18.187 -4.301 45 HB2 ALA 10 1HB ALA 10 0.121 19.356 -2.996 46 HB3 ALA 10 2HB ALA 10 1.242 19.346 -4.358 47 H ILE 11 H ILE 11 -0.165 15.939 -3.501 48 HA ILE 11 HA ILE 11 1.777 14.133 -4.729 49 HB ILE 11 HB ILE 11 -1.121 13.660 -4.023 50 HG12 ILE 11 1HG1 ILE 11 1.347 12.581 -2.656 51 HG13 ILE 11 2HG1 ILE 11 0.497 14.022 -2.108 52 HG21 ILE 11 1HG2 ILE 11 -0.953 11.916 -5.397 53 HG22 ILE 11 2HG2 ILE 11 0.781 12.154 -5.603 54 HG23 ILE 11 3HG2 ILE 11 0.176 11.223 -4.233 55 HD11 ILE 11 3HD1 ILE 11 -1.040 11.504 -2.469 56 HD12 ILE 11 1HD1 ILE 11 0.005 11.678 -1.059 57 HD13 ILE 11 2HD1 ILE 11 -1.297 12.835 -1.341 58 H ILE 12 H ILE 12 2.050 14.150 -6.851 59 HA ILE 12 HA ILE 12 -0.003 15.320 -8.566 60 HB ILE 12 HB ILE 12 1.910 14.802 -10.324 61 HG12 ILE 12 1HG1 ILE 12 3.173 13.650 -8.333 62 HG13 ILE 12 2HG1 ILE 12 4.066 14.624 -9.495 63 HG21 ILE 12 1HG2 ILE 12 1.438 17.037 -8.461 64 HG22 ILE 12 2HG2 ILE 12 2.983 17.053 -9.312 65 HG23 ILE 12 3HG2 ILE 12 1.474 17.014 -10.224 66 HD11 ILE 12 3HD1 ILE 12 4.175 14.874 -6.779 67 HD12 ILE 12 1HD1 ILE 12 4.675 16.099 -7.945 68 HD13 ILE 12 2HD1 ILE 12 3.060 16.161 -7.238 69 H LYS 13 H LYS 13 1.677 12.282 -8.008 70 HA LYS 13 HA LYS 13 0.015 10.999 -10.067 71 HB2 LYS 13 1HB LYS 13 2.577 10.105 -8.739 72 HB3 LYS 13 2HB LYS 13 1.634 9.090 -9.822 73 HG2 LYS 13 1HG LYS 13 1.928 10.818 -11.590 74 HG3 LYS 13 2HG LYS 13 3.017 11.676 -10.497 75 HD2 LYS 13 1HD LYS 13 4.502 9.754 -10.432 76 HD3 LYS 13 2HD LYS 13 3.393 8.838 -11.455 77 HE2 LYS 13 1HE LYS 13 3.754 10.370 -13.286 78 HE3 LYS 13 2HE LYS 13 4.753 11.405 -12.266 79 HZ1 LYS 13 3HZ LYS 13 5.858 9.708 -13.860 80 HZ2 LYS 13 1HZ LYS 13 5.504 8.587 -12.643 81 HZ3 LYS 13 2HZ LYS 13 6.486 9.922 -12.304 82 HA PRO 14 HA PRO 14 -2.171 9.644 -6.318 83 HB2 PRO 14 1HB PRO 14 -4.488 9.093 -7.622 84 HB3 PRO 14 2HB PRO 14 -4.043 10.723 -7.102 85 HG2 PRO 14 1HG PRO 14 -3.795 9.465 -9.807 86 HG3 PRO 14 2HG PRO 14 -4.349 11.094 -9.377 87 HD2 PRO 14 1HD PRO 14 -1.849 10.599 -10.291 88 HD3 PRO 14 2HD PRO 14 -2.202 11.894 -9.130 89 H LEU 15 H LEU 15 -2.976 7.595 -5.660 90 HA LEU 15 HA LEU 15 -1.650 5.384 -6.827 91 HB2 LEU 15 1HB LEU 15 -3.963 5.204 -4.919 92 HB3 LEU 15 2HB LEU 15 -2.627 4.073 -5.124 93 HG LEU 15 HG LEU 15 -2.083 6.850 -4.159 94 HD11 LEU 15 1HD1 LEU 15 -3.810 6.231 -2.672 95 HD12 LEU 15 2HD1 LEU 15 -2.297 5.906 -1.828 96 HD13 LEU 15 3HD1 LEU 15 -3.210 4.578 -2.543 97 HD21 LEU 15 3HD2 LEU 15 -0.767 4.169 -4.040 98 HD22 LEU 15 1HD2 LEU 15 -0.387 5.395 -2.831 99 HD23 LEU 15 2HD2 LEU 15 -0.102 5.725 -4.540 100 H GLU 16 H GLU 16 -3.201 3.263 -6.988 101 HA GLU 16 HA GLU 16 -5.552 3.840 -8.602 102 HB2 GLU 16 1HB GLU 16 -3.232 2.234 -9.690 103 HB3 GLU 16 2HB GLU 16 -4.785 2.461 -10.481 104 HG2 GLU 16 1HG GLU 16 -4.373 4.755 -10.850 105 HG3 GLU 16 2HG GLU 16 -2.981 4.752 -9.768 106 H ASP 17 H ASP 17 -6.681 1.780 -9.240 107 HA ASP 17 HA ASP 17 -7.002 0.143 -6.938 108 HB2 ASP 17 1HB ASP 17 -8.519 -1.191 -8.519 109 HB3 ASP 17 2HB ASP 17 -8.954 0.488 -8.211 110 H GLN 18 H GLN 18 -5.865 -1.577 -6.360 111 HA GLN 18 HA GLN 18 -4.209 -2.917 -8.380 112 HB2 GLN 18 1HB GLN 18 -3.939 -2.449 -5.455 113 HB3 GLN 18 2HB GLN 18 -3.255 -3.933 -6.105 114 HG2 GLN 18 1HG GLN 18 -1.727 -1.910 -5.921 115 HG3 GLN 18 2HG GLN 18 -1.736 -2.789 -7.448 116 HE21 GLN 18 1HE2 GLN 18 -2.047 0.205 -5.972 117 HE22 GLN 18 2HE2 GLN 18 -2.633 1.102 -7.328 118 H TRP 19 H TRP 19 -4.295 -5.111 -8.701 119 HA TRP 19 HA TRP 19 -6.450 -6.548 -7.294 120 HB2 TRP 19 1HB TRP 19 -5.754 -6.464 -10.212 121 HB3 TRP 19 2HB TRP 19 -6.539 -7.887 -9.532 122 HD1 TRP 19 HD TRP 19 -9.036 -7.501 -8.479 123 HE1 TRP 19 1HE TRP 19 -10.856 -5.796 -9.115 124 HE3 TRP 19 3HE TRP 19 -6.148 -4.149 -11.040 125 HZ2 TRP 19 2HZ TRP 19 -11.042 -3.353 -10.517 126 HZ3 TRP 19 3HZ TRP 19 -7.224 -2.155 -11.998 127 HH2 TRP 19 HH TRP 19 -9.621 -1.767 -11.741 128 H VAL 20 H VAL 20 -5.457 -7.902 -5.936 129 HA VAL 20 HA VAL 20 -3.377 -9.667 -7.037 130 HB VAL 20 HB VAL 20 -2.095 -9.582 -5.013 131 HG11 VAL 20 1HG1 VAL 20 -1.225 -7.373 -5.124 132 HG12 VAL 20 2HG1 VAL 20 -1.797 -7.780 -6.743 133 HG13 VAL 20 3HG1 VAL 20 -2.759 -6.728 -5.704 134 HG21 VAL 20 3HG2 VAL 20 -3.911 -9.364 -3.411 135 HG22 VAL 20 1HG2 VAL 20 -2.701 -8.110 -3.141 136 HG23 VAL 20 2HG2 VAL 20 -4.216 -7.714 -3.953 137 H ALA 21 H ALA 21 -2.952 -11.398 -5.088 138 HA ALA 21 HA ALA 21 -5.604 -12.573 -4.598 139 HB1 ALA 21 3HB ALA 21 -3.403 -13.662 -5.845 140 HB2 ALA 21 1HB ALA 21 -3.338 -14.357 -4.225 141 HB3 ALA 21 2HB ALA 21 -4.786 -14.555 -5.213 142 HA PRO 22 HA PRO 22 -5.162 -12.429 -0.236 143 HB2 PRO 22 1HB PRO 22 -6.126 -14.844 0.545 144 HB3 PRO 22 2HB PRO 22 -7.159 -13.556 -0.084 145 HG2 PRO 22 1HG PRO 22 -6.060 -15.959 -1.490 146 HG3 PRO 22 2HG PRO 22 -7.689 -15.263 -1.571 147 HD2 PRO 22 1HD PRO 22 -5.824 -14.835 -3.487 148 HD3 PRO 22 2HD PRO 22 -7.050 -13.624 -3.060 149 H GLY 23 H GLY 23 -2.805 -12.399 -0.298 150 HA2 GLY 23 1HA GLY 23 -1.418 -13.773 1.452 151 HA3 GLY 23 2HA GLY 23 -1.497 -14.978 0.176 152 H GLU 24 H GLU 24 -1.484 -12.253 -1.521 153 HA GLU 24 HA GLU 24 1.398 -12.386 -1.946 154 HB2 GLU 24 1HB GLU 24 -0.771 -10.991 -3.524 155 HB3 GLU 24 2HB GLU 24 0.926 -11.052 -3.977 156 HG2 GLU 24 1HG GLU 24 -0.520 -13.607 -3.508 157 HG3 GLU 24 2HG GLU 24 -0.818 -12.717 -5.001 158 H ASP 25 H ASP 25 2.569 -10.323 -2.368 159 HA ASP 25 HA ASP 25 1.947 -8.427 -0.242 160 HB2 ASP 25 1HB ASP 25 4.238 -7.503 -0.852 161 HB3 ASP 25 2HB ASP 25 4.209 -9.143 -0.209 162 H VAL 26 H VAL 26 1.250 -6.401 -0.561 163 HA VAL 26 HA VAL 26 0.903 -5.511 -3.344 164 HB VAL 26 HB VAL 26 -0.618 -4.792 -0.840 165 HG11 VAL 26 1HG1 VAL 26 -0.332 -3.347 -3.384 166 HG12 VAL 26 2HG1 VAL 26 -1.993 -3.588 -2.837 167 HG13 VAL 26 3HG1 VAL 26 -0.831 -2.765 -1.796 168 HG21 VAL 26 3HG2 VAL 26 -1.083 -6.948 -2.133 169 HG22 VAL 26 1HG2 VAL 26 -2.452 -5.882 -1.814 170 HG23 VAL 26 2HG2 VAL 26 -1.704 -5.903 -3.411 171 H GLU 27 H GLU 27 1.731 -3.608 -4.033 172 HA GLU 27 HA GLU 27 3.085 -1.908 -2.048 173 HB2 GLU 27 1HB GLU 27 4.121 -2.602 -4.802 174 HB3 GLU 27 2HB GLU 27 4.898 -1.527 -3.648 175 HG2 GLU 27 1HG GLU 27 5.329 -3.333 -2.149 176 HG3 GLU 27 2HG GLU 27 4.362 -4.438 -3.123 177 H LEU 28 H LEU 28 2.074 -0.019 -1.996 178 HA LEU 28 HA LEU 28 0.913 1.044 -4.478 179 HB2 LEU 28 1HB LEU 28 0.365 1.890 -1.639 180 HB3 LEU 28 2HB LEU 28 -0.495 2.421 -3.082 181 HG LEU 28 HG LEU 28 -0.484 -0.482 -2.395 182 HD11 LEU 28 1HD1 LEU 28 -2.244 -0.288 -0.848 183 HD12 LEU 28 2HD1 LEU 28 -2.459 1.430 -1.183 184 HD13 LEU 28 3HD1 LEU 28 -1.026 0.872 -0.319 185 HD21 LEU 28 3HD2 LEU 28 -2.005 -0.556 -4.010 186 HD22 LEU 28 1HD2 LEU 28 -1.691 1.151 -4.325 187 HD23 LEU 28 2HD2 LEU 28 -2.979 0.682 -3.215 188 H ARG 29 H ARG 29 2.544 2.151 -5.441 189 HA ARG 29 HA ARG 29 4.184 3.973 -3.867 190 HB2 ARG 29 1HB ARG 29 4.280 3.263 -6.805 191 HB3 ARG 29 2HB ARG 29 5.433 4.300 -5.975 192 HG2 ARG 29 1HG ARG 29 6.078 2.415 -4.543 193 HG3 ARG 29 2HG ARG 29 4.948 1.381 -5.419 194 HD2 ARG 29 1HD ARG 29 7.149 2.891 -6.800 195 HD3 ARG 29 2HD ARG 29 7.396 1.284 -6.117 196 HE ARG 29 HE ARG 29 5.166 1.095 -7.729 197 HH11 ARG 29 2HH1 ARG 29 8.524 1.923 -8.119 198 HH12 ARG 29 1HH1 ARG 29 8.609 1.356 -9.754 199 HH21 ARG 29 2HH2 ARG 29 5.264 0.345 -9.880 200 HH22 ARG 29 1HH2 ARG 29 6.754 0.459 -10.755 201 H CYS 30 H CYS 30 4.561 6.190 -4.714 202 HA CYS 30 HA CYS 30 2.422 7.360 -6.279 203 HB2 CYS 30 1HB CYS 30 1.476 8.712 -4.652 204 HB3 CYS 30 2HB CYS 30 1.771 7.231 -3.749 205 HG CYS 30 HG CYS 30 2.351 9.557 -2.206 206 H GLU 31 H GLU 31 2.791 9.958 -6.021 207 HA GLU 31 HA GLU 31 5.673 10.482 -6.152 208 HB2 GLU 31 1HB GLU 31 4.581 10.037 -8.452 209 HB3 GLU 31 2HB GLU 31 3.819 11.606 -8.234 210 HG2 GLU 31 1HG GLU 31 5.706 12.091 -9.480 211 HG3 GLU 31 2HG GLU 31 6.195 12.483 -7.833 212 H LEU 32 H LEU 32 6.287 12.455 -5.408 213 HA LEU 32 HA LEU 32 4.150 14.339 -4.662 214 HB2 LEU 32 1HB LEU 32 6.635 14.119 -3.030 215 HB3 LEU 32 2HB LEU 32 5.032 14.685 -2.563 216 HG LEU 32 HG LEU 32 5.462 11.795 -3.203 217 HD11 LEU 32 1HD1 LEU 32 7.055 13.005 -1.356 218 HD12 LEU 32 2HD1 LEU 32 6.562 11.312 -1.315 219 HD13 LEU 32 3HD1 LEU 32 5.676 12.512 -0.373 220 HD21 LEU 32 3HD2 LEU 32 3.256 11.977 -2.795 221 HD22 LEU 32 1HD2 LEU 32 3.437 13.489 -1.906 222 HD23 LEU 32 2HD2 LEU 32 3.764 11.952 -1.105 223 H SER 33 H SER 33 4.596 16.519 -4.865 224 HA SER 33 HA SER 33 6.428 17.268 -6.868 225 HB2 SER 33 1HB SER 33 4.507 18.633 -6.617 226 HB3 SER 33 2HB SER 33 4.795 18.858 -4.892 227 HG SER 33 HG SER 33 6.211 19.969 -7.072 228 H ARG 34 H ARG 34 6.955 16.544 -3.650 229 HA ARG 34 HA ARG 34 9.670 17.501 -3.783 230 HB2 ARG 34 1HB ARG 34 8.934 19.510 -2.891 231 HB3 ARG 34 2HB ARG 34 7.642 18.747 -1.973 232 HG2 ARG 34 1HG ARG 34 9.266 17.846 -0.403 233 HG3 ARG 34 2HG ARG 34 10.579 18.564 -1.336 234 HD2 ARG 34 1HD ARG 34 9.815 20.774 -0.839 235 HD3 ARG 34 2HD ARG 34 8.334 20.154 -0.111 236 HE ARG 34 HE ARG 34 10.435 19.055 1.314 237 HH11 ARG 34 2HH1 ARG 34 9.176 22.227 0.630 238 HH12 ARG 34 1HH1 ARG 34 9.722 22.910 2.126 239 HH21 ARG 34 2HH2 ARG 34 11.160 19.942 3.287 240 HH22 ARG 34 1HH2 ARG 34 10.851 21.609 3.636 241 H ALA 35 H ALA 35 11.030 16.570 -2.185 242 HA ALA 35 HA ALA 35 9.940 14.091 -1.089 243 HB1 ALA 35 3HB ALA 35 11.895 13.717 -2.347 244 HB2 ALA 35 1HB ALA 35 12.743 15.060 -1.579 245 HB3 ALA 35 2HB ALA 35 12.393 13.596 -0.659 246 H GLY 36 H GLY 36 11.066 13.408 1.061 247 HA2 GLY 36 1HA GLY 36 11.305 13.745 3.320 248 HA3 GLY 36 2HA GLY 36 11.826 15.379 2.933 249 H THR 37 H THR 37 8.713 13.740 2.420 250 HA THR 37 HA THR 37 7.465 15.759 4.165 251 HB THR 37 HB THR 37 6.336 14.697 1.568 252 HG1 THR 37 1HG THR 37 7.405 17.225 2.326 253 HG21 THR 37 3HG2 THR 37 4.408 15.958 1.954 254 HG22 THR 37 1HG2 THR 37 5.172 16.913 3.224 255 HG23 THR 37 2HG2 THR 37 4.741 15.230 3.525 256 HA PRO 38 HA PRO 38 5.756 12.282 6.278 257 HB2 PRO 38 1HB PRO 38 3.789 13.579 7.626 258 HB3 PRO 38 2HB PRO 38 5.496 13.699 8.068 259 HG2 PRO 38 1HG PRO 38 3.811 15.601 6.485 260 HG3 PRO 38 2HG PRO 38 4.999 15.949 7.754 261 HD2 PRO 38 1HD PRO 38 5.564 16.208 5.118 262 HD3 PRO 38 2HD PRO 38 6.787 15.733 6.315 263 H VAL 39 H VAL 39 4.054 10.856 6.108 264 HA VAL 39 HA VAL 39 1.799 11.651 4.392 265 HB VAL 39 HB VAL 39 3.629 10.188 3.275 266 HG11 VAL 39 1HG1 VAL 39 3.622 8.612 5.284 267 HG12 VAL 39 2HG1 VAL 39 2.118 7.970 4.622 268 HG13 VAL 39 3HG1 VAL 39 3.607 7.879 3.680 269 HG21 VAL 39 3HG2 VAL 39 0.855 9.064 3.098 270 HG22 VAL 39 1HG2 VAL 39 1.219 10.695 2.533 271 HG23 VAL 39 2HG2 VAL 39 2.038 9.309 1.813 272 H HIS 40 H HIS 40 -0.102 10.251 4.612 273 HA HIS 40 HA HIS 40 -0.233 8.817 7.171 274 HB2 HIS 40 1HB HIS 40 -1.194 11.287 7.088 275 HB3 HIS 40 2HB HIS 40 -2.575 10.478 6.353 276 HD1 HIS 40 1HD HIS 40 -2.620 11.868 9.178 277 HD2 HIS 40 2HD HIS 40 -2.169 7.796 8.486 278 HE1 HIS 40 1HE HIS 40 -3.375 10.738 11.294 279 HE2 HIS 40 2HE HIS 40 -3.013 8.280 10.882 280 H TRP 41 H TRP 41 -0.607 6.786 6.544 281 HA TRP 41 HA TRP 41 -2.286 6.230 4.240 282 HB2 TRP 41 1HB TRP 41 -0.690 4.437 6.077 283 HB3 TRP 41 2HB TRP 41 -1.667 3.841 4.738 284 HD1 TRP 41 HD TRP 41 1.668 5.426 5.518 285 HE1 TRP 41 1HE TRP 41 3.057 5.599 3.357 286 HE3 TRP 41 3HE TRP 41 -1.954 4.201 2.124 287 HZ2 TRP 41 2HZ TRP 41 2.668 5.262 0.582 288 HZ3 TRP 41 3HZ TRP 41 -1.363 4.150 -0.264 289 HH2 TRP 41 HH TRP 41 0.900 4.670 -1.017 290 H LEU 42 H LEU 42 -4.416 6.190 4.499 291 HA LEU 42 HA LEU 42 -5.514 5.185 7.038 292 HB2 LEU 42 1HB LEU 42 -6.770 6.982 4.969 293 HB3 LEU 42 2HB LEU 42 -7.561 6.413 6.438 294 HG LEU 42 HG LEU 42 -5.018 7.941 6.700 295 HD11 LEU 42 1HD1 LEU 42 -6.379 10.045 6.739 296 HD12 LEU 42 2HD1 LEU 42 -7.687 9.134 5.985 297 HD13 LEU 42 3HD1 LEU 42 -6.152 9.332 5.141 298 HD21 LEU 42 3HD2 LEU 42 -5.774 7.284 8.766 299 HD22 LEU 42 1HD2 LEU 42 -7.472 7.394 8.302 300 HD23 LEU 42 2HD2 LEU 42 -6.548 8.863 8.620 301 H LYS 43 H LYS 43 -6.278 3.189 6.957 302 HA LYS 43 HA LYS 43 -7.361 2.191 4.406 303 HB2 LYS 43 1HB LYS 43 -5.309 1.082 5.560 304 HB3 LYS 43 2HB LYS 43 -6.500 0.412 6.667 305 HG2 LYS 43 1HG LYS 43 -6.796 0.097 3.704 306 HG3 LYS 43 2HG LYS 43 -5.776 -0.991 4.647 307 HD2 LYS 43 1HD LYS 43 -7.908 -1.172 6.164 308 HD3 LYS 43 2HD LYS 43 -8.739 -0.635 4.703 309 HE2 LYS 43 1HE LYS 43 -8.250 -2.554 3.556 310 HE3 LYS 43 2HE LYS 43 -6.772 -2.853 4.470 311 HZ1 LYS 43 3HZ LYS 43 -8.237 -3.391 6.400 312 HZ2 LYS 43 1HZ LYS 43 -8.344 -4.481 5.111 313 HZ3 LYS 43 2HZ LYS 43 -9.562 -3.332 5.350 314 H ASP 44 H ASP 44 -9.504 2.187 4.370 315 HA ASP 44 HA ASP 44 -11.679 1.879 4.964 316 HB2 ASP 44 1HB ASP 44 -10.431 0.174 7.128 317 HB3 ASP 44 2HB ASP 44 -12.158 0.245 6.792 318 H ARG 45 H ARG 45 -10.430 4.219 5.823 319 HA ARG 45 HA ARG 45 -10.801 6.016 7.167 320 HB2 ARG 45 1HB ARG 45 -13.084 4.342 8.232 321 HB3 ARG 45 2HB ARG 45 -12.861 6.064 8.513 322 HG2 ARG 45 1HG ARG 45 -12.832 6.114 5.865 323 HG3 ARG 45 2HG ARG 45 -13.773 4.637 6.083 324 HD2 ARG 45 1HD ARG 45 -15.061 6.164 7.826 325 HD3 ARG 45 2HD ARG 45 -14.442 7.445 6.785 326 HE ARG 45 HE ARG 45 -15.666 5.388 5.259 327 HH11 ARG 45 2HH1 ARG 45 -16.376 8.116 7.302 328 HH12 ARG 45 1HH1 ARG 45 -17.913 8.433 6.567 329 HH21 ARG 45 2HH2 ARG 45 -17.687 5.795 4.283 330 HH22 ARG 45 1HH2 ARG 45 -18.658 7.111 4.850 331 H LYS 46 H LYS 46 -9.008 3.879 7.986 332 HA LYS 46 HA LYS 46 -9.008 4.404 10.882 333 HB2 LYS 46 1HB LYS 46 -9.466 2.191 11.077 334 HB3 LYS 46 2HB LYS 46 -8.901 1.825 9.452 335 HG2 LYS 46 1HG LYS 46 -6.567 2.017 10.284 336 HG3 LYS 46 2HG LYS 46 -7.214 2.209 11.915 337 HD2 LYS 46 1HD LYS 46 -8.169 0.024 11.875 338 HD3 LYS 46 2HD LYS 46 -7.830 -0.157 10.152 339 HE2 LYS 46 1HE LYS 46 -5.395 0.016 10.702 340 HE3 LYS 46 2HE LYS 46 -5.835 -0.030 12.409 341 HZ1 LYS 46 3HZ LYS 46 -6.813 -2.151 10.629 342 HZ2 LYS 46 1HZ LYS 46 -6.462 -2.212 12.283 343 HZ3 LYS 46 2HZ LYS 46 -5.205 -2.202 11.152 344 H ALA 47 H ALA 47 -7.093 5.014 11.748 345 HA ALA 47 HA ALA 47 -5.000 5.816 9.978 346 HB1 ALA 47 3HB ALA 47 -3.899 6.668 11.957 347 HB2 ALA 47 1HB ALA 47 -5.611 7.093 11.993 348 HB3 ALA 47 2HB ALA 47 -5.009 5.770 12.993 349 H ILE 48 H ILE 48 -3.320 4.666 9.302 350 HA ILE 48 HA ILE 48 -2.778 2.079 10.542 351 HB ILE 48 HB ILE 48 -1.510 3.204 8.049 352 HG12 ILE 48 1HG1 ILE 48 -3.909 1.372 8.189 353 HG13 ILE 48 2HG1 ILE 48 -4.029 3.110 7.938 354 HG21 ILE 48 1HG2 ILE 48 -0.229 1.393 8.695 355 HG22 ILE 48 2HG2 ILE 48 -1.611 0.520 9.358 356 HG23 ILE 48 3HG2 ILE 48 -1.401 0.644 7.611 357 HD11 ILE 48 3HD1 ILE 48 -3.315 0.984 6.074 358 HD12 ILE 48 1HD1 ILE 48 -3.985 2.587 5.773 359 HD13 ILE 48 2HD1 ILE 48 -2.249 2.387 6.010 360 H ARG 49 H ARG 49 -0.640 1.419 11.099 361 HA ARG 49 HA ARG 49 1.202 3.648 11.663 362 HB2 ARG 49 1HB ARG 49 1.812 2.582 13.764 363 HB3 ARG 49 2HB ARG 49 0.081 2.893 13.722 364 HG2 ARG 49 1HG ARG 49 0.035 0.409 12.803 365 HG3 ARG 49 2HG ARG 49 1.552 0.322 13.700 366 HD2 ARG 49 1HD ARG 49 -0.961 1.416 14.927 367 HD3 ARG 49 2HD ARG 49 -0.595 -0.309 14.936 368 HE ARG 49 HE ARG 49 1.622 1.091 15.929 369 HH11 ARG 49 2HH1 ARG 49 -1.658 0.316 16.802 370 HH12 ARG 49 1HH1 ARG 49 -1.354 0.371 18.507 371 HH21 ARG 49 2HH2 ARG 49 2.034 1.166 18.171 372 HH22 ARG 49 1HH2 ARG 49 0.746 0.855 19.285 373 H LYS 50 H LYS 50 3.171 3.408 10.842 374 HA LYS 50 HA LYS 50 3.941 1.359 9.167 375 HB2 LYS 50 1HB LYS 50 5.062 3.535 9.237 376 HB3 LYS 50 2HB LYS 50 5.724 3.156 10.822 377 HG2 LYS 50 1HG LYS 50 7.107 1.440 9.919 378 HG3 LYS 50 2HG LYS 50 6.313 1.552 8.346 379 HD2 LYS 50 1HD LYS 50 8.199 2.787 7.938 380 HD3 LYS 50 2HD LYS 50 7.112 4.059 8.499 381 HE2 LYS 50 1HE LYS 50 8.980 4.498 9.759 382 HE3 LYS 50 2HE LYS 50 8.090 3.434 10.847 383 HZ1 LYS 50 3HZ LYS 50 10.387 2.723 9.113 384 HZ2 LYS 50 1HZ LYS 50 9.433 1.572 9.904 385 HZ3 LYS 50 2HZ LYS 50 10.322 2.694 10.803 386 H SER 51 H SER 51 4.363 -0.709 9.524 387 HA SER 51 HA SER 51 6.027 -1.544 11.719 388 HB2 SER 51 1HB SER 51 4.353 -3.168 12.620 389 HB3 SER 51 2HB SER 51 3.913 -1.484 12.898 390 HG SER 51 HG SER 51 2.459 -1.617 11.192 391 H GLN 52 H GLN 52 6.068 -4.088 11.722 392 HA GLN 52 HA GLN 52 7.300 -5.049 9.555 393 HB2 GLN 52 1HB GLN 52 6.590 -6.217 11.803 394 HB3 GLN 52 2HB GLN 52 5.296 -6.879 10.812 395 HG2 GLN 52 1HG GLN 52 6.963 -8.497 10.742 396 HG3 GLN 52 2HG GLN 52 7.136 -7.630 9.217 397 HE21 GLN 52 1HE2 GLN 52 8.955 -9.147 11.211 398 HE22 GLN 52 2HE2 GLN 52 10.342 -8.123 11.320 399 H LYS 53 H LYS 53 3.773 -5.208 9.993 400 HA LYS 53 HA LYS 53 3.207 -6.397 7.506 401 HB2 LYS 53 1HB LYS 53 1.500 -6.490 9.128 402 HB3 LYS 53 2HB LYS 53 1.572 -4.758 9.427 403 HG2 LYS 53 1HG LYS 53 -0.411 -5.130 8.221 404 HG3 LYS 53 2HG LYS 53 0.733 -4.443 7.066 405 HD2 LYS 53 1HD LYS 53 -0.081 -6.181 5.823 406 HD3 LYS 53 2HD LYS 53 1.272 -6.990 6.618 407 HE2 LYS 53 1HE LYS 53 -0.483 -8.480 6.920 408 HE3 LYS 53 2HE LYS 53 -0.452 -7.589 8.441 409 HZ1 LYS 53 3HZ LYS 53 -2.437 -6.656 8.030 410 HZ2 LYS 53 1HZ LYS 53 -2.649 -7.961 6.974 411 HZ3 LYS 53 2HZ LYS 53 -2.144 -6.463 6.375 412 H TYR 54 H TYR 54 2.680 -3.002 8.477 413 HA TYR 54 HA TYR 54 2.681 -2.227 5.664 414 HB2 TYR 54 1HB TYR 54 2.148 -0.530 8.111 415 HB3 TYR 54 2HB TYR 54 1.848 -0.078 6.436 416 HD1 TYR 54 2HD TYR 54 0.302 -1.873 5.146 417 HD2 TYR 54 1HD TYR 54 0.324 -1.195 9.346 418 HE1 TYR 54 2HE TYR 54 -1.973 -2.795 5.301 419 HE2 TYR 54 1HE TYR 54 -1.950 -2.117 9.513 420 HH TYR 54 HH TYR 54 -3.638 -3.063 8.428 421 H ASP 55 H ASP 55 4.650 -1.945 4.831 422 HA ASP 55 HA ASP 55 6.729 -0.674 6.461 423 HB2 ASP 55 1HB ASP 55 7.040 -1.991 3.758 424 HB3 ASP 55 2HB ASP 55 8.323 -1.534 4.875 425 H VAL 56 H VAL 56 6.311 1.488 6.351 426 HA VAL 56 HA VAL 56 5.572 2.813 3.928 427 HB VAL 56 HB VAL 56 6.598 3.988 6.516 428 HG11 VAL 56 1HG1 VAL 56 6.783 5.446 4.485 429 HG12 VAL 56 2HG1 VAL 56 5.027 5.352 4.338 430 HG13 VAL 56 3HG1 VAL 56 5.755 6.086 5.767 431 HG21 VAL 56 3HG2 VAL 56 4.232 4.417 7.007 432 HG22 VAL 56 1HG2 VAL 56 3.778 3.569 5.529 433 HG23 VAL 56 2HG2 VAL 56 4.561 2.692 6.844 434 H VAL 57 H VAL 57 7.045 2.683 2.316 435 HA VAL 57 HA VAL 57 9.844 3.332 2.898 436 HB VAL 57 HB VAL 57 8.659 2.285 0.324 437 HG11 VAL 57 1HG1 VAL 57 11.535 2.260 1.211 438 HG12 VAL 57 2HG1 VAL 57 10.885 1.900 -0.390 439 HG13 VAL 57 3HG1 VAL 57 10.842 3.551 0.230 440 HG21 VAL 57 3HG2 VAL 57 10.349 0.530 1.973 441 HG22 VAL 57 1HG2 VAL 57 8.757 0.891 2.640 442 HG23 VAL 57 2HG2 VAL 57 8.898 0.162 1.041 443 H CYS 58 H CYS 58 9.733 5.567 3.105 444 HA CYS 58 HA CYS 58 8.624 7.132 0.915 445 HB2 CYS 58 1HB CYS 58 8.130 7.945 3.123 446 HB3 CYS 58 2HB CYS 58 9.831 7.915 3.572 447 HG CYS 58 HG CYS 58 8.114 10.383 2.353 448 H GLU 59 H GLU 59 9.999 6.850 -0.806 449 HA GLU 59 HA GLU 59 12.819 7.577 -0.407 450 HB2 GLU 59 1HB GLU 59 11.396 5.818 -2.348 451 HB3 GLU 59 2HB GLU 59 12.857 6.632 -2.890 452 HG2 GLU 59 1HG GLU 59 12.924 5.154 -0.312 453 HG3 GLU 59 2HG GLU 59 12.942 4.240 -1.819 454 H GLY 60 H GLY 60 13.644 8.406 -2.791 455 HA2 GLY 60 1HA GLY 60 13.179 11.041 -2.999 456 HA3 GLY 60 2HA GLY 60 13.508 10.057 -4.418 457 H THR 61 H THR 61 11.233 11.991 -2.803 458 HA THR 61 HA THR 61 8.982 12.389 -3.120 459 HB THR 61 HB THR 61 8.495 13.212 -5.330 460 HG1 THR 61 1HG THR 61 10.887 11.927 -6.199 461 HG21 THR 61 3HG2 THR 61 10.568 14.108 -3.793 462 HG22 THR 61 1HG2 THR 61 9.928 14.943 -5.207 463 HG23 THR 61 2HG2 THR 61 11.344 13.903 -5.363 464 H MET 62 H MET 62 9.322 9.663 -2.733 465 HA MET 62 HA MET 62 7.099 8.636 -4.315 466 HB2 MET 62 1HB MET 62 9.298 7.952 -5.394 467 HB3 MET 62 2HB MET 62 9.596 6.983 -3.956 468 HG2 MET 62 1HG MET 62 7.157 6.678 -5.686 469 HG3 MET 62 2HG MET 62 8.639 5.752 -5.911 470 HE1 MET 62 3HE MET 62 9.012 3.451 -3.158 471 HE2 MET 62 1HE MET 62 9.830 4.785 -3.973 472 HE3 MET 62 2HE MET 62 9.214 4.998 -2.335 473 H ALA 63 H ALA 63 5.649 7.810 -2.971 474 HA ALA 63 HA ALA 63 6.570 6.786 -0.366 475 HB1 ALA 63 3HB ALA 63 4.701 7.638 0.658 476 HB2 ALA 63 1HB ALA 63 4.966 8.846 -0.601 477 HB3 ALA 63 2HB ALA 63 3.739 7.598 -0.820 478 H MET 64 H MET 64 6.716 4.630 -0.519 479 HA MET 64 HA MET 64 4.547 3.172 -1.868 480 HB2 MET 64 1HB MET 64 6.960 2.870 -2.628 481 HB3 MET 64 2HB MET 64 7.236 2.047 -1.099 482 HG2 MET 64 1HG MET 64 5.667 0.335 -1.659 483 HG3 MET 64 2HG MET 64 5.158 1.209 -3.102 484 HE1 MET 64 3HE MET 64 9.186 -0.914 -2.493 485 HE2 MET 64 1HE MET 64 9.057 0.773 -1.992 486 HE3 MET 64 2HE MET 64 8.031 -0.450 -1.242 487 H LEU 65 H LEU 65 3.439 1.554 -0.823 488 HA LEU 65 HA LEU 65 4.045 1.175 2.033 489 HB2 LEU 65 1HB LEU 65 2.111 2.639 1.767 490 HB3 LEU 65 2HB LEU 65 1.325 1.427 0.757 491 HG LEU 65 HG LEU 65 1.364 -0.100 2.767 492 HD11 LEU 65 1HD1 LEU 65 1.374 1.487 4.912 493 HD12 LEU 65 2HD1 LEU 65 2.559 2.344 3.926 494 HD13 LEU 65 3HD1 LEU 65 2.815 0.648 4.336 495 HD21 LEU 65 3HD2 LEU 65 -0.414 1.903 2.004 496 HD22 LEU 65 1HD2 LEU 65 -0.271 2.064 3.754 497 HD23 LEU 65 2HD2 LEU 65 -0.752 0.521 3.047 498 H VAL 66 H VAL 66 4.756 -0.846 2.232 499 HA VAL 66 HA VAL 66 3.779 -2.951 0.488 500 HB VAL 66 HB VAL 66 5.716 -3.287 2.769 501 HG11 VAL 66 1HG1 VAL 66 6.164 -5.330 1.918 502 HG12 VAL 66 2HG1 VAL 66 4.547 -5.163 1.233 503 HG13 VAL 66 3HG1 VAL 66 5.965 -4.798 0.249 504 HG21 VAL 66 3HG2 VAL 66 7.337 -3.115 0.635 505 HG22 VAL 66 1HG2 VAL 66 6.089 -1.965 0.156 506 HG23 VAL 66 2HG2 VAL 66 6.957 -1.742 1.675 507 H ILE 67 H ILE 67 2.101 -4.189 0.976 508 HA ILE 67 HA ILE 67 1.248 -4.369 3.785 509 HB ILE 67 HB ILE 67 -0.353 -4.896 1.278 510 HG12 ILE 67 1HG1 ILE 67 -0.963 -2.695 3.199 511 HG13 ILE 67 2HG1 ILE 67 0.371 -2.467 2.074 512 HG21 ILE 67 1HG2 ILE 67 -1.993 -4.505 3.545 513 HG22 ILE 67 2HG2 ILE 67 -1.801 -5.963 2.574 514 HG23 ILE 67 3HG2 ILE 67 -0.770 -5.698 3.979 515 HD11 ILE 67 3HD1 ILE 67 -2.318 -3.330 1.098 516 HD12 ILE 67 1HD1 ILE 67 -1.967 -1.633 1.420 517 HD13 ILE 67 2HD1 ILE 67 -1.020 -2.518 0.224 518 H ARG 68 H ARG 68 2.965 -6.013 4.050 519 HA ARG 68 HA ARG 68 3.260 -8.394 2.786 520 HB2 ARG 68 1HB ARG 68 3.472 -7.597 5.653 521 HB3 ARG 68 2HB ARG 68 3.574 -9.307 5.255 522 HG2 ARG 68 1HG ARG 68 5.280 -7.305 3.832 523 HG3 ARG 68 2HG ARG 68 5.741 -7.930 5.416 524 HD2 ARG 68 1HD ARG 68 5.012 -9.767 3.159 525 HD3 ARG 68 2HD ARG 68 6.644 -9.119 3.322 526 HE ARG 68 HE ARG 68 5.678 -10.334 5.730 527 HH11 ARG 68 2HH1 ARG 68 7.175 -10.944 2.646 528 HH12 ARG 68 1HH1 ARG 68 7.932 -12.415 3.158 529 HH21 ARG 68 2HH2 ARG 68 6.670 -12.270 6.416 530 HH22 ARG 68 1HH2 ARG 68 7.644 -13.169 5.302 531 H GLY 69 H GLY 69 2.188 -10.288 2.568 532 HA2 GLY 69 1HA GLY 69 0.310 -11.623 2.431 533 HA3 GLY 69 2HA GLY 69 0.362 -11.496 4.183 534 H ALA 70 H ALA 70 -0.975 -10.071 1.251 535 HA ALA 70 HA ALA 70 -2.870 -8.485 2.786 536 HB1 ALA 70 3HB ALA 70 -3.636 -8.129 0.222 537 HB2 ALA 70 1HB ALA 70 -2.379 -7.182 1.018 538 HB3 ALA 70 2HB ALA 70 -1.938 -8.550 -0.004 539 H SER 71 H SER 71 -4.420 -9.729 3.687 540 HA SER 71 HA SER 71 -5.593 -11.944 2.241 541 HB2 SER 71 1HB SER 71 -6.271 -10.774 4.951 542 HB3 SER 71 2HB SER 71 -6.939 -12.266 4.290 543 HG SER 71 HG SER 71 -4.185 -11.771 4.778 544 H LEU 72 H LEU 72 -8.056 -12.118 2.283 545 HA LEU 72 HA LEU 72 -9.190 -10.293 0.575 546 HB2 LEU 72 1HB LEU 72 -10.678 -11.885 2.657 547 HB3 LEU 72 2HB LEU 72 -11.341 -11.231 1.161 548 HG LEU 72 HG LEU 72 -9.091 -13.179 0.999 549 HD11 LEU 72 1HD1 LEU 72 -11.532 -14.602 0.821 550 HD12 LEU 72 2HD1 LEU 72 -11.517 -13.746 2.362 551 HD13 LEU 72 3HD1 LEU 72 -10.199 -14.843 1.951 552 HD21 LEU 72 3HD2 LEU 72 -9.742 -13.398 -1.146 553 HD22 LEU 72 1HD2 LEU 72 -10.510 -11.835 -0.863 554 HD23 LEU 72 2HD2 LEU 72 -11.459 -13.317 -0.745 555 H LYS 73 H LYS 73 -8.869 -10.106 4.031 556 HA LYS 73 HA LYS 73 -10.775 -8.001 4.401 557 HB2 LYS 73 1HB LYS 73 -8.717 -9.348 6.090 558 HB3 LYS 73 2HB LYS 73 -9.320 -7.779 6.609 559 HG2 LYS 73 1HG LYS 73 -11.609 -8.656 6.565 560 HG3 LYS 73 2HG LYS 73 -10.983 -10.235 6.082 561 HD2 LYS 73 1HD LYS 73 -9.955 -8.906 8.558 562 HD3 LYS 73 2HD LYS 73 -11.499 -9.762 8.589 563 HE2 LYS 73 1HE LYS 73 -10.114 -11.480 9.156 564 HE3 LYS 73 2HE LYS 73 -10.060 -11.641 7.402 565 HZ1 LYS 73 3HZ LYS 73 -7.973 -10.619 7.308 566 HZ2 LYS 73 1HZ LYS 73 -7.863 -11.676 8.624 567 HZ3 LYS 73 2HZ LYS 73 -8.080 -10.020 8.886 568 H ASP 74 H ASP 74 -7.247 -8.165 4.111 569 HA ASP 74 HA ASP 74 -6.491 -5.608 4.655 570 HB2 ASP 74 1HB ASP 74 -5.527 -7.462 2.478 571 HB3 ASP 74 2HB ASP 74 -4.747 -5.921 2.824 572 H ALA 75 H ALA 75 -8.438 -6.681 2.013 573 HA ALA 75 HA ALA 75 -8.060 -4.539 0.228 574 HB1 ALA 75 3HB ALA 75 -9.565 -5.608 -1.033 575 HB2 ALA 75 1HB ALA 75 -9.504 -6.867 0.202 576 HB3 ALA 75 2HB ALA 75 -10.764 -5.634 0.260 577 H GLY 76 H GLY 76 -8.596 -2.466 0.394 578 HA2 GLY 76 1HA GLY 76 -11.073 -1.588 1.505 579 HA3 GLY 76 2HA GLY 76 -9.739 -1.273 2.605 580 H GLU 77 H GLU 77 -10.706 0.961 2.103 581 HA GLU 77 HA GLU 77 -9.726 2.077 -0.408 582 HB2 GLU 77 1HB GLU 77 -12.020 2.565 0.832 583 HB3 GLU 77 2HB GLU 77 -11.040 3.755 1.679 584 HG2 GLU 77 1HG GLU 77 -10.667 5.002 -0.223 585 HG3 GLU 77 2HG GLU 77 -10.996 3.647 -1.302 586 H TYR 78 H TYR 78 -7.642 2.608 -0.431 587 HA TYR 78 HA TYR 78 -6.316 3.510 1.994 588 HB2 TYR 78 1HB TYR 78 -5.355 2.768 -0.760 589 HB3 TYR 78 2HB TYR 78 -4.293 3.560 0.399 590 HD1 TYR 78 2HD TYR 78 -6.351 0.531 -0.166 591 HD2 TYR 78 1HD TYR 78 -3.256 2.334 2.130 592 HE1 TYR 78 2HE TYR 78 -5.835 -1.653 0.842 593 HE2 TYR 78 1HE TYR 78 -2.730 0.156 3.144 594 HH TYR 78 HH TYR 78 -3.099 -2.059 3.043 595 H THR 79 H THR 79 -6.427 5.582 2.521 596 HA THR 79 HA THR 79 -6.528 7.593 0.374 597 HB THR 79 HB THR 79 -7.414 7.798 3.258 598 HG1 THR 79 1HG THR 79 -8.699 6.730 1.393 599 HG21 THR 79 3HG2 THR 79 -8.399 10.016 2.244 600 HG22 THR 79 1HG2 THR 79 -7.051 9.849 1.120 601 HG23 THR 79 2HG2 THR 79 -6.744 9.964 2.853 602 H CYS 80 H CYS 80 -4.542 8.325 -0.052 603 HA CYS 80 HA CYS 80 -2.507 8.472 1.987 604 HB2 CYS 80 1HB CYS 80 -2.069 7.851 -0.420 605 HB3 CYS 80 2HB CYS 80 -2.372 9.532 -0.838 606 HG CYS 80 HG CYS 80 0.142 8.428 1.206 607 H GLU 81 H GLU 81 -3.353 9.983 3.458 608 HA GLU 81 HA GLU 81 -4.030 12.645 2.593 609 HB2 GLU 81 1HB GLU 81 -4.859 11.237 4.685 610 HB3 GLU 81 2HB GLU 81 -3.484 12.016 5.456 611 HG2 GLU 81 1HG GLU 81 -4.565 14.173 4.377 612 HG3 GLU 81 2HG GLU 81 -6.021 13.184 4.466 613 H VAL 82 H VAL 82 -2.325 13.724 1.744 614 HA VAL 82 HA VAL 82 0.217 13.751 3.192 615 HB VAL 82 HB VAL 82 -0.044 13.470 0.614 616 HG11 VAL 82 1HG1 VAL 82 -0.290 16.456 0.939 617 HG12 VAL 82 2HG1 VAL 82 0.138 15.654 -0.573 618 HG13 VAL 82 3HG1 VAL 82 -1.439 15.367 0.165 619 HG21 VAL 82 3HG2 VAL 82 2.165 13.879 0.508 620 HG22 VAL 82 1HG2 VAL 82 1.990 15.529 1.105 621 HG23 VAL 82 2HG2 VAL 82 2.014 14.178 2.239 622 H GLU 83 H GLU 83 1.316 16.095 2.805 623 HA GLU 83 HA GLU 83 0.605 17.799 4.697 624 HB2 GLU 83 1HB GLU 83 1.180 19.671 2.826 625 HB3 GLU 83 2HB GLU 83 2.392 18.700 3.651 626 HG2 GLU 83 1HG GLU 83 2.659 17.268 1.827 627 HG3 GLU 83 2HG GLU 83 1.153 17.797 1.079 628 H ALA 84 H ALA 84 -0.525 18.579 1.411 629 HA ALA 84 HA ALA 84 -3.065 19.486 2.601 630 HB1 ALA 84 3HB ALA 84 -3.073 21.415 1.364 631 HB2 ALA 84 1HB ALA 84 -1.343 21.227 1.654 632 HB3 ALA 84 2HB ALA 84 -2.036 20.744 0.106 633 H SER 85 H SER 85 -1.453 17.884 -0.051 634 HA SER 85 HA SER 85 -3.789 17.546 -1.663 635 HB2 SER 85 1HB SER 85 -1.217 17.389 -2.275 636 HB3 SER 85 2HB SER 85 -1.459 15.686 -1.885 637 HG SER 85 HG SER 85 -2.225 17.070 -4.080 638 H LYS 86 H LYS 86 -4.208 15.101 -2.362 639 HA LYS 86 HA LYS 86 -4.129 13.153 -0.286 640 HB2 LYS 86 1HB LYS 86 -6.676 14.690 -0.742 641 HB3 LYS 86 2HB LYS 86 -6.698 13.044 -0.123 642 HG2 LYS 86 1HG LYS 86 -4.944 14.092 1.584 643 HG3 LYS 86 2HG LYS 86 -5.847 15.555 1.185 644 HD2 LYS 86 1HD LYS 86 -7.006 12.968 2.221 645 HD3 LYS 86 2HD LYS 86 -6.802 14.461 3.139 646 HE2 LYS 86 1HE LYS 86 -8.375 14.480 0.599 647 HE3 LYS 86 2HE LYS 86 -9.115 13.873 2.079 648 HZ1 LYS 86 3HZ LYS 86 -8.348 16.055 3.100 649 HZ2 LYS 86 1HZ LYS 86 -9.651 16.125 2.023 650 HZ3 LYS 86 2HZ LYS 86 -8.108 16.593 1.515 651 H SER 87 H SER 87 -4.573 11.128 -1.050 652 HA SER 87 HA SER 87 -5.697 10.921 -3.761 653 HB2 SER 87 1HB SER 87 -3.353 10.701 -4.120 654 HB3 SER 87 2HB SER 87 -3.163 9.655 -2.713 655 HG SER 87 HG SER 87 -4.449 8.096 -3.841 656 H THR 88 H THR 88 -7.132 9.314 -4.058 657 HA THR 88 HA THR 88 -7.498 7.396 -1.848 658 HB THR 88 HB THR 88 -9.701 8.399 -3.653 659 HG1 THR 88 1HG THR 88 -8.991 10.144 -2.412 660 HG21 THR 88 3HG2 THR 88 -9.978 7.167 -0.929 661 HG22 THR 88 1HG2 THR 88 -9.853 6.167 -2.376 662 HG23 THR 88 2HG2 THR 88 -11.185 7.311 -2.207 663 H ALA 89 H ALA 89 -8.018 5.270 -2.360 664 HA ALA 89 HA ALA 89 -8.318 4.465 -5.122 665 HB1 ALA 89 3HB ALA 89 -6.140 2.955 -3.886 666 HB2 ALA 89 1HB ALA 89 -6.294 3.596 -5.522 667 HB3 ALA 89 2HB ALA 89 -5.751 4.644 -4.211 668 H SER 90 H SER 90 -8.478 2.008 -5.261 669 HA SER 90 HA SER 90 -9.657 0.918 -2.793 670 HB2 SER 90 1HB SER 90 -10.743 0.618 -5.604 671 HB3 SER 90 2HB SER 90 -11.388 -0.185 -4.172 672 HG SER 90 HG SER 90 -11.118 2.602 -4.150 673 H LEU 91 H LEU 91 -8.648 -0.858 -2.159 674 HA LEU 91 HA LEU 91 -6.943 -2.305 -4.014 675 HB2 LEU 91 1HB LEU 91 -5.920 -1.877 -1.944 676 HB3 LEU 91 2HB LEU 91 -7.347 -2.386 -1.042 677 HG LEU 91 HG LEU 91 -6.909 -4.714 -1.677 678 HD11 LEU 91 1HD1 LEU 91 -5.468 -5.315 -3.261 679 HD12 LEU 91 2HD1 LEU 91 -4.187 -4.310 -2.585 680 HD13 LEU 91 3HD1 LEU 91 -5.369 -3.607 -3.690 681 HD21 LEU 91 3HD2 LEU 91 -4.466 -3.415 -0.482 682 HD22 LEU 91 1HD2 LEU 91 -5.022 -5.071 -0.240 683 HD23 LEU 91 2HD2 LEU 91 -5.964 -3.723 0.398 684 H HIS 92 H HIS 92 -7.131 -4.491 -4.502 685 HA HIS 92 HA HIS 92 -9.693 -5.750 -3.773 686 HB2 HIS 92 1HB HIS 92 -8.296 -5.816 -6.454 687 HB3 HIS 92 2HB HIS 92 -9.699 -6.794 -6.036 688 HD1 HIS 92 1HD HIS 92 -11.933 -5.396 -5.488 689 HD2 HIS 92 2HD HIS 92 -8.875 -3.314 -7.378 690 HE1 HIS 92 1HE HIS 92 -13.010 -3.327 -6.427 691 HE2 HIS 92 2HE HIS 92 -11.157 -2.125 -7.639 692 H VAL 93 H VAL 93 -9.697 -8.027 -3.590 693 HA VAL 93 HA VAL 93 -7.232 -9.504 -3.858 694 HB VAL 93 HB VAL 93 -8.416 -9.033 -1.119 695 HG11 VAL 93 1HG1 VAL 93 -7.819 -11.188 -0.811 696 HG12 VAL 93 2HG1 VAL 93 -6.719 -11.194 -2.191 697 HG13 VAL 93 3HG1 VAL 93 -6.205 -10.495 -0.654 698 HG21 VAL 93 3HG2 VAL 93 -6.050 -8.297 -0.635 699 HG22 VAL 93 1HG2 VAL 93 -5.777 -8.319 -2.378 700 HG23 VAL 93 2HG2 VAL 93 -6.982 -7.232 -1.688 701 H GLU 94 H GLU 94 -7.945 -11.269 -4.851 702 HA GLU 94 HA GLU 94 -10.241 -12.692 -3.696 703 HB2 GLU 94 1HB GLU 94 -9.775 -12.242 -6.650 704 HB3 GLU 94 2HB GLU 94 -11.042 -13.246 -5.959 705 HG2 GLU 94 1HG GLU 94 -11.878 -11.181 -4.785 706 HG3 GLU 94 2HG GLU 94 -10.751 -10.263 -5.781 707 H GLU 95 H GLU 95 -10.138 -14.920 -3.770 708 HA GLU 95 HA GLU 95 -7.533 -16.055 -3.928 709 HB2 GLU 95 1HB GLU 95 -9.664 -16.749 -2.527 710 HB3 GLU 95 2HB GLU 95 -9.983 -17.764 -3.927 711 HG2 GLU 95 1HG GLU 95 -8.142 -19.088 -3.561 712 HG3 GLU 95 2HG GLU 95 -7.291 -17.839 -2.655 713 H LYS 96 H LYS 96 -6.737 -17.617 -5.364 714 HA LYS 96 HA LYS 96 -7.723 -17.323 -8.076 715 HB2 LYS 96 1HB LYS 96 -5.282 -18.654 -6.903 716 HB3 LYS 96 2HB LYS 96 -5.678 -18.729 -8.615 717 HG2 LYS 96 1HG LYS 96 -5.541 -16.306 -8.771 718 HG3 LYS 96 2HG LYS 96 -5.188 -16.206 -7.044 719 HD2 LYS 96 1HD LYS 96 -3.213 -17.780 -7.592 720 HD3 LYS 96 2HD LYS 96 -3.482 -17.279 -9.264 721 HE2 LYS 96 1HE LYS 96 -3.112 -14.978 -8.693 722 HE3 LYS 96 2HE LYS 96 -3.047 -15.366 -6.974 723 HZ1 LYS 96 3HZ LYS 96 -1.096 -16.870 -7.678 724 HZ2 LYS 96 1HZ LYS 96 -0.836 -15.203 -7.550 725 HZ3 LYS 96 2HZ LYS 96 -1.052 -15.910 -9.071 726 H ALA 97 H ALA 97 -8.136 -19.133 -9.472 727 HA ALA 97 HA ALA 97 -9.918 -21.005 -8.436 728 HB1 ALA 97 3HB ALA 97 -8.398 -21.579 -10.944 729 HB2 ALA 97 1HB ALA 97 -10.104 -21.844 -10.579 730 HB3 ALA 97 2HB ALA 97 -9.508 -20.210 -10.877 731 H SER 98 H SER 98 -6.481 -21.353 -9.242 732 HA SER 98 HA SER 98 -6.483 -24.079 -8.200 733 HB2 SER 98 1HB SER 98 -4.514 -22.434 -9.763 734 HB3 SER 98 2HB SER 98 -3.989 -23.893 -8.923 735 HG SER 98 HG SER 98 -4.706 -24.134 -11.181 736 H GLY 99 H GLY 99 -6.306 -24.270 -6.064 737 HA2 GLY 99 1HA GLY 99 -4.021 -23.247 -4.691 738 HA3 GLY 99 2HA GLY 99 -5.477 -22.368 -4.248 739 HA PRO 100 HA PRO 100 -5.065 -26.023 -1.424 740 HB2 PRO 100 1HB PRO 100 -5.573 -24.624 0.846 741 HB3 PRO 100 2HB PRO 100 -3.955 -24.775 0.153 742 HG2 PRO 100 1HG PRO 100 -5.907 -22.517 -0.069 743 HG3 PRO 100 2HG PRO 100 -4.157 -22.459 0.210 744 HD2 PRO 100 1HD PRO 100 -5.260 -22.008 -2.222 745 HD3 PRO 100 2HD PRO 100 -3.664 -22.760 -2.022 746 H SER 101 H SER 101 -7.446 -23.572 -2.010 747 HA SER 101 HA SER 101 -9.593 -25.424 -1.786 748 HB2 SER 101 1HB SER 101 -10.770 -24.525 0.099 749 HB3 SER 101 2HB SER 101 -9.128 -24.881 0.636 750 HG SER 101 HG SER 101 -9.025 -22.869 1.195 751 H SER 102 H SER 102 -11.723 -24.352 -2.170 752 HA SER 102 HA SER 102 -11.492 -21.727 -3.452 753 HB2 SER 102 1HB SER 102 -12.528 -22.440 -5.477 754 HB3 SER 102 2HB SER 102 -11.234 -23.594 -5.157 755 HG SER 102 HG SER 102 -13.779 -24.117 -5.529 756 H GLY 103 H GLY 103 -13.488 -20.597 -3.678 757 HA2 GLY 103 1HA GLY 103 -16.001 -21.578 -2.938 758 HA3 GLY 103 2HA GLY 103 -15.244 -20.919 -1.496 Start of MODEL 2 1 H1 GLY 1 H GLY 1 12.355 38.889 8.438 2 HA2 GLY 1 1HA GLY 1 14.250 37.595 7.739 3 HA3 GLY 1 2HA GLY 1 13.188 36.207 7.558 4 H SER 2 H SER 2 13.210 35.646 5.483 5 HA SER 2 HA SER 2 12.401 37.622 3.502 6 HB2 SER 2 1HB SER 2 14.798 37.788 3.340 7 HB3 SER 2 2HB SER 2 14.969 36.033 3.316 8 HG SER 2 HG SER 2 14.008 37.756 1.309 9 H SER 3 H SER 3 10.886 36.784 2.237 10 HA SER 3 HA SER 3 9.750 34.328 2.466 11 HB2 SER 3 1HB SER 3 8.677 34.696 0.347 12 HB3 SER 3 2HB SER 3 8.873 36.268 1.121 13 HG SER 3 HG SER 3 9.547 35.858 -1.237 14 H GLY 4 H GLY 4 9.775 32.394 1.179 15 HA2 GLY 4 1HA GLY 4 12.476 31.801 0.147 16 HA3 GLY 4 2HA GLY 4 11.397 30.615 0.868 17 H SER 5 H SER 5 11.797 29.346 -1.054 18 HA SER 5 HA SER 5 10.704 30.347 -3.554 19 HB2 SER 5 1HB SER 5 12.820 28.865 -3.274 20 HB3 SER 5 2HB SER 5 11.674 27.534 -3.117 21 HG SER 5 HG SER 5 11.504 27.567 -5.199 22 H SER 6 H SER 6 9.110 29.110 -4.766 23 HA SER 6 HA SER 6 7.041 28.053 -2.980 24 HB2 SER 6 1HB SER 6 6.771 28.867 -5.882 25 HB3 SER 6 2HB SER 6 5.463 28.532 -4.747 26 HG SER 6 HG SER 6 6.019 30.368 -3.602 27 H GLY 7 H GLY 7 6.479 25.968 -2.982 28 HA2 GLY 7 1HA GLY 7 6.365 24.239 -5.139 29 HA3 GLY 7 2HA GLY 7 7.984 24.069 -4.476 30 HA PRO 8 HA PRO 8 4.712 22.565 -1.193 31 HB2 PRO 8 1HB PRO 8 2.391 21.686 -2.293 32 HB3 PRO 8 2HB PRO 8 2.620 23.346 -1.733 33 HG2 PRO 8 1HG PRO 8 2.782 22.246 -4.512 34 HG3 PRO 8 2HG PRO 8 2.021 23.744 -3.944 35 HD2 PRO 8 1HD PRO 8 4.459 23.705 -5.122 36 HD3 PRO 8 2HD PRO 8 4.025 24.881 -3.865 37 H ALA 9 H ALA 9 4.309 20.387 -0.573 38 HA ALA 9 HA ALA 9 5.641 18.455 -2.288 39 HB1 ALA 9 3HB ALA 9 4.526 17.830 0.419 40 HB2 ALA 9 1HB ALA 9 5.919 17.128 -0.404 41 HB3 ALA 9 2HB ALA 9 6.011 18.765 0.247 42 H ALA 10 H ALA 10 2.837 19.525 -2.750 43 HA ALA 10 HA ALA 10 0.837 17.726 -2.236 44 HB1 ALA 10 3HB ALA 10 -0.006 18.429 -4.597 45 HB2 ALA 10 1HB ALA 10 0.123 19.634 -3.315 46 HB3 ALA 10 2HB ALA 10 1.372 19.528 -4.557 47 H ILE 11 H ILE 11 -0.198 16.152 -3.740 48 HA ILE 11 HA ILE 11 1.847 14.339 -4.786 49 HB ILE 11 HB ILE 11 -1.084 13.809 -4.285 50 HG12 ILE 11 1HG1 ILE 11 1.235 12.813 -2.639 51 HG13 ILE 11 2HG1 ILE 11 0.420 14.329 -2.270 52 HG21 ILE 11 1HG2 ILE 11 -0.777 11.930 -5.422 53 HG22 ILE 11 2HG2 ILE 11 0.909 12.353 -5.711 54 HG23 ILE 11 3HG2 ILE 11 0.463 11.450 -4.264 55 HD11 ILE 11 3HD1 ILE 11 -1.334 11.995 -2.610 56 HD12 ILE 11 1HD1 ILE 11 -0.259 11.957 -1.212 57 HD13 ILE 11 2HD1 ILE 11 -1.385 13.298 -1.423 58 H ILE 12 H ILE 12 2.094 13.937 -6.893 59 HA ILE 12 HA ILE 12 0.193 15.179 -8.757 60 HB ILE 12 HB ILE 12 2.185 14.561 -10.393 61 HG12 ILE 12 1HG1 ILE 12 3.333 13.511 -8.272 62 HG13 ILE 12 2HG1 ILE 12 4.291 14.395 -9.454 63 HG21 ILE 12 1HG2 ILE 12 3.188 16.831 -9.795 64 HG22 ILE 12 2HG2 ILE 12 1.477 16.787 -10.218 65 HG23 ILE 12 3HG2 ILE 12 1.964 16.901 -8.527 66 HD11 ILE 12 3HD1 ILE 12 4.321 16.338 -8.058 67 HD12 ILE 12 1HD1 ILE 12 3.199 15.591 -6.920 68 HD13 ILE 12 2HD1 ILE 12 4.830 14.944 -7.106 69 H LYS 13 H LYS 13 1.807 12.156 -7.976 70 HA LYS 13 HA LYS 13 0.185 10.794 -10.022 71 HB2 LYS 13 1HB LYS 13 2.745 9.934 -8.664 72 HB3 LYS 13 2HB LYS 13 1.818 8.920 -9.762 73 HG2 LYS 13 1HG LYS 13 2.142 10.640 -11.527 74 HG3 LYS 13 2HG LYS 13 3.203 11.511 -10.417 75 HD2 LYS 13 1HD LYS 13 4.752 9.691 -10.360 76 HD3 LYS 13 2HD LYS 13 3.640 8.645 -11.245 77 HE2 LYS 13 1HE LYS 13 4.816 11.187 -12.357 78 HE3 LYS 13 2HE LYS 13 5.505 9.586 -12.619 79 HZ1 LYS 13 3HZ LYS 13 4.186 9.562 -14.405 80 HZ2 LYS 13 1HZ LYS 13 3.206 10.821 -13.842 81 HZ3 LYS 13 2HZ LYS 13 2.928 9.236 -13.323 82 HA PRO 14 HA PRO 14 -1.984 9.533 -6.235 83 HB2 PRO 14 1HB PRO 14 -4.280 8.873 -7.526 84 HB3 PRO 14 2HB PRO 14 -3.875 10.533 -7.074 85 HG2 PRO 14 1HG PRO 14 -3.583 9.167 -9.721 86 HG3 PRO 14 2HG PRO 14 -4.176 10.799 -9.364 87 HD2 PRO 14 1HD PRO 14 -1.660 10.324 -10.244 88 HD3 PRO 14 2HD PRO 14 -2.050 11.660 -9.141 89 H LEU 15 H LEU 15 -2.917 7.487 -5.568 90 HA LEU 15 HA LEU 15 -1.471 5.256 -6.583 91 HB2 LEU 15 1HB LEU 15 -3.831 5.178 -4.718 92 HB3 LEU 15 2HB LEU 15 -2.549 3.979 -4.882 93 HG LEU 15 HG LEU 15 -1.816 6.734 -4.016 94 HD11 LEU 15 1HD1 LEU 15 -3.228 4.692 -2.320 95 HD12 LEU 15 2HD1 LEU 15 -3.649 6.386 -2.568 96 HD13 LEU 15 3HD1 LEU 15 -2.207 5.962 -1.645 97 HD21 LEU 15 3HD2 LEU 15 -0.463 4.357 -4.375 98 HD22 LEU 15 1HD2 LEU 15 -0.707 4.433 -2.630 99 HD23 LEU 15 2HD2 LEU 15 0.110 5.755 -3.464 100 H GLU 16 H GLU 16 -2.730 3.124 -6.973 101 HA GLU 16 HA GLU 16 -5.122 3.591 -8.601 102 HB2 GLU 16 1HB GLU 16 -2.694 2.044 -9.524 103 HB3 GLU 16 2HB GLU 16 -4.226 2.132 -10.382 104 HG2 GLU 16 1HG GLU 16 -3.855 4.671 -10.371 105 HG3 GLU 16 2HG GLU 16 -2.187 4.280 -9.957 106 H ASP 17 H ASP 17 -6.528 1.842 -8.755 107 HA ASP 17 HA ASP 17 -6.744 0.158 -6.570 108 HB2 ASP 17 1HB ASP 17 -7.894 -0.058 -9.351 109 HB3 ASP 17 2HB ASP 17 -8.312 -1.186 -8.065 110 H GLN 18 H GLN 18 -5.773 -1.662 -5.967 111 HA GLN 18 HA GLN 18 -3.975 -2.975 -7.867 112 HB2 GLN 18 1HB GLN 18 -4.160 -3.028 -4.859 113 HB3 GLN 18 2HB GLN 18 -3.126 -4.127 -5.762 114 HG2 GLN 18 1HG GLN 18 -2.952 -1.124 -5.704 115 HG3 GLN 18 2HG GLN 18 -1.832 -2.268 -4.966 116 HE21 GLN 18 1HE2 GLN 18 -0.909 -0.354 -6.666 117 HE22 GLN 18 2HE2 GLN 18 -0.382 -1.079 -8.142 118 H TRP 19 H TRP 19 -4.007 -5.204 -8.220 119 HA TRP 19 HA TRP 19 -6.370 -6.639 -7.216 120 HB2 TRP 19 1HB TRP 19 -5.484 -6.251 -10.048 121 HB3 TRP 19 2HB TRP 19 -6.280 -7.757 -9.598 122 HD1 TRP 19 HD TRP 19 -8.839 -7.507 -8.609 123 HE1 TRP 19 1HE TRP 19 -10.655 -5.775 -9.182 124 HE3 TRP 19 3HE TRP 19 -5.887 -3.900 -10.709 125 HZ2 TRP 19 2HZ TRP 19 -10.814 -3.218 -10.368 126 HZ3 TRP 19 3HZ TRP 19 -6.949 -1.841 -11.539 127 HH2 TRP 19 HH TRP 19 -9.362 -1.510 -11.371 128 H VAL 20 H VAL 20 -5.247 -7.899 -5.782 129 HA VAL 20 HA VAL 20 -3.283 -9.753 -6.963 130 HB VAL 20 HB VAL 20 -2.075 -9.828 -4.870 131 HG11 VAL 20 1HG1 VAL 20 -2.245 -7.564 -6.554 132 HG12 VAL 20 2HG1 VAL 20 -2.024 -6.979 -4.904 133 HG13 VAL 20 3HG1 VAL 20 -0.868 -8.115 -5.600 134 HG21 VAL 20 3HG2 VAL 20 -4.129 -7.853 -3.879 135 HG22 VAL 20 1HG2 VAL 20 -3.889 -9.506 -3.313 136 HG23 VAL 20 2HG2 VAL 20 -2.650 -8.286 -3.020 137 H ALA 21 H ALA 21 -2.958 -11.596 -5.108 138 HA ALA 21 HA ALA 21 -5.662 -12.685 -4.703 139 HB1 ALA 21 3HB ALA 21 -4.919 -14.595 -5.553 140 HB2 ALA 21 1HB ALA 21 -3.391 -13.793 -5.916 141 HB3 ALA 21 2HB ALA 21 -3.596 -14.651 -4.388 142 HA PRO 22 HA PRO 22 -5.242 -12.859 -0.339 143 HB2 PRO 22 1HB PRO 22 -6.209 -15.318 0.285 144 HB3 PRO 22 2HB PRO 22 -7.240 -13.992 -0.267 145 HG2 PRO 22 1HG PRO 22 -6.135 -16.303 -1.816 146 HG3 PRO 22 2HG PRO 22 -7.763 -15.602 -1.861 147 HD2 PRO 22 1HD PRO 22 -5.890 -15.056 -3.738 148 HD3 PRO 22 2HD PRO 22 -7.117 -13.873 -3.242 149 H GLY 23 H GLY 23 -2.907 -12.815 -0.308 150 HA2 GLY 23 1HA GLY 23 -1.517 -14.286 1.329 151 HA3 GLY 23 2HA GLY 23 -1.599 -15.427 -0.005 152 H GLU 24 H GLU 24 -1.563 -12.728 -1.662 153 HA GLU 24 HA GLU 24 1.324 -12.807 -2.028 154 HB2 GLU 24 1HB GLU 24 -0.535 -11.090 -3.637 155 HB3 GLU 24 2HB GLU 24 0.980 -11.838 -4.122 156 HG2 GLU 24 1HG GLU 24 -0.258 -14.065 -3.814 157 HG3 GLU 24 2HG GLU 24 -1.724 -13.086 -3.835 158 H ASP 25 H ASP 25 2.258 -10.533 -2.685 159 HA ASP 25 HA ASP 25 1.711 -8.764 -0.410 160 HB2 ASP 25 1HB ASP 25 3.936 -7.766 -0.967 161 HB3 ASP 25 2HB ASP 25 4.008 -9.473 -0.538 162 H VAL 26 H VAL 26 1.446 -6.530 -0.680 163 HA VAL 26 HA VAL 26 0.738 -5.700 -3.420 164 HB VAL 26 HB VAL 26 -0.582 -5.003 -0.803 165 HG11 VAL 26 1HG1 VAL 26 -0.416 -2.910 -1.868 166 HG12 VAL 26 2HG1 VAL 26 -0.756 -3.600 -3.456 167 HG13 VAL 26 3HG1 VAL 26 -2.035 -3.498 -2.245 168 HG21 VAL 26 3HG2 VAL 26 -1.116 -6.928 -2.746 169 HG22 VAL 26 1HG2 VAL 26 -2.186 -6.405 -1.445 170 HG23 VAL 26 2HG2 VAL 26 -2.295 -5.649 -3.035 171 H GLU 27 H GLU 27 1.249 -3.594 -4.057 172 HA GLU 27 HA GLU 27 2.893 -2.005 -2.222 173 HB2 GLU 27 1HB GLU 27 3.689 -2.817 -5.022 174 HB3 GLU 27 2HB GLU 27 4.506 -1.574 -4.085 175 HG2 GLU 27 1HG GLU 27 5.092 -3.229 -2.392 176 HG3 GLU 27 2HG GLU 27 4.266 -4.477 -3.324 177 H LEU 28 H LEU 28 2.277 0.050 -2.201 178 HA LEU 28 HA LEU 28 0.859 1.113 -4.556 179 HB2 LEU 28 1HB LEU 28 0.356 1.763 -1.655 180 HB3 LEU 28 2HB LEU 28 -0.471 2.490 -3.032 181 HG LEU 28 HG LEU 28 -0.603 -0.466 -2.555 182 HD11 LEU 28 1HD1 LEU 28 -1.852 -0.257 -0.739 183 HD12 LEU 28 2HD1 LEU 28 -2.935 0.854 -1.577 184 HD13 LEU 28 3HD1 LEU 28 -1.519 1.475 -0.729 185 HD21 LEU 28 3HD2 LEU 28 -1.367 0.690 -4.695 186 HD22 LEU 28 1HD2 LEU 28 -2.667 1.378 -3.721 187 HD23 LEU 28 2HD2 LEU 28 -2.527 -0.372 -3.895 188 H ARG 29 H ARG 29 2.698 2.072 -5.428 189 HA ARG 29 HA ARG 29 4.217 3.953 -3.815 190 HB2 ARG 29 1HB ARG 29 4.511 3.314 -6.754 191 HB3 ARG 29 2HB ARG 29 5.670 4.161 -5.738 192 HG2 ARG 29 1HG ARG 29 5.928 2.094 -4.395 193 HG3 ARG 29 2HG ARG 29 4.870 1.267 -5.540 194 HD2 ARG 29 1HD ARG 29 7.297 2.730 -6.501 195 HD3 ARG 29 2HD ARG 29 7.446 1.108 -5.827 196 HE ARG 29 HE ARG 29 6.401 0.253 -7.698 197 HH11 ARG 29 2HH1 ARG 29 6.212 3.730 -7.699 198 HH12 ARG 29 1HH1 ARG 29 5.654 3.829 -9.336 199 HH21 ARG 29 2HH2 ARG 29 5.666 0.371 -9.855 200 HH22 ARG 29 1HH2 ARG 29 5.343 1.918 -10.561 201 H CYS 30 H CYS 30 4.457 6.171 -4.343 202 HA CYS 30 HA CYS 30 2.486 7.309 -6.180 203 HB2 CYS 30 1HB CYS 30 1.502 8.737 -4.608 204 HB3 CYS 30 2HB CYS 30 1.632 7.209 -3.746 205 HG CYS 30 HG CYS 30 2.207 9.351 -2.009 206 H GLU 31 H GLU 31 2.831 9.916 -5.908 207 HA GLU 31 HA GLU 31 5.722 10.428 -5.935 208 HB2 GLU 31 1HB GLU 31 4.742 10.044 -8.266 209 HB3 GLU 31 2HB GLU 31 3.881 11.559 -8.035 210 HG2 GLU 31 1HG GLU 31 5.802 12.823 -8.111 211 HG3 GLU 31 2HG GLU 31 6.834 11.473 -7.642 212 H LEU 32 H LEU 32 6.344 12.488 -5.324 213 HA LEU 32 HA LEU 32 4.203 14.330 -4.506 214 HB2 LEU 32 1HB LEU 32 6.678 13.969 -2.859 215 HB3 LEU 32 2HB LEU 32 5.144 14.710 -2.405 216 HG LEU 32 HG LEU 32 5.385 11.765 -2.959 217 HD11 LEU 32 1HD1 LEU 32 6.084 11.295 -0.852 218 HD12 LEU 32 2HD1 LEU 32 5.382 12.761 -0.169 219 HD13 LEU 32 3HD1 LEU 32 6.901 12.844 -1.062 220 HD21 LEU 32 3HD2 LEU 32 3.159 12.083 -2.824 221 HD22 LEU 32 1HD2 LEU 32 3.322 13.617 -1.969 222 HD23 LEU 32 2HD2 LEU 32 3.468 12.097 -1.087 223 H SER 33 H SER 33 4.516 16.394 -5.077 224 HA SER 33 HA SER 33 6.418 17.181 -6.909 225 HB2 SER 33 1HB SER 33 4.596 18.620 -6.765 226 HB3 SER 33 2HB SER 33 4.667 18.699 -5.005 227 HG SER 33 HG SER 33 6.490 19.887 -6.829 228 H ARG 34 H ARG 34 6.650 17.037 -3.442 229 HA ARG 34 HA ARG 34 9.455 17.890 -3.640 230 HB2 ARG 34 1HB ARG 34 8.234 19.782 -2.733 231 HB3 ARG 34 2HB ARG 34 7.474 18.752 -1.526 232 HG2 ARG 34 1HG ARG 34 10.442 18.895 -1.599 233 HG3 ARG 34 2HG ARG 34 9.541 20.260 -0.937 234 HD2 ARG 34 1HD ARG 34 8.334 18.610 0.530 235 HD3 ARG 34 2HD ARG 34 9.490 17.394 -0.015 236 HE ARG 34 HE ARG 34 11.083 18.343 1.336 237 HH11 ARG 34 2HH1 ARG 34 8.371 20.507 1.045 238 HH12 ARG 34 1HH1 ARG 34 8.936 21.590 2.274 239 HH21 ARG 34 2HH2 ARG 34 11.837 19.762 2.956 240 HH22 ARG 34 1HH2 ARG 34 10.908 21.165 3.359 241 H ALA 35 H ALA 35 10.889 16.812 -2.319 242 HA ALA 35 HA ALA 35 9.853 14.360 -1.106 243 HB1 ALA 35 3HB ALA 35 12.205 15.023 -2.581 244 HB2 ALA 35 1HB ALA 35 12.672 14.400 -0.999 245 HB3 ALA 35 2HB ALA 35 11.634 13.440 -2.054 246 H GLY 36 H GLY 36 9.692 14.123 1.027 247 HA2 GLY 36 1HA GLY 36 11.192 14.457 3.104 248 HA3 GLY 36 2HA GLY 36 10.946 16.159 2.742 249 H THR 37 H THR 37 8.164 15.608 1.829 250 HA THR 37 HA THR 37 6.913 15.910 4.403 251 HB THR 37 HB THR 37 5.842 15.940 1.586 252 HG1 THR 37 1HG THR 37 6.048 17.915 3.635 253 HG21 THR 37 3HG2 THR 37 3.911 15.202 2.522 254 HG22 THR 37 1HG2 THR 37 3.774 16.887 3.021 255 HG23 THR 37 2HG2 THR 37 4.391 15.681 4.150 256 HA PRO 38 HA PRO 38 6.065 11.572 4.897 257 HB2 PRO 38 1HB PRO 38 4.581 11.821 7.157 258 HB3 PRO 38 2HB PRO 38 6.345 11.936 7.149 259 HG2 PRO 38 1HG PRO 38 4.304 14.126 7.182 260 HG3 PRO 38 2HG PRO 38 5.810 13.986 8.108 261 HD2 PRO 38 1HD PRO 38 5.603 15.522 5.888 262 HD3 PRO 38 2HD PRO 38 7.110 14.701 6.343 263 H VAL 39 H VAL 39 4.382 10.197 4.453 264 HA VAL 39 HA VAL 39 1.898 11.467 3.541 265 HB VAL 39 HB VAL 39 3.308 9.947 2.021 266 HG11 VAL 39 1HG1 VAL 39 2.774 7.540 2.219 267 HG12 VAL 39 2HG1 VAL 39 3.720 8.148 3.579 268 HG13 VAL 39 3HG1 VAL 39 1.988 7.868 3.763 269 HG21 VAL 39 3HG2 VAL 39 1.353 10.373 0.985 270 HG22 VAL 39 1HG2 VAL 39 0.980 8.705 1.419 271 HG23 VAL 39 2HG2 VAL 39 0.394 10.029 2.425 272 H HIS 40 H HIS 40 -0.125 10.709 4.169 273 HA HIS 40 HA HIS 40 -0.116 9.133 6.652 274 HB2 HIS 40 1HB HIS 40 -1.121 11.578 6.375 275 HB3 HIS 40 2HB HIS 40 -2.517 10.678 5.788 276 HD1 HIS 40 1HD HIS 40 -4.029 11.116 7.770 277 HD2 HIS 40 2HD HIS 40 -0.379 9.448 8.845 278 HE1 HIS 40 1HE HIS 40 -4.262 10.494 10.196 279 HE2 HIS 40 2HE HIS 40 -2.014 9.565 10.847 280 H TRP 41 H TRP 41 -0.462 7.050 6.193 281 HA TRP 41 HA TRP 41 -2.244 6.287 4.028 282 HB2 TRP 41 1HB TRP 41 -0.533 4.643 5.903 283 HB3 TRP 41 2HB TRP 41 -1.525 3.965 4.615 284 HD1 TRP 41 HD TRP 41 1.740 5.815 5.221 285 HE1 TRP 41 1HE TRP 41 3.097 5.857 3.034 286 HE3 TRP 41 3HE TRP 41 -1.807 3.980 2.030 287 HZ2 TRP 41 2HZ TRP 41 2.714 5.200 0.316 288 HZ3 TRP 41 3HZ TRP 41 -1.232 3.718 -0.348 289 HH2 TRP 41 HH TRP 41 0.982 4.316 -1.185 290 H LEU 42 H LEU 42 -4.353 6.363 4.471 291 HA LEU 42 HA LEU 42 -5.272 5.387 7.092 292 HB2 LEU 42 1HB LEU 42 -6.737 7.147 5.133 293 HB3 LEU 42 2HB LEU 42 -7.282 6.691 6.746 294 HG LEU 42 HG LEU 42 -4.709 8.167 6.487 295 HD11 LEU 42 1HD1 LEU 42 -5.686 9.819 5.343 296 HD12 LEU 42 2HD1 LEU 42 -6.531 10.174 6.849 297 HD13 LEU 42 3HD1 LEU 42 -7.306 9.179 5.617 298 HD21 LEU 42 3HD2 LEU 42 -5.678 9.205 8.591 299 HD22 LEU 42 1HD2 LEU 42 -5.257 7.495 8.676 300 HD23 LEU 42 2HD2 LEU 42 -6.943 7.979 8.491 301 H LYS 43 H LYS 43 -6.176 3.449 7.109 302 HA LYS 43 HA LYS 43 -7.343 2.410 4.615 303 HB2 LYS 43 1HB LYS 43 -5.577 0.989 5.309 304 HB3 LYS 43 2HB LYS 43 -6.096 1.035 6.988 305 HG2 LYS 43 1HG LYS 43 -7.803 -0.470 6.644 306 HG3 LYS 43 2HG LYS 43 -7.912 -0.113 4.919 307 HD2 LYS 43 1HD LYS 43 -5.759 -1.229 4.559 308 HD3 LYS 43 2HD LYS 43 -5.661 -1.591 6.284 309 HE2 LYS 43 1HE LYS 43 -7.982 -2.483 4.599 310 HE3 LYS 43 2HE LYS 43 -6.506 -3.438 4.729 311 HZ1 LYS 43 3HZ LYS 43 -7.141 -4.194 6.699 312 HZ2 LYS 43 1HZ LYS 43 -8.648 -3.466 6.453 313 HZ3 LYS 43 2HZ LYS 43 -7.435 -2.637 7.291 314 H ASP 44 H ASP 44 -9.458 2.932 4.660 315 HA ASP 44 HA ASP 44 -11.656 2.857 5.245 316 HB2 ASP 44 1HB ASP 44 -10.746 0.821 7.291 317 HB3 ASP 44 2HB ASP 44 -12.409 1.101 6.780 318 H ARG 45 H ARG 45 -10.411 5.007 6.177 319 HA ARG 45 HA ARG 45 -10.482 6.674 7.723 320 HB2 ARG 45 1HB ARG 45 -12.842 5.105 8.777 321 HB3 ARG 45 2HB ARG 45 -12.468 6.779 9.163 322 HG2 ARG 45 1HG ARG 45 -12.814 6.006 6.310 323 HG3 ARG 45 2HG ARG 45 -14.240 6.177 7.334 324 HD2 ARG 45 1HD ARG 45 -14.073 8.320 6.578 325 HD3 ARG 45 2HD ARG 45 -13.037 8.438 8.000 326 HE ARG 45 HE ARG 45 -11.412 7.699 5.881 327 HH11 ARG 45 2HH1 ARG 45 -13.432 10.392 6.769 328 HH12 ARG 45 1HH1 ARG 45 -12.488 11.555 5.898 329 HH21 ARG 45 2HH2 ARG 45 -10.161 9.221 4.731 330 HH22 ARG 45 1HH2 ARG 45 -10.628 10.888 4.738 331 H LYS 46 H LYS 46 -8.604 4.771 8.274 332 HA LYS 46 HA LYS 46 -8.433 4.974 11.168 333 HB2 LYS 46 1HB LYS 46 -8.413 2.348 9.688 334 HB3 LYS 46 2HB LYS 46 -7.692 2.535 11.281 335 HG2 LYS 46 1HG LYS 46 -10.581 3.027 10.583 336 HG3 LYS 46 2HG LYS 46 -9.939 1.613 11.423 337 HD2 LYS 46 1HD LYS 46 -9.035 3.246 13.153 338 HD3 LYS 46 2HD LYS 46 -10.058 4.462 12.384 339 HE2 LYS 46 1HE LYS 46 -12.018 3.395 13.017 340 HE3 LYS 46 2HE LYS 46 -11.218 1.840 13.239 341 HZ1 LYS 46 3HZ LYS 46 -10.001 2.992 15.137 342 HZ2 LYS 46 1HZ LYS 46 -11.627 2.598 15.384 343 HZ3 LYS 46 2HZ LYS 46 -11.189 4.191 15.026 344 H ALA 47 H ALA 47 -6.483 5.723 11.644 345 HA ALA 47 HA ALA 47 -4.426 6.015 9.748 346 HB1 ALA 47 3HB ALA 47 -4.721 7.477 11.713 347 HB2 ALA 47 1HB ALA 47 -4.190 6.153 12.751 348 HB3 ALA 47 2HB ALA 47 -3.078 6.849 11.572 349 H ILE 48 H ILE 48 -2.910 4.653 9.067 350 HA ILE 48 HA ILE 48 -2.665 2.049 10.334 351 HB ILE 48 HB ILE 48 -1.234 3.041 7.870 352 HG12 ILE 48 1HG1 ILE 48 -3.835 1.503 8.030 353 HG13 ILE 48 2HG1 ILE 48 -3.709 3.217 7.652 354 HG21 ILE 48 1HG2 ILE 48 -1.346 0.510 9.332 355 HG22 ILE 48 2HG2 ILE 48 -1.623 0.354 7.598 356 HG23 ILE 48 3HG2 ILE 48 -0.144 1.110 8.190 357 HD11 ILE 48 3HD1 ILE 48 -3.807 2.416 5.547 358 HD12 ILE 48 1HD1 ILE 48 -2.067 2.263 5.788 359 HD13 ILE 48 2HD1 ILE 48 -3.112 0.856 5.987 360 H ARG 49 H ARG 49 -0.726 1.164 11.089 361 HA ARG 49 HA ARG 49 1.324 3.159 11.788 362 HB2 ARG 49 1HB ARG 49 0.221 0.792 13.252 363 HB3 ARG 49 2HB ARG 49 1.865 1.321 13.582 364 HG2 ARG 49 1HG ARG 49 1.030 3.545 14.167 365 HG3 ARG 49 2HG ARG 49 -0.618 3.002 13.850 366 HD2 ARG 49 1HD ARG 49 -0.262 1.228 15.589 367 HD3 ARG 49 2HD ARG 49 1.264 2.015 15.984 368 HE ARG 49 HE ARG 49 0.099 3.675 17.060 369 HH11 ARG 49 2HH1 ARG 49 -2.095 1.766 15.145 370 HH12 ARG 49 1HH1 ARG 49 -3.518 2.495 15.812 371 HH21 ARG 49 2HH2 ARG 49 -1.767 4.643 17.945 372 HH22 ARG 49 1HH2 ARG 49 -3.330 4.132 17.404 373 H LYS 50 H LYS 50 3.386 2.832 11.189 374 HA LYS 50 HA LYS 50 4.012 0.896 9.235 375 HB2 LYS 50 1HB LYS 50 5.172 3.033 9.328 376 HB3 LYS 50 2HB LYS 50 5.826 2.639 10.912 377 HG2 LYS 50 1HG LYS 50 6.797 0.562 9.595 378 HG3 LYS 50 2HG LYS 50 6.628 1.666 8.228 379 HD2 LYS 50 1HD LYS 50 7.908 2.681 10.717 380 HD3 LYS 50 2HD LYS 50 8.834 1.592 9.682 381 HE2 LYS 50 1HE LYS 50 7.417 3.893 8.432 382 HE3 LYS 50 2HE LYS 50 8.898 4.205 9.336 383 HZ1 LYS 50 3HZ LYS 50 9.012 2.010 7.439 384 HZ2 LYS 50 1HZ LYS 50 10.159 3.205 7.785 385 HZ3 LYS 50 2HZ LYS 50 8.859 3.552 6.761 386 H SER 51 H SER 51 4.162 -1.212 9.619 387 HA SER 51 HA SER 51 5.987 -2.171 11.649 388 HB2 SER 51 1HB SER 51 3.697 -1.909 12.753 389 HB3 SER 51 2HB SER 51 3.157 -3.219 11.703 390 HG SER 51 HG SER 51 4.600 -3.339 13.983 391 H GLN 52 H GLN 52 6.112 -4.633 11.560 392 HA GLN 52 HA GLN 52 7.026 -5.582 9.245 393 HB2 GLN 52 1HB GLN 52 6.383 -7.863 9.951 394 HB3 GLN 52 2HB GLN 52 7.074 -6.920 11.264 395 HG2 GLN 52 1HG GLN 52 4.779 -6.440 12.061 396 HG3 GLN 52 2HG GLN 52 4.160 -7.515 10.809 397 HE21 GLN 52 1HE2 GLN 52 3.967 -9.597 11.271 398 HE22 GLN 52 2HE2 GLN 52 4.645 -10.389 12.649 399 H LYS 53 H LYS 53 3.615 -5.341 10.072 400 HA LYS 53 HA LYS 53 2.648 -6.726 7.785 401 HB2 LYS 53 1HB LYS 53 1.236 -6.513 9.725 402 HB3 LYS 53 2HB LYS 53 1.325 -4.758 9.656 403 HG2 LYS 53 1HG LYS 53 -0.816 -5.738 8.833 404 HG3 LYS 53 2HG LYS 53 0.008 -4.686 7.680 405 HD2 LYS 53 1HD LYS 53 0.528 -6.408 6.272 406 HD3 LYS 53 2HD LYS 53 0.612 -7.593 7.578 407 HE2 LYS 53 1HE LYS 53 -1.306 -8.175 6.359 408 HE3 LYS 53 2HE LYS 53 -1.914 -7.311 7.770 409 HZ1 LYS 53 3HZ LYS 53 -3.013 -6.056 6.321 410 HZ2 LYS 53 1HZ LYS 53 -2.139 -6.646 4.998 411 HZ3 LYS 53 2HZ LYS 53 -1.529 -5.358 5.908 412 H TYR 54 H TYR 54 2.580 -3.245 8.578 413 HA TYR 54 HA TYR 54 2.484 -2.685 5.691 414 HB2 TYR 54 1HB TYR 54 1.681 -0.876 7.978 415 HB3 TYR 54 2HB TYR 54 1.478 -0.542 6.262 416 HD1 TYR 54 2HD TYR 54 0.041 -2.298 4.941 417 HD2 TYR 54 1HD TYR 54 -0.088 -1.787 9.163 418 HE1 TYR 54 2HE TYR 54 -2.181 -3.351 4.994 419 HE2 TYR 54 1HE TYR 54 -2.310 -2.840 9.228 420 HH TYR 54 HH TYR 54 -4.292 -3.097 6.924 421 H ASP 55 H ASP 55 4.252 -1.889 4.787 422 HA ASP 55 HA ASP 55 6.253 -0.588 6.512 423 HB2 ASP 55 1HB ASP 55 6.651 -1.979 3.854 424 HB3 ASP 55 2HB ASP 55 7.920 -1.243 4.828 425 H VAL 56 H VAL 56 6.246 1.547 6.344 426 HA VAL 56 HA VAL 56 5.269 2.829 3.917 427 HB VAL 56 HB VAL 56 6.204 4.180 6.447 428 HG11 VAL 56 1HG1 VAL 56 4.111 5.560 5.148 429 HG12 VAL 56 2HG1 VAL 56 5.798 6.050 5.322 430 HG13 VAL 56 3HG1 VAL 56 5.289 5.119 3.912 431 HG21 VAL 56 3HG2 VAL 56 3.313 3.851 5.955 432 HG22 VAL 56 1HG2 VAL 56 4.189 2.398 6.438 433 HG23 VAL 56 2HG2 VAL 56 4.218 3.829 7.469 434 H VAL 57 H VAL 57 6.776 2.870 2.348 435 HA VAL 57 HA VAL 57 9.513 3.682 3.042 436 HB VAL 57 HB VAL 57 8.467 2.430 0.499 437 HG11 VAL 57 1HG1 VAL 57 11.357 2.717 1.230 438 HG12 VAL 57 2HG1 VAL 57 10.628 2.439 -0.353 439 HG13 VAL 57 3HG1 VAL 57 10.501 4.023 0.412 440 HG21 VAL 57 3HG2 VAL 57 8.860 0.426 1.393 441 HG22 VAL 57 1HG2 VAL 57 10.441 0.928 1.991 442 HG23 VAL 57 2HG2 VAL 57 8.995 1.239 2.952 443 H CYS 58 H CYS 58 9.510 5.873 3.088 444 HA CYS 58 HA CYS 58 8.448 7.282 0.732 445 HB2 CYS 58 1HB CYS 58 7.369 8.007 2.771 446 HB3 CYS 58 2HB CYS 58 8.925 8.265 3.550 447 HG CYS 58 HG CYS 58 7.458 10.146 1.117 448 H GLU 59 H GLU 59 10.119 7.388 -0.669 449 HA GLU 59 HA GLU 59 12.445 8.939 0.165 450 HB2 GLU 59 1HB GLU 59 12.517 6.121 -0.831 451 HB3 GLU 59 2HB GLU 59 13.816 7.216 -1.282 452 HG2 GLU 59 1HG GLU 59 13.031 6.963 1.583 453 HG3 GLU 59 2HG GLU 59 14.029 5.718 0.833 454 H GLY 60 H GLY 60 13.590 9.916 -1.587 455 HA2 GLY 60 1HA GLY 60 13.426 11.267 -3.469 456 HA3 GLY 60 2HA GLY 60 13.354 9.694 -4.251 457 H THR 61 H THR 61 11.069 11.646 -2.331 458 HA THR 61 HA THR 61 8.855 12.104 -2.652 459 HB THR 61 HB THR 61 8.258 12.954 -4.915 460 HG1 THR 61 1HG THR 61 9.807 12.908 -6.533 461 HG21 THR 61 3HG2 THR 61 10.922 13.969 -3.922 462 HG22 THR 61 1HG2 THR 61 9.361 14.391 -3.220 463 HG23 THR 61 2HG2 THR 61 9.741 14.864 -4.876 464 H MET 62 H MET 62 9.252 9.405 -2.483 465 HA MET 62 HA MET 62 7.121 8.413 -4.217 466 HB2 MET 62 1HB MET 62 9.097 7.715 -5.395 467 HB3 MET 62 2HB MET 62 9.827 7.109 -3.915 468 HG2 MET 62 1HG MET 62 7.694 5.582 -3.870 469 HG3 MET 62 2HG MET 62 7.685 5.925 -5.598 470 HE1 MET 62 3HE MET 62 9.540 4.950 -2.615 471 HE2 MET 62 1HE MET 62 9.829 3.259 -3.024 472 HE3 MET 62 2HE MET 62 11.129 4.438 -3.186 473 H ALA 63 H ALA 63 5.628 7.991 -2.705 474 HA ALA 63 HA ALA 63 6.429 6.688 -0.210 475 HB1 ALA 63 3HB ALA 63 4.582 7.579 0.770 476 HB2 ALA 63 1HB ALA 63 4.787 8.753 -0.531 477 HB3 ALA 63 2HB ALA 63 3.606 7.452 -0.693 478 H MET 64 H MET 64 6.423 4.542 -0.185 479 HA MET 64 HA MET 64 4.344 3.128 -1.722 480 HB2 MET 64 1HB MET 64 6.693 2.802 -2.537 481 HB3 MET 64 2HB MET 64 7.075 2.065 -0.986 482 HG2 MET 64 1HG MET 64 5.465 0.301 -1.400 483 HG3 MET 64 2HG MET 64 5.008 1.055 -2.926 484 HE1 MET 64 3HE MET 64 8.331 0.374 -1.059 485 HE2 MET 64 1HE MET 64 7.666 -1.259 -1.111 486 HE3 MET 64 2HE MET 64 9.105 -0.863 -2.051 487 H LEU 65 H LEU 65 3.122 1.626 -0.696 488 HA LEU 65 HA LEU 65 3.719 1.133 2.147 489 HB2 LEU 65 1HB LEU 65 1.774 2.584 1.843 490 HB3 LEU 65 2HB LEU 65 1.023 1.364 0.816 491 HG LEU 65 HG LEU 65 0.971 -0.165 2.783 492 HD11 LEU 65 1HD1 LEU 65 2.528 0.477 4.318 493 HD12 LEU 65 2HD1 LEU 65 1.106 1.266 4.999 494 HD13 LEU 65 3HD1 LEU 65 2.257 2.198 4.042 495 HD21 LEU 65 3HD2 LEU 65 -0.768 1.795 2.062 496 HD22 LEU 65 1HD2 LEU 65 -0.493 2.180 3.761 497 HD23 LEU 65 2HD2 LEU 65 -1.080 0.581 3.304 498 H VAL 66 H VAL 66 4.626 -0.853 2.099 499 HA VAL 66 HA VAL 66 3.609 -2.945 0.390 500 HB VAL 66 HB VAL 66 5.616 -3.266 2.616 501 HG11 VAL 66 1HG1 VAL 66 6.212 -4.842 0.362 502 HG12 VAL 66 2HG1 VAL 66 5.630 -5.381 1.939 503 HG13 VAL 66 3HG1 VAL 66 4.481 -5.012 0.653 504 HG21 VAL 66 3HG2 VAL 66 6.001 -2.233 -0.181 505 HG22 VAL 66 1HG2 VAL 66 6.512 -1.501 1.340 506 HG23 VAL 66 2HG2 VAL 66 7.313 -2.957 0.749 507 H ILE 67 H ILE 67 2.149 -4.447 0.901 508 HA ILE 67 HA ILE 67 1.337 -4.684 3.725 509 HB ILE 67 HB ILE 67 -0.395 -5.134 1.293 510 HG12 ILE 67 1HG1 ILE 67 -0.865 -2.936 3.259 511 HG13 ILE 67 2HG1 ILE 67 0.391 -2.715 2.046 512 HG21 ILE 67 1HG2 ILE 67 -1.532 -6.386 2.770 513 HG22 ILE 67 2HG2 ILE 67 -0.719 -5.667 4.159 514 HG23 ILE 67 3HG2 ILE 67 -2.075 -4.832 3.401 515 HD11 ILE 67 3HD1 ILE 67 -2.007 -1.878 1.577 516 HD12 ILE 67 1HD1 ILE 67 -1.114 -2.707 0.303 517 HD13 ILE 67 2HD1 ILE 67 -2.344 -3.573 1.223 518 H ARG 68 H ARG 68 2.817 -6.379 4.111 519 HA ARG 68 HA ARG 68 3.131 -8.683 2.586 520 HB2 ARG 68 1HB ARG 68 3.582 -7.976 5.442 521 HB3 ARG 68 2HB ARG 68 3.593 -9.682 5.016 522 HG2 ARG 68 1HG ARG 68 5.835 -8.882 4.955 523 HG3 ARG 68 2HG ARG 68 5.315 -9.175 3.295 524 HD2 ARG 68 1HD ARG 68 6.266 -7.121 3.028 525 HD3 ARG 68 2HD ARG 68 4.627 -6.625 3.449 526 HE ARG 68 HE ARG 68 5.507 -5.620 5.286 527 HH11 ARG 68 2HH1 ARG 68 7.617 -8.230 4.358 528 HH12 ARG 68 1HH1 ARG 68 8.779 -7.905 5.601 529 HH21 ARG 68 2HH2 ARG 68 7.031 -5.183 6.926 530 HH22 ARG 68 1HH2 ARG 68 8.445 -6.172 7.062 531 H GLY 69 H GLY 69 2.031 -10.560 2.368 532 HA2 GLY 69 1HA GLY 69 0.211 -11.964 2.384 533 HA3 GLY 69 2HA GLY 69 0.259 -11.736 4.126 534 H ALA 70 H ALA 70 -1.059 -10.454 1.115 535 HA ALA 70 HA ALA 70 -2.981 -8.818 2.562 536 HB1 ALA 70 3HB ALA 70 -3.554 -7.864 0.486 537 HB2 ALA 70 1HB ALA 70 -1.804 -8.083 0.440 538 HB3 ALA 70 2HB ALA 70 -2.857 -9.210 -0.415 539 H SER 71 H SER 71 -4.534 -10.031 3.498 540 HA SER 71 HA SER 71 -5.672 -12.321 2.150 541 HB2 SER 71 1HB SER 71 -6.479 -11.009 4.758 542 HB3 SER 71 2HB SER 71 -7.022 -12.583 4.177 543 HG SER 71 HG SER 71 -5.179 -13.439 4.757 544 H LEU 72 H LEU 72 -8.114 -12.520 2.093 545 HA LEU 72 HA LEU 72 -9.196 -10.696 0.313 546 HB2 LEU 72 1HB LEU 72 -10.708 -12.459 2.234 547 HB3 LEU 72 2HB LEU 72 -11.347 -11.742 0.756 548 HG LEU 72 HG LEU 72 -9.064 -13.702 0.744 549 HD11 LEU 72 1HD1 LEU 72 -10.665 -15.069 1.650 550 HD12 LEU 72 2HD1 LEU 72 -11.014 -15.252 -0.069 551 HD13 LEU 72 3HD1 LEU 72 -12.000 -14.176 0.921 552 HD21 LEU 72 3HD2 LEU 72 -9.357 -12.314 -1.251 553 HD22 LEU 72 1HD2 LEU 72 -11.036 -12.843 -1.372 554 HD23 LEU 72 2HD2 LEU 72 -9.728 -14.008 -1.579 555 H LYS 73 H LYS 73 -8.977 -10.536 3.751 556 HA LYS 73 HA LYS 73 -11.025 -8.512 4.032 557 HB2 LYS 73 1HB LYS 73 -9.109 -9.864 5.903 558 HB3 LYS 73 2HB LYS 73 -9.940 -8.398 6.405 559 HG2 LYS 73 1HG LYS 73 -11.475 -10.720 5.310 560 HG3 LYS 73 2HG LYS 73 -10.963 -10.685 6.999 561 HD2 LYS 73 1HD LYS 73 -12.226 -8.736 7.441 562 HD3 LYS 73 2HD LYS 73 -12.485 -8.425 5.723 563 HE2 LYS 73 1HE LYS 73 -13.516 -10.894 7.097 564 HE3 LYS 73 2HE LYS 73 -14.442 -9.396 7.023 565 HZ1 LYS 73 3HZ LYS 73 -15.210 -10.344 5.144 566 HZ2 LYS 73 1HZ LYS 73 -13.839 -11.310 4.918 567 HZ3 LYS 73 2HZ LYS 73 -13.808 -9.680 4.469 568 H ASP 74 H ASP 74 -7.517 -8.685 3.875 569 HA ASP 74 HA ASP 74 -6.804 -6.158 4.717 570 HB2 ASP 74 1HB ASP 74 -5.643 -7.942 2.586 571 HB3 ASP 74 2HB ASP 74 -4.912 -6.393 2.996 572 H ALA 75 H ALA 75 -8.557 -7.066 1.903 573 HA ALA 75 HA ALA 75 -7.996 -4.913 0.199 574 HB1 ALA 75 3HB ALA 75 -9.999 -7.015 0.376 575 HB2 ALA 75 1HB ALA 75 -10.629 -5.521 -0.318 576 HB3 ALA 75 2HB ALA 75 -9.223 -6.305 -1.039 577 H GLY 76 H GLY 76 -8.347 -2.812 0.457 578 HA2 GLY 76 1HA GLY 76 -10.833 -1.803 1.470 579 HA3 GLY 76 2HA GLY 76 -9.513 -1.579 2.608 580 H GLU 77 H GLU 77 -10.314 0.715 2.123 581 HA GLU 77 HA GLU 77 -9.121 1.786 -0.328 582 HB2 GLU 77 1HB GLU 77 -11.416 2.465 0.120 583 HB3 GLU 77 2HB GLU 77 -10.954 3.064 1.707 584 HG2 GLU 77 1HG GLU 77 -9.349 4.607 0.407 585 HG3 GLU 77 2HG GLU 77 -10.352 4.208 -0.987 586 H TYR 78 H TYR 78 -7.299 2.945 -0.323 587 HA TYR 78 HA TYR 78 -6.133 3.648 2.289 588 HB2 TYR 78 1HB TYR 78 -4.805 2.935 -0.329 589 HB3 TYR 78 2HB TYR 78 -3.934 3.587 1.054 590 HD1 TYR 78 2HD TYR 78 -5.952 0.710 -0.113 591 HD2 TYR 78 1HD TYR 78 -3.291 2.195 2.856 592 HE1 TYR 78 2HE TYR 78 -5.706 -1.562 0.794 593 HE2 TYR 78 1HE TYR 78 -3.037 -0.074 3.771 594 HH TYR 78 HH TYR 78 -4.447 -2.868 2.172 595 H THR 79 H THR 79 -6.346 5.738 2.715 596 HA THR 79 HA THR 79 -6.321 7.670 0.509 597 HB THR 79 HB THR 79 -7.151 8.037 3.394 598 HG1 THR 79 1HG THR 79 -8.493 6.783 1.748 599 HG21 THR 79 3HG2 THR 79 -6.685 9.927 1.190 600 HG22 THR 79 1HG2 THR 79 -6.722 10.203 2.931 601 HG23 THR 79 2HG2 THR 79 -8.229 10.118 2.019 602 H CYS 80 H CYS 80 -4.334 8.371 0.043 603 HA CYS 80 HA CYS 80 -2.294 8.586 2.079 604 HB2 CYS 80 1HB CYS 80 -2.400 8.785 -0.882 605 HB3 CYS 80 2HB CYS 80 -1.122 9.685 -0.074 606 HG CYS 80 HG CYS 80 -0.438 7.181 1.379 607 H GLU 81 H GLU 81 -3.456 10.187 3.369 608 HA GLU 81 HA GLU 81 -4.010 12.785 2.379 609 HB2 GLU 81 1HB GLU 81 -4.760 11.506 4.590 610 HB3 GLU 81 2HB GLU 81 -3.390 12.378 5.264 611 HG2 GLU 81 1HG GLU 81 -4.559 14.414 4.042 612 HG3 GLU 81 2HG GLU 81 -5.983 13.397 4.260 613 H VAL 82 H VAL 82 -2.576 14.242 1.747 614 HA VAL 82 HA VAL 82 0.099 14.227 2.978 615 HB VAL 82 HB VAL 82 -0.236 13.904 0.420 616 HG11 VAL 82 1HG1 VAL 82 -0.637 16.875 0.719 617 HG12 VAL 82 2HG1 VAL 82 -0.191 16.089 -0.797 618 HG13 VAL 82 3HG1 VAL 82 -1.732 15.712 -0.026 619 HG21 VAL 82 3HG2 VAL 82 1.839 14.779 1.966 620 HG22 VAL 82 1HG2 VAL 82 1.946 14.386 0.250 621 HG23 VAL 82 2HG2 VAL 82 1.715 16.059 0.759 622 H GLU 83 H GLU 83 1.112 16.591 2.555 623 HA GLU 83 HA GLU 83 0.417 18.293 4.448 624 HB2 GLU 83 1HB GLU 83 0.862 20.171 2.559 625 HB3 GLU 83 2HB GLU 83 2.138 19.227 3.314 626 HG2 GLU 83 1HG GLU 83 2.426 17.883 1.465 627 HG3 GLU 83 2HG GLU 83 0.808 18.210 0.846 628 H ALA 84 H ALA 84 -0.892 18.952 1.199 629 HA ALA 84 HA ALA 84 -3.403 19.803 2.486 630 HB1 ALA 84 3HB ALA 84 -3.351 21.276 0.199 631 HB2 ALA 84 1HB ALA 84 -2.842 21.857 1.785 632 HB3 ALA 84 2HB ALA 84 -1.644 21.248 0.641 633 H SER 85 H SER 85 -1.846 18.268 -0.247 634 HA SER 85 HA SER 85 -4.237 17.815 -1.739 635 HB2 SER 85 1HB SER 85 -1.739 17.795 -2.524 636 HB3 SER 85 2HB SER 85 -1.791 16.102 -2.033 637 HG SER 85 HG SER 85 -3.040 17.381 -4.154 638 H LYS 86 H LYS 86 -4.399 15.264 -2.436 639 HA LYS 86 HA LYS 86 -4.242 13.418 -0.270 640 HB2 LYS 86 1HB LYS 86 -6.839 14.795 -0.837 641 HB3 LYS 86 2HB LYS 86 -6.848 13.114 -0.321 642 HG2 LYS 86 1HG LYS 86 -5.235 14.114 1.554 643 HG3 LYS 86 2HG LYS 86 -6.175 15.563 1.189 644 HD2 LYS 86 1HD LYS 86 -7.245 12.875 2.043 645 HD3 LYS 86 2HD LYS 86 -7.233 14.362 2.994 646 HE2 LYS 86 1HE LYS 86 -8.653 14.126 0.352 647 HE3 LYS 86 2HE LYS 86 -9.428 13.741 1.887 648 HZ1 LYS 86 3HZ LYS 86 -9.445 16.166 0.780 649 HZ2 LYS 86 1HZ LYS 86 -8.089 16.309 1.781 650 HZ3 LYS 86 2HZ LYS 86 -9.589 15.896 2.443 651 H SER 87 H SER 87 -4.679 11.301 -0.906 652 HA SER 87 HA SER 87 -5.547 10.907 -3.684 653 HB2 SER 87 1HB SER 87 -3.301 10.628 -4.093 654 HB3 SER 87 2HB SER 87 -2.955 10.110 -2.444 655 HG SER 87 HG SER 87 -4.400 8.539 -4.309 656 H THR 88 H THR 88 -7.023 9.356 -3.898 657 HA THR 88 HA THR 88 -7.381 7.465 -1.665 658 HB THR 88 HB THR 88 -9.520 8.432 -3.570 659 HG1 THR 88 1HG THR 88 -9.141 9.143 -0.837 660 HG21 THR 88 3HG2 THR 88 -9.522 6.637 -1.160 661 HG22 THR 88 1HG2 THR 88 -10.183 6.329 -2.765 662 HG23 THR 88 2HG2 THR 88 -10.980 7.476 -1.689 663 H ALA 89 H ALA 89 -7.882 5.312 -2.135 664 HA ALA 89 HA ALA 89 -8.087 4.397 -4.856 665 HB1 ALA 89 3HB ALA 89 -6.016 2.809 -4.283 666 HB2 ALA 89 1HB ALA 89 -5.838 4.353 -5.118 667 HB3 ALA 89 2HB ALA 89 -5.525 4.246 -3.385 668 H SER 90 H SER 90 -8.313 2.012 -4.968 669 HA SER 90 HA SER 90 -9.285 0.885 -2.425 670 HB2 SER 90 1HB SER 90 -11.040 1.638 -4.226 671 HB3 SER 90 2HB SER 90 -10.570 0.142 -5.031 672 HG SER 90 HG SER 90 -12.086 0.520 -2.786 673 H LEU 91 H LEU 91 -8.534 -1.078 -1.920 674 HA LEU 91 HA LEU 91 -6.805 -2.420 -3.862 675 HB2 LEU 91 1HB LEU 91 -5.621 -2.162 -1.902 676 HB3 LEU 91 2HB LEU 91 -7.038 -2.433 -0.889 677 HG LEU 91 HG LEU 91 -6.925 -4.857 -1.585 678 HD11 LEU 91 1HD1 LEU 91 -5.582 -4.648 -3.573 679 HD12 LEU 91 2HD1 LEU 91 -4.726 -5.642 -2.394 680 HD13 LEU 91 3HD1 LEU 91 -4.248 -3.963 -2.644 681 HD21 LEU 91 3HD2 LEU 91 -6.127 -3.993 0.592 682 HD22 LEU 91 1HD2 LEU 91 -4.523 -3.782 -0.112 683 HD23 LEU 91 2HD2 LEU 91 -5.218 -5.397 0.030 684 H HIS 92 H HIS 92 -7.185 -4.434 -4.633 685 HA HIS 92 HA HIS 92 -9.660 -5.760 -3.737 686 HB2 HIS 92 1HB HIS 92 -8.437 -5.900 -6.498 687 HB3 HIS 92 2HB HIS 92 -9.984 -6.574 -5.992 688 HD1 HIS 92 1HD HIS 92 -11.643 -4.525 -4.957 689 HD2 HIS 92 2HD HIS 92 -8.760 -3.560 -7.789 690 HE1 HIS 92 1HE HIS 92 -12.382 -2.336 -5.950 691 HE2 HIS 92 2HE HIS 92 -10.668 -1.815 -7.721 692 H VAL 93 H VAL 93 -9.652 -7.983 -3.477 693 HA VAL 93 HA VAL 93 -7.131 -9.409 -3.908 694 HB VAL 93 HB VAL 93 -8.601 -9.398 -1.267 695 HG11 VAL 93 1HG1 VAL 93 -7.184 -11.470 -2.382 696 HG12 VAL 93 2HG1 VAL 93 -5.976 -10.661 -1.381 697 HG13 VAL 93 3HG1 VAL 93 -7.481 -11.234 -0.660 698 HG21 VAL 93 3HG2 VAL 93 -5.785 -8.485 -1.810 699 HG22 VAL 93 1HG2 VAL 93 -7.167 -7.389 -1.825 700 HG23 VAL 93 2HG2 VAL 93 -6.745 -8.255 -0.348 701 H GLU 94 H GLU 94 -7.773 -10.944 -5.288 702 HA GLU 94 HA GLU 94 -10.039 -12.637 -4.489 703 HB2 GLU 94 1HB GLU 94 -9.495 -11.438 -7.196 704 HB3 GLU 94 2HB GLU 94 -10.470 -12.889 -7.011 705 HG2 GLU 94 1HG GLU 94 -11.104 -10.388 -5.494 706 HG3 GLU 94 2HG GLU 94 -11.660 -10.627 -7.149 707 H GLU 95 H GLU 95 -9.721 -14.793 -4.682 708 HA GLU 95 HA GLU 95 -7.038 -15.686 -5.284 709 HB2 GLU 95 1HB GLU 95 -8.716 -16.493 -3.404 710 HB3 GLU 95 2HB GLU 95 -9.256 -17.586 -4.670 711 HG2 GLU 95 1HG GLU 95 -7.180 -18.653 -4.797 712 HG3 GLU 95 2HG GLU 95 -6.364 -17.357 -3.924 713 H LYS 96 H LYS 96 -6.831 -17.803 -6.546 714 HA LYS 96 HA LYS 96 -8.263 -17.463 -9.086 715 HB2 LYS 96 1HB LYS 96 -6.071 -17.428 -9.712 716 HB3 LYS 96 2HB LYS 96 -5.550 -18.384 -8.331 717 HG2 LYS 96 1HG LYS 96 -5.169 -19.651 -10.315 718 HG3 LYS 96 2HG LYS 96 -6.505 -20.394 -9.432 719 HD2 LYS 96 1HD LYS 96 -7.386 -20.384 -11.544 720 HD3 LYS 96 2HD LYS 96 -7.947 -18.809 -10.976 721 HE2 LYS 96 1HE LYS 96 -5.365 -19.180 -12.476 722 HE3 LYS 96 2HE LYS 96 -6.902 -18.876 -13.285 723 HZ1 LYS 96 3HZ LYS 96 -5.949 -16.784 -13.041 724 HZ2 LYS 96 1HZ LYS 96 -5.395 -17.096 -11.473 725 HZ3 LYS 96 2HZ LYS 96 -7.046 -16.861 -11.756 726 H ALA 97 H ALA 97 -8.184 -19.432 -6.364 727 HA ALA 97 HA ALA 97 -8.693 -21.974 -7.490 728 HB1 ALA 97 3HB ALA 97 -8.238 -21.051 -4.971 729 HB2 ALA 97 1HB ALA 97 -9.956 -21.441 -4.901 730 HB3 ALA 97 2HB ALA 97 -8.789 -22.679 -5.364 731 H SER 98 H SER 98 -10.718 -23.152 -7.466 732 HA SER 98 HA SER 98 -12.839 -21.623 -8.631 733 HB2 SER 98 1HB SER 98 -12.221 -23.957 -9.328 734 HB3 SER 98 2HB SER 98 -12.896 -24.533 -7.804 735 HG SER 98 HG SER 98 -14.826 -24.317 -8.601 736 H GLY 99 H GLY 99 -14.662 -20.875 -7.724 737 HA2 GLY 99 1HA GLY 99 -16.332 -20.529 -6.171 738 HA3 GLY 99 2HA GLY 99 -15.797 -21.986 -5.346 739 HA PRO 100 HA PRO 100 -14.755 -18.159 -2.831 740 HB2 PRO 100 1HB PRO 100 -16.200 -18.847 -0.638 741 HB3 PRO 100 2HB PRO 100 -16.876 -17.918 -1.981 742 HG2 PRO 100 1HG PRO 100 -17.115 -20.843 -1.393 743 HG3 PRO 100 2HG PRO 100 -18.361 -19.706 -1.938 744 HD2 PRO 100 1HD PRO 100 -17.112 -21.416 -3.625 745 HD3 PRO 100 2HD PRO 100 -17.676 -19.812 -4.136 746 H SER 101 H SER 101 -12.645 -19.123 -2.799 747 HA SER 101 HA SER 101 -10.871 -20.235 -1.890 748 HB2 SER 101 1HB SER 101 -12.467 -19.658 0.616 749 HB3 SER 101 2HB SER 101 -10.780 -20.173 0.601 750 HG SER 101 HG SER 101 -10.521 -18.242 -0.854 751 H SER 102 H SER 102 -12.850 -21.945 -2.917 752 HA SER 102 HA SER 102 -12.882 -24.171 -0.994 753 HB2 SER 102 1HB SER 102 -14.612 -23.524 -3.376 754 HB3 SER 102 2HB SER 102 -14.582 -25.137 -2.664 755 HG SER 102 HG SER 102 -16.113 -23.271 -1.895 756 H GLY 103 H GLY 103 -12.424 -26.322 -1.788 757 HA2 GLY 103 1HA GLY 103 -11.558 -27.188 -4.188 758 HA3 GLY 103 2HA GLY 103 -10.158 -26.306 -3.593 Start of MODEL 3 1 H1 GLY 1 H GLY 1 8.719 14.854 -13.146 2 HA2 GLY 1 1HA GLY 1 6.268 13.683 -14.310 3 HA3 GLY 1 2HA GLY 1 6.642 13.557 -12.597 4 H SER 2 H SER 2 7.468 16.068 -11.957 5 HA SER 2 HA SER 2 4.965 17.499 -11.984 6 HB2 SER 2 1HB SER 2 7.631 18.197 -10.729 7 HB3 SER 2 2HB SER 2 6.126 19.079 -10.469 8 HG SER 2 HG SER 2 6.934 17.137 -9.033 9 H SER 3 H SER 3 4.524 18.437 -13.904 10 HA SER 3 HA SER 3 6.610 19.952 -15.279 11 HB2 SER 3 1HB SER 3 5.159 19.976 -17.181 12 HB3 SER 3 2HB SER 3 5.089 18.346 -16.511 13 HG SER 3 HG SER 3 3.013 19.276 -17.039 14 H GLY 4 H GLY 4 6.667 22.125 -15.395 15 HA2 GLY 4 1HA GLY 4 5.435 24.239 -15.508 16 HA3 GLY 4 2HA GLY 4 4.381 23.607 -14.253 17 H SER 5 H SER 5 5.031 23.667 -12.114 18 HA SER 5 HA SER 5 7.665 24.757 -11.492 19 HB2 SER 5 1HB SER 5 5.082 26.071 -10.611 20 HB3 SER 5 2HB SER 5 6.689 26.505 -10.029 21 HG SER 5 HG SER 5 5.723 27.743 -11.873 22 H SER 6 H SER 6 8.514 23.759 -9.789 23 HA SER 6 HA SER 6 6.890 21.902 -8.277 24 HB2 SER 6 1HB SER 6 9.197 21.345 -9.107 25 HB3 SER 6 2HB SER 6 9.836 22.507 -7.945 26 HG SER 6 HG SER 6 8.164 20.896 -6.661 27 H GLY 7 H GLY 7 5.554 23.221 -7.025 28 HA2 GLY 7 1HA GLY 7 6.873 25.020 -5.113 29 HA3 GLY 7 2HA GLY 7 5.159 25.013 -5.500 30 HA PRO 8 HA PRO 8 4.494 22.797 -1.762 31 HB2 PRO 8 1HB PRO 8 2.042 21.769 -2.311 32 HB3 PRO 8 2HB PRO 8 2.305 23.474 -1.928 33 HG2 PRO 8 1HG PRO 8 1.964 22.164 -4.598 34 HG3 PRO 8 2HG PRO 8 1.266 23.680 -3.998 35 HD2 PRO 8 1HD PRO 8 3.423 23.616 -5.633 36 HD3 PRO 8 2HD PRO 8 3.195 24.875 -4.402 37 H ALA 9 H ALA 9 4.378 20.677 -0.918 38 HA ALA 9 HA ALA 9 5.440 18.657 -2.699 39 HB1 ALA 9 3HB ALA 9 4.825 17.865 0.056 40 HB2 ALA 9 1HB ALA 9 6.323 17.717 -0.864 41 HB3 ALA 9 2HB ALA 9 5.911 19.246 -0.087 42 H ALA 10 H ALA 10 2.870 19.277 -3.451 43 HA ALA 10 HA ALA 10 0.926 17.545 -2.294 44 HB1 ALA 10 3HB ALA 10 0.043 19.411 -3.386 45 HB2 ALA 10 1HB ALA 10 1.031 19.152 -4.824 46 HB3 ALA 10 2HB ALA 10 -0.317 18.070 -4.472 47 H ILE 11 H ILE 11 -0.251 15.912 -3.723 48 HA ILE 11 HA ILE 11 1.757 14.074 -4.796 49 HB ILE 11 HB ILE 11 -1.136 13.563 -4.095 50 HG12 ILE 11 1HG1 ILE 11 1.323 12.622 -2.619 51 HG13 ILE 11 2HG1 ILE 11 0.474 14.105 -2.196 52 HG21 ILE 11 1HG2 ILE 11 -0.906 11.714 -5.308 53 HG22 ILE 11 2HG2 ILE 11 0.808 12.030 -5.573 54 HG23 ILE 11 3HG2 ILE 11 0.284 11.167 -4.127 55 HD11 ILE 11 3HD1 ILE 11 -1.015 11.525 -2.356 56 HD12 ILE 11 1HD1 ILE 11 -0.053 11.914 -0.930 57 HD13 ILE 11 2HD1 ILE 11 -1.376 12.973 -1.419 58 H ILE 12 H ILE 12 2.122 14.371 -6.905 59 HA ILE 12 HA ILE 12 0.059 15.274 -8.702 60 HB ILE 12 HB ILE 12 1.957 14.683 -10.425 61 HG12 ILE 12 1HG1 ILE 12 3.176 13.543 -8.367 62 HG13 ILE 12 2HG1 ILE 12 4.091 14.376 -9.619 63 HG21 ILE 12 1HG2 ILE 12 1.792 16.960 -8.499 64 HG22 ILE 12 2HG2 ILE 12 3.096 16.901 -9.684 65 HG23 ILE 12 3HG2 ILE 12 1.417 16.918 -10.222 66 HD11 ILE 12 3HD1 ILE 12 4.396 14.798 -6.980 67 HD12 ILE 12 1HD1 ILE 12 4.765 15.995 -8.222 68 HD13 ILE 12 2HD1 ILE 12 3.221 16.053 -7.372 69 H LYS 13 H LYS 13 1.733 12.252 -8.011 70 HA LYS 13 HA LYS 13 0.050 10.884 -9.995 71 HB2 LYS 13 1HB LYS 13 2.578 9.970 -8.611 72 HB3 LYS 13 2HB LYS 13 1.650 9.001 -9.748 73 HG2 LYS 13 1HG LYS 13 2.033 10.853 -11.429 74 HG3 LYS 13 2HG LYS 13 3.207 11.511 -10.287 75 HD2 LYS 13 1HD LYS 13 4.569 9.575 -10.437 76 HD3 LYS 13 2HD LYS 13 3.314 8.673 -11.289 77 HE2 LYS 13 1HE LYS 13 3.642 9.855 -13.270 78 HE3 LYS 13 2HE LYS 13 4.459 11.186 -12.452 79 HZ1 LYS 13 3HZ LYS 13 6.152 9.270 -11.888 80 HZ2 LYS 13 1HZ LYS 13 6.240 10.128 -13.344 81 HZ3 LYS 13 2HZ LYS 13 5.518 8.599 -13.306 82 HA PRO 14 HA PRO 14 -2.101 9.734 -6.147 83 HB2 PRO 14 1HB PRO 14 -4.465 9.227 -7.381 84 HB3 PRO 14 2HB PRO 14 -3.954 10.854 -6.914 85 HG2 PRO 14 1HG PRO 14 -3.815 9.520 -9.590 86 HG3 PRO 14 2HG PRO 14 -4.304 11.177 -9.190 87 HD2 PRO 14 1HD PRO 14 -1.845 10.576 -10.150 88 HD3 PRO 14 2HD PRO 14 -2.127 11.912 -9.015 89 H LEU 15 H LEU 15 -2.908 7.729 -5.401 90 HA LEU 15 HA LEU 15 -1.680 5.449 -6.485 91 HB2 LEU 15 1HB LEU 15 -3.998 5.610 -4.564 92 HB3 LEU 15 2HB LEU 15 -3.000 4.187 -4.856 93 HG LEU 15 HG LEU 15 -1.784 6.732 -3.841 94 HD11 LEU 15 1HD1 LEU 15 -2.415 6.388 -1.697 95 HD12 LEU 15 2HD1 LEU 15 -2.526 4.639 -1.891 96 HD13 LEU 15 3HD1 LEU 15 -3.826 5.675 -2.479 97 HD21 LEU 15 3HD2 LEU 15 -0.954 3.977 -4.308 98 HD22 LEU 15 1HD2 LEU 15 -0.544 4.566 -2.697 99 HD23 LEU 15 2HD2 LEU 15 0.016 5.439 -4.123 100 H GLU 16 H GLU 16 -3.128 3.371 -6.812 101 HA GLU 16 HA GLU 16 -5.474 3.958 -8.447 102 HB2 GLU 16 1HB GLU 16 -2.998 2.557 -9.445 103 HB3 GLU 16 2HB GLU 16 -4.564 2.376 -10.222 104 HG2 GLU 16 1HG GLU 16 -4.624 4.847 -10.520 105 HG3 GLU 16 2HG GLU 16 -2.971 4.907 -9.911 106 H ASP 17 H ASP 17 -6.665 1.968 -9.045 107 HA ASP 17 HA ASP 17 -7.023 0.304 -6.786 108 HB2 ASP 17 1HB ASP 17 -8.036 -0.450 -9.506 109 HB3 ASP 17 2HB ASP 17 -8.814 -0.643 -7.938 110 H GLN 18 H GLN 18 -6.058 -1.532 -6.217 111 HA GLN 18 HA GLN 18 -4.239 -2.795 -8.144 112 HB2 GLN 18 1HB GLN 18 -4.352 -3.005 -5.130 113 HB3 GLN 18 2HB GLN 18 -3.190 -3.836 -6.156 114 HG2 GLN 18 1HG GLN 18 -3.468 -0.862 -5.792 115 HG3 GLN 18 2HG GLN 18 -2.173 -1.890 -5.180 116 HE21 GLN 18 1HE2 GLN 18 -1.971 0.419 -6.898 117 HE22 GLN 18 2HE2 GLN 18 -1.225 -0.115 -8.362 118 H TRP 19 H TRP 19 -4.216 -5.048 -8.426 119 HA TRP 19 HA TRP 19 -6.538 -6.503 -7.364 120 HB2 TRP 19 1HB TRP 19 -5.710 -6.179 -10.229 121 HB3 TRP 19 2HB TRP 19 -6.537 -7.646 -9.714 122 HD1 TRP 19 HD TRP 19 -9.076 -7.321 -8.739 123 HE1 TRP 19 1HE TRP 19 -10.850 -5.544 -9.304 124 HE3 TRP 19 3HE TRP 19 -6.046 -3.798 -10.872 125 HZ2 TRP 19 2HZ TRP 19 -10.952 -2.987 -10.496 126 HZ3 TRP 19 3HZ TRP 19 -7.061 -1.715 -11.700 127 HH2 TRP 19 HH TRP 19 -9.464 -1.320 -11.515 128 H VAL 20 H VAL 20 -5.399 -7.765 -5.962 129 HA VAL 20 HA VAL 20 -3.447 -9.609 -7.173 130 HB VAL 20 HB VAL 20 -2.105 -9.597 -5.182 131 HG11 VAL 20 1HG1 VAL 20 -2.236 -7.530 -6.938 132 HG12 VAL 20 2HG1 VAL 20 -2.407 -6.686 -5.398 133 HG13 VAL 20 3HG1 VAL 20 -1.000 -7.709 -5.693 134 HG21 VAL 20 3HG2 VAL 20 -2.936 -7.554 -3.558 135 HG22 VAL 20 1HG2 VAL 20 -4.460 -8.304 -4.034 136 HG23 VAL 20 2HG2 VAL 20 -3.206 -9.270 -3.258 137 H ALA 21 H ALA 21 -3.014 -11.390 -5.278 138 HA ALA 21 HA ALA 21 -5.684 -12.487 -4.711 139 HB1 ALA 21 3HB ALA 21 -3.749 -14.500 -4.383 140 HB2 ALA 21 1HB ALA 21 -4.927 -14.330 -5.685 141 HB3 ALA 21 2HB ALA 21 -3.318 -13.626 -5.852 142 HA PRO 22 HA PRO 22 -5.070 -12.434 -0.367 143 HB2 PRO 22 1HB PRO 22 -6.117 -14.816 0.409 144 HB3 PRO 22 2HB PRO 22 -7.111 -13.469 -0.158 145 HG2 PRO 22 1HG PRO 22 -6.181 -15.894 -1.646 146 HG3 PRO 22 2HG PRO 22 -7.777 -15.121 -1.653 147 HD2 PRO 22 1HD PRO 22 -5.967 -14.743 -3.632 148 HD3 PRO 22 2HD PRO 22 -7.118 -13.485 -3.137 149 H GLY 23 H GLY 23 -2.732 -12.501 -0.459 150 HA2 GLY 23 1HA GLY 23 -1.393 -14.063 1.202 151 HA3 GLY 23 2HA GLY 23 -1.484 -15.129 -0.192 152 H GLU 24 H GLU 24 -1.408 -12.353 -1.708 153 HA GLU 24 HA GLU 24 1.481 -12.442 -2.058 154 HB2 GLU 24 1HB GLU 24 -0.704 -11.022 -3.585 155 HB3 GLU 24 2HB GLU 24 1.005 -10.886 -3.973 156 HG2 GLU 24 1HG GLU 24 -0.176 -13.602 -3.790 157 HG3 GLU 24 2HG GLU 24 -0.568 -12.610 -5.193 158 H ASP 25 H ASP 25 2.392 -10.110 -2.644 159 HA ASP 25 HA ASP 25 1.766 -8.406 -0.327 160 HB2 ASP 25 1HB ASP 25 4.112 -7.489 -0.751 161 HB3 ASP 25 2HB ASP 25 4.007 -9.133 -0.125 162 H VAL 26 H VAL 26 0.910 -6.472 -0.690 163 HA VAL 26 HA VAL 26 0.756 -5.490 -3.436 164 HB VAL 26 HB VAL 26 -0.667 -4.578 -0.933 165 HG11 VAL 26 1HG1 VAL 26 -2.065 -3.538 -3.026 166 HG12 VAL 26 2HG1 VAL 26 -0.892 -2.647 -2.054 167 HG13 VAL 26 3HG1 VAL 26 -0.402 -3.368 -3.588 168 HG21 VAL 26 3HG2 VAL 26 -2.209 -5.631 -3.189 169 HG22 VAL 26 1HG2 VAL 26 -1.142 -6.810 -2.426 170 HG23 VAL 26 2HG2 VAL 26 -2.352 -5.963 -1.463 171 H GLU 27 H GLU 27 1.483 -3.484 -4.088 172 HA GLU 27 HA GLU 27 3.031 -1.919 -2.143 173 HB2 GLU 27 1HB GLU 27 3.967 -2.708 -4.908 174 HB3 GLU 27 2HB GLU 27 4.799 -1.586 -3.840 175 HG2 GLU 27 1HG GLU 27 5.215 -3.334 -2.243 176 HG3 GLU 27 2HG GLU 27 4.255 -4.472 -3.187 177 H LEU 28 H LEU 28 1.944 -0.061 -2.038 178 HA LEU 28 HA LEU 28 0.806 1.083 -4.482 179 HB2 LEU 28 1HB LEU 28 0.432 1.883 -1.600 180 HB3 LEU 28 2HB LEU 28 -0.405 2.589 -2.981 181 HG LEU 28 HG LEU 28 -0.665 -0.337 -2.427 182 HD11 LEU 28 1HD1 LEU 28 -2.870 0.656 -1.236 183 HD12 LEU 28 2HD1 LEU 28 -1.679 1.868 -0.763 184 HD13 LEU 28 3HD1 LEU 28 -1.414 0.170 -0.367 185 HD21 LEU 28 3HD2 LEU 28 -2.197 -0.225 -4.032 186 HD22 LEU 28 1HD2 LEU 28 -1.681 1.436 -4.328 187 HD23 LEU 28 2HD2 LEU 28 -3.022 1.112 -3.230 188 H ARG 29 H ARG 29 2.490 2.060 -5.520 189 HA ARG 29 HA ARG 29 4.233 3.865 -4.034 190 HB2 ARG 29 1HB ARG 29 4.268 2.876 -6.886 191 HB3 ARG 29 2HB ARG 29 5.388 4.085 -6.273 192 HG2 ARG 29 1HG ARG 29 6.291 2.511 -4.688 193 HG3 ARG 29 2HG ARG 29 5.094 1.303 -5.161 194 HD2 ARG 29 1HD ARG 29 7.243 2.466 -6.930 195 HD3 ARG 29 2HD ARG 29 7.257 0.860 -6.202 196 HE ARG 29 HE ARG 29 5.737 0.148 -7.786 197 HH11 ARG 29 2HH1 ARG 29 6.122 3.604 -7.958 198 HH12 ARG 29 1HH1 ARG 29 5.275 3.754 -9.462 199 HH21 ARG 29 2HH2 ARG 29 4.621 0.333 -9.766 200 HH22 ARG 29 1HH2 ARG 29 4.421 1.893 -10.489 201 H CYS 30 H CYS 30 4.354 6.061 -4.373 202 HA CYS 30 HA CYS 30 2.406 7.259 -6.212 203 HB2 CYS 30 1HB CYS 30 1.426 8.611 -4.611 204 HB3 CYS 30 2HB CYS 30 1.699 7.138 -3.689 205 HG CYS 30 HG CYS 30 4.079 9.554 -3.612 206 H GLU 31 H GLU 31 2.811 9.855 -5.925 207 HA GLU 31 HA GLU 31 5.708 10.316 -6.018 208 HB2 GLU 31 1HB GLU 31 4.563 9.964 -8.328 209 HB3 GLU 31 2HB GLU 31 3.909 11.574 -8.065 210 HG2 GLU 31 1HG GLU 31 5.792 12.077 -9.243 211 HG3 GLU 31 2HG GLU 31 6.411 12.181 -7.596 212 H LEU 32 H LEU 32 6.370 12.414 -5.508 213 HA LEU 32 HA LEU 32 4.275 14.259 -4.593 214 HB2 LEU 32 1HB LEU 32 6.816 13.918 -3.049 215 HB3 LEU 32 2HB LEU 32 5.292 14.639 -2.533 216 HG LEU 32 HG LEU 32 5.466 11.706 -3.122 217 HD11 LEU 32 1HD1 LEU 32 5.761 12.524 -0.317 218 HD12 LEU 32 2HD1 LEU 32 7.174 12.803 -1.335 219 HD13 LEU 32 3HD1 LEU 32 6.494 11.182 -1.197 220 HD21 LEU 32 3HD2 LEU 32 3.792 12.053 -1.025 221 HD22 LEU 32 1HD2 LEU 32 3.282 12.059 -2.713 222 HD23 LEU 32 2HD2 LEU 32 3.576 13.583 -1.876 223 H SER 33 H SER 33 4.575 16.324 -5.174 224 HA SER 33 HA SER 33 6.489 17.055 -7.064 225 HB2 SER 33 1HB SER 33 4.508 18.355 -6.963 226 HB3 SER 33 2HB SER 33 4.725 18.695 -5.246 227 HG SER 33 HG SER 33 6.739 19.516 -6.990 228 H ARG 34 H ARG 34 6.811 16.695 -3.711 229 HA ARG 34 HA ARG 34 9.539 17.647 -3.813 230 HB2 ARG 34 1HB ARG 34 8.465 19.716 -3.239 231 HB3 ARG 34 2HB ARG 34 7.480 18.927 -2.013 232 HG2 ARG 34 1HG ARG 34 9.717 18.351 -0.885 233 HG3 ARG 34 2HG ARG 34 10.396 19.591 -1.942 234 HD2 ARG 34 1HD ARG 34 8.092 20.007 -0.041 235 HD3 ARG 34 2HD ARG 34 9.765 20.452 0.290 236 HE ARG 34 HE ARG 34 8.881 21.621 -2.133 237 HH11 ARG 34 2HH1 ARG 34 8.582 21.900 1.324 238 HH12 ARG 34 1HH1 ARG 34 8.245 23.599 1.289 239 HH21 ARG 34 2HH2 ARG 34 8.438 23.858 -2.193 240 HH22 ARG 34 1HH2 ARG 34 8.163 24.712 -0.712 241 H ALA 35 H ALA 35 10.850 16.641 -2.344 242 HA ALA 35 HA ALA 35 9.721 14.360 -0.974 243 HB1 ALA 35 3HB ALA 35 12.600 15.206 -0.882 244 HB2 ALA 35 1HB ALA 35 11.919 13.588 -0.709 245 HB3 ALA 35 2HB ALA 35 11.909 14.386 -2.282 246 H GLY 36 H GLY 36 11.082 13.956 1.254 247 HA2 GLY 36 1HA GLY 36 11.140 14.473 3.489 248 HA3 GLY 36 2HA GLY 36 11.568 16.098 2.974 249 H THR 37 H THR 37 8.580 14.220 2.545 250 HA THR 37 HA THR 37 7.163 16.282 4.100 251 HB THR 37 HB THR 37 6.247 15.029 1.505 252 HG1 THR 37 1HG THR 37 7.493 16.740 0.982 253 HG21 THR 37 3HG2 THR 37 4.176 16.122 1.750 254 HG22 THR 37 1HG2 THR 37 4.751 17.091 3.105 255 HG23 THR 37 2HG2 THR 37 4.472 15.362 3.313 256 HA PRO 38 HA PRO 38 5.593 12.839 6.375 257 HB2 PRO 38 1HB PRO 38 3.537 14.109 7.612 258 HB3 PRO 38 2HB PRO 38 5.227 14.337 8.078 259 HG2 PRO 38 1HG PRO 38 3.486 16.064 6.361 260 HG3 PRO 38 2HG PRO 38 4.629 16.539 7.631 261 HD2 PRO 38 1HD PRO 38 5.236 16.682 4.996 262 HD3 PRO 38 2HD PRO 38 6.455 16.333 6.240 263 H VAL 39 H VAL 39 4.033 11.291 6.168 264 HA VAL 39 HA VAL 39 1.737 11.895 4.425 265 HB VAL 39 HB VAL 39 3.664 10.534 3.355 266 HG11 VAL 39 1HG1 VAL 39 3.634 9.017 5.485 267 HG12 VAL 39 2HG1 VAL 39 2.338 8.183 4.626 268 HG13 VAL 39 3HG1 VAL 39 3.938 8.315 3.897 269 HG21 VAL 39 3HG2 VAL 39 1.758 10.669 2.070 270 HG22 VAL 39 1HG2 VAL 39 1.851 8.931 2.358 271 HG23 VAL 39 2HG2 VAL 39 0.742 9.924 3.304 272 H HIS 40 H HIS 40 -0.168 10.742 4.838 273 HA HIS 40 HA HIS 40 -0.199 9.228 7.365 274 HB2 HIS 40 1HB HIS 40 -1.248 11.658 7.236 275 HB3 HIS 40 2HB HIS 40 -2.603 10.786 6.525 276 HD1 HIS 40 1HD HIS 40 -2.812 12.216 9.272 277 HD2 HIS 40 2HD HIS 40 -1.966 8.181 8.759 278 HE1 HIS 40 1HE HIS 40 -3.486 11.109 11.427 279 HE2 HIS 40 2HE HIS 40 -2.886 8.682 11.125 280 H TRP 41 H TRP 41 -0.394 7.178 6.660 281 HA TRP 41 HA TRP 41 -2.100 6.512 4.423 282 HB2 TRP 41 1HB TRP 41 -0.418 4.824 6.281 283 HB3 TRP 41 2HB TRP 41 -1.386 4.156 4.970 284 HD1 TRP 41 HD TRP 41 1.868 5.965 5.659 285 HE1 TRP 41 1HE TRP 41 3.231 6.116 3.481 286 HE3 TRP 41 3HE TRP 41 -1.688 4.344 2.364 287 HZ2 TRP 41 2HZ TRP 41 2.849 5.614 0.730 288 HZ3 TRP 41 3HZ TRP 41 -1.109 4.209 -0.024 289 HH2 TRP 41 HH TRP 41 1.113 4.831 -0.822 290 H LEU 42 H LEU 42 -4.226 6.389 4.687 291 HA LEU 42 HA LEU 42 -5.270 5.341 7.233 292 HB2 LEU 42 1HB LEU 42 -6.715 7.057 5.223 293 HB3 LEU 42 2HB LEU 42 -7.290 6.581 6.820 294 HG LEU 42 HG LEU 42 -4.777 8.169 6.634 295 HD11 LEU 42 1HD1 LEU 42 -5.857 10.222 6.358 296 HD12 LEU 42 2HD1 LEU 42 -7.456 9.518 6.595 297 HD13 LEU 42 3HD1 LEU 42 -6.558 9.190 5.112 298 HD21 LEU 42 3HD2 LEU 42 -5.342 7.501 8.811 299 HD22 LEU 42 1HD2 LEU 42 -7.052 7.861 8.571 300 HD23 LEU 42 2HD2 LEU 42 -5.883 9.176 8.699 301 H LYS 43 H LYS 43 -6.272 3.443 7.196 302 HA LYS 43 HA LYS 43 -7.116 2.362 4.590 303 HB2 LYS 43 1HB LYS 43 -5.299 1.234 6.136 304 HB3 LYS 43 2HB LYS 43 -6.711 0.624 6.990 305 HG2 LYS 43 1HG LYS 43 -7.526 -0.285 4.802 306 HG3 LYS 43 2HG LYS 43 -5.960 0.153 4.116 307 HD2 LYS 43 1HD LYS 43 -4.844 -1.474 5.275 308 HD3 LYS 43 2HD LYS 43 -5.993 -1.461 6.615 309 HE2 LYS 43 1HE LYS 43 -6.935 -2.390 3.950 310 HE3 LYS 43 2HE LYS 43 -5.893 -3.460 4.886 311 HZ1 LYS 43 3HZ LYS 43 -8.491 -3.491 5.157 312 HZ2 LYS 43 1HZ LYS 43 -8.175 -2.238 6.248 313 HZ3 LYS 43 2HZ LYS 43 -7.469 -3.757 6.477 314 H ASP 44 H ASP 44 -9.196 3.216 4.581 315 HA ASP 44 HA ASP 44 -11.453 3.072 4.888 316 HB2 ASP 44 1HB ASP 44 -10.741 0.587 5.438 317 HB3 ASP 44 2HB ASP 44 -11.175 1.058 7.078 318 H ARG 45 H ARG 45 -10.257 5.133 6.061 319 HA ARG 45 HA ARG 45 -10.539 6.746 7.638 320 HB2 ARG 45 1HB ARG 45 -12.856 4.999 8.487 321 HB3 ARG 45 2HB ARG 45 -12.564 6.634 9.066 322 HG2 ARG 45 1HG ARG 45 -12.775 6.167 6.135 323 HG3 ARG 45 2HG ARG 45 -14.244 6.170 7.114 324 HD2 ARG 45 1HD ARG 45 -13.523 8.389 8.024 325 HD3 ARG 45 2HD ARG 45 -12.217 8.382 6.840 326 HE ARG 45 HE ARG 45 -14.401 7.999 5.311 327 HH11 ARG 45 2HH1 ARG 45 -13.625 10.331 7.777 328 HH12 ARG 45 1HH1 ARG 45 -14.599 11.584 7.082 329 HH21 ARG 45 2HH2 ARG 45 -15.687 9.640 4.387 330 HH22 ARG 45 1HH2 ARG 45 -15.773 11.190 5.155 331 H LYS 46 H LYS 46 -8.671 4.700 8.137 332 HA LYS 46 HA LYS 46 -8.558 4.853 11.053 333 HB2 LYS 46 1HB LYS 46 -8.443 2.318 9.435 334 HB3 LYS 46 2HB LYS 46 -7.676 2.430 11.014 335 HG2 LYS 46 1HG LYS 46 -9.714 2.697 12.117 336 HG3 LYS 46 2HG LYS 46 -10.564 3.130 10.632 337 HD2 LYS 46 1HD LYS 46 -11.262 0.960 10.894 338 HD3 LYS 46 2HD LYS 46 -9.828 0.714 9.895 339 HE2 LYS 46 1HE LYS 46 -9.828 -0.873 11.714 340 HE3 LYS 46 2HE LYS 46 -8.516 0.283 11.940 341 HZ1 LYS 46 3HZ LYS 46 -11.156 0.541 13.265 342 HZ2 LYS 46 1HZ LYS 46 -9.745 1.411 13.601 343 HZ3 LYS 46 2HZ LYS 46 -9.832 -0.236 13.977 344 H ALA 47 H ALA 47 -6.603 5.448 11.741 345 HA ALA 47 HA ALA 47 -4.517 6.013 9.902 346 HB1 ALA 47 3HB ALA 47 -4.792 7.392 11.849 347 HB2 ALA 47 1HB ALA 47 -4.546 6.009 12.916 348 HB3 ALA 47 2HB ALA 47 -3.213 6.610 11.929 349 H ILE 48 H ILE 48 -3.105 4.636 9.067 350 HA ILE 48 HA ILE 48 -2.766 1.996 10.182 351 HB ILE 48 HB ILE 48 -1.356 3.252 7.826 352 HG12 ILE 48 1HG1 ILE 48 -3.775 1.435 7.851 353 HG13 ILE 48 2HG1 ILE 48 -3.840 3.177 7.604 354 HG21 ILE 48 1HG2 ILE 48 -1.754 0.323 8.334 355 HG22 ILE 48 2HG2 ILE 48 -0.623 1.112 7.235 356 HG23 ILE 48 3HG2 ILE 48 -0.361 1.193 8.977 357 HD11 ILE 48 3HD1 ILE 48 -3.224 1.056 5.736 358 HD12 ILE 48 1HD1 ILE 48 -3.693 2.729 5.438 359 HD13 ILE 48 2HD1 ILE 48 -2.001 2.327 5.736 360 H ARG 49 H ARG 49 -1.042 1.208 11.268 361 HA ARG 49 HA ARG 49 1.037 3.140 12.023 362 HB2 ARG 49 1HB ARG 49 1.487 1.405 13.858 363 HB3 ARG 49 2HB ARG 49 0.006 2.346 13.974 364 HG2 ARG 49 1HG ARG 49 -1.336 0.546 13.377 365 HG3 ARG 49 2HG ARG 49 0.011 -0.341 12.660 366 HD2 ARG 49 1HD ARG 49 -0.166 -1.485 14.620 367 HD3 ARG 49 2HD ARG 49 0.928 -0.206 15.144 368 HE ARG 49 HE ARG 49 -1.837 -0.564 15.916 369 HH11 ARG 49 2HH1 ARG 49 0.897 1.586 15.778 370 HH12 ARG 49 1HH1 ARG 49 0.315 2.617 17.043 371 HH21 ARG 49 2HH2 ARG 49 -2.614 0.785 17.583 372 HH22 ARG 49 1HH2 ARG 49 -1.681 2.160 18.070 373 H LYS 50 H LYS 50 3.021 2.915 11.243 374 HA LYS 50 HA LYS 50 3.772 0.998 9.380 375 HB2 LYS 50 1HB LYS 50 4.906 3.174 9.693 376 HB3 LYS 50 2HB LYS 50 5.591 2.585 11.202 377 HG2 LYS 50 1HG LYS 50 6.936 0.995 10.077 378 HG3 LYS 50 2HG LYS 50 6.082 1.252 8.553 379 HD2 LYS 50 1HD LYS 50 8.021 2.476 8.240 380 HD3 LYS 50 2HD LYS 50 6.895 3.708 8.815 381 HE2 LYS 50 1HE LYS 50 7.894 3.837 10.892 382 HE3 LYS 50 2HE LYS 50 8.575 2.215 10.781 383 HZ1 LYS 50 3HZ LYS 50 10.213 4.063 10.569 384 HZ2 LYS 50 1HZ LYS 50 9.485 4.481 9.100 385 HZ3 LYS 50 2HZ LYS 50 10.223 2.970 9.277 386 H SER 51 H SER 51 3.883 -1.123 9.702 387 HA SER 51 HA SER 51 5.567 -2.143 11.843 388 HB2 SER 51 1HB SER 51 3.815 -3.814 12.516 389 HB3 SER 51 2HB SER 51 3.426 -2.149 12.949 390 HG SER 51 HG SER 51 1.715 -2.304 11.757 391 H GLN 52 H GLN 52 5.686 -4.634 11.644 392 HA GLN 52 HA GLN 52 6.922 -5.413 9.397 393 HB2 GLN 52 1HB GLN 52 5.055 -7.116 11.054 394 HB3 GLN 52 2HB GLN 52 6.211 -7.752 9.891 395 HG2 GLN 52 1HG GLN 52 8.025 -7.239 11.202 396 HG3 GLN 52 2HG GLN 52 7.171 -5.966 12.072 397 HE21 GLN 52 1HE2 GLN 52 6.896 -6.466 14.113 398 HE22 GLN 52 2HE2 GLN 52 6.536 -8.033 14.745 399 H LYS 53 H LYS 53 3.419 -5.450 9.871 400 HA LYS 53 HA LYS 53 2.804 -6.642 7.368 401 HB2 LYS 53 1HB LYS 53 1.144 -6.773 9.056 402 HB3 LYS 53 2HB LYS 53 1.190 -5.039 9.344 403 HG2 LYS 53 1HG LYS 53 -0.821 -5.568 8.169 404 HG3 LYS 53 2HG LYS 53 0.250 -4.688 7.076 405 HD2 LYS 53 1HD LYS 53 -0.388 -6.384 5.688 406 HD3 LYS 53 2HD LYS 53 1.014 -7.146 6.443 407 HE2 LYS 53 1HE LYS 53 -0.748 -8.738 6.483 408 HE3 LYS 53 2HE LYS 53 -0.562 -8.136 8.130 409 HZ1 LYS 53 3HZ LYS 53 -2.683 -7.471 6.176 410 HZ2 LYS 53 1HZ LYS 53 -2.410 -6.540 7.562 411 HZ3 LYS 53 2HZ LYS 53 -2.854 -8.165 7.709 412 H TYR 54 H TYR 54 2.558 -3.266 8.493 413 HA TYR 54 HA TYR 54 2.453 -2.404 5.690 414 HB2 TYR 54 1HB TYR 54 1.860 -0.821 8.199 415 HB3 TYR 54 2HB TYR 54 1.620 -0.272 6.544 416 HD1 TYR 54 2HD TYR 54 0.155 -2.082 5.114 417 HD2 TYR 54 1HD TYR 54 -0.048 -1.447 9.316 418 HE1 TYR 54 2HE TYR 54 -2.126 -3.000 5.137 419 HE2 TYR 54 1HE TYR 54 -2.330 -2.365 9.351 420 HH TYR 54 HH TYR 54 -4.007 -3.177 8.146 421 H ASP 55 H ASP 55 4.335 -1.869 4.822 422 HA ASP 55 HA ASP 55 6.431 -0.736 6.543 423 HB2 ASP 55 1HB ASP 55 6.783 -1.845 3.757 424 HB3 ASP 55 2HB ASP 55 8.037 -1.498 4.944 425 H VAL 56 H VAL 56 5.840 1.414 6.562 426 HA VAL 56 HA VAL 56 5.139 2.864 4.211 427 HB VAL 56 HB VAL 56 6.076 3.910 6.887 428 HG11 VAL 56 1HG1 VAL 56 5.124 6.017 6.243 429 HG12 VAL 56 2HG1 VAL 56 6.266 5.515 4.995 430 HG13 VAL 56 3HG1 VAL 56 4.532 5.338 4.727 431 HG21 VAL 56 3HG2 VAL 56 3.958 3.754 7.673 432 HG22 VAL 56 1HG2 VAL 56 3.234 4.031 6.089 433 HG23 VAL 56 2HG2 VAL 56 3.866 2.438 6.503 434 H VAL 57 H VAL 57 6.718 2.691 2.657 435 HA VAL 57 HA VAL 57 9.467 3.386 3.312 436 HB VAL 57 HB VAL 57 8.208 2.520 0.707 437 HG11 VAL 57 1HG1 VAL 57 11.147 2.794 1.295 438 HG12 VAL 57 2HG1 VAL 57 10.375 2.452 -0.255 439 HG13 VAL 57 3HG1 VAL 57 10.203 4.044 0.486 440 HG21 VAL 57 3HG2 VAL 57 10.242 0.800 1.828 441 HG22 VAL 57 1HG2 VAL 57 8.907 1.040 2.954 442 HG23 VAL 57 2HG2 VAL 57 8.593 0.418 1.334 443 H CYS 58 H CYS 58 10.416 5.286 2.882 444 HA CYS 58 HA CYS 58 8.989 7.209 1.174 445 HB2 CYS 58 1HB CYS 58 8.524 7.886 3.436 446 HB3 CYS 58 2HB CYS 58 10.218 7.731 3.884 447 HG CYS 58 HG CYS 58 10.565 9.806 1.614 448 H GLU 59 H GLU 59 10.392 6.854 -0.541 449 HA GLU 59 HA GLU 59 13.217 7.530 -0.074 450 HB2 GLU 59 1HB GLU 59 11.891 5.945 -2.275 451 HB3 GLU 59 2HB GLU 59 13.574 6.451 -2.329 452 HG2 GLU 59 1HG GLU 59 12.287 4.575 -0.367 453 HG3 GLU 59 2HG GLU 59 13.508 4.198 -1.581 454 H GLY 60 H GLY 60 12.670 9.806 -0.056 455 HA2 GLY 60 1HA GLY 60 12.873 11.835 -1.150 456 HA3 GLY 60 2HA GLY 60 12.927 10.965 -2.675 457 H THR 61 H THR 61 11.261 11.260 -3.989 458 HA THR 61 HA THR 61 8.770 12.336 -2.856 459 HB THR 61 HB THR 61 8.303 12.938 -5.310 460 HG1 THR 61 1HG THR 61 10.389 13.233 -6.456 461 HG21 THR 61 3HG2 THR 61 10.421 14.218 -3.610 462 HG22 THR 61 1HG2 THR 61 8.754 14.729 -3.872 463 HG23 THR 61 2HG2 THR 61 9.946 14.915 -5.159 464 H MET 62 H MET 62 9.213 9.580 -2.644 465 HA MET 62 HA MET 62 6.973 8.601 -4.231 466 HB2 MET 62 1HB MET 62 9.103 8.053 -5.462 467 HB3 MET 62 2HB MET 62 9.562 7.053 -4.090 468 HG2 MET 62 1HG MET 62 7.058 6.660 -5.709 469 HG3 MET 62 2HG MET 62 8.571 5.801 -5.986 470 HE1 MET 62 3HE MET 62 9.042 3.501 -3.099 471 HE2 MET 62 1HE MET 62 9.815 4.623 -4.220 472 HE3 MET 62 2HE MET 62 9.399 5.152 -2.590 473 H ALA 63 H ALA 63 5.604 8.016 -2.674 474 HA ALA 63 HA ALA 63 6.642 6.704 -0.265 475 HB1 ALA 63 3HB ALA 63 4.650 7.323 0.831 476 HB2 ALA 63 1HB ALA 63 5.118 8.726 -0.130 477 HB3 ALA 63 2HB ALA 63 3.825 7.664 -0.690 478 H MET 64 H MET 64 6.643 4.561 -0.254 479 HA MET 64 HA MET 64 4.515 3.146 -1.722 480 HB2 MET 64 1HB MET 64 6.901 2.859 -2.537 481 HB3 MET 64 2HB MET 64 7.227 2.022 -1.026 482 HG2 MET 64 1HG MET 64 5.472 0.385 -1.594 483 HG3 MET 64 2HG MET 64 5.253 1.199 -3.141 484 HE1 MET 64 3HE MET 64 8.963 -1.108 -1.765 485 HE2 MET 64 1HE MET 64 9.026 0.646 -1.589 486 HE3 MET 64 2HE MET 64 7.777 -0.279 -0.755 487 H LEU 65 H LEU 65 3.194 1.861 -0.597 488 HA LEU 65 HA LEU 65 3.909 1.263 2.198 489 HB2 LEU 65 1HB LEU 65 2.011 2.758 2.025 490 HB3 LEU 65 2HB LEU 65 1.197 1.637 0.936 491 HG LEU 65 HG LEU 65 1.199 -0.013 2.865 492 HD11 LEU 65 1HD1 LEU 65 1.290 1.087 5.117 493 HD12 LEU 65 2HD1 LEU 65 2.021 2.485 4.329 494 HD13 LEU 65 3HD1 LEU 65 2.844 0.926 4.299 495 HD21 LEU 65 3HD2 LEU 65 -0.403 2.308 3.735 496 HD22 LEU 65 1HD2 LEU 65 -0.895 0.650 3.390 497 HD23 LEU 65 2HD2 LEU 65 -0.629 1.784 2.065 498 H VAL 66 H VAL 66 4.751 -0.749 2.116 499 HA VAL 66 HA VAL 66 3.715 -2.799 0.400 500 HB VAL 66 HB VAL 66 5.546 -3.233 2.752 501 HG11 VAL 66 1HG1 VAL 66 6.440 -4.943 0.995 502 HG12 VAL 66 2HG1 VAL 66 4.989 -5.313 1.928 503 HG13 VAL 66 3HG1 VAL 66 4.848 -4.735 0.267 504 HG21 VAL 66 3HG2 VAL 66 7.241 -3.038 0.659 505 HG22 VAL 66 1HG2 VAL 66 6.044 -1.821 0.217 506 HG23 VAL 66 2HG2 VAL 66 6.884 -1.710 1.763 507 H ILE 67 H ILE 67 2.358 -4.454 0.869 508 HA ILE 67 HA ILE 67 1.243 -4.543 3.597 509 HB ILE 67 HB ILE 67 -0.220 -5.012 0.996 510 HG12 ILE 67 1HG1 ILE 67 -1.008 -2.956 3.010 511 HG13 ILE 67 2HG1 ILE 67 0.370 -2.613 1.971 512 HG21 ILE 67 1HG2 ILE 67 -2.216 -5.081 2.618 513 HG22 ILE 67 2HG2 ILE 67 -1.197 -6.513 2.482 514 HG23 ILE 67 3HG2 ILE 67 -1.008 -5.424 3.857 515 HD11 ILE 67 3HD1 ILE 67 -0.912 -2.503 0.080 516 HD12 ILE 67 1HD1 ILE 67 -2.170 -3.548 0.738 517 HD13 ILE 67 2HD1 ILE 67 -2.035 -1.877 1.287 518 H ARG 68 H ARG 68 2.818 -6.183 4.080 519 HA ARG 68 HA ARG 68 3.255 -8.540 2.723 520 HB2 ARG 68 1HB ARG 68 3.357 -7.785 5.613 521 HB3 ARG 68 2HB ARG 68 3.540 -9.477 5.172 522 HG2 ARG 68 1HG ARG 68 5.223 -7.279 4.001 523 HG3 ARG 68 2HG ARG 68 5.673 -8.188 5.445 524 HD2 ARG 68 1HD ARG 68 5.006 -9.519 2.832 525 HD3 ARG 68 2HD ARG 68 6.639 -8.992 3.238 526 HE ARG 68 HE ARG 68 5.265 -11.290 4.253 527 HH11 ARG 68 2HH1 ARG 68 7.708 -8.910 4.952 528 HH12 ARG 68 1HH1 ARG 68 8.559 -9.922 6.071 529 HH21 ARG 68 2HH2 ARG 68 6.378 -12.633 5.724 530 HH22 ARG 68 1HH2 ARG 68 7.803 -12.040 6.508 531 H GLY 69 H GLY 69 2.258 -10.499 2.550 532 HA2 GLY 69 1HA GLY 69 0.372 -11.823 2.314 533 HA3 GLY 69 2HA GLY 69 0.402 -11.732 4.069 534 H ALA 70 H ALA 70 -0.830 -10.101 1.177 535 HA ALA 70 HA ALA 70 -2.781 -8.616 2.710 536 HB1 ALA 70 3HB ALA 70 -3.519 -7.778 0.505 537 HB2 ALA 70 1HB ALA 70 -1.793 -7.548 0.787 538 HB3 ALA 70 2HB ALA 70 -2.349 -8.850 -0.265 539 H SER 71 H SER 71 -4.309 -9.902 3.600 540 HA SER 71 HA SER 71 -5.544 -12.007 2.005 541 HB2 SER 71 1HB SER 71 -5.878 -11.220 4.908 542 HB3 SER 71 2HB SER 71 -6.742 -12.550 4.137 543 HG SER 71 HG SER 71 -4.575 -13.364 3.592 544 H LEU 72 H LEU 72 -7.973 -12.211 2.169 545 HA LEU 72 HA LEU 72 -9.302 -10.297 0.818 546 HB2 LEU 72 1HB LEU 72 -10.550 -11.893 3.048 547 HB3 LEU 72 2HB LEU 72 -11.379 -11.193 1.659 548 HG LEU 72 HG LEU 72 -9.303 -13.369 1.448 549 HD11 LEU 72 1HD1 LEU 72 -12.299 -13.666 1.360 550 HD12 LEU 72 2HD1 LEU 72 -11.298 -14.078 2.752 551 HD13 LEU 72 3HD1 LEU 72 -11.091 -14.945 1.230 552 HD21 LEU 72 3HD2 LEU 72 -11.412 -12.736 -0.569 553 HD22 LEU 72 1HD2 LEU 72 -9.837 -13.500 -0.789 554 HD23 LEU 72 2HD2 LEU 72 -9.942 -11.763 -0.503 555 H LYS 73 H LYS 73 -8.804 -10.367 4.307 556 HA LYS 73 HA LYS 73 -10.483 -8.230 5.000 557 HB2 LYS 73 1HB LYS 73 -7.963 -9.282 6.288 558 HB3 LYS 73 2HB LYS 73 -8.961 -8.027 7.010 559 HG2 LYS 73 1HG LYS 73 -10.090 -10.697 6.242 560 HG3 LYS 73 2HG LYS 73 -9.314 -10.419 7.803 561 HD2 LYS 73 1HD LYS 73 -10.964 -8.959 8.510 562 HD3 LYS 73 2HD LYS 73 -11.465 -8.567 6.863 563 HE2 LYS 73 1HE LYS 73 -12.234 -10.995 6.706 564 HE3 LYS 73 2HE LYS 73 -12.046 -11.047 8.458 565 HZ1 LYS 73 3HZ LYS 73 -13.490 -8.801 8.089 566 HZ2 LYS 73 1HZ LYS 73 -14.140 -10.314 8.478 567 HZ3 LYS 73 2HZ LYS 73 -14.099 -9.801 6.867 568 H ASP 74 H ASP 74 -7.024 -8.279 4.187 569 HA ASP 74 HA ASP 74 -6.366 -5.647 4.598 570 HB2 ASP 74 1HB ASP 74 -5.463 -7.553 2.438 571 HB3 ASP 74 2HB ASP 74 -4.744 -5.960 2.664 572 H ALA 75 H ALA 75 -8.077 -7.053 1.855 573 HA ALA 75 HA ALA 75 -8.071 -5.008 0.039 574 HB1 ALA 75 3HB ALA 75 -9.273 -7.336 0.042 575 HB2 ALA 75 1HB ALA 75 -10.661 -6.385 0.570 576 HB3 ALA 75 2HB ALA 75 -9.872 -6.018 -0.965 577 H GLY 76 H GLY 76 -8.490 -2.914 0.256 578 HA2 GLY 76 1HA GLY 76 -10.966 -1.951 1.261 579 HA3 GLY 76 2HA GLY 76 -9.689 -1.694 2.440 580 H GLU 77 H GLU 77 -10.333 0.590 2.047 581 HA GLU 77 HA GLU 77 -9.257 1.691 -0.446 582 HB2 GLU 77 1HB GLU 77 -11.573 2.285 0.705 583 HB3 GLU 77 2HB GLU 77 -10.567 3.402 1.617 584 HG2 GLU 77 1HG GLU 77 -9.723 4.237 -0.626 585 HG3 GLU 77 2HG GLU 77 -11.053 3.328 -1.341 586 H TYR 78 H TYR 78 -7.396 2.783 -0.522 587 HA TYR 78 HA TYR 78 -6.021 3.320 2.023 588 HB2 TYR 78 1HB TYR 78 -4.927 2.818 -0.749 589 HB3 TYR 78 2HB TYR 78 -3.937 3.325 0.615 590 HD1 TYR 78 2HD TYR 78 -5.923 0.577 -0.801 591 HD2 TYR 78 1HD TYR 78 -3.367 1.785 2.378 592 HE1 TYR 78 2HE TYR 78 -5.658 -1.774 -0.128 593 HE2 TYR 78 1HE TYR 78 -3.094 -0.562 3.059 594 HH TYR 78 HH TYR 78 -4.552 -3.197 1.194 595 H THR 79 H THR 79 -6.569 5.369 2.548 596 HA THR 79 HA THR 79 -6.477 7.457 0.508 597 HB THR 79 HB THR 79 -7.357 7.574 3.399 598 HG1 THR 79 1HG THR 79 -9.083 6.737 2.488 599 HG21 THR 79 3HG2 THR 79 -8.375 9.789 2.532 600 HG22 THR 79 1HG2 THR 79 -7.162 9.668 1.259 601 HG23 THR 79 2HG2 THR 79 -6.662 9.754 2.948 602 H CYS 80 H CYS 80 -4.555 8.342 0.129 603 HA CYS 80 HA CYS 80 -2.559 8.476 2.247 604 HB2 CYS 80 1HB CYS 80 -1.721 7.675 0.157 605 HB3 CYS 80 2HB CYS 80 -2.443 9.019 -0.719 606 HG CYS 80 HG CYS 80 0.479 8.852 0.905 607 H GLU 81 H GLU 81 -3.208 10.111 3.599 608 HA GLU 81 HA GLU 81 -3.980 12.688 2.556 609 HB2 GLU 81 1HB GLU 81 -4.688 11.434 4.793 610 HB3 GLU 81 2HB GLU 81 -3.302 12.307 5.432 611 HG2 GLU 81 1HG GLU 81 -4.498 14.332 4.205 612 HG3 GLU 81 2HG GLU 81 -5.915 13.322 4.482 613 H VAL 82 H VAL 82 -2.324 13.707 1.549 614 HA VAL 82 HA VAL 82 0.300 13.822 2.811 615 HB VAL 82 HB VAL 82 -0.136 13.502 0.279 616 HG11 VAL 82 1HG1 VAL 82 -1.374 15.989 0.637 617 HG12 VAL 82 2HG1 VAL 82 0.115 16.315 -0.253 618 HG13 VAL 82 3HG1 VAL 82 -1.055 15.156 -0.885 619 HG21 VAL 82 3HG2 VAL 82 2.034 14.014 -0.019 620 HG22 VAL 82 1HG2 VAL 82 1.828 15.667 0.559 621 HG23 VAL 82 2HG2 VAL 82 2.011 14.346 1.713 622 H GLU 83 H GLU 83 1.368 16.139 2.407 623 HA GLU 83 HA GLU 83 0.775 17.856 4.315 624 HB2 GLU 83 1HB GLU 83 1.236 19.731 2.431 625 HB3 GLU 83 2HB GLU 83 2.498 18.733 3.137 626 HG2 GLU 83 1HG GLU 83 2.707 17.424 1.265 627 HG3 GLU 83 2HG GLU 83 1.066 17.759 0.715 628 H ALA 84 H ALA 84 -0.588 18.589 1.105 629 HA ALA 84 HA ALA 84 -3.044 19.498 2.457 630 HB1 ALA 84 3HB ALA 84 -1.485 20.816 0.259 631 HB2 ALA 84 1HB ALA 84 -3.196 21.162 0.517 632 HB3 ALA 84 2HB ALA 84 -2.025 21.494 1.794 633 H SER 85 H SER 85 -1.587 17.856 -0.242 634 HA SER 85 HA SER 85 -4.071 17.501 -1.666 635 HB2 SER 85 1HB SER 85 -1.228 16.726 -2.086 636 HB3 SER 85 2HB SER 85 -2.458 15.737 -2.872 637 HG SER 85 HG SER 85 -2.483 17.255 -4.316 638 H LYS 86 H LYS 86 -4.347 15.034 -2.438 639 HA LYS 86 HA LYS 86 -3.976 13.098 -0.347 640 HB2 LYS 86 1HB LYS 86 -6.113 14.660 0.092 641 HB3 LYS 86 2HB LYS 86 -6.850 13.485 -0.989 642 HG2 LYS 86 1HG LYS 86 -5.745 11.748 0.617 643 HG3 LYS 86 2HG LYS 86 -5.730 13.106 1.745 644 HD2 LYS 86 1HD LYS 86 -8.148 11.987 0.328 645 HD3 LYS 86 2HD LYS 86 -7.748 11.778 2.034 646 HE2 LYS 86 1HE LYS 86 -7.851 14.261 2.280 647 HE3 LYS 86 2HE LYS 86 -8.441 14.349 0.621 648 HZ1 LYS 86 3HZ LYS 86 -10.074 12.517 1.777 649 HZ2 LYS 86 1HZ LYS 86 -10.450 14.148 1.527 650 HZ3 LYS 86 2HZ LYS 86 -9.842 13.640 3.021 651 H SER 87 H SER 87 -4.802 10.966 -0.950 652 HA SER 87 HA SER 87 -5.558 10.649 -3.752 653 HB2 SER 87 1HB SER 87 -3.271 10.399 -4.103 654 HB3 SER 87 2HB SER 87 -3.006 9.663 -2.522 655 HG SER 87 HG SER 87 -4.602 8.340 -4.414 656 H THR 88 H THR 88 -7.078 9.144 -3.978 657 HA THR 88 HA THR 88 -7.436 7.192 -1.797 658 HB THR 88 HB THR 88 -9.620 8.241 -3.601 659 HG1 THR 88 1HG THR 88 -10.025 9.122 -1.187 660 HG21 THR 88 3HG2 THR 88 -9.742 6.728 -0.990 661 HG22 THR 88 1HG2 THR 88 -10.006 6.024 -2.585 662 HG23 THR 88 2HG2 THR 88 -11.117 7.245 -1.965 663 H ALA 89 H ALA 89 -7.920 5.069 -2.319 664 HA ALA 89 HA ALA 89 -8.227 4.279 -5.088 665 HB1 ALA 89 3HB ALA 89 -6.291 2.865 -5.192 666 HB2 ALA 89 1HB ALA 89 -5.772 4.501 -4.784 667 HB3 ALA 89 2HB ALA 89 -5.856 3.263 -3.530 668 H SER 90 H SER 90 -8.511 1.882 -5.279 669 HA SER 90 HA SER 90 -9.625 0.742 -2.801 670 HB2 SER 90 1HB SER 90 -11.537 -0.041 -3.918 671 HB3 SER 90 2HB SER 90 -11.312 1.579 -4.576 672 HG SER 90 HG SER 90 -11.629 0.242 -6.301 673 H LEU 91 H LEU 91 -8.725 -1.121 -2.246 674 HA LEU 91 HA LEU 91 -7.067 -2.540 -4.177 675 HB2 LEU 91 1HB LEU 91 -5.905 -2.281 -2.199 676 HB3 LEU 91 2HB LEU 91 -7.337 -2.545 -1.205 677 HG LEU 91 HG LEU 91 -7.233 -4.965 -1.877 678 HD11 LEU 91 1HD1 LEU 91 -4.432 -4.966 -2.501 679 HD12 LEU 91 2HD1 LEU 91 -5.321 -4.009 -3.684 680 HD13 LEU 91 3HD1 LEU 91 -5.777 -5.686 -3.385 681 HD21 LEU 91 3HD2 LEU 91 -6.203 -3.798 0.224 682 HD22 LEU 91 1HD2 LEU 91 -4.672 -4.231 -0.537 683 HD23 LEU 91 2HD2 LEU 91 -5.838 -5.488 -0.126 684 H HIS 92 H HIS 92 -7.350 -4.677 -4.759 685 HA HIS 92 HA HIS 92 -9.885 -5.928 -3.930 686 HB2 HIS 92 1HB HIS 92 -8.688 -6.144 -6.695 687 HB3 HIS 92 2HB HIS 92 -10.268 -6.713 -6.165 688 HD1 HIS 92 1HD HIS 92 -11.955 -4.697 -5.405 689 HD2 HIS 92 2HD HIS 92 -8.720 -3.667 -7.800 690 HE1 HIS 92 1HE HIS 92 -12.531 -2.453 -6.384 691 HE2 HIS 92 2HE HIS 92 -10.597 -1.890 -7.896 692 H VAL 93 H VAL 93 -9.784 -8.015 -3.325 693 HA VAL 93 HA VAL 93 -7.356 -9.547 -3.940 694 HB VAL 93 HB VAL 93 -8.588 -9.277 -1.195 695 HG11 VAL 93 1HG1 VAL 93 -7.950 -11.454 -1.087 696 HG12 VAL 93 2HG1 VAL 93 -6.751 -11.283 -2.370 697 HG13 VAL 93 3HG1 VAL 93 -6.389 -10.711 -0.741 698 HG21 VAL 93 3HG2 VAL 93 -7.175 -7.401 -1.730 699 HG22 VAL 93 1HG2 VAL 93 -6.331 -8.445 -0.586 700 HG23 VAL 93 2HG2 VAL 93 -5.896 -8.475 -2.294 701 H GLU 94 H GLU 94 -8.139 -11.147 -5.166 702 HA GLU 94 HA GLU 94 -10.460 -12.647 -4.142 703 HB2 GLU 94 1HB GLU 94 -9.751 -11.918 -6.978 704 HB3 GLU 94 2HB GLU 94 -10.855 -13.232 -6.601 705 HG2 GLU 94 1HG GLU 94 -12.043 -11.375 -5.166 706 HG3 GLU 94 2HG GLU 94 -11.216 -10.302 -6.293 707 H GLU 95 H GLU 95 -10.173 -14.767 -3.838 708 HA GLU 95 HA GLU 95 -7.569 -15.904 -4.252 709 HB2 GLU 95 1HB GLU 95 -9.252 -16.335 -2.315 710 HB3 GLU 95 2HB GLU 95 -9.983 -17.486 -3.426 711 HG2 GLU 95 1HG GLU 95 -7.769 -18.601 -3.625 712 HG3 GLU 95 2HG GLU 95 -7.168 -17.522 -2.368 713 H LYS 96 H LYS 96 -7.011 -17.635 -5.574 714 HA LYS 96 HA LYS 96 -7.709 -17.715 -8.150 715 HB2 LYS 96 1HB LYS 96 -6.972 -20.044 -8.261 716 HB3 LYS 96 2HB LYS 96 -5.927 -19.106 -7.202 717 HG2 LYS 96 1HG LYS 96 -7.478 -20.002 -5.318 718 HG3 LYS 96 2HG LYS 96 -7.905 -21.230 -6.512 719 HD2 LYS 96 1HD LYS 96 -5.049 -20.593 -5.822 720 HD3 LYS 96 2HD LYS 96 -5.994 -21.773 -4.910 721 HE2 LYS 96 1HE LYS 96 -6.424 -22.989 -7.027 722 HE3 LYS 96 2HE LYS 96 -5.368 -21.850 -7.860 723 HZ1 LYS 96 3HZ LYS 96 -4.072 -22.934 -5.584 724 HZ2 LYS 96 1HZ LYS 96 -3.599 -22.986 -7.208 725 HZ3 LYS 96 2HZ LYS 96 -4.625 -24.179 -6.588 726 H ALA 97 H ALA 97 -9.414 -18.205 -9.377 727 HA ALA 97 HA ALA 97 -11.721 -19.481 -8.078 728 HB1 ALA 97 3HB ALA 97 -12.404 -18.386 -10.616 729 HB2 ALA 97 1HB ALA 97 -12.943 -17.885 -9.013 730 HB3 ALA 97 2HB ALA 97 -11.481 -17.186 -9.711 731 H SER 98 H SER 98 -11.076 -21.636 -8.364 732 HA SER 98 HA SER 98 -10.971 -22.559 -11.160 733 HB2 SER 98 1HB SER 98 -8.972 -22.965 -9.571 734 HB3 SER 98 2HB SER 98 -10.006 -24.172 -8.806 735 HG SER 98 HG SER 98 -10.249 -24.795 -11.237 736 H GLY 99 H GLY 99 -12.176 -23.408 -7.923 737 HA2 GLY 99 1HA GLY 99 -13.759 -25.594 -8.734 738 HA3 GLY 99 2HA GLY 99 -13.976 -24.666 -7.258 739 HA PRO 100 HA PRO 100 -17.299 -23.818 -10.618 740 HB2 PRO 100 1HB PRO 100 -19.211 -25.590 -9.861 741 HB3 PRO 100 2HB PRO 100 -17.978 -25.966 -11.070 742 HG2 PRO 100 1HG PRO 100 -18.067 -26.689 -8.167 743 HG3 PRO 100 2HG PRO 100 -17.598 -27.688 -9.554 744 HD2 PRO 100 1HD PRO 100 -15.782 -26.512 -7.927 745 HD3 PRO 100 2HD PRO 100 -15.484 -26.777 -9.656 746 H SER 101 H SER 101 -17.749 -21.879 -9.648 747 HA SER 101 HA SER 101 -19.528 -21.974 -7.301 748 HB2 SER 101 1HB SER 101 -17.277 -20.073 -7.932 749 HB3 SER 101 2HB SER 101 -18.567 -19.635 -6.812 750 HG SER 101 HG SER 101 -16.663 -20.622 -5.844 751 H SER 102 H SER 102 -21.452 -21.033 -7.538 752 HA SER 102 HA SER 102 -21.984 -19.586 -10.023 753 HB2 SER 102 1HB SER 102 -23.923 -20.653 -7.956 754 HB3 SER 102 2HB SER 102 -24.350 -19.970 -9.525 755 HG SER 102 HG SER 102 -22.548 -22.109 -9.442 756 H GLY 103 H GLY 103 -23.038 -17.570 -10.062 757 HA2 GLY 103 1HA GLY 103 -22.130 -15.603 -8.396 758 HA3 GLY 103 2HA GLY 103 -23.629 -15.476 -9.304 Start of MODEL 4 1 H1 GLY 1 H GLY 1 23.182 12.718 -0.222 2 HA2 GLY 1 1HA GLY 1 20.737 13.040 -0.784 3 HA3 GLY 1 2HA GLY 1 21.020 12.078 0.659 4 H SER 2 H SER 2 18.938 12.709 1.416 5 HA SER 2 HA SER 2 17.390 14.072 2.421 6 HB2 SER 2 1HB SER 2 20.008 14.548 3.776 7 HB3 SER 2 2HB SER 2 18.636 15.555 4.237 8 HG SER 2 HG SER 2 18.647 12.715 4.219 9 H SER 3 H SER 3 18.089 15.098 -0.061 10 HA SER 3 HA SER 3 17.577 17.926 0.388 11 HB2 SER 3 1HB SER 3 19.319 18.561 -1.319 12 HB3 SER 3 2HB SER 3 19.972 17.971 0.209 13 HG SER 3 HG SER 3 19.993 16.793 -2.318 14 H GLY 4 H GLY 4 17.239 19.029 -1.849 15 HA2 GLY 4 1HA GLY 4 16.624 17.740 -4.182 16 HA3 GLY 4 2HA GLY 4 15.194 17.520 -3.185 17 H SER 5 H SER 5 13.657 18.932 -3.639 18 HA SER 5 HA SER 5 14.450 21.652 -4.450 19 HB2 SER 5 1HB SER 5 13.165 20.026 -6.076 20 HB3 SER 5 2HB SER 5 11.762 20.522 -5.130 21 HG SER 5 HG SER 5 12.294 22.693 -5.645 22 H SER 6 H SER 6 12.880 23.362 -3.902 23 HA SER 6 HA SER 6 11.742 22.870 -1.236 24 HB2 SER 6 1HB SER 6 12.906 25.298 -2.560 25 HB3 SER 6 2HB SER 6 11.763 25.489 -1.230 26 HG SER 6 HG SER 6 13.733 25.390 -0.283 27 H GLY 7 H GLY 7 9.764 24.102 -0.683 28 HA2 GLY 7 1HA GLY 7 7.839 25.355 -1.550 29 HA3 GLY 7 2HA GLY 7 8.012 24.437 -3.039 30 HA PRO 8 HA PRO 8 4.699 22.403 -0.553 31 HB2 PRO 8 1HB PRO 8 3.063 21.972 -2.677 32 HB3 PRO 8 2HB PRO 8 3.072 23.485 -1.763 33 HG2 PRO 8 1HG PRO 8 4.396 22.839 -4.369 34 HG3 PRO 8 2HG PRO 8 3.506 24.299 -3.897 35 HD2 PRO 8 1HD PRO 8 6.211 24.185 -3.920 36 HD3 PRO 8 2HD PRO 8 5.307 25.182 -2.762 37 H ALA 9 H ALA 9 4.299 20.223 -0.377 38 HA ALA 9 HA ALA 9 5.660 18.486 -2.333 39 HB1 ALA 9 3HB ALA 9 6.340 17.036 -0.617 40 HB2 ALA 9 1HB ALA 9 6.660 18.656 0.004 41 HB3 ALA 9 2HB ALA 9 5.240 17.765 0.552 42 H ALA 10 H ALA 10 3.002 19.276 -2.695 43 HA ALA 10 HA ALA 10 1.115 17.468 -1.633 44 HB1 ALA 10 3HB ALA 10 0.407 19.559 -2.599 45 HB2 ALA 10 1HB ALA 10 1.042 19.087 -4.175 46 HB3 ALA 10 2HB ALA 10 -0.336 18.229 -3.487 47 H ILE 11 H ILE 11 -0.257 16.144 -3.362 48 HA ILE 11 HA ILE 11 1.637 14.230 -4.526 49 HB ILE 11 HB ILE 11 -1.299 13.899 -3.899 50 HG12 ILE 11 1HG1 ILE 11 1.016 12.531 -2.543 51 HG13 ILE 11 2HG1 ILE 11 0.406 14.083 -1.980 52 HG21 ILE 11 1HG2 ILE 11 0.078 11.431 -4.230 53 HG22 ILE 11 2HG2 ILE 11 -1.276 12.074 -5.158 54 HG23 ILE 11 3HG2 ILE 11 0.378 12.438 -5.646 55 HD11 ILE 11 3HD1 ILE 11 -0.444 11.809 -0.971 56 HD12 ILE 11 1HD1 ILE 11 -1.524 13.187 -1.179 57 HD13 ILE 11 2HD1 ILE 11 -1.535 11.872 -2.355 58 H ILE 12 H ILE 12 1.939 14.212 -6.645 59 HA ILE 12 HA ILE 12 0.091 15.641 -8.383 60 HB ILE 12 HB ILE 12 1.944 14.791 -10.106 61 HG12 ILE 12 1HG1 ILE 12 3.006 13.552 -8.069 62 HG13 ILE 12 2HG1 ILE 12 4.051 14.405 -9.200 63 HG21 ILE 12 1HG2 ILE 12 1.750 17.049 -10.075 64 HG22 ILE 12 2HG2 ILE 12 1.761 17.136 -8.315 65 HG23 ILE 12 3HG2 ILE 12 3.273 16.923 -9.197 66 HD11 ILE 12 3HD1 ILE 12 3.122 16.046 -6.971 67 HD12 ILE 12 1HD1 ILE 12 4.114 14.668 -6.497 68 HD13 ILE 12 2HD1 ILE 12 4.738 15.851 -7.647 69 H LYS 13 H LYS 13 1.271 12.378 -7.815 70 HA LYS 13 HA LYS 13 -0.669 11.385 -9.800 71 HB2 LYS 13 1HB LYS 13 1.923 10.156 -8.848 72 HB3 LYS 13 2HB LYS 13 0.759 9.326 -9.872 73 HG2 LYS 13 1HG LYS 13 1.040 11.179 -11.535 74 HG3 LYS 13 2HG LYS 13 2.369 11.777 -10.538 75 HD2 LYS 13 1HD LYS 13 3.562 10.466 -11.969 76 HD3 LYS 13 2HD LYS 13 3.156 9.246 -10.759 77 HE2 LYS 13 1HE LYS 13 1.224 8.567 -12.112 78 HE3 LYS 13 2HE LYS 13 1.655 9.773 -13.324 79 HZ1 LYS 13 3HZ LYS 13 2.402 7.378 -13.699 80 HZ2 LYS 13 1HZ LYS 13 3.569 7.676 -12.510 81 HZ3 LYS 13 2HZ LYS 13 3.550 8.599 -13.928 82 HA PRO 14 HA PRO 14 -2.676 9.929 -6.055 83 HB2 PRO 14 1HB PRO 14 -4.943 9.120 -7.309 84 HB3 PRO 14 2HB PRO 14 -4.619 10.810 -6.907 85 HG2 PRO 14 1HG PRO 14 -4.276 9.384 -9.516 86 HG3 PRO 14 2HG PRO 14 -4.947 10.995 -9.202 87 HD2 PRO 14 1HD PRO 14 -2.416 10.619 -10.086 88 HD3 PRO 14 2HD PRO 14 -2.865 11.965 -9.019 89 H LEU 15 H LEU 15 -3.341 7.878 -5.254 90 HA LEU 15 HA LEU 15 -1.824 5.699 -6.155 91 HB2 LEU 15 1HB LEU 15 -4.232 5.801 -4.348 92 HB3 LEU 15 2HB LEU 15 -3.247 4.361 -4.599 93 HG LEU 15 HG LEU 15 -2.180 6.944 -3.470 94 HD11 LEU 15 1HD1 LEU 15 -3.728 6.245 -1.861 95 HD12 LEU 15 2HD1 LEU 15 -2.189 5.583 -1.311 96 HD13 LEU 15 3HD1 LEU 15 -3.360 4.539 -2.117 97 HD21 LEU 15 3HD2 LEU 15 -0.674 4.769 -2.618 98 HD22 LEU 15 1HD2 LEU 15 -0.222 5.957 -3.842 99 HD23 LEU 15 2HD2 LEU 15 -0.999 4.448 -4.322 100 H GLU 16 H GLU 16 -2.978 3.475 -6.523 101 HA GLU 16 HA GLU 16 -5.236 3.767 -8.365 102 HB2 GLU 16 1HB GLU 16 -2.688 2.285 -9.037 103 HB3 GLU 16 2HB GLU 16 -4.142 2.320 -10.025 104 HG2 GLU 16 1HG GLU 16 -3.875 4.637 -10.482 105 HG3 GLU 16 2HG GLU 16 -2.581 4.781 -9.293 106 H ASP 17 H ASP 17 -6.240 1.669 -8.910 107 HA ASP 17 HA ASP 17 -6.528 0.075 -6.543 108 HB2 ASP 17 1HB ASP 17 -8.088 -1.265 -8.103 109 HB3 ASP 17 2HB ASP 17 -8.538 0.391 -7.706 110 H GLN 18 H GLN 18 -5.409 -1.677 -6.022 111 HA GLN 18 HA GLN 18 -3.807 -2.988 -8.105 112 HB2 GLN 18 1HB GLN 18 -3.452 -2.554 -5.185 113 HB3 GLN 18 2HB GLN 18 -2.798 -4.038 -5.865 114 HG2 GLN 18 1HG GLN 18 -1.247 -2.032 -5.709 115 HG3 GLN 18 2HG GLN 18 -1.310 -2.894 -7.245 116 HE21 GLN 18 1HE2 GLN 18 -1.098 0.061 -5.992 117 HE22 GLN 18 2HE2 GLN 18 -1.889 0.989 -7.216 118 H TRP 19 H TRP 19 -3.967 -5.149 -8.511 119 HA TRP 19 HA TRP 19 -6.065 -6.609 -7.043 120 HB2 TRP 19 1HB TRP 19 -5.469 -6.451 -9.976 121 HB3 TRP 19 2HB TRP 19 -6.202 -7.911 -9.316 122 HD1 TRP 19 HD TRP 19 -8.693 -7.675 -8.293 123 HE1 TRP 19 1HE TRP 19 -10.558 -5.964 -8.763 124 HE3 TRP 19 3HE TRP 19 -5.902 -4.030 -10.541 125 HZ2 TRP 19 2HZ TRP 19 -10.811 -3.407 -9.932 126 HZ3 TRP 19 3HZ TRP 19 -7.032 -1.983 -11.307 127 HH2 TRP 19 HH TRP 19 -9.436 -1.680 -11.008 128 H VAL 20 H VAL 20 -5.117 -8.069 -5.781 129 HA VAL 20 HA VAL 20 -3.031 -9.777 -6.956 130 HB VAL 20 HB VAL 20 -1.785 -9.806 -4.875 131 HG11 VAL 20 1HG1 VAL 20 -1.936 -7.665 -6.645 132 HG12 VAL 20 2HG1 VAL 20 -1.896 -6.924 -5.044 133 HG13 VAL 20 3HG1 VAL 20 -0.615 -8.032 -5.536 134 HG21 VAL 20 3HG2 VAL 20 -4.185 -8.565 -3.845 135 HG22 VAL 20 1HG2 VAL 20 -2.868 -9.361 -2.982 136 HG23 VAL 20 2HG2 VAL 20 -2.744 -7.651 -3.399 137 H ALA 21 H ALA 21 -2.600 -11.581 -5.066 138 HA ALA 21 HA ALA 21 -5.252 -12.775 -4.622 139 HB1 ALA 21 3HB ALA 21 -2.643 -13.870 -5.433 140 HB2 ALA 21 1HB ALA 21 -3.562 -14.849 -4.289 141 HB3 ALA 21 2HB ALA 21 -4.275 -14.400 -5.838 142 HA PRO 22 HA PRO 22 -4.801 -12.821 -0.258 143 HB2 PRO 22 1HB PRO 22 -5.731 -15.279 0.423 144 HB3 PRO 22 2HB PRO 22 -6.782 -13.979 -0.150 145 HG2 PRO 22 1HG PRO 22 -5.656 -16.307 -1.657 146 HG3 PRO 22 2HG PRO 22 -7.294 -15.629 -1.706 147 HD2 PRO 22 1HD PRO 22 -5.440 -15.098 -3.606 148 HD3 PRO 22 2HD PRO 22 -6.681 -13.921 -3.126 149 H GLY 23 H GLY 23 -2.439 -12.762 -0.344 150 HA2 GLY 23 1HA GLY 23 -1.059 -14.247 1.356 151 HA3 GLY 23 2HA GLY 23 -1.072 -15.324 -0.033 152 H GLU 24 H GLU 24 -1.106 -12.525 -1.537 153 HA GLU 24 HA GLU 24 1.788 -12.493 -1.857 154 HB2 GLU 24 1HB GLU 24 -0.309 -10.948 -3.391 155 HB3 GLU 24 2HB GLU 24 1.381 -11.150 -3.833 156 HG2 GLU 24 1HG GLU 24 0.755 -13.700 -3.765 157 HG3 GLU 24 2HG GLU 24 -0.874 -13.075 -4.019 158 H ASP 25 H ASP 25 2.532 -10.071 -2.482 159 HA ASP 25 HA ASP 25 1.814 -8.417 -0.151 160 HB2 ASP 25 1HB ASP 25 4.107 -7.455 -0.352 161 HB3 ASP 25 2HB ASP 25 4.099 -9.176 0.025 162 H VAL 26 H VAL 26 0.876 -6.532 -0.559 163 HA VAL 26 HA VAL 26 0.697 -5.585 -3.300 164 HB VAL 26 HB VAL 26 -0.638 -4.675 -0.752 165 HG11 VAL 26 1HG1 VAL 26 -0.425 -2.682 -1.965 166 HG12 VAL 26 2HG1 VAL 26 -0.704 -3.488 -3.510 167 HG13 VAL 26 3HG1 VAL 26 -2.035 -3.275 -2.372 168 HG21 VAL 26 3HG2 VAL 26 -2.307 -5.485 -2.987 169 HG22 VAL 26 1HG2 VAL 26 -1.212 -6.765 -2.465 170 HG23 VAL 26 2HG2 VAL 26 -2.323 -6.029 -1.310 171 H GLU 27 H GLU 27 1.213 -3.444 -3.942 172 HA GLU 27 HA GLU 27 2.941 -1.912 -2.145 173 HB2 GLU 27 1HB GLU 27 3.726 -2.700 -4.956 174 HB3 GLU 27 2HB GLU 27 4.628 -1.614 -3.908 175 HG2 GLU 27 1HG GLU 27 5.222 -3.350 -2.441 176 HG3 GLU 27 2HG GLU 27 4.030 -4.449 -3.134 177 H LEU 28 H LEU 28 1.941 -0.014 -2.018 178 HA LEU 28 HA LEU 28 0.700 1.106 -4.434 179 HB2 LEU 28 1HB LEU 28 0.319 2.085 -1.620 180 HB3 LEU 28 2HB LEU 28 -0.684 2.411 -3.032 181 HG LEU 28 HG LEU 28 -0.435 -0.382 -1.990 182 HD11 LEU 28 1HD1 LEU 28 -1.035 0.651 0.007 183 HD12 LEU 28 2HD1 LEU 28 -2.581 0.188 -0.702 184 HD13 LEU 28 3HD1 LEU 28 -2.031 1.860 -0.805 185 HD21 LEU 28 3HD2 LEU 28 -1.528 0.026 -4.146 186 HD22 LEU 28 1HD2 LEU 28 -2.658 1.129 -3.360 187 HD23 LEU 28 2HD2 LEU 28 -2.664 -0.585 -2.942 188 H ARG 29 H ARG 29 2.326 2.162 -5.466 189 HA ARG 29 HA ARG 29 4.033 3.981 -3.942 190 HB2 ARG 29 1HB ARG 29 4.144 3.106 -6.834 191 HB3 ARG 29 2HB ARG 29 5.293 4.197 -6.072 192 HG2 ARG 29 1HG ARG 29 5.836 2.366 -4.459 193 HG3 ARG 29 2HG ARG 29 4.832 1.294 -5.438 194 HD2 ARG 29 1HD ARG 29 6.344 2.207 -7.389 195 HD3 ARG 29 2HD ARG 29 7.463 2.543 -6.068 196 HE ARG 29 HE ARG 29 6.578 -0.085 -5.787 197 HH11 ARG 29 2HH1 ARG 29 8.449 1.832 -8.011 198 HH12 ARG 29 1HH1 ARG 29 9.426 0.502 -8.538 199 HH21 ARG 29 2HH2 ARG 29 7.858 -1.844 -6.473 200 HH22 ARG 29 1HH2 ARG 29 9.089 -1.588 -7.664 201 H CYS 30 H CYS 30 4.364 6.175 -4.667 202 HA CYS 30 HA CYS 30 2.332 7.319 -6.407 203 HB2 CYS 30 1HB CYS 30 1.299 8.676 -4.853 204 HB3 CYS 30 2HB CYS 30 1.601 7.242 -3.880 205 HG CYS 30 HG CYS 30 2.096 9.519 -2.328 206 H GLU 31 H GLU 31 2.709 9.932 -6.138 207 HA GLU 31 HA GLU 31 5.610 10.387 -6.266 208 HB2 GLU 31 1HB GLU 31 4.368 10.108 -8.545 209 HB3 GLU 31 2HB GLU 31 3.771 11.729 -8.216 210 HG2 GLU 31 1HG GLU 31 6.628 10.862 -8.547 211 HG3 GLU 31 2HG GLU 31 5.692 11.920 -9.600 212 H LEU 32 H LEU 32 6.295 12.205 -5.296 213 HA LEU 32 HA LEU 32 4.245 14.117 -4.388 214 HB2 LEU 32 1HB LEU 32 6.854 13.628 -2.988 215 HB3 LEU 32 2HB LEU 32 5.415 14.439 -2.374 216 HG LEU 32 HG LEU 32 5.259 11.540 -3.064 217 HD11 LEU 32 1HD1 LEU 32 7.255 12.432 -1.396 218 HD12 LEU 32 2HD1 LEU 32 6.546 10.817 -1.395 219 HD13 LEU 32 3HD1 LEU 32 5.943 12.045 -0.282 220 HD21 LEU 32 3HD2 LEU 32 3.955 13.349 -1.036 221 HD22 LEU 32 1HD2 LEU 32 3.711 11.603 -1.105 222 HD23 LEU 32 2HD2 LEU 32 3.213 12.617 -2.460 223 H SER 33 H SER 33 4.527 16.215 -4.861 224 HA SER 33 HA SER 33 6.268 17.076 -6.826 225 HB2 SER 33 1HB SER 33 5.764 19.412 -5.900 226 HB3 SER 33 2HB SER 33 4.378 18.432 -6.380 227 HG SER 33 HG SER 33 3.706 18.797 -4.427 228 H ARG 34 H ARG 34 6.860 16.594 -3.473 229 HA ARG 34 HA ARG 34 9.623 17.467 -3.844 230 HB2 ARG 34 1HB ARG 34 8.664 19.410 -2.840 231 HB3 ARG 34 2HB ARG 34 7.785 18.444 -1.662 232 HG2 ARG 34 1HG ARG 34 9.888 17.802 -0.607 233 HG3 ARG 34 2HG ARG 34 10.778 18.752 -1.799 234 HD2 ARG 34 1HD ARG 34 9.526 20.764 -1.019 235 HD3 ARG 34 2HD ARG 34 8.830 19.773 0.263 236 HE ARG 34 HE ARG 34 11.482 20.863 0.166 237 HH11 ARG 34 2HH1 ARG 34 9.496 18.308 1.450 238 HH12 ARG 34 1HH1 ARG 34 10.525 18.017 2.814 239 HH21 ARG 34 2HH2 ARG 34 12.844 20.490 1.957 240 HH22 ARG 34 1HH2 ARG 34 12.428 19.259 3.102 241 H ALA 35 H ALA 35 11.055 16.108 -2.949 242 HA ALA 35 HA ALA 35 10.182 13.654 -1.829 243 HB1 ALA 35 3HB ALA 35 12.731 14.863 -2.603 244 HB2 ALA 35 1HB ALA 35 12.845 13.741 -1.247 245 HB3 ALA 35 2HB ALA 35 12.159 13.205 -2.781 246 H GLY 36 H GLY 36 11.426 12.855 0.251 247 HA2 GLY 36 1HA GLY 36 11.351 12.904 2.551 248 HA3 GLY 36 2HA GLY 36 12.113 14.475 2.358 249 H THR 37 H THR 37 8.857 13.077 1.934 250 HA THR 37 HA THR 37 7.806 15.284 3.573 251 HB THR 37 HB THR 37 6.616 14.238 0.999 252 HG1 THR 37 1HG THR 37 7.985 15.807 0.416 253 HG21 THR 37 3HG2 THR 37 4.712 15.579 1.374 254 HG22 THR 37 1HG2 THR 37 5.461 16.404 2.740 255 HG23 THR 37 2HG2 THR 37 4.971 14.716 2.889 256 HA PRO 38 HA PRO 38 5.910 12.014 5.858 257 HB2 PRO 38 1HB PRO 38 4.124 13.514 7.246 258 HB3 PRO 38 2HB PRO 38 5.852 13.492 7.616 259 HG2 PRO 38 1HG PRO 38 4.276 15.497 6.048 260 HG3 PRO 38 2HG PRO 38 5.543 15.769 7.258 261 HD2 PRO 38 1HD PRO 38 6.016 15.912 4.596 262 HD3 PRO 38 2HD PRO 38 7.242 15.359 5.755 263 H VAL 39 H VAL 39 4.168 10.686 5.664 264 HA VAL 39 HA VAL 39 1.903 11.650 4.042 265 HB VAL 39 HB VAL 39 3.468 10.046 2.850 266 HG11 VAL 39 1HG1 VAL 39 2.153 7.868 4.413 267 HG12 VAL 39 2HG1 VAL 39 3.639 7.829 3.463 268 HG13 VAL 39 3HG1 VAL 39 3.616 8.629 5.035 269 HG21 VAL 39 3HG2 VAL 39 0.923 10.480 2.458 270 HG22 VAL 39 1HG2 VAL 39 1.730 9.146 1.631 271 HG23 VAL 39 2HG2 VAL 39 0.747 8.832 3.062 272 H HIS 40 H HIS 40 -0.095 10.347 4.335 273 HA HIS 40 HA HIS 40 -0.290 9.158 7.017 274 HB2 HIS 40 1HB HIS 40 -1.178 11.637 6.646 275 HB3 HIS 40 2HB HIS 40 -2.580 10.782 6.009 276 HD1 HIS 40 1HD HIS 40 -2.740 12.472 8.596 277 HD2 HIS 40 2HD HIS 40 -2.076 8.372 8.496 278 HE1 HIS 40 1HE HIS 40 -3.477 11.617 10.843 279 HE2 HIS 40 2HE HIS 40 -2.986 9.147 10.790 280 H TRP 41 H TRP 41 -0.425 7.078 6.235 281 HA TRP 41 HA TRP 41 -2.237 6.372 4.121 282 HB2 TRP 41 1HB TRP 41 -0.648 4.662 6.046 283 HB3 TRP 41 2HB TRP 41 -1.581 4.035 4.689 284 HD1 TRP 41 HD TRP 41 1.720 5.670 5.538 285 HE1 TRP 41 1HE TRP 41 3.181 5.784 3.423 286 HE3 TRP 41 3HE TRP 41 -1.771 4.297 2.065 287 HZ2 TRP 41 2HZ TRP 41 2.893 5.350 0.648 288 HZ3 TRP 41 3HZ TRP 41 -1.097 4.172 -0.299 289 HH2 TRP 41 HH TRP 41 1.186 4.688 -0.990 290 H LEU 42 H LEU 42 -4.361 6.425 4.457 291 HA LEU 42 HA LEU 42 -5.400 5.495 7.050 292 HB2 LEU 42 1HB LEU 42 -6.769 7.220 4.993 293 HB3 LEU 42 2HB LEU 42 -7.394 6.790 6.584 294 HG LEU 42 HG LEU 42 -4.808 8.256 6.442 295 HD11 LEU 42 1HD1 LEU 42 -6.413 10.351 6.592 296 HD12 LEU 42 2HD1 LEU 42 -7.442 9.328 5.589 297 HD13 LEU 42 3HD1 LEU 42 -5.817 9.745 5.046 298 HD21 LEU 42 3HD2 LEU 42 -5.278 7.948 8.629 299 HD22 LEU 42 1HD2 LEU 42 -7.011 7.783 8.348 300 HD23 LEU 42 2HD2 LEU 42 -6.274 9.385 8.392 301 H LYS 43 H LYS 43 -6.549 3.678 7.120 302 HA LYS 43 HA LYS 43 -7.529 2.556 4.577 303 HB2 LYS 43 1HB LYS 43 -5.643 1.323 5.731 304 HB3 LYS 43 2HB LYS 43 -6.770 0.978 7.036 305 HG2 LYS 43 1HG LYS 43 -7.581 0.268 4.270 306 HG3 LYS 43 2HG LYS 43 -6.355 -0.722 5.064 307 HD2 LYS 43 1HD LYS 43 -8.072 -0.681 7.053 308 HD3 LYS 43 2HD LYS 43 -9.226 -0.319 5.767 309 HE2 LYS 43 1HE LYS 43 -8.365 -2.339 4.557 310 HE3 LYS 43 2HE LYS 43 -7.429 -2.728 6.000 311 HZ1 LYS 43 3HZ LYS 43 -10.362 -2.702 5.662 312 HZ2 LYS 43 1HZ LYS 43 -9.661 -2.598 7.198 313 HZ3 LYS 43 2HZ LYS 43 -9.373 -3.953 6.227 314 H ASP 44 H ASP 44 -9.642 3.069 4.528 315 HA ASP 44 HA ASP 44 -11.861 3.004 5.031 316 HB2 ASP 44 1HB ASP 44 -11.126 0.599 5.711 317 HB3 ASP 44 2HB ASP 44 -11.306 1.192 7.360 318 H ARG 45 H ARG 45 -10.459 5.137 6.005 319 HA ARG 45 HA ARG 45 -10.685 6.899 7.427 320 HB2 ARG 45 1HB ARG 45 -12.996 5.341 8.598 321 HB3 ARG 45 2HB ARG 45 -12.678 7.057 8.815 322 HG2 ARG 45 1HG ARG 45 -12.994 6.026 6.048 323 HG3 ARG 45 2HG ARG 45 -14.432 6.189 7.058 324 HD2 ARG 45 1HD ARG 45 -12.442 8.406 6.616 325 HD3 ARG 45 2HD ARG 45 -13.886 8.183 5.630 326 HE ARG 45 HE ARG 45 -14.381 8.340 8.468 327 HH11 ARG 45 2HH1 ARG 45 -14.066 10.104 5.483 328 HH12 ARG 45 1HH1 ARG 45 -14.996 11.459 6.034 329 HH21 ARG 45 2HH2 ARG 45 -15.606 10.117 9.205 330 HH22 ARG 45 1HH2 ARG 45 -15.870 11.466 8.152 331 H LYS 46 H LYS 46 -8.820 4.932 8.055 332 HA LYS 46 HA LYS 46 -8.670 5.274 10.953 333 HB2 LYS 46 1HB LYS 46 -8.517 2.636 9.507 334 HB3 LYS 46 2HB LYS 46 -7.789 2.871 11.090 335 HG2 LYS 46 1HG LYS 46 -10.684 3.459 10.567 336 HG3 LYS 46 2HG LYS 46 -10.112 1.851 11.016 337 HD2 LYS 46 1HD LYS 46 -9.433 4.283 12.643 338 HD3 LYS 46 2HD LYS 46 -10.934 3.388 12.892 339 HE2 LYS 46 1HE LYS 46 -9.672 1.361 13.347 340 HE3 LYS 46 2HE LYS 46 -8.160 2.210 13.030 341 HZ1 LYS 46 3HZ LYS 46 -8.640 2.007 15.407 342 HZ2 LYS 46 1HZ LYS 46 -10.068 2.891 15.202 343 HZ3 LYS 46 2HZ LYS 46 -8.571 3.625 14.921 344 H ALA 47 H ALA 47 -6.711 5.930 11.574 345 HA ALA 47 HA ALA 47 -4.650 6.357 9.659 346 HB1 ALA 47 3HB ALA 47 -5.024 7.872 11.546 347 HB2 ALA 47 1HB ALA 47 -4.536 6.597 12.663 348 HB3 ALA 47 2HB ALA 47 -3.370 7.263 11.519 349 H ILE 48 H ILE 48 -3.401 4.792 8.884 350 HA ILE 48 HA ILE 48 -2.946 2.346 10.328 351 HB ILE 48 HB ILE 48 -1.599 3.228 7.778 352 HG12 ILE 48 1HG1 ILE 48 -4.106 1.563 7.968 353 HG13 ILE 48 2HG1 ILE 48 -4.154 3.310 7.760 354 HG21 ILE 48 1HG2 ILE 48 -1.929 0.621 9.207 355 HG22 ILE 48 2HG2 ILE 48 -1.695 0.660 7.460 356 HG23 ILE 48 3HG2 ILE 48 -0.472 1.348 8.529 357 HD11 ILE 48 3HD1 ILE 48 -2.461 2.615 5.775 358 HD12 ILE 48 1HD1 ILE 48 -3.504 1.194 5.840 359 HD13 ILE 48 2HD1 ILE 48 -4.205 2.792 5.584 360 H ARG 49 H ARG 49 -0.768 1.467 10.685 361 HA ARG 49 HA ARG 49 1.193 3.568 11.330 362 HB2 ARG 49 1HB ARG 49 1.863 2.145 13.284 363 HB3 ARG 49 2HB ARG 49 0.258 2.852 13.412 364 HG2 ARG 49 1HG ARG 49 -0.219 0.740 14.082 365 HG3 ARG 49 2HG ARG 49 -0.448 0.537 12.344 366 HD2 ARG 49 1HD ARG 49 2.272 0.106 13.462 367 HD3 ARG 49 2HD ARG 49 1.046 -1.125 13.764 368 HE ARG 49 HE ARG 49 2.310 -0.504 11.245 369 HH11 ARG 49 2HH1 ARG 49 -0.410 -1.991 12.830 370 HH12 ARG 49 1HH1 ARG 49 -0.782 -3.035 11.498 371 HH21 ARG 49 2HH2 ARG 49 1.831 -1.874 9.485 372 HH22 ARG 49 1HH2 ARG 49 0.494 -2.968 9.597 373 H LYS 50 H LYS 50 3.437 2.713 11.558 374 HA LYS 50 HA LYS 50 4.018 0.975 9.314 375 HB2 LYS 50 1HB LYS 50 5.315 3.033 9.636 376 HB3 LYS 50 2HB LYS 50 5.868 2.447 11.200 377 HG2 LYS 50 1HG LYS 50 6.920 0.516 10.000 378 HG3 LYS 50 2HG LYS 50 6.528 1.334 8.486 379 HD2 LYS 50 1HD LYS 50 8.096 2.959 8.801 380 HD3 LYS 50 2HD LYS 50 7.955 2.905 10.559 381 HE2 LYS 50 1HE LYS 50 9.999 1.930 10.336 382 HE3 LYS 50 2HE LYS 50 8.992 0.491 10.185 383 HZ1 LYS 50 3HZ LYS 50 9.688 2.002 7.766 384 HZ2 LYS 50 1HZ LYS 50 9.366 0.351 7.947 385 HZ3 LYS 50 2HZ LYS 50 10.850 0.984 8.455 386 H SER 51 H SER 51 4.503 -1.117 9.441 387 HA SER 51 HA SER 51 5.894 -2.287 11.628 388 HB2 SER 51 1HB SER 51 3.490 -1.975 12.497 389 HB3 SER 51 2HB SER 51 3.052 -3.254 11.365 390 HG SER 51 HG SER 51 3.708 -4.580 12.843 391 H GLN 52 H GLN 52 5.567 -4.852 11.427 392 HA GLN 52 HA GLN 52 6.772 -5.686 9.129 393 HB2 GLN 52 1HB GLN 52 4.986 -7.117 11.067 394 HB3 GLN 52 2HB GLN 52 5.611 -7.958 9.655 395 HG2 GLN 52 1HG GLN 52 7.355 -6.545 11.655 396 HG3 GLN 52 2HG GLN 52 6.935 -8.255 11.753 397 HE21 GLN 52 1HE2 GLN 52 9.220 -8.637 11.629 398 HE22 GLN 52 2HE2 GLN 52 10.012 -8.638 10.093 399 H LYS 53 H LYS 53 3.293 -5.478 9.738 400 HA LYS 53 HA LYS 53 2.490 -6.606 7.265 401 HB2 LYS 53 1HB LYS 53 0.950 -6.537 9.125 402 HB3 LYS 53 2HB LYS 53 1.041 -4.782 9.189 403 HG2 LYS 53 1HG LYS 53 -1.024 -5.410 8.162 404 HG3 LYS 53 2HG LYS 53 0.022 -4.695 6.932 405 HD2 LYS 53 1HD LYS 53 -0.710 -6.537 5.793 406 HD3 LYS 53 2HD LYS 53 0.721 -7.220 6.570 407 HE2 LYS 53 1HE LYS 53 -1.875 -7.331 8.022 408 HE3 LYS 53 2HE LYS 53 -1.624 -8.434 6.669 409 HZ1 LYS 53 3HZ LYS 53 -0.808 -9.660 8.397 410 HZ2 LYS 53 1HZ LYS 53 -0.236 -8.316 9.251 411 HZ3 LYS 53 2HZ LYS 53 0.612 -8.884 7.903 412 H TYR 54 H TYR 54 2.082 -3.222 8.312 413 HA TYR 54 HA TYR 54 2.220 -2.393 5.513 414 HB2 TYR 54 1HB TYR 54 1.489 -0.784 7.968 415 HB3 TYR 54 2HB TYR 54 1.340 -0.251 6.297 416 HD1 TYR 54 2HD TYR 54 0.113 -2.461 4.926 417 HD2 TYR 54 1HD TYR 54 -0.629 -1.020 8.860 418 HE1 TYR 54 2HE TYR 54 -2.164 -3.386 4.830 419 HE2 TYR 54 1HE TYR 54 -2.908 -1.942 8.775 420 HH TYR 54 HH TYR 54 -3.937 -4.065 6.260 421 H ASP 55 H ASP 55 4.186 -1.961 4.768 422 HA ASP 55 HA ASP 55 6.143 -0.699 6.563 423 HB2 ASP 55 1HB ASP 55 6.678 -2.057 3.916 424 HB3 ASP 55 2HB ASP 55 7.869 -1.545 5.108 425 H VAL 56 H VAL 56 6.209 1.437 6.376 426 HA VAL 56 HA VAL 56 5.385 2.769 3.949 427 HB VAL 56 HB VAL 56 6.565 3.997 6.443 428 HG11 VAL 56 1HG1 VAL 56 4.721 5.302 4.467 429 HG12 VAL 56 2HG1 VAL 56 5.762 6.057 5.676 430 HG13 VAL 56 3HG1 VAL 56 6.471 5.307 4.246 431 HG21 VAL 56 3HG2 VAL 56 4.064 4.527 6.849 432 HG22 VAL 56 1HG2 VAL 56 3.770 3.168 5.764 433 HG23 VAL 56 2HG2 VAL 56 4.674 2.923 7.258 434 H VAL 57 H VAL 57 6.699 3.145 2.302 435 HA VAL 57 HA VAL 57 9.569 3.545 2.848 436 HB VAL 57 HB VAL 57 8.350 2.236 0.413 437 HG11 VAL 57 1HG1 VAL 57 11.027 3.306 1.006 438 HG12 VAL 57 2HG1 VAL 57 10.994 1.692 0.291 439 HG13 VAL 57 3HG1 VAL 57 10.224 3.044 -0.542 440 HG21 VAL 57 3HG2 VAL 57 8.545 0.284 1.458 441 HG22 VAL 57 1HG2 VAL 57 10.231 0.619 1.851 442 HG23 VAL 57 2HG2 VAL 57 8.949 1.155 2.937 443 H CYS 58 H CYS 58 9.110 5.823 2.975 444 HA CYS 58 HA CYS 58 8.340 7.095 0.450 445 HB2 CYS 58 1HB CYS 58 7.108 7.889 2.368 446 HB3 CYS 58 2HB CYS 58 8.597 8.195 3.254 447 HG CYS 58 HG CYS 58 8.760 9.892 0.477 448 H GLU 59 H GLU 59 10.260 6.817 -0.708 449 HA GLU 59 HA GLU 59 12.453 8.560 0.178 450 HB2 GLU 59 1HB GLU 59 12.639 5.731 -0.826 451 HB3 GLU 59 2HB GLU 59 13.991 6.844 -0.980 452 HG2 GLU 59 1HG GLU 59 14.061 5.341 1.015 453 HG3 GLU 59 2HG GLU 59 14.202 7.063 1.364 454 H GLY 60 H GLY 60 13.821 9.340 -1.572 455 HA2 GLY 60 1HA GLY 60 13.777 10.651 -3.502 456 HA3 GLY 60 2HA GLY 60 13.749 9.045 -4.213 457 H THR 61 H THR 61 11.513 11.427 -2.791 458 HA THR 61 HA THR 61 9.295 11.832 -3.245 459 HB THR 61 HB THR 61 9.020 12.161 -5.862 460 HG1 THR 61 1HG THR 61 11.155 11.066 -6.133 461 HG21 THR 61 3HG2 THR 61 10.961 14.077 -4.716 462 HG22 THR 61 1HG2 THR 61 9.481 13.814 -3.794 463 HG23 THR 61 2HG2 THR 61 9.392 14.366 -5.468 464 H MET 62 H MET 62 9.559 9.150 -2.787 465 HA MET 62 HA MET 62 7.478 8.081 -4.522 466 HB2 MET 62 1HB MET 62 9.505 7.278 -5.584 467 HB3 MET 62 2HB MET 62 10.114 6.683 -4.045 468 HG2 MET 62 1HG MET 62 7.929 5.261 -4.057 469 HG3 MET 62 2HG MET 62 7.969 5.577 -5.790 470 HE1 MET 62 3HE MET 62 11.262 3.521 -3.373 471 HE2 MET 62 1HE MET 62 10.152 4.784 -2.838 472 HE3 MET 62 2HE MET 62 9.589 3.118 -2.981 473 H ALA 63 H ALA 63 5.929 7.708 -3.069 474 HA ALA 63 HA ALA 63 6.655 6.557 -0.468 475 HB1 ALA 63 3HB ALA 63 4.656 7.415 0.399 476 HB2 ALA 63 1HB ALA 63 5.249 8.680 -0.677 477 HB3 ALA 63 2HB ALA 63 3.944 7.616 -1.202 478 H MET 64 H MET 64 6.683 4.396 -0.540 479 HA MET 64 HA MET 64 4.484 3.022 -1.939 480 HB2 MET 64 1HB MET 64 6.863 2.606 -2.717 481 HB3 MET 64 2HB MET 64 7.140 1.812 -1.173 482 HG2 MET 64 1HG MET 64 5.413 0.183 -1.679 483 HG3 MET 64 2HG MET 64 5.077 0.996 -3.205 484 HE1 MET 64 3HE MET 64 8.843 0.594 -1.886 485 HE2 MET 64 1HE MET 64 7.844 -0.600 -1.056 486 HE3 MET 64 2HE MET 64 9.049 -1.124 -2.233 487 H LEU 65 H LEU 65 3.247 1.553 -0.864 488 HA LEU 65 HA LEU 65 3.840 1.159 1.995 489 HB2 LEU 65 1HB LEU 65 1.945 2.635 1.722 490 HB3 LEU 65 2HB LEU 65 1.167 1.481 0.641 491 HG LEU 65 HG LEU 65 1.115 -0.112 2.623 492 HD11 LEU 65 1HD1 LEU 65 1.037 1.245 4.821 493 HD12 LEU 65 2HD1 LEU 65 2.040 2.405 3.950 494 HD13 LEU 65 3HD1 LEU 65 2.602 0.749 4.176 495 HD21 LEU 65 3HD2 LEU 65 -0.690 1.671 3.696 496 HD22 LEU 65 1HD2 LEU 65 -1.004 0.541 2.379 497 HD23 LEU 65 2HD2 LEU 65 -0.539 2.204 2.021 498 H VAL 66 H VAL 66 4.708 -0.849 1.991 499 HA VAL 66 HA VAL 66 3.691 -2.972 0.350 500 HB VAL 66 HB VAL 66 5.550 -3.252 2.709 501 HG11 VAL 66 1HG1 VAL 66 6.159 -4.971 0.537 502 HG12 VAL 66 2HG1 VAL 66 5.587 -5.399 2.150 503 HG13 VAL 66 3HG1 VAL 66 4.429 -5.090 0.856 504 HG21 VAL 66 3HG2 VAL 66 6.836 -1.792 1.548 505 HG22 VAL 66 1HG2 VAL 66 7.220 -3.235 0.610 506 HG23 VAL 66 2HG2 VAL 66 6.003 -2.101 0.024 507 H ILE 67 H ILE 67 2.458 -4.719 0.938 508 HA ILE 67 HA ILE 67 1.322 -4.686 3.656 509 HB ILE 67 HB ILE 67 -0.178 -5.262 1.098 510 HG12 ILE 67 1HG1 ILE 67 -0.789 -3.064 3.055 511 HG13 ILE 67 2HG1 ILE 67 0.411 -2.826 1.790 512 HG21 ILE 67 1HG2 ILE 67 -1.711 -4.930 3.556 513 HG22 ILE 67 2HG2 ILE 67 -1.843 -6.153 2.293 514 HG23 ILE 67 3HG2 ILE 67 -0.648 -6.336 3.577 515 HD11 ILE 67 3HD1 ILE 67 -2.015 -2.078 1.380 516 HD12 ILE 67 1HD1 ILE 67 -1.162 -2.944 0.102 517 HD13 ILE 67 2HD1 ILE 67 -2.332 -3.792 1.114 518 H ARG 68 H ARG 68 2.673 -6.342 4.361 519 HA ARG 68 HA ARG 68 3.230 -8.721 3.024 520 HB2 ARG 68 1HB ARG 68 3.258 -7.857 5.876 521 HB3 ARG 68 2HB ARG 68 3.374 -9.579 5.538 522 HG2 ARG 68 1HG ARG 68 5.195 -7.525 4.313 523 HG3 ARG 68 2HG ARG 68 5.557 -8.388 5.809 524 HD2 ARG 68 1HD ARG 68 4.915 -9.785 3.222 525 HD3 ARG 68 2HD ARG 68 6.557 -9.348 3.693 526 HE ARG 68 HE ARG 68 4.939 -11.473 4.784 527 HH11 ARG 68 2HH1 ARG 68 7.684 -9.386 5.261 528 HH12 ARG 68 1HH1 ARG 68 8.459 -10.446 6.392 529 HH21 ARG 68 2HH2 ARG 68 5.949 -12.877 6.272 530 HH22 ARG 68 1HH2 ARG 68 7.471 -12.432 6.965 531 H GLY 69 H GLY 69 2.101 -10.516 2.606 532 HA2 GLY 69 1HA GLY 69 0.292 -11.924 2.436 533 HA3 GLY 69 2HA GLY 69 0.199 -11.746 4.182 534 H ALA 70 H ALA 70 -0.765 -10.173 1.150 535 HA ALA 70 HA ALA 70 -2.826 -8.641 2.468 536 HB1 ALA 70 3HB ALA 70 -2.394 -7.347 0.711 537 HB2 ALA 70 1HB ALA 70 -1.535 -8.646 -0.117 538 HB3 ALA 70 2HB ALA 70 -3.287 -8.509 -0.269 539 H SER 71 H SER 71 -4.416 -9.907 3.287 540 HA SER 71 HA SER 71 -5.548 -12.049 1.671 541 HB2 SER 71 1HB SER 71 -6.059 -11.150 4.512 542 HB3 SER 71 2HB SER 71 -6.949 -12.456 3.731 543 HG SER 71 HG SER 71 -5.343 -13.569 4.572 544 H LEU 72 H LEU 72 -7.986 -12.230 1.648 545 HA LEU 72 HA LEU 72 -9.167 -10.329 0.127 546 HB2 LEU 72 1HB LEU 72 -10.613 -11.918 2.240 547 HB3 LEU 72 2HB LEU 72 -11.320 -11.213 0.787 548 HG LEU 72 HG LEU 72 -9.199 -13.345 0.680 549 HD11 LEU 72 1HD1 LEU 72 -10.985 -14.969 0.371 550 HD12 LEU 72 2HD1 LEU 72 -12.192 -13.717 0.660 551 HD13 LEU 72 3HD1 LEU 72 -11.100 -14.204 1.956 552 HD21 LEU 72 3HD2 LEU 72 -11.315 -12.706 -1.349 553 HD22 LEU 72 1HD2 LEU 72 -9.798 -13.580 -1.565 554 HD23 LEU 72 2HD2 LEU 72 -9.782 -11.835 -1.306 555 H LYS 73 H LYS 73 -8.865 -10.304 3.619 556 HA LYS 73 HA LYS 73 -10.646 -8.166 4.128 557 HB2 LYS 73 1HB LYS 73 -9.598 -9.860 5.776 558 HB3 LYS 73 2HB LYS 73 -8.225 -8.761 5.809 559 HG2 LYS 73 1HG LYS 73 -9.663 -6.963 6.596 560 HG3 LYS 73 2HG LYS 73 -11.060 -8.041 6.529 561 HD2 LYS 73 1HD LYS 73 -10.364 -7.999 8.791 562 HD3 LYS 73 2HD LYS 73 -9.814 -9.544 8.138 563 HE2 LYS 73 1HE LYS 73 -7.640 -8.114 7.619 564 HE3 LYS 73 2HE LYS 73 -8.251 -7.157 8.968 565 HZ1 LYS 73 3HZ LYS 73 -6.797 -9.500 9.106 566 HZ2 LYS 73 1HZ LYS 73 -8.366 -9.918 9.582 567 HZ3 LYS 73 2HZ LYS 73 -7.539 -8.682 10.387 568 H ASP 74 H ASP 74 -7.091 -8.237 3.883 569 HA ASP 74 HA ASP 74 -6.332 -5.719 4.303 570 HB2 ASP 74 1HB ASP 74 -5.094 -7.770 3.148 571 HB3 ASP 74 2HB ASP 74 -5.408 -6.826 1.694 572 H ALA 75 H ALA 75 -7.895 -6.788 1.299 573 HA ALA 75 HA ALA 75 -7.835 -4.505 -0.197 574 HB1 ALA 75 3HB ALA 75 -10.406 -5.420 -0.621 575 HB2 ALA 75 1HB ALA 75 -8.952 -5.959 -1.462 576 HB3 ALA 75 2HB ALA 75 -9.540 -6.849 -0.057 577 H GLY 76 H GLY 76 -8.369 -2.472 0.235 578 HA2 GLY 76 1HA GLY 76 -10.933 -1.802 1.345 579 HA3 GLY 76 2HA GLY 76 -9.612 -1.494 2.463 580 H GLU 77 H GLU 77 -10.820 0.694 2.021 581 HA GLU 77 HA GLU 77 -9.870 2.029 -0.380 582 HB2 GLU 77 1HB GLU 77 -12.179 2.313 0.875 583 HB3 GLU 77 2HB GLU 77 -11.268 3.476 1.828 584 HG2 GLU 77 1HG GLU 77 -10.627 4.596 -0.315 585 HG3 GLU 77 2HG GLU 77 -11.761 3.525 -1.136 586 H TYR 78 H TYR 78 -7.710 2.372 -0.245 587 HA TYR 78 HA TYR 78 -6.537 3.420 2.196 588 HB2 TYR 78 1HB TYR 78 -5.395 2.539 -0.449 589 HB3 TYR 78 2HB TYR 78 -4.411 3.349 0.764 590 HD1 TYR 78 2HD TYR 78 -6.716 0.435 0.395 591 HD2 TYR 78 1HD TYR 78 -3.310 2.070 2.352 592 HE1 TYR 78 2HE TYR 78 -6.330 -1.722 1.512 593 HE2 TYR 78 1HE TYR 78 -2.914 -0.083 3.474 594 HH TYR 78 HH TYR 78 -4.466 -2.950 2.548 595 H THR 79 H THR 79 -6.579 5.520 2.600 596 HA THR 79 HA THR 79 -6.622 7.406 0.344 597 HB THR 79 HB THR 79 -7.459 7.819 3.221 598 HG1 THR 79 1HG THR 79 -9.146 8.047 0.973 599 HG21 THR 79 3HG2 THR 79 -7.267 10.009 2.866 600 HG22 THR 79 1HG2 THR 79 -8.402 9.878 1.523 601 HG23 THR 79 2HG2 THR 79 -6.670 9.713 1.233 602 H CYS 80 H CYS 80 -4.569 7.938 -0.134 603 HA CYS 80 HA CYS 80 -2.559 8.233 1.911 604 HB2 CYS 80 1HB CYS 80 -2.344 7.450 -0.614 605 HB3 CYS 80 2HB CYS 80 -2.114 9.173 -0.886 606 HG CYS 80 HG CYS 80 -0.219 7.430 1.359 607 H GLU 81 H GLU 81 -3.279 9.935 3.202 608 HA GLU 81 HA GLU 81 -3.794 12.523 2.000 609 HB2 GLU 81 1HB GLU 81 -4.866 11.389 4.156 610 HB3 GLU 81 2HB GLU 81 -3.514 12.188 4.947 611 HG2 GLU 81 1HG GLU 81 -4.396 14.251 3.539 612 HG3 GLU 81 2HG GLU 81 -5.905 13.347 3.638 613 H VAL 82 H VAL 82 -2.114 13.699 1.360 614 HA VAL 82 HA VAL 82 0.447 13.484 2.733 615 HB VAL 82 HB VAL 82 0.110 13.567 0.163 616 HG11 VAL 82 1HG1 VAL 82 -0.115 16.482 0.890 617 HG12 VAL 82 2HG1 VAL 82 0.290 15.898 -0.726 618 HG13 VAL 82 3HG1 VAL 82 -1.274 15.505 -0.011 619 HG21 VAL 82 3HG2 VAL 82 2.224 14.136 1.831 620 HG22 VAL 82 1HG2 VAL 82 2.319 13.893 0.087 621 HG23 VAL 82 2HG2 VAL 82 2.188 15.525 0.744 622 H GLU 83 H GLU 83 1.642 15.782 2.701 623 HA GLU 83 HA GLU 83 1.067 17.231 4.820 624 HB2 GLU 83 1HB GLU 83 1.661 19.339 3.250 625 HB3 GLU 83 2HB GLU 83 2.860 18.185 3.818 626 HG2 GLU 83 1HG GLU 83 3.080 17.190 1.772 627 HG3 GLU 83 2HG GLU 83 1.451 17.628 1.261 628 H ALA 84 H ALA 84 -0.211 18.414 1.707 629 HA ALA 84 HA ALA 84 -2.549 19.448 3.176 630 HB1 ALA 84 3HB ALA 84 -0.902 21.063 2.012 631 HB2 ALA 84 1HB ALA 84 -1.675 20.522 0.522 632 HB3 ALA 84 2HB ALA 84 -2.634 21.300 1.781 633 H SER 85 H SER 85 -1.480 17.962 0.142 634 HA SER 85 HA SER 85 -4.137 17.581 -0.851 635 HB2 SER 85 1HB SER 85 -1.391 16.831 -1.721 636 HB3 SER 85 2HB SER 85 -2.728 15.873 -2.356 637 HG SER 85 HG SER 85 -2.146 18.591 -2.726 638 H LYS 86 H LYS 86 -4.623 15.190 -1.633 639 HA LYS 86 HA LYS 86 -3.867 13.060 0.078 640 HB2 LYS 86 1HB LYS 86 -5.701 12.819 1.493 641 HB3 LYS 86 2HB LYS 86 -5.411 14.553 1.522 642 HG2 LYS 86 1HG LYS 86 -7.657 14.566 1.223 643 HG3 LYS 86 2HG LYS 86 -7.156 14.506 -0.468 644 HD2 LYS 86 1HD LYS 86 -7.804 12.328 -0.725 645 HD3 LYS 86 2HD LYS 86 -7.517 11.930 0.971 646 HE2 LYS 86 1HE LYS 86 -9.746 13.751 0.105 647 HE3 LYS 86 2HE LYS 86 -9.941 12.000 0.176 648 HZ1 LYS 86 3HZ LYS 86 -9.770 11.983 2.450 649 HZ2 LYS 86 1HZ LYS 86 -10.561 13.459 2.210 650 HZ3 LYS 86 2HZ LYS 86 -8.899 13.431 2.523 651 H SER 87 H SER 87 -4.175 11.230 -1.014 652 HA SER 87 HA SER 87 -6.095 11.261 -3.244 653 HB2 SER 87 1HB SER 87 -3.709 10.942 -3.863 654 HB3 SER 87 2HB SER 87 -3.671 9.483 -2.875 655 HG SER 87 HG SER 87 -5.178 8.551 -4.248 656 H THR 88 H THR 88 -7.134 9.185 -3.762 657 HA THR 88 HA THR 88 -7.449 7.391 -1.463 658 HB THR 88 HB THR 88 -9.764 8.632 -2.963 659 HG1 THR 88 1HG THR 88 -8.475 9.707 -1.074 660 HG21 THR 88 3HG2 THR 88 -11.136 7.087 -2.084 661 HG22 THR 88 1HG2 THR 88 -10.311 7.109 -0.526 662 HG23 THR 88 2HG2 THR 88 -9.675 6.128 -1.847 663 H ALA 89 H ALA 89 -7.596 5.289 -1.999 664 HA ALA 89 HA ALA 89 -8.315 4.549 -4.737 665 HB1 ALA 89 3HB ALA 89 -6.382 3.067 -4.944 666 HB2 ALA 89 1HB ALA 89 -5.886 4.749 -4.751 667 HB3 ALA 89 2HB ALA 89 -5.777 3.635 -3.388 668 H SER 90 H SER 90 -8.053 1.935 -4.776 669 HA SER 90 HA SER 90 -9.139 0.822 -2.300 670 HB2 SER 90 1HB SER 90 -11.178 1.290 -3.366 671 HB3 SER 90 2HB SER 90 -10.543 0.886 -4.961 672 HG SER 90 HG SER 90 -11.166 -0.890 -2.841 673 H LEU 91 H LEU 91 -8.307 -1.116 -1.856 674 HA LEU 91 HA LEU 91 -6.637 -2.400 -3.878 675 HB2 LEU 91 1HB LEU 91 -5.463 -2.157 -1.886 676 HB3 LEU 91 2HB LEU 91 -6.857 -2.591 -0.900 677 HG LEU 91 HG LEU 91 -6.607 -4.940 -1.741 678 HD11 LEU 91 1HD1 LEU 91 -5.274 -4.263 -3.761 679 HD12 LEU 91 2HD1 LEU 91 -4.621 -5.621 -2.845 680 HD13 LEU 91 3HD1 LEU 91 -3.900 -4.020 -2.681 681 HD21 LEU 91 3HD2 LEU 91 -4.020 -4.478 -0.486 682 HD22 LEU 91 1HD2 LEU 91 -5.420 -5.379 0.097 683 HD23 LEU 91 2HD2 LEU 91 -5.341 -3.630 0.319 684 H HIS 92 H HIS 92 -6.986 -4.415 -4.681 685 HA HIS 92 HA HIS 92 -9.459 -5.771 -3.825 686 HB2 HIS 92 1HB HIS 92 -8.253 -5.901 -6.591 687 HB3 HIS 92 2HB HIS 92 -9.837 -6.479 -6.082 688 HD1 HIS 92 1HD HIS 92 -11.536 -4.494 -5.303 689 HD2 HIS 92 2HD HIS 92 -8.255 -3.378 -7.596 690 HE1 HIS 92 1HE HIS 92 -12.094 -2.217 -6.213 691 HE2 HIS 92 2HE HIS 92 -10.132 -1.600 -7.666 692 H VAL 93 H VAL 93 -9.442 -8.003 -3.637 693 HA VAL 93 HA VAL 93 -7.064 -9.516 -4.282 694 HB VAL 93 HB VAL 93 -6.197 -8.895 -2.231 695 HG11 VAL 93 1HG1 VAL 93 -9.044 -8.784 -1.337 696 HG12 VAL 93 2HG1 VAL 93 -7.756 -8.944 -0.141 697 HG13 VAL 93 3HG1 VAL 93 -7.784 -7.555 -1.228 698 HG21 VAL 93 3HG2 VAL 93 -6.469 -10.802 -0.702 699 HG22 VAL 93 1HG2 VAL 93 -7.875 -11.328 -1.628 700 HG23 VAL 93 2HG2 VAL 93 -6.278 -11.319 -2.377 701 H GLU 94 H GLU 94 -7.591 -11.547 -4.805 702 HA GLU 94 HA GLU 94 -9.960 -12.788 -3.641 703 HB2 GLU 94 1HB GLU 94 -9.607 -12.143 -6.549 704 HB3 GLU 94 2HB GLU 94 -10.539 -13.553 -6.065 705 HG2 GLU 94 1HG GLU 94 -11.950 -12.045 -4.667 706 HG3 GLU 94 2HG GLU 94 -11.091 -10.679 -5.375 707 H GLU 95 H GLU 95 -9.841 -14.991 -3.501 708 HA GLU 95 HA GLU 95 -7.253 -16.168 -3.811 709 HB2 GLU 95 1HB GLU 95 -8.969 -16.692 -1.997 710 HB3 GLU 95 2HB GLU 95 -9.814 -17.641 -3.212 711 HG2 GLU 95 1HG GLU 95 -6.925 -18.168 -2.757 712 HG3 GLU 95 2HG GLU 95 -8.090 -18.739 -1.563 713 H LYS 96 H LYS 96 -6.787 -18.104 -5.029 714 HA LYS 96 HA LYS 96 -7.833 -17.952 -7.707 715 HB2 LYS 96 1HB LYS 96 -5.770 -19.758 -6.438 716 HB3 LYS 96 2HB LYS 96 -6.191 -19.801 -8.145 717 HG2 LYS 96 1HG LYS 96 -5.511 -17.413 -8.306 718 HG3 LYS 96 2HG LYS 96 -4.942 -17.515 -6.638 719 HD2 LYS 96 1HD LYS 96 -3.985 -19.549 -8.589 720 HD3 LYS 96 2HD LYS 96 -3.314 -17.919 -8.679 721 HE2 LYS 96 1HE LYS 96 -1.843 -18.849 -7.205 722 HE3 LYS 96 2HE LYS 96 -3.062 -18.271 -6.069 723 HZ1 LYS 96 3HZ LYS 96 -2.310 -20.598 -5.697 724 HZ2 LYS 96 1HZ LYS 96 -3.023 -21.025 -7.170 725 HZ3 LYS 96 2HZ LYS 96 -3.981 -20.439 -5.906 726 H ALA 97 H ALA 97 -10.041 -18.549 -7.224 727 HA ALA 97 HA ALA 97 -10.644 -21.171 -6.233 728 HB1 ALA 97 3HB ALA 97 -12.784 -20.473 -6.159 729 HB2 ALA 97 1HB ALA 97 -12.062 -18.879 -6.379 730 HB3 ALA 97 2HB ALA 97 -12.716 -19.751 -7.766 731 H SER 98 H SER 98 -10.275 -22.948 -7.377 732 HA SER 98 HA SER 98 -10.589 -22.840 -10.302 733 HB2 SER 98 1HB SER 98 -9.050 -24.866 -8.661 734 HB3 SER 98 2HB SER 98 -9.084 -24.748 -10.420 735 HG SER 98 HG SER 98 -7.648 -23.296 -8.585 736 H GLY 99 H GLY 99 -12.885 -23.112 -10.134 737 HA2 GLY 99 1HA GLY 99 -13.731 -25.786 -9.222 738 HA3 GLY 99 2HA GLY 99 -14.789 -24.391 -9.373 739 HA PRO 100 HA PRO 100 -15.263 -27.127 -13.122 740 HB2 PRO 100 1HB PRO 100 -17.965 -27.329 -12.954 741 HB3 PRO 100 2HB PRO 100 -16.865 -28.433 -12.120 742 HG2 PRO 100 1HG PRO 100 -18.328 -26.050 -11.050 743 HG3 PRO 100 2HG PRO 100 -18.097 -27.645 -10.312 744 HD2 PRO 100 1HD PRO 100 -16.614 -25.490 -9.616 745 HD3 PRO 100 2HD PRO 100 -15.967 -27.143 -9.590 746 H SER 101 H SER 101 -17.354 -24.477 -11.991 747 HA SER 101 HA SER 101 -18.115 -22.596 -13.024 748 HB2 SER 101 1HB SER 101 -15.724 -22.384 -13.748 749 HB3 SER 101 2HB SER 101 -16.145 -23.244 -15.229 750 HG SER 101 HG SER 101 -17.700 -21.545 -15.605 751 H SER 102 H SER 102 -19.546 -24.949 -13.356 752 HA SER 102 HA SER 102 -20.506 -24.756 -16.135 753 HB2 SER 102 1HB SER 102 -21.375 -27.027 -15.875 754 HB3 SER 102 2HB SER 102 -19.652 -26.991 -15.502 755 HG SER 102 HG SER 102 -20.112 -27.668 -13.578 756 H GLY 103 H GLY 103 -22.843 -25.048 -16.447 757 HA2 GLY 103 1HA GLY 103 -25.030 -24.499 -16.014 758 HA3 GLY 103 2HA GLY 103 -24.697 -24.864 -14.327 Start of MODEL 5 1 H1 GLY 1 H GLY 1 18.574 25.867 7.463 2 HA2 GLY 1 1HA GLY 1 16.614 26.264 5.595 3 HA3 GLY 1 2HA GLY 1 18.244 26.900 5.431 4 H SER 2 H SER 2 16.050 24.342 4.528 5 HA SER 2 HA SER 2 17.933 22.870 2.967 6 HB2 SER 2 1HB SER 2 14.906 22.869 2.923 7 HB3 SER 2 2HB SER 2 15.927 21.706 2.078 8 HG SER 2 HG SER 2 15.206 21.798 4.700 9 H SER 3 H SER 3 18.941 24.077 1.435 10 HA SER 3 HA SER 3 17.278 25.595 -0.450 11 HB2 SER 3 1HB SER 3 19.166 26.786 0.659 12 HB3 SER 3 2HB SER 3 20.286 25.661 -0.109 13 HG SER 3 HG SER 3 19.427 27.885 -1.114 14 H GLY 4 H GLY 4 16.543 24.049 -1.855 15 HA2 GLY 4 1HA GLY 4 18.479 23.055 -3.764 16 HA3 GLY 4 2HA GLY 4 17.667 21.803 -2.837 17 H SER 5 H SER 5 15.285 21.781 -2.920 18 HA SER 5 HA SER 5 14.399 22.394 -5.639 19 HB2 SER 5 1HB SER 5 14.169 20.083 -4.391 20 HB3 SER 5 2HB SER 5 12.735 20.839 -3.696 21 HG SER 5 HG SER 5 11.780 20.826 -5.605 22 H SER 6 H SER 6 12.339 23.360 -6.034 23 HA SER 6 HA SER 6 11.270 24.937 -3.793 24 HB2 SER 6 1HB SER 6 12.195 25.885 -6.479 25 HB3 SER 6 2HB SER 6 10.855 26.716 -5.689 26 HG SER 6 HG SER 6 13.194 26.192 -4.232 27 H GLY 7 H GLY 7 9.139 24.756 -3.550 28 HA2 GLY 7 1HA GLY 7 7.031 24.976 -5.059 29 HA3 GLY 7 2HA GLY 7 7.616 23.444 -5.690 30 HA PRO 8 HA PRO 8 4.811 22.872 -1.922 31 HB2 PRO 8 1HB PRO 8 2.732 21.702 -3.217 32 HB3 PRO 8 2HB PRO 8 2.853 23.449 -2.976 33 HG2 PRO 8 1HG PRO 8 3.523 21.820 -5.397 34 HG3 PRO 8 2HG PRO 8 2.670 23.371 -5.293 35 HD2 PRO 8 1HD PRO 8 5.283 23.187 -5.981 36 HD3 PRO 8 2HD PRO 8 4.625 24.575 -5.090 37 H ALA 9 H ALA 9 3.867 20.727 -1.218 38 HA ALA 9 HA ALA 9 5.493 18.523 -2.310 39 HB1 ALA 9 3HB ALA 9 6.259 18.157 -0.262 40 HB2 ALA 9 1HB ALA 9 5.332 19.536 0.329 41 HB3 ALA 9 2HB ALA 9 4.614 17.924 0.328 42 H ALA 10 H ALA 10 2.718 19.459 -2.998 43 HA ALA 10 HA ALA 10 0.802 17.674 -1.981 44 HB1 ALA 10 3HB ALA 10 0.960 19.282 -4.508 45 HB2 ALA 10 1HB ALA 10 -0.403 18.213 -4.175 46 HB3 ALA 10 2HB ALA 10 -0.044 19.552 -3.084 47 H ILE 11 H ILE 11 -0.418 16.223 -3.745 48 HA ILE 11 HA ILE 11 1.608 14.315 -4.700 49 HB ILE 11 HB ILE 11 -1.302 13.757 -4.123 50 HG12 ILE 11 1HG1 ILE 11 1.068 13.001 -2.411 51 HG13 ILE 11 2HG1 ILE 11 0.098 14.440 -2.117 52 HG21 ILE 11 1HG2 ILE 11 0.263 11.439 -3.942 53 HG22 ILE 11 2HG2 ILE 11 -0.912 11.850 -5.190 54 HG23 ILE 11 3HG2 ILE 11 0.787 12.268 -5.407 55 HD11 ILE 11 3HD1 ILE 11 -1.302 11.836 -2.342 56 HD12 ILE 11 1HD1 ILE 11 -0.375 12.168 -0.880 57 HD13 ILE 11 2HD1 ILE 11 -1.684 13.249 -1.359 58 H ILE 12 H ILE 12 1.956 14.420 -6.813 59 HA ILE 12 HA ILE 12 -0.087 15.434 -8.608 60 HB ILE 12 HB ILE 12 1.836 14.850 -10.319 61 HG12 ILE 12 1HG1 ILE 12 3.060 13.728 -8.282 62 HG13 ILE 12 2HG1 ILE 12 3.979 14.641 -9.473 63 HG21 ILE 12 1HG2 ILE 12 1.362 17.073 -10.229 64 HG22 ILE 12 2HG2 ILE 12 1.474 17.139 -8.471 65 HG23 ILE 12 3HG2 ILE 12 2.942 17.102 -9.447 66 HD11 ILE 12 3HD1 ILE 12 4.152 14.977 -6.796 67 HD12 ILE 12 1HD1 ILE 12 4.570 16.206 -7.990 68 HD13 ILE 12 2HD1 ILE 12 2.982 16.226 -7.223 69 H LYS 13 H LYS 13 1.575 12.413 -7.910 70 HA LYS 13 HA LYS 13 -0.108 11.056 -9.907 71 HB2 LYS 13 1HB LYS 13 2.426 10.080 -8.576 72 HB3 LYS 13 2HB LYS 13 1.515 9.221 -9.811 73 HG2 LYS 13 1HG LYS 13 1.948 11.176 -11.334 74 HG3 LYS 13 2HG LYS 13 3.069 11.776 -10.109 75 HD2 LYS 13 1HD LYS 13 4.535 9.990 -10.402 76 HD3 LYS 13 2HD LYS 13 3.305 8.980 -11.165 77 HE2 LYS 13 1HE LYS 13 3.371 10.293 -13.162 78 HE3 LYS 13 2HE LYS 13 4.401 11.502 -12.397 79 HZ1 LYS 13 3HZ LYS 13 5.287 8.698 -12.658 80 HZ2 LYS 13 1HZ LYS 13 6.224 10.090 -12.441 81 HZ3 LYS 13 2HZ LYS 13 5.484 9.793 -13.932 82 HA PRO 14 HA PRO 14 -2.187 9.789 -6.071 83 HB2 PRO 14 1HB PRO 14 -4.518 9.145 -7.306 84 HB3 PRO 14 2HB PRO 14 -4.095 10.801 -6.856 85 HG2 PRO 14 1HG PRO 14 -3.876 9.447 -9.517 86 HG3 PRO 14 2HG PRO 14 -4.453 11.080 -9.137 87 HD2 PRO 14 1HD PRO 14 -1.962 10.599 -10.083 88 HD3 PRO 14 2HD PRO 14 -2.318 11.931 -8.964 89 H LEU 15 H LEU 15 -2.861 7.755 -5.296 90 HA LEU 15 HA LEU 15 -1.519 5.531 -6.347 91 HB2 LEU 15 1HB LEU 15 -3.878 5.545 -4.470 92 HB3 LEU 15 2HB LEU 15 -2.737 4.222 -4.703 93 HG LEU 15 HG LEU 15 -1.844 6.905 -3.693 94 HD11 LEU 15 1HD1 LEU 15 -2.930 4.597 -2.089 95 HD12 LEU 15 2HD1 LEU 15 -3.579 6.234 -2.176 96 HD13 LEU 15 3HD1 LEU 15 -2.016 5.945 -1.413 97 HD21 LEU 15 3HD2 LEU 15 -0.707 4.171 -3.170 98 HD22 LEU 15 1HD2 LEU 15 0.057 5.742 -2.925 99 HD23 LEU 15 2HD2 LEU 15 -0.234 5.148 -4.561 100 H GLU 16 H GLU 16 -2.637 3.421 -6.891 101 HA GLU 16 HA GLU 16 -5.053 3.854 -8.505 102 HB2 GLU 16 1HB GLU 16 -2.409 2.792 -9.393 103 HB3 GLU 16 2HB GLU 16 -3.864 2.099 -10.094 104 HG2 GLU 16 1HG GLU 16 -3.535 5.059 -10.038 105 HG3 GLU 16 2HG GLU 16 -2.665 4.107 -11.240 106 H ASP 17 H ASP 17 -6.295 1.942 -8.917 107 HA ASP 17 HA ASP 17 -6.555 0.254 -6.689 108 HB2 ASP 17 1HB ASP 17 -7.602 -0.251 -9.482 109 HB3 ASP 17 2HB ASP 17 -8.222 -0.938 -7.983 110 H GLN 18 H GLN 18 -5.899 -1.806 -6.262 111 HA GLN 18 HA GLN 18 -4.016 -3.008 -8.185 112 HB2 GLN 18 1HB GLN 18 -3.934 -3.244 -5.173 113 HB3 GLN 18 2HB GLN 18 -2.764 -3.906 -6.307 114 HG2 GLN 18 1HG GLN 18 -3.317 -0.976 -5.900 115 HG3 GLN 18 2HG GLN 18 -1.968 -1.868 -5.198 116 HE21 GLN 18 1HE2 GLN 18 -1.336 0.265 -6.636 117 HE22 GLN 18 2HE2 GLN 18 -0.684 -0.175 -8.174 118 H TRP 19 H TRP 19 -4.168 -5.174 -8.604 119 HA TRP 19 HA TRP 19 -6.401 -6.603 -7.315 120 HB2 TRP 19 1HB TRP 19 -5.590 -6.468 -10.206 121 HB3 TRP 19 2HB TRP 19 -6.480 -7.857 -9.588 122 HD1 TRP 19 HD TRP 19 -9.006 -7.393 -8.708 123 HE1 TRP 19 1HE TRP 19 -10.694 -5.557 -9.344 124 HE3 TRP 19 3HE TRP 19 -5.798 -4.058 -10.882 125 HZ2 TRP 19 2HZ TRP 19 -10.669 -3.030 -10.601 126 HZ3 TRP 19 3HZ TRP 19 -6.710 -1.956 -11.776 127 HH2 TRP 19 HH TRP 19 -9.096 -1.454 -11.638 128 H VAL 20 H VAL 20 -5.409 -7.950 -5.929 129 HA VAL 20 HA VAL 20 -3.389 -9.779 -7.042 130 HB VAL 20 HB VAL 20 -2.168 -9.783 -4.950 131 HG11 VAL 20 1HG1 VAL 20 -2.244 -6.895 -5.212 132 HG12 VAL 20 2HG1 VAL 20 -0.948 -8.031 -5.594 133 HG13 VAL 20 3HG1 VAL 20 -2.216 -7.707 -6.777 134 HG21 VAL 20 3HG2 VAL 20 -3.045 -7.610 -3.497 135 HG22 VAL 20 1HG2 VAL 20 -4.541 -8.400 -3.994 136 HG23 VAL 20 2HG2 VAL 20 -3.321 -9.305 -3.097 137 H ALA 21 H ALA 21 -3.042 -11.588 -5.192 138 HA ALA 21 HA ALA 21 -5.737 -12.659 -4.697 139 HB1 ALA 21 3HB ALA 21 -4.888 -14.383 -5.844 140 HB2 ALA 21 1HB ALA 21 -3.225 -13.845 -5.606 141 HB3 ALA 21 2HB ALA 21 -4.041 -14.773 -4.347 142 HA PRO 22 HA PRO 22 -5.245 -12.722 -0.338 143 HB2 PRO 22 1HB PRO 22 -6.201 -15.164 0.364 144 HB3 PRO 22 2HB PRO 22 -7.241 -13.852 -0.204 145 HG2 PRO 22 1HG PRO 22 -6.160 -16.202 -1.712 146 HG3 PRO 22 2HG PRO 22 -7.790 -15.503 -1.748 147 HD2 PRO 22 1HD PRO 22 -5.947 -15.004 -3.669 148 HD3 PRO 22 2HD PRO 22 -7.167 -13.809 -3.182 149 H GLY 23 H GLY 23 -2.953 -12.661 -0.196 150 HA2 GLY 23 1HA GLY 23 -1.528 -14.096 1.403 151 HA3 GLY 23 2HA GLY 23 -1.622 -15.270 0.099 152 H GLU 24 H GLU 24 -1.609 -12.558 -1.579 153 HA GLU 24 HA GLU 24 1.273 -12.668 -2.000 154 HB2 GLU 24 1HB GLU 24 -0.840 -11.178 -3.566 155 HB3 GLU 24 2HB GLU 24 0.836 -11.412 -4.041 156 HG2 GLU 24 1HG GLU 24 -0.970 -13.746 -3.548 157 HG3 GLU 24 2HG GLU 24 -0.964 -12.902 -5.096 158 H ASP 25 H ASP 25 2.305 -10.480 -2.590 159 HA ASP 25 HA ASP 25 1.716 -8.634 -0.391 160 HB2 ASP 25 1HB ASP 25 4.003 -7.707 -0.947 161 HB3 ASP 25 2HB ASP 25 3.984 -9.366 -0.356 162 H VAL 26 H VAL 26 1.559 -6.393 -0.726 163 HA VAL 26 HA VAL 26 1.072 -5.581 -3.517 164 HB VAL 26 HB VAL 26 -0.515 -4.819 -1.065 165 HG11 VAL 26 1HG1 VAL 26 -0.074 -3.379 -3.548 166 HG12 VAL 26 2HG1 VAL 26 -1.781 -3.720 -3.259 167 HG13 VAL 26 3HG1 VAL 26 -0.839 -2.845 -2.051 168 HG21 VAL 26 3HG2 VAL 26 -1.480 -6.771 -1.759 169 HG22 VAL 26 1HG2 VAL 26 -2.351 -5.632 -2.785 170 HG23 VAL 26 2HG2 VAL 26 -0.992 -6.545 -3.439 171 H GLU 27 H GLU 27 1.876 -3.636 -4.156 172 HA GLU 27 HA GLU 27 3.232 -1.998 -2.120 173 HB2 GLU 27 1HB GLU 27 4.279 -2.690 -4.871 174 HB3 GLU 27 2HB GLU 27 5.037 -1.567 -3.751 175 HG2 GLU 27 1HG GLU 27 5.482 -3.331 -2.191 176 HG3 GLU 27 2HG GLU 27 4.572 -4.481 -3.169 177 H LEU 28 H LEU 28 2.016 -0.214 -2.014 178 HA LEU 28 HA LEU 28 0.938 0.943 -4.477 179 HB2 LEU 28 1HB LEU 28 0.411 1.899 -1.680 180 HB3 LEU 28 2HB LEU 28 -0.551 2.177 -3.130 181 HG LEU 28 HG LEU 28 -0.228 -0.601 -2.072 182 HD11 LEU 28 1HD1 LEU 28 -1.975 -0.369 -0.529 183 HD12 LEU 28 2HD1 LEU 28 -2.413 1.230 -1.131 184 HD13 LEU 28 3HD1 LEU 28 -0.919 1.010 -0.219 185 HD21 LEU 28 3HD2 LEU 28 -2.323 -0.962 -3.154 186 HD22 LEU 28 1HD2 LEU 28 -1.280 -0.102 -4.286 187 HD23 LEU 28 2HD2 LEU 28 -2.549 0.767 -3.422 188 H ARG 29 H ARG 29 2.496 2.121 -5.449 189 HA ARG 29 HA ARG 29 4.160 3.909 -3.847 190 HB2 ARG 29 1HB ARG 29 4.260 3.087 -6.750 191 HB3 ARG 29 2HB ARG 29 5.321 4.305 -6.056 192 HG2 ARG 29 1HG ARG 29 6.141 2.601 -4.450 193 HG3 ARG 29 2HG ARG 29 5.166 1.398 -5.297 194 HD2 ARG 29 1HD ARG 29 7.227 3.096 -6.682 195 HD3 ARG 29 2HD ARG 29 7.612 1.539 -5.950 196 HE ARG 29 HE ARG 29 5.503 0.997 -7.579 197 HH11 ARG 29 2HH1 ARG 29 8.612 2.495 -8.035 198 HH12 ARG 29 1HH1 ARG 29 8.763 1.982 -9.684 199 HH21 ARG 29 2HH2 ARG 29 5.689 0.316 -9.748 200 HH22 ARG 29 1HH2 ARG 29 7.099 0.744 -10.657 201 H CYS 30 H CYS 30 4.518 6.137 -4.653 202 HA CYS 30 HA CYS 30 2.393 7.313 -6.231 203 HB2 CYS 30 1HB CYS 30 1.400 8.624 -4.598 204 HB3 CYS 30 2HB CYS 30 1.697 7.131 -3.715 205 HG CYS 30 HG CYS 30 2.385 8.891 -1.840 206 H GLU 31 H GLU 31 2.719 9.870 -6.067 207 HA GLU 31 HA GLU 31 5.600 10.447 -6.075 208 HB2 GLU 31 1HB GLU 31 4.512 10.003 -8.402 209 HB3 GLU 31 2HB GLU 31 3.814 11.602 -8.190 210 HG2 GLU 31 1HG GLU 31 5.720 12.082 -9.365 211 HG3 GLU 31 2HG GLU 31 6.262 12.319 -7.704 212 H LEU 32 H LEU 32 6.175 12.468 -5.386 213 HA LEU 32 HA LEU 32 3.993 14.302 -4.652 214 HB2 LEU 32 1HB LEU 32 6.463 14.070 -2.986 215 HB3 LEU 32 2HB LEU 32 4.878 14.702 -2.547 216 HG LEU 32 HG LEU 32 5.136 11.797 -3.159 217 HD11 LEU 32 1HD1 LEU 32 5.463 11.995 -0.412 218 HD12 LEU 32 2HD1 LEU 32 6.609 13.159 -1.077 219 HD13 LEU 32 3HD1 LEU 32 6.671 11.472 -1.586 220 HD21 LEU 32 3HD2 LEU 32 3.316 13.620 -1.717 221 HD22 LEU 32 1HD2 LEU 32 3.553 12.024 -1.004 222 HD23 LEU 32 2HD2 LEU 32 2.964 12.170 -2.660 223 H SER 33 H SER 33 4.373 16.470 -4.924 224 HA SER 33 HA SER 33 6.213 17.260 -6.881 225 HB2 SER 33 1HB SER 33 4.208 18.551 -6.519 226 HB3 SER 33 2HB SER 33 4.676 18.900 -4.855 227 HG SER 33 HG SER 33 6.434 20.097 -5.674 228 H ARG 34 H ARG 34 6.682 16.644 -3.592 229 HA ARG 34 HA ARG 34 9.432 17.474 -3.744 230 HB2 ARG 34 1HB ARG 34 8.409 19.590 -3.102 231 HB3 ARG 34 2HB ARG 34 7.571 18.806 -1.769 232 HG2 ARG 34 1HG ARG 34 9.981 18.166 -1.005 233 HG3 ARG 34 2HG ARG 34 10.452 19.514 -2.042 234 HD2 ARG 34 1HD ARG 34 8.327 19.767 0.069 235 HD3 ARG 34 2HD ARG 34 10.036 20.033 0.415 236 HE ARG 34 HE ARG 34 9.293 21.583 -1.807 237 HH11 ARG 34 2HH1 ARG 34 8.776 21.396 1.631 238 HH12 ARG 34 1HH1 ARG 34 8.509 23.098 1.815 239 HH21 ARG 34 2HH2 ARG 34 8.943 23.825 -1.577 240 HH22 ARG 34 1HH2 ARG 34 8.603 24.479 -0.011 241 H ALA 35 H ALA 35 10.731 16.507 -2.173 242 HA ALA 35 HA ALA 35 9.576 14.163 -0.946 243 HB1 ALA 35 3HB ALA 35 11.679 13.826 -1.970 244 HB2 ALA 35 1HB ALA 35 12.390 15.208 -1.136 245 HB3 ALA 35 2HB ALA 35 11.966 13.754 -0.232 246 H GLY 36 H GLY 36 10.789 13.700 1.346 247 HA2 GLY 36 1HA GLY 36 11.078 14.341 3.562 248 HA3 GLY 36 2HA GLY 36 10.765 16.005 3.091 249 H THR 37 H THR 37 8.325 16.087 2.114 250 HA THR 37 HA THR 37 6.631 16.047 4.293 251 HB THR 37 HB THR 37 5.832 15.785 1.387 252 HG1 THR 37 1HG THR 37 7.152 17.649 1.983 253 HG21 THR 37 3HG2 THR 37 4.023 17.265 3.078 254 HG22 THR 37 1HG2 THR 37 4.242 15.624 3.683 255 HG23 THR 37 2HG2 THR 37 3.697 15.889 2.026 256 HA PRO 38 HA PRO 38 6.082 11.603 4.655 257 HB2 PRO 38 1HB PRO 38 4.742 11.728 7.012 258 HB3 PRO 38 2HB PRO 38 6.501 11.864 6.899 259 HG2 PRO 38 1HG PRO 38 4.446 14.025 7.165 260 HG3 PRO 38 2HG PRO 38 6.009 13.859 7.987 261 HD2 PRO 38 1HD PRO 38 5.648 15.496 5.860 262 HD3 PRO 38 2HD PRO 38 7.188 14.672 6.181 263 H VAL 39 H VAL 39 4.399 10.244 4.202 264 HA VAL 39 HA VAL 39 1.867 11.517 3.473 265 HB VAL 39 HB VAL 39 3.153 10.015 1.864 266 HG11 VAL 39 1HG1 VAL 39 2.962 7.648 2.096 267 HG12 VAL 39 2HG1 VAL 39 3.636 8.275 3.601 268 HG13 VAL 39 3HG1 VAL 39 1.935 7.812 3.520 269 HG21 VAL 39 3HG2 VAL 39 0.708 10.698 1.732 270 HG22 VAL 39 1HG2 VAL 39 1.174 9.251 0.837 271 HG23 VAL 39 2HG2 VAL 39 0.335 9.101 2.381 272 H HIS 40 H HIS 40 -0.134 10.754 4.182 273 HA HIS 40 HA HIS 40 -0.018 9.211 6.682 274 HB2 HIS 40 1HB HIS 40 -1.054 11.643 6.406 275 HB3 HIS 40 2HB HIS 40 -2.463 10.723 5.887 276 HD1 HIS 40 1HD HIS 40 -3.586 11.735 8.092 277 HD2 HIS 40 2HD HIS 40 -0.518 9.002 8.705 278 HE1 HIS 40 1HE HIS 40 -3.801 11.010 10.490 279 HE2 HIS 40 2HE HIS 40 -1.882 9.421 10.862 280 H TRP 41 H TRP 41 -0.250 7.114 6.114 281 HA TRP 41 HA TRP 41 -2.112 6.298 4.067 282 HB2 TRP 41 1HB TRP 41 -0.349 4.736 5.961 283 HB3 TRP 41 2HB TRP 41 -1.398 3.982 4.763 284 HD1 TRP 41 HD TRP 41 1.912 5.789 5.123 285 HE1 TRP 41 1HE TRP 41 3.153 5.738 2.869 286 HE3 TRP 41 3HE TRP 41 -1.840 3.958 2.172 287 HZ2 TRP 41 2HZ TRP 41 2.613 5.017 0.194 288 HZ3 TRP 41 3HZ TRP 41 -1.396 3.617 -0.224 289 HH2 TRP 41 HH TRP 41 0.785 4.136 -1.191 290 H LEU 42 H LEU 42 -4.221 6.281 4.481 291 HA LEU 42 HA LEU 42 -5.123 5.403 7.144 292 HB2 LEU 42 1HB LEU 42 -6.570 7.142 5.151 293 HB3 LEU 42 2HB LEU 42 -7.159 6.680 6.747 294 HG LEU 42 HG LEU 42 -4.581 8.158 6.572 295 HD11 LEU 42 1HD1 LEU 42 -6.118 10.259 6.780 296 HD12 LEU 42 2HD1 LEU 42 -7.264 9.263 5.884 297 HD13 LEU 42 3HD1 LEU 42 -5.683 9.626 5.192 298 HD21 LEU 42 3HD2 LEU 42 -6.443 9.084 8.526 299 HD22 LEU 42 1HD2 LEU 42 -4.898 8.266 8.764 300 HD23 LEU 42 2HD2 LEU 42 -6.377 7.322 8.583 301 H LYS 43 H LYS 43 -6.251 3.578 7.274 302 HA LYS 43 HA LYS 43 -7.226 2.370 4.775 303 HB2 LYS 43 1HB LYS 43 -5.523 1.073 6.004 304 HB3 LYS 43 2HB LYS 43 -6.573 1.045 7.414 305 HG2 LYS 43 1HG LYS 43 -7.048 -0.995 6.531 306 HG3 LYS 43 2HG LYS 43 -8.272 -0.024 5.710 307 HD2 LYS 43 1HD LYS 43 -7.174 -0.103 3.690 308 HD3 LYS 43 2HD LYS 43 -5.594 -0.350 4.438 309 HE2 LYS 43 1HE LYS 43 -7.766 -2.424 4.546 310 HE3 LYS 43 2HE LYS 43 -6.625 -2.329 3.206 311 HZ1 LYS 43 3HZ LYS 43 -6.008 -2.833 6.062 312 HZ2 LYS 43 1HZ LYS 43 -4.824 -2.493 4.903 313 HZ3 LYS 43 2HZ LYS 43 -5.776 -3.883 4.756 314 H ASP 44 H ASP 44 -9.299 2.990 4.537 315 HA ASP 44 HA ASP 44 -11.528 3.235 4.928 316 HB2 ASP 44 1HB ASP 44 -10.780 0.845 6.557 317 HB3 ASP 44 2HB ASP 44 -12.398 1.517 6.743 318 H ARG 45 H ARG 45 -10.084 5.158 6.158 319 HA ARG 45 HA ARG 45 -10.285 6.808 7.714 320 HB2 ARG 45 1HB ARG 45 -12.695 5.310 8.748 321 HB3 ARG 45 2HB ARG 45 -12.320 7.013 8.977 322 HG2 ARG 45 1HG ARG 45 -12.616 5.996 6.201 323 HG3 ARG 45 2HG ARG 45 -14.066 6.216 7.182 324 HD2 ARG 45 1HD ARG 45 -13.861 8.271 6.141 325 HD3 ARG 45 2HD ARG 45 -13.062 8.552 7.688 326 HE ARG 45 HE ARG 45 -11.060 7.758 6.006 327 HH11 ARG 45 2HH1 ARG 45 -13.451 10.288 5.986 328 HH12 ARG 45 1HH1 ARG 45 -12.464 11.392 5.086 329 HH21 ARG 45 2HH2 ARG 45 -9.751 9.203 4.820 330 HH22 ARG 45 1HH2 ARG 45 -10.361 10.773 4.422 331 H LYS 46 H LYS 46 -8.534 4.724 8.236 332 HA LYS 46 HA LYS 46 -8.472 4.812 11.152 333 HB2 LYS 46 1HB LYS 46 -8.185 2.245 9.579 334 HB3 LYS 46 2HB LYS 46 -7.917 2.416 11.309 335 HG2 LYS 46 1HG LYS 46 -10.203 2.823 11.724 336 HG3 LYS 46 2HG LYS 46 -10.547 3.058 10.008 337 HD2 LYS 46 1HD LYS 46 -11.344 0.897 10.548 338 HD3 LYS 46 2HD LYS 46 -9.832 0.654 9.671 339 HE2 LYS 46 1HE LYS 46 -8.830 0.709 12.119 340 HE3 LYS 46 2HE LYS 46 -10.466 0.208 12.543 341 HZ1 LYS 46 3HZ LYS 46 -8.624 -1.538 11.963 342 HZ2 LYS 46 1HZ LYS 46 -9.100 -1.208 10.373 343 HZ3 LYS 46 2HZ LYS 46 -10.230 -1.784 11.492 344 H ALA 47 H ALA 47 -6.634 5.907 11.446 345 HA ALA 47 HA ALA 47 -4.473 6.136 9.766 346 HB1 ALA 47 3HB ALA 47 -4.767 7.572 11.691 347 HB2 ALA 47 1HB ALA 47 -4.473 6.217 12.781 348 HB3 ALA 47 2HB ALA 47 -3.175 6.816 11.747 349 H ILE 48 H ILE 48 -2.867 4.850 9.132 350 HA ILE 48 HA ILE 48 -2.644 2.198 10.322 351 HB ILE 48 HB ILE 48 -1.204 3.276 7.899 352 HG12 ILE 48 1HG1 ILE 48 -3.755 1.653 8.021 353 HG13 ILE 48 2HG1 ILE 48 -3.668 3.368 7.634 354 HG21 ILE 48 1HG2 ILE 48 -0.336 1.219 9.135 355 HG22 ILE 48 2HG2 ILE 48 -1.791 0.407 8.559 356 HG23 ILE 48 3HG2 ILE 48 -0.629 1.058 7.403 357 HD11 ILE 48 3HD1 ILE 48 -3.259 1.066 5.944 358 HD12 ILE 48 1HD1 ILE 48 -3.531 2.753 5.511 359 HD13 ILE 48 2HD1 ILE 48 -1.899 2.186 5.867 360 H ARG 49 H ARG 49 -0.742 1.341 11.154 361 HA ARG 49 HA ARG 49 1.335 3.325 11.816 362 HB2 ARG 49 1HB ARG 49 0.392 0.939 13.416 363 HB3 ARG 49 2HB ARG 49 1.764 1.952 13.847 364 HG2 ARG 49 1HG ARG 49 0.196 3.897 13.931 365 HG3 ARG 49 2HG ARG 49 -1.131 2.753 13.720 366 HD2 ARG 49 1HD ARG 49 -1.088 2.873 15.999 367 HD3 ARG 49 2HD ARG 49 0.049 1.549 15.751 368 HE ARG 49 HE ARG 49 1.540 3.878 15.742 369 HH11 ARG 49 2HH1 ARG 49 -0.527 2.165 17.958 370 HH12 ARG 49 1HH1 ARG 49 0.302 2.728 19.371 371 HH21 ARG 49 2HH2 ARG 49 2.641 4.626 17.595 372 HH22 ARG 49 1HH2 ARG 49 2.104 4.128 19.164 373 H LYS 50 H LYS 50 3.233 2.967 10.895 374 HA LYS 50 HA LYS 50 3.911 0.936 9.207 375 HB2 LYS 50 1HB LYS 50 5.267 2.921 9.360 376 HB3 LYS 50 2HB LYS 50 5.714 2.546 11.019 377 HG2 LYS 50 1HG LYS 50 7.135 0.818 10.376 378 HG3 LYS 50 2HG LYS 50 6.402 0.685 8.776 379 HD2 LYS 50 1HD LYS 50 8.325 1.806 8.241 380 HD3 LYS 50 2HD LYS 50 7.254 3.173 8.557 381 HE2 LYS 50 1HE LYS 50 8.262 3.672 10.562 382 HE3 LYS 50 2HE LYS 50 8.823 2.019 10.813 383 HZ1 LYS 50 3HZ LYS 50 9.938 3.483 8.546 384 HZ2 LYS 50 1HZ LYS 50 10.672 2.358 9.575 385 HZ3 LYS 50 2HZ LYS 50 10.443 3.953 10.090 386 H SER 51 H SER 51 4.496 -1.139 9.362 387 HA SER 51 HA SER 51 5.853 -2.263 11.579 388 HB2 SER 51 1HB SER 51 3.367 -1.925 12.348 389 HB3 SER 51 2HB SER 51 3.069 -3.354 11.358 390 HG SER 51 HG SER 51 5.188 -3.408 13.185 391 H GLN 52 H GLN 52 5.845 -4.741 11.412 392 HA GLN 52 HA GLN 52 6.940 -5.629 9.134 393 HB2 GLN 52 1HB GLN 52 6.433 -6.884 11.355 394 HB3 GLN 52 2HB GLN 52 4.988 -7.438 10.520 395 HG2 GLN 52 1HG GLN 52 6.735 -9.085 10.336 396 HG3 GLN 52 2HG GLN 52 6.387 -8.395 8.752 397 HE21 GLN 52 1HE2 GLN 52 8.334 -8.790 7.821 398 HE22 GLN 52 2HE2 GLN 52 9.811 -8.052 8.329 399 H LYS 53 H LYS 53 3.461 -5.499 9.759 400 HA LYS 53 HA LYS 53 2.684 -6.693 7.304 401 HB2 LYS 53 1HB LYS 53 1.103 -6.716 9.078 402 HB3 LYS 53 2HB LYS 53 1.225 -4.976 9.307 403 HG2 LYS 53 1HG LYS 53 -0.857 -5.495 8.234 404 HG3 LYS 53 2HG LYS 53 0.187 -4.646 7.092 405 HD2 LYS 53 1HD LYS 53 -0.554 -6.346 5.754 406 HD3 LYS 53 2HD LYS 53 0.882 -7.110 6.438 407 HE2 LYS 53 1HE LYS 53 -0.959 -8.658 6.539 408 HE3 LYS 53 2HE LYS 53 -0.550 -8.142 8.175 409 HZ1 LYS 53 3HZ LYS 53 -2.643 -6.696 6.708 410 HZ2 LYS 53 1HZ LYS 53 -2.468 -6.937 8.374 411 HZ3 LYS 53 2HZ LYS 53 -3.014 -8.200 7.390 412 H TYR 54 H TYR 54 2.250 -3.306 8.342 413 HA TYR 54 HA TYR 54 2.295 -2.498 5.530 414 HB2 TYR 54 1HB TYR 54 1.574 -0.873 7.978 415 HB3 TYR 54 2HB TYR 54 1.361 -0.382 6.301 416 HD1 TYR 54 2HD TYR 54 0.065 -2.438 4.930 417 HD2 TYR 54 1HD TYR 54 -0.411 -1.375 9.022 418 HE1 TYR 54 2HE TYR 54 -2.184 -3.434 4.921 419 HE2 TYR 54 1HE TYR 54 -2.661 -2.368 9.024 420 HH TYR 54 HH TYR 54 -3.857 -4.214 6.310 421 H ASP 55 H ASP 55 4.367 -2.298 4.882 422 HA ASP 55 HA ASP 55 6.283 -0.907 6.596 423 HB2 ASP 55 1HB ASP 55 6.800 -2.206 3.918 424 HB3 ASP 55 2HB ASP 55 7.992 -1.729 5.123 425 H VAL 56 H VAL 56 6.062 1.246 6.460 426 HA VAL 56 HA VAL 56 5.364 2.546 3.977 427 HB VAL 56 HB VAL 56 6.263 3.936 6.491 428 HG11 VAL 56 1HG1 VAL 56 4.812 5.721 5.684 429 HG12 VAL 56 2HG1 VAL 56 6.021 5.298 4.470 430 HG13 VAL 56 3HG1 VAL 56 4.358 4.738 4.293 431 HG21 VAL 56 3HG2 VAL 56 4.470 2.191 6.914 432 HG22 VAL 56 1HG2 VAL 56 4.080 3.846 7.383 433 HG23 VAL 56 2HG2 VAL 56 3.415 3.171 5.896 434 H VAL 57 H VAL 57 6.889 2.701 2.459 435 HA VAL 57 HA VAL 57 9.635 3.375 3.280 436 HB VAL 57 HB VAL 57 8.843 2.344 0.565 437 HG11 VAL 57 1HG1 VAL 57 11.028 3.369 0.697 438 HG12 VAL 57 2HG1 VAL 57 11.443 2.373 2.094 439 HG13 VAL 57 3HG1 VAL 57 11.204 1.623 0.515 440 HG21 VAL 57 3HG2 VAL 57 9.703 0.114 1.486 441 HG22 VAL 57 1HG2 VAL 57 9.407 0.807 3.080 442 HG23 VAL 57 2HG2 VAL 57 8.074 0.613 1.942 443 H CYS 58 H CYS 58 9.893 5.521 3.227 444 HA CYS 58 HA CYS 58 8.826 6.995 0.912 445 HB2 CYS 58 1HB CYS 58 7.863 7.828 2.950 446 HB3 CYS 58 2HB CYS 58 9.442 7.924 3.719 447 HG CYS 58 HG CYS 58 8.254 10.481 2.992 448 H GLU 59 H GLU 59 10.529 6.745 -0.498 449 HA GLU 59 HA GLU 59 13.177 7.636 0.399 450 HB2 GLU 59 1HB GLU 59 12.206 5.839 -1.765 451 HB3 GLU 59 2HB GLU 59 13.683 6.744 -2.064 452 HG2 GLU 59 1HG GLU 59 13.159 4.774 0.143 453 HG3 GLU 59 2HG GLU 59 14.283 4.611 -1.205 454 H GLY 60 H GLY 60 12.521 9.879 0.406 455 HA2 GLY 60 1HA GLY 60 12.802 11.953 -0.588 456 HA3 GLY 60 2HA GLY 60 13.075 11.143 -2.124 457 H THR 61 H THR 61 11.582 11.468 -3.622 458 HA THR 61 HA THR 61 8.972 12.511 -2.802 459 HB THR 61 HB THR 61 8.708 13.041 -5.251 460 HG1 THR 61 1HG THR 61 10.441 12.772 -6.589 461 HG21 THR 61 3HG2 THR 61 9.439 15.060 -4.662 462 HG22 THR 61 1HG2 THR 61 11.113 14.522 -4.786 463 HG23 THR 61 2HG2 THR 61 10.238 14.340 -3.265 464 H MET 62 H MET 62 9.400 9.765 -2.375 465 HA MET 62 HA MET 62 7.310 8.681 -4.098 466 HB2 MET 62 1HB MET 62 9.592 8.054 -5.023 467 HB3 MET 62 2HB MET 62 9.823 7.102 -3.562 468 HG2 MET 62 1HG MET 62 7.521 6.714 -5.454 469 HG3 MET 62 2HG MET 62 9.039 5.826 -5.559 470 HE1 MET 62 3HE MET 62 9.673 3.781 -3.993 471 HE2 MET 62 1HE MET 62 9.988 5.116 -2.883 472 HE3 MET 62 2HE MET 62 9.081 3.708 -2.332 473 H ALA 63 H ALA 63 5.782 7.901 -2.817 474 HA ALA 63 HA ALA 63 6.556 6.844 -0.178 475 HB1 ALA 63 3HB ALA 63 3.736 7.570 -0.656 476 HB2 ALA 63 1HB ALA 63 4.750 7.816 0.767 477 HB3 ALA 63 2HB ALA 63 4.891 8.903 -0.616 478 H MET 64 H MET 64 6.672 4.689 -0.297 479 HA MET 64 HA MET 64 4.586 3.254 -1.795 480 HB2 MET 64 1HB MET 64 7.027 2.925 -2.419 481 HB3 MET 64 2HB MET 64 7.223 2.120 -0.868 482 HG2 MET 64 1HG MET 64 5.637 0.423 -1.495 483 HG3 MET 64 2HG MET 64 5.284 1.264 -3.002 484 HE1 MET 64 3HE MET 64 9.326 -0.636 -1.956 485 HE2 MET 64 1HE MET 64 8.264 0.274 -0.881 486 HE3 MET 64 2HE MET 64 7.857 -1.383 -1.325 487 H LEU 65 H LEU 65 3.670 1.346 -0.866 488 HA LEU 65 HA LEU 65 4.017 1.037 2.027 489 HB2 LEU 65 1HB LEU 65 2.125 2.492 1.823 490 HB3 LEU 65 2HB LEU 65 1.401 1.456 0.595 491 HG LEU 65 HG LEU 65 1.285 -0.324 2.439 492 HD11 LEU 65 1HD1 LEU 65 2.521 0.368 4.221 493 HD12 LEU 65 2HD1 LEU 65 0.950 1.015 4.696 494 HD13 LEU 65 3HD1 LEU 65 2.153 2.074 3.960 495 HD21 LEU 65 3HD2 LEU 65 -0.591 1.581 3.421 496 HD22 LEU 65 1HD2 LEU 65 -0.865 0.209 2.346 497 HD23 LEU 65 2HD2 LEU 65 -0.439 1.784 1.675 498 H VAL 66 H VAL 66 4.697 -0.995 2.220 499 HA VAL 66 HA VAL 66 3.764 -3.054 0.392 500 HB VAL 66 HB VAL 66 5.653 -3.422 2.713 501 HG11 VAL 66 1HG1 VAL 66 4.760 -5.050 0.413 502 HG12 VAL 66 2HG1 VAL 66 6.473 -5.137 0.827 503 HG13 VAL 66 3HG1 VAL 66 5.251 -5.545 2.033 504 HG21 VAL 66 3HG2 VAL 66 6.047 -1.963 0.235 505 HG22 VAL 66 1HG2 VAL 66 7.074 -2.058 1.665 506 HG23 VAL 66 2HG2 VAL 66 7.188 -3.295 0.414 507 H ILE 67 H ILE 67 2.165 -4.422 0.824 508 HA ILE 67 HA ILE 67 1.179 -4.584 3.593 509 HB ILE 67 HB ILE 67 -0.305 -5.146 1.022 510 HG12 ILE 67 1HG1 ILE 67 -1.040 -2.963 2.920 511 HG13 ILE 67 2HG1 ILE 67 0.330 -2.703 1.846 512 HG21 ILE 67 1HG2 ILE 67 -1.970 -4.782 3.327 513 HG22 ILE 67 2HG2 ILE 67 -1.872 -6.156 2.226 514 HG23 ILE 67 3HG2 ILE 67 -0.802 -6.069 3.625 515 HD11 ILE 67 3HD1 ILE 67 -2.278 -3.645 0.744 516 HD12 ILE 67 1HD1 ILE 67 -2.030 -1.941 1.123 517 HD13 ILE 67 2HD1 ILE 67 -0.983 -2.745 -0.047 518 H ARG 68 H ARG 68 2.864 -6.198 3.994 519 HA ARG 68 HA ARG 68 3.281 -8.576 2.732 520 HB2 ARG 68 1HB ARG 68 3.382 -7.732 5.583 521 HB3 ARG 68 2HB ARG 68 3.467 -9.456 5.246 522 HG2 ARG 68 1HG ARG 68 5.262 -7.539 3.817 523 HG3 ARG 68 2HG ARG 68 5.650 -8.103 5.443 524 HD2 ARG 68 1HD ARG 68 4.949 -10.063 3.296 525 HD3 ARG 68 2HD ARG 68 6.574 -9.384 3.378 526 HE ARG 68 HE ARG 68 5.942 -10.305 5.920 527 HH11 ARG 68 2HH1 ARG 68 6.393 -11.610 2.724 528 HH12 ARG 68 1HH1 ARG 68 6.947 -13.151 3.290 529 HH21 ARG 68 2HH2 ARG 68 6.670 -12.330 6.678 530 HH22 ARG 68 1HH2 ARG 68 7.103 -13.560 5.539 531 H GLY 69 H GLY 69 2.240 -10.473 2.449 532 HA2 GLY 69 1HA GLY 69 0.345 -11.782 2.189 533 HA3 GLY 69 2HA GLY 69 0.426 -11.788 3.945 534 H ALA 70 H ALA 70 -0.978 -10.160 1.153 535 HA ALA 70 HA ALA 70 -2.817 -8.641 2.790 536 HB1 ALA 70 3HB ALA 70 -2.843 -8.951 -0.206 537 HB2 ALA 70 1HB ALA 70 -3.601 -7.680 0.754 538 HB3 ALA 70 2HB ALA 70 -1.843 -7.779 0.652 539 H SER 71 H SER 71 -4.268 -9.916 3.818 540 HA SER 71 HA SER 71 -5.515 -12.160 2.507 541 HB2 SER 71 1HB SER 71 -5.742 -10.909 5.230 542 HB3 SER 71 2HB SER 71 -6.922 -12.106 4.697 543 HG SER 71 HG SER 71 -4.126 -12.549 4.612 544 H LEU 72 H LEU 72 -7.838 -12.391 2.281 545 HA LEU 72 HA LEU 72 -9.084 -10.626 0.684 546 HB2 LEU 72 1HB LEU 72 -10.374 -12.306 2.826 547 HB3 LEU 72 2HB LEU 72 -11.255 -11.514 1.521 548 HG LEU 72 HG LEU 72 -9.094 -13.549 1.022 549 HD11 LEU 72 1HD1 LEU 72 -12.044 -13.956 1.448 550 HD12 LEU 72 2HD1 LEU 72 -10.707 -14.719 2.307 551 HD13 LEU 72 3HD1 LEU 72 -11.013 -15.121 0.617 552 HD21 LEU 72 3HD2 LEU 72 -11.398 -12.956 -0.775 553 HD22 LEU 72 1HD2 LEU 72 -9.777 -13.526 -1.169 554 HD23 LEU 72 2HD2 LEU 72 -10.034 -11.838 -0.727 555 H LYS 73 H LYS 73 -8.983 -10.464 4.200 556 HA LYS 73 HA LYS 73 -10.830 -8.369 4.543 557 HB2 LYS 73 1HB LYS 73 -10.067 -9.774 6.397 558 HB3 LYS 73 2HB LYS 73 -8.441 -9.121 6.239 559 HG2 LYS 73 1HG LYS 73 -9.351 -7.961 8.037 560 HG3 LYS 73 2HG LYS 73 -9.511 -6.841 6.681 561 HD2 LYS 73 1HD LYS 73 -11.583 -6.753 7.783 562 HD3 LYS 73 2HD LYS 73 -11.859 -7.798 6.388 563 HE2 LYS 73 1HE LYS 73 -11.249 -9.709 8.053 564 HE3 LYS 73 2HE LYS 73 -11.646 -8.511 9.284 565 HZ1 LYS 73 3HZ LYS 73 -13.412 -10.135 7.975 566 HZ2 LYS 73 1HZ LYS 73 -13.626 -8.630 7.233 567 HZ3 LYS 73 2HZ LYS 73 -13.804 -8.779 8.908 568 H ASP 74 H ASP 74 -7.324 -8.362 4.049 569 HA ASP 74 HA ASP 74 -6.688 -5.741 4.473 570 HB2 ASP 74 1HB ASP 74 -5.712 -7.641 2.342 571 HB3 ASP 74 2HB ASP 74 -5.012 -6.041 2.572 572 H ALA 75 H ALA 75 -8.244 -7.119 1.615 573 HA ALA 75 HA ALA 75 -8.193 -5.065 -0.168 574 HB1 ALA 75 3HB ALA 75 -9.276 -7.218 -0.598 575 HB2 ALA 75 1HB ALA 75 -10.608 -6.760 0.464 576 HB3 ALA 75 2HB ALA 75 -10.324 -5.868 -1.031 577 H GLY 76 H GLY 76 -8.598 -2.968 0.042 578 HA2 GLY 76 1HA GLY 76 -11.087 -1.958 0.926 579 HA3 GLY 76 2HA GLY 76 -9.893 -1.770 2.202 580 H GLU 77 H GLU 77 -10.602 0.541 1.706 581 HA GLU 77 HA GLU 77 -9.279 1.676 -0.632 582 HB2 GLU 77 1HB GLU 77 -11.346 2.591 1.289 583 HB3 GLU 77 2HB GLU 77 -10.298 3.829 0.611 584 HG2 GLU 77 1HG GLU 77 -11.940 3.867 -0.943 585 HG3 GLU 77 2HG GLU 77 -10.929 2.606 -1.648 586 H TYR 78 H TYR 78 -7.568 3.086 -0.553 587 HA TYR 78 HA TYR 78 -6.284 3.428 2.078 588 HB2 TYR 78 1HB TYR 78 -5.079 2.754 -0.597 589 HB3 TYR 78 2HB TYR 78 -4.115 3.475 0.687 590 HD1 TYR 78 2HD TYR 78 -6.106 0.509 -0.254 591 HD2 TYR 78 1HD TYR 78 -3.361 2.180 2.534 592 HE1 TYR 78 2HE TYR 78 -5.745 -1.721 0.718 593 HE2 TYR 78 1HE TYR 78 -2.991 -0.046 3.513 594 HH TYR 78 HH TYR 78 -3.227 -2.345 3.001 595 H THR 79 H THR 79 -6.664 5.489 2.612 596 HA THR 79 HA THR 79 -6.491 7.573 0.567 597 HB THR 79 HB THR 79 -7.414 7.735 3.443 598 HG1 THR 79 1HG THR 79 -8.740 7.480 0.956 599 HG21 THR 79 3HG2 THR 79 -7.683 9.822 1.283 600 HG22 THR 79 1HG2 THR 79 -6.411 9.843 2.504 601 HG23 THR 79 2HG2 THR 79 -8.102 9.977 2.988 602 H CYS 80 H CYS 80 -4.532 8.390 0.228 603 HA CYS 80 HA CYS 80 -2.594 8.488 2.407 604 HB2 CYS 80 1HB CYS 80 -2.456 8.545 -0.555 605 HB3 CYS 80 2HB CYS 80 -1.229 9.471 0.302 606 HG CYS 80 HG CYS 80 -0.236 7.300 1.732 607 H GLU 81 H GLU 81 -3.476 10.179 3.642 608 HA GLU 81 HA GLU 81 -4.098 12.728 2.553 609 HB2 GLU 81 1HB GLU 81 -4.715 11.572 4.868 610 HB3 GLU 81 2HB GLU 81 -3.296 12.456 5.410 611 HG2 GLU 81 1HG GLU 81 -4.497 14.459 4.196 612 HG3 GLU 81 2HG GLU 81 -5.928 13.472 4.487 613 H VAL 82 H VAL 82 -2.748 14.239 1.864 614 HA VAL 82 HA VAL 82 0.037 14.187 2.822 615 HB VAL 82 HB VAL 82 -0.524 13.900 0.313 616 HG11 VAL 82 1HG1 VAL 82 -1.805 16.343 0.772 617 HG12 VAL 82 2HG1 VAL 82 -0.368 16.730 -0.177 618 HG13 VAL 82 3HG1 VAL 82 -1.533 15.551 -0.779 619 HG21 VAL 82 3HG2 VAL 82 1.668 14.836 1.664 620 HG22 VAL 82 1HG2 VAL 82 1.624 14.418 -0.049 621 HG23 VAL 82 2HG2 VAL 82 1.401 16.093 0.456 622 H GLU 83 H GLU 83 1.052 16.515 2.441 623 HA GLU 83 HA GLU 83 0.523 18.191 4.397 624 HB2 GLU 83 1HB GLU 83 0.876 20.112 2.549 625 HB3 GLU 83 2HB GLU 83 2.182 19.098 3.146 626 HG2 GLU 83 1HG GLU 83 2.330 17.903 1.213 627 HG3 GLU 83 2HG GLU 83 0.632 18.139 0.805 628 H ALA 84 H ALA 84 -0.974 19.024 1.275 629 HA ALA 84 HA ALA 84 -3.380 19.862 2.760 630 HB1 ALA 84 3HB ALA 84 -3.503 21.414 0.559 631 HB2 ALA 84 1HB ALA 84 -2.758 21.917 2.077 632 HB3 ALA 84 2HB ALA 84 -1.755 21.296 0.766 633 H SER 85 H SER 85 -2.059 18.350 -0.104 634 HA SER 85 HA SER 85 -4.616 17.948 -1.359 635 HB2 SER 85 1HB SER 85 -1.793 17.179 -1.957 636 HB3 SER 85 2HB SER 85 -3.087 16.264 -2.731 637 HG SER 85 HG SER 85 -2.385 18.103 -3.954 638 H LYS 86 H LYS 86 -4.749 15.432 -2.203 639 HA LYS 86 HA LYS 86 -4.307 13.526 -0.095 640 HB2 LYS 86 1HB LYS 86 -7.041 14.640 -0.639 641 HB3 LYS 86 2HB LYS 86 -6.853 12.983 -0.079 642 HG2 LYS 86 1HG LYS 86 -5.399 14.083 1.788 643 HG3 LYS 86 2HG LYS 86 -6.290 15.541 1.342 644 HD2 LYS 86 1HD LYS 86 -7.635 12.932 2.015 645 HD3 LYS 86 2HD LYS 86 -7.282 14.172 3.220 646 HE2 LYS 86 1HE LYS 86 -8.792 14.840 0.720 647 HE3 LYS 86 2HE LYS 86 -9.615 14.131 2.108 648 HZ1 LYS 86 3HZ LYS 86 -9.038 15.968 3.447 649 HZ2 LYS 86 1HZ LYS 86 -9.617 16.620 1.997 650 HZ3 LYS 86 2HZ LYS 86 -7.954 16.577 2.300 651 H SER 87 H SER 87 -5.107 11.349 -0.696 652 HA SER 87 HA SER 87 -5.801 10.957 -3.487 653 HB2 SER 87 1HB SER 87 -3.483 10.962 -3.846 654 HB3 SER 87 2HB SER 87 -3.150 10.156 -2.313 655 HG SER 87 HG SER 87 -4.543 8.926 -4.452 656 H THR 88 H THR 88 -6.824 9.028 -3.876 657 HA THR 88 HA THR 88 -7.048 7.147 -1.625 658 HB THR 88 HB THR 88 -9.410 7.826 -3.366 659 HG1 THR 88 1HG THR 88 -9.141 8.867 -0.764 660 HG21 THR 88 3HG2 THR 88 -10.573 6.999 -1.230 661 HG22 THR 88 1HG2 THR 88 -8.992 6.371 -0.770 662 HG23 THR 88 2HG2 THR 88 -9.773 5.799 -2.244 663 H ALA 89 H ALA 89 -7.672 4.984 -2.221 664 HA ALA 89 HA ALA 89 -7.561 4.300 -5.051 665 HB1 ALA 89 3HB ALA 89 -5.219 4.274 -3.714 666 HB2 ALA 89 1HB ALA 89 -5.783 2.633 -3.397 667 HB3 ALA 89 2HB ALA 89 -5.596 3.197 -5.059 668 H SER 90 H SER 90 -7.519 1.672 -5.069 669 HA SER 90 HA SER 90 -9.323 0.646 -3.015 670 HB2 SER 90 1HB SER 90 -9.976 0.555 -5.971 671 HB3 SER 90 2HB SER 90 -10.900 -0.231 -4.691 672 HG SER 90 HG SER 90 -11.460 1.766 -3.889 673 H LEU 91 H LEU 91 -8.300 -1.098 -2.301 674 HA LEU 91 HA LEU 91 -6.646 -2.676 -4.108 675 HB2 LEU 91 1HB LEU 91 -5.554 -2.253 -2.091 676 HB3 LEU 91 2HB LEU 91 -7.001 -2.565 -1.136 677 HG LEU 91 HG LEU 91 -6.752 -4.999 -1.862 678 HD11 LEU 91 1HD1 LEU 91 -3.936 -4.116 -2.458 679 HD12 LEU 91 2HD1 LEU 91 -5.140 -4.477 -3.695 680 HD13 LEU 91 3HD1 LEU 91 -4.607 -5.742 -2.589 681 HD21 LEU 91 3HD2 LEU 91 -4.943 -5.385 -0.153 682 HD22 LEU 91 1HD2 LEU 91 -6.304 -4.403 0.389 683 HD23 LEU 91 2HD2 LEU 91 -4.779 -3.631 -0.046 684 H HIS 92 H HIS 92 -7.132 -4.672 -4.822 685 HA HIS 92 HA HIS 92 -9.630 -5.893 -3.842 686 HB2 HIS 92 1HB HIS 92 -8.483 -6.126 -6.630 687 HB3 HIS 92 2HB HIS 92 -10.028 -6.758 -6.070 688 HD1 HIS 92 1HD HIS 92 -12.002 -5.167 -6.033 689 HD2 HIS 92 2HD HIS 92 -8.412 -3.294 -6.963 690 HE1 HIS 92 1HE HIS 92 -12.628 -2.856 -6.801 691 HE2 HIS 92 2HE HIS 92 -10.447 -1.770 -7.439 692 H VAL 93 H VAL 93 -9.612 -8.020 -3.306 693 HA VAL 93 HA VAL 93 -7.228 -9.611 -3.911 694 HB VAL 93 HB VAL 93 -8.358 -9.223 -1.137 695 HG11 VAL 93 1HG1 VAL 93 -6.114 -10.765 -0.864 696 HG12 VAL 93 2HG1 VAL 93 -7.775 -11.361 -0.819 697 HG13 VAL 93 3HG1 VAL 93 -6.852 -11.430 -2.321 698 HG21 VAL 93 3HG2 VAL 93 -5.984 -8.228 -2.574 699 HG22 VAL 93 1HG2 VAL 93 -6.878 -7.522 -1.228 700 HG23 VAL 93 2HG2 VAL 93 -5.703 -8.803 -0.931 701 H GLU 94 H GLU 94 -8.043 -11.262 -5.027 702 HA GLU 94 HA GLU 94 -10.398 -12.647 -3.927 703 HB2 GLU 94 1HB GLU 94 -9.713 -12.174 -6.831 704 HB3 GLU 94 2HB GLU 94 -10.988 -13.250 -6.279 705 HG2 GLU 94 1HG GLU 94 -12.363 -11.543 -5.669 706 HG3 GLU 94 2HG GLU 94 -11.029 -10.445 -5.317 707 H GLU 95 H GLU 95 -10.324 -14.850 -3.834 708 HA GLU 95 HA GLU 95 -7.727 -16.064 -4.034 709 HB2 GLU 95 1HB GLU 95 -9.720 -16.507 -2.346 710 HB3 GLU 95 2HB GLU 95 -10.194 -17.678 -3.569 711 HG2 GLU 95 1HG GLU 95 -7.428 -17.622 -2.413 712 HG3 GLU 95 2HG GLU 95 -8.750 -18.501 -1.646 713 H LYS 96 H LYS 96 -7.013 -17.563 -5.483 714 HA LYS 96 HA LYS 96 -8.499 -17.740 -7.979 715 HB2 LYS 96 1HB LYS 96 -6.467 -18.541 -8.961 716 HB3 LYS 96 2HB LYS 96 -6.058 -17.178 -7.926 717 HG2 LYS 96 1HG LYS 96 -5.472 -18.871 -6.145 718 HG3 LYS 96 2HG LYS 96 -5.608 -20.101 -7.404 719 HD2 LYS 96 1HD LYS 96 -3.852 -17.684 -7.724 720 HD3 LYS 96 2HD LYS 96 -3.282 -19.152 -6.927 721 HE2 LYS 96 1HE LYS 96 -4.533 -19.234 -9.653 722 HE3 LYS 96 2HE LYS 96 -2.822 -18.867 -9.442 723 HZ1 LYS 96 3HZ LYS 96 -4.173 -21.382 -9.278 724 HZ2 LYS 96 1HZ LYS 96 -3.219 -21.087 -7.913 725 HZ3 LYS 96 2HZ LYS 96 -2.522 -21.056 -9.454 726 H ALA 97 H ALA 97 -8.631 -19.831 -9.120 727 HA ALA 97 HA ALA 97 -8.555 -22.219 -7.469 728 HB1 ALA 97 3HB ALA 97 -10.750 -22.547 -7.193 729 HB2 ALA 97 1HB ALA 97 -10.907 -20.824 -7.536 730 HB3 ALA 97 2HB ALA 97 -11.132 -22.004 -8.827 731 H SER 98 H SER 98 -9.665 -24.076 -8.933 732 HA SER 98 HA SER 98 -8.706 -23.733 -11.691 733 HB2 SER 98 1HB SER 98 -7.578 -25.851 -11.658 734 HB3 SER 98 2HB SER 98 -7.019 -24.943 -10.254 735 HG SER 98 HG SER 98 -8.937 -27.030 -10.309 736 H GLY 99 H GLY 99 -11.339 -23.472 -11.059 737 HA2 GLY 99 1HA GLY 99 -13.141 -24.339 -12.417 738 HA3 GLY 99 2HA GLY 99 -12.470 -25.948 -12.192 739 HA PRO 100 HA PRO 100 -15.978 -25.160 -9.170 740 HB2 PRO 100 1HB PRO 100 -17.552 -27.205 -10.011 741 HB3 PRO 100 2HB PRO 100 -17.635 -25.582 -10.704 742 HG2 PRO 100 1HG PRO 100 -16.236 -28.016 -11.743 743 HG3 PRO 100 2HG PRO 100 -17.206 -26.821 -12.624 744 HD2 PRO 100 1HD PRO 100 -14.498 -26.788 -12.628 745 HD3 PRO 100 2HD PRO 100 -15.471 -25.307 -12.733 746 H SER 101 H SER 101 -16.556 -26.497 -7.393 747 HA SER 101 HA SER 101 -15.495 -29.161 -7.161 748 HB2 SER 101 1HB SER 101 -13.876 -28.789 -5.469 749 HB3 SER 101 2HB SER 101 -13.533 -27.583 -6.709 750 HG SER 101 HG SER 101 -15.105 -26.286 -5.268 751 H SER 102 H SER 102 -16.232 -30.259 -5.291 752 HA SER 102 HA SER 102 -18.792 -29.446 -4.404 753 HB2 SER 102 1HB SER 102 -16.944 -31.621 -3.400 754 HB3 SER 102 2HB SER 102 -18.611 -31.416 -2.864 755 HG SER 102 HG SER 102 -17.662 -32.080 -5.444 756 H GLY 103 H GLY 103 -19.469 -28.454 -2.575 757 HA2 GLY 103 1HA GLY 103 -18.636 -28.215 -0.104 758 HA3 GLY 103 2HA GLY 103 -17.383 -27.268 -0.891 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -4.573 36.653 -2.657 2 HA2 GLY 1 1HA GLY 1 -3.462 34.429 -2.761 3 HA3 GLY 1 2HA GLY 1 -2.239 35.208 -3.754 4 H SER 2 H SER 2 -3.823 35.972 -0.650 5 HA SER 2 HA SER 2 -1.625 37.249 0.492 6 HB2 SER 2 1HB SER 2 -3.969 37.339 1.359 7 HB3 SER 2 2HB SER 2 -3.760 35.701 1.978 8 HG SER 2 HG SER 2 -3.313 37.633 3.410 9 H SER 3 H SER 3 -2.737 33.900 1.001 10 HA SER 3 HA SER 3 -0.121 33.258 2.159 11 HB2 SER 3 1HB SER 3 -1.187 31.210 2.986 12 HB3 SER 3 2HB SER 3 -2.113 32.630 3.472 13 HG SER 3 HG SER 3 -3.642 31.347 2.667 14 H GLY 4 H GLY 4 1.217 31.698 1.316 15 HA2 GLY 4 1HA GLY 4 0.362 30.172 -1.012 16 HA3 GLY 4 2HA GLY 4 1.634 31.351 -1.292 17 H SER 5 H SER 5 2.653 29.208 -1.965 18 HA SER 5 HA SER 5 4.341 28.331 0.235 19 HB2 SER 5 1HB SER 5 3.993 25.944 -0.244 20 HB3 SER 5 2HB SER 5 2.488 26.713 0.261 21 HG SER 5 HG SER 5 2.794 25.298 -1.856 22 H SER 6 H SER 6 6.299 27.341 -0.449 23 HA SER 6 HA SER 6 6.983 27.984 -3.236 24 HB2 SER 6 1HB SER 6 9.332 28.042 -2.442 25 HB3 SER 6 2HB SER 6 8.309 29.195 -1.586 26 HG SER 6 HG SER 6 9.345 26.733 -0.677 27 H GLY 7 H GLY 7 6.287 26.062 -4.193 28 HA2 GLY 7 1HA GLY 7 6.585 23.937 -5.010 29 HA3 GLY 7 2HA GLY 7 8.184 23.972 -4.282 30 HA PRO 8 HA PRO 8 5.072 22.212 -0.991 31 HB2 PRO 8 1HB PRO 8 2.721 21.306 -2.002 32 HB3 PRO 8 2HB PRO 8 2.938 22.956 -1.407 33 HG2 PRO 8 1HG PRO 8 2.990 21.935 -4.220 34 HG3 PRO 8 2HG PRO 8 2.223 23.398 -3.575 35 HD2 PRO 8 1HD PRO 8 4.601 23.450 -4.869 36 HD3 PRO 8 2HD PRO 8 4.202 24.581 -3.560 37 H ALA 9 H ALA 9 3.910 19.907 -0.825 38 HA ALA 9 HA ALA 9 5.520 18.076 -2.480 39 HB1 ALA 9 3HB ALA 9 4.521 17.773 0.346 40 HB2 ALA 9 1HB ALA 9 5.280 16.476 -0.579 41 HB3 ALA 9 2HB ALA 9 6.193 17.936 -0.192 42 H ALA 10 H ALA 10 2.637 19.257 -2.666 43 HA ALA 10 HA ALA 10 0.613 17.535 -2.345 44 HB1 ALA 10 3HB ALA 10 -0.339 19.125 -3.567 45 HB2 ALA 10 1HB ALA 10 1.216 19.606 -4.246 46 HB3 ALA 10 2HB ALA 10 0.281 18.319 -5.008 47 H ILE 11 H ILE 11 -0.379 15.847 -3.575 48 HA ILE 11 HA ILE 11 1.592 14.046 -4.752 49 HB ILE 11 HB ILE 11 -1.295 13.531 -4.027 50 HG12 ILE 11 1HG1 ILE 11 1.041 12.372 -2.562 51 HG13 ILE 11 2HG1 ILE 11 0.559 14.029 -2.213 52 HG21 ILE 11 1HG2 ILE 11 0.130 11.136 -4.100 53 HG22 ILE 11 2HG2 ILE 11 -1.079 11.692 -5.256 54 HG23 ILE 11 3HG2 ILE 11 0.631 12.015 -5.544 55 HD11 ILE 11 3HD1 ILE 11 -1.496 11.875 -2.181 56 HD12 ILE 11 1HD1 ILE 11 -0.392 12.052 -0.817 57 HD13 ILE 11 2HD1 ILE 11 -1.438 13.393 -1.285 58 H ILE 12 H ILE 12 1.911 14.214 -6.869 59 HA ILE 12 HA ILE 12 -0.186 15.179 -8.624 60 HB ILE 12 HB ILE 12 1.718 14.649 -10.372 61 HG12 ILE 12 1HG1 ILE 12 2.999 13.540 -8.359 62 HG13 ILE 12 2HG1 ILE 12 3.878 14.469 -9.568 63 HG21 ILE 12 1HG2 ILE 12 1.498 16.921 -8.441 64 HG22 ILE 12 2HG2 ILE 12 2.769 16.910 -9.663 65 HG23 ILE 12 3HG2 ILE 12 1.075 16.862 -10.152 66 HD11 ILE 12 3HD1 ILE 12 4.489 16.027 -8.092 67 HD12 ILE 12 1HD1 ILE 12 2.907 16.055 -7.314 68 HD13 ILE 12 2HD1 ILE 12 4.079 14.809 -6.885 69 H LYS 13 H LYS 13 1.542 12.190 -7.959 70 HA LYS 13 HA LYS 13 -0.112 10.807 -9.959 71 HB2 LYS 13 1HB LYS 13 2.455 9.950 -8.612 72 HB3 LYS 13 2HB LYS 13 1.538 8.957 -9.737 73 HG2 LYS 13 1HG LYS 13 1.850 10.788 -11.434 74 HG3 LYS 13 2HG LYS 13 2.985 11.529 -10.304 75 HD2 LYS 13 1HD LYS 13 4.502 9.765 -10.487 76 HD3 LYS 13 2HD LYS 13 3.287 8.665 -11.140 77 HE2 LYS 13 1HE LYS 13 5.029 9.604 -12.759 78 HE3 LYS 13 2HE LYS 13 3.336 9.678 -13.248 79 HZ1 LYS 13 3HZ LYS 13 4.333 11.764 -13.729 80 HZ2 LYS 13 1HZ LYS 13 4.991 11.894 -12.176 81 HZ3 LYS 13 2HZ LYS 13 3.317 11.999 -12.397 82 HA PRO 14 HA PRO 14 -2.224 9.541 -6.136 83 HB2 PRO 14 1HB PRO 14 -4.548 8.907 -7.389 84 HB3 PRO 14 2HB PRO 14 -4.125 10.560 -6.928 85 HG2 PRO 14 1HG PRO 14 -3.892 9.219 -9.594 86 HG3 PRO 14 2HG PRO 14 -4.468 10.851 -9.210 87 HD2 PRO 14 1HD PRO 14 -1.972 10.370 -10.142 88 HD3 PRO 14 2HD PRO 14 -2.333 11.697 -9.019 89 H LEU 15 H LEU 15 -2.947 7.502 -5.388 90 HA LEU 15 HA LEU 15 -1.599 5.279 -6.471 91 HB2 LEU 15 1HB LEU 15 -3.935 5.192 -4.575 92 HB3 LEU 15 2HB LEU 15 -2.667 3.984 -4.771 93 HG LEU 15 HG LEU 15 -1.932 6.735 -3.873 94 HD11 LEU 15 1HD1 LEU 15 -3.691 6.324 -2.367 95 HD12 LEU 15 2HD1 LEU 15 -2.221 5.860 -1.512 96 HD13 LEU 15 3HD1 LEU 15 -3.265 4.620 -2.206 97 HD21 LEU 15 3HD2 LEU 15 0.032 5.782 -3.419 98 HD22 LEU 15 1HD2 LEU 15 -0.545 4.396 -4.345 99 HD23 LEU 15 2HD2 LEU 15 -0.728 4.422 -2.591 100 H GLU 16 H GLU 16 -2.958 3.128 -6.747 101 HA GLU 16 HA GLU 16 -5.373 3.565 -8.315 102 HB2 GLU 16 1HB GLU 16 -2.830 2.393 -9.432 103 HB3 GLU 16 2HB GLU 16 -4.404 2.081 -10.150 104 HG2 GLU 16 1HG GLU 16 -4.682 4.572 -10.354 105 HG3 GLU 16 2HG GLU 16 -2.986 4.715 -9.897 106 H ASP 17 H ASP 17 -6.657 1.709 -8.565 107 HA ASP 17 HA ASP 17 -6.710 -0.072 -6.446 108 HB2 ASP 17 1HB ASP 17 -7.815 -0.742 -9.169 109 HB3 ASP 17 2HB ASP 17 -8.438 -1.220 -7.593 110 H GLN 18 H GLN 18 -5.602 -1.843 -5.939 111 HA GLN 18 HA GLN 18 -3.831 -3.000 -7.975 112 HB2 GLN 18 1HB GLN 18 -3.722 -3.118 -4.958 113 HB3 GLN 18 2HB GLN 18 -2.618 -3.980 -6.021 114 HG2 GLN 18 1HG GLN 18 -2.915 -1.006 -5.714 115 HG3 GLN 18 2HG GLN 18 -1.531 -2.004 -5.271 116 HE21 GLN 18 1HE2 GLN 18 -1.434 0.264 -6.945 117 HE22 GLN 18 2HE2 GLN 18 -0.939 -0.255 -8.516 118 H TRP 19 H TRP 19 -4.080 -5.039 -8.656 119 HA TRP 19 HA TRP 19 -6.178 -6.651 -7.367 120 HB2 TRP 19 1HB TRP 19 -5.223 -6.458 -10.210 121 HB3 TRP 19 2HB TRP 19 -6.077 -7.892 -9.647 122 HD1 TRP 19 HD TRP 19 -8.652 -7.489 -8.777 123 HE1 TRP 19 1HE TRP 19 -10.395 -5.756 -9.540 124 HE3 TRP 19 3HE TRP 19 -5.527 -4.145 -11.054 125 HZ2 TRP 19 2HZ TRP 19 -10.439 -3.296 -10.924 126 HZ3 TRP 19 3HZ TRP 19 -6.500 -2.128 -12.073 127 HH2 TRP 19 HH TRP 19 -8.905 -1.714 -12.009 128 H VAL 20 H VAL 20 -5.168 -7.927 -5.918 129 HA VAL 20 HA VAL 20 -3.017 -9.662 -6.936 130 HB VAL 20 HB VAL 20 -1.903 -9.616 -4.792 131 HG11 VAL 20 1HG1 VAL 20 -0.764 -7.766 -5.311 132 HG12 VAL 20 2HG1 VAL 20 -1.950 -7.541 -6.598 133 HG13 VAL 20 3HG1 VAL 20 -2.164 -6.727 -5.048 134 HG21 VAL 20 3HG2 VAL 20 -2.635 -8.399 -2.915 135 HG22 VAL 20 1HG2 VAL 20 -3.840 -7.518 -3.856 136 HG23 VAL 20 2HG2 VAL 20 -4.070 -9.232 -3.513 137 H ALA 21 H ALA 21 -2.683 -11.432 -5.010 138 HA ALA 21 HA ALA 21 -5.355 -12.618 -4.637 139 HB1 ALA 21 3HB ALA 21 -4.572 -14.520 -5.473 140 HB2 ALA 21 1HB ALA 21 -3.087 -13.664 -5.890 141 HB3 ALA 21 2HB ALA 21 -3.212 -14.516 -4.350 142 HA PRO 22 HA PRO 22 -4.892 -12.801 -0.278 143 HB2 PRO 22 1HB PRO 22 -5.760 -15.297 0.346 144 HB3 PRO 22 2HB PRO 22 -6.844 -14.010 -0.193 145 HG2 PRO 22 1HG PRO 22 -5.665 -16.272 -1.759 146 HG3 PRO 22 2HG PRO 22 -7.320 -15.634 -1.788 147 HD2 PRO 22 1HD PRO 22 -5.484 -15.011 -3.679 148 HD3 PRO 22 2HD PRO 22 -6.752 -13.878 -3.168 149 H GLY 23 H GLY 23 -2.606 -12.659 -0.114 150 HA2 GLY 23 1HA GLY 23 -1.134 -14.075 1.453 151 HA3 GLY 23 2HA GLY 23 -1.183 -15.226 0.126 152 H GLU 24 H GLU 24 -1.244 -12.602 -1.600 153 HA GLU 24 HA GLU 24 1.636 -12.565 -1.971 154 HB2 GLU 24 1HB GLU 24 -0.254 -10.883 -3.570 155 HB3 GLU 24 2HB GLU 24 1.243 -11.656 -4.070 156 HG2 GLU 24 1HG GLU 24 -0.153 -13.846 -3.559 157 HG3 GLU 24 2HG GLU 24 -1.500 -12.760 -3.895 158 H ASP 25 H ASP 25 2.603 -10.343 -2.529 159 HA ASP 25 HA ASP 25 1.903 -8.517 -0.339 160 HB2 ASP 25 1HB ASP 25 4.193 -7.561 -0.761 161 HB3 ASP 25 2HB ASP 25 4.184 -9.237 -0.221 162 H VAL 26 H VAL 26 1.118 -6.543 -0.723 163 HA VAL 26 HA VAL 26 0.892 -5.681 -3.522 164 HB VAL 26 HB VAL 26 -0.696 -4.925 -1.071 165 HG11 VAL 26 1HG1 VAL 26 -2.072 -3.647 -2.866 166 HG12 VAL 26 2HG1 VAL 26 -0.632 -2.894 -2.178 167 HG13 VAL 26 3HG1 VAL 26 -0.559 -3.648 -3.772 168 HG21 VAL 26 3HG2 VAL 26 -2.316 -5.734 -3.231 169 HG22 VAL 26 1HG2 VAL 26 -0.994 -6.896 -3.120 170 HG23 VAL 26 2HG2 VAL 26 -2.018 -6.589 -1.718 171 H GLU 27 H GLU 27 1.551 -3.666 -4.192 172 HA GLU 27 HA GLU 27 2.956 -1.998 -2.218 173 HB2 GLU 27 1HB GLU 27 3.931 -2.651 -5.004 174 HB3 GLU 27 2HB GLU 27 4.709 -1.546 -3.880 175 HG2 GLU 27 1HG GLU 27 5.286 -3.308 -2.407 176 HG3 GLU 27 2HG GLU 27 4.263 -4.453 -3.272 177 H LEU 28 H LEU 28 2.077 -0.049 -2.143 178 HA LEU 28 HA LEU 28 0.776 1.010 -4.562 179 HB2 LEU 28 1HB LEU 28 0.295 1.749 -1.679 180 HB3 LEU 28 2HB LEU 28 -0.569 2.392 -3.074 181 HG LEU 28 HG LEU 28 -0.621 -0.545 -2.508 182 HD11 LEU 28 1HD1 LEU 28 -1.979 -0.397 -0.743 183 HD12 LEU 28 2HD1 LEU 28 -2.877 0.955 -1.432 184 HD13 LEU 28 3HD1 LEU 28 -1.365 1.248 -0.573 185 HD21 LEU 28 3HD2 LEU 28 -2.751 1.259 -3.624 186 HD22 LEU 28 1HD2 LEU 28 -2.635 -0.497 -3.734 187 HD23 LEU 28 2HD2 LEU 28 -1.505 0.518 -4.630 188 H ARG 29 H ARG 29 2.592 1.970 -5.475 189 HA ARG 29 HA ARG 29 4.200 3.818 -3.947 190 HB2 ARG 29 1HB ARG 29 4.178 2.977 -6.840 191 HB3 ARG 29 2HB ARG 29 5.219 4.267 -6.251 192 HG2 ARG 29 1HG ARG 29 6.408 2.782 -4.838 193 HG3 ARG 29 2HG ARG 29 5.232 1.492 -5.098 194 HD2 ARG 29 1HD ARG 29 6.755 2.671 -7.393 195 HD3 ARG 29 2HD ARG 29 7.476 1.422 -6.379 196 HE ARG 29 HE ARG 29 4.915 0.605 -7.233 197 HH11 ARG 29 2HH1 ARG 29 8.151 1.093 -8.421 198 HH12 ARG 29 1HH1 ARG 29 8.012 -0.099 -9.670 199 HH21 ARG 29 2HH2 ARG 29 4.720 -0.968 -8.874 200 HH22 ARG 29 1HH2 ARG 29 6.060 -1.271 -9.928 201 H CYS 30 H CYS 30 4.534 6.062 -4.665 202 HA CYS 30 HA CYS 30 2.347 7.291 -6.130 203 HB2 CYS 30 1HB CYS 30 1.504 8.615 -4.418 204 HB3 CYS 30 2HB CYS 30 1.803 7.094 -3.586 205 HG CYS 30 HG CYS 30 4.122 9.594 -3.545 206 H GLU 31 H GLU 31 2.759 9.887 -5.772 207 HA GLU 31 HA GLU 31 5.622 10.429 -5.961 208 HB2 GLU 31 1HB GLU 31 4.606 9.910 -8.266 209 HB3 GLU 31 2HB GLU 31 3.766 11.446 -8.101 210 HG2 GLU 31 1HG GLU 31 5.671 12.677 -8.328 211 HG3 GLU 31 2HG GLU 31 6.705 11.403 -7.684 212 H LEU 32 H LEU 32 6.200 12.458 -5.313 213 HA LEU 32 HA LEU 32 4.014 14.291 -4.577 214 HB2 LEU 32 1HB LEU 32 6.561 14.216 -3.027 215 HB3 LEU 32 2HB LEU 32 4.960 14.754 -2.525 216 HG LEU 32 HG LEU 32 5.431 11.855 -3.076 217 HD11 LEU 32 1HD1 LEU 32 5.736 12.296 -0.310 218 HD12 LEU 32 2HD1 LEU 32 6.871 13.367 -1.130 219 HD13 LEU 32 3HD1 LEU 32 6.912 11.632 -1.444 220 HD21 LEU 32 3HD2 LEU 32 3.236 12.054 -2.579 221 HD22 LEU 32 1HD2 LEU 32 3.461 13.557 -1.684 222 HD23 LEU 32 2HD2 LEU 32 3.839 12.012 -0.921 223 H SER 33 H SER 33 4.366 16.479 -4.865 224 HA SER 33 HA SER 33 5.960 17.283 -6.992 225 HB2 SER 33 1HB SER 33 4.259 18.785 -6.563 226 HB3 SER 33 2HB SER 33 4.502 18.724 -4.817 227 HG SER 33 HG SER 33 6.527 19.795 -6.427 228 H ARG 34 H ARG 34 6.725 16.964 -3.621 229 HA ARG 34 HA ARG 34 9.513 17.567 -4.208 230 HB2 ARG 34 1HB ARG 34 9.799 19.178 -2.503 231 HB3 ARG 34 2HB ARG 34 8.362 19.679 -3.384 232 HG2 ARG 34 1HG ARG 34 6.954 19.185 -1.649 233 HG3 ARG 34 2HG ARG 34 8.034 17.961 -0.979 234 HD2 ARG 34 1HD ARG 34 9.561 19.714 -0.229 235 HD3 ARG 34 2HD ARG 34 8.497 20.941 -0.917 236 HE ARG 34 HE ARG 34 6.920 19.520 0.816 237 HH11 ARG 34 2HH1 ARG 34 9.890 21.320 1.054 238 HH12 ARG 34 1HH1 ARG 34 9.624 21.794 2.699 239 HH21 ARG 34 2HH2 ARG 34 6.558 20.137 2.981 240 HH22 ARG 34 1HH2 ARG 34 7.728 21.119 3.795 241 H ALA 35 H ALA 35 10.978 16.819 -2.530 242 HA ALA 35 HA ALA 35 9.945 14.418 -1.244 243 HB1 ALA 35 3HB ALA 35 12.770 14.905 -0.851 244 HB2 ALA 35 1HB ALA 35 11.956 13.547 -1.629 245 HB3 ALA 35 2HB ALA 35 12.318 15.006 -2.552 246 H GLY 36 H GLY 36 11.395 13.981 0.911 247 HA2 GLY 36 1HA GLY 36 11.623 14.479 3.140 248 HA3 GLY 36 2HA GLY 36 11.901 16.140 2.637 249 H THR 37 H THR 37 8.989 14.184 2.175 250 HA THR 37 HA THR 37 7.571 15.941 4.061 251 HB THR 37 HB THR 37 6.741 15.261 1.243 252 HG1 THR 37 1HG THR 37 7.890 17.178 1.421 253 HG21 THR 37 3HG2 THR 37 4.793 14.826 2.556 254 HG22 THR 37 1HG2 THR 37 4.586 16.416 1.824 255 HG23 THR 37 2HG2 THR 37 5.047 16.280 3.521 256 HA PRO 38 HA PRO 38 6.245 12.000 5.620 257 HB2 PRO 38 1HB PRO 38 4.523 12.971 7.480 258 HB3 PRO 38 2HB PRO 38 6.277 12.990 7.693 259 HG2 PRO 38 1HG PRO 38 4.452 15.194 6.813 260 HG3 PRO 38 2HG PRO 38 5.813 15.255 7.947 261 HD2 PRO 38 1HD PRO 38 6.019 16.085 5.378 262 HD3 PRO 38 2HD PRO 38 7.379 15.358 6.259 263 H VAL 39 H VAL 39 4.462 10.656 5.445 264 HA VAL 39 HA VAL 39 2.122 11.796 4.060 265 HB VAL 39 HB VAL 39 3.631 10.260 2.693 266 HG11 VAL 39 1HG1 VAL 39 3.201 8.578 4.928 267 HG12 VAL 39 2HG1 VAL 39 2.423 7.824 3.536 268 HG13 VAL 39 3HG1 VAL 39 4.135 8.244 3.471 269 HG21 VAL 39 3HG2 VAL 39 0.895 9.093 2.824 270 HG22 VAL 39 1HG2 VAL 39 1.069 10.805 2.440 271 HG23 VAL 39 2HG2 VAL 39 1.844 9.590 1.423 272 H HIS 40 H HIS 40 0.128 10.438 4.299 273 HA HIS 40 HA HIS 40 0.015 9.064 6.893 274 HB2 HIS 40 1HB HIS 40 -0.859 11.559 6.774 275 HB3 HIS 40 2HB HIS 40 -2.283 10.789 6.078 276 HD1 HIS 40 1HD HIS 40 -2.766 12.149 8.658 277 HD2 HIS 40 2HD HIS 40 -1.401 8.229 8.477 278 HE1 HIS 40 1HE HIS 40 -3.391 11.117 10.865 279 HE2 HIS 40 2HE HIS 40 -2.479 8.771 10.765 280 H TRP 41 H TRP 41 -0.682 7.067 6.571 281 HA TRP 41 HA TRP 41 -2.382 6.498 4.253 282 HB2 TRP 41 1HB TRP 41 -0.801 4.661 6.062 283 HB3 TRP 41 2HB TRP 41 -1.807 4.116 4.723 284 HD1 TRP 41 HD TRP 41 1.509 5.873 5.457 285 HE1 TRP 41 1HE TRP 41 2.925 5.891 3.308 286 HE3 TRP 41 3HE TRP 41 -1.976 4.081 2.174 287 HZ2 TRP 41 2HZ TRP 41 2.607 5.233 0.581 288 HZ3 TRP 41 3HZ TRP 41 -1.340 3.805 -0.187 289 HH2 TRP 41 HH TRP 41 0.904 4.370 -0.965 290 H LEU 42 H LEU 42 -4.498 6.466 4.591 291 HA LEU 42 HA LEU 42 -5.494 5.533 7.202 292 HB2 LEU 42 1HB LEU 42 -6.832 7.400 5.250 293 HB3 LEU 42 2HB LEU 42 -7.472 6.899 6.814 294 HG LEU 42 HG LEU 42 -4.840 8.293 6.741 295 HD11 LEU 42 1HD1 LEU 42 -6.222 10.449 6.980 296 HD12 LEU 42 2HD1 LEU 42 -7.498 9.548 6.162 297 HD13 LEU 42 3HD1 LEU 42 -5.947 9.802 5.363 298 HD21 LEU 42 3HD2 LEU 42 -6.416 9.306 8.755 299 HD22 LEU 42 1HD2 LEU 42 -5.227 8.014 8.921 300 HD23 LEU 42 2HD2 LEU 42 -6.925 7.619 8.658 301 H LYS 43 H LYS 43 -6.448 3.619 7.158 302 HA LYS 43 HA LYS 43 -7.618 2.677 4.628 303 HB2 LYS 43 1HB LYS 43 -5.852 1.230 5.365 304 HB3 LYS 43 2HB LYS 43 -6.510 1.166 6.995 305 HG2 LYS 43 1HG LYS 43 -8.604 0.169 5.753 306 HG3 LYS 43 2HG LYS 43 -7.397 -0.238 4.531 307 HD2 LYS 43 1HD LYS 43 -6.070 -1.139 6.619 308 HD3 LYS 43 2HD LYS 43 -7.684 -1.227 7.329 309 HE2 LYS 43 1HE LYS 43 -8.228 -2.394 5.012 310 HE3 LYS 43 2HE LYS 43 -6.505 -2.763 5.075 311 HZ1 LYS 43 3HZ LYS 43 -7.946 -4.493 6.070 312 HZ2 LYS 43 1HZ LYS 43 -8.414 -3.386 7.260 313 HZ3 LYS 43 2HZ LYS 43 -6.799 -3.875 7.148 314 H ASP 44 H ASP 44 -9.721 3.237 4.660 315 HA ASP 44 HA ASP 44 -11.922 3.238 5.235 316 HB2 ASP 44 1HB ASP 44 -11.084 1.065 7.168 317 HB3 ASP 44 2HB ASP 44 -12.741 1.442 6.704 318 H ARG 45 H ARG 45 -10.660 5.311 6.262 319 HA ARG 45 HA ARG 45 -10.678 6.900 7.890 320 HB2 ARG 45 1HB ARG 45 -13.067 5.375 8.939 321 HB3 ARG 45 2HB ARG 45 -12.671 7.058 9.260 322 HG2 ARG 45 1HG ARG 45 -13.023 6.222 6.433 323 HG3 ARG 45 2HG ARG 45 -14.458 6.367 7.450 324 HD2 ARG 45 1HD ARG 45 -14.184 8.636 7.744 325 HD3 ARG 45 2HD ARG 45 -12.450 8.572 7.434 326 HE ARG 45 HE ARG 45 -12.880 8.885 5.213 327 HH11 ARG 45 2HH1 ARG 45 -15.804 7.849 6.792 328 HH12 ARG 45 1HH1 ARG 45 -16.799 8.090 5.394 329 HH21 ARG 45 2HH2 ARG 45 -14.179 9.206 3.366 330 HH22 ARG 45 1HH2 ARG 45 -15.873 8.860 3.445 331 H LYS 46 H LYS 46 -8.857 4.925 8.363 332 HA LYS 46 HA LYS 46 -8.735 4.955 11.272 333 HB2 LYS 46 1HB LYS 46 -8.741 2.455 9.600 334 HB3 LYS 46 2HB LYS 46 -7.937 2.501 11.163 335 HG2 LYS 46 1HG LYS 46 -10.816 3.274 10.822 336 HG3 LYS 46 2HG LYS 46 -10.307 1.610 11.113 337 HD2 LYS 46 1HD LYS 46 -9.404 3.837 12.905 338 HD3 LYS 46 2HD LYS 46 -10.977 3.071 13.132 339 HE2 LYS 46 1HE LYS 46 -8.571 1.338 12.859 340 HE3 LYS 46 2HE LYS 46 -8.822 2.195 14.379 341 HZ1 LYS 46 3HZ LYS 46 -10.600 0.934 14.901 342 HZ2 LYS 46 1HZ LYS 46 -9.858 -0.186 13.872 343 HZ3 LYS 46 2HZ LYS 46 -11.123 0.780 13.300 344 H ALA 47 H ALA 47 -6.832 5.805 11.762 345 HA ALA 47 HA ALA 47 -4.728 6.171 9.948 346 HB1 ALA 47 3HB ALA 47 -4.660 6.234 12.962 347 HB2 ALA 47 1HB ALA 47 -3.409 6.872 11.895 348 HB3 ALA 47 2HB ALA 47 -5.020 7.591 11.896 349 H ILE 48 H ILE 48 -3.096 4.914 9.310 350 HA ILE 48 HA ILE 48 -2.852 2.254 10.484 351 HB ILE 48 HB ILE 48 -1.454 3.342 8.040 352 HG12 ILE 48 1HG1 ILE 48 -3.991 1.700 8.194 353 HG13 ILE 48 2HG1 ILE 48 -3.926 3.419 7.819 354 HG21 ILE 48 1HG2 ILE 48 -0.344 1.423 8.079 355 HG22 ILE 48 2HG2 ILE 48 -1.229 0.906 9.513 356 HG23 ILE 48 3HG2 ILE 48 -1.872 0.560 7.908 357 HD11 ILE 48 3HD1 ILE 48 -2.229 1.733 6.129 358 HD12 ILE 48 1HD1 ILE 48 -3.961 1.436 5.981 359 HD13 ILE 48 2HD1 ILE 48 -3.316 3.054 5.699 360 H ARG 49 H ARG 49 -0.970 1.430 11.351 361 HA ARG 49 HA ARG 49 1.159 3.398 11.889 362 HB2 ARG 49 1HB ARG 49 0.257 1.128 13.673 363 HB3 ARG 49 2HB ARG 49 1.536 2.281 14.032 364 HG2 ARG 49 1HG ARG 49 -0.260 4.080 13.815 365 HG3 ARG 49 2HG ARG 49 -1.421 2.752 13.892 366 HD2 ARG 49 1HD ARG 49 0.707 3.296 15.959 367 HD3 ARG 49 2HD ARG 49 -0.972 3.818 16.090 368 HE ARG 49 HE ARG 49 -1.158 1.140 15.682 369 HH11 ARG 49 2HH1 ARG 49 0.559 3.132 17.963 370 HH12 ARG 49 1HH1 ARG 49 0.510 1.951 19.230 371 HH21 ARG 49 2HH2 ARG 49 -1.228 -0.423 17.342 372 HH22 ARG 49 1HH2 ARG 49 -0.506 -0.071 18.875 373 H LYS 50 H LYS 50 2.976 2.913 10.868 374 HA LYS 50 HA LYS 50 3.609 0.785 9.352 375 HB2 LYS 50 1HB LYS 50 5.047 2.747 9.529 376 HB3 LYS 50 2HB LYS 50 5.519 2.280 11.157 377 HG2 LYS 50 1HG LYS 50 6.417 0.141 10.108 378 HG3 LYS 50 2HG LYS 50 6.232 0.965 8.558 379 HD2 LYS 50 1HD LYS 50 7.682 2.340 10.775 380 HD3 LYS 50 2HD LYS 50 8.503 1.068 9.868 381 HE2 LYS 50 1HE LYS 50 7.648 2.389 7.789 382 HE3 LYS 50 2HE LYS 50 7.495 3.723 8.932 383 HZ1 LYS 50 3HZ LYS 50 9.620 4.022 8.196 384 HZ2 LYS 50 1HZ LYS 50 9.911 2.371 7.967 385 HZ3 LYS 50 2HZ LYS 50 9.924 3.023 9.528 386 H SER 51 H SER 51 4.324 -1.278 9.563 387 HA SER 51 HA SER 51 5.412 -2.358 11.950 388 HB2 SER 51 1HB SER 51 3.616 -3.728 12.726 389 HB3 SER 51 2HB SER 51 2.961 -2.099 12.562 390 HG SER 51 HG SER 51 2.441 -3.012 10.294 391 H GLN 52 H GLN 52 5.636 -4.772 11.798 392 HA GLN 52 HA GLN 52 6.973 -5.641 9.661 393 HB2 GLN 52 1HB GLN 52 6.378 -6.905 11.821 394 HB3 GLN 52 2HB GLN 52 4.980 -7.500 10.935 395 HG2 GLN 52 1HG GLN 52 6.547 -9.181 10.668 396 HG3 GLN 52 2HG GLN 52 6.673 -8.262 9.169 397 HE21 GLN 52 1HE2 GLN 52 8.293 -9.401 11.928 398 HE22 GLN 52 2HE2 GLN 52 9.826 -8.663 11.626 399 H LYS 53 H LYS 53 3.456 -5.581 9.904 400 HA LYS 53 HA LYS 53 2.992 -6.887 7.412 401 HB2 LYS 53 1HB LYS 53 1.201 -7.008 8.918 402 HB3 LYS 53 2HB LYS 53 1.287 -5.295 9.305 403 HG2 LYS 53 1HG LYS 53 -0.660 -5.621 8.000 404 HG3 LYS 53 2HG LYS 53 0.526 -4.822 6.965 405 HD2 LYS 53 1HD LYS 53 -0.200 -6.460 5.542 406 HD3 LYS 53 2HD LYS 53 1.131 -7.312 6.328 407 HE2 LYS 53 1HE LYS 53 -0.677 -8.818 6.349 408 HE3 LYS 53 2HE LYS 53 -0.592 -8.167 7.985 409 HZ1 LYS 53 3HZ LYS 53 -2.738 -8.071 6.157 410 HZ2 LYS 53 1HZ LYS 53 -2.266 -6.493 6.542 411 HZ3 LYS 53 2HZ LYS 53 -2.698 -7.570 7.772 412 H TYR 54 H TYR 54 2.221 -3.526 8.323 413 HA TYR 54 HA TYR 54 2.411 -2.733 5.536 414 HB2 TYR 54 1HB TYR 54 1.740 -1.049 7.956 415 HB3 TYR 54 2HB TYR 54 1.505 -0.602 6.270 416 HD1 TYR 54 2HD TYR 54 0.043 -2.410 4.913 417 HD2 TYR 54 1HD TYR 54 -0.118 -1.760 9.114 418 HE1 TYR 54 2HE TYR 54 -2.220 -3.372 4.969 419 HE2 TYR 54 1HE TYR 54 -2.381 -2.721 9.182 420 HH TYR 54 HH TYR 54 -3.938 -3.964 6.240 421 H ASP 55 H ASP 55 4.231 -2.024 4.668 422 HA ASP 55 HA ASP 55 6.294 -0.890 6.436 423 HB2 ASP 55 1HB ASP 55 6.584 -2.238 3.743 424 HB3 ASP 55 2HB ASP 55 7.908 -1.525 4.659 425 H VAL 56 H VAL 56 6.233 1.259 6.390 426 HA VAL 56 HA VAL 56 5.348 2.686 4.029 427 HB VAL 56 HB VAL 56 6.395 3.856 6.606 428 HG11 VAL 56 1HG1 VAL 56 4.437 5.104 4.707 429 HG12 VAL 56 2HG1 VAL 56 5.438 5.877 5.937 430 HG13 VAL 56 3HG1 VAL 56 6.177 5.254 4.461 431 HG21 VAL 56 3HG2 VAL 56 4.529 2.349 7.074 432 HG22 VAL 56 1HG2 VAL 56 4.062 4.033 7.315 433 HG23 VAL 56 2HG2 VAL 56 3.550 3.175 5.861 434 H VAL 57 H VAL 57 6.853 2.616 2.438 435 HA VAL 57 HA VAL 57 9.645 3.194 3.071 436 HB VAL 57 HB VAL 57 8.403 2.439 0.422 437 HG11 VAL 57 1HG1 VAL 57 11.305 2.404 1.232 438 HG12 VAL 57 2HG1 VAL 57 10.631 2.097 -0.370 439 HG13 VAL 57 3HG1 VAL 57 10.551 3.716 0.326 440 HG21 VAL 57 3HG2 VAL 57 8.132 0.598 1.904 441 HG22 VAL 57 1HG2 VAL 57 9.520 0.232 0.879 442 HG23 VAL 57 2HG2 VAL 57 9.768 0.783 2.536 443 H CYS 58 H CYS 58 10.547 5.123 2.761 444 HA CYS 58 HA CYS 58 9.175 7.050 1.007 445 HB2 CYS 58 1HB CYS 58 8.740 7.684 3.310 446 HB3 CYS 58 2HB CYS 58 10.455 7.590 3.693 447 HG CYS 58 HG CYS 58 11.218 9.835 2.404 448 H GLU 59 H GLU 59 10.549 6.767 -0.721 449 HA GLU 59 HA GLU 59 13.415 7.200 -0.267 450 HB2 GLU 59 1HB GLU 59 11.859 6.035 -2.568 451 HB3 GLU 59 2HB GLU 59 13.550 6.491 -2.726 452 HG2 GLU 59 1HG GLU 59 13.998 4.976 -0.747 453 HG3 GLU 59 2HG GLU 59 12.355 4.375 -0.966 454 H GLY 60 H GLY 60 12.003 9.476 0.090 455 HA2 GLY 60 1HA GLY 60 12.459 11.686 -0.576 456 HA3 GLY 60 2HA GLY 60 12.929 11.088 -2.160 457 H THR 61 H THR 61 11.566 11.455 -3.774 458 HA THR 61 HA THR 61 8.916 12.491 -3.168 459 HB THR 61 HB THR 61 8.840 12.830 -5.704 460 HG1 THR 61 1HG THR 61 10.800 11.296 -5.824 461 HG21 THR 61 3HG2 THR 61 9.894 14.364 -3.660 462 HG22 THR 61 1HG2 THR 61 9.513 14.924 -5.287 463 HG23 THR 61 2HG2 THR 61 11.152 14.403 -4.895 464 H MET 62 H MET 62 9.279 9.735 -2.622 465 HA MET 62 HA MET 62 7.140 8.663 -4.253 466 HB2 MET 62 1HB MET 62 9.071 8.001 -5.564 467 HB3 MET 62 2HB MET 62 9.852 7.335 -4.136 468 HG2 MET 62 1HG MET 62 7.637 5.887 -4.059 469 HG3 MET 62 2HG MET 62 7.651 6.238 -5.786 470 HE1 MET 62 3HE MET 62 9.182 4.891 -2.791 471 HE2 MET 62 1HE MET 62 9.115 3.247 -3.429 472 HE3 MET 62 2HE MET 62 10.670 4.061 -3.249 473 H ALA 63 H ALA 63 5.746 7.804 -2.874 474 HA ALA 63 HA ALA 63 6.780 6.610 -0.384 475 HB1 ALA 63 3HB ALA 63 5.257 8.727 -0.362 476 HB2 ALA 63 1HB ALA 63 3.962 7.561 -0.636 477 HB3 ALA 63 2HB ALA 63 4.981 7.428 0.798 478 H MET 64 H MET 64 6.660 4.471 -0.356 479 HA MET 64 HA MET 64 4.455 3.166 -1.812 480 HB2 MET 64 1HB MET 64 6.768 2.734 -2.688 481 HB3 MET 64 2HB MET 64 7.148 1.964 -1.153 482 HG2 MET 64 1HG MET 64 5.458 0.280 -1.541 483 HG3 MET 64 2HG MET 64 4.975 1.079 -3.036 484 HE1 MET 64 3HE MET 64 7.821 -0.101 -1.039 485 HE2 MET 64 1HE MET 64 8.401 -1.501 -1.943 486 HE3 MET 64 2HE MET 64 9.143 0.079 -2.194 487 H LEU 65 H LEU 65 3.364 1.463 -0.829 488 HA LEU 65 HA LEU 65 3.961 1.011 2.016 489 HB2 LEU 65 1HB LEU 65 2.089 2.509 1.921 490 HB3 LEU 65 2HB LEU 65 1.274 1.485 0.742 491 HG LEU 65 HG LEU 65 1.250 -0.291 2.598 492 HD11 LEU 65 1HD1 LEU 65 1.109 0.882 4.879 493 HD12 LEU 65 2HD1 LEU 65 2.052 2.162 4.118 494 HD13 LEU 65 3HD1 LEU 65 2.705 0.527 4.218 495 HD21 LEU 65 3HD2 LEU 65 -0.485 1.900 3.495 496 HD22 LEU 65 1HD2 LEU 65 -0.895 0.275 2.944 497 HD23 LEU 65 2HD2 LEU 65 -0.566 1.548 1.768 498 H VAL 66 H VAL 66 4.732 -1.018 1.990 499 HA VAL 66 HA VAL 66 3.648 -3.040 0.241 500 HB VAL 66 HB VAL 66 5.556 -3.543 2.513 501 HG11 VAL 66 1HG1 VAL 66 5.040 -4.880 -0.138 502 HG12 VAL 66 2HG1 VAL 66 6.392 -5.281 0.924 503 HG13 VAL 66 3HG1 VAL 66 4.733 -5.532 1.471 504 HG21 VAL 66 3HG2 VAL 66 7.170 -3.258 0.341 505 HG22 VAL 66 1HG2 VAL 66 5.983 -1.983 0.067 506 HG23 VAL 66 2HG2 VAL 66 6.909 -2.018 1.567 507 H ILE 67 H ILE 67 2.214 -4.598 0.727 508 HA ILE 67 HA ILE 67 1.248 -4.738 3.509 509 HB ILE 67 HB ILE 67 -0.344 -5.169 0.979 510 HG12 ILE 67 1HG1 ILE 67 -0.958 -3.065 3.009 511 HG13 ILE 67 2HG1 ILE 67 0.357 -2.777 1.875 512 HG21 ILE 67 1HG2 ILE 67 -0.803 -6.461 3.263 513 HG22 ILE 67 2HG2 ILE 67 -1.640 -4.955 3.632 514 HG23 ILE 67 3HG2 ILE 67 -2.104 -5.896 2.215 515 HD11 ILE 67 3HD1 ILE 67 -2.315 -3.636 0.868 516 HD12 ILE 67 1HD1 ILE 67 -2.031 -1.955 1.318 517 HD13 ILE 67 2HD1 ILE 67 -1.054 -2.709 0.057 518 H ARG 68 H ARG 68 2.935 -6.393 3.761 519 HA ARG 68 HA ARG 68 3.240 -8.732 2.403 520 HB2 ARG 68 1HB ARG 68 3.307 -8.233 5.377 521 HB3 ARG 68 2HB ARG 68 3.772 -9.772 4.663 522 HG2 ARG 68 1HG ARG 68 5.040 -7.191 3.814 523 HG3 ARG 68 2HG ARG 68 5.623 -8.110 5.204 524 HD2 ARG 68 1HD ARG 68 5.347 -9.195 2.404 525 HD3 ARG 68 2HD ARG 68 6.852 -8.614 3.117 526 HE ARG 68 HE ARG 68 5.626 -10.632 4.713 527 HH11 ARG 68 2HH1 ARG 68 7.566 -10.105 1.871 528 HH12 ARG 68 1HH1 ARG 68 8.323 -11.661 1.939 529 HH21 ARG 68 2HH2 ARG 68 6.616 -12.685 4.814 530 HH22 ARG 68 1HH2 ARG 68 7.782 -13.129 3.613 531 H GLY 69 H GLY 69 2.230 -10.693 2.246 532 HA2 GLY 69 1HA GLY 69 0.309 -11.976 2.024 533 HA3 GLY 69 2HA GLY 69 0.412 -11.943 3.778 534 H ALA 70 H ALA 70 -0.925 -10.219 0.990 535 HA ALA 70 HA ALA 70 -2.751 -8.694 2.609 536 HB1 ALA 70 3HB ALA 70 -2.475 -7.431 0.783 537 HB2 ALA 70 1HB ALA 70 -1.978 -8.804 -0.206 538 HB3 ALA 70 2HB ALA 70 -3.692 -8.477 0.051 539 H SER 71 H SER 71 -4.208 -9.928 3.680 540 HA SER 71 HA SER 71 -5.516 -12.167 2.421 541 HB2 SER 71 1HB SER 71 -5.744 -10.862 5.127 542 HB3 SER 71 2HB SER 71 -6.862 -12.127 4.616 543 HG SER 71 HG SER 71 -5.325 -13.338 5.443 544 H LEU 72 H LEU 72 -7.869 -12.355 2.295 545 HA LEU 72 HA LEU 72 -9.106 -10.592 0.675 546 HB2 LEU 72 1HB LEU 72 -10.488 -12.096 2.893 547 HB3 LEU 72 2HB LEU 72 -11.245 -11.470 1.430 548 HG LEU 72 HG LEU 72 -9.097 -13.581 1.402 549 HD11 LEU 72 1HD1 LEU 72 -10.693 -15.260 1.414 550 HD12 LEU 72 2HD1 LEU 72 -12.012 -14.149 1.045 551 HD13 LEU 72 3HD1 LEU 72 -11.285 -14.151 2.651 552 HD21 LEU 72 3HD2 LEU 72 -9.715 -12.099 -0.638 553 HD22 LEU 72 1HD2 LEU 72 -11.166 -13.098 -0.700 554 HD23 LEU 72 2HD2 LEU 72 -9.575 -13.845 -0.844 555 H LYS 73 H LYS 73 -8.838 -10.335 4.165 556 HA LYS 73 HA LYS 73 -10.660 -8.197 4.510 557 HB2 LYS 73 1HB LYS 73 -9.719 -9.724 6.308 558 HB3 LYS 73 2HB LYS 73 -8.249 -8.761 6.235 559 HG2 LYS 73 1HG LYS 73 -9.405 -7.829 8.008 560 HG3 LYS 73 2HG LYS 73 -9.804 -6.753 6.667 561 HD2 LYS 73 1HD LYS 73 -11.974 -7.473 6.556 562 HD3 LYS 73 2HD LYS 73 -11.587 -9.078 7.179 563 HE2 LYS 73 1HE LYS 73 -11.270 -8.134 9.412 564 HE3 LYS 73 2HE LYS 73 -11.643 -6.527 8.790 565 HZ1 LYS 73 3HZ LYS 73 -13.859 -7.140 8.378 566 HZ2 LYS 73 1HZ LYS 73 -13.513 -7.746 9.920 567 HZ3 LYS 73 2HZ LYS 73 -13.543 -8.789 8.588 568 H ASP 74 H ASP 74 -7.133 -8.285 4.102 569 HA ASP 74 HA ASP 74 -6.377 -5.725 4.446 570 HB2 ASP 74 1HB ASP 74 -5.597 -7.642 2.254 571 HB3 ASP 74 2HB ASP 74 -4.827 -6.067 2.432 572 H ALA 75 H ALA 75 -8.265 -6.950 1.747 573 HA ALA 75 HA ALA 75 -8.161 -4.829 -0.011 574 HB1 ALA 75 3HB ALA 75 -9.632 -7.155 0.194 575 HB2 ALA 75 1HB ALA 75 -10.856 -5.884 0.231 576 HB3 ALA 75 2HB ALA 75 -9.720 -5.977 -1.116 577 H GLY 76 H GLY 76 -8.695 -2.753 0.126 578 HA2 GLY 76 1HA GLY 76 -11.079 -1.789 1.286 579 HA3 GLY 76 2HA GLY 76 -9.759 -1.565 2.424 580 H GLU 77 H GLU 77 -10.443 0.731 2.076 581 HA GLU 77 HA GLU 77 -9.314 1.859 -0.390 582 HB2 GLU 77 1HB GLU 77 -11.607 2.518 0.020 583 HB3 GLU 77 2HB GLU 77 -11.203 3.046 1.647 584 HG2 GLU 77 1HG GLU 77 -9.547 4.637 0.407 585 HG3 GLU 77 2HG GLU 77 -10.610 4.342 -0.968 586 H TYR 78 H TYR 78 -7.504 3.035 -0.347 587 HA TYR 78 HA TYR 78 -6.373 3.711 2.288 588 HB2 TYR 78 1HB TYR 78 -4.992 3.080 -0.326 589 HB3 TYR 78 2HB TYR 78 -4.160 3.669 1.108 590 HD1 TYR 78 1HD TYR 78 -4.185 2.256 3.194 591 HD2 TYR 78 2HD TYR 78 -5.527 0.793 -0.569 592 HE1 TYR 78 1HE TYR 78 -3.959 -0.051 4.017 593 HE2 TYR 78 2HE TYR 78 -5.306 -1.518 0.243 594 HH TYR 78 HH TYR 78 -4.019 -2.740 1.986 595 H THR 79 H THR 79 -6.737 5.789 2.712 596 HA THR 79 HA THR 79 -6.719 7.752 0.551 597 HB THR 79 HB THR 79 -7.406 8.119 3.475 598 HG1 THR 79 1HG THR 79 -8.807 6.775 1.969 599 HG21 THR 79 3HG2 THR 79 -6.884 10.257 2.773 600 HG22 THR 79 1HG2 THR 79 -8.600 10.173 2.376 601 HG23 THR 79 2HG2 THR 79 -7.391 9.950 1.112 602 H CYS 80 H CYS 80 -4.788 8.541 0.021 603 HA CYS 80 HA CYS 80 -2.649 8.710 1.961 604 HB2 CYS 80 1HB CYS 80 -2.481 8.091 -0.567 605 HB3 CYS 80 2HB CYS 80 -2.497 9.833 -0.818 606 HG CYS 80 HG CYS 80 -0.235 8.398 1.290 607 H GLU 81 H GLU 81 -3.137 10.285 3.434 608 HA GLU 81 HA GLU 81 -3.951 12.922 2.525 609 HB2 GLU 81 1HB GLU 81 -4.677 11.576 4.701 610 HB3 GLU 81 2HB GLU 81 -3.264 12.376 5.373 611 HG2 GLU 81 1HG GLU 81 -4.413 14.494 4.259 612 HG3 GLU 81 2HG GLU 81 -5.855 13.509 4.504 613 H VAL 82 H VAL 82 -2.589 14.527 2.120 614 HA VAL 82 HA VAL 82 0.094 14.446 3.336 615 HB VAL 82 HB VAL 82 -0.197 13.941 0.748 616 HG11 VAL 82 1HG1 VAL 82 -0.260 15.762 -0.669 617 HG12 VAL 82 2HG1 VAL 82 -1.389 16.252 0.595 618 HG13 VAL 82 3HG1 VAL 82 0.255 16.890 0.585 619 HG21 VAL 82 3HG2 VAL 82 1.881 14.757 2.419 620 HG22 VAL 82 1HG2 VAL 82 2.026 14.019 0.823 621 HG23 VAL 82 2HG2 VAL 82 2.019 15.775 0.986 622 H GLU 83 H GLU 83 1.139 16.782 2.624 623 HA GLU 83 HA GLU 83 0.439 18.665 4.331 624 HB2 GLU 83 1HB GLU 83 0.766 19.835 1.641 625 HB3 GLU 83 2HB GLU 83 1.668 20.137 3.119 626 HG2 GLU 83 1HG GLU 83 2.005 17.783 1.275 627 HG3 GLU 83 2HG GLU 83 3.095 19.159 1.430 628 H ALA 84 H ALA 84 -0.870 19.050 1.043 629 HA ALA 84 HA ALA 84 -3.422 19.895 2.248 630 HB1 ALA 84 3HB ALA 84 -3.279 21.903 1.315 631 HB2 ALA 84 1HB ALA 84 -1.638 21.510 0.802 632 HB3 ALA 84 2HB ALA 84 -2.999 21.189 -0.273 633 H SER 85 H SER 85 -1.752 18.184 -0.263 634 HA SER 85 HA SER 85 -4.091 17.672 -1.855 635 HB2 SER 85 1HB SER 85 -1.512 17.656 -2.499 636 HB3 SER 85 2HB SER 85 -1.660 15.953 -2.067 637 HG SER 85 HG SER 85 -2.132 16.157 -4.234 638 H LYS 86 H LYS 86 -4.708 15.364 -2.360 639 HA LYS 86 HA LYS 86 -4.341 13.441 -0.236 640 HB2 LYS 86 1HB LYS 86 -6.962 14.846 -0.686 641 HB3 LYS 86 2HB LYS 86 -6.907 13.219 -0.019 642 HG2 LYS 86 1HG LYS 86 -5.176 14.358 1.632 643 HG3 LYS 86 2HG LYS 86 -6.095 15.799 1.191 644 HD2 LYS 86 1HD LYS 86 -7.361 13.246 2.171 645 HD3 LYS 86 2HD LYS 86 -6.923 14.589 3.230 646 HE2 LYS 86 1HE LYS 86 -9.103 15.121 2.808 647 HE3 LYS 86 2HE LYS 86 -8.325 15.972 1.475 648 HZ1 LYS 86 3HZ LYS 86 -9.881 14.854 0.305 649 HZ2 LYS 86 1HZ LYS 86 -10.011 13.597 1.430 650 HZ3 LYS 86 2HZ LYS 86 -8.720 13.624 0.338 651 H SER 87 H SER 87 -4.697 11.364 -0.901 652 HA SER 87 HA SER 87 -5.814 10.999 -3.602 653 HB2 SER 87 1HB SER 87 -3.287 10.845 -3.512 654 HB3 SER 87 2HB SER 87 -3.487 9.416 -2.498 655 HG SER 87 HG SER 87 -4.696 8.486 -4.230 656 H THR 88 H THR 88 -6.777 8.945 -4.017 657 HA THR 88 HA THR 88 -7.303 7.255 -1.687 658 HB THR 88 HB THR 88 -9.534 8.285 -3.448 659 HG1 THR 88 1HG THR 88 -9.354 9.979 -2.179 660 HG21 THR 88 3HG2 THR 88 -9.936 6.060 -2.522 661 HG22 THR 88 1HG2 THR 88 -10.988 7.252 -1.761 662 HG23 THR 88 2HG2 THR 88 -9.567 6.656 -0.904 663 H ALA 89 H ALA 89 -7.806 5.118 -2.169 664 HA ALA 89 HA ALA 89 -8.104 4.301 -4.938 665 HB1 ALA 89 3HB ALA 89 -5.960 3.824 -5.270 666 HB2 ALA 89 1HB ALA 89 -5.561 4.193 -3.592 667 HB3 ALA 89 2HB ALA 89 -6.105 2.575 -4.034 668 H SER 90 H SER 90 -8.032 1.728 -4.937 669 HA SER 90 HA SER 90 -9.298 0.677 -2.518 670 HB2 SER 90 1HB SER 90 -11.219 -0.156 -3.652 671 HB3 SER 90 2HB SER 90 -11.062 1.530 -4.145 672 HG SER 90 HG SER 90 -9.712 0.379 -5.933 673 H LEU 91 H LEU 91 -8.338 -1.161 -1.992 674 HA LEU 91 HA LEU 91 -6.701 -2.566 -3.919 675 HB2 LEU 91 1HB LEU 91 -5.655 -2.435 -1.862 676 HB3 LEU 91 2HB LEU 91 -7.146 -2.737 -0.972 677 HG LEU 91 HG LEU 91 -7.030 -5.114 -1.796 678 HD11 LEU 91 1HD1 LEU 91 -4.313 -4.179 -2.696 679 HD12 LEU 91 2HD1 LEU 91 -5.589 -4.895 -3.680 680 HD13 LEU 91 3HD1 LEU 91 -4.748 -5.874 -2.478 681 HD21 LEU 91 3HD2 LEU 91 -6.235 -5.464 0.244 682 HD22 LEU 91 1HD2 LEU 91 -5.635 -3.807 0.300 683 HD23 LEU 91 2HD2 LEU 91 -4.604 -5.097 -0.319 684 H HIS 92 H HIS 92 -7.083 -4.539 -4.796 685 HA HIS 92 HA HIS 92 -9.657 -5.815 -4.135 686 HB2 HIS 92 1HB HIS 92 -8.276 -5.800 -6.826 687 HB3 HIS 92 2HB HIS 92 -9.844 -6.512 -6.459 688 HD1 HIS 92 1HD HIS 92 -11.569 -4.538 -5.376 689 HD2 HIS 92 2HD HIS 92 -8.545 -3.383 -7.980 690 HE1 HIS 92 1HE HIS 92 -12.266 -2.290 -6.260 691 HE2 HIS 92 2HE HIS 92 -10.463 -1.650 -7.898 692 H VAL 93 H VAL 93 -9.642 -7.928 -3.634 693 HA VAL 93 HA VAL 93 -7.281 -9.538 -4.273 694 HB VAL 93 HB VAL 93 -6.666 -8.946 -2.104 695 HG11 VAL 93 1HG1 VAL 93 -8.165 -8.781 -0.213 696 HG12 VAL 93 2HG1 VAL 93 -8.775 -7.792 -1.541 697 HG13 VAL 93 3HG1 VAL 93 -9.512 -9.356 -1.195 698 HG21 VAL 93 3HG2 VAL 93 -6.587 -11.343 -2.370 699 HG22 VAL 93 1HG2 VAL 93 -7.064 -10.958 -0.716 700 HG23 VAL 93 2HG2 VAL 93 -8.276 -11.488 -1.883 701 H GLU 94 H GLU 94 -7.733 -11.619 -4.764 702 HA GLU 94 HA GLU 94 -10.220 -12.846 -3.935 703 HB2 GLU 94 1HB GLU 94 -9.644 -12.171 -6.816 704 HB3 GLU 94 2HB GLU 94 -10.772 -13.437 -6.352 705 HG2 GLU 94 1HG GLU 94 -11.874 -11.574 -4.923 706 HG3 GLU 94 2HG GLU 94 -10.992 -10.484 -5.990 707 H GLU 95 H GLU 95 -10.090 -15.038 -3.852 708 HA GLU 95 HA GLU 95 -7.481 -16.203 -4.301 709 HB2 GLU 95 1HB GLU 95 -8.976 -16.640 -2.277 710 HB3 GLU 95 2HB GLU 95 -9.949 -17.643 -3.344 711 HG2 GLU 95 1HG GLU 95 -7.809 -18.911 -3.853 712 HG3 GLU 95 2HG GLU 95 -7.108 -18.058 -2.479 713 H LYS 96 H LYS 96 -7.050 -18.003 -5.615 714 HA LYS 96 HA LYS 96 -8.646 -18.088 -8.031 715 HB2 LYS 96 1HB LYS 96 -6.089 -19.536 -7.315 716 HB3 LYS 96 2HB LYS 96 -6.833 -19.505 -8.909 717 HG2 LYS 96 1HG LYS 96 -6.051 -16.964 -7.536 718 HG3 LYS 96 2HG LYS 96 -4.864 -17.924 -8.423 719 HD2 LYS 96 1HD LYS 96 -6.167 -17.741 -10.447 720 HD3 LYS 96 2HD LYS 96 -7.461 -16.911 -9.580 721 HE2 LYS 96 1HE LYS 96 -4.665 -15.821 -9.666 722 HE3 LYS 96 2HE LYS 96 -5.824 -15.491 -10.952 723 HZ1 LYS 96 3HZ LYS 96 -6.463 -14.958 -8.115 724 HZ2 LYS 96 1HZ LYS 96 -7.214 -14.337 -9.499 725 HZ3 LYS 96 2HZ LYS 96 -5.662 -13.816 -9.074 726 H ALA 97 H ALA 97 -8.575 -20.521 -9.013 727 HA ALA 97 HA ALA 97 -9.304 -22.528 -7.071 728 HB1 ALA 97 3HB ALA 97 -11.547 -22.639 -7.374 729 HB2 ALA 97 1HB ALA 97 -11.339 -20.918 -7.697 730 HB3 ALA 97 2HB ALA 97 -11.465 -22.058 -9.037 731 H SER 98 H SER 98 -9.610 -24.628 -8.015 732 HA SER 98 HA SER 98 -8.026 -24.971 -10.411 733 HB2 SER 98 1HB SER 98 -8.362 -27.426 -9.910 734 HB3 SER 98 2HB SER 98 -7.571 -26.507 -8.629 735 HG SER 98 HG SER 98 -9.094 -27.321 -7.429 736 H GLY 99 H GLY 99 -8.942 -24.801 -12.344 737 HA2 GLY 99 1HA GLY 99 -11.756 -25.048 -12.759 738 HA3 GLY 99 2HA GLY 99 -10.536 -24.841 -14.007 739 HA PRO 100 HA PRO 100 -12.363 -29.173 -14.124 740 HB2 PRO 100 1HB PRO 100 -13.372 -29.005 -16.639 741 HB3 PRO 100 2HB PRO 100 -14.290 -28.539 -15.202 742 HG2 PRO 100 1HG PRO 100 -12.797 -26.811 -17.137 743 HG3 PRO 100 2HG PRO 100 -14.393 -26.554 -16.409 744 HD2 PRO 100 1HD PRO 100 -12.162 -25.318 -15.501 745 HD3 PRO 100 2HD PRO 100 -13.505 -25.771 -14.432 746 H SER 101 H SER 101 -10.042 -27.302 -15.659 747 HA SER 101 HA SER 101 -9.103 -28.493 -17.856 748 HB2 SER 101 1HB SER 101 -6.836 -27.962 -17.163 749 HB3 SER 101 2HB SER 101 -7.923 -26.693 -16.599 750 HG SER 101 HG SER 101 -7.437 -28.831 -14.879 751 H SER 102 H SER 102 -8.596 -30.468 -18.521 752 HA SER 102 HA SER 102 -8.330 -32.737 -18.485 753 HB2 SER 102 1HB SER 102 -6.057 -31.677 -17.692 754 HB3 SER 102 2HB SER 102 -6.475 -32.427 -16.152 755 HG SER 102 HG SER 102 -5.780 -34.217 -16.977 756 H GLY 103 H GLY 103 -10.539 -31.831 -16.961 757 HA2 GLY 103 1HA GLY 103 -11.521 -34.019 -15.754 758 HA3 GLY 103 2HA GLY 103 -10.543 -33.321 -14.472 Start of MODEL 7 1 H1 GLY 1 H GLY 1 22.841 22.882 -2.815 2 HA2 GLY 1 1HA GLY 1 24.635 20.714 -3.680 3 HA3 GLY 1 2HA GLY 1 23.546 20.451 -2.325 4 H SER 2 H SER 2 21.557 19.716 -2.735 5 HA SER 2 HA SER 2 20.775 19.431 -5.540 6 HB2 SER 2 1HB SER 2 19.156 17.766 -4.703 7 HB3 SER 2 2HB SER 2 20.799 17.387 -4.186 8 HG SER 2 HG SER 2 18.661 18.435 -2.674 9 H SER 3 H SER 3 18.980 20.337 -6.398 10 HA SER 3 HA SER 3 16.841 21.397 -4.847 11 HB2 SER 3 1HB SER 3 18.792 23.095 -4.603 12 HB3 SER 3 2HB SER 3 18.416 23.527 -6.271 13 HG SER 3 HG SER 3 16.133 23.633 -5.299 14 H GLY 4 H GLY 4 15.096 21.188 -6.078 15 HA2 GLY 4 1HA GLY 4 15.422 21.441 -9.005 16 HA3 GLY 4 2HA GLY 4 14.384 20.232 -8.264 17 H SER 5 H SER 5 12.296 20.705 -8.123 18 HA SER 5 HA SER 5 11.398 23.362 -8.832 19 HB2 SER 5 1HB SER 5 10.383 21.054 -9.552 20 HB3 SER 5 2HB SER 5 9.542 21.154 -8.005 21 HG SER 5 HG SER 5 8.255 22.576 -8.845 22 H SER 6 H SER 6 10.521 24.851 -7.509 23 HA SER 6 HA SER 6 10.547 24.260 -4.640 24 HB2 SER 6 1HB SER 6 10.657 26.646 -4.288 25 HB3 SER 6 2HB SER 6 11.849 26.216 -5.514 26 HG SER 6 HG SER 6 9.877 27.963 -5.711 27 H GLY 7 H GLY 7 8.735 24.122 -3.474 28 HA2 GLY 7 1HA GLY 7 6.451 25.534 -3.510 29 HA3 GLY 7 2HA GLY 7 6.187 24.406 -4.832 30 HA PRO 8 HA PRO 8 4.681 22.457 -0.895 31 HB2 PRO 8 1HB PRO 8 2.295 21.663 -1.919 32 HB3 PRO 8 2HB PRO 8 2.552 23.262 -1.209 33 HG2 PRO 8 1HG PRO 8 2.529 22.450 -4.091 34 HG3 PRO 8 2HG PRO 8 1.800 23.873 -3.323 35 HD2 PRO 8 1HD PRO 8 4.151 23.984 -4.662 36 HD3 PRO 8 2HD PRO 8 3.798 25.021 -3.265 37 H ALA 9 H ALA 9 4.341 20.223 -0.472 38 HA ALA 9 HA ALA 9 5.591 18.491 -2.432 39 HB1 ALA 9 3HB ALA 9 5.936 16.977 -0.711 40 HB2 ALA 9 1HB ALA 9 6.021 18.531 0.117 41 HB3 ALA 9 2HB ALA 9 4.553 17.558 0.215 42 H ALA 10 H ALA 10 2.823 19.575 -2.805 43 HA ALA 10 HA ALA 10 0.760 17.863 -2.403 44 HB1 ALA 10 3HB ALA 10 0.129 18.554 -4.885 45 HB2 ALA 10 1HB ALA 10 0.076 19.705 -3.550 46 HB3 ALA 10 2HB ALA 10 1.463 19.682 -4.640 47 H ILE 11 H ILE 11 -0.254 16.220 -3.749 48 HA ILE 11 HA ILE 11 1.746 14.370 -4.812 49 HB ILE 11 HB ILE 11 -1.171 13.867 -4.214 50 HG12 ILE 11 1HG1 ILE 11 1.143 12.869 -2.576 51 HG13 ILE 11 2HG1 ILE 11 0.454 14.461 -2.275 52 HG21 ILE 11 1HG2 ILE 11 -0.813 12.049 -5.461 53 HG22 ILE 11 2HG2 ILE 11 0.933 12.292 -5.469 54 HG23 ILE 11 3HG2 ILE 11 0.164 11.469 -4.112 55 HD11 ILE 11 3HD1 ILE 11 -1.383 12.134 -2.398 56 HD12 ILE 11 1HD1 ILE 11 -0.364 12.332 -0.973 57 HD13 ILE 11 2HD1 ILE 11 -1.485 13.610 -1.440 58 H ILE 12 H ILE 12 2.074 14.267 -6.924 59 HA ILE 12 HA ILE 12 0.066 15.329 -8.756 60 HB ILE 12 HB ILE 12 1.990 14.754 -10.447 61 HG12 ILE 12 1HG1 ILE 12 3.196 13.597 -8.411 62 HG13 ILE 12 2HG1 ILE 12 4.126 14.489 -9.610 63 HG21 ILE 12 1HG2 ILE 12 1.803 17.026 -8.515 64 HG22 ILE 12 2HG2 ILE 12 3.111 16.975 -9.696 65 HG23 ILE 12 3HG2 ILE 12 1.433 16.987 -10.239 66 HD11 ILE 12 3HD1 ILE 12 3.182 16.112 -7.369 67 HD12 ILE 12 1HD1 ILE 12 4.307 14.828 -6.926 68 HD13 ILE 12 2HD1 ILE 12 4.771 16.031 -8.130 69 H LYS 13 H LYS 13 1.763 12.329 -8.023 70 HA LYS 13 HA LYS 13 0.132 10.931 -10.028 71 HB2 LYS 13 1HB LYS 13 2.609 10.008 -8.559 72 HB3 LYS 13 2HB LYS 13 1.735 9.074 -9.766 73 HG2 LYS 13 1HG LYS 13 2.209 10.935 -11.391 74 HG3 LYS 13 2HG LYS 13 3.290 11.614 -10.172 75 HD2 LYS 13 1HD LYS 13 4.634 9.600 -10.194 76 HD3 LYS 13 2HD LYS 13 3.513 8.832 -11.321 77 HE2 LYS 13 1HE LYS 13 4.807 11.428 -12.041 78 HE3 LYS 13 2HE LYS 13 5.714 9.925 -12.199 79 HZ1 LYS 13 3HZ LYS 13 3.040 9.929 -13.336 80 HZ2 LYS 13 1HZ LYS 13 4.470 9.251 -13.932 81 HZ3 LYS 13 2HZ LYS 13 4.176 10.906 -14.122 82 HA PRO 14 HA PRO 14 -2.119 9.792 -6.238 83 HB2 PRO 14 1HB PRO 14 -4.431 9.221 -7.540 84 HB3 PRO 14 2HB PRO 14 -3.966 10.864 -7.085 85 HG2 PRO 14 1HG PRO 14 -3.713 9.488 -9.731 86 HG3 PRO 14 2HG PRO 14 -4.245 11.142 -9.377 87 HD2 PRO 14 1HD PRO 14 -1.745 10.570 -10.244 88 HD3 PRO 14 2HD PRO 14 -2.088 11.920 -9.143 89 H LEU 15 H LEU 15 -2.937 7.786 -5.491 90 HA LEU 15 HA LEU 15 -1.644 5.508 -6.556 91 HB2 LEU 15 1HB LEU 15 -3.968 5.449 -4.654 92 HB3 LEU 15 2HB LEU 15 -2.654 4.284 -4.805 93 HG LEU 15 HG LEU 15 -2.051 7.087 -3.960 94 HD11 LEU 15 1HD1 LEU 15 -2.267 6.114 -1.578 95 HD12 LEU 15 2HD1 LEU 15 -3.372 4.959 -2.323 96 HD13 LEU 15 3HD1 LEU 15 -3.718 6.687 -2.401 97 HD21 LEU 15 3HD2 LEU 15 -0.428 5.594 -2.535 98 HD22 LEU 15 1HD2 LEU 15 -0.084 5.941 -4.230 99 HD23 LEU 15 2HD2 LEU 15 -0.794 4.392 -3.774 100 H GLU 16 H GLU 16 -3.155 3.400 -6.706 101 HA GLU 16 HA GLU 16 -5.508 3.942 -8.343 102 HB2 GLU 16 1HB GLU 16 -3.186 2.268 -9.317 103 HB3 GLU 16 2HB GLU 16 -4.734 2.439 -10.134 104 HG2 GLU 16 1HG GLU 16 -4.248 4.926 -10.217 105 HG3 GLU 16 2HG GLU 16 -2.603 4.512 -9.737 106 H ASP 17 H ASP 17 -6.348 1.624 -9.131 107 HA ASP 17 HA ASP 17 -6.813 0.161 -6.676 108 HB2 ASP 17 1HB ASP 17 -7.960 -0.055 -9.459 109 HB3 ASP 17 2HB ASP 17 -8.375 -1.182 -8.170 110 H GLN 18 H GLN 18 -5.879 -1.693 -6.102 111 HA GLN 18 HA GLN 18 -4.129 -3.014 -8.061 112 HB2 GLN 18 1HB GLN 18 -3.987 -2.607 -5.117 113 HB3 GLN 18 2HB GLN 18 -3.313 -4.098 -5.762 114 HG2 GLN 18 1HG GLN 18 -1.539 -2.551 -5.628 115 HG3 GLN 18 2HG GLN 18 -1.960 -2.689 -7.335 116 HE21 GLN 18 1HE2 GLN 18 -0.719 -0.624 -7.324 117 HE22 GLN 18 2HE2 GLN 18 -1.604 0.835 -7.057 118 H TRP 19 H TRP 19 -4.325 -5.159 -8.508 119 HA TRP 19 HA TRP 19 -6.508 -6.606 -7.158 120 HB2 TRP 19 1HB TRP 19 -5.879 -6.330 -10.072 121 HB3 TRP 19 2HB TRP 19 -6.627 -7.815 -9.492 122 HD1 TRP 19 HD TRP 19 -9.123 -7.600 -8.454 123 HE1 TRP 19 1HE TRP 19 -10.974 -5.861 -8.871 124 HE3 TRP 19 3HE TRP 19 -6.297 -3.899 -10.565 125 HZ2 TRP 19 2HZ TRP 19 -11.205 -3.264 -9.952 126 HZ3 TRP 19 3HZ TRP 19 -7.410 -1.819 -11.263 127 HH2 TRP 19 HH TRP 19 -9.814 -1.510 -10.963 128 H VAL 20 H VAL 20 -5.502 -8.032 -5.879 129 HA VAL 20 HA VAL 20 -3.519 -9.814 -7.124 130 HB VAL 20 HB VAL 20 -2.229 -9.892 -5.060 131 HG11 VAL 20 1HG1 VAL 20 -2.301 -6.987 -5.359 132 HG12 VAL 20 2HG1 VAL 20 -0.990 -8.128 -5.665 133 HG13 VAL 20 3HG1 VAL 20 -2.230 -7.857 -6.891 134 HG21 VAL 20 3HG2 VAL 20 -4.497 -8.960 -3.841 135 HG22 VAL 20 1HG2 VAL 20 -2.902 -9.056 -3.094 136 HG23 VAL 20 2HG2 VAL 20 -3.448 -7.543 -3.818 137 H ALA 21 H ALA 21 -3.088 -11.635 -5.252 138 HA ALA 21 HA ALA 21 -5.752 -12.782 -4.785 139 HB1 ALA 21 3HB ALA 21 -4.252 -14.904 -4.427 140 HB2 ALA 21 1HB ALA 21 -4.642 -14.338 -6.052 141 HB3 ALA 21 2HB ALA 21 -3.073 -13.962 -5.340 142 HA PRO 22 HA PRO 22 -5.385 -12.646 -0.414 143 HB2 PRO 22 1HB PRO 22 -6.498 -15.009 0.326 144 HB3 PRO 22 2HB PRO 22 -7.445 -13.659 -0.312 145 HG2 PRO 22 1HG PRO 22 -6.455 -16.109 -1.718 146 HG3 PRO 22 2HG PRO 22 -8.040 -15.322 -1.824 147 HD2 PRO 22 1HD PRO 22 -6.117 -14.984 -3.700 148 HD3 PRO 22 2HD PRO 22 -7.281 -13.710 -3.286 149 H GLY 23 H GLY 23 -3.043 -12.737 -0.381 150 HA2 GLY 23 1HA GLY 23 -1.814 -14.284 1.374 151 HA3 GLY 23 2HA GLY 23 -1.844 -15.374 -0.004 152 H GLU 24 H GLU 24 -1.649 -12.653 -1.586 153 HA GLU 24 HA GLU 24 1.268 -12.736 -1.698 154 HB2 GLU 24 1HB GLU 24 -0.520 -11.160 -3.535 155 HB3 GLU 24 2HB GLU 24 1.108 -11.751 -3.836 156 HG2 GLU 24 1HG GLU 24 -0.023 -14.094 -3.525 157 HG3 GLU 24 2HG GLU 24 -1.486 -13.201 -3.935 158 H ASP 25 H ASP 25 2.329 -10.548 -2.195 159 HA ASP 25 HA ASP 25 1.479 -8.684 -0.106 160 HB2 ASP 25 1HB ASP 25 3.707 -9.031 0.288 161 HB3 ASP 25 2HB ASP 25 4.066 -9.349 -1.407 162 H VAL 26 H VAL 26 1.310 -6.442 -0.482 163 HA VAL 26 HA VAL 26 0.993 -5.683 -3.312 164 HB VAL 26 HB VAL 26 -0.762 -4.863 -0.994 165 HG11 VAL 26 1HG1 VAL 26 -1.235 -3.018 -2.134 166 HG12 VAL 26 2HG1 VAL 26 -0.178 -3.517 -3.456 167 HG13 VAL 26 3HG1 VAL 26 -1.867 -4.024 -3.437 168 HG21 VAL 26 3HG2 VAL 26 -1.295 -7.077 -1.788 169 HG22 VAL 26 1HG2 VAL 26 -2.542 -5.953 -2.331 170 HG23 VAL 26 2HG2 VAL 26 -1.308 -6.515 -3.459 171 H GLU 27 H GLU 27 1.712 -3.676 -3.915 172 HA GLU 27 HA GLU 27 2.930 -2.005 -1.821 173 HB2 GLU 27 1HB GLU 27 4.144 -2.581 -4.529 174 HB3 GLU 27 2HB GLU 27 4.831 -1.554 -3.279 175 HG2 GLU 27 1HG GLU 27 5.242 -3.405 -1.859 176 HG3 GLU 27 2HG GLU 27 4.289 -4.481 -2.879 177 H LEU 28 H LEU 28 2.317 0.056 -1.882 178 HA LEU 28 HA LEU 28 1.096 1.071 -4.364 179 HB2 LEU 28 1HB LEU 28 0.454 1.929 -1.549 180 HB3 LEU 28 2HB LEU 28 -0.359 2.444 -3.026 181 HG LEU 28 HG LEU 28 -0.370 -0.452 -2.314 182 HD11 LEU 28 1HD1 LEU 28 -1.161 0.126 -0.270 183 HD12 LEU 28 2HD1 LEU 28 -2.662 0.292 -1.180 184 HD13 LEU 28 3HD1 LEU 28 -1.698 1.719 -0.802 185 HD21 LEU 28 3HD2 LEU 28 -2.056 -0.571 -3.800 186 HD22 LEU 28 1HD2 LEU 28 -1.389 0.952 -4.388 187 HD23 LEU 28 2HD2 LEU 28 -2.763 0.961 -3.282 188 H ARG 29 H ARG 29 2.617 2.296 -5.302 189 HA ARG 29 HA ARG 29 4.229 4.092 -3.637 190 HB2 ARG 29 1HB ARG 29 4.568 3.443 -6.569 191 HB3 ARG 29 2HB ARG 29 5.706 4.301 -5.539 192 HG2 ARG 29 1HG ARG 29 6.318 2.368 -4.395 193 HG3 ARG 29 2HG ARG 29 4.880 1.491 -4.921 194 HD2 ARG 29 1HD ARG 29 7.019 2.432 -6.817 195 HD3 ARG 29 2HD ARG 29 7.048 0.846 -6.047 196 HE ARG 29 HE ARG 29 4.595 1.429 -7.433 197 HH11 ARG 29 2HH1 ARG 29 7.825 0.162 -7.719 198 HH12 ARG 29 1HH1 ARG 29 7.463 -0.802 -9.112 199 HH21 ARG 29 2HH2 ARG 29 4.107 0.164 -9.267 200 HH22 ARG 29 1HH2 ARG 29 5.348 -0.800 -9.993 201 H CYS 30 H CYS 30 4.401 6.308 -4.100 202 HA CYS 30 HA CYS 30 2.402 7.408 -5.948 203 HB2 CYS 30 1HB CYS 30 1.469 8.840 -4.377 204 HB3 CYS 30 2HB CYS 30 1.734 7.384 -3.426 205 HG CYS 30 HG CYS 30 4.305 9.527 -3.368 206 H GLU 31 H GLU 31 2.785 10.024 -5.756 207 HA GLU 31 HA GLU 31 5.670 10.519 -5.933 208 HB2 GLU 31 1HB GLU 31 4.577 10.020 -8.209 209 HB3 GLU 31 2HB GLU 31 3.786 11.579 -8.026 210 HG2 GLU 31 1HG GLU 31 5.607 12.223 -9.211 211 HG3 GLU 31 2HG GLU 31 6.255 12.390 -7.580 212 H LEU 32 H LEU 32 6.294 12.436 -5.118 213 HA LEU 32 HA LEU 32 4.185 14.378 -4.434 214 HB2 LEU 32 1HB LEU 32 6.709 14.067 -2.852 215 HB3 LEU 32 2HB LEU 32 5.192 14.828 -2.377 216 HG LEU 32 HG LEU 32 5.326 11.875 -2.870 217 HD11 LEU 32 1HD1 LEU 32 7.048 12.043 -1.314 218 HD12 LEU 32 2HD1 LEU 32 5.620 11.756 -0.320 219 HD13 LEU 32 3HD1 LEU 32 6.281 13.385 -0.464 220 HD21 LEU 32 3HD2 LEU 32 3.138 12.954 -2.641 221 HD22 LEU 32 1HD2 LEU 32 3.623 13.599 -1.072 222 HD23 LEU 32 2HD2 LEU 32 3.467 11.856 -1.299 223 H SER 33 H SER 33 4.494 16.439 -5.038 224 HA SER 33 HA SER 33 6.242 17.202 -6.994 225 HB2 SER 33 1HB SER 33 4.391 18.623 -6.483 226 HB3 SER 33 2HB SER 33 4.949 18.865 -4.828 227 HG SER 33 HG SER 33 5.683 20.636 -5.792 228 H ARG 34 H ARG 34 6.770 17.233 -3.518 229 HA ARG 34 HA ARG 34 9.627 17.651 -4.013 230 HB2 ARG 34 1HB ARG 34 9.851 19.468 -2.652 231 HB3 ARG 34 2HB ARG 34 8.204 19.753 -3.198 232 HG2 ARG 34 1HG ARG 34 7.624 18.298 -1.073 233 HG3 ARG 34 2HG ARG 34 9.204 18.882 -0.545 234 HD2 ARG 34 1HD ARG 34 8.353 21.207 -1.188 235 HD3 ARG 34 2HD ARG 34 6.752 20.470 -1.242 236 HE ARG 34 HE ARG 34 7.693 19.746 1.191 237 HH11 ARG 34 2HH1 ARG 34 7.394 22.797 -0.458 238 HH12 ARG 34 1HH1 ARG 34 7.175 23.711 0.998 239 HH21 ARG 34 2HH2 ARG 34 7.405 20.937 3.115 240 HH22 ARG 34 1HH2 ARG 34 7.182 22.652 3.030 241 H ALA 35 H ALA 35 10.999 16.672 -2.524 242 HA ALA 35 HA ALA 35 9.789 14.509 -1.016 243 HB1 ALA 35 3HB ALA 35 12.726 14.976 -1.010 244 HB2 ALA 35 1HB ALA 35 11.820 13.465 -1.088 245 HB3 ALA 35 2HB ALA 35 11.956 14.487 -2.519 246 H GLY 36 H GLY 36 9.220 17.061 0.035 247 HA2 GLY 36 1HA GLY 36 10.635 16.866 2.617 248 HA3 GLY 36 2HA GLY 36 10.364 18.427 1.857 249 H THR 37 H THR 37 8.351 15.548 2.474 250 HA THR 37 HA THR 37 6.680 16.903 4.342 251 HB THR 37 HB THR 37 5.585 16.486 1.555 252 HG1 THR 37 1HG THR 37 5.020 18.825 2.102 253 HG21 THR 37 3HG2 THR 37 3.492 16.449 2.351 254 HG22 THR 37 1HG2 THR 37 3.822 17.737 3.510 255 HG23 THR 37 2HG2 THR 37 4.214 16.065 3.913 256 HA PRO 38 HA PRO 38 6.080 12.622 5.293 257 HB2 PRO 38 1HB PRO 38 4.242 12.964 7.261 258 HB3 PRO 38 2HB PRO 38 5.964 13.294 7.487 259 HG2 PRO 38 1HG PRO 38 3.728 15.202 6.921 260 HG3 PRO 38 2HG PRO 38 5.076 15.365 8.062 261 HD2 PRO 38 1HD PRO 38 5.063 16.577 5.640 262 HD3 PRO 38 2HD PRO 38 6.556 16.010 6.416 263 H VAL 39 H VAL 39 4.284 11.050 5.449 264 HA VAL 39 HA VAL 39 1.952 11.872 3.843 265 HB VAL 39 HB VAL 39 3.730 10.347 2.720 266 HG11 VAL 39 1HG1 VAL 39 2.217 8.253 4.269 267 HG12 VAL 39 2HG1 VAL 39 3.550 8.004 3.141 268 HG13 VAL 39 3HG1 VAL 39 3.839 8.802 4.687 269 HG21 VAL 39 3HG2 VAL 39 2.060 9.368 1.358 270 HG22 VAL 39 1HG2 VAL 39 0.884 9.374 2.671 271 HG23 VAL 39 2HG2 VAL 39 1.389 10.894 1.933 272 H HIS 40 H HIS 40 -0.013 10.738 4.244 273 HA HIS 40 HA HIS 40 -0.100 9.397 6.867 274 HB2 HIS 40 1HB HIS 40 -1.177 11.801 6.466 275 HB3 HIS 40 2HB HIS 40 -2.507 10.827 5.846 276 HD1 HIS 40 1HD HIS 40 -3.844 11.826 7.933 277 HD2 HIS 40 2HD HIS 40 -0.748 9.209 8.843 278 HE1 HIS 40 1HE HIS 40 -4.235 11.124 10.316 279 HE2 HIS 40 2HE HIS 40 -2.302 9.608 10.871 280 H TRP 41 H TRP 41 -0.440 7.302 6.527 281 HA TRP 41 HA TRP 41 -2.019 6.422 4.242 282 HB2 TRP 41 1HB TRP 41 -0.379 4.909 6.282 283 HB3 TRP 41 2HB TRP 41 -1.303 4.132 5.000 284 HD1 TRP 41 HD TRP 41 1.889 6.103 5.617 285 HE1 TRP 41 1HE TRP 41 3.332 6.048 3.487 286 HE3 TRP 41 3HE TRP 41 -1.478 3.976 2.412 287 HZ2 TRP 41 2HZ TRP 41 3.077 5.214 0.802 288 HZ3 TRP 41 3HZ TRP 41 -0.800 3.584 0.079 289 HH2 TRP 41 HH TRP 41 1.431 4.191 -0.707 290 H LEU 42 H LEU 42 -4.149 6.307 4.475 291 HA LEU 42 HA LEU 42 -5.231 5.414 7.067 292 HB2 LEU 42 1HB LEU 42 -6.566 7.163 5.007 293 HB3 LEU 42 2HB LEU 42 -7.243 6.679 6.560 294 HG LEU 42 HG LEU 42 -4.678 8.186 6.560 295 HD11 LEU 42 1HD1 LEU 42 -5.695 10.290 6.278 296 HD12 LEU 42 2HD1 LEU 42 -7.317 9.599 6.303 297 HD13 LEU 42 3HD1 LEU 42 -6.255 9.306 4.925 298 HD21 LEU 42 3HD2 LEU 42 -6.586 9.131 8.410 299 HD22 LEU 42 1HD2 LEU 42 -5.140 8.173 8.729 300 HD23 LEU 42 2HD2 LEU 42 -6.680 7.370 8.424 301 H LYS 43 H LYS 43 -5.928 3.391 6.969 302 HA LYS 43 HA LYS 43 -6.985 2.364 4.429 303 HB2 LYS 43 1HB LYS 43 -5.057 1.230 5.747 304 HB3 LYS 43 2HB LYS 43 -6.332 0.665 6.819 305 HG2 LYS 43 1HG LYS 43 -6.661 0.220 3.902 306 HG3 LYS 43 2HG LYS 43 -5.492 -0.773 4.777 307 HD2 LYS 43 1HD LYS 43 -7.527 -1.013 6.462 308 HD3 LYS 43 2HD LYS 43 -8.455 -0.672 5.000 309 HE2 LYS 43 1HE LYS 43 -8.302 -2.992 5.007 310 HE3 LYS 43 2HE LYS 43 -7.006 -2.505 3.916 311 HZ1 LYS 43 3HZ LYS 43 -6.798 -3.490 6.693 312 HZ2 LYS 43 1HZ LYS 43 -5.539 -2.614 5.979 313 HZ3 LYS 43 2HZ LYS 43 -6.038 -4.081 5.302 314 H ASP 44 H ASP 44 -9.120 2.696 4.319 315 HA ASP 44 HA ASP 44 -11.339 2.626 4.813 316 HB2 ASP 44 1HB ASP 44 -10.466 0.184 5.359 317 HB3 ASP 44 2HB ASP 44 -10.880 0.652 7.006 318 H ARG 45 H ARG 45 -10.153 4.741 5.936 319 HA ARG 45 HA ARG 45 -10.388 6.338 7.539 320 HB2 ARG 45 1HB ARG 45 -12.685 4.658 8.553 321 HB3 ARG 45 2HB ARG 45 -12.428 6.377 8.822 322 HG2 ARG 45 1HG ARG 45 -12.647 5.416 6.021 323 HG3 ARG 45 2HG ARG 45 -14.112 5.492 7.002 324 HD2 ARG 45 1HD ARG 45 -13.772 7.832 7.426 325 HD3 ARG 45 2HD ARG 45 -12.198 7.790 6.631 326 HE ARG 45 HE ARG 45 -13.252 7.867 4.585 327 HH11 ARG 45 2HH1 ARG 45 -15.589 7.300 7.102 328 HH12 ARG 45 1HH1 ARG 45 -16.956 7.560 6.071 329 HH21 ARG 45 2HH2 ARG 45 -15.044 8.213 3.217 330 HH22 ARG 45 1HH2 ARG 45 -16.645 8.079 3.861 331 H LYS 46 H LYS 46 -8.493 4.375 8.047 332 HA LYS 46 HA LYS 46 -8.409 4.481 10.959 333 HB2 LYS 46 1HB LYS 46 -8.104 1.922 9.380 334 HB3 LYS 46 2HB LYS 46 -7.665 2.097 11.074 335 HG2 LYS 46 1HG LYS 46 -9.899 2.386 11.735 336 HG3 LYS 46 2HG LYS 46 -10.437 2.674 10.079 337 HD2 LYS 46 1HD LYS 46 -11.113 0.473 10.598 338 HD3 LYS 46 2HD LYS 46 -9.685 0.304 9.574 339 HE2 LYS 46 1HE LYS 46 -8.345 0.135 11.721 340 HE3 LYS 46 2HE LYS 46 -9.888 -0.031 12.557 341 HZ1 LYS 46 3HZ LYS 46 -8.774 -1.842 10.487 342 HZ2 LYS 46 1HZ LYS 46 -10.352 -1.955 11.086 343 HZ3 LYS 46 2HZ LYS 46 -9.036 -2.195 12.120 344 H ALA 47 H ALA 47 -6.568 5.491 11.386 345 HA ALA 47 HA ALA 47 -4.457 5.910 9.644 346 HB1 ALA 47 3HB ALA 47 -4.832 7.226 11.676 347 HB2 ALA 47 1HB ALA 47 -4.332 5.848 12.656 348 HB3 ALA 47 2HB ALA 47 -3.174 6.631 11.580 349 H ILE 48 H ILE 48 -2.708 4.783 9.031 350 HA ILE 48 HA ILE 48 -2.423 2.060 10.041 351 HB ILE 48 HB ILE 48 -0.997 3.368 7.723 352 HG12 ILE 48 1HG1 ILE 48 -3.449 1.594 7.746 353 HG13 ILE 48 2HG1 ILE 48 -3.423 3.311 7.356 354 HG21 ILE 48 1HG2 ILE 48 -1.382 0.429 8.055 355 HG22 ILE 48 2HG2 ILE 48 -0.127 1.307 7.184 356 HG23 ILE 48 3HG2 ILE 48 -0.096 1.242 8.946 357 HD11 ILE 48 3HD1 ILE 48 -3.091 2.790 5.238 358 HD12 ILE 48 1HD1 ILE 48 -1.546 2.061 5.672 359 HD13 ILE 48 2HD1 ILE 48 -3.009 1.077 5.647 360 H ARG 49 H ARG 49 -0.661 1.301 11.104 361 HA ARG 49 HA ARG 49 1.403 3.281 11.810 362 HB2 ARG 49 1HB ARG 49 0.385 0.905 13.378 363 HB3 ARG 49 2HB ARG 49 1.741 1.912 13.866 364 HG2 ARG 49 1HG ARG 49 0.118 3.867 13.780 365 HG3 ARG 49 2HG ARG 49 -1.159 2.653 13.683 366 HD2 ARG 49 1HD ARG 49 -0.685 1.814 15.809 367 HD3 ARG 49 2HD ARG 49 0.920 2.544 15.838 368 HE ARG 49 HE ARG 49 -0.995 4.584 15.688 369 HH11 ARG 49 2HH1 ARG 49 0.148 2.155 17.904 370 HH12 ARG 49 1HH1 ARG 49 -0.273 3.061 19.319 371 HH21 ARG 49 2HH2 ARG 49 -1.553 5.788 17.544 372 HH22 ARG 49 1HH2 ARG 49 -1.241 5.127 19.113 373 H LYS 50 H LYS 50 3.281 2.937 10.843 374 HA LYS 50 HA LYS 50 4.052 0.881 9.257 375 HB2 LYS 50 1HB LYS 50 5.320 2.988 9.578 376 HB3 LYS 50 2HB LYS 50 5.901 2.380 11.122 377 HG2 LYS 50 1HG LYS 50 6.936 0.469 9.889 378 HG3 LYS 50 2HG LYS 50 6.497 1.284 8.385 379 HD2 LYS 50 1HD LYS 50 8.065 2.917 8.654 380 HD3 LYS 50 2HD LYS 50 7.973 2.867 10.416 381 HE2 LYS 50 1HE LYS 50 10.014 1.902 10.140 382 HE3 LYS 50 2HE LYS 50 9.012 0.457 10.018 383 HZ1 LYS 50 3HZ LYS 50 9.982 0.127 8.064 384 HZ2 LYS 50 1HZ LYS 50 10.687 1.665 8.052 385 HZ3 LYS 50 2HZ LYS 50 9.113 1.452 7.471 386 H SER 51 H SER 51 4.128 -1.233 9.596 387 HA SER 51 HA SER 51 5.539 -2.275 11.913 388 HB2 SER 51 1HB SER 51 2.947 -2.021 12.332 389 HB3 SER 51 2HB SER 51 2.860 -3.491 11.363 390 HG SER 51 HG SER 51 3.592 -4.575 13.001 391 H GLN 52 H GLN 52 5.574 -4.775 11.762 392 HA GLN 52 HA GLN 52 6.948 -5.572 9.545 393 HB2 GLN 52 1HB GLN 52 6.361 -7.908 10.176 394 HB3 GLN 52 2HB GLN 52 6.916 -6.933 11.529 395 HG2 GLN 52 1HG GLN 52 4.722 -6.707 12.385 396 HG3 GLN 52 2HG GLN 52 4.009 -7.370 10.915 397 HE21 GLN 52 1HE2 GLN 52 3.262 -8.438 13.253 398 HE22 GLN 52 2HE2 GLN 52 3.947 -10.009 13.463 399 H LYS 53 H LYS 53 3.531 -5.192 9.866 400 HA LYS 53 HA LYS 53 2.907 -6.736 7.497 401 HB2 LYS 53 1HB LYS 53 1.192 -6.854 9.073 402 HB3 LYS 53 2HB LYS 53 1.309 -5.145 9.474 403 HG2 LYS 53 1HG LYS 53 -0.718 -5.478 8.280 404 HG3 LYS 53 2HG LYS 53 0.399 -4.626 7.212 405 HD2 LYS 53 1HD LYS 53 -0.355 -6.222 5.765 406 HD3 LYS 53 2HD LYS 53 1.001 -7.100 6.477 407 HE2 LYS 53 1HE LYS 53 -0.796 -8.611 6.524 408 HE3 LYS 53 2HE LYS 53 -0.676 -7.993 8.171 409 HZ1 LYS 53 3HZ LYS 53 -2.845 -7.591 7.945 410 HZ2 LYS 53 1HZ LYS 53 -2.809 -7.716 6.258 411 HZ3 LYS 53 2HZ LYS 53 -2.386 -6.260 7.007 412 H TYR 54 H TYR 54 2.579 -3.314 8.449 413 HA TYR 54 HA TYR 54 2.510 -2.598 5.603 414 HB2 TYR 54 1HB TYR 54 1.766 -0.961 8.036 415 HB3 TYR 54 2HB TYR 54 1.630 -0.423 6.365 416 HD1 TYR 54 2HD TYR 54 0.303 -2.294 4.858 417 HD2 TYR 54 1HD TYR 54 -0.220 -1.571 9.018 418 HE1 TYR 54 2HE TYR 54 -1.963 -3.243 4.732 419 HE2 TYR 54 1HE TYR 54 -2.486 -2.519 8.904 420 HH TYR 54 HH TYR 54 -4.205 -3.001 7.353 421 H ASP 55 H ASP 55 4.536 -2.333 4.881 422 HA ASP 55 HA ASP 55 6.497 -0.950 6.553 423 HB2 ASP 55 1HB ASP 55 6.965 -2.207 3.847 424 HB3 ASP 55 2HB ASP 55 8.170 -1.774 5.057 425 H VAL 56 H VAL 56 6.353 1.200 6.426 426 HA VAL 56 HA VAL 56 5.572 2.506 3.956 427 HB VAL 56 HB VAL 56 6.407 3.797 6.554 428 HG11 VAL 56 1HG1 VAL 56 4.633 5.475 5.416 429 HG12 VAL 56 2HG1 VAL 56 6.378 5.580 5.170 430 HG13 VAL 56 3HG1 VAL 56 5.365 4.770 3.974 431 HG21 VAL 56 3HG2 VAL 56 4.070 3.908 7.143 432 HG22 VAL 56 1HG2 VAL 56 3.617 3.118 5.632 433 HG23 VAL 56 2HG2 VAL 56 4.517 2.226 6.859 434 H VAL 57 H VAL 57 7.023 2.917 2.435 435 HA VAL 57 HA VAL 57 9.766 3.623 3.258 436 HB VAL 57 HB VAL 57 8.985 2.303 0.657 437 HG11 VAL 57 1HG1 VAL 57 11.399 1.923 0.431 438 HG12 VAL 57 2HG1 VAL 57 11.011 3.642 0.523 439 HG13 VAL 57 3HG1 VAL 57 11.673 2.810 1.930 440 HG21 VAL 57 3HG2 VAL 57 9.833 1.161 3.283 441 HG22 VAL 57 1HG2 VAL 57 8.610 0.587 2.149 442 HG23 VAL 57 2HG2 VAL 57 10.321 0.363 1.788 443 H CYS 58 H CYS 58 9.651 5.819 3.200 444 HA CYS 58 HA CYS 58 8.647 7.078 0.742 445 HB2 CYS 58 1HB CYS 58 7.595 7.890 2.783 446 HB3 CYS 58 2HB CYS 58 9.169 8.255 3.479 447 HG CYS 58 HG CYS 58 9.634 10.510 2.200 448 H GLU 59 H GLU 59 10.279 7.185 -0.688 449 HA GLU 59 HA GLU 59 12.690 8.634 0.136 450 HB2 GLU 59 1HB GLU 59 12.579 5.955 -1.220 451 HB3 GLU 59 2HB GLU 59 13.954 7.025 -1.455 452 HG2 GLU 59 1HG GLU 59 13.088 6.445 1.324 453 HG3 GLU 59 2HG GLU 59 13.930 5.183 0.426 454 H GLY 60 H GLY 60 13.581 9.956 -1.423 455 HA2 GLY 60 1HA GLY 60 13.285 11.486 -3.149 456 HA3 GLY 60 2HA GLY 60 13.438 10.013 -4.095 457 H THR 61 H THR 61 11.060 12.037 -2.412 458 HA THR 61 HA THR 61 8.786 12.235 -2.709 459 HB THR 61 HB THR 61 8.175 13.055 -4.904 460 HG1 THR 61 1HG THR 61 9.297 12.567 -6.677 461 HG21 THR 61 3HG2 THR 61 9.791 14.835 -5.158 462 HG22 THR 61 1HG2 THR 61 11.005 13.906 -4.281 463 HG23 THR 61 2HG2 THR 61 9.571 14.496 -3.441 464 H MET 62 H MET 62 9.430 9.543 -2.444 465 HA MET 62 HA MET 62 7.346 8.342 -4.113 466 HB2 MET 62 1HB MET 62 9.740 7.878 -4.970 467 HB3 MET 62 2HB MET 62 9.888 6.835 -3.562 468 HG2 MET 62 1HG MET 62 7.720 6.562 -5.627 469 HG3 MET 62 2HG MET 62 9.244 5.677 -5.672 470 HE1 MET 62 3HE MET 62 9.452 3.177 -3.702 471 HE2 MET 62 1HE MET 62 10.155 4.782 -3.503 472 HE3 MET 62 2HE MET 62 9.214 4.064 -2.196 473 H ALA 63 H ALA 63 5.864 7.907 -2.594 474 HA ALA 63 HA ALA 63 6.735 6.713 -0.058 475 HB1 ALA 63 3HB ALA 63 4.657 7.393 0.872 476 HB2 ALA 63 1HB ALA 63 5.280 8.761 -0.051 477 HB3 ALA 63 2HB ALA 63 3.991 7.759 -0.720 478 H MET 64 H MET 64 6.904 4.557 -0.302 479 HA MET 64 HA MET 64 4.766 3.127 -1.716 480 HB2 MET 64 1HB MET 64 7.210 2.780 -2.327 481 HB3 MET 64 2HB MET 64 7.390 1.977 -0.773 482 HG2 MET 64 1HG MET 64 5.779 0.298 -1.409 483 HG3 MET 64 2HG MET 64 5.466 1.135 -2.927 484 HE1 MET 64 3HE MET 64 8.511 0.272 -0.810 485 HE2 MET 64 1HE MET 64 8.036 -1.403 -1.094 486 HE3 MET 64 2HE MET 64 9.504 -0.766 -1.835 487 H LEU 65 H LEU 65 3.710 1.360 -0.765 488 HA LEU 65 HA LEU 65 4.097 1.009 2.124 489 HB2 LEU 65 1HB LEU 65 2.242 2.523 1.892 490 HB3 LEU 65 2HB LEU 65 1.479 1.468 0.704 491 HG LEU 65 HG LEU 65 1.368 -0.255 2.612 492 HD11 LEU 65 1HD1 LEU 65 1.898 2.274 4.158 493 HD12 LEU 65 2HD1 LEU 65 2.827 0.775 4.197 494 HD13 LEU 65 3HD1 LEU 65 1.192 0.816 4.855 495 HD21 LEU 65 3HD2 LEU 65 -0.336 1.879 1.808 496 HD22 LEU 65 1HD2 LEU 65 -0.509 1.642 3.547 497 HD23 LEU 65 2HD2 LEU 65 -0.774 0.292 2.443 498 H VAL 66 H VAL 66 4.847 -1.025 2.176 499 HA VAL 66 HA VAL 66 3.865 -3.065 0.393 500 HB VAL 66 HB VAL 66 5.667 -3.410 2.791 501 HG11 VAL 66 1HG1 VAL 66 4.659 -5.474 1.930 502 HG12 VAL 66 2HG1 VAL 66 5.296 -5.109 0.326 503 HG13 VAL 66 3HG1 VAL 66 6.401 -5.434 1.662 504 HG21 VAL 66 3HG2 VAL 66 7.215 -2.263 1.681 505 HG22 VAL 66 1HG2 VAL 66 7.177 -3.513 0.437 506 HG23 VAL 66 2HG2 VAL 66 6.153 -2.085 0.285 507 H ILE 67 H ILE 67 2.430 -4.654 0.816 508 HA ILE 67 HA ILE 67 1.242 -4.717 3.513 509 HB ILE 67 HB ILE 67 -0.154 -5.200 0.879 510 HG12 ILE 67 1HG1 ILE 67 -0.894 -3.052 2.826 511 HG13 ILE 67 2HG1 ILE 67 0.476 -2.792 1.751 512 HG21 ILE 67 1HG2 ILE 67 -1.991 -4.891 2.989 513 HG22 ILE 67 2HG2 ILE 67 -1.669 -6.337 2.034 514 HG23 ILE 67 3HG2 ILE 67 -0.784 -6.056 3.533 515 HD11 ILE 67 3HD1 ILE 67 -0.869 -2.902 -0.162 516 HD12 ILE 67 1HD1 ILE 67 -2.219 -3.607 0.726 517 HD13 ILE 67 2HD1 ILE 67 -1.775 -1.921 0.990 518 H ARG 68 H ARG 68 2.882 -6.370 3.949 519 HA ARG 68 HA ARG 68 3.183 -8.768 2.613 520 HB2 ARG 68 1HB ARG 68 3.434 -8.029 5.515 521 HB3 ARG 68 2HB ARG 68 3.703 -9.683 4.980 522 HG2 ARG 68 1HG ARG 68 5.162 -7.357 3.770 523 HG3 ARG 68 2HG ARG 68 5.741 -8.192 5.213 524 HD2 ARG 68 1HD ARG 68 5.492 -10.335 3.804 525 HD3 ARG 68 2HD ARG 68 5.430 -9.241 2.422 526 HE ARG 68 HE ARG 68 7.736 -9.882 4.035 527 HH11 ARG 68 2HH1 ARG 68 6.305 -7.638 1.790 528 HH12 ARG 68 1HH1 ARG 68 7.825 -7.002 1.256 529 HH21 ARG 68 2HH2 ARG 68 9.743 -9.052 3.340 530 HH22 ARG 68 1HH2 ARG 68 9.780 -7.808 2.137 531 H GLY 69 H GLY 69 2.060 -10.631 2.447 532 HA2 GLY 69 1HA GLY 69 0.188 -11.974 2.447 533 HA3 GLY 69 2HA GLY 69 0.279 -11.767 4.190 534 H ALA 70 H ALA 70 -1.095 -10.444 1.225 535 HA ALA 70 HA ALA 70 -2.940 -8.768 2.721 536 HB1 ALA 70 3HB ALA 70 -1.780 -8.556 0.225 537 HB2 ALA 70 1HB ALA 70 -3.454 -8.985 -0.129 538 HB3 ALA 70 2HB ALA 70 -3.097 -7.564 0.852 539 H SER 71 H SER 71 -4.458 -9.970 3.738 540 HA SER 71 HA SER 71 -5.713 -12.219 2.416 541 HB2 SER 71 1HB SER 71 -7.125 -12.142 4.613 542 HB3 SER 71 2HB SER 71 -5.437 -12.647 4.690 543 HG SER 71 HG SER 71 -6.110 -11.038 6.278 544 H LEU 72 H LEU 72 -8.068 -12.398 2.256 545 HA LEU 72 HA LEU 72 -9.278 -10.608 0.651 546 HB2 LEU 72 1HB LEU 72 -10.566 -12.264 2.811 547 HB3 LEU 72 2HB LEU 72 -11.468 -11.421 1.553 548 HG LEU 72 HG LEU 72 -9.390 -13.512 0.943 549 HD11 LEU 72 1HD1 LEU 72 -11.281 -15.067 0.636 550 HD12 LEU 72 2HD1 LEU 72 -12.358 -13.862 1.342 551 HD13 LEU 72 3HD1 LEU 72 -11.069 -14.571 2.315 552 HD21 LEU 72 3HD2 LEU 72 -10.802 -11.680 -0.639 553 HD22 LEU 72 1HD2 LEU 72 -11.568 -13.245 -0.910 554 HD23 LEU 72 2HD2 LEU 72 -9.836 -13.052 -1.183 555 H LYS 73 H LYS 73 -9.014 -10.376 4.138 556 HA LYS 73 HA LYS 73 -10.824 -8.206 4.460 557 HB2 LYS 73 1HB LYS 73 -10.274 -8.276 6.681 558 HB3 LYS 73 2HB LYS 73 -9.742 -9.883 6.204 559 HG2 LYS 73 1HG LYS 73 -7.457 -9.126 6.047 560 HG3 LYS 73 2HG LYS 73 -7.953 -7.468 6.394 561 HD2 LYS 73 1HD LYS 73 -8.853 -8.310 8.587 562 HD3 LYS 73 2HD LYS 73 -8.070 -9.852 8.234 563 HE2 LYS 73 1HE LYS 73 -5.953 -8.983 8.472 564 HE3 LYS 73 2HE LYS 73 -6.467 -7.343 8.081 565 HZ1 LYS 73 3HZ LYS 73 -6.196 -7.132 10.308 566 HZ2 LYS 73 1HZ LYS 73 -6.541 -8.755 10.637 567 HZ3 LYS 73 2HZ LYS 73 -7.799 -7.672 10.317 568 H ASP 74 H ASP 74 -7.310 -8.420 4.071 569 HA ASP 74 HA ASP 74 -6.476 -5.882 4.529 570 HB2 ASP 74 1HB ASP 74 -5.682 -7.822 2.369 571 HB3 ASP 74 2HB ASP 74 -4.893 -6.254 2.524 572 H ALA 75 H ALA 75 -8.395 -6.989 1.819 573 HA ALA 75 HA ALA 75 -8.137 -4.839 0.080 574 HB1 ALA 75 3HB ALA 75 -9.609 -6.005 -1.104 575 HB2 ALA 75 1HB ALA 75 -9.734 -7.127 0.252 576 HB3 ALA 75 2HB ALA 75 -10.857 -5.772 0.121 577 H GLY 76 H GLY 76 -8.534 -2.748 0.351 578 HA2 GLY 76 1HA GLY 76 -10.975 -1.798 1.498 579 HA3 GLY 76 2HA GLY 76 -9.613 -1.548 2.579 580 H GLU 77 H GLU 77 -10.451 0.732 2.159 581 HA GLU 77 HA GLU 77 -9.476 1.845 -0.362 582 HB2 GLU 77 1HB GLU 77 -11.748 2.393 0.892 583 HB3 GLU 77 2HB GLU 77 -10.727 3.536 1.754 584 HG2 GLU 77 1HG GLU 77 -10.101 4.594 -0.332 585 HG3 GLU 77 2HG GLU 77 -11.049 3.415 -1.236 586 H TYR 78 H TYR 78 -7.587 2.853 -0.523 587 HA TYR 78 HA TYR 78 -6.140 3.500 1.953 588 HB2 TYR 78 1HB TYR 78 -5.193 2.829 -0.829 589 HB3 TYR 78 2HB TYR 78 -4.125 3.538 0.377 590 HD1 TYR 78 1HD TYR 78 -3.445 2.259 2.344 591 HD2 TYR 78 2HD TYR 78 -5.939 0.536 -0.642 592 HE1 TYR 78 1HE TYR 78 -2.982 0.022 3.256 593 HE2 TYR 78 2HE TYR 78 -5.484 -1.705 0.262 594 HH TYR 78 HH TYR 78 -3.011 -2.311 2.512 595 H THR 79 H THR 79 -6.511 5.565 2.478 596 HA THR 79 HA THR 79 -6.561 7.597 0.366 597 HB THR 79 HB THR 79 -7.333 7.801 3.284 598 HG1 THR 79 1HG THR 79 -9.022 7.986 1.007 599 HG21 THR 79 3HG2 THR 79 -8.379 9.984 2.437 600 HG22 THR 79 1HG2 THR 79 -7.294 9.820 1.057 601 HG23 THR 79 2HG2 THR 79 -6.633 9.961 2.686 602 H CYS 80 H CYS 80 -4.664 8.492 -0.097 603 HA CYS 80 HA CYS 80 -2.577 8.644 1.925 604 HB2 CYS 80 1HB CYS 80 -2.092 7.861 -0.404 605 HB3 CYS 80 2HB CYS 80 -2.460 9.483 -0.977 606 HG CYS 80 HG CYS 80 0.168 8.519 0.978 607 H GLU 81 H GLU 81 -3.300 10.257 3.308 608 HA GLU 81 HA GLU 81 -4.069 12.843 2.301 609 HB2 GLU 81 1HB GLU 81 -4.723 11.559 4.547 610 HB3 GLU 81 2HB GLU 81 -3.343 12.458 5.162 611 HG2 GLU 81 1HG GLU 81 -4.476 14.519 4.156 612 HG3 GLU 81 2HG GLU 81 -5.916 13.507 4.046 613 H VAL 82 H VAL 82 -2.685 14.341 1.657 614 HA VAL 82 HA VAL 82 0.036 14.334 2.790 615 HB VAL 82 HB VAL 82 -0.335 13.958 0.258 616 HG11 VAL 82 1HG1 VAL 82 -0.168 16.756 -0.342 617 HG12 VAL 82 2HG1 VAL 82 -1.312 15.553 -0.941 618 HG13 VAL 82 3HG1 VAL 82 -1.650 16.424 0.555 619 HG21 VAL 82 3HG2 VAL 82 1.750 14.909 1.717 620 HG22 VAL 82 1HG2 VAL 82 1.820 14.539 -0.006 621 HG23 VAL 82 2HG2 VAL 82 1.545 16.197 0.530 622 H GLU 83 H GLU 83 1.044 16.671 2.382 623 HA GLU 83 HA GLU 83 0.368 18.401 4.244 624 HB2 GLU 83 1HB GLU 83 0.802 20.267 2.359 625 HB3 GLU 83 2HB GLU 83 2.086 19.293 3.062 626 HG2 GLU 83 1HG GLU 83 2.377 18.057 1.177 627 HG3 GLU 83 2HG GLU 83 0.696 18.220 0.675 628 H ALA 84 H ALA 84 -0.949 19.105 1.012 629 HA ALA 84 HA ALA 84 -3.436 19.992 2.326 630 HB1 ALA 84 3HB ALA 84 -1.929 21.174 0.016 631 HB2 ALA 84 1HB ALA 84 -3.640 21.514 0.278 632 HB3 ALA 84 2HB ALA 84 -2.455 21.950 1.509 633 H SER 85 H SER 85 -1.996 18.328 -0.407 634 HA SER 85 HA SER 85 -4.531 17.758 -1.655 635 HB2 SER 85 1HB SER 85 -1.673 17.068 -2.217 636 HB3 SER 85 2HB SER 85 -2.947 16.116 -2.981 637 HG SER 85 HG SER 85 -3.596 17.843 -4.099 638 H LYS 86 H LYS 86 -4.537 15.206 -2.386 639 HA LYS 86 HA LYS 86 -3.876 13.294 -0.435 640 HB2 LYS 86 1HB LYS 86 -5.464 14.224 1.038 641 HB3 LYS 86 2HB LYS 86 -6.629 14.495 -0.251 642 HG2 LYS 86 1HG LYS 86 -6.714 11.952 -0.469 643 HG3 LYS 86 2HG LYS 86 -5.889 11.919 1.091 644 HD2 LYS 86 1HD LYS 86 -8.051 11.863 1.818 645 HD3 LYS 86 2HD LYS 86 -7.830 13.612 1.728 646 HE2 LYS 86 1HE LYS 86 -8.653 13.217 -0.756 647 HE3 LYS 86 2HE LYS 86 -9.395 11.793 -0.029 648 HZ1 LYS 86 3HZ LYS 86 -9.773 14.313 1.377 649 HZ2 LYS 86 1HZ LYS 86 -10.854 13.034 1.134 650 HZ3 LYS 86 2HZ LYS 86 -10.579 14.155 -0.102 651 H SER 87 H SER 87 -4.479 11.188 -1.035 652 HA SER 87 HA SER 87 -5.824 10.982 -3.650 653 HB2 SER 87 1HB SER 87 -3.362 10.621 -3.808 654 HB3 SER 87 2HB SER 87 -3.520 9.269 -2.687 655 HG SER 87 HG SER 87 -4.872 9.463 -5.175 656 H THR 88 H THR 88 -6.766 8.834 -4.084 657 HA THR 88 HA THR 88 -7.414 7.259 -1.712 658 HB THR 88 HB THR 88 -9.577 8.355 -3.518 659 HG1 THR 88 1HG THR 88 -8.510 9.230 -1.077 660 HG21 THR 88 3HG2 THR 88 -9.913 6.084 -2.449 661 HG22 THR 88 1HG2 THR 88 -11.129 7.301 -2.065 662 HG23 THR 88 2HG2 THR 88 -9.873 6.910 -0.891 663 H ALA 89 H ALA 89 -7.456 5.140 -2.138 664 HA ALA 89 HA ALA 89 -7.889 4.262 -4.910 665 HB1 ALA 89 3HB ALA 89 -5.616 3.496 -3.100 666 HB2 ALA 89 1HB ALA 89 -6.095 2.518 -4.487 667 HB3 ALA 89 2HB ALA 89 -5.543 4.177 -4.725 668 H SER 90 H SER 90 -7.885 1.660 -4.798 669 HA SER 90 HA SER 90 -9.314 0.706 -2.451 670 HB2 SER 90 1HB SER 90 -10.549 0.794 -5.210 671 HB3 SER 90 2HB SER 90 -11.172 -0.201 -3.893 672 HG SER 90 HG SER 90 -10.750 2.543 -3.475 673 H LEU 91 H LEU 91 -8.088 -1.000 -1.968 674 HA LEU 91 HA LEU 91 -6.722 -2.555 -3.935 675 HB2 LEU 91 1HB LEU 91 -5.683 -2.357 -1.826 676 HB3 LEU 91 2HB LEU 91 -7.144 -2.855 -0.976 677 HG LEU 91 HG LEU 91 -6.853 -5.137 -1.816 678 HD11 LEU 91 1HD1 LEU 91 -4.106 -4.677 -2.741 679 HD12 LEU 91 2HD1 LEU 91 -5.366 -4.041 -3.797 680 HD13 LEU 91 3HD1 LEU 91 -5.355 -5.752 -3.369 681 HD21 LEU 91 3HD2 LEU 91 -5.922 -4.934 0.282 682 HD22 LEU 91 1HD2 LEU 91 -4.682 -3.802 -0.260 683 HD23 LEU 91 2HD2 LEU 91 -4.547 -5.514 -0.659 684 H HIS 92 H HIS 92 -7.107 -4.674 -4.582 685 HA HIS 92 HA HIS 92 -9.752 -5.773 -3.902 686 HB2 HIS 92 1HB HIS 92 -8.462 -5.730 -6.638 687 HB3 HIS 92 2HB HIS 92 -9.969 -6.548 -6.239 688 HD1 HIS 92 1HD HIS 92 -11.906 -4.838 -5.298 689 HD2 HIS 92 2HD HIS 92 -8.797 -3.187 -7.504 690 HE1 HIS 92 1HE HIS 92 -12.741 -2.592 -6.058 691 HE2 HIS 92 2HE HIS 92 -10.876 -1.647 -7.463 692 H VAL 93 H VAL 93 -9.879 -7.963 -3.618 693 HA VAL 93 HA VAL 93 -7.575 -9.633 -4.243 694 HB VAL 93 HB VAL 93 -6.840 -9.144 -2.107 695 HG11 VAL 93 1HG1 VAL 93 -9.728 -9.096 -1.244 696 HG12 VAL 93 2HG1 VAL 93 -8.359 -8.943 -0.140 697 HG13 VAL 93 3HG1 VAL 93 -8.630 -7.723 -1.385 698 HG21 VAL 93 3HG2 VAL 93 -7.207 -11.089 -0.750 699 HG22 VAL 93 1HG2 VAL 93 -8.730 -11.431 -1.572 700 HG23 VAL 93 2HG2 VAL 93 -7.204 -11.587 -2.442 701 H GLU 94 H GLU 94 -8.160 -11.637 -4.831 702 HA GLU 94 HA GLU 94 -10.732 -12.712 -3.959 703 HB2 GLU 94 1HB GLU 94 -9.948 -12.204 -6.821 704 HB3 GLU 94 2HB GLU 94 -11.130 -13.434 -6.394 705 HG2 GLU 94 1HG GLU 94 -12.355 -11.567 -5.153 706 HG3 GLU 94 2HG GLU 94 -11.313 -10.465 -6.052 707 H GLU 95 H GLU 95 -10.636 -14.832 -3.532 708 HA GLU 95 HA GLU 95 -8.122 -16.204 -3.905 709 HB2 GLU 95 1HB GLU 95 -9.797 -16.287 -1.873 710 HB3 GLU 95 2HB GLU 95 -10.563 -17.551 -2.825 711 HG2 GLU 95 1HG GLU 95 -8.151 -18.525 -2.958 712 HG3 GLU 95 2HG GLU 95 -7.875 -17.514 -1.540 713 H LYS 96 H LYS 96 -7.967 -18.348 -4.840 714 HA LYS 96 HA LYS 96 -9.262 -18.481 -7.389 715 HB2 LYS 96 1HB LYS 96 -7.901 -20.461 -7.762 716 HB3 LYS 96 2HB LYS 96 -6.920 -19.181 -7.061 717 HG2 LYS 96 1HG LYS 96 -6.905 -20.238 -4.937 718 HG3 LYS 96 2HG LYS 96 -8.139 -21.397 -5.436 719 HD2 LYS 96 1HD LYS 96 -5.525 -21.237 -6.889 720 HD3 LYS 96 2HD LYS 96 -5.656 -22.139 -5.378 721 HE2 LYS 96 1HE LYS 96 -7.673 -22.625 -7.514 722 HE3 LYS 96 2HE LYS 96 -6.056 -23.298 -7.714 723 HZ1 LYS 96 3HZ LYS 96 -6.321 -24.333 -5.499 724 HZ2 LYS 96 1HZ LYS 96 -7.431 -24.906 -6.640 725 HZ3 LYS 96 2HZ LYS 96 -7.925 -23.796 -5.463 726 H ALA 97 H ALA 97 -10.923 -19.731 -8.047 727 HA ALA 97 HA ALA 97 -11.871 -21.924 -6.397 728 HB1 ALA 97 3HB ALA 97 -14.143 -20.279 -7.073 729 HB2 ALA 97 1HB ALA 97 -13.658 -20.943 -5.512 730 HB3 ALA 97 2HB ALA 97 -12.998 -19.401 -6.059 731 H SER 98 H SER 98 -12.449 -23.548 -7.677 732 HA SER 98 HA SER 98 -12.536 -23.241 -10.509 733 HB2 SER 98 1HB SER 98 -11.720 -25.294 -9.315 734 HB3 SER 98 2HB SER 98 -13.394 -25.650 -8.891 735 HG SER 98 HG SER 98 -12.082 -26.078 -11.221 736 H GLY 99 H GLY 99 -14.261 -21.655 -10.657 737 HA2 GLY 99 1HA GLY 99 -16.611 -22.525 -11.677 738 HA3 GLY 99 2HA GLY 99 -16.946 -22.462 -9.953 739 HA PRO 100 HA PRO 100 -17.337 -18.230 -12.146 740 HB2 PRO 100 1HB PRO 100 -20.031 -18.156 -12.476 741 HB3 PRO 100 2HB PRO 100 -18.928 -18.779 -13.710 742 HG2 PRO 100 1HG PRO 100 -20.570 -20.279 -11.705 743 HG3 PRO 100 2HG PRO 100 -20.303 -20.632 -13.423 744 HD2 PRO 100 1HD PRO 100 -18.974 -21.922 -11.447 745 HD3 PRO 100 2HD PRO 100 -18.247 -21.599 -13.034 746 H SER 101 H SER 101 -18.612 -16.368 -11.285 747 HA SER 101 HA SER 101 -19.120 -16.759 -8.415 748 HB2 SER 101 1HB SER 101 -18.159 -14.393 -10.010 749 HB3 SER 101 2HB SER 101 -18.823 -14.192 -8.389 750 HG SER 101 HG SER 101 -16.380 -15.070 -9.142 751 H SER 102 H SER 102 -21.258 -17.221 -8.276 752 HA SER 102 HA SER 102 -23.281 -16.094 -9.878 753 HB2 SER 102 1HB SER 102 -24.840 -17.134 -8.382 754 HB3 SER 102 2HB SER 102 -23.453 -18.215 -8.517 755 HG SER 102 HG SER 102 -22.695 -17.337 -6.533 756 H GLY 103 H GLY 103 -22.311 -15.361 -6.525 757 HA2 GLY 103 1HA GLY 103 -22.096 -12.947 -5.995 758 HA3 GLY 103 2HA GLY 103 -23.613 -12.728 -6.854 Start of MODEL 8 1 H1 GLY 1 H GLY 1 19.201 31.105 -2.361 2 HA2 GLY 1 1HA GLY 1 19.039 28.956 -1.355 3 HA3 GLY 1 2HA GLY 1 18.346 29.709 0.074 4 H SER 2 H SER 2 16.378 28.882 0.336 5 HA SER 2 HA SER 2 14.639 28.658 -2.032 6 HB2 SER 2 1HB SER 2 14.507 27.133 0.581 7 HB3 SER 2 2HB SER 2 13.383 26.948 -0.765 8 HG SER 2 HG SER 2 16.049 26.700 -1.427 9 H SER 3 H SER 3 14.940 31.129 -0.781 10 HA SER 3 HA SER 3 12.635 31.479 0.966 11 HB2 SER 3 1HB SER 3 14.883 32.625 1.345 12 HB3 SER 3 2HB SER 3 14.485 33.644 -0.039 13 HG SER 3 HG SER 3 13.807 34.671 1.830 14 H GLY 4 H GLY 4 10.712 32.218 0.319 15 HA2 GLY 4 1HA GLY 4 9.474 33.848 -1.035 16 HA3 GLY 4 2HA GLY 4 10.535 33.426 -2.372 17 H SER 5 H SER 5 9.060 32.693 -3.819 18 HA SER 5 HA SER 5 6.792 31.173 -3.276 19 HB2 SER 5 1HB SER 5 8.483 31.204 -5.788 20 HB3 SER 5 2HB SER 5 6.846 30.558 -5.675 21 HG SER 5 HG SER 5 7.146 33.133 -4.738 22 H SER 6 H SER 6 7.322 29.561 -1.772 23 HA SER 6 HA SER 6 9.274 27.540 -2.433 24 HB2 SER 6 1HB SER 6 7.396 27.987 -0.129 25 HB3 SER 6 2HB SER 6 8.233 26.446 -0.318 26 HG SER 6 HG SER 6 9.540 28.963 -0.267 27 H GLY 7 H GLY 7 8.878 25.404 -2.976 28 HA2 GLY 7 1HA GLY 7 6.371 24.954 -4.364 29 HA3 GLY 7 2HA GLY 7 7.779 23.902 -4.381 30 HA PRO 8 HA PRO 8 4.483 22.803 -0.980 31 HB2 PRO 8 1HB PRO 8 2.338 21.871 -2.360 32 HB3 PRO 8 2HB PRO 8 2.483 23.551 -1.829 33 HG2 PRO 8 1HG PRO 8 3.031 22.362 -4.521 34 HG3 PRO 8 2HG PRO 8 2.195 23.872 -4.114 35 HD2 PRO 8 1HD PRO 8 4.772 23.811 -4.943 36 HD3 PRO 8 2HD PRO 8 4.166 25.024 -3.797 37 H ALA 9 H ALA 9 4.004 20.643 -0.349 38 HA ALA 9 HA ALA 9 5.428 18.642 -1.950 39 HB1 ALA 9 3HB ALA 9 5.920 19.146 0.542 40 HB2 ALA 9 1HB ALA 9 4.479 18.175 0.848 41 HB3 ALA 9 2HB ALA 9 5.856 17.469 0.000 42 H ALA 10 H ALA 10 2.752 19.510 -2.655 43 HA ALA 10 HA ALA 10 0.799 17.660 -1.794 44 HB1 ALA 10 3HB ALA 10 -0.499 19.074 -2.902 45 HB2 ALA 10 1HB ALA 10 0.927 19.875 -3.562 46 HB3 ALA 10 2HB ALA 10 0.193 18.524 -4.428 47 H ILE 11 H ILE 11 -0.358 16.257 -3.548 48 HA ILE 11 HA ILE 11 1.696 14.479 -4.664 49 HB ILE 11 HB ILE 11 -1.215 13.902 -4.098 50 HG12 ILE 11 1HG1 ILE 11 1.084 12.671 -2.624 51 HG13 ILE 11 2HG1 ILE 11 0.527 14.277 -2.165 52 HG21 ILE 11 1HG2 ILE 11 0.406 11.571 -4.320 53 HG22 ILE 11 2HG2 ILE 11 -0.975 12.056 -5.302 54 HG23 ILE 11 3HG2 ILE 11 0.650 12.571 -5.752 55 HD11 ILE 11 3HD1 ILE 11 -1.460 13.504 -1.356 56 HD12 ILE 11 1HD1 ILE 11 -1.474 12.097 -2.418 57 HD13 ILE 11 2HD1 ILE 11 -0.415 12.127 -1.008 58 H ILE 12 H ILE 12 1.837 14.079 -6.794 59 HA ILE 12 HA ILE 12 -0.092 15.439 -8.549 60 HB ILE 12 HB ILE 12 1.858 14.889 -10.263 61 HG12 ILE 12 1HG1 ILE 12 3.065 13.756 -8.225 62 HG13 ILE 12 2HG1 ILE 12 3.991 14.709 -9.380 63 HG21 ILE 12 1HG2 ILE 12 1.684 17.154 -8.300 64 HG22 ILE 12 2HG2 ILE 12 2.867 17.137 -9.607 65 HG23 ILE 12 3HG2 ILE 12 1.144 17.105 -9.978 66 HD11 ILE 12 3HD1 ILE 12 4.013 16.586 -7.885 67 HD12 ILE 12 1HD1 ILE 12 2.948 15.747 -6.757 68 HD13 ILE 12 2HD1 ILE 12 4.586 15.154 -7.031 69 H LYS 13 H LYS 13 1.530 12.383 -7.936 70 HA LYS 13 HA LYS 13 -0.154 11.114 -9.992 71 HB2 LYS 13 1HB LYS 13 2.450 10.189 -8.766 72 HB3 LYS 13 2HB LYS 13 1.489 9.238 -9.891 73 HG2 LYS 13 1HG LYS 13 1.755 11.089 -11.551 74 HG3 LYS 13 2HG LYS 13 2.890 11.845 -10.430 75 HD2 LYS 13 1HD LYS 13 4.459 10.143 -10.679 76 HD3 LYS 13 2HD LYS 13 3.264 9.000 -11.296 77 HE2 LYS 13 1HE LYS 13 3.848 11.488 -12.839 78 HE3 LYS 13 2HE LYS 13 4.983 10.141 -12.912 79 HZ1 LYS 13 3HZ LYS 13 2.268 10.340 -13.959 80 HZ2 LYS 13 1HZ LYS 13 2.746 8.835 -13.354 81 HZ3 LYS 13 2HZ LYS 13 3.622 9.559 -14.605 82 HA PRO 14 HA PRO 14 -2.184 9.670 -6.195 83 HB2 PRO 14 1HB PRO 14 -4.520 9.056 -7.434 84 HB3 PRO 14 2HB PRO 14 -4.107 10.696 -6.922 85 HG2 PRO 14 1HG PRO 14 -3.901 9.450 -9.636 86 HG3 PRO 14 2HG PRO 14 -4.488 11.062 -9.187 87 HD2 PRO 14 1HD PRO 14 -2.002 10.640 -10.173 88 HD3 PRO 14 2HD PRO 14 -2.359 11.924 -8.999 89 H LEU 15 H LEU 15 -2.850 7.601 -5.500 90 HA LEU 15 HA LEU 15 -1.501 5.431 -6.673 91 HB2 LEU 15 1HB LEU 15 -3.829 5.224 -4.780 92 HB3 LEU 15 2HB LEU 15 -2.512 4.073 -5.004 93 HG LEU 15 HG LEU 15 -2.052 6.843 -3.928 94 HD11 LEU 15 1HD1 LEU 15 -2.071 5.816 -1.684 95 HD12 LEU 15 2HD1 LEU 15 -2.703 4.331 -2.395 96 HD13 LEU 15 3HD1 LEU 15 -3.658 5.813 -2.454 97 HD21 LEU 15 3HD2 LEU 15 -0.487 4.282 -4.017 98 HD22 LEU 15 1HD2 LEU 15 -0.097 5.580 -2.889 99 HD23 LEU 15 2HD2 LEU 15 -0.034 5.874 -4.627 100 H GLU 16 H GLU 16 -2.995 3.265 -6.853 101 HA GLU 16 HA GLU 16 -5.359 3.749 -8.460 102 HB2 GLU 16 1HB GLU 16 -2.922 2.387 -9.621 103 HB3 GLU 16 2HB GLU 16 -4.506 2.446 -10.382 104 HG2 GLU 16 1HG GLU 16 -4.365 4.848 -10.580 105 HG3 GLU 16 2HG GLU 16 -2.827 4.853 -9.718 106 H ASP 17 H ASP 17 -6.753 2.032 -8.493 107 HA ASP 17 HA ASP 17 -6.774 0.191 -6.476 108 HB2 ASP 17 1HB ASP 17 -7.975 -0.107 -9.237 109 HB3 ASP 17 2HB ASP 17 -8.396 -1.105 -7.848 110 H GLN 18 H GLN 18 -5.875 -1.739 -6.050 111 HA GLN 18 HA GLN 18 -4.118 -2.892 -8.113 112 HB2 GLN 18 1HB GLN 18 -3.886 -3.164 -5.112 113 HB3 GLN 18 2HB GLN 18 -2.754 -3.784 -6.306 114 HG2 GLN 18 1HG GLN 18 -3.374 -0.863 -5.971 115 HG3 GLN 18 2HG GLN 18 -2.053 -1.684 -5.142 116 HE21 GLN 18 1HE2 GLN 18 -1.419 0.397 -6.685 117 HE22 GLN 18 2HE2 GLN 18 -0.651 -0.119 -8.143 118 H TRP 19 H TRP 19 -4.189 -5.070 -8.536 119 HA TRP 19 HA TRP 19 -6.321 -6.590 -7.184 120 HB2 TRP 19 1HB TRP 19 -5.615 -6.438 -10.107 121 HB3 TRP 19 2HB TRP 19 -6.496 -7.813 -9.446 122 HD1 TRP 19 HD TRP 19 -8.983 -7.312 -8.473 123 HE1 TRP 19 1HE TRP 19 -10.676 -5.468 -9.071 124 HE3 TRP 19 3HE TRP 19 -5.828 -4.039 -10.811 125 HZ2 TRP 19 2HZ TRP 19 -10.675 -2.958 -10.363 126 HZ3 TRP 19 3HZ TRP 19 -6.753 -1.940 -11.700 127 HH2 TRP 19 HH TRP 19 -9.127 -1.413 -11.480 128 H VAL 20 H VAL 20 -5.091 -7.786 -5.805 129 HA VAL 20 HA VAL 20 -3.069 -9.543 -7.037 130 HB VAL 20 HB VAL 20 -1.808 -9.540 -4.977 131 HG11 VAL 20 1HG1 VAL 20 -2.278 -6.632 -5.314 132 HG12 VAL 20 2HG1 VAL 20 -0.767 -7.544 -5.308 133 HG13 VAL 20 3HG1 VAL 20 -1.797 -7.551 -6.740 134 HG21 VAL 20 3HG2 VAL 20 -3.818 -9.260 -3.498 135 HG22 VAL 20 1HG2 VAL 20 -2.412 -8.300 -3.036 136 HG23 VAL 20 2HG2 VAL 20 -3.766 -7.537 -3.869 137 H ALA 21 H ALA 21 -2.596 -11.367 -5.202 138 HA ALA 21 HA ALA 21 -5.223 -12.602 -4.718 139 HB1 ALA 21 3HB ALA 21 -3.301 -14.590 -4.463 140 HB2 ALA 21 1HB ALA 21 -4.360 -14.313 -5.847 141 HB3 ALA 21 2HB ALA 21 -2.744 -13.605 -5.816 142 HA PRO 22 HA PRO 22 -4.636 -12.743 -0.372 143 HB2 PRO 22 1HB PRO 22 -5.537 -15.219 0.280 144 HB3 PRO 22 2HB PRO 22 -6.610 -13.910 -0.230 145 HG2 PRO 22 1HG PRO 22 -5.523 -16.199 -1.825 146 HG3 PRO 22 2HG PRO 22 -7.164 -15.527 -1.807 147 HD2 PRO 22 1HD PRO 22 -5.372 -14.943 -3.751 148 HD3 PRO 22 2HD PRO 22 -6.601 -13.783 -3.206 149 H GLY 23 H GLY 23 -2.318 -12.653 -0.368 150 HA2 GLY 23 1HA GLY 23 -0.866 -14.156 1.197 151 HA3 GLY 23 2HA GLY 23 -0.926 -15.229 -0.194 152 H GLU 24 H GLU 24 -0.998 -12.477 -1.736 153 HA GLU 24 HA GLU 24 1.885 -12.427 -2.120 154 HB2 GLU 24 1HB GLU 24 -0.166 -10.806 -3.622 155 HB3 GLU 24 2HB GLU 24 1.462 -11.230 -4.133 156 HG2 GLU 24 1HG GLU 24 0.498 -13.684 -3.882 157 HG3 GLU 24 2HG GLU 24 -1.023 -12.842 -4.171 158 H ASP 25 H ASP 25 2.664 -10.047 -2.742 159 HA ASP 25 HA ASP 25 2.030 -8.384 -0.398 160 HB2 ASP 25 1HB ASP 25 4.272 -7.373 -0.747 161 HB3 ASP 25 2HB ASP 25 4.345 -9.105 -0.433 162 H VAL 26 H VAL 26 1.109 -6.462 -0.688 163 HA VAL 26 HA VAL 26 0.764 -5.485 -3.427 164 HB VAL 26 HB VAL 26 -0.661 -4.794 -0.860 165 HG11 VAL 26 1HG1 VAL 26 -2.154 -3.572 -2.703 166 HG12 VAL 26 2HG1 VAL 26 -0.845 -2.757 -1.845 167 HG13 VAL 26 3HG1 VAL 26 -0.575 -3.395 -3.468 168 HG21 VAL 26 3HG2 VAL 26 -2.511 -5.922 -1.742 169 HG22 VAL 26 1HG2 VAL 26 -1.855 -5.905 -3.379 170 HG23 VAL 26 2HG2 VAL 26 -1.143 -6.956 -2.154 171 H GLU 27 H GLU 27 1.464 -3.513 -4.113 172 HA GLU 27 HA GLU 27 2.912 -1.838 -2.175 173 HB2 GLU 27 1HB GLU 27 3.824 -2.517 -4.977 174 HB3 GLU 27 2HB GLU 27 4.625 -1.393 -3.887 175 HG2 GLU 27 1HG GLU 27 5.183 -3.158 -2.372 176 HG3 GLU 27 2HG GLU 27 4.222 -4.313 -3.293 177 H LEU 28 H LEU 28 2.090 0.136 -2.103 178 HA LEU 28 HA LEU 28 0.716 1.179 -4.490 179 HB2 LEU 28 1HB LEU 28 0.320 1.954 -1.604 180 HB3 LEU 28 2HB LEU 28 -0.584 2.577 -2.982 181 HG LEU 28 HG LEU 28 -0.622 -0.350 -2.350 182 HD11 LEU 28 1HD1 LEU 28 -2.903 0.505 -1.208 183 HD12 LEU 28 2HD1 LEU 28 -1.826 1.835 -0.785 184 HD13 LEU 28 3HD1 LEU 28 -1.417 0.186 -0.312 185 HD21 LEU 28 3HD2 LEU 28 -2.518 1.569 -3.695 186 HD22 LEU 28 1HD2 LEU 28 -2.882 -0.124 -3.361 187 HD23 LEU 28 2HD2 LEU 28 -1.566 0.295 -4.458 188 H ARG 29 H ARG 29 2.558 2.083 -5.440 189 HA ARG 29 HA ARG 29 4.129 4.011 -3.950 190 HB2 ARG 29 1HB ARG 29 4.263 3.185 -6.856 191 HB3 ARG 29 2HB ARG 29 5.418 4.230 -6.040 192 HG2 ARG 29 1HG ARG 29 5.862 2.314 -4.464 193 HG3 ARG 29 2HG ARG 29 4.915 1.309 -5.563 194 HD2 ARG 29 1HD ARG 29 6.544 2.363 -7.357 195 HD3 ARG 29 2HD ARG 29 7.585 2.562 -5.948 196 HE ARG 29 HE ARG 29 6.485 -0.085 -6.252 197 HH11 ARG 29 2HH1 ARG 29 9.107 2.062 -7.050 198 HH12 ARG 29 1HH1 ARG 29 10.233 0.782 -7.358 199 HH21 ARG 29 2HH2 ARG 29 7.958 -1.778 -6.655 200 HH22 ARG 29 1HH2 ARG 29 9.579 -1.402 -7.134 201 H CYS 30 H CYS 30 4.346 6.217 -4.531 202 HA CYS 30 HA CYS 30 2.352 7.338 -6.340 203 HB2 CYS 30 1HB CYS 30 1.246 8.644 -4.789 204 HB3 CYS 30 2HB CYS 30 1.549 7.192 -3.842 205 HG CYS 30 HG CYS 30 3.275 8.209 -2.135 206 H GLU 31 H GLU 31 2.647 9.941 -6.066 207 HA GLU 31 HA GLU 31 5.535 10.491 -6.067 208 HB2 GLU 31 1HB GLU 31 4.539 10.166 -8.399 209 HB3 GLU 31 2HB GLU 31 3.661 11.662 -8.116 210 HG2 GLU 31 1HG GLU 31 5.643 12.927 -8.012 211 HG3 GLU 31 2HG GLU 31 6.647 11.484 -7.883 212 H LEU 32 H LEU 32 6.143 12.466 -5.285 213 HA LEU 32 HA LEU 32 3.991 14.280 -4.418 214 HB2 LEU 32 1HB LEU 32 6.506 13.920 -2.835 215 HB3 LEU 32 2HB LEU 32 4.960 14.595 -2.324 216 HG LEU 32 HG LEU 32 5.121 11.702 -3.048 217 HD11 LEU 32 1HD1 LEU 32 6.904 12.704 -1.247 218 HD12 LEU 32 2HD1 LEU 32 6.266 11.060 -1.236 219 HD13 LEU 32 3HD1 LEU 32 5.534 12.297 -0.213 220 HD21 LEU 32 3HD2 LEU 32 2.970 12.026 -2.502 221 HD22 LEU 32 1HD2 LEU 32 3.309 13.530 -1.645 222 HD23 LEU 32 2HD2 LEU 32 3.557 11.981 -0.839 223 H SER 33 H SER 33 4.295 16.404 -4.806 224 HA SER 33 HA SER 33 6.119 17.283 -6.695 225 HB2 SER 33 1HB SER 33 4.129 18.564 -6.244 226 HB3 SER 33 2HB SER 33 4.628 18.846 -4.577 227 HG SER 33 HG SER 33 5.215 20.273 -6.757 228 H ARG 34 H ARG 34 6.523 16.840 -3.297 229 HA ARG 34 HA ARG 34 9.284 17.803 -3.526 230 HB2 ARG 34 1HB ARG 34 8.015 19.583 -2.430 231 HB3 ARG 34 2HB ARG 34 7.406 18.436 -1.243 232 HG2 ARG 34 1HG ARG 34 9.442 18.273 -0.161 233 HG3 ARG 34 2HG ARG 34 10.348 18.841 -1.565 234 HD2 ARG 34 1HD ARG 34 8.987 21.039 -1.186 235 HD3 ARG 34 2HD ARG 34 8.778 20.398 0.443 236 HE ARG 34 HE ARG 34 11.493 20.263 -0.216 237 HH11 ARG 34 2HH1 ARG 34 9.029 22.643 0.404 238 HH12 ARG 34 1HH1 ARG 34 10.141 23.826 1.011 239 HH21 ARG 34 2HH2 ARG 34 12.966 21.812 0.581 240 HH22 ARG 34 1HH2 ARG 34 12.380 23.352 1.110 241 H ALA 35 H ALA 35 10.770 16.507 -2.598 242 HA ALA 35 HA ALA 35 9.926 13.941 -1.627 243 HB1 ALA 35 3HB ALA 35 11.891 13.392 -2.497 244 HB2 ALA 35 1HB ALA 35 12.326 15.091 -2.679 245 HB3 ALA 35 2HB ALA 35 12.684 14.245 -1.173 246 H GLY 36 H GLY 36 11.475 13.145 0.340 247 HA2 GLY 36 1HA GLY 36 11.609 13.122 2.634 248 HA3 GLY 36 2HA GLY 36 12.090 14.803 2.461 249 H THR 37 H THR 37 8.952 13.606 1.478 250 HA THR 37 HA THR 37 7.749 15.165 3.671 251 HB THR 37 HB THR 37 6.706 14.641 0.885 252 HG1 THR 37 1HG THR 37 8.290 16.415 1.442 253 HG21 THR 37 3HG2 THR 37 4.739 14.560 2.096 254 HG22 THR 37 1HG2 THR 37 4.877 16.288 1.776 255 HG23 THR 37 2HG2 THR 37 5.343 15.643 3.350 256 HA PRO 38 HA PRO 38 6.181 11.253 5.080 257 HB2 PRO 38 1HB PRO 38 4.631 12.253 7.072 258 HB3 PRO 38 2HB PRO 38 6.388 12.115 7.200 259 HG2 PRO 38 1HG PRO 38 4.719 14.508 6.531 260 HG3 PRO 38 2HG PRO 38 6.129 14.391 7.600 261 HD2 PRO 38 1HD PRO 38 6.292 15.350 5.072 262 HD3 PRO 38 2HD PRO 38 7.622 14.464 5.845 263 H VAL 39 H VAL 39 4.276 10.076 4.940 264 HA VAL 39 HA VAL 39 2.004 11.475 3.684 265 HB VAL 39 HB VAL 39 3.225 9.880 2.185 266 HG11 VAL 39 1HG1 VAL 39 2.313 7.937 4.281 267 HG12 VAL 39 2HG1 VAL 39 2.628 7.428 2.621 268 HG13 VAL 39 3HG1 VAL 39 3.921 8.141 3.587 269 HG21 VAL 39 3HG2 VAL 39 0.757 10.506 2.033 270 HG22 VAL 39 1HG2 VAL 39 1.270 9.048 1.183 271 HG23 VAL 39 2HG2 VAL 39 0.430 8.918 2.728 272 H HIS 40 H HIS 40 -0.118 10.495 4.059 273 HA HIS 40 HA HIS 40 -0.271 9.218 6.711 274 HB2 HIS 40 1HB HIS 40 -1.182 11.663 6.248 275 HB3 HIS 40 2HB HIS 40 -2.570 10.780 5.619 276 HD1 HIS 40 1HD HIS 40 -3.677 12.117 7.754 277 HD2 HIS 40 2HD HIS 40 -1.186 8.898 8.586 278 HE1 HIS 40 1HE HIS 40 -4.214 11.445 10.117 279 HE2 HIS 40 2HE HIS 40 -2.635 9.550 10.627 280 H TRP 41 H TRP 41 -0.583 7.109 6.288 281 HA TRP 41 HA TRP 41 -2.310 6.266 4.117 282 HB2 TRP 41 1HB TRP 41 -0.750 4.674 6.162 283 HB3 TRP 41 2HB TRP 41 -1.662 3.973 4.828 284 HD1 TRP 41 HD TRP 41 1.644 5.590 5.649 285 HE1 TRP 41 1HE TRP 41 3.137 5.599 3.552 286 HE3 TRP 41 3HE TRP 41 -1.825 4.159 2.177 287 HZ2 TRP 41 2HZ TRP 41 2.878 5.070 0.792 288 HZ3 TRP 41 3HZ TRP 41 -1.121 3.935 -0.171 289 HH2 TRP 41 HH TRP 41 1.182 4.382 -0.847 290 H LEU 42 H LEU 42 -4.430 6.499 4.497 291 HA LEU 42 HA LEU 42 -5.488 5.705 7.121 292 HB2 LEU 42 1HB LEU 42 -6.838 7.276 4.931 293 HB3 LEU 42 2HB LEU 42 -7.473 6.971 6.547 294 HG LEU 42 HG LEU 42 -4.880 8.415 6.292 295 HD11 LEU 42 1HD1 LEU 42 -5.907 10.511 5.889 296 HD12 LEU 42 2HD1 LEU 42 -7.525 9.817 5.993 297 HD13 LEU 42 3HD1 LEU 42 -6.481 9.418 4.629 298 HD21 LEU 42 3HD2 LEU 42 -5.607 9.467 8.312 299 HD22 LEU 42 1HD2 LEU 42 -5.878 7.732 8.474 300 HD23 LEU 42 2HD2 LEU 42 -7.234 8.807 8.133 301 H LYS 43 H LYS 43 -6.493 3.824 7.298 302 HA LYS 43 HA LYS 43 -7.452 2.503 4.851 303 HB2 LYS 43 1HB LYS 43 -5.672 1.456 6.448 304 HB3 LYS 43 2HB LYS 43 -7.058 1.090 7.468 305 HG2 LYS 43 1HG LYS 43 -8.036 0.052 5.289 306 HG3 LYS 43 2HG LYS 43 -6.347 0.015 4.779 307 HD2 LYS 43 1HD LYS 43 -5.741 -1.346 6.651 308 HD3 LYS 43 2HD LYS 43 -7.339 -1.151 7.377 309 HE2 LYS 43 1HE LYS 43 -7.039 -2.362 4.655 310 HE3 LYS 43 2HE LYS 43 -6.776 -3.337 6.100 311 HZ1 LYS 43 3HZ LYS 43 -9.257 -1.842 5.441 312 HZ2 LYS 43 1HZ LYS 43 -9.006 -2.753 6.844 313 HZ3 LYS 43 2HZ LYS 43 -9.051 -3.518 5.337 314 H ASP 44 H ASP 44 -9.522 3.236 4.656 315 HA ASP 44 HA ASP 44 -11.768 3.314 5.013 316 HB2 ASP 44 1HB ASP 44 -11.198 1.361 7.253 317 HB3 ASP 44 2HB ASP 44 -12.778 1.698 6.551 318 H ARG 45 H ARG 45 -10.375 5.403 6.013 319 HA ARG 45 HA ARG 45 -10.617 7.203 7.385 320 HB2 ARG 45 1HB ARG 45 -12.980 5.726 8.556 321 HB3 ARG 45 2HB ARG 45 -12.645 7.448 8.687 322 HG2 ARG 45 1HG ARG 45 -12.906 6.283 5.969 323 HG3 ARG 45 2HG ARG 45 -14.368 6.490 6.936 324 HD2 ARG 45 1HD ARG 45 -12.383 8.710 6.536 325 HD3 ARG 45 2HD ARG 45 -13.696 8.411 5.397 326 HE ARG 45 HE ARG 45 -14.568 8.654 8.123 327 HH11 ARG 45 2HH1 ARG 45 -13.780 10.384 5.207 328 HH12 ARG 45 1HH1 ARG 45 -14.757 11.759 5.604 329 HH21 ARG 45 2HH2 ARG 45 -15.857 10.459 8.657 330 HH22 ARG 45 1HH2 ARG 45 -15.937 11.801 7.567 331 H LYS 46 H LYS 46 -8.985 4.912 8.119 332 HA LYS 46 HA LYS 46 -8.787 5.462 10.992 333 HB2 LYS 46 1HB LYS 46 -9.086 2.798 9.680 334 HB3 LYS 46 2HB LYS 46 -8.035 2.923 11.084 335 HG2 LYS 46 1HG LYS 46 -10.893 3.856 11.073 336 HG3 LYS 46 2HG LYS 46 -10.396 2.233 11.558 337 HD2 LYS 46 1HD LYS 46 -9.025 4.554 12.815 338 HD3 LYS 46 2HD LYS 46 -10.678 4.193 13.318 339 HE2 LYS 46 1HE LYS 46 -10.099 2.119 14.175 340 HE3 LYS 46 2HE LYS 46 -8.635 2.012 13.199 341 HZ1 LYS 46 3HZ LYS 46 -9.092 3.613 15.642 342 HZ2 LYS 46 1HZ LYS 46 -7.812 3.948 14.587 343 HZ3 LYS 46 2HZ LYS 46 -7.902 2.445 15.358 344 H ALA 47 H ALA 47 -6.866 6.368 11.282 345 HA ALA 47 HA ALA 47 -4.753 6.405 9.496 346 HB1 ALA 47 3HB ALA 47 -4.598 6.685 12.495 347 HB2 ALA 47 1HB ALA 47 -3.386 7.230 11.336 348 HB3 ALA 47 2HB ALA 47 -4.984 7.976 11.357 349 H ILE 48 H ILE 48 -3.393 4.890 8.829 350 HA ILE 48 HA ILE 48 -3.234 2.350 10.191 351 HB ILE 48 HB ILE 48 -1.699 3.271 7.760 352 HG12 ILE 48 1HG1 ILE 48 -4.256 1.662 7.849 353 HG13 ILE 48 2HG1 ILE 48 -4.200 3.391 7.526 354 HG21 ILE 48 1HG2 ILE 48 -0.648 1.325 7.940 355 HG22 ILE 48 2HG2 ILE 48 -1.624 0.885 9.341 356 HG23 ILE 48 3HG2 ILE 48 -2.193 0.506 7.716 357 HD11 ILE 48 3HD1 ILE 48 -2.386 2.295 5.741 358 HD12 ILE 48 1HD1 ILE 48 -3.741 1.166 5.753 359 HD13 ILE 48 2HD1 ILE 48 -4.014 2.869 5.384 360 H ARG 49 H ARG 49 -1.451 1.457 11.182 361 HA ARG 49 HA ARG 49 0.688 3.358 11.870 362 HB2 ARG 49 1HB ARG 49 -0.182 0.889 13.382 363 HB3 ARG 49 2HB ARG 49 1.014 2.066 13.905 364 HG2 ARG 49 1HG ARG 49 -0.830 2.713 15.105 365 HG3 ARG 49 2HG ARG 49 -0.952 3.756 13.686 366 HD2 ARG 49 1HD ARG 49 -2.741 2.607 12.826 367 HD3 ARG 49 2HD ARG 49 -2.289 1.098 13.620 368 HE ARG 49 HE ARG 49 -3.622 1.696 15.367 369 HH11 ARG 49 2HH1 ARG 49 -2.764 4.570 13.600 370 HH12 ARG 49 1HH1 ARG 49 -3.771 5.612 14.550 371 HH21 ARG 49 2HH2 ARG 49 -4.952 3.057 16.624 372 HH22 ARG 49 1HH2 ARG 49 -5.014 4.751 16.270 373 H LYS 50 H LYS 50 2.754 2.896 11.394 374 HA LYS 50 HA LYS 50 3.427 0.951 9.519 375 HB2 LYS 50 1HB LYS 50 4.724 3.042 10.098 376 HB3 LYS 50 2HB LYS 50 5.344 2.180 11.500 377 HG2 LYS 50 1HG LYS 50 6.374 0.524 10.055 378 HG3 LYS 50 2HG LYS 50 5.708 1.330 8.633 379 HD2 LYS 50 1HD LYS 50 7.941 2.067 8.786 380 HD3 LYS 50 2HD LYS 50 6.965 3.401 9.407 381 HE2 LYS 50 1HE LYS 50 7.573 2.972 11.617 382 HE3 LYS 50 2HE LYS 50 8.097 1.329 11.253 383 HZ1 LYS 50 3HZ LYS 50 9.611 3.718 11.246 384 HZ2 LYS 50 1HZ LYS 50 9.666 3.004 9.713 385 HZ3 LYS 50 2HZ LYS 50 10.143 2.121 11.074 386 H SER 51 H SER 51 3.523 -1.178 9.713 387 HA SER 51 HA SER 51 4.813 -2.388 12.008 388 HB2 SER 51 1HB SER 51 1.878 -2.610 11.482 389 HB3 SER 51 2HB SER 51 2.733 -4.023 12.099 390 HG SER 51 HG SER 51 3.125 -1.541 13.342 391 H GLN 52 H GLN 52 5.093 -4.750 11.716 392 HA GLN 52 HA GLN 52 6.388 -5.510 9.515 393 HB2 GLN 52 1HB GLN 52 4.508 -7.205 11.158 394 HB3 GLN 52 2HB GLN 52 5.593 -7.873 9.946 395 HG2 GLN 52 1HG GLN 52 6.686 -6.142 12.114 396 HG3 GLN 52 2HG GLN 52 6.290 -7.827 12.447 397 HE21 GLN 52 1HE2 GLN 52 8.774 -7.381 12.851 398 HE22 GLN 52 2HE2 GLN 52 9.791 -7.887 11.549 399 H LYS 53 H LYS 53 2.868 -5.623 9.855 400 HA LYS 53 HA LYS 53 2.365 -6.790 7.321 401 HB2 LYS 53 1HB LYS 53 0.657 -6.929 8.981 402 HB3 LYS 53 2HB LYS 53 0.642 -5.185 9.207 403 HG2 LYS 53 1HG LYS 53 -1.304 -5.848 7.969 404 HG3 LYS 53 2HG LYS 53 -0.230 -4.928 6.913 405 HD2 LYS 53 1HD LYS 53 -0.934 -6.749 5.611 406 HD3 LYS 53 2HD LYS 53 0.685 -7.190 6.159 407 HE2 LYS 53 1HE LYS 53 -0.439 -9.132 6.607 408 HE3 LYS 53 2HE LYS 53 -0.648 -8.291 8.142 409 HZ1 LYS 53 3HZ LYS 53 -2.673 -7.873 6.075 410 HZ2 LYS 53 1HZ LYS 53 -2.842 -7.934 7.757 411 HZ3 LYS 53 2HZ LYS 53 -2.666 -9.365 6.872 412 H TYR 54 H TYR 54 2.045 -3.423 8.455 413 HA TYR 54 HA TYR 54 2.065 -2.548 5.651 414 HB2 TYR 54 1HB TYR 54 1.302 -0.971 8.116 415 HB3 TYR 54 2HB TYR 54 1.112 -0.456 6.443 416 HD1 TYR 54 2HD TYR 54 -0.147 -2.534 5.039 417 HD2 TYR 54 1HD TYR 54 -0.716 -1.443 9.112 418 HE1 TYR 54 2HE TYR 54 -2.397 -3.527 4.985 419 HE2 TYR 54 1HE TYR 54 -2.967 -2.434 9.070 420 HH TYR 54 HH TYR 54 -4.023 -4.520 7.252 421 H ASP 55 H ASP 55 4.104 -2.229 5.000 422 HA ASP 55 HA ASP 55 6.006 -0.938 6.816 423 HB2 ASP 55 1HB ASP 55 6.448 -2.311 4.156 424 HB3 ASP 55 2HB ASP 55 7.717 -1.616 5.160 425 H VAL 56 H VAL 56 6.094 1.201 6.720 426 HA VAL 56 HA VAL 56 5.188 2.662 4.412 427 HB VAL 56 HB VAL 56 6.592 3.779 6.838 428 HG11 VAL 56 1HG1 VAL 56 6.481 5.585 5.482 429 HG12 VAL 56 2HG1 VAL 56 5.165 4.914 4.515 430 HG13 VAL 56 3HG1 VAL 56 4.824 5.652 6.081 431 HG21 VAL 56 3HG2 VAL 56 4.852 3.086 8.045 432 HG22 VAL 56 1HG2 VAL 56 3.868 4.225 7.126 433 HG23 VAL 56 2HG2 VAL 56 3.984 2.543 6.609 434 H VAL 57 H VAL 57 6.437 2.795 2.666 435 HA VAL 57 HA VAL 57 9.339 3.149 3.032 436 HB VAL 57 HB VAL 57 7.878 2.125 0.593 437 HG11 VAL 57 1HG1 VAL 57 10.441 3.259 0.853 438 HG12 VAL 57 2HG1 VAL 57 10.674 1.520 0.665 439 HG13 VAL 57 3HG1 VAL 57 9.761 2.423 -0.544 440 HG21 VAL 57 3HG2 VAL 57 8.422 -0.034 1.199 441 HG22 VAL 57 1HG2 VAL 57 9.726 0.483 2.269 442 HG23 VAL 57 2HG2 VAL 57 8.046 0.687 2.765 443 H CYS 58 H CYS 58 10.403 4.798 1.987 444 HA CYS 58 HA CYS 58 8.948 6.554 0.191 445 HB2 CYS 58 1HB CYS 58 8.325 7.543 2.284 446 HB3 CYS 58 2HB CYS 58 9.978 7.459 2.881 447 HG CYS 58 HG CYS 58 10.936 9.371 1.038 448 H GLU 59 H GLU 59 10.297 6.755 -1.463 449 HA GLU 59 HA GLU 59 13.124 7.338 -0.902 450 HB2 GLU 59 1HB GLU 59 12.034 5.379 -2.924 451 HB3 GLU 59 2HB GLU 59 13.685 5.983 -2.958 452 HG2 GLU 59 1HG GLU 59 14.030 4.066 -1.807 453 HG3 GLU 59 2HG GLU 59 13.662 5.135 -0.455 454 H GLY 60 H GLY 60 13.077 9.478 -1.399 455 HA2 GLY 60 1HA GLY 60 12.868 11.395 -2.654 456 HA3 GLY 60 2HA GLY 60 13.341 10.358 -3.992 457 H THR 61 H THR 61 10.675 11.846 -2.310 458 HA THR 61 HA THR 61 8.448 12.050 -2.812 459 HB THR 61 HB THR 61 7.987 12.859 -5.068 460 HG1 THR 61 1HG THR 61 10.146 12.908 -6.376 461 HG21 THR 61 3HG2 THR 61 10.674 13.870 -4.135 462 HG22 THR 61 1HG2 THR 61 9.129 14.342 -3.428 463 HG23 THR 61 2HG2 THR 61 9.491 14.745 -5.107 464 H MET 62 H MET 62 9.312 9.329 -2.670 465 HA MET 62 HA MET 62 7.316 8.124 -4.454 466 HB2 MET 62 1HB MET 62 9.724 7.762 -5.237 467 HB3 MET 62 2HB MET 62 9.920 6.751 -3.812 468 HG2 MET 62 1HG MET 62 7.832 6.300 -5.929 469 HG3 MET 62 2HG MET 62 9.406 5.507 -5.896 470 HE1 MET 62 3HE MET 62 9.228 3.424 -2.614 471 HE2 MET 62 1HE MET 62 9.979 3.410 -4.211 472 HE3 MET 62 2HE MET 62 10.113 4.840 -3.186 473 H ALA 63 H ALA 63 5.858 8.033 -2.732 474 HA ALA 63 HA ALA 63 6.619 6.569 -0.331 475 HB1 ALA 63 3HB ALA 63 4.803 8.637 -0.872 476 HB2 ALA 63 1HB ALA 63 3.831 7.234 -0.425 477 HB3 ALA 63 2HB ALA 63 5.084 7.823 0.667 478 H MET 64 H MET 64 6.362 4.448 -0.163 479 HA MET 64 HA MET 64 4.228 3.157 -1.728 480 HB2 MET 64 1HB MET 64 6.553 2.769 -2.642 481 HB3 MET 64 2HB MET 64 6.917 1.911 -1.150 482 HG2 MET 64 1HG MET 64 5.177 0.291 -1.631 483 HG3 MET 64 2HG MET 64 4.745 1.169 -3.096 484 HE1 MET 64 3HE MET 64 8.891 0.396 -2.352 485 HE2 MET 64 1HE MET 64 7.660 0.009 -1.149 486 HE3 MET 64 2HE MET 64 8.385 -1.277 -2.113 487 H LEU 65 H LEU 65 2.942 1.780 -0.641 488 HA LEU 65 HA LEU 65 3.655 1.194 2.157 489 HB2 LEU 65 1HB LEU 65 1.727 2.646 1.977 490 HB3 LEU 65 2HB LEU 65 0.945 1.514 0.876 491 HG LEU 65 HG LEU 65 0.962 -0.145 2.796 492 HD11 LEU 65 1HD1 LEU 65 2.233 0.463 4.531 493 HD12 LEU 65 2HD1 LEU 65 0.872 1.488 4.983 494 HD13 LEU 65 3HD1 LEU 65 2.219 2.165 4.069 495 HD21 LEU 65 3HD2 LEU 65 -0.829 1.848 2.073 496 HD22 LEU 65 1HD2 LEU 65 -0.728 1.964 3.830 497 HD23 LEU 65 2HD2 LEU 65 -1.169 0.433 3.071 498 H VAL 66 H VAL 66 4.466 -0.813 2.193 499 HA VAL 66 HA VAL 66 3.487 -2.887 0.442 500 HB VAL 66 HB VAL 66 5.344 -3.315 2.770 501 HG11 VAL 66 1HG1 VAL 66 6.147 -4.773 0.537 502 HG12 VAL 66 2HG1 VAL 66 5.306 -5.388 1.961 503 HG13 VAL 66 3HG1 VAL 66 4.387 -4.882 0.542 504 HG21 VAL 66 3HG2 VAL 66 5.859 -1.921 0.190 505 HG22 VAL 66 1HG2 VAL 66 6.519 -1.608 1.795 506 HG23 VAL 66 2HG2 VAL 66 7.113 -2.972 0.848 507 H ILE 67 H ILE 67 2.265 -4.650 0.980 508 HA ILE 67 HA ILE 67 1.169 -4.722 3.714 509 HB ILE 67 HB ILE 67 -0.351 -5.282 1.164 510 HG12 ILE 67 1HG1 ILE 67 -0.962 -3.096 3.131 511 HG13 ILE 67 2HG1 ILE 67 0.227 -2.842 1.858 512 HG21 ILE 67 1HG2 ILE 67 -0.785 -6.399 3.611 513 HG22 ILE 67 2HG2 ILE 67 -1.822 -4.975 3.676 514 HG23 ILE 67 3HG2 ILE 67 -2.022 -6.153 2.379 515 HD11 ILE 67 3HD1 ILE 67 -2.516 -3.830 1.204 516 HD12 ILE 67 1HD1 ILE 67 -2.207 -2.114 1.464 517 HD13 ILE 67 2HD1 ILE 67 -1.360 -2.978 0.180 518 H ARG 68 H ARG 68 2.782 -6.326 4.176 519 HA ARG 68 HA ARG 68 3.332 -8.648 2.855 520 HB2 ARG 68 1HB ARG 68 3.243 -7.918 5.743 521 HB3 ARG 68 2HB ARG 68 3.435 -9.616 5.328 522 HG2 ARG 68 1HG ARG 68 5.598 -8.664 5.662 523 HG3 ARG 68 2HG ARG 68 5.398 -8.998 3.941 524 HD2 ARG 68 1HD ARG 68 5.063 -6.719 3.435 525 HD3 ARG 68 2HD ARG 68 4.819 -6.300 5.130 526 HE ARG 68 HE ARG 68 7.082 -6.105 5.356 527 HH11 ARG 68 2HH1 ARG 68 6.399 -7.966 2.495 528 HH12 ARG 68 1HH1 ARG 68 8.052 -8.026 1.981 529 HH21 ARG 68 2HH2 ARG 68 9.262 -6.176 4.690 530 HH22 ARG 68 1HH2 ARG 68 9.680 -7.007 3.230 531 H GLY 69 H GLY 69 2.280 -10.462 2.326 532 HA2 GLY 69 1HA GLY 69 0.440 -11.810 1.952 533 HA3 GLY 69 2HA GLY 69 0.465 -11.929 3.706 534 H ALA 70 H ALA 70 -0.817 -10.028 1.011 535 HA ALA 70 HA ALA 70 -2.743 -8.672 2.660 536 HB1 ALA 70 3HB ALA 70 -2.069 -7.417 0.818 537 HB2 ALA 70 1HB ALA 70 -2.220 -8.782 -0.289 538 HB3 ALA 70 2HB ALA 70 -3.666 -8.004 0.353 539 H SER 71 H SER 71 -4.229 -9.962 3.595 540 HA SER 71 HA SER 71 -5.432 -12.161 2.147 541 HB2 SER 71 1HB SER 71 -5.705 -11.093 4.949 542 HB3 SER 71 2HB SER 71 -6.814 -12.314 4.326 543 HG SER 71 HG SER 71 -5.185 -13.744 4.181 544 H LEU 72 H LEU 72 -7.782 -12.397 1.988 545 HA LEU 72 HA LEU 72 -9.048 -10.552 0.489 546 HB2 LEU 72 1HB LEU 72 -10.419 -12.226 2.588 547 HB3 LEU 72 2HB LEU 72 -11.171 -11.526 1.156 548 HG LEU 72 HG LEU 72 -8.949 -13.541 0.965 549 HD11 LEU 72 1HD1 LEU 72 -10.744 -15.223 0.595 550 HD12 LEU 72 2HD1 LEU 72 -11.913 -14.036 1.174 551 HD13 LEU 72 3HD1 LEU 72 -10.649 -14.627 2.252 552 HD21 LEU 72 3HD2 LEU 72 -9.803 -11.995 -0.958 553 HD22 LEU 72 1HD2 LEU 72 -11.155 -13.128 -1.002 554 HD23 LEU 72 2HD2 LEU 72 -9.509 -13.708 -1.261 555 H LYS 73 H LYS 73 -8.748 -10.499 3.976 556 HA LYS 73 HA LYS 73 -10.637 -8.441 4.464 557 HB2 LYS 73 1HB LYS 73 -9.804 -9.984 6.212 558 HB3 LYS 73 2HB LYS 73 -8.220 -9.227 6.103 559 HG2 LYS 73 1HG LYS 73 -9.177 -8.221 7.957 560 HG3 LYS 73 2HG LYS 73 -9.451 -7.044 6.670 561 HD2 LYS 73 1HD LYS 73 -11.722 -8.163 6.360 562 HD3 LYS 73 2HD LYS 73 -11.415 -8.957 7.907 563 HE2 LYS 73 1HE LYS 73 -11.081 -6.706 8.917 564 HE3 LYS 73 2HE LYS 73 -11.566 -5.991 7.381 565 HZ1 LYS 73 3HZ LYS 73 -13.714 -7.051 7.589 566 HZ2 LYS 73 1HZ LYS 73 -13.404 -6.109 8.960 567 HZ3 LYS 73 2HZ LYS 73 -13.250 -7.791 9.037 568 H ASP 74 H ASP 74 -7.080 -8.384 4.259 569 HA ASP 74 HA ASP 74 -6.479 -5.798 4.690 570 HB2 ASP 74 1HB ASP 74 -5.048 -7.811 3.726 571 HB3 ASP 74 2HB ASP 74 -5.326 -6.975 2.200 572 H ALA 75 H ALA 75 -8.208 -7.049 1.924 573 HA ALA 75 HA ALA 75 -8.030 -4.921 0.157 574 HB1 ALA 75 3HB ALA 75 -9.537 -7.281 0.360 575 HB2 ALA 75 1HB ALA 75 -10.696 -5.973 0.127 576 HB3 ALA 75 2HB ALA 75 -9.389 -6.210 -1.033 577 H GLY 76 H GLY 76 -8.520 -2.847 0.401 578 HA2 GLY 76 1HA GLY 76 -11.041 -2.015 1.491 579 HA3 GLY 76 2HA GLY 76 -9.696 -1.643 2.558 580 H GLU 77 H GLU 77 -9.771 0.561 2.386 581 HA GLU 77 HA GLU 77 -9.117 1.650 -0.272 582 HB2 GLU 77 1HB GLU 77 -11.359 2.332 0.158 583 HB3 GLU 77 2HB GLU 77 -10.981 2.766 1.819 584 HG2 GLU 77 1HG GLU 77 -9.395 4.501 0.793 585 HG3 GLU 77 2HG GLU 77 -10.279 4.212 -0.705 586 H TYR 78 H TYR 78 -7.179 2.554 -0.313 587 HA TYR 78 HA TYR 78 -5.983 3.461 2.211 588 HB2 TYR 78 1HB TYR 78 -4.671 2.790 -0.431 589 HB3 TYR 78 2HB TYR 78 -3.823 3.293 1.027 590 HD1 TYR 78 2HD TYR 78 -5.664 0.566 -0.593 591 HD2 TYR 78 1HD TYR 78 -3.533 1.771 2.887 592 HE1 TYR 78 2HE TYR 78 -5.531 -1.780 0.131 593 HE2 TYR 78 1HE TYR 78 -3.393 -0.572 3.620 594 HH TYR 78 HH TYR 78 -5.210 -2.890 2.727 595 H THR 79 H THR 79 -6.185 5.563 2.572 596 HA THR 79 HA THR 79 -6.117 7.414 0.285 597 HB THR 79 HB THR 79 -7.294 7.758 3.046 598 HG1 THR 79 1HG THR 79 -9.162 7.468 2.043 599 HG21 THR 79 3HG2 THR 79 -7.179 9.971 2.826 600 HG22 THR 79 1HG2 THR 79 -7.955 9.885 1.246 601 HG23 THR 79 2HG2 THR 79 -6.201 9.753 1.375 602 H CYS 80 H CYS 80 -4.109 8.150 -0.017 603 HA CYS 80 HA CYS 80 -2.294 8.519 2.206 604 HB2 CYS 80 1HB CYS 80 -2.090 8.534 -0.754 605 HB3 CYS 80 2HB CYS 80 -0.929 9.528 0.118 606 HG CYS 80 HG CYS 80 -0.179 7.246 1.763 607 H GLU 81 H GLU 81 -3.334 10.181 3.373 608 HA GLU 81 HA GLU 81 -3.869 12.720 2.121 609 HB2 GLU 81 1HB GLU 81 -5.063 11.623 4.163 610 HB3 GLU 81 2HB GLU 81 -3.735 12.308 5.089 611 HG2 GLU 81 1HG GLU 81 -4.385 14.514 3.871 612 HG3 GLU 81 2HG GLU 81 -5.922 13.691 3.611 613 H VAL 82 H VAL 82 -2.143 13.847 1.456 614 HA VAL 82 HA VAL 82 0.349 13.830 2.902 615 HB VAL 82 HB VAL 82 -0.051 14.090 0.327 616 HG11 VAL 82 1HG1 VAL 82 -1.466 16.045 0.419 617 HG12 VAL 82 2HG1 VAL 82 -0.217 16.947 1.279 618 HG13 VAL 82 3HG1 VAL 82 0.046 16.451 -0.393 619 HG21 VAL 82 3HG2 VAL 82 2.161 14.293 0.371 620 HG22 VAL 82 1HG2 VAL 82 2.027 15.978 0.873 621 HG23 VAL 82 2HG2 VAL 82 2.064 14.698 2.085 622 H GLU 83 H GLU 83 1.383 16.217 2.996 623 HA GLU 83 HA GLU 83 0.713 17.478 5.215 624 HB2 GLU 83 1HB GLU 83 1.089 19.423 3.023 625 HB3 GLU 83 2HB GLU 83 1.976 19.236 4.530 626 HG2 GLU 83 1HG GLU 83 2.299 17.558 2.053 627 HG3 GLU 83 2HG GLU 83 3.408 18.799 2.631 628 H ALA 84 H ALA 84 -0.679 18.653 2.145 629 HA ALA 84 HA ALA 84 -3.064 19.487 3.666 630 HB1 ALA 84 3HB ALA 84 -2.580 20.814 1.091 631 HB2 ALA 84 1HB ALA 84 -3.094 21.485 2.640 632 HB3 ALA 84 2HB ALA 84 -1.386 21.153 2.344 633 H SER 85 H SER 85 -1.884 18.244 0.567 634 HA SER 85 HA SER 85 -4.520 17.729 -0.445 635 HB2 SER 85 1HB SER 85 -2.257 18.131 -1.734 636 HB3 SER 85 2HB SER 85 -2.086 16.385 -1.557 637 HG SER 85 HG SER 85 -4.135 17.824 -2.873 638 H LYS 86 H LYS 86 -4.771 15.353 -1.413 639 HA LYS 86 HA LYS 86 -3.828 13.202 0.186 640 HB2 LYS 86 1HB LYS 86 -5.757 12.639 1.436 641 HB3 LYS 86 2HB LYS 86 -5.490 14.353 1.722 642 HG2 LYS 86 1HG LYS 86 -7.369 14.978 0.606 643 HG3 LYS 86 2HG LYS 86 -7.307 13.600 -0.496 644 HD2 LYS 86 1HD LYS 86 -8.091 12.122 1.252 645 HD3 LYS 86 2HD LYS 86 -8.043 13.438 2.427 646 HE2 LYS 86 1HE LYS 86 -9.835 14.564 1.384 647 HE3 LYS 86 2HE LYS 86 -9.721 13.566 -0.064 648 HZ1 LYS 86 3HZ LYS 86 -10.425 12.448 2.586 649 HZ2 LYS 86 1HZ LYS 86 -10.609 11.725 1.068 650 HZ3 LYS 86 2HZ LYS 86 -11.590 13.030 1.506 651 H SER 87 H SER 87 -4.401 11.189 -0.651 652 HA SER 87 HA SER 87 -5.921 11.290 -3.174 653 HB2 SER 87 1HB SER 87 -3.526 10.834 -3.520 654 HB3 SER 87 2HB SER 87 -3.633 9.447 -2.437 655 HG SER 87 HG SER 87 -4.458 9.718 -5.057 656 H THR 88 H THR 88 -6.373 8.745 -3.743 657 HA THR 88 HA THR 88 -7.288 7.231 -1.475 658 HB THR 88 HB THR 88 -9.407 8.243 -3.374 659 HG1 THR 88 1HG THR 88 -8.519 9.224 -0.875 660 HG21 THR 88 3HG2 THR 88 -10.558 6.543 -2.492 661 HG22 THR 88 1HG2 THR 88 -10.540 7.431 -0.969 662 HG23 THR 88 2HG2 THR 88 -9.301 6.220 -1.299 663 H ALA 89 H ALA 89 -7.465 5.105 -1.956 664 HA ALA 89 HA ALA 89 -7.771 4.270 -4.736 665 HB1 ALA 89 3HB ALA 89 -5.247 4.431 -3.603 666 HB2 ALA 89 1HB ALA 89 -5.673 2.724 -3.475 667 HB3 ALA 89 2HB ALA 89 -5.697 3.524 -5.047 668 H SER 90 H SER 90 -8.257 1.988 -4.961 669 HA SER 90 HA SER 90 -9.316 0.792 -2.485 670 HB2 SER 90 1HB SER 90 -10.551 0.761 -5.249 671 HB3 SER 90 2HB SER 90 -11.146 -0.175 -3.878 672 HG SER 90 HG SER 90 -10.853 2.642 -3.820 673 H LEU 91 H LEU 91 -8.227 -0.983 -1.992 674 HA LEU 91 HA LEU 91 -6.673 -2.401 -3.954 675 HB2 LEU 91 1HB LEU 91 -5.657 -2.271 -1.860 676 HB3 LEU 91 2HB LEU 91 -7.142 -2.694 -1.011 677 HG LEU 91 HG LEU 91 -6.897 -5.011 -1.982 678 HD11 LEU 91 1HD1 LEU 91 -5.165 -4.034 -3.697 679 HD12 LEU 91 2HD1 LEU 91 -5.012 -5.682 -3.090 680 HD13 LEU 91 3HD1 LEU 91 -4.017 -4.396 -2.408 681 HD21 LEU 91 3HD2 LEU 91 -6.117 -5.471 0.042 682 HD22 LEU 91 1HD2 LEU 91 -5.654 -3.781 0.238 683 HD23 LEU 91 2HD2 LEU 91 -4.505 -4.938 -0.435 684 H HIS 92 H HIS 92 -6.841 -4.719 -4.310 685 HA HIS 92 HA HIS 92 -9.486 -5.874 -3.828 686 HB2 HIS 92 1HB HIS 92 -8.192 -5.627 -6.550 687 HB3 HIS 92 2HB HIS 92 -9.584 -6.649 -6.206 688 HD1 HIS 92 1HD HIS 92 -11.753 -5.276 -5.278 689 HD2 HIS 92 2HD HIS 92 -8.826 -3.082 -7.248 690 HE1 HIS 92 1HE HIS 92 -12.861 -3.116 -5.936 691 HE2 HIS 92 2HE HIS 92 -11.095 -1.841 -7.201 692 H VAL 93 H VAL 93 -9.380 -7.950 -3.242 693 HA VAL 93 HA VAL 93 -7.062 -9.556 -4.038 694 HB VAL 93 HB VAL 93 -6.278 -8.953 -1.937 695 HG11 VAL 93 1HG1 VAL 93 -8.033 -7.672 -1.049 696 HG12 VAL 93 2HG1 VAL 93 -9.148 -9.040 -1.054 697 HG13 VAL 93 3HG1 VAL 93 -7.813 -8.993 0.099 698 HG21 VAL 93 3HG2 VAL 93 -6.296 -11.368 -2.159 699 HG22 VAL 93 1HG2 VAL 93 -6.582 -10.915 -0.479 700 HG23 VAL 93 2HG2 VAL 93 -7.927 -11.440 -1.491 701 H GLU 94 H GLU 94 -7.566 -11.604 -4.551 702 HA GLU 94 HA GLU 94 -9.931 -12.881 -3.475 703 HB2 GLU 94 1HB GLU 94 -9.684 -12.111 -6.375 704 HB3 GLU 94 2HB GLU 94 -10.695 -13.454 -5.858 705 HG2 GLU 94 1HG GLU 94 -11.839 -11.809 -4.307 706 HG3 GLU 94 2HG GLU 94 -10.994 -10.543 -5.197 707 H GLU 95 H GLU 95 -9.724 -15.056 -3.385 708 HA GLU 95 HA GLU 95 -7.174 -16.186 -4.082 709 HB2 GLU 95 1HB GLU 95 -8.766 -16.701 -2.046 710 HB3 GLU 95 2HB GLU 95 -9.478 -17.855 -3.164 711 HG2 GLU 95 1HG GLU 95 -7.625 -19.187 -3.195 712 HG3 GLU 95 2HG GLU 95 -6.528 -17.860 -2.817 713 H LYS 96 H LYS 96 -7.138 -18.409 -5.146 714 HA LYS 96 HA LYS 96 -8.500 -18.171 -7.706 715 HB2 LYS 96 1HB LYS 96 -6.258 -19.911 -6.697 716 HB3 LYS 96 2HB LYS 96 -7.015 -20.185 -8.261 717 HG2 LYS 96 1HG LYS 96 -5.190 -18.894 -8.813 718 HG3 LYS 96 2HG LYS 96 -6.473 -17.688 -8.684 719 HD2 LYS 96 1HD LYS 96 -5.654 -16.833 -6.708 720 HD3 LYS 96 2HD LYS 96 -4.841 -18.338 -6.272 721 HE2 LYS 96 1HE LYS 96 -3.949 -16.751 -8.650 722 HE3 LYS 96 2HE LYS 96 -3.423 -16.308 -7.027 723 HZ1 LYS 96 3HZ LYS 96 -2.005 -17.925 -8.438 724 HZ2 LYS 96 1HZ LYS 96 -3.130 -19.088 -7.943 725 HZ3 LYS 96 2HZ LYS 96 -2.228 -18.240 -6.791 726 H ALA 97 H ALA 97 -10.622 -18.745 -7.173 727 HA ALA 97 HA ALA 97 -11.030 -21.625 -6.911 728 HB1 ALA 97 3HB ALA 97 -11.262 -20.077 -4.684 729 HB2 ALA 97 1HB ALA 97 -12.919 -20.079 -5.290 730 HB3 ALA 97 2HB ALA 97 -12.104 -21.605 -4.943 731 H SER 98 H SER 98 -12.659 -22.364 -8.149 732 HA SER 98 HA SER 98 -14.072 -20.439 -9.804 733 HB2 SER 98 1HB SER 98 -12.955 -22.594 -10.654 734 HB3 SER 98 2HB SER 98 -14.343 -23.437 -9.967 735 HG SER 98 HG SER 98 -14.242 -22.418 -12.317 736 H GLY 99 H GLY 99 -15.029 -20.014 -7.395 737 HA2 GLY 99 1HA GLY 99 -17.057 -19.785 -6.322 738 HA3 GLY 99 2HA GLY 99 -17.791 -20.703 -7.629 739 HA PRO 100 HA PRO 100 -17.222 -23.196 -3.574 740 HB2 PRO 100 1HB PRO 100 -19.677 -22.854 -2.468 741 HB3 PRO 100 2HB PRO 100 -18.304 -21.803 -2.102 742 HG2 PRO 100 1HG PRO 100 -20.580 -21.356 -3.995 743 HG3 PRO 100 2HG PRO 100 -19.836 -20.222 -2.853 744 HD2 PRO 100 1HD PRO 100 -19.264 -20.210 -5.499 745 HD3 PRO 100 2HD PRO 100 -18.071 -19.765 -4.262 746 H SER 101 H SER 101 -19.387 -22.910 -6.194 747 HA SER 101 HA SER 101 -20.788 -25.391 -5.685 748 HB2 SER 101 1HB SER 101 -21.886 -24.958 -7.846 749 HB3 SER 101 2HB SER 101 -21.958 -23.540 -6.799 750 HG SER 101 HG SER 101 -20.947 -22.491 -8.297 751 H SER 102 H SER 102 -19.045 -26.867 -5.603 752 HA SER 102 HA SER 102 -18.062 -27.633 -8.261 753 HB2 SER 102 1HB SER 102 -16.278 -26.389 -7.011 754 HB3 SER 102 2HB SER 102 -16.332 -27.648 -5.777 755 HG SER 102 HG SER 102 -15.466 -29.069 -7.159 756 H GLY 103 H GLY 103 -18.867 -29.583 -8.655 757 HA2 GLY 103 1HA GLY 103 -18.247 -31.905 -7.364 758 HA3 GLY 103 2HA GLY 103 -19.693 -31.345 -6.538 Start of MODEL 9 1 H1 GLY 1 H GLY 1 11.603 31.609 2.925 2 HA2 GLY 1 1HA GLY 1 9.642 30.296 1.244 3 HA3 GLY 1 2HA GLY 1 10.593 31.529 0.429 4 H SER 2 H SER 2 10.582 28.798 -0.279 5 HA SER 2 HA SER 2 12.803 27.413 0.818 6 HB2 SER 2 1HB SER 2 12.536 25.882 -1.071 7 HB3 SER 2 2HB SER 2 10.963 26.274 -0.378 8 HG SER 2 HG SER 2 12.054 26.974 -2.843 9 H SER 3 H SER 3 14.911 27.576 0.403 10 HA SER 3 HA SER 3 16.170 29.653 -0.756 11 HB2 SER 3 1HB SER 3 17.291 27.808 0.493 12 HB3 SER 3 2HB SER 3 17.181 26.806 -0.954 13 HG SER 3 HG SER 3 18.284 28.866 -1.886 14 H GLY 4 H GLY 4 15.252 26.668 -2.460 15 HA2 GLY 4 1HA GLY 4 16.166 27.682 -5.000 16 HA3 GLY 4 2HA GLY 4 15.313 26.170 -4.723 17 H SER 5 H SER 5 13.613 26.184 -6.046 18 HA SER 5 HA SER 5 12.089 28.657 -6.401 19 HB2 SER 5 1HB SER 5 10.995 27.471 -8.268 20 HB3 SER 5 2HB SER 5 12.751 27.460 -8.436 21 HG SER 5 HG SER 5 12.784 25.357 -8.120 22 H SER 6 H SER 6 9.817 28.721 -6.143 23 HA SER 6 HA SER 6 8.858 27.453 -3.825 24 HB2 SER 6 1HB SER 6 8.040 29.641 -4.760 25 HB3 SER 6 2HB SER 6 7.174 28.725 -5.992 26 HG SER 6 HG SER 6 6.423 29.264 -3.493 27 H GLY 7 H GLY 7 8.757 25.270 -3.808 28 HA2 GLY 7 1HA GLY 7 6.995 24.022 -5.823 29 HA3 GLY 7 2HA GLY 7 8.500 23.261 -5.330 30 HA PRO 8 HA PRO 8 4.894 22.789 -2.080 31 HB2 PRO 8 1HB PRO 8 2.833 21.551 -3.341 32 HB3 PRO 8 2HB PRO 8 2.942 23.308 -3.174 33 HG2 PRO 8 1HG PRO 8 3.641 21.580 -5.517 34 HG3 PRO 8 2HG PRO 8 2.779 23.129 -5.487 35 HD2 PRO 8 1HD PRO 8 5.398 22.932 -6.145 36 HD3 PRO 8 2HD PRO 8 4.725 24.353 -5.320 37 H ALA 9 H ALA 9 3.760 20.600 -1.478 38 HA ALA 9 HA ALA 9 5.438 18.373 -2.431 39 HB1 ALA 9 3HB ALA 9 4.507 18.264 0.367 40 HB2 ALA 9 1HB ALA 9 6.037 17.749 -0.345 41 HB3 ALA 9 2HB ALA 9 5.757 19.455 0.005 42 H ALA 10 H ALA 10 2.707 19.240 -3.172 43 HA ALA 10 HA ALA 10 0.834 17.455 -1.979 44 HB1 ALA 10 3HB ALA 10 -0.137 19.343 -2.929 45 HB2 ALA 10 1HB ALA 10 0.798 19.195 -4.418 46 HB3 ALA 10 2HB ALA 10 -0.517 18.067 -4.086 47 H ILE 11 H ILE 11 -0.439 15.906 -3.447 48 HA ILE 11 HA ILE 11 1.496 14.066 -4.624 49 HB ILE 11 HB ILE 11 -1.434 13.627 -4.041 50 HG12 ILE 11 1HG1 ILE 11 0.863 12.492 -2.467 51 HG13 ILE 11 2HG1 ILE 11 0.200 14.076 -2.080 52 HG21 ILE 11 1HG2 ILE 11 -0.047 11.203 -4.069 53 HG22 ILE 11 2HG2 ILE 11 -1.195 11.793 -5.269 54 HG23 ILE 11 3HG2 ILE 11 0.530 12.093 -5.477 55 HD11 ILE 11 3HD1 ILE 11 -0.651 11.751 -1.007 56 HD12 ILE 11 1HD1 ILE 11 -1.634 13.210 -1.134 57 HD13 ILE 11 2HD1 ILE 11 -1.785 11.935 -2.344 58 H ILE 12 H ILE 12 1.888 14.281 -6.723 59 HA ILE 12 HA ILE 12 -0.115 15.391 -8.506 60 HB ILE 12 HB ILE 12 1.825 14.855 -10.212 61 HG12 ILE 12 1HG1 ILE 12 3.002 13.630 -8.204 62 HG13 ILE 12 2HG1 ILE 12 3.951 14.574 -9.347 63 HG21 ILE 12 1HG2 ILE 12 1.288 17.080 -9.964 64 HG22 ILE 12 2HG2 ILE 12 1.572 17.065 -8.225 65 HG23 ILE 12 3HG2 ILE 12 2.938 17.051 -9.341 66 HD11 ILE 12 3HD1 ILE 12 4.551 16.067 -7.796 67 HD12 ILE 12 1HD1 ILE 12 2.952 16.091 -7.053 68 HD13 ILE 12 2HD1 ILE 12 4.091 14.804 -6.655 69 H LYS 13 H LYS 13 1.497 12.322 -7.906 70 HA LYS 13 HA LYS 13 -0.175 11.070 -9.979 71 HB2 LYS 13 1HB LYS 13 2.390 10.121 -8.692 72 HB3 LYS 13 2HB LYS 13 1.439 9.168 -9.823 73 HG2 LYS 13 1HG LYS 13 1.777 10.912 -11.532 74 HG3 LYS 13 2HG LYS 13 2.800 11.793 -10.395 75 HD2 LYS 13 1HD LYS 13 4.381 9.976 -10.334 76 HD3 LYS 13 2HD LYS 13 3.320 8.970 -11.323 77 HE2 LYS 13 1HE LYS 13 4.279 11.619 -12.334 78 HE3 LYS 13 2HE LYS 13 5.317 10.197 -12.435 79 HZ1 LYS 13 3HZ LYS 13 3.609 9.070 -13.702 80 HZ2 LYS 13 1HZ LYS 13 4.026 10.525 -14.458 81 HZ3 LYS 13 2HZ LYS 13 2.585 10.411 -13.581 82 HA PRO 14 HA PRO 14 -2.332 9.653 -6.249 83 HB2 PRO 14 1HB PRO 14 -4.619 9.013 -7.565 84 HB3 PRO 14 2HB PRO 14 -4.229 10.662 -7.062 85 HG2 PRO 14 1HG PRO 14 -3.920 9.379 -9.748 86 HG3 PRO 14 2HG PRO 14 -4.527 10.994 -9.344 87 HD2 PRO 14 1HD PRO 14 -2.005 10.567 -10.231 88 HD3 PRO 14 2HD PRO 14 -2.409 11.865 -9.090 89 H LEU 15 H LEU 15 -3.224 7.581 -5.634 90 HA LEU 15 HA LEU 15 -1.768 5.394 -6.726 91 HB2 LEU 15 1HB LEU 15 -4.124 5.163 -4.879 92 HB3 LEU 15 2HB LEU 15 -2.743 4.079 -5.031 93 HG LEU 15 HG LEU 15 -2.360 6.888 -4.066 94 HD11 LEU 15 1HD1 LEU 15 -2.818 6.304 -1.838 95 HD12 LEU 15 2HD1 LEU 15 -2.949 4.589 -2.226 96 HD13 LEU 15 3HD1 LEU 15 -4.197 5.712 -2.764 97 HD21 LEU 15 3HD2 LEU 15 -0.266 6.195 -3.850 98 HD22 LEU 15 1HD2 LEU 15 -0.719 4.617 -4.494 99 HD23 LEU 15 2HD2 LEU 15 -0.791 4.913 -2.757 100 H GLU 16 H GLU 16 -3.053 3.253 -7.120 101 HA GLU 16 HA GLU 16 -5.467 3.730 -8.699 102 HB2 GLU 16 1HB GLU 16 -3.015 2.320 -9.769 103 HB3 GLU 16 2HB GLU 16 -4.574 2.392 -10.577 104 HG2 GLU 16 1HG GLU 16 -4.376 4.673 -11.020 105 HG3 GLU 16 2HG GLU 16 -3.095 4.884 -9.828 106 H ASP 17 H ASP 17 -6.885 2.038 -8.727 107 HA ASP 17 HA ASP 17 -6.974 0.224 -6.689 108 HB2 ASP 17 1HB ASP 17 -8.120 -0.112 -9.470 109 HB3 ASP 17 2HB ASP 17 -8.596 -1.057 -8.062 110 H GLN 18 H GLN 18 -6.017 -1.645 -6.188 111 HA GLN 18 HA GLN 18 -4.243 -2.854 -8.198 112 HB2 GLN 18 1HB GLN 18 -4.154 -3.149 -5.191 113 HB3 GLN 18 2HB GLN 18 -2.975 -3.775 -6.337 114 HG2 GLN 18 1HG GLN 18 -3.566 -0.845 -6.119 115 HG3 GLN 18 2HG GLN 18 -2.389 -1.644 -5.077 116 HE21 GLN 18 1HE2 GLN 18 -1.525 0.357 -6.632 117 HE22 GLN 18 2HE2 GLN 18 -0.566 -0.244 -7.937 118 H TRP 19 H TRP 19 -4.274 -5.056 -8.580 119 HA TRP 19 HA TRP 19 -6.479 -6.559 -7.335 120 HB2 TRP 19 1HB TRP 19 -5.776 -6.253 -10.232 121 HB3 TRP 19 2HB TRP 19 -6.525 -7.746 -9.673 122 HD1 TRP 19 HD TRP 19 -9.048 -7.553 -8.693 123 HE1 TRP 19 1HE TRP 19 -10.905 -5.834 -9.162 124 HE3 TRP 19 3HE TRP 19 -6.208 -3.833 -10.749 125 HZ2 TRP 19 2HZ TRP 19 -11.135 -3.243 -10.260 126 HZ3 TRP 19 3HZ TRP 19 -7.324 -1.766 -11.483 127 HH2 TRP 19 HH TRP 19 -9.737 -1.480 -11.244 128 H VAL 20 H VAL 20 -5.276 -7.786 -5.958 129 HA VAL 20 HA VAL 20 -3.256 -9.544 -7.193 130 HB VAL 20 HB VAL 20 -2.049 -9.604 -5.082 131 HG11 VAL 20 1HG1 VAL 20 -2.299 -6.691 -5.368 132 HG12 VAL 20 2HG1 VAL 20 -0.885 -7.734 -5.535 133 HG13 VAL 20 3HG1 VAL 20 -2.023 -7.567 -6.873 134 HG21 VAL 20 3HG2 VAL 20 -2.649 -8.235 -3.196 135 HG22 VAL 20 1HG2 VAL 20 -4.006 -7.539 -4.082 136 HG23 VAL 20 2HG2 VAL 20 -4.030 -9.243 -3.627 137 H ALA 21 H ALA 21 -2.822 -11.385 -5.346 138 HA ALA 21 HA ALA 21 -5.462 -12.624 -4.955 139 HB1 ALA 21 3HB ALA 21 -4.552 -14.338 -6.040 140 HB2 ALA 21 1HB ALA 21 -2.944 -13.616 -5.962 141 HB3 ALA 21 2HB ALA 21 -3.535 -14.600 -4.623 142 HA PRO 22 HA PRO 22 -5.049 -12.742 -0.589 143 HB2 PRO 22 1HB PRO 22 -6.006 -15.205 0.033 144 HB3 PRO 22 2HB PRO 22 -7.041 -13.884 -0.521 145 HG2 PRO 22 1HG PRO 22 -5.923 -16.191 -2.067 146 HG3 PRO 22 2HG PRO 22 -7.554 -15.497 -2.116 147 HD2 PRO 22 1HD PRO 22 -5.679 -14.942 -3.989 148 HD3 PRO 22 2HD PRO 22 -6.913 -13.765 -3.495 149 H GLY 23 H GLY 23 -2.720 -12.686 -0.532 150 HA2 GLY 23 1HA GLY 23 -1.354 -14.207 1.106 151 HA3 GLY 23 2HA GLY 23 -1.372 -15.278 -0.288 152 H GLU 24 H GLU 24 -1.350 -12.525 -1.829 153 HA GLU 24 HA GLU 24 1.549 -12.502 -2.088 154 HB2 GLU 24 1HB GLU 24 -0.424 -10.883 -3.692 155 HB3 GLU 24 2HB GLU 24 1.225 -11.313 -4.124 156 HG2 GLU 24 1HG GLU 24 0.246 -13.764 -3.905 157 HG3 GLU 24 2HG GLU 24 -1.258 -12.921 -4.269 158 H ASP 25 H ASP 25 2.508 -10.236 -2.543 159 HA ASP 25 HA ASP 25 1.728 -8.517 -0.294 160 HB2 ASP 25 1HB ASP 25 4.029 -7.503 -0.672 161 HB3 ASP 25 2HB ASP 25 4.003 -9.170 -0.101 162 H VAL 26 H VAL 26 1.105 -6.444 -0.575 163 HA VAL 26 HA VAL 26 0.835 -5.508 -3.350 164 HB VAL 26 HB VAL 26 -0.699 -4.774 -0.858 165 HG11 VAL 26 1HG1 VAL 26 -2.071 -3.406 -2.555 166 HG12 VAL 26 2HG1 VAL 26 -0.555 -2.726 -1.959 167 HG13 VAL 26 3HG1 VAL 26 -0.621 -3.471 -3.556 168 HG21 VAL 26 3HG2 VAL 26 -1.847 -5.801 -3.425 169 HG22 VAL 26 1HG2 VAL 26 -1.157 -6.914 -2.243 170 HG23 VAL 26 2HG2 VAL 26 -2.513 -5.879 -1.794 171 H GLU 27 H GLU 27 1.550 -3.500 -3.971 172 HA GLU 27 HA GLU 27 2.994 -1.908 -1.963 173 HB2 GLU 27 1HB GLU 27 3.990 -2.518 -4.752 174 HB3 GLU 27 2HB GLU 27 4.795 -1.502 -3.565 175 HG2 GLU 27 1HG GLU 27 5.217 -3.371 -2.144 176 HG3 GLU 27 2HG GLU 27 4.218 -4.423 -3.145 177 H LEU 28 H LEU 28 1.912 -0.055 -1.831 178 HA LEU 28 HA LEU 28 0.739 1.098 -4.259 179 HB2 LEU 28 1HB LEU 28 0.303 1.863 -1.377 180 HB3 LEU 28 2HB LEU 28 -0.576 2.492 -2.770 181 HG LEU 28 HG LEU 28 -0.642 -0.430 -2.101 182 HD11 LEU 28 1HD1 LEU 28 -2.782 1.393 -1.126 183 HD12 LEU 28 2HD1 LEU 28 -1.313 1.217 -0.168 184 HD13 LEU 28 3HD1 LEU 28 -2.296 -0.198 -0.539 185 HD21 LEU 28 3HD2 LEU 28 -1.542 0.006 -4.220 186 HD22 LEU 28 1HD2 LEU 28 -2.340 1.482 -3.674 187 HD23 LEU 28 2HD2 LEU 28 -2.944 -0.091 -3.152 188 H ARG 29 H ARG 29 2.363 2.189 -5.257 189 HA ARG 29 HA ARG 29 4.038 4.001 -3.695 190 HB2 ARG 29 1HB ARG 29 4.157 3.256 -6.624 191 HB3 ARG 29 2HB ARG 29 5.323 4.266 -5.779 192 HG2 ARG 29 1HG ARG 29 5.936 2.386 -4.354 193 HG3 ARG 29 2HG ARG 29 4.750 1.371 -5.178 194 HD2 ARG 29 1HD ARG 29 7.118 2.706 -6.486 195 HD3 ARG 29 2HD ARG 29 7.041 1.011 -6.007 196 HE ARG 29 HE ARG 29 4.883 1.357 -7.639 197 HH11 ARG 29 2HH1 ARG 29 8.309 1.889 -7.943 198 HH12 ARG 29 1HH1 ARG 29 8.336 1.590 -9.650 199 HH21 ARG 29 2HH2 ARG 29 4.905 0.961 -9.885 200 HH22 ARG 29 1HH2 ARG 29 6.399 1.064 -10.754 201 H CYS 30 H CYS 30 4.308 6.219 -4.302 202 HA CYS 30 HA CYS 30 2.225 7.373 -5.995 203 HB2 CYS 30 1HB CYS 30 1.289 8.739 -4.379 204 HB3 CYS 30 2HB CYS 30 1.606 7.280 -3.448 205 HG CYS 30 HG CYS 30 2.250 9.362 -1.782 206 H GLU 31 H GLU 31 2.606 9.958 -5.822 207 HA GLU 31 HA GLU 31 5.497 10.449 -6.004 208 HB2 GLU 31 1HB GLU 31 4.357 10.047 -8.268 209 HB3 GLU 31 2HB GLU 31 3.558 11.591 -8.004 210 HG2 GLU 31 1HG GLU 31 5.342 12.303 -9.203 211 HG3 GLU 31 2HG GLU 31 6.037 12.397 -7.586 212 H LEU 32 H LEU 32 6.176 12.449 -5.346 213 HA LEU 32 HA LEU 32 4.104 14.349 -4.476 214 HB2 LEU 32 1HB LEU 32 6.642 13.992 -2.936 215 HB3 LEU 32 2HB LEU 32 5.116 14.701 -2.415 216 HG LEU 32 HG LEU 32 5.320 11.772 -3.018 217 HD11 LEU 32 1HD1 LEU 32 6.735 13.150 -0.955 218 HD12 LEU 32 2HD1 LEU 32 6.669 11.422 -1.297 219 HD13 LEU 32 3HD1 LEU 32 5.469 12.156 -0.235 220 HD21 LEU 32 3HD2 LEU 32 3.600 12.032 -0.982 221 HD22 LEU 32 1HD2 LEU 32 3.118 12.159 -2.674 222 HD23 LEU 32 2HD2 LEU 32 3.408 13.619 -1.728 223 H SER 33 H SER 33 4.502 16.474 -4.860 224 HA SER 33 HA SER 33 6.401 17.171 -6.819 225 HB2 SER 33 1HB SER 33 4.367 18.450 -6.624 226 HB3 SER 33 2HB SER 33 4.747 18.891 -4.959 227 HG SER 33 HG SER 33 5.941 20.457 -5.679 228 H ARG 34 H ARG 34 6.846 16.560 -3.584 229 HA ARG 34 HA ARG 34 9.509 17.686 -3.646 230 HB2 ARG 34 1HB ARG 34 8.284 19.583 -2.781 231 HB3 ARG 34 2HB ARG 34 7.473 18.568 -1.596 232 HG2 ARG 34 1HG ARG 34 9.903 18.070 -0.784 233 HG3 ARG 34 2HG ARG 34 10.276 19.574 -1.627 234 HD2 ARG 34 1HD ARG 34 8.032 19.384 0.358 235 HD3 ARG 34 2HD ARG 34 9.689 19.712 0.861 236 HE ARG 34 HE ARG 34 8.943 21.489 -1.198 237 HH11 ARG 34 2HH1 ARG 34 8.353 20.831 2.170 238 HH12 ARG 34 1HH1 ARG 34 7.980 22.477 2.560 239 HH21 ARG 34 2HH2 ARG 34 8.453 23.659 -0.696 240 HH22 ARG 34 1HH2 ARG 34 8.036 24.085 0.929 241 H ALA 35 H ALA 35 10.932 16.552 -2.407 242 HA ALA 35 HA ALA 35 9.967 14.077 -1.259 243 HB1 ALA 35 3HB ALA 35 12.471 15.066 -2.313 244 HB2 ALA 35 1HB ALA 35 12.698 14.233 -0.775 245 HB3 ALA 35 2HB ALA 35 11.906 13.406 -2.118 246 H GLY 36 H GLY 36 11.359 13.418 0.824 247 HA2 GLY 36 1HA GLY 36 11.620 13.689 3.089 248 HA3 GLY 36 2HA GLY 36 11.947 15.382 2.749 249 H THR 37 H THR 37 8.950 14.408 1.548 250 HA THR 37 HA THR 37 7.599 15.864 3.689 251 HB THR 37 HB THR 37 6.875 15.148 0.876 252 HG1 THR 37 1HG THR 37 6.965 17.478 2.485 253 HG21 THR 37 3HG2 THR 37 4.865 14.448 1.769 254 HG22 THR 37 1HG2 THR 37 4.560 16.172 1.557 255 HG23 THR 37 2HG2 THR 37 4.976 15.540 3.150 256 HA PRO 38 HA PRO 38 6.148 12.119 5.547 257 HB2 PRO 38 1HB PRO 38 4.268 13.238 7.155 258 HB3 PRO 38 2HB PRO 38 6.001 13.334 7.492 259 HG2 PRO 38 1HG PRO 38 4.199 15.370 6.239 260 HG3 PRO 38 2HG PRO 38 5.469 15.597 7.455 261 HD2 PRO 38 1HD PRO 38 5.851 16.144 4.831 262 HD3 PRO 38 2HD PRO 38 7.156 15.561 5.885 263 H VAL 39 H VAL 39 4.244 10.813 5.651 264 HA VAL 39 HA VAL 39 2.020 11.701 3.942 265 HB VAL 39 HB VAL 39 3.623 10.157 2.729 266 HG11 VAL 39 1HG1 VAL 39 2.438 8.095 4.584 267 HG12 VAL 39 2HG1 VAL 39 3.547 7.795 3.244 268 HG13 VAL 39 3HG1 VAL 39 4.095 8.694 4.660 269 HG21 VAL 39 3HG2 VAL 39 1.670 8.618 1.989 270 HG22 VAL 39 1HG2 VAL 39 0.703 9.609 3.082 271 HG23 VAL 39 2HG2 VAL 39 1.544 10.357 1.724 272 H HIS 40 H HIS 40 -0.008 10.791 4.406 273 HA HIS 40 HA HIS 40 -0.166 9.466 7.034 274 HB2 HIS 40 1HB HIS 40 -1.150 11.889 6.555 275 HB3 HIS 40 2HB HIS 40 -2.503 10.953 5.926 276 HD1 HIS 40 1HD HIS 40 -2.741 12.738 8.460 277 HD2 HIS 40 2HD HIS 40 -1.988 8.652 8.495 278 HE1 HIS 40 1HE HIS 40 -3.496 11.934 10.721 279 HE2 HIS 40 2HE HIS 40 -2.951 9.475 10.750 280 H TRP 41 H TRP 41 -0.427 7.354 6.611 281 HA TRP 41 HA TRP 41 -2.049 6.462 4.384 282 HB2 TRP 41 1HB TRP 41 -0.484 4.976 6.499 283 HB3 TRP 41 2HB TRP 41 -1.426 4.172 5.247 284 HD1 TRP 41 HD TRP 41 1.875 5.898 5.844 285 HE1 TRP 41 1HE TRP 41 3.305 5.770 3.707 286 HE3 TRP 41 3HE TRP 41 -1.667 4.146 2.600 287 HZ2 TRP 41 2HZ TRP 41 2.975 5.026 1.005 288 HZ3 TRP 41 3HZ TRP 41 -1.029 3.754 0.257 289 HH2 TRP 41 HH TRP 41 1.244 4.186 -0.523 290 H LEU 42 H LEU 42 -4.189 6.567 4.621 291 HA LEU 42 HA LEU 42 -5.355 5.769 7.203 292 HB2 LEU 42 1HB LEU 42 -6.593 7.422 5.008 293 HB3 LEU 42 2HB LEU 42 -7.324 7.046 6.567 294 HG LEU 42 HG LEU 42 -4.723 8.493 6.547 295 HD11 LEU 42 1HD1 LEU 42 -6.248 10.615 6.510 296 HD12 LEU 42 2HD1 LEU 42 -7.318 9.582 5.564 297 HD13 LEU 42 3HD1 LEU 42 -5.677 9.899 5.002 298 HD21 LEU 42 3HD2 LEU 42 -7.203 8.823 8.227 299 HD22 LEU 42 1HD2 LEU 42 -5.595 9.473 8.547 300 HD23 LEU 42 2HD2 LEU 42 -5.874 7.733 8.625 301 H LYS 43 H LYS 43 -6.251 3.828 7.253 302 HA LYS 43 HA LYS 43 -7.158 2.615 4.734 303 HB2 LYS 43 1HB LYS 43 -5.499 1.281 5.844 304 HB3 LYS 43 2HB LYS 43 -6.355 1.394 7.377 305 HG2 LYS 43 1HG LYS 43 -7.964 -0.128 6.746 306 HG3 LYS 43 2HG LYS 43 -7.702 0.150 5.023 307 HD2 LYS 43 1HD LYS 43 -5.570 -1.003 5.134 308 HD3 LYS 43 2HD LYS 43 -5.750 -1.215 6.877 309 HE2 LYS 43 1HE LYS 43 -7.596 -2.355 4.780 310 HE3 LYS 43 2HE LYS 43 -6.320 -3.250 5.605 311 HZ1 LYS 43 3HZ LYS 43 -7.457 -2.788 7.714 312 HZ2 LYS 43 1HZ LYS 43 -8.429 -3.673 6.649 313 HZ3 LYS 43 2HZ LYS 43 -8.707 -2.020 6.873 314 H ASP 44 H ASP 44 -9.254 3.050 4.419 315 HA ASP 44 HA ASP 44 -11.500 3.207 4.751 316 HB2 ASP 44 1HB ASP 44 -10.676 0.919 6.488 317 HB3 ASP 44 2HB ASP 44 -12.331 1.512 6.604 318 H ARG 45 H ARG 45 -10.212 5.254 5.927 319 HA ARG 45 HA ARG 45 -10.516 6.940 7.425 320 HB2 ARG 45 1HB ARG 45 -12.894 5.379 8.440 321 HB3 ARG 45 2HB ARG 45 -12.600 7.105 8.607 322 HG2 ARG 45 1HG ARG 45 -12.860 5.843 5.906 323 HG3 ARG 45 2HG ARG 45 -14.282 6.307 6.843 324 HD2 ARG 45 1HD ARG 45 -13.294 8.603 7.028 325 HD3 ARG 45 2HD ARG 45 -12.050 8.091 5.889 326 HE ARG 45 HE ARG 45 -13.577 8.270 4.190 327 HH11 ARG 45 2HH1 ARG 45 -15.246 8.312 7.245 328 HH12 ARG 45 1HH1 ARG 45 -16.778 8.726 6.551 329 HH21 ARG 45 2HH2 ARG 45 -15.589 8.814 3.263 330 HH22 ARG 45 1HH2 ARG 45 -16.973 9.010 4.286 331 H LYS 46 H LYS 46 -8.665 5.031 8.090 332 HA LYS 46 HA LYS 46 -8.661 5.254 10.981 333 HB2 LYS 46 1HB LYS 46 -8.490 2.578 9.587 334 HB3 LYS 46 2HB LYS 46 -8.086 2.843 11.278 335 HG2 LYS 46 1HG LYS 46 -10.788 3.489 10.136 336 HG3 LYS 46 2HG LYS 46 -10.379 1.907 10.803 337 HD2 LYS 46 1HD LYS 46 -9.593 3.295 12.868 338 HD3 LYS 46 2HD LYS 46 -10.638 4.544 12.188 339 HE2 LYS 46 1HE LYS 46 -12.465 2.801 12.123 340 HE3 LYS 46 2HE LYS 46 -11.401 1.771 13.080 341 HZ1 LYS 46 3HZ LYS 46 -12.335 2.768 14.823 342 HZ2 LYS 46 1HZ LYS 46 -12.982 4.026 13.895 343 HZ3 LYS 46 2HZ LYS 46 -11.383 4.113 14.439 344 H ALA 47 H ALA 47 -6.761 6.155 11.394 345 HA ALA 47 HA ALA 47 -4.598 6.340 9.680 346 HB1 ALA 47 3HB ALA 47 -4.574 6.436 12.694 347 HB2 ALA 47 1HB ALA 47 -3.288 7.020 11.638 348 HB3 ALA 47 2HB ALA 47 -4.873 7.793 11.608 349 H ILE 48 H ILE 48 -2.995 5.022 9.090 350 HA ILE 48 HA ILE 48 -2.882 2.359 10.270 351 HB ILE 48 HB ILE 48 -1.371 3.425 7.883 352 HG12 ILE 48 1HG1 ILE 48 -3.923 1.801 7.962 353 HG13 ILE 48 2HG1 ILE 48 -3.829 3.515 7.573 354 HG21 ILE 48 1HG2 ILE 48 -1.030 1.071 7.338 355 HG22 ILE 48 2HG2 ILE 48 -0.353 1.463 8.918 356 HG23 ILE 48 3HG2 ILE 48 -1.888 0.601 8.805 357 HD11 ILE 48 3HD1 ILE 48 -3.625 2.920 5.453 358 HD12 ILE 48 1HD1 ILE 48 -2.024 2.296 5.849 359 HD13 ILE 48 2HD1 ILE 48 -3.423 1.222 5.886 360 H ARG 49 H ARG 49 -0.874 1.380 10.892 361 HA ARG 49 HA ARG 49 1.132 3.337 11.804 362 HB2 ARG 49 1HB ARG 49 1.586 1.759 13.680 363 HB3 ARG 49 2HB ARG 49 -0.030 2.453 13.715 364 HG2 ARG 49 1HG ARG 49 -0.697 0.280 12.451 365 HG3 ARG 49 2HG ARG 49 0.818 -0.340 13.109 366 HD2 ARG 49 1HD ARG 49 -0.157 0.704 15.340 367 HD3 ARG 49 2HD ARG 49 -1.687 0.449 14.502 368 HE ARG 49 HE ARG 49 -0.247 -1.913 14.299 369 HH11 ARG 49 2HH1 ARG 49 -1.645 0.059 16.804 370 HH12 ARG 49 1HH1 ARG 49 -1.935 -1.273 17.872 371 HH21 ARG 49 2HH2 ARG 49 -0.623 -3.676 15.697 372 HH22 ARG 49 1HH2 ARG 49 -1.353 -3.397 17.242 373 H LYS 50 H LYS 50 3.269 2.890 11.480 374 HA LYS 50 HA LYS 50 3.935 1.067 9.406 375 HB2 LYS 50 1HB LYS 50 5.116 3.222 9.837 376 HB3 LYS 50 2HB LYS 50 5.804 2.512 11.292 377 HG2 LYS 50 1HG LYS 50 6.980 0.863 9.975 378 HG3 LYS 50 2HG LYS 50 6.226 1.468 8.499 379 HD2 LYS 50 1HD LYS 50 8.447 2.365 8.635 380 HD3 LYS 50 2HD LYS 50 7.302 3.674 8.935 381 HE2 LYS 50 1HE LYS 50 7.687 3.535 11.305 382 HE3 LYS 50 2HE LYS 50 8.694 2.103 11.099 383 HZ1 LYS 50 3HZ LYS 50 10.267 3.463 9.836 384 HZ2 LYS 50 1HZ LYS 50 10.057 4.050 11.409 385 HZ3 LYS 50 2HZ LYS 50 9.313 4.833 10.108 386 H SER 51 H SER 51 4.368 -1.028 9.542 387 HA SER 51 HA SER 51 5.894 -2.163 11.668 388 HB2 SER 51 1HB SER 51 3.382 -1.893 12.474 389 HB3 SER 51 2HB SER 51 3.163 -3.366 11.530 390 HG SER 51 HG SER 51 4.081 -4.425 13.082 391 H GLN 52 H GLN 52 5.895 -4.649 11.448 392 HA GLN 52 HA GLN 52 6.903 -5.423 9.056 393 HB2 GLN 52 1HB GLN 52 5.410 -7.006 11.130 394 HB3 GLN 52 2HB GLN 52 6.070 -7.781 9.696 395 HG2 GLN 52 1HG GLN 52 7.801 -6.084 11.446 396 HG3 GLN 52 2HG GLN 52 7.456 -7.761 11.865 397 HE21 GLN 52 1HE2 GLN 52 9.832 -7.880 11.645 398 HE22 GLN 52 2HE2 GLN 52 10.486 -8.209 10.080 399 H LYS 53 H LYS 53 3.503 -5.345 9.959 400 HA LYS 53 HA LYS 53 2.537 -6.663 7.633 401 HB2 LYS 53 1HB LYS 53 1.089 -6.647 9.499 402 HB3 LYS 53 2HB LYS 53 1.249 -4.909 9.712 403 HG2 LYS 53 1HG LYS 53 -0.908 -5.318 8.822 404 HG3 LYS 53 2HG LYS 53 0.065 -4.619 7.527 405 HD2 LYS 53 1HD LYS 53 0.505 -6.949 6.719 406 HD3 LYS 53 2HD LYS 53 -0.667 -7.519 7.910 407 HE2 LYS 53 1HE LYS 53 -1.416 -5.376 5.962 408 HE3 LYS 53 2HE LYS 53 -1.425 -7.067 5.464 409 HZ1 LYS 53 3HZ LYS 53 -3.588 -6.583 6.205 410 HZ2 LYS 53 1HZ LYS 53 -3.037 -5.793 7.596 411 HZ3 LYS 53 2HZ LYS 53 -2.879 -7.471 7.459 412 H TYR 54 H TYR 54 2.562 -3.223 8.571 413 HA TYR 54 HA TYR 54 2.290 -2.542 5.718 414 HB2 TYR 54 1HB TYR 54 1.514 -0.914 8.148 415 HB3 TYR 54 2HB TYR 54 1.355 -0.384 6.477 416 HD1 TYR 54 2HD TYR 54 0.050 -2.236 4.967 417 HD2 TYR 54 1HD TYR 54 -0.420 -1.643 9.154 418 HE1 TYR 54 2HE TYR 54 -2.187 -3.253 4.854 419 HE2 TYR 54 1HE TYR 54 -2.658 -2.659 9.052 420 HH TYR 54 HH TYR 54 -4.033 -3.770 5.971 421 H ASP 55 H ASP 55 4.382 -2.375 5.071 422 HA ASP 55 HA ASP 55 6.316 -0.928 6.676 423 HB2 ASP 55 1HB ASP 55 6.652 -2.099 3.909 424 HB3 ASP 55 2HB ASP 55 7.935 -1.586 5.001 425 H VAL 56 H VAL 56 6.458 1.206 6.599 426 HA VAL 56 HA VAL 56 5.425 2.648 4.279 427 HB VAL 56 HB VAL 56 6.453 3.819 6.863 428 HG11 VAL 56 1HG1 VAL 56 4.396 5.091 5.129 429 HG12 VAL 56 2HG1 VAL 56 5.606 5.832 6.178 430 HG13 VAL 56 3HG1 VAL 56 6.084 5.152 4.622 431 HG21 VAL 56 3HG2 VAL 56 4.553 2.175 7.141 432 HG22 VAL 56 1HG2 VAL 56 4.247 3.811 7.723 433 HG23 VAL 56 2HG2 VAL 56 3.570 3.282 6.183 434 H VAL 57 H VAL 57 6.895 2.731 2.678 435 HA VAL 57 HA VAL 57 9.677 3.395 3.342 436 HB VAL 57 HB VAL 57 8.490 2.352 0.766 437 HG11 VAL 57 1HG1 VAL 57 10.292 3.334 -0.148 438 HG12 VAL 57 2HG1 VAL 57 11.101 3.530 1.408 439 HG13 VAL 57 3HG1 VAL 57 11.174 1.983 0.563 440 HG21 VAL 57 3HG2 VAL 57 10.497 0.691 1.969 441 HG22 VAL 57 1HG2 VAL 57 9.210 1.020 3.129 442 HG23 VAL 57 2HG2 VAL 57 8.825 0.305 1.564 443 H CYS 58 H CYS 58 10.370 5.404 3.070 444 HA CYS 58 HA CYS 58 8.865 7.177 1.263 445 HB2 CYS 58 1HB CYS 58 8.685 7.969 3.519 446 HB3 CYS 58 2HB CYS 58 10.416 7.791 3.781 447 HG CYS 58 HG CYS 58 9.597 10.530 3.597 448 H GLU 59 H GLU 59 10.047 6.711 -0.596 449 HA GLU 59 HA GLU 59 12.920 7.302 -0.530 450 HB2 GLU 59 1HB GLU 59 11.204 5.905 -2.586 451 HB3 GLU 59 2HB GLU 59 12.900 6.296 -2.839 452 HG2 GLU 59 1HG GLU 59 13.554 4.871 -1.017 453 HG3 GLU 59 2HG GLU 59 11.867 4.564 -0.606 454 H GLY 60 H GLY 60 13.637 8.238 -2.818 455 HA2 GLY 60 1HA GLY 60 13.198 10.875 -2.952 456 HA3 GLY 60 2HA GLY 60 13.465 9.926 -4.406 457 H THR 61 H THR 61 11.152 11.614 -2.467 458 HA THR 61 HA THR 61 8.925 12.083 -2.748 459 HB THR 61 HB THR 61 8.369 13.073 -4.861 460 HG1 THR 61 1HG THR 61 9.961 11.149 -5.838 461 HG21 THR 61 3HG2 THR 61 11.326 13.544 -4.605 462 HG22 THR 61 1HG2 THR 61 10.189 14.115 -3.385 463 HG23 THR 61 2HG2 THR 61 10.062 14.690 -5.048 464 H MET 62 H MET 62 9.222 9.373 -2.503 465 HA MET 62 HA MET 62 7.011 8.422 -4.148 466 HB2 MET 62 1HB MET 62 9.186 7.767 -5.257 467 HB3 MET 62 2HB MET 62 9.522 6.775 -3.843 468 HG2 MET 62 1HG MET 62 7.083 6.464 -5.574 469 HG3 MET 62 2HG MET 62 8.571 5.543 -5.783 470 HE1 MET 62 3HE MET 62 9.070 4.772 -2.165 471 HE2 MET 62 1HE MET 62 8.943 3.253 -3.052 472 HE3 MET 62 2HE MET 62 9.747 4.639 -3.789 473 H ALA 63 H ALA 63 5.554 7.913 -2.648 474 HA ALA 63 HA ALA 63 6.435 6.692 -0.135 475 HB1 ALA 63 3HB ALA 63 4.884 8.721 -0.235 476 HB2 ALA 63 1HB ALA 63 3.636 7.584 -0.748 477 HB3 ALA 63 2HB ALA 63 4.416 7.389 0.822 478 H MET 64 H MET 64 6.574 4.541 -0.230 479 HA MET 64 HA MET 64 4.489 3.062 -1.688 480 HB2 MET 64 1HB MET 64 6.981 2.806 -2.289 481 HB3 MET 64 2HB MET 64 7.116 1.904 -0.785 482 HG2 MET 64 1HG MET 64 5.761 0.180 -1.551 483 HG3 MET 64 2HG MET 64 5.070 1.167 -2.836 484 HE1 MET 64 3HE MET 64 8.991 -1.013 -2.579 485 HE2 MET 64 1HE MET 64 9.311 0.715 -2.431 486 HE3 MET 64 2HE MET 64 8.197 -0.074 -1.315 487 H LEU 65 H LEU 65 3.266 1.550 -0.667 488 HA LEU 65 HA LEU 65 3.783 1.124 2.203 489 HB2 LEU 65 1HB LEU 65 1.890 2.576 1.983 490 HB3 LEU 65 2HB LEU 65 1.157 1.515 0.782 491 HG LEU 65 HG LEU 65 1.065 -0.227 2.669 492 HD11 LEU 65 1HD1 LEU 65 2.517 0.829 4.258 493 HD12 LEU 65 2HD1 LEU 65 0.886 0.788 4.926 494 HD13 LEU 65 3HD1 LEU 65 1.529 2.289 4.260 495 HD21 LEU 65 3HD2 LEU 65 -1.097 0.281 2.653 496 HD22 LEU 65 1HD2 LEU 65 -0.692 1.774 1.805 497 HD23 LEU 65 2HD2 LEU 65 -0.806 1.763 3.565 498 H VAL 66 H VAL 66 4.666 -0.876 2.176 499 HA VAL 66 HA VAL 66 3.650 -2.972 0.480 500 HB VAL 66 HB VAL 66 5.555 -3.340 2.783 501 HG11 VAL 66 1HG1 VAL 66 4.616 -5.345 1.669 502 HG12 VAL 66 2HG1 VAL 66 5.318 -4.788 0.149 503 HG13 VAL 66 3HG1 VAL 66 6.367 -5.211 1.502 504 HG21 VAL 66 3HG2 VAL 66 6.769 -1.733 1.729 505 HG22 VAL 66 1HG2 VAL 66 7.234 -3.107 0.726 506 HG23 VAL 66 2HG2 VAL 66 5.978 -1.998 0.175 507 H ILE 67 H ILE 67 2.274 -4.578 0.994 508 HA ILE 67 HA ILE 67 1.280 -4.678 3.768 509 HB ILE 67 HB ILE 67 -0.285 -5.205 1.239 510 HG12 ILE 67 1HG1 ILE 67 -0.961 -3.061 3.205 511 HG13 ILE 67 2HG1 ILE 67 0.358 -2.774 2.076 512 HG21 ILE 67 1HG2 ILE 67 -0.797 -5.767 4.082 513 HG22 ILE 67 2HG2 ILE 67 -2.127 -5.018 3.201 514 HG23 ILE 67 3HG2 ILE 67 -1.443 -6.542 2.636 515 HD11 ILE 67 3HD1 ILE 67 -2.127 -2.091 1.530 516 HD12 ILE 67 1HD1 ILE 67 -1.025 -2.666 0.279 517 HD13 ILE 67 2HD1 ILE 67 -2.211 -3.765 0.982 518 H ARG 68 H ARG 68 2.951 -6.294 4.128 519 HA ARG 68 HA ARG 68 3.383 -8.639 2.815 520 HB2 ARG 68 1HB ARG 68 3.312 -8.063 5.770 521 HB3 ARG 68 2HB ARG 68 3.781 -9.637 5.143 522 HG2 ARG 68 1HG ARG 68 5.126 -7.071 4.343 523 HG3 ARG 68 2HG ARG 68 5.669 -8.087 5.680 524 HD2 ARG 68 1HD ARG 68 5.614 -9.977 3.877 525 HD3 ARG 68 2HD ARG 68 5.701 -8.629 2.744 526 HE ARG 68 HE ARG 68 7.911 -8.463 3.249 527 HH11 ARG 68 2HH1 ARG 68 6.286 -9.957 5.941 528 HH12 ARG 68 1HH1 ARG 68 7.741 -10.207 6.848 529 HH21 ARG 68 2HH2 ARG 68 9.833 -8.787 4.433 530 HH22 ARG 68 1HH2 ARG 68 9.758 -9.540 5.990 531 H GLY 69 H GLY 69 2.370 -10.552 2.507 532 HA2 GLY 69 1HA GLY 69 0.530 -11.925 2.254 533 HA3 GLY 69 2HA GLY 69 0.512 -11.848 4.009 534 H ALA 70 H ALA 70 -0.747 -10.367 1.070 535 HA ALA 70 HA ALA 70 -2.766 -8.917 2.595 536 HB1 ALA 70 3HB ALA 70 -1.798 -7.633 0.858 537 HB2 ALA 70 1HB ALA 70 -2.026 -8.925 -0.321 538 HB3 ALA 70 2HB ALA 70 -3.422 -8.056 0.317 539 H SER 71 H SER 71 -4.291 -10.315 3.315 540 HA SER 71 HA SER 71 -5.333 -12.394 1.583 541 HB2 SER 71 1HB SER 71 -6.116 -11.597 4.398 542 HB3 SER 71 2HB SER 71 -6.701 -13.023 3.540 543 HG SER 71 HG SER 71 -4.534 -13.758 3.456 544 H LEU 72 H LEU 72 -7.886 -12.628 1.849 545 HA LEU 72 HA LEU 72 -9.054 -10.714 0.221 546 HB2 LEU 72 1HB LEU 72 -10.461 -12.482 2.217 547 HB3 LEU 72 2HB LEU 72 -11.190 -11.709 0.810 548 HG LEU 72 HG LEU 72 -8.988 -13.747 0.581 549 HD11 LEU 72 1HD1 LEU 72 -10.419 -15.315 1.228 550 HD12 LEU 72 2HD1 LEU 72 -11.391 -14.926 -0.190 551 HD13 LEU 72 3HD1 LEU 72 -11.736 -14.147 1.354 552 HD21 LEU 72 3HD2 LEU 72 -9.863 -12.032 -1.271 553 HD22 LEU 72 1HD2 LEU 72 -11.056 -13.313 -1.490 554 HD23 LEU 72 2HD2 LEU 72 -9.337 -13.672 -1.657 555 H LYS 73 H LYS 73 -8.865 -10.870 3.723 556 HA LYS 73 HA LYS 73 -10.721 -8.794 4.258 557 HB2 LYS 73 1HB LYS 73 -8.421 -9.869 5.898 558 HB3 LYS 73 2HB LYS 73 -9.612 -8.724 6.499 559 HG2 LYS 73 1HG LYS 73 -11.375 -10.427 5.958 560 HG3 LYS 73 2HG LYS 73 -10.068 -11.568 5.637 561 HD2 LYS 73 1HD LYS 73 -9.267 -11.353 7.905 562 HD3 LYS 73 2HD LYS 73 -10.456 -10.092 8.241 563 HE2 LYS 73 1HE LYS 73 -11.126 -12.932 7.476 564 HE3 LYS 73 2HE LYS 73 -11.093 -12.320 9.129 565 HZ1 LYS 73 3HZ LYS 73 -13.335 -12.360 8.141 566 HZ2 LYS 73 1HZ LYS 73 -12.830 -11.239 6.978 567 HZ3 LYS 73 2HZ LYS 73 -12.857 -10.807 8.613 568 H ASP 74 H ASP 74 -7.192 -8.847 3.918 569 HA ASP 74 HA ASP 74 -6.503 -6.307 4.617 570 HB2 ASP 74 1HB ASP 74 -5.501 -8.046 2.372 571 HB3 ASP 74 2HB ASP 74 -4.790 -6.469 2.703 572 H ALA 75 H ALA 75 -8.155 -7.323 1.692 573 HA ALA 75 HA ALA 75 -7.932 -5.097 0.093 574 HB1 ALA 75 3HB ALA 75 -10.649 -6.147 0.125 575 HB2 ALA 75 1HB ALA 75 -9.457 -6.122 -1.175 576 HB3 ALA 75 2HB ALA 75 -9.417 -7.407 0.033 577 H GLY 76 H GLY 76 -8.397 -3.022 0.381 578 HA2 GLY 76 1HA GLY 76 -10.855 -2.180 1.612 579 HA3 GLY 76 2HA GLY 76 -9.447 -1.849 2.610 580 H GLU 77 H GLU 77 -10.050 0.403 2.375 581 HA GLU 77 HA GLU 77 -9.244 1.518 -0.232 582 HB2 GLU 77 1HB GLU 77 -11.524 2.085 0.128 583 HB3 GLU 77 2HB GLU 77 -11.227 2.518 1.806 584 HG2 GLU 77 1HG GLU 77 -9.696 4.344 0.838 585 HG3 GLU 77 2HG GLU 77 -10.540 4.034 -0.678 586 H TYR 78 H TYR 78 -7.306 2.421 -0.192 587 HA TYR 78 HA TYR 78 -6.260 3.453 2.348 588 HB2 TYR 78 1HB TYR 78 -4.864 2.683 -0.221 589 HB3 TYR 78 2HB TYR 78 -4.049 3.399 1.165 590 HD1 TYR 78 2HD TYR 78 -5.789 0.403 -0.078 591 HD2 TYR 78 1HD TYR 78 -3.559 2.102 3.123 592 HE1 TYR 78 2HE TYR 78 -5.492 -1.836 0.895 593 HE2 TYR 78 1HE TYR 78 -3.254 -0.133 4.104 594 HH TYR 78 HH TYR 78 -4.190 -3.028 2.405 595 H THR 79 H THR 79 -6.306 5.564 2.680 596 HA THR 79 HA THR 79 -6.439 7.364 0.357 597 HB THR 79 HB THR 79 -7.381 7.732 3.201 598 HG1 THR 79 1HG THR 79 -9.392 8.004 2.115 599 HG21 THR 79 3HG2 THR 79 -6.423 9.726 1.393 600 HG22 THR 79 1HG2 THR 79 -7.116 9.934 3.001 601 HG23 THR 79 2HG2 THR 79 -8.166 9.916 1.584 602 H CYS 80 H CYS 80 -4.431 8.009 -0.143 603 HA CYS 80 HA CYS 80 -2.424 8.438 1.884 604 HB2 CYS 80 1HB CYS 80 -2.021 7.526 -0.475 605 HB3 CYS 80 2HB CYS 80 -2.199 9.188 -1.027 606 HG CYS 80 HG CYS 80 0.314 7.794 0.771 607 H GLU 81 H GLU 81 -3.022 10.151 3.155 608 HA GLU 81 HA GLU 81 -3.718 12.685 1.892 609 HB2 GLU 81 1HB GLU 81 -4.810 11.599 4.025 610 HB3 GLU 81 2HB GLU 81 -3.448 12.342 4.851 611 HG2 GLU 81 1HG GLU 81 -4.243 14.465 3.499 612 HG3 GLU 81 2HG GLU 81 -5.779 13.601 3.518 613 H VAL 82 H VAL 82 -2.282 14.236 1.529 614 HA VAL 82 HA VAL 82 0.354 14.037 2.814 615 HB VAL 82 HB VAL 82 -0.032 14.126 0.215 616 HG11 VAL 82 1HG1 VAL 82 -1.359 16.304 0.544 617 HG12 VAL 82 2HG1 VAL 82 0.220 17.069 0.732 618 HG13 VAL 82 3HG1 VAL 82 -0.184 16.235 -0.769 619 HG21 VAL 82 3HG2 VAL 82 2.115 15.944 0.585 620 HG22 VAL 82 1HG2 VAL 82 2.088 14.845 1.965 621 HG23 VAL 82 2HG2 VAL 82 2.185 14.201 0.326 622 H GLU 83 H GLU 83 1.380 16.475 2.631 623 HA GLU 83 HA GLU 83 0.789 17.899 4.766 624 HB2 GLU 83 1HB GLU 83 0.972 19.668 2.408 625 HB3 GLU 83 2HB GLU 83 1.949 19.632 3.869 626 HG2 GLU 83 1HG GLU 83 2.188 17.754 1.529 627 HG3 GLU 83 2HG GLU 83 3.277 19.085 1.916 628 H ALA 84 H ALA 84 -0.721 19.000 1.732 629 HA ALA 84 HA ALA 84 -3.120 19.700 3.297 630 HB1 ALA 84 3HB ALA 84 -3.123 21.750 2.426 631 HB2 ALA 84 1HB ALA 84 -1.483 21.412 1.873 632 HB3 ALA 84 2HB ALA 84 -2.851 21.141 0.794 633 H SER 85 H SER 85 -1.849 18.209 0.418 634 HA SER 85 HA SER 85 -4.476 17.778 -0.733 635 HB2 SER 85 1HB SER 85 -2.285 18.194 -2.039 636 HB3 SER 85 2HB SER 85 -1.927 16.500 -1.701 637 HG SER 85 HG SER 85 -4.383 17.290 -2.847 638 H LYS 86 H LYS 86 -4.712 15.384 -1.643 639 HA LYS 86 HA LYS 86 -3.784 13.231 -0.091 640 HB2 LYS 86 1HB LYS 86 -5.623 12.724 1.320 641 HB3 LYS 86 2HB LYS 86 -5.247 14.420 1.599 642 HG2 LYS 86 1HG LYS 86 -7.190 15.149 0.677 643 HG3 LYS 86 2HG LYS 86 -7.292 13.796 -0.453 644 HD2 LYS 86 1HD LYS 86 -8.981 13.234 0.984 645 HD3 LYS 86 2HD LYS 86 -7.631 12.419 1.777 646 HE2 LYS 86 1HE LYS 86 -8.569 13.522 3.557 647 HE3 LYS 86 2HE LYS 86 -7.386 14.714 3.022 648 HZ1 LYS 86 3HZ LYS 86 -10.214 14.733 2.134 649 HZ2 LYS 86 1HZ LYS 86 -9.061 15.957 1.943 650 HZ3 LYS 86 2HZ LYS 86 -9.664 15.595 3.481 651 H SER 87 H SER 87 -4.497 11.241 -0.870 652 HA SER 87 HA SER 87 -6.367 11.362 -3.144 653 HB2 SER 87 1HB SER 87 -3.973 11.130 -3.857 654 HB3 SER 87 2HB SER 87 -3.914 9.596 -2.989 655 HG SER 87 HG SER 87 -4.408 9.469 -5.293 656 H THR 88 H THR 88 -7.170 9.112 -3.742 657 HA THR 88 HA THR 88 -7.395 7.323 -1.440 658 HB THR 88 HB THR 88 -9.809 8.426 -2.893 659 HG1 THR 88 1HG THR 88 -8.498 9.506 -0.951 660 HG21 THR 88 3HG2 THR 88 -9.916 6.703 -0.450 661 HG22 THR 88 1HG2 THR 88 -9.750 5.959 -2.039 662 HG23 THR 88 2HG2 THR 88 -11.147 6.975 -1.682 663 H ALA 89 H ALA 89 -7.728 5.191 -1.965 664 HA ALA 89 HA ALA 89 -8.277 4.484 -4.744 665 HB1 ALA 89 3HB ALA 89 -5.989 4.444 -4.986 666 HB2 ALA 89 1HB ALA 89 -5.711 3.947 -3.316 667 HB3 ALA 89 2HB ALA 89 -6.312 2.781 -4.496 668 H SER 90 H SER 90 -8.084 1.883 -4.817 669 HA SER 90 HA SER 90 -9.256 0.742 -2.392 670 HB2 SER 90 1HB SER 90 -11.063 1.588 -4.022 671 HB3 SER 90 2HB SER 90 -10.565 0.254 -5.062 672 HG SER 90 HG SER 90 -11.632 -1.051 -3.821 673 H LEU 91 H LEU 91 -8.492 -1.232 -1.975 674 HA LEU 91 HA LEU 91 -6.814 -2.514 -3.996 675 HB2 LEU 91 1HB LEU 91 -5.602 -2.387 -2.049 676 HB3 LEU 91 2HB LEU 91 -7.016 -2.639 -1.028 677 HG LEU 91 HG LEU 91 -6.991 -5.046 -1.835 678 HD11 LEU 91 1HD1 LEU 91 -4.119 -4.609 -2.499 679 HD12 LEU 91 2HD1 LEU 91 -5.344 -4.329 -3.735 680 HD13 LEU 91 3HD1 LEU 91 -5.202 -5.916 -2.978 681 HD21 LEU 91 3HD2 LEU 91 -5.638 -5.686 -0.077 682 HD22 LEU 91 1HD2 LEU 91 -6.038 -4.024 0.359 683 HD23 LEU 91 2HD2 LEU 91 -4.472 -4.393 -0.365 684 H HIS 92 H HIS 92 -7.124 -4.596 -4.718 685 HA HIS 92 HA HIS 92 -9.646 -5.892 -3.914 686 HB2 HIS 92 1HB HIS 92 -8.444 -5.930 -6.688 687 HB3 HIS 92 2HB HIS 92 -9.991 -6.615 -6.197 688 HD1 HIS 92 1HD HIS 92 -11.656 -4.623 -5.106 689 HD2 HIS 92 2HD HIS 92 -8.736 -3.515 -7.845 690 HE1 HIS 92 1HE HIS 92 -12.383 -2.386 -5.996 691 HE2 HIS 92 2HE HIS 92 -10.645 -1.775 -7.714 692 H VAL 93 H VAL 93 -9.623 -8.084 -3.617 693 HA VAL 93 HA VAL 93 -7.174 -9.562 -4.229 694 HB VAL 93 HB VAL 93 -8.397 -9.383 -1.475 695 HG11 VAL 93 1HG1 VAL 93 -7.911 -11.622 -1.537 696 HG12 VAL 93 2HG1 VAL 93 -6.606 -11.419 -2.708 697 HG13 VAL 93 3HG1 VAL 93 -6.354 -10.975 -1.020 698 HG21 VAL 93 3HG2 VAL 93 -6.018 -8.782 -0.881 699 HG22 VAL 93 1HG2 VAL 93 -5.713 -8.633 -2.612 700 HG23 VAL 93 2HG2 VAL 93 -6.894 -7.582 -1.832 701 H GLU 94 H GLU 94 -7.678 -11.415 -5.183 702 HA GLU 94 HA GLU 94 -10.106 -12.838 -4.371 703 HB2 GLU 94 1HB GLU 94 -9.401 -12.550 -7.282 704 HB3 GLU 94 2HB GLU 94 -10.904 -13.124 -6.573 705 HG2 GLU 94 1HG GLU 94 -11.559 -11.047 -7.195 706 HG3 GLU 94 2HG GLU 94 -10.958 -10.682 -5.578 707 H GLU 95 H GLU 95 -9.879 -15.006 -4.274 708 HA GLU 95 HA GLU 95 -7.253 -16.110 -4.531 709 HB2 GLU 95 1HB GLU 95 -9.162 -16.734 -2.868 710 HB3 GLU 95 2HB GLU 95 -9.723 -17.774 -4.169 711 HG2 GLU 95 1HG GLU 95 -7.926 -19.182 -4.010 712 HG3 GLU 95 2HG GLU 95 -6.876 -17.943 -3.325 713 H LYS 96 H LYS 96 -6.878 -18.189 -5.716 714 HA LYS 96 HA LYS 96 -7.238 -17.838 -8.464 715 HB2 LYS 96 1HB LYS 96 -6.427 -20.192 -8.656 716 HB3 LYS 96 2HB LYS 96 -5.409 -19.166 -7.653 717 HG2 LYS 96 1HG LYS 96 -5.503 -21.013 -6.336 718 HG3 LYS 96 2HG LYS 96 -6.917 -20.151 -5.725 719 HD2 LYS 96 1HD LYS 96 -8.327 -21.457 -7.298 720 HD3 LYS 96 2HD LYS 96 -6.894 -22.378 -7.762 721 HE2 LYS 96 1HE LYS 96 -7.823 -22.168 -4.910 722 HE3 LYS 96 2HE LYS 96 -8.420 -23.413 -6.006 723 HZ1 LYS 96 3HZ LYS 96 -5.528 -23.095 -5.819 724 HZ2 LYS 96 1HZ LYS 96 -6.454 -24.500 -5.990 725 HZ3 LYS 96 2HZ LYS 96 -6.306 -23.764 -4.474 726 H ALA 97 H ALA 97 -8.282 -19.445 -9.948 727 HA ALA 97 HA ALA 97 -11.064 -19.679 -9.263 728 HB1 ALA 97 3HB ALA 97 -10.251 -19.039 -11.527 729 HB2 ALA 97 1HB ALA 97 -9.670 -20.691 -11.736 730 HB3 ALA 97 2HB ALA 97 -11.395 -20.381 -11.529 731 H SER 98 H SER 98 -11.909 -21.326 -8.187 732 HA SER 98 HA SER 98 -10.576 -23.947 -8.337 733 HB2 SER 98 1HB SER 98 -10.552 -23.220 -6.078 734 HB3 SER 98 2HB SER 98 -12.221 -22.656 -6.161 735 HG SER 98 HG SER 98 -12.893 -24.610 -5.756 736 H GLY 99 H GLY 99 -11.561 -25.220 -9.768 737 HA2 GLY 99 1HA GLY 99 -14.146 -26.199 -9.421 738 HA3 GLY 99 2HA GLY 99 -14.246 -24.907 -10.609 739 HA PRO 100 HA PRO 100 -12.992 -29.047 -12.543 740 HB2 PRO 100 1HB PRO 100 -15.289 -29.505 -13.916 741 HB3 PRO 100 2HB PRO 100 -15.020 -30.092 -12.270 742 HG2 PRO 100 1HG PRO 100 -16.534 -27.682 -13.199 743 HG3 PRO 100 2HG PRO 100 -16.968 -28.864 -11.950 744 HD2 PRO 100 1HD PRO 100 -15.922 -26.437 -11.359 745 HD3 PRO 100 2HD PRO 100 -15.613 -27.877 -10.368 746 H SER 101 H SER 101 -14.230 -25.994 -13.493 747 HA SER 101 HA SER 101 -14.188 -26.168 -16.274 748 HB2 SER 101 1HB SER 101 -13.656 -23.863 -14.401 749 HB3 SER 101 2HB SER 101 -13.673 -23.668 -16.153 750 HG SER 101 HG SER 101 -15.822 -24.497 -16.124 751 H SER 102 H SER 102 -12.592 -25.256 -17.771 752 HA SER 102 HA SER 102 -9.867 -24.962 -16.965 753 HB2 SER 102 1HB SER 102 -8.917 -26.922 -17.941 754 HB3 SER 102 2HB SER 102 -10.227 -27.473 -16.898 755 HG SER 102 HG SER 102 -10.033 -27.482 -19.679 756 H GLY 103 H GLY 103 -8.930 -23.612 -18.357 757 HA2 GLY 103 1HA GLY 103 -9.286 -23.795 -21.188 758 HA3 GLY 103 2HA GLY 103 -10.186 -22.447 -20.509 Start of MODEL 10 1 H1 GLY 1 H GLY 1 15.442 35.419 0.997 2 HA2 GLY 1 1HA GLY 1 15.068 37.247 -0.411 3 HA3 GLY 1 2HA GLY 1 14.287 36.173 -1.561 4 H SER 2 H SER 2 12.640 37.792 -1.777 5 HA SER 2 HA SER 2 11.056 38.694 0.371 6 HB2 SER 2 1HB SER 2 10.562 38.521 -2.600 7 HB3 SER 2 2HB SER 2 9.361 39.178 -1.489 8 HG SER 2 HG SER 2 12.019 40.118 -1.832 9 H SER 3 H SER 3 10.340 36.215 -2.093 10 HA SER 3 HA SER 3 8.751 34.778 -0.094 11 HB2 SER 3 1HB SER 3 6.959 34.384 -1.758 12 HB3 SER 3 2HB SER 3 7.138 36.095 -1.368 13 HG SER 3 HG SER 3 8.495 34.969 -3.565 14 H GLY 4 H GLY 4 9.648 32.835 0.067 15 HA2 GLY 4 1HA GLY 4 11.486 31.665 -1.595 16 HA3 GLY 4 2HA GLY 4 10.412 30.752 -0.546 17 H SER 5 H SER 5 11.479 30.205 -3.276 18 HA SER 5 HA SER 5 9.670 30.494 -5.313 19 HB2 SER 5 1HB SER 5 11.976 29.296 -5.272 20 HB3 SER 5 2HB SER 5 11.041 27.850 -4.892 21 HG SER 5 HG SER 5 10.902 27.764 -7.002 22 H SER 6 H SER 6 8.074 29.038 -6.217 23 HA SER 6 HA SER 6 6.367 27.933 -4.128 24 HB2 SER 6 1HB SER 6 5.932 28.709 -7.000 25 HB3 SER 6 2HB SER 6 4.766 27.687 -6.160 26 HG SER 6 HG SER 6 5.584 30.313 -5.474 27 H GLY 7 H GLY 7 6.061 25.820 -3.794 28 HA2 GLY 7 1HA GLY 7 6.053 23.794 -5.694 29 HA3 GLY 7 2HA GLY 7 7.701 23.902 -5.093 30 HA PRO 8 HA PRO 8 4.794 22.592 -1.419 31 HB2 PRO 8 1HB PRO 8 2.435 21.488 -2.186 32 HB3 PRO 8 2HB PRO 8 2.622 23.212 -1.843 33 HG2 PRO 8 1HG PRO 8 2.596 21.798 -4.482 34 HG3 PRO 8 2HG PRO 8 1.808 23.317 -4.019 35 HD2 PRO 8 1HD PRO 8 4.130 23.245 -5.410 36 HD3 PRO 8 2HD PRO 8 3.746 24.542 -4.260 37 H ALA 9 H ALA 9 3.859 20.333 -0.777 38 HA ALA 9 HA ALA 9 5.448 18.325 -2.219 39 HB1 ALA 9 3HB ALA 9 5.762 18.855 0.295 40 HB2 ALA 9 1HB ALA 9 4.299 17.894 0.509 41 HB3 ALA 9 2HB ALA 9 5.729 17.172 -0.230 42 H ALA 10 H ALA 10 2.611 19.334 -2.750 43 HA ALA 10 HA ALA 10 0.675 17.476 -2.127 44 HB1 ALA 10 3HB ALA 10 0.071 19.500 -3.236 45 HB2 ALA 10 1HB ALA 10 1.038 19.081 -4.650 46 HB3 ALA 10 2HB ALA 10 -0.417 18.158 -4.271 47 H ILE 11 H ILE 11 -0.377 15.953 -3.777 48 HA ILE 11 HA ILE 11 1.718 14.159 -4.779 49 HB ILE 11 HB ILE 11 -1.196 13.550 -4.271 50 HG12 ILE 11 1HG1 ILE 11 1.115 12.573 -2.614 51 HG13 ILE 11 2HG1 ILE 11 0.353 14.122 -2.270 52 HG21 ILE 11 1HG2 ILE 11 0.435 11.241 -4.237 53 HG22 ILE 11 2HG2 ILE 11 -0.832 11.668 -5.386 54 HG23 ILE 11 3HG2 ILE 11 0.836 12.150 -5.695 55 HD11 ILE 11 3HD1 ILE 11 -1.668 12.132 -2.553 56 HD12 ILE 11 1HD1 ILE 11 -0.441 11.565 -1.421 57 HD13 ILE 11 2HD1 ILE 11 -1.251 13.107 -1.144 58 H ILE 12 H ILE 12 2.131 14.282 -6.878 59 HA ILE 12 HA ILE 12 0.148 15.329 -8.721 60 HB ILE 12 HB ILE 12 2.134 14.768 -10.374 61 HG12 ILE 12 1HG1 ILE 12 3.282 13.643 -8.284 62 HG13 ILE 12 2HG1 ILE 12 4.239 14.545 -9.455 63 HG21 ILE 12 1HG2 ILE 12 3.190 17.020 -9.357 64 HG22 ILE 12 2HG2 ILE 12 1.716 16.986 -10.322 65 HG23 ILE 12 3HG2 ILE 12 1.616 17.036 -8.562 66 HD11 ILE 12 3HD1 ILE 12 3.153 16.066 -7.170 67 HD12 ILE 12 1HD1 ILE 12 4.439 14.908 -6.829 68 HD13 ILE 12 2HD1 ILE 12 4.704 16.204 -7.996 69 H LYS 13 H LYS 13 1.765 12.293 -8.002 70 HA LYS 13 HA LYS 13 0.119 10.973 -10.058 71 HB2 LYS 13 1HB LYS 13 2.723 10.084 -8.806 72 HB3 LYS 13 2HB LYS 13 1.782 9.127 -9.943 73 HG2 LYS 13 1HG LYS 13 2.057 10.963 -11.606 74 HG3 LYS 13 2HG LYS 13 3.153 11.753 -10.470 75 HD2 LYS 13 1HD LYS 13 4.758 10.071 -10.664 76 HD3 LYS 13 2HD LYS 13 3.600 8.912 -11.320 77 HE2 LYS 13 1HE LYS 13 4.405 11.422 -12.771 78 HE3 LYS 13 2HE LYS 13 5.263 9.894 -12.958 79 HZ1 LYS 13 3HZ LYS 13 2.439 10.472 -13.647 80 HZ2 LYS 13 1HZ LYS 13 3.074 8.905 -13.595 81 HZ3 LYS 13 2HZ LYS 13 3.689 10.031 -14.697 82 HA PRO 14 HA PRO 14 -1.909 9.555 -6.253 83 HB2 PRO 14 1HB PRO 14 -4.222 8.869 -7.497 84 HB3 PRO 14 2HB PRO 14 -3.846 10.528 -7.015 85 HG2 PRO 14 1HG PRO 14 -3.593 9.233 -9.702 86 HG3 PRO 14 2HG PRO 14 -4.217 10.841 -9.289 87 HD2 PRO 14 1HD PRO 14 -1.714 10.450 -10.248 88 HD3 PRO 14 2HD PRO 14 -2.107 11.749 -9.102 89 H LEU 15 H LEU 15 -2.868 7.466 -5.657 90 HA LEU 15 HA LEU 15 -1.351 5.295 -6.701 91 HB2 LEU 15 1HB LEU 15 -3.758 5.048 -4.922 92 HB3 LEU 15 2HB LEU 15 -2.371 3.967 -5.039 93 HG LEU 15 HG LEU 15 -1.932 6.762 -4.101 94 HD11 LEU 15 1HD1 LEU 15 -2.474 6.166 -1.827 95 HD12 LEU 15 2HD1 LEU 15 -2.970 4.552 -2.334 96 HD13 LEU 15 3HD1 LEU 15 -3.898 5.961 -2.847 97 HD21 LEU 15 3HD2 LEU 15 -0.221 4.796 -4.534 98 HD22 LEU 15 1HD2 LEU 15 -0.721 4.324 -2.910 99 HD23 LEU 15 2HD2 LEU 15 -0.019 5.918 -3.188 100 H GLU 16 H GLU 16 -2.728 3.124 -7.009 101 HA GLU 16 HA GLU 16 -5.040 3.598 -8.723 102 HB2 GLU 16 1HB GLU 16 -2.567 2.135 -9.665 103 HB3 GLU 16 2HB GLU 16 -4.094 2.203 -10.533 104 HG2 GLU 16 1HG GLU 16 -3.869 4.633 -10.726 105 HG3 GLU 16 2HG GLU 16 -2.325 4.549 -9.881 106 H ASP 17 H ASP 17 -6.403 1.820 -8.947 107 HA ASP 17 HA ASP 17 -6.610 0.075 -6.810 108 HB2 ASP 17 1HB ASP 17 -7.696 -0.171 -9.619 109 HB3 ASP 17 2HB ASP 17 -8.159 -1.242 -8.299 110 H GLN 18 H GLN 18 -5.741 -1.836 -6.281 111 HA GLN 18 HA GLN 18 -3.945 -3.101 -8.243 112 HB2 GLN 18 1HB GLN 18 -3.834 -3.204 -5.224 113 HB3 GLN 18 2HB GLN 18 -2.712 -4.005 -6.316 114 HG2 GLN 18 1HG GLN 18 -3.114 -1.031 -6.086 115 HG3 GLN 18 2HG GLN 18 -1.780 -1.950 -5.390 116 HE21 GLN 18 1HE2 GLN 18 -1.174 0.099 -7.002 117 HE22 GLN 18 2HE2 GLN 18 -0.583 -0.466 -8.524 118 H TRP 19 H TRP 19 -4.149 -5.234 -8.706 119 HA TRP 19 HA TRP 19 -6.355 -6.667 -7.376 120 HB2 TRP 19 1HB TRP 19 -5.482 -6.580 -10.245 121 HB3 TRP 19 2HB TRP 19 -6.325 -7.998 -9.625 122 HD1 TRP 19 HD TRP 19 -8.873 -7.576 -8.705 123 HE1 TRP 19 1HE TRP 19 -10.631 -5.847 -9.444 124 HE3 TRP 19 3HE TRP 19 -5.799 -4.269 -11.102 125 HZ2 TRP 19 2HZ TRP 19 -10.704 -3.404 -10.857 126 HZ3 TRP 19 3HZ TRP 19 -6.792 -2.261 -12.121 127 HH2 TRP 19 HH TRP 19 -9.194 -1.840 -12.001 128 H VAL 20 H VAL 20 -5.228 -7.802 -5.853 129 HA VAL 20 HA VAL 20 -3.179 -9.667 -6.863 130 HB VAL 20 HB VAL 20 -2.082 -9.613 -4.716 131 HG11 VAL 20 1HG1 VAL 20 -1.905 -7.674 -6.530 132 HG12 VAL 20 2HG1 VAL 20 -2.467 -6.708 -5.164 133 HG13 VAL 20 3HG1 VAL 20 -0.981 -7.649 -5.028 134 HG21 VAL 20 3HG2 VAL 20 -4.316 -7.763 -3.898 135 HG22 VAL 20 1HG2 VAL 20 -3.937 -9.351 -3.230 136 HG23 VAL 20 2HG2 VAL 20 -2.838 -7.998 -2.965 137 H ALA 21 H ALA 21 -2.899 -11.428 -4.925 138 HA ALA 21 HA ALA 21 -5.598 -12.546 -4.541 139 HB1 ALA 21 3HB ALA 21 -4.878 -14.422 -5.478 140 HB2 ALA 21 1HB ALA 21 -3.318 -13.657 -5.781 141 HB3 ALA 21 2HB ALA 21 -3.587 -14.551 -4.284 142 HA PRO 22 HA PRO 22 -5.073 -12.803 -0.192 143 HB2 PRO 22 1HB PRO 22 -5.951 -15.298 0.418 144 HB3 PRO 22 2HB PRO 22 -7.034 -13.997 -0.091 145 HG2 PRO 22 1HG PRO 22 -5.896 -16.252 -1.698 146 HG3 PRO 22 2HG PRO 22 -7.545 -15.601 -1.695 147 HD2 PRO 22 1HD PRO 22 -5.734 -14.972 -3.607 148 HD3 PRO 22 2HD PRO 22 -6.985 -13.834 -3.065 149 H GLY 23 H GLY 23 -2.789 -12.679 -0.045 150 HA2 GLY 23 1HA GLY 23 -1.312 -14.138 1.480 151 HA3 GLY 23 2HA GLY 23 -1.374 -15.255 0.125 152 H GLU 24 H GLU 24 -1.432 -12.641 -1.577 153 HA GLU 24 HA GLU 24 1.444 -12.580 -1.943 154 HB2 GLU 24 1HB GLU 24 -0.575 -10.971 -3.492 155 HB3 GLU 24 2HB GLU 24 1.026 -11.488 -4.000 156 HG2 GLU 24 1HG GLU 24 -0.026 -13.884 -3.647 157 HG3 GLU 24 2HG GLU 24 -1.524 -12.999 -3.926 158 H ASP 25 H ASP 25 2.384 -10.332 -2.497 159 HA ASP 25 HA ASP 25 1.713 -8.553 -0.260 160 HB2 ASP 25 1HB ASP 25 3.985 -7.563 -0.726 161 HB3 ASP 25 2HB ASP 25 4.001 -9.242 -0.195 162 H VAL 26 H VAL 26 1.071 -6.489 -0.565 163 HA VAL 26 HA VAL 26 0.646 -5.632 -3.343 164 HB VAL 26 HB VAL 26 -0.717 -4.821 -0.779 165 HG11 VAL 26 1HG1 VAL 26 -0.615 -2.786 -1.898 166 HG12 VAL 26 2HG1 VAL 26 -0.765 -3.540 -3.487 167 HG13 VAL 26 3HG1 VAL 26 -2.164 -3.450 -2.417 168 HG21 VAL 26 3HG2 VAL 26 -2.658 -5.812 -1.696 169 HG22 VAL 26 1HG2 VAL 26 -1.925 -5.944 -3.294 170 HG23 VAL 26 2HG2 VAL 26 -1.351 -6.963 -1.974 171 H GLU 27 H GLU 27 1.515 -3.788 -4.126 172 HA GLU 27 HA GLU 27 3.041 -2.099 -2.257 173 HB2 GLU 27 1HB GLU 27 3.855 -2.902 -5.056 174 HB3 GLU 27 2HB GLU 27 4.732 -1.785 -4.021 175 HG2 GLU 27 1HG GLU 27 5.220 -3.536 -2.452 176 HG3 GLU 27 2HG GLU 27 4.214 -4.671 -3.350 177 H LEU 28 H LEU 28 2.118 -0.168 -2.165 178 HA LEU 28 HA LEU 28 0.876 0.925 -4.600 179 HB2 LEU 28 1HB LEU 28 0.385 1.734 -1.740 180 HB3 LEU 28 2HB LEU 28 -0.492 2.296 -3.161 181 HG LEU 28 HG LEU 28 -0.496 -0.594 -2.342 182 HD11 LEU 28 1HD1 LEU 28 -2.914 0.384 -1.538 183 HD12 LEU 28 2HD1 LEU 28 -1.812 1.669 -1.046 184 HD13 LEU 28 3HD1 LEU 28 -1.556 0.021 -0.473 185 HD21 LEU 28 3HD2 LEU 28 -2.516 1.033 -3.874 186 HD22 LEU 28 1HD2 LEU 28 -2.466 -0.720 -3.679 187 HD23 LEU 28 2HD2 LEU 28 -1.227 0.097 -4.633 188 H ARG 29 H ARG 29 2.456 2.069 -5.583 189 HA ARG 29 HA ARG 29 4.160 3.832 -4.001 190 HB2 ARG 29 1HB ARG 29 4.203 3.033 -6.913 191 HB3 ARG 29 2HB ARG 29 5.299 4.220 -6.219 192 HG2 ARG 29 1HG ARG 29 6.042 2.441 -4.609 193 HG3 ARG 29 2HG ARG 29 5.106 1.293 -5.568 194 HD2 ARG 29 1HD ARG 29 7.121 3.072 -6.881 195 HD3 ARG 29 2HD ARG 29 7.639 1.606 -6.051 196 HE ARG 29 HE ARG 29 6.671 0.339 -7.721 197 HH11 ARG 29 2HH1 ARG 29 5.802 3.690 -8.092 198 HH12 ARG 29 1HH1 ARG 29 5.141 3.478 -9.679 199 HH21 ARG 29 2HH2 ARG 29 5.804 0.047 -9.810 200 HH22 ARG 29 1HH2 ARG 29 5.142 1.405 -10.655 201 H CYS 30 H CYS 30 4.533 6.060 -4.783 202 HA CYS 30 HA CYS 30 2.455 7.290 -6.365 203 HB2 CYS 30 1HB CYS 30 1.392 8.543 -4.735 204 HB3 CYS 30 2HB CYS 30 1.670 7.032 -3.877 205 HG CYS 30 HG CYS 30 3.837 9.657 -3.613 206 H GLU 31 H GLU 31 2.782 9.884 -5.918 207 HA GLU 31 HA GLU 31 5.671 10.410 -5.929 208 HB2 GLU 31 1HB GLU 31 4.659 10.179 -8.274 209 HB3 GLU 31 2HB GLU 31 3.819 11.685 -7.933 210 HG2 GLU 31 1HG GLU 31 5.727 12.934 -8.012 211 HG3 GLU 31 2HG GLU 31 6.759 11.590 -7.527 212 H LEU 32 H LEU 32 6.235 12.642 -5.536 213 HA LEU 32 HA LEU 32 4.107 14.330 -4.457 214 HB2 LEU 32 1HB LEU 32 6.599 14.078 -2.851 215 HB3 LEU 32 2HB LEU 32 4.975 14.539 -2.344 216 HG LEU 32 HG LEU 32 5.645 11.718 -3.135 217 HD11 LEU 32 1HD1 LEU 32 5.513 12.362 -0.270 218 HD12 LEU 32 2HD1 LEU 32 6.955 12.933 -1.108 219 HD13 LEU 32 3HD1 LEU 32 6.540 11.219 -1.135 220 HD21 LEU 32 3HD2 LEU 32 3.724 11.782 -1.139 221 HD22 LEU 32 1HD2 LEU 32 3.444 11.527 -2.862 222 HD23 LEU 32 2HD2 LEU 32 3.314 13.148 -2.178 223 H SER 33 H SER 33 4.438 16.477 -4.751 224 HA SER 33 HA SER 33 6.378 17.323 -6.609 225 HB2 SER 33 1HB SER 33 4.391 18.592 -6.549 226 HB3 SER 33 2HB SER 33 4.474 18.799 -4.800 227 HG SER 33 HG SER 33 5.309 20.657 -5.378 228 H ARG 34 H ARG 34 6.721 16.602 -3.382 229 HA ARG 34 HA ARG 34 9.272 18.027 -3.275 230 HB2 ARG 34 1HB ARG 34 7.441 19.328 -2.060 231 HB3 ARG 34 2HB ARG 34 7.420 18.007 -0.899 232 HG2 ARG 34 1HG ARG 34 8.876 19.380 0.158 233 HG3 ARG 34 2HG ARG 34 10.024 18.506 -0.858 234 HD2 ARG 34 1HD ARG 34 8.722 21.052 -1.772 235 HD3 ARG 34 2HD ARG 34 10.185 21.063 -0.788 236 HE ARG 34 HE ARG 34 9.986 20.433 -3.569 237 HH11 ARG 34 2HH1 ARG 34 11.790 19.813 -0.657 238 HH12 ARG 34 1HH1 ARG 34 13.247 19.392 -1.493 239 HH21 ARG 34 2HH2 ARG 34 11.899 19.881 -4.682 240 HH22 ARG 34 1HH2 ARG 34 13.309 19.432 -3.783 241 H ALA 35 H ALA 35 10.883 16.928 -2.243 242 HA ALA 35 HA ALA 35 10.371 14.142 -1.658 243 HB1 ALA 35 3HB ALA 35 12.459 15.367 -2.818 244 HB2 ALA 35 1HB ALA 35 13.056 15.264 -1.162 245 HB3 ALA 35 2HB ALA 35 12.575 13.799 -2.019 246 H GLY 36 H GLY 36 11.422 13.150 0.305 247 HA2 GLY 36 1HA GLY 36 11.547 12.939 2.587 248 HA3 GLY 36 2HA GLY 36 11.989 14.640 2.619 249 H THR 37 H THR 37 8.990 13.915 1.143 250 HA THR 37 HA THR 37 7.594 15.185 3.367 251 HB THR 37 HB THR 37 6.176 14.368 0.870 252 HG1 THR 37 1HG THR 37 8.131 15.316 0.129 253 HG21 THR 37 3HG2 THR 37 5.487 15.828 3.087 254 HG22 THR 37 1HG2 THR 37 4.661 15.889 1.530 255 HG23 THR 37 2HG2 THR 37 5.898 17.084 1.919 256 HA PRO 38 HA PRO 38 6.298 11.144 4.769 257 HB2 PRO 38 1HB PRO 38 4.891 12.052 6.906 258 HB3 PRO 38 2HB PRO 38 6.655 11.931 6.898 259 HG2 PRO 38 1HG PRO 38 4.918 14.327 6.444 260 HG3 PRO 38 2HG PRO 38 6.405 14.188 7.400 261 HD2 PRO 38 1HD PRO 38 6.370 15.240 4.905 262 HD3 PRO 38 2HD PRO 38 7.763 14.342 5.543 263 H VAL 39 H VAL 39 4.359 9.968 4.841 264 HA VAL 39 HA VAL 39 1.973 11.387 3.852 265 HB VAL 39 HB VAL 39 3.225 9.902 2.152 266 HG11 VAL 39 1HG1 VAL 39 3.569 8.005 3.676 267 HG12 VAL 39 2HG1 VAL 39 1.823 7.759 3.747 268 HG13 VAL 39 3HG1 VAL 39 2.685 7.536 2.224 269 HG21 VAL 39 3HG2 VAL 39 0.861 10.822 2.017 270 HG22 VAL 39 1HG2 VAL 39 1.207 9.392 1.044 271 HG23 VAL 39 2HG2 VAL 39 0.321 9.234 2.561 272 H HIS 40 H HIS 40 -0.070 10.364 4.362 273 HA HIS 40 HA HIS 40 0.072 8.671 6.770 274 HB2 HIS 40 1HB HIS 40 -0.744 11.180 6.910 275 HB3 HIS 40 2HB HIS 40 -2.251 10.496 6.306 276 HD1 HIS 40 1HD HIS 40 -2.072 11.739 9.123 277 HD2 HIS 40 2HD HIS 40 -1.594 7.693 8.312 278 HE1 HIS 40 1HE HIS 40 -2.608 10.554 11.275 279 HE2 HIS 40 2HE HIS 40 -2.229 8.113 10.784 280 H TRP 41 H TRP 41 -0.515 6.686 6.172 281 HA TRP 41 HA TRP 41 -2.469 6.279 4.068 282 HB2 TRP 41 1HB TRP 41 -0.937 4.283 5.749 283 HB3 TRP 41 2HB TRP 41 -1.953 3.884 4.367 284 HD1 TRP 41 HD TRP 41 1.417 5.485 5.239 285 HE1 TRP 41 1HE TRP 41 2.863 5.560 3.111 286 HE3 TRP 41 3HE TRP 41 -2.071 3.948 1.833 287 HZ2 TRP 41 2HZ TRP 41 2.564 5.037 0.353 288 HZ3 TRP 41 3HZ TRP 41 -1.411 3.763 -0.530 289 HH2 TRP 41 HH TRP 41 0.859 4.297 -1.252 290 H LEU 42 H LEU 42 -4.572 6.165 4.450 291 HA LEU 42 HA LEU 42 -5.473 5.318 7.124 292 HB2 LEU 42 1HB LEU 42 -6.869 7.120 5.152 293 HB3 LEU 42 2HB LEU 42 -7.486 6.649 6.734 294 HG LEU 42 HG LEU 42 -4.865 8.058 6.597 295 HD11 LEU 42 1HD1 LEU 42 -6.929 9.141 5.213 296 HD12 LEU 42 2HD1 LEU 42 -5.661 10.071 6.011 297 HD13 LEU 42 3HD1 LEU 42 -7.206 9.812 6.821 298 HD21 LEU 42 3HD2 LEU 42 -7.080 8.585 8.524 299 HD22 LEU 42 1HD2 LEU 42 -5.334 8.655 8.765 300 HD23 LEU 42 2HD2 LEU 42 -6.149 7.093 8.665 301 H LYS 43 H LYS 43 -6.327 3.357 7.145 302 HA LYS 43 HA LYS 43 -7.557 2.306 4.695 303 HB2 LYS 43 1HB LYS 43 -5.658 1.129 6.101 304 HB3 LYS 43 2HB LYS 43 -7.013 0.606 7.093 305 HG2 LYS 43 1HG LYS 43 -7.067 0.201 4.132 306 HG3 LYS 43 2HG LYS 43 -6.179 -0.911 5.176 307 HD2 LYS 43 1HD LYS 43 -8.463 -0.862 6.529 308 HD3 LYS 43 2HD LYS 43 -9.104 -0.443 4.938 309 HE2 LYS 43 1HE LYS 43 -9.238 -2.730 4.858 310 HE3 LYS 43 2HE LYS 43 -7.637 -2.478 4.165 311 HZ1 LYS 43 3HZ LYS 43 -6.893 -2.712 6.627 312 HZ2 LYS 43 1HZ LYS 43 -7.227 -4.096 5.714 313 HZ3 LYS 43 2HZ LYS 43 -8.371 -3.513 6.814 314 H ASP 44 H ASP 44 -9.679 2.662 4.617 315 HA ASP 44 HA ASP 44 -11.880 2.744 5.185 316 HB2 ASP 44 1HB ASP 44 -11.181 0.322 5.849 317 HB3 ASP 44 2HB ASP 44 -11.330 0.915 7.501 318 H ARG 45 H ARG 45 -10.245 4.770 6.240 319 HA ARG 45 HA ARG 45 -10.434 6.545 7.656 320 HB2 ARG 45 1HB ARG 45 -12.755 5.227 9.033 321 HB3 ARG 45 2HB ARG 45 -12.441 6.941 8.798 322 HG2 ARG 45 1HG ARG 45 -12.887 5.223 6.409 323 HG3 ARG 45 2HG ARG 45 -14.269 5.699 7.398 324 HD2 ARG 45 1HD ARG 45 -12.316 7.787 6.564 325 HD3 ARG 45 2HD ARG 45 -13.458 7.173 5.369 326 HE ARG 45 HE ARG 45 -14.840 7.855 7.724 327 HH11 ARG 45 2HH1 ARG 45 -13.162 9.331 5.054 328 HH12 ARG 45 1HH1 ARG 45 -14.086 10.795 5.114 329 HH21 ARG 45 2HH2 ARG 45 -16.064 9.778 7.812 330 HH22 ARG 45 1HH2 ARG 45 -15.736 11.049 6.683 331 H LYS 46 H LYS 46 -8.645 4.543 8.273 332 HA LYS 46 HA LYS 46 -8.525 4.802 11.179 333 HB2 LYS 46 1HB LYS 46 -8.128 2.160 9.762 334 HB3 LYS 46 2HB LYS 46 -7.933 2.451 11.486 335 HG2 LYS 46 1HG LYS 46 -10.539 2.930 10.080 336 HG3 LYS 46 2HG LYS 46 -10.090 1.348 10.721 337 HD2 LYS 46 1HD LYS 46 -9.712 2.480 12.940 338 HD3 LYS 46 2HD LYS 46 -10.450 3.924 12.243 339 HE2 LYS 46 1HE LYS 46 -12.155 2.762 13.427 340 HE3 LYS 46 2HE LYS 46 -12.458 2.521 11.707 341 HZ1 LYS 46 3HZ LYS 46 -10.922 0.545 13.272 342 HZ2 LYS 46 1HZ LYS 46 -11.742 0.330 11.808 343 HZ3 LYS 46 2HZ LYS 46 -12.613 0.510 13.246 344 H ALA 47 H ALA 47 -6.615 5.617 11.699 345 HA ALA 47 HA ALA 47 -4.514 5.985 9.879 346 HB1 ALA 47 3HB ALA 47 -4.457 6.082 12.893 347 HB2 ALA 47 1HB ALA 47 -3.199 6.706 11.826 348 HB3 ALA 47 2HB ALA 47 -4.809 7.426 11.807 349 H ILE 48 H ILE 48 -3.004 4.641 9.160 350 HA ILE 48 HA ILE 48 -2.702 2.027 10.391 351 HB ILE 48 HB ILE 48 -1.274 3.075 7.950 352 HG12 ILE 48 1HG1 ILE 48 -3.829 1.463 7.993 353 HG13 ILE 48 2HG1 ILE 48 -3.797 3.213 7.806 354 HG21 ILE 48 1HG2 ILE 48 -1.803 0.310 9.018 355 HG22 ILE 48 2HG2 ILE 48 -1.187 0.635 7.399 356 HG23 ILE 48 3HG2 ILE 48 -0.243 1.106 8.812 357 HD11 ILE 48 3HD1 ILE 48 -3.507 1.206 5.828 358 HD12 ILE 48 1HD1 ILE 48 -3.525 2.959 5.632 359 HD13 ILE 48 2HD1 ILE 48 -2.001 2.119 5.919 360 H ARG 49 H ARG 49 -0.667 1.137 10.990 361 HA ARG 49 HA ARG 49 1.344 3.165 11.720 362 HB2 ARG 49 1HB ARG 49 1.892 1.671 13.657 363 HB3 ARG 49 2HB ARG 49 0.297 2.406 13.733 364 HG2 ARG 49 1HG ARG 49 -0.704 0.323 12.942 365 HG3 ARG 49 2HG ARG 49 0.897 -0.414 12.866 366 HD2 ARG 49 1HD ARG 49 1.038 0.306 15.367 367 HD3 ARG 49 2HD ARG 49 -0.720 0.376 15.252 368 HE ARG 49 HE ARG 49 0.313 -2.084 14.251 369 HH11 ARG 49 2HH1 ARG 49 -0.483 -0.366 17.172 370 HH12 ARG 49 1HH1 ARG 49 -0.760 -1.805 18.097 371 HH21 ARG 49 2HH2 ARG 49 -0.049 -3.985 15.458 372 HH22 ARG 49 1HH2 ARG 49 -0.512 -3.863 17.122 373 H LYS 50 H LYS 50 3.437 2.766 11.229 374 HA LYS 50 HA LYS 50 4.055 0.831 9.271 375 HB2 LYS 50 1HB LYS 50 5.274 2.944 9.455 376 HB3 LYS 50 2HB LYS 50 5.900 2.462 11.026 377 HG2 LYS 50 1HG LYS 50 6.815 0.409 9.656 378 HG3 LYS 50 2HG LYS 50 6.669 1.540 8.309 379 HD2 LYS 50 1HD LYS 50 8.018 2.403 10.833 380 HD3 LYS 50 2HD LYS 50 8.893 1.406 9.669 381 HE2 LYS 50 1HE LYS 50 7.466 3.920 8.855 382 HE3 LYS 50 2HE LYS 50 9.119 3.945 9.466 383 HZ1 LYS 50 3HZ LYS 50 9.003 3.854 7.030 384 HZ2 LYS 50 1HZ LYS 50 8.208 2.363 7.124 385 HZ3 LYS 50 2HZ LYS 50 9.798 2.509 7.679 386 H SER 51 H SER 51 4.074 -1.285 9.656 387 HA SER 51 HA SER 51 5.752 -2.299 11.814 388 HB2 SER 51 1HB SER 51 3.886 -3.997 12.343 389 HB3 SER 51 2HB SER 51 3.704 -2.361 12.976 390 HG SER 51 HG SER 51 2.190 -1.930 11.455 391 H GLN 52 H GLN 52 6.108 -4.671 11.614 392 HA GLN 52 HA GLN 52 7.219 -5.469 9.318 393 HB2 GLN 52 1HB GLN 52 5.801 -7.015 11.440 394 HB3 GLN 52 2HB GLN 52 6.329 -7.868 9.995 395 HG2 GLN 52 1HG GLN 52 7.919 -7.921 11.929 396 HG3 GLN 52 2HG GLN 52 8.595 -7.357 10.403 397 HE21 GLN 52 1HE2 GLN 52 7.153 -6.196 13.415 398 HE22 GLN 52 2HE2 GLN 52 8.094 -4.751 13.515 399 H LYS 53 H LYS 53 3.787 -5.383 9.950 400 HA LYS 53 HA LYS 53 3.087 -6.821 7.549 401 HB2 LYS 53 1HB LYS 53 1.563 -7.073 9.344 402 HB3 LYS 53 2HB LYS 53 1.496 -5.340 9.635 403 HG2 LYS 53 1HG LYS 53 -0.549 -6.074 8.601 404 HG3 LYS 53 2HG LYS 53 0.346 -5.045 7.480 405 HD2 LYS 53 1HD LYS 53 -0.233 -6.759 6.077 406 HD3 LYS 53 2HD LYS 53 1.318 -7.359 6.669 407 HE2 LYS 53 1HE LYS 53 -1.310 -8.063 7.954 408 HE3 LYS 53 2HE LYS 53 -0.596 -9.016 6.654 409 HZ1 LYS 53 3HZ LYS 53 0.353 -10.101 8.358 410 HZ2 LYS 53 1HZ LYS 53 0.178 -8.812 9.440 411 HZ3 LYS 53 2HZ LYS 53 1.461 -8.823 8.338 412 H TYR 54 H TYR 54 2.769 -3.456 8.673 413 HA TYR 54 HA TYR 54 2.383 -2.635 5.875 414 HB2 TYR 54 1HB TYR 54 1.730 -1.151 8.430 415 HB3 TYR 54 2HB TYR 54 1.448 -0.546 6.802 416 HD1 TYR 54 2HD TYR 54 0.031 -2.237 5.280 417 HD2 TYR 54 1HD TYR 54 -0.056 -2.100 9.532 418 HE1 TYR 54 2HE TYR 54 -2.183 -3.307 5.263 419 HE2 TYR 54 1HE TYR 54 -2.271 -3.170 9.527 420 HH TYR 54 HH TYR 54 -4.219 -3.352 6.902 421 H ASP 55 H ASP 55 4.151 -1.913 4.911 422 HA ASP 55 HA ASP 55 6.233 -0.617 6.529 423 HB2 ASP 55 1HB ASP 55 6.342 -1.939 3.815 424 HB3 ASP 55 2HB ASP 55 7.686 -1.039 4.512 425 H VAL 56 H VAL 56 6.556 1.500 6.361 426 HA VAL 56 HA VAL 56 5.289 2.928 4.120 427 HB VAL 56 HB VAL 56 6.180 4.222 6.683 428 HG11 VAL 56 1HG1 VAL 56 5.626 5.578 4.640 429 HG12 VAL 56 2HG1 VAL 56 3.970 4.986 4.785 430 HG13 VAL 56 3HG1 VAL 56 4.676 5.960 6.076 431 HG21 VAL 56 3HG2 VAL 56 4.695 2.445 7.359 432 HG22 VAL 56 1HG2 VAL 56 3.848 3.986 7.482 433 HG23 VAL 56 2HG2 VAL 56 3.523 2.908 6.126 434 H VAL 57 H VAL 57 6.769 3.239 2.570 435 HA VAL 57 HA VAL 57 9.459 4.137 3.359 436 HB VAL 57 HB VAL 57 8.629 3.045 0.670 437 HG11 VAL 57 1HG1 VAL 57 11.160 4.016 1.861 438 HG12 VAL 57 2HG1 VAL 57 11.254 2.595 0.818 439 HG13 VAL 57 3HG1 VAL 57 10.582 4.103 0.197 440 HG21 VAL 57 3HG2 VAL 57 8.723 0.978 1.477 441 HG22 VAL 57 1HG2 VAL 57 10.336 1.277 2.125 442 HG23 VAL 57 2HG2 VAL 57 8.912 1.640 3.101 443 H CYS 58 H CYS 58 10.245 6.059 2.672 444 HA CYS 58 HA CYS 58 8.813 7.566 0.629 445 HB2 CYS 58 1HB CYS 58 7.754 8.178 2.791 446 HB3 CYS 58 2HB CYS 58 9.325 8.704 3.384 447 HG CYS 58 HG CYS 58 8.568 10.174 0.510 448 H GLU 59 H GLU 59 10.419 7.915 -0.768 449 HA GLU 59 HA GLU 59 12.702 9.473 0.083 450 HB2 GLU 59 1HB GLU 59 12.917 6.617 -0.754 451 HB3 GLU 59 2HB GLU 59 14.167 7.735 -1.282 452 HG2 GLU 59 1HG GLU 59 14.343 8.398 1.186 453 HG3 GLU 59 2HG GLU 59 13.433 6.923 1.503 454 H GLY 60 H GLY 60 13.917 10.352 -1.710 455 HA2 GLY 60 1HA GLY 60 13.756 11.630 -3.647 456 HA3 GLY 60 2HA GLY 60 13.724 10.024 -4.359 457 H THR 61 H THR 61 11.442 12.191 -2.676 458 HA THR 61 HA THR 61 9.203 12.545 -3.024 459 HB THR 61 HB THR 61 8.660 13.475 -5.166 460 HG1 THR 61 1HG THR 61 11.077 12.335 -6.160 461 HG21 THR 61 3HG2 THR 61 11.417 14.345 -5.329 462 HG22 THR 61 1HG2 THR 61 10.855 14.288 -3.659 463 HG23 THR 61 2HG2 THR 61 9.980 15.249 -4.851 464 H MET 62 H MET 62 9.752 9.810 -2.818 465 HA MET 62 HA MET 62 7.595 8.739 -4.480 466 HB2 MET 62 1HB MET 62 9.332 7.894 -5.753 467 HB3 MET 62 2HB MET 62 10.412 7.746 -4.372 468 HG2 MET 62 1HG MET 62 7.992 6.032 -4.437 469 HG3 MET 62 2HG MET 62 9.318 5.645 -5.532 470 HE1 MET 62 3HE MET 62 8.713 3.509 -2.289 471 HE2 MET 62 1HE MET 62 8.504 5.001 -1.373 472 HE3 MET 62 2HE MET 62 7.639 4.771 -2.893 473 H ALA 63 H ALA 63 6.125 7.886 -3.179 474 HA ALA 63 HA ALA 63 7.015 6.716 -0.623 475 HB1 ALA 63 3HB ALA 63 5.393 7.801 0.466 476 HB2 ALA 63 1HB ALA 63 5.278 8.811 -0.976 477 HB3 ALA 63 2HB ALA 63 4.193 7.435 -0.774 478 H MET 64 H MET 64 6.611 4.625 -0.283 479 HA MET 64 HA MET 64 4.589 3.298 -1.962 480 HB2 MET 64 1HB MET 64 6.896 2.785 -2.728 481 HB3 MET 64 2HB MET 64 7.251 2.127 -1.137 482 HG2 MET 64 1HG MET 64 5.592 0.397 -1.443 483 HG3 MET 64 2HG MET 64 5.129 1.085 -2.998 484 HE1 MET 64 3HE MET 64 8.114 0.323 -0.961 485 HE2 MET 64 1HE MET 64 8.239 -1.374 -1.425 486 HE3 MET 64 2HE MET 64 9.354 -0.190 -2.106 487 H LEU 65 H LEU 65 3.726 1.298 -1.042 488 HA LEU 65 HA LEU 65 4.030 1.043 1.858 489 HB2 LEU 65 1HB LEU 65 2.130 2.502 1.575 490 HB3 LEU 65 2HB LEU 65 1.410 1.393 0.410 491 HG LEU 65 HG LEU 65 1.425 -0.278 2.416 492 HD11 LEU 65 1HD1 LEU 65 2.142 2.281 3.663 493 HD12 LEU 65 2HD1 LEU 65 2.386 0.630 4.230 494 HD13 LEU 65 3HD1 LEU 65 0.821 1.413 4.444 495 HD21 LEU 65 3HD2 LEU 65 -0.804 0.167 2.706 496 HD22 LEU 65 1HD2 LEU 65 -0.500 1.035 1.201 497 HD23 LEU 65 2HD2 LEU 65 -0.567 1.915 2.728 498 H VAL 66 H VAL 66 4.452 -1.004 2.314 499 HA VAL 66 HA VAL 66 3.600 -3.090 0.436 500 HB VAL 66 HB VAL 66 5.522 -3.432 2.732 501 HG11 VAL 66 1HG1 VAL 66 6.356 -5.260 1.165 502 HG12 VAL 66 2HG1 VAL 66 4.798 -5.527 1.951 503 HG13 VAL 66 3HG1 VAL 66 4.860 -5.012 0.264 504 HG21 VAL 66 3HG2 VAL 66 7.262 -3.255 0.834 505 HG22 VAL 66 1HG2 VAL 66 5.998 -2.382 -0.033 506 HG23 VAL 66 2HG2 VAL 66 6.595 -1.768 1.508 507 H ILE 67 H ILE 67 1.990 -4.423 0.926 508 HA ILE 67 HA ILE 67 1.071 -4.534 3.721 509 HB ILE 67 HB ILE 67 -0.488 -5.081 1.192 510 HG12 ILE 67 1HG1 ILE 67 -1.140 -2.893 3.117 511 HG13 ILE 67 2HG1 ILE 67 0.198 -2.650 2.000 512 HG21 ILE 67 1HG2 ILE 67 -1.990 -6.127 2.443 513 HG22 ILE 67 2HG2 ILE 67 -0.935 -5.951 3.845 514 HG23 ILE 67 3HG2 ILE 67 -2.133 -4.709 3.483 515 HD11 ILE 67 3HD1 ILE 67 -1.163 -2.584 0.171 516 HD12 ILE 67 1HD1 ILE 67 -2.403 -3.591 0.918 517 HD13 ILE 67 2HD1 ILE 67 -2.235 -1.901 1.393 518 H ARG 68 H ARG 68 2.754 -6.173 4.072 519 HA ARG 68 HA ARG 68 3.075 -8.573 2.823 520 HB2 ARG 68 1HB ARG 68 3.291 -7.716 5.669 521 HB3 ARG 68 2HB ARG 68 3.370 -9.438 5.320 522 HG2 ARG 68 1HG ARG 68 5.115 -7.446 3.910 523 HG3 ARG 68 2HG ARG 68 5.567 -8.174 5.453 524 HD2 ARG 68 1HD ARG 68 4.716 -9.923 3.188 525 HD3 ARG 68 2HD ARG 68 6.345 -9.249 3.200 526 HE ARG 68 HE ARG 68 5.345 -11.364 4.843 527 HH11 ARG 68 2HH1 ARG 68 7.640 -8.751 4.693 528 HH12 ARG 68 1HH1 ARG 68 8.729 -9.468 5.834 529 HH21 ARG 68 2HH2 ARG 68 6.771 -12.319 6.347 530 HH22 ARG 68 1HH2 ARG 68 8.234 -11.498 6.773 531 H GLY 69 H GLY 69 1.963 -10.425 2.567 532 HA2 GLY 69 1HA GLY 69 0.122 -11.804 2.493 533 HA3 GLY 69 2HA GLY 69 0.123 -11.594 4.238 534 H ALA 70 H ALA 70 -1.111 -10.280 1.207 535 HA ALA 70 HA ALA 70 -3.089 -8.686 2.640 536 HB1 ALA 70 3HB ALA 70 -1.888 -7.730 0.697 537 HB2 ALA 70 1HB ALA 70 -2.658 -8.936 -0.334 538 HB3 ALA 70 2HB ALA 70 -3.640 -7.730 0.499 539 H SER 71 H SER 71 -4.660 -9.977 3.444 540 HA SER 71 HA SER 71 -5.780 -12.109 1.809 541 HB2 SER 71 1HB SER 71 -6.411 -11.241 4.640 542 HB3 SER 71 2HB SER 71 -7.100 -12.650 3.835 543 HG SER 71 HG SER 71 -5.305 -13.708 4.157 544 H LEU 72 H LEU 72 -8.306 -12.292 2.099 545 HA LEU 72 HA LEU 72 -9.505 -10.407 0.496 546 HB2 LEU 72 1HB LEU 72 -10.917 -11.983 2.639 547 HB3 LEU 72 2HB LEU 72 -11.623 -11.327 1.164 548 HG LEU 72 HG LEU 72 -9.459 -13.407 1.077 549 HD11 LEU 72 1HD1 LEU 72 -10.834 -15.064 1.640 550 HD12 LEU 72 2HD1 LEU 72 -12.149 -14.410 0.664 551 HD13 LEU 72 3HD1 LEU 72 -11.896 -13.824 2.308 552 HD21 LEU 72 3HD2 LEU 72 -11.128 -11.993 -0.829 553 HD22 LEU 72 1HD2 LEU 72 -11.246 -13.744 -1.004 554 HD23 LEU 72 2HD2 LEU 72 -9.672 -12.953 -1.094 555 H LYS 73 H LYS 73 -9.012 -10.338 3.947 556 HA LYS 73 HA LYS 73 -10.835 -8.236 4.526 557 HB2 LYS 73 1HB LYS 73 -9.598 -9.950 6.100 558 HB3 LYS 73 2HB LYS 73 -8.375 -8.688 6.167 559 HG2 LYS 73 1HG LYS 73 -9.770 -8.344 8.028 560 HG3 LYS 73 2HG LYS 73 -10.221 -7.107 6.852 561 HD2 LYS 73 1HD LYS 73 -12.210 -8.210 6.287 562 HD3 LYS 73 2HD LYS 73 -11.674 -9.731 7.005 563 HE2 LYS 73 1HE LYS 73 -11.730 -8.608 9.234 564 HE3 LYS 73 2HE LYS 73 -12.445 -7.199 8.451 565 HZ1 LYS 73 3HZ LYS 73 -13.868 -9.181 9.518 566 HZ2 LYS 73 1HZ LYS 73 -13.762 -9.728 7.920 567 HZ3 LYS 73 2HZ LYS 73 -14.427 -8.208 8.252 568 H ASP 74 H ASP 74 -7.336 -8.317 3.928 569 HA ASP 74 HA ASP 74 -6.602 -5.743 4.388 570 HB2 ASP 74 1HB ASP 74 -5.788 -7.595 2.152 571 HB3 ASP 74 2HB ASP 74 -5.032 -6.022 2.389 572 H ALA 75 H ALA 75 -8.424 -6.946 1.626 573 HA ALA 75 HA ALA 75 -8.355 -4.819 -0.100 574 HB1 ALA 75 3HB ALA 75 -10.551 -6.742 0.583 575 HB2 ALA 75 1HB ALA 75 -10.779 -5.485 -0.634 576 HB3 ALA 75 2HB ALA 75 -9.515 -6.698 -0.844 577 H GLY 76 H GLY 76 -8.820 -2.732 0.089 578 HA2 GLY 76 1HA GLY 76 -11.196 -1.735 1.242 579 HA3 GLY 76 2HA GLY 76 -9.878 -1.552 2.390 580 H GLU 77 H GLU 77 -10.544 0.762 2.048 581 HA GLU 77 HA GLU 77 -9.420 1.904 -0.407 582 HB2 GLU 77 1HB GLU 77 -11.770 2.472 0.687 583 HB3 GLU 77 2HB GLU 77 -10.794 3.580 1.642 584 HG2 GLU 77 1HG GLU 77 -9.879 4.397 -0.612 585 HG3 GLU 77 2HG GLU 77 -11.266 3.564 -1.312 586 H TYR 78 H TYR 78 -7.541 2.959 -0.412 587 HA TYR 78 HA TYR 78 -6.282 3.538 2.185 588 HB2 TYR 78 1HB TYR 78 -5.136 2.728 -0.474 589 HB3 TYR 78 2HB TYR 78 -4.138 3.526 0.736 590 HD1 TYR 78 1HD TYR 78 -3.664 2.408 2.884 591 HD2 TYR 78 2HD TYR 78 -5.813 0.443 -0.218 592 HE1 TYR 78 1HE TYR 78 -3.262 0.245 3.984 593 HE2 TYR 78 2HE TYR 78 -5.418 -1.725 0.874 594 HH TYR 78 HH TYR 78 -4.143 -2.785 2.455 595 H THR 79 H THR 79 -6.717 5.622 2.622 596 HA THR 79 HA THR 79 -6.549 7.621 0.501 597 HB THR 79 HB THR 79 -7.389 7.916 3.392 598 HG1 THR 79 1HG THR 79 -8.723 6.740 1.641 599 HG21 THR 79 3HG2 THR 79 -6.769 9.863 1.328 600 HG22 THR 79 1HG2 THR 79 -7.071 10.103 3.049 601 HG23 THR 79 2HG2 THR 79 -8.423 10.024 1.918 602 H CYS 80 H CYS 80 -4.601 8.426 0.082 603 HA CYS 80 HA CYS 80 -2.546 8.499 2.125 604 HB2 CYS 80 1HB CYS 80 -2.645 8.815 -0.824 605 HB3 CYS 80 2HB CYS 80 -1.369 9.687 0.017 606 HG CYS 80 HG CYS 80 -0.514 7.242 1.331 607 H GLU 81 H GLU 81 -3.070 10.072 3.588 608 HA GLU 81 HA GLU 81 -3.827 12.721 2.694 609 HB2 GLU 81 1HB GLU 81 -4.581 11.386 4.851 610 HB3 GLU 81 2HB GLU 81 -3.141 12.125 5.538 611 HG2 GLU 81 1HG GLU 81 -4.202 14.306 4.488 612 HG3 GLU 81 2HG GLU 81 -5.685 13.371 4.667 613 H VAL 82 H VAL 82 -2.444 14.299 2.260 614 HA VAL 82 HA VAL 82 0.263 14.158 3.422 615 HB VAL 82 HB VAL 82 -0.145 13.847 0.817 616 HG11 VAL 82 1HG1 VAL 82 -1.360 16.071 0.750 617 HG12 VAL 82 2HG1 VAL 82 0.217 16.828 0.983 618 HG13 VAL 82 3HG1 VAL 82 -0.085 15.839 -0.446 619 HG21 VAL 82 3HG2 VAL 82 2.010 14.408 2.429 620 HG22 VAL 82 1HG2 VAL 82 2.085 13.976 0.721 621 HG23 VAL 82 2HG2 VAL 82 2.096 15.672 1.203 622 H GLU 83 H GLU 83 1.299 16.530 2.851 623 HA GLU 83 HA GLU 83 0.639 18.283 4.725 624 HB2 GLU 83 1HB GLU 83 1.002 19.643 2.130 625 HB3 GLU 83 2HB GLU 83 1.900 19.819 3.631 626 HG2 GLU 83 1HG GLU 83 2.210 17.622 1.599 627 HG3 GLU 83 2HG GLU 83 3.335 18.943 1.910 628 H ALA 84 H ALA 84 -0.641 18.958 1.473 629 HA ALA 84 HA ALA 84 -3.169 19.794 2.739 630 HB1 ALA 84 3HB ALA 84 -1.548 21.158 0.621 631 HB2 ALA 84 1HB ALA 84 -3.285 21.434 0.754 632 HB3 ALA 84 2HB ALA 84 -2.224 21.822 2.109 633 H SER 85 H SER 85 -1.582 18.109 0.165 634 HA SER 85 HA SER 85 -3.951 17.741 -1.427 635 HB2 SER 85 1HB SER 85 -1.364 17.655 -2.082 636 HB3 SER 85 2HB SER 85 -1.598 15.940 -1.745 637 HG SER 85 HG SER 85 -3.649 16.664 -3.192 638 H LYS 86 H LYS 86 -4.425 15.345 -2.082 639 HA LYS 86 HA LYS 86 -4.163 13.376 -0.023 640 HB2 LYS 86 1HB LYS 86 -6.738 14.891 -0.332 641 HB3 LYS 86 2HB LYS 86 -6.749 13.215 0.203 642 HG2 LYS 86 1HG LYS 86 -4.927 14.177 1.897 643 HG3 LYS 86 2HG LYS 86 -5.850 15.654 1.609 644 HD2 LYS 86 1HD LYS 86 -6.882 13.015 2.639 645 HD3 LYS 86 2HD LYS 86 -6.796 14.548 3.510 646 HE2 LYS 86 1HE LYS 86 -8.424 14.179 1.007 647 HE3 LYS 86 2HE LYS 86 -9.072 13.880 2.619 648 HZ1 LYS 86 3HZ LYS 86 -7.796 16.457 1.953 649 HZ2 LYS 86 1HZ LYS 86 -8.899 16.107 3.188 650 HZ3 LYS 86 2HZ LYS 86 -9.422 16.173 1.581 651 H SER 87 H SER 87 -4.725 11.326 -0.723 652 HA SER 87 HA SER 87 -5.887 11.109 -3.413 653 HB2 SER 87 1HB SER 87 -3.374 10.940 -3.485 654 HB3 SER 87 2HB SER 87 -3.505 9.490 -2.490 655 HG SER 87 HG SER 87 -3.730 9.681 -5.115 656 H THR 88 H THR 88 -6.519 8.809 -3.916 657 HA THR 88 HA THR 88 -7.069 7.119 -1.626 658 HB THR 88 HB THR 88 -9.420 8.021 -3.281 659 HG1 THR 88 1HG THR 88 -9.408 9.802 -2.152 660 HG21 THR 88 3HG2 THR 88 -10.017 6.047 -2.236 661 HG22 THR 88 1HG2 THR 88 -10.529 7.242 -1.045 662 HG23 THR 88 2HG2 THR 88 -9.013 6.369 -0.822 663 H ALA 89 H ALA 89 -7.878 5.018 -2.221 664 HA ALA 89 HA ALA 89 -8.136 4.305 -4.991 665 HB1 ALA 89 3HB ALA 89 -5.767 3.172 -3.515 666 HB2 ALA 89 1HB ALA 89 -6.220 2.897 -5.198 667 HB3 ALA 89 2HB ALA 89 -5.662 4.490 -4.683 668 H SER 90 H SER 90 -8.351 1.866 -5.219 669 HA SER 90 HA SER 90 -9.509 0.704 -2.772 670 HB2 SER 90 1HB SER 90 -10.648 0.739 -5.567 671 HB3 SER 90 2HB SER 90 -11.178 -0.422 -4.350 672 HG SER 90 HG SER 90 -11.383 2.400 -4.282 673 H LEU 91 H LEU 91 -8.533 -1.115 -2.212 674 HA LEU 91 HA LEU 91 -6.889 -2.532 -4.153 675 HB2 LEU 91 1HB LEU 91 -5.789 -2.143 -2.110 676 HB3 LEU 91 2HB LEU 91 -7.183 -2.671 -1.169 677 HG LEU 91 HG LEU 91 -6.773 -4.988 -1.924 678 HD11 LEU 91 1HD1 LEU 91 -4.060 -4.281 -2.870 679 HD12 LEU 91 2HD1 LEU 91 -5.402 -3.967 -3.970 680 HD13 LEU 91 3HD1 LEU 91 -5.128 -5.597 -3.357 681 HD21 LEU 91 3HD2 LEU 91 -5.853 -4.116 0.200 682 HD22 LEU 91 1HD2 LEU 91 -4.360 -3.709 -0.645 683 HD23 LEU 91 2HD2 LEU 91 -4.865 -5.394 -0.508 684 H HIS 92 H HIS 92 -7.221 -4.606 -4.829 685 HA HIS 92 HA HIS 92 -9.746 -5.870 -3.985 686 HB2 HIS 92 1HB HIS 92 -8.404 -6.011 -6.694 687 HB3 HIS 92 2HB HIS 92 -9.891 -6.840 -6.244 688 HD1 HIS 92 1HD HIS 92 -11.938 -5.177 -5.593 689 HD2 HIS 92 2HD HIS 92 -8.771 -3.514 -7.706 690 HE1 HIS 92 1HE HIS 92 -12.824 -3.027 -6.551 691 HE2 HIS 92 2HE HIS 92 -10.916 -2.081 -7.895 692 H VAL 93 H VAL 93 -9.788 -8.121 -3.750 693 HA VAL 93 HA VAL 93 -7.323 -9.625 -4.069 694 HB VAL 93 HB VAL 93 -8.602 -9.211 -1.367 695 HG11 VAL 93 1HG1 VAL 93 -6.609 -10.793 -0.729 696 HG12 VAL 93 2HG1 VAL 93 -8.155 -11.461 -1.256 697 HG13 VAL 93 3HG1 VAL 93 -6.806 -11.359 -2.387 698 HG21 VAL 93 3HG2 VAL 93 -6.948 -7.515 -2.175 699 HG22 VAL 93 1HG2 VAL 93 -6.479 -8.348 -0.693 700 HG23 VAL 93 2HG2 VAL 93 -5.743 -8.802 -2.230 701 H GLU 94 H GLU 94 -7.983 -11.364 -5.138 702 HA GLU 94 HA GLU 94 -10.393 -12.759 -4.188 703 HB2 GLU 94 1HB GLU 94 -9.582 -12.309 -7.065 704 HB3 GLU 94 2HB GLU 94 -10.892 -13.360 -6.548 705 HG2 GLU 94 1HG GLU 94 -10.859 -10.477 -5.765 706 HG3 GLU 94 2HG GLU 94 -11.432 -10.974 -7.356 707 H GLU 95 H GLU 95 -10.201 -14.912 -3.926 708 HA GLU 95 HA GLU 95 -7.651 -16.106 -3.896 709 HB2 GLU 95 1HB GLU 95 -9.737 -16.741 -2.546 710 HB3 GLU 95 2HB GLU 95 -10.241 -17.640 -3.970 711 HG2 GLU 95 1HG GLU 95 -8.108 -18.911 -3.847 712 HG3 GLU 95 2HG GLU 95 -7.764 -18.090 -2.325 713 H LYS 96 H LYS 96 -6.964 -18.018 -5.091 714 HA LYS 96 HA LYS 96 -8.054 -18.135 -7.823 715 HB2 LYS 96 1HB LYS 96 -5.250 -17.689 -6.921 716 HB3 LYS 96 2HB LYS 96 -5.500 -18.688 -8.346 717 HG2 LYS 96 1HG LYS 96 -6.930 -16.764 -9.226 718 HG3 LYS 96 2HG LYS 96 -6.203 -15.803 -7.936 719 HD2 LYS 96 1HD LYS 96 -4.720 -15.370 -9.620 720 HD3 LYS 96 2HD LYS 96 -3.970 -16.812 -8.933 721 HE2 LYS 96 1HE LYS 96 -3.983 -17.213 -11.235 722 HE3 LYS 96 2HE LYS 96 -5.369 -18.120 -10.631 723 HZ1 LYS 96 3HZ LYS 96 -6.742 -16.131 -11.245 724 HZ2 LYS 96 1HZ LYS 96 -6.083 -16.981 -12.551 725 HZ3 LYS 96 2HZ LYS 96 -5.387 -15.522 -12.054 726 H ALA 97 H ALA 97 -6.950 -20.132 -8.981 727 HA ALA 97 HA ALA 97 -7.900 -22.438 -7.679 728 HB1 ALA 97 3HB ALA 97 -7.251 -23.627 -9.578 729 HB2 ALA 97 1HB ALA 97 -7.585 -22.006 -10.188 730 HB3 ALA 97 2HB ALA 97 -5.919 -22.526 -9.928 731 H SER 98 H SER 98 -6.585 -24.412 -7.259 732 HA SER 98 HA SER 98 -3.819 -23.982 -6.503 733 HB2 SER 98 1HB SER 98 -5.447 -23.293 -4.566 734 HB3 SER 98 2HB SER 98 -5.615 -25.034 -4.343 735 HG SER 98 HG SER 98 -3.800 -24.934 -3.309 736 H GLY 99 H GLY 99 -2.901 -26.061 -5.513 737 HA2 GLY 99 1HA GLY 99 -3.596 -28.221 -7.283 738 HA3 GLY 99 2HA GLY 99 -2.310 -28.224 -6.085 739 HA PRO 100 HA PRO 100 -5.842 -30.983 -4.711 740 HB2 PRO 100 1HB PRO 100 -4.359 -33.245 -4.479 741 HB3 PRO 100 2HB PRO 100 -5.159 -32.770 -5.982 742 HG2 PRO 100 1HG PRO 100 -2.299 -32.425 -5.167 743 HG3 PRO 100 2HG PRO 100 -2.963 -32.942 -6.728 744 HD2 PRO 100 1HD PRO 100 -2.098 -30.416 -6.278 745 HD3 PRO 100 2HD PRO 100 -3.437 -30.784 -7.384 746 H SER 101 H SER 101 -6.283 -31.133 -2.596 747 HA SER 101 HA SER 101 -4.270 -30.394 -0.673 748 HB2 SER 101 1HB SER 101 -7.220 -30.892 -0.591 749 HB3 SER 101 2HB SER 101 -6.311 -30.918 0.920 750 HG SER 101 HG SER 101 -7.208 -28.812 -0.322 751 H SER 102 H SER 102 -6.426 -33.214 -1.030 752 HA SER 102 HA SER 102 -5.330 -34.783 0.979 753 HB2 SER 102 1HB SER 102 -6.284 -36.718 -0.254 754 HB3 SER 102 2HB SER 102 -7.422 -35.378 -0.115 755 HG SER 102 HG SER 102 -6.270 -36.483 -2.346 756 H GLY 103 H GLY 103 -3.333 -35.514 1.241 757 HA2 GLY 103 1HA GLY 103 -1.443 -36.779 0.681 758 HA3 GLY 103 2HA GLY 103 -1.917 -36.699 -1.009 Start of MODEL 11 1 H1 GLY 1 H GLY 1 16.577 41.648 1.861 2 HA2 GLY 1 1HA GLY 1 16.006 41.255 -0.337 3 HA3 GLY 1 2HA GLY 1 17.040 39.834 -0.297 4 H SER 2 H SER 2 14.813 39.595 -1.726 5 HA SER 2 HA SER 2 12.493 38.793 -0.352 6 HB2 SER 2 1HB SER 2 11.871 37.684 -2.492 7 HB3 SER 2 2HB SER 2 12.420 39.344 -2.719 8 HG SER 2 HG SER 2 14.334 37.324 -2.870 9 H SER 3 H SER 3 12.497 37.241 1.141 10 HA SER 3 HA SER 3 13.885 34.716 0.519 11 HB2 SER 3 1HB SER 3 14.709 36.136 2.511 12 HB3 SER 3 2HB SER 3 13.226 35.622 3.315 13 HG SER 3 HG SER 3 14.771 33.645 2.111 14 H GLY 4 H GLY 4 12.350 33.386 -0.246 15 HA2 GLY 4 1HA GLY 4 10.538 32.069 1.308 16 HA3 GLY 4 2HA GLY 4 9.639 33.457 0.713 17 H SER 5 H SER 5 11.496 30.627 -0.303 18 HA SER 5 HA SER 5 10.516 30.816 -3.018 19 HB2 SER 5 1HB SER 5 12.191 28.717 -1.623 20 HB3 SER 5 2HB SER 5 11.779 28.682 -3.337 21 HG SER 5 HG SER 5 12.914 31.024 -2.350 22 H SER 6 H SER 6 8.609 30.074 -3.639 23 HA SER 6 HA SER 6 6.973 28.481 -1.920 24 HB2 SER 6 1HB SER 6 6.657 29.662 -4.657 25 HB3 SER 6 2HB SER 6 5.508 28.446 -4.098 26 HG SER 6 HG SER 6 4.818 29.785 -2.542 27 H GLY 7 H GLY 7 5.960 26.440 -2.570 28 HA2 GLY 7 1HA GLY 7 6.536 24.737 -4.571 29 HA3 GLY 7 2HA GLY 7 7.973 24.606 -3.566 30 HA PRO 8 HA PRO 8 4.111 22.883 -1.143 31 HB2 PRO 8 1HB PRO 8 2.157 21.923 -2.765 32 HB3 PRO 8 2HB PRO 8 2.164 23.578 -2.146 33 HG2 PRO 8 1HG PRO 8 3.023 22.554 -4.824 34 HG3 PRO 8 2HG PRO 8 2.076 24.000 -4.431 35 HD2 PRO 8 1HD PRO 8 4.719 24.103 -5.009 36 HD3 PRO 8 2HD PRO 8 3.946 25.227 -3.873 37 H ALA 9 H ALA 9 3.721 20.681 -0.643 38 HA ALA 9 HA ALA 9 5.209 18.796 -2.349 39 HB1 ALA 9 3HB ALA 9 4.655 18.397 0.575 40 HB2 ALA 9 1HB ALA 9 5.857 17.597 -0.438 41 HB3 ALA 9 2HB ALA 9 6.059 19.294 -0.002 42 H ALA 10 H ALA 10 2.554 19.360 -2.971 43 HA ALA 10 HA ALA 10 0.762 17.478 -1.793 44 HB1 ALA 10 3HB ALA 10 -0.838 18.430 -3.079 45 HB2 ALA 10 1HB ALA 10 0.377 19.699 -3.234 46 HB3 ALA 10 2HB ALA 10 0.192 18.494 -4.509 47 H ILE 11 H ILE 11 -0.462 15.940 -3.371 48 HA ILE 11 HA ILE 11 1.575 14.209 -4.567 49 HB ILE 11 HB ILE 11 -1.308 13.571 -3.933 50 HG12 ILE 11 1HG1 ILE 11 1.071 12.561 -2.400 51 HG13 ILE 11 2HG1 ILE 11 0.348 14.116 -2.000 52 HG21 ILE 11 1HG2 ILE 11 0.598 12.234 -5.525 53 HG22 ILE 11 2HG2 ILE 11 0.419 11.302 -4.040 54 HG23 ILE 11 3HG2 ILE 11 -0.995 11.667 -5.028 55 HD11 ILE 11 3HD1 ILE 11 -1.628 13.152 -1.284 56 HD12 ILE 11 1HD1 ILE 11 -1.336 11.654 -2.167 57 HD13 ILE 11 2HD1 ILE 11 -0.401 12.020 -0.717 58 H ILE 12 H ILE 12 1.890 14.431 -6.677 59 HA ILE 12 HA ILE 12 -0.201 15.480 -8.392 60 HB ILE 12 HB ILE 12 1.702 15.019 -10.159 61 HG12 ILE 12 1HG1 ILE 12 2.975 13.818 -8.191 62 HG13 ILE 12 2HG1 ILE 12 3.859 14.789 -9.364 63 HG21 ILE 12 1HG2 ILE 12 1.404 17.204 -8.159 64 HG22 ILE 12 2HG2 ILE 12 2.782 17.240 -9.258 65 HG23 ILE 12 3HG2 ILE 12 1.141 17.226 -9.903 66 HD11 ILE 12 3HD1 ILE 12 4.136 15.020 -6.706 67 HD12 ILE 12 1HD1 ILE 12 4.429 16.336 -7.842 68 HD13 ILE 12 2HD1 ILE 12 2.886 16.230 -6.994 69 H LYS 13 H LYS 13 1.532 12.463 -7.868 70 HA LYS 13 HA LYS 13 -0.148 11.170 -9.908 71 HB2 LYS 13 1HB LYS 13 2.462 10.293 -8.661 72 HB3 LYS 13 2HB LYS 13 1.519 9.308 -9.771 73 HG2 LYS 13 1HG LYS 13 1.751 11.146 -11.456 74 HG3 LYS 13 2HG LYS 13 2.884 11.924 -10.348 75 HD2 LYS 13 1HD LYS 13 4.494 10.305 -10.644 76 HD3 LYS 13 2HD LYS 13 3.318 9.069 -11.098 77 HE2 LYS 13 1HE LYS 13 4.601 9.692 -13.038 78 HE3 LYS 13 2HE LYS 13 2.945 10.267 -13.230 79 HZ1 LYS 13 3HZ LYS 13 5.267 11.913 -12.381 80 HZ2 LYS 13 1HZ LYS 13 3.677 12.469 -12.538 81 HZ3 LYS 13 2HZ LYS 13 4.530 11.949 -13.903 82 HA PRO 14 HA PRO 14 -2.203 9.697 -6.137 83 HB2 PRO 14 1HB PRO 14 -4.514 9.047 -7.405 84 HB3 PRO 14 2HB PRO 14 -4.132 10.694 -6.890 85 HG2 PRO 14 1HG PRO 14 -3.873 9.448 -9.600 86 HG3 PRO 14 2HG PRO 14 -4.490 11.051 -9.160 87 HD2 PRO 14 1HD PRO 14 -1.985 10.665 -10.114 88 HD3 PRO 14 2HD PRO 14 -2.376 11.944 -8.946 89 H LEU 15 H LEU 15 -2.851 7.619 -5.448 90 HA LEU 15 HA LEU 15 -1.466 5.469 -6.639 91 HB2 LEU 15 1HB LEU 15 -3.743 5.205 -4.696 92 HB3 LEU 15 2HB LEU 15 -2.383 4.109 -4.931 93 HG LEU 15 HG LEU 15 -1.869 6.892 -3.979 94 HD11 LEU 15 1HD1 LEU 15 -2.674 6.593 -1.912 95 HD12 LEU 15 2HD1 LEU 15 -2.213 4.892 -1.870 96 HD13 LEU 15 3HD1 LEU 15 -3.710 5.380 -2.663 97 HD21 LEU 15 3HD2 LEU 15 -0.183 4.955 -4.624 98 HD22 LEU 15 1HD2 LEU 15 -0.518 4.447 -2.969 99 HD23 LEU 15 2HD2 LEU 15 0.134 6.056 -3.282 100 H GLU 16 H GLU 16 -2.791 3.289 -6.922 101 HA GLU 16 HA GLU 16 -5.218 3.759 -8.484 102 HB2 GLU 16 1HB GLU 16 -2.768 2.328 -9.526 103 HB3 GLU 16 2HB GLU 16 -4.345 2.283 -10.302 104 HG2 GLU 16 1HG GLU 16 -4.262 4.566 -10.849 105 HG3 GLU 16 2HG GLU 16 -2.911 4.859 -9.755 106 H ASP 17 H ASP 17 -6.588 1.970 -8.653 107 HA ASP 17 HA ASP 17 -6.715 0.254 -6.484 108 HB2 ASP 17 1HB ASP 17 -7.885 -0.194 -9.239 109 HB3 ASP 17 2HB ASP 17 -8.399 -0.999 -7.759 110 H GLN 18 H GLN 18 -6.098 -1.835 -6.081 111 HA GLN 18 HA GLN 18 -4.241 -3.032 -8.030 112 HB2 GLN 18 1HB GLN 18 -4.173 -3.236 -5.015 113 HB3 GLN 18 2HB GLN 18 -3.059 -4.034 -6.117 114 HG2 GLN 18 1HG GLN 18 -3.388 -1.051 -5.909 115 HG3 GLN 18 2HG GLN 18 -2.158 -1.981 -5.055 116 HE21 GLN 18 1HE2 GLN 18 -1.252 -0.046 -6.601 117 HE22 GLN 18 2HE2 GLN 18 -0.562 -0.658 -8.061 118 H TRP 19 H TRP 19 -4.329 -5.245 -8.380 119 HA TRP 19 HA TRP 19 -6.572 -6.675 -7.121 120 HB2 TRP 19 1HB TRP 19 -5.919 -6.395 -10.037 121 HB3 TRP 19 2HB TRP 19 -6.746 -7.835 -9.451 122 HD1 TRP 19 HD TRP 19 -9.231 -7.483 -8.424 123 HE1 TRP 19 1HE TRP 19 -10.987 -5.653 -8.861 124 HE3 TRP 19 3HE TRP 19 -6.209 -3.950 -10.551 125 HZ2 TRP 19 2HZ TRP 19 -11.080 -3.056 -9.963 126 HZ3 TRP 19 3HZ TRP 19 -7.210 -1.821 -11.269 127 HH2 TRP 19 HH TRP 19 -9.595 -1.385 -10.981 128 H VAL 20 H VAL 20 -5.416 -7.990 -5.800 129 HA VAL 20 HA VAL 20 -3.521 -9.828 -7.107 130 HB VAL 20 HB VAL 20 -2.131 -9.872 -5.139 131 HG11 VAL 20 1HG1 VAL 20 -2.374 -6.954 -5.347 132 HG12 VAL 20 2HG1 VAL 20 -0.996 -8.008 -5.674 133 HG13 VAL 20 3HG1 VAL 20 -2.257 -7.800 -6.890 134 HG21 VAL 20 3HG2 VAL 20 -2.567 -8.320 -3.246 135 HG22 VAL 20 1HG2 VAL 20 -4.137 -7.953 -3.962 136 HG23 VAL 20 2HG2 VAL 20 -3.780 -9.590 -3.411 137 H ALA 21 H ALA 21 -3.042 -11.643 -5.252 138 HA ALA 21 HA ALA 21 -5.700 -12.746 -4.647 139 HB1 ALA 21 3HB ALA 21 -4.101 -14.879 -4.383 140 HB2 ALA 21 1HB ALA 21 -4.806 -14.385 -5.923 141 HB3 ALA 21 2HB ALA 21 -3.145 -13.939 -5.529 142 HA PRO 22 HA PRO 22 -5.033 -12.730 -0.310 143 HB2 PRO 22 1HB PRO 22 -6.060 -15.123 0.457 144 HB3 PRO 22 2HB PRO 22 -7.066 -13.775 -0.085 145 HG2 PRO 22 1HG PRO 22 -6.145 -16.183 -1.607 146 HG3 PRO 22 2HG PRO 22 -7.744 -15.417 -1.586 147 HD2 PRO 22 1HD PRO 22 -5.961 -15.014 -3.584 148 HD3 PRO 22 2HD PRO 22 -7.110 -13.765 -3.064 149 H GLY 23 H GLY 23 -2.702 -12.781 -0.402 150 HA2 GLY 23 1HA GLY 23 -1.329 -14.342 1.217 151 HA3 GLY 23 2HA GLY 23 -1.443 -15.412 -0.172 152 H GLU 24 H GLU 24 -1.392 -12.665 -1.721 153 HA GLU 24 HA GLU 24 1.502 -12.725 -2.069 154 HB2 GLU 24 1HB GLU 24 -0.510 -11.146 -3.671 155 HB3 GLU 24 2HB GLU 24 1.140 -11.551 -4.123 156 HG2 GLU 24 1HG GLU 24 0.216 -14.016 -3.836 157 HG3 GLU 24 2HG GLU 24 -1.312 -13.211 -4.190 158 H ASP 25 H ASP 25 2.338 -10.381 -2.769 159 HA ASP 25 HA ASP 25 1.736 -8.640 -0.477 160 HB2 ASP 25 1HB ASP 25 3.981 -7.627 -0.968 161 HB3 ASP 25 2HB ASP 25 4.038 -9.321 -0.488 162 H VAL 26 H VAL 26 1.509 -6.397 -0.772 163 HA VAL 26 HA VAL 26 0.932 -5.573 -3.544 164 HB VAL 26 HB VAL 26 -0.552 -4.812 -1.027 165 HG11 VAL 26 1HG1 VAL 26 -1.052 -2.883 -2.009 166 HG12 VAL 26 2HG1 VAL 26 -0.197 -3.352 -3.479 167 HG13 VAL 26 3HG1 VAL 26 -1.890 -3.797 -3.263 168 HG21 VAL 26 3HG2 VAL 26 -1.159 -6.990 -1.965 169 HG22 VAL 26 1HG2 VAL 26 -2.471 -5.824 -2.143 170 HG23 VAL 26 2HG2 VAL 26 -1.461 -6.233 -3.529 171 H GLU 27 H GLU 27 1.663 -3.602 -4.207 172 HA GLU 27 HA GLU 27 3.083 -1.949 -2.229 173 HB2 GLU 27 1HB GLU 27 4.064 -2.570 -5.021 174 HB3 GLU 27 2HB GLU 27 4.868 -1.543 -3.842 175 HG2 GLU 27 1HG GLU 27 5.414 -3.364 -2.465 176 HG3 GLU 27 2HG GLU 27 4.294 -4.436 -3.304 177 H LEU 28 H LEU 28 2.110 -0.044 -2.133 178 HA LEU 28 HA LEU 28 0.883 1.051 -4.571 179 HB2 LEU 28 1HB LEU 28 0.371 1.757 -1.686 180 HB3 LEU 28 2HB LEU 28 -0.460 2.446 -3.079 181 HG LEU 28 HG LEU 28 -0.572 -0.502 -2.589 182 HD11 LEU 28 1HD1 LEU 28 -2.397 1.516 -1.294 183 HD12 LEU 28 2HD1 LEU 28 -1.147 0.600 -0.453 184 HD13 LEU 28 3HD1 LEU 28 -2.512 -0.241 -1.188 185 HD21 LEU 28 3HD2 LEU 28 -2.970 0.169 -3.492 186 HD22 LEU 28 1HD2 LEU 28 -1.604 -0.089 -4.578 187 HD23 LEU 28 2HD2 LEU 28 -2.073 1.550 -4.124 188 H ARG 29 H ARG 29 2.623 2.079 -5.498 189 HA ARG 29 HA ARG 29 4.239 3.905 -3.928 190 HB2 ARG 29 1HB ARG 29 4.289 3.285 -6.887 191 HB3 ARG 29 2HB ARG 29 5.472 4.264 -6.029 192 HG2 ARG 29 1HG ARG 29 6.057 2.294 -4.660 193 HG3 ARG 29 2HG ARG 29 4.936 1.330 -5.623 194 HD2 ARG 29 1HD ARG 29 6.323 2.275 -7.631 195 HD3 ARG 29 2HD ARG 29 7.552 2.541 -6.395 196 HE ARG 29 HE ARG 29 7.908 0.280 -6.310 197 HH11 ARG 29 2HH1 ARG 29 4.915 0.908 -7.974 198 HH12 ARG 29 1HH1 ARG 29 4.699 -0.735 -8.478 199 HH21 ARG 29 2HH2 ARG 29 7.634 -1.887 -6.967 200 HH22 ARG 29 1HH2 ARG 29 6.246 -2.325 -7.904 201 H CYS 30 H CYS 30 4.610 6.139 -4.724 202 HA CYS 30 HA CYS 30 2.485 7.360 -6.257 203 HB2 CYS 30 1HB CYS 30 1.486 8.629 -4.601 204 HB3 CYS 30 2HB CYS 30 1.800 7.130 -3.735 205 HG CYS 30 HG CYS 30 3.146 10.181 -3.293 206 H GLU 31 H GLU 31 2.833 9.945 -5.907 207 HA GLU 31 HA GLU 31 5.717 10.483 -5.969 208 HB2 GLU 31 1HB GLU 31 4.753 10.140 -8.298 209 HB3 GLU 31 2HB GLU 31 3.827 11.610 -8.030 210 HG2 GLU 31 1HG GLU 31 5.668 12.961 -8.136 211 HG3 GLU 31 2HG GLU 31 6.769 11.687 -7.614 212 H LEU 32 H LEU 32 6.282 12.706 -5.623 213 HA LEU 32 HA LEU 32 4.137 14.419 -4.601 214 HB2 LEU 32 1HB LEU 32 6.697 14.251 -3.080 215 HB3 LEU 32 2HB LEU 32 5.106 14.782 -2.539 216 HG LEU 32 HG LEU 32 5.572 11.905 -3.216 217 HD11 LEU 32 1HD1 LEU 32 6.722 11.429 -1.350 218 HD12 LEU 32 2HD1 LEU 32 5.881 12.649 -0.394 219 HD13 LEU 32 3HD1 LEU 32 7.220 13.118 -1.441 220 HD21 LEU 32 3HD2 LEU 32 3.706 11.516 -1.888 221 HD22 LEU 32 1HD2 LEU 32 3.305 13.026 -2.705 222 HD23 LEU 32 2HD2 LEU 32 3.869 13.051 -1.034 223 H SER 33 H SER 33 4.416 16.565 -4.979 224 HA SER 33 HA SER 33 6.213 17.384 -6.970 225 HB2 SER 33 1HB SER 33 4.171 18.603 -6.691 226 HB3 SER 33 2HB SER 33 4.548 18.969 -5.008 227 HG SER 33 HG SER 33 5.097 20.774 -6.107 228 H ARG 34 H ARG 34 6.604 17.055 -3.586 229 HA ARG 34 HA ARG 34 9.287 18.211 -3.791 230 HB2 ARG 34 1HB ARG 34 8.047 19.990 -2.786 231 HB3 ARG 34 2HB ARG 34 7.234 18.884 -1.686 232 HG2 ARG 34 1HG ARG 34 9.569 18.395 -0.755 233 HG3 ARG 34 2HG ARG 34 10.067 19.851 -1.619 234 HD2 ARG 34 1HD ARG 34 9.530 20.773 0.397 235 HD3 ARG 34 2HD ARG 34 7.958 20.867 -0.395 236 HE ARG 34 HE ARG 34 8.329 18.429 1.060 237 HH11 ARG 34 2HH1 ARG 34 7.427 21.781 1.328 238 HH12 ARG 34 1HH1 ARG 34 6.468 21.544 2.751 239 HH21 ARG 34 2HH2 ARG 34 7.069 18.104 2.934 240 HH22 ARG 34 1HH2 ARG 34 6.266 19.453 3.664 241 H ALA 35 H ALA 35 10.838 17.119 -2.679 242 HA ALA 35 HA ALA 35 10.182 14.500 -1.719 243 HB1 ALA 35 3HB ALA 35 12.873 15.730 -1.323 244 HB2 ALA 35 1HB ALA 35 12.444 14.068 -1.731 245 HB3 ALA 35 2HB ALA 35 12.323 15.336 -2.952 246 H GLY 36 H GLY 36 11.678 13.924 0.390 247 HA2 GLY 36 1HA GLY 36 11.553 13.917 2.689 248 HA3 GLY 36 2HA GLY 36 11.933 15.625 2.525 249 H THR 37 H THR 37 9.001 13.913 1.521 250 HA THR 37 HA THR 37 7.493 15.526 3.475 251 HB THR 37 HB THR 37 6.577 14.751 0.698 252 HG1 THR 37 1HG THR 37 7.593 16.522 0.162 253 HG21 THR 37 3HG2 THR 37 4.516 15.165 1.434 254 HG22 THR 37 1HG2 THR 37 5.007 16.814 1.817 255 HG23 THR 37 2HG2 THR 37 5.136 15.550 3.040 256 HA PRO 38 HA PRO 38 6.208 11.503 4.882 257 HB2 PRO 38 1HB PRO 38 4.513 12.402 6.802 258 HB3 PRO 38 2HB PRO 38 6.270 12.396 6.997 259 HG2 PRO 38 1HG PRO 38 4.455 14.653 6.239 260 HG3 PRO 38 2HG PRO 38 5.829 14.650 7.361 261 HD2 PRO 38 1HD PRO 38 6.016 15.596 4.830 262 HD3 PRO 38 2HD PRO 38 7.378 14.819 5.662 263 H VAL 39 H VAL 39 4.094 10.391 5.264 264 HA VAL 39 HA VAL 39 1.853 11.551 3.777 265 HB VAL 39 HB VAL 39 3.322 10.014 2.311 266 HG11 VAL 39 1HG1 VAL 39 1.807 7.870 3.786 267 HG12 VAL 39 2HG1 VAL 39 3.018 7.666 2.519 268 HG13 VAL 39 3HG1 VAL 39 3.495 8.263 4.109 269 HG21 VAL 39 3HG2 VAL 39 1.207 10.734 1.517 270 HG22 VAL 39 1HG2 VAL 39 1.256 8.986 1.289 271 HG23 VAL 39 2HG2 VAL 39 0.348 9.674 2.635 272 H HIS 40 H HIS 40 -0.185 10.667 4.292 273 HA HIS 40 HA HIS 40 -0.208 9.140 6.809 274 HB2 HIS 40 1HB HIS 40 -1.226 11.576 6.519 275 HB3 HIS 40 2HB HIS 40 -2.602 10.670 5.898 276 HD1 HIS 40 1HD HIS 40 -2.286 12.322 8.691 277 HD2 HIS 40 2HD HIS 40 -2.409 8.205 8.150 278 HE1 HIS 40 1HE HIS 40 -3.047 11.378 10.894 279 HE2 HIS 40 2HE HIS 40 -3.032 8.880 10.569 280 H TRP 41 H TRP 41 -0.535 7.055 6.349 281 HA TRP 41 HA TRP 41 -2.221 6.262 4.127 282 HB2 TRP 41 1HB TRP 41 -0.642 4.647 6.139 283 HB3 TRP 41 2HB TRP 41 -1.567 3.947 4.813 284 HD1 TRP 41 HD TRP 41 1.692 5.741 5.569 285 HE1 TRP 41 1HE TRP 41 3.168 5.728 3.460 286 HE3 TRP 41 3HE TRP 41 -1.715 3.950 2.204 287 HZ2 TRP 41 2HZ TRP 41 2.920 5.048 0.731 288 HZ3 TRP 41 3HZ TRP 41 -1.016 3.648 -0.136 289 HH2 TRP 41 HH TRP 41 1.254 4.187 -0.855 290 H LEU 42 H LEU 42 -4.347 6.495 4.499 291 HA LEU 42 HA LEU 42 -5.431 5.540 7.060 292 HB2 LEU 42 1HB LEU 42 -6.645 7.366 4.992 293 HB3 LEU 42 2HB LEU 42 -7.440 6.845 6.476 294 HG LEU 42 HG LEU 42 -4.830 8.253 6.706 295 HD11 LEU 42 1HD1 LEU 42 -5.808 9.734 5.178 296 HD12 LEU 42 2HD1 LEU 42 -6.178 10.416 6.761 297 HD13 LEU 42 3HD1 LEU 42 -7.416 9.528 5.872 298 HD21 LEU 42 3HD2 LEU 42 -7.320 7.888 8.312 299 HD22 LEU 42 1HD2 LEU 42 -6.278 9.277 8.619 300 HD23 LEU 42 2HD2 LEU 42 -5.635 7.642 8.775 301 H LYS 43 H LYS 43 -6.438 3.652 7.075 302 HA LYS 43 HA LYS 43 -7.427 2.560 4.529 303 HB2 LYS 43 1HB LYS 43 -5.697 1.214 5.627 304 HB3 LYS 43 2HB LYS 43 -6.676 1.131 7.086 305 HG2 LYS 43 1HG LYS 43 -8.452 0.027 5.626 306 HG3 LYS 43 2HG LYS 43 -7.171 -0.163 4.427 307 HD2 LYS 43 1HD LYS 43 -5.886 -1.523 5.890 308 HD3 LYS 43 2HD LYS 43 -6.912 -1.124 7.270 309 HE2 LYS 43 1HE LYS 43 -7.896 -2.588 4.829 310 HE3 LYS 43 2HE LYS 43 -7.284 -3.401 6.269 311 HZ1 LYS 43 3HZ LYS 43 -9.018 -2.092 7.522 312 HZ2 LYS 43 1HZ LYS 43 -9.601 -3.317 6.511 313 HZ3 LYS 43 2HZ LYS 43 -9.694 -1.700 6.022 314 H ASP 44 H ASP 44 -9.539 2.853 4.272 315 HA ASP 44 HA ASP 44 -11.780 2.900 4.659 316 HB2 ASP 44 1HB ASP 44 -11.116 0.556 5.557 317 HB3 ASP 44 2HB ASP 44 -11.356 1.271 7.148 318 H ARG 45 H ARG 45 -10.441 5.108 5.535 319 HA ARG 45 HA ARG 45 -10.755 6.980 6.791 320 HB2 ARG 45 1HB ARG 45 -13.105 5.514 8.001 321 HB3 ARG 45 2HB ARG 45 -12.817 7.249 8.034 322 HG2 ARG 45 1HG ARG 45 -12.991 5.911 5.389 323 HG3 ARG 45 2HG ARG 45 -14.477 6.148 6.311 324 HD2 ARG 45 1HD ARG 45 -12.504 8.319 5.609 325 HD3 ARG 45 2HD ARG 45 -14.007 8.000 4.744 326 HE ARG 45 HE ARG 45 -14.384 8.447 7.553 327 HH11 ARG 45 2HH1 ARG 45 -14.032 9.975 4.445 328 HH12 ARG 45 1HH1 ARG 45 -14.871 11.417 4.913 329 HH21 ARG 45 2HH2 ARG 45 -15.491 10.340 8.181 330 HH22 ARG 45 1HH2 ARG 45 -15.699 11.624 7.038 331 H LYS 46 H LYS 46 -9.192 4.628 7.726 332 HA LYS 46 HA LYS 46 -9.230 5.196 10.618 333 HB2 LYS 46 1HB LYS 46 -8.076 2.727 9.324 334 HB3 LYS 46 2HB LYS 46 -8.390 3.000 11.033 335 HG2 LYS 46 1HG LYS 46 -10.687 3.128 9.159 336 HG3 LYS 46 2HG LYS 46 -9.999 1.546 9.532 337 HD2 LYS 46 1HD LYS 46 -11.534 1.694 11.216 338 HD3 LYS 46 2HD LYS 46 -10.161 2.470 12.010 339 HE2 LYS 46 1HE LYS 46 -11.183 4.634 10.909 340 HE3 LYS 46 2HE LYS 46 -12.659 3.670 10.915 341 HZ1 LYS 46 3HZ LYS 46 -12.631 4.869 12.924 342 HZ2 LYS 46 1HZ LYS 46 -11.015 4.482 13.241 343 HZ3 LYS 46 2HZ LYS 46 -12.206 3.286 13.340 344 H ALA 47 H ALA 47 -6.931 4.564 11.562 345 HA ALA 47 HA ALA 47 -4.962 6.051 9.953 346 HB1 ALA 47 3HB ALA 47 -3.872 6.612 12.082 347 HB2 ALA 47 1HB ALA 47 -5.543 7.174 12.024 348 HB3 ALA 47 2HB ALA 47 -5.129 5.729 12.947 349 H ILE 48 H ILE 48 -3.470 4.813 9.043 350 HA ILE 48 HA ILE 48 -2.884 2.176 10.111 351 HB ILE 48 HB ILE 48 -1.745 3.533 7.665 352 HG12 ILE 48 1HG1 ILE 48 -4.040 1.581 7.942 353 HG13 ILE 48 2HG1 ILE 48 -4.168 3.274 7.478 354 HG21 ILE 48 1HG2 ILE 48 -0.929 1.405 7.013 355 HG22 ILE 48 2HG2 ILE 48 -0.433 1.643 8.688 356 HG23 ILE 48 3HG2 ILE 48 -1.802 0.596 8.314 357 HD11 ILE 48 3HD1 ILE 48 -4.158 2.477 5.397 358 HD12 ILE 48 1HD1 ILE 48 -2.416 2.332 5.628 359 HD13 ILE 48 2HD1 ILE 48 -3.459 0.933 5.885 360 H ARG 49 H ARG 49 -1.024 1.556 11.079 361 HA ARG 49 HA ARG 49 1.010 3.643 11.518 362 HB2 ARG 49 1HB ARG 49 1.528 2.304 13.629 363 HB3 ARG 49 2HB ARG 49 0.029 3.224 13.617 364 HG2 ARG 49 1HG ARG 49 -0.059 0.385 12.749 365 HG3 ARG 49 2HG ARG 49 0.118 0.737 14.469 366 HD2 ARG 49 1HD ARG 49 -1.870 2.357 14.081 367 HD3 ARG 49 2HD ARG 49 -2.137 1.408 12.620 368 HE ARG 49 HE ARG 49 -2.734 0.632 15.295 369 HH11 ARG 49 2HH1 ARG 49 -1.736 -0.582 12.189 370 HH12 ARG 49 1HH1 ARG 49 -2.383 -2.167 12.454 371 HH21 ARG 49 2HH2 ARG 49 -3.591 -1.451 15.657 372 HH22 ARG 49 1HH2 ARG 49 -3.439 -2.660 14.427 373 H LYS 50 H LYS 50 3.018 3.233 10.855 374 HA LYS 50 HA LYS 50 3.743 1.188 9.195 375 HB2 LYS 50 1HB LYS 50 5.101 3.192 9.492 376 HB3 LYS 50 2HB LYS 50 5.522 2.691 11.125 377 HG2 LYS 50 1HG LYS 50 6.822 0.876 10.326 378 HG3 LYS 50 2HG LYS 50 6.210 1.078 8.683 379 HD2 LYS 50 1HD LYS 50 8.286 2.083 8.544 380 HD3 LYS 50 2HD LYS 50 7.240 3.463 8.885 381 HE2 LYS 50 1HE LYS 50 9.111 3.684 10.313 382 HE3 LYS 50 2HE LYS 50 7.786 3.113 11.326 383 HZ1 LYS 50 3HZ LYS 50 9.667 1.846 11.903 384 HZ2 LYS 50 1HZ LYS 50 10.078 1.550 10.288 385 HZ3 LYS 50 2HZ LYS 50 8.707 0.821 10.959 386 H SER 51 H SER 51 4.466 -0.867 9.373 387 HA SER 51 HA SER 51 5.576 -2.006 11.703 388 HB2 SER 51 1HB SER 51 3.075 -1.704 12.305 389 HB3 SER 51 2HB SER 51 2.797 -3.043 11.191 390 HG SER 51 HG SER 51 4.784 -3.342 13.130 391 H GLN 52 H GLN 52 5.926 -4.345 11.481 392 HA GLN 52 HA GLN 52 7.072 -5.167 9.213 393 HB2 GLN 52 1HB GLN 52 6.668 -7.482 9.863 394 HB3 GLN 52 2HB GLN 52 7.040 -6.501 11.275 395 HG2 GLN 52 1HG GLN 52 4.479 -6.305 11.525 396 HG3 GLN 52 2HG GLN 52 4.431 -7.696 10.444 397 HE21 GLN 52 1HE2 GLN 52 4.477 -6.767 13.594 398 HE22 GLN 52 2HE2 GLN 52 5.060 -8.223 14.318 399 H LYS 53 H LYS 53 3.604 -5.397 9.871 400 HA LYS 53 HA LYS 53 2.948 -6.715 7.441 401 HB2 LYS 53 1HB LYS 53 1.381 -6.915 9.200 402 HB3 LYS 53 2HB LYS 53 1.337 -5.178 9.468 403 HG2 LYS 53 1HG LYS 53 -0.700 -5.878 8.406 404 HG3 LYS 53 2HG LYS 53 0.239 -4.898 7.277 405 HD2 LYS 53 1HD LYS 53 -0.334 -6.623 5.894 406 HD3 LYS 53 2HD LYS 53 1.169 -7.270 6.558 407 HE2 LYS 53 1HE LYS 53 -0.565 -8.965 6.595 408 HE3 LYS 53 2HE LYS 53 -0.126 -8.507 8.240 409 HZ1 LYS 53 3HZ LYS 53 -2.260 -6.906 7.247 410 HZ2 LYS 53 1HZ LYS 53 -2.194 -7.858 8.644 411 HZ3 LYS 53 2HZ LYS 53 -2.651 -8.550 7.171 412 H TYR 54 H TYR 54 2.614 -3.323 8.482 413 HA TYR 54 HA TYR 54 2.307 -2.563 5.658 414 HB2 TYR 54 1HB TYR 54 1.602 -1.023 8.165 415 HB3 TYR 54 2HB TYR 54 1.369 -0.445 6.519 416 HD1 TYR 54 2HD TYR 54 0.075 -2.356 5.017 417 HD2 TYR 54 1HD TYR 54 -0.318 -1.732 9.208 418 HE1 TYR 54 2HE TYR 54 -2.148 -3.407 4.960 419 HE2 TYR 54 1HE TYR 54 -2.541 -2.783 9.162 420 HH TYR 54 HH TYR 54 -3.800 -4.367 7.758 421 H ASP 55 H ASP 55 4.525 -2.616 5.160 422 HA ASP 55 HA ASP 55 6.429 -1.081 6.658 423 HB2 ASP 55 1HB ASP 55 6.717 -2.198 3.862 424 HB3 ASP 55 2HB ASP 55 8.017 -1.712 4.947 425 H VAL 56 H VAL 56 6.210 1.068 6.696 426 HA VAL 56 HA VAL 56 5.294 2.513 4.348 427 HB VAL 56 HB VAL 56 6.081 3.552 7.074 428 HG11 VAL 56 1HG1 VAL 56 4.333 5.083 5.233 429 HG12 VAL 56 2HG1 VAL 56 5.507 5.653 6.421 430 HG13 VAL 56 3HG1 VAL 56 6.056 5.035 4.863 431 HG21 VAL 56 3HG2 VAL 56 4.170 2.456 7.612 432 HG22 VAL 56 1HG2 VAL 56 3.434 3.920 6.958 433 HG23 VAL 56 2HG2 VAL 56 3.563 2.473 5.957 434 H VAL 57 H VAL 57 6.774 2.844 2.811 435 HA VAL 57 HA VAL 57 9.431 3.821 3.637 436 HB VAL 57 HB VAL 57 10.064 1.873 2.633 437 HG11 VAL 57 1HG1 VAL 57 8.064 0.821 2.130 438 HG12 VAL 57 2HG1 VAL 57 7.530 2.121 1.063 439 HG13 VAL 57 3HG1 VAL 57 8.800 1.015 0.539 440 HG21 VAL 57 3HG2 VAL 57 10.771 2.286 0.327 441 HG22 VAL 57 1HG2 VAL 57 9.682 3.670 0.240 442 HG23 VAL 57 2HG2 VAL 57 11.056 3.696 1.346 443 H CYS 58 H CYS 58 10.472 5.307 2.153 444 HA CYS 58 HA CYS 58 9.099 6.499 -0.016 445 HB2 CYS 58 1HB CYS 58 7.693 7.399 1.798 446 HB3 CYS 58 2HB CYS 58 9.122 8.093 2.555 447 HG CYS 58 HG CYS 58 7.733 10.177 1.375 448 H GLU 59 H GLU 59 10.812 6.848 -1.262 449 HA GLU 59 HA GLU 59 13.220 8.029 -0.046 450 HB2 GLU 59 1HB GLU 59 12.965 6.387 -2.572 451 HB3 GLU 59 2HB GLU 59 14.460 7.072 -1.951 452 HG2 GLU 59 1HG GLU 59 14.635 4.945 -1.166 453 HG3 GLU 59 2HG GLU 59 13.821 5.710 0.197 454 H GLY 60 H GLY 60 13.181 10.170 -0.339 455 HA2 GLY 60 1HA GLY 60 13.310 12.170 -1.475 456 HA3 GLY 60 2HA GLY 60 13.314 11.255 -2.975 457 H THR 61 H THR 61 11.518 11.223 -4.198 458 HA THR 61 HA THR 61 9.082 12.418 -3.043 459 HB THR 61 HB THR 61 8.542 13.266 -5.298 460 HG1 THR 61 1HG THR 61 10.897 11.885 -5.907 461 HG21 THR 61 3HG2 THR 61 11.107 14.094 -3.981 462 HG22 THR 61 1HG2 THR 61 9.539 14.899 -3.960 463 HG23 THR 61 2HG2 THR 61 10.522 14.920 -5.424 464 H MET 62 H MET 62 9.511 9.685 -2.864 465 HA MET 62 HA MET 62 7.293 8.709 -4.475 466 HB2 MET 62 1HB MET 62 9.183 8.121 -5.859 467 HB3 MET 62 2HB MET 62 10.027 7.423 -4.483 468 HG2 MET 62 1HG MET 62 7.874 5.903 -4.380 469 HG3 MET 62 2HG MET 62 7.779 6.337 -6.085 470 HE1 MET 62 3HE MET 62 11.174 4.398 -3.867 471 HE2 MET 62 1HE MET 62 9.659 5.056 -3.247 472 HE3 MET 62 2HE MET 62 9.720 3.398 -3.846 473 H ALA 63 H ALA 63 5.962 8.189 -2.846 474 HA ALA 63 HA ALA 63 7.028 6.764 -0.520 475 HB1 ALA 63 3HB ALA 63 4.223 7.795 -0.835 476 HB2 ALA 63 1HB ALA 63 5.087 7.397 0.651 477 HB3 ALA 63 2HB ALA 63 5.553 8.816 -0.288 478 H MET 64 H MET 64 6.481 4.703 -0.017 479 HA MET 64 HA MET 64 4.458 3.357 -1.663 480 HB2 MET 64 1HB MET 64 6.819 2.949 -2.509 481 HB3 MET 64 2HB MET 64 7.115 2.089 -1.004 482 HG2 MET 64 1HG MET 64 5.367 0.498 -1.537 483 HG3 MET 64 2HG MET 64 4.991 1.382 -3.015 484 HE1 MET 64 3HE MET 64 9.030 0.818 -2.159 485 HE2 MET 64 1HE MET 64 7.883 0.137 -1.005 486 HE3 MET 64 2HE MET 64 8.800 -0.929 -2.070 487 H LEU 65 H LEU 65 3.406 1.617 -0.674 488 HA LEU 65 HA LEU 65 4.031 1.166 2.163 489 HB2 LEU 65 1HB LEU 65 2.189 2.694 2.139 490 HB3 LEU 65 2HB LEU 65 1.333 1.719 0.946 491 HG LEU 65 HG LEU 65 1.326 -0.103 2.781 492 HD11 LEU 65 1HD1 LEU 65 2.048 2.357 4.341 493 HD12 LEU 65 2HD1 LEU 65 2.799 0.763 4.386 494 HD13 LEU 65 3HD1 LEU 65 1.191 0.999 5.070 495 HD21 LEU 65 3HD2 LEU 65 -0.358 2.334 3.300 496 HD22 LEU 65 1HD2 LEU 65 -0.781 0.639 3.542 497 HD23 LEU 65 2HD2 LEU 65 -0.608 1.280 1.907 498 H VAL 66 H VAL 66 4.692 -0.888 2.206 499 HA VAL 66 HA VAL 66 3.607 -2.875 0.417 500 HB VAL 66 HB VAL 66 5.449 -3.391 2.745 501 HG11 VAL 66 1HG1 VAL 66 6.247 -5.202 1.177 502 HG12 VAL 66 2HG1 VAL 66 4.616 -5.407 1.820 503 HG13 VAL 66 3HG1 VAL 66 4.849 -4.828 0.170 504 HG21 VAL 66 3HG2 VAL 66 7.198 -3.238 0.782 505 HG22 VAL 66 1HG2 VAL 66 6.003 -2.131 0.105 506 HG23 VAL 66 2HG2 VAL 66 6.715 -1.802 1.685 507 H ILE 67 H ILE 67 2.381 -4.667 0.972 508 HA ILE 67 HA ILE 67 1.223 -4.668 3.679 509 HB ILE 67 HB ILE 67 -0.285 -5.138 1.104 510 HG12 ILE 67 1HG1 ILE 67 -0.971 -3.000 3.074 511 HG13 ILE 67 2HG1 ILE 67 0.391 -2.731 1.992 512 HG21 ILE 67 1HG2 ILE 67 -1.950 -6.050 2.274 513 HG22 ILE 67 2HG2 ILE 67 -0.783 -6.235 3.583 514 HG23 ILE 67 3HG2 ILE 67 -1.841 -4.825 3.538 515 HD11 ILE 67 3HD1 ILE 67 -0.992 -2.900 0.077 516 HD12 ILE 67 1HD1 ILE 67 -2.353 -3.487 1.033 517 HD13 ILE 67 2HD1 ILE 67 -1.802 -1.821 1.213 518 H ARG 68 H ARG 68 2.906 -6.318 4.004 519 HA ARG 68 HA ARG 68 3.233 -8.682 2.682 520 HB2 ARG 68 1HB ARG 68 3.458 -7.887 5.541 521 HB3 ARG 68 2HB ARG 68 3.497 -9.606 5.173 522 HG2 ARG 68 1HG ARG 68 5.740 -8.718 5.290 523 HG3 ARG 68 2HG ARG 68 5.372 -9.227 3.641 524 HD2 ARG 68 1HD ARG 68 5.132 -7.013 2.897 525 HD3 ARG 68 2HD ARG 68 5.002 -6.387 4.540 526 HE ARG 68 HE ARG 68 7.297 -6.376 4.693 527 HH11 ARG 68 2HH1 ARG 68 6.314 -8.137 1.855 528 HH12 ARG 68 1HH1 ARG 68 7.916 -8.241 1.205 529 HH21 ARG 68 2HH2 ARG 68 9.411 -6.506 3.847 530 HH22 ARG 68 1HH2 ARG 68 9.678 -7.313 2.339 531 H GLY 69 H GLY 69 2.143 -10.553 2.410 532 HA2 GLY 69 1HA GLY 69 0.271 -11.891 2.256 533 HA3 GLY 69 2HA GLY 69 0.307 -11.781 4.009 534 H ALA 70 H ALA 70 -0.992 -10.311 1.081 535 HA ALA 70 HA ALA 70 -2.922 -8.774 2.633 536 HB1 ALA 70 3HB ALA 70 -2.563 -8.909 -0.358 537 HB2 ALA 70 1HB ALA 70 -3.542 -7.747 0.537 538 HB3 ALA 70 2HB ALA 70 -1.786 -7.735 0.704 539 H SER 71 H SER 71 -4.469 -10.097 3.436 540 HA SER 71 HA SER 71 -5.635 -12.179 1.779 541 HB2 SER 71 1HB SER 71 -6.015 -11.352 4.655 542 HB3 SER 71 2HB SER 71 -7.052 -12.551 3.883 543 HG SER 71 HG SER 71 -4.222 -12.711 4.036 544 H LEU 72 H LEU 72 -8.137 -12.362 2.000 545 HA LEU 72 HA LEU 72 -9.328 -10.411 0.472 546 HB2 LEU 72 1HB LEU 72 -10.774 -12.078 2.520 547 HB3 LEU 72 2HB LEU 72 -11.441 -11.383 1.044 548 HG LEU 72 HG LEU 72 -9.326 -13.532 1.088 549 HD11 LEU 72 1HD1 LEU 72 -11.314 -14.438 2.084 550 HD12 LEU 72 2HD1 LEU 72 -11.176 -15.047 0.435 551 HD13 LEU 72 3HD1 LEU 72 -12.318 -13.755 0.804 552 HD21 LEU 72 3HD2 LEU 72 -11.117 -12.536 -1.126 553 HD22 LEU 72 1HD2 LEU 72 -9.892 -13.798 -1.251 554 HD23 LEU 72 2HD2 LEU 72 -9.410 -12.131 -0.935 555 H LYS 73 H LYS 73 -9.040 -10.582 3.968 556 HA LYS 73 HA LYS 73 -10.811 -8.429 4.534 557 HB2 LYS 73 1HB LYS 73 -9.966 -10.264 6.124 558 HB3 LYS 73 2HB LYS 73 -8.518 -9.280 6.290 559 HG2 LYS 73 1HG LYS 73 -10.059 -7.382 6.961 560 HG3 LYS 73 2HG LYS 73 -11.329 -8.601 7.093 561 HD2 LYS 73 1HD LYS 73 -10.378 -9.589 8.926 562 HD3 LYS 73 2HD LYS 73 -8.741 -9.113 8.468 563 HE2 LYS 73 1HE LYS 73 -9.161 -6.841 9.147 564 HE3 LYS 73 2HE LYS 73 -10.858 -7.206 9.456 565 HZ1 LYS 73 3HZ LYS 73 -10.301 -8.515 11.304 566 HZ2 LYS 73 1HZ LYS 73 -9.341 -7.130 11.451 567 HZ3 LYS 73 2HZ LYS 73 -8.661 -8.574 10.893 568 H ASP 74 H ASP 74 -7.306 -8.672 4.109 569 HA ASP 74 HA ASP 74 -6.472 -6.178 4.863 570 HB2 ASP 74 1HB ASP 74 -5.572 -7.942 2.594 571 HB3 ASP 74 2HB ASP 74 -4.773 -6.413 2.947 572 H ALA 75 H ALA 75 -8.044 -7.090 1.837 573 HA ALA 75 HA ALA 75 -7.747 -4.858 0.300 574 HB1 ALA 75 3HB ALA 75 -9.151 -6.005 -0.976 575 HB2 ALA 75 1HB ALA 75 -9.543 -7.054 0.387 576 HB3 ALA 75 2HB ALA 75 -10.482 -5.588 0.103 577 H GLY 76 H GLY 76 -8.390 -2.783 0.330 578 HA2 GLY 76 1HA GLY 76 -10.715 -1.820 1.611 579 HA3 GLY 76 2HA GLY 76 -9.332 -1.576 2.668 580 H GLU 77 H GLU 77 -10.269 0.698 2.209 581 HA GLU 77 HA GLU 77 -9.200 1.804 -0.283 582 HB2 GLU 77 1HB GLU 77 -11.581 2.265 0.792 583 HB3 GLU 77 2HB GLU 77 -10.679 3.475 1.695 584 HG2 GLU 77 1HG GLU 77 -9.856 4.357 -0.505 585 HG3 GLU 77 2HG GLU 77 -11.010 3.276 -1.284 586 H TYR 78 H TYR 78 -7.214 2.598 -0.257 587 HA TYR 78 HA TYR 78 -6.077 3.529 2.281 588 HB2 TYR 78 1HB TYR 78 -4.736 2.810 -0.333 589 HB3 TYR 78 2HB TYR 78 -3.893 3.361 1.111 590 HD1 TYR 78 1HD TYR 78 -3.699 1.911 3.068 591 HD2 TYR 78 2HD TYR 78 -5.632 0.569 -0.477 592 HE1 TYR 78 1HE TYR 78 -3.558 -0.408 3.876 593 HE2 TYR 78 2HE TYR 78 -5.498 -1.753 0.321 594 HH TYR 78 HH TYR 78 -4.294 -2.522 3.544 595 H THR 79 H THR 79 -6.192 5.633 2.649 596 HA THR 79 HA THR 79 -6.120 7.485 0.362 597 HB THR 79 HB THR 79 -7.231 7.863 3.147 598 HG1 THR 79 1HG THR 79 -8.686 6.794 1.851 599 HG21 THR 79 3HG2 THR 79 -6.168 9.821 1.398 600 HG22 THR 79 1HG2 THR 79 -7.055 10.070 2.901 601 HG23 THR 79 2HG2 THR 79 -7.923 9.984 1.368 602 H CYS 80 H CYS 80 -4.090 8.148 0.028 603 HA CYS 80 HA CYS 80 -2.221 8.466 2.205 604 HB2 CYS 80 1HB CYS 80 -2.099 8.545 -0.759 605 HB3 CYS 80 2HB CYS 80 -0.898 9.500 0.102 606 HG CYS 80 HG CYS 80 -0.178 7.145 1.685 607 H GLU 81 H GLU 81 -3.440 10.106 3.361 608 HA GLU 81 HA GLU 81 -3.888 12.677 2.206 609 HB2 GLU 81 1HB GLU 81 -5.049 11.566 4.245 610 HB3 GLU 81 2HB GLU 81 -3.679 12.180 5.160 611 HG2 GLU 81 1HG GLU 81 -4.264 14.453 4.126 612 HG3 GLU 81 2HG GLU 81 -5.808 13.708 3.719 613 H VAL 82 H VAL 82 -2.257 13.938 1.597 614 HA VAL 82 HA VAL 82 0.291 13.857 2.988 615 HB VAL 82 HB VAL 82 -0.128 14.077 0.405 616 HG11 VAL 82 1HG1 VAL 82 -0.536 16.135 -0.471 617 HG12 VAL 82 2HG1 VAL 82 -1.410 16.319 1.051 618 HG13 VAL 82 3HG1 VAL 82 0.216 16.983 0.880 619 HG21 VAL 82 3HG2 VAL 82 1.990 15.931 0.908 620 HG22 VAL 82 1HG2 VAL 82 2.008 14.673 2.144 621 HG23 VAL 82 2HG2 VAL 82 2.088 14.234 0.438 622 H GLU 83 H GLU 83 1.316 16.273 2.983 623 HA GLU 83 HA GLU 83 0.666 17.571 5.195 624 HB2 GLU 83 1HB GLU 83 1.016 19.476 2.968 625 HB3 GLU 83 2HB GLU 83 1.927 19.308 4.462 626 HG2 GLU 83 1HG GLU 83 2.207 17.600 2.000 627 HG3 GLU 83 2HG GLU 83 3.330 18.843 2.550 628 H ALA 84 H ALA 84 -0.811 18.551 2.097 629 HA ALA 84 HA ALA 84 -3.176 19.431 3.622 630 HB1 ALA 84 3HB ALA 84 -3.400 21.348 2.341 631 HB2 ALA 84 1HB ALA 84 -1.653 21.229 2.550 632 HB3 ALA 84 2HB ALA 84 -2.397 20.716 1.035 633 H SER 85 H SER 85 -1.952 18.086 0.599 634 HA SER 85 HA SER 85 -4.594 17.562 -0.433 635 HB2 SER 85 1HB SER 85 -2.293 17.980 -1.703 636 HB3 SER 85 2HB SER 85 -2.182 16.225 -1.574 637 HG SER 85 HG SER 85 -4.605 17.279 -2.444 638 H LYS 86 H LYS 86 -4.858 15.196 -1.359 639 HA LYS 86 HA LYS 86 -3.849 13.071 0.255 640 HB2 LYS 86 1HB LYS 86 -5.803 12.466 1.464 641 HB3 LYS 86 2HB LYS 86 -5.543 14.178 1.770 642 HG2 LYS 86 1HG LYS 86 -7.402 14.812 0.618 643 HG3 LYS 86 2HG LYS 86 -7.333 13.427 -0.475 644 HD2 LYS 86 1HD LYS 86 -7.863 12.067 1.698 645 HD3 LYS 86 2HD LYS 86 -8.464 13.620 2.284 646 HE2 LYS 86 1HE LYS 86 -9.692 13.624 -0.055 647 HE3 LYS 86 2HE LYS 86 -9.487 11.879 0.097 648 HZ1 LYS 86 3HZ LYS 86 -11.570 13.150 1.082 649 HZ2 LYS 86 1HZ LYS 86 -10.542 13.297 2.417 650 HZ3 LYS 86 2HZ LYS 86 -10.932 11.765 1.816 651 H SER 87 H SER 87 -4.329 11.047 -0.589 652 HA SER 87 HA SER 87 -5.772 11.096 -3.157 653 HB2 SER 87 1HB SER 87 -3.403 10.580 -3.425 654 HB3 SER 87 2HB SER 87 -3.528 9.281 -2.239 655 HG SER 87 HG SER 87 -4.282 8.023 -3.739 656 H THR 88 H THR 88 -6.315 8.597 -3.709 657 HA THR 88 HA THR 88 -7.329 7.111 -1.464 658 HB THR 88 HB THR 88 -9.357 8.248 -3.395 659 HG1 THR 88 1HG THR 88 -10.000 9.270 -1.224 660 HG21 THR 88 3HG2 THR 88 -9.458 5.992 -1.783 661 HG22 THR 88 1HG2 THR 88 -10.836 6.838 -2.485 662 HG23 THR 88 2HG2 THR 88 -10.305 7.225 -0.848 663 H ALA 89 H ALA 89 -7.296 5.012 -1.956 664 HA ALA 89 HA ALA 89 -7.594 4.208 -4.768 665 HB1 ALA 89 3HB ALA 89 -5.669 2.654 -3.157 666 HB2 ALA 89 1HB ALA 89 -5.631 3.092 -4.865 667 HB3 ALA 89 2HB ALA 89 -5.161 4.272 -3.641 668 H SER 90 H SER 90 -7.864 1.752 -4.918 669 HA SER 90 HA SER 90 -9.339 0.696 -2.609 670 HB2 SER 90 1HB SER 90 -10.326 0.636 -5.471 671 HB3 SER 90 2HB SER 90 -11.115 -0.139 -4.098 672 HG SER 90 HG SER 90 -10.965 2.559 -4.784 673 H LEU 91 H LEU 91 -8.144 -1.001 -2.026 674 HA LEU 91 HA LEU 91 -6.688 -2.576 -3.949 675 HB2 LEU 91 1HB LEU 91 -5.548 -2.347 -1.945 676 HB3 LEU 91 2HB LEU 91 -6.999 -2.598 -0.977 677 HG LEU 91 HG LEU 91 -6.938 -5.006 -1.683 678 HD11 LEU 91 1HD1 LEU 91 -5.334 -4.340 -3.647 679 HD12 LEU 91 2HD1 LEU 91 -5.195 -5.912 -2.861 680 HD13 LEU 91 3HD1 LEU 91 -4.083 -4.612 -2.434 681 HD21 LEU 91 3HD2 LEU 91 -5.834 -3.837 0.423 682 HD22 LEU 91 1HD2 LEU 91 -4.357 -4.437 -0.332 683 HD23 LEU 91 2HD2 LEU 91 -5.643 -5.563 0.106 684 H HIS 92 H HIS 92 -7.024 -4.748 -4.455 685 HA HIS 92 HA HIS 92 -9.617 -5.881 -3.654 686 HB2 HIS 92 1HB HIS 92 -8.448 -5.862 -6.444 687 HB3 HIS 92 2HB HIS 92 -9.886 -6.758 -5.962 688 HD1 HIS 92 1HD HIS 92 -11.998 -5.304 -5.302 689 HD2 HIS 92 2HD HIS 92 -8.854 -3.204 -7.025 690 HE1 HIS 92 1HE HIS 92 -12.968 -3.089 -5.994 691 HE2 HIS 92 2HE HIS 92 -11.068 -1.869 -7.111 692 H VAL 93 H VAL 93 -9.616 -8.011 -3.157 693 HA VAL 93 HA VAL 93 -7.250 -9.614 -3.815 694 HB VAL 93 HB VAL 93 -8.422 -9.398 -1.039 695 HG11 VAL 93 1HG1 VAL 93 -7.043 -11.532 -2.295 696 HG12 VAL 93 2HG1 VAL 93 -5.955 -10.806 -1.112 697 HG13 VAL 93 3HG1 VAL 93 -7.542 -11.389 -0.610 698 HG21 VAL 93 3HG2 VAL 93 -5.678 -8.634 -2.030 699 HG22 VAL 93 1HG2 VAL 93 -6.989 -7.495 -1.719 700 HG23 VAL 93 2HG2 VAL 93 -6.305 -8.437 -0.394 701 H GLU 94 H GLU 94 -7.851 -11.471 -4.702 702 HA GLU 94 HA GLU 94 -10.248 -12.831 -3.732 703 HB2 GLU 94 1HB GLU 94 -9.742 -12.294 -6.664 704 HB3 GLU 94 2HB GLU 94 -11.074 -13.229 -5.997 705 HG2 GLU 94 1HG GLU 94 -11.796 -11.152 -4.791 706 HG3 GLU 94 2HG GLU 94 -10.588 -10.276 -5.728 707 H GLU 95 H GLU 95 -10.257 -15.073 -4.068 708 HA GLU 95 HA GLU 95 -7.602 -16.185 -4.600 709 HB2 GLU 95 1HB GLU 95 -9.143 -16.655 -2.502 710 HB3 GLU 95 2HB GLU 95 -9.867 -17.841 -3.579 711 HG2 GLU 95 1HG GLU 95 -7.588 -18.789 -3.942 712 HG3 GLU 95 2HG GLU 95 -7.000 -17.700 -2.687 713 H LYS 96 H LYS 96 -7.218 -17.749 -6.126 714 HA LYS 96 HA LYS 96 -8.310 -17.734 -8.556 715 HB2 LYS 96 1HB LYS 96 -7.206 -20.072 -7.020 716 HB3 LYS 96 2HB LYS 96 -7.734 -20.251 -8.688 717 HG2 LYS 96 1HG LYS 96 -6.165 -18.290 -9.193 718 HG3 LYS 96 2HG LYS 96 -5.474 -18.614 -7.602 719 HD2 LYS 96 1HD LYS 96 -4.717 -20.730 -8.230 720 HD3 LYS 96 2HD LYS 96 -5.808 -20.811 -9.615 721 HE2 LYS 96 1HE LYS 96 -3.590 -20.447 -10.433 722 HE3 LYS 96 2HE LYS 96 -4.508 -18.959 -10.659 723 HZ1 LYS 96 3HZ LYS 96 -2.398 -19.533 -8.674 724 HZ2 LYS 96 1HZ LYS 96 -3.500 -18.271 -8.438 725 HZ3 LYS 96 2HZ LYS 96 -2.484 -18.264 -9.789 726 H ALA 97 H ALA 97 -10.221 -18.102 -9.462 727 HA ALA 97 HA ALA 97 -12.184 -19.716 -7.972 728 HB1 ALA 97 3HB ALA 97 -12.548 -17.188 -8.531 729 HB2 ALA 97 1HB ALA 97 -12.993 -17.811 -10.120 730 HB3 ALA 97 2HB ALA 97 -13.878 -18.335 -8.686 731 H SER 98 H SER 98 -12.019 -21.734 -8.784 732 HA SER 98 HA SER 98 -12.313 -22.034 -11.701 733 HB2 SER 98 1HB SER 98 -11.015 -24.133 -11.526 734 HB3 SER 98 2HB SER 98 -10.072 -22.733 -11.017 735 HG SER 98 HG SER 98 -9.805 -23.741 -9.206 736 H GLY 99 H GLY 99 -13.740 -23.578 -12.446 737 HA2 GLY 99 1HA GLY 99 -15.028 -25.628 -11.929 738 HA3 GLY 99 2HA GLY 99 -15.385 -24.894 -10.372 739 HA PRO 100 HA PRO 100 -18.590 -23.850 -13.757 740 HB2 PRO 100 1HB PRO 100 -20.526 -25.627 -13.074 741 HB3 PRO 100 2HB PRO 100 -19.270 -25.985 -14.266 742 HG2 PRO 100 1HG PRO 100 -19.420 -26.765 -11.380 743 HG3 PRO 100 2HG PRO 100 -18.929 -27.739 -12.778 744 HD2 PRO 100 1HD PRO 100 -17.139 -26.604 -11.092 745 HD3 PRO 100 2HD PRO 100 -16.808 -26.836 -12.820 746 H SER 101 H SER 101 -20.324 -22.517 -13.341 747 HA SER 101 HA SER 101 -20.514 -21.270 -10.868 748 HB2 SER 101 1HB SER 101 -22.386 -21.376 -13.226 749 HB3 SER 101 2HB SER 101 -22.780 -20.443 -11.782 750 HG SER 101 HG SER 101 -20.432 -19.654 -12.236 751 H SER 102 H SER 102 -22.644 -23.740 -12.279 752 HA SER 102 HA SER 102 -23.873 -24.105 -9.631 753 HB2 SER 102 1HB SER 102 -24.864 -24.517 -12.426 754 HB3 SER 102 2HB SER 102 -25.552 -25.485 -11.122 755 HG SER 102 HG SER 102 -25.334 -22.748 -10.681 756 H GLY 103 H GLY 103 -24.724 -26.500 -9.419 757 HA2 GLY 103 1HA GLY 103 -24.276 -28.795 -9.504 758 HA3 GLY 103 2HA GLY 103 -22.857 -28.459 -10.484 Start of MODEL 12 1 H1 GLY 1 H GLY 1 16.591 24.278 4.713 2 HA2 GLY 1 1HA GLY 1 15.643 22.733 2.382 3 HA3 GLY 1 2HA GLY 1 14.685 23.942 3.224 4 H SER 2 H SER 2 17.837 23.695 1.573 5 HA SER 2 HA SER 2 17.497 26.435 0.609 6 HB2 SER 2 1HB SER 2 19.660 25.650 1.681 7 HB3 SER 2 2HB SER 2 19.915 24.659 0.246 8 HG SER 2 HG SER 2 19.374 27.410 -0.002 9 H SER 3 H SER 3 16.231 26.483 -1.153 10 HA SER 3 HA SER 3 17.182 25.187 -3.555 11 HB2 SER 3 1HB SER 3 15.630 23.530 -2.393 12 HB3 SER 3 2HB SER 3 14.326 24.671 -2.724 13 HG SER 3 HG SER 3 15.399 24.472 -5.001 14 H GLY 4 H GLY 4 16.864 26.461 -5.277 15 HA2 GLY 4 1HA GLY 4 15.971 29.070 -5.082 16 HA3 GLY 4 2HA GLY 4 16.083 28.176 -6.591 17 H SER 5 H SER 5 14.236 27.005 -7.332 18 HA SER 5 HA SER 5 11.733 28.215 -6.399 19 HB2 SER 5 1HB SER 5 12.310 26.721 -8.969 20 HB3 SER 5 2HB SER 5 10.804 27.543 -8.566 21 HG SER 5 HG SER 5 12.571 28.657 -9.884 22 H SER 6 H SER 6 10.180 27.056 -5.443 23 HA SER 6 HA SER 6 9.873 24.235 -5.842 24 HB2 SER 6 1HB SER 6 11.732 24.161 -4.265 25 HB3 SER 6 2HB SER 6 10.864 25.221 -3.155 26 HG SER 6 HG SER 6 10.039 23.467 -2.368 27 H GLY 7 H GLY 7 7.953 23.402 -4.894 28 HA2 GLY 7 1HA GLY 7 6.168 25.475 -3.778 29 HA3 GLY 7 2HA GLY 7 5.625 24.354 -5.018 30 HA PRO 8 HA PRO 8 4.344 22.551 -0.987 31 HB2 PRO 8 1HB PRO 8 1.970 21.617 -1.917 32 HB3 PRO 8 2HB PRO 8 2.190 23.271 -1.333 33 HG2 PRO 8 1HG PRO 8 2.159 22.243 -4.145 34 HG3 PRO 8 2HG PRO 8 1.399 23.700 -3.477 35 HD2 PRO 8 1HD PRO 8 3.731 23.772 -4.851 36 HD3 PRO 8 2HD PRO 8 3.364 24.903 -3.532 37 H ALA 9 H ALA 9 4.375 20.409 -0.359 38 HA ALA 9 HA ALA 9 5.464 18.546 -2.284 39 HB1 ALA 9 3HB ALA 9 4.922 17.354 0.271 40 HB2 ALA 9 1HB ALA 9 6.471 17.675 -0.509 41 HB3 ALA 9 2HB ALA 9 5.708 18.918 0.482 42 H ALA 10 H ALA 10 2.839 19.240 -2.920 43 HA ALA 10 HA ALA 10 0.947 17.355 -1.943 44 HB1 ALA 10 3HB ALA 10 0.983 19.192 -4.318 45 HB2 ALA 10 1HB ALA 10 -0.354 18.084 -4.008 46 HB3 ALA 10 2HB ALA 10 0.048 19.333 -2.829 47 H ILE 11 H ILE 11 -0.226 15.867 -3.532 48 HA ILE 11 HA ILE 11 1.794 14.166 -4.786 49 HB ILE 11 HB ILE 11 -1.096 13.613 -4.109 50 HG12 ILE 11 1HG1 ILE 11 1.311 12.272 -2.911 51 HG13 ILE 11 2HG1 ILE 11 0.739 13.811 -2.278 52 HG21 ILE 11 1HG2 ILE 11 -1.018 11.870 -5.478 53 HG22 ILE 11 2HG2 ILE 11 0.613 12.323 -5.972 54 HG23 ILE 11 3HG2 ILE 11 0.376 11.240 -4.600 55 HD11 ILE 11 3HD1 ILE 11 -0.062 11.651 -1.164 56 HD12 ILE 11 1HD1 ILE 11 -1.256 12.898 -1.526 57 HD13 ILE 11 2HD1 ILE 11 -1.113 11.483 -2.570 58 H ILE 12 H ILE 12 2.030 14.036 -6.917 59 HA ILE 12 HA ILE 12 0.103 15.405 -8.632 60 HB ILE 12 HB ILE 12 1.982 14.703 -10.379 61 HG12 ILE 12 1HG1 ILE 12 3.148 13.457 -8.428 62 HG13 ILE 12 2HG1 ILE 12 4.133 14.448 -9.498 63 HG21 ILE 12 1HG2 ILE 12 1.453 17.003 -8.726 64 HG22 ILE 12 2HG2 ILE 12 3.168 16.890 -9.117 65 HG23 ILE 12 3HG2 ILE 12 1.970 16.926 -10.411 66 HD11 ILE 12 3HD1 ILE 12 3.099 15.914 -7.207 67 HD12 ILE 12 1HD1 ILE 12 4.128 14.551 -6.767 68 HD13 ILE 12 2HD1 ILE 12 4.740 15.806 -7.844 69 H LYS 13 H LYS 13 1.516 12.225 -8.107 70 HA LYS 13 HA LYS 13 -0.308 11.114 -10.133 71 HB2 LYS 13 1HB LYS 13 2.305 10.108 -9.018 72 HB3 LYS 13 2HB LYS 13 1.214 9.070 -9.926 73 HG2 LYS 13 1HG LYS 13 1.348 10.825 -11.769 74 HG3 LYS 13 2HG LYS 13 2.722 11.482 -10.876 75 HD2 LYS 13 1HD LYS 13 3.844 10.049 -12.245 76 HD3 LYS 13 2HD LYS 13 3.475 8.932 -10.928 77 HE2 LYS 13 1HE LYS 13 1.586 8.060 -12.122 78 HE3 LYS 13 2HE LYS 13 1.751 9.288 -13.376 79 HZ1 LYS 13 3HZ LYS 13 3.150 6.795 -13.057 80 HZ2 LYS 13 1HZ LYS 13 4.178 8.101 -13.372 81 HZ3 LYS 13 2HZ LYS 13 2.921 7.736 -14.443 82 HA PRO 14 HA PRO 14 -2.465 9.736 -6.416 83 HB2 PRO 14 1HB PRO 14 -4.737 9.044 -7.730 84 HB3 PRO 14 2HB PRO 14 -4.357 10.711 -7.281 85 HG2 PRO 14 1HG PRO 14 -4.018 9.335 -9.918 86 HG3 PRO 14 2HG PRO 14 -4.634 10.962 -9.576 87 HD2 PRO 14 1HD PRO 14 -2.102 10.512 -10.424 88 HD3 PRO 14 2HD PRO 14 -2.520 11.848 -9.332 89 H LEU 15 H LEU 15 -3.183 7.695 -5.662 90 HA LEU 15 HA LEU 15 -1.779 5.478 -6.728 91 HB2 LEU 15 1HB LEU 15 -4.061 5.375 -4.770 92 HB3 LEU 15 2HB LEU 15 -2.762 4.201 -4.972 93 HG LEU 15 HG LEU 15 -2.082 6.988 -4.150 94 HD11 LEU 15 1HD1 LEU 15 -2.259 5.827 -1.754 95 HD12 LEU 15 2HD1 LEU 15 -3.603 5.015 -2.556 96 HD13 LEU 15 3HD1 LEU 15 -3.570 6.775 -2.457 97 HD21 LEU 15 3HD2 LEU 15 -0.505 4.959 -4.713 98 HD22 LEU 15 1HD2 LEU 15 -0.887 4.490 -3.056 99 HD23 LEU 15 2HD2 LEU 15 -0.139 6.054 -3.379 100 H GLU 16 H GLU 16 -2.998 3.320 -7.058 101 HA GLU 16 HA GLU 16 -5.488 3.698 -8.549 102 HB2 GLU 16 1HB GLU 16 -3.042 2.307 -9.654 103 HB3 GLU 16 2HB GLU 16 -4.629 2.309 -10.409 104 HG2 GLU 16 1HG GLU 16 -4.452 4.833 -10.456 105 HG3 GLU 16 2HG GLU 16 -2.756 4.620 -10.028 106 H ASP 17 H ASP 17 -6.850 1.939 -8.553 107 HA ASP 17 HA ASP 17 -6.845 0.200 -6.430 108 HB2 ASP 17 1HB ASP 17 -8.075 -0.226 -9.161 109 HB3 ASP 17 2HB ASP 17 -8.479 -1.158 -7.722 110 H GLN 18 H GLN 18 -5.985 -1.748 -5.956 111 HA GLN 18 HA GLN 18 -4.137 -2.897 -7.934 112 HB2 GLN 18 1HB GLN 18 -4.157 -3.135 -4.921 113 HB3 GLN 18 2HB GLN 18 -3.015 -3.946 -5.984 114 HG2 GLN 18 1HG GLN 18 -3.328 -0.972 -5.651 115 HG3 GLN 18 2HG GLN 18 -2.028 -1.967 -4.998 116 HE21 GLN 18 1HE2 GLN 18 -1.245 0.085 -6.445 117 HE22 GLN 18 2HE2 GLN 18 -0.705 -0.397 -8.013 118 H TRP 19 H TRP 19 -4.236 -5.034 -8.481 119 HA TRP 19 HA TRP 19 -6.462 -6.584 -7.326 120 HB2 TRP 19 1HB TRP 19 -5.584 -6.283 -10.187 121 HB3 TRP 19 2HB TRP 19 -6.475 -7.708 -9.661 122 HD1 TRP 19 HD TRP 19 -9.035 -7.343 -8.898 123 HE1 TRP 19 1HE TRP 19 -10.722 -5.480 -9.453 124 HE3 TRP 19 3HE TRP 19 -5.787 -3.799 -10.640 125 HZ2 TRP 19 2HZ TRP 19 -10.682 -2.856 -10.493 126 HZ3 TRP 19 3HZ TRP 19 -6.693 -1.640 -11.396 127 HH2 TRP 19 HH TRP 19 -9.089 -1.180 -11.324 128 H VAL 20 H VAL 20 -5.303 -7.825 -5.914 129 HA VAL 20 HA VAL 20 -3.304 -9.626 -7.115 130 HB VAL 20 HB VAL 20 -2.002 -9.617 -5.110 131 HG11 VAL 20 1HG1 VAL 20 -2.059 -7.564 -6.802 132 HG12 VAL 20 2HG1 VAL 20 -2.500 -6.703 -5.326 133 HG13 VAL 20 3HG1 VAL 20 -0.986 -7.605 -5.404 134 HG21 VAL 20 3HG2 VAL 20 -3.200 -9.432 -3.216 135 HG22 VAL 20 1HG2 VAL 20 -2.894 -7.705 -3.400 136 HG23 VAL 20 2HG2 VAL 20 -4.415 -8.396 -3.965 137 H ALA 21 H ALA 21 -2.885 -11.420 -5.212 138 HA ALA 21 HA ALA 21 -5.547 -12.591 -4.760 139 HB1 ALA 21 3HB ALA 21 -3.520 -14.533 -4.389 140 HB2 ALA 21 1HB ALA 21 -4.723 -14.434 -5.676 141 HB3 ALA 21 2HB ALA 21 -3.154 -13.653 -5.873 142 HA PRO 22 HA PRO 22 -5.095 -12.586 -0.396 143 HB2 PRO 22 1HB PRO 22 -6.092 -15.011 0.310 144 HB3 PRO 22 2HB PRO 22 -7.108 -13.688 -0.276 145 HG2 PRO 22 1HG PRO 22 -6.046 -16.061 -1.760 146 HG3 PRO 22 2HG PRO 22 -7.665 -15.339 -1.816 147 HD2 PRO 22 1HD PRO 22 -5.797 -14.877 -3.721 148 HD3 PRO 22 2HD PRO 22 -7.005 -13.663 -3.253 149 H GLY 23 H GLY 23 -2.737 -12.589 -0.463 150 HA2 GLY 23 1HA GLY 23 -1.382 -14.064 1.243 151 HA3 GLY 23 2HA GLY 23 -1.454 -15.194 -0.101 152 H GLU 24 H GLU 24 -1.406 -12.438 -1.697 153 HA GLU 24 HA GLU 24 1.479 -12.541 -2.075 154 HB2 GLU 24 1HB GLU 24 -0.505 -10.870 -3.614 155 HB3 GLU 24 2HB GLU 24 1.118 -11.335 -4.104 156 HG2 GLU 24 1HG GLU 24 0.099 -13.764 -3.838 157 HG3 GLU 24 2HG GLU 24 -1.401 -12.892 -4.150 158 H ASP 25 H ASP 25 2.426 -10.251 -2.681 159 HA ASP 25 HA ASP 25 1.849 -8.512 -0.382 160 HB2 ASP 25 1HB ASP 25 4.156 -7.568 -0.915 161 HB3 ASP 25 2HB ASP 25 4.108 -9.215 -0.293 162 H VAL 26 H VAL 26 1.258 -6.430 -0.651 163 HA VAL 26 HA VAL 26 0.949 -5.483 -3.423 164 HB VAL 26 HB VAL 26 -0.619 -4.794 -0.938 165 HG11 VAL 26 1HG1 VAL 26 -1.758 -3.676 -3.298 166 HG12 VAL 26 2HG1 VAL 26 -1.202 -2.851 -1.841 167 HG13 VAL 26 3HG1 VAL 26 -0.082 -3.143 -3.172 168 HG21 VAL 26 3HG2 VAL 26 -1.645 -5.900 -3.538 169 HG22 VAL 26 1HG2 VAL 26 -1.076 -6.940 -2.231 170 HG23 VAL 26 2HG2 VAL 26 -2.446 -5.860 -1.967 171 H GLU 27 H GLU 27 1.838 -3.591 -4.048 172 HA GLU 27 HA GLU 27 3.134 -1.936 -1.986 173 HB2 GLU 27 1HB GLU 27 4.263 -2.655 -4.697 174 HB3 GLU 27 2HB GLU 27 4.995 -1.536 -3.556 175 HG2 GLU 27 1HG GLU 27 5.365 -3.303 -1.974 176 HG3 GLU 27 2HG GLU 27 4.484 -4.445 -2.987 177 H LEU 28 H LEU 28 1.859 -0.180 -1.940 178 HA LEU 28 HA LEU 28 0.864 0.958 -4.437 179 HB2 LEU 28 1HB LEU 28 0.309 1.681 -1.564 180 HB3 LEU 28 2HB LEU 28 -0.440 2.449 -2.962 181 HG LEU 28 HG LEU 28 -0.727 -0.499 -2.624 182 HD11 LEU 28 1HD1 LEU 28 -1.570 -0.222 -0.569 183 HD12 LEU 28 2HD1 LEU 28 -2.967 0.454 -1.406 184 HD13 LEU 28 3HD1 LEU 28 -1.725 1.525 -0.758 185 HD21 LEU 28 3HD2 LEU 28 -3.104 0.417 -3.418 186 HD22 LEU 28 1HD2 LEU 28 -1.788 0.078 -4.542 187 HD23 LEU 28 2HD2 LEU 28 -2.090 1.733 -4.011 188 H ARG 29 H ARG 29 2.375 2.150 -5.438 189 HA ARG 29 HA ARG 29 4.060 3.949 -3.858 190 HB2 ARG 29 1HB ARG 29 4.219 3.202 -6.784 191 HB3 ARG 29 2HB ARG 29 5.373 4.209 -5.919 192 HG2 ARG 29 1HG ARG 29 5.917 2.302 -4.465 193 HG3 ARG 29 2HG ARG 29 4.801 1.300 -5.395 194 HD2 ARG 29 1HD ARG 29 7.297 2.654 -6.409 195 HD3 ARG 29 2HD ARG 29 7.058 0.924 -6.163 196 HE ARG 29 HE ARG 29 5.139 2.015 -7.965 197 HH11 ARG 29 2HH1 ARG 29 8.433 0.917 -7.716 198 HH12 ARG 29 1HH1 ARG 29 8.559 0.501 -9.393 199 HH21 ARG 29 2HH2 ARG 29 5.292 1.471 -10.175 200 HH22 ARG 29 1HH2 ARG 29 6.772 0.818 -10.791 201 H CYS 30 H CYS 30 4.342 6.164 -4.515 202 HA CYS 30 HA CYS 30 2.251 7.290 -6.215 203 HB2 CYS 30 1HB CYS 30 1.311 8.674 -4.616 204 HB3 CYS 30 2HB CYS 30 1.627 7.225 -3.670 205 HG CYS 30 HG CYS 30 3.713 9.936 -3.727 206 H GLU 31 H GLU 31 2.630 9.898 -6.003 207 HA GLU 31 HA GLU 31 5.517 10.388 -6.219 208 HB2 GLU 31 1HB GLU 31 4.376 9.976 -8.477 209 HB3 GLU 31 2HB GLU 31 3.565 11.514 -8.216 210 HG2 GLU 31 1HG GLU 31 5.375 12.118 -9.500 211 HG3 GLU 31 2HG GLU 31 5.948 12.444 -7.866 212 H LEU 32 H LEU 32 6.193 12.348 -5.491 213 HA LEU 32 HA LEU 32 4.112 14.225 -4.582 214 HB2 LEU 32 1HB LEU 32 6.763 13.887 -3.220 215 HB3 LEU 32 2HB LEU 32 5.308 14.675 -2.613 216 HG LEU 32 HG LEU 32 5.248 11.741 -3.157 217 HD11 LEU 32 1HD1 LEU 32 7.239 12.791 -1.576 218 HD12 LEU 32 2HD1 LEU 32 6.596 11.152 -1.484 219 HD13 LEU 32 3HD1 LEU 32 5.964 12.407 -0.419 220 HD21 LEU 32 3HD2 LEU 32 3.994 12.413 -0.758 221 HD22 LEU 32 1HD2 LEU 32 3.222 12.070 -2.306 222 HD23 LEU 32 2HD2 LEU 32 3.611 13.733 -1.865 223 H SER 33 H SER 33 4.448 16.384 -4.921 224 HA SER 33 HA SER 33 6.213 17.120 -7.017 225 HB2 SER 33 1HB SER 33 4.145 18.312 -6.815 226 HB3 SER 33 2HB SER 33 4.495 18.758 -5.145 227 HG SER 33 HG SER 33 4.911 20.321 -7.008 228 H ARG 34 H ARG 34 6.689 16.739 -3.704 229 HA ARG 34 HA ARG 34 9.353 17.840 -3.888 230 HB2 ARG 34 1HB ARG 34 7.536 19.632 -3.089 231 HB3 ARG 34 2HB ARG 34 7.832 18.850 -1.542 232 HG2 ARG 34 1HG ARG 34 10.179 19.700 -3.150 233 HG3 ARG 34 2HG ARG 34 9.226 20.940 -2.332 234 HD2 ARG 34 1HD ARG 34 9.685 20.067 -0.218 235 HD3 ARG 34 2HD ARG 34 10.167 18.501 -0.868 236 HE ARG 34 HE ARG 34 12.025 20.150 -1.897 237 HH11 ARG 34 2HH1 ARG 34 10.808 19.707 1.335 238 HH12 ARG 34 1HH1 ARG 34 12.299 20.153 2.097 239 HH21 ARG 34 2HH2 ARG 34 13.992 20.739 -0.906 240 HH22 ARG 34 1HH2 ARG 34 14.109 20.741 0.822 241 H ALA 35 H ALA 35 10.663 16.449 -2.917 242 HA ALA 35 HA ALA 35 9.720 14.260 -1.399 243 HB1 ALA 35 3HB ALA 35 11.668 13.628 -2.329 244 HB2 ALA 35 1HB ALA 35 12.330 15.263 -2.309 245 HB3 ALA 35 2HB ALA 35 12.366 14.277 -0.846 246 H GLY 36 H GLY 36 11.242 13.841 0.740 247 HA2 GLY 36 1HA GLY 36 11.316 14.259 2.997 248 HA3 GLY 36 2HA GLY 36 11.768 15.890 2.523 249 H THR 37 H THR 37 8.782 13.938 2.434 250 HA THR 37 HA THR 37 7.453 15.999 4.034 251 HB THR 37 HB THR 37 6.354 14.957 1.416 252 HG1 THR 37 1HG THR 37 7.630 17.323 2.201 253 HG21 THR 37 3HG2 THR 37 5.066 17.165 2.927 254 HG22 THR 37 1HG2 THR 37 4.827 15.523 3.523 255 HG23 THR 37 2HG2 THR 37 4.348 15.943 1.878 256 HA PRO 38 HA PRO 38 5.896 12.402 6.080 257 HB2 PRO 38 1HB PRO 38 4.005 13.637 7.586 258 HB3 PRO 38 2HB PRO 38 5.734 13.733 7.946 259 HG2 PRO 38 1HG PRO 38 3.979 15.711 6.543 260 HG3 PRO 38 2HG PRO 38 5.232 15.996 7.765 261 HD2 PRO 38 1HD PRO 38 5.663 16.380 5.119 262 HD3 PRO 38 2HD PRO 38 6.943 15.845 6.228 263 H VAL 39 H VAL 39 4.221 10.971 5.868 264 HA VAL 39 HA VAL 39 1.909 11.848 4.263 265 HB VAL 39 HB VAL 39 3.641 10.333 3.099 266 HG11 VAL 39 1HG1 VAL 39 2.193 8.094 4.445 267 HG12 VAL 39 2HG1 VAL 39 3.748 8.086 3.610 268 HG13 VAL 39 3HG1 VAL 39 3.611 8.806 5.214 269 HG21 VAL 39 3HG2 VAL 39 0.852 9.227 3.088 270 HG22 VAL 39 1HG2 VAL 39 1.208 10.833 2.454 271 HG23 VAL 39 2HG2 VAL 39 1.976 9.414 1.742 272 H HIS 40 H HIS 40 -0.065 10.670 4.606 273 HA HIS 40 HA HIS 40 -0.187 9.304 7.214 274 HB2 HIS 40 1HB HIS 40 -1.189 11.739 6.922 275 HB3 HIS 40 2HB HIS 40 -2.539 10.853 6.219 276 HD1 HIS 40 1HD HIS 40 -2.543 12.459 8.980 277 HD2 HIS 40 2HD HIS 40 -2.274 8.340 8.506 278 HE1 HIS 40 1HE HIS 40 -3.365 11.478 11.145 279 HE2 HIS 40 2HE HIS 40 -3.113 8.988 10.866 280 H TRP 41 H TRP 41 -0.371 7.221 6.588 281 HA TRP 41 HA TRP 41 -2.049 6.460 4.363 282 HB2 TRP 41 1HB TRP 41 -0.395 4.873 6.330 283 HB3 TRP 41 2HB TRP 41 -1.380 4.120 5.079 284 HD1 TRP 41 HD TRP 41 1.901 5.930 5.610 285 HE1 TRP 41 1HE TRP 41 3.244 5.911 3.415 286 HE3 TRP 41 3HE TRP 41 -1.709 4.138 2.464 287 HZ2 TRP 41 2HZ TRP 41 2.828 5.229 0.708 288 HZ3 TRP 41 3HZ TRP 41 -1.155 3.832 0.087 289 HH2 TRP 41 HH TRP 41 1.067 4.367 -0.772 290 H LEU 42 H LEU 42 -4.185 6.505 4.648 291 HA LEU 42 HA LEU 42 -5.283 5.512 7.193 292 HB2 LEU 42 1HB LEU 42 -6.663 7.244 5.153 293 HB3 LEU 42 2HB LEU 42 -7.244 6.826 6.764 294 HG LEU 42 HG LEU 42 -4.672 8.304 6.547 295 HD11 LEU 42 1HD1 LEU 42 -5.766 9.726 5.112 296 HD12 LEU 42 2HD1 LEU 42 -6.209 10.412 6.675 297 HD13 LEU 42 3HD1 LEU 42 -7.351 9.386 5.807 298 HD21 LEU 42 3HD2 LEU 42 -5.253 9.118 8.657 299 HD22 LEU 42 1HD2 LEU 42 -5.812 7.445 8.677 300 HD23 LEU 42 2HD2 LEU 42 -6.965 8.756 8.429 301 H LYS 43 H LYS 43 -6.235 3.596 7.147 302 HA LYS 43 HA LYS 43 -7.205 2.566 4.564 303 HB2 LYS 43 1HB LYS 43 -5.400 1.226 5.479 304 HB3 LYS 43 2HB LYS 43 -6.241 1.085 7.017 305 HG2 LYS 43 1HG LYS 43 -8.121 0.040 5.473 306 HG3 LYS 43 2HG LYS 43 -6.727 -0.313 4.449 307 HD2 LYS 43 1HD LYS 43 -5.688 -1.201 6.680 308 HD3 LYS 43 2HD LYS 43 -7.374 -1.309 7.191 309 HE2 LYS 43 1HE LYS 43 -7.087 -3.392 6.287 310 HE3 LYS 43 2HE LYS 43 -7.656 -2.512 4.869 311 HZ1 LYS 43 3HZ LYS 43 -5.725 -3.875 4.360 312 HZ2 LYS 43 1HZ LYS 43 -4.813 -3.062 5.530 313 HZ3 LYS 43 2HZ LYS 43 -5.366 -2.234 4.163 314 H ASP 44 H ASP 44 -9.286 3.393 4.652 315 HA ASP 44 HA ASP 44 -11.527 3.220 5.057 316 HB2 ASP 44 1HB ASP 44 -10.817 0.757 5.577 317 HB3 ASP 44 2HB ASP 44 -11.064 1.233 7.255 318 H ARG 45 H ARG 45 -10.237 5.296 6.154 319 HA ARG 45 HA ARG 45 -10.418 6.930 7.726 320 HB2 ARG 45 1HB ARG 45 -12.800 5.297 8.623 321 HB3 ARG 45 2HB ARG 45 -12.441 6.936 9.150 322 HG2 ARG 45 1HG ARG 45 -12.762 6.307 6.244 323 HG3 ARG 45 2HG ARG 45 -14.168 6.572 7.276 324 HD2 ARG 45 1HD ARG 45 -11.932 8.544 7.324 325 HD3 ARG 45 2HD ARG 45 -13.062 8.561 5.971 326 HE ARG 45 HE ARG 45 -14.637 8.536 8.212 327 HH11 ARG 45 2HH1 ARG 45 -12.115 10.585 6.962 328 HH12 ARG 45 1HH1 ARG 45 -12.739 12.024 7.700 329 HH21 ARG 45 2HH2 ARG 45 -15.468 10.423 9.188 330 HH22 ARG 45 1HH2 ARG 45 -14.646 11.930 8.966 331 H LYS 46 H LYS 46 -8.601 4.883 8.247 332 HA LYS 46 HA LYS 46 -8.477 5.046 11.156 333 HB2 LYS 46 1HB LYS 46 -8.428 2.469 9.591 334 HB3 LYS 46 2HB LYS 46 -7.742 2.601 11.206 335 HG2 LYS 46 1HG LYS 46 -9.819 2.954 12.193 336 HG3 LYS 46 2HG LYS 46 -10.575 3.404 10.663 337 HD2 LYS 46 1HD LYS 46 -10.036 0.995 9.932 338 HD3 LYS 46 2HD LYS 46 -9.796 0.679 11.652 339 HE2 LYS 46 1HE LYS 46 -12.099 1.669 12.013 340 HE3 LYS 46 2HE LYS 46 -12.301 1.602 10.263 341 HZ1 LYS 46 3HZ LYS 46 -11.588 -0.775 11.879 342 HZ2 LYS 46 1HZ LYS 46 -12.140 -0.732 10.280 343 HZ3 LYS 46 2HZ LYS 46 -13.190 -0.345 11.548 344 H ALA 47 H ALA 47 -6.579 5.936 11.589 345 HA ALA 47 HA ALA 47 -4.468 6.218 9.787 346 HB1 ALA 47 3HB ALA 47 -4.729 7.687 11.693 347 HB2 ALA 47 1HB ALA 47 -4.414 6.349 12.799 348 HB3 ALA 47 2HB ALA 47 -3.136 6.931 11.731 349 H ILE 48 H ILE 48 -3.054 4.795 9.037 350 HA ILE 48 HA ILE 48 -2.802 2.186 10.235 351 HB ILE 48 HB ILE 48 -1.310 3.358 7.884 352 HG12 ILE 48 1HG1 ILE 48 -3.755 1.576 7.936 353 HG13 ILE 48 2HG1 ILE 48 -3.766 3.296 7.563 354 HG21 ILE 48 1HG2 ILE 48 -0.883 0.987 9.342 355 HG22 ILE 48 2HG2 ILE 48 -1.617 0.518 7.810 356 HG23 ILE 48 3HG2 ILE 48 -0.137 1.476 7.822 357 HD11 ILE 48 3HD1 ILE 48 -1.869 1.969 5.890 358 HD12 ILE 48 1HD1 ILE 48 -3.426 1.147 5.799 359 HD13 ILE 48 2HD1 ILE 48 -3.317 2.871 5.444 360 H ARG 49 H ARG 49 -1.053 1.329 11.277 361 HA ARG 49 HA ARG 49 1.024 3.249 12.088 362 HB2 ARG 49 1HB ARG 49 1.318 1.932 14.088 363 HB3 ARG 49 2HB ARG 49 -0.390 2.303 13.898 364 HG2 ARG 49 1HG ARG 49 -0.428 -0.037 12.698 365 HG3 ARG 49 2HG ARG 49 1.026 -0.298 13.665 366 HD2 ARG 49 1HD ARG 49 -1.443 0.786 14.952 367 HD3 ARG 49 2HD ARG 49 -1.317 -0.940 14.617 368 HE ARG 49 HE ARG 49 0.987 0.038 15.973 369 HH11 ARG 49 2HH1 ARG 49 -2.323 -0.934 16.443 370 HH12 ARG 49 1HH1 ARG 49 -2.091 -1.389 18.098 371 HH21 ARG 49 2HH2 ARG 49 1.305 -0.558 18.152 372 HH22 ARG 49 1HH2 ARG 49 -0.027 -1.174 19.070 373 H LYS 50 H LYS 50 2.889 3.011 11.062 374 HA LYS 50 HA LYS 50 3.679 1.063 9.346 375 HB2 LYS 50 1HB LYS 50 4.909 3.163 9.702 376 HB3 LYS 50 2HB LYS 50 5.487 2.563 11.251 377 HG2 LYS 50 1HG LYS 50 6.766 0.843 10.174 378 HG3 LYS 50 2HG LYS 50 6.080 1.261 8.603 379 HD2 LYS 50 1HD LYS 50 8.176 2.290 8.589 380 HD3 LYS 50 2HD LYS 50 7.070 3.596 9.020 381 HE2 LYS 50 1HE LYS 50 7.598 3.122 11.424 382 HE3 LYS 50 2HE LYS 50 8.846 2.009 10.866 383 HZ1 LYS 50 3HZ LYS 50 9.073 4.539 9.588 384 HZ2 LYS 50 1HZ LYS 50 10.221 3.691 10.495 385 HZ3 LYS 50 2HZ LYS 50 9.117 4.711 11.270 386 H SER 51 H SER 51 3.687 -1.067 9.629 387 HA SER 51 HA SER 51 5.271 -2.207 11.777 388 HB2 SER 51 1HB SER 51 2.738 -1.921 12.449 389 HB3 SER 51 2HB SER 51 2.526 -3.354 11.443 390 HG SER 51 HG SER 51 3.612 -4.531 12.856 391 H GLN 52 H GLN 52 5.386 -4.647 11.533 392 HA GLN 52 HA GLN 52 6.528 -5.453 9.255 393 HB2 GLN 52 1HB GLN 52 5.841 -7.770 9.770 394 HB3 GLN 52 2HB GLN 52 6.401 -6.902 11.194 395 HG2 GLN 52 1HG GLN 52 3.933 -6.414 11.641 396 HG3 GLN 52 2HG GLN 52 3.604 -7.671 10.449 397 HE21 GLN 52 1HE2 GLN 52 2.609 -8.162 12.811 398 HE22 GLN 52 2HE2 GLN 52 3.533 -9.329 13.688 399 H LYS 53 H LYS 53 3.034 -5.478 9.830 400 HA LYS 53 HA LYS 53 2.310 -6.646 7.364 401 HB2 LYS 53 1HB LYS 53 0.665 -6.680 9.049 402 HB3 LYS 53 2HB LYS 53 0.835 -4.960 9.371 403 HG2 LYS 53 1HG LYS 53 -1.239 -5.345 8.237 404 HG3 LYS 53 2HG LYS 53 -0.144 -4.488 7.149 405 HD2 LYS 53 1HD LYS 53 -1.037 -6.128 5.775 406 HD3 LYS 53 2HD LYS 53 0.477 -6.862 6.309 407 HE2 LYS 53 1HE LYS 53 -0.975 -8.599 6.664 408 HE3 LYS 53 2HE LYS 53 -1.036 -7.806 8.238 409 HZ1 LYS 53 3HZ LYS 53 -3.137 -7.070 7.890 410 HZ2 LYS 53 1HZ LYS 53 -3.206 -8.448 6.911 411 HZ3 LYS 53 2HZ LYS 53 -2.951 -6.928 6.214 412 H TYR 54 H TYR 54 2.202 -3.235 8.406 413 HA TYR 54 HA TYR 54 2.171 -2.454 5.571 414 HB2 TYR 54 1HB TYR 54 1.475 -0.751 7.970 415 HB3 TYR 54 2HB TYR 54 1.225 -0.345 6.276 416 HD1 TYR 54 2HD TYR 54 -0.158 -2.348 5.003 417 HD2 TYR 54 1HD TYR 54 -0.436 -1.305 9.119 418 HE1 TYR 54 2HE TYR 54 -2.410 -3.333 5.095 419 HE2 TYR 54 1HE TYR 54 -2.688 -2.289 9.222 420 HH TYR 54 HH TYR 54 -4.548 -2.801 7.635 421 H ASP 55 H ASP 55 4.165 -2.091 4.848 422 HA ASP 55 HA ASP 55 6.134 -0.838 6.621 423 HB2 ASP 55 1HB ASP 55 6.571 -2.090 3.902 424 HB3 ASP 55 2HB ASP 55 7.815 -1.588 5.044 425 H VAL 56 H VAL 56 5.822 1.321 6.571 426 HA VAL 56 HA VAL 56 5.130 2.726 4.163 427 HB VAL 56 HB VAL 56 6.031 3.828 6.828 428 HG11 VAL 56 1HG1 VAL 56 6.152 5.268 4.677 429 HG12 VAL 56 2HG1 VAL 56 4.392 5.305 4.808 430 HG13 VAL 56 3HG1 VAL 56 5.389 5.937 6.119 431 HG21 VAL 56 3HG2 VAL 56 3.424 4.342 6.797 432 HG22 VAL 56 1HG2 VAL 56 3.413 2.887 5.799 433 HG23 VAL 56 2HG2 VAL 56 4.074 2.831 7.433 434 H VAL 57 H VAL 57 6.673 2.682 2.616 435 HA VAL 57 HA VAL 57 9.458 3.175 3.315 436 HB VAL 57 HB VAL 57 8.175 2.537 0.655 437 HG11 VAL 57 1HG1 VAL 57 11.117 2.547 1.280 438 HG12 VAL 57 2HG1 VAL 57 10.334 2.403 -0.294 439 HG13 VAL 57 3HG1 VAL 57 10.286 3.935 0.579 440 HG21 VAL 57 3HG2 VAL 57 9.916 0.826 2.428 441 HG22 VAL 57 1HG2 VAL 57 8.158 0.712 2.333 442 HG23 VAL 57 2HG2 VAL 57 9.143 0.344 0.917 443 H CYS 58 H CYS 58 10.649 4.932 2.637 444 HA CYS 58 HA CYS 58 9.383 7.009 1.050 445 HB2 CYS 58 1HB CYS 58 8.619 7.657 3.231 446 HB3 CYS 58 2HB CYS 58 10.220 7.426 3.922 447 HG CYS 58 HG CYS 58 11.332 9.573 2.411 448 H GLU 59 H GLU 59 10.890 7.237 -0.475 449 HA GLU 59 HA GLU 59 13.702 7.471 0.374 450 HB2 GLU 59 1HB GLU 59 12.538 6.500 -2.240 451 HB3 GLU 59 2HB GLU 59 14.250 6.805 -1.983 452 HG2 GLU 59 1HG GLU 59 12.603 4.826 -0.426 453 HG3 GLU 59 2HG GLU 59 13.646 4.428 -1.790 454 H GLY 60 H GLY 60 11.978 8.372 -2.606 455 HA2 GLY 60 1HA GLY 60 12.529 11.194 -2.082 456 HA3 GLY 60 2HA GLY 60 13.291 10.482 -3.497 457 H THR 61 H THR 61 10.571 12.055 -2.331 458 HA THR 61 HA THR 61 8.475 12.469 -3.152 459 HB THR 61 HB THR 61 8.392 13.049 -5.522 460 HG1 THR 61 1HG THR 61 9.793 11.181 -6.122 461 HG21 THR 61 3HG2 THR 61 9.859 14.309 -3.660 462 HG22 THR 61 1HG2 THR 61 9.705 14.891 -5.317 463 HG23 THR 61 2HG2 THR 61 11.124 13.959 -4.838 464 H MET 62 H MET 62 9.213 9.612 -2.793 465 HA MET 62 HA MET 62 7.019 8.505 -4.367 466 HB2 MET 62 1HB MET 62 8.910 7.934 -5.727 467 HB3 MET 62 2HB MET 62 9.820 7.380 -4.328 468 HG2 MET 62 1HG MET 62 7.756 5.732 -4.115 469 HG3 MET 62 2HG MET 62 7.664 6.037 -5.848 470 HE1 MET 62 3HE MET 62 11.101 4.320 -3.460 471 HE2 MET 62 1HE MET 62 9.621 5.099 -2.899 472 HE3 MET 62 2HE MET 62 9.597 3.401 -3.373 473 H ALA 63 H ALA 63 5.690 7.967 -2.744 474 HA ALA 63 HA ALA 63 6.796 6.625 -0.380 475 HB1 ALA 63 3HB ALA 63 5.398 8.609 0.008 476 HB2 ALA 63 1HB ALA 63 4.048 7.800 -0.788 477 HB3 ALA 63 2HB ALA 63 4.700 7.155 0.719 478 H MET 64 H MET 64 6.728 4.484 -0.340 479 HA MET 64 HA MET 64 4.579 3.114 -1.817 480 HB2 MET 64 1HB MET 64 6.895 2.701 -2.641 481 HB3 MET 64 2HB MET 64 7.295 2.017 -1.071 482 HG2 MET 64 1HG MET 64 5.611 0.277 -1.400 483 HG3 MET 64 2HG MET 64 5.220 0.961 -2.976 484 HE1 MET 64 3HE MET 64 9.161 -0.010 -1.519 485 HE2 MET 64 1HE MET 64 7.683 -0.463 -0.670 486 HE3 MET 64 2HE MET 64 8.556 -1.664 -1.623 487 H LEU 65 H LEU 65 3.260 1.748 -0.753 488 HA LEU 65 HA LEU 65 3.853 1.234 2.088 489 HB2 LEU 65 1HB LEU 65 1.970 2.731 1.832 490 HB3 LEU 65 2HB LEU 65 1.193 1.607 0.720 491 HG LEU 65 HG LEU 65 1.087 -0.028 2.649 492 HD11 LEU 65 1HD1 LEU 65 2.582 0.698 4.244 493 HD12 LEU 65 2HD1 LEU 65 1.052 1.287 4.893 494 HD13 LEU 65 3HD1 LEU 65 2.136 2.393 4.048 495 HD21 LEU 65 3HD2 LEU 65 -0.538 2.147 3.643 496 HD22 LEU 65 1HD2 LEU 65 -1.023 0.641 2.864 497 HD23 LEU 65 2HD2 LEU 65 -0.599 2.044 1.882 498 H VAL 66 H VAL 66 4.660 -0.786 2.112 499 HA VAL 66 HA VAL 66 3.662 -2.862 0.388 500 HB VAL 66 HB VAL 66 5.444 -3.296 2.774 501 HG11 VAL 66 1HG1 VAL 66 4.370 -5.102 1.128 502 HG12 VAL 66 2HG1 VAL 66 5.805 -4.690 0.188 503 HG13 VAL 66 3HG1 VAL 66 5.972 -5.293 1.838 504 HG21 VAL 66 3HG2 VAL 66 6.017 -1.852 0.266 505 HG22 VAL 66 1HG2 VAL 66 6.787 -1.734 1.848 506 HG23 VAL 66 2HG2 VAL 66 7.210 -3.054 0.757 507 H ILE 67 H ILE 67 2.414 -4.617 0.928 508 HA ILE 67 HA ILE 67 1.240 -4.629 3.629 509 HB ILE 67 HB ILE 67 -0.239 -5.127 1.042 510 HG12 ILE 67 1HG1 ILE 67 -0.960 -2.989 3.000 511 HG13 ILE 67 2HG1 ILE 67 0.399 -2.709 1.917 512 HG21 ILE 67 1HG2 ILE 67 -1.698 -6.282 2.251 513 HG22 ILE 67 2HG2 ILE 67 -0.767 -5.983 3.718 514 HG23 ILE 67 3HG2 ILE 67 -2.007 -4.836 3.211 515 HD11 ILE 67 3HD1 ILE 67 -1.988 -3.718 0.576 516 HD12 ILE 67 1HD1 ILE 67 -2.206 -2.154 1.361 517 HD13 ILE 67 2HD1 ILE 67 -0.931 -2.369 0.161 518 H ARG 68 H ARG 68 2.832 -6.275 4.089 519 HA ARG 68 HA ARG 68 3.267 -8.632 2.761 520 HB2 ARG 68 1HB ARG 68 3.238 -7.958 5.687 521 HB3 ARG 68 2HB ARG 68 3.559 -9.603 5.156 522 HG2 ARG 68 1HG ARG 68 5.119 -7.247 4.142 523 HG3 ARG 68 2HG ARG 68 5.570 -8.141 5.595 524 HD2 ARG 68 1HD ARG 68 5.070 -9.613 3.046 525 HD3 ARG 68 2HD ARG 68 6.603 -8.775 3.281 526 HE ARG 68 HE ARG 68 5.995 -10.410 5.515 527 HH11 ARG 68 2HH1 ARG 68 7.114 -10.548 2.221 528 HH12 ARG 68 1HH1 ARG 68 8.008 -12.015 2.449 529 HH21 ARG 68 2HH2 ARG 68 7.168 -12.341 5.828 530 HH22 ARG 68 1HH2 ARG 68 8.038 -13.034 4.501 531 H GLY 69 H GLY 69 2.242 -10.554 2.501 532 HA2 GLY 69 1HA GLY 69 0.356 -11.867 2.217 533 HA3 GLY 69 2HA GLY 69 0.362 -11.816 3.973 534 H ALA 70 H ALA 70 -0.915 -10.281 1.072 535 HA ALA 70 HA ALA 70 -2.861 -8.775 2.625 536 HB1 ALA 70 3HB ALA 70 -1.804 -7.669 0.737 537 HB2 ALA 70 1HB ALA 70 -2.411 -8.915 -0.354 538 HB3 ALA 70 2HB ALA 70 -3.539 -7.833 0.464 539 H SER 71 H SER 71 -4.381 -10.123 3.447 540 HA SER 71 HA SER 71 -5.533 -12.228 1.823 541 HB2 SER 71 1HB SER 71 -5.856 -11.350 4.679 542 HB3 SER 71 2HB SER 71 -7.008 -12.470 3.953 543 HG SER 71 HG SER 71 -5.343 -13.909 3.582 544 H LEU 72 H LEU 72 -8.045 -12.418 2.051 545 HA LEU 72 HA LEU 72 -9.220 -10.487 0.460 546 HB2 LEU 72 1HB LEU 72 -10.628 -12.243 2.465 547 HB3 LEU 72 2HB LEU 72 -11.355 -11.469 1.058 548 HG LEU 72 HG LEU 72 -9.111 -13.392 0.649 549 HD11 LEU 72 1HD1 LEU 72 -11.233 -14.161 2.188 550 HD12 LEU 72 2HD1 LEU 72 -10.251 -15.236 1.194 551 HD13 LEU 72 3HD1 LEU 72 -11.771 -14.598 0.566 552 HD21 LEU 72 3HD2 LEU 72 -9.837 -13.431 -1.485 553 HD22 LEU 72 1HD2 LEU 72 -10.576 -11.891 -1.046 554 HD23 LEU 72 2HD2 LEU 72 -11.538 -13.369 -1.022 555 H LYS 73 H LYS 73 -8.833 -10.568 3.921 556 HA LYS 73 HA LYS 73 -10.730 -8.534 4.528 557 HB2 LYS 73 1HB LYS 73 -8.551 -9.939 5.986 558 HB3 LYS 73 2HB LYS 73 -9.092 -8.397 6.635 559 HG2 LYS 73 1HG LYS 73 -10.312 -10.116 7.730 560 HG3 LYS 73 2HG LYS 73 -11.419 -9.293 6.629 561 HD2 LYS 73 1HD LYS 73 -9.961 -11.679 5.620 562 HD3 LYS 73 2HD LYS 73 -11.283 -11.937 6.761 563 HE2 LYS 73 1HE LYS 73 -12.781 -10.662 5.298 564 HE3 LYS 73 2HE LYS 73 -11.458 -10.419 4.158 565 HZ1 LYS 73 3HZ LYS 73 -11.381 -13.025 4.282 566 HZ2 LYS 73 1HZ LYS 73 -12.454 -12.230 3.243 567 HZ3 LYS 73 2HZ LYS 73 -13.004 -12.839 4.723 568 H ASP 74 H ASP 74 -7.259 -8.552 3.881 569 HA ASP 74 HA ASP 74 -6.606 -5.954 4.560 570 HB2 ASP 74 1HB ASP 74 -5.569 -7.756 2.377 571 HB3 ASP 74 2HB ASP 74 -4.883 -6.161 2.675 572 H ALA 75 H ALA 75 -8.231 -7.159 1.690 573 HA ALA 75 HA ALA 75 -8.074 -5.016 -0.020 574 HB1 ALA 75 3HB ALA 75 -10.146 -7.093 0.472 575 HB2 ALA 75 1HB ALA 75 -10.542 -5.742 -0.591 576 HB3 ALA 75 2HB ALA 75 -9.169 -6.786 -0.965 577 H GLY 76 H GLY 76 -8.462 -2.930 0.308 578 HA2 GLY 76 1HA GLY 76 -10.980 -2.017 1.316 579 HA3 GLY 76 2HA GLY 76 -9.684 -1.767 2.476 580 H GLU 77 H GLU 77 -10.346 0.517 2.144 581 HA GLU 77 HA GLU 77 -9.356 1.679 -0.354 582 HB2 GLU 77 1HB GLU 77 -11.563 2.413 0.338 583 HB3 GLU 77 2HB GLU 77 -10.946 2.885 1.915 584 HG2 GLU 77 1HG GLU 77 -9.410 4.475 0.609 585 HG3 GLU 77 2HG GLU 77 -10.507 4.190 -0.740 586 H TYR 78 H TYR 78 -7.633 3.040 -0.458 587 HA TYR 78 HA TYR 78 -6.147 3.489 2.048 588 HB2 TYR 78 1HB TYR 78 -5.083 2.895 -0.718 589 HB3 TYR 78 2HB TYR 78 -4.078 3.429 0.625 590 HD1 TYR 78 1HD TYR 78 -3.645 1.949 2.522 591 HD2 TYR 78 2HD TYR 78 -5.965 0.648 -0.798 592 HE1 TYR 78 1HE TYR 78 -3.390 -0.382 3.265 593 HE2 TYR 78 2HE TYR 78 -5.717 -1.687 -0.064 594 HH TYR 78 HH TYR 78 -4.023 -3.002 1.344 595 H THR 79 H THR 79 -6.438 5.562 2.563 596 HA THR 79 HA THR 79 -6.436 7.585 0.438 597 HB THR 79 HB THR 79 -7.236 7.850 3.343 598 HG1 THR 79 1HG THR 79 -9.227 7.453 2.670 599 HG21 THR 79 3HG2 THR 79 -6.656 10.009 2.793 600 HG22 THR 79 1HG2 THR 79 -8.338 9.980 2.266 601 HG23 THR 79 2HG2 THR 79 -7.041 9.793 1.086 602 H CYS 80 H CYS 80 -4.472 8.350 -0.006 603 HA CYS 80 HA CYS 80 -2.445 8.520 2.070 604 HB2 CYS 80 1HB CYS 80 -2.180 7.799 -0.466 605 HB3 CYS 80 2HB CYS 80 -1.988 9.532 -0.703 606 HG CYS 80 HG CYS 80 -0.088 7.896 1.603 607 H GLU 81 H GLU 81 -3.269 10.175 3.383 608 HA GLU 81 HA GLU 81 -3.889 12.760 2.292 609 HB2 GLU 81 1HB GLU 81 -4.718 11.557 4.509 610 HB3 GLU 81 2HB GLU 81 -3.326 12.383 5.195 611 HG2 GLU 81 1HG GLU 81 -4.263 14.506 4.182 612 HG3 GLU 81 2HG GLU 81 -5.740 13.591 3.886 613 H VAL 82 H VAL 82 -2.332 14.025 1.525 614 HA VAL 82 HA VAL 82 0.318 13.974 2.777 615 HB VAL 82 HB VAL 82 -0.104 13.771 0.217 616 HG11 VAL 82 1HG1 VAL 82 0.265 16.611 -0.131 617 HG12 VAL 82 2HG1 VAL 82 -0.900 15.527 -0.894 618 HG13 VAL 82 3HG1 VAL 82 -1.269 16.264 0.665 619 HG21 VAL 82 3HG2 VAL 82 1.950 15.786 0.438 620 HG22 VAL 82 1HG2 VAL 82 2.032 14.645 1.780 621 HG23 VAL 82 2HG2 VAL 82 2.102 14.058 0.118 622 H GLU 83 H GLU 83 1.410 16.301 2.466 623 HA GLU 83 HA GLU 83 0.742 17.944 4.443 624 HB2 GLU 83 1HB GLU 83 1.498 19.895 2.900 625 HB3 GLU 83 2HB GLU 83 2.635 18.610 3.282 626 HG2 GLU 83 1HG GLU 83 2.983 18.596 1.073 627 HG3 GLU 83 2HG GLU 83 1.519 17.615 1.040 628 H ALA 84 H ALA 84 -0.518 18.531 1.155 629 HA ALA 84 HA ALA 84 -2.919 19.707 2.395 630 HB1 ALA 84 3HB ALA 84 -1.253 20.728 0.130 631 HB2 ALA 84 1HB ALA 84 -2.966 21.136 0.238 632 HB3 ALA 84 2HB ALA 84 -1.867 21.587 1.543 633 H SER 85 H SER 85 -1.572 18.073 -0.442 634 HA SER 85 HA SER 85 -4.132 17.548 -1.614 635 HB2 SER 85 1HB SER 85 -1.306 16.905 -2.240 636 HB3 SER 85 2HB SER 85 -2.516 15.783 -2.864 637 HG SER 85 HG SER 85 -2.202 18.534 -3.398 638 H LYS 86 H LYS 86 -4.377 15.052 -2.317 639 HA LYS 86 HA LYS 86 -3.716 13.062 -0.443 640 HB2 LYS 86 1HB LYS 86 -5.120 13.916 1.185 641 HB3 LYS 86 2HB LYS 86 -6.267 14.549 0.012 642 HG2 LYS 86 1HG LYS 86 -6.896 12.169 -0.499 643 HG3 LYS 86 2HG LYS 86 -5.922 11.697 0.896 644 HD2 LYS 86 1HD LYS 86 -7.954 11.895 1.914 645 HD3 LYS 86 2HD LYS 86 -7.390 13.560 2.081 646 HE2 LYS 86 1HE LYS 86 -9.560 13.796 1.271 647 HE3 LYS 86 2HE LYS 86 -8.562 13.960 -0.172 648 HZ1 LYS 86 3HZ LYS 86 -8.970 11.539 -0.557 649 HZ2 LYS 86 1HZ LYS 86 -10.340 12.521 -0.709 650 HZ3 LYS 86 2HZ LYS 86 -10.119 11.588 0.684 651 H SER 87 H SER 87 -4.359 11.029 -1.116 652 HA SER 87 HA SER 87 -5.905 10.961 -3.625 653 HB2 SER 87 1HB SER 87 -3.613 10.381 -4.090 654 HB3 SER 87 2HB SER 87 -3.578 9.239 -2.746 655 HG SER 87 HG SER 87 -4.266 7.810 -4.108 656 H THR 88 H THR 88 -6.601 8.510 -4.009 657 HA THR 88 HA THR 88 -7.390 7.076 -1.656 658 HB THR 88 HB THR 88 -9.569 8.431 -3.257 659 HG1 THR 88 1HG THR 88 -8.475 8.899 -0.683 660 HG21 THR 88 3HG2 THR 88 -11.135 7.274 -1.999 661 HG22 THR 88 1HG2 THR 88 -9.983 6.900 -0.718 662 HG23 THR 88 2HG2 THR 88 -9.897 6.046 -2.259 663 H ALA 89 H ALA 89 -7.535 4.984 -2.156 664 HA ALA 89 HA ALA 89 -8.384 4.196 -4.845 665 HB1 ALA 89 3HB ALA 89 -5.963 2.919 -3.620 666 HB2 ALA 89 1HB ALA 89 -6.518 2.867 -5.293 667 HB3 ALA 89 2HB ALA 89 -5.834 4.354 -4.636 668 H SER 90 H SER 90 -8.254 1.583 -4.826 669 HA SER 90 HA SER 90 -9.241 0.550 -2.282 670 HB2 SER 90 1HB SER 90 -10.842 0.556 -4.846 671 HB3 SER 90 2HB SER 90 -11.209 -0.497 -3.480 672 HG SER 90 HG SER 90 -10.957 2.292 -3.144 673 H LEU 91 H LEU 91 -8.171 -1.262 -1.901 674 HA LEU 91 HA LEU 91 -6.832 -2.680 -4.022 675 HB2 LEU 91 1HB LEU 91 -5.566 -2.569 -2.082 676 HB3 LEU 91 2HB LEU 91 -6.947 -2.922 -1.045 677 HG LEU 91 HG LEU 91 -6.895 -5.269 -1.952 678 HD11 LEU 91 1HD1 LEU 91 -5.493 -4.537 -3.964 679 HD12 LEU 91 2HD1 LEU 91 -5.075 -6.060 -3.181 680 HD13 LEU 91 3HD1 LEU 91 -4.115 -4.614 -2.867 681 HD21 LEU 91 3HD2 LEU 91 -4.447 -5.522 -0.745 682 HD22 LEU 91 1HD2 LEU 91 -5.999 -5.439 0.089 683 HD23 LEU 91 2HD2 LEU 91 -5.028 -3.980 -0.115 684 H HIS 92 H HIS 92 -7.223 -4.768 -4.720 685 HA HIS 92 HA HIS 92 -9.743 -5.995 -3.817 686 HB2 HIS 92 1HB HIS 92 -8.741 -5.922 -6.671 687 HB3 HIS 92 2HB HIS 92 -10.243 -6.649 -6.108 688 HD1 HIS 92 1HD HIS 92 -12.136 -4.985 -5.339 689 HD2 HIS 92 2HD HIS 92 -8.844 -3.205 -7.143 690 HE1 HIS 92 1HE HIS 92 -12.870 -2.652 -5.925 691 HE2 HIS 92 2HE HIS 92 -10.890 -1.623 -7.092 692 H VAL 93 H VAL 93 -9.510 -8.010 -3.117 693 HA VAL 93 HA VAL 93 -7.229 -9.592 -4.107 694 HB VAL 93 HB VAL 93 -8.307 -9.547 -1.284 695 HG11 VAL 93 1HG1 VAL 93 -7.449 -11.765 -2.334 696 HG12 VAL 93 2HG1 VAL 93 -5.857 -11.028 -2.144 697 HG13 VAL 93 3HG1 VAL 93 -6.885 -11.283 -0.734 698 HG21 VAL 93 3HG2 VAL 93 -6.445 -7.871 -2.529 699 HG22 VAL 93 1HG2 VAL 93 -6.751 -8.035 -0.800 700 HG23 VAL 93 2HG2 VAL 93 -5.495 -9.004 -1.569 701 H GLU 94 H GLU 94 -7.970 -11.237 -5.265 702 HA GLU 94 HA GLU 94 -10.483 -12.528 -4.429 703 HB2 GLU 94 1HB GLU 94 -9.235 -12.421 -7.181 704 HB3 GLU 94 2HB GLU 94 -10.729 -13.252 -6.770 705 HG2 GLU 94 1HG GLU 94 -11.657 -11.043 -6.053 706 HG3 GLU 94 2HG GLU 94 -10.209 -10.292 -6.721 707 H GLU 95 H GLU 95 -10.442 -14.618 -3.875 708 HA GLU 95 HA GLU 95 -7.921 -15.977 -3.706 709 HB2 GLU 95 1HB GLU 95 -9.726 -16.137 -1.976 710 HB3 GLU 95 2HB GLU 95 -10.678 -17.067 -3.124 711 HG2 GLU 95 1HG GLU 95 -9.065 -18.832 -3.134 712 HG3 GLU 95 2HG GLU 95 -7.949 -17.879 -2.158 713 H LYS 96 H LYS 96 -7.375 -17.974 -4.665 714 HA LYS 96 HA LYS 96 -8.352 -18.250 -7.371 715 HB2 LYS 96 1HB LYS 96 -6.237 -19.799 -5.865 716 HB3 LYS 96 2HB LYS 96 -6.576 -19.958 -7.583 717 HG2 LYS 96 1HG LYS 96 -5.788 -17.338 -6.350 718 HG3 LYS 96 2HG LYS 96 -4.598 -18.514 -6.914 719 HD2 LYS 96 1HD LYS 96 -6.823 -17.571 -8.694 720 HD3 LYS 96 2HD LYS 96 -5.329 -16.645 -8.527 721 HE2 LYS 96 1HE LYS 96 -4.044 -18.297 -9.513 722 HE3 LYS 96 2HE LYS 96 -5.208 -19.567 -9.141 723 HZ1 LYS 96 3HZ LYS 96 -4.927 -18.307 -11.538 724 HZ2 LYS 96 1HZ LYS 96 -6.290 -17.559 -10.869 725 HZ3 LYS 96 2HZ LYS 96 -6.255 -19.239 -11.060 726 H ALA 97 H ALA 97 -10.507 -18.948 -6.940 727 HA ALA 97 HA ALA 97 -10.662 -21.795 -6.196 728 HB1 ALA 97 3HB ALA 97 -12.404 -19.518 -5.350 729 HB2 ALA 97 1HB ALA 97 -13.060 -21.153 -5.445 730 HB3 ALA 97 2HB ALA 97 -11.697 -20.809 -4.379 731 H SER 98 H SER 98 -11.300 -23.009 -7.840 732 HA SER 98 HA SER 98 -13.065 -21.810 -9.874 733 HB2 SER 98 1HB SER 98 -10.844 -22.248 -10.794 734 HB3 SER 98 2HB SER 98 -10.927 -23.922 -10.248 735 HG SER 98 HG SER 98 -11.667 -23.065 -12.554 736 H GLY 99 H GLY 99 -15.032 -22.517 -9.190 737 HA2 GLY 99 1HA GLY 99 -15.813 -25.157 -9.773 738 HA3 GLY 99 2HA GLY 99 -15.589 -25.011 -8.036 739 HA PRO 100 HA PRO 100 -19.838 -23.450 -9.517 740 HB2 PRO 100 1HB PRO 100 -21.341 -25.562 -8.709 741 HB3 PRO 100 2HB PRO 100 -20.644 -25.443 -10.329 742 HG2 PRO 100 1HG PRO 100 -19.654 -26.964 -7.947 743 HG3 PRO 100 2HG PRO 100 -19.736 -27.472 -9.644 744 HD2 PRO 100 1HD PRO 100 -17.442 -26.613 -8.490 745 HD3 PRO 100 2HD PRO 100 -17.807 -26.343 -10.206 746 H SER 101 H SER 101 -18.636 -25.100 -6.666 747 HA SER 101 HA SER 101 -20.598 -24.500 -4.812 748 HB2 SER 101 1HB SER 101 -18.395 -25.852 -4.548 749 HB3 SER 101 2HB SER 101 -17.685 -24.303 -4.093 750 HG SER 101 HG SER 101 -20.045 -25.245 -2.869 751 H SER 102 H SER 102 -17.797 -22.526 -5.754 752 HA SER 102 HA SER 102 -18.532 -20.339 -4.062 753 HB2 SER 102 1HB SER 102 -16.540 -20.579 -6.324 754 HB3 SER 102 2HB SER 102 -16.752 -19.113 -5.367 755 HG SER 102 HG SER 102 -15.088 -20.371 -4.503 756 H GLY 103 H GLY 103 -18.428 -20.676 -7.618 757 HA2 GLY 103 1HA GLY 103 -19.723 -19.724 -9.258 758 HA3 GLY 103 2HA GLY 103 -20.967 -19.521 -8.034 Start of MODEL 13 1 H1 GLY 1 H GLY 1 22.999 30.345 -1.826 2 HA2 GLY 1 1HA GLY 1 23.475 28.413 0.048 3 HA3 GLY 1 2HA GLY 1 22.810 29.991 0.443 4 H SER 2 H SER 2 20.317 29.994 -0.451 5 HA SER 2 HA SER 2 19.059 27.897 1.152 6 HB2 SER 2 1HB SER 2 18.198 30.618 0.219 7 HB3 SER 2 2HB SER 2 16.993 29.438 0.735 8 HG SER 2 HG SER 2 17.464 30.295 2.621 9 H SER 3 H SER 3 19.363 26.249 -0.467 10 HA SER 3 HA SER 3 17.321 26.395 -2.582 11 HB2 SER 3 1HB SER 3 20.161 25.402 -2.788 12 HB3 SER 3 2HB SER 3 18.914 24.898 -3.929 13 HG SER 3 HG SER 3 18.681 26.995 -4.594 14 H GLY 4 H GLY 4 15.829 25.210 -1.407 15 HA2 GLY 4 1HA GLY 4 15.785 22.467 -1.679 16 HA3 GLY 4 2HA GLY 4 16.482 22.761 -0.093 17 H SER 5 H SER 5 15.054 24.909 0.803 18 HA SER 5 HA SER 5 12.462 23.674 1.283 19 HB2 SER 5 1HB SER 5 12.246 25.290 3.105 20 HB3 SER 5 2HB SER 5 13.806 24.473 3.199 21 HG SER 5 HG SER 5 14.803 26.284 2.443 22 H SER 6 H SER 6 11.620 24.120 -0.849 23 HA SER 6 HA SER 6 10.027 26.456 -0.926 24 HB2 SER 6 1HB SER 6 12.586 26.474 -2.448 25 HB3 SER 6 2HB SER 6 11.159 27.124 -3.255 26 HG SER 6 HG SER 6 11.927 28.835 -2.182 27 H GLY 7 H GLY 7 8.212 25.621 -1.705 28 HA2 GLY 7 1HA GLY 7 7.222 24.965 -3.929 29 HA3 GLY 7 2HA GLY 7 8.411 23.670 -3.916 30 HA PRO 8 HA PRO 8 4.357 22.691 -1.491 31 HB2 PRO 8 1HB PRO 8 2.745 21.766 -3.469 32 HB3 PRO 8 2HB PRO 8 2.746 23.453 -2.941 33 HG2 PRO 8 1HG PRO 8 4.098 22.206 -5.304 34 HG3 PRO 8 2HG PRO 8 3.205 23.735 -5.203 35 HD2 PRO 8 1HD PRO 8 5.910 23.622 -5.168 36 HD3 PRO 8 2HD PRO 8 4.995 24.865 -4.291 37 H ALA 9 H ALA 9 3.837 20.590 -0.879 38 HA ALA 9 HA ALA 9 5.414 18.483 -2.200 39 HB1 ALA 9 3HB ALA 9 6.204 17.997 -0.187 40 HB2 ALA 9 1HB ALA 9 5.201 19.257 0.532 41 HB3 ALA 9 2HB ALA 9 4.569 17.620 0.356 42 H ALA 10 H ALA 10 2.751 19.351 -3.017 43 HA ALA 10 HA ALA 10 0.771 17.561 -2.090 44 HB1 ALA 10 3HB ALA 10 -0.341 19.172 -3.176 45 HB2 ALA 10 1HB ALA 10 1.029 19.543 -4.224 46 HB3 ALA 10 2HB ALA 10 -0.044 18.199 -4.617 47 H ILE 11 H ILE 11 -0.350 16.010 -3.667 48 HA ILE 11 HA ILE 11 1.697 14.183 -4.689 49 HB ILE 11 HB ILE 11 -1.240 13.655 -4.227 50 HG12 ILE 11 1HG1 ILE 11 0.993 12.611 -2.512 51 HG13 ILE 11 2HG1 ILE 11 0.312 14.205 -2.206 52 HG21 ILE 11 1HG2 ILE 11 0.588 11.394 -4.216 53 HG22 ILE 11 2HG2 ILE 11 -0.935 11.615 -5.075 54 HG23 ILE 11 3HG2 ILE 11 0.563 12.246 -5.759 55 HD11 ILE 11 3HD1 ILE 11 -1.504 11.856 -2.437 56 HD12 ILE 11 1HD1 ILE 11 -0.595 12.120 -0.949 57 HD13 ILE 11 2HD1 ILE 11 -1.710 13.357 -1.533 58 H ILE 12 H ILE 12 2.084 14.076 -6.791 59 HA ILE 12 HA ILE 12 0.158 15.221 -8.666 60 HB ILE 12 HB ILE 12 2.162 14.637 -10.289 61 HG12 ILE 12 1HG1 ILE 12 3.298 13.496 -8.234 62 HG13 ILE 12 2HG1 ILE 12 4.273 14.475 -9.326 63 HG21 ILE 12 1HG2 ILE 12 1.844 16.926 -8.394 64 HG22 ILE 12 2HG2 ILE 12 3.206 16.883 -9.511 65 HG23 ILE 12 3HG2 ILE 12 1.556 16.863 -10.132 66 HD11 ILE 12 3HD1 ILE 12 4.220 14.706 -6.615 67 HD12 ILE 12 1HD1 ILE 12 4.762 15.955 -7.735 68 HD13 ILE 12 2HD1 ILE 12 3.111 15.982 -7.116 69 H LYS 13 H LYS 13 1.774 12.187 -7.918 70 HA LYS 13 HA LYS 13 0.176 10.855 -10.000 71 HB2 LYS 13 1HB LYS 13 2.723 10.000 -8.618 72 HB3 LYS 13 2HB LYS 13 1.804 8.965 -9.703 73 HG2 LYS 13 1HG LYS 13 2.133 10.623 -11.504 74 HG3 LYS 13 2HG LYS 13 3.142 11.569 -10.406 75 HD2 LYS 13 1HD LYS 13 4.754 9.809 -10.260 76 HD3 LYS 13 2HD LYS 13 3.696 8.696 -11.130 77 HE2 LYS 13 1HE LYS 13 4.549 11.255 -12.416 78 HE3 LYS 13 2HE LYS 13 5.656 9.884 -12.376 79 HZ1 LYS 13 3HZ LYS 13 4.412 8.720 -13.834 80 HZ2 LYS 13 1HZ LYS 13 3.899 10.259 -14.314 81 HZ3 LYS 13 2HZ LYS 13 2.941 9.336 -13.269 82 HA PRO 14 HA PRO 14 -2.076 9.541 -6.286 83 HB2 PRO 14 1HB PRO 14 -4.327 8.860 -7.642 84 HB3 PRO 14 2HB PRO 14 -3.953 10.523 -7.174 85 HG2 PRO 14 1HG PRO 14 -3.573 9.168 -9.816 86 HG3 PRO 14 2HG PRO 14 -4.194 10.793 -9.471 87 HD2 PRO 14 1HD PRO 14 -1.649 10.348 -10.282 88 HD3 PRO 14 2HD PRO 14 -2.084 11.676 -9.187 89 H LEU 15 H LEU 15 -2.866 7.492 -5.585 90 HA LEU 15 HA LEU 15 -1.402 5.284 -6.547 91 HB2 LEU 15 1HB LEU 15 -3.873 5.198 -4.827 92 HB3 LEU 15 2HB LEU 15 -2.609 3.975 -4.939 93 HG LEU 15 HG LEU 15 -2.066 6.745 -3.904 94 HD11 LEU 15 1HD1 LEU 15 -2.189 4.865 -1.790 95 HD12 LEU 15 2HD1 LEU 15 -3.704 4.771 -2.686 96 HD13 LEU 15 3HD1 LEU 15 -3.163 6.316 -2.030 97 HD21 LEU 15 3HD2 LEU 15 -0.590 4.414 -2.913 98 HD22 LEU 15 1HD2 LEU 15 -0.005 5.994 -3.435 99 HD23 LEU 15 2HD2 LEU 15 -0.368 4.749 -4.631 100 H GLU 16 H GLU 16 -2.680 3.116 -6.941 101 HA GLU 16 HA GLU 16 -4.922 3.560 -8.770 102 HB2 GLU 16 1HB GLU 16 -2.434 1.999 -9.485 103 HB3 GLU 16 2HB GLU 16 -3.897 2.074 -10.456 104 HG2 GLU 16 1HG GLU 16 -2.639 3.646 -11.509 105 HG3 GLU 16 2HG GLU 16 -3.463 4.660 -10.326 106 H ASP 17 H ASP 17 -6.391 1.910 -8.848 107 HA ASP 17 HA ASP 17 -6.684 0.210 -6.698 108 HB2 ASP 17 1HB ASP 17 -7.771 -0.036 -9.506 109 HB3 ASP 17 2HB ASP 17 -8.289 -1.062 -8.172 110 H GLN 18 H GLN 18 -5.524 -1.465 -6.045 111 HA GLN 18 HA GLN 18 -3.841 -2.893 -7.950 112 HB2 GLN 18 1HB GLN 18 -3.986 -2.920 -4.935 113 HB3 GLN 18 2HB GLN 18 -2.934 -3.984 -5.859 114 HG2 GLN 18 1HG GLN 18 -2.849 -0.975 -5.870 115 HG3 GLN 18 2HG GLN 18 -1.732 -2.044 -5.022 116 HE21 GLN 18 1HE2 GLN 18 -1.186 -0.054 -7.067 117 HE22 GLN 18 2HE2 GLN 18 -0.417 -0.892 -8.367 118 H TRP 19 H TRP 19 -3.960 -5.086 -8.343 119 HA TRP 19 HA TRP 19 -6.313 -6.480 -7.252 120 HB2 TRP 19 1HB TRP 19 -5.395 -6.225 -10.095 121 HB3 TRP 19 2HB TRP 19 -6.269 -7.667 -9.584 122 HD1 TRP 19 HD TRP 19 -8.839 -7.323 -8.797 123 HE1 TRP 19 1HE TRP 19 -10.552 -5.497 -9.394 124 HE3 TRP 19 3HE TRP 19 -5.642 -3.778 -10.628 125 HZ2 TRP 19 2HZ TRP 19 -10.549 -2.898 -10.497 126 HZ3 TRP 19 3HZ TRP 19 -6.578 -1.650 -11.435 127 HH2 TRP 19 HH TRP 19 -8.981 -1.222 -11.370 128 H VAL 20 H VAL 20 -5.520 -7.996 -5.940 129 HA VAL 20 HA VAL 20 -3.487 -9.821 -7.010 130 HB VAL 20 HB VAL 20 -2.252 -9.876 -4.952 131 HG11 VAL 20 1HG1 VAL 20 -1.066 -7.976 -5.296 132 HG12 VAL 20 2HG1 VAL 20 -2.125 -7.856 -6.703 133 HG13 VAL 20 3HG1 VAL 20 -2.493 -6.943 -5.239 134 HG21 VAL 20 3HG2 VAL 20 -3.014 -7.882 -3.304 135 HG22 VAL 20 1HG2 VAL 20 -4.582 -8.390 -3.931 136 HG23 VAL 20 2HG2 VAL 20 -3.536 -9.557 -3.122 137 H ALA 21 H ALA 21 -3.223 -11.631 -5.112 138 HA ALA 21 HA ALA 21 -5.961 -12.623 -4.690 139 HB1 ALA 21 3HB ALA 21 -3.720 -13.833 -5.862 140 HB2 ALA 21 1HB ALA 21 -3.959 -14.643 -4.313 141 HB3 ALA 21 2HB ALA 21 -5.274 -14.577 -5.487 142 HA PRO 22 HA PRO 22 -5.568 -12.689 -0.321 143 HB2 PRO 22 1HB PRO 22 -6.632 -15.092 0.362 144 HB3 PRO 22 2HB PRO 22 -7.608 -13.742 -0.231 145 HG2 PRO 22 1HG PRO 22 -6.586 -16.135 -1.712 146 HG3 PRO 22 2HG PRO 22 -8.186 -15.373 -1.784 147 HD2 PRO 22 1HD PRO 22 -6.284 -14.949 -3.665 148 HD3 PRO 22 2HD PRO 22 -7.467 -13.708 -3.206 149 H GLY 23 H GLY 23 -3.210 -12.749 -0.360 150 HA2 GLY 23 1HA GLY 23 -1.904 -14.250 1.355 151 HA3 GLY 23 2HA GLY 23 -2.001 -15.389 0.020 152 H GLU 24 H GLU 24 -1.867 -12.594 -1.548 153 HA GLU 24 HA GLU 24 1.036 -12.769 -1.863 154 HB2 GLU 24 1HB GLU 24 -0.987 -11.307 -3.569 155 HB3 GLU 24 2HB GLU 24 0.711 -11.555 -3.950 156 HG2 GLU 24 1HG GLU 24 -0.992 -13.938 -3.455 157 HG3 GLU 24 2HG GLU 24 -1.166 -13.074 -4.981 158 H ASP 25 H ASP 25 2.095 -10.588 -2.445 159 HA ASP 25 HA ASP 25 1.453 -8.734 -0.277 160 HB2 ASP 25 1HB ASP 25 3.693 -7.776 -0.740 161 HB3 ASP 25 2HB ASP 25 3.756 -9.497 -0.370 162 H VAL 26 H VAL 26 1.751 -6.375 -0.739 163 HA VAL 26 HA VAL 26 1.008 -5.625 -3.473 164 HB VAL 26 HB VAL 26 -0.503 -4.752 -1.008 165 HG11 VAL 26 1HG1 VAL 26 -0.732 -2.850 -2.197 166 HG12 VAL 26 2HG1 VAL 26 -0.295 -3.624 -3.721 167 HG13 VAL 26 3HG1 VAL 26 -1.931 -3.790 -3.084 168 HG21 VAL 26 3HG2 VAL 26 -1.480 -6.276 -3.419 169 HG22 VAL 26 1HG2 VAL 26 -1.044 -7.018 -1.880 170 HG23 VAL 26 2HG2 VAL 26 -2.394 -5.886 -1.962 171 H GLU 27 H GLU 27 1.621 -3.556 -4.089 172 HA GLU 27 HA GLU 27 3.075 -1.947 -2.112 173 HB2 GLU 27 1HB GLU 27 4.115 -2.604 -4.874 174 HB3 GLU 27 2HB GLU 27 4.896 -1.560 -3.695 175 HG2 GLU 27 1HG GLU 27 5.378 -3.372 -2.264 176 HG3 GLU 27 2HG GLU 27 4.312 -4.454 -3.157 177 H LEU 28 H LEU 28 2.217 0.012 -2.072 178 HA LEU 28 HA LEU 28 1.033 1.088 -4.544 179 HB2 LEU 28 1HB LEU 28 0.426 1.884 -1.702 180 HB3 LEU 28 2HB LEU 28 -0.403 2.441 -3.154 181 HG LEU 28 HG LEU 28 -0.413 -0.475 -2.548 182 HD11 LEU 28 1HD1 LEU 28 -2.155 -0.337 -0.985 183 HD12 LEU 28 2HD1 LEU 28 -2.392 1.387 -1.271 184 HD13 LEU 28 3HD1 LEU 28 -0.950 0.823 -0.426 185 HD21 LEU 28 3HD2 LEU 28 -2.676 1.235 -3.509 186 HD22 LEU 28 1HD2 LEU 28 -2.378 -0.482 -3.785 187 HD23 LEU 28 2HD2 LEU 28 -1.394 0.728 -4.610 188 H ARG 29 H ARG 29 2.703 2.195 -5.446 189 HA ARG 29 HA ARG 29 4.285 4.007 -3.797 190 HB2 ARG 29 1HB ARG 29 4.512 3.019 -6.627 191 HB3 ARG 29 2HB ARG 29 5.447 4.401 -6.072 192 HG2 ARG 29 1HG ARG 29 6.778 3.137 -4.717 193 HG3 ARG 29 2HG ARG 29 5.541 1.904 -4.467 194 HD2 ARG 29 1HD ARG 29 7.110 2.352 -7.004 195 HD3 ARG 29 2HD ARG 29 7.386 1.062 -5.835 196 HE ARG 29 HE ARG 29 4.708 1.088 -6.844 197 HH11 ARG 29 2HH1 ARG 29 7.967 0.052 -7.495 198 HH12 ARG 29 1HH1 ARG 29 7.485 -1.255 -8.525 199 HH21 ARG 29 2HH2 ARG 29 4.060 -0.629 -8.199 200 HH22 ARG 29 1HH2 ARG 29 5.263 -1.640 -8.926 201 H CYS 30 H CYS 30 4.444 6.234 -4.183 202 HA CYS 30 HA CYS 30 2.453 7.411 -5.984 203 HB2 CYS 30 1HB CYS 30 1.430 8.707 -4.366 204 HB3 CYS 30 2HB CYS 30 1.741 7.229 -3.464 205 HG CYS 30 HG CYS 30 2.707 8.617 -1.525 206 H GLU 31 H GLU 31 2.786 9.997 -5.710 207 HA GLU 31 HA GLU 31 5.665 10.557 -5.720 208 HB2 GLU 31 1HB GLU 31 4.765 10.124 -8.060 209 HB3 GLU 31 2HB GLU 31 3.822 11.595 -7.869 210 HG2 GLU 31 1HG GLU 31 5.758 12.938 -7.745 211 HG3 GLU 31 2HG GLU 31 6.806 11.534 -7.552 212 H LEU 32 H LEU 32 6.223 12.740 -5.327 213 HA LEU 32 HA LEU 32 4.032 14.491 -4.461 214 HB2 LEU 32 1HB LEU 32 6.563 14.282 -2.872 215 HB3 LEU 32 2HB LEU 32 5.015 14.979 -2.400 216 HG LEU 32 HG LEU 32 5.308 12.032 -2.884 217 HD11 LEU 32 1HD1 LEU 32 6.754 13.427 -0.954 218 HD12 LEU 32 2HD1 LEU 32 6.442 11.692 -1.008 219 HD13 LEU 32 3HD1 LEU 32 5.368 12.752 -0.096 220 HD21 LEU 32 3HD2 LEU 32 3.099 13.472 -2.546 221 HD22 LEU 32 1HD2 LEU 32 3.524 13.244 -0.850 222 HD23 LEU 32 2HD2 LEU 32 3.272 11.843 -1.891 223 H SER 33 H SER 33 4.341 16.649 -4.821 224 HA SER 33 HA SER 33 6.117 17.441 -6.829 225 HB2 SER 33 1HB SER 33 4.097 18.697 -6.457 226 HB3 SER 33 2HB SER 33 4.579 19.081 -4.805 227 HG SER 33 HG SER 33 6.094 20.464 -5.556 228 H ARG 34 H ARG 34 6.515 17.231 -3.402 229 HA ARG 34 HA ARG 34 9.300 18.025 -3.678 230 HB2 ARG 34 1HB ARG 34 8.419 20.134 -3.069 231 HB3 ARG 34 2HB ARG 34 7.322 19.424 -1.891 232 HG2 ARG 34 1HG ARG 34 10.237 19.057 -1.473 233 HG3 ARG 34 2HG ARG 34 9.542 20.652 -1.171 234 HD2 ARG 34 1HD ARG 34 8.286 18.188 -0.020 235 HD3 ARG 34 2HD ARG 34 9.669 18.945 0.769 236 HE ARG 34 HE ARG 34 6.969 19.915 0.704 237 HH11 ARG 34 2HH1 ARG 34 10.317 20.813 1.030 238 HH12 ARG 34 1HH1 ARG 34 9.976 22.268 1.907 239 HH21 ARG 34 2HH2 ARG 34 6.508 21.828 1.858 240 HH22 ARG 34 1HH2 ARG 34 7.809 22.844 2.378 241 H ALA 35 H ALA 35 10.655 17.012 -2.250 242 HA ALA 35 HA ALA 35 9.484 14.829 -0.726 243 HB1 ALA 35 3HB ALA 35 12.416 15.408 -1.022 244 HB2 ALA 35 1HB ALA 35 11.629 13.870 -0.670 245 HB3 ALA 35 2HB ALA 35 11.485 14.588 -2.275 246 H GLY 36 H GLY 36 9.485 14.642 1.458 247 HA2 GLY 36 1HA GLY 36 10.849 15.369 3.503 248 HA3 GLY 36 2HA GLY 36 10.443 16.990 2.960 249 H THR 37 H THR 37 7.767 16.368 2.121 250 HA THR 37 HA THR 37 6.443 16.684 4.626 251 HB THR 37 HB THR 37 5.390 16.357 1.817 252 HG1 THR 37 1HG THR 37 6.374 18.359 2.275 253 HG21 THR 37 3HG2 THR 37 3.990 15.987 4.285 254 HG22 THR 37 1HG2 THR 37 3.365 15.923 2.637 255 HG23 THR 37 2HG2 THR 37 3.410 17.458 3.504 256 HA PRO 38 HA PRO 38 5.834 12.386 5.527 257 HB2 PRO 38 1HB PRO 38 4.108 12.732 7.594 258 HB3 PRO 38 2HB PRO 38 5.847 13.015 7.737 259 HG2 PRO 38 1HG PRO 38 3.634 14.989 7.324 260 HG3 PRO 38 2HG PRO 38 5.042 15.094 8.397 261 HD2 PRO 38 1HD PRO 38 4.936 16.356 6.004 262 HD3 PRO 38 2HD PRO 38 6.452 15.738 6.691 263 H VAL 39 H VAL 39 4.351 10.823 5.039 264 HA VAL 39 HA VAL 39 1.874 11.740 3.767 265 HB VAL 39 HB VAL 39 3.555 10.199 2.585 266 HG11 VAL 39 1HG1 VAL 39 3.658 7.949 3.114 267 HG12 VAL 39 2HG1 VAL 39 3.614 8.705 4.708 268 HG13 VAL 39 3HG1 VAL 39 2.151 7.989 4.029 269 HG21 VAL 39 3HG2 VAL 39 0.655 9.385 2.764 270 HG22 VAL 39 1HG2 VAL 39 1.315 10.658 1.738 271 HG23 VAL 39 2HG2 VAL 39 1.760 8.976 1.452 272 H HIS 40 H HIS 40 -0.114 10.590 4.136 273 HA HIS 40 HA HIS 40 -0.240 9.309 6.787 274 HB2 HIS 40 1HB HIS 40 -1.309 11.708 6.304 275 HB3 HIS 40 2HB HIS 40 -2.636 10.712 5.713 276 HD1 HIS 40 1HD HIS 40 -4.117 11.552 7.687 277 HD2 HIS 40 2HD HIS 40 -0.742 9.421 8.842 278 HE1 HIS 40 1HE HIS 40 -4.476 10.984 10.110 279 HE2 HIS 40 2HE HIS 40 -2.384 9.769 10.810 280 H TRP 41 H TRP 41 -0.371 7.193 6.270 281 HA TRP 41 HA TRP 41 -2.082 6.313 4.092 282 HB2 TRP 41 1HB TRP 41 -0.249 4.817 5.973 283 HB3 TRP 41 2HB TRP 41 -1.222 4.034 4.732 284 HD1 TRP 41 HD TRP 41 1.977 5.981 5.225 285 HE1 TRP 41 1HE TRP 41 3.251 6.106 2.993 286 HE3 TRP 41 3HE TRP 41 -1.646 4.148 2.118 287 HZ2 TRP 41 2HZ TRP 41 2.783 5.508 0.274 288 HZ3 TRP 41 3HZ TRP 41 -1.153 3.957 -0.285 289 HH2 TRP 41 HH TRP 41 1.016 4.624 -1.186 290 H LEU 42 H LEU 42 -4.197 6.374 4.579 291 HA LEU 42 HA LEU 42 -5.073 5.328 7.180 292 HB2 LEU 42 1HB LEU 42 -6.655 6.901 5.154 293 HB3 LEU 42 2HB LEU 42 -7.166 6.469 6.785 294 HG LEU 42 HG LEU 42 -4.711 8.122 6.476 295 HD11 LEU 42 1HD1 LEU 42 -6.401 10.112 6.634 296 HD12 LEU 42 2HD1 LEU 42 -7.480 8.994 5.801 297 HD13 LEU 42 3HD1 LEU 42 -5.943 9.447 5.065 298 HD21 LEU 42 3HD2 LEU 42 -5.871 9.196 8.508 299 HD22 LEU 42 1HD2 LEU 42 -5.182 7.583 8.690 300 HD23 LEU 42 2HD2 LEU 42 -6.922 7.779 8.471 301 H LYS 43 H LYS 43 -6.154 3.465 7.323 302 HA LYS 43 HA LYS 43 -7.020 2.184 4.815 303 HB2 LYS 43 1HB LYS 43 -5.269 0.879 5.738 304 HB3 LYS 43 2HB LYS 43 -5.920 1.019 7.366 305 HG2 LYS 43 1HG LYS 43 -6.324 -1.195 6.551 306 HG3 LYS 43 2HG LYS 43 -7.864 -0.339 6.662 307 HD2 LYS 43 1HD LYS 43 -8.072 -0.152 4.362 308 HD3 LYS 43 2HD LYS 43 -6.339 -0.350 4.088 309 HE2 LYS 43 1HE LYS 43 -7.304 -2.366 3.370 310 HE3 LYS 43 2HE LYS 43 -6.636 -2.722 4.962 311 HZ1 LYS 43 3HZ LYS 43 -9.110 -1.968 5.604 312 HZ2 LYS 43 1HZ LYS 43 -8.669 -3.575 5.306 313 HZ3 LYS 43 2HZ LYS 43 -9.398 -2.658 4.086 314 H ASP 44 H ASP 44 -9.151 2.509 4.630 315 HA ASP 44 HA ASP 44 -11.381 2.503 5.083 316 HB2 ASP 44 1HB ASP 44 -10.303 0.300 6.778 317 HB3 ASP 44 2HB ASP 44 -11.968 0.807 7.047 318 H ARG 45 H ARG 45 -10.053 4.619 6.195 319 HA ARG 45 HA ARG 45 -10.414 6.331 7.655 320 HB2 ARG 45 1HB ARG 45 -12.617 4.651 8.855 321 HB3 ARG 45 2HB ARG 45 -12.425 6.395 8.964 322 HG2 ARG 45 1HG ARG 45 -12.677 5.187 6.264 323 HG3 ARG 45 2HG ARG 45 -14.118 5.279 7.279 324 HD2 ARG 45 1HD ARG 45 -12.389 7.690 6.957 325 HD3 ARG 45 2HD ARG 45 -13.500 7.243 5.663 326 HE ARG 45 HE ARG 45 -14.861 7.265 8.134 327 HH11 ARG 45 2HH1 ARG 45 -13.456 9.416 5.783 328 HH12 ARG 45 1HH1 ARG 45 -14.525 10.729 6.153 329 HH21 ARG 45 2HH2 ARG 45 -16.273 8.986 8.630 330 HH22 ARG 45 1HH2 ARG 45 -16.126 10.483 7.773 331 H LYS 46 H LYS 46 -8.409 4.548 8.229 332 HA LYS 46 HA LYS 46 -8.277 4.789 11.127 333 HB2 LYS 46 1HB LYS 46 -7.869 2.168 9.676 334 HB3 LYS 46 2HB LYS 46 -7.417 2.455 11.351 335 HG2 LYS 46 1HG LYS 46 -10.227 2.814 10.356 336 HG3 LYS 46 2HG LYS 46 -9.613 1.270 10.951 337 HD2 LYS 46 1HD LYS 46 -9.293 3.733 12.614 338 HD3 LYS 46 2HD LYS 46 -10.849 2.901 12.573 339 HE2 LYS 46 1HE LYS 46 -9.544 0.783 13.119 340 HE3 LYS 46 2HE LYS 46 -8.186 1.845 13.489 341 HZ1 LYS 46 3HZ LYS 46 -10.764 2.437 14.739 342 HZ2 LYS 46 1HZ LYS 46 -9.197 2.650 15.341 343 HZ3 LYS 46 2HZ LYS 46 -9.893 1.109 15.324 344 H ALA 47 H ALA 47 -6.358 5.565 11.713 345 HA ALA 47 HA ALA 47 -4.342 6.167 9.845 346 HB1 ALA 47 3HB ALA 47 -4.695 7.455 11.897 347 HB2 ALA 47 1HB ALA 47 -4.142 6.080 12.853 348 HB3 ALA 47 2HB ALA 47 -3.027 6.900 11.758 349 H ILE 48 H ILE 48 -3.105 4.716 8.854 350 HA ILE 48 HA ILE 48 -2.576 2.123 9.906 351 HB ILE 48 HB ILE 48 -1.269 3.555 7.590 352 HG12 ILE 48 1HG1 ILE 48 -3.445 1.459 7.534 353 HG13 ILE 48 2HG1 ILE 48 -3.768 3.188 7.468 354 HG21 ILE 48 1HG2 ILE 48 0.078 1.698 8.487 355 HG22 ILE 48 2HG2 ILE 48 -1.294 0.615 8.258 356 HG23 ILE 48 3HG2 ILE 48 -0.524 1.370 6.862 357 HD11 ILE 48 3HD1 ILE 48 -3.445 1.589 5.311 358 HD12 ILE 48 1HD1 ILE 48 -3.184 3.333 5.316 359 HD13 ILE 48 2HD1 ILE 48 -1.816 2.235 5.505 360 H ARG 49 H ARG 49 -0.664 1.254 10.691 361 HA ARG 49 HA ARG 49 1.378 3.216 11.509 362 HB2 ARG 49 1HB ARG 49 0.174 0.908 13.013 363 HB3 ARG 49 2HB ARG 49 1.762 1.534 13.435 364 HG2 ARG 49 1HG ARG 49 0.596 3.818 13.584 365 HG3 ARG 49 2HG ARG 49 -0.901 2.884 13.624 366 HD2 ARG 49 1HD ARG 49 0.263 1.549 15.508 367 HD3 ARG 49 2HD ARG 49 1.353 2.933 15.597 368 HE ARG 49 HE ARG 49 -0.287 4.050 16.708 369 HH11 ARG 49 2HH1 ARG 49 -1.769 1.539 14.806 370 HH12 ARG 49 1HH1 ARG 49 -3.367 1.855 15.396 371 HH21 ARG 49 2HH2 ARG 49 -2.386 4.477 17.491 372 HH22 ARG 49 1HH2 ARG 49 -3.717 3.527 16.922 373 H LYS 50 H LYS 50 3.369 2.840 10.798 374 HA LYS 50 HA LYS 50 4.014 0.775 9.039 375 HB2 LYS 50 1HB LYS 50 5.250 2.895 9.156 376 HB3 LYS 50 2HB LYS 50 5.882 2.444 10.734 377 HG2 LYS 50 1HG LYS 50 7.103 0.602 9.761 378 HG3 LYS 50 2HG LYS 50 6.402 0.941 8.177 379 HD2 LYS 50 1HD LYS 50 8.406 2.018 7.953 380 HD3 LYS 50 2HD LYS 50 7.437 3.332 8.626 381 HE2 LYS 50 1HE LYS 50 8.859 1.506 10.498 382 HE3 LYS 50 2HE LYS 50 9.802 2.709 9.620 383 HZ1 LYS 50 3HZ LYS 50 8.064 3.058 11.849 384 HZ2 LYS 50 1HZ LYS 50 7.622 4.072 10.569 385 HZ3 LYS 50 2HZ LYS 50 9.194 4.132 11.191 386 H SER 51 H SER 51 4.087 -1.322 9.485 387 HA SER 51 HA SER 51 5.721 -2.255 11.699 388 HB2 SER 51 1HB SER 51 3.343 -1.990 12.556 389 HB3 SER 51 2HB SER 51 2.887 -3.270 11.432 390 HG SER 51 HG SER 51 3.579 -4.629 12.860 391 H GLN 52 H GLN 52 5.909 -4.694 11.644 392 HA GLN 52 HA GLN 52 7.049 -5.655 9.431 393 HB2 GLN 52 1HB GLN 52 6.820 -6.884 11.589 394 HB3 GLN 52 2HB GLN 52 5.184 -7.329 11.121 395 HG2 GLN 52 1HG GLN 52 6.079 -8.515 9.171 396 HG3 GLN 52 2HG GLN 52 7.713 -8.095 9.680 397 HE21 GLN 52 1HE2 GLN 52 5.702 -10.567 9.557 398 HE22 GLN 52 2HE2 GLN 52 6.153 -11.439 10.979 399 H LYS 53 H LYS 53 3.580 -5.460 9.955 400 HA LYS 53 HA LYS 53 2.897 -6.882 7.559 401 HB2 LYS 53 1HB LYS 53 1.212 -7.011 9.147 402 HB3 LYS 53 2HB LYS 53 1.388 -5.327 9.623 403 HG2 LYS 53 1HG LYS 53 -0.685 -5.542 8.489 404 HG3 LYS 53 2HG LYS 53 0.419 -4.683 7.412 405 HD2 LYS 53 1HD LYS 53 -0.515 -6.212 5.966 406 HD3 LYS 53 2HD LYS 53 0.922 -7.086 6.501 407 HE2 LYS 53 1HE LYS 53 -0.748 -8.680 6.700 408 HE3 LYS 53 2HE LYS 53 -0.632 -8.035 8.337 409 HZ1 LYS 53 3HZ LYS 53 -2.737 -7.610 6.324 410 HZ2 LYS 53 1HZ LYS 53 -2.480 -6.448 7.527 411 HZ3 LYS 53 2HZ LYS 53 -2.887 -8.033 7.955 412 H TYR 54 H TYR 54 2.583 -3.461 8.528 413 HA TYR 54 HA TYR 54 2.410 -2.735 5.692 414 HB2 TYR 54 1HB TYR 54 1.781 -1.138 8.182 415 HB3 TYR 54 2HB TYR 54 1.640 -0.526 6.538 416 HD1 TYR 54 2HD TYR 54 0.291 -2.438 5.004 417 HD2 TYR 54 1HD TYR 54 -0.263 -1.583 9.135 418 HE1 TYR 54 2HE TYR 54 -2.004 -3.313 4.871 419 HE2 TYR 54 1HE TYR 54 -2.560 -2.457 9.014 420 HH TYR 54 HH TYR 54 -4.326 -2.696 6.848 421 H ASP 55 H ASP 55 4.306 -2.304 4.784 422 HA ASP 55 HA ASP 55 6.373 -0.952 6.380 423 HB2 ASP 55 1HB ASP 55 6.977 -2.148 3.713 424 HB3 ASP 55 2HB ASP 55 7.997 -2.024 5.145 425 H VAL 56 H VAL 56 5.862 1.184 6.153 426 HA VAL 56 HA VAL 56 5.329 2.275 3.508 427 HB VAL 56 HB VAL 56 3.937 3.229 5.144 428 HG11 VAL 56 1HG1 VAL 56 6.413 3.327 6.817 429 HG12 VAL 56 2HG1 VAL 56 5.063 4.408 7.167 430 HG13 VAL 56 3HG1 VAL 56 4.827 2.660 7.202 431 HG21 VAL 56 3HG2 VAL 56 4.925 4.866 3.599 432 HG22 VAL 56 1HG2 VAL 56 4.544 5.582 5.165 433 HG23 VAL 56 2HG2 VAL 56 6.212 5.175 4.764 434 H VAL 57 H VAL 57 6.902 2.973 2.234 435 HA VAL 57 HA VAL 57 9.476 3.730 3.442 436 HB VAL 57 HB VAL 57 8.915 2.908 0.589 437 HG11 VAL 57 1HG1 VAL 57 11.182 4.159 1.873 438 HG12 VAL 57 2HG1 VAL 57 11.620 2.605 1.161 439 HG13 VAL 57 3HG1 VAL 57 10.882 3.858 0.162 440 HG21 VAL 57 3HG2 VAL 57 10.216 0.859 1.247 441 HG22 VAL 57 1HG2 VAL 57 10.047 1.379 2.924 442 HG23 VAL 57 2HG2 VAL 57 8.614 0.993 1.970 443 H CYS 58 H CYS 58 10.345 5.707 3.096 444 HA CYS 58 HA CYS 58 8.881 7.541 1.315 445 HB2 CYS 58 1HB CYS 58 8.316 8.126 3.589 446 HB3 CYS 58 2HB CYS 58 10.011 8.111 4.060 447 HG CYS 58 HG CYS 58 8.920 10.296 1.687 448 H GLU 59 H GLU 59 10.220 7.748 -0.379 449 HA GLU 59 HA GLU 59 13.020 8.475 0.185 450 HB2 GLU 59 1HB GLU 59 11.856 6.655 -1.885 451 HB3 GLU 59 2HB GLU 59 13.333 7.535 -2.250 452 HG2 GLU 59 1HG GLU 59 14.295 6.569 -0.134 453 HG3 GLU 59 2HG GLU 59 12.876 5.526 -0.066 454 H GLY 60 H GLY 60 13.932 9.423 -2.086 455 HA2 GLY 60 1HA GLY 60 13.189 11.997 -2.331 456 HA3 GLY 60 2HA GLY 60 13.786 11.077 -3.705 457 H THR 61 H THR 61 11.143 12.724 -2.364 458 HA THR 61 HA THR 61 8.900 12.835 -2.917 459 HB THR 61 HB THR 61 8.584 13.511 -5.279 460 HG1 THR 61 1HG THR 61 9.949 12.526 -6.586 461 HG21 THR 61 3HG2 THR 61 11.114 14.772 -4.259 462 HG22 THR 61 1HG2 THR 61 9.567 15.017 -3.449 463 HG23 THR 61 2HG2 THR 61 9.776 15.527 -5.124 464 H MET 62 H MET 62 9.480 10.176 -2.507 465 HA MET 62 HA MET 62 7.552 8.930 -4.271 466 HB2 MET 62 1HB MET 62 9.423 8.381 -5.578 467 HB3 MET 62 2HB MET 62 10.439 8.102 -4.171 468 HG2 MET 62 1HG MET 62 8.077 6.350 -4.530 469 HG3 MET 62 2HG MET 62 9.444 6.126 -5.619 470 HE1 MET 62 3HE MET 62 8.996 4.025 -1.844 471 HE2 MET 62 1HE MET 62 7.935 5.389 -2.198 472 HE3 MET 62 2HE MET 62 8.117 4.085 -3.372 473 H ALA 63 H ALA 63 6.167 8.102 -2.855 474 HA ALA 63 HA ALA 63 7.238 6.781 -0.447 475 HB1 ALA 63 3HB ALA 63 5.242 7.360 0.717 476 HB2 ALA 63 1HB ALA 63 5.831 8.820 -0.079 477 HB3 ALA 63 2HB ALA 63 4.472 7.928 -0.764 478 H MET 64 H MET 64 6.478 4.764 0.128 479 HA MET 64 HA MET 64 4.516 3.479 -1.625 480 HB2 MET 64 1HB MET 64 6.710 2.921 -2.560 481 HB3 MET 64 2HB MET 64 7.239 2.327 -0.992 482 HG2 MET 64 1HG MET 64 5.610 0.545 -1.078 483 HG3 MET 64 2HG MET 64 4.974 1.169 -2.598 484 HE1 MET 64 3HE MET 64 9.154 -0.699 -2.064 485 HE2 MET 64 1HE MET 64 8.550 0.682 -1.148 486 HE3 MET 64 2HE MET 64 7.859 -0.919 -0.887 487 H LEU 65 H LEU 65 3.631 1.493 -0.730 488 HA LEU 65 HA LEU 65 4.080 1.108 2.137 489 HB2 LEU 65 1HB LEU 65 2.228 2.614 2.078 490 HB3 LEU 65 2HB LEU 65 1.424 1.661 0.833 491 HG LEU 65 HG LEU 65 1.460 -0.196 2.704 492 HD11 LEU 65 1HD1 LEU 65 1.383 2.316 4.363 493 HD12 LEU 65 2HD1 LEU 65 2.789 1.258 4.244 494 HD13 LEU 65 3HD1 LEU 65 1.281 0.647 4.925 495 HD21 LEU 65 3HD2 LEU 65 -0.686 1.249 3.590 496 HD22 LEU 65 1HD2 LEU 65 -0.673 0.210 2.165 497 HD23 LEU 65 2HD2 LEU 65 -0.400 1.944 1.994 498 H VAL 66 H VAL 66 4.626 -0.957 2.330 499 HA VAL 66 HA VAL 66 3.668 -2.935 0.435 500 HB VAL 66 HB VAL 66 5.514 -3.278 2.803 501 HG11 VAL 66 1HG1 VAL 66 5.106 -5.111 0.447 502 HG12 VAL 66 2HG1 VAL 66 6.079 -5.410 1.888 503 HG13 VAL 66 3HG1 VAL 66 4.321 -5.331 2.011 504 HG21 VAL 66 3HG2 VAL 66 6.991 -3.580 0.493 505 HG22 VAL 66 1HG2 VAL 66 5.930 -2.219 0.127 506 HG23 VAL 66 2HG2 VAL 66 6.982 -2.162 1.542 507 H ILE 67 H ILE 67 2.466 -4.766 0.961 508 HA ILE 67 HA ILE 67 1.189 -4.763 3.613 509 HB ILE 67 HB ILE 67 -0.217 -5.252 0.985 510 HG12 ILE 67 1HG1 ILE 67 -0.990 -3.101 2.905 511 HG13 ILE 67 2HG1 ILE 67 0.418 -2.835 1.882 512 HG21 ILE 67 1HG2 ILE 67 -1.944 -6.130 2.098 513 HG22 ILE 67 2HG2 ILE 67 -0.806 -6.355 3.426 514 HG23 ILE 67 3HG2 ILE 67 -1.840 -4.928 3.384 515 HD11 ILE 67 3HD1 ILE 67 -1.834 -1.983 1.058 516 HD12 ILE 67 1HD1 ILE 67 -0.849 -2.909 -0.073 517 HD13 ILE 67 2HD1 ILE 67 -2.217 -3.674 0.735 518 H ARG 68 H ARG 68 2.533 -6.453 4.292 519 HA ARG 68 HA ARG 68 3.002 -8.827 2.877 520 HB2 ARG 68 1HB ARG 68 3.092 -8.117 5.796 521 HB3 ARG 68 2HB ARG 68 3.400 -9.762 5.256 522 HG2 ARG 68 1HG ARG 68 4.908 -7.442 4.110 523 HG3 ARG 68 2HG ARG 68 5.400 -8.210 5.620 524 HD2 ARG 68 1HD ARG 68 5.084 -9.575 2.949 525 HD3 ARG 68 2HD ARG 68 6.610 -9.147 3.721 526 HE ARG 68 HE ARG 68 5.170 -10.750 5.493 527 HH11 ARG 68 2HH1 ARG 68 6.714 -10.995 2.382 528 HH12 ARG 68 1HH1 ARG 68 7.077 -12.681 2.549 529 HH21 ARG 68 2HH2 ARG 68 5.642 -12.970 5.725 530 HH22 ARG 68 1HH2 ARG 68 6.466 -13.803 4.451 531 H GLY 69 H GLY 69 1.914 -10.717 2.682 532 HA2 GLY 69 1HA GLY 69 0.070 -12.090 2.599 533 HA3 GLY 69 2HA GLY 69 -0.003 -11.799 4.330 534 H ALA 70 H ALA 70 -1.031 -10.510 1.198 535 HA ALA 70 HA ALA 70 -3.074 -8.875 2.465 536 HB1 ALA 70 3HB ALA 70 -2.979 -9.176 -0.482 537 HB2 ALA 70 1HB ALA 70 -3.230 -7.737 0.506 538 HB3 ALA 70 2HB ALA 70 -1.606 -8.393 0.300 539 H SER 71 H SER 71 -4.702 -10.100 3.254 540 HA SER 71 HA SER 71 -5.807 -12.252 1.616 541 HB2 SER 71 1HB SER 71 -6.414 -11.416 4.462 542 HB3 SER 71 2HB SER 71 -7.132 -12.801 3.641 543 HG SER 71 HG SER 71 -5.121 -13.051 5.038 544 H LEU 72 H LEU 72 -8.307 -12.428 1.807 545 HA LEU 72 HA LEU 72 -9.504 -10.526 0.260 546 HB2 LEU 72 1HB LEU 72 -10.908 -12.085 2.423 547 HB3 LEU 72 2HB LEU 72 -11.637 -11.399 0.972 548 HG LEU 72 HG LEU 72 -9.501 -13.495 0.778 549 HD11 LEU 72 1HD1 LEU 72 -11.065 -15.237 0.906 550 HD12 LEU 72 2HD1 LEU 72 -12.434 -14.128 0.864 551 HD13 LEU 72 3HD1 LEU 72 -11.413 -14.212 2.299 552 HD21 LEU 72 3HD2 LEU 72 -9.947 -13.420 -1.400 553 HD22 LEU 72 1HD2 LEU 72 -10.890 -11.965 -1.075 554 HD23 LEU 72 2HD2 LEU 72 -11.685 -13.539 -1.119 555 H LYS 73 H LYS 73 -9.024 -10.461 3.720 556 HA LYS 73 HA LYS 73 -10.786 -8.284 4.250 557 HB2 LYS 73 1HB LYS 73 -9.929 -9.970 5.935 558 HB3 LYS 73 2HB LYS 73 -8.394 -9.112 5.896 559 HG2 LYS 73 1HG LYS 73 -9.573 -8.318 7.780 560 HG3 LYS 73 2HG LYS 73 -9.653 -7.042 6.562 561 HD2 LYS 73 1HD LYS 73 -11.902 -7.788 5.936 562 HD3 LYS 73 2HD LYS 73 -11.820 -9.058 7.159 563 HE2 LYS 73 1HE LYS 73 -11.536 -6.127 7.788 564 HE3 LYS 73 2HE LYS 73 -13.079 -6.980 7.824 565 HZ1 LYS 73 3HZ LYS 73 -12.390 -7.119 9.998 566 HZ2 LYS 73 1HZ LYS 73 -10.753 -7.280 9.600 567 HZ3 LYS 73 2HZ LYS 73 -11.809 -8.584 9.383 568 H ASP 74 H ASP 74 -7.237 -8.501 4.001 569 HA ASP 74 HA ASP 74 -6.426 -5.976 4.428 570 HB2 ASP 74 1HB ASP 74 -5.567 -7.790 2.168 571 HB3 ASP 74 2HB ASP 74 -4.714 -6.314 2.612 572 H ALA 75 H ALA 75 -8.224 -7.081 1.627 573 HA ALA 75 HA ALA 75 -7.928 -4.885 -0.055 574 HB1 ALA 75 3HB ALA 75 -10.392 -5.599 -0.712 575 HB2 ALA 75 1HB ALA 75 -8.993 -6.592 -1.123 576 HB3 ALA 75 2HB ALA 75 -9.985 -7.000 0.279 577 H GLY 76 H GLY 76 -8.375 -2.814 0.279 578 HA2 GLY 76 1HA GLY 76 -10.915 -1.961 1.288 579 HA3 GLY 76 2HA GLY 76 -9.628 -1.708 2.458 580 H GLU 77 H GLU 77 -10.358 0.568 2.144 581 HA GLU 77 HA GLU 77 -9.343 1.785 -0.319 582 HB2 GLU 77 1HB GLU 77 -11.660 2.269 0.880 583 HB3 GLU 77 2HB GLU 77 -10.676 3.386 1.816 584 HG2 GLU 77 1HG GLU 77 -9.931 4.430 -0.302 585 HG3 GLU 77 2HG GLU 77 -11.045 3.375 -1.170 586 H TYR 78 H TYR 78 -7.464 2.828 -0.377 587 HA TYR 78 HA TYR 78 -6.140 3.442 2.180 588 HB2 TYR 78 1HB TYR 78 -5.009 2.734 -0.527 589 HB3 TYR 78 2HB TYR 78 -4.024 3.395 0.773 590 HD1 TYR 78 1HD TYR 78 -4.094 2.103 3.032 591 HD2 TYR 78 2HD TYR 78 -5.299 0.436 -0.693 592 HE1 TYR 78 1HE TYR 78 -3.783 -0.158 3.950 593 HE2 TYR 78 2HE TYR 78 -4.992 -1.829 0.215 594 HH TYR 78 HH TYR 78 -3.487 -2.838 2.173 595 H THR 79 H THR 79 -6.593 5.522 2.616 596 HA THR 79 HA THR 79 -6.586 7.514 0.497 597 HB THR 79 HB THR 79 -7.112 7.838 3.458 598 HG1 THR 79 1HG THR 79 -9.111 7.319 2.987 599 HG21 THR 79 3HG2 THR 79 -7.022 9.736 1.178 600 HG22 THR 79 1HG2 THR 79 -6.633 9.992 2.878 601 HG23 THR 79 2HG2 THR 79 -8.318 9.944 2.356 602 H CYS 80 H CYS 80 -4.683 8.297 -0.127 603 HA CYS 80 HA CYS 80 -2.468 8.458 1.755 604 HB2 CYS 80 1HB CYS 80 -2.392 7.654 -0.743 605 HB3 CYS 80 2HB CYS 80 -2.293 9.376 -1.091 606 HG CYS 80 HG CYS 80 -0.106 7.849 1.041 607 H GLU 81 H GLU 81 -3.319 10.144 3.081 608 HA GLU 81 HA GLU 81 -3.931 12.716 1.982 609 HB2 GLU 81 1HB GLU 81 -4.643 11.568 4.266 610 HB3 GLU 81 2HB GLU 81 -3.202 12.385 4.855 611 HG2 GLU 81 1HG GLU 81 -5.093 14.004 3.265 612 HG3 GLU 81 2HG GLU 81 -5.621 13.501 4.870 613 H VAL 82 H VAL 82 -2.689 14.541 1.898 614 HA VAL 82 HA VAL 82 0.101 14.338 2.802 615 HB VAL 82 HB VAL 82 -0.298 13.966 0.251 616 HG11 VAL 82 1HG1 VAL 82 -1.070 15.649 -0.985 617 HG12 VAL 82 2HG1 VAL 82 -1.511 16.449 0.525 618 HG13 VAL 82 3HG1 VAL 82 0.041 16.797 -0.238 619 HG21 VAL 82 3HG2 VAL 82 1.907 14.251 0.182 620 HG22 VAL 82 1HG2 VAL 82 1.735 15.999 0.345 621 HG23 VAL 82 2HG2 VAL 82 1.812 14.982 1.784 622 H GLU 83 H GLU 83 1.147 16.663 2.356 623 HA GLU 83 HA GLU 83 0.420 18.414 4.214 624 HB2 GLU 83 1HB GLU 83 1.142 20.278 2.544 625 HB3 GLU 83 2HB GLU 83 2.308 19.057 3.036 626 HG2 GLU 83 1HG GLU 83 2.689 18.935 0.828 627 HG3 GLU 83 2HG GLU 83 1.297 17.854 0.867 628 H ALA 84 H ALA 84 -0.854 18.689 0.892 629 HA ALA 84 HA ALA 84 -3.296 19.878 2.028 630 HB1 ALA 84 3HB ALA 84 -1.754 20.821 -0.380 631 HB2 ALA 84 1HB ALA 84 -3.402 21.331 -0.011 632 HB3 ALA 84 2HB ALA 84 -2.090 21.711 1.105 633 H SER 85 H SER 85 -1.819 18.164 -0.690 634 HA SER 85 HA SER 85 -4.337 17.510 -1.903 635 HB2 SER 85 1HB SER 85 -1.474 16.926 -2.444 636 HB3 SER 85 2HB SER 85 -2.652 15.779 -3.080 637 HG SER 85 HG SER 85 -1.988 17.814 -4.335 638 H LYS 86 H LYS 86 -4.410 14.961 -2.534 639 HA LYS 86 HA LYS 86 -3.732 13.085 -0.556 640 HB2 LYS 86 1HB LYS 86 -5.260 14.102 0.933 641 HB3 LYS 86 2HB LYS 86 -6.465 14.327 -0.328 642 HG2 LYS 86 1HG LYS 86 -6.473 11.735 -0.429 643 HG3 LYS 86 2HG LYS 86 -5.739 11.851 1.172 644 HD2 LYS 86 1HD LYS 86 -7.934 11.812 1.785 645 HD3 LYS 86 2HD LYS 86 -7.743 13.551 1.549 646 HE2 LYS 86 1HE LYS 86 -8.449 13.017 -0.900 647 HE3 LYS 86 2HE LYS 86 -9.093 11.534 -0.198 648 HZ1 LYS 86 3HZ LYS 86 -9.923 14.319 0.282 649 HZ2 LYS 86 1HZ LYS 86 -10.213 13.136 1.456 650 HZ3 LYS 86 2HZ LYS 86 -10.875 12.971 -0.091 651 H SER 87 H SER 87 -4.353 10.982 -1.110 652 HA SER 87 HA SER 87 -5.813 10.737 -3.658 653 HB2 SER 87 1HB SER 87 -3.306 10.363 -3.809 654 HB3 SER 87 2HB SER 87 -3.543 8.935 -2.802 655 HG SER 87 HG SER 87 -4.761 8.015 -4.399 656 H THR 88 H THR 88 -6.863 8.660 -4.004 657 HA THR 88 HA THR 88 -7.336 7.039 -1.626 658 HB THR 88 HB THR 88 -9.614 8.331 -3.139 659 HG1 THR 88 1HG THR 88 -9.392 9.866 -1.711 660 HG21 THR 88 3HG2 THR 88 -11.092 7.167 -1.756 661 HG22 THR 88 1HG2 THR 88 -9.832 6.761 -0.591 662 HG23 THR 88 2HG2 THR 88 -9.875 5.957 -2.160 663 H ALA 89 H ALA 89 -7.408 4.949 -2.141 664 HA ALA 89 HA ALA 89 -8.242 4.182 -4.854 665 HB1 ALA 89 3HB ALA 89 -5.723 4.229 -4.557 666 HB2 ALA 89 1HB ALA 89 -5.929 2.865 -3.457 667 HB3 ALA 89 2HB ALA 89 -6.419 2.719 -5.145 668 H SER 90 H SER 90 -8.222 1.564 -4.824 669 HA SER 90 HA SER 90 -9.395 0.577 -2.342 670 HB2 SER 90 1HB SER 90 -10.864 0.778 -4.966 671 HB3 SER 90 2HB SER 90 -11.313 -0.413 -3.746 672 HG SER 90 HG SER 90 -12.250 1.114 -2.662 673 H LEU 91 H LEU 91 -8.073 -1.090 -1.973 674 HA LEU 91 HA LEU 91 -6.858 -2.629 -4.040 675 HB2 LEU 91 1HB LEU 91 -5.639 -2.452 -2.046 676 HB3 LEU 91 2HB LEU 91 -7.029 -2.896 -1.058 677 HG LEU 91 HG LEU 91 -6.856 -5.207 -2.033 678 HD11 LEU 91 1HD1 LEU 91 -5.156 -5.849 -3.398 679 HD12 LEU 91 2HD1 LEU 91 -4.048 -4.622 -2.786 680 HD13 LEU 91 3HD1 LEU 91 -5.316 -4.175 -3.927 681 HD21 LEU 91 3HD2 LEU 91 -5.946 -5.498 -0.025 682 HD22 LEU 91 1HD2 LEU 91 -5.183 -3.908 -0.069 683 HD23 LEU 91 2HD2 LEU 91 -4.369 -5.296 -0.790 684 H HIS 92 H HIS 92 -7.276 -4.728 -4.697 685 HA HIS 92 HA HIS 92 -9.834 -5.883 -3.806 686 HB2 HIS 92 1HB HIS 92 -8.771 -5.846 -6.639 687 HB3 HIS 92 2HB HIS 92 -10.261 -6.620 -6.109 688 HD1 HIS 92 1HD HIS 92 -12.215 -5.004 -5.362 689 HD2 HIS 92 2HD HIS 92 -8.960 -3.148 -7.157 690 HE1 HIS 92 1HE HIS 92 -13.013 -2.701 -5.984 691 HE2 HIS 92 2HE HIS 92 -11.052 -1.627 -7.145 692 H VAL 93 H VAL 93 -9.693 -7.909 -3.103 693 HA VAL 93 HA VAL 93 -7.448 -9.575 -4.024 694 HB VAL 93 HB VAL 93 -8.437 -9.322 -1.181 695 HG11 VAL 93 1HG1 VAL 93 -7.963 -11.580 -1.341 696 HG12 VAL 93 2HG1 VAL 93 -6.670 -11.331 -2.516 697 HG13 VAL 93 3HG1 VAL 93 -6.415 -10.912 -0.822 698 HG21 VAL 93 3HG2 VAL 93 -6.700 -7.689 -2.395 699 HG22 VAL 93 1HG2 VAL 93 -6.564 -8.140 -0.696 700 HG23 VAL 93 2HG2 VAL 93 -5.591 -8.970 -1.909 701 H GLU 94 H GLU 94 -8.268 -11.248 -5.086 702 HA GLU 94 HA GLU 94 -10.642 -12.586 -3.975 703 HB2 GLU 94 1HB GLU 94 -10.057 -11.972 -6.874 704 HB3 GLU 94 2HB GLU 94 -11.291 -13.111 -6.353 705 HG2 GLU 94 1HG GLU 94 -12.684 -11.479 -5.595 706 HG3 GLU 94 2HG GLU 94 -11.365 -10.371 -5.221 707 H GLU 95 H GLU 95 -10.648 -14.805 -4.027 708 HA GLU 95 HA GLU 95 -8.080 -16.069 -4.321 709 HB2 GLU 95 1HB GLU 95 -9.999 -16.554 -2.597 710 HB3 GLU 95 2HB GLU 95 -10.616 -17.596 -3.872 711 HG2 GLU 95 1HG GLU 95 -8.699 -18.965 -3.819 712 HG3 GLU 95 2HG GLU 95 -7.806 -17.804 -2.840 713 H LYS 96 H LYS 96 -7.885 -18.166 -5.511 714 HA LYS 96 HA LYS 96 -7.990 -17.946 -8.183 715 HB2 LYS 96 1HB LYS 96 -8.158 -20.304 -6.375 716 HB3 LYS 96 2HB LYS 96 -8.476 -20.571 -8.084 717 HG2 LYS 96 1HG LYS 96 -6.004 -19.177 -7.103 718 HG3 LYS 96 2HG LYS 96 -6.100 -20.928 -7.298 719 HD2 LYS 96 1HD LYS 96 -6.369 -20.770 -9.617 720 HD3 LYS 96 2HD LYS 96 -6.826 -19.067 -9.538 721 HE2 LYS 96 1HE LYS 96 -4.412 -18.795 -8.545 722 HE3 LYS 96 2HE LYS 96 -4.126 -20.325 -9.374 723 HZ1 LYS 96 3HZ LYS 96 -3.611 -18.274 -10.685 724 HZ2 LYS 96 1HZ LYS 96 -5.271 -17.949 -10.726 725 HZ3 LYS 96 2HZ LYS 96 -4.667 -19.357 -11.443 726 H ALA 97 H ALA 97 -9.478 -17.773 -9.726 727 HA ALA 97 HA ALA 97 -12.168 -17.435 -9.304 728 HB1 ALA 97 3HB ALA 97 -10.453 -17.544 -11.541 729 HB2 ALA 97 1HB ALA 97 -11.833 -18.584 -11.895 730 HB3 ALA 97 2HB ALA 97 -12.090 -16.896 -11.454 731 H SER 98 H SER 98 -13.799 -18.730 -8.787 732 HA SER 98 HA SER 98 -14.030 -21.402 -9.793 733 HB2 SER 98 1HB SER 98 -13.397 -20.967 -6.870 734 HB3 SER 98 2HB SER 98 -14.128 -22.448 -7.488 735 HG SER 98 HG SER 98 -12.138 -22.164 -9.036 736 H GLY 99 H GLY 99 -16.124 -21.746 -10.124 737 HA2 GLY 99 1HA GLY 99 -18.097 -19.936 -9.137 738 HA3 GLY 99 2HA GLY 99 -18.398 -21.381 -10.092 739 HA PRO 100 HA PRO 100 -19.409 -21.864 -5.422 740 HB2 PRO 100 1HB PRO 100 -22.042 -21.200 -5.422 741 HB3 PRO 100 2HB PRO 100 -20.756 -20.030 -5.099 742 HG2 PRO 100 1HG PRO 100 -22.268 -20.532 -7.634 743 HG3 PRO 100 2HG PRO 100 -21.812 -18.988 -6.890 744 HD2 PRO 100 1HD PRO 100 -20.440 -20.069 -8.959 745 HD3 PRO 100 2HD PRO 100 -19.658 -19.088 -7.703 746 H SER 101 H SER 101 -20.916 -22.662 -8.450 747 HA SER 101 HA SER 101 -22.219 -24.426 -9.129 748 HB2 SER 101 1HB SER 101 -19.775 -25.282 -8.589 749 HB3 SER 101 2HB SER 101 -20.609 -26.190 -7.328 750 HG SER 101 HG SER 101 -21.713 -27.301 -8.834 751 H SER 102 H SER 102 -23.605 -23.137 -7.217 752 HA SER 102 HA SER 102 -24.814 -25.339 -5.682 753 HB2 SER 102 1HB SER 102 -24.114 -22.562 -4.763 754 HB3 SER 102 2HB SER 102 -25.417 -23.466 -3.990 755 HG SER 102 HG SER 102 -23.548 -23.906 -2.876 756 H GLY 103 H GLY 103 -26.907 -25.633 -6.085 757 HA2 GLY 103 1HA GLY 103 -28.952 -23.870 -6.206 758 HA3 GLY 103 2HA GLY 103 -28.292 -23.794 -7.833 Start of MODEL 14 1 H1 GLY 1 H GLY 1 13.174 18.385 -15.652 2 HA2 GLY 1 1HA GLY 1 14.483 19.253 -13.906 3 HA3 GLY 1 2HA GLY 1 12.878 19.263 -13.191 4 H SER 2 H SER 2 15.523 18.962 -11.932 5 HA SER 2 HA SER 2 15.720 16.223 -11.081 6 HB2 SER 2 1HB SER 2 17.706 17.699 -11.242 7 HB3 SER 2 2HB SER 2 17.054 18.689 -9.937 8 HG SER 2 HG SER 2 17.928 16.000 -9.827 9 H SER 3 H SER 3 14.730 19.275 -9.549 10 HA SER 3 HA SER 3 14.018 18.112 -7.069 11 HB2 SER 3 1HB SER 3 14.475 20.589 -7.607 12 HB3 SER 3 2HB SER 3 12.801 20.644 -8.160 13 HG SER 3 HG SER 3 13.491 21.069 -5.778 14 H GLY 4 H GLY 4 12.183 18.871 -9.995 15 HA2 GLY 4 1HA GLY 4 10.401 17.272 -10.571 16 HA3 GLY 4 2HA GLY 4 9.945 17.301 -8.874 17 H SER 5 H SER 5 9.369 19.551 -8.037 18 HA SER 5 HA SER 5 8.299 21.386 -9.987 19 HB2 SER 5 1HB SER 5 6.559 19.473 -8.508 20 HB3 SER 5 2HB SER 5 5.981 21.130 -8.682 21 HG SER 5 HG SER 5 6.910 19.581 -10.864 22 H SER 6 H SER 6 8.158 23.411 -9.185 23 HA SER 6 HA SER 6 9.119 23.853 -6.498 24 HB2 SER 6 1HB SER 6 9.715 25.204 -8.632 25 HB3 SER 6 2HB SER 6 8.180 26.027 -8.354 26 HG SER 6 HG SER 6 9.955 25.766 -6.210 27 H GLY 7 H GLY 7 7.809 23.882 -4.803 28 HA2 GLY 7 1HA GLY 7 5.842 25.517 -4.123 29 HA3 GLY 7 2HA GLY 7 4.963 24.421 -5.179 30 HA PRO 8 HA PRO 8 4.548 22.656 -0.973 31 HB2 PRO 8 1HB PRO 8 2.045 21.695 -1.399 32 HB3 PRO 8 2HB PRO 8 2.363 23.363 -0.907 33 HG2 PRO 8 1HG PRO 8 1.789 22.269 -3.634 34 HG3 PRO 8 2HG PRO 8 1.164 23.739 -2.864 35 HD2 PRO 8 1HD PRO 8 3.181 23.786 -4.669 36 HD3 PRO 8 2HD PRO 8 3.071 24.946 -3.329 37 H ALA 9 H ALA 9 4.496 20.483 -0.290 38 HA ALA 9 HA ALA 9 5.448 18.607 -2.251 39 HB1 ALA 9 3HB ALA 9 5.094 18.569 0.714 40 HB2 ALA 9 1HB ALA 9 5.363 17.059 -0.157 41 HB3 ALA 9 2HB ALA 9 6.558 18.354 -0.245 42 H ALA 10 H ALA 10 2.915 19.321 -2.984 43 HA ALA 10 HA ALA 10 0.906 17.565 -1.996 44 HB1 ALA 10 3HB ALA 10 -0.319 18.268 -4.090 45 HB2 ALA 10 1HB ALA 10 0.173 19.572 -3.009 46 HB3 ALA 10 2HB ALA 10 1.092 19.251 -4.480 47 H ILE 11 H ILE 11 -0.271 16.049 -3.545 48 HA ILE 11 HA ILE 11 1.723 14.246 -4.706 49 HB ILE 11 HB ILE 11 -1.180 13.716 -4.060 50 HG12 ILE 11 1HG1 ILE 11 1.174 12.578 -2.581 51 HG13 ILE 11 2HG1 ILE 11 0.538 14.162 -2.153 52 HG21 ILE 11 1HG2 ILE 11 0.308 11.337 -4.189 53 HG22 ILE 11 2HG2 ILE 11 -0.949 11.888 -5.295 54 HG23 ILE 11 3HG2 ILE 11 0.741 12.273 -5.619 55 HD11 ILE 11 3HD1 ILE 11 -1.440 13.300 -1.364 56 HD12 ILE 11 1HD1 ILE 11 -1.309 11.830 -2.328 57 HD13 ILE 11 2HD1 ILE 11 -0.288 12.046 -0.906 58 H ILE 12 H ILE 12 1.924 14.000 -6.831 59 HA ILE 12 HA ILE 12 -0.092 15.226 -8.574 60 HB ILE 12 HB ILE 12 1.818 14.714 -10.321 61 HG12 ILE 12 1HG1 ILE 12 3.082 13.545 -8.341 62 HG13 ILE 12 2HG1 ILE 12 3.977 14.518 -9.503 63 HG21 ILE 12 1HG2 ILE 12 2.872 16.950 -9.610 64 HG22 ILE 12 2HG2 ILE 12 1.159 16.927 -10.025 65 HG23 ILE 12 3HG2 ILE 12 1.655 16.950 -8.333 66 HD11 ILE 12 3HD1 ILE 12 4.371 14.782 -6.935 67 HD12 ILE 12 1HD1 ILE 12 4.378 16.189 -7.998 68 HD13 ILE 12 2HD1 ILE 12 2.947 15.817 -7.036 69 H LYS 13 H LYS 13 1.625 12.213 -7.975 70 HA LYS 13 HA LYS 13 -0.025 10.882 -10.012 71 HB2 LYS 13 1HB LYS 13 2.534 10.021 -8.657 72 HB3 LYS 13 2HB LYS 13 1.607 8.994 -9.743 73 HG2 LYS 13 1HG LYS 13 1.901 10.745 -11.507 74 HG3 LYS 13 2HG LYS 13 3.011 11.569 -10.410 75 HD2 LYS 13 1HD LYS 13 4.588 9.862 -10.526 76 HD3 LYS 13 2HD LYS 13 3.406 8.679 -11.093 77 HE2 LYS 13 1HE LYS 13 3.244 9.935 -13.223 78 HE3 LYS 13 2HE LYS 13 4.518 11.011 -12.650 79 HZ1 LYS 13 3HZ LYS 13 5.117 9.006 -14.141 80 HZ2 LYS 13 1HZ LYS 13 4.980 8.106 -12.715 81 HZ3 LYS 13 2HZ LYS 13 6.100 9.369 -12.813 82 HA PRO 14 HA PRO 14 -2.217 9.566 -6.254 83 HB2 PRO 14 1HB PRO 14 -4.518 8.962 -7.562 84 HB3 PRO 14 2HB PRO 14 -4.097 10.606 -7.070 85 HG2 PRO 14 1HG PRO 14 -3.816 9.300 -9.749 86 HG3 PRO 14 2HG PRO 14 -4.392 10.930 -9.353 87 HD2 PRO 14 1HD PRO 14 -1.880 10.449 -10.242 88 HD3 PRO 14 2HD PRO 14 -2.257 11.762 -9.108 89 H LEU 15 H LEU 15 -2.996 7.520 -5.560 90 HA LEU 15 HA LEU 15 -1.635 5.305 -6.671 91 HB2 LEU 15 1HB LEU 15 -3.939 5.262 -4.731 92 HB3 LEU 15 2HB LEU 15 -2.752 3.985 -4.993 93 HG LEU 15 HG LEU 15 -1.816 6.661 -4.061 94 HD11 LEU 15 1HD1 LEU 15 -2.303 6.225 -1.805 95 HD12 LEU 15 2HD1 LEU 15 -2.804 4.569 -2.145 96 HD13 LEU 15 3HD1 LEU 15 -3.809 5.919 -2.670 97 HD21 LEU 15 3HD2 LEU 15 -0.644 4.180 -4.567 98 HD22 LEU 15 1HD2 LEU 15 -0.707 4.314 -2.809 99 HD23 LEU 15 2HD2 LEU 15 0.093 5.565 -3.760 100 H GLU 16 H GLU 16 -2.996 3.168 -6.977 101 HA GLU 16 HA GLU 16 -5.394 3.674 -8.570 102 HB2 GLU 16 1HB GLU 16 -2.917 2.280 -9.584 103 HB3 GLU 16 2HB GLU 16 -4.490 2.128 -10.354 104 HG2 GLU 16 1HG GLU 16 -4.528 4.566 -10.697 105 HG3 GLU 16 2HG GLU 16 -2.913 4.666 -9.996 106 H ASP 17 H ASP 17 -6.699 1.800 -8.919 107 HA ASP 17 HA ASP 17 -6.889 0.101 -6.699 108 HB2 ASP 17 1HB ASP 17 -8.088 -0.134 -9.464 109 HB3 ASP 17 2HB ASP 17 -8.523 -1.181 -8.116 110 H GLN 18 H GLN 18 -5.913 -1.746 -6.181 111 HA GLN 18 HA GLN 18 -4.179 -3.002 -8.187 112 HB2 GLN 18 1HB GLN 18 -4.185 -3.235 -5.173 113 HB3 GLN 18 2HB GLN 18 -3.069 -4.072 -6.244 114 HG2 GLN 18 1HG GLN 18 -3.315 -1.080 -6.124 115 HG3 GLN 18 2HG GLN 18 -2.177 -2.006 -5.147 116 HE21 GLN 18 1HE2 GLN 18 -1.700 0.009 -7.216 117 HE22 GLN 18 2HE2 GLN 18 -0.699 -0.755 -8.398 118 H TRP 19 H TRP 19 -4.150 -5.268 -8.455 119 HA TRP 19 HA TRP 19 -6.478 -6.700 -7.370 120 HB2 TRP 19 1HB TRP 19 -5.648 -6.390 -10.231 121 HB3 TRP 19 2HB TRP 19 -6.443 -7.875 -9.718 122 HD1 TRP 19 HD TRP 19 -8.994 -7.623 -8.781 123 HE1 TRP 19 1HE TRP 19 -10.806 -5.881 -9.336 124 HE3 TRP 19 3HE TRP 19 -6.031 -3.996 -10.829 125 HZ2 TRP 19 2HZ TRP 19 -10.958 -3.310 -10.491 126 HZ3 TRP 19 3HZ TRP 19 -7.088 -1.925 -11.635 127 HH2 TRP 19 HH TRP 19 -9.501 -1.591 -11.469 128 H VAL 20 H VAL 20 -5.319 -7.919 -5.932 129 HA VAL 20 HA VAL 20 -3.369 -9.789 -7.110 130 HB VAL 20 HB VAL 20 -2.109 -9.795 -5.036 131 HG11 VAL 20 1HG1 VAL 20 -2.426 -6.889 -5.636 132 HG12 VAL 20 2HG1 VAL 20 -0.956 -7.833 -5.389 133 HG13 VAL 20 3HG1 VAL 20 -1.856 -7.980 -6.899 134 HG21 VAL 20 3HG2 VAL 20 -2.661 -8.607 -3.123 135 HG22 VAL 20 1HG2 VAL 20 -3.730 -7.506 -3.993 136 HG23 VAL 20 2HG2 VAL 20 -4.235 -9.168 -3.687 137 H ALA 21 H ALA 21 -2.970 -11.549 -5.170 138 HA ALA 21 HA ALA 21 -5.654 -12.641 -4.645 139 HB1 ALA 21 3HB ALA 21 -4.943 -14.585 -5.448 140 HB2 ALA 21 1HB ALA 21 -3.449 -13.782 -5.932 141 HB3 ALA 21 2HB ALA 21 -3.552 -14.583 -4.364 142 HA PRO 22 HA PRO 22 -5.055 -12.712 -0.300 143 HB2 PRO 22 1HB PRO 22 -5.930 -15.178 0.426 144 HB3 PRO 22 2HB PRO 22 -7.017 -13.894 -0.117 145 HG2 PRO 22 1HG PRO 22 -5.913 -16.217 -1.650 146 HG3 PRO 22 2HG PRO 22 -7.561 -15.560 -1.646 147 HD2 PRO 22 1HD PRO 22 -5.780 -15.015 -3.611 148 HD3 PRO 22 2HD PRO 22 -7.018 -13.852 -3.096 149 H GLY 23 H GLY 23 -2.753 -12.595 -0.249 150 HA2 GLY 23 1HA GLY 23 -1.251 -13.983 1.326 151 HA3 GLY 23 2HA GLY 23 -1.354 -15.169 0.033 152 H GLU 24 H GLU 24 -1.457 -12.364 -1.569 153 HA GLU 24 HA GLU 24 1.392 -12.476 -2.169 154 HB2 GLU 24 1HB GLU 24 -0.875 -10.999 -3.518 155 HB3 GLU 24 2HB GLU 24 0.794 -10.991 -4.072 156 HG2 GLU 24 1HG GLU 24 -0.584 -13.601 -3.701 157 HG3 GLU 24 2HG GLU 24 -0.973 -12.618 -5.112 158 H ASP 25 H ASP 25 2.468 -10.317 -2.649 159 HA ASP 25 HA ASP 25 1.931 -8.514 -0.393 160 HB2 ASP 25 1HB ASP 25 4.286 -7.703 -0.858 161 HB3 ASP 25 2HB ASP 25 4.151 -9.364 -0.286 162 H VAL 26 H VAL 26 0.926 -6.678 -0.833 163 HA VAL 26 HA VAL 26 0.897 -5.659 -3.568 164 HB VAL 26 HB VAL 26 -0.681 -4.822 -1.132 165 HG11 VAL 26 1HG1 VAL 26 -2.041 -3.533 -2.799 166 HG12 VAL 26 2HG1 VAL 26 -0.422 -2.893 -2.508 167 HG13 VAL 26 3HG1 VAL 26 -0.755 -3.820 -3.972 168 HG21 VAL 26 3HG2 VAL 26 -2.507 -5.710 -2.879 169 HG22 VAL 26 1HG2 VAL 26 -1.140 -6.719 -3.352 170 HG23 VAL 26 2HG2 VAL 26 -1.728 -6.753 -1.690 171 H GLU 27 H GLU 27 1.680 -3.684 -4.182 172 HA GLU 27 HA GLU 27 3.022 -2.057 -2.135 173 HB2 GLU 27 1HB GLU 27 4.192 -2.856 -4.807 174 HB3 GLU 27 2HB GLU 27 4.910 -1.698 -3.696 175 HG2 GLU 27 1HG GLU 27 5.227 -3.418 -2.038 176 HG3 GLU 27 2HG GLU 27 4.392 -4.592 -3.055 177 H LEU 28 H LEU 28 1.999 -0.170 -2.141 178 HA LEU 28 HA LEU 28 1.020 0.916 -4.687 179 HB2 LEU 28 1HB LEU 28 0.347 1.795 -1.885 180 HB3 LEU 28 2HB LEU 28 -0.428 2.331 -3.375 181 HG LEU 28 HG LEU 28 -0.513 -0.567 -2.681 182 HD11 LEU 28 1HD1 LEU 28 -1.787 1.615 -1.149 183 HD12 LEU 28 2HD1 LEU 28 -1.328 -0.012 -0.647 184 HD13 LEU 28 3HD1 LEU 28 -2.808 0.241 -1.573 185 HD21 LEU 28 3HD2 LEU 28 -2.660 -0.425 -3.813 186 HD22 LEU 28 1HD2 LEU 28 -1.381 0.250 -4.824 187 HD23 LEU 28 2HD2 LEU 28 -2.483 1.325 -3.964 188 H ARG 29 H ARG 29 2.498 2.172 -5.629 189 HA ARG 29 HA ARG 29 4.210 3.875 -3.976 190 HB2 ARG 29 1HB ARG 29 4.327 2.975 -6.844 191 HB3 ARG 29 2HB ARG 29 5.308 4.316 -6.269 192 HG2 ARG 29 1HG ARG 29 6.342 2.845 -4.609 193 HG3 ARG 29 2HG ARG 29 5.367 1.500 -5.206 194 HD2 ARG 29 1HD ARG 29 7.644 1.471 -6.125 195 HD3 ARG 29 2HD ARG 29 6.422 1.664 -7.382 196 HE ARG 29 HE ARG 29 7.210 4.213 -6.680 197 HH11 ARG 29 2HH1 ARG 29 8.708 1.351 -7.977 198 HH12 ARG 29 1HH1 ARG 29 9.910 2.226 -8.867 199 HH21 ARG 29 2HH2 ARG 29 8.787 5.376 -7.848 200 HH22 ARG 29 1HH2 ARG 29 9.954 4.515 -8.793 201 H CYS 30 H CYS 30 4.423 6.114 -4.367 202 HA CYS 30 HA CYS 30 2.340 7.352 -6.019 203 HB2 CYS 30 1HB CYS 30 1.733 8.905 -4.262 204 HB3 CYS 30 2HB CYS 30 1.529 7.259 -3.673 205 HG CYS 30 HG CYS 30 4.014 7.310 -2.273 206 H GLU 31 H GLU 31 2.755 9.927 -5.756 207 HA GLU 31 HA GLU 31 5.635 10.433 -5.943 208 HB2 GLU 31 1HB GLU 31 4.558 9.984 -8.227 209 HB3 GLU 31 2HB GLU 31 3.732 11.520 -8.006 210 HG2 GLU 31 1HG GLU 31 5.575 12.114 -9.250 211 HG3 GLU 31 2HG GLU 31 6.095 12.472 -7.604 212 H LEU 32 H LEU 32 6.273 12.466 -5.325 213 HA LEU 32 HA LEU 32 4.150 14.328 -4.494 214 HB2 LEU 32 1HB LEU 32 6.710 14.047 -2.967 215 HB3 LEU 32 2HB LEU 32 5.187 14.768 -2.453 216 HG LEU 32 HG LEU 32 5.388 11.824 -2.977 217 HD11 LEU 32 1HD1 LEU 32 6.917 13.188 -1.051 218 HD12 LEU 32 2HD1 LEU 32 6.655 11.451 -1.200 219 HD13 LEU 32 3HD1 LEU 32 5.584 12.420 -0.189 220 HD21 LEU 32 3HD2 LEU 32 3.245 13.331 -2.512 221 HD22 LEU 32 1HD2 LEU 32 3.738 13.049 -0.842 222 HD23 LEU 32 2HD2 LEU 32 3.392 11.682 -1.902 223 H SER 33 H SER 33 4.453 16.431 -4.999 224 HA SER 33 HA SER 33 6.308 17.156 -6.965 225 HB2 SER 33 1HB SER 33 4.403 18.503 -6.909 226 HB3 SER 33 2HB SER 33 4.479 18.709 -5.159 227 HG SER 33 HG SER 33 5.164 20.603 -6.123 228 H ARG 34 H ARG 34 6.744 16.746 -3.649 229 HA ARG 34 HA ARG 34 9.444 17.762 -3.809 230 HB2 ARG 34 1HB ARG 34 8.371 19.800 -3.159 231 HB3 ARG 34 2HB ARG 34 7.407 18.973 -1.942 232 HG2 ARG 34 1HG ARG 34 9.749 18.373 -0.936 233 HG3 ARG 34 2HG ARG 34 10.270 19.777 -1.870 234 HD2 ARG 34 1HD ARG 34 8.456 21.089 -0.766 235 HD3 ARG 34 2HD ARG 34 8.138 19.690 0.259 236 HE ARG 34 HE ARG 34 9.947 20.271 1.518 237 HH11 ARG 34 2HH1 ARG 34 10.221 21.802 -1.596 238 HH12 ARG 34 1HH1 ARG 34 11.628 22.718 -1.168 239 HH21 ARG 34 2HH2 ARG 34 11.799 21.471 2.095 240 HH22 ARG 34 1HH2 ARG 34 12.526 22.528 0.932 241 H ALA 35 H ALA 35 10.817 16.722 -2.435 242 HA ALA 35 HA ALA 35 9.797 14.385 -1.098 243 HB1 ALA 35 3HB ALA 35 12.389 14.370 -0.427 244 HB2 ALA 35 1HB ALA 35 11.795 13.813 -1.991 245 HB3 ALA 35 2HB ALA 35 12.459 15.439 -1.828 246 H GLY 36 H GLY 36 10.977 13.909 1.133 247 HA2 GLY 36 1HA GLY 36 11.451 14.595 3.320 248 HA3 GLY 36 2HA GLY 36 11.061 16.246 2.863 249 H THR 37 H THR 37 8.551 16.165 1.966 250 HA THR 37 HA THR 37 7.006 16.024 4.299 251 HB THR 37 HB THR 37 6.127 16.085 1.407 252 HG1 THR 37 1HG THR 37 7.139 17.982 1.917 253 HG21 THR 37 3HG2 THR 37 3.994 15.944 2.044 254 HG22 THR 37 1HG2 THR 37 4.230 17.160 3.298 255 HG23 THR 37 2HG2 THR 37 4.566 15.462 3.641 256 HA PRO 38 HA PRO 38 6.378 11.602 4.395 257 HB2 PRO 38 1HB PRO 38 4.893 11.600 6.667 258 HB3 PRO 38 2HB PRO 38 6.653 11.762 6.670 259 HG2 PRO 38 1HG PRO 38 4.555 13.885 6.906 260 HG3 PRO 38 2HG PRO 38 6.066 13.698 7.816 261 HD2 PRO 38 1HD PRO 38 5.815 15.429 5.749 262 HD3 PRO 38 2HD PRO 38 7.343 14.608 6.127 263 H VAL 39 H VAL 39 4.405 10.176 4.691 264 HA VAL 39 HA VAL 39 2.031 11.468 3.511 265 HB VAL 39 HB VAL 39 3.398 9.882 2.009 266 HG11 VAL 39 1HG1 VAL 39 2.879 7.508 2.256 267 HG12 VAL 39 2HG1 VAL 39 3.735 8.123 3.671 268 HG13 VAL 39 3HG1 VAL 39 1.993 7.850 3.741 269 HG21 VAL 39 3HG2 VAL 39 0.438 9.563 2.464 270 HG22 VAL 39 1HG2 VAL 39 1.248 10.636 1.322 271 HG23 VAL 39 2HG2 VAL 39 1.288 8.891 1.073 272 H HIS 40 H HIS 40 -0.012 10.623 4.095 273 HA HIS 40 HA HIS 40 0.014 9.164 6.652 274 HB2 HIS 40 1HB HIS 40 -0.974 11.588 6.366 275 HB3 HIS 40 2HB HIS 40 -2.363 10.723 5.715 276 HD1 HIS 40 1HD HIS 40 -3.568 11.786 7.883 277 HD2 HIS 40 2HD HIS 40 -0.758 8.810 8.599 278 HE1 HIS 40 1HE HIS 40 -4.009 10.994 10.229 279 HE2 HIS 40 2HE HIS 40 -2.242 9.254 10.670 280 H TRP 41 H TRP 41 -0.265 7.062 6.177 281 HA TRP 41 HA TRP 41 -2.066 6.233 4.065 282 HB2 TRP 41 1HB TRP 41 -0.407 4.620 6.014 283 HB3 TRP 41 2HB TRP 41 -1.339 3.942 4.682 284 HD1 TRP 41 HD TRP 41 1.897 5.789 5.436 285 HE1 TRP 41 1HE TRP 41 3.354 5.825 3.314 286 HE3 TRP 41 3HE TRP 41 -1.501 3.951 2.087 287 HZ2 TRP 41 2HZ TRP 41 3.096 5.163 0.582 288 HZ3 TRP 41 3HZ TRP 41 -0.816 3.683 -0.261 289 HH2 TRP 41 HH TRP 41 1.435 4.277 -0.996 290 H LEU 42 H LEU 42 -4.174 6.063 4.400 291 HA LEU 42 HA LEU 42 -5.113 5.255 7.074 292 HB2 LEU 42 1HB LEU 42 -6.534 6.975 5.048 293 HB3 LEU 42 2HB LEU 42 -7.159 6.508 6.628 294 HG LEU 42 HG LEU 42 -4.589 8.004 6.525 295 HD11 LEU 42 1HD1 LEU 42 -6.061 9.188 4.939 296 HD12 LEU 42 2HD1 LEU 42 -5.713 10.132 6.387 297 HD13 LEU 42 3HD1 LEU 42 -7.276 9.333 6.210 298 HD21 LEU 42 3HD2 LEU 42 -6.891 8.487 8.364 299 HD22 LEU 42 1HD2 LEU 42 -5.161 8.664 8.657 300 HD23 LEU 42 2HD2 LEU 42 -5.882 7.056 8.581 301 H LYS 43 H LYS 43 -6.722 3.718 7.225 302 HA LYS 43 HA LYS 43 -7.465 2.376 4.708 303 HB2 LYS 43 1HB LYS 43 -5.808 1.233 6.414 304 HB3 LYS 43 2HB LYS 43 -7.294 0.854 7.275 305 HG2 LYS 43 1HG LYS 43 -8.155 -0.304 5.322 306 HG3 LYS 43 2HG LYS 43 -6.699 0.114 4.416 307 HD2 LYS 43 1HD LYS 43 -5.371 -1.344 5.627 308 HD3 LYS 43 2HD LYS 43 -6.468 -1.356 7.010 309 HE2 LYS 43 1HE LYS 43 -7.457 -2.426 4.417 310 HE3 LYS 43 2HE LYS 43 -6.307 -3.399 5.333 311 HZ1 LYS 43 3HZ LYS 43 -7.833 -3.890 6.870 312 HZ2 LYS 43 1HZ LYS 43 -8.968 -3.411 5.710 313 HZ3 LYS 43 2HZ LYS 43 -8.471 -2.324 6.907 314 H ASP 44 H ASP 44 -9.426 3.523 4.602 315 HA ASP 44 HA ASP 44 -11.698 3.615 4.836 316 HB2 ASP 44 1HB ASP 44 -11.279 1.129 5.612 317 HB3 ASP 44 2HB ASP 44 -11.672 1.783 7.199 318 H ARG 45 H ARG 45 -10.078 5.521 6.006 319 HA ARG 45 HA ARG 45 -10.331 7.343 7.361 320 HB2 ARG 45 1HB ARG 45 -12.678 5.999 8.685 321 HB3 ARG 45 2HB ARG 45 -12.339 7.719 8.554 322 HG2 ARG 45 1HG ARG 45 -12.797 6.101 6.088 323 HG3 ARG 45 2HG ARG 45 -14.164 6.644 7.062 324 HD2 ARG 45 1HD ARG 45 -12.870 8.953 6.906 325 HD3 ARG 45 2HD ARG 45 -12.236 8.214 5.436 326 HE ARG 45 HE ARG 45 -14.239 8.660 4.462 327 HH11 ARG 45 2HH1 ARG 45 -14.738 8.382 7.896 328 HH12 ARG 45 1HH1 ARG 45 -16.427 8.756 7.813 329 HH21 ARG 45 2HH2 ARG 45 -16.463 9.155 4.340 330 HH22 ARG 45 1HH2 ARG 45 -17.408 9.195 5.790 331 H LYS 46 H LYS 46 -8.903 4.813 8.043 332 HA LYS 46 HA LYS 46 -8.745 5.212 10.960 333 HB2 LYS 46 1HB LYS 46 -8.525 2.965 11.329 334 HB3 LYS 46 2HB LYS 46 -9.529 2.915 9.886 335 HG2 LYS 46 1HG LYS 46 -7.636 2.453 8.502 336 HG3 LYS 46 2HG LYS 46 -6.527 2.712 9.851 337 HD2 LYS 46 1HD LYS 46 -6.778 0.351 9.533 338 HD3 LYS 46 2HD LYS 46 -7.617 0.796 11.021 339 HE2 LYS 46 1HE LYS 46 -9.713 0.968 9.552 340 HE3 LYS 46 2HE LYS 46 -8.779 0.086 8.345 341 HZ1 LYS 46 3HZ LYS 46 -8.857 -1.813 9.539 342 HZ2 LYS 46 1HZ LYS 46 -10.266 -1.116 10.164 343 HZ3 LYS 46 2HZ LYS 46 -8.820 -1.027 11.037 344 H ALA 47 H ALA 47 -6.780 5.604 11.843 345 HA ALA 47 HA ALA 47 -4.656 6.406 10.111 346 HB1 ALA 47 3HB ALA 47 -4.677 6.117 13.113 347 HB2 ALA 47 1HB ALA 47 -3.460 6.965 12.159 348 HB3 ALA 47 2HB ALA 47 -5.117 7.568 12.213 349 H ILE 48 H ILE 48 -3.274 5.066 9.170 350 HA ILE 48 HA ILE 48 -2.813 2.415 10.275 351 HB ILE 48 HB ILE 48 -1.662 3.593 7.746 352 HG12 ILE 48 1HG1 ILE 48 -4.115 1.847 8.007 353 HG13 ILE 48 2HG1 ILE 48 -4.181 3.597 7.828 354 HG21 ILE 48 1HG2 ILE 48 -2.114 0.760 7.724 355 HG22 ILE 48 2HG2 ILE 48 -0.612 1.654 7.494 356 HG23 ILE 48 3HG2 ILE 48 -1.131 1.207 9.119 357 HD11 ILE 48 3HD1 ILE 48 -2.955 3.351 5.679 358 HD12 ILE 48 1HD1 ILE 48 -3.110 1.603 5.851 359 HD13 ILE 48 2HD1 ILE 48 -4.553 2.605 5.697 360 H ARG 49 H ARG 49 -0.838 1.623 10.944 361 HA ARG 49 HA ARG 49 1.305 3.617 11.283 362 HB2 ARG 49 1HB ARG 49 0.393 1.476 13.209 363 HB3 ARG 49 2HB ARG 49 1.885 2.387 13.396 364 HG2 ARG 49 1HG ARG 49 -0.712 3.831 13.117 365 HG3 ARG 49 2HG ARG 49 -0.252 3.123 14.666 366 HD2 ARG 49 1HD ARG 49 1.425 5.064 13.080 367 HD3 ARG 49 2HD ARG 49 0.402 5.498 14.449 368 HE ARG 49 HE ARG 49 2.122 3.482 15.296 369 HH11 ARG 49 2HH1 ARG 49 2.308 6.772 14.173 370 HH12 ARG 49 1HH1 ARG 49 3.741 7.136 15.075 371 HH21 ARG 49 2HH2 ARG 49 4.010 3.950 16.488 372 HH22 ARG 49 1HH2 ARG 49 4.709 5.530 16.391 373 H LYS 50 H LYS 50 3.336 3.015 10.744 374 HA LYS 50 HA LYS 50 3.784 0.891 9.010 375 HB2 LYS 50 1HB LYS 50 5.269 2.810 9.101 376 HB3 LYS 50 2HB LYS 50 5.754 2.397 10.740 377 HG2 LYS 50 1HG LYS 50 6.929 0.479 10.008 378 HG3 LYS 50 2HG LYS 50 6.222 0.578 8.394 379 HD2 LYS 50 1HD LYS 50 8.374 1.439 8.113 380 HD3 LYS 50 2HD LYS 50 7.364 2.879 8.261 381 HE2 LYS 50 1HE LYS 50 7.933 2.827 10.740 382 HE3 LYS 50 2HE LYS 50 9.172 1.645 10.323 383 HZ1 LYS 50 3HZ LYS 50 10.379 3.543 10.157 384 HZ2 LYS 50 1HZ LYS 50 9.054 4.503 9.727 385 HZ3 LYS 50 2HZ LYS 50 9.780 3.498 8.576 386 H SER 51 H SER 51 4.249 -1.209 9.251 387 HA SER 51 HA SER 51 5.400 -2.258 11.670 388 HB2 SER 51 1HB SER 51 3.463 -3.888 11.998 389 HB3 SER 51 2HB SER 51 3.176 -2.223 12.503 390 HG SER 51 HG SER 51 1.716 -3.609 10.866 391 H GLN 52 H GLN 52 5.098 -4.861 11.477 392 HA GLN 52 HA GLN 52 6.674 -5.624 9.301 393 HB2 GLN 52 1HB GLN 52 6.034 -7.969 9.960 394 HB3 GLN 52 2HB GLN 52 6.691 -6.982 11.259 395 HG2 GLN 52 1HG GLN 52 4.630 -6.760 12.304 396 HG3 GLN 52 2HG GLN 52 3.737 -7.203 10.850 397 HE21 GLN 52 1HE2 GLN 52 3.758 -9.410 10.186 398 HE22 GLN 52 2HE2 GLN 52 4.014 -10.668 11.341 399 H LYS 53 H LYS 53 3.326 -5.047 9.481 400 HA LYS 53 HA LYS 53 2.734 -6.680 7.130 401 HB2 LYS 53 1HB LYS 53 1.061 -6.880 8.791 402 HB3 LYS 53 2HB LYS 53 1.020 -5.145 9.072 403 HG2 LYS 53 1HG LYS 53 -0.953 -5.760 7.885 404 HG3 LYS 53 2HG LYS 53 0.090 -4.856 6.785 405 HD2 LYS 53 1HD LYS 53 -0.536 -6.615 5.444 406 HD3 LYS 53 2HD LYS 53 0.959 -7.246 6.141 407 HE2 LYS 53 1HE LYS 53 -1.614 -7.756 7.554 408 HE3 LYS 53 2HE LYS 53 -1.249 -8.684 6.100 409 HZ1 LYS 53 3HZ LYS 53 -0.167 -10.020 7.507 410 HZ2 LYS 53 1HZ LYS 53 -0.085 -8.856 8.732 411 HZ3 LYS 53 2HZ LYS 53 1.054 -8.849 7.482 412 H TYR 54 H TYR 54 2.399 -3.298 8.196 413 HA TYR 54 HA TYR 54 2.229 -2.494 5.374 414 HB2 TYR 54 1HB TYR 54 1.510 -0.953 7.877 415 HB3 TYR 54 2HB TYR 54 1.340 -0.355 6.230 416 HD1 TYR 54 2HD TYR 54 0.014 -2.191 4.676 417 HD2 TYR 54 1HD TYR 54 -0.454 -1.619 8.866 418 HE1 TYR 54 2HE TYR 54 -2.242 -3.164 4.551 419 HE2 TYR 54 1HE TYR 54 -2.710 -2.591 8.753 420 HH TYR 54 HH TYR 54 -3.874 -4.214 5.958 421 H ASP 55 H ASP 55 4.342 -2.388 4.746 422 HA ASP 55 HA ASP 55 6.286 -0.979 6.379 423 HB2 ASP 55 1HB ASP 55 6.767 -2.021 3.596 424 HB3 ASP 55 2HB ASP 55 7.931 -1.787 4.898 425 H VAL 56 H VAL 56 6.388 1.159 6.312 426 HA VAL 56 HA VAL 56 5.469 2.591 3.939 427 HB VAL 56 HB VAL 56 6.278 3.639 6.655 428 HG11 VAL 56 1HG1 VAL 56 4.967 5.679 5.728 429 HG12 VAL 56 2HG1 VAL 56 6.649 5.441 5.250 430 HG13 VAL 56 3HG1 VAL 56 5.346 4.985 4.152 431 HG21 VAL 56 3HG2 VAL 56 3.497 3.659 5.555 432 HG22 VAL 56 1HG2 VAL 56 4.132 2.210 6.334 433 HG23 VAL 56 2HG2 VAL 56 4.039 3.724 7.232 434 H VAL 57 H VAL 57 7.031 2.614 2.416 435 HA VAL 57 HA VAL 57 9.774 3.287 3.204 436 HB VAL 57 HB VAL 57 8.774 2.377 0.503 437 HG11 VAL 57 1HG1 VAL 57 11.518 2.796 1.661 438 HG12 VAL 57 2HG1 VAL 57 11.230 1.806 0.229 439 HG13 VAL 57 3HG1 VAL 57 10.817 3.521 0.214 440 HG21 VAL 57 3HG2 VAL 57 10.332 0.367 1.640 441 HG22 VAL 57 1HG2 VAL 57 9.260 0.900 2.936 442 HG23 VAL 57 2HG2 VAL 57 8.584 0.349 1.403 443 H CYS 58 H CYS 58 10.036 5.434 3.343 444 HA CYS 58 HA CYS 58 8.838 7.148 1.286 445 HB2 CYS 58 1HB CYS 58 8.322 7.846 3.534 446 HB3 CYS 58 2HB CYS 58 10.020 7.788 3.993 447 HG CYS 58 HG CYS 58 9.972 10.385 3.818 448 H GLU 59 H GLU 59 10.218 6.997 -0.431 449 HA GLU 59 HA GLU 59 13.030 7.728 0.055 450 HB2 GLU 59 1HB GLU 59 11.726 5.873 -1.872 451 HB3 GLU 59 2HB GLU 59 13.147 6.747 -2.425 452 HG2 GLU 59 1HG GLU 59 14.425 5.858 -0.540 453 HG3 GLU 59 2HG GLU 59 13.001 4.971 0.000 454 H GLY 60 H GLY 60 13.902 8.544 -2.317 455 HA2 GLY 60 1HA GLY 60 13.357 11.159 -2.584 456 HA3 GLY 60 2HA GLY 60 13.769 10.165 -3.973 457 H THR 61 H THR 61 11.265 11.847 -2.298 458 HA THR 61 HA THR 61 9.037 12.177 -2.740 459 HB THR 61 HB THR 61 8.589 12.851 -5.100 460 HG1 THR 61 1HG THR 61 10.691 12.943 -6.360 461 HG21 THR 61 3HG2 THR 61 10.216 14.083 -3.202 462 HG22 THR 61 1HG2 THR 61 9.436 14.852 -4.584 463 HG23 THR 61 2HG2 THR 61 11.090 14.256 -4.723 464 H MET 62 H MET 62 9.486 9.480 -2.387 465 HA MET 62 HA MET 62 7.416 8.364 -4.111 466 HB2 MET 62 1HB MET 62 9.708 7.811 -5.065 467 HB3 MET 62 2HB MET 62 9.972 6.839 -3.623 468 HG2 MET 62 1HG MET 62 7.702 6.438 -5.556 469 HG3 MET 62 2HG MET 62 9.220 5.545 -5.592 470 HE1 MET 62 3HE MET 62 9.292 3.125 -3.059 471 HE2 MET 62 1HE MET 62 10.198 4.498 -3.695 472 HE3 MET 62 2HE MET 62 9.503 4.574 -2.076 473 H ALA 63 H ALA 63 5.923 7.913 -2.615 474 HA ALA 63 HA ALA 63 6.768 6.646 -0.103 475 HB1 ALA 63 3HB ALA 63 5.010 8.737 -0.589 476 HB2 ALA 63 1HB ALA 63 3.968 7.361 -0.225 477 HB3 ALA 63 2HB ALA 63 5.210 7.857 0.926 478 H MET 64 H MET 64 6.814 4.491 -0.335 479 HA MET 64 HA MET 64 4.619 3.183 -1.785 480 HB2 MET 64 1HB MET 64 7.062 2.753 -2.399 481 HB3 MET 64 2HB MET 64 7.180 1.877 -0.880 482 HG2 MET 64 1HG MET 64 5.566 0.277 -1.590 483 HG3 MET 64 2HG MET 64 5.176 1.226 -3.022 484 HE1 MET 64 3HE MET 64 7.845 -1.477 -1.555 485 HE2 MET 64 1HE MET 64 9.258 -0.751 -2.322 486 HE3 MET 64 2HE MET 64 8.312 0.179 -1.161 487 H LEU 65 H LEU 65 3.544 1.386 -0.869 488 HA LEU 65 HA LEU 65 3.887 1.039 2.029 489 HB2 LEU 65 1HB LEU 65 2.005 2.558 1.618 490 HB3 LEU 65 2HB LEU 65 1.254 1.339 0.590 491 HG LEU 65 HG LEU 65 1.104 -0.147 2.595 492 HD11 LEU 65 1HD1 LEU 65 1.165 1.329 4.774 493 HD12 LEU 65 2HD1 LEU 65 2.348 2.248 3.845 494 HD13 LEU 65 3HD1 LEU 65 2.617 0.535 4.165 495 HD21 LEU 65 3HD2 LEU 65 -0.376 2.226 3.455 496 HD22 LEU 65 1HD2 LEU 65 -0.960 0.634 2.971 497 HD23 LEU 65 2HD2 LEU 65 -0.564 1.838 1.744 498 H VAL 66 H VAL 66 4.763 -0.971 1.972 499 HA VAL 66 HA VAL 66 3.731 -3.034 0.247 500 HB VAL 66 HB VAL 66 5.657 -3.384 2.542 501 HG11 VAL 66 1HG1 VAL 66 5.287 -4.965 0.000 502 HG12 VAL 66 2HG1 VAL 66 6.408 -5.329 1.314 503 HG13 VAL 66 3HG1 VAL 66 4.667 -5.430 1.584 504 HG21 VAL 66 3HG2 VAL 66 7.022 -2.007 1.423 505 HG22 VAL 66 1HG2 VAL 66 7.173 -3.319 0.253 506 HG23 VAL 66 2HG2 VAL 66 6.005 -2.025 -0.017 507 H ILE 67 H ILE 67 2.148 -4.418 0.693 508 HA ILE 67 HA ILE 67 1.183 -4.581 3.469 509 HB ILE 67 HB ILE 67 -0.332 -5.199 0.930 510 HG12 ILE 67 1HG1 ILE 67 -0.972 -2.910 2.747 511 HG13 ILE 67 2HG1 ILE 67 0.340 -2.733 1.586 512 HG21 ILE 67 1HG2 ILE 67 -1.519 -4.823 3.655 513 HG22 ILE 67 2HG2 ILE 67 -2.215 -5.606 2.236 514 HG23 ILE 67 3HG2 ILE 67 -0.917 -6.396 3.131 515 HD11 ILE 67 3HD1 ILE 67 -2.358 -3.670 0.708 516 HD12 ILE 67 1HD1 ILE 67 -2.019 -1.954 0.933 517 HD13 ILE 67 2HD1 ILE 67 -1.084 -2.893 -0.232 518 H ARG 68 H ARG 68 2.823 -6.195 3.919 519 HA ARG 68 HA ARG 68 3.271 -8.569 2.644 520 HB2 ARG 68 1HB ARG 68 3.226 -7.871 5.566 521 HB3 ARG 68 2HB ARG 68 3.607 -9.503 5.035 522 HG2 ARG 68 1HG ARG 68 5.081 -7.063 4.079 523 HG3 ARG 68 2HG ARG 68 5.579 -8.027 5.471 524 HD2 ARG 68 1HD ARG 68 6.208 -9.812 4.184 525 HD3 ARG 68 2HD ARG 68 5.060 -9.429 2.902 526 HE ARG 68 HE ARG 68 7.010 -7.414 3.011 527 HH11 ARG 68 2HH1 ARG 68 6.675 -10.773 2.158 528 HH12 ARG 68 1HH1 ARG 68 7.954 -10.738 0.990 529 HH21 ARG 68 2HH2 ARG 68 8.695 -7.356 1.475 530 HH22 ARG 68 1HH2 ARG 68 9.103 -8.794 0.603 531 H GLY 69 H GLY 69 2.297 -10.538 2.468 532 HA2 GLY 69 1HA GLY 69 0.389 -11.835 2.166 533 HA3 GLY 69 2HA GLY 69 0.463 -11.829 3.921 534 H ALA 70 H ALA 70 -0.918 -10.186 1.120 535 HA ALA 70 HA ALA 70 -2.806 -8.727 2.764 536 HB1 ALA 70 3HB ALA 70 -3.442 -8.647 -0.031 537 HB2 ALA 70 1HB ALA 70 -2.890 -7.349 1.028 538 HB3 ALA 70 2HB ALA 70 -1.716 -8.376 0.204 539 H SER 71 H SER 71 -4.284 -10.044 3.692 540 HA SER 71 HA SER 71 -5.469 -12.244 2.254 541 HB2 SER 71 1HB SER 71 -6.984 -12.119 4.454 542 HB3 SER 71 2HB SER 71 -5.368 -12.824 4.470 543 HG SER 71 HG SER 71 -4.581 -11.039 5.431 544 H LEU 72 H LEU 72 -7.872 -12.477 2.168 545 HA LEU 72 HA LEU 72 -9.057 -10.629 0.540 546 HB2 LEU 72 1HB LEU 72 -10.409 -12.440 2.535 547 HB3 LEU 72 2HB LEU 72 -11.225 -11.615 1.208 548 HG LEU 72 HG LEU 72 -8.953 -13.450 0.595 549 HD11 LEU 72 1HD1 LEU 72 -11.734 -14.289 1.372 550 HD12 LEU 72 2HD1 LEU 72 -10.202 -14.842 2.047 551 HD13 LEU 72 3HD1 LEU 72 -10.655 -15.293 0.403 552 HD21 LEU 72 3HD2 LEU 72 -10.254 -11.937 -1.047 553 HD22 LEU 72 1HD2 LEU 72 -11.537 -13.137 -0.884 554 HD23 LEU 72 2HD2 LEU 72 -9.953 -13.617 -1.493 555 H LYS 73 H LYS 73 -8.693 -10.492 3.977 556 HA LYS 73 HA LYS 73 -10.705 -8.499 4.427 557 HB2 LYS 73 1HB LYS 73 -8.427 -9.545 6.104 558 HB3 LYS 73 2HB LYS 73 -9.501 -8.268 6.658 559 HG2 LYS 73 1HG LYS 73 -11.415 -9.797 6.385 560 HG3 LYS 73 2HG LYS 73 -10.293 -11.078 5.919 561 HD2 LYS 73 1HD LYS 73 -10.532 -11.522 8.158 562 HD3 LYS 73 2HD LYS 73 -9.135 -10.445 8.193 563 HE2 LYS 73 1HE LYS 73 -10.814 -8.555 8.524 564 HE3 LYS 73 2HE LYS 73 -12.000 -9.817 8.853 565 HZ1 LYS 73 3HZ LYS 73 -11.204 -9.284 10.938 566 HZ2 LYS 73 1HZ LYS 73 -9.610 -9.075 10.410 567 HZ3 LYS 73 2HZ LYS 73 -10.261 -10.631 10.541 568 H ASP 74 H ASP 74 -7.190 -8.494 4.024 569 HA ASP 74 HA ASP 74 -6.548 -5.908 4.632 570 HB2 ASP 74 1HB ASP 74 -5.521 -7.720 2.456 571 HB3 ASP 74 2HB ASP 74 -4.841 -6.116 2.720 572 H ALA 75 H ALA 75 -8.264 -7.080 1.818 573 HA ALA 75 HA ALA 75 -8.079 -4.943 0.088 574 HB1 ALA 75 3HB ALA 75 -10.786 -5.930 0.146 575 HB2 ALA 75 1HB ALA 75 -9.542 -6.132 -1.088 576 HB3 ALA 75 2HB ALA 75 -9.629 -7.255 0.271 577 H GLY 76 H GLY 76 -8.581 -2.862 0.249 578 HA2 GLY 76 1HA GLY 76 -11.016 -1.919 1.367 579 HA3 GLY 76 2HA GLY 76 -9.690 -1.657 2.490 580 H GLU 77 H GLU 77 -10.241 0.623 2.197 581 HA GLU 77 HA GLU 77 -9.281 1.736 -0.348 582 HB2 GLU 77 1HB GLU 77 -11.603 2.287 0.819 583 HB3 GLU 77 2HB GLU 77 -10.613 3.435 1.707 584 HG2 GLU 77 1HG GLU 77 -9.811 4.271 -0.545 585 HG3 GLU 77 2HG GLU 77 -11.114 3.314 -1.248 586 H TYR 78 H TYR 78 -7.340 2.640 -0.410 587 HA TYR 78 HA TYR 78 -6.021 3.317 2.124 588 HB2 TYR 78 1HB TYR 78 -4.971 2.583 -0.599 589 HB3 TYR 78 2HB TYR 78 -3.941 3.352 0.603 590 HD1 TYR 78 2HD TYR 78 -5.801 0.307 -0.260 591 HD2 TYR 78 1HD TYR 78 -3.201 2.147 2.561 592 HE1 TYR 78 2HE TYR 78 -5.349 -1.890 0.748 593 HE2 TYR 78 1HE TYR 78 -2.741 -0.045 3.576 594 HH TYR 78 HH TYR 78 -3.834 -2.262 3.744 595 H THR 79 H THR 79 -6.505 5.385 2.598 596 HA THR 79 HA THR 79 -6.385 7.409 0.487 597 HB THR 79 HB THR 79 -7.374 7.573 3.338 598 HG1 THR 79 1HG THR 79 -9.027 8.144 1.186 599 HG21 THR 79 3HG2 THR 79 -8.095 9.834 2.825 600 HG22 THR 79 1HG2 THR 79 -7.420 9.708 1.201 601 HG23 THR 79 2HG2 THR 79 -6.351 9.699 2.604 602 H CYS 80 H CYS 80 -4.449 8.273 0.135 603 HA CYS 80 HA CYS 80 -2.501 8.448 2.292 604 HB2 CYS 80 1HB CYS 80 -2.411 8.571 -0.672 605 HB3 CYS 80 2HB CYS 80 -1.201 9.513 0.191 606 HG CYS 80 HG CYS 80 -0.109 7.348 1.543 607 H GLU 81 H GLU 81 -3.307 10.091 3.591 608 HA GLU 81 HA GLU 81 -3.945 12.672 2.465 609 HB2 GLU 81 1HB GLU 81 -4.884 11.445 4.630 610 HB3 GLU 81 2HB GLU 81 -3.549 12.298 5.394 611 HG2 GLU 81 1HG GLU 81 -4.456 14.407 4.361 612 HG3 GLU 81 2HG GLU 81 -5.884 13.474 3.918 613 H VAL 82 H VAL 82 -2.448 14.102 1.925 614 HA VAL 82 HA VAL 82 0.140 14.047 3.327 615 HB VAL 82 HB VAL 82 -0.073 13.766 0.739 616 HG11 VAL 82 1HG1 VAL 82 -0.396 16.737 1.097 617 HG12 VAL 82 2HG1 VAL 82 0.159 15.994 -0.404 618 HG13 VAL 82 3HG1 VAL 82 -1.451 15.631 0.219 619 HG21 VAL 82 3HG2 VAL 82 1.958 15.797 1.140 620 HG22 VAL 82 1HG2 VAL 82 1.931 14.616 2.449 621 HG23 VAL 82 2HG2 VAL 82 2.135 14.080 0.781 622 H GLU 83 H GLU 83 1.186 16.440 2.875 623 HA GLU 83 HA GLU 83 0.470 18.134 4.770 624 HB2 GLU 83 1HB GLU 83 0.908 20.007 2.856 625 HB3 GLU 83 2HB GLU 83 2.181 19.105 3.665 626 HG2 GLU 83 1HG GLU 83 2.387 17.594 1.856 627 HG3 GLU 83 2HG GLU 83 0.913 18.196 1.100 628 H ALA 84 H ALA 84 -0.775 18.895 1.523 629 HA ALA 84 HA ALA 84 -3.305 19.723 2.792 630 HB1 ALA 84 3HB ALA 84 -2.676 21.758 2.063 631 HB2 ALA 84 1HB ALA 84 -1.557 21.102 0.868 632 HB3 ALA 84 2HB ALA 84 -3.284 21.173 0.515 633 H SER 85 H SER 85 -1.759 18.073 0.134 634 HA SER 85 HA SER 85 -4.235 17.569 -1.265 635 HB2 SER 85 1HB SER 85 -1.825 17.787 -2.257 636 HB3 SER 85 2HB SER 85 -1.684 16.085 -1.814 637 HG SER 85 HG SER 85 -2.519 16.658 -4.007 638 H LYS 86 H LYS 86 -4.326 15.064 -2.021 639 HA LYS 86 HA LYS 86 -3.732 13.074 -0.130 640 HB2 LYS 86 1HB LYS 86 -5.261 13.846 1.419 641 HB3 LYS 86 2HB LYS 86 -6.346 14.481 0.189 642 HG2 LYS 86 1HG LYS 86 -6.945 12.143 -0.405 643 HG3 LYS 86 2HG LYS 86 -5.970 11.597 0.961 644 HD2 LYS 86 1HD LYS 86 -8.020 11.695 1.967 645 HD3 LYS 86 2HD LYS 86 -7.467 13.344 2.266 646 HE2 LYS 86 1HE LYS 86 -9.601 13.689 1.449 647 HE3 LYS 86 2HE LYS 86 -8.617 13.863 -0.004 648 HZ1 LYS 86 3HZ LYS 86 -10.007 12.367 -0.867 649 HZ2 LYS 86 1HZ LYS 86 -10.597 11.879 0.641 650 HZ3 LYS 86 2HZ LYS 86 -9.161 11.217 0.041 651 H SER 87 H SER 87 -4.361 11.016 -0.815 652 HA SER 87 HA SER 87 -5.772 10.927 -3.401 653 HB2 SER 87 1HB SER 87 -3.315 10.560 -3.639 654 HB3 SER 87 2HB SER 87 -3.456 9.158 -2.578 655 HG SER 87 HG SER 87 -4.639 8.114 -4.104 656 H THR 88 H THR 88 -6.633 8.714 -3.905 657 HA THR 88 HA THR 88 -7.278 7.101 -1.562 658 HB THR 88 HB THR 88 -9.479 8.143 -3.349 659 HG1 THR 88 1HG THR 88 -8.779 8.953 -0.704 660 HG21 THR 88 3HG2 THR 88 -9.666 5.898 -2.097 661 HG22 THR 88 1HG2 THR 88 -10.977 7.062 -1.915 662 HG23 THR 88 2HG2 THR 88 -9.772 6.884 -0.639 663 H ALA 89 H ALA 89 -7.560 4.972 -2.017 664 HA ALA 89 HA ALA 89 -7.919 4.150 -4.803 665 HB1 ALA 89 3HB ALA 89 -5.969 3.022 -5.018 666 HB2 ALA 89 1HB ALA 89 -5.417 4.235 -3.862 667 HB3 ALA 89 2HB ALA 89 -5.878 2.628 -3.301 668 H SER 90 H SER 90 -7.844 1.530 -4.712 669 HA SER 90 HA SER 90 -9.258 0.546 -2.365 670 HB2 SER 90 1HB SER 90 -10.506 0.958 -5.039 671 HB3 SER 90 2HB SER 90 -10.926 -0.513 -4.162 672 HG SER 90 HG SER 90 -10.986 1.914 -2.779 673 H LEU 91 H LEU 91 -8.104 -1.187 -1.847 674 HA LEU 91 HA LEU 91 -6.658 -2.707 -3.812 675 HB2 LEU 91 1HB LEU 91 -5.585 -2.469 -1.736 676 HB3 LEU 91 2HB LEU 91 -7.031 -2.936 -0.843 677 HG LEU 91 HG LEU 91 -6.756 -5.247 -1.635 678 HD11 LEU 91 1HD1 LEU 91 -4.208 -4.213 -2.871 679 HD12 LEU 91 2HD1 LEU 91 -5.627 -4.796 -3.741 680 HD13 LEU 91 3HD1 LEU 91 -4.682 -5.908 -2.751 681 HD21 LEU 91 3HD2 LEU 91 -4.614 -5.711 -0.382 682 HD22 LEU 91 1HD2 LEU 91 -5.831 -4.780 0.492 683 HD23 LEU 91 2HD2 LEU 91 -4.435 -3.964 -0.212 684 H HIS 92 H HIS 92 -7.224 -4.570 -4.763 685 HA HIS 92 HA HIS 92 -9.740 -5.837 -3.894 686 HB2 HIS 92 1HB HIS 92 -8.567 -5.763 -6.682 687 HB3 HIS 92 2HB HIS 92 -10.090 -6.516 -6.219 688 HD1 HIS 92 1HD HIS 92 -11.967 -4.792 -5.318 689 HD2 HIS 92 2HD HIS 92 -8.763 -3.138 -7.381 690 HE1 HIS 92 1HE HIS 92 -12.719 -2.489 -5.993 691 HE2 HIS 92 2HE HIS 92 -10.796 -1.539 -7.313 692 H VAL 93 H VAL 93 -9.711 -7.946 -3.395 693 HA VAL 93 HA VAL 93 -7.451 -9.597 -4.260 694 HB VAL 93 HB VAL 93 -6.613 -9.073 -2.161 695 HG11 VAL 93 1HG1 VAL 93 -8.048 -9.016 -0.104 696 HG12 VAL 93 2HG1 VAL 93 -8.393 -7.751 -1.286 697 HG13 VAL 93 3HG1 VAL 93 -9.453 -9.156 -1.161 698 HG21 VAL 93 3HG2 VAL 93 -8.345 -11.436 -1.472 699 HG22 VAL 93 1HG2 VAL 93 -6.957 -11.545 -2.555 700 HG23 VAL 93 2HG2 VAL 93 -6.729 -11.059 -0.875 701 H GLU 94 H GLU 94 -8.002 -11.644 -4.761 702 HA GLU 94 HA GLU 94 -10.508 -12.759 -3.769 703 HB2 GLU 94 1HB GLU 94 -9.935 -12.073 -6.619 704 HB3 GLU 94 2HB GLU 94 -10.861 -13.527 -6.274 705 HG2 GLU 94 1HG GLU 94 -11.613 -10.853 -5.143 706 HG3 GLU 94 2HG GLU 94 -12.158 -11.393 -6.730 707 H GLU 95 H GLU 95 -10.350 -14.876 -3.348 708 HA GLU 95 HA GLU 95 -7.833 -16.192 -3.718 709 HB2 GLU 95 1HB GLU 95 -9.363 -16.473 -1.725 710 HB3 GLU 95 2HB GLU 95 -10.415 -17.429 -2.760 711 HG2 GLU 95 1HG GLU 95 -8.863 -19.151 -2.958 712 HG3 GLU 95 2HG GLU 95 -7.526 -18.132 -2.427 713 H LYS 96 H LYS 96 -7.807 -18.507 -4.551 714 HA LYS 96 HA LYS 96 -9.064 -18.517 -7.194 715 HB2 LYS 96 1HB LYS 96 -6.628 -19.767 -6.017 716 HB3 LYS 96 2HB LYS 96 -7.411 -20.593 -7.358 717 HG2 LYS 96 1HG LYS 96 -7.168 -18.621 -8.748 718 HG3 LYS 96 2HG LYS 96 -6.445 -17.740 -7.400 719 HD2 LYS 96 1HD LYS 96 -4.517 -19.107 -7.416 720 HD3 LYS 96 2HD LYS 96 -5.281 -20.301 -8.469 721 HE2 LYS 96 1HE LYS 96 -3.884 -19.146 -9.918 722 HE3 LYS 96 2HE LYS 96 -5.443 -18.360 -10.164 723 HZ1 LYS 96 3HZ LYS 96 -4.627 -16.436 -9.456 724 HZ2 LYS 96 1HZ LYS 96 -3.085 -17.130 -9.519 725 HZ3 LYS 96 2HZ LYS 96 -3.953 -17.129 -8.067 726 H ALA 97 H ALA 97 -10.783 -19.077 -5.080 727 HA ALA 97 HA ALA 97 -12.204 -20.649 -4.202 728 HB1 ALA 97 3HB ALA 97 -11.949 -21.360 -7.101 729 HB2 ALA 97 1HB ALA 97 -13.024 -22.261 -6.032 730 HB3 ALA 97 2HB ALA 97 -13.264 -20.530 -6.270 731 H SER 98 H SER 98 -9.607 -21.246 -3.473 732 HA SER 98 HA SER 98 -9.359 -24.146 -3.858 733 HB2 SER 98 1HB SER 98 -7.068 -23.874 -2.970 734 HB3 SER 98 2HB SER 98 -7.348 -22.851 -4.378 735 HG SER 98 HG SER 98 -8.028 -21.344 -2.420 736 H GLY 99 H GLY 99 -10.815 -24.976 -2.404 737 HA2 GLY 99 1HA GLY 99 -11.592 -25.693 -0.367 738 HA3 GLY 99 2HA GLY 99 -10.004 -25.280 0.264 739 HA PRO 100 HA PRO 100 -13.510 -22.214 1.511 740 HB2 PRO 100 1HB PRO 100 -14.501 -23.406 3.740 741 HB3 PRO 100 2HB PRO 100 -15.187 -23.658 2.130 742 HG2 PRO 100 1HG PRO 100 -13.300 -25.392 3.678 743 HG3 PRO 100 2HG PRO 100 -14.718 -25.858 2.720 744 HD2 PRO 100 1HD PRO 100 -12.188 -26.084 1.782 745 HD3 PRO 100 2HD PRO 100 -13.570 -25.729 0.726 746 H SER 101 H SER 101 -12.277 -20.645 2.346 747 HA SER 101 HA SER 101 -10.057 -20.803 3.903 748 HB2 SER 101 1HB SER 101 -10.730 -18.690 2.966 749 HB3 SER 101 2HB SER 101 -12.201 -18.669 3.939 750 HG SER 101 HG SER 101 -9.575 -18.100 4.659 751 H SER 102 H SER 102 -9.614 -20.499 6.149 752 HA SER 102 HA SER 102 -11.819 -21.205 7.959 753 HB2 SER 102 1HB SER 102 -10.616 -23.270 7.558 754 HB3 SER 102 2HB SER 102 -9.075 -22.481 7.895 755 HG SER 102 HG SER 102 -9.473 -23.245 9.831 756 H GLY 103 H GLY 103 -11.975 -19.182 8.854 757 HA2 GLY 103 1HA GLY 103 -9.639 -17.739 9.733 758 HA3 GLY 103 2HA GLY 103 -11.313 -17.264 9.974 Start of MODEL 15 1 H1 GLY 1 H GLY 1 18.766 26.895 -11.383 2 HA2 GLY 1 1HA GLY 1 16.891 28.575 -10.483 3 HA3 GLY 1 2HA GLY 1 15.952 27.595 -11.600 4 H SER 2 H SER 2 16.496 27.958 -8.469 5 HA SER 2 HA SER 2 16.329 25.069 -7.905 6 HB2 SER 2 1HB SER 2 18.368 26.479 -7.046 7 HB3 SER 2 2HB SER 2 17.222 27.040 -5.828 8 HG SER 2 HG SER 2 17.898 25.269 -4.870 9 H SER 3 H SER 3 14.215 24.669 -7.661 10 HA SER 3 HA SER 3 12.363 26.554 -6.597 11 HB2 SER 3 1HB SER 3 12.148 23.604 -7.211 12 HB3 SER 3 2HB SER 3 10.797 24.556 -6.598 13 HG SER 3 HG SER 3 11.473 25.992 -8.509 14 H GLY 4 H GLY 4 10.860 25.851 -4.747 15 HA2 GLY 4 1HA GLY 4 11.173 24.238 -2.697 16 HA3 GLY 4 2HA GLY 4 12.579 25.263 -2.450 17 H SER 5 H SER 5 11.793 27.747 -2.863 18 HA SER 5 HA SER 5 10.636 28.650 -0.611 19 HB2 SER 5 1HB SER 5 11.552 29.949 -2.688 20 HB3 SER 5 2HB SER 5 9.858 30.005 -3.175 21 HG SER 5 HG SER 5 9.683 30.748 -0.779 22 H SER 6 H SER 6 8.763 28.198 -3.616 23 HA SER 6 HA SER 6 6.370 27.797 -1.941 24 HB2 SER 6 1HB SER 6 5.030 28.767 -3.682 25 HB3 SER 6 2HB SER 6 6.379 29.864 -3.387 26 HG SER 6 HG SER 6 5.791 28.324 -5.612 27 H GLY 7 H GLY 7 8.135 25.689 -2.560 28 HA2 GLY 7 1HA GLY 7 6.728 24.188 -4.663 29 HA3 GLY 7 2HA GLY 7 8.309 23.789 -4.008 30 HA PRO 8 HA PRO 8 4.727 22.284 -1.050 31 HB2 PRO 8 1HB PRO 8 2.585 21.384 -2.453 32 HB3 PRO 8 2HB PRO 8 2.708 23.038 -1.844 33 HG2 PRO 8 1HG PRO 8 3.247 21.987 -4.594 34 HG3 PRO 8 2HG PRO 8 2.391 23.462 -4.108 35 HD2 PRO 8 1HD PRO 8 4.961 23.483 -4.962 36 HD3 PRO 8 2HD PRO 8 4.346 24.631 -3.755 37 H ALA 9 H ALA 9 3.745 20.008 -0.858 38 HA ALA 9 HA ALA 9 5.435 18.137 -2.384 39 HB1 ALA 9 3HB ALA 9 5.744 18.412 0.158 40 HB2 ALA 9 1HB ALA 9 4.243 17.496 0.289 41 HB3 ALA 9 2HB ALA 9 5.647 16.781 -0.506 42 H ALA 10 H ALA 10 2.531 19.247 -2.676 43 HA ALA 10 HA ALA 10 0.557 17.454 -2.313 44 HB1 ALA 10 3HB ALA 10 1.018 19.596 -4.101 45 HB2 ALA 10 1HB ALA 10 0.334 18.263 -5.032 46 HB3 ALA 10 2HB ALA 10 -0.521 18.884 -3.619 47 H ILE 11 H ILE 11 -0.406 15.774 -3.636 48 HA ILE 11 HA ILE 11 1.643 14.014 -4.751 49 HB ILE 11 HB ILE 11 -1.238 13.435 -4.050 50 HG12 ILE 11 1HG1 ILE 11 1.152 12.323 -2.620 51 HG13 ILE 11 2HG1 ILE 11 0.568 13.935 -2.218 52 HG21 ILE 11 1HG2 ILE 11 0.690 11.977 -5.611 53 HG22 ILE 11 2HG2 ILE 11 0.235 11.065 -4.173 54 HG23 ILE 11 3HG2 ILE 11 -1.007 11.612 -5.299 55 HD11 ILE 11 3HD1 ILE 11 -1.398 13.145 -1.332 56 HD12 ILE 11 1HD1 ILE 11 -1.338 11.645 -2.257 57 HD13 ILE 11 2HD1 ILE 11 -0.261 11.875 -0.880 58 H ILE 12 H ILE 12 1.997 14.208 -6.861 59 HA ILE 12 HA ILE 12 -0.067 15.147 -8.656 60 HB ILE 12 HB ILE 12 1.851 14.584 -10.373 61 HG12 ILE 12 1HG1 ILE 12 3.085 13.465 -8.327 62 HG13 ILE 12 2HG1 ILE 12 3.993 14.354 -9.545 63 HG21 ILE 12 1HG2 ILE 12 2.943 16.831 -9.599 64 HG22 ILE 12 2HG2 ILE 12 1.288 16.806 -10.205 65 HG23 ILE 12 3HG2 ILE 12 1.590 16.864 -8.469 66 HD11 ILE 12 3HD1 ILE 12 3.023 15.933 -7.259 67 HD12 ILE 12 1HD1 ILE 12 4.265 14.732 -6.907 68 HD13 ILE 12 2HD1 ILE 12 4.566 15.986 -8.110 69 H LYS 13 H LYS 13 1.632 12.143 -7.964 70 HA LYS 13 HA LYS 13 -0.040 10.766 -9.956 71 HB2 LYS 13 1HB LYS 13 2.468 9.766 -8.596 72 HB3 LYS 13 2HB LYS 13 1.592 8.963 -9.892 73 HG2 LYS 13 1HG LYS 13 2.076 11.038 -11.285 74 HG3 LYS 13 2HG LYS 13 3.230 11.471 -10.022 75 HD2 LYS 13 1HD LYS 13 4.489 9.471 -10.393 76 HD3 LYS 13 2HD LYS 13 3.255 8.833 -11.482 77 HE2 LYS 13 1HE LYS 13 3.859 10.235 -13.202 78 HE3 LYS 13 2HE LYS 13 4.525 11.454 -12.117 79 HZ1 LYS 13 3HZ LYS 13 5.846 8.843 -12.242 80 HZ2 LYS 13 1HZ LYS 13 6.509 10.376 -11.971 81 HZ3 LYS 13 2HZ LYS 13 6.070 9.908 -13.536 82 HA PRO 14 HA PRO 14 -2.090 9.531 -6.076 83 HB2 PRO 14 1HB PRO 14 -4.474 9.012 -7.265 84 HB3 PRO 14 2HB PRO 14 -3.975 10.637 -6.782 85 HG2 PRO 14 1HG PRO 14 -3.879 9.350 -9.483 86 HG3 PRO 14 2HG PRO 14 -4.381 10.993 -9.044 87 HD2 PRO 14 1HD PRO 14 -1.936 10.442 -10.069 88 HD3 PRO 14 2HD PRO 14 -2.211 11.755 -8.906 89 H LEU 15 H LEU 15 -2.853 7.504 -5.346 90 HA LEU 15 HA LEU 15 -1.611 5.258 -6.469 91 HB2 LEU 15 1HB LEU 15 -3.999 5.177 -4.643 92 HB3 LEU 15 2HB LEU 15 -2.725 3.972 -4.811 93 HG LEU 15 HG LEU 15 -1.982 6.697 -3.864 94 HD11 LEU 15 1HD1 LEU 15 -2.413 5.454 -1.517 95 HD12 LEU 15 2HD1 LEU 15 -3.770 4.829 -2.454 96 HD13 LEU 15 3HD1 LEU 15 -3.559 6.569 -2.261 97 HD21 LEU 15 3HD2 LEU 15 -0.682 4.263 -4.216 98 HD22 LEU 15 1HD2 LEU 15 -0.910 4.404 -2.472 99 HD23 LEU 15 2HD2 LEU 15 -0.071 5.678 -3.358 100 H GLU 16 H GLU 16 -2.989 3.171 -6.878 101 HA GLU 16 HA GLU 16 -5.361 3.738 -8.483 102 HB2 GLU 16 1HB GLU 16 -2.870 2.401 -9.543 103 HB3 GLU 16 2HB GLU 16 -4.437 2.294 -10.335 104 HG2 GLU 16 1HG GLU 16 -4.431 4.520 -10.944 105 HG3 GLU 16 2HG GLU 16 -3.264 4.964 -9.700 106 H ASP 17 H ASP 17 -6.776 2.017 -8.678 107 HA ASP 17 HA ASP 17 -6.956 0.193 -6.630 108 HB2 ASP 17 1HB ASP 17 -8.016 -0.413 -9.385 109 HB3 ASP 17 2HB ASP 17 -8.714 -0.842 -7.825 110 H GLN 18 H GLN 18 -5.859 -1.567 -6.089 111 HA GLN 18 HA GLN 18 -4.126 -2.817 -8.097 112 HB2 GLN 18 1HB GLN 18 -4.084 -3.211 -5.103 113 HB3 GLN 18 2HB GLN 18 -2.858 -3.718 -6.257 114 HG2 GLN 18 1HG GLN 18 -3.593 -0.844 -5.776 115 HG3 GLN 18 2HG GLN 18 -2.301 -1.681 -4.917 116 HE21 GLN 18 1HE2 GLN 18 -1.741 0.554 -6.353 117 HE22 GLN 18 2HE2 GLN 18 -0.827 0.144 -7.760 118 H TRP 19 H TRP 19 -4.107 -5.048 -8.431 119 HA TRP 19 HA TRP 19 -6.367 -6.536 -7.274 120 HB2 TRP 19 1HB TRP 19 -5.562 -6.266 -10.153 121 HB3 TRP 19 2HB TRP 19 -6.389 -7.718 -9.596 122 HD1 TRP 19 HD TRP 19 -8.916 -7.354 -8.594 123 HE1 TRP 19 1HE TRP 19 -10.691 -5.590 -9.195 124 HE3 TRP 19 3HE TRP 19 -5.901 -3.912 -10.874 125 HZ2 TRP 19 2HZ TRP 19 -10.799 -3.073 -10.468 126 HZ3 TRP 19 3HZ TRP 19 -6.919 -1.853 -11.757 127 HH2 TRP 19 HH TRP 19 -9.318 -1.444 -11.557 128 H VAL 20 H VAL 20 -5.238 -7.798 -5.877 129 HA VAL 20 HA VAL 20 -3.183 -9.555 -7.054 130 HB VAL 20 HB VAL 20 -2.007 -9.607 -4.940 131 HG11 VAL 20 1HG1 VAL 20 -0.850 -7.777 -5.469 132 HG12 VAL 20 2HG1 VAL 20 -2.104 -7.447 -6.665 133 HG13 VAL 20 3HG1 VAL 20 -2.198 -6.715 -5.063 134 HG21 VAL 20 3HG2 VAL 20 -4.003 -7.588 -3.923 135 HG22 VAL 20 1HG2 VAL 20 -4.019 -9.303 -3.511 136 HG23 VAL 20 2HG2 VAL 20 -2.654 -8.294 -3.033 137 H ALA 21 H ALA 21 -2.807 -11.430 -5.275 138 HA ALA 21 HA ALA 21 -5.468 -12.623 -4.889 139 HB1 ALA 21 3HB ALA 21 -3.549 -14.628 -4.593 140 HB2 ALA 21 1HB ALA 21 -4.603 -14.353 -5.981 141 HB3 ALA 21 2HB ALA 21 -2.989 -13.641 -5.943 142 HA PRO 22 HA PRO 22 -5.047 -12.852 -0.528 143 HB2 PRO 22 1HB PRO 22 -5.983 -15.335 0.047 144 HB3 PRO 22 2HB PRO 22 -7.030 -14.012 -0.480 145 HG2 PRO 22 1HG PRO 22 -5.894 -16.278 -2.073 146 HG3 PRO 22 2HG PRO 22 -7.531 -15.598 -2.105 147 HD2 PRO 22 1HD PRO 22 -5.664 -14.990 -3.970 148 HD3 PRO 22 2HD PRO 22 -6.908 -13.834 -3.452 149 H GLY 23 H GLY 23 -2.742 -12.772 -0.397 150 HA2 GLY 23 1HA GLY 23 -1.338 -14.277 1.180 151 HA3 GLY 23 2HA GLY 23 -1.380 -15.369 -0.196 152 H GLU 24 H GLU 24 -1.370 -12.659 -1.796 153 HA GLU 24 HA GLU 24 1.527 -12.641 -2.084 154 HB2 GLU 24 1HB GLU 24 -0.403 -11.008 -3.713 155 HB3 GLU 24 2HB GLU 24 1.198 -11.580 -4.161 156 HG2 GLU 24 1HG GLU 24 0.051 -13.938 -3.825 157 HG3 GLU 24 2HG GLU 24 -1.402 -13.003 -4.175 158 H ASP 25 H ASP 25 2.484 -10.389 -2.599 159 HA ASP 25 HA ASP 25 1.732 -8.620 -0.382 160 HB2 ASP 25 1HB ASP 25 4.026 -7.600 -0.856 161 HB3 ASP 25 2HB ASP 25 4.007 -9.233 -0.196 162 H VAL 26 H VAL 26 1.422 -6.414 -0.678 163 HA VAL 26 HA VAL 26 1.020 -5.575 -3.476 164 HB VAL 26 HB VAL 26 -0.544 -4.810 -1.011 165 HG11 VAL 26 1HG1 VAL 26 -0.146 -3.384 -3.531 166 HG12 VAL 26 2HG1 VAL 26 -1.842 -3.654 -3.123 167 HG13 VAL 26 3HG1 VAL 26 -0.785 -2.811 -1.991 168 HG21 VAL 26 3HG2 VAL 26 -0.871 -6.865 -2.888 169 HG22 VAL 26 1HG2 VAL 26 -2.027 -6.330 -1.668 170 HG23 VAL 26 2HG2 VAL 26 -2.080 -5.647 -3.293 171 H GLU 27 H GLU 27 1.763 -3.590 -4.115 172 HA GLU 27 HA GLU 27 3.203 -1.994 -2.104 173 HB2 GLU 27 1HB GLU 27 4.127 -2.646 -4.908 174 HB3 GLU 27 2HB GLU 27 4.924 -1.514 -3.824 175 HG2 GLU 27 1HG GLU 27 5.450 -3.282 -2.283 176 HG3 GLU 27 2HG GLU 27 4.529 -4.439 -3.241 177 H LEU 28 H LEU 28 1.909 -0.261 -1.902 178 HA LEU 28 HA LEU 28 0.714 0.948 -4.272 179 HB2 LEU 28 1HB LEU 28 0.417 1.708 -1.371 180 HB3 LEU 28 2HB LEU 28 -0.540 2.322 -2.717 181 HG LEU 28 HG LEU 28 -0.549 -0.608 -2.152 182 HD11 LEU 28 1HD1 LEU 28 -2.267 1.380 -0.677 183 HD12 LEU 28 2HD1 LEU 28 -0.895 0.525 0.026 184 HD13 LEU 28 3HD1 LEU 28 -2.304 -0.377 -0.531 185 HD21 LEU 28 3HD2 LEU 28 -2.585 -0.583 -3.256 186 HD22 LEU 28 1HD2 LEU 28 -1.664 0.644 -4.127 187 HD23 LEU 28 2HD2 LEU 28 -2.861 1.128 -2.925 188 H ARG 29 H ARG 29 2.455 1.914 -5.297 189 HA ARG 29 HA ARG 29 4.074 3.829 -3.811 190 HB2 ARG 29 1HB ARG 29 4.222 2.835 -6.660 191 HB3 ARG 29 2HB ARG 29 5.307 4.043 -5.985 192 HG2 ARG 29 1HG ARG 29 6.133 2.440 -4.367 193 HG3 ARG 29 2HG ARG 29 4.999 1.227 -4.965 194 HD2 ARG 29 1HD ARG 29 7.160 2.525 -6.620 195 HD3 ARG 29 2HD ARG 29 7.305 0.951 -5.840 196 HE ARG 29 HE ARG 29 5.035 0.775 -7.357 197 HH11 ARG 29 2HH1 ARG 29 8.377 1.532 -7.970 198 HH12 ARG 29 1HH1 ARG 29 8.357 0.910 -9.586 199 HH21 ARG 29 2HH2 ARG 29 4.996 -0.048 -9.483 200 HH22 ARG 29 1HH2 ARG 29 6.433 0.012 -10.447 201 H CYS 30 H CYS 30 4.330 6.019 -4.509 202 HA CYS 30 HA CYS 30 2.342 7.096 -6.338 203 HB2 CYS 30 1HB CYS 30 1.203 8.435 -4.833 204 HB3 CYS 30 2HB CYS 30 1.469 6.987 -3.870 205 HG CYS 30 HG CYS 30 1.855 9.149 -2.190 206 H GLU 31 H GLU 31 2.612 9.714 -6.072 207 HA GLU 31 HA GLU 31 5.504 10.256 -6.091 208 HB2 GLU 31 1HB GLU 31 4.445 10.002 -8.404 209 HB3 GLU 31 2HB GLU 31 3.586 11.496 -8.056 210 HG2 GLU 31 1HG GLU 31 5.416 12.236 -9.237 211 HG3 GLU 31 2HG GLU 31 5.930 12.458 -7.566 212 H LEU 32 H LEU 32 6.102 12.448 -5.661 213 HA LEU 32 HA LEU 32 4.005 14.178 -4.583 214 HB2 LEU 32 1HB LEU 32 6.514 13.840 -3.006 215 HB3 LEU 32 2HB LEU 32 4.931 14.412 -2.483 216 HG LEU 32 HG LEU 32 5.377 11.544 -3.249 217 HD11 LEU 32 1HD1 LEU 32 5.429 12.260 -0.390 218 HD12 LEU 32 2HD1 LEU 32 6.880 12.646 -1.314 219 HD13 LEU 32 3HD1 LEU 32 6.284 10.987 -1.262 220 HD21 LEU 32 3HD2 LEU 32 3.551 11.696 -1.209 221 HD22 LEU 32 1HD2 LEU 32 3.166 11.590 -2.927 222 HD23 LEU 32 2HD2 LEU 32 3.222 13.163 -2.132 223 H SER 33 H SER 33 4.366 16.318 -4.887 224 HA SER 33 HA SER 33 6.204 17.172 -6.798 225 HB2 SER 33 1HB SER 33 4.206 18.459 -6.350 226 HB3 SER 33 2HB SER 33 4.722 18.760 -4.691 227 HG SER 33 HG SER 33 6.242 19.584 -6.931 228 H ARG 34 H ARG 34 6.638 16.560 -3.468 229 HA ARG 34 HA ARG 34 9.374 17.591 -3.636 230 HB2 ARG 34 1HB ARG 34 8.225 19.343 -2.471 231 HB3 ARG 34 2HB ARG 34 7.408 18.189 -1.425 232 HG2 ARG 34 1HG ARG 34 9.240 17.876 -0.102 233 HG3 ARG 34 2HG ARG 34 10.377 18.248 -1.400 234 HD2 ARG 34 1HD ARG 34 9.485 20.636 -1.256 235 HD3 ARG 34 2HD ARG 34 8.755 20.144 0.271 236 HE ARG 34 HE ARG 34 11.404 19.412 0.435 237 HH11 ARG 34 2HH1 ARG 34 9.617 22.364 -0.029 238 HH12 ARG 34 1HH1 ARG 34 10.813 23.361 0.731 239 HH21 ARG 34 2HH2 ARG 34 12.987 20.714 1.437 240 HH22 ARG 34 1HH2 ARG 34 12.730 22.422 1.563 241 H ALA 35 H ALA 35 10.857 16.576 -2.190 242 HA ALA 35 HA ALA 35 10.044 13.855 -1.500 243 HB1 ALA 35 3HB ALA 35 12.045 13.318 -2.287 244 HB2 ALA 35 1HB ALA 35 12.415 15.023 -2.544 245 HB3 ALA 35 2HB ALA 35 12.803 14.258 -1.002 246 H GLY 36 H GLY 36 11.376 12.987 0.500 247 HA2 GLY 36 1HA GLY 36 11.397 12.931 2.800 248 HA3 GLY 36 2HA GLY 36 12.086 14.542 2.656 249 H THR 37 H THR 37 8.860 13.735 1.561 250 HA THR 37 HA THR 37 7.787 15.607 3.545 251 HB THR 37 HB THR 37 6.538 14.517 1.016 252 HG1 THR 37 1HG THR 37 8.264 16.136 0.841 253 HG21 THR 37 3HG2 THR 37 4.642 15.816 1.428 254 HG22 THR 37 1HG2 THR 37 5.453 16.779 2.662 255 HG23 THR 37 2HG2 THR 37 5.001 15.109 3.004 256 HA PRO 38 HA PRO 38 5.975 12.323 5.869 257 HB2 PRO 38 1HB PRO 38 4.116 13.776 7.212 258 HB3 PRO 38 2HB PRO 38 5.841 13.832 7.596 259 HG2 PRO 38 1HG PRO 38 4.197 15.739 5.977 260 HG3 PRO 38 2HG PRO 38 5.441 16.087 7.191 261 HD2 PRO 38 1HD PRO 38 5.932 16.197 4.530 262 HD3 PRO 38 2HD PRO 38 7.169 15.717 5.710 263 H VAL 39 H VAL 39 4.251 10.944 5.746 264 HA VAL 39 HA VAL 39 1.955 11.783 4.103 265 HB VAL 39 HB VAL 39 3.678 10.225 2.958 266 HG11 VAL 39 1HG1 VAL 39 3.869 8.694 4.902 267 HG12 VAL 39 2HG1 VAL 39 2.205 8.182 4.615 268 HG13 VAL 39 3HG1 VAL 39 3.446 7.873 3.400 269 HG21 VAL 39 3HG2 VAL 39 1.015 8.959 2.806 270 HG22 VAL 39 1HG2 VAL 39 1.068 10.701 2.532 271 HG23 VAL 39 2HG2 VAL 39 2.033 9.621 1.527 272 H HIS 40 H HIS 40 0.016 10.445 4.423 273 HA HIS 40 HA HIS 40 -0.081 9.147 7.059 274 HB2 HIS 40 1HB HIS 40 -1.021 11.606 6.857 275 HB3 HIS 40 2HB HIS 40 -2.411 10.787 6.151 276 HD1 HIS 40 1HD HIS 40 -2.515 12.304 8.882 277 HD2 HIS 40 2HD HIS 40 -1.998 8.206 8.435 278 HE1 HIS 40 1HE HIS 40 -3.286 11.288 11.050 279 HE2 HIS 40 2HE HIS 40 -2.884 8.816 10.787 280 H TRP 41 H TRP 41 -0.563 7.093 6.662 281 HA TRP 41 HA TRP 41 -2.251 6.396 4.391 282 HB2 TRP 41 1HB TRP 41 -0.669 4.685 6.319 283 HB3 TRP 41 2HB TRP 41 -1.628 4.050 4.985 284 HD1 TRP 41 HD TRP 41 1.732 5.535 5.779 285 HE1 TRP 41 1HE TRP 41 3.153 5.651 3.636 286 HE3 TRP 41 3HE TRP 41 -1.892 4.448 2.340 287 HZ2 TRP 41 2HZ TRP 41 2.787 5.325 0.856 288 HZ3 TRP 41 3HZ TRP 41 -1.274 4.370 -0.040 289 HH2 TRP 41 HH TRP 41 1.017 4.801 -0.765 290 H LEU 42 H LEU 42 -4.374 6.510 4.743 291 HA LEU 42 HA LEU 42 -5.426 5.636 7.346 292 HB2 LEU 42 1HB LEU 42 -6.808 7.249 5.208 293 HB3 LEU 42 2HB LEU 42 -7.417 6.902 6.826 294 HG LEU 42 HG LEU 42 -4.844 8.380 6.572 295 HD11 LEU 42 1HD1 LEU 42 -7.512 9.389 5.735 296 HD12 LEU 42 2HD1 LEU 42 -5.908 9.777 5.114 297 HD13 LEU 42 3HD1 LEU 42 -6.451 10.467 6.643 298 HD21 LEU 42 3HD2 LEU 42 -5.680 9.463 8.594 299 HD22 LEU 42 1HD2 LEU 42 -5.686 7.707 8.762 300 HD23 LEU 42 2HD2 LEU 42 -7.194 8.569 8.455 301 H LYS 43 H LYS 43 -6.525 3.795 7.480 302 HA LYS 43 HA LYS 43 -7.412 2.518 4.980 303 HB2 LYS 43 1HB LYS 43 -5.727 1.211 6.117 304 HB3 LYS 43 2HB LYS 43 -6.615 1.306 7.631 305 HG2 LYS 43 1HG LYS 43 -7.162 -0.801 6.921 306 HG3 LYS 43 2HG LYS 43 -8.506 0.137 6.266 307 HD2 LYS 43 1HD LYS 43 -7.780 -0.077 4.106 308 HD3 LYS 43 2HD LYS 43 -6.083 -0.206 4.575 309 HE2 LYS 43 1HE LYS 43 -6.727 -2.341 3.774 310 HE3 LYS 43 2HE LYS 43 -6.639 -2.470 5.530 311 HZ1 LYS 43 3HZ LYS 43 -8.823 -3.000 3.853 312 HZ2 LYS 43 1HZ LYS 43 -9.236 -1.704 4.858 313 HZ3 LYS 43 2HZ LYS 43 -8.724 -3.167 5.533 314 H ASP 44 H ASP 44 -9.503 3.035 4.711 315 HA ASP 44 HA ASP 44 -11.745 3.188 5.072 316 HB2 ASP 44 1HB ASP 44 -11.112 0.718 5.796 317 HB3 ASP 44 2HB ASP 44 -11.580 1.310 7.388 318 H ARG 45 H ARG 45 -10.323 5.208 6.235 319 HA ARG 45 HA ARG 45 -10.619 6.943 7.681 320 HB2 ARG 45 1HB ARG 45 -12.978 5.422 8.794 321 HB3 ARG 45 2HB ARG 45 -12.669 7.149 8.912 322 HG2 ARG 45 1HG ARG 45 -12.996 5.843 6.243 323 HG3 ARG 45 2HG ARG 45 -14.402 6.296 7.209 324 HD2 ARG 45 1HD ARG 45 -12.184 8.182 6.425 325 HD3 ARG 45 2HD ARG 45 -13.712 8.024 5.560 326 HE ARG 45 HE ARG 45 -14.805 9.081 7.328 327 HH11 ARG 45 2HH1 ARG 45 -11.420 8.628 8.003 328 HH12 ARG 45 1HH1 ARG 45 -11.404 9.731 9.338 329 HH21 ARG 45 2HH2 ARG 45 -14.798 10.536 9.084 330 HH22 ARG 45 1HH2 ARG 45 -13.327 10.816 9.953 331 H LYS 46 H LYS 46 -8.779 4.997 8.328 332 HA LYS 46 HA LYS 46 -8.686 5.290 11.215 333 HB2 LYS 46 1HB LYS 46 -8.539 2.579 9.882 334 HB3 LYS 46 2HB LYS 46 -8.157 2.893 11.570 335 HG2 LYS 46 1HG LYS 46 -10.843 3.496 10.367 336 HG3 LYS 46 2HG LYS 46 -10.441 1.944 11.105 337 HD2 LYS 46 1HD LYS 46 -9.807 3.213 13.181 338 HD3 LYS 46 2HD LYS 46 -10.488 4.654 12.423 339 HE2 LYS 46 1HE LYS 46 -12.660 3.657 12.328 340 HE3 LYS 46 2HE LYS 46 -12.024 2.095 12.840 341 HZ1 LYS 46 3HZ LYS 46 -13.095 3.204 14.675 342 HZ2 LYS 46 1HZ LYS 46 -12.116 4.570 14.479 343 HZ3 LYS 46 2HZ LYS 46 -11.432 3.105 14.974 344 H ALA 47 H ALA 47 -6.756 6.134 11.599 345 HA ALA 47 HA ALA 47 -4.641 6.274 9.807 346 HB1 ALA 47 3HB ALA 47 -4.872 7.765 11.726 347 HB2 ALA 47 1HB ALA 47 -4.513 6.426 12.817 348 HB3 ALA 47 2HB ALA 47 -3.280 7.007 11.697 349 H ILE 48 H ILE 48 -3.250 4.808 9.092 350 HA ILE 48 HA ILE 48 -3.073 2.221 10.389 351 HB ILE 48 HB ILE 48 -1.641 3.168 7.906 352 HG12 ILE 48 1HG1 ILE 48 -4.226 1.609 8.099 353 HG13 ILE 48 2HG1 ILE 48 -4.133 3.331 7.747 354 HG21 ILE 48 1HG2 ILE 48 -1.254 0.897 9.430 355 HG22 ILE 48 2HG2 ILE 48 -2.296 0.350 8.118 356 HG23 ILE 48 3HG2 ILE 48 -0.756 1.127 7.754 357 HD11 ILE 48 3HD1 ILE 48 -3.706 1.036 6.011 358 HD12 ILE 48 1HD1 ILE 48 -4.129 2.701 5.614 359 HD13 ILE 48 2HD1 ILE 48 -2.443 2.260 5.886 360 H ARG 49 H ARG 49 -1.248 1.325 11.293 361 HA ARG 49 HA ARG 49 0.906 3.227 11.921 362 HB2 ARG 49 1HB ARG 49 1.367 1.791 13.874 363 HB3 ARG 49 2HB ARG 49 -0.275 2.421 13.884 364 HG2 ARG 49 1HG ARG 49 -0.858 0.156 12.739 365 HG3 ARG 49 2HG ARG 49 0.681 -0.365 13.430 366 HD2 ARG 49 1HD ARG 49 -1.269 1.057 15.175 367 HD3 ARG 49 2HD ARG 49 -1.578 -0.628 14.760 368 HE ARG 49 HE ARG 49 1.054 -0.477 15.621 369 HH11 ARG 49 2HH1 ARG 49 -2.128 0.074 16.922 370 HH12 ARG 49 1HH1 ARG 49 -1.678 -0.338 18.544 371 HH21 ARG 49 2HH2 ARG 49 1.658 -1.021 17.752 372 HH22 ARG 49 1HH2 ARG 49 0.476 -0.960 19.015 373 H LYS 50 H LYS 50 3.008 2.736 11.509 374 HA LYS 50 HA LYS 50 3.603 0.871 9.488 375 HB2 LYS 50 1HB LYS 50 4.951 2.870 9.825 376 HB3 LYS 50 2HB LYS 50 5.440 2.303 11.416 377 HG2 LYS 50 1HG LYS 50 6.658 0.466 10.433 378 HG3 LYS 50 2HG LYS 50 6.091 0.917 8.823 379 HD2 LYS 50 1HD LYS 50 8.256 1.804 8.950 380 HD3 LYS 50 2HD LYS 50 7.199 3.182 9.270 381 HE2 LYS 50 1HE LYS 50 7.654 3.123 11.580 382 HE3 LYS 50 2HE LYS 50 8.360 1.511 11.482 383 HZ1 LYS 50 3HZ LYS 50 10.249 2.371 10.360 384 HZ2 LYS 50 1HZ LYS 50 9.994 3.353 11.714 385 HZ3 LYS 50 2HZ LYS 50 9.543 3.897 10.178 386 H SER 51 H SER 51 4.450 -1.158 9.515 387 HA SER 51 HA SER 51 5.633 -2.405 11.746 388 HB2 SER 51 1HB SER 51 3.699 -4.109 12.057 389 HB3 SER 51 2HB SER 51 3.572 -2.540 12.853 390 HG SER 51 HG SER 51 2.536 -2.762 10.276 391 H GLN 52 H GLN 52 5.877 -4.801 11.398 392 HA GLN 52 HA GLN 52 7.044 -5.421 9.037 393 HB2 GLN 52 1HB GLN 52 5.618 -7.146 11.032 394 HB3 GLN 52 2HB GLN 52 6.295 -7.861 9.575 395 HG2 GLN 52 1HG GLN 52 7.817 -6.297 11.649 396 HG3 GLN 52 2HG GLN 52 7.826 -8.049 11.451 397 HE21 GLN 52 1HE2 GLN 52 9.135 -5.075 10.430 398 HE22 GLN 52 2HE2 GLN 52 10.206 -5.694 9.224 399 H LYS 53 H LYS 53 3.655 -5.191 9.639 400 HA LYS 53 HA LYS 53 2.895 -6.621 7.239 401 HB2 LYS 53 1HB LYS 53 1.348 -6.859 9.000 402 HB3 LYS 53 2HB LYS 53 1.376 -5.140 9.372 403 HG2 LYS 53 1HG LYS 53 -0.708 -5.676 8.326 404 HG3 LYS 53 2HG LYS 53 0.251 -4.699 7.211 405 HD2 LYS 53 1HD LYS 53 -0.473 -6.344 5.790 406 HD3 LYS 53 2HD LYS 53 1.038 -7.063 6.351 407 HE2 LYS 53 1HE LYS 53 -0.750 -8.703 6.402 408 HE3 LYS 53 2HE LYS 53 -0.209 -8.335 8.039 409 HZ1 LYS 53 3HZ LYS 53 -2.216 -7.591 8.587 410 HZ2 LYS 53 1HZ LYS 53 -2.784 -8.277 7.148 411 HZ3 LYS 53 2HZ LYS 53 -2.353 -6.642 7.193 412 H TYR 54 H TYR 54 2.637 -3.263 8.408 413 HA TYR 54 HA TYR 54 2.322 -2.397 5.615 414 HB2 TYR 54 1HB TYR 54 1.648 -0.919 8.168 415 HB3 TYR 54 2HB TYR 54 1.380 -0.320 6.535 416 HD1 TYR 54 2HD TYR 54 0.144 -2.387 5.072 417 HD2 TYR 54 1HD TYR 54 -0.331 -1.476 9.201 418 HE1 TYR 54 2HE TYR 54 -2.077 -3.445 5.044 419 HE2 TYR 54 1HE TYR 54 -2.552 -2.533 9.184 420 HH TYR 54 HH TYR 54 -3.608 -4.555 6.807 421 H ASP 55 H ASP 55 4.568 -2.499 5.163 422 HA ASP 55 HA ASP 55 6.461 -0.995 6.700 423 HB2 ASP 55 1HB ASP 55 6.781 -2.067 3.892 424 HB3 ASP 55 2HB ASP 55 8.067 -1.620 5.010 425 H VAL 56 H VAL 56 6.375 1.154 6.747 426 HA VAL 56 HA VAL 56 5.443 2.648 4.430 427 HB VAL 56 HB VAL 56 6.300 3.660 7.145 428 HG11 VAL 56 1HG1 VAL 56 6.413 5.276 5.221 429 HG12 VAL 56 2HG1 VAL 56 4.667 5.080 5.052 430 HG13 VAL 56 3HG1 VAL 56 5.341 5.747 6.540 431 HG21 VAL 56 3HG2 VAL 56 3.514 3.225 6.074 432 HG22 VAL 56 1HG2 VAL 56 4.335 2.153 7.208 433 HG23 VAL 56 2HG2 VAL 56 3.952 3.809 7.679 434 H VAL 57 H VAL 57 6.815 3.292 2.917 435 HA VAL 57 HA VAL 57 9.521 4.124 3.717 436 HB VAL 57 HB VAL 57 10.171 2.174 2.733 437 HG11 VAL 57 1HG1 VAL 57 8.144 1.124 2.272 438 HG12 VAL 57 2HG1 VAL 57 7.645 2.376 1.133 439 HG13 VAL 57 3HG1 VAL 57 8.917 1.237 0.691 440 HG21 VAL 57 3HG2 VAL 57 10.865 2.558 0.421 441 HG22 VAL 57 1HG2 VAL 57 9.755 3.924 0.311 442 HG23 VAL 57 2HG2 VAL 57 11.131 3.993 1.411 443 H CYS 58 H CYS 58 10.552 5.602 2.221 444 HA CYS 58 HA CYS 58 9.066 6.789 0.087 445 HB2 CYS 58 1HB CYS 58 7.866 7.844 1.910 446 HB3 CYS 58 2HB CYS 58 9.376 8.334 2.667 447 HG CYS 58 HG CYS 58 8.494 9.465 -0.430 448 H GLU 59 H GLU 59 10.533 7.372 -1.360 449 HA GLU 59 HA GLU 59 12.974 8.713 -0.519 450 HB2 GLU 59 1HB GLU 59 12.888 6.006 -1.796 451 HB3 GLU 59 2HB GLU 59 14.215 7.096 -2.173 452 HG2 GLU 59 1HG GLU 59 13.466 5.944 0.494 453 HG3 GLU 59 2HG GLU 59 14.955 5.708 -0.418 454 H GLY 60 H GLY 60 13.826 10.068 -2.062 455 HA2 GLY 60 1HA GLY 60 13.596 11.556 -3.816 456 HA3 GLY 60 2HA GLY 60 13.622 10.076 -4.763 457 H THR 61 H THR 61 11.227 11.637 -2.632 458 HA THR 61 HA THR 61 9.011 12.080 -2.917 459 HB THR 61 HB THR 61 8.351 13.206 -4.872 460 HG1 THR 61 1HG THR 61 10.516 12.292 -6.414 461 HG21 THR 61 3HG2 THR 61 9.974 14.835 -5.110 462 HG22 THR 61 1HG2 THR 61 11.297 13.669 -5.095 463 HG23 THR 61 2HG2 THR 61 10.462 14.075 -3.595 464 H MET 62 H MET 62 9.633 9.371 -2.864 465 HA MET 62 HA MET 62 7.507 8.300 -4.581 466 HB2 MET 62 1HB MET 62 9.772 7.756 -5.520 467 HB3 MET 62 2HB MET 62 10.105 6.855 -4.048 468 HG2 MET 62 1HG MET 62 7.895 5.609 -4.654 469 HG3 MET 62 2HG MET 62 8.227 6.227 -6.271 470 HE1 MET 62 3HE MET 62 11.039 3.695 -3.758 471 HE2 MET 62 1HE MET 62 9.707 4.720 -3.224 472 HE3 MET 62 2HE MET 62 9.382 3.092 -3.818 473 H ALA 63 H ALA 63 6.053 8.182 -2.900 474 HA ALA 63 HA ALA 63 6.793 6.825 -0.439 475 HB1 ALA 63 3HB ALA 63 4.006 7.693 -1.081 476 HB2 ALA 63 1HB ALA 63 4.832 7.634 0.476 477 HB3 ALA 63 2HB ALA 63 5.239 8.892 -0.692 478 H MET 64 H MET 64 6.531 4.722 -0.099 479 HA MET 64 HA MET 64 4.579 3.261 -1.753 480 HB2 MET 64 1HB MET 64 6.993 2.863 -2.387 481 HB3 MET 64 2HB MET 64 7.213 2.134 -0.802 482 HG2 MET 64 1HG MET 64 5.685 0.384 -1.306 483 HG3 MET 64 2HG MET 64 5.180 1.178 -2.796 484 HE1 MET 64 3HE MET 64 8.735 0.959 -1.347 485 HE2 MET 64 1HE MET 64 8.258 -0.708 -1.022 486 HE3 MET 64 2HE MET 64 9.485 -0.365 -2.242 487 H LEU 65 H LEU 65 3.493 1.537 -0.769 488 HA LEU 65 HA LEU 65 3.873 1.245 2.130 489 HB2 LEU 65 1HB LEU 65 2.016 2.733 1.878 490 HB3 LEU 65 2HB LEU 65 1.279 1.687 0.666 491 HG LEU 65 HG LEU 65 1.010 -0.040 2.482 492 HD11 LEU 65 1HD1 LEU 65 2.097 2.234 4.077 493 HD12 LEU 65 2HD1 LEU 65 2.443 0.509 4.194 494 HD13 LEU 65 3HD1 LEU 65 0.915 1.145 4.803 495 HD21 LEU 65 3HD2 LEU 65 -0.525 2.236 1.845 496 HD22 LEU 65 1HD2 LEU 65 -0.613 2.031 3.595 497 HD23 LEU 65 2HD2 LEU 65 -1.078 0.706 2.528 498 H VAL 66 H VAL 66 4.734 -0.771 2.101 499 HA VAL 66 HA VAL 66 3.723 -2.861 0.415 500 HB VAL 66 HB VAL 66 5.506 -3.250 2.812 501 HG11 VAL 66 1HG1 VAL 66 6.414 -5.078 1.363 502 HG12 VAL 66 2HG1 VAL 66 4.736 -5.301 1.864 503 HG13 VAL 66 3HG1 VAL 66 5.104 -4.748 0.229 504 HG21 VAL 66 3HG2 VAL 66 7.297 -3.081 0.858 505 HG22 VAL 66 1HG2 VAL 66 6.092 -1.976 0.196 506 HG23 VAL 66 2HG2 VAL 66 6.790 -1.670 1.787 507 H ILE 67 H ILE 67 2.371 -4.518 0.913 508 HA ILE 67 HA ILE 67 1.210 -4.533 3.623 509 HB ILE 67 HB ILE 67 -0.234 -5.042 1.019 510 HG12 ILE 67 1HG1 ILE 67 -1.001 -2.916 2.970 511 HG13 ILE 67 2HG1 ILE 67 0.385 -2.625 1.925 512 HG21 ILE 67 1HG2 ILE 67 -1.876 -4.750 3.386 513 HG22 ILE 67 2HG2 ILE 67 -1.891 -6.006 2.150 514 HG23 ILE 67 3HG2 ILE 67 -0.776 -6.122 3.511 515 HD11 ILE 67 3HD1 ILE 67 -0.901 -2.626 0.008 516 HD12 ILE 67 1HD1 ILE 67 -2.215 -3.525 0.766 517 HD13 ILE 67 2HD1 ILE 67 -1.950 -1.831 1.182 518 H ARG 68 H ARG 68 2.934 -6.159 3.971 519 HA ARG 68 HA ARG 68 3.253 -8.553 2.690 520 HB2 ARG 68 1HB ARG 68 3.547 -7.681 5.519 521 HB3 ARG 68 2HB ARG 68 3.582 -9.410 5.199 522 HG2 ARG 68 1HG ARG 68 5.354 -7.414 3.811 523 HG3 ARG 68 2HG ARG 68 5.816 -8.312 5.258 524 HD2 ARG 68 1HD ARG 68 4.785 -9.822 2.908 525 HD3 ARG 68 2HD ARG 68 6.426 -9.181 2.843 526 HE ARG 68 HE ARG 68 5.598 -11.469 4.243 527 HH11 ARG 68 2HH1 ARG 68 7.601 -8.652 4.656 528 HH12 ARG 68 1HH1 ARG 68 8.679 -9.421 5.773 529 HH21 ARG 68 2HH2 ARG 68 7.010 -12.493 5.713 530 HH22 ARG 68 1HH2 ARG 68 8.342 -11.607 6.373 531 H GLY 69 H GLY 69 2.139 -10.406 2.449 532 HA2 GLY 69 1HA GLY 69 0.337 -11.830 2.452 533 HA3 GLY 69 2HA GLY 69 0.306 -11.537 4.184 534 H ALA 70 H ALA 70 -0.867 -10.349 1.073 535 HA ALA 70 HA ALA 70 -2.877 -8.700 2.383 536 HB1 ALA 70 3HB ALA 70 -2.404 -9.142 -0.562 537 HB2 ALA 70 1HB ALA 70 -3.424 -7.903 0.170 538 HB3 ALA 70 2HB ALA 70 -1.675 -7.855 0.400 539 H SER 71 H SER 71 -4.429 -9.969 3.271 540 HA SER 71 HA SER 71 -5.548 -12.182 1.745 541 HB2 SER 71 1HB SER 71 -6.011 -11.198 4.565 542 HB3 SER 71 2HB SER 71 -6.919 -12.528 3.846 543 HG SER 71 HG SER 71 -4.105 -12.407 4.209 544 H LEU 72 H LEU 72 -8.013 -12.398 1.865 545 HA LEU 72 HA LEU 72 -9.210 -10.453 0.314 546 HB2 LEU 72 1HB LEU 72 -10.651 -12.252 2.252 547 HB3 LEU 72 2HB LEU 72 -11.312 -11.516 0.794 548 HG LEU 72 HG LEU 72 -9.131 -13.599 0.815 549 HD11 LEU 72 1HD1 LEU 72 -11.049 -14.703 1.612 550 HD12 LEU 72 2HD1 LEU 72 -10.992 -15.048 -0.116 551 HD13 LEU 72 3HD1 LEU 72 -12.110 -13.833 0.503 552 HD21 LEU 72 3HD2 LEU 72 -9.953 -11.798 -1.164 553 HD22 LEU 72 1HD2 LEU 72 -10.664 -13.351 -1.604 554 HD23 LEU 72 2HD2 LEU 72 -8.922 -13.216 -1.362 555 H LYS 73 H LYS 73 -8.599 -10.418 3.679 556 HA LYS 73 HA LYS 73 -10.649 -8.501 4.343 557 HB2 LYS 73 1HB LYS 73 -8.450 -9.883 5.802 558 HB3 LYS 73 2HB LYS 73 -9.050 -8.371 6.471 559 HG2 LYS 73 1HG LYS 73 -11.211 -9.242 6.779 560 HG3 LYS 73 2HG LYS 73 -10.881 -10.637 5.749 561 HD2 LYS 73 1HD LYS 73 -9.239 -10.204 8.206 562 HD3 LYS 73 2HD LYS 73 -10.863 -10.878 8.357 563 HE2 LYS 73 1HE LYS 73 -10.016 -12.464 6.432 564 HE3 LYS 73 2HE LYS 73 -8.433 -12.028 7.072 565 HZ1 LYS 73 3HZ LYS 73 -10.420 -12.818 9.036 566 HZ2 LYS 73 1HZ LYS 73 -8.773 -13.194 8.949 567 HZ3 LYS 73 2HZ LYS 73 -9.887 -14.046 8.003 568 H ASP 74 H ASP 74 -7.168 -8.462 3.738 569 HA ASP 74 HA ASP 74 -6.566 -5.861 4.456 570 HB2 ASP 74 1HB ASP 74 -5.464 -7.668 2.318 571 HB3 ASP 74 2HB ASP 74 -4.836 -6.038 2.542 572 H ALA 75 H ALA 75 -8.256 -7.047 1.643 573 HA ALA 75 HA ALA 75 -8.067 -4.891 -0.082 574 HB1 ALA 75 3HB ALA 75 -9.159 -6.596 -1.100 575 HB2 ALA 75 1HB ALA 75 -10.044 -7.048 0.358 576 HB3 ALA 75 2HB ALA 75 -10.570 -5.663 -0.600 577 H GLY 76 H GLY 76 -8.501 -2.814 0.239 578 HA2 GLY 76 1HA GLY 76 -11.028 -1.935 1.235 579 HA3 GLY 76 2HA GLY 76 -9.756 -1.694 2.423 580 H GLU 77 H GLU 77 -10.435 0.589 2.111 581 HA GLU 77 HA GLU 77 -9.398 1.797 -0.346 582 HB2 GLU 77 1HB GLU 77 -11.705 2.317 0.854 583 HB3 GLU 77 2HB GLU 77 -10.702 3.412 1.796 584 HG2 GLU 77 1HG GLU 77 -9.911 4.388 -0.380 585 HG3 GLU 77 2HG GLU 77 -11.163 3.433 -1.172 586 H TYR 78 H TYR 78 -7.572 2.958 -0.405 587 HA TYR 78 HA TYR 78 -6.206 3.479 2.153 588 HB2 TYR 78 1HB TYR 78 -5.120 2.751 -0.561 589 HB3 TYR 78 2HB TYR 78 -4.104 3.469 0.685 590 HD1 TYR 78 1HD TYR 78 -3.644 2.231 2.772 591 HD2 TYR 78 2HD TYR 78 -5.812 0.463 -0.433 592 HE1 TYR 78 1HE TYR 78 -3.264 0.006 3.750 593 HE2 TYR 78 2HE TYR 78 -5.439 -1.767 0.536 594 HH TYR 78 HH TYR 78 -3.222 -2.547 2.552 595 H THR 79 H THR 79 -6.722 5.554 2.598 596 HA THR 79 HA THR 79 -6.605 7.568 0.494 597 HB THR 79 HB THR 79 -7.467 7.726 3.384 598 HG1 THR 79 1HG THR 79 -9.455 8.397 2.040 599 HG21 THR 79 3HG2 THR 79 -7.464 9.915 1.303 600 HG22 THR 79 1HG2 THR 79 -6.399 9.833 2.706 601 HG23 THR 79 2HG2 THR 79 -8.138 10.029 2.928 602 H CYS 80 H CYS 80 -4.651 8.345 0.030 603 HA CYS 80 HA CYS 80 -2.595 8.504 2.077 604 HB2 CYS 80 1HB CYS 80 -2.239 7.721 -0.350 605 HB3 CYS 80 2HB CYS 80 -2.314 9.427 -0.776 606 HG CYS 80 HG CYS 80 -0.031 8.046 1.369 607 H GLU 81 H GLU 81 -3.262 10.155 3.431 608 HA GLU 81 HA GLU 81 -3.922 12.756 2.351 609 HB2 GLU 81 1HB GLU 81 -4.796 11.548 4.542 610 HB3 GLU 81 2HB GLU 81 -3.391 12.327 5.256 611 HG2 GLU 81 1HG GLU 81 -4.311 14.473 4.159 612 HG3 GLU 81 2HG GLU 81 -5.820 13.570 4.040 613 H VAL 82 H VAL 82 -2.498 14.289 1.894 614 HA VAL 82 HA VAL 82 0.190 14.111 3.087 615 HB VAL 82 HB VAL 82 -0.235 13.966 0.491 616 HG11 VAL 82 1HG1 VAL 82 0.153 16.921 0.666 617 HG12 VAL 82 2HG1 VAL 82 -0.441 15.942 -0.677 618 HG13 VAL 82 3HG1 VAL 82 -1.477 16.250 0.717 619 HG21 VAL 82 3HG2 VAL 82 1.925 14.820 2.146 620 HG22 VAL 82 1HG2 VAL 82 1.982 13.978 0.598 621 HG23 VAL 82 2HG2 VAL 82 1.960 15.741 0.643 622 H GLU 83 H GLU 83 1.236 16.513 2.654 623 HA GLU 83 HA GLU 83 0.634 18.133 4.666 624 HB2 GLU 83 1HB GLU 83 0.955 19.685 2.181 625 HB3 GLU 83 2HB GLU 83 1.904 19.716 3.661 626 HG2 GLU 83 1HG GLU 83 2.837 17.464 2.884 627 HG3 GLU 83 2HG GLU 83 2.153 17.875 1.313 628 H ALA 84 H ALA 84 -0.902 18.611 1.480 629 HA ALA 84 HA ALA 84 -3.301 19.583 2.876 630 HB1 ALA 84 3HB ALA 84 -3.062 20.986 0.418 631 HB2 ALA 84 1HB ALA 84 -3.073 21.631 2.060 632 HB3 ALA 84 2HB ALA 84 -1.548 21.164 1.306 633 H SER 85 H SER 85 -1.863 18.111 0.038 634 HA SER 85 HA SER 85 -4.385 17.632 -1.263 635 HB2 SER 85 1HB SER 85 -1.936 17.842 -2.267 636 HB3 SER 85 2HB SER 85 -1.928 16.099 -1.998 637 HG SER 85 HG SER 85 -4.153 17.225 -3.257 638 H LYS 86 H LYS 86 -4.625 15.201 -2.078 639 HA LYS 86 HA LYS 86 -3.954 13.138 -0.251 640 HB2 LYS 86 1HB LYS 86 -5.504 13.853 1.300 641 HB3 LYS 86 2HB LYS 86 -6.573 14.530 0.079 642 HG2 LYS 86 1HG LYS 86 -7.149 12.199 -0.601 643 HG3 LYS 86 2HG LYS 86 -6.219 11.628 0.786 644 HD2 LYS 86 1HD LYS 86 -8.293 11.712 1.736 645 HD3 LYS 86 2HD LYS 86 -7.759 13.361 2.067 646 HE2 LYS 86 1HE LYS 86 -9.949 13.546 1.203 647 HE3 LYS 86 2HE LYS 86 -8.870 14.016 -0.109 648 HZ1 LYS 86 3HZ LYS 86 -9.237 11.284 -0.341 649 HZ2 LYS 86 1HZ LYS 86 -9.862 12.492 -1.348 650 HZ3 LYS 86 2HZ LYS 86 -10.773 11.927 -0.040 651 H SER 87 H SER 87 -4.604 11.087 -0.973 652 HA SER 87 HA SER 87 -6.046 11.034 -3.537 653 HB2 SER 87 1HB SER 87 -3.503 10.826 -3.750 654 HB3 SER 87 2HB SER 87 -3.676 9.256 -2.965 655 HG SER 87 HG SER 87 -4.412 8.462 -4.763 656 H THR 88 H THR 88 -7.361 9.274 -3.896 657 HA THR 88 HA THR 88 -7.627 7.376 -1.655 658 HB THR 88 HB THR 88 -9.849 8.556 -3.333 659 HG1 THR 88 1HG THR 88 -8.893 9.003 -0.720 660 HG21 THR 88 3HG2 THR 88 -9.984 6.560 -1.070 661 HG22 THR 88 1HG2 THR 88 -10.269 6.202 -2.772 662 HG23 THR 88 2HG2 THR 88 -11.363 7.278 -1.902 663 H ALA 89 H ALA 89 -7.945 5.240 -2.141 664 HA ALA 89 HA ALA 89 -8.361 4.437 -4.908 665 HB1 ALA 89 3HB ALA 89 -5.892 3.703 -3.346 666 HB2 ALA 89 1HB ALA 89 -6.411 2.878 -4.817 667 HB3 ALA 89 2HB ALA 89 -5.978 4.588 -4.870 668 H SER 90 H SER 90 -8.086 1.823 -4.862 669 HA SER 90 HA SER 90 -9.285 0.732 -2.439 670 HB2 SER 90 1HB SER 90 -10.621 0.586 -5.151 671 HB3 SER 90 2HB SER 90 -11.117 -0.345 -3.738 672 HG SER 90 HG SER 90 -11.257 2.438 -4.169 673 H LEU 91 H LEU 91 -8.318 -1.121 -1.971 674 HA LEU 91 HA LEU 91 -6.730 -2.464 -4.003 675 HB2 LEU 91 1HB LEU 91 -5.481 -2.321 -2.092 676 HB3 LEU 91 2HB LEU 91 -6.879 -2.507 -1.036 677 HG LEU 91 HG LEU 91 -6.914 -4.943 -1.747 678 HD11 LEU 91 1HD1 LEU 91 -4.053 -4.527 -2.512 679 HD12 LEU 91 2HD1 LEU 91 -5.332 -4.387 -3.718 680 HD13 LEU 91 3HD1 LEU 91 -5.113 -5.899 -2.839 681 HD21 LEU 91 3HD2 LEU 91 -5.844 -3.798 0.370 682 HD22 LEU 91 1HD2 LEU 91 -4.342 -4.361 -0.366 683 HD23 LEU 91 2HD2 LEU 91 -5.610 -5.517 0.044 684 H HIS 92 H HIS 92 -7.133 -4.447 -4.834 685 HA HIS 92 HA HIS 92 -9.601 -5.790 -3.942 686 HB2 HIS 92 1HB HIS 92 -8.387 -5.700 -6.712 687 HB3 HIS 92 2HB HIS 92 -9.807 -6.640 -6.263 688 HD1 HIS 92 1HD HIS 92 -11.970 -5.254 -5.629 689 HD2 HIS 92 2HD HIS 92 -8.856 -3.045 -7.268 690 HE1 HIS 92 1HE HIS 92 -12.989 -3.059 -6.314 691 HE2 HIS 92 2HE HIS 92 -11.105 -1.773 -7.380 692 H VAL 93 H VAL 93 -9.552 -7.950 -3.537 693 HA VAL 93 HA VAL 93 -7.115 -9.450 -4.159 694 HB VAL 93 HB VAL 93 -8.281 -9.122 -1.398 695 HG11 VAL 93 1HG1 VAL 93 -6.825 -10.898 -0.638 696 HG12 VAL 93 2HG1 VAL 93 -7.912 -11.514 -1.884 697 HG13 VAL 93 3HG1 VAL 93 -6.231 -11.152 -2.278 698 HG21 VAL 93 3HG2 VAL 93 -6.299 -7.732 -2.620 699 HG22 VAL 93 1HG2 VAL 93 -6.408 -7.987 -0.878 700 HG23 VAL 93 2HG2 VAL 93 -5.379 -9.030 -1.859 701 H GLU 94 H GLU 94 -7.657 -11.296 -5.101 702 HA GLU 94 HA GLU 94 -9.992 -12.775 -4.157 703 HB2 GLU 94 1HB GLU 94 -9.546 -11.988 -7.041 704 HB3 GLU 94 2HB GLU 94 -10.724 -13.179 -6.508 705 HG2 GLU 94 1HG GLU 94 -10.807 -10.453 -5.323 706 HG3 GLU 94 2HG GLU 94 -11.414 -10.695 -6.960 707 H GLU 95 H GLU 95 -9.947 -15.009 -4.646 708 HA GLU 95 HA GLU 95 -7.245 -16.007 -5.138 709 HB2 GLU 95 1HB GLU 95 -8.876 -16.673 -3.166 710 HB3 GLU 95 2HB GLU 95 -9.511 -17.792 -4.365 711 HG2 GLU 95 1HG GLU 95 -7.218 -18.685 -4.669 712 HG3 GLU 95 2HG GLU 95 -6.683 -17.644 -3.351 713 H LYS 96 H LYS 96 -6.716 -17.382 -6.780 714 HA LYS 96 HA LYS 96 -8.670 -17.591 -8.947 715 HB2 LYS 96 1HB LYS 96 -5.676 -17.795 -8.813 716 HB3 LYS 96 2HB LYS 96 -6.555 -18.414 -10.204 717 HG2 LYS 96 1HG LYS 96 -6.061 -16.307 -10.924 718 HG3 LYS 96 2HG LYS 96 -7.640 -16.027 -10.187 719 HD2 LYS 96 1HD LYS 96 -6.756 -14.896 -8.401 720 HD3 LYS 96 2HD LYS 96 -5.218 -15.759 -8.478 721 HE2 LYS 96 1HE LYS 96 -4.689 -14.511 -10.559 722 HE3 LYS 96 2HE LYS 96 -6.172 -13.584 -10.338 723 HZ1 LYS 96 3HZ LYS 96 -4.260 -12.390 -9.486 724 HZ2 LYS 96 1HZ LYS 96 -3.885 -13.670 -8.445 725 HZ3 LYS 96 2HZ LYS 96 -5.311 -12.788 -8.222 726 H ALA 97 H ALA 97 -9.003 -19.573 -10.071 727 HA ALA 97 HA ALA 97 -8.908 -21.882 -8.303 728 HB1 ALA 97 3HB ALA 97 -10.870 -22.332 -9.233 729 HB2 ALA 97 1HB ALA 97 -10.681 -20.955 -10.320 730 HB3 ALA 97 2HB ALA 97 -10.082 -22.544 -10.797 731 H SER 98 H SER 98 -7.083 -23.028 -8.327 732 HA SER 98 HA SER 98 -5.276 -23.093 -10.514 733 HB2 SER 98 1HB SER 98 -5.493 -24.692 -7.967 734 HB3 SER 98 2HB SER 98 -4.237 -25.011 -9.162 735 HG SER 98 HG SER 98 -3.329 -23.558 -7.826 736 H GLY 99 H GLY 99 -6.439 -23.787 -12.329 737 HA2 GLY 99 1HA GLY 99 -6.455 -25.768 -13.738 738 HA3 GLY 99 2HA GLY 99 -6.997 -26.685 -12.340 739 HA PRO 100 HA PRO 100 -10.698 -25.703 -14.951 740 HB2 PRO 100 1HB PRO 100 -11.728 -28.213 -14.848 741 HB3 PRO 100 2HB PRO 100 -10.541 -27.710 -16.057 742 HG2 PRO 100 1HG PRO 100 -10.125 -29.230 -13.512 743 HG3 PRO 100 2HG PRO 100 -9.419 -29.515 -15.114 744 HD2 PRO 100 1HD PRO 100 -8.069 -28.264 -13.127 745 HD3 PRO 100 2HD PRO 100 -7.826 -27.872 -14.842 746 H SER 101 H SER 101 -10.008 -26.341 -11.795 747 HA SER 101 HA SER 101 -11.178 -25.932 -9.874 748 HB2 SER 101 1HB SER 101 -12.510 -24.369 -11.510 749 HB3 SER 101 2HB SER 101 -13.753 -25.612 -11.377 750 HG SER 101 HG SER 101 -12.553 -24.555 -9.063 751 H SER 102 H SER 102 -10.681 -28.480 -10.477 752 HA SER 102 HA SER 102 -13.087 -29.855 -9.521 753 HB2 SER 102 1HB SER 102 -13.129 -30.369 -11.852 754 HB3 SER 102 2HB SER 102 -11.394 -30.686 -11.882 755 HG SER 102 HG SER 102 -12.109 -32.676 -11.666 756 H GLY 103 H GLY 103 -12.439 -30.414 -7.529 757 HA2 GLY 103 1HA GLY 103 -9.747 -31.047 -6.853 758 HA3 GLY 103 2HA GLY 103 -11.155 -31.277 -5.826 Start of MODEL 16 1 H1 GLY 1 H GLY 1 14.657 18.523 -15.872 2 HA2 GLY 1 1HA GLY 1 14.094 16.575 -17.256 3 HA3 GLY 1 2HA GLY 1 14.749 15.571 -15.970 4 H SER 2 H SER 2 13.477 15.008 -14.259 5 HA SER 2 HA SER 2 10.694 15.978 -14.342 6 HB2 SER 2 1HB SER 2 10.957 13.597 -15.025 7 HB3 SER 2 2HB SER 2 11.650 13.250 -13.441 8 HG SER 2 HG SER 2 9.303 14.570 -13.206 9 H SER 3 H SER 3 13.275 14.763 -12.238 10 HA SER 3 HA SER 3 11.902 15.461 -9.822 11 HB2 SER 3 1HB SER 3 13.777 13.678 -10.212 12 HB3 SER 3 2HB SER 3 14.871 15.038 -9.959 13 HG SER 3 HG SER 3 12.786 14.519 -8.139 14 H GLY 4 H GLY 4 11.390 17.650 -9.972 15 HA2 GLY 4 1HA GLY 4 12.757 19.546 -8.744 16 HA3 GLY 4 2HA GLY 4 13.576 19.562 -10.299 17 H SER 5 H SER 5 10.930 20.695 -8.512 18 HA SER 5 HA SER 5 10.075 22.355 -10.703 19 HB2 SER 5 1HB SER 5 7.707 21.639 -10.627 20 HB3 SER 5 2HB SER 5 8.770 20.346 -11.183 21 HG SER 5 HG SER 5 7.055 20.120 -9.308 22 H SER 6 H SER 6 10.181 24.241 -9.666 23 HA SER 6 HA SER 6 9.883 24.668 -6.935 24 HB2 SER 6 1HB SER 6 9.550 26.539 -9.282 25 HB3 SER 6 2HB SER 6 9.478 27.088 -7.608 26 HG SER 6 HG SER 6 11.661 25.590 -8.593 27 H GLY 7 H GLY 7 8.039 23.573 -6.194 28 HA2 GLY 7 1HA GLY 7 5.607 25.143 -6.379 29 HA3 GLY 7 2HA GLY 7 5.490 23.518 -7.037 30 HA PRO 8 HA PRO 8 4.425 23.387 -2.514 31 HB2 PRO 8 1HB PRO 8 2.138 21.962 -2.843 32 HB3 PRO 8 2HB PRO 8 2.191 23.726 -2.932 33 HG2 PRO 8 1HG PRO 8 2.168 21.717 -5.152 34 HG3 PRO 8 2HG PRO 8 1.274 23.242 -5.014 35 HD2 PRO 8 1HD PRO 8 3.528 23.004 -6.494 36 HD3 PRO 8 2HD PRO 8 3.086 24.510 -5.663 37 H ALA 9 H ALA 9 3.439 21.170 -1.460 38 HA ALA 9 HA ALA 9 5.245 19.042 -2.406 39 HB1 ALA 9 3HB ALA 9 4.747 20.156 0.221 40 HB2 ALA 9 1HB ALA 9 4.537 18.405 0.195 41 HB3 ALA 9 2HB ALA 9 6.060 19.118 -0.336 42 H ALA 10 H ALA 10 2.418 19.636 -3.208 43 HA ALA 10 HA ALA 10 0.735 17.649 -2.064 44 HB1 ALA 10 3HB ALA 10 0.030 19.751 -3.316 45 HB2 ALA 10 1HB ALA 10 0.365 18.847 -4.793 46 HB3 ALA 10 2HB ALA 10 -0.864 18.272 -3.666 47 H ILE 11 H ILE 11 -0.362 16.034 -3.685 48 HA ILE 11 HA ILE 11 1.809 14.389 -4.759 49 HB ILE 11 HB ILE 11 -1.069 13.641 -4.225 50 HG12 ILE 11 1HG1 ILE 11 1.227 12.584 -2.639 51 HG13 ILE 11 2HG1 ILE 11 0.659 14.213 -2.291 52 HG21 ILE 11 1HG2 ILE 11 -0.672 11.764 -5.338 53 HG22 ILE 11 2HG2 ILE 11 0.925 12.372 -5.774 54 HG23 ILE 11 3HG2 ILE 11 0.715 11.421 -4.303 55 HD11 ILE 11 3HD1 ILE 11 -0.306 12.308 -0.917 56 HD12 ILE 11 1HD1 ILE 11 -1.445 13.454 -1.622 57 HD13 ILE 11 2HD1 ILE 11 -1.209 11.873 -2.367 58 H ILE 12 H ILE 12 2.161 14.302 -6.869 59 HA ILE 12 HA ILE 12 0.200 15.411 -8.709 60 HB ILE 12 HB ILE 12 2.142 14.754 -10.375 61 HG12 ILE 12 1HG1 ILE 12 3.288 13.599 -8.322 62 HG13 ILE 12 2HG1 ILE 12 4.264 14.505 -9.473 63 HG21 ILE 12 1HG2 ILE 12 3.292 16.973 -9.555 64 HG22 ILE 12 2HG2 ILE 12 1.682 16.994 -10.273 65 HG23 ILE 12 3HG2 ILE 12 1.867 17.065 -8.520 66 HD11 ILE 12 3HD1 ILE 12 4.488 14.811 -6.852 67 HD12 ILE 12 1HD1 ILE 12 4.745 16.138 -7.984 68 HD13 ILE 12 2HD1 ILE 12 3.203 15.983 -7.142 69 H LYS 13 H LYS 13 1.711 12.334 -7.939 70 HA LYS 13 HA LYS 13 0.028 11.032 -9.975 71 HB2 LYS 13 1HB LYS 13 2.636 10.210 -8.707 72 HB3 LYS 13 2HB LYS 13 1.628 9.074 -9.593 73 HG2 LYS 13 1HG LYS 13 1.754 10.823 -11.497 74 HG3 LYS 13 2HG LYS 13 3.147 11.438 -10.606 75 HD2 LYS 13 1HD LYS 13 4.221 9.937 -11.939 76 HD3 LYS 13 2HD LYS 13 3.792 8.856 -10.611 77 HE2 LYS 13 1HE LYS 13 3.227 7.776 -12.672 78 HE3 LYS 13 2HE LYS 13 1.731 8.241 -11.864 79 HZ1 LYS 13 3HZ LYS 13 2.167 10.385 -13.376 80 HZ2 LYS 13 1HZ LYS 13 1.245 9.061 -13.884 81 HZ3 LYS 13 2HZ LYS 13 2.863 9.197 -14.358 82 HA PRO 14 HA PRO 14 -2.179 9.798 -6.220 83 HB2 PRO 14 1HB PRO 14 -4.436 9.065 -7.537 84 HB3 PRO 14 2HB PRO 14 -4.065 10.744 -7.128 85 HG2 PRO 14 1HG PRO 14 -3.697 9.300 -9.725 86 HG3 PRO 14 2HG PRO 14 -4.321 10.934 -9.432 87 HD2 PRO 14 1HD PRO 14 -1.780 10.469 -10.243 88 HD3 PRO 14 2HD PRO 14 -2.212 11.832 -9.192 89 H LEU 15 H LEU 15 -2.903 7.776 -5.421 90 HA LEU 15 HA LEU 15 -1.474 5.537 -6.392 91 HB2 LEU 15 1HB LEU 15 -3.780 5.612 -4.451 92 HB3 LEU 15 2HB LEU 15 -2.654 4.275 -4.673 93 HG LEU 15 HG LEU 15 -1.834 7.007 -3.699 94 HD11 LEU 15 1HD1 LEU 15 -2.292 6.453 -1.573 95 HD12 LEU 15 2HD1 LEU 15 -1.867 4.758 -1.812 96 HD13 LEU 15 3HD1 LEU 15 -3.456 5.346 -2.303 97 HD21 LEU 15 3HD2 LEU 15 0.075 5.485 -2.804 98 HD22 LEU 15 1HD2 LEU 15 0.084 5.996 -4.492 99 HD23 LEU 15 2HD2 LEU 15 -0.465 4.375 -4.065 100 H GLU 16 H GLU 16 -2.381 3.483 -7.082 101 HA GLU 16 HA GLU 16 -4.861 3.821 -8.639 102 HB2 GLU 16 1HB GLU 16 -2.384 2.238 -9.338 103 HB3 GLU 16 2HB GLU 16 -3.889 2.172 -10.244 104 HG2 GLU 16 1HG GLU 16 -2.639 3.667 -11.466 105 HG3 GLU 16 2HG GLU 16 -3.609 4.729 -10.448 106 H ASP 17 H ASP 17 -5.727 1.541 -9.301 107 HA ASP 17 HA ASP 17 -6.215 0.132 -6.820 108 HB2 ASP 17 1HB ASP 17 -7.346 -0.220 -9.602 109 HB3 ASP 17 2HB ASP 17 -7.841 -1.175 -8.208 110 H GLN 18 H GLN 18 -5.706 -1.989 -6.374 111 HA GLN 18 HA GLN 18 -3.907 -3.328 -8.282 112 HB2 GLN 18 1HB GLN 18 -3.557 -2.763 -5.383 113 HB3 GLN 18 2HB GLN 18 -2.971 -4.308 -5.983 114 HG2 GLN 18 1HG GLN 18 -1.150 -2.810 -6.051 115 HG3 GLN 18 2HG GLN 18 -1.682 -3.040 -7.716 116 HE21 GLN 18 1HE2 GLN 18 -0.300 -0.991 -7.741 117 HE22 GLN 18 2HE2 GLN 18 -1.160 0.499 -7.580 118 H TRP 19 H TRP 19 -4.383 -5.384 -8.757 119 HA TRP 19 HA TRP 19 -6.444 -6.719 -7.126 120 HB2 TRP 19 1HB TRP 19 -5.922 -6.932 -10.099 121 HB3 TRP 19 2HB TRP 19 -7.073 -7.931 -9.215 122 HD1 TRP 19 HD TRP 19 -9.373 -6.820 -8.501 123 HE1 TRP 19 1HE TRP 19 -10.547 -4.640 -9.203 124 HE3 TRP 19 3HE TRP 19 -5.441 -4.477 -10.778 125 HZ2 TRP 19 2HZ TRP 19 -9.893 -2.244 -10.544 126 HZ3 TRP 19 3HZ TRP 19 -5.799 -2.243 -11.745 127 HH2 TRP 19 HH TRP 19 -7.980 -1.151 -11.630 128 H VAL 20 H VAL 20 -5.447 -8.169 -5.876 129 HA VAL 20 HA VAL 20 -3.572 -10.036 -7.166 130 HB VAL 20 HB VAL 20 -2.171 -10.104 -5.221 131 HG11 VAL 20 1HG1 VAL 20 -2.382 -7.921 -6.894 132 HG12 VAL 20 2HG1 VAL 20 -2.302 -7.201 -5.284 133 HG13 VAL 20 3HG1 VAL 20 -1.025 -8.289 -5.830 134 HG21 VAL 20 3HG2 VAL 20 -3.460 -9.865 -3.339 135 HG22 VAL 20 1HG2 VAL 20 -2.716 -8.268 -3.417 136 HG23 VAL 20 2HG2 VAL 20 -4.364 -8.502 -3.998 137 H ALA 21 H ALA 21 -3.145 -11.858 -5.301 138 HA ALA 21 HA ALA 21 -5.828 -12.918 -4.747 139 HB1 ALA 21 3HB ALA 21 -4.893 -14.599 -5.933 140 HB2 ALA 21 1HB ALA 21 -3.247 -14.137 -5.499 141 HB3 ALA 21 2HB ALA 21 -4.238 -15.045 -4.357 142 HA PRO 22 HA PRO 22 -5.351 -12.809 -0.387 143 HB2 PRO 22 1HB PRO 22 -6.392 -15.192 0.391 144 HB3 PRO 22 2HB PRO 22 -7.385 -13.866 -0.226 145 HG2 PRO 22 1HG PRO 22 -6.379 -16.300 -1.650 146 HG3 PRO 22 2HG PRO 22 -7.984 -15.548 -1.716 147 HD2 PRO 22 1HD PRO 22 -6.118 -15.175 -3.644 148 HD3 PRO 22 2HD PRO 22 -7.299 -13.925 -3.203 149 H GLY 23 H GLY 23 -3.018 -12.842 -0.376 150 HA2 GLY 23 1HA GLY 23 -1.698 -14.338 1.336 151 HA3 GLY 23 2HA GLY 23 -1.758 -15.459 -0.016 152 H GLU 24 H GLU 24 -1.658 -12.769 -1.661 153 HA GLU 24 HA GLU 24 1.246 -12.830 -1.902 154 HB2 GLU 24 1HB GLU 24 -0.742 -11.349 -3.627 155 HB3 GLU 24 2HB GLU 24 0.942 -11.687 -4.001 156 HG2 GLU 24 1HG GLU 24 0.136 -14.184 -3.698 157 HG3 GLU 24 2HG GLU 24 -1.423 -13.471 -4.108 158 H ASP 25 H ASP 25 2.172 -10.557 -2.581 159 HA ASP 25 HA ASP 25 1.503 -8.744 -0.375 160 HB2 ASP 25 1HB ASP 25 3.719 -7.722 -0.836 161 HB3 ASP 25 2HB ASP 25 3.825 -9.436 -0.444 162 H VAL 26 H VAL 26 1.411 -6.454 -0.745 163 HA VAL 26 HA VAL 26 0.755 -5.709 -3.518 164 HB VAL 26 HB VAL 26 -0.762 -4.944 -1.022 165 HG11 VAL 26 1HG1 VAL 26 -1.404 -3.068 -2.018 166 HG12 VAL 26 2HG1 VAL 26 -0.355 -3.431 -3.390 167 HG13 VAL 26 3HG1 VAL 26 -2.026 -3.997 -3.381 168 HG21 VAL 26 3HG2 VAL 26 -2.632 -6.046 -2.051 169 HG22 VAL 26 1HG2 VAL 26 -1.709 -6.327 -3.528 170 HG23 VAL 26 2HG2 VAL 26 -1.266 -7.160 -2.038 171 H GLU 27 H GLU 27 1.539 -3.790 -4.221 172 HA GLU 27 HA GLU 27 2.906 -2.078 -2.252 173 HB2 GLU 27 1HB GLU 27 3.871 -2.691 -5.050 174 HB3 GLU 27 2HB GLU 27 4.673 -1.657 -3.876 175 HG2 GLU 27 1HG GLU 27 5.189 -3.498 -2.475 176 HG3 GLU 27 2HG GLU 27 4.150 -4.577 -3.405 177 H LEU 28 H LEU 28 2.532 0.064 -2.395 178 HA LEU 28 HA LEU 28 1.106 1.066 -4.765 179 HB2 LEU 28 1HB LEU 28 0.493 1.848 -1.921 180 HB3 LEU 28 2HB LEU 28 -0.343 2.395 -3.373 181 HG LEU 28 HG LEU 28 -0.319 -0.518 -2.720 182 HD11 LEU 28 1HD1 LEU 28 -1.367 1.514 -0.986 183 HD12 LEU 28 2HD1 LEU 28 -1.362 -0.237 -0.784 184 HD13 LEU 28 3HD1 LEU 28 -2.680 0.545 -1.655 185 HD21 LEU 28 3HD2 LEU 28 -1.916 -0.625 -4.279 186 HD22 LEU 28 1HD2 LEU 28 -1.400 0.998 -4.738 187 HD23 LEU 28 2HD2 LEU 28 -2.763 0.784 -3.638 188 H ARG 29 H ARG 29 2.789 2.175 -5.649 189 HA ARG 29 HA ARG 29 4.403 3.941 -3.999 190 HB2 ARG 29 1HB ARG 29 4.552 2.880 -6.770 191 HB3 ARG 29 2HB ARG 29 5.296 4.446 -6.473 192 HG2 ARG 29 1HG ARG 29 6.507 3.314 -4.536 193 HG3 ARG 29 2HG ARG 29 5.979 1.793 -5.258 194 HD2 ARG 29 1HD ARG 29 8.225 2.373 -5.998 195 HD3 ARG 29 2HD ARG 29 7.092 2.397 -7.348 196 HE ARG 29 HE ARG 29 7.107 4.967 -6.580 197 HH11 ARG 29 2HH1 ARG 29 9.678 2.712 -7.231 198 HH12 ARG 29 1HH1 ARG 29 10.786 3.930 -7.770 199 HH21 ARG 29 2HH2 ARG 29 8.556 6.580 -7.288 200 HH22 ARG 29 1HH2 ARG 29 10.147 6.130 -7.801 201 H CYS 30 H CYS 30 4.625 6.194 -4.403 202 HA CYS 30 HA CYS 30 2.509 7.444 -5.994 203 HB2 CYS 30 1HB CYS 30 1.618 8.694 -4.271 204 HB3 CYS 30 2HB CYS 30 2.001 7.200 -3.424 205 HG CYS 30 HG CYS 30 2.606 9.594 -1.924 206 H GLU 31 H GLU 31 2.903 10.022 -5.655 207 HA GLU 31 HA GLU 31 5.774 10.565 -5.827 208 HB2 GLU 31 1HB GLU 31 4.724 10.121 -8.129 209 HB3 GLU 31 2HB GLU 31 3.887 11.650 -7.906 210 HG2 GLU 31 1HG GLU 31 5.794 12.889 -8.113 211 HG3 GLU 31 2HG GLU 31 6.834 11.585 -7.544 212 H LEU 32 H LEU 32 6.367 12.674 -5.319 213 HA LEU 32 HA LEU 32 4.204 14.457 -4.427 214 HB2 LEU 32 1HB LEU 32 6.796 14.261 -2.942 215 HB3 LEU 32 2HB LEU 32 5.260 14.935 -2.404 216 HG LEU 32 HG LEU 32 5.564 11.995 -2.918 217 HD11 LEU 32 1HD1 LEU 32 7.002 13.462 -0.972 218 HD12 LEU 32 2HD1 LEU 32 6.882 11.713 -1.162 219 HD13 LEU 32 3HD1 LEU 32 5.729 12.570 -0.139 220 HD21 LEU 32 3HD2 LEU 32 3.350 13.358 -2.507 221 HD22 LEU 32 1HD2 LEU 32 3.854 13.235 -0.822 222 HD23 LEU 32 2HD2 LEU 32 3.596 11.773 -1.774 223 H SER 33 H SER 33 4.382 16.509 -5.086 224 HA SER 33 HA SER 33 6.176 17.304 -7.043 225 HB2 SER 33 1HB SER 33 4.069 18.471 -6.680 226 HB3 SER 33 2HB SER 33 4.619 19.027 -5.099 227 HG SER 33 HG SER 33 5.094 20.701 -6.371 228 H ARG 34 H ARG 34 6.540 17.262 -3.605 229 HA ARG 34 HA ARG 34 9.276 18.249 -3.905 230 HB2 ARG 34 1HB ARG 34 8.173 20.233 -3.200 231 HB3 ARG 34 2HB ARG 34 7.217 19.363 -2.007 232 HG2 ARG 34 1HG ARG 34 9.360 18.865 -0.800 233 HG3 ARG 34 2HG ARG 34 10.156 19.981 -1.910 234 HD2 ARG 34 1HD ARG 34 8.262 21.616 -1.165 235 HD3 ARG 34 2HD ARG 34 8.142 20.536 0.224 236 HE ARG 34 HE ARG 34 10.801 21.112 0.040 237 HH11 ARG 34 2HH1 ARG 34 7.889 23.002 0.297 238 HH12 ARG 34 1HH1 ARG 34 8.654 24.305 1.146 239 HH21 ARG 34 2HH2 ARG 34 11.820 22.820 1.158 240 HH22 ARG 34 1HH2 ARG 34 10.890 24.200 1.634 241 H ALA 35 H ALA 35 10.742 17.303 -2.545 242 HA ALA 35 HA ALA 35 10.036 14.824 -1.367 243 HB1 ALA 35 3HB ALA 35 12.448 16.271 -1.955 244 HB2 ALA 35 1HB ALA 35 12.527 15.577 -0.335 245 HB3 ALA 35 2HB ALA 35 12.209 14.538 -1.725 246 H GLY 36 H GLY 36 11.175 14.489 0.987 247 HA2 GLY 36 1HA GLY 36 10.825 14.735 3.242 248 HA3 GLY 36 2HA GLY 36 10.940 16.462 2.938 249 H THR 37 H THR 37 8.461 14.816 1.249 250 HA THR 37 HA THR 37 6.461 16.145 2.913 251 HB THR 37 HB THR 37 6.107 14.766 0.245 252 HG1 THR 37 1HG THR 37 5.935 17.041 -0.445 253 HG21 THR 37 3HG2 THR 37 4.267 16.673 1.691 254 HG22 THR 37 1HG2 THR 37 4.064 14.922 1.661 255 HG23 THR 37 2HG2 THR 37 3.955 15.849 0.164 256 HA PRO 38 HA PRO 38 5.836 12.080 4.771 257 HB2 PRO 38 1HB PRO 38 4.319 13.010 6.821 258 HB3 PRO 38 2HB PRO 38 6.084 13.097 6.816 259 HG2 PRO 38 1HG PRO 38 4.082 15.220 6.150 260 HG3 PRO 38 2HG PRO 38 5.569 15.346 7.108 261 HD2 PRO 38 1HD PRO 38 5.426 16.151 4.527 262 HD3 PRO 38 2HD PRO 38 6.910 15.486 5.239 263 H VAL 39 H VAL 39 4.143 10.653 4.703 264 HA VAL 39 HA VAL 39 1.634 11.672 3.545 265 HB VAL 39 HB VAL 39 3.076 9.968 2.261 266 HG11 VAL 39 1HG1 VAL 39 3.099 7.750 2.892 267 HG12 VAL 39 2HG1 VAL 39 3.237 8.563 4.453 268 HG13 VAL 39 3HG1 VAL 39 1.681 7.919 3.927 269 HG21 VAL 39 3HG2 VAL 39 0.278 8.993 2.651 270 HG22 VAL 39 1HG2 VAL 39 0.563 10.607 2.000 271 HG23 VAL 39 2HG2 VAL 39 1.199 9.193 1.160 272 H HIS 40 H HIS 40 -0.330 10.389 4.104 273 HA HIS 40 HA HIS 40 -0.213 9.323 6.844 274 HB2 HIS 40 1HB HIS 40 -1.199 11.761 6.416 275 HB3 HIS 40 2HB HIS 40 -2.638 10.835 5.998 276 HD1 HIS 40 1HD HIS 40 -2.446 12.709 8.500 277 HD2 HIS 40 2HD HIS 40 -1.899 8.590 8.534 278 HE1 HIS 40 1HE HIS 40 -2.930 11.986 10.860 279 HE2 HIS 40 2HE HIS 40 -2.510 9.502 10.876 280 H TRP 41 H TRP 41 -0.188 7.253 5.749 281 HA TRP 41 HA TRP 41 -2.204 6.371 4.010 282 HB2 TRP 41 1HB TRP 41 -0.487 4.805 5.947 283 HB3 TRP 41 2HB TRP 41 -1.490 4.080 4.694 284 HD1 TRP 41 HD TRP 41 1.800 5.906 5.211 285 HE1 TRP 41 1HE TRP 41 3.145 5.850 3.018 286 HE3 TRP 41 3HE TRP 41 -1.792 4.013 2.104 287 HZ2 TRP 41 2HZ TRP 41 2.738 5.102 0.327 288 HZ3 TRP 41 3HZ TRP 41 -1.233 3.657 -0.265 289 HH2 TRP 41 HH TRP 41 0.986 4.192 -1.134 290 H LEU 42 H LEU 42 -4.308 6.333 4.427 291 HA LEU 42 HA LEU 42 -5.194 5.583 7.135 292 HB2 LEU 42 1HB LEU 42 -6.656 7.203 5.055 293 HB3 LEU 42 2HB LEU 42 -7.250 6.811 6.667 294 HG LEU 42 HG LEU 42 -4.688 8.309 6.432 295 HD11 LEU 42 1HD1 LEU 42 -5.541 10.138 5.513 296 HD12 LEU 42 2HD1 LEU 42 -6.924 10.110 6.606 297 HD13 LEU 42 3HD1 LEU 42 -6.974 9.198 5.098 298 HD21 LEU 42 3HD2 LEU 42 -5.187 7.887 8.636 299 HD22 LEU 42 1HD2 LEU 42 -6.928 8.005 8.379 300 HD23 LEU 42 2HD2 LEU 42 -5.941 9.467 8.416 301 H LYS 43 H LYS 43 -6.324 3.767 7.369 302 HA LYS 43 HA LYS 43 -7.364 2.459 4.942 303 HB2 LYS 43 1HB LYS 43 -5.604 1.138 5.896 304 HB3 LYS 43 2HB LYS 43 -6.292 1.281 7.508 305 HG2 LYS 43 1HG LYS 43 -7.002 -0.809 6.989 306 HG3 LYS 43 2HG LYS 43 -8.357 0.115 6.335 307 HD2 LYS 43 1HD LYS 43 -7.733 -0.253 4.159 308 HD3 LYS 43 2HD LYS 43 -6.025 -0.429 4.565 309 HE2 LYS 43 1HE LYS 43 -6.758 -2.583 3.955 310 HE3 LYS 43 2HE LYS 43 -6.667 -2.594 5.716 311 HZ1 LYS 43 3HZ LYS 43 -8.995 -2.762 3.977 312 HZ2 LYS 43 1HZ LYS 43 -9.183 -1.852 5.391 313 HZ3 LYS 43 2HZ LYS 43 -8.715 -3.475 5.486 314 H ASP 44 H ASP 44 -9.476 2.951 4.846 315 HA ASP 44 HA ASP 44 -11.684 3.054 5.382 316 HB2 ASP 44 1HB ASP 44 -10.972 0.620 6.104 317 HB3 ASP 44 2HB ASP 44 -11.260 1.244 7.726 318 H ARG 45 H ARG 45 -10.193 5.128 6.366 319 HA ARG 45 HA ARG 45 -10.395 6.904 7.778 320 HB2 ARG 45 1HB ARG 45 -12.651 5.400 9.106 321 HB3 ARG 45 2HB ARG 45 -12.349 7.131 9.156 322 HG2 ARG 45 1HG ARG 45 -12.767 5.871 6.502 323 HG3 ARG 45 2HG ARG 45 -14.165 6.073 7.561 324 HD2 ARG 45 1HD ARG 45 -12.289 8.349 7.038 325 HD3 ARG 45 2HD ARG 45 -13.571 7.956 5.893 326 HE ARG 45 HE ARG 45 -14.770 8.120 8.376 327 HH11 ARG 45 2HH1 ARG 45 -12.984 10.226 6.257 328 HH12 ARG 45 1HH1 ARG 45 -13.782 11.665 6.801 329 HH21 ARG 45 2HH2 ARG 45 -15.828 10.006 9.100 330 HH22 ARG 45 1HH2 ARG 45 -15.399 11.539 8.419 331 H LYS 46 H LYS 46 -8.506 4.965 8.344 332 HA LYS 46 HA LYS 46 -8.241 5.315 11.225 333 HB2 LYS 46 1HB LYS 46 -8.010 2.619 9.875 334 HB3 LYS 46 2HB LYS 46 -7.571 2.953 11.545 335 HG2 LYS 46 1HG LYS 46 -10.338 3.346 10.432 336 HG3 LYS 46 2HG LYS 46 -9.796 1.874 11.243 337 HD2 LYS 46 1HD LYS 46 -9.550 2.957 13.299 338 HD3 LYS 46 2HD LYS 46 -9.528 4.558 12.556 339 HE2 LYS 46 1HE LYS 46 -11.649 4.475 13.467 340 HE3 LYS 46 2HE LYS 46 -11.941 3.958 11.807 341 HZ1 LYS 46 3HZ LYS 46 -11.463 2.022 13.993 342 HZ2 LYS 46 1HZ LYS 46 -12.136 1.735 12.467 343 HZ3 LYS 46 2HZ LYS 46 -13.011 2.599 13.628 344 H ALA 47 H ALA 47 -6.232 5.896 11.761 345 HA ALA 47 HA ALA 47 -4.262 6.390 9.825 346 HB1 ALA 47 3HB ALA 47 -2.787 6.895 11.716 347 HB2 ALA 47 1HB ALA 47 -4.376 7.636 11.908 348 HB3 ALA 47 2HB ALA 47 -3.965 6.183 12.819 349 H ILE 48 H ILE 48 -2.994 5.006 8.795 350 HA ILE 48 HA ILE 48 -2.685 2.293 9.702 351 HB ILE 48 HB ILE 48 -1.416 3.715 7.358 352 HG12 ILE 48 1HG1 ILE 48 -3.772 1.818 7.463 353 HG13 ILE 48 2HG1 ILE 48 -3.890 3.563 7.267 354 HG21 ILE 48 1HG2 ILE 48 -0.993 1.084 8.505 355 HG22 ILE 48 2HG2 ILE 48 -1.497 1.006 6.818 356 HG23 ILE 48 3HG2 ILE 48 -0.071 1.940 7.269 357 HD11 ILE 48 3HD1 ILE 48 -3.815 1.741 5.245 358 HD12 ILE 48 1HD1 ILE 48 -3.435 3.456 5.090 359 HD13 ILE 48 2HD1 ILE 48 -2.138 2.283 5.320 360 H ARG 49 H ARG 49 -0.819 1.279 10.393 361 HA ARG 49 HA ARG 49 1.298 3.086 11.340 362 HB2 ARG 49 1HB ARG 49 0.388 0.382 12.325 363 HB3 ARG 49 2HB ARG 49 1.854 1.170 12.893 364 HG2 ARG 49 1HG ARG 49 -0.762 2.603 13.034 365 HG3 ARG 49 2HG ARG 49 -0.339 1.396 14.251 366 HD2 ARG 49 1HD ARG 49 1.697 2.618 14.779 367 HD3 ARG 49 2HD ARG 49 1.330 3.801 13.524 368 HE ARG 49 HE ARG 49 -0.809 3.641 15.359 369 HH11 ARG 49 2HH1 ARG 49 2.453 4.823 15.075 370 HH12 ARG 49 1HH1 ARG 49 2.232 6.093 16.233 371 HH21 ARG 49 2HH2 ARG 49 -1.112 5.309 16.885 372 HH22 ARG 49 1HH2 ARG 49 0.204 6.368 17.263 373 H LYS 50 H LYS 50 3.507 2.111 11.439 374 HA LYS 50 HA LYS 50 4.022 0.616 8.962 375 HB2 LYS 50 1HB LYS 50 5.098 2.775 8.996 376 HB3 LYS 50 2HB LYS 50 5.789 2.455 10.582 377 HG2 LYS 50 1HG LYS 50 7.205 0.730 9.661 378 HG3 LYS 50 2HG LYS 50 6.457 0.927 8.074 379 HD2 LYS 50 1HD LYS 50 8.308 2.226 7.773 380 HD3 LYS 50 2HD LYS 50 7.217 3.441 8.443 381 HE2 LYS 50 1HE LYS 50 8.855 1.832 10.331 382 HE3 LYS 50 2HE LYS 50 9.666 3.081 9.387 383 HZ1 LYS 50 3HZ LYS 50 8.431 4.746 10.371 384 HZ2 LYS 50 1HZ LYS 50 8.679 3.687 11.666 385 HZ3 LYS 50 2HZ LYS 50 7.192 3.704 10.861 386 H SER 51 H SER 51 4.324 -1.486 9.273 387 HA SER 51 HA SER 51 6.306 -2.409 11.145 388 HB2 SER 51 1HB SER 51 3.939 -2.196 12.319 389 HB3 SER 51 2HB SER 51 3.649 -3.730 11.498 390 HG SER 51 HG SER 51 4.889 -4.671 12.901 391 H GLN 52 H GLN 52 6.095 -5.010 11.143 392 HA GLN 52 HA GLN 52 6.977 -5.950 8.769 393 HB2 GLN 52 1HB GLN 52 6.274 -8.200 9.478 394 HB3 GLN 52 2HB GLN 52 7.008 -7.296 10.795 395 HG2 GLN 52 1HG GLN 52 4.794 -6.789 11.686 396 HG3 GLN 52 2HG GLN 52 4.056 -7.693 10.365 397 HE21 GLN 52 1HE2 GLN 52 3.442 -8.382 12.893 398 HE22 GLN 52 2HE2 GLN 52 4.175 -9.890 13.309 399 H LYS 53 H LYS 53 3.612 -5.547 9.709 400 HA LYS 53 HA LYS 53 2.534 -6.836 7.398 401 HB2 LYS 53 1HB LYS 53 1.197 -6.715 9.399 402 HB3 LYS 53 2HB LYS 53 1.309 -4.960 9.425 403 HG2 LYS 53 1HG LYS 53 -0.874 -5.843 8.630 404 HG3 LYS 53 2HG LYS 53 -0.066 -4.768 7.487 405 HD2 LYS 53 1HD LYS 53 0.364 -6.450 6.000 406 HD3 LYS 53 2HD LYS 53 0.448 -7.687 7.257 407 HE2 LYS 53 1HE LYS 53 -1.529 -8.204 6.166 408 HE3 LYS 53 2HE LYS 53 -2.085 -7.237 7.531 409 HZ1 LYS 53 3HZ LYS 53 -3.020 -5.842 6.111 410 HZ2 LYS 53 1HZ LYS 53 -2.480 -6.767 4.802 411 HZ3 LYS 53 2HZ LYS 53 -1.520 -5.511 5.403 412 H TYR 54 H TYR 54 2.436 -3.407 8.387 413 HA TYR 54 HA TYR 54 2.227 -2.676 5.551 414 HB2 TYR 54 1HB TYR 54 1.606 -1.091 8.051 415 HB3 TYR 54 2HB TYR 54 1.475 -0.461 6.412 416 HD1 TYR 54 2HD TYR 54 0.035 -2.114 4.811 417 HD2 TYR 54 1HD TYR 54 -0.360 -1.766 9.033 418 HE1 TYR 54 2HE TYR 54 -2.266 -2.971 4.661 419 HE2 TYR 54 1HE TYR 54 -2.661 -2.624 8.895 420 HH TYR 54 HH TYR 54 -4.137 -3.724 7.528 421 H ASP 55 H ASP 55 4.160 -2.331 4.668 422 HA ASP 55 HA ASP 55 6.215 -0.941 6.244 423 HB2 ASP 55 1HB ASP 55 6.794 -2.224 3.604 424 HB3 ASP 55 2HB ASP 55 7.847 -2.015 5.000 425 H VAL 56 H VAL 56 5.796 1.196 5.973 426 HA VAL 56 HA VAL 56 5.219 2.250 3.324 427 HB VAL 56 HB VAL 56 3.906 3.317 4.927 428 HG11 VAL 56 1HG1 VAL 56 4.820 2.595 6.964 429 HG12 VAL 56 2HG1 VAL 56 6.378 3.356 6.633 430 HG13 VAL 56 3HG1 VAL 56 4.970 4.352 7.002 431 HG21 VAL 56 3HG2 VAL 56 4.347 5.469 4.437 432 HG22 VAL 56 1HG2 VAL 56 5.981 5.390 5.096 433 HG23 VAL 56 2HG2 VAL 56 5.656 4.792 3.469 434 H VAL 57 H VAL 57 6.807 2.774 1.986 435 HA VAL 57 HA VAL 57 9.451 3.422 3.075 436 HB VAL 57 HB VAL 57 8.597 2.674 0.277 437 HG11 VAL 57 1HG1 VAL 57 10.409 3.807 -0.381 438 HG12 VAL 57 2HG1 VAL 57 11.016 3.972 1.268 439 HG13 VAL 57 3HG1 VAL 57 11.333 2.497 0.353 440 HG21 VAL 57 3HG2 VAL 57 10.132 1.222 2.424 441 HG22 VAL 57 1HG2 VAL 57 8.596 0.760 1.690 442 HG23 VAL 57 2HG2 VAL 57 10.081 0.698 0.740 443 H CYS 58 H CYS 58 8.822 5.569 3.718 444 HA CYS 58 HA CYS 58 8.170 7.446 1.587 445 HB2 CYS 58 1HB CYS 58 6.921 7.727 3.624 446 HB3 CYS 58 2HB CYS 58 8.396 7.767 4.583 447 HG CYS 58 HG CYS 58 7.210 10.185 2.485 448 H GLU 59 H GLU 59 10.089 7.500 0.403 449 HA GLU 59 HA GLU 59 12.386 8.707 1.801 450 HB2 GLU 59 1HB GLU 59 12.248 6.717 -0.439 451 HB3 GLU 59 2HB GLU 59 13.654 7.759 -0.272 452 HG2 GLU 59 1HG GLU 59 12.671 6.141 2.042 453 HG3 GLU 59 2HG GLU 59 13.691 5.419 0.798 454 H GLY 60 H GLY 60 11.912 10.850 1.470 455 HA2 GLY 60 1HA GLY 60 11.875 12.847 0.340 456 HA3 GLY 60 2HA GLY 60 12.662 12.003 -0.985 457 H THR 61 H THR 61 11.594 12.336 -2.809 458 HA THR 61 HA THR 61 8.733 12.827 -2.778 459 HB THR 61 HB THR 61 8.987 13.286 -5.187 460 HG1 THR 61 1HG THR 61 10.710 12.613 -6.207 461 HG21 THR 61 3HG2 THR 61 9.481 15.002 -3.375 462 HG22 THR 61 1HG2 THR 61 10.152 15.331 -4.972 463 HG23 THR 61 2HG2 THR 61 11.188 14.695 -3.693 464 H MET 62 H MET 62 9.496 10.198 -2.023 465 HA MET 62 HA MET 62 7.963 8.707 -3.981 466 HB2 MET 62 1HB MET 62 10.185 8.355 -4.841 467 HB3 MET 62 2HB MET 62 10.793 7.959 -3.239 468 HG2 MET 62 1HG MET 62 10.242 6.089 -4.988 469 HG3 MET 62 2HG MET 62 9.926 5.858 -3.270 470 HE1 MET 62 3HE MET 62 6.415 4.798 -3.205 471 HE2 MET 62 1HE MET 62 8.035 4.101 -3.241 472 HE3 MET 62 2HE MET 62 7.701 5.501 -2.222 473 H ALA 63 H ALA 63 6.380 8.079 -2.641 474 HA ALA 63 HA ALA 63 7.159 6.721 -0.142 475 HB1 ALA 63 3HB ALA 63 4.503 8.058 -0.542 476 HB2 ALA 63 1HB ALA 63 5.283 7.574 0.964 477 HB3 ALA 63 2HB ALA 63 5.910 8.944 0.046 478 H MET 64 H MET 64 6.585 4.653 0.041 479 HA MET 64 HA MET 64 4.441 3.636 -1.704 480 HB2 MET 64 1HB MET 64 6.573 2.890 -2.588 481 HB3 MET 64 2HB MET 64 7.059 2.295 -1.006 482 HG2 MET 64 1HG MET 64 5.392 0.578 -1.071 483 HG3 MET 64 2HG MET 64 4.711 1.237 -2.557 484 HE1 MET 64 3HE MET 64 8.905 -0.587 -2.224 485 HE2 MET 64 1HE MET 64 8.108 0.479 -1.067 486 HE3 MET 64 2HE MET 64 7.641 -1.219 -1.167 487 H LEU 65 H LEU 65 3.629 1.447 -0.911 488 HA LEU 65 HA LEU 65 3.761 1.150 1.991 489 HB2 LEU 65 1HB LEU 65 1.878 2.654 1.572 490 HB3 LEU 65 2HB LEU 65 1.179 1.473 0.466 491 HG LEU 65 HG LEU 65 1.047 -0.097 2.459 492 HD11 LEU 65 1HD1 LEU 65 1.300 0.693 4.620 493 HD12 LEU 65 2HD1 LEU 65 1.202 2.383 4.125 494 HD13 LEU 65 3HD1 LEU 65 2.654 1.444 3.776 495 HD21 LEU 65 3HD2 LEU 65 -1.096 0.479 2.452 496 HD22 LEU 65 1HD2 LEU 65 -0.664 1.923 1.536 497 HD23 LEU 65 2HD2 LEU 65 -0.742 1.986 3.297 498 H VAL 66 H VAL 66 4.443 -0.885 2.170 499 HA VAL 66 HA VAL 66 3.541 -2.916 0.287 500 HB VAL 66 HB VAL 66 5.429 -3.307 2.605 501 HG11 VAL 66 1HG1 VAL 66 6.179 -4.948 0.530 502 HG12 VAL 66 2HG1 VAL 66 5.223 -5.429 1.933 503 HG13 VAL 66 3HG1 VAL 66 4.418 -4.965 0.434 504 HG21 VAL 66 3HG2 VAL 66 5.840 -1.609 0.426 505 HG22 VAL 66 1HG2 VAL 66 7.056 -2.221 1.547 506 HG23 VAL 66 2HG2 VAL 66 6.730 -3.082 0.043 507 H ILE 67 H ILE 67 2.245 -4.621 0.780 508 HA ILE 67 HA ILE 67 1.161 -4.728 3.520 509 HB ILE 67 HB ILE 67 -0.345 -5.264 0.957 510 HG12 ILE 67 1HG1 ILE 67 -1.020 -3.103 2.918 511 HG13 ILE 67 2HG1 ILE 67 0.256 -2.828 1.738 512 HG21 ILE 67 1HG2 ILE 67 -2.132 -4.997 3.071 513 HG22 ILE 67 2HG2 ILE 67 -1.694 -6.485 2.233 514 HG23 ILE 67 3HG2 ILE 67 -0.837 -6.015 3.700 515 HD11 ILE 67 3HD1 ILE 67 -2.183 -2.109 1.222 516 HD12 ILE 67 1HD1 ILE 67 -1.199 -2.855 -0.037 517 HD13 ILE 67 2HD1 ILE 67 -2.403 -3.813 0.825 518 H ARG 68 H ARG 68 2.378 -6.418 4.269 519 HA ARG 68 HA ARG 68 2.993 -8.751 2.819 520 HB2 ARG 68 1HB ARG 68 2.893 -8.191 5.782 521 HB3 ARG 68 2HB ARG 68 3.439 -9.725 5.117 522 HG2 ARG 68 1HG ARG 68 4.672 -7.050 4.492 523 HG3 ARG 68 2HG ARG 68 5.282 -8.189 5.694 524 HD2 ARG 68 1HD ARG 68 5.423 -9.886 3.829 525 HD3 ARG 68 2HD ARG 68 5.104 -8.560 2.713 526 HE ARG 68 HE ARG 68 7.292 -8.021 4.476 527 HH11 ARG 68 2HH1 ARG 68 6.362 -9.615 1.524 528 HH12 ARG 68 1HH1 ARG 68 7.950 -9.550 0.835 529 HH21 ARG 68 2HH2 ARG 68 9.387 -7.929 3.580 530 HH22 ARG 68 1HH2 ARG 68 9.671 -8.591 2.006 531 H GLY 69 H GLY 69 1.923 -10.618 2.488 532 HA2 GLY 69 1HA GLY 69 0.090 -11.999 2.291 533 HA3 GLY 69 2HA GLY 69 0.041 -11.859 4.042 534 H ALA 70 H ALA 70 -1.074 -10.346 1.044 535 HA ALA 70 HA ALA 70 -3.076 -8.793 2.441 536 HB1 ALA 70 3HB ALA 70 -1.786 -8.621 -0.052 537 HB2 ALA 70 1HB ALA 70 -3.502 -8.856 -0.387 538 HB3 ALA 70 2HB ALA 70 -2.977 -7.514 0.631 539 H SER 71 H SER 71 -4.660 -10.016 3.311 540 HA SER 71 HA SER 71 -5.799 -12.232 1.815 541 HB2 SER 71 1HB SER 71 -6.439 -11.158 4.573 542 HB3 SER 71 2HB SER 71 -7.147 -12.609 3.864 543 HG SER 71 HG SER 71 -4.395 -12.525 3.811 544 H LEU 72 H LEU 72 -8.286 -12.402 1.941 545 HA LEU 72 HA LEU 72 -9.438 -10.551 0.269 546 HB2 LEU 72 1HB LEU 72 -10.919 -12.125 2.366 547 HB3 LEU 72 2HB LEU 72 -11.574 -11.488 0.859 548 HG LEU 72 HG LEU 72 -9.482 -13.654 1.047 549 HD11 LEU 72 1HD1 LEU 72 -11.696 -14.323 1.946 550 HD12 LEU 72 2HD1 LEU 72 -11.223 -15.210 0.498 551 HD13 LEU 72 3HD1 LEU 72 -12.411 -13.911 0.387 552 HD21 LEU 72 3HD2 LEU 72 -9.307 -13.567 -1.176 553 HD22 LEU 72 1HD2 LEU 72 -10.061 -11.977 -1.054 554 HD23 LEU 72 2HD2 LEU 72 -11.049 -13.398 -1.394 555 H LYS 73 H LYS 73 -9.360 -10.557 3.793 556 HA LYS 73 HA LYS 73 -11.105 -8.335 4.127 557 HB2 LYS 73 1HB LYS 73 -10.524 -10.074 5.875 558 HB3 LYS 73 2HB LYS 73 -8.977 -9.259 6.059 559 HG2 LYS 73 1HG LYS 73 -10.290 -7.161 6.571 560 HG3 LYS 73 2HG LYS 73 -11.716 -8.195 6.677 561 HD2 LYS 73 1HD LYS 73 -11.058 -8.170 8.874 562 HD3 LYS 73 2HD LYS 73 -10.180 -9.589 8.297 563 HE2 LYS 73 1HE LYS 73 -8.704 -8.214 9.620 564 HE3 LYS 73 2HE LYS 73 -8.193 -8.167 7.934 565 HZ1 LYS 73 3HZ LYS 73 -9.855 -6.080 9.237 566 HZ2 LYS 73 1HZ LYS 73 -9.199 -6.025 7.679 567 HZ3 LYS 73 2HZ LYS 73 -8.180 -5.973 9.028 568 H ASP 74 H ASP 74 -7.570 -8.677 4.129 569 HA ASP 74 HA ASP 74 -6.751 -6.166 4.782 570 HB2 ASP 74 1HB ASP 74 -5.686 -8.131 2.775 571 HB3 ASP 74 2HB ASP 74 -4.905 -6.568 2.993 572 H ALA 75 H ALA 75 -8.229 -7.189 1.775 573 HA ALA 75 HA ALA 75 -7.660 -4.990 0.165 574 HB1 ALA 75 3HB ALA 75 -8.789 -6.266 -1.254 575 HB2 ALA 75 1HB ALA 75 -9.406 -7.248 0.075 576 HB3 ALA 75 2HB ALA 75 -10.287 -5.810 -0.444 577 H GLY 76 H GLY 76 -8.078 -2.909 0.478 578 HA2 GLY 76 1HA GLY 76 -10.713 -2.052 1.316 579 HA3 GLY 76 2HA GLY 76 -9.435 -1.696 2.468 580 H GLU 77 H GLU 77 -9.919 0.548 2.155 581 HA GLU 77 HA GLU 77 -8.934 1.618 -0.407 582 HB2 GLU 77 1HB GLU 77 -11.236 2.236 -0.042 583 HB3 GLU 77 2HB GLU 77 -10.875 2.798 1.584 584 HG2 GLU 77 1HG GLU 77 -9.304 4.472 0.452 585 HG3 GLU 77 2HG GLU 77 -10.152 4.054 -1.036 586 H TYR 78 H TYR 78 -6.930 2.361 -0.277 587 HA TYR 78 HA TYR 78 -5.909 3.328 2.287 588 HB2 TYR 78 1HB TYR 78 -4.500 2.623 -0.293 589 HB3 TYR 78 2HB TYR 78 -3.687 3.239 1.141 590 HD1 TYR 78 2HD TYR 78 -5.824 0.434 -0.050 591 HD2 TYR 78 1HD TYR 78 -2.967 1.768 2.807 592 HE1 TYR 78 2HE TYR 78 -5.626 -1.860 0.815 593 HE2 TYR 78 1HE TYR 78 -2.761 -0.522 3.679 594 HH TYR 78 HH TYR 78 -3.944 -3.221 2.052 595 H THR 79 H THR 79 -6.175 5.424 2.660 596 HA THR 79 HA THR 79 -6.045 7.306 0.407 597 HB THR 79 HB THR 79 -7.191 7.653 3.183 598 HG1 THR 79 1HG THR 79 -8.238 7.088 0.652 599 HG21 THR 79 3HG2 THR 79 -6.139 9.633 1.507 600 HG22 THR 79 1HG2 THR 79 -7.186 9.867 2.907 601 HG23 THR 79 2HG2 THR 79 -7.888 9.718 1.295 602 H CYS 80 H CYS 80 -4.038 8.046 0.113 603 HA CYS 80 HA CYS 80 -2.242 8.413 2.363 604 HB2 CYS 80 1HB CYS 80 -1.981 8.343 -0.592 605 HB3 CYS 80 2HB CYS 80 -0.823 9.344 0.275 606 HG CYS 80 HG CYS 80 -0.120 7.108 1.990 607 H GLU 81 H GLU 81 -3.371 10.114 3.434 608 HA GLU 81 HA GLU 81 -3.840 12.618 2.121 609 HB2 GLU 81 1HB GLU 81 -5.056 11.622 4.178 610 HB3 GLU 81 2HB GLU 81 -3.702 12.258 5.101 611 HG2 GLU 81 1HG GLU 81 -4.267 14.480 3.861 612 HG3 GLU 81 2HG GLU 81 -5.837 13.716 3.619 613 H VAL 82 H VAL 82 -2.377 14.120 1.694 614 HA VAL 82 HA VAL 82 0.183 14.060 3.130 615 HB VAL 82 HB VAL 82 -0.081 14.028 0.515 616 HG11 VAL 82 1HG1 VAL 82 -1.487 16.081 0.500 617 HG12 VAL 82 2HG1 VAL 82 -0.080 16.995 1.048 618 HG13 VAL 82 3HG1 VAL 82 -0.055 16.191 -0.522 619 HG21 VAL 82 3HG2 VAL 82 1.943 14.811 2.317 620 HG22 VAL 82 1HG2 VAL 82 2.126 14.201 0.672 621 HG23 VAL 82 2HG2 VAL 82 1.999 15.936 0.960 622 H GLU 83 H GLU 83 1.172 16.501 2.906 623 HA GLU 83 HA GLU 83 0.428 18.000 4.946 624 HB2 GLU 83 1HB GLU 83 0.758 19.666 2.526 625 HB3 GLU 83 2HB GLU 83 1.625 19.714 4.055 626 HG2 GLU 83 1HG GLU 83 2.061 17.746 1.821 627 HG3 GLU 83 2HG GLU 83 3.109 19.097 2.249 628 H ALA 84 H ALA 84 -0.905 18.898 1.763 629 HA ALA 84 HA ALA 84 -3.399 19.664 3.137 630 HB1 ALA 84 3HB ALA 84 -3.676 21.331 1.272 631 HB2 ALA 84 1HB ALA 84 -2.357 21.662 2.396 632 HB3 ALA 84 2HB ALA 84 -2.012 20.973 0.809 633 H SER 85 H SER 85 -1.932 18.033 0.435 634 HA SER 85 HA SER 85 -4.487 17.500 -0.841 635 HB2 SER 85 1HB SER 85 -2.174 17.902 -2.003 636 HB3 SER 85 2HB SER 85 -1.914 16.191 -1.660 637 HG SER 85 HG SER 85 -4.370 16.652 -2.724 638 H LYS 86 H LYS 86 -4.506 15.030 -1.696 639 HA LYS 86 HA LYS 86 -3.648 13.011 0.067 640 HB2 LYS 86 1HB LYS 86 -5.720 12.432 1.184 641 HB3 LYS 86 2HB LYS 86 -5.277 14.086 1.585 642 HG2 LYS 86 1HG LYS 86 -7.055 14.977 0.494 643 HG3 LYS 86 2HG LYS 86 -7.098 13.693 -0.717 644 HD2 LYS 86 1HD LYS 86 -7.947 12.157 1.070 645 HD3 LYS 86 2HD LYS 86 -8.077 13.561 2.133 646 HE2 LYS 86 1HE LYS 86 -10.227 13.138 1.158 647 HE3 LYS 86 2HE LYS 86 -9.575 14.617 0.455 648 HZ1 LYS 86 3HZ LYS 86 -9.277 13.638 -1.567 649 HZ2 LYS 86 1HZ LYS 86 -10.628 12.767 -1.038 650 HZ3 LYS 86 2HZ LYS 86 -9.086 12.082 -0.930 651 H SER 87 H SER 87 -4.019 10.990 -0.767 652 HA SER 87 HA SER 87 -5.523 10.916 -3.298 653 HB2 SER 87 1HB SER 87 -3.116 10.492 -3.560 654 HB3 SER 87 2HB SER 87 -3.218 9.171 -2.396 655 HG SER 87 HG SER 87 -4.417 8.001 -3.825 656 H THR 88 H THR 88 -6.310 8.635 -3.843 657 HA THR 88 HA THR 88 -7.074 7.030 -1.551 658 HB THR 88 HB THR 88 -9.232 8.197 -3.315 659 HG1 THR 88 1HG THR 88 -9.076 9.868 -2.031 660 HG21 THR 88 3HG2 THR 88 -10.061 7.165 -0.755 661 HG22 THR 88 1HG2 THR 88 -9.192 5.932 -1.668 662 HG23 THR 88 2HG2 THR 88 -10.607 6.716 -2.371 663 H ALA 89 H ALA 89 -7.233 4.928 -2.072 664 HA ALA 89 HA ALA 89 -7.655 4.190 -4.881 665 HB1 ALA 89 3HB ALA 89 -5.635 2.628 -3.371 666 HB2 ALA 89 1HB ALA 89 -5.739 2.983 -5.095 667 HB3 ALA 89 2HB ALA 89 -5.162 4.216 -3.974 668 H SER 90 H SER 90 -7.950 1.730 -5.055 669 HA SER 90 HA SER 90 -9.332 0.669 -2.689 670 HB2 SER 90 1HB SER 90 -10.419 0.933 -5.485 671 HB3 SER 90 2HB SER 90 -11.037 -0.292 -4.376 672 HG SER 90 HG SER 90 -10.952 1.993 -3.054 673 H LEU 91 H LEU 91 -8.088 -1.015 -2.156 674 HA LEU 91 HA LEU 91 -6.694 -2.587 -4.112 675 HB2 LEU 91 1HB LEU 91 -5.590 -2.314 -2.055 676 HB3 LEU 91 2HB LEU 91 -7.024 -2.761 -1.134 677 HG LEU 91 HG LEU 91 -6.767 -5.085 -1.884 678 HD11 LEU 91 1HD1 LEU 91 -4.035 -4.639 -2.885 679 HD12 LEU 91 2HD1 LEU 91 -5.339 -4.111 -3.948 680 HD13 LEU 91 3HD1 LEU 91 -5.267 -5.788 -3.408 681 HD21 LEU 91 3HD2 LEU 91 -5.135 -3.669 -0.067 682 HD22 LEU 91 1HD2 LEU 91 -4.108 -4.853 -0.877 683 HD23 LEU 91 2HD2 LEU 91 -5.569 -5.379 -0.041 684 H HIS 92 H HIS 92 -7.006 -4.799 -4.563 685 HA HIS 92 HA HIS 92 -9.616 -5.910 -3.792 686 HB2 HIS 92 1HB HIS 92 -8.465 -5.997 -6.588 687 HB3 HIS 92 2HB HIS 92 -9.993 -6.703 -6.068 688 HD1 HIS 92 1HD HIS 92 -11.882 -4.952 -5.353 689 HD2 HIS 92 2HD HIS 92 -8.598 -3.370 -7.347 690 HE1 HIS 92 1HE HIS 92 -12.604 -2.673 -6.135 691 HE2 HIS 92 2HE HIS 92 -10.630 -1.770 -7.412 692 H VAL 93 H VAL 93 -9.629 -8.051 -3.328 693 HA VAL 93 HA VAL 93 -7.252 -9.643 -3.980 694 HB VAL 93 HB VAL 93 -8.489 -9.491 -1.227 695 HG11 VAL 93 1HG1 VAL 93 -7.729 -11.578 -1.013 696 HG12 VAL 93 2HG1 VAL 93 -6.836 -11.495 -2.533 697 HG13 VAL 93 3HG1 VAL 93 -6.111 -10.878 -1.048 698 HG21 VAL 93 3HG2 VAL 93 -6.253 -8.647 -0.562 699 HG22 VAL 93 1HG2 VAL 93 -5.812 -8.574 -2.268 700 HG23 VAL 93 2HG2 VAL 93 -7.114 -7.558 -1.650 701 H GLU 94 H GLU 94 -7.896 -11.394 -5.030 702 HA GLU 94 HA GLU 94 -10.303 -12.798 -4.115 703 HB2 GLU 94 1HB GLU 94 -9.685 -12.062 -6.980 704 HB3 GLU 94 2HB GLU 94 -10.930 -13.207 -6.501 705 HG2 GLU 94 1HG GLU 94 -12.180 -11.508 -5.400 706 HG3 GLU 94 2HG GLU 94 -10.869 -10.345 -5.588 707 H GLU 95 H GLU 95 -10.232 -15.011 -4.290 708 HA GLU 95 HA GLU 95 -7.644 -16.194 -4.473 709 HB2 GLU 95 1HB GLU 95 -9.775 -16.898 -3.090 710 HB3 GLU 95 2HB GLU 95 -10.143 -17.834 -4.532 711 HG2 GLU 95 1HG GLU 95 -7.534 -18.029 -3.054 712 HG3 GLU 95 2HG GLU 95 -8.923 -19.062 -2.724 713 H LYS 96 H LYS 96 -6.734 -17.396 -6.068 714 HA LYS 96 HA LYS 96 -7.123 -16.943 -8.692 715 HB2 LYS 96 1HB LYS 96 -6.318 -19.595 -7.482 716 HB3 LYS 96 2HB LYS 96 -6.062 -19.135 -9.160 717 HG2 LYS 96 1HG LYS 96 -4.689 -17.211 -8.323 718 HG3 LYS 96 2HG LYS 96 -4.806 -17.923 -6.712 719 HD2 LYS 96 1HD LYS 96 -3.715 -19.940 -7.485 720 HD3 LYS 96 2HD LYS 96 -3.690 -19.326 -9.140 721 HE2 LYS 96 1HE LYS 96 -2.196 -17.542 -8.498 722 HE3 LYS 96 2HE LYS 96 -2.301 -18.019 -6.804 723 HZ1 LYS 96 3HZ LYS 96 -0.263 -18.807 -7.886 724 HZ2 LYS 96 1HZ LYS 96 -1.188 -19.713 -8.975 725 HZ3 LYS 96 2HZ LYS 96 -1.216 -20.088 -7.326 726 H ALA 97 H ALA 97 -8.494 -17.497 -10.287 727 HA ALA 97 HA ALA 97 -10.959 -18.797 -9.588 728 HB1 ALA 97 3HB ALA 97 -11.293 -18.463 -12.176 729 HB2 ALA 97 1HB ALA 97 -11.372 -17.097 -11.063 730 HB3 ALA 97 2HB ALA 97 -9.902 -17.396 -11.991 731 H SER 98 H SER 98 -8.403 -19.474 -11.983 732 HA SER 98 HA SER 98 -9.345 -21.872 -12.960 733 HB2 SER 98 1HB SER 98 -7.050 -22.374 -13.606 734 HB3 SER 98 2HB SER 98 -7.370 -20.657 -13.849 735 HG SER 98 HG SER 98 -6.162 -20.173 -12.088 736 H GLY 99 H GLY 99 -8.450 -24.083 -12.565 737 HA2 GLY 99 1HA GLY 99 -7.255 -25.452 -10.836 738 HA3 GLY 99 2HA GLY 99 -8.192 -24.544 -9.658 739 HA PRO 100 HA PRO 100 -10.449 -28.402 -11.448 740 HB2 PRO 100 1HB PRO 100 -9.629 -30.332 -9.723 741 HB3 PRO 100 2HB PRO 100 -8.813 -30.003 -11.256 742 HG2 PRO 100 1HG PRO 100 -8.083 -29.114 -8.493 743 HG3 PRO 100 2HG PRO 100 -7.034 -29.731 -9.783 744 HD2 PRO 100 1HD PRO 100 -7.263 -27.090 -9.229 745 HD3 PRO 100 2HD PRO 100 -6.965 -27.699 -10.870 746 H SER 101 H SER 101 -10.099 -26.625 -8.640 747 HA SER 101 HA SER 101 -11.562 -27.778 -6.664 748 HB2 SER 101 1HB SER 101 -10.547 -25.471 -6.636 749 HB3 SER 101 2HB SER 101 -11.962 -24.905 -7.522 750 HG SER 101 HG SER 101 -13.082 -26.077 -5.624 751 H SER 102 H SER 102 -13.640 -28.296 -6.251 752 HA SER 102 HA SER 102 -15.794 -27.304 -7.909 753 HB2 SER 102 1HB SER 102 -16.555 -29.494 -8.658 754 HB3 SER 102 2HB SER 102 -14.905 -29.220 -9.216 755 HG SER 102 HG SER 102 -14.690 -30.358 -6.870 756 H GLY 103 H GLY 103 -17.916 -28.503 -7.217 757 HA2 GLY 103 1HA GLY 103 -17.928 -29.487 -4.503 758 HA3 GLY 103 2HA GLY 103 -18.578 -27.863 -4.667 Start of MODEL 17 1 H1 GLY 1 H GLY 1 21.628 33.892 -5.051 2 HA2 GLY 1 1HA GLY 1 20.939 31.577 -4.488 3 HA3 GLY 1 2HA GLY 1 19.571 32.532 -5.039 4 H SER 2 H SER 2 21.083 29.642 -5.387 5 HA SER 2 HA SER 2 20.620 29.309 -8.232 6 HB2 SER 2 1HB SER 2 22.575 28.243 -7.155 7 HB3 SER 2 2HB SER 2 21.485 27.280 -6.157 8 HG SER 2 HG SER 2 21.367 25.940 -7.756 9 H SER 3 H SER 3 19.330 28.012 -5.189 10 HA SER 3 HA SER 3 16.682 27.867 -6.137 11 HB2 SER 3 1HB SER 3 17.950 25.912 -7.350 12 HB3 SER 3 2HB SER 3 17.788 25.102 -5.791 13 HG SER 3 HG SER 3 15.503 26.315 -6.793 14 H GLY 4 H GLY 4 15.226 27.382 -4.504 15 HA2 GLY 4 1HA GLY 4 16.415 26.662 -1.897 16 HA3 GLY 4 2HA GLY 4 15.270 27.986 -2.050 17 H SER 5 H SER 5 13.077 27.498 -2.620 18 HA SER 5 HA SER 5 12.302 24.794 -1.761 19 HB2 SER 5 1HB SER 5 10.106 25.804 -1.210 20 HB3 SER 5 2HB SER 5 11.431 26.572 -0.335 21 HG SER 5 HG SER 5 9.664 27.809 -1.709 22 H SER 6 H SER 6 11.587 23.451 -3.264 23 HA SER 6 HA SER 6 11.119 24.264 -5.945 24 HB2 SER 6 1HB SER 6 10.475 21.905 -6.315 25 HB3 SER 6 2HB SER 6 11.991 22.038 -5.425 26 HG SER 6 HG SER 6 9.642 21.890 -3.936 27 H GLY 7 H GLY 7 9.192 24.435 -3.218 28 HA2 GLY 7 1HA GLY 7 7.067 25.634 -3.547 29 HA3 GLY 7 2HA GLY 7 6.756 24.542 -4.889 30 HA PRO 8 HA PRO 8 4.386 22.783 -1.409 31 HB2 PRO 8 1HB PRO 8 2.454 21.722 -2.994 32 HB3 PRO 8 2HB PRO 8 2.443 23.408 -2.464 33 HG2 PRO 8 1HG PRO 8 3.334 22.249 -5.077 34 HG3 PRO 8 2HG PRO 8 2.372 23.707 -4.769 35 HD2 PRO 8 1HD PRO 8 5.020 23.799 -5.329 36 HD3 PRO 8 2HD PRO 8 4.228 24.976 -4.262 37 H ALA 9 H ALA 9 3.677 20.524 -1.016 38 HA ALA 9 HA ALA 9 5.369 18.606 -2.483 39 HB1 ALA 9 3HB ALA 9 5.973 17.547 -0.535 40 HB2 ALA 9 1HB ALA 9 5.875 19.222 0.008 41 HB3 ALA 9 2HB ALA 9 4.549 18.108 0.341 42 H ALA 10 H ALA 10 2.625 19.335 -3.097 43 HA ALA 10 HA ALA 10 0.802 17.411 -2.121 44 HB1 ALA 10 3HB ALA 10 -0.320 19.152 -3.069 45 HB2 ALA 10 1HB ALA 10 0.846 19.337 -4.379 46 HB3 ALA 10 2HB ALA 10 -0.338 18.031 -4.430 47 H ILE 11 H ILE 11 -0.292 15.789 -3.586 48 HA ILE 11 HA ILE 11 1.776 14.118 -4.792 49 HB ILE 11 HB ILE 11 -1.103 13.471 -4.145 50 HG12 ILE 11 1HG1 ILE 11 1.330 12.399 -2.738 51 HG13 ILE 11 2HG1 ILE 11 0.597 13.921 -2.244 52 HG21 ILE 11 1HG2 ILE 11 0.837 12.123 -5.767 53 HG22 ILE 11 2HG2 ILE 11 0.442 11.139 -4.359 54 HG23 ILE 11 3HG2 ILE 11 -0.840 11.687 -5.439 55 HD11 ILE 11 3HD1 ILE 11 -0.061 11.624 -1.135 56 HD12 ILE 11 1HD1 ILE 11 -1.242 12.911 -1.378 57 HD13 ILE 11 2HD1 ILE 11 -1.168 11.556 -2.506 58 H ILE 12 H ILE 12 2.109 14.232 -6.903 59 HA ILE 12 HA ILE 12 0.103 15.349 -8.668 60 HB ILE 12 HB ILE 12 1.986 14.710 -10.402 61 HG12 ILE 12 1HG1 ILE 12 3.158 13.487 -8.383 62 HG13 ILE 12 2HG1 ILE 12 4.115 14.358 -9.577 63 HG21 ILE 12 1HG2 ILE 12 1.881 16.965 -8.445 64 HG22 ILE 12 2HG2 ILE 12 3.191 16.880 -9.622 65 HG23 ILE 12 3HG2 ILE 12 1.517 16.959 -10.171 66 HD11 ILE 12 3HD1 ILE 12 3.210 15.898 -7.229 67 HD12 ILE 12 1HD1 ILE 12 4.432 14.657 -6.951 68 HD13 ILE 12 2HD1 ILE 12 4.738 15.952 -8.109 69 H LYS 13 H LYS 13 1.598 12.234 -8.024 70 HA LYS 13 HA LYS 13 -0.133 11.004 -10.061 71 HB2 LYS 13 1HB LYS 13 2.433 10.071 -8.779 72 HB3 LYS 13 2HB LYS 13 1.408 9.005 -9.731 73 HG2 LYS 13 1HG LYS 13 1.636 10.855 -11.547 74 HG3 LYS 13 2HG LYS 13 3.054 11.332 -10.609 75 HD2 LYS 13 1HD LYS 13 4.043 9.843 -12.022 76 HD3 LYS 13 2HD LYS 13 3.547 8.726 -10.748 77 HE2 LYS 13 1HE LYS 13 1.745 7.923 -11.987 78 HE3 LYS 13 2HE LYS 13 1.731 9.327 -13.054 79 HZ1 LYS 13 3HZ LYS 13 3.769 8.569 -14.061 80 HZ2 LYS 13 1HZ LYS 13 2.615 7.334 -14.136 81 HZ3 LYS 13 2HZ LYS 13 3.861 7.258 -12.995 82 HA PRO 14 HA PRO 14 -2.398 9.767 -6.345 83 HB2 PRO 14 1HB PRO 14 -4.655 9.087 -7.692 84 HB3 PRO 14 2HB PRO 14 -4.258 10.756 -7.264 85 HG2 PRO 14 1HG PRO 14 -3.888 9.329 -9.870 86 HG3 PRO 14 2HG PRO 14 -4.485 10.971 -9.569 87 HD2 PRO 14 1HD PRO 14 -1.945 10.467 -10.358 88 HD3 PRO 14 2HD PRO 14 -2.363 11.828 -9.298 89 H LEU 15 H LEU 15 -3.167 7.752 -5.572 90 HA LEU 15 HA LEU 15 -1.770 5.496 -6.552 91 HB2 LEU 15 1HB LEU 15 -4.089 5.591 -4.629 92 HB3 LEU 15 2HB LEU 15 -2.979 4.240 -4.852 93 HG LEU 15 HG LEU 15 -2.118 6.952 -3.859 94 HD11 LEU 15 1HD1 LEU 15 -2.359 6.260 -1.664 95 HD12 LEU 15 2HD1 LEU 15 -2.470 4.556 -2.104 96 HD13 LEU 15 3HD1 LEU 15 -3.825 5.638 -2.424 97 HD21 LEU 15 3HD2 LEU 15 -0.506 4.776 -2.993 98 HD22 LEU 15 1HD2 LEU 15 -0.065 6.135 -4.027 99 HD23 LEU 15 2HD2 LEU 15 -0.713 4.657 -4.741 100 H GLU 16 H GLU 16 -3.283 3.338 -6.610 101 HA GLU 16 HA GLU 16 -5.591 3.758 -8.329 102 HB2 GLU 16 1HB GLU 16 -3.029 2.486 -9.233 103 HB3 GLU 16 2HB GLU 16 -4.563 1.965 -9.916 104 HG2 GLU 16 1HG GLU 16 -3.790 4.855 -9.876 105 HG3 GLU 16 2HG GLU 16 -3.220 3.770 -11.143 106 H ASP 17 H ASP 17 -6.397 1.437 -9.049 107 HA ASP 17 HA ASP 17 -6.738 -0.038 -6.573 108 HB2 ASP 17 1HB ASP 17 -8.347 -1.393 -8.071 109 HB3 ASP 17 2HB ASP 17 -8.778 0.270 -7.685 110 H GLN 18 H GLN 18 -5.692 -1.845 -6.068 111 HA GLN 18 HA GLN 18 -4.042 -3.121 -8.128 112 HB2 GLN 18 1HB GLN 18 -3.851 -2.845 -5.173 113 HB3 GLN 18 2HB GLN 18 -3.190 -4.307 -5.892 114 HG2 GLN 18 1HG GLN 18 -1.463 -2.645 -5.641 115 HG3 GLN 18 2HG GLN 18 -1.775 -2.943 -7.350 116 HE21 GLN 18 1HE2 GLN 18 -0.892 -0.954 -7.926 117 HE22 GLN 18 2HE2 GLN 18 -1.729 0.533 -7.653 118 H TRP 19 H TRP 19 -4.276 -5.223 -8.702 119 HA TRP 19 HA TRP 19 -6.454 -6.724 -7.398 120 HB2 TRP 19 1HB TRP 19 -5.780 -6.342 -10.286 121 HB3 TRP 19 2HB TRP 19 -6.499 -7.868 -9.780 122 HD1 TRP 19 HD TRP 19 -8.985 -7.680 -8.597 123 HE1 TRP 19 1HE TRP 19 -10.885 -6.002 -9.044 124 HE3 TRP 19 3HE TRP 19 -6.297 -4.014 -10.936 125 HZ2 TRP 19 2HZ TRP 19 -11.203 -3.462 -10.232 126 HZ3 TRP 19 3HZ TRP 19 -7.475 -1.992 -11.698 127 HH2 TRP 19 HH TRP 19 -9.877 -1.724 -11.353 128 H VAL 20 H VAL 20 -5.280 -8.009 -6.049 129 HA VAL 20 HA VAL 20 -3.377 -9.853 -7.339 130 HB VAL 20 HB VAL 20 -1.989 -9.881 -5.386 131 HG11 VAL 20 1HG1 VAL 20 -2.359 -6.959 -5.556 132 HG12 VAL 20 2HG1 VAL 20 -0.912 -7.938 -5.802 133 HG13 VAL 20 3HG1 VAL 20 -2.114 -7.800 -7.086 134 HG21 VAL 20 3HG2 VAL 20 -3.619 -9.700 -3.642 135 HG22 VAL 20 1HG2 VAL 20 -2.473 -8.372 -3.457 136 HG23 VAL 20 2HG2 VAL 20 -4.064 -8.073 -4.155 137 H ALA 21 H ALA 21 -2.914 -11.658 -5.456 138 HA ALA 21 HA ALA 21 -5.578 -12.770 -4.891 139 HB1 ALA 21 3HB ALA 21 -3.675 -14.793 -4.575 140 HB2 ALA 21 1HB ALA 21 -4.800 -14.579 -5.916 141 HB3 ALA 21 2HB ALA 21 -3.177 -13.893 -6.008 142 HA PRO 22 HA PRO 22 -4.967 -12.791 -0.546 143 HB2 PRO 22 1HB PRO 22 -5.907 -15.227 0.195 144 HB3 PRO 22 2HB PRO 22 -6.960 -13.917 -0.352 145 HG2 PRO 22 1HG PRO 22 -5.925 -16.278 -1.875 146 HG3 PRO 22 2HG PRO 22 -7.553 -15.576 -1.870 147 HD2 PRO 22 1HD PRO 22 -5.763 -15.091 -3.843 148 HD3 PRO 22 2HD PRO 22 -6.968 -13.892 -3.331 149 H GLY 23 H GLY 23 -2.652 -12.741 -0.542 150 HA2 GLY 23 1HA GLY 23 -1.237 -14.261 1.063 151 HA3 GLY 23 2HA GLY 23 -1.284 -15.323 -0.337 152 H GLU 24 H GLU 24 -1.313 -12.610 -1.905 153 HA GLU 24 HA GLU 24 1.577 -12.546 -2.215 154 HB2 GLU 24 1HB GLU 24 -0.643 -11.218 -3.777 155 HB3 GLU 24 2HB GLU 24 1.065 -11.072 -4.166 156 HG2 GLU 24 1HG GLU 24 -0.130 -13.786 -3.935 157 HG3 GLU 24 2HG GLU 24 -0.452 -12.825 -5.376 158 H ASP 25 H ASP 25 2.590 -10.345 -2.591 159 HA ASP 25 HA ASP 25 1.788 -8.590 -0.383 160 HB2 ASP 25 1HB ASP 25 4.106 -7.597 -0.766 161 HB3 ASP 25 2HB ASP 25 4.051 -9.247 -0.152 162 H VAL 26 H VAL 26 1.012 -6.604 -0.720 163 HA VAL 26 HA VAL 26 0.839 -5.652 -3.488 164 HB VAL 26 HB VAL 26 -0.729 -4.935 -1.015 165 HG11 VAL 26 1HG1 VAL 26 -0.743 -3.624 -3.726 166 HG12 VAL 26 2HG1 VAL 26 -2.041 -3.442 -2.545 167 HG13 VAL 26 3HG1 VAL 26 -0.415 -2.873 -2.165 168 HG21 VAL 26 3HG2 VAL 26 -1.190 -7.038 -2.434 169 HG22 VAL 26 1HG2 VAL 26 -2.544 -5.980 -2.033 170 HG23 VAL 26 2HG2 VAL 26 -1.811 -5.907 -3.636 171 H GLU 27 H GLU 27 1.470 -3.587 -4.089 172 HA GLU 27 HA GLU 27 2.921 -2.000 -2.089 173 HB2 GLU 27 1HB GLU 27 3.943 -2.675 -4.854 174 HB3 GLU 27 2HB GLU 27 4.716 -1.573 -3.722 175 HG2 GLU 27 1HG GLU 27 5.221 -3.337 -2.217 176 HG3 GLU 27 2HG GLU 27 4.216 -4.473 -3.116 177 H LEU 28 H LEU 28 1.978 -0.080 -1.999 178 HA LEU 28 HA LEU 28 0.801 1.040 -4.451 179 HB2 LEU 28 1HB LEU 28 0.250 1.773 -1.580 180 HB3 LEU 28 2HB LEU 28 -0.576 2.417 -2.997 181 HG LEU 28 HG LEU 28 -0.659 -0.519 -2.444 182 HD11 LEU 28 1HD1 LEU 28 -2.991 0.660 -1.389 183 HD12 LEU 28 2HD1 LEU 28 -1.617 1.480 -0.648 184 HD13 LEU 28 3HD1 LEU 28 -1.760 -0.274 -0.538 185 HD21 LEU 28 3HD2 LEU 28 -3.016 0.950 -3.380 186 HD22 LEU 28 1HD2 LEU 28 -2.287 -0.538 -3.985 187 HD23 LEU 28 2HD2 LEU 28 -1.626 1.025 -4.463 188 H ARG 29 H ARG 29 2.424 2.175 -5.387 189 HA ARG 29 HA ARG 29 4.067 3.952 -3.758 190 HB2 ARG 29 1HB ARG 29 4.202 3.020 -6.614 191 HB3 ARG 29 2HB ARG 29 5.168 4.378 -6.052 192 HG2 ARG 29 1HG ARG 29 6.183 2.918 -4.348 193 HG3 ARG 29 2HG ARG 29 5.258 1.561 -4.993 194 HD2 ARG 29 1HD ARG 29 6.521 1.425 -6.894 195 HD3 ARG 29 2HD ARG 29 6.918 3.143 -6.882 196 HE ARG 29 HE ARG 29 8.171 2.034 -4.681 197 HH11 ARG 29 2HH1 ARG 29 8.263 1.658 -8.141 198 HH12 ARG 29 1HH1 ARG 29 9.928 1.182 -8.175 199 HH21 ARG 29 2HH2 ARG 29 10.364 1.408 -4.714 200 HH22 ARG 29 1HH2 ARG 29 11.122 1.039 -6.225 201 H CYS 30 H CYS 30 4.467 6.180 -4.573 202 HA CYS 30 HA CYS 30 2.347 7.381 -6.141 203 HB2 CYS 30 1HB CYS 30 1.400 8.723 -4.504 204 HB3 CYS 30 2HB CYS 30 1.672 7.225 -3.621 205 HG CYS 30 HG CYS 30 2.300 9.819 -2.286 206 H GLU 31 H GLU 31 2.731 9.977 -5.832 207 HA GLU 31 HA GLU 31 5.619 10.476 -5.960 208 HB2 GLU 31 1HB GLU 31 4.626 10.101 -8.265 209 HB3 GLU 31 2HB GLU 31 3.698 11.573 -8.012 210 HG2 GLU 31 1HG GLU 31 5.533 12.928 -8.171 211 HG3 GLU 31 2HG GLU 31 6.646 11.668 -7.641 212 H LEU 32 H LEU 32 6.246 12.625 -5.529 213 HA LEU 32 HA LEU 32 4.129 14.402 -4.531 214 HB2 LEU 32 1HB LEU 32 6.749 14.163 -3.104 215 HB3 LEU 32 2HB LEU 32 5.227 14.836 -2.524 216 HG LEU 32 HG LEU 32 5.417 11.912 -3.112 217 HD11 LEU 32 1HD1 LEU 32 5.917 12.561 -0.334 218 HD12 LEU 32 2HD1 LEU 32 7.206 13.134 -1.391 219 HD13 LEU 32 3HD1 LEU 32 6.752 11.430 -1.400 220 HD21 LEU 32 3HD2 LEU 32 3.964 12.316 -0.826 221 HD22 LEU 32 1HD2 LEU 32 3.297 12.166 -2.452 222 HD23 LEU 32 2HD2 LEU 32 3.604 13.763 -1.768 223 H SER 33 H SER 33 4.324 16.468 -5.150 224 HA SER 33 HA SER 33 6.110 17.255 -7.132 225 HB2 SER 33 1HB SER 33 4.049 18.456 -6.847 226 HB3 SER 33 2HB SER 33 4.476 18.910 -5.198 227 HG SER 33 HG SER 33 5.260 20.016 -7.600 228 H ARG 34 H ARG 34 6.587 16.990 -3.768 229 HA ARG 34 HA ARG 34 9.300 17.959 -4.030 230 HB2 ARG 34 1HB ARG 34 8.214 20.034 -3.481 231 HB3 ARG 34 2HB ARG 34 7.318 19.276 -2.171 232 HG2 ARG 34 1HG ARG 34 9.547 18.815 -1.080 233 HG3 ARG 34 2HG ARG 34 10.257 19.878 -2.296 234 HD2 ARG 34 1HD ARG 34 8.624 21.640 -1.553 235 HD3 ARG 34 2HD ARG 34 8.196 20.576 -0.215 236 HE ARG 34 HE ARG 34 10.973 20.909 -0.225 237 HH11 ARG 34 2HH1 ARG 34 8.080 22.764 0.332 238 HH12 ARG 34 1HH1 ARG 34 8.838 23.856 1.444 239 HH21 ARG 34 2HH2 ARG 34 11.982 22.340 1.237 240 HH22 ARG 34 1HH2 ARG 34 11.057 23.614 1.957 241 H ALA 35 H ALA 35 10.689 17.029 -2.578 242 HA ALA 35 HA ALA 35 9.652 14.780 -1.087 243 HB1 ALA 35 3HB ALA 35 12.284 14.767 -0.514 244 HB2 ALA 35 1HB ALA 35 11.595 14.064 -1.978 245 HB3 ALA 35 2HB ALA 35 12.297 15.682 -2.022 246 H GLY 36 H GLY 36 10.809 14.398 1.136 247 HA2 GLY 36 1HA GLY 36 11.219 15.086 3.305 248 HA3 GLY 36 2HA GLY 36 11.283 16.744 2.725 249 H THR 37 H THR 37 8.576 14.562 2.226 250 HA THR 37 HA THR 37 7.023 16.026 4.242 251 HB THR 37 HB THR 37 5.995 15.473 1.453 252 HG1 THR 37 1HG THR 37 6.465 18.058 2.471 253 HG21 THR 37 3HG2 THR 37 3.976 16.113 2.178 254 HG22 THR 37 1HG2 THR 37 4.641 17.481 3.070 255 HG23 THR 37 2HG2 THR 37 4.606 15.879 3.808 256 HA PRO 38 HA PRO 38 6.056 11.758 5.170 257 HB2 PRO 38 1HB PRO 38 4.615 12.306 7.404 258 HB3 PRO 38 2HB PRO 38 6.382 12.315 7.375 259 HG2 PRO 38 1HG PRO 38 4.473 14.616 7.212 260 HG3 PRO 38 2HG PRO 38 5.978 14.474 8.139 261 HD2 PRO 38 1HD PRO 38 5.837 15.804 5.785 262 HD3 PRO 38 2HD PRO 38 7.298 14.942 6.308 263 H VAL 39 H VAL 39 4.322 10.462 4.769 264 HA VAL 39 HA VAL 39 1.886 11.789 3.818 265 HB VAL 39 HB VAL 39 3.229 10.082 2.408 266 HG11 VAL 39 1HG1 VAL 39 2.705 7.767 2.739 267 HG12 VAL 39 2HG1 VAL 39 3.355 8.408 4.250 268 HG13 VAL 39 3HG1 VAL 39 1.619 8.154 4.073 269 HG21 VAL 39 3HG2 VAL 39 0.858 11.023 2.059 270 HG22 VAL 39 1HG2 VAL 39 1.311 9.555 1.193 271 HG23 VAL 39 2HG2 VAL 39 0.306 9.452 2.639 272 H HIS 40 H HIS 40 -0.193 10.683 4.245 273 HA HIS 40 HA HIS 40 -0.219 9.420 6.908 274 HB2 HIS 40 1HB HIS 40 -1.121 11.873 6.590 275 HB3 HIS 40 2HB HIS 40 -2.538 11.050 5.944 276 HD1 HIS 40 1HD HIS 40 -2.742 12.689 8.527 277 HD2 HIS 40 2HD HIS 40 -1.984 8.606 8.422 278 HE1 HIS 40 1HE HIS 40 -3.465 11.813 10.771 279 HE2 HIS 40 2HE HIS 40 -2.918 9.356 10.715 280 H TRP 41 H TRP 41 -0.431 7.318 6.265 281 HA TRP 41 HA TRP 41 -2.311 6.540 4.230 282 HB2 TRP 41 1HB TRP 41 -0.649 4.906 6.158 283 HB3 TRP 41 2HB TRP 41 -1.647 4.221 4.879 284 HD1 TRP 41 HD TRP 41 1.662 5.990 5.471 285 HE1 TRP 41 1HE TRP 41 3.035 5.953 3.294 286 HE3 TRP 41 3HE TRP 41 -1.916 4.202 2.286 287 HZ2 TRP 41 2HZ TRP 41 2.651 5.259 0.585 288 HZ3 TRP 41 3HZ TRP 41 -1.332 3.881 -0.082 289 HH2 TRP 41 HH TRP 41 0.904 4.399 -0.914 290 H LEU 42 H LEU 42 -4.421 6.403 4.570 291 HA LEU 42 HA LEU 42 -5.368 5.634 7.252 292 HB2 LEU 42 1HB LEU 42 -6.787 7.332 5.206 293 HB3 LEU 42 2HB LEU 42 -7.387 6.916 6.810 294 HG LEU 42 HG LEU 42 -4.802 8.381 6.603 295 HD11 LEU 42 1HD1 LEU 42 -5.955 10.519 6.498 296 HD12 LEU 42 2HD1 LEU 42 -7.500 9.693 6.299 297 HD13 LEU 42 3HD1 LEU 42 -6.266 9.569 5.045 298 HD21 LEU 42 3HD2 LEU 42 -5.118 8.499 8.794 299 HD22 LEU 42 1HD2 LEU 42 -6.636 7.617 8.627 300 HD23 LEU 42 2HD2 LEU 42 -6.625 9.379 8.539 301 H LYS 43 H LYS 43 -6.295 3.709 7.344 302 HA LYS 43 HA LYS 43 -7.338 2.514 4.874 303 HB2 LYS 43 1HB LYS 43 -5.630 1.199 5.995 304 HB3 LYS 43 2HB LYS 43 -6.536 1.251 7.501 305 HG2 LYS 43 1HG LYS 43 -8.193 -0.191 6.685 306 HG3 LYS 43 2HG LYS 43 -7.677 0.029 5.011 307 HD2 LYS 43 1HD LYS 43 -5.415 -0.966 5.955 308 HD3 LYS 43 2HD LYS 43 -6.501 -1.657 7.163 309 HE2 LYS 43 1HE LYS 43 -6.232 -3.239 5.379 310 HE3 LYS 43 2HE LYS 43 -7.870 -2.592 5.314 311 HZ1 LYS 43 3HZ LYS 43 -6.466 -2.778 3.160 312 HZ2 LYS 43 1HZ LYS 43 -5.760 -1.338 3.698 313 HZ3 LYS 43 2HZ LYS 43 -7.426 -1.409 3.416 314 H ASP 44 H ASP 44 -9.381 3.415 4.785 315 HA ASP 44 HA ASP 44 -11.636 3.419 5.132 316 HB2 ASP 44 1HB ASP 44 -11.019 0.973 5.940 317 HB3 ASP 44 2HB ASP 44 -11.430 1.636 7.520 318 H ARG 45 H ARG 45 -10.270 5.511 6.105 319 HA ARG 45 HA ARG 45 -10.424 7.281 7.524 320 HB2 ARG 45 1HB ARG 45 -12.915 5.821 8.416 321 HB3 ARG 45 2HB ARG 45 -12.484 7.447 8.929 322 HG2 ARG 45 1HG ARG 45 -12.359 7.822 6.302 323 HG3 ARG 45 2HG ARG 45 -13.510 6.485 6.327 324 HD2 ARG 45 1HD ARG 45 -13.946 8.728 8.223 325 HD3 ARG 45 2HD ARG 45 -14.278 9.019 6.516 326 HE ARG 45 HE ARG 45 -15.499 6.612 7.349 327 HH11 ARG 45 2HH1 ARG 45 -15.798 10.068 7.641 328 HH12 ARG 45 1HH1 ARG 45 -17.513 10.030 7.884 329 HH21 ARG 45 2HH2 ARG 45 -17.756 6.549 7.669 330 HH22 ARG 45 1HH2 ARG 45 -18.626 8.028 7.901 331 H LYS 46 H LYS 46 -8.760 5.133 8.267 332 HA LYS 46 HA LYS 46 -8.678 5.569 11.152 333 HB2 LYS 46 1HB LYS 46 -8.575 2.829 9.878 334 HB3 LYS 46 2HB LYS 46 -8.218 3.166 11.567 335 HG2 LYS 46 1HG LYS 46 -10.462 3.789 12.008 336 HG3 LYS 46 2HG LYS 46 -10.863 3.806 10.289 337 HD2 LYS 46 1HD LYS 46 -11.747 1.783 11.056 338 HD3 LYS 46 2HD LYS 46 -10.212 1.322 10.317 339 HE2 LYS 46 1HE LYS 46 -10.477 1.906 13.254 340 HE3 LYS 46 2HE LYS 46 -10.763 0.301 12.585 341 HZ1 LYS 46 3HZ LYS 46 -8.281 1.673 13.053 342 HZ2 LYS 46 1HZ LYS 46 -8.383 0.998 11.504 343 HZ3 LYS 46 2HZ LYS 46 -8.584 0.019 12.868 344 H ALA 47 H ALA 47 -6.720 6.287 11.638 345 HA ALA 47 HA ALA 47 -4.569 6.439 9.901 346 HB1 ALA 47 3HB ALA 47 -4.485 6.405 12.916 347 HB2 ALA 47 1HB ALA 47 -3.212 7.004 11.851 348 HB3 ALA 47 2HB ALA 47 -4.776 7.819 11.903 349 H ILE 48 H ILE 48 -3.116 5.027 9.185 350 HA ILE 48 HA ILE 48 -3.107 2.329 10.256 351 HB ILE 48 HB ILE 48 -1.541 3.457 7.933 352 HG12 ILE 48 1HG1 ILE 48 -4.144 1.913 7.953 353 HG13 ILE 48 2HG1 ILE 48 -3.980 3.630 7.601 354 HG21 ILE 48 1HG2 ILE 48 -1.007 1.253 7.342 355 HG22 ILE 48 2HG2 ILE 48 -0.742 1.325 9.083 356 HG23 ILE 48 3HG2 ILE 48 -2.205 0.575 8.444 357 HD11 ILE 48 3HD1 ILE 48 -3.879 3.008 5.472 358 HD12 ILE 48 1HD1 ILE 48 -2.234 2.482 5.830 359 HD13 ILE 48 2HD1 ILE 48 -3.563 1.323 5.888 360 H ARG 49 H ARG 49 -1.355 1.290 11.163 361 HA ARG 49 HA ARG 49 0.832 3.053 12.044 362 HB2 ARG 49 1HB ARG 49 0.999 1.807 14.036 363 HB3 ARG 49 2HB ARG 49 -0.728 2.012 13.775 364 HG2 ARG 49 1HG ARG 49 -0.557 -0.300 12.602 365 HG3 ARG 49 2HG ARG 49 0.946 -0.442 13.517 366 HD2 ARG 49 1HD ARG 49 -1.498 0.434 14.962 367 HD3 ARG 49 2HD ARG 49 -1.375 -1.262 14.495 368 HE ARG 49 HE ARG 49 0.316 -1.545 16.038 369 HH11 ARG 49 2HH1 ARG 49 -0.441 1.836 15.695 370 HH12 ARG 49 1HH1 ARG 49 0.484 2.318 17.078 371 HH21 ARG 49 2HH2 ARG 49 1.539 -0.923 17.861 372 HH22 ARG 49 1HH2 ARG 49 1.611 0.748 18.309 373 H LYS 50 H LYS 50 2.888 2.547 11.563 374 HA LYS 50 HA LYS 50 3.491 0.690 9.557 375 HB2 LYS 50 1HB LYS 50 4.847 2.710 10.152 376 HB3 LYS 50 2HB LYS 50 5.420 1.849 11.575 377 HG2 LYS 50 1HG LYS 50 6.237 0.058 9.955 378 HG3 LYS 50 2HG LYS 50 5.967 1.257 8.687 379 HD2 LYS 50 1HD LYS 50 7.570 1.979 11.107 380 HD3 LYS 50 2HD LYS 50 8.314 1.050 9.804 381 HE2 LYS 50 1HE LYS 50 8.045 2.774 8.259 382 HE3 LYS 50 2HE LYS 50 6.806 3.573 9.225 383 HZ1 LYS 50 3HZ LYS 50 8.951 3.607 10.863 384 HZ2 LYS 50 1HZ LYS 50 8.467 4.891 9.873 385 HZ3 LYS 50 2HZ LYS 50 9.670 3.824 9.347 386 H SER 51 H SER 51 4.195 -1.382 9.560 387 HA SER 51 HA SER 51 5.278 -2.718 11.804 388 HB2 SER 51 1HB SER 51 2.696 -2.444 12.275 389 HB3 SER 51 2HB SER 51 2.565 -3.809 11.167 390 HG SER 51 HG SER 51 3.981 -4.961 12.536 391 H GLN 52 H GLN 52 5.603 -5.043 11.391 392 HA GLN 52 HA GLN 52 6.791 -5.652 9.062 393 HB2 GLN 52 1HB GLN 52 6.473 -7.086 11.202 394 HB3 GLN 52 2HB GLN 52 5.086 -7.758 10.355 395 HG2 GLN 52 1HG GLN 52 6.577 -8.409 8.501 396 HG3 GLN 52 2HG GLN 52 7.950 -7.816 9.435 397 HE21 GLN 52 1HE2 GLN 52 5.753 -10.381 8.926 398 HE22 GLN 52 2HE2 GLN 52 6.370 -11.455 10.130 399 H LYS 53 H LYS 53 3.343 -5.633 9.632 400 HA LYS 53 HA LYS 53 2.669 -6.899 7.143 401 HB2 LYS 53 1HB LYS 53 1.045 -7.198 8.798 402 HB3 LYS 53 2HB LYS 53 1.114 -5.516 9.306 403 HG2 LYS 53 1HG LYS 53 -0.947 -5.809 8.192 404 HG3 LYS 53 2HG LYS 53 0.099 -4.912 7.088 405 HD2 LYS 53 1HD LYS 53 -0.738 -6.480 5.648 406 HD3 LYS 53 2HD LYS 53 0.690 -7.339 6.231 407 HE2 LYS 53 1HE LYS 53 -1.022 -8.918 6.383 408 HE3 LYS 53 2HE LYS 53 -0.862 -8.304 8.028 409 HZ1 LYS 53 3HZ LYS 53 -3.079 -8.089 7.838 410 HZ2 LYS 53 1HZ LYS 53 -3.056 -8.017 6.147 411 HZ3 LYS 53 2HZ LYS 53 -2.691 -6.639 7.057 412 H TYR 54 H TYR 54 2.337 -3.574 8.390 413 HA TYR 54 HA TYR 54 2.102 -2.634 5.615 414 HB2 TYR 54 1HB TYR 54 1.370 -1.263 8.211 415 HB3 TYR 54 2HB TYR 54 1.199 -0.549 6.611 416 HD1 TYR 54 2HD TYR 54 0.077 -2.704 5.020 417 HD2 TYR 54 1HD TYR 54 -0.764 -1.604 9.043 418 HE1 TYR 54 2HE TYR 54 -2.165 -3.694 4.816 419 HE2 TYR 54 1HE TYR 54 -3.008 -2.592 8.850 420 HH TYR 54 HH TYR 54 -4.617 -3.187 7.142 421 H ASP 55 H ASP 55 4.346 -2.730 5.181 422 HA ASP 55 HA ASP 55 6.224 -1.271 6.788 423 HB2 ASP 55 1HB ASP 55 6.568 -2.348 3.982 424 HB3 ASP 55 2HB ASP 55 7.853 -1.862 5.085 425 H VAL 56 H VAL 56 6.323 0.868 6.820 426 HA VAL 56 HA VAL 56 5.346 2.417 4.554 427 HB VAL 56 HB VAL 56 6.324 3.365 7.251 428 HG11 VAL 56 1HG1 VAL 56 5.337 5.490 6.683 429 HG12 VAL 56 2HG1 VAL 56 6.495 5.036 5.431 430 HG13 VAL 56 3HG1 VAL 56 4.765 4.852 5.142 431 HG21 VAL 56 3HG2 VAL 56 3.560 2.789 6.205 432 HG22 VAL 56 1HG2 VAL 56 4.364 2.070 7.601 433 HG23 VAL 56 2HG2 VAL 56 3.867 3.762 7.643 434 H VAL 57 H VAL 57 6.733 2.843 2.971 435 HA VAL 57 HA VAL 57 9.475 3.643 3.692 436 HB VAL 57 HB VAL 57 10.018 1.660 2.708 437 HG11 VAL 57 1HG1 VAL 57 7.995 0.636 2.282 438 HG12 VAL 57 2HG1 VAL 57 7.427 1.949 1.248 439 HG13 VAL 57 3HG1 VAL 57 8.648 0.822 0.655 440 HG21 VAL 57 3HG2 VAL 57 10.994 3.456 1.346 441 HG22 VAL 57 1HG2 VAL 57 10.690 2.002 0.396 442 HG23 VAL 57 2HG2 VAL 57 9.602 3.384 0.265 443 H CYS 58 H CYS 58 10.510 5.089 2.180 444 HA CYS 58 HA CYS 58 9.103 6.279 0.023 445 HB2 CYS 58 1HB CYS 58 7.755 7.341 1.695 446 HB3 CYS 58 2HB CYS 58 9.172 7.777 2.643 447 HG CYS 58 HG CYS 58 8.253 9.119 -0.366 448 H GLU 59 H GLU 59 10.728 6.661 -1.318 449 HA GLU 59 HA GLU 59 13.266 7.663 -0.211 450 HB2 GLU 59 1HB GLU 59 12.636 5.902 -2.556 451 HB3 GLU 59 2HB GLU 59 14.130 6.828 -2.526 452 HG2 GLU 59 1HG GLU 59 14.370 5.736 -0.146 453 HG3 GLU 59 2HG GLU 59 13.285 4.533 -0.842 454 H GLY 60 H GLY 60 13.165 9.836 -0.351 455 HA2 GLY 60 1HA GLY 60 13.370 11.877 -1.414 456 HA3 GLY 60 2HA GLY 60 13.256 11.038 -2.955 457 H THR 61 H THR 61 11.383 11.096 -4.065 458 HA THR 61 HA THR 61 9.069 12.340 -2.726 459 HB THR 61 HB THR 61 8.441 13.333 -4.883 460 HG1 THR 61 1HG THR 61 9.727 11.642 -6.078 461 HG21 THR 61 3HG2 THR 61 9.864 14.595 -3.298 462 HG22 THR 61 1HG2 THR 61 10.147 15.050 -4.977 463 HG23 THR 61 2HG2 THR 61 11.292 13.999 -4.144 464 H MET 62 H MET 62 9.439 9.572 -2.726 465 HA MET 62 HA MET 62 7.104 8.756 -4.278 466 HB2 MET 62 1HB MET 62 9.005 8.138 -5.681 467 HB3 MET 62 2HB MET 62 9.743 7.282 -4.334 468 HG2 MET 62 1HG MET 62 7.438 5.983 -4.381 469 HG3 MET 62 2HG MET 62 7.468 6.505 -6.063 470 HE1 MET 62 3HE MET 62 10.700 4.057 -3.971 471 HE2 MET 62 1HE MET 62 9.589 5.230 -3.263 472 HE3 MET 62 2HE MET 62 9.029 3.599 -3.636 473 H ALA 63 H ALA 63 5.777 8.256 -2.640 474 HA ALA 63 HA ALA 63 6.806 6.801 -0.325 475 HB1 ALA 63 3HB ALA 63 3.983 7.760 -0.685 476 HB2 ALA 63 1HB ALA 63 4.851 7.422 0.813 477 HB3 ALA 63 2HB ALA 63 5.277 8.834 -0.154 478 H MET 64 H MET 64 6.346 4.719 0.121 479 HA MET 64 HA MET 64 4.380 3.336 -1.573 480 HB2 MET 64 1HB MET 64 6.754 2.938 -2.328 481 HB3 MET 64 2HB MET 64 7.043 2.155 -0.780 482 HG2 MET 64 1HG MET 64 5.603 0.383 -1.275 483 HG3 MET 64 2HG MET 64 4.841 1.259 -2.601 484 HE1 MET 64 3HE MET 64 9.241 0.429 -2.718 485 HE2 MET 64 1HE MET 64 8.229 0.629 -1.287 486 HE3 MET 64 2HE MET 64 8.470 -0.975 -1.978 487 H LEU 65 H LEU 65 3.368 1.520 -0.631 488 HA LEU 65 HA LEU 65 3.841 1.126 2.240 489 HB2 LEU 65 1HB LEU 65 1.974 2.644 2.072 490 HB3 LEU 65 2HB LEU 65 1.174 1.585 0.913 491 HG LEU 65 HG LEU 65 1.043 -0.135 2.758 492 HD11 LEU 65 1HD1 LEU 65 2.441 0.366 4.462 493 HD12 LEU 65 2HD1 LEU 65 1.032 1.248 5.048 494 HD13 LEU 65 3HD1 LEU 65 2.319 2.106 4.201 495 HD21 LEU 65 3HD2 LEU 65 -1.052 0.580 2.881 496 HD22 LEU 65 1HD2 LEU 65 -0.556 2.130 2.200 497 HD23 LEU 65 2HD2 LEU 65 -0.561 1.896 3.948 498 H VAL 66 H VAL 66 4.618 -0.904 2.206 499 HA VAL 66 HA VAL 66 3.599 -2.917 0.425 500 HB VAL 66 HB VAL 66 5.355 -3.447 2.809 501 HG11 VAL 66 1HG1 VAL 66 5.131 -4.747 0.096 502 HG12 VAL 66 2HG1 VAL 66 6.236 -5.232 1.383 503 HG13 VAL 66 3HG1 VAL 66 4.493 -5.386 1.610 504 HG21 VAL 66 3HG2 VAL 66 6.692 -1.836 1.929 505 HG22 VAL 66 1HG2 VAL 66 7.162 -3.160 0.862 506 HG23 VAL 66 2HG2 VAL 66 5.981 -1.968 0.320 507 H ILE 67 H ILE 67 2.310 -4.657 0.898 508 HA ILE 67 HA ILE 67 1.101 -4.714 3.585 509 HB ILE 67 HB ILE 67 -0.320 -5.188 0.962 510 HG12 ILE 67 1HG1 ILE 67 -1.102 -3.076 2.923 511 HG13 ILE 67 2HG1 ILE 67 0.294 -2.779 1.892 512 HG21 ILE 67 1HG2 ILE 67 -1.846 -6.317 2.108 513 HG22 ILE 67 2HG2 ILE 67 -0.895 -6.126 3.580 514 HG23 ILE 67 3HG2 ILE 67 -2.104 -4.917 3.148 515 HD11 ILE 67 3HD1 ILE 67 -2.038 -1.979 1.138 516 HD12 ILE 67 1HD1 ILE 67 -0.974 -2.756 -0.035 517 HD13 ILE 67 2HD1 ILE 67 -2.294 -3.668 0.700 518 H ARG 68 H ARG 68 2.830 -6.338 3.915 519 HA ARG 68 HA ARG 68 3.211 -8.692 2.605 520 HB2 ARG 68 1HB ARG 68 3.292 -7.972 5.506 521 HB3 ARG 68 2HB ARG 68 3.493 -9.655 5.040 522 HG2 ARG 68 1HG ARG 68 5.148 -7.534 3.744 523 HG3 ARG 68 2HG ARG 68 5.576 -8.153 5.341 524 HD2 ARG 68 1HD ARG 68 5.063 -9.976 3.009 525 HD3 ARG 68 2HD ARG 68 6.651 -9.271 3.310 526 HE ARG 68 HE ARG 68 5.351 -11.360 4.830 527 HH11 ARG 68 2HH1 ARG 68 7.868 -8.956 4.747 528 HH12 ARG 68 1HH1 ARG 68 8.827 -9.729 5.965 529 HH21 ARG 68 2HH2 ARG 68 6.605 -12.388 6.434 530 HH22 ARG 68 1HH2 ARG 68 8.108 -11.682 6.923 531 H GLY 69 H GLY 69 2.154 -10.575 2.293 532 HA2 GLY 69 1HA GLY 69 0.296 -11.927 2.076 533 HA3 GLY 69 2HA GLY 69 0.306 -11.851 3.832 534 H ALA 70 H ALA 70 -0.969 -10.335 0.916 535 HA ALA 70 HA ALA 70 -2.920 -8.823 2.453 536 HB1 ALA 70 3HB ALA 70 -3.646 -8.021 0.187 537 HB2 ALA 70 1HB ALA 70 -1.976 -7.647 0.617 538 HB3 ALA 70 2HB ALA 70 -2.326 -8.972 -0.494 539 H SER 71 H SER 71 -4.456 -10.138 3.285 540 HA SER 71 HA SER 71 -5.642 -12.219 1.625 541 HB2 SER 71 1HB SER 71 -6.267 -11.499 4.498 542 HB3 SER 71 2HB SER 71 -6.752 -12.966 3.648 543 HG SER 71 HG SER 71 -4.844 -13.785 3.994 544 H LEU 72 H LEU 72 -8.066 -12.441 1.707 545 HA LEU 72 HA LEU 72 -9.374 -10.508 0.366 546 HB2 LEU 72 1HB LEU 72 -10.710 -12.119 2.530 547 HB3 LEU 72 2HB LEU 72 -11.453 -11.458 1.075 548 HG LEU 72 HG LEU 72 -9.400 -13.670 1.137 549 HD11 LEU 72 1HD1 LEU 72 -11.455 -14.957 0.256 550 HD12 LEU 72 2HD1 LEU 72 -12.390 -13.659 0.998 551 HD13 LEU 72 3HD1 LEU 72 -11.320 -14.652 1.988 552 HD21 LEU 72 3HD2 LEU 72 -9.953 -11.939 -0.915 553 HD22 LEU 72 1HD2 LEU 72 -11.032 -13.293 -1.253 554 HD23 LEU 72 2HD2 LEU 72 -9.297 -13.567 -1.094 555 H LYS 73 H LYS 73 -8.954 -10.643 3.860 556 HA LYS 73 HA LYS 73 -10.648 -8.445 4.462 557 HB2 LYS 73 1HB LYS 73 -9.614 -10.324 5.997 558 HB3 LYS 73 2HB LYS 73 -8.317 -9.153 6.197 559 HG2 LYS 73 1HG LYS 73 -9.778 -8.804 8.000 560 HG3 LYS 73 2HG LYS 73 -10.103 -7.490 6.866 561 HD2 LYS 73 1HD LYS 73 -11.978 -8.943 5.953 562 HD3 LYS 73 2HD LYS 73 -11.742 -9.962 7.375 563 HE2 LYS 73 1HE LYS 73 -13.488 -8.454 7.909 564 HE3 LYS 73 2HE LYS 73 -12.058 -7.888 8.771 565 HZ1 LYS 73 3HZ LYS 73 -12.995 -6.796 6.174 566 HZ2 LYS 73 1HZ LYS 73 -11.721 -6.206 7.117 567 HZ3 LYS 73 2HZ LYS 73 -13.311 -6.092 7.679 568 H ASP 74 H ASP 74 -7.133 -8.747 4.050 569 HA ASP 74 HA ASP 74 -6.240 -6.268 4.685 570 HB2 ASP 74 1HB ASP 74 -5.461 -8.093 2.425 571 HB3 ASP 74 2HB ASP 74 -4.640 -6.555 2.673 572 H ALA 75 H ALA 75 -7.857 -7.175 1.669 573 HA ALA 75 HA ALA 75 -7.596 -4.915 0.164 574 HB1 ALA 75 3HB ALA 75 -9.248 -5.751 -1.124 575 HB2 ALA 75 1HB ALA 75 -9.055 -7.161 -0.081 576 HB3 ALA 75 2HB ALA 75 -10.338 -5.994 0.241 577 H GLY 76 H GLY 76 -8.213 -2.844 0.283 578 HA2 GLY 76 1HA GLY 76 -10.580 -1.937 1.540 579 HA3 GLY 76 2HA GLY 76 -9.216 -1.709 2.624 580 H GLU 77 H GLU 77 -10.028 0.578 2.296 581 HA GLU 77 HA GLU 77 -9.064 1.767 -0.199 582 HB2 GLU 77 1HB GLU 77 -11.360 2.254 1.038 583 HB3 GLU 77 2HB GLU 77 -10.364 3.387 1.941 584 HG2 GLU 77 1HG GLU 77 -9.676 4.427 -0.186 585 HG3 GLU 77 2HG GLU 77 -10.765 3.336 -1.041 586 H TYR 78 H TYR 78 -7.220 2.874 -0.313 587 HA TYR 78 HA TYR 78 -5.831 3.498 2.207 588 HB2 TYR 78 1HB TYR 78 -4.725 2.883 -0.538 589 HB3 TYR 78 2HB TYR 78 -3.744 3.438 0.814 590 HD1 TYR 78 2HD TYR 78 -5.797 0.653 -0.458 591 HD2 TYR 78 1HD TYR 78 -3.114 1.952 2.578 592 HE1 TYR 78 2HE TYR 78 -5.539 -1.672 0.300 593 HE2 TYR 78 1HE TYR 78 -2.847 -0.370 3.344 594 HH TYR 78 HH TYR 78 -4.185 -3.059 1.558 595 H THR 79 H THR 79 -6.387 5.567 2.635 596 HA THR 79 HA THR 79 -6.256 7.555 0.491 597 HB THR 79 HB THR 79 -7.281 7.791 3.326 598 HG1 THR 79 1HG THR 79 -9.289 7.750 2.354 599 HG21 THR 79 3HG2 THR 79 -6.999 9.796 1.112 600 HG22 THR 79 1HG2 THR 79 -6.566 9.954 2.814 601 HG23 THR 79 2HG2 THR 79 -8.262 9.963 2.331 602 H CYS 80 H CYS 80 -4.323 8.435 0.162 603 HA CYS 80 HA CYS 80 -2.429 8.687 2.359 604 HB2 CYS 80 1HB CYS 80 -2.270 8.739 -0.603 605 HB3 CYS 80 2HB CYS 80 -1.096 9.722 0.263 606 HG CYS 80 HG CYS 80 -0.055 7.579 1.733 607 H GLU 81 H GLU 81 -3.421 10.337 3.571 608 HA GLU 81 HA GLU 81 -4.027 12.880 2.379 609 HB2 GLU 81 1HB GLU 81 -5.003 11.699 4.542 610 HB3 GLU 81 2HB GLU 81 -3.691 12.567 5.326 611 HG2 GLU 81 1HG GLU 81 -4.579 14.657 4.240 612 HG3 GLU 81 2HG GLU 81 -5.995 13.713 3.779 613 H VAL 82 H VAL 82 -2.189 13.746 1.489 614 HA VAL 82 HA VAL 82 0.252 13.940 3.033 615 HB VAL 82 HB VAL 82 0.061 13.626 0.470 616 HG11 VAL 82 1HG1 VAL 82 -0.423 16.580 0.761 617 HG12 VAL 82 2HG1 VAL 82 0.223 15.860 -0.715 618 HG13 VAL 82 3HG1 VAL 82 -1.377 15.398 -0.135 619 HG21 VAL 82 3HG2 VAL 82 2.253 14.068 0.447 620 HG22 VAL 82 1HG2 VAL 82 2.002 15.766 0.851 621 HG23 VAL 82 2HG2 VAL 82 2.048 14.552 2.130 622 H GLU 83 H GLU 83 1.347 16.276 2.684 623 HA GLU 83 HA GLU 83 0.653 17.993 4.536 624 HB2 GLU 83 1HB GLU 83 1.124 19.879 2.672 625 HB3 GLU 83 2HB GLU 83 2.390 18.900 3.400 626 HG2 GLU 83 1HG GLU 83 2.684 17.628 1.523 627 HG3 GLU 83 2HG GLU 83 1.037 17.891 0.953 628 H ALA 84 H ALA 84 -0.599 18.781 1.299 629 HA ALA 84 HA ALA 84 -3.106 19.649 2.585 630 HB1 ALA 84 3HB ALA 84 -2.934 21.637 1.610 631 HB2 ALA 84 1HB ALA 84 -1.301 21.189 1.115 632 HB3 ALA 84 2HB ALA 84 -2.663 20.902 0.030 633 H SER 85 H SER 85 -1.620 18.043 -0.157 634 HA SER 85 HA SER 85 -4.107 17.547 -1.509 635 HB2 SER 85 1HB SER 85 -1.278 16.590 -1.915 636 HB3 SER 85 2HB SER 85 -2.617 15.939 -2.861 637 HG SER 85 HG SER 85 -3.027 18.393 -3.137 638 H LYS 86 H LYS 86 -4.344 15.068 -2.222 639 HA LYS 86 HA LYS 86 -3.779 13.056 -0.342 640 HB2 LYS 86 1HB LYS 86 -5.252 14.108 1.189 641 HB3 LYS 86 2HB LYS 86 -6.446 14.429 -0.061 642 HG2 LYS 86 1HG LYS 86 -6.549 11.835 -0.247 643 HG3 LYS 86 2HG LYS 86 -5.838 11.884 1.368 644 HD2 LYS 86 1HD LYS 86 -8.049 11.909 1.935 645 HD3 LYS 86 2HD LYS 86 -7.779 13.645 1.765 646 HE2 LYS 86 1HE LYS 86 -8.455 13.211 -0.720 647 HE3 LYS 86 2HE LYS 86 -9.193 11.751 -0.063 648 HZ1 LYS 86 3HZ LYS 86 -10.603 13.021 1.310 649 HZ2 LYS 86 1HZ LYS 86 -10.672 13.754 -0.214 650 HZ3 LYS 86 2HZ LYS 86 -9.749 14.452 1.020 651 H SER 87 H SER 87 -4.396 11.041 -1.072 652 HA SER 87 HA SER 87 -5.977 10.990 -3.558 653 HB2 SER 87 1HB SER 87 -3.423 10.623 -3.761 654 HB3 SER 87 2HB SER 87 -3.735 9.054 -3.018 655 HG SER 87 HG SER 87 -4.764 8.403 -4.778 656 H THR 88 H THR 88 -6.856 8.783 -4.048 657 HA THR 88 HA THR 88 -7.350 7.145 -1.679 658 HB THR 88 HB THR 88 -9.648 8.082 -3.396 659 HG1 THR 88 1HG THR 88 -9.296 9.900 -2.317 660 HG21 THR 88 3HG2 THR 88 -11.040 7.115 -1.720 661 HG22 THR 88 1HG2 THR 88 -9.669 6.847 -0.646 662 HG23 THR 88 2HG2 THR 88 -9.821 5.909 -2.132 663 H ALA 89 H ALA 89 -7.512 5.012 -2.117 664 HA ALA 89 HA ALA 89 -7.999 4.154 -4.874 665 HB1 ALA 89 3HB ALA 89 -5.504 3.712 -3.312 666 HB2 ALA 89 1HB ALA 89 -6.069 2.434 -4.388 667 HB3 ALA 89 2HB ALA 89 -5.718 4.039 -5.032 668 H SER 90 H SER 90 -8.093 1.650 -4.923 669 HA SER 90 HA SER 90 -9.241 0.582 -2.446 670 HB2 SER 90 1HB SER 90 -11.206 -0.251 -3.561 671 HB3 SER 90 2HB SER 90 -11.080 1.472 -3.914 672 HG SER 90 HG SER 90 -11.535 0.022 -5.743 673 H LEU 91 H LEU 91 -8.077 -1.158 -1.988 674 HA LEU 91 HA LEU 91 -6.699 -2.637 -4.047 675 HB2 LEU 91 1HB LEU 91 -5.472 -2.364 -2.069 676 HB3 LEU 91 2HB LEU 91 -6.840 -2.824 -1.057 677 HG LEU 91 HG LEU 91 -6.602 -5.152 -1.872 678 HD11 LEU 91 1HD1 LEU 91 -5.044 -5.825 -3.374 679 HD12 LEU 91 2HD1 LEU 91 -3.893 -4.572 -2.912 680 HD13 LEU 91 3HD1 LEU 91 -5.259 -4.173 -3.954 681 HD21 LEU 91 3HD2 LEU 91 -4.138 -3.949 -0.615 682 HD22 LEU 91 1HD2 LEU 91 -4.573 -5.658 -0.594 683 HD23 LEU 91 2HD2 LEU 91 -5.591 -4.479 0.234 684 H HIS 92 H HIS 92 -7.066 -4.747 -4.670 685 HA HIS 92 HA HIS 92 -9.581 -5.960 -3.731 686 HB2 HIS 92 1HB HIS 92 -8.512 -6.111 -6.554 687 HB3 HIS 92 2HB HIS 92 -10.055 -6.727 -5.971 688 HD1 HIS 92 1HD HIS 92 -11.676 -4.711 -4.969 689 HD2 HIS 92 2HD HIS 92 -8.705 -3.661 -7.676 690 HE1 HIS 92 1HE HIS 92 -12.353 -2.463 -5.871 691 HE2 HIS 92 2HE HIS 92 -10.585 -1.887 -7.570 692 H VAL 93 H VAL 93 -9.625 -8.187 -3.503 693 HA VAL 93 HA VAL 93 -7.205 -9.701 -4.122 694 HB VAL 93 HB VAL 93 -8.365 -9.457 -1.347 695 HG11 VAL 93 1HG1 VAL 93 -6.444 -11.484 -2.471 696 HG12 VAL 93 2HG1 VAL 93 -6.612 -11.161 -0.744 697 HG13 VAL 93 3HG1 VAL 93 -7.984 -11.779 -1.665 698 HG21 VAL 93 3HG2 VAL 93 -6.747 -7.730 -1.978 699 HG22 VAL 93 1HG2 VAL 93 -6.096 -8.799 -0.735 700 HG23 VAL 93 2HG2 VAL 93 -5.581 -8.980 -2.411 701 H GLU 94 H GLU 94 -7.778 -11.524 -5.089 702 HA GLU 94 HA GLU 94 -10.215 -12.904 -4.216 703 HB2 GLU 94 1HB GLU 94 -9.485 -12.292 -7.084 704 HB3 GLU 94 2HB GLU 94 -10.768 -13.390 -6.596 705 HG2 GLU 94 1HG GLU 94 -11.709 -11.376 -5.303 706 HG3 GLU 94 2HG GLU 94 -10.630 -10.416 -6.314 707 H GLU 95 H GLU 95 -10.060 -15.087 -4.145 708 HA GLU 95 HA GLU 95 -7.430 -16.230 -4.567 709 HB2 GLU 95 1HB GLU 95 -9.091 -16.651 -2.584 710 HB3 GLU 95 2HB GLU 95 -9.809 -17.820 -3.684 711 HG2 GLU 95 1HG GLU 95 -7.388 -18.705 -3.927 712 HG3 GLU 95 2HG GLU 95 -7.103 -17.825 -2.427 713 H LYS 96 H LYS 96 -6.909 -17.844 -6.000 714 HA LYS 96 HA LYS 96 -8.380 -17.934 -8.429 715 HB2 LYS 96 1HB LYS 96 -5.960 -19.367 -7.382 716 HB3 LYS 96 2HB LYS 96 -6.696 -19.864 -8.900 717 HG2 LYS 96 1HG LYS 96 -6.205 -17.830 -9.939 718 HG3 LYS 96 2HG LYS 96 -5.905 -17.016 -8.402 719 HD2 LYS 96 1HD LYS 96 -4.007 -18.812 -8.176 720 HD3 LYS 96 2HD LYS 96 -4.162 -18.895 -9.933 721 HE2 LYS 96 1HE LYS 96 -3.754 -16.326 -8.414 722 HE3 LYS 96 2HE LYS 96 -2.431 -17.285 -9.076 723 HZ1 LYS 96 3HZ LYS 96 -4.368 -16.874 -11.074 724 HZ2 LYS 96 1HZ LYS 96 -2.759 -16.353 -11.040 725 HZ3 LYS 96 2HZ LYS 96 -3.977 -15.379 -10.386 726 H ALA 97 H ALA 97 -10.061 -19.161 -8.939 727 HA ALA 97 HA ALA 97 -10.651 -21.506 -7.269 728 HB1 ALA 97 3HB ALA 97 -12.634 -20.360 -9.177 729 HB2 ALA 97 1HB ALA 97 -12.893 -21.164 -7.629 730 HB3 ALA 97 2HB ALA 97 -12.293 -19.506 -7.672 731 H SER 98 H SER 98 -10.826 -23.516 -8.119 732 HA SER 98 HA SER 98 -10.076 -23.815 -10.940 733 HB2 SER 98 1HB SER 98 -8.566 -24.988 -9.516 734 HB3 SER 98 2HB SER 98 -9.885 -25.685 -8.575 735 HG SER 98 HG SER 98 -9.339 -27.285 -9.929 736 H GLY 99 H GLY 99 -12.241 -25.340 -8.545 737 HA2 GLY 99 1HA GLY 99 -13.732 -26.949 -10.184 738 HA3 GLY 99 2HA GLY 99 -14.392 -26.128 -8.778 739 HA PRO 100 HA PRO 100 -16.387 -24.631 -12.788 740 HB2 PRO 100 1HB PRO 100 -18.882 -25.579 -12.287 741 HB3 PRO 100 2HB PRO 100 -17.650 -26.518 -13.138 742 HG2 PRO 100 1HG PRO 100 -18.486 -26.651 -10.266 743 HG3 PRO 100 2HG PRO 100 -18.138 -27.976 -11.392 744 HD2 PRO 100 1HD PRO 100 -16.352 -27.131 -9.541 745 HD3 PRO 100 2HD PRO 100 -15.858 -27.778 -11.118 746 H SER 101 H SER 101 -16.061 -22.563 -11.813 747 HA SER 101 HA SER 101 -17.435 -21.552 -9.612 748 HB2 SER 101 1HB SER 101 -15.483 -20.486 -10.833 749 HB3 SER 101 2HB SER 101 -16.648 -19.919 -12.030 750 HG SER 101 HG SER 101 -16.997 -19.402 -9.278 751 H SER 102 H SER 102 -19.164 -19.932 -9.579 752 HA SER 102 HA SER 102 -21.174 -20.424 -11.678 753 HB2 SER 102 1HB SER 102 -22.907 -20.178 -9.921 754 HB3 SER 102 2HB SER 102 -21.833 -21.543 -9.613 755 HG SER 102 HG SER 102 -21.710 -20.599 -7.719 756 H GLY 103 H GLY 103 -20.003 -18.130 -9.239 757 HA2 GLY 103 1HA GLY 103 -21.365 -15.965 -10.702 758 HA3 GLY 103 2HA GLY 103 -20.829 -15.877 -9.030 Start of MODEL 18 1 H1 GLY 1 H GLY 1 22.609 23.687 -2.888 2 HA2 GLY 1 1HA GLY 1 22.208 26.038 -1.323 3 HA3 GLY 1 2HA GLY 1 23.379 26.322 -2.603 4 H SER 2 H SER 2 20.313 24.511 -2.411 5 HA SER 2 HA SER 2 19.495 25.803 -4.915 6 HB2 SER 2 1HB SER 2 18.762 23.224 -3.572 7 HB3 SER 2 2HB SER 2 17.644 23.954 -4.725 8 HG SER 2 HG SER 2 19.900 22.568 -5.196 9 H SER 3 H SER 3 18.926 27.793 -3.873 10 HA SER 3 HA SER 3 16.473 27.643 -2.251 11 HB2 SER 3 1HB SER 3 18.444 28.750 -1.184 12 HB3 SER 3 2HB SER 3 18.408 29.961 -2.465 13 HG SER 3 HG SER 3 17.276 30.675 -0.625 14 H GLY 4 H GLY 4 14.630 28.397 -3.077 15 HA2 GLY 4 1HA GLY 4 14.286 30.637 -4.674 16 HA3 GLY 4 2HA GLY 4 14.496 29.283 -5.774 17 H SER 5 H SER 5 12.200 30.436 -6.101 18 HA SER 5 HA SER 5 10.043 30.019 -4.483 19 HB2 SER 5 1HB SER 5 8.655 30.037 -6.470 20 HB3 SER 5 2HB SER 5 9.992 31.163 -6.701 21 HG SER 5 HG SER 5 9.911 29.980 -8.542 22 H SER 6 H SER 6 9.383 28.267 -3.446 23 HA SER 6 HA SER 6 9.596 25.661 -4.807 24 HB2 SER 6 1HB SER 6 9.795 24.640 -2.563 25 HB3 SER 6 2HB SER 6 11.102 25.779 -2.883 26 HG SER 6 HG SER 6 8.807 26.757 -1.636 27 H GLY 7 H GLY 7 7.829 24.348 -4.858 28 HA2 GLY 7 1HA GLY 7 5.311 25.570 -3.984 29 HA3 GLY 7 2HA GLY 7 5.476 24.277 -5.163 30 HA PRO 8 HA PRO 8 4.190 22.592 -0.963 31 HB2 PRO 8 1HB PRO 8 1.819 21.545 -1.772 32 HB3 PRO 8 2HB PRO 8 1.985 23.201 -1.176 33 HG2 PRO 8 1HG PRO 8 1.846 22.207 -3.997 34 HG3 PRO 8 2HG PRO 8 1.050 23.613 -3.265 35 HD2 PRO 8 1HD PRO 8 3.293 23.827 -4.767 36 HD3 PRO 8 2HD PRO 8 2.943 24.920 -3.413 37 H ALA 9 H ALA 9 4.206 20.404 -0.374 38 HA ALA 9 HA ALA 9 5.401 18.646 -2.335 39 HB1 ALA 9 3HB ALA 9 6.028 18.922 0.175 40 HB2 ALA 9 1HB ALA 9 4.706 17.784 0.440 41 HB3 ALA 9 2HB ALA 9 6.079 17.324 -0.569 42 H ALA 10 H ALA 10 2.645 19.368 -2.787 43 HA ALA 10 HA ALA 10 0.805 17.432 -1.982 44 HB1 ALA 10 3HB ALA 10 -0.136 19.303 -2.975 45 HB2 ALA 10 1HB ALA 10 0.965 19.252 -4.352 46 HB3 ALA 10 2HB ALA 10 -0.334 18.066 -4.217 47 H ILE 11 H ILE 11 -0.289 15.907 -3.624 48 HA ILE 11 HA ILE 11 1.810 14.173 -4.701 49 HB ILE 11 HB ILE 11 -1.106 13.585 -4.176 50 HG12 ILE 11 1HG1 ILE 11 1.205 12.367 -2.704 51 HG13 ILE 11 2HG1 ILE 11 0.612 13.956 -2.234 52 HG21 ILE 11 1HG2 ILE 11 -0.857 11.783 -5.443 53 HG22 ILE 11 2HG2 ILE 11 0.812 12.232 -5.790 54 HG23 ILE 11 3HG2 ILE 11 0.442 11.231 -4.386 55 HD11 ILE 11 3HD1 ILE 11 -1.431 13.125 -1.538 56 HD12 ILE 11 1HD1 ILE 11 -1.266 11.647 -2.487 57 HD13 ILE 11 2HD1 ILE 11 -0.296 11.874 -1.031 58 H ILE 12 H ILE 12 2.175 14.069 -6.810 59 HA ILE 12 HA ILE 12 0.289 15.313 -8.652 60 HB ILE 12 HB ILE 12 2.245 14.622 -10.299 61 HG12 ILE 12 1HG1 ILE 12 3.327 13.416 -8.248 62 HG13 ILE 12 2HG1 ILE 12 4.347 14.332 -9.352 63 HG21 ILE 12 1HG2 ILE 12 3.397 16.803 -9.605 64 HG22 ILE 12 2HG2 ILE 12 1.699 16.882 -10.072 65 HG23 ILE 12 3HG2 ILE 12 2.146 16.914 -8.366 66 HD11 ILE 12 3HD1 ILE 12 4.530 14.578 -6.731 67 HD12 ILE 12 1HD1 ILE 12 4.794 15.942 -7.818 68 HD13 ILE 12 2HD1 ILE 12 3.243 15.753 -7.000 69 H LYS 13 H LYS 13 1.709 12.177 -7.942 70 HA LYS 13 HA LYS 13 0.023 10.971 -10.033 71 HB2 LYS 13 1HB LYS 13 2.549 9.991 -8.704 72 HB3 LYS 13 2HB LYS 13 1.542 8.968 -9.719 73 HG2 LYS 13 1HG LYS 13 1.849 10.803 -11.499 74 HG3 LYS 13 2HG LYS 13 3.192 11.341 -10.487 75 HD2 LYS 13 1HD LYS 13 4.350 9.888 -11.784 76 HD3 LYS 13 2HD LYS 13 3.750 8.721 -10.604 77 HE2 LYS 13 1HE LYS 13 2.014 9.326 -12.929 78 HE3 LYS 13 2HE LYS 13 3.472 8.384 -13.234 79 HZ1 LYS 13 3HZ LYS 13 1.251 7.217 -12.583 80 HZ2 LYS 13 1HZ LYS 13 1.727 7.608 -11.007 81 HZ3 LYS 13 2HZ LYS 13 2.724 6.646 -11.977 82 HA PRO 14 HA PRO 14 -2.320 9.716 -6.375 83 HB2 PRO 14 1HB PRO 14 -4.541 9.026 -7.774 84 HB3 PRO 14 2HB PRO 14 -4.161 10.696 -7.339 85 HG2 PRO 14 1HG PRO 14 -3.725 9.269 -9.934 86 HG3 PRO 14 2HG PRO 14 -4.335 10.909 -9.648 87 HD2 PRO 14 1HD PRO 14 -1.775 10.414 -10.377 88 HD3 PRO 14 2HD PRO 14 -2.224 11.775 -9.329 89 H LEU 15 H LEU 15 -3.114 7.697 -5.626 90 HA LEU 15 HA LEU 15 -1.668 5.449 -6.518 91 HB2 LEU 15 1HB LEU 15 -4.080 5.635 -4.720 92 HB3 LEU 15 2HB LEU 15 -3.113 4.179 -4.949 93 HG LEU 15 HG LEU 15 -2.018 6.756 -3.833 94 HD11 LEU 15 1HD1 LEU 15 -3.889 5.528 -2.509 95 HD12 LEU 15 2HD1 LEU 15 -2.414 6.030 -1.682 96 HD13 LEU 15 3HD1 LEU 15 -2.621 4.349 -2.173 97 HD21 LEU 15 3HD2 LEU 15 -0.057 5.746 -4.069 98 HD22 LEU 15 1HD2 LEU 15 -0.840 4.303 -4.715 99 HD23 LEU 15 2HD2 LEU 15 -0.607 4.476 -2.975 100 H GLU 16 H GLU 16 -3.031 3.280 -6.801 101 HA GLU 16 HA GLU 16 -5.276 3.671 -8.618 102 HB2 GLU 16 1HB GLU 16 -2.772 2.182 -9.429 103 HB3 GLU 16 2HB GLU 16 -4.263 2.251 -10.357 104 HG2 GLU 16 1HG GLU 16 -3.997 4.576 -10.767 105 HG3 GLU 16 2HG GLU 16 -2.660 4.684 -9.624 106 H ASP 17 H ASP 17 -6.637 1.902 -8.781 107 HA ASP 17 HA ASP 17 -6.867 0.210 -6.606 108 HB2 ASP 17 1HB ASP 17 -7.939 -0.027 -9.416 109 HB3 ASP 17 2HB ASP 17 -8.358 -1.175 -8.147 110 H GLN 18 H GLN 18 -5.884 -1.599 -5.981 111 HA GLN 18 HA GLN 18 -4.063 -2.909 -7.876 112 HB2 GLN 18 1HB GLN 18 -4.123 -2.890 -4.857 113 HB3 GLN 18 2HB GLN 18 -3.032 -3.891 -5.805 114 HG2 GLN 18 1HG GLN 18 -3.143 -0.887 -5.931 115 HG3 GLN 18 2HG GLN 18 -1.996 -1.815 -4.966 116 HE21 GLN 18 1HE2 GLN 18 -1.449 0.059 -7.090 117 HE22 GLN 18 2HE2 GLN 18 -0.588 -0.810 -8.309 118 H TRP 19 H TRP 19 -4.297 -5.002 -8.432 119 HA TRP 19 HA TRP 19 -6.452 -6.521 -7.113 120 HB2 TRP 19 1HB TRP 19 -5.804 -6.178 -10.019 121 HB3 TRP 19 2HB TRP 19 -6.562 -7.670 -9.469 122 HD1 TRP 19 HD TRP 19 -9.074 -7.487 -8.506 123 HE1 TRP 19 1HE TRP 19 -10.911 -5.724 -8.881 124 HE3 TRP 19 3HE TRP 19 -6.196 -3.703 -10.386 125 HZ2 TRP 19 2HZ TRP 19 -11.114 -3.080 -9.847 126 HZ3 TRP 19 3HZ TRP 19 -7.289 -1.589 -11.012 127 HH2 TRP 19 HH TRP 19 -9.697 -1.286 -10.747 128 H VAL 20 H VAL 20 -5.372 -7.909 -5.835 129 HA VAL 20 HA VAL 20 -3.374 -9.647 -7.124 130 HB VAL 20 HB VAL 20 -2.033 -9.712 -5.149 131 HG11 VAL 20 1HG1 VAL 20 -1.017 -7.702 -5.403 132 HG12 VAL 20 2HG1 VAL 20 -2.149 -7.575 -6.751 133 HG13 VAL 20 3HG1 VAL 20 -2.517 -6.795 -5.213 134 HG21 VAL 20 3HG2 VAL 20 -2.574 -8.486 -3.119 135 HG22 VAL 20 1HG2 VAL 20 -4.072 -7.908 -3.849 136 HG23 VAL 20 2HG2 VAL 20 -3.862 -9.626 -3.510 137 H ALA 21 H ALA 21 -2.928 -11.507 -5.289 138 HA ALA 21 HA ALA 21 -5.583 -12.697 -4.854 139 HB1 ALA 21 3HB ALA 21 -3.191 -13.715 -6.001 140 HB2 ALA 21 1HB ALA 21 -3.538 -14.634 -4.535 141 HB3 ALA 21 2HB ALA 21 -4.751 -14.516 -5.811 142 HA PRO 22 HA PRO 22 -5.132 -12.823 -0.492 143 HB2 PRO 22 1HB PRO 22 -6.081 -15.286 0.143 144 HB3 PRO 22 2HB PRO 22 -7.122 -13.968 -0.405 145 HG2 PRO 22 1HG PRO 22 -6.014 -16.276 -1.955 146 HG3 PRO 22 2HG PRO 22 -7.647 -15.585 -1.991 147 HD2 PRO 22 1HD PRO 22 -5.788 -15.032 -3.882 148 HD3 PRO 22 2HD PRO 22 -7.020 -13.855 -3.380 149 H GLY 23 H GLY 23 -2.803 -12.764 -0.457 150 HA2 GLY 23 1HA GLY 23 -1.413 -14.264 1.172 151 HA3 GLY 23 2HA GLY 23 -1.456 -15.357 -0.203 152 H GLU 24 H GLU 24 -1.453 -12.600 -1.761 153 HA GLU 24 HA GLU 24 1.441 -12.608 -2.087 154 HB2 GLU 24 1HB GLU 24 -0.549 -10.976 -3.657 155 HB3 GLU 24 2HB GLU 24 1.084 -11.432 -4.123 156 HG2 GLU 24 1HG GLU 24 0.087 -13.866 -3.874 157 HG3 GLU 24 2HG GLU 24 -1.422 -13.012 -4.190 158 H ASP 25 H ASP 25 2.380 -10.328 -2.608 159 HA ASP 25 HA ASP 25 1.667 -8.596 -0.344 160 HB2 ASP 25 1HB ASP 25 3.969 -7.609 -0.758 161 HB3 ASP 25 2HB ASP 25 3.939 -9.275 -0.186 162 H VAL 26 H VAL 26 1.114 -6.493 -0.626 163 HA VAL 26 HA VAL 26 0.825 -5.575 -3.409 164 HB VAL 26 HB VAL 26 -0.751 -4.877 -0.934 165 HG11 VAL 26 1HG1 VAL 26 -2.053 -3.588 -2.912 166 HG12 VAL 26 2HG1 VAL 26 -0.870 -2.819 -1.852 167 HG13 VAL 26 3HG1 VAL 26 -0.386 -3.388 -3.450 168 HG21 VAL 26 3HG2 VAL 26 -1.832 -5.863 -3.549 169 HG22 VAL 26 1HG2 VAL 26 -1.190 -6.988 -2.351 170 HG23 VAL 26 2HG2 VAL 26 -2.555 -5.947 -1.942 171 H GLU 27 H GLU 27 1.721 -3.692 -4.055 172 HA GLU 27 HA GLU 27 3.043 -2.034 -2.012 173 HB2 GLU 27 1HB GLU 27 4.148 -2.656 -4.755 174 HB3 GLU 27 2HB GLU 27 4.923 -1.689 -3.508 175 HG2 GLU 27 1HG GLU 27 5.248 -3.591 -2.120 176 HG3 GLU 27 2HG GLU 27 4.242 -4.595 -3.163 177 H LEU 28 H LEU 28 2.081 -0.120 -1.966 178 HA LEU 28 HA LEU 28 0.970 0.979 -4.454 179 HB2 LEU 28 1HB LEU 28 0.436 1.755 -1.590 180 HB3 LEU 28 2HB LEU 28 -0.341 2.457 -3.008 181 HG LEU 28 HG LEU 28 -0.583 -0.479 -2.543 182 HD11 LEU 28 1HD1 LEU 28 -1.423 -0.133 -0.499 183 HD12 LEU 28 2HD1 LEU 28 -2.826 0.513 -1.350 184 HD13 LEU 28 3HD1 LEU 28 -1.579 1.606 -0.750 185 HD21 LEU 28 3HD2 LEU 28 -1.552 0.192 -4.549 186 HD22 LEU 28 1HD2 LEU 28 -2.172 1.693 -3.861 187 HD23 LEU 28 2HD2 LEU 28 -2.917 0.152 -3.431 188 H ARG 29 H ARG 29 2.541 2.116 -5.443 189 HA ARG 29 HA ARG 29 4.238 3.893 -3.855 190 HB2 ARG 29 1HB ARG 29 4.391 3.042 -6.751 191 HB3 ARG 29 2HB ARG 29 5.510 4.162 -5.987 192 HG2 ARG 29 1HG ARG 29 6.126 2.372 -4.384 193 HG3 ARG 29 2HG ARG 29 5.100 1.262 -5.297 194 HD2 ARG 29 1HD ARG 29 7.332 2.822 -6.571 195 HD3 ARG 29 2HD ARG 29 7.584 1.239 -5.836 196 HE ARG 29 HE ARG 29 6.471 0.262 -7.603 197 HH11 ARG 29 2HH1 ARG 29 6.120 3.723 -7.735 198 HH12 ARG 29 1HH1 ARG 29 5.455 3.726 -9.335 199 HH21 ARG 29 2HH2 ARG 29 5.597 0.252 -9.710 200 HH22 ARG 29 1HH2 ARG 29 5.157 1.751 -10.457 201 H CYS 30 H CYS 30 4.377 6.104 -4.226 202 HA CYS 30 HA CYS 30 2.396 7.276 -6.047 203 HB2 CYS 30 1HB CYS 30 1.430 8.631 -4.439 204 HB3 CYS 30 2HB CYS 30 1.720 7.160 -3.518 205 HG CYS 30 HG CYS 30 2.288 9.676 -2.135 206 H GLU 31 H GLU 31 2.784 9.880 -5.763 207 HA GLU 31 HA GLU 31 5.670 10.380 -5.869 208 HB2 GLU 31 1HB GLU 31 4.646 9.939 -8.182 209 HB3 GLU 31 2HB GLU 31 3.827 11.481 -7.979 210 HG2 GLU 31 1HG GLU 31 5.743 12.692 -8.194 211 HG3 GLU 31 2HG GLU 31 6.762 11.401 -7.560 212 H LEU 32 H LEU 32 6.284 12.317 -5.063 213 HA LEU 32 HA LEU 32 4.147 14.207 -4.323 214 HB2 LEU 32 1HB LEU 32 6.688 13.938 -2.767 215 HB3 LEU 32 2HB LEU 32 5.146 14.625 -2.263 216 HG LEU 32 HG LEU 32 5.316 11.702 -2.849 217 HD11 LEU 32 1HD1 LEU 32 6.452 11.145 -0.992 218 HD12 LEU 32 2HD1 LEU 32 5.801 12.493 -0.060 219 HD13 LEU 32 3HD1 LEU 32 7.149 12.756 -1.166 220 HD21 LEU 32 3HD2 LEU 32 3.792 12.079 -0.627 221 HD22 LEU 32 1HD2 LEU 32 3.174 12.035 -2.278 222 HD23 LEU 32 2HD2 LEU 32 3.515 13.584 -1.506 223 H SER 33 H SER 33 4.429 16.300 -4.847 224 HA SER 33 HA SER 33 6.271 17.071 -6.783 225 HB2 SER 33 1HB SER 33 4.289 18.367 -6.552 226 HB3 SER 33 2HB SER 33 4.612 18.691 -4.850 227 HG SER 33 HG SER 33 6.394 19.540 -6.865 228 H ARG 34 H ARG 34 6.660 16.761 -3.399 229 HA ARG 34 HA ARG 34 9.393 17.760 -3.617 230 HB2 ARG 34 1HB ARG 34 8.158 19.683 -2.789 231 HB3 ARG 34 2HB ARG 34 7.430 18.704 -1.523 232 HG2 ARG 34 1HG ARG 34 9.923 18.279 -0.844 233 HG3 ARG 34 2HG ARG 34 10.198 19.774 -1.740 234 HD2 ARG 34 1HD ARG 34 8.066 19.577 0.361 235 HD3 ARG 34 2HD ARG 34 9.741 19.930 0.785 236 HE ARG 34 HE ARG 34 8.840 21.661 -1.269 237 HH11 ARG 34 2HH1 ARG 34 8.573 21.076 2.152 238 HH12 ARG 34 1HH1 ARG 34 8.238 22.731 2.541 239 HH21 ARG 34 2HH2 ARG 34 8.400 23.843 -0.770 240 HH22 ARG 34 1HH2 ARG 34 8.139 24.304 0.878 241 H ALA 35 H ALA 35 10.840 16.651 -2.389 242 HA ALA 35 HA ALA 35 9.899 14.219 -1.140 243 HB1 ALA 35 3HB ALA 35 12.707 14.637 -0.772 244 HB2 ALA 35 1HB ALA 35 11.878 13.439 -1.766 245 HB3 ALA 35 2HB ALA 35 12.261 15.026 -2.434 246 H GLY 36 H GLY 36 10.560 13.554 1.011 247 HA2 GLY 36 1HA GLY 36 11.394 14.073 3.197 248 HA3 GLY 36 2HA GLY 36 11.151 15.778 2.845 249 H THR 37 H THR 37 8.582 15.877 1.971 250 HA THR 37 HA THR 37 7.108 15.858 4.352 251 HB THR 37 HB THR 37 5.992 15.839 1.541 252 HG1 THR 37 1HG THR 37 7.320 17.771 3.032 253 HG21 THR 37 3HG2 THR 37 4.721 15.827 4.064 254 HG22 THR 37 1HG2 THR 37 3.985 16.065 2.480 255 HG23 THR 37 2HG2 THR 37 4.548 17.455 3.408 256 HA PRO 38 HA PRO 38 6.167 11.502 4.547 257 HB2 PRO 38 1HB PRO 38 4.682 11.649 6.816 258 HB3 PRO 38 2HB PRO 38 6.449 11.699 6.819 259 HG2 PRO 38 1HG PRO 38 4.490 13.956 6.999 260 HG3 PRO 38 2HG PRO 38 5.985 13.696 7.917 261 HD2 PRO 38 1HD PRO 38 5.846 15.389 5.808 262 HD3 PRO 38 2HD PRO 38 7.319 14.483 6.210 263 H VAL 39 H VAL 39 4.162 10.184 4.735 264 HA VAL 39 HA VAL 39 1.834 11.614 3.624 265 HB VAL 39 HB VAL 39 3.051 10.109 1.999 266 HG11 VAL 39 1HG1 VAL 39 1.907 7.945 3.762 267 HG12 VAL 39 2HG1 VAL 39 2.692 7.702 2.201 268 HG13 VAL 39 3HG1 VAL 39 3.618 8.323 3.568 269 HG21 VAL 39 3HG2 VAL 39 0.772 10.781 1.586 270 HG22 VAL 39 1HG2 VAL 39 0.962 9.084 1.144 271 HG23 VAL 39 2HG2 VAL 39 0.167 9.517 2.657 272 H HIS 40 H HIS 40 -0.206 10.994 4.311 273 HA HIS 40 HA HIS 40 -0.238 9.441 6.799 274 HB2 HIS 40 1HB HIS 40 -1.214 11.874 6.464 275 HB3 HIS 40 2HB HIS 40 -2.606 10.994 5.839 276 HD1 HIS 40 1HD HIS 40 -2.557 12.686 8.516 277 HD2 HIS 40 2HD HIS 40 -2.228 8.555 8.226 278 HE1 HIS 40 1HE HIS 40 -3.299 11.795 10.747 279 HE2 HIS 40 2HE HIS 40 -3.011 9.298 10.577 280 H TRP 41 H TRP 41 -0.387 7.338 6.142 281 HA TRP 41 HA TRP 41 -2.202 6.511 4.075 282 HB2 TRP 41 1HB TRP 41 -0.550 4.936 6.059 283 HB3 TRP 41 2HB TRP 41 -1.520 4.205 4.784 284 HD1 TRP 41 HD TRP 41 1.760 6.012 5.381 285 HE1 TRP 41 1HE TRP 41 3.152 5.969 3.217 286 HE3 TRP 41 3HE TRP 41 -1.777 4.177 2.178 287 HZ2 TRP 41 2HZ TRP 41 2.798 5.252 0.510 288 HZ3 TRP 41 3HZ TRP 41 -1.170 3.843 -0.183 289 HH2 TRP 41 HH TRP 41 1.071 4.370 -0.998 290 H LEU 42 H LEU 42 -4.324 6.448 4.384 291 HA LEU 42 HA LEU 42 -5.336 5.642 7.031 292 HB2 LEU 42 1HB LEU 42 -6.672 7.337 4.927 293 HB3 LEU 42 2HB LEU 42 -7.380 6.876 6.473 294 HG LEU 42 HG LEU 42 -4.809 8.377 6.490 295 HD11 LEU 42 1HD1 LEU 42 -5.878 9.784 4.986 296 HD12 LEU 42 2HD1 LEU 42 -6.299 10.480 6.550 297 HD13 LEU 42 3HD1 LEU 42 -7.471 9.487 5.684 298 HD21 LEU 42 3HD2 LEU 42 -5.656 7.644 8.595 299 HD22 LEU 42 1HD2 LEU 42 -7.265 8.266 8.231 300 HD23 LEU 42 2HD2 LEU 42 -5.926 9.384 8.491 301 H LYS 43 H LYS 43 -6.172 3.675 7.091 302 HA LYS 43 HA LYS 43 -7.258 2.518 4.614 303 HB2 LYS 43 1HB LYS 43 -5.450 1.200 5.467 304 HB3 LYS 43 2HB LYS 43 -6.117 1.228 7.094 305 HG2 LYS 43 1HG LYS 43 -7.954 -0.170 6.419 306 HG3 LYS 43 2HG LYS 43 -7.430 -0.106 4.735 307 HD2 LYS 43 1HD LYS 43 -5.260 -1.149 5.501 308 HD3 LYS 43 2HD LYS 43 -6.041 -1.425 7.060 309 HE2 LYS 43 1HE LYS 43 -7.909 -2.493 5.516 310 HE3 LYS 43 2HE LYS 43 -6.543 -2.701 4.421 311 HZ1 LYS 43 3HZ LYS 43 -5.938 -3.498 7.104 312 HZ2 LYS 43 1HZ LYS 43 -5.739 -4.349 5.656 313 HZ3 LYS 43 2HZ LYS 43 -7.230 -4.375 6.453 314 H ASP 44 H ASP 44 -9.384 2.982 4.574 315 HA ASP 44 HA ASP 44 -11.594 2.910 5.107 316 HB2 ASP 44 1HB ASP 44 -10.444 0.734 6.786 317 HB3 ASP 44 2HB ASP 44 -12.087 1.260 7.141 318 H ARG 45 H ARG 45 -10.270 5.063 6.080 319 HA ARG 45 HA ARG 45 -10.457 6.780 7.559 320 HB2 ARG 45 1HB ARG 45 -12.853 5.160 8.421 321 HB3 ARG 45 2HB ARG 45 -12.469 6.741 9.088 322 HG2 ARG 45 1HG ARG 45 -12.670 6.461 6.136 323 HG3 ARG 45 2HG ARG 45 -14.153 6.465 7.093 324 HD2 ARG 45 1HD ARG 45 -12.014 8.586 7.227 325 HD3 ARG 45 2HD ARG 45 -13.492 8.712 6.273 326 HE ARG 45 HE ARG 45 -14.473 8.237 8.710 327 HH11 ARG 45 2HH1 ARG 45 -12.015 10.449 7.619 328 HH12 ARG 45 1HH1 ARG 45 -12.338 11.621 8.853 329 HH21 ARG 45 2HH2 ARG 45 -14.908 9.773 10.339 330 HH22 ARG 45 1HH2 ARG 45 -13.983 11.236 10.400 331 H LYS 46 H LYS 46 -8.569 4.897 8.183 332 HA LYS 46 HA LYS 46 -8.449 5.175 11.075 333 HB2 LYS 46 1HB LYS 46 -8.411 2.523 9.648 334 HB3 LYS 46 2HB LYS 46 -7.653 2.736 11.221 335 HG2 LYS 46 1HG LYS 46 -9.719 3.227 12.256 336 HG3 LYS 46 2HG LYS 46 -10.535 3.407 10.701 337 HD2 LYS 46 1HD LYS 46 -11.213 1.295 11.285 338 HD3 LYS 46 2HD LYS 46 -9.751 0.918 10.371 339 HE2 LYS 46 1HE LYS 46 -9.546 -0.373 12.300 340 HE3 LYS 46 2HE LYS 46 -8.548 1.041 12.636 341 HZ1 LYS 46 3HZ LYS 46 -10.648 1.961 13.733 342 HZ2 LYS 46 1HZ LYS 46 -9.789 0.759 14.558 343 HZ3 LYS 46 2HZ LYS 46 -11.206 0.364 13.724 344 H ALA 47 H ALA 47 -6.555 6.096 11.460 345 HA ALA 47 HA ALA 47 -4.473 6.389 9.654 346 HB1 ALA 47 3HB ALA 47 -3.163 7.225 11.471 347 HB2 ALA 47 1HB ALA 47 -4.833 7.734 11.724 348 HB3 ALA 47 2HB ALA 47 -4.171 6.388 12.652 349 H ILE 48 H ILE 48 -2.971 5.055 8.900 350 HA ILE 48 HA ILE 48 -2.679 2.415 10.073 351 HB ILE 48 HB ILE 48 -1.334 3.553 7.621 352 HG12 ILE 48 1HG1 ILE 48 -3.815 1.833 7.835 353 HG13 ILE 48 2HG1 ILE 48 -3.800 3.546 7.433 354 HG21 ILE 48 1HG2 ILE 48 -0.170 1.634 8.563 355 HG22 ILE 48 2HG2 ILE 48 -1.671 0.710 8.566 356 HG23 ILE 48 3HG2 ILE 48 -0.945 1.206 7.038 357 HD11 ILE 48 3HD1 ILE 48 -3.351 1.240 5.748 358 HD12 ILE 48 1HD1 ILE 48 -3.734 2.905 5.313 359 HD13 ILE 48 2HD1 ILE 48 -2.060 2.433 5.607 360 H ARG 49 H ARG 49 -0.890 1.628 11.074 361 HA ARG 49 HA ARG 49 1.274 3.556 11.597 362 HB2 ARG 49 1HB ARG 49 0.347 1.227 13.288 363 HB3 ARG 49 2HB ARG 49 1.674 2.310 13.684 364 HG2 ARG 49 1HG ARG 49 -0.020 3.204 14.936 365 HG3 ARG 49 2HG ARG 49 -0.153 4.161 13.459 366 HD2 ARG 49 1HD ARG 49 -2.351 3.464 14.115 367 HD3 ARG 49 2HD ARG 49 -1.894 2.578 12.661 368 HE ARG 49 HE ARG 49 -1.244 1.106 14.999 369 HH11 ARG 49 2HH1 ARG 49 -3.914 2.035 12.967 370 HH12 ARG 49 1HH1 ARG 49 -4.869 0.645 13.364 371 HH21 ARG 49 2HH2 ARG 49 -2.492 -0.728 15.530 372 HH22 ARG 49 1HH2 ARG 49 -4.060 -0.925 14.823 373 H LYS 50 H LYS 50 3.245 3.086 10.880 374 HA LYS 50 HA LYS 50 3.841 0.994 9.186 375 HB2 LYS 50 1HB LYS 50 5.209 3.033 9.412 376 HB3 LYS 50 2HB LYS 50 5.769 2.478 10.984 377 HG2 LYS 50 1HG LYS 50 7.037 0.752 10.054 378 HG3 LYS 50 2HG LYS 50 6.188 0.840 8.510 379 HD2 LYS 50 1HD LYS 50 8.247 1.858 8.081 380 HD3 LYS 50 2HD LYS 50 7.149 3.215 8.343 381 HE2 LYS 50 1HE LYS 50 7.916 3.272 10.720 382 HE3 LYS 50 2HE LYS 50 9.121 2.053 10.305 383 HZ1 LYS 50 3HZ LYS 50 9.948 3.646 8.593 384 HZ2 LYS 50 1HZ LYS 50 10.166 4.160 10.190 385 HZ3 LYS 50 2HZ LYS 50 8.922 4.818 9.252 386 H SER 51 H SER 51 4.178 -1.109 9.449 387 HA SER 51 HA SER 51 5.503 -2.174 11.762 388 HB2 SER 51 1HB SER 51 3.714 -3.516 12.631 389 HB3 SER 51 2HB SER 51 3.121 -1.858 12.536 390 HG SER 51 HG SER 51 2.465 -4.083 10.956 391 H GLN 52 H GLN 52 5.483 -4.662 11.645 392 HA GLN 52 HA GLN 52 6.756 -5.596 9.478 393 HB2 GLN 52 1HB GLN 52 6.164 -6.832 11.640 394 HB3 GLN 52 2HB GLN 52 4.680 -7.312 10.827 395 HG2 GLN 52 1HG GLN 52 6.179 -8.231 8.987 396 HG3 GLN 52 2HG GLN 52 7.504 -8.034 10.133 397 HE21 GLN 52 1HE2 GLN 52 5.438 -10.214 8.922 398 HE22 GLN 52 2HE2 GLN 52 5.329 -11.313 10.250 399 H LYS 53 H LYS 53 3.235 -5.465 9.827 400 HA LYS 53 HA LYS 53 2.648 -6.696 7.342 401 HB2 LYS 53 1HB LYS 53 0.943 -6.653 9.012 402 HB3 LYS 53 2HB LYS 53 1.039 -4.903 9.159 403 HG2 LYS 53 1HG LYS 53 -0.940 -5.425 7.953 404 HG3 LYS 53 2HG LYS 53 0.215 -4.735 6.810 405 HD2 LYS 53 1HD LYS 53 -0.484 -6.537 5.595 406 HD3 LYS 53 2HD LYS 53 0.848 -7.287 6.478 407 HE2 LYS 53 1HE LYS 53 -1.079 -8.730 6.570 408 HE3 LYS 53 2HE LYS 53 -0.773 -8.068 8.175 409 HZ1 LYS 53 3HZ LYS 53 -3.044 -7.698 6.434 410 HZ2 LYS 53 1HZ LYS 53 -2.477 -6.269 7.139 411 HZ3 LYS 53 2HZ LYS 53 -2.938 -7.569 8.117 412 H TYR 54 H TYR 54 2.442 -3.270 8.323 413 HA TYR 54 HA TYR 54 2.534 -2.513 5.492 414 HB2 TYR 54 1HB TYR 54 1.924 -0.778 7.893 415 HB3 TYR 54 2HB TYR 54 1.724 -0.338 6.200 416 HD1 TYR 54 2HD TYR 54 0.178 -2.067 4.847 417 HD2 TYR 54 1HD TYR 54 0.032 -1.403 9.047 418 HE1 TYR 54 2HE TYR 54 -2.130 -2.916 4.895 419 HE2 TYR 54 1HE TYR 54 -2.276 -2.251 9.107 420 HH TYR 54 HH TYR 54 -4.227 -2.406 7.305 421 H ASP 55 H ASP 55 4.434 -1.989 4.664 422 HA ASP 55 HA ASP 55 6.507 -0.899 6.448 423 HB2 ASP 55 1HB ASP 55 6.989 -2.114 3.730 424 HB3 ASP 55 2HB ASP 55 8.158 -1.824 5.015 425 H VAL 56 H VAL 56 6.073 1.271 6.344 426 HA VAL 56 HA VAL 56 5.512 2.632 3.896 427 HB VAL 56 HB VAL 56 6.413 3.815 6.525 428 HG11 VAL 56 1HG1 VAL 56 6.573 5.262 4.483 429 HG12 VAL 56 2HG1 VAL 56 4.823 5.104 4.315 430 HG13 VAL 56 3HG1 VAL 56 5.508 5.875 5.747 431 HG21 VAL 56 3HG2 VAL 56 3.855 4.277 6.653 432 HG22 VAL 56 1HG2 VAL 56 3.739 2.917 5.535 433 HG23 VAL 56 2HG2 VAL 56 4.479 2.695 7.120 434 H VAL 57 H VAL 57 7.024 2.728 2.356 435 HA VAL 57 HA VAL 57 9.803 3.297 3.139 436 HB VAL 57 HB VAL 57 8.758 2.193 0.528 437 HG11 VAL 57 1HG1 VAL 57 11.547 1.763 0.952 438 HG12 VAL 57 2HG1 VAL 57 10.746 2.641 -0.352 439 HG13 VAL 57 3HG1 VAL 57 11.196 3.481 1.132 440 HG21 VAL 57 3HG2 VAL 57 9.880 0.917 2.984 441 HG22 VAL 57 1HG2 VAL 57 8.518 0.419 1.981 442 HG23 VAL 57 2HG2 VAL 57 10.169 0.180 1.409 443 H CYS 58 H CYS 58 9.887 5.492 3.263 444 HA CYS 58 HA CYS 58 8.837 7.071 1.034 445 HB2 CYS 58 1HB CYS 58 8.199 7.883 3.210 446 HB3 CYS 58 2HB CYS 58 9.870 7.862 3.762 447 HG CYS 58 HG CYS 58 8.443 10.030 1.543 448 H GLU 59 H GLU 59 10.367 6.652 -0.559 449 HA GLU 59 HA GLU 59 13.171 7.175 -0.013 450 HB2 GLU 59 1HB GLU 59 11.701 6.273 -2.490 451 HB3 GLU 59 2HB GLU 59 13.429 6.593 -2.460 452 HG2 GLU 59 1HG GLU 59 12.019 4.564 -0.742 453 HG3 GLU 59 2HG GLU 59 12.888 4.207 -2.234 454 H GLY 60 H GLY 60 11.593 9.429 0.383 455 HA2 GLY 60 1HA GLY 60 12.081 11.687 -0.068 456 HA3 GLY 60 2HA GLY 60 12.760 11.208 -1.617 457 H THR 61 H THR 61 11.417 10.978 -3.405 458 HA THR 61 HA THR 61 8.789 12.254 -3.096 459 HB THR 61 HB THR 61 8.899 12.697 -5.517 460 HG1 THR 61 1HG THR 61 10.582 12.011 -6.719 461 HG21 THR 61 3HG2 THR 61 9.775 14.608 -4.758 462 HG22 THR 61 1HG2 THR 61 11.356 13.940 -5.159 463 HG23 THR 61 2HG2 THR 61 10.715 13.769 -3.525 464 H MET 62 H MET 62 9.226 9.455 -2.481 465 HA MET 62 HA MET 62 7.138 8.353 -4.155 466 HB2 MET 62 1HB MET 62 9.058 7.710 -5.457 467 HB3 MET 62 2HB MET 62 9.892 7.120 -4.026 468 HG2 MET 62 1HG MET 62 7.750 5.568 -3.882 469 HG3 MET 62 2HG MET 62 7.730 5.873 -5.617 470 HE1 MET 62 3HE MET 62 10.978 3.969 -3.109 471 HE2 MET 62 1HE MET 62 9.525 4.831 -2.602 472 HE3 MET 62 2HE MET 62 9.420 3.141 -3.093 473 H ALA 63 H ALA 63 5.731 7.603 -2.724 474 HA ALA 63 HA ALA 63 6.741 6.401 -0.235 475 HB1 ALA 63 3HB ALA 63 4.596 6.924 0.755 476 HB2 ALA 63 1HB ALA 63 5.294 8.375 0.034 477 HB3 ALA 63 2HB ALA 63 3.995 7.515 -0.794 478 H MET 64 H MET 64 6.843 4.254 -0.373 479 HA MET 64 HA MET 64 4.706 2.834 -1.814 480 HB2 MET 64 1HB MET 64 7.105 2.548 -2.577 481 HB3 MET 64 2HB MET 64 7.407 1.724 -1.054 482 HG2 MET 64 1HG MET 64 5.788 0.018 -1.618 483 HG3 MET 64 2HG MET 64 5.385 0.866 -3.110 484 HE1 MET 64 3HE MET 64 8.754 0.092 -1.278 485 HE2 MET 64 1HE MET 64 7.953 -1.480 -1.286 486 HE3 MET 64 2HE MET 64 9.404 -1.226 -2.256 487 H LEU 65 H LEU 65 3.343 1.586 -0.705 488 HA LEU 65 HA LEU 65 3.992 0.992 2.106 489 HB2 LEU 65 1HB LEU 65 2.077 2.474 1.822 490 HB3 LEU 65 2HB LEU 65 1.303 1.287 0.774 491 HG LEU 65 HG LEU 65 1.316 -0.274 2.779 492 HD11 LEU 65 1HD1 LEU 65 2.669 0.495 4.416 493 HD12 LEU 65 2HD1 LEU 65 1.204 1.340 4.913 494 HD13 LEU 65 3HD1 LEU 65 2.433 2.185 3.973 495 HD21 LEU 65 3HD2 LEU 65 -0.479 1.559 3.848 496 HD22 LEU 65 1HD2 LEU 65 -0.821 0.323 2.636 497 HD23 LEU 65 2HD2 LEU 65 -0.401 1.960 2.132 498 H VAL 66 H VAL 66 4.828 -1.016 2.109 499 HA VAL 66 HA VAL 66 3.816 -3.092 0.382 500 HB VAL 66 HB VAL 66 5.709 -3.508 2.684 501 HG11 VAL 66 1HG1 VAL 66 5.066 -5.561 1.755 502 HG12 VAL 66 2HG1 VAL 66 5.125 -4.934 0.107 503 HG13 VAL 66 3HG1 VAL 66 6.620 -5.203 1.004 504 HG21 VAL 66 3HG2 VAL 66 7.041 -1.974 1.724 505 HG22 VAL 66 1HG2 VAL 66 7.334 -3.226 0.516 506 HG23 VAL 66 2HG2 VAL 66 6.124 -1.978 0.217 507 H ILE 67 H ILE 67 2.085 -4.273 0.820 508 HA ILE 67 HA ILE 67 1.211 -4.533 3.614 509 HB ILE 67 HB ILE 67 -0.355 -4.995 1.072 510 HG12 ILE 67 1HG1 ILE 67 -0.999 -2.845 3.037 511 HG13 ILE 67 2HG1 ILE 67 0.366 -2.590 1.954 512 HG21 ILE 67 1HG2 ILE 67 -0.804 -6.013 3.627 513 HG22 ILE 67 2HG2 ILE 67 -1.910 -4.649 3.475 514 HG23 ILE 67 3HG2 ILE 67 -1.950 -5.953 2.288 515 HD11 ILE 67 3HD1 ILE 67 -2.195 -3.489 0.764 516 HD12 ILE 67 1HD1 ILE 67 -2.080 -1.824 1.336 517 HD13 ILE 67 2HD1 ILE 67 -0.953 -2.417 0.115 518 H ARG 68 H ARG 68 2.809 -6.207 3.992 519 HA ARG 68 HA ARG 68 3.163 -8.561 2.651 520 HB2 ARG 68 1HB ARG 68 3.280 -7.827 5.542 521 HB3 ARG 68 2HB ARG 68 3.392 -9.527 5.107 522 HG2 ARG 68 1HG ARG 68 5.141 -7.572 3.703 523 HG3 ARG 68 2HG ARG 68 5.537 -8.047 5.356 524 HD2 ARG 68 1HD ARG 68 4.892 -10.181 3.388 525 HD3 ARG 68 2HD ARG 68 6.458 -9.379 3.266 526 HE ARG 68 HE ARG 68 5.754 -11.352 5.131 527 HH11 ARG 68 2HH1 ARG 68 7.387 -8.281 4.976 528 HH12 ARG 68 1HH1 ARG 68 8.429 -8.620 6.318 529 HH21 ARG 68 2HH2 ARG 68 7.120 -11.810 6.899 530 HH22 ARG 68 1HH2 ARG 68 8.277 -10.628 7.411 531 H GLY 69 H GLY 69 2.149 -10.521 2.487 532 HA2 GLY 69 1HA GLY 69 0.238 -11.805 2.214 533 HA3 GLY 69 2HA GLY 69 0.248 -11.720 3.969 534 H ALA 70 H ALA 70 -1.012 -10.220 1.041 535 HA ALA 70 HA ALA 70 -2.941 -8.666 2.570 536 HB1 ALA 70 3HB ALA 70 -3.625 -7.794 0.354 537 HB2 ALA 70 1HB ALA 70 -1.912 -7.558 0.700 538 HB3 ALA 70 2HB ALA 70 -2.421 -8.844 -0.394 539 H SER 71 H SER 71 -4.481 -9.981 3.406 540 HA SER 71 HA SER 71 -5.679 -12.062 1.768 541 HB2 SER 71 1HB SER 71 -6.065 -11.240 4.650 542 HB3 SER 71 2HB SER 71 -7.024 -12.500 3.874 543 HG SER 71 HG SER 71 -4.208 -12.583 3.806 544 H LEU 72 H LEU 72 -8.129 -12.249 1.866 545 HA LEU 72 HA LEU 72 -9.364 -10.315 0.420 546 HB2 LEU 72 1HB LEU 72 -10.734 -11.953 2.546 547 HB3 LEU 72 2HB LEU 72 -11.488 -11.223 1.130 548 HG LEU 72 HG LEU 72 -9.332 -13.280 0.816 549 HD11 LEU 72 1HD1 LEU 72 -11.082 -15.001 0.707 550 HD12 LEU 72 2HD1 LEU 72 -12.265 -13.816 1.261 551 HD13 LEU 72 3HD1 LEU 72 -10.937 -14.297 2.317 552 HD21 LEU 72 3HD2 LEU 72 -11.618 -13.234 -0.992 553 HD22 LEU 72 1HD2 LEU 72 -9.891 -13.223 -1.346 554 HD23 LEU 72 2HD2 LEU 72 -10.721 -11.715 -0.959 555 H LYS 73 H LYS 73 -9.197 -10.486 3.950 556 HA LYS 73 HA LYS 73 -10.867 -8.311 4.525 557 HB2 LYS 73 1HB LYS 73 -8.629 -9.662 5.993 558 HB3 LYS 73 2HB LYS 73 -9.342 -8.192 6.644 559 HG2 LYS 73 1HG LYS 73 -11.480 -9.217 6.833 560 HG3 LYS 73 2HG LYS 73 -10.943 -10.636 5.930 561 HD2 LYS 73 1HD LYS 73 -9.497 -11.310 7.704 562 HD3 LYS 73 2HD LYS 73 -9.739 -9.784 8.559 563 HE2 LYS 73 1HE LYS 73 -12.210 -10.434 8.643 564 HE3 LYS 73 2HE LYS 73 -11.677 -12.048 8.173 565 HZ1 LYS 73 3HZ LYS 73 -10.664 -12.396 10.168 566 HZ2 LYS 73 1HZ LYS 73 -11.910 -11.372 10.678 567 HZ3 LYS 73 2HZ LYS 73 -10.352 -10.757 10.444 568 H ASP 74 H ASP 74 -7.319 -8.427 4.230 569 HA ASP 74 HA ASP 74 -6.610 -5.866 4.739 570 HB2 ASP 74 1HB ASP 74 -5.620 -7.685 2.544 571 HB3 ASP 74 2HB ASP 74 -4.859 -6.141 2.916 572 H ALA 75 H ALA 75 -8.190 -7.038 1.818 573 HA ALA 75 HA ALA 75 -7.954 -4.871 0.142 574 HB1 ALA 75 3HB ALA 75 -10.609 -6.205 0.328 575 HB2 ALA 75 1HB ALA 75 -9.656 -5.776 -1.093 576 HB3 ALA 75 2HB ALA 75 -9.201 -7.171 -0.114 577 H GLY 76 H GLY 76 -8.437 -2.793 0.368 578 HA2 GLY 76 1HA GLY 76 -10.959 -1.898 1.350 579 HA3 GLY 76 2HA GLY 76 -9.692 -1.636 2.539 580 H GLU 77 H GLU 77 -10.412 0.640 2.161 581 HA GLU 77 HA GLU 77 -9.366 1.809 -0.307 582 HB2 GLU 77 1HB GLU 77 -11.660 2.355 0.904 583 HB3 GLU 77 2HB GLU 77 -10.646 3.456 1.825 584 HG2 GLU 77 1HG GLU 77 -9.907 4.496 -0.279 585 HG3 GLU 77 2HG GLU 77 -10.997 3.430 -1.163 586 H TYR 78 H TYR 78 -7.565 3.019 -0.398 587 HA TYR 78 HA TYR 78 -6.165 3.558 2.138 588 HB2 TYR 78 1HB TYR 78 -5.018 2.927 -0.587 589 HB3 TYR 78 2HB TYR 78 -4.059 3.427 0.801 590 HD1 TYR 78 1HD TYR 78 -3.857 1.935 2.767 591 HD2 TYR 78 2HD TYR 78 -5.835 0.690 -0.788 592 HE1 TYR 78 1HE TYR 78 -3.690 -0.406 3.502 593 HE2 TYR 78 2HE TYR 78 -5.674 -1.655 -0.063 594 HH TYR 78 HH TYR 78 -3.680 -2.795 2.044 595 H THR 79 H THR 79 -6.679 5.642 2.546 596 HA THR 79 HA THR 79 -6.473 7.612 0.391 597 HB THR 79 HB THR 79 -7.527 7.905 3.211 598 HG1 THR 79 1HG THR 79 -8.690 7.376 0.712 599 HG21 THR 79 3HG2 THR 79 -7.015 10.078 2.825 600 HG22 THR 79 1HG2 THR 79 -8.500 10.034 1.877 601 HG23 THR 79 2HG2 THR 79 -6.938 9.862 1.077 602 H CYS 80 H CYS 80 -4.529 8.475 0.090 603 HA CYS 80 HA CYS 80 -2.648 8.673 2.302 604 HB2 CYS 80 1HB CYS 80 -2.471 8.777 -0.660 605 HB3 CYS 80 2HB CYS 80 -1.284 9.718 0.235 606 HG CYS 80 HG CYS 80 -0.237 7.558 1.625 607 H GLU 81 H GLU 81 -3.514 10.325 3.560 608 HA GLU 81 HA GLU 81 -4.118 12.895 2.399 609 HB2 GLU 81 1HB GLU 81 -5.107 11.693 4.549 610 HB3 GLU 81 2HB GLU 81 -3.782 12.536 5.340 611 HG2 GLU 81 1HG GLU 81 -4.672 14.638 4.200 612 HG3 GLU 81 2HG GLU 81 -6.124 13.694 3.874 613 H VAL 82 H VAL 82 -2.569 14.255 1.815 614 HA VAL 82 HA VAL 82 -0.048 14.276 3.335 615 HB VAL 82 HB VAL 82 -0.090 13.814 0.789 616 HG11 VAL 82 1HG1 VAL 82 -0.954 15.371 -0.534 617 HG12 VAL 82 2HG1 VAL 82 -1.296 16.391 0.865 618 HG13 VAL 82 3HG1 VAL 82 0.255 16.521 0.035 619 HG21 VAL 82 3HG2 VAL 82 1.794 14.845 2.498 620 HG22 VAL 82 1HG2 VAL 82 2.095 14.287 0.853 621 HG23 VAL 82 2HG2 VAL 82 1.808 15.999 1.164 622 H GLU 83 H GLU 83 1.047 16.609 2.872 623 HA GLU 83 HA GLU 83 0.224 18.419 4.599 624 HB2 GLU 83 1HB GLU 83 0.837 20.199 2.680 625 HB3 GLU 83 2HB GLU 83 2.046 19.253 3.537 626 HG2 GLU 83 1HG GLU 83 2.476 17.911 1.746 627 HG3 GLU 83 2HG GLU 83 0.859 18.104 1.071 628 H ALA 84 H ALA 84 -0.777 19.032 1.240 629 HA ALA 84 HA ALA 84 -3.378 19.949 2.284 630 HB1 ALA 84 3HB ALA 84 -1.937 21.776 1.434 631 HB2 ALA 84 1HB ALA 84 -1.949 21.004 -0.152 632 HB3 ALA 84 2HB ALA 84 -3.452 21.612 0.545 633 H SER 85 H SER 85 -1.682 18.225 -0.258 634 HA SER 85 HA SER 85 -4.095 17.620 -1.720 635 HB2 SER 85 1HB SER 85 -1.554 17.808 -2.531 636 HB3 SER 85 2HB SER 85 -1.593 16.077 -2.196 637 HG SER 85 HG SER 85 -2.218 16.420 -4.320 638 H LYS 86 H LYS 86 -4.299 15.164 -2.360 639 HA LYS 86 HA LYS 86 -3.654 13.176 -0.481 640 HB2 LYS 86 1HB LYS 86 -5.119 14.178 1.079 641 HB3 LYS 86 2HB LYS 86 -6.333 14.508 -0.150 642 HG2 LYS 86 1HG LYS 86 -6.397 11.902 -0.359 643 HG3 LYS 86 2HG LYS 86 -5.707 11.964 1.264 644 HD2 LYS 86 1HD LYS 86 -7.916 11.974 1.819 645 HD3 LYS 86 2HD LYS 86 -7.680 13.712 1.613 646 HE2 LYS 86 1HE LYS 86 -8.311 13.170 -0.880 647 HE3 LYS 86 2HE LYS 86 -9.070 11.753 -0.155 648 HZ1 LYS 86 3HZ LYS 86 -10.758 13.299 -0.133 649 HZ2 LYS 86 1HZ LYS 86 -9.731 14.598 0.211 650 HZ3 LYS 86 2HZ LYS 86 -10.119 13.484 1.422 651 H SER 87 H SER 87 -4.348 11.125 -1.122 652 HA SER 87 HA SER 87 -5.851 11.048 -3.656 653 HB2 SER 87 1HB SER 87 -3.403 10.579 -3.923 654 HB3 SER 87 2HB SER 87 -3.605 9.178 -2.870 655 HG SER 87 HG SER 87 -4.529 9.599 -5.480 656 H THR 88 H THR 88 -6.583 8.670 -4.089 657 HA THR 88 HA THR 88 -7.293 7.183 -1.712 658 HB THR 88 HB THR 88 -9.484 8.383 -3.416 659 HG1 THR 88 1HG THR 88 -8.900 9.984 -2.055 660 HG21 THR 88 3HG2 THR 88 -11.031 7.280 -1.997 661 HG22 THR 88 1HG2 THR 88 -9.764 6.801 -0.868 662 HG23 THR 88 2HG2 THR 88 -9.847 6.061 -2.467 663 H ALA 89 H ALA 89 -7.453 5.066 -2.151 664 HA ALA 89 HA ALA 89 -8.110 4.194 -4.863 665 HB1 ALA 89 3HB ALA 89 -5.628 3.270 -3.422 666 HB2 ALA 89 1HB ALA 89 -6.197 2.709 -4.994 667 HB3 ALA 89 2HB ALA 89 -5.662 4.378 -4.794 668 H SER 90 H SER 90 -8.271 1.724 -4.921 669 HA SER 90 HA SER 90 -9.227 0.666 -2.351 670 HB2 SER 90 1HB SER 90 -10.705 0.555 -4.990 671 HB3 SER 90 2HB SER 90 -11.154 -0.378 -3.562 672 HG SER 90 HG SER 90 -10.944 2.451 -3.609 673 H LEU 91 H LEU 91 -8.298 -1.208 -1.893 674 HA LEU 91 HA LEU 91 -6.816 -2.631 -3.935 675 HB2 LEU 91 1HB LEU 91 -5.665 -2.433 -1.904 676 HB3 LEU 91 2HB LEU 91 -7.080 -2.891 -0.959 677 HG LEU 91 HG LEU 91 -6.854 -5.202 -1.798 678 HD11 LEU 91 1HD1 LEU 91 -4.110 -4.738 -2.757 679 HD12 LEU 91 2HD1 LEU 91 -5.398 -4.163 -3.814 680 HD13 LEU 91 3HD1 LEU 91 -5.345 -5.858 -3.333 681 HD21 LEU 91 3HD2 LEU 91 -4.907 -3.803 -0.113 682 HD22 LEU 91 1HD2 LEU 91 -4.356 -5.361 -0.728 683 HD23 LEU 91 2HD2 LEU 91 -5.849 -5.260 0.206 684 H HIS 92 H HIS 92 -7.154 -4.765 -4.561 685 HA HIS 92 HA HIS 92 -9.723 -5.958 -3.760 686 HB2 HIS 92 1HB HIS 92 -8.595 -5.989 -6.566 687 HB3 HIS 92 2HB HIS 92 -10.141 -6.651 -6.044 688 HD1 HIS 92 1HD HIS 92 -12.053 -4.957 -5.560 689 HD2 HIS 92 2HD HIS 92 -8.555 -3.238 -7.001 690 HE1 HIS 92 1HE HIS 92 -12.680 -2.615 -6.227 691 HE2 HIS 92 2HE HIS 92 -10.568 -1.623 -7.175 692 H VAL 93 H VAL 93 -9.664 -8.067 -3.247 693 HA VAL 93 HA VAL 93 -7.299 -9.636 -4.011 694 HB VAL 93 HB VAL 93 -8.499 -9.587 -1.238 695 HG11 VAL 93 1HG1 VAL 93 -5.921 -10.917 -1.739 696 HG12 VAL 93 2HG1 VAL 93 -7.263 -11.392 -0.696 697 HG13 VAL 93 3HG1 VAL 93 -7.334 -11.714 -2.429 698 HG21 VAL 93 3HG2 VAL 93 -7.049 -7.614 -1.992 699 HG22 VAL 93 1HG2 VAL 93 -6.599 -8.436 -0.498 700 HG23 VAL 93 2HG2 VAL 93 -5.710 -8.762 -1.986 701 H GLU 94 H GLU 94 -7.935 -11.380 -5.078 702 HA GLU 94 HA GLU 94 -10.386 -12.754 -4.212 703 HB2 GLU 94 1HB GLU 94 -9.570 -12.072 -7.036 704 HB3 GLU 94 2HB GLU 94 -10.789 -13.280 -6.656 705 HG2 GLU 94 1HG GLU 94 -12.129 -11.574 -5.531 706 HG3 GLU 94 2HG GLU 94 -10.910 -10.363 -5.925 707 H GLU 95 H GLU 95 -10.202 -14.904 -3.986 708 HA GLU 95 HA GLU 95 -7.628 -16.116 -4.215 709 HB2 GLU 95 1HB GLU 95 -9.621 -16.608 -2.568 710 HB3 GLU 95 2HB GLU 95 -10.122 -17.722 -3.832 711 HG2 GLU 95 1HG GLU 95 -7.996 -18.883 -3.684 712 HG3 GLU 95 2HG GLU 95 -7.446 -17.744 -2.456 713 H LYS 96 H LYS 96 -7.279 -18.201 -5.354 714 HA LYS 96 HA LYS 96 -8.045 -17.925 -8.118 715 HB2 LYS 96 1HB LYS 96 -6.183 -19.709 -6.595 716 HB3 LYS 96 2HB LYS 96 -6.652 -20.143 -8.233 717 HG2 LYS 96 1HG LYS 96 -5.911 -17.753 -8.843 718 HG3 LYS 96 2HG LYS 96 -5.078 -17.783 -7.288 719 HD2 LYS 96 1HD LYS 96 -3.471 -18.504 -8.836 720 HD3 LYS 96 2HD LYS 96 -4.055 -19.988 -8.079 721 HE2 LYS 96 1HE LYS 96 -5.242 -20.631 -9.959 722 HE3 LYS 96 2HE LYS 96 -5.335 -18.987 -10.588 723 HZ1 LYS 96 3HZ LYS 96 -3.230 -20.966 -10.877 724 HZ2 LYS 96 1HZ LYS 96 -2.707 -19.377 -10.622 725 HZ3 LYS 96 2HZ LYS 96 -3.714 -19.736 -11.933 726 H ALA 97 H ALA 97 -9.874 -18.717 -8.902 727 HA ALA 97 HA ALA 97 -11.459 -20.628 -7.496 728 HB1 ALA 97 3HB ALA 97 -11.921 -18.746 -9.474 729 HB2 ALA 97 1HB ALA 97 -12.193 -20.292 -10.279 730 HB3 ALA 97 2HB ALA 97 -13.092 -19.887 -8.816 731 H SER 98 H SER 98 -10.194 -22.494 -7.292 732 HA SER 98 HA SER 98 -10.216 -24.196 -9.653 733 HB2 SER 98 1HB SER 98 -7.920 -22.941 -9.297 734 HB3 SER 98 2HB SER 98 -7.678 -24.181 -8.067 735 HG SER 98 HG SER 98 -6.970 -25.234 -9.773 736 H GLY 99 H GLY 99 -11.033 -26.104 -9.108 737 HA2 GLY 99 1HA GLY 99 -10.930 -26.899 -6.271 738 HA3 GLY 99 2HA GLY 99 -12.173 -27.393 -7.410 739 HA PRO 100 HA PRO 100 -8.626 -30.546 -7.027 740 HB2 PRO 100 1HB PRO 100 -9.909 -32.402 -5.518 741 HB3 PRO 100 2HB PRO 100 -8.936 -31.102 -4.820 742 HG2 PRO 100 1HG PRO 100 -11.907 -31.279 -5.146 743 HG3 PRO 100 2HG PRO 100 -10.966 -30.705 -3.757 744 HD2 PRO 100 1HD PRO 100 -12.122 -29.018 -5.531 745 HD3 PRO 100 2HD PRO 100 -10.601 -28.634 -4.700 746 H SER 101 H SER 101 -9.101 -30.815 -9.263 747 HA SER 101 HA SER 101 -11.421 -32.177 -10.183 748 HB2 SER 101 1HB SER 101 -10.248 -32.279 -12.344 749 HB3 SER 101 2HB SER 101 -10.137 -30.668 -11.637 750 HG SER 101 HG SER 101 -8.083 -30.995 -12.066 751 H SER 102 H SER 102 -11.869 -34.260 -10.004 752 HA SER 102 HA SER 102 -9.646 -36.190 -9.977 753 HB2 SER 102 1HB SER 102 -10.677 -37.465 -8.243 754 HB3 SER 102 2HB SER 102 -10.684 -35.789 -7.693 755 HG SER 102 HG SER 102 -12.898 -35.831 -8.777 756 H GLY 103 H GLY 103 -9.911 -38.009 -11.181 757 HA2 GLY 103 1HA GLY 103 -12.495 -38.856 -12.124 758 HA3 GLY 103 2HA GLY 103 -11.526 -38.090 -13.375 Start of MODEL 19 1 H1 GLY 1 H GLY 1 13.159 31.202 2.912 2 HA2 GLY 1 1HA GLY 1 15.556 29.769 2.055 3 HA3 GLY 1 2HA GLY 1 14.012 28.997 1.727 4 H SER 2 H SER 2 16.229 31.460 0.799 5 HA SER 2 HA SER 2 14.381 32.440 -1.263 6 HB2 SER 2 1HB SER 2 16.990 33.580 -0.237 7 HB3 SER 2 2HB SER 2 16.053 34.275 -1.559 8 HG SER 2 HG SER 2 14.271 34.256 0.089 9 H SER 3 H SER 3 17.700 31.250 -0.839 10 HA SER 3 HA SER 3 17.923 30.854 -3.730 11 HB2 SER 3 1HB SER 3 20.029 30.519 -1.580 12 HB3 SER 3 2HB SER 3 20.300 30.479 -3.322 13 HG SER 3 HG SER 3 20.677 32.541 -2.093 14 H GLY 4 H GLY 4 16.466 29.078 -3.866 15 HA2 GLY 4 1HA GLY 4 17.564 26.575 -3.990 16 HA3 GLY 4 2HA GLY 4 16.920 26.679 -2.358 17 H SER 5 H SER 5 15.934 24.759 -3.966 18 HA SER 5 HA SER 5 13.790 25.364 -5.619 19 HB2 SER 5 1HB SER 5 12.962 23.079 -5.081 20 HB3 SER 5 2HB SER 5 14.682 23.108 -5.469 21 HG SER 5 HG SER 5 14.746 23.412 -2.969 22 H SER 6 H SER 6 11.451 24.901 -5.130 23 HA SER 6 HA SER 6 10.559 25.410 -2.433 24 HB2 SER 6 1HB SER 6 11.100 27.688 -3.338 25 HB3 SER 6 2HB SER 6 9.876 27.429 -4.581 26 HG SER 6 HG SER 6 9.234 27.120 -1.858 27 H GLY 7 H GLY 7 8.065 25.684 -2.453 28 HA2 GLY 7 1HA GLY 7 6.019 25.198 -3.683 29 HA3 GLY 7 2HA GLY 7 6.928 24.005 -4.598 30 HA PRO 8 HA PRO 8 4.845 22.270 -0.635 31 HB2 PRO 8 1HB PRO 8 2.495 21.389 -1.670 32 HB3 PRO 8 2HB PRO 8 2.688 22.994 -0.955 33 HG2 PRO 8 1HG PRO 8 2.706 22.189 -3.839 34 HG3 PRO 8 2HG PRO 8 1.921 23.582 -3.071 35 HD2 PRO 8 1HD PRO 8 4.272 23.785 -4.400 36 HD3 PRO 8 2HD PRO 8 3.874 24.805 -3.003 37 H ALA 9 H ALA 9 4.015 19.946 -0.437 38 HA ALA 9 HA ALA 9 5.540 18.281 -2.313 39 HB1 ALA 9 3HB ALA 9 5.286 16.542 -0.481 40 HB2 ALA 9 1HB ALA 9 6.303 17.935 -0.115 41 HB3 ALA 9 2HB ALA 9 4.663 17.847 0.528 42 H ALA 10 H ALA 10 2.648 19.370 -2.454 43 HA ALA 10 HA ALA 10 0.663 17.589 -2.194 44 HB1 ALA 10 3HB ALA 10 -0.172 19.388 -3.257 45 HB2 ALA 10 1HB ALA 10 1.282 19.620 -4.229 46 HB3 ALA 10 2HB ALA 10 0.087 18.412 -4.703 47 H ILE 11 H ILE 11 -0.307 15.953 -3.536 48 HA ILE 11 HA ILE 11 1.709 14.228 -4.752 49 HB ILE 11 HB ILE 11 -1.188 13.611 -4.164 50 HG12 ILE 11 1HG1 ILE 11 1.069 12.521 -2.542 51 HG13 ILE 11 2HG1 ILE 11 0.546 14.173 -2.234 52 HG21 ILE 11 1HG2 ILE 11 0.780 12.240 -5.665 53 HG22 ILE 11 2HG2 ILE 11 0.513 11.331 -4.178 54 HG23 ILE 11 3HG2 ILE 11 -0.845 11.702 -5.240 55 HD11 ILE 11 3HD1 ILE 11 -1.443 11.948 -2.305 56 HD12 ILE 11 1HD1 ILE 11 -0.472 12.245 -0.863 57 HD13 ILE 11 2HD1 ILE 11 -1.535 13.507 -1.487 58 H ILE 12 H ILE 12 1.998 14.207 -6.872 59 HA ILE 12 HA ILE 12 -0.069 15.311 -8.618 60 HB ILE 12 HB ILE 12 1.876 14.860 -10.352 61 HG12 ILE 12 1HG1 ILE 12 3.143 13.757 -8.313 62 HG13 ILE 12 2HG1 ILE 12 4.018 14.698 -9.516 63 HG21 ILE 12 1HG2 ILE 12 0.996 17.043 -9.894 64 HG22 ILE 12 2HG2 ILE 12 1.821 17.099 -8.337 65 HG23 ILE 12 3HG2 ILE 12 2.756 17.127 -9.832 66 HD11 ILE 12 3HD1 ILE 12 3.026 15.800 -6.901 67 HD12 ILE 12 1HD1 ILE 12 4.657 15.190 -7.175 68 HD13 ILE 12 2HD1 ILE 12 4.081 16.598 -8.067 69 H LYS 13 H LYS 13 1.707 12.336 -8.020 70 HA LYS 13 HA LYS 13 0.103 10.984 -10.083 71 HB2 LYS 13 1HB LYS 13 2.651 10.083 -8.725 72 HB3 LYS 13 2HB LYS 13 1.784 9.184 -9.963 73 HG2 LYS 13 1HG LYS 13 2.150 11.130 -11.500 74 HG3 LYS 13 2HG LYS 13 3.213 11.812 -10.266 75 HD2 LYS 13 1HD LYS 13 4.689 9.923 -10.414 76 HD3 LYS 13 2HD LYS 13 3.574 9.078 -11.489 77 HE2 LYS 13 1HE LYS 13 4.674 11.758 -12.243 78 HE3 LYS 13 2HE LYS 13 5.634 10.300 -12.488 79 HZ1 LYS 13 3HZ LYS 13 3.363 11.262 -13.959 80 HZ2 LYS 13 1HZ LYS 13 3.222 9.634 -13.523 81 HZ3 LYS 13 2HZ LYS 13 4.558 10.157 -14.418 82 HA PRO 14 HA PRO 14 -2.015 9.550 -6.323 83 HB2 PRO 14 1HB PRO 14 -4.312 8.904 -7.618 84 HB3 PRO 14 2HB PRO 14 -3.931 10.551 -7.102 85 HG2 PRO 14 1HG PRO 14 -3.642 9.299 -9.806 86 HG3 PRO 14 2HG PRO 14 -4.259 10.905 -9.377 87 HD2 PRO 14 1HD PRO 14 -1.744 10.510 -10.299 88 HD3 PRO 14 2HD PRO 14 -2.145 11.792 -9.138 89 H LEU 15 H LEU 15 -2.783 7.469 -5.677 90 HA LEU 15 HA LEU 15 -1.346 5.309 -6.803 91 HB2 LEU 15 1HB LEU 15 -3.714 5.047 -4.972 92 HB3 LEU 15 2HB LEU 15 -2.338 3.959 -5.136 93 HG LEU 15 HG LEU 15 -1.950 6.754 -4.130 94 HD11 LEU 15 1HD1 LEU 15 -3.310 6.304 -2.414 95 HD12 LEU 15 2HD1 LEU 15 -2.029 5.222 -1.868 96 HD13 LEU 15 3HD1 LEU 15 -3.385 4.585 -2.799 97 HD21 LEU 15 3HD2 LEU 15 0.096 6.031 -3.479 98 HD22 LEU 15 1HD2 LEU 15 -0.165 4.875 -4.786 99 HD23 LEU 15 2HD2 LEU 15 -0.472 4.400 -3.115 100 H GLU 16 H GLU 16 -2.788 3.133 -7.040 101 HA GLU 16 HA GLU 16 -5.082 3.647 -8.769 102 HB2 GLU 16 1HB GLU 16 -2.690 2.026 -9.659 103 HB3 GLU 16 2HB GLU 16 -4.197 2.199 -10.547 104 HG2 GLU 16 1HG GLU 16 -2.952 3.757 -11.622 105 HG3 GLU 16 2HG GLU 16 -3.620 4.763 -10.338 106 H ASP 17 H ASP 17 -6.499 1.899 -8.979 107 HA ASP 17 HA ASP 17 -6.755 0.217 -6.776 108 HB2 ASP 17 1HB ASP 17 -7.955 0.137 -9.537 109 HB3 ASP 17 2HB ASP 17 -8.349 -1.082 -8.328 110 H GLN 18 H GLN 18 -5.641 -1.510 -6.181 111 HA GLN 18 HA GLN 18 -4.099 -2.970 -8.205 112 HB2 GLN 18 1HB GLN 18 -3.762 -2.462 -5.294 113 HB3 GLN 18 2HB GLN 18 -3.159 -3.990 -5.923 114 HG2 GLN 18 1HG GLN 18 -1.526 -2.054 -5.804 115 HG3 GLN 18 2HG GLN 18 -1.618 -2.940 -7.326 116 HE21 GLN 18 1HE2 GLN 18 -1.198 0.006 -6.193 117 HE22 GLN 18 2HE2 GLN 18 -1.976 0.952 -7.412 118 H TRP 19 H TRP 19 -4.404 -5.100 -8.606 119 HA TRP 19 HA TRP 19 -6.527 -6.456 -7.074 120 HB2 TRP 19 1HB TRP 19 -5.930 -6.533 -10.032 121 HB3 TRP 19 2HB TRP 19 -6.950 -7.729 -9.237 122 HD1 TRP 19 HD TRP 19 -9.352 -6.912 -8.367 123 HE1 TRP 19 1HE TRP 19 -10.805 -4.885 -9.003 124 HE3 TRP 19 3HE TRP 19 -5.809 -4.084 -10.729 125 HZ2 TRP 19 2HZ TRP 19 -10.491 -2.414 -10.332 126 HZ3 TRP 19 3HZ TRP 19 -6.467 -1.901 -11.656 127 HH2 TRP 19 HH TRP 19 -8.760 -1.086 -11.461 128 H VAL 20 H VAL 20 -5.462 -7.810 -5.755 129 HA VAL 20 HA VAL 20 -3.542 -9.672 -6.990 130 HB VAL 20 HB VAL 20 -2.230 -9.711 -4.948 131 HG11 VAL 20 1HG1 VAL 20 -1.804 -7.026 -4.970 132 HG12 VAL 20 2HG1 VAL 20 -1.150 -8.157 -6.157 133 HG13 VAL 20 3HG1 VAL 20 -2.629 -7.262 -6.510 134 HG21 VAL 20 3HG2 VAL 20 -2.997 -8.993 -2.987 135 HG22 VAL 20 1HG2 VAL 20 -3.294 -7.381 -3.638 136 HG23 VAL 20 2HG2 VAL 20 -4.531 -8.631 -3.777 137 H ALA 21 H ALA 21 -3.121 -11.484 -5.140 138 HA ALA 21 HA ALA 21 -5.797 -12.562 -4.573 139 HB1 ALA 21 3HB ALA 21 -4.181 -14.688 -4.239 140 HB2 ALA 21 1HB ALA 21 -4.898 -14.237 -5.786 141 HB3 ALA 21 2HB ALA 21 -3.240 -13.765 -5.411 142 HA PRO 22 HA PRO 22 -5.239 -12.518 -0.222 143 HB2 PRO 22 1HB PRO 22 -6.263 -14.914 0.540 144 HB3 PRO 22 2HB PRO 22 -7.268 -13.580 -0.039 145 HG2 PRO 22 1HG PRO 22 -6.287 -15.991 -1.516 146 HG3 PRO 22 2HG PRO 22 -7.893 -15.240 -1.542 147 HD2 PRO 22 1HD PRO 22 -6.064 -14.837 -3.498 148 HD3 PRO 22 2HD PRO 22 -7.238 -13.595 -3.018 149 H GLY 23 H GLY 23 -2.901 -12.552 -0.277 150 HA2 GLY 23 1HA GLY 23 -1.538 -14.052 1.394 151 HA3 GLY 23 2HA GLY 23 -1.642 -15.176 0.046 152 H GLU 24 H GLU 24 -1.577 -12.466 -1.586 153 HA GLU 24 HA GLU 24 1.313 -12.564 -1.940 154 HB2 GLU 24 1HB GLU 24 -0.662 -10.960 -3.559 155 HB3 GLU 24 2HB GLU 24 0.963 -11.448 -4.017 156 HG2 GLU 24 1HG GLU 24 -0.063 -13.863 -3.666 157 HG3 GLU 24 2HG GLU 24 -1.558 -13.001 -4.023 158 H ASP 25 H ASP 25 2.372 -10.388 -2.470 159 HA ASP 25 HA ASP 25 1.784 -8.582 -0.251 160 HB2 ASP 25 1HB ASP 25 4.004 -7.612 -0.741 161 HB3 ASP 25 2HB ASP 25 4.088 -9.349 -0.458 162 H VAL 26 H VAL 26 1.355 -6.409 -0.492 163 HA VAL 26 HA VAL 26 0.686 -5.546 -3.230 164 HB VAL 26 HB VAL 26 -0.617 -4.874 -0.599 165 HG11 VAL 26 1HG1 VAL 26 -2.073 -3.529 -2.476 166 HG12 VAL 26 2HG1 VAL 26 -0.884 -2.796 -1.398 167 HG13 VAL 26 3HG1 VAL 26 -0.422 -3.264 -3.035 168 HG21 VAL 26 3HG2 VAL 26 -2.135 -5.634 -3.025 169 HG22 VAL 26 1HG2 VAL 26 -1.168 -6.893 -2.257 170 HG23 VAL 26 2HG2 VAL 26 -2.414 -6.052 -1.334 171 H GLU 27 H GLU 27 1.514 -3.678 -3.992 172 HA GLU 27 HA GLU 27 3.001 -1.962 -2.120 173 HB2 GLU 27 1HB GLU 27 3.912 -2.795 -4.881 174 HB3 GLU 27 2HB GLU 27 4.742 -1.655 -3.832 175 HG2 GLU 27 1HG GLU 27 5.195 -3.385 -2.224 176 HG3 GLU 27 2HG GLU 27 4.241 -4.542 -3.151 177 H LEU 28 H LEU 28 2.259 0.045 -2.153 178 HA LEU 28 HA LEU 28 0.997 1.040 -4.623 179 HB2 LEU 28 1HB LEU 28 0.424 1.954 -1.812 180 HB3 LEU 28 2HB LEU 28 -0.440 2.411 -3.278 181 HG LEU 28 HG LEU 28 -0.390 -0.461 -2.483 182 HD11 LEU 28 1HD1 LEU 28 -2.071 -0.259 -0.889 183 HD12 LEU 28 2HD1 LEU 28 -2.439 1.404 -1.344 184 HD13 LEU 28 3HD1 LEU 28 -0.951 1.038 -0.471 185 HD21 LEU 28 3HD2 LEU 28 -1.765 -0.528 -4.224 186 HD22 LEU 28 1HD2 LEU 28 -1.766 1.231 -4.351 187 HD23 LEU 28 2HD2 LEU 28 -2.923 0.423 -3.293 188 H ARG 29 H ARG 29 2.611 2.157 -5.585 189 HA ARG 29 HA ARG 29 4.255 3.972 -3.997 190 HB2 ARG 29 1HB ARG 29 4.424 2.848 -6.765 191 HB3 ARG 29 2HB ARG 29 5.289 4.332 -6.385 192 HG2 ARG 29 1HG ARG 29 6.369 3.104 -4.486 193 HG3 ARG 29 2HG ARG 29 5.642 1.627 -5.123 194 HD2 ARG 29 1HD ARG 29 7.363 3.430 -6.803 195 HD3 ARG 29 2HD ARG 29 8.039 2.134 -5.816 196 HE ARG 29 HE ARG 29 5.927 1.293 -7.584 197 HH11 ARG 29 2HH1 ARG 29 9.349 1.831 -7.236 198 HH12 ARG 29 1HH1 ARG 29 9.783 0.734 -8.504 199 HH21 ARG 29 2HH2 ARG 29 6.486 -0.155 -9.256 200 HH22 ARG 29 1HH2 ARG 29 8.154 -0.395 -9.653 201 H CYS 30 H CYS 30 4.460 6.195 -4.483 202 HA CYS 30 HA CYS 30 2.438 7.361 -6.245 203 HB2 CYS 30 1HB CYS 30 1.424 8.675 -4.635 204 HB3 CYS 30 2HB CYS 30 1.726 7.199 -3.727 205 HG CYS 30 HG CYS 30 4.359 9.088 -3.398 206 H GLU 31 H GLU 31 2.784 9.969 -5.905 207 HA GLU 31 HA GLU 31 5.669 10.495 -5.994 208 HB2 GLU 31 1HB GLU 31 4.704 10.135 -8.314 209 HB3 GLU 31 2HB GLU 31 3.762 11.597 -8.056 210 HG2 GLU 31 1HG GLU 31 5.537 12.495 -9.136 211 HG3 GLU 31 2HG GLU 31 6.138 12.597 -7.482 212 H LEU 32 H LEU 32 6.273 12.642 -5.530 213 HA LEU 32 HA LEU 32 4.131 14.398 -4.552 214 HB2 LEU 32 1HB LEU 32 6.713 14.182 -3.063 215 HB3 LEU 32 2HB LEU 32 5.154 14.788 -2.508 216 HG LEU 32 HG LEU 32 5.499 11.884 -3.147 217 HD11 LEU 32 1HD1 LEU 32 7.204 13.051 -1.403 218 HD12 LEU 32 2HD1 LEU 32 6.625 11.391 -1.267 219 HD13 LEU 32 3HD1 LEU 32 5.848 12.674 -0.339 220 HD21 LEU 32 3HD2 LEU 32 3.483 11.671 -2.211 221 HD22 LEU 32 1HD2 LEU 32 3.359 13.423 -2.372 222 HD23 LEU 32 2HD2 LEU 32 3.907 12.714 -0.853 223 H SER 33 H SER 33 4.493 16.587 -4.772 224 HA SER 33 HA SER 33 6.098 17.450 -6.878 225 HB2 SER 33 1HB SER 33 4.220 18.786 -6.238 226 HB3 SER 33 2HB SER 33 4.836 18.979 -4.597 227 HG SER 33 HG SER 33 6.635 20.118 -5.572 228 H ARG 34 H ARG 34 6.758 17.247 -3.443 229 HA ARG 34 HA ARG 34 9.577 17.789 -3.994 230 HB2 ARG 34 1HB ARG 34 9.829 19.431 -2.335 231 HB3 ARG 34 2HB ARG 34 8.358 19.893 -3.182 232 HG2 ARG 34 1HG ARG 34 6.997 19.309 -1.417 233 HG3 ARG 34 2HG ARG 34 8.183 18.193 -0.737 234 HD2 ARG 34 1HD ARG 34 8.840 21.097 -0.884 235 HD3 ARG 34 2HD ARG 34 7.735 20.534 0.369 236 HE ARG 34 HE ARG 34 9.852 18.847 0.572 237 HH11 ARG 34 2HH1 ARG 34 9.504 22.311 0.581 238 HH12 ARG 34 1HH1 ARG 34 10.872 22.576 1.611 239 HH21 ARG 34 2HH2 ARG 34 11.655 19.184 1.929 240 HH22 ARG 34 1HH2 ARG 34 12.095 20.797 2.377 241 H ALA 35 H ALA 35 11.013 16.781 -2.587 242 HA ALA 35 HA ALA 35 10.031 14.423 -1.315 243 HB1 ALA 35 3HB ALA 35 12.572 14.490 -0.491 244 HB2 ALA 35 1HB ALA 35 12.103 13.982 -2.114 245 HB3 ALA 35 2HB ALA 35 12.682 15.625 -1.836 246 H GLY 36 H GLY 36 11.325 14.007 0.962 247 HA2 GLY 36 1HA GLY 36 11.283 14.408 3.222 248 HA3 GLY 36 2HA GLY 36 11.428 16.113 2.820 249 H THR 37 H THR 37 8.804 13.883 1.999 250 HA THR 37 HA THR 37 7.041 15.264 3.885 251 HB THR 37 HB THR 37 6.434 14.968 0.937 252 HG1 THR 37 1HG THR 37 7.069 17.154 2.618 253 HG21 THR 37 3HG2 THR 37 4.477 16.547 2.065 254 HG22 THR 37 1HG2 THR 37 4.708 15.278 3.267 255 HG23 THR 37 2HG2 THR 37 4.297 14.855 1.605 256 HA PRO 38 HA PRO 38 6.172 10.855 4.313 257 HB2 PRO 38 1HB PRO 38 4.920 11.114 6.708 258 HB3 PRO 38 2HB PRO 38 6.679 11.082 6.542 259 HG2 PRO 38 1HG PRO 38 4.848 13.430 6.854 260 HG3 PRO 38 2HG PRO 38 6.411 13.119 7.632 261 HD2 PRO 38 1HD PRO 38 6.145 14.776 5.507 262 HD3 PRO 38 2HD PRO 38 7.608 13.810 5.787 263 H VAL 39 H VAL 39 4.338 9.646 3.982 264 HA VAL 39 HA VAL 39 1.903 11.164 3.359 265 HB VAL 39 HB VAL 39 2.999 9.662 1.616 266 HG11 VAL 39 1HG1 VAL 39 2.384 7.265 1.763 267 HG12 VAL 39 2HG1 VAL 39 3.537 7.766 3.002 268 HG13 VAL 39 3HG1 VAL 39 1.837 7.541 3.416 269 HG21 VAL 39 3HG2 VAL 39 0.947 9.188 0.619 270 HG22 VAL 39 1HG2 VAL 39 0.164 8.858 2.164 271 HG23 VAL 39 2HG2 VAL 39 0.569 10.515 1.717 272 H HIS 40 H HIS 40 -0.163 10.323 3.973 273 HA HIS 40 HA HIS 40 -0.049 8.714 6.438 274 HB2 HIS 40 1HB HIS 40 -0.893 11.179 6.445 275 HB3 HIS 40 2HB HIS 40 -2.356 10.502 5.735 276 HD1 HIS 40 1HD HIS 40 -4.049 10.315 7.517 277 HD2 HIS 40 2HD HIS 40 -0.264 9.274 8.878 278 HE1 HIS 40 1HE HIS 40 -4.368 9.592 9.904 279 HE2 HIS 40 2HE HIS 40 -2.053 9.048 10.732 280 H TRP 41 H TRP 41 -0.510 6.669 5.895 281 HA TRP 41 HA TRP 41 -2.460 6.074 3.835 282 HB2 TRP 41 1HB TRP 41 -0.835 4.233 5.603 283 HB3 TRP 41 2HB TRP 41 -1.842 3.721 4.252 284 HD1 TRP 41 HD TRP 41 1.504 5.374 5.037 285 HE1 TRP 41 1HE TRP 41 2.916 5.453 2.887 286 HE3 TRP 41 3HE TRP 41 -2.035 3.833 1.686 287 HZ2 TRP 41 2HZ TRP 41 2.574 4.931 0.134 288 HZ3 TRP 41 3HZ TRP 41 -1.412 3.649 -0.687 289 HH2 TRP 41 HH TRP 41 0.846 4.188 -1.445 290 H LEU 42 H LEU 42 -4.555 6.018 4.278 291 HA LEU 42 HA LEU 42 -5.403 5.105 6.949 292 HB2 LEU 42 1HB LEU 42 -6.851 7.011 5.118 293 HB3 LEU 42 2HB LEU 42 -7.358 6.521 6.733 294 HG LEU 42 HG LEU 42 -4.721 7.870 6.426 295 HD11 LEU 42 1HD1 LEU 42 -5.960 9.370 5.126 296 HD12 LEU 42 2HD1 LEU 42 -5.994 10.057 6.749 297 HD13 LEU 42 3HD1 LEU 42 -7.399 9.191 6.129 298 HD21 LEU 42 3HD2 LEU 42 -6.148 8.900 8.564 299 HD22 LEU 42 1HD2 LEU 42 -4.905 7.650 8.633 300 HD23 LEU 42 2HD2 LEU 42 -6.606 7.197 8.521 301 H LYS 43 H LYS 43 -6.392 3.208 6.934 302 HA LYS 43 HA LYS 43 -7.595 2.240 4.444 303 HB2 LYS 43 1HB LYS 43 -5.886 0.857 5.677 304 HB3 LYS 43 2HB LYS 43 -7.058 0.684 6.977 305 HG2 LYS 43 1HG LYS 43 -8.625 -0.333 5.318 306 HG3 LYS 43 2HG LYS 43 -7.301 -0.318 4.151 307 HD2 LYS 43 1HD LYS 43 -6.112 -1.937 5.278 308 HD3 LYS 43 2HD LYS 43 -6.864 -1.559 6.830 309 HE2 LYS 43 1HE LYS 43 -8.536 -2.657 4.614 310 HE3 LYS 43 2HE LYS 43 -7.500 -3.745 5.536 311 HZ1 LYS 43 3HZ LYS 43 -8.594 -3.032 7.559 312 HZ2 LYS 43 1HZ LYS 43 -9.735 -3.623 6.459 313 HZ3 LYS 43 2HZ LYS 43 -9.570 -1.956 6.691 314 H ASP 44 H ASP 44 -9.594 3.198 4.400 315 HA ASP 44 HA ASP 44 -11.811 3.456 4.841 316 HB2 ASP 44 1HB ASP 44 -11.168 0.941 6.331 317 HB3 ASP 44 2HB ASP 44 -12.747 1.689 6.554 318 H ARG 45 H ARG 45 -10.380 5.299 6.056 319 HA ARG 45 HA ARG 45 -10.433 6.855 7.715 320 HB2 ARG 45 1HB ARG 45 -12.802 5.318 8.791 321 HB3 ARG 45 2HB ARG 45 -12.380 6.989 9.140 322 HG2 ARG 45 1HG ARG 45 -12.869 6.195 6.314 323 HG3 ARG 45 2HG ARG 45 -14.245 6.399 7.401 324 HD2 ARG 45 1HD ARG 45 -13.774 8.659 7.762 325 HD3 ARG 45 2HD ARG 45 -12.118 8.500 7.175 326 HE ARG 45 HE ARG 45 -14.497 8.906 5.593 327 HH11 ARG 45 2HH1 ARG 45 -11.181 7.847 5.616 328 HH12 ARG 45 1HH1 ARG 45 -10.946 8.116 3.921 329 HH21 ARG 45 2HH2 ARG 45 -14.201 9.265 3.360 330 HH22 ARG 45 1HH2 ARG 45 -12.664 8.923 2.638 331 H LYS 46 H LYS 46 -8.618 4.853 8.041 332 HA LYS 46 HA LYS 46 -8.391 4.756 10.938 333 HB2 LYS 46 1HB LYS 46 -8.400 2.292 9.195 334 HB3 LYS 46 2HB LYS 46 -7.733 2.314 10.822 335 HG2 LYS 46 1HG LYS 46 -9.851 2.743 11.784 336 HG3 LYS 46 2HG LYS 46 -10.570 3.096 10.211 337 HD2 LYS 46 1HD LYS 46 -11.293 0.922 10.752 338 HD3 LYS 46 2HD LYS 46 -9.990 0.699 9.583 339 HE2 LYS 46 1HE LYS 46 -8.429 0.288 11.446 340 HE3 LYS 46 2HE LYS 46 -9.767 0.449 12.582 341 HZ1 LYS 46 3HZ LYS 46 -10.101 -1.712 12.312 342 HZ2 LYS 46 1HZ LYS 46 -8.985 -1.806 11.044 343 HZ3 LYS 46 2HZ LYS 46 -10.596 -1.402 10.724 344 H ALA 47 H ALA 47 -6.447 5.533 11.385 345 HA ALA 47 HA ALA 47 -4.401 5.862 9.476 346 HB1 ALA 47 3HB ALA 47 -4.109 5.924 12.475 347 HB2 ALA 47 1HB ALA 47 -3.050 6.682 11.285 348 HB3 ALA 47 2HB ALA 47 -4.700 7.269 11.499 349 H ILE 48 H ILE 48 -2.990 4.445 8.705 350 HA ILE 48 HA ILE 48 -2.733 1.831 9.920 351 HB ILE 48 HB ILE 48 -1.320 2.914 7.482 352 HG12 ILE 48 1HG1 ILE 48 -3.868 1.290 7.656 353 HG13 ILE 48 2HG1 ILE 48 -3.785 3.003 7.261 354 HG21 ILE 48 1HG2 ILE 48 -1.881 0.051 7.679 355 HG22 ILE 48 2HG2 ILE 48 -0.407 0.890 7.197 356 HG23 ILE 48 3HG2 ILE 48 -0.767 0.653 8.907 357 HD11 ILE 48 3HD1 ILE 48 -3.788 2.293 5.148 358 HD12 ILE 48 1HD1 ILE 48 -2.084 1.938 5.429 359 HD13 ILE 48 2HD1 ILE 48 -3.290 0.661 5.592 360 H ARG 49 H ARG 49 -0.922 0.968 10.855 361 HA ARG 49 HA ARG 49 1.171 2.896 11.586 362 HB2 ARG 49 1HB ARG 49 0.412 0.271 12.883 363 HB3 ARG 49 2HB ARG 49 1.673 1.360 13.447 364 HG2 ARG 49 1HG ARG 49 -0.214 3.113 13.580 365 HG3 ARG 49 2HG ARG 49 -1.293 1.719 13.511 366 HD2 ARG 49 1HD ARG 49 -0.067 0.755 15.450 367 HD3 ARG 49 2HD ARG 49 0.858 2.253 15.555 368 HE ARG 49 HE ARG 49 -0.915 3.187 16.634 369 HH11 ARG 49 2HH1 ARG 49 -2.064 0.479 14.772 370 HH12 ARG 49 1HH1 ARG 49 -3.690 0.598 15.360 371 HH21 ARG 49 2HH2 ARG 49 -3.051 3.353 17.416 372 HH22 ARG 49 1HH2 ARG 49 -4.250 2.233 16.863 373 H LYS 50 H LYS 50 3.350 2.386 11.386 374 HA LYS 50 HA LYS 50 3.960 0.506 9.272 375 HB2 LYS 50 1HB LYS 50 5.003 2.724 9.275 376 HB3 LYS 50 2HB LYS 50 5.750 2.381 10.830 377 HG2 LYS 50 1HG LYS 50 6.806 0.363 9.581 378 HG3 LYS 50 2HG LYS 50 6.409 1.289 8.132 379 HD2 LYS 50 1HD LYS 50 8.075 2.266 10.453 380 HD3 LYS 50 2HD LYS 50 8.695 1.737 8.887 381 HE2 LYS 50 1HE LYS 50 7.965 3.620 7.810 382 HE3 LYS 50 2HE LYS 50 6.628 3.874 8.931 383 HZ1 LYS 50 3HZ LYS 50 8.930 4.164 10.421 384 HZ2 LYS 50 1HZ LYS 50 7.884 5.393 9.913 385 HZ3 LYS 50 2HZ LYS 50 9.233 4.990 8.977 386 H SER 51 H SER 51 4.632 -1.510 9.567 387 HA SER 51 HA SER 51 6.362 -2.265 11.717 388 HB2 SER 51 1HB SER 51 4.759 -4.000 12.637 389 HB3 SER 51 2HB SER 51 4.371 -2.328 13.038 390 HG SER 51 HG SER 51 3.235 -3.720 10.846 391 H GLN 52 H GLN 52 6.625 -4.754 11.715 392 HA GLN 52 HA GLN 52 7.706 -5.644 9.420 393 HB2 GLN 52 1HB GLN 52 7.739 -6.848 11.603 394 HB3 GLN 52 2HB GLN 52 6.109 -7.419 11.273 395 HG2 GLN 52 1HG GLN 52 7.489 -9.194 10.670 396 HG3 GLN 52 2HG GLN 52 7.068 -8.423 9.141 397 HE21 GLN 52 1HE2 GLN 52 8.949 -9.511 8.308 398 HE22 GLN 52 2HE2 GLN 52 10.514 -8.814 8.536 399 H LYS 53 H LYS 53 4.307 -5.450 10.113 400 HA LYS 53 HA LYS 53 3.513 -7.063 7.856 401 HB2 LYS 53 1HB LYS 53 2.004 -7.144 9.661 402 HB3 LYS 53 2HB LYS 53 2.031 -5.398 9.875 403 HG2 LYS 53 1HG LYS 53 -0.077 -6.160 8.916 404 HG3 LYS 53 2HG LYS 53 0.796 -5.102 7.806 405 HD2 LYS 53 1HD LYS 53 0.224 -6.765 6.353 406 HD3 LYS 53 2HD LYS 53 1.753 -7.420 6.943 407 HE2 LYS 53 1HE LYS 53 -0.724 -8.091 8.440 408 HE3 LYS 53 2HE LYS 53 -0.471 -8.866 6.876 409 HZ1 LYS 53 3HZ LYS 53 1.560 -9.796 7.626 410 HZ2 LYS 53 1HZ LYS 53 0.412 -10.113 8.828 411 HZ3 LYS 53 2HZ LYS 53 1.548 -8.880 9.048 412 H TYR 54 H TYR 54 2.898 -3.649 8.703 413 HA TYR 54 HA TYR 54 2.667 -3.047 5.845 414 HB2 TYR 54 1HB TYR 54 1.949 -1.342 8.238 415 HB3 TYR 54 2HB TYR 54 1.623 -0.948 6.554 416 HD1 TYR 54 2HD TYR 54 0.023 -2.413 5.258 417 HD2 TYR 54 1HD TYR 54 0.464 -2.686 9.481 418 HE1 TYR 54 2HE TYR 54 -2.141 -3.571 5.403 419 HE2 TYR 54 1HE TYR 54 -1.699 -3.846 9.638 420 HH TYR 54 HH TYR 54 -3.941 -3.804 7.882 421 H ASP 55 H ASP 55 4.473 -2.416 4.881 422 HA ASP 55 HA ASP 55 6.461 -0.898 6.421 423 HB2 ASP 55 1HB ASP 55 6.921 -2.096 3.699 424 HB3 ASP 55 2HB ASP 55 8.112 -1.660 4.921 425 H VAL 56 H VAL 56 5.886 1.206 6.287 426 HA VAL 56 HA VAL 56 5.166 2.320 3.675 427 HB VAL 56 HB VAL 56 3.613 3.071 5.235 428 HG11 VAL 56 1HG1 VAL 56 4.498 2.323 7.279 429 HG12 VAL 56 2HG1 VAL 56 5.932 3.341 7.127 430 HG13 VAL 56 3HG1 VAL 56 4.360 4.072 7.454 431 HG21 VAL 56 3HG2 VAL 56 5.436 5.372 5.637 432 HG22 VAL 56 1HG2 VAL 56 5.103 4.887 3.974 433 HG23 VAL 56 2HG2 VAL 56 3.775 5.331 5.046 434 H VAL 57 H VAL 57 6.930 2.815 2.517 435 HA VAL 57 HA VAL 57 9.137 4.224 3.863 436 HB VAL 57 HB VAL 57 10.239 2.491 2.881 437 HG11 VAL 57 1HG1 VAL 57 8.035 2.492 0.844 438 HG12 VAL 57 2HG1 VAL 57 9.512 1.554 0.611 439 HG13 VAL 57 3HG1 VAL 57 8.472 1.234 2.000 440 HG21 VAL 57 3HG2 VAL 57 9.971 4.386 0.548 441 HG22 VAL 57 1HG2 VAL 57 11.121 4.533 1.877 442 HG23 VAL 57 2HG2 VAL 57 11.239 3.178 0.755 443 H CYS 58 H CYS 58 10.183 5.963 2.689 444 HA CYS 58 HA CYS 58 8.824 7.156 0.448 445 HB2 CYS 58 1HB CYS 58 7.403 7.931 2.285 446 HB3 CYS 58 2HB CYS 58 8.814 8.559 3.128 447 HG CYS 58 HG CYS 58 8.446 10.915 2.192 448 H GLU 59 H GLU 59 10.419 7.825 -0.812 449 HA GLU 59 HA GLU 59 12.578 9.423 0.289 450 HB2 GLU 59 1HB GLU 59 12.952 6.688 -0.857 451 HB3 GLU 59 2HB GLU 59 14.182 7.907 -1.156 452 HG2 GLU 59 1HG GLU 59 13.318 6.711 1.446 453 HG3 GLU 59 2HG GLU 59 14.930 6.781 0.736 454 H GLY 60 H GLY 60 13.566 10.766 -1.217 455 HA2 GLY 60 1HA GLY 60 13.385 12.200 -3.031 456 HA3 GLY 60 2HA GLY 60 13.685 10.706 -3.906 457 H THR 61 H THR 61 10.952 12.315 -2.274 458 HA THR 61 HA THR 61 8.742 12.462 -2.831 459 HB THR 61 HB THR 61 8.254 13.216 -5.100 460 HG1 THR 61 1HG THR 61 9.665 11.794 -6.228 461 HG21 THR 61 3HG2 THR 61 10.686 14.709 -4.960 462 HG22 THR 61 1HG2 THR 61 10.100 14.417 -3.323 463 HG23 THR 61 2HG2 THR 61 9.057 15.207 -4.506 464 H MET 62 H MET 62 9.664 9.805 -2.588 465 HA MET 62 HA MET 62 7.807 8.470 -4.428 466 HB2 MET 62 1HB MET 62 10.260 8.171 -5.080 467 HB3 MET 62 2HB MET 62 10.424 7.220 -3.610 468 HG2 MET 62 1HG MET 62 8.464 5.842 -4.527 469 HG3 MET 62 2HG MET 62 8.824 6.622 -6.065 470 HE1 MET 62 3HE MET 62 10.793 3.433 -3.746 471 HE2 MET 62 1HE MET 62 11.829 4.827 -3.436 472 HE3 MET 62 2HE MET 62 10.103 4.917 -3.088 473 H ALA 63 H ALA 63 6.226 8.202 -2.900 474 HA ALA 63 HA ALA 63 6.929 6.888 -0.380 475 HB1 ALA 63 3HB ALA 63 4.139 7.714 -0.964 476 HB2 ALA 63 1HB ALA 63 5.052 7.786 0.543 477 HB3 ALA 63 2HB ALA 63 5.342 8.981 -0.722 478 H MET 64 H MET 64 6.642 4.777 -0.110 479 HA MET 64 HA MET 64 4.662 3.395 -1.792 480 HB2 MET 64 1HB MET 64 6.994 2.999 -2.591 481 HB3 MET 64 2HB MET 64 7.368 2.288 -1.026 482 HG2 MET 64 1HG MET 64 5.631 0.583 -1.425 483 HG3 MET 64 2HG MET 64 5.365 1.269 -3.026 484 HE1 MET 64 3HE MET 64 9.340 -0.594 -1.662 485 HE2 MET 64 1HE MET 64 8.366 0.579 -0.774 486 HE3 MET 64 2HE MET 64 7.840 -1.100 -0.882 487 H LEU 65 H LEU 65 3.643 1.588 -0.860 488 HA LEU 65 HA LEU 65 4.120 1.178 2.011 489 HB2 LEU 65 1HB LEU 65 2.242 2.612 1.968 490 HB3 LEU 65 2HB LEU 65 1.504 1.725 0.636 491 HG LEU 65 HG LEU 65 1.295 -0.222 2.275 492 HD11 LEU 65 1HD1 LEU 65 2.783 1.453 3.900 493 HD12 LEU 65 2HD1 LEU 65 1.931 -0.009 4.394 494 HD13 LEU 65 3HD1 LEU 65 1.147 1.562 4.550 495 HD21 LEU 65 3HD2 LEU 65 -0.311 2.200 3.034 496 HD22 LEU 65 1HD2 LEU 65 -0.818 0.511 2.985 497 HD23 LEU 65 2HD2 LEU 65 -0.518 1.385 1.483 498 H VAL 66 H VAL 66 4.611 -0.879 2.334 499 HA VAL 66 HA VAL 66 3.658 -2.906 0.450 500 HB VAL 66 HB VAL 66 5.613 -3.373 2.691 501 HG11 VAL 66 1HG1 VAL 66 6.419 -5.138 1.132 502 HG12 VAL 66 2HG1 VAL 66 4.759 -5.375 1.681 503 HG13 VAL 66 3HG1 VAL 66 5.073 -4.747 0.063 504 HG21 VAL 66 3HG2 VAL 66 5.992 -1.886 0.177 505 HG22 VAL 66 1HG2 VAL 66 6.901 -1.819 1.687 506 HG23 VAL 66 2HG2 VAL 66 7.209 -3.113 0.528 507 H ILE 67 H ILE 67 2.391 -4.616 1.028 508 HA ILE 67 HA ILE 67 1.440 -4.693 3.816 509 HB ILE 67 HB ILE 67 -0.241 -5.179 1.354 510 HG12 ILE 67 1HG1 ILE 67 -0.770 -2.977 3.298 511 HG13 ILE 67 2HG1 ILE 67 0.521 -2.754 2.122 512 HG21 ILE 67 1HG2 ILE 67 -1.645 -4.772 3.851 513 HG22 ILE 67 2HG2 ILE 67 -1.799 -6.071 2.670 514 HG23 ILE 67 3HG2 ILE 67 -0.564 -6.163 3.926 515 HD11 ILE 67 3HD1 ILE 67 -2.250 -2.379 1.780 516 HD12 ILE 67 1HD1 ILE 67 -0.963 -2.188 0.590 517 HD13 ILE 67 2HD1 ILE 67 -1.774 -3.744 0.770 518 H ARG 68 H ARG 68 2.900 -6.382 4.280 519 HA ARG 68 HA ARG 68 3.342 -8.698 2.868 520 HB2 ARG 68 1HB ARG 68 3.296 -8.121 5.815 521 HB3 ARG 68 2HB ARG 68 3.623 -9.746 5.226 522 HG2 ARG 68 1HG ARG 68 5.186 -7.402 4.216 523 HG3 ARG 68 2HG ARG 68 5.603 -8.193 5.738 524 HD2 ARG 68 1HD ARG 68 5.376 -9.570 3.064 525 HD3 ARG 68 2HD ARG 68 6.887 -9.067 3.821 526 HE ARG 68 HE ARG 68 5.294 -10.787 5.478 527 HH11 ARG 68 2HH1 ARG 68 7.668 -10.670 2.934 528 HH12 ARG 68 1HH1 ARG 68 8.295 -12.250 3.269 529 HH21 ARG 68 2HH2 ARG 68 6.111 -12.868 5.929 530 HH22 ARG 68 1HH2 ARG 68 7.409 -13.499 4.972 531 H GLY 69 H GLY 69 2.274 -10.564 2.488 532 HA2 GLY 69 1HA GLY 69 0.358 -11.823 2.143 533 HA3 GLY 69 2HA GLY 69 0.416 -11.911 3.898 534 H ALA 70 H ALA 70 -0.921 -10.126 1.170 535 HA ALA 70 HA ALA 70 -2.769 -8.676 2.867 536 HB1 ALA 70 3HB ALA 70 -2.759 -8.767 -0.141 537 HB2 ALA 70 1HB ALA 70 -3.456 -7.532 0.909 538 HB3 ALA 70 2HB ALA 70 -1.705 -7.710 0.798 539 H SER 71 H SER 71 -4.266 -9.997 3.762 540 HA SER 71 HA SER 71 -5.522 -12.105 2.242 541 HB2 SER 71 1HB SER 71 -5.922 -11.070 5.052 542 HB3 SER 71 2HB SER 71 -6.899 -12.367 4.362 543 HG SER 71 HG SER 71 -4.712 -13.333 3.887 544 H LEU 72 H LEU 72 -7.958 -12.273 2.273 545 HA LEU 72 HA LEU 72 -9.150 -10.404 0.703 546 HB2 LEU 72 1HB LEU 72 -10.613 -11.932 2.846 547 HB3 LEU 72 2HB LEU 72 -11.278 -11.315 1.335 548 HG LEU 72 HG LEU 72 -9.205 -13.498 1.528 549 HD11 LEU 72 1HD1 LEU 72 -11.487 -14.036 2.484 550 HD12 LEU 72 2HD1 LEU 72 -10.917 -15.076 1.180 551 HD13 LEU 72 3HD1 LEU 72 -12.114 -13.824 0.849 552 HD21 LEU 72 3HD2 LEU 72 -10.926 -12.942 -0.845 553 HD22 LEU 72 1HD2 LEU 72 -9.340 -13.710 -0.758 554 HD23 LEU 72 2HD2 LEU 72 -9.485 -11.962 -0.568 555 H LYS 73 H LYS 73 -8.979 -10.394 4.224 556 HA LYS 73 HA LYS 73 -10.718 -8.225 4.676 557 HB2 LYS 73 1HB LYS 73 -8.496 -9.483 6.253 558 HB3 LYS 73 2HB LYS 73 -9.263 -8.008 6.827 559 HG2 LYS 73 1HG LYS 73 -10.335 -9.833 7.896 560 HG3 LYS 73 2HG LYS 73 -11.459 -9.197 6.693 561 HD2 LYS 73 1HD LYS 73 -10.651 -10.982 5.129 562 HD3 LYS 73 2HD LYS 73 -9.747 -11.670 6.480 563 HE2 LYS 73 1HE LYS 73 -11.839 -12.837 6.264 564 HE3 LYS 73 2HE LYS 73 -11.873 -11.870 7.738 565 HZ1 LYS 73 3HZ LYS 73 -12.945 -10.701 5.272 566 HZ2 LYS 73 1HZ LYS 73 -13.409 -10.442 6.878 567 HZ3 LYS 73 2HZ LYS 73 -13.874 -11.860 6.082 568 H ASP 74 H ASP 74 -7.171 -8.345 4.401 569 HA ASP 74 HA ASP 74 -6.381 -5.831 4.866 570 HB2 ASP 74 1HB ASP 74 -5.600 -7.588 2.539 571 HB3 ASP 74 2HB ASP 74 -4.776 -6.076 2.909 572 H ALA 75 H ALA 75 -8.104 -6.869 1.960 573 HA ALA 75 HA ALA 75 -7.984 -4.724 0.319 574 HB1 ALA 75 3HB ALA 75 -9.454 -6.907 0.254 575 HB2 ALA 75 1HB ALA 75 -10.706 -5.810 0.836 576 HB3 ALA 75 2HB ALA 75 -9.889 -5.485 -0.694 577 H GLY 76 H GLY 76 -8.921 -2.709 0.115 578 HA2 GLY 76 1HA GLY 76 -10.984 -1.555 1.459 579 HA3 GLY 76 2HA GLY 76 -9.644 -1.420 2.589 580 H GLU 77 H GLU 77 -10.588 0.904 1.960 581 HA GLU 77 HA GLU 77 -9.257 1.959 -0.407 582 HB2 GLU 77 1HB GLU 77 -11.385 2.897 1.430 583 HB3 GLU 77 2HB GLU 77 -10.360 4.139 0.725 584 HG2 GLU 77 1HG GLU 77 -11.146 3.799 -1.378 585 HG3 GLU 77 2HG GLU 77 -11.479 2.091 -1.098 586 H TYR 78 H TYR 78 -7.261 2.724 -0.315 587 HA TYR 78 HA TYR 78 -6.149 3.490 2.289 588 HB2 TYR 78 1HB TYR 78 -4.781 2.839 -0.329 589 HB3 TYR 78 2HB TYR 78 -3.947 3.299 1.151 590 HD1 TYR 78 1HD TYR 78 -4.152 1.794 3.172 591 HD2 TYR 78 2HD TYR 78 -5.441 0.609 -0.706 592 HE1 TYR 78 1HE TYR 78 -4.109 -0.560 3.883 593 HE2 TYR 78 2HE TYR 78 -5.402 -1.748 -0.005 594 HH TYR 78 HH TYR 78 -5.229 -2.713 3.191 595 H THR 79 H THR 79 -6.688 5.584 2.622 596 HA THR 79 HA THR 79 -6.405 7.532 0.479 597 HB THR 79 HB THR 79 -7.328 7.883 3.337 598 HG1 THR 79 1HG THR 79 -9.345 8.321 1.941 599 HG21 THR 79 3HG2 THR 79 -7.883 9.880 1.204 600 HG22 THR 79 1HG2 THR 79 -6.275 9.868 1.927 601 HG23 THR 79 2HG2 THR 79 -7.697 10.107 2.943 602 H CYS 80 H CYS 80 -4.422 8.271 0.085 603 HA CYS 80 HA CYS 80 -2.429 8.404 2.180 604 HB2 CYS 80 1HB CYS 80 -2.447 8.637 -0.778 605 HB3 CYS 80 2HB CYS 80 -1.186 9.522 0.072 606 HG CYS 80 HG CYS 80 -0.514 7.029 1.513 607 H GLU 81 H GLU 81 -3.480 10.004 3.501 608 HA GLU 81 HA GLU 81 -4.032 12.621 2.534 609 HB2 GLU 81 1HB GLU 81 -4.815 11.329 4.719 610 HB3 GLU 81 2HB GLU 81 -3.428 12.155 5.415 611 HG2 GLU 81 1HG GLU 81 -4.551 14.238 4.219 612 HG3 GLU 81 2HG GLU 81 -5.995 13.251 4.432 613 H VAL 82 H VAL 82 -2.716 14.298 2.232 614 HA VAL 82 HA VAL 82 -0.041 14.227 3.464 615 HB VAL 82 HB VAL 82 -0.282 13.753 0.872 616 HG11 VAL 82 1HG1 VAL 82 0.216 16.643 0.571 617 HG12 VAL 82 2HG1 VAL 82 -0.597 15.510 -0.511 618 HG13 VAL 82 3HG1 VAL 82 -1.456 16.176 0.879 619 HG21 VAL 82 3HG2 VAL 82 1.872 15.664 1.192 620 HG22 VAL 82 1HG2 VAL 82 1.753 14.566 2.567 621 HG23 VAL 82 2HG2 VAL 82 1.940 13.920 0.937 622 H GLU 83 H GLU 83 0.981 16.586 2.814 623 HA GLU 83 HA GLU 83 0.186 18.427 4.547 624 HB2 GLU 83 1HB GLU 83 0.673 19.623 1.886 625 HB3 GLU 83 2HB GLU 83 1.457 19.943 3.427 626 HG2 GLU 83 1HG GLU 83 1.976 17.612 1.597 627 HG3 GLU 83 2HG GLU 83 3.036 18.992 1.879 628 H ALA 84 H ALA 84 -0.925 18.888 1.197 629 HA ALA 84 HA ALA 84 -3.539 19.725 2.271 630 HB1 ALA 84 3HB ALA 84 -1.674 21.321 0.900 631 HB2 ALA 84 1HB ALA 84 -2.994 21.010 -0.227 632 HB3 ALA 84 2HB ALA 84 -3.330 21.731 1.347 633 H SER 85 H SER 85 -1.754 18.024 -0.176 634 HA SER 85 HA SER 85 -4.051 17.492 -1.834 635 HB2 SER 85 1HB SER 85 -1.157 16.819 -1.894 636 HB3 SER 85 2HB SER 85 -2.247 15.710 -2.725 637 HG SER 85 HG SER 85 -2.964 17.402 -3.995 638 H LYS 86 H LYS 86 -4.437 15.098 -2.436 639 HA LYS 86 HA LYS 86 -4.069 13.157 -0.363 640 HB2 LYS 86 1HB LYS 86 -6.764 14.455 -0.737 641 HB3 LYS 86 2HB LYS 86 -6.585 12.852 -0.036 642 HG2 LYS 86 1HG LYS 86 -4.878 14.128 1.532 643 HG3 LYS 86 2HG LYS 86 -5.887 15.506 1.086 644 HD2 LYS 86 1HD LYS 86 -6.785 12.932 2.378 645 HD3 LYS 86 2HD LYS 86 -6.748 14.537 3.112 646 HE2 LYS 86 1HE LYS 86 -8.318 15.190 1.155 647 HE3 LYS 86 2HE LYS 86 -8.589 13.454 1.014 648 HZ1 LYS 86 3HZ LYS 86 -10.241 14.055 2.456 649 HZ2 LYS 86 1HZ LYS 86 -9.331 15.278 3.191 650 HZ3 LYS 86 2HZ LYS 86 -9.021 13.657 3.558 651 H SER 87 H SER 87 -4.646 11.065 -1.008 652 HA SER 87 HA SER 87 -5.808 10.757 -3.678 653 HB2 SER 87 1HB SER 87 -3.257 10.797 -3.780 654 HB3 SER 87 2HB SER 87 -3.299 9.273 -2.893 655 HG SER 87 HG SER 87 -4.191 8.282 -4.596 656 H THR 88 H THR 88 -6.886 8.827 -4.018 657 HA THR 88 HA THR 88 -7.046 6.999 -1.714 658 HB THR 88 HB THR 88 -9.361 7.958 -3.407 659 HG1 THR 88 1HG THR 88 -8.307 9.134 -1.399 660 HG21 THR 88 3HG2 THR 88 -10.717 6.626 -1.760 661 HG22 THR 88 1HG2 THR 88 -9.209 5.898 -1.209 662 HG23 THR 88 2HG2 THR 88 -9.745 5.662 -2.872 663 H ALA 89 H ALA 89 -7.566 4.817 -2.196 664 HA ALA 89 HA ALA 89 -7.734 3.974 -4.958 665 HB1 ALA 89 3HB ALA 89 -5.662 3.198 -5.274 666 HB2 ALA 89 1HB ALA 89 -5.210 4.243 -3.927 667 HB3 ALA 89 2HB ALA 89 -5.562 2.538 -3.642 668 H SER 90 H SER 90 -8.622 1.955 -5.195 669 HA SER 90 HA SER 90 -9.529 0.678 -2.709 670 HB2 SER 90 1HB SER 90 -10.704 0.978 -5.428 671 HB3 SER 90 2HB SER 90 -11.076 -0.501 -4.543 672 HG SER 90 HG SER 90 -12.047 0.670 -2.972 673 H LEU 91 H LEU 91 -8.509 -1.106 -2.113 674 HA LEU 91 HA LEU 91 -6.937 -2.603 -4.054 675 HB2 LEU 91 1HB LEU 91 -5.768 -2.156 -2.064 676 HB3 LEU 91 2HB LEU 91 -7.136 -2.629 -1.059 677 HG LEU 91 HG LEU 91 -6.775 -4.985 -1.803 678 HD11 LEU 91 1HD1 LEU 91 -5.447 -4.155 -3.865 679 HD12 LEU 91 2HD1 LEU 91 -4.945 -5.638 -3.056 680 HD13 LEU 91 3HD1 LEU 91 -4.073 -4.134 -2.760 681 HD21 LEU 91 3HD2 LEU 91 -4.723 -5.311 -0.425 682 HD22 LEU 91 1HD2 LEU 91 -5.956 -4.310 0.342 683 HD23 LEU 91 2HD2 LEU 91 -4.533 -3.558 -0.380 684 H HIS 92 H HIS 92 -7.430 -4.582 -4.801 685 HA HIS 92 HA HIS 92 -9.845 -5.880 -3.718 686 HB2 HIS 92 1HB HIS 92 -8.808 -6.102 -6.548 687 HB3 HIS 92 2HB HIS 92 -10.340 -6.708 -5.926 688 HD1 HIS 92 1HD HIS 92 -12.248 -5.004 -5.607 689 HD2 HIS 92 2HD HIS 92 -8.743 -3.355 -7.109 690 HE1 HIS 92 1HE HIS 92 -12.878 -2.707 -6.414 691 HE2 HIS 92 2HE HIS 92 -10.760 -1.761 -7.396 692 H VAL 93 H VAL 93 -9.600 -7.849 -2.891 693 HA VAL 93 HA VAL 93 -7.240 -9.426 -3.682 694 HB VAL 93 HB VAL 93 -8.379 -9.214 -0.891 695 HG11 VAL 93 1HG1 VAL 93 -7.560 -11.335 -0.855 696 HG12 VAL 93 2HG1 VAL 93 -6.415 -11.035 -2.164 697 HG13 VAL 93 3HG1 VAL 93 -6.060 -10.465 -0.533 698 HG21 VAL 93 3HG2 VAL 93 -6.896 -7.610 -0.451 699 HG22 VAL 93 1HG2 VAL 93 -5.592 -8.506 -1.231 700 HG23 VAL 93 2HG2 VAL 93 -6.652 -7.476 -2.193 701 H GLU 94 H GLU 94 -8.012 -11.088 -4.817 702 HA GLU 94 HA GLU 94 -10.112 -12.731 -3.607 703 HB2 GLU 94 1HB GLU 94 -10.112 -11.825 -6.491 704 HB3 GLU 94 2HB GLU 94 -11.208 -13.016 -5.805 705 HG2 GLU 94 1HG GLU 94 -11.999 -11.245 -4.224 706 HG3 GLU 94 2HG GLU 94 -11.042 -10.088 -5.148 707 H GLU 95 H GLU 95 -9.816 -14.891 -3.838 708 HA GLU 95 HA GLU 95 -7.270 -15.776 -4.842 709 HB2 GLU 95 1HB GLU 95 -8.697 -16.633 -2.790 710 HB3 GLU 95 2HB GLU 95 -9.405 -17.688 -4.005 711 HG2 GLU 95 1HG GLU 95 -6.445 -17.530 -3.827 712 HG3 GLU 95 2HG GLU 95 -7.319 -18.422 -2.583 713 H LYS 96 H LYS 96 -6.841 -16.955 -6.643 714 HA LYS 96 HA LYS 96 -8.385 -16.703 -8.912 715 HB2 LYS 96 1HB LYS 96 -6.374 -18.861 -8.252 716 HB3 LYS 96 2HB LYS 96 -6.999 -18.539 -9.863 717 HG2 LYS 96 1HG LYS 96 -6.043 -16.285 -9.777 718 HG3 LYS 96 2HG LYS 96 -5.397 -16.630 -8.170 719 HD2 LYS 96 1HD LYS 96 -4.021 -18.413 -9.081 720 HD3 LYS 96 2HD LYS 96 -4.712 -18.155 -10.684 721 HE2 LYS 96 1HE LYS 96 -3.387 -15.891 -9.254 722 HE3 LYS 96 2HE LYS 96 -2.402 -17.109 -10.063 723 HZ1 LYS 96 3HZ LYS 96 -4.004 -16.615 -12.033 724 HZ2 LYS 96 1HZ LYS 96 -2.700 -15.583 -11.723 725 HZ3 LYS 96 2HZ LYS 96 -4.257 -15.151 -11.224 726 H ALA 97 H ALA 97 -10.390 -17.403 -9.229 727 HA ALA 97 HA ALA 97 -11.690 -19.415 -7.816 728 HB1 ALA 97 3HB ALA 97 -13.424 -19.290 -9.505 729 HB2 ALA 97 1HB ALA 97 -12.839 -17.673 -9.115 730 HB3 ALA 97 2HB ALA 97 -12.323 -18.462 -10.606 731 H SER 98 H SER 98 -12.018 -21.572 -8.120 732 HA SER 98 HA SER 98 -10.281 -22.871 -10.097 733 HB2 SER 98 1HB SER 98 -10.033 -23.436 -7.651 734 HB3 SER 98 2HB SER 98 -11.643 -24.152 -7.720 735 HG SER 98 HG SER 98 -10.773 -25.487 -9.463 736 H GLY 99 H GLY 99 -13.499 -23.365 -8.628 737 HA2 GLY 99 1HA GLY 99 -15.170 -23.371 -10.687 738 HA3 GLY 99 2HA GLY 99 -14.326 -24.885 -10.978 739 HA PRO 100 HA PRO 100 -17.813 -25.158 -7.671 740 HB2 PRO 100 1HB PRO 100 -19.958 -25.748 -9.227 741 HB3 PRO 100 2HB PRO 100 -19.537 -24.096 -8.758 742 HG2 PRO 100 1HG PRO 100 -18.981 -25.536 -11.322 743 HG3 PRO 100 2HG PRO 100 -19.539 -23.872 -11.072 744 HD2 PRO 100 1HD PRO 100 -16.957 -24.476 -11.620 745 HD3 PRO 100 2HD PRO 100 -17.419 -23.099 -10.600 746 H SER 101 H SER 101 -18.826 -27.142 -7.033 747 HA SER 101 HA SER 101 -17.797 -29.479 -8.504 748 HB2 SER 101 1HB SER 101 -16.757 -29.361 -6.344 749 HB3 SER 101 2HB SER 101 -18.307 -29.081 -5.550 750 HG SER 101 HG SER 101 -17.377 -31.451 -6.788 751 H SER 102 H SER 102 -19.707 -29.445 -9.838 752 HA SER 102 HA SER 102 -22.147 -30.336 -8.452 753 HB2 SER 102 1HB SER 102 -21.747 -28.953 -11.106 754 HB3 SER 102 2HB SER 102 -23.273 -29.710 -10.653 755 HG SER 102 HG SER 102 -22.118 -27.947 -8.829 756 H GLY 103 H GLY 103 -23.347 -32.088 -9.324 757 HA2 GLY 103 1HA GLY 103 -23.662 -34.071 -10.471 758 HA3 GLY 103 2HA GLY 103 -22.306 -33.644 -11.504 Start of MODEL 20 1 H1 GLY 1 H GLY 1 13.990 28.889 11.592 2 HA2 GLY 1 1HA GLY 1 11.409 29.066 11.442 3 HA3 GLY 1 2HA GLY 1 11.787 30.437 10.409 4 H SER 2 H SER 2 10.863 29.569 8.569 5 HA SER 2 HA SER 2 11.899 27.014 7.591 6 HB2 SER 2 1HB SER 2 9.505 28.689 6.973 7 HB3 SER 2 2HB SER 2 10.129 27.628 5.710 8 HG SER 2 HG SER 2 9.452 26.802 8.341 9 H SER 3 H SER 3 13.264 26.837 5.914 10 HA SER 3 HA SER 3 14.497 29.238 4.895 11 HB2 SER 3 1HB SER 3 15.742 27.109 5.501 12 HB3 SER 3 2HB SER 3 15.067 26.398 4.035 13 HG SER 3 HG SER 3 17.254 27.615 4.075 14 H GLY 4 H GLY 4 12.804 26.451 3.451 15 HA2 GLY 4 1HA GLY 4 11.055 26.985 1.795 16 HA3 GLY 4 2HA GLY 4 12.158 28.193 1.152 17 H SER 5 H SER 5 10.832 25.769 -0.039 18 HA SER 5 HA SER 5 13.281 24.583 -1.159 19 HB2 SER 5 1HB SER 5 10.724 23.090 -0.523 20 HB3 SER 5 2HB SER 5 12.154 22.404 -1.293 21 HG SER 5 HG SER 5 13.265 23.171 0.709 22 H SER 6 H SER 6 12.681 23.324 -3.249 23 HA SER 6 HA SER 6 12.082 24.967 -5.274 24 HB2 SER 6 1HB SER 6 11.214 22.953 -6.539 25 HB3 SER 6 2HB SER 6 12.784 22.732 -5.766 26 HG SER 6 HG SER 6 11.844 21.035 -4.943 27 H GLY 7 H GLY 7 9.684 23.266 -3.309 28 HA2 GLY 7 1HA GLY 7 7.724 25.244 -3.550 29 HA3 GLY 7 2HA GLY 7 7.409 24.040 -4.791 30 HA PRO 8 HA PRO 8 5.140 22.656 -1.041 31 HB2 PRO 8 1HB PRO 8 2.992 21.733 -2.421 32 HB3 PRO 8 2HB PRO 8 3.168 23.424 -1.935 33 HG2 PRO 8 1HG PRO 8 3.721 22.147 -4.586 34 HG3 PRO 8 2HG PRO 8 2.914 23.686 -4.232 35 HD2 PRO 8 1HD PRO 8 5.499 23.545 -5.025 36 HD3 PRO 8 2HD PRO 8 4.907 24.803 -3.922 37 H ALA 9 H ALA 9 4.073 20.441 -0.694 38 HA ALA 9 HA ALA 9 5.644 18.387 -2.110 39 HB1 ALA 9 3HB ALA 9 6.009 17.229 -0.146 40 HB2 ALA 9 1HB ALA 9 6.114 18.905 0.391 41 HB3 ALA 9 2HB ALA 9 4.639 17.979 0.674 42 H ALA 10 H ALA 10 3.012 19.383 -2.842 43 HA ALA 10 HA ALA 10 0.970 17.628 -1.992 44 HB1 ALA 10 3HB ALA 10 1.305 19.516 -4.275 45 HB2 ALA 10 1HB ALA 10 -0.041 18.376 -4.289 46 HB3 ALA 10 2HB ALA 10 0.125 19.529 -2.965 47 H ILE 11 H ILE 11 -0.202 16.149 -3.559 48 HA ILE 11 HA ILE 11 1.765 14.309 -4.698 49 HB ILE 11 HB ILE 11 -1.185 13.847 -4.254 50 HG12 ILE 11 1HG1 ILE 11 1.061 12.819 -2.526 51 HG13 ILE 11 2HG1 ILE 11 0.241 14.338 -2.180 52 HG21 ILE 11 1HG2 ILE 11 0.489 11.510 -4.217 53 HG22 ILE 11 2HG2 ILE 11 -0.900 11.877 -5.238 54 HG23 ILE 11 3HG2 ILE 11 0.711 12.407 -5.719 55 HD11 ILE 11 3HD1 ILE 11 -1.321 11.816 -2.526 56 HD12 ILE 11 1HD1 ILE 11 -0.533 12.189 -0.994 57 HD13 ILE 11 2HD1 ILE 11 -1.748 13.286 -1.651 58 H ILE 12 H ILE 12 2.043 14.082 -6.817 59 HA ILE 12 HA ILE 12 0.148 15.410 -8.621 60 HB ILE 12 HB ILE 12 2.134 14.836 -10.284 61 HG12 ILE 12 1HG1 ILE 12 3.267 13.677 -8.216 62 HG13 ILE 12 2HG1 ILE 12 4.238 14.611 -9.348 63 HG21 ILE 12 1HG2 ILE 12 3.203 17.070 -9.341 64 HG22 ILE 12 2HG2 ILE 12 1.648 17.057 -10.171 65 HG23 ILE 12 3HG2 ILE 12 1.706 17.095 -8.409 66 HD11 ILE 12 3HD1 ILE 12 4.777 16.133 -7.807 67 HD12 ILE 12 1HD1 ILE 12 3.149 16.173 -7.132 68 HD13 ILE 12 2HD1 ILE 12 4.272 14.900 -6.652 69 H LYS 13 H LYS 13 1.709 12.329 -7.973 70 HA LYS 13 HA LYS 13 0.069 11.088 -10.080 71 HB2 LYS 13 1HB LYS 13 2.622 10.135 -8.772 72 HB3 LYS 13 2HB LYS 13 1.677 9.179 -9.905 73 HG2 LYS 13 1HG LYS 13 2.028 10.913 -11.620 74 HG3 LYS 13 2HG LYS 13 3.042 11.800 -10.480 75 HD2 LYS 13 1HD LYS 13 4.589 9.923 -10.372 76 HD3 LYS 13 2HD LYS 13 3.559 8.992 -11.461 77 HE2 LYS 13 1HE LYS 13 3.963 10.539 -13.253 78 HE3 LYS 13 2HE LYS 13 4.831 11.631 -12.174 79 HZ1 LYS 13 3HZ LYS 13 5.697 8.882 -12.894 80 HZ2 LYS 13 1HZ LYS 13 6.537 9.956 -11.892 81 HZ3 LYS 13 2HZ LYS 13 6.339 10.311 -13.534 82 HA PRO 14 HA PRO 14 -2.123 9.674 -6.367 83 HB2 PRO 14 1HB PRO 14 -4.409 9.064 -7.700 84 HB3 PRO 14 2HB PRO 14 -4.007 10.706 -7.184 85 HG2 PRO 14 1HG PRO 14 -3.694 9.437 -9.877 86 HG3 PRO 14 2HG PRO 14 -4.290 11.056 -9.465 87 HD2 PRO 14 1HD PRO 14 -1.767 10.611 -10.342 88 HD3 PRO 14 2HD PRO 14 -2.165 11.906 -9.194 89 H LEU 15 H LEU 15 -2.861 7.613 -5.696 90 HA LEU 15 HA LEU 15 -1.490 5.426 -6.864 91 HB2 LEU 15 1HB LEU 15 -3.748 5.294 -4.876 92 HB3 LEU 15 2HB LEU 15 -2.498 4.083 -5.158 93 HG LEU 15 HG LEU 15 -1.712 6.807 -4.217 94 HD11 LEU 15 1HD1 LEU 15 -2.204 4.787 -2.134 95 HD12 LEU 15 2HD1 LEU 15 -3.641 5.522 -2.843 96 HD13 LEU 15 3HD1 LEU 15 -2.410 6.539 -2.095 97 HD21 LEU 15 3HD2 LEU 15 -0.399 4.392 -4.764 98 HD22 LEU 15 1HD2 LEU 15 -0.405 4.555 -3.007 99 HD23 LEU 15 2HD2 LEU 15 0.274 5.838 -4.010 100 H GLU 16 H GLU 16 -2.830 3.278 -7.160 101 HA GLU 16 HA GLU 16 -5.278 3.776 -8.680 102 HB2 GLU 16 1HB GLU 16 -2.892 2.281 -9.780 103 HB3 GLU 16 2HB GLU 16 -4.470 2.374 -10.549 104 HG2 GLU 16 1HG GLU 16 -3.414 4.019 -11.689 105 HG3 GLU 16 2HG GLU 16 -4.026 4.968 -10.335 106 H ASP 17 H ASP 17 -6.717 2.083 -8.695 107 HA ASP 17 HA ASP 17 -6.867 0.353 -6.600 108 HB2 ASP 17 1HB ASP 17 -7.937 -0.019 -9.402 109 HB3 ASP 17 2HB ASP 17 -8.396 -1.037 -8.039 110 H GLN 18 H GLN 18 -6.281 -1.745 -6.142 111 HA GLN 18 HA GLN 18 -4.312 -2.955 -7.970 112 HB2 GLN 18 1HB GLN 18 -4.360 -3.043 -4.949 113 HB3 GLN 18 2HB GLN 18 -3.212 -3.902 -5.968 114 HG2 GLN 18 1HG GLN 18 -3.519 -0.912 -5.970 115 HG3 GLN 18 2HG GLN 18 -2.372 -1.778 -4.949 116 HE21 GLN 18 1HE2 GLN 18 -1.357 0.041 -6.596 117 HE22 GLN 18 2HE2 GLN 18 -0.548 -0.697 -7.931 118 H TRP 19 H TRP 19 -4.471 -5.109 -8.408 119 HA TRP 19 HA TRP 19 -6.681 -6.573 -7.124 120 HB2 TRP 19 1HB TRP 19 -5.997 -6.321 -10.039 121 HB3 TRP 19 2HB TRP 19 -6.850 -7.741 -9.439 122 HD1 TRP 19 HD TRP 19 -9.319 -7.291 -8.343 123 HE1 TRP 19 1HE TRP 19 -11.053 -5.463 -8.865 124 HE3 TRP 19 3HE TRP 19 -6.278 -3.947 -10.731 125 HZ2 TRP 19 2HZ TRP 19 -11.123 -2.937 -10.123 126 HZ3 TRP 19 3HZ TRP 19 -7.257 -1.848 -11.563 127 HH2 TRP 19 HH TRP 19 -9.630 -1.356 -11.266 128 H VAL 20 H VAL 20 -5.529 -7.879 -5.793 129 HA VAL 20 HA VAL 20 -3.603 -9.700 -7.078 130 HB VAL 20 HB VAL 20 -2.246 -9.737 -5.077 131 HG11 VAL 20 1HG1 VAL 20 -2.458 -6.824 -5.332 132 HG12 VAL 20 2HG1 VAL 20 -1.091 -7.896 -5.641 133 HG13 VAL 20 3HG1 VAL 20 -2.344 -7.687 -6.865 134 HG21 VAL 20 3HG2 VAL 20 -3.310 -7.491 -3.651 135 HG22 VAL 20 1HG2 VAL 20 -4.558 -8.723 -3.838 136 HG23 VAL 20 2HG2 VAL 20 -3.018 -9.134 -3.082 137 H ALA 21 H ALA 21 -3.126 -11.508 -5.214 138 HA ALA 21 HA ALA 21 -5.780 -12.635 -4.633 139 HB1 ALA 21 3HB ALA 21 -3.873 -14.650 -4.323 140 HB2 ALA 21 1HB ALA 21 -4.990 -14.432 -5.671 141 HB3 ALA 21 2HB ALA 21 -3.368 -13.743 -5.748 142 HA PRO 22 HA PRO 22 -5.152 -12.610 -0.291 143 HB2 PRO 22 1HB PRO 22 -6.161 -15.013 0.469 144 HB3 PRO 22 2HB PRO 22 -7.176 -13.676 -0.083 145 HG2 PRO 22 1HG PRO 22 -6.217 -16.075 -1.595 146 HG3 PRO 22 2HG PRO 22 -7.824 -15.326 -1.589 147 HD2 PRO 22 1HD PRO 22 -6.027 -14.906 -3.571 148 HD3 PRO 22 2HD PRO 22 -7.194 -13.668 -3.062 149 H GLY 23 H GLY 23 -2.806 -12.648 -0.422 150 HA2 GLY 23 1HA GLY 23 -1.404 -14.134 1.225 151 HA3 GLY 23 2HA GLY 23 -1.553 -15.277 -0.102 152 H GLU 24 H GLU 24 -1.521 -12.518 -1.711 153 HA GLU 24 HA GLU 24 1.352 -12.676 -2.193 154 HB2 GLU 24 1HB GLU 24 -0.645 -11.015 -3.722 155 HB3 GLU 24 2HB GLU 24 0.943 -11.554 -4.249 156 HG2 GLU 24 1HG GLU 24 -0.131 -13.935 -3.878 157 HG3 GLU 24 2HG GLU 24 -1.624 -13.034 -4.133 158 H ASP 25 H ASP 25 2.329 -10.437 -2.856 159 HA ASP 25 HA ASP 25 1.837 -8.632 -0.593 160 HB2 ASP 25 1HB ASP 25 4.117 -7.695 -1.283 161 HB3 ASP 25 2HB ASP 25 4.097 -9.312 -0.585 162 H VAL 26 H VAL 26 1.481 -6.453 -0.875 163 HA VAL 26 HA VAL 26 0.984 -5.583 -3.649 164 HB VAL 26 HB VAL 26 -0.544 -4.905 -1.138 165 HG11 VAL 26 1HG1 VAL 26 -1.947 -3.528 -2.800 166 HG12 VAL 26 2HG1 VAL 26 -0.436 -2.836 -2.207 167 HG13 VAL 26 3HG1 VAL 26 -0.505 -3.557 -3.815 168 HG21 VAL 26 3HG2 VAL 26 -1.820 -6.598 -1.818 169 HG22 VAL 26 1HG2 VAL 26 -2.268 -5.610 -3.209 170 HG23 VAL 26 2HG2 VAL 26 -0.925 -6.747 -3.330 171 H GLU 27 H GLU 27 1.585 -3.508 -4.236 172 HA GLU 27 HA GLU 27 3.017 -1.907 -2.235 173 HB2 GLU 27 1HB GLU 27 4.063 -2.571 -4.994 174 HB3 GLU 27 2HB GLU 27 4.814 -1.457 -3.860 175 HG2 GLU 27 1HG GLU 27 5.278 -3.238 -2.325 176 HG3 GLU 27 2HG GLU 27 4.372 -4.382 -3.314 177 H LEU 28 H LEU 28 2.166 0.055 -2.178 178 HA LEU 28 HA LEU 28 0.944 1.137 -4.629 179 HB2 LEU 28 1HB LEU 28 0.367 1.809 -1.747 180 HB3 LEU 28 2HB LEU 28 -0.412 2.546 -3.145 181 HG LEU 28 HG LEU 28 -0.592 -0.410 -2.781 182 HD11 LEU 28 1HD1 LEU 28 -2.011 -0.366 -1.046 183 HD12 LEU 28 2HD1 LEU 28 -2.766 1.139 -1.568 184 HD13 LEU 28 3HD1 LEU 28 -1.244 1.179 -0.677 185 HD21 LEU 28 3HD2 LEU 28 -2.003 1.746 -4.230 186 HD22 LEU 28 1HD2 LEU 28 -2.999 0.432 -3.603 187 HD23 LEU 28 2HD2 LEU 28 -1.670 0.081 -4.709 188 H ARG 29 H ARG 29 2.662 2.201 -5.529 189 HA ARG 29 HA ARG 29 4.237 4.030 -3.902 190 HB2 ARG 29 1HB ARG 29 4.444 2.975 -6.699 191 HB3 ARG 29 2HB ARG 29 5.318 4.434 -6.251 192 HG2 ARG 29 1HG ARG 29 6.667 3.305 -4.726 193 HG3 ARG 29 2HG ARG 29 5.569 1.927 -4.635 194 HD2 ARG 29 1HD ARG 29 7.224 2.711 -7.032 195 HD3 ARG 29 2HD ARG 29 7.589 1.397 -5.915 196 HE ARG 29 HE ARG 29 4.994 1.107 -7.036 197 HH11 ARG 29 2HH1 ARG 29 8.380 0.704 -7.736 198 HH12 ARG 29 1HH1 ARG 29 8.123 -0.543 -8.911 199 HH21 ARG 29 2HH2 ARG 29 4.642 -0.533 -8.581 200 HH22 ARG 29 1HH2 ARG 29 5.996 -1.245 -9.391 201 H CYS 30 H CYS 30 4.465 6.262 -4.395 202 HA CYS 30 HA CYS 30 2.422 7.437 -6.129 203 HB2 CYS 30 1HB CYS 30 1.445 8.760 -4.500 204 HB3 CYS 30 2HB CYS 30 1.749 7.279 -3.602 205 HG CYS 30 HG CYS 30 2.325 9.390 -1.906 206 H GLU 31 H GLU 31 2.772 10.010 -5.930 207 HA GLU 31 HA GLU 31 5.662 10.538 -6.021 208 HB2 GLU 31 1HB GLU 31 4.606 10.160 -8.319 209 HB3 GLU 31 2HB GLU 31 3.748 11.671 -8.053 210 HG2 GLU 31 1HG GLU 31 5.550 12.429 -9.215 211 HG3 GLU 31 2HG GLU 31 6.155 12.588 -7.567 212 H LEU 32 H LEU 32 6.301 12.517 -5.284 213 HA LEU 32 HA LEU 32 4.182 14.371 -4.421 214 HB2 LEU 32 1HB LEU 32 6.730 14.027 -2.888 215 HB3 LEU 32 2HB LEU 32 5.204 14.732 -2.358 216 HG LEU 32 HG LEU 32 5.317 11.821 -3.012 217 HD11 LEU 32 1HD1 LEU 32 6.461 11.204 -1.182 218 HD12 LEU 32 2HD1 LEU 32 5.821 12.525 -0.206 219 HD13 LEU 32 3HD1 LEU 32 7.170 12.814 -1.305 220 HD21 LEU 32 3HD2 LEU 32 3.657 11.797 -1.130 221 HD22 LEU 32 1HD2 LEU 32 3.155 12.704 -2.557 222 HD23 LEU 32 2HD2 LEU 32 3.735 13.559 -1.128 223 H SER 33 H SER 33 4.553 16.527 -4.713 224 HA SER 33 HA SER 33 6.410 17.304 -6.687 225 HB2 SER 33 1HB SER 33 4.381 18.561 -6.456 226 HB3 SER 33 2HB SER 33 4.727 18.922 -4.765 227 HG SER 33 HG SER 33 6.472 20.194 -5.451 228 H ARG 34 H ARG 34 6.834 16.717 -3.408 229 HA ARG 34 HA ARG 34 9.519 17.797 -3.495 230 HB2 ARG 34 1HB ARG 34 8.306 19.723 -2.667 231 HB3 ARG 34 2HB ARG 34 7.499 18.738 -1.454 232 HG2 ARG 34 1HG ARG 34 9.959 18.241 -0.683 233 HG3 ARG 34 2HG ARG 34 10.289 19.760 -1.520 234 HD2 ARG 34 1HD ARG 34 8.380 20.746 -0.166 235 HD3 ARG 34 2HD ARG 34 8.444 19.276 0.804 236 HE ARG 34 HE ARG 34 11.006 20.491 0.588 237 HH11 ARG 34 2HH1 ARG 34 7.942 20.733 2.223 238 HH12 ARG 34 1HH1 ARG 34 8.602 21.518 3.620 239 HH21 ARG 34 2HH2 ARG 34 11.887 21.523 2.421 240 HH22 ARG 34 1HH2 ARG 34 10.846 21.967 3.731 241 H ALA 35 H ALA 35 10.902 16.515 -2.427 242 HA ALA 35 HA ALA 35 9.874 14.158 -1.118 243 HB1 ALA 35 3HB ALA 35 12.607 15.098 -1.900 244 HB2 ALA 35 1HB ALA 35 12.396 13.705 -0.839 245 HB3 ALA 35 2HB ALA 35 11.709 13.689 -2.464 246 H GLY 36 H GLY 36 10.212 13.544 1.023 247 HA2 GLY 36 1HA GLY 36 11.302 13.988 3.174 248 HA3 GLY 36 2HA GLY 36 11.123 15.701 2.825 249 H THR 37 H THR 37 8.433 15.547 1.847 250 HA THR 37 HA THR 37 7.041 15.780 4.305 251 HB THR 37 HB THR 37 5.999 15.683 1.469 252 HG1 THR 37 1HG THR 37 7.400 17.491 2.325 253 HG21 THR 37 3HG2 THR 37 3.908 15.731 2.240 254 HG22 THR 37 1HG2 THR 37 4.294 17.044 3.351 255 HG23 THR 37 2HG2 THR 37 4.544 15.369 3.844 256 HA PRO 38 HA PRO 38 6.131 11.434 4.779 257 HB2 PRO 38 1HB PRO 38 4.748 11.707 7.100 258 HB3 PRO 38 2HB PRO 38 6.514 11.753 7.022 259 HG2 PRO 38 1HG PRO 38 4.565 14.021 7.167 260 HG3 PRO 38 2HG PRO 38 6.099 13.807 8.030 261 HD2 PRO 38 1HD PRO 38 5.867 15.384 5.842 262 HD3 PRO 38 2HD PRO 38 7.356 14.497 6.225 263 H VAL 39 H VAL 39 4.362 10.124 4.434 264 HA VAL 39 HA VAL 39 1.887 11.512 3.664 265 HB VAL 39 HB VAL 39 3.178 10.041 1.996 266 HG11 VAL 39 1HG1 VAL 39 1.816 7.864 3.578 267 HG12 VAL 39 2HG1 VAL 39 2.735 7.664 2.085 268 HG13 VAL 39 3HG1 VAL 39 3.552 8.173 3.563 269 HG21 VAL 39 3HG2 VAL 39 0.265 10.038 2.573 270 HG22 VAL 39 1HG2 VAL 39 1.144 10.664 1.178 271 HG23 VAL 39 2HG2 VAL 39 0.860 8.931 1.336 272 H HIS 40 H HIS 40 -0.127 10.741 4.332 273 HA HIS 40 HA HIS 40 -0.033 9.058 6.741 274 HB2 HIS 40 1HB HIS 40 -0.991 11.512 6.668 275 HB3 HIS 40 2HB HIS 40 -2.421 10.711 6.023 276 HD1 HIS 40 1HD HIS 40 -2.179 12.154 8.856 277 HD2 HIS 40 2HD HIS 40 -2.055 8.062 8.145 278 HE1 HIS 40 1HE HIS 40 -2.866 11.074 11.021 279 HE2 HIS 40 2HE HIS 40 -2.700 8.598 10.592 280 H TRP 41 H TRP 41 -0.472 7.004 6.259 281 HA TRP 41 HA TRP 41 -2.300 6.341 4.102 282 HB2 TRP 41 1HB TRP 41 -0.626 4.620 5.941 283 HB3 TRP 41 2HB TRP 41 -1.668 3.981 4.672 284 HD1 TRP 41 HD TRP 41 1.685 5.670 5.221 285 HE1 TRP 41 1HE TRP 41 2.991 5.689 3.003 286 HE3 TRP 41 3HE TRP 41 -2.022 4.074 2.083 287 HZ2 TRP 41 2HZ TRP 41 2.513 5.105 0.283 288 HZ3 TRP 41 3HZ TRP 41 -1.516 3.831 -0.313 289 HH2 TRP 41 HH TRP 41 0.705 4.337 -1.192 290 H LEU 42 H LEU 42 -4.406 6.130 4.420 291 HA LEU 42 HA LEU 42 -5.352 5.291 7.082 292 HB2 LEU 42 1HB LEU 42 -6.686 7.131 5.102 293 HB3 LEU 42 2HB LEU 42 -7.409 6.571 6.609 294 HG LEU 42 HG LEU 42 -4.810 8.002 6.775 295 HD11 LEU 42 1HD1 LEU 42 -6.149 9.312 5.152 296 HD12 LEU 42 2HD1 LEU 42 -5.840 10.168 6.662 297 HD13 LEU 42 3HD1 LEU 42 -7.422 9.448 6.365 298 HD21 LEU 42 3HD2 LEU 42 -5.462 7.542 8.887 299 HD22 LEU 42 1HD2 LEU 42 -7.168 7.433 8.454 300 HD23 LEU 42 2HD2 LEU 42 -6.415 9.012 8.681 301 H LYS 43 H LYS 43 -6.633 3.549 7.186 302 HA LYS 43 HA LYS 43 -7.586 2.401 4.645 303 HB2 LYS 43 1HB LYS 43 -5.805 1.203 6.176 304 HB3 LYS 43 2HB LYS 43 -7.225 0.738 7.105 305 HG2 LYS 43 1HG LYS 43 -8.185 -0.186 4.974 306 HG3 LYS 43 2HG LYS 43 -6.603 0.080 4.239 307 HD2 LYS 43 1HD LYS 43 -5.606 -1.582 5.458 308 HD3 LYS 43 2HD LYS 43 -6.727 -1.411 6.811 309 HE2 LYS 43 1HE LYS 43 -7.796 -2.367 4.206 310 HE3 LYS 43 2HE LYS 43 -6.824 -3.483 5.164 311 HZ1 LYS 43 3HZ LYS 43 -9.120 -2.011 6.315 312 HZ2 LYS 43 1HZ LYS 43 -8.334 -3.377 6.933 313 HZ3 LYS 43 2HZ LYS 43 -9.305 -3.511 5.554 314 H ASP 44 H ASP 44 -9.673 2.955 4.468 315 HA ASP 44 HA ASP 44 -11.909 3.042 4.883 316 HB2 ASP 44 1HB ASP 44 -11.138 1.037 7.008 317 HB3 ASP 44 2HB ASP 44 -12.805 1.485 6.656 318 H ARG 45 H ARG 45 -10.436 5.128 5.867 319 HA ARG 45 HA ARG 45 -10.678 6.953 7.210 320 HB2 ARG 45 1HB ARG 45 -13.025 5.492 8.432 321 HB3 ARG 45 2HB ARG 45 -12.685 7.214 8.540 322 HG2 ARG 45 1HG ARG 45 -12.788 7.010 5.896 323 HG3 ARG 45 2HG ARG 45 -13.818 5.636 6.306 324 HD2 ARG 45 1HD ARG 45 -14.330 8.160 7.758 325 HD3 ARG 45 2HD ARG 45 -14.735 8.143 6.042 326 HE ARG 45 HE ARG 45 -16.463 6.695 6.488 327 HH11 ARG 45 2HH1 ARG 45 -14.401 6.956 9.281 328 HH12 ARG 45 1HH1 ARG 45 -15.490 6.105 10.326 329 HH21 ARG 45 2HH2 ARG 45 -17.905 5.574 7.854 330 HH22 ARG 45 1HH2 ARG 45 -17.482 5.319 9.513 331 H LYS 46 H LYS 46 -9.143 4.526 7.963 332 HA LYS 46 HA LYS 46 -9.086 4.909 10.884 333 HB2 LYS 46 1HB LYS 46 -8.659 2.698 11.192 334 HB3 LYS 46 2HB LYS 46 -9.483 2.562 9.645 335 HG2 LYS 46 1HG LYS 46 -7.407 2.412 8.473 336 HG3 LYS 46 2HG LYS 46 -6.497 2.780 9.941 337 HD2 LYS 46 1HD LYS 46 -6.475 0.375 9.379 338 HD3 LYS 46 2HD LYS 46 -7.210 0.702 10.950 339 HE2 LYS 46 1HE LYS 46 -9.440 0.589 9.877 340 HE3 LYS 46 2HE LYS 46 -8.656 0.147 8.361 341 HZ1 LYS 46 3HZ LYS 46 -8.193 -1.928 9.098 342 HZ2 LYS 46 1HZ LYS 46 -9.557 -1.647 10.059 343 HZ3 LYS 46 2HZ LYS 46 -8.008 -1.455 10.712 344 H ALA 47 H ALA 47 -6.955 4.796 11.901 345 HA ALA 47 HA ALA 47 -4.971 6.187 10.270 346 HB1 ALA 47 3HB ALA 47 -3.875 6.684 12.421 347 HB2 ALA 47 1HB ALA 47 -5.552 7.227 12.373 348 HB3 ALA 47 2HB ALA 47 -5.126 5.758 13.250 349 H ILE 48 H ILE 48 -3.461 5.018 9.295 350 HA ILE 48 HA ILE 48 -2.751 2.387 10.320 351 HB ILE 48 HB ILE 48 -1.765 3.757 7.817 352 HG12 ILE 48 1HG1 ILE 48 -4.065 1.837 8.236 353 HG13 ILE 48 2HG1 ILE 48 -4.173 3.507 7.691 354 HG21 ILE 48 1HG2 ILE 48 -0.448 1.995 7.524 355 HG22 ILE 48 2HG2 ILE 48 -0.901 1.432 9.132 356 HG23 ILE 48 3HG2 ILE 48 -1.811 0.894 7.721 357 HD11 ILE 48 3HD1 ILE 48 -2.564 2.540 5.794 358 HD12 ILE 48 1HD1 ILE 48 -3.443 1.068 6.207 359 HD13 ILE 48 2HD1 ILE 48 -4.323 2.504 5.681 360 H ARG 49 H ARG 49 -0.739 1.794 11.036 361 HA ARG 49 HA ARG 49 1.237 3.956 11.351 362 HB2 ARG 49 1HB ARG 49 0.480 1.811 13.340 363 HB3 ARG 49 2HB ARG 49 1.874 2.869 13.515 364 HG2 ARG 49 1HG ARG 49 0.142 4.781 13.291 365 HG3 ARG 49 2HG ARG 49 -1.032 3.529 13.700 366 HD2 ARG 49 1HD ARG 49 0.569 3.008 15.664 367 HD3 ARG 49 2HD ARG 49 1.228 4.611 15.339 368 HE ARG 49 HE ARG 49 -1.588 4.732 15.557 369 HH11 ARG 49 2HH1 ARG 49 1.292 4.350 17.476 370 HH12 ARG 49 1HH1 ARG 49 0.586 5.028 18.906 371 HH21 ARG 49 2HH2 ARG 49 -2.528 5.626 17.433 372 HH22 ARG 49 1HH2 ARG 49 -1.587 5.752 18.881 373 H LYS 50 H LYS 50 3.252 3.514 10.699 374 HA LYS 50 HA LYS 50 3.891 1.366 9.099 375 HB2 LYS 50 1HB LYS 50 5.241 3.370 9.111 376 HB3 LYS 50 2HB LYS 50 5.716 3.090 10.781 377 HG2 LYS 50 1HG LYS 50 7.025 1.198 10.175 378 HG3 LYS 50 2HG LYS 50 6.390 1.215 8.528 379 HD2 LYS 50 1HD LYS 50 8.425 2.243 8.225 380 HD3 LYS 50 2HD LYS 50 7.383 3.641 8.498 381 HE2 LYS 50 1HE LYS 50 9.218 4.051 9.872 382 HE3 LYS 50 2HE LYS 50 8.023 3.368 10.974 383 HZ1 LYS 50 3HZ LYS 50 10.606 2.440 10.431 384 HZ2 LYS 50 1HZ LYS 50 9.515 1.267 9.885 385 HZ3 LYS 50 2HZ LYS 50 9.462 1.789 11.493 386 H SER 51 H SER 51 4.089 -0.725 9.509 387 HA SER 51 HA SER 51 5.478 -1.626 11.897 388 HB2 SER 51 1HB SER 51 2.559 -1.995 11.440 389 HB3 SER 51 2HB SER 51 3.456 -3.365 12.095 390 HG SER 51 HG SER 51 2.512 -1.677 13.590 391 H GLN 52 H GLN 52 5.671 -4.090 11.859 392 HA GLN 52 HA GLN 52 7.099 -4.985 9.761 393 HB2 GLN 52 1HB GLN 52 5.175 -6.673 11.370 394 HB3 GLN 52 2HB GLN 52 6.521 -7.287 10.420 395 HG2 GLN 52 1HG GLN 52 6.739 -5.465 12.807 396 HG3 GLN 52 2HG GLN 52 7.052 -7.200 12.796 397 HE21 GLN 52 1HE2 GLN 52 8.924 -5.317 13.623 398 HE22 GLN 52 2HE2 GLN 52 10.247 -5.324 12.513 399 H LYS 53 H LYS 53 3.579 -5.074 10.012 400 HA LYS 53 HA LYS 53 3.181 -6.488 7.567 401 HB2 LYS 53 1HB LYS 53 1.403 -6.654 9.085 402 HB3 LYS 53 2HB LYS 53 1.396 -4.925 9.409 403 HG2 LYS 53 1HG LYS 53 -0.528 -5.375 8.125 404 HG3 LYS 53 2HG LYS 53 0.623 -4.596 7.036 405 HD2 LYS 53 1HD LYS 53 -0.234 -6.385 5.791 406 HD3 LYS 53 2HD LYS 53 1.323 -6.972 6.380 407 HE2 LYS 53 1HE LYS 53 -1.136 -7.482 7.992 408 HE3 LYS 53 2HE LYS 53 -0.832 -8.460 6.556 409 HZ1 LYS 53 3HZ LYS 53 0.576 -8.414 9.101 410 HZ2 LYS 53 1HZ LYS 53 1.540 -8.593 7.723 411 HZ3 LYS 53 2HZ LYS 53 0.301 -9.700 8.038 412 H TYR 54 H TYR 54 2.510 -3.092 8.440 413 HA TYR 54 HA TYR 54 2.518 -2.388 5.608 414 HB2 TYR 54 1HB TYR 54 1.876 -0.675 8.017 415 HB3 TYR 54 2HB TYR 54 1.625 -0.233 6.332 416 HD1 TYR 54 2HD TYR 54 0.240 -2.225 5.028 417 HD2 TYR 54 1HD TYR 54 -0.044 -1.223 9.153 418 HE1 TYR 54 2HE TYR 54 -2.016 -3.202 5.104 419 HE2 TYR 54 1HE TYR 54 -2.300 -2.198 9.241 420 HH TYR 54 HH TYR 54 -3.844 -3.371 8.138 421 H ASP 55 H ASP 55 4.587 -2.261 4.909 422 HA ASP 55 HA ASP 55 6.581 -0.858 6.501 423 HB2 ASP 55 1HB ASP 55 6.998 -2.044 3.761 424 HB3 ASP 55 2HB ASP 55 8.203 -1.723 5.005 425 H VAL 56 H VAL 56 6.516 1.292 6.394 426 HA VAL 56 HA VAL 56 5.634 2.650 3.990 427 HB VAL 56 HB VAL 56 6.634 3.811 6.594 428 HG11 VAL 56 1HG1 VAL 56 6.684 5.206 4.420 429 HG12 VAL 56 2HG1 VAL 56 4.927 5.231 4.585 430 HG13 VAL 56 3HG1 VAL 56 5.943 5.903 5.860 431 HG21 VAL 56 3HG2 VAL 56 4.697 2.752 7.241 432 HG22 VAL 56 1HG2 VAL 56 4.070 4.322 6.739 433 HG23 VAL 56 2HG2 VAL 56 3.940 2.935 5.658 434 H VAL 57 H VAL 57 7.034 2.870 2.372 435 HA VAL 57 HA VAL 57 9.861 3.390 3.001 436 HB VAL 57 HB VAL 57 8.674 2.435 0.392 437 HG11 VAL 57 1HG1 VAL 57 10.743 3.694 0.108 438 HG12 VAL 57 2HG1 VAL 57 11.544 2.664 1.296 439 HG13 VAL 57 3HG1 VAL 57 10.995 1.984 -0.237 440 HG21 VAL 57 3HG2 VAL 57 8.549 0.837 2.358 441 HG22 VAL 57 1HG2 VAL 57 9.402 0.254 0.928 442 HG23 VAL 57 2HG2 VAL 57 10.312 0.818 2.330 443 H CYS 58 H CYS 58 9.704 5.617 3.322 444 HA CYS 58 HA CYS 58 8.601 7.275 1.205 445 HB2 CYS 58 1HB CYS 58 8.126 7.976 3.461 446 HB3 CYS 58 2HB CYS 58 9.834 7.947 3.881 447 HG CYS 58 HG CYS 58 9.902 10.512 3.625 448 H GLU 59 H GLU 59 9.975 7.042 -0.532 449 HA GLU 59 HA GLU 59 12.790 7.779 -0.121 450 HB2 GLU 59 1HB GLU 59 11.424 6.321 -2.385 451 HB3 GLU 59 2HB GLU 59 13.107 6.828 -2.428 452 HG2 GLU 59 1HG GLU 59 12.156 5.160 -0.154 453 HG3 GLU 59 2HG GLU 59 12.452 4.402 -1.717 454 H GLY 60 H GLY 60 13.679 8.801 -2.322 455 HA2 GLY 60 1HA GLY 60 13.051 11.413 -2.450 456 HA3 GLY 60 2HA GLY 60 13.586 10.526 -3.870 457 H THR 61 H THR 61 10.909 11.981 -2.238 458 HA THR 61 HA THR 61 8.732 12.350 -2.825 459 HB THR 61 HB THR 61 8.381 12.962 -5.225 460 HG1 THR 61 1HG THR 61 10.597 13.086 -6.332 461 HG21 THR 61 3HG2 THR 61 9.680 14.339 -3.286 462 HG22 THR 61 1HG2 THR 61 9.288 15.001 -4.872 463 HG23 THR 61 2HG2 THR 61 10.896 14.345 -4.563 464 H MET 62 H MET 62 9.156 9.677 -2.383 465 HA MET 62 HA MET 62 7.153 8.511 -4.137 466 HB2 MET 62 1HB MET 62 9.255 7.915 -5.236 467 HB3 MET 62 2HB MET 62 9.866 7.239 -3.732 468 HG2 MET 62 1HG MET 62 7.663 5.782 -3.930 469 HG3 MET 62 2HG MET 62 7.883 6.147 -5.640 470 HE1 MET 62 3HE MET 62 9.279 3.282 -2.969 471 HE2 MET 62 1HE MET 62 10.783 4.188 -2.802 472 HE3 MET 62 2HE MET 62 9.240 4.971 -2.464 473 H ALA 63 H ALA 63 5.670 8.045 -2.632 474 HA ALA 63 HA ALA 63 6.535 6.800 -0.118 475 HB1 ALA 63 3HB ALA 63 4.567 7.564 0.874 476 HB2 ALA 63 1HB ALA 63 5.044 8.886 -0.193 477 HB3 ALA 63 2HB ALA 63 3.757 7.780 -0.678 478 H MET 64 H MET 64 6.671 4.647 -0.380 479 HA MET 64 HA MET 64 4.455 3.271 -1.743 480 HB2 MET 64 1HB MET 64 6.737 2.925 -2.679 481 HB3 MET 64 2HB MET 64 7.224 2.217 -1.145 482 HG2 MET 64 1HG MET 64 5.719 0.388 -1.429 483 HG3 MET 64 2HG MET 64 4.992 1.142 -2.846 484 HE1 MET 64 3HE MET 64 9.290 -0.343 -2.551 485 HE2 MET 64 1HE MET 64 8.240 0.234 -1.256 486 HE3 MET 64 2HE MET 64 8.070 -1.414 -1.861 487 H LEU 65 H LEU 65 3.297 1.710 -0.710 488 HA LEU 65 HA LEU 65 3.998 1.174 2.101 489 HB2 LEU 65 1HB LEU 65 2.089 2.624 2.045 490 HB3 LEU 65 2HB LEU 65 1.285 1.594 0.862 491 HG LEU 65 HG LEU 65 1.351 -0.203 2.716 492 HD11 LEU 65 1HD1 LEU 65 2.420 2.130 4.097 493 HD12 LEU 65 2HD1 LEU 65 2.467 0.425 4.544 494 HD13 LEU 65 3HD1 LEU 65 1.044 1.396 4.921 495 HD21 LEU 65 3HD2 LEU 65 -0.426 2.160 2.453 496 HD22 LEU 65 1HD2 LEU 65 -0.654 1.108 3.849 497 HD23 LEU 65 2HD2 LEU 65 -0.774 0.446 2.219 498 H VAL 66 H VAL 66 4.761 -0.846 2.132 499 HA VAL 66 HA VAL 66 3.766 -2.879 0.340 500 HB VAL 66 HB VAL 66 5.665 -3.249 2.655 501 HG11 VAL 66 1HG1 VAL 66 6.335 -5.245 1.596 502 HG12 VAL 66 2HG1 VAL 66 4.571 -5.252 1.546 503 HG13 VAL 66 3HG1 VAL 66 5.494 -4.828 0.103 504 HG21 VAL 66 3HG2 VAL 66 6.093 -2.132 -0.072 505 HG22 VAL 66 1HG2 VAL 66 6.840 -1.685 1.462 506 HG23 VAL 66 2HG2 VAL 66 7.347 -3.155 0.629 507 H ILE 67 H ILE 67 2.234 -4.339 0.751 508 HA ILE 67 HA ILE 67 1.204 -4.520 3.505 509 HB ILE 67 HB ILE 67 -0.252 -5.051 0.912 510 HG12 ILE 67 1HG1 ILE 67 -1.042 -2.924 2.849 511 HG13 ILE 67 2HG1 ILE 67 0.344 -2.619 1.808 512 HG21 ILE 67 1HG2 ILE 67 -1.916 -5.992 2.063 513 HG22 ILE 67 2HG2 ILE 67 -0.757 -6.155 3.381 514 HG23 ILE 67 3HG2 ILE 67 -1.844 -4.767 3.330 515 HD11 ILE 67 3HD1 ILE 67 -2.525 -2.849 1.137 516 HD12 ILE 67 1HD1 ILE 67 -1.288 -1.768 0.495 517 HD13 ILE 67 2HD1 ILE 67 -1.361 -3.445 -0.046 518 H ARG 68 H ARG 68 2.962 -6.114 3.828 519 HA ARG 68 HA ARG 68 3.362 -8.477 2.544 520 HB2 ARG 68 1HB ARG 68 3.358 -7.869 5.494 521 HB3 ARG 68 2HB ARG 68 3.832 -9.442 4.867 522 HG2 ARG 68 1HG ARG 68 5.126 -6.926 3.884 523 HG3 ARG 68 2HG ARG 68 5.664 -7.724 5.364 524 HD2 ARG 68 1HD ARG 68 5.880 -9.836 3.989 525 HD3 ARG 68 2HD ARG 68 5.642 -8.825 2.564 526 HE ARG 68 HE ARG 68 7.689 -7.665 4.019 527 HH11 ARG 68 2HH1 ARG 68 7.080 -10.693 2.411 528 HH12 ARG 68 1HH1 ARG 68 8.747 -10.978 2.036 529 HH21 ARG 68 2HH2 ARG 68 9.887 -8.030 3.531 530 HH22 ARG 68 1HH2 ARG 68 10.343 -9.464 2.674 531 H GLY 69 H GLY 69 2.383 -10.438 2.356 532 HA2 GLY 69 1HA GLY 69 0.527 -11.804 2.148 533 HA3 GLY 69 2HA GLY 69 0.557 -11.698 3.902 534 H ALA 70 H ALA 70 -0.770 -10.237 0.978 535 HA ALA 70 HA ALA 70 -2.745 -8.760 2.523 536 HB1 ALA 70 3HB ALA 70 -1.506 -7.964 0.374 537 HB2 ALA 70 1HB ALA 70 -2.753 -8.891 -0.461 538 HB3 ALA 70 2HB ALA 70 -3.207 -7.563 0.607 539 H SER 71 H SER 71 -4.279 -10.077 3.341 540 HA SER 71 HA SER 71 -5.447 -12.148 1.638 541 HB2 SER 71 1HB SER 71 -5.654 -11.577 4.597 542 HB3 SER 71 2HB SER 71 -6.640 -12.794 3.787 543 HG SER 71 HG SER 71 -4.321 -13.209 4.771 544 H LEU 72 H LEU 72 -7.884 -12.433 1.900 545 HA LEU 72 HA LEU 72 -9.293 -10.494 0.668 546 HB2 LEU 72 1HB LEU 72 -10.459 -12.174 2.879 547 HB3 LEU 72 2HB LEU 72 -11.316 -11.475 1.507 548 HG LEU 72 HG LEU 72 -9.228 -13.645 1.314 549 HD11 LEU 72 1HD1 LEU 72 -12.051 -14.184 0.661 550 HD12 LEU 72 2HD1 LEU 72 -11.672 -13.994 2.372 551 HD13 LEU 72 3HD1 LEU 72 -10.838 -15.218 1.416 552 HD21 LEU 72 3HD2 LEU 72 -9.337 -13.441 -0.904 553 HD22 LEU 72 1HD2 LEU 72 -10.095 -11.874 -0.616 554 HD23 LEU 72 2HD2 LEU 72 -11.096 -13.301 -0.886 555 H LYS 73 H LYS 73 -8.661 -10.684 4.129 556 HA LYS 73 HA LYS 73 -10.356 -8.589 4.942 557 HB2 LYS 73 1HB LYS 73 -9.013 -10.369 6.325 558 HB3 LYS 73 2HB LYS 73 -7.760 -9.135 6.333 559 HG2 LYS 73 1HG LYS 73 -10.530 -8.402 7.151 560 HG3 LYS 73 2HG LYS 73 -9.493 -9.284 8.275 561 HD2 LYS 73 1HD LYS 73 -7.933 -7.552 8.381 562 HD3 LYS 73 2HD LYS 73 -8.513 -6.813 6.886 563 HE2 LYS 73 1HE LYS 73 -10.101 -6.962 9.445 564 HE3 LYS 73 2HE LYS 73 -9.142 -5.568 8.951 565 HZ1 LYS 73 3HZ LYS 73 -11.024 -6.536 6.973 566 HZ2 LYS 73 1HZ LYS 73 -10.665 -4.951 7.444 567 HZ3 LYS 73 2HZ LYS 73 -11.728 -5.887 8.368 568 H ASP 74 H ASP 74 -6.842 -8.571 4.332 569 HA ASP 74 HA ASP 74 -6.185 -5.992 4.773 570 HB2 ASP 74 1HB ASP 74 -5.345 -7.770 2.484 571 HB3 ASP 74 2HB ASP 74 -4.614 -6.194 2.778 572 H ALA 75 H ALA 75 -7.858 -7.206 1.900 573 HA ALA 75 HA ALA 75 -7.911 -5.102 0.216 574 HB1 ALA 75 3HB ALA 75 -10.170 -5.779 -0.464 575 HB2 ALA 75 1HB ALA 75 -9.106 -7.167 -0.233 576 HB3 ALA 75 2HB ALA 75 -10.306 -6.762 0.994 577 H GLY 76 H GLY 76 -8.289 -3.001 0.437 578 HA2 GLY 76 1HA GLY 76 -10.635 -1.952 1.621 579 HA3 GLY 76 2HA GLY 76 -9.286 -1.782 2.735 580 H GLU 77 H GLU 77 -10.515 0.468 1.897 581 HA GLU 77 HA GLU 77 -9.197 1.567 -0.419 582 HB2 GLU 77 1HB GLU 77 -11.558 2.127 0.651 583 HB3 GLU 77 2HB GLU 77 -10.609 3.292 1.563 584 HG2 GLU 77 1HG GLU 77 -11.178 4.595 -0.197 585 HG3 GLU 77 2HG GLU 77 -9.699 3.889 -0.847 586 H TYR 78 H TYR 78 -7.331 2.638 -0.469 587 HA TYR 78 HA TYR 78 -6.068 3.328 2.097 588 HB2 TYR 78 1HB TYR 78 -4.929 2.557 -0.581 589 HB3 TYR 78 2HB TYR 78 -3.946 3.366 0.635 590 HD1 TYR 78 2HD TYR 78 -5.692 0.269 -0.250 591 HD2 TYR 78 1HD TYR 78 -3.284 2.217 2.667 592 HE1 TYR 78 2HE TYR 78 -5.235 -1.901 0.814 593 HE2 TYR 78 1HE TYR 78 -2.820 0.053 3.739 594 HH TYR 78 HH TYR 78 -4.470 -2.870 2.766 595 H THR 79 H THR 79 -6.316 5.406 2.577 596 HA THR 79 HA THR 79 -6.289 7.389 0.410 597 HB THR 79 HB THR 79 -7.221 7.686 3.272 598 HG1 THR 79 1HG THR 79 -9.297 7.879 2.137 599 HG21 THR 79 3HG2 THR 79 -7.308 9.892 2.958 600 HG22 THR 79 1HG2 THR 79 -8.159 9.693 1.426 601 HG23 THR 79 2HG2 THR 79 -6.396 9.661 1.467 602 H CYS 80 H CYS 80 -4.350 8.241 0.042 603 HA CYS 80 HA CYS 80 -2.387 8.429 2.176 604 HB2 CYS 80 1HB CYS 80 -2.340 8.595 -0.788 605 HB3 CYS 80 2HB CYS 80 -1.121 9.526 0.074 606 HG CYS 80 HG CYS 80 -0.190 7.231 1.496 607 H GLU 81 H GLU 81 -3.417 10.035 3.460 608 HA GLU 81 HA GLU 81 -4.029 12.619 2.397 609 HB2 GLU 81 1HB GLU 81 -4.890 11.366 4.570 610 HB3 GLU 81 2HB GLU 81 -3.538 12.209 5.311 611 HG2 GLU 81 1HG GLU 81 -4.508 14.323 4.265 612 HG3 GLU 81 2HG GLU 81 -5.963 13.368 3.987 613 H VAL 82 H VAL 82 -2.389 13.772 1.571 614 HA VAL 82 HA VAL 82 0.183 13.846 2.953 615 HB VAL 82 HB VAL 82 -0.105 13.599 0.398 616 HG11 VAL 82 1HG1 VAL 82 -1.050 15.250 -0.745 617 HG12 VAL 82 2HG1 VAL 82 -1.392 16.078 0.775 618 HG13 VAL 82 3HG1 VAL 82 0.109 16.406 -0.091 619 HG21 VAL 82 3HG2 VAL 82 1.780 15.812 0.889 620 HG22 VAL 82 1HG2 VAL 82 1.948 14.409 1.945 621 HG23 VAL 82 2HG2 VAL 82 2.059 14.214 0.196 622 H GLU 83 H GLU 83 1.250 16.166 2.732 623 HA GLU 83 HA GLU 83 0.509 17.815 4.647 624 HB2 GLU 83 1HB GLU 83 1.109 19.761 2.892 625 HB3 GLU 83 2HB GLU 83 2.320 18.715 3.621 626 HG2 GLU 83 1HG GLU 83 2.697 17.568 1.696 627 HG3 GLU 83 2HG GLU 83 1.055 17.803 1.102 628 H ALA 84 H ALA 84 -0.626 18.635 1.369 629 HA ALA 84 HA ALA 84 -3.117 19.631 2.591 630 HB1 ALA 84 3HB ALA 84 -3.237 21.319 0.893 631 HB2 ALA 84 1HB ALA 84 -1.640 21.391 1.639 632 HB3 ALA 84 2HB ALA 84 -1.842 20.641 0.055 633 H SER 85 H SER 85 -1.688 17.979 -0.180 634 HA SER 85 HA SER 85 -4.220 17.446 -1.427 635 HB2 SER 85 1HB SER 85 -1.373 16.782 -1.979 636 HB3 SER 85 2HB SER 85 -2.596 15.720 -2.676 637 HG SER 85 HG SER 85 -1.875 17.691 -3.900 638 H LYS 86 H LYS 86 -4.328 14.911 -2.156 639 HA LYS 86 HA LYS 86 -3.721 12.959 -0.231 640 HB2 LYS 86 1HB LYS 86 -5.243 13.916 1.283 641 HB3 LYS 86 2HB LYS 86 -6.408 14.284 0.017 642 HG2 LYS 86 1HG LYS 86 -6.647 11.763 -0.263 643 HG3 LYS 86 2HG LYS 86 -5.789 11.633 1.274 644 HD2 LYS 86 1HD LYS 86 -7.919 11.690 2.074 645 HD3 LYS 86 2HD LYS 86 -7.622 13.428 1.990 646 HE2 LYS 86 1HE LYS 86 -8.657 13.442 -0.265 647 HE3 LYS 86 2HE LYS 86 -9.045 11.734 -0.060 648 HZ1 LYS 86 3HZ LYS 86 -10.203 12.545 2.076 649 HZ2 LYS 86 1HZ LYS 86 -10.975 12.784 0.590 650 HZ3 LYS 86 2HZ LYS 86 -10.170 14.068 1.341 651 H SER 87 H SER 87 -4.196 10.920 -0.963 652 HA SER 87 HA SER 87 -5.641 10.785 -3.528 653 HB2 SER 87 1HB SER 87 -3.214 10.306 -3.705 654 HB3 SER 87 2HB SER 87 -3.410 8.982 -2.557 655 HG SER 87 HG SER 87 -4.094 7.783 -4.130 656 H THR 88 H THR 88 -6.519 8.540 -3.987 657 HA THR 88 HA THR 88 -7.288 7.003 -1.651 658 HB THR 88 HB THR 88 -9.473 8.155 -3.386 659 HG1 THR 88 1HG THR 88 -9.819 9.301 -1.194 660 HG21 THR 88 3HG2 THR 88 -10.876 6.860 -2.220 661 HG22 THR 88 1HG2 THR 88 -10.128 7.302 -0.685 662 HG23 THR 88 2HG2 THR 88 -9.447 5.995 -1.654 663 H ALA 89 H ALA 89 -7.229 4.923 -2.175 664 HA ALA 89 HA ALA 89 -8.020 4.093 -4.873 665 HB1 ALA 89 3HB ALA 89 -5.736 2.577 -3.909 666 HB2 ALA 89 1HB ALA 89 -6.017 3.325 -5.482 667 HB3 ALA 89 2HB ALA 89 -5.365 4.284 -4.152 668 H SER 90 H SER 90 -8.504 1.801 -5.040 669 HA SER 90 HA SER 90 -9.280 0.636 -2.446 670 HB2 SER 90 1HB SER 90 -11.333 1.081 -3.441 671 HB3 SER 90 2HB SER 90 -10.727 0.774 -5.068 672 HG SER 90 HG SER 90 -11.230 -1.254 -4.853 673 H LEU 91 H LEU 91 -8.610 -1.375 -1.992 674 HA LEU 91 HA LEU 91 -7.025 -2.763 -4.034 675 HB2 LEU 91 1HB LEU 91 -5.692 -2.473 -2.164 676 HB3 LEU 91 2HB LEU 91 -7.025 -2.752 -1.046 677 HG LEU 91 HG LEU 91 -6.961 -5.173 -1.753 678 HD11 LEU 91 1HD1 LEU 91 -5.224 -6.032 -3.008 679 HD12 LEU 91 2HD1 LEU 91 -4.197 -4.623 -2.748 680 HD13 LEU 91 3HD1 LEU 91 -5.573 -4.520 -3.846 681 HD21 LEU 91 3HD2 LEU 91 -5.378 -5.707 -0.143 682 HD22 LEU 91 1HD2 LEU 91 -5.853 -4.068 0.304 683 HD23 LEU 91 2HD2 LEU 91 -4.341 -4.342 -0.563 684 H HIS 92 H HIS 92 -7.481 -4.808 -4.696 685 HA HIS 92 HA HIS 92 -9.931 -6.034 -3.608 686 HB2 HIS 92 1HB HIS 92 -8.908 -6.459 -6.411 687 HB3 HIS 92 2HB HIS 92 -10.509 -6.815 -5.769 688 HD1 HIS 92 1HD HIS 92 -12.007 -4.654 -5.196 689 HD2 HIS 92 2HD HIS 92 -8.649 -3.994 -7.552 690 HE1 HIS 92 1HE HIS 92 -12.368 -2.407 -6.266 691 HE2 HIS 92 2HE HIS 92 -10.363 -2.067 -7.753 692 H VAL 93 H VAL 93 -9.940 -8.211 -3.179 693 HA VAL 93 HA VAL 93 -7.514 -9.751 -3.749 694 HB VAL 93 HB VAL 93 -8.723 -9.432 -1.001 695 HG11 VAL 93 1HG1 VAL 93 -6.448 -11.244 -1.779 696 HG12 VAL 93 2HG1 VAL 93 -7.250 -11.125 -0.211 697 HG13 VAL 93 3HG1 VAL 93 -8.113 -11.795 -1.596 698 HG21 VAL 93 3HG2 VAL 93 -6.579 -8.129 -2.347 699 HG22 VAL 93 1HG2 VAL 93 -7.143 -7.903 -0.691 700 HG23 VAL 93 2HG2 VAL 93 -5.909 -9.112 -1.045 701 H GLU 94 H GLU 94 -8.137 -11.533 -4.760 702 HA GLU 94 HA GLU 94 -10.472 -12.993 -3.761 703 HB2 GLU 94 1HB GLU 94 -9.989 -12.200 -6.633 704 HB3 GLU 94 2HB GLU 94 -11.116 -13.463 -6.160 705 HG2 GLU 94 1HG GLU 94 -12.122 -11.604 -4.637 706 HG3 GLU 94 2HG GLU 94 -11.289 -10.518 -5.747 707 H GLU 95 H GLU 95 -10.148 -15.129 -3.607 708 HA GLU 95 HA GLU 95 -7.560 -16.192 -4.267 709 HB2 GLU 95 1HB GLU 95 -9.159 -16.737 -2.244 710 HB3 GLU 95 2HB GLU 95 -9.828 -17.917 -3.362 711 HG2 GLU 95 1HG GLU 95 -7.396 -18.685 -3.677 712 HG3 GLU 95 2HG GLU 95 -7.076 -17.779 -2.199 713 H LYS 96 H LYS 96 -7.048 -17.738 -5.777 714 HA LYS 96 HA LYS 96 -8.518 -17.758 -8.178 715 HB2 LYS 96 1HB LYS 96 -6.877 -19.271 -9.007 716 HB3 LYS 96 2HB LYS 96 -6.043 -18.163 -7.925 717 HG2 LYS 96 1HG LYS 96 -7.036 -20.799 -6.925 718 HG3 LYS 96 2HG LYS 96 -5.510 -20.681 -7.804 719 HD2 LYS 96 1HD LYS 96 -5.024 -18.751 -6.104 720 HD3 LYS 96 2HD LYS 96 -6.262 -19.560 -5.139 721 HE2 LYS 96 1HE LYS 96 -4.076 -21.201 -6.317 722 HE3 LYS 96 2HE LYS 96 -3.706 -20.189 -4.921 723 HZ1 LYS 96 3HZ LYS 96 -4.479 -22.573 -4.510 724 HZ2 LYS 96 1HZ LYS 96 -6.026 -22.015 -4.904 725 HZ3 LYS 96 2HZ LYS 96 -5.196 -21.346 -3.591 726 H ALA 97 H ALA 97 -9.332 -19.724 -9.282 727 HA ALA 97 HA ALA 97 -10.091 -22.028 -7.819 728 HB1 ALA 97 3HB ALA 97 -12.645 -21.407 -8.147 729 HB2 ALA 97 1HB ALA 97 -11.763 -20.985 -6.678 730 HB3 ALA 97 2HB ALA 97 -12.017 -19.772 -7.935 731 H SER 98 H SER 98 -11.655 -23.399 -9.085 732 HA SER 98 HA SER 98 -11.132 -23.018 -11.950 733 HB2 SER 98 1HB SER 98 -11.608 -25.463 -12.131 734 HB3 SER 98 2HB SER 98 -10.244 -25.097 -11.075 735 HG SER 98 HG SER 98 -11.663 -25.342 -9.295 736 H GLY 99 H GLY 99 -12.814 -21.794 -12.672 737 HA2 GLY 99 1HA GLY 99 -14.941 -21.323 -13.397 738 HA3 GLY 99 2HA GLY 99 -15.273 -23.039 -13.214 739 HA PRO 100 HA PRO 100 -17.501 -20.336 -9.983 740 HB2 PRO 100 1HB PRO 100 -19.989 -20.381 -11.067 741 HB3 PRO 100 2HB PRO 100 -18.807 -19.117 -11.427 742 HG2 PRO 100 1HG PRO 100 -19.533 -21.541 -13.026 743 HG3 PRO 100 2HG PRO 100 -19.252 -19.880 -13.578 744 HD2 PRO 100 1HD PRO 100 -17.381 -21.825 -13.800 745 HD3 PRO 100 2HD PRO 100 -16.960 -20.120 -13.537 746 H SER 101 H SER 101 -17.614 -23.391 -11.385 747 HA SER 101 HA SER 101 -19.396 -24.389 -9.260 748 HB2 SER 101 1HB SER 101 -19.003 -25.316 -12.096 749 HB3 SER 101 2HB SER 101 -19.646 -26.404 -10.866 750 HG SER 101 HG SER 101 -21.244 -24.707 -10.470 751 H SER 102 H SER 102 -17.764 -24.700 -7.748 752 HA SER 102 HA SER 102 -15.768 -26.754 -8.445 753 HB2 SER 102 1HB SER 102 -14.729 -24.596 -7.909 754 HB3 SER 102 2HB SER 102 -15.569 -24.567 -6.359 755 HG SER 102 HG SER 102 -14.010 -26.803 -6.953 756 H GLY 103 H GLY 103 -16.806 -28.593 -7.822 757 HA2 GLY 103 1HA GLY 103 -17.878 -28.685 -5.079 758 HA3 GLY 103 2HA GLY 103 -18.327 -29.782 -6.376
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