NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
6736 | 1jfn | 5075 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 HT1 ALA 1 24.876 -5.107 -12.756 2 2H ALA 1 HT2 ALA 1 23.421 -4.792 -11.939 3 3H ALA 1 HT3 ALA 1 24.882 -4.154 -11.354 4 HA ALA 1 HA ALA 1 25.034 -2.950 -13.602 5 1HB ALA 1 HB1 ALA 1 22.530 -4.447 -13.662 6 2HB ALA 1 HB2 ALA 1 23.390 -3.666 -14.988 7 3HB ALA 1 HB3 ALA 1 22.273 -2.734 -13.991 8 H ARG 2 HN ARG 2 22.090 -2.899 -11.552 9 HA ARG 2 HA ARG 2 23.029 -0.308 -10.391 10 1HB ARG 2 HB2 ARG 2 20.868 0.681 -10.880 11 2HB ARG 2 HB1 ARG 2 21.491 -0.016 -12.376 12 1HG ARG 2 HG2 ARG 2 20.153 -2.150 -11.282 13 2HG ARG 2 HG1 ARG 2 19.140 -0.794 -10.782 14 1HD ARG 2 HD2 ARG 2 19.246 0.003 -13.220 15 2HD ARG 2 HD1 ARG 2 19.907 -1.600 -13.600 16 HE ARG 2 HE ARG 2 17.289 -1.247 -12.185 17 1HH1 ARG 2 HH11 ARG 2 19.404 -3.543 -13.359 18 2HH1 ARG 2 HH12 ARG 2 18.244 -4.383 -14.333 19 1HH2 ARG 2 HH21 ARG 2 15.765 -1.997 -13.913 20 2HH2 ARG 2 HH22 ARG 2 16.185 -3.509 -14.646 21 H ILE 3 HN ILE 3 22.635 -0.204 -8.201 22 HA ILE 3 HA ILE 3 20.515 -1.911 -7.004 23 HB ILE 3 HB ILE 3 22.454 -3.342 -7.016 24 1HG1 ILE 3 HG12 ILE 3 23.041 -2.656 -4.317 25 2HG1 ILE 3 HG11 ILE 3 21.338 -2.283 -4.589 26 1HG2 ILE 3 HG21 ILE 3 24.211 -1.781 -7.486 27 2HG2 ILE 3 HG22 ILE 3 24.595 -2.499 -5.922 28 3HG2 ILE 3 HG23 ILE 3 23.896 -0.882 -6.002 29 1HD1 ILE 3 HD11 ILE 3 21.015 -4.500 -4.200 30 2HD1 ILE 3 HD12 ILE 3 22.703 -4.897 -4.525 31 3HD1 ILE 3 HD13 ILE 3 21.571 -4.697 -5.863 32 H HIS 4 HN HIS 4 19.578 -0.865 -5.260 33 HA HIS 4 HA HIS 4 20.296 1.870 -4.668 34 1HB HIS 4 HB2 HIS 4 18.266 -0.134 -3.979 35 2HB HIS 4 HB1 HIS 4 18.625 0.967 -2.648 36 HD1 HIS 4 HD1 HIS 4 19.306 3.459 -4.488 37 HD2 HIS 4 HD2 HIS 4 15.865 1.124 -4.767 38 HE1 HIS 4 HE1 HIS 4 17.556 4.898 -5.617 39 H HIS 5 HN HIS 5 21.089 2.692 -2.632 40 HA HIS 5 HA HIS 5 23.391 1.678 -1.534 41 1HB HIS 5 HB2 HIS 5 22.690 2.972 0.522 42 2HB HIS 5 HB1 HIS 5 22.479 3.858 -0.990 43 HD1 HIS 5 HD1 HIS 5 20.574 2.281 1.806 44 HD2 HIS 5 HD2 HIS 5 19.743 4.148 -1.827 45 HE1 HIS 5 HE1 HIS 5 18.089 2.767 1.804 46 H HIS 6 HN HIS 6 23.945 0.210 0.117 47 HA HIS 6 HA HIS 6 21.715 -1.488 1.194 48 1HB HIS 6 HB2 HIS 6 23.124 -3.403 0.807 49 2HB HIS 6 HB1 HIS 6 23.176 -2.443 -0.672 50 HD1 HIS 6 HD1 HIS 6 25.168 -2.687 2.582 51 HD2 HIS 6 HD2 HIS 6 25.763 -1.918 -1.472 52 HE1 HIS 6 HE1 HIS 6 27.662 -2.380 2.271 53 H HIS 7 HN HIS 7 23.441 0.874 2.258 54 HA HIS 7 HA HIS 7 24.747 -0.501 4.566 55 1HB HIS 7 HB2 HIS 7 25.146 1.929 2.960 56 2HB HIS 7 HB1 HIS 7 25.300 2.210 4.695 57 HD1 HIS 7 HD1 HIS 7 27.033 0.586 5.977 58 HD2 HIS 7 HD2 HIS 7 27.330 0.629 1.819 59 HE1 HIS 7 HE1 HIS 7 29.284 -0.426 5.408 60 H HIS 8 HN HIS 8 23.457 2.782 4.544 61 HA HIS 8 HA HIS 8 21.890 2.139 6.987 62 1HB HIS 8 HB2 HIS 8 23.067 4.554 5.659 63 2HB HIS 8 HB1 HIS 8 21.722 4.785 6.776 64 HD1 HIS 8 HD1 HIS 8 25.325 4.387 6.713 65 HD2 HIS 8 HD2 HIS 8 22.295 3.470 9.425 66 HE1 HIS 8 HE1 HIS 8 26.453 4.029 8.952 67 H HIS 9 HN HIS 9 19.669 3.046 7.161 68 HA HIS 9 HA HIS 9 18.243 2.930 4.531 69 1HB HIS 9 HB2 HIS 9 17.642 1.217 6.163 70 2HB HIS 9 HB1 HIS 9 17.374 2.446 7.400 71 HD1 HIS 9 HD1 HIS 9 14.885 2.447 7.734 72 HD2 HIS 9 HD2 HIS 9 15.910 2.458 3.693 73 HE1 HIS 9 HE1 HIS 9 12.721 2.716 6.447 74 H ILE 10 HN ILE 10 18.687 4.844 7.473 75 HA ILE 10 HA ILE 10 16.848 6.937 6.375 76 HB ILE 10 HB ILE 10 17.946 6.299 9.127 77 1HG1 ILE 10 HG12 ILE 10 16.027 4.947 8.234 78 2HG1 ILE 10 HG11 ILE 10 15.606 5.887 9.666 79 1HG2 ILE 10 HG21 ILE 10 17.562 8.424 9.762 80 2HG2 ILE 10 HG22 ILE 10 15.906 8.320 9.162 81 3HG2 ILE 10 HG23 ILE 10 17.202 8.844 8.087 82 1HD1 ILE 10 HD11 ILE 10 13.959 6.881 8.503 83 2HD1 ILE 10 HD12 ILE 10 14.432 6.004 7.048 84 3HD1 ILE 10 HD13 ILE 10 15.167 7.564 7.415 85 H GLU 11 HN GLU 11 19.079 7.063 4.946 86 HA GLU 11 HA GLU 11 21.356 8.382 6.072 87 1HB GLU 11 HB2 GLU 11 20.178 8.457 3.274 88 2HB GLU 11 HB1 GLU 11 21.842 8.862 3.696 89 1HG GLU 11 HG2 GLU 11 22.400 6.691 3.532 90 2HG GLU 11 HG1 GLU 11 21.275 6.317 4.839 91 H GLY 12 HN GLY 12 20.001 9.939 7.471 92 1HA GLY 12 HA2 GLY 12 19.826 12.523 6.049 93 2HA GLY 12 HA1 GLY 12 18.348 11.963 6.833 94 H ARG 13 HN ARG 13 18.508 11.506 9.203 95 HA ARG 13 HA ARG 13 20.494 13.350 10.489 96 1HB ARG 13 HB2 ARG 13 17.597 12.837 10.738 97 2HB ARG 13 HB1 ARG 13 18.442 12.992 12.279 98 1HG ARG 13 HG2 ARG 13 18.880 14.983 10.056 99 2HG ARG 13 HG1 ARG 13 17.538 15.160 11.187 100 1HD ARG 13 HD2 ARG 13 19.238 14.980 13.074 101 2HD ARG 13 HD1 ARG 13 20.501 15.126 11.836 102 HE ARG 13 HE ARG 13 18.685 17.264 12.685 103 1HH1 ARG 13 HH11 ARG 13 21.632 16.817 11.379 104 2HH1 ARG 13 HH12 ARG 13 21.483 17.956 10.083 105 1HH2 ARG 13 HH21 ARG 13 18.067 18.383 10.500 106 2HH2 ARG 13 HH22 ARG 13 19.465 18.844 9.586 107 H ALA 14 HN ALA 14 20.564 12.644 13.010 108 HA ALA 14 HA ALA 14 21.828 10.020 13.049 109 1HB ALA 14 HB1 ALA 14 21.449 12.382 14.783 110 2HB ALA 14 HB2 ALA 14 22.882 11.381 14.549 111 3HB ALA 14 HB3 ALA 14 21.610 10.856 15.653 112 HA PRO 15 HA PRO 15 18.181 8.899 15.933 113 1HB PRO 15 HB2 PRO 15 16.148 10.714 16.207 114 2HB PRO 15 HB1 PRO 15 17.579 10.690 17.258 115 1HG PRO 15 HG2 PRO 15 16.960 12.453 14.943 116 2HG PRO 15 HG1 PRO 15 17.758 12.838 16.475 117 1HD PRO 15 HD2 PRO 15 19.099 12.454 14.131 118 2HD PRO 15 HD1 PRO 15 19.808 12.148 15.731 119 H THR 16 HN THR 16 16.569 11.171 13.652 120 HA THR 16 HA THR 16 15.664 8.873 12.014 121 HB THR 16 HB THR 16 14.036 9.000 13.829 122 HG1 THR 16 HG1 THR 16 12.384 8.935 12.509 123 1HG2 THR 16 HG21 THR 16 14.447 11.862 13.425 124 2HG2 THR 16 HG22 THR 16 13.822 11.007 14.835 125 3HG2 THR 16 HG23 THR 16 12.738 11.437 13.512 126 H GLU 17 HN GLU 17 14.752 9.588 9.958 127 HA GLU 17 HA GLU 17 16.011 11.829 8.784 128 1HB GLU 17 HB2 GLU 17 14.981 9.698 7.773 129 2HB GLU 17 HB1 GLU 17 13.440 10.553 7.849 130 1HG GLU 17 HG2 GLU 17 14.868 12.475 6.671 131 2HG GLU 17 HG1 GLU 17 15.825 11.094 6.134 132 H GLN 18 HN GLN 18 15.568 13.948 9.275 133 HA GLN 18 HA GLN 18 13.330 14.935 10.654 134 1HB GLN 18 HB2 GLN 18 15.589 16.001 10.146 135 2HB GLN 18 HB1 GLN 18 14.937 16.413 8.560 136 1HG GLN 18 HG2 GLN 18 13.343 17.130 10.992 137 2HG GLN 18 HG1 GLN 18 14.741 18.122 10.575 138 1HE2 GLN 18 HE21 GLN 18 14.767 18.920 8.205 139 2HE2 GLN 18 HE22 GLN 18 13.272 19.303 7.497 140 H SER 19 HN SER 19 13.926 15.640 7.196 141 HA SER 19 HA SER 19 11.331 16.479 6.529 142 1HB SER 19 HB2 SER 19 12.672 16.840 4.735 143 2HB SER 19 HB1 SER 19 13.772 15.550 5.212 144 HG SER 19 HG SER 19 12.029 15.528 3.254 145 HA PRO 20 HA PRO 20 8.858 12.859 6.424 146 1HB PRO 20 HB2 PRO 20 7.232 13.351 4.280 147 2HB PRO 20 HB1 PRO 20 7.086 14.220 5.820 148 1HG PRO 20 HG2 PRO 20 8.338 15.088 3.269 149 2HG PRO 20 HG1 PRO 20 7.412 16.026 4.450 150 1HD PRO 20 HD2 PRO 20 10.149 16.072 4.250 151 2HD PRO 20 HD1 PRO 20 9.250 16.459 5.733 152 H GLY 21 HN GLY 21 8.793 10.801 5.424 153 1HA GLY 21 HA2 GLY 21 10.562 10.500 3.043 154 2HA GLY 21 HA1 GLY 21 10.183 9.215 4.192 155 H VAL 22 HN VAL 22 8.986 7.699 3.139 156 HA VAL 22 HA VAL 22 7.346 8.247 0.832 157 HB VAL 22 HB VAL 22 7.310 5.915 2.778 158 1HG1 VAL 22 HG11 VAL 22 6.009 6.493 0.208 159 2HG1 VAL 22 HG12 VAL 22 5.629 5.256 1.406 160 3HG1 VAL 22 HG13 VAL 22 6.897 4.969 0.214 161 1HG2 VAL 22 HG21 VAL 22 9.057 6.511 0.371 162 2HG2 VAL 22 HG22 VAL 22 8.939 4.920 1.122 163 3HG2 VAL 22 HG23 VAL 22 9.586 6.281 2.037 164 H GLN 23 HN GLN 23 5.168 8.763 0.736 165 HA GLN 23 HA GLN 23 3.396 8.357 3.005 166 1HB GLN 23 HB2 GLN 23 4.591 10.387 3.657 167 2HB GLN 23 HB1 GLN 23 4.256 11.114 2.085 168 1HG GLN 23 HG2 GLN 23 2.462 12.026 3.153 169 2HG GLN 23 HG1 GLN 23 1.734 10.442 2.887 170 1HE2 GLN 23 HE21 GLN 23 2.887 8.813 4.763 171 2HE2 GLN 23 HE22 GLN 23 2.630 9.406 6.333 172 H ASP 24 HN ASP 24 2.589 7.104 1.031 173 HA ASP 24 HA ASP 24 1.555 8.456 -1.284 174 1HB ASP 24 HB2 ASP 24 1.726 5.825 -0.129 175 2HB ASP 24 HB1 ASP 24 0.089 6.089 -0.731 176 H CYS 25 HN CYS 25 -1.049 7.619 -1.506 177 HA CYS 25 HA CYS 25 -2.637 8.512 0.785 178 1HB CYS 25 HB2 CYS 25 -3.263 10.606 -0.002 179 2HB CYS 25 HB1 CYS 25 -1.601 10.524 -0.572 180 H TYR 26 HN TYR 26 -5.074 8.663 0.009 181 HA TYR 26 HA TYR 26 -5.670 6.980 -2.356 182 1HB TYR 26 HB2 TYR 26 -6.774 5.265 -1.059 183 2HB TYR 26 HB1 TYR 26 -5.159 5.478 -0.386 184 HD1 TYR 26 HD1 TYR 26 -4.924 5.832 1.895 185 HD2 TYR 26 HD2 TYR 26 -8.672 6.756 0.042 186 HE1 TYR 26 HE1 TYR 26 -5.880 6.330 4.119 187 HE2 TYR 26 HE2 TYR 26 -9.640 7.261 2.269 188 HH TYR 26 HH TYR 26 -8.220 6.347 5.144 189 H HIS 27 HN HIS 27 -7.942 7.083 -2.937 190 HA HIS 27 HA HIS 27 -9.364 9.400 -1.679 191 1HB HIS 27 HB2 HIS 27 -8.740 8.586 -4.356 192 2HB HIS 27 HB1 HIS 27 -10.494 8.559 -4.172 193 HD1 HIS 27 HD1 HIS 27 -9.544 10.724 -5.962 194 HD2 HIS 27 HD2 HIS 27 -9.687 11.250 -1.828 195 HE1 HIS 27 HE1 HIS 27 -9.612 13.224 -5.560 196 H GLY 28 HN GLY 28 -11.112 8.833 -0.430 197 1HA GLY 28 HA2 GLY 28 -13.214 7.745 -0.022 198 2HA GLY 28 HA1 GLY 28 -12.814 6.561 -1.269 199 H ASP 29 HN ASP 29 -12.205 4.583 -0.532 200 HA ASP 29 HA ASP 29 -10.895 4.422 2.140 201 1HB ASP 29 HB2 ASP 29 -13.469 3.382 1.223 202 2HB ASP 29 HB1 ASP 29 -12.438 2.126 1.910 203 H GLY 30 HN GLY 30 -9.303 4.426 0.005 204 1HA GLY 30 HA2 GLY 30 -7.597 3.112 -0.955 205 2HA GLY 30 HA1 GLY 30 -8.189 1.745 -0.004 206 H GLN 31 HN GLN 31 -10.849 2.992 -1.501 207 HA GLN 31 HA GLN 31 -10.940 0.786 -3.436 208 1HB GLN 31 HB2 GLN 31 -12.711 2.649 -2.088 209 2HB GLN 31 HB1 GLN 31 -13.092 2.572 -3.809 210 1HG GLN 31 HG2 GLN 31 -13.172 0.094 -3.662 211 2HG GLN 31 HG1 GLN 31 -12.858 0.203 -1.929 212 1HE2 GLN 31 HE21 GLN 31 -15.350 -0.665 -3.584 213 2HE2 GLN 31 HE22 GLN 31 -16.617 0.214 -2.874 214 H SER 32 HN SER 32 -10.584 4.312 -3.540 215 HA SER 32 HA SER 32 -10.609 4.352 -6.491 216 1HB SER 32 HB2 SER 32 -11.293 6.091 -4.467 217 2HB SER 32 HB1 SER 32 -9.732 6.726 -4.978 218 HG SER 32 HG SER 32 -11.274 7.640 -6.280 219 H TYR 33 HN TYR 33 -8.409 3.054 -4.658 220 HA TYR 33 HA TYR 33 -5.976 4.480 -4.866 221 1HB TYR 33 HB2 TYR 33 -6.786 2.113 -3.865 222 2HB TYR 33 HB1 TYR 33 -6.001 1.535 -5.335 223 HD1 TYR 33 HD1 TYR 33 -5.491 3.552 -2.257 224 HD2 TYR 33 HD2 TYR 33 -3.615 1.532 -5.550 225 HE1 TYR 33 HE1 TYR 33 -3.280 3.871 -1.189 226 HE2 TYR 33 HE2 TYR 33 -1.404 1.851 -4.482 227 HH TYR 33 HH TYR 33 -0.547 3.823 -2.576 228 H ARG 34 HN ARG 34 -7.058 1.873 -7.087 229 HA ARG 34 HA ARG 34 -6.558 1.522 -9.372 230 1HB ARG 34 HB2 ARG 34 -6.756 4.501 -8.982 231 2HB ARG 34 HB1 ARG 34 -6.359 3.846 -10.572 232 1HG ARG 34 HG2 ARG 34 -8.506 2.285 -9.634 233 2HG ARG 34 HG1 ARG 34 -8.928 3.952 -9.241 234 1HD ARG 34 HD2 ARG 34 -7.946 4.271 -11.772 235 2HD ARG 34 HD1 ARG 34 -8.679 2.659 -11.890 236 HE ARG 34 HE ARG 34 -10.174 5.062 -11.741 237 1HH1 ARG 34 HH21 ARG 34 -10.854 1.931 -11.859 238 2HH1 ARG 34 HH22 ARG 34 -12.102 1.901 -10.658 239 1HH2 ARG 34 HH11 ARG 34 -11.386 5.073 -9.454 240 2HH2 ARG 34 HH12 ARG 34 -12.403 3.680 -9.296 241 H GLY 35 HN GLY 35 -4.291 1.764 -7.358 242 1HA GLY 35 HA2 GLY 35 -2.147 2.157 -9.380 243 2HA GLY 35 HA1 GLY 35 -2.023 3.031 -7.853 244 H SER 36 HN SER 36 -0.262 0.901 -8.941 245 HA SER 36 HA SER 36 -0.760 -1.395 -7.131 246 1HB SER 36 HB2 SER 36 0.787 -2.494 -8.512 247 2HB SER 36 HB1 SER 36 0.067 -1.337 -9.629 248 HG SER 36 HG SER 36 1.869 0.083 -8.820 249 H PHE 37 HN PHE 37 -0.377 0.614 -5.437 250 HA PHE 37 HA PHE 37 2.415 1.247 -4.891 251 1HB PHE 37 HB2 PHE 37 0.370 2.638 -4.364 252 2HB PHE 37 HB1 PHE 37 -0.027 1.458 -3.114 253 HD1 PHE 37 HD1 PHE 37 3.047 3.282 -4.280 254 HD2 PHE 37 HD2 PHE 37 0.607 2.064 -0.962 255 HE1 PHE 37 HE1 PHE 37 4.609 4.409 -2.718 256 HE2 PHE 37 HE2 PHE 37 2.167 3.190 0.598 257 HZ PHE 37 HZ PHE 37 4.169 4.363 -0.277 258 H SER 38 HN SER 38 2.896 -1.257 -4.969 259 HA SER 38 HA SER 38 2.129 -2.966 -2.812 260 1HB SER 38 HB2 SER 38 4.030 -4.284 -3.625 261 2HB SER 38 HB1 SER 38 3.141 -3.603 -4.986 262 HG SER 38 HG SER 38 4.784 -1.770 -4.567 263 H THR 39 HN THR 39 2.860 -0.413 -1.594 264 HA THR 39 HA THR 39 5.361 -1.176 -0.134 265 HB THR 39 HB THR 39 4.051 1.515 -0.658 266 HG1 THR 39 HG1 THR 39 6.376 0.235 -1.645 267 1HG2 THR 39 HG21 THR 39 6.583 2.032 0.223 268 2HG2 THR 39 HG22 THR 39 6.165 0.625 1.200 269 3HG2 THR 39 HG23 THR 39 5.153 2.068 1.254 270 H THR 40 HN THR 40 4.961 -1.815 1.958 271 HA THR 40 HA THR 40 2.294 -1.484 3.106 272 HB THR 40 HB THR 40 3.217 -2.898 4.866 273 HG1 THR 40 HG1 THR 40 5.206 -2.439 5.330 274 1HG2 THR 40 HG21 THR 40 3.416 -4.765 3.555 275 2HG2 THR 40 HG22 THR 40 4.617 -4.021 2.498 276 3HG2 THR 40 HG23 THR 40 2.906 -3.643 2.293 277 H VAL 41 HN VAL 41 1.990 -0.583 5.308 278 HA VAL 41 HA VAL 41 2.834 2.098 5.581 279 HB VAL 41 HB VAL 41 1.527 -0.021 7.216 280 1HG1 VAL 41 HG11 VAL 41 2.823 2.431 8.421 281 2HG1 VAL 41 HG12 VAL 41 2.918 0.760 8.978 282 3HG1 VAL 41 HG13 VAL 41 1.416 1.666 9.161 283 1HG2 VAL 41 HG21 VAL 41 0.160 2.321 7.565 284 2HG2 VAL 41 HG22 VAL 41 -0.109 1.214 6.219 285 3HG2 VAL 41 HG23 VAL 41 0.941 2.615 6.011 286 H THR 42 HN THR 42 4.434 -0.875 6.530 287 HA THR 42 HA THR 42 6.364 0.545 8.267 288 HB THR 42 HB THR 42 6.375 -2.342 7.360 289 HG1 THR 42 HG1 THR 42 5.106 -2.664 9.280 290 1HG2 THR 42 HG21 THR 42 8.225 -1.043 8.788 291 2HG2 THR 42 HG22 THR 42 7.792 -2.716 9.137 292 3HG2 THR 42 HG23 THR 42 7.102 -1.408 10.097 293 H GLY 43 HN GLY 43 6.017 0.339 5.015 294 1HA GLY 43 HA2 GLY 43 7.642 1.048 3.409 295 2HA GLY 43 HA1 GLY 43 8.914 0.718 4.585 296 H ARG 44 HN ARG 44 6.903 -1.910 4.646 297 HA ARG 44 HA ARG 44 8.817 -3.628 3.314 298 1HB ARG 44 HB2 ARG 44 6.858 -3.885 5.195 299 2HB ARG 44 HB1 ARG 44 6.049 -4.569 3.784 300 1HG ARG 44 HG2 ARG 44 7.208 -6.373 4.890 301 2HG ARG 44 HG1 ARG 44 8.097 -6.001 3.413 302 1HD ARG 44 HD2 ARG 44 9.708 -6.225 5.230 303 2HD ARG 44 HD1 ARG 44 9.604 -4.505 4.808 304 HE ARG 44 HE ARG 44 7.615 -5.074 6.773 305 1HH1 ARG 44 HH21 ARG 44 9.977 -6.606 7.880 306 2HH1 ARG 44 HH22 ARG 44 10.749 -5.399 8.854 307 1HH2 ARG 44 HH11 ARG 44 9.057 -2.752 7.385 308 2HH2 ARG 44 HH12 ARG 44 10.228 -3.217 8.574 309 H THR 45 HN THR 45 7.262 -5.382 1.842 310 HA THR 45 HA THR 45 6.218 -3.682 -0.403 311 HB THR 45 HB THR 45 7.762 -6.271 -0.671 312 HG1 THR 45 HG1 THR 45 9.443 -5.165 -0.132 313 1HG2 THR 45 HG21 THR 45 6.776 -5.868 -2.728 314 2HG2 THR 45 HG22 THR 45 8.271 -4.950 -2.913 315 3HG2 THR 45 HG23 THR 45 6.771 -4.119 -2.499 316 H CYS 46 HN CYS 46 4.271 -4.386 -1.275 317 HA CYS 46 HA CYS 46 2.642 -6.260 0.096 318 1HB CYS 46 HB2 CYS 46 1.632 -4.538 -1.192 319 2HB CYS 46 HB1 CYS 46 2.598 -4.930 -2.613 320 H GLN 47 HN GLN 47 3.457 -8.385 0.228 321 HA GLN 47 HA GLN 47 4.928 -9.766 -1.758 322 1HB GLN 47 HB2 GLN 47 4.841 -10.636 0.440 323 2HB GLN 47 HB1 GLN 47 3.084 -10.555 0.501 324 1HG GLN 47 HG2 GLN 47 3.582 -12.255 -1.651 325 2HG GLN 47 HG1 GLN 47 4.818 -12.697 -0.477 326 1HE2 GLN 47 HE21 GLN 47 1.348 -12.670 -1.089 327 2HE2 GLN 47 HE22 GLN 47 0.910 -13.550 0.295 328 H SER 48 HN SER 48 4.244 -11.135 -3.488 329 HA SER 48 HA SER 48 1.986 -10.460 -5.006 330 1HB SER 48 HB2 SER 48 3.409 -13.130 -4.729 331 2HB SER 48 HB1 SER 48 2.400 -12.658 -6.094 332 HG SER 48 HG SER 48 4.970 -12.161 -5.697 333 H TRP 49 HN TRP 49 -0.202 -10.970 -4.797 334 HA TRP 49 HA TRP 49 -1.261 -12.062 -2.399 335 1HB TRP 49 HB2 TRP 49 -2.358 -11.960 -5.231 336 2HB TRP 49 HB1 TRP 49 -3.333 -12.281 -3.800 337 HD1 TRP 49 HD1 TRP 49 -2.088 -9.496 -5.884 338 HE1 TRP 49 HE1 TRP 49 -2.564 -7.249 -4.736 339 HE3 TRP 49 HE3 TRP 49 -3.326 -11.102 -1.251 340 HZ2 TRP 49 HZ2 TRP 49 -3.343 -6.250 -2.195 341 HZ3 TRP 49 HZ3 TRP 49 -3.932 -9.503 0.546 342 HH2 TRP 49 HH2 TRP 49 -3.943 -7.066 0.075 343 H SER 50 HN SER 50 -0.473 -13.501 -5.516 344 HA SER 50 HA SER 50 -1.275 -16.210 -4.788 345 1HB SER 50 HB2 SER 50 -1.296 -15.104 -7.058 346 2HB SER 50 HB1 SER 50 0.464 -15.167 -7.037 347 HG SER 50 HG SER 50 -0.057 -17.037 -7.983 348 H SER 51 HN SER 51 0.852 -14.885 -3.046 349 HA SER 51 HA SER 51 3.291 -16.421 -3.729 350 1HB SER 51 HB2 SER 51 3.823 -14.275 -2.990 351 2HB SER 51 HB1 SER 51 2.479 -14.228 -1.854 352 HG SER 51 HG SER 51 5.039 -15.097 -1.511 353 H MET 52 HN MET 52 2.900 -18.587 -3.207 354 HA MET 52 HA MET 52 1.682 -19.190 -0.559 355 1HB MET 52 HB2 MET 52 2.474 -21.144 -2.722 356 2HB MET 52 HB1 MET 52 1.214 -21.311 -1.507 357 1HG MET 52 HG2 MET 52 1.167 -19.766 -4.069 358 2HG MET 52 HG1 MET 52 -0.059 -20.820 -3.380 359 1HE MET 52 HE1 MET 52 0.089 -20.104 -0.641 360 2HE MET 52 HE2 MET 52 -1.598 -19.688 -0.878 361 3HE MET 52 HE3 MET 52 -0.511 -18.536 -0.108 362 H THR 53 HN THR 53 4.476 -18.159 -0.909 363 HA THR 53 HA THR 53 6.098 -20.526 -0.113 364 HB THR 53 HB THR 53 7.720 -18.265 -0.181 365 HG1 THR 53 HG1 THR 53 5.822 -18.124 -2.278 366 1HG2 THR 53 HG21 THR 53 7.455 -20.705 -1.499 367 2HG2 THR 53 HG22 THR 53 8.776 -19.552 -1.699 368 3HG2 THR 53 HG23 THR 53 7.395 -19.510 -2.796 369 HA PRO 54 HA PRO 54 6.834 -17.753 3.656 370 1HB PRO 54 HB2 PRO 54 5.825 -15.209 3.713 371 2HB PRO 54 HB1 PRO 54 7.413 -15.602 3.025 372 1HG PRO 54 HG2 PRO 54 4.833 -15.076 1.649 373 2HG PRO 54 HG1 PRO 54 6.480 -14.636 1.173 374 1HD PRO 54 HD2 PRO 54 5.085 -16.738 0.101 375 2HD PRO 54 HD1 PRO 54 6.858 -16.636 0.151 376 H HIS 55 HN HIS 55 4.057 -15.656 3.331 377 HA HIS 55 HA HIS 55 2.565 -17.342 5.261 378 1HB HIS 55 HB2 HIS 55 1.446 -14.823 4.107 379 2HB HIS 55 HB1 HIS 55 1.455 -15.377 5.778 380 HD1 HIS 55 HD1 HIS 55 3.570 -13.606 3.231 381 HD2 HIS 55 HD2 HIS 55 3.760 -14.622 7.268 382 HE1 HIS 55 HE1 HIS 55 5.555 -12.375 4.183 383 H TRP 56 HN TRP 56 1.234 -18.908 4.427 384 HA TRP 56 HA TRP 56 0.247 -18.683 1.651 385 1HB TRP 56 HB2 TRP 56 1.229 -20.750 2.865 386 2HB TRP 56 HB1 TRP 56 -0.347 -20.863 3.651 387 HD1 TRP 56 HD1 TRP 56 -2.435 -20.507 1.626 388 HE1 TRP 56 HE1 TRP 56 -2.646 -21.859 -0.527 389 HE3 TRP 56 HE3 TRP 56 2.332 -22.189 1.222 390 HZ2 TRP 56 HZ2 TRP 56 -1.009 -23.466 -2.218 391 HZ3 TRP 56 HZ3 TRP 56 2.987 -23.618 -0.679 392 HH2 TRP 56 HH2 TRP 56 1.332 -24.275 -2.401 393 H HIS 57 HN HIS 57 -1.937 -18.526 1.097 394 HA HIS 57 HA HIS 57 -4.055 -18.618 3.109 395 1HB HIS 57 HB2 HIS 57 -4.645 -16.202 2.774 396 2HB HIS 57 HB1 HIS 57 -3.065 -16.413 3.531 397 HD1 HIS 57 HD1 HIS 57 -4.491 -16.009 0.018 398 HD2 HIS 57 HD2 HIS 57 -1.047 -15.096 2.181 399 HE1 HIS 57 HE1 HIS 57 -2.980 -14.730 -1.553 400 H GLN 58 HN GLN 58 -6.009 -19.062 2.074 401 HA GLN 58 HA GLN 58 -5.936 -19.448 -0.841 402 1HB GLN 58 HB2 GLN 58 -7.661 -20.146 1.490 403 2HB GLN 58 HB1 GLN 58 -8.437 -20.105 -0.093 404 1HG GLN 58 HG2 GLN 58 -6.802 -21.680 -0.983 405 2HG GLN 58 HG1 GLN 58 -5.911 -21.658 0.539 406 1HE2 GLN 58 HE21 GLN 58 -7.449 -22.225 2.537 407 2HE2 GLN 58 HE22 GLN 58 -8.497 -23.536 2.287 408 H ARG 59 HN ARG 59 -8.333 -18.826 -1.809 409 HA ARG 59 HA ARG 59 -9.588 -17.013 -2.660 410 1HB ARG 59 HB2 ARG 59 -9.718 -17.174 0.181 411 2HB ARG 59 HB1 ARG 59 -9.672 -15.462 -0.243 412 1HG ARG 59 HG2 ARG 59 -11.981 -16.072 -0.287 413 2HG ARG 59 HG1 ARG 59 -11.477 -15.987 -1.976 414 1HD ARG 59 HD2 ARG 59 -12.630 -18.046 -1.889 415 2HD ARG 59 HD1 ARG 59 -10.944 -18.551 -1.654 416 HE ARG 59 HE ARG 59 -12.853 -18.095 0.610 417 1HH1 ARG 59 HH11 ARG 59 -11.225 -20.498 -1.003 418 2HH1 ARG 59 HH12 ARG 59 -10.415 -21.148 0.383 419 1HH2 ARG 59 HH21 ARG 59 -11.339 -18.544 2.476 420 2HH2 ARG 59 HH22 ARG 59 -10.480 -20.042 2.352 421 H THR 60 HN THR 60 -7.387 -16.451 -3.756 422 HA THR 60 HA THR 60 -6.157 -13.971 -2.637 423 HB THR 60 HB THR 60 -4.511 -15.522 -3.332 424 HG1 THR 60 HG1 THR 60 -3.519 -14.415 -4.887 425 1HG2 THR 60 HG21 THR 60 -6.350 -16.020 -5.669 426 2HG2 THR 60 HG22 THR 60 -5.783 -17.179 -4.467 427 3HG2 THR 60 HG23 THR 60 -4.669 -16.552 -5.681 428 H THR 61 HN THR 61 -5.725 -12.215 -4.176 429 HA THR 61 HA THR 61 -8.101 -11.585 -5.777 430 HB THR 61 HB THR 61 -6.284 -9.587 -6.190 431 HG1 THR 61 HG1 THR 61 -5.629 -9.897 -3.620 432 1HG2 THR 61 HG21 THR 61 -8.573 -9.461 -5.193 433 2HG2 THR 61 HG22 THR 61 -7.400 -8.448 -4.353 434 3HG2 THR 61 HG23 THR 61 -7.892 -9.989 -3.654 435 H GLU 62 HN GLU 62 -5.100 -13.163 -6.247 436 HA GLU 62 HA GLU 62 -4.538 -12.381 -8.941 437 1HB GLU 62 HB2 GLU 62 -2.882 -13.472 -7.522 438 2HB GLU 62 HB1 GLU 62 -3.944 -14.863 -7.302 439 1HG GLU 62 HG2 GLU 62 -2.858 -15.783 -9.060 440 2HG GLU 62 HG1 GLU 62 -3.758 -14.642 -10.061 441 H TYR 63 HN TYR 63 -6.712 -14.591 -7.400 442 HA TYR 63 HA TYR 63 -7.516 -15.772 -9.989 443 1HB TYR 63 HB2 TYR 63 -7.251 -16.705 -7.369 444 2HB TYR 63 HB1 TYR 63 -8.995 -16.558 -7.593 445 HD1 TYR 63 HD1 TYR 63 -6.767 -19.001 -7.570 446 HD2 TYR 63 HD2 TYR 63 -9.328 -17.110 -10.455 447 HE1 TYR 63 HE1 TYR 63 -6.769 -21.076 -8.928 448 HE2 TYR 63 HE2 TYR 63 -9.330 -19.186 -11.813 449 HH TYR 63 HH TYR 63 -8.756 -21.349 -11.862 450 H TYR 64 HN TYR 64 -8.155 -13.009 -8.289 451 HA TYR 64 HA TYR 64 -10.980 -12.922 -9.310 452 1HB TYR 64 HB2 TYR 64 -9.804 -12.361 -6.614 453 2HB TYR 64 HB1 TYR 64 -11.175 -11.385 -7.142 454 HD1 TYR 64 HD1 TYR 64 -10.026 -14.792 -6.308 455 HD2 TYR 64 HD2 TYR 64 -13.376 -12.366 -7.469 456 HE1 TYR 64 HE1 TYR 64 -11.568 -16.650 -5.744 457 HE2 TYR 64 HE2 TYR 64 -14.917 -14.225 -6.905 458 HH TYR 64 HH TYR 64 -13.675 -17.325 -5.649 459 HA PRO 65 HA PRO 65 -8.665 -9.375 -11.013 460 1HB PRO 65 HB2 PRO 65 -10.119 -9.253 -13.328 461 2HB PRO 65 HB1 PRO 65 -8.737 -10.347 -13.112 462 1HG PRO 65 HG2 PRO 65 -11.651 -10.926 -12.957 463 2HG PRO 65 HG1 PRO 65 -10.339 -11.906 -13.629 464 1HD PRO 65 HD2 PRO 65 -11.464 -12.357 -11.183 465 2HD PRO 65 HD1 PRO 65 -9.795 -12.803 -11.597 466 H ASN 66 HN ASN 66 -11.979 -9.967 -10.230 467 HA ASN 66 HA ASN 66 -13.279 -7.572 -10.954 468 1HB ASN 66 HB2 ASN 66 -14.072 -9.765 -9.785 469 2HB ASN 66 HB1 ASN 66 -13.656 -8.929 -8.288 470 1HD2 ASN 66 HD21 ASN 66 -16.382 -9.635 -9.028 471 2HD2 ASN 66 HD22 ASN 66 -17.242 -8.186 -9.234 472 H GLY 67 HN GLY 67 -10.729 -8.068 -8.667 473 1HA GLY 67 HA2 GLY 67 -11.309 -5.554 -7.221 474 2HA GLY 67 HA1 GLY 67 -10.001 -6.679 -6.851 475 H GLY 68 HN GLY 68 -8.845 -6.902 -9.411 476 1HA GLY 68 HA2 GLY 68 -7.695 -5.615 -11.080 477 2HA GLY 68 HA1 GLY 68 -8.184 -4.139 -10.244 478 H LEU 69 HN LEU 69 -7.026 -6.541 -8.131 479 HA LEU 69 HA LEU 69 -4.347 -5.192 -8.039 480 1HB LEU 69 HB2 LEU 69 -4.492 -5.396 -5.634 481 2HB LEU 69 HB1 LEU 69 -6.009 -4.699 -6.201 482 HG LEU 69 HG LEU 69 -6.367 -7.493 -6.309 483 1HD1 LEU 69 HD11 LEU 69 -4.923 -8.292 -4.755 484 2HD1 LEU 69 HD12 LEU 69 -5.953 -7.497 -3.566 485 3HD1 LEU 69 HD13 LEU 69 -4.520 -6.674 -4.184 486 1HD2 LEU 69 HD21 LEU 69 -8.301 -6.793 -5.387 487 2HD2 LEU 69 HD22 LEU 69 -7.605 -5.176 -5.281 488 3HD2 LEU 69 HD23 LEU 69 -7.464 -6.287 -3.919 489 H THR 70 HN THR 70 -3.832 -7.047 -9.598 490 HA THR 70 HA THR 70 -3.604 -9.702 -8.277 491 HB THR 70 HB THR 70 -4.558 -9.376 -10.582 492 HG1 THR 70 HG1 THR 70 -3.863 -11.349 -10.610 493 1HG2 THR 70 HG21 THR 70 -1.706 -8.542 -11.171 494 2HG2 THR 70 HG22 THR 70 -3.151 -7.544 -11.335 495 3HG2 THR 70 HG23 THR 70 -2.906 -8.925 -12.405 496 H ARG 71 HN ARG 71 -1.516 -10.838 -8.404 497 HA ARG 71 HA ARG 71 0.848 -10.987 -8.327 498 1HB ARG 71 HB2 ARG 71 0.393 -9.226 -10.279 499 2HB ARG 71 HB1 ARG 71 1.090 -8.108 -9.106 500 1HG ARG 71 HG2 ARG 71 2.894 -10.072 -8.882 501 2HG ARG 71 HG1 ARG 71 2.366 -10.397 -10.534 502 1HD ARG 71 HD2 ARG 71 2.896 -8.107 -11.206 503 2HD ARG 71 HD1 ARG 71 3.318 -7.688 -9.534 504 HE ARG 71 HE ARG 71 4.865 -9.933 -10.094 505 1HH1 ARG 71 HH21 ARG 71 4.727 -8.706 -12.908 506 2HH1 ARG 71 HH22 ARG 71 6.174 -7.754 -12.913 507 1HH2 ARG 71 HH11 ARG 71 6.596 -7.890 -9.475 508 2HH2 ARG 71 HH12 ARG 71 7.232 -7.292 -10.970 509 H ASN 72 HN ASN 72 2.427 -8.491 -7.657 510 HA ASN 72 HA ASN 72 2.012 -8.626 -4.735 511 1HB ASN 72 HB2 ASN 72 4.243 -7.825 -4.668 512 2HB ASN 72 HB1 ASN 72 4.202 -8.825 -6.118 513 1HD2 ASN 72 HD21 ASN 72 3.629 -5.397 -5.155 514 2HD2 ASN 72 HD22 ASN 72 4.277 -4.727 -6.572 515 H TYR 73 HN TYR 73 0.334 -6.930 -6.832 516 HA TYR 73 HA TYR 73 0.834 -4.157 -6.152 517 1HB TYR 73 HB2 TYR 73 -1.560 -5.686 -7.236 518 2HB TYR 73 HB1 TYR 73 -1.489 -3.928 -7.150 519 HD1 TYR 73 HD1 TYR 73 1.807 -4.863 -7.643 520 HD2 TYR 73 HD2 TYR 73 -1.932 -4.721 -9.757 521 HE1 TYR 73 HE1 TYR 73 3.027 -4.803 -9.801 522 HE2 TYR 73 HE2 TYR 73 -0.710 -4.662 -11.913 523 HH TYR 73 HH TYR 73 2.305 -5.558 -12.344 524 H CYS 74 HN CYS 74 -0.056 -2.922 -4.517 525 HA CYS 74 HA CYS 74 -1.408 -4.366 -2.300 526 1HB CYS 74 HB2 CYS 74 0.549 -2.987 -1.816 527 2HB CYS 74 HB1 CYS 74 -0.190 -1.601 -2.618 528 H ARG 75 HN ARG 75 -3.612 -4.211 -2.088 529 HA ARG 75 HA ARG 75 -4.984 -1.739 -3.022 530 1HB ARG 75 HB2 ARG 75 -5.146 -4.510 -4.128 531 2HB ARG 75 HB1 ARG 75 -6.638 -3.570 -4.067 532 1HG ARG 75 HG2 ARG 75 -4.458 -1.929 -5.035 533 2HG ARG 75 HG1 ARG 75 -4.602 -3.392 -6.010 534 1HD ARG 75 HD2 ARG 75 -7.229 -2.722 -5.789 535 2HD ARG 75 HD1 ARG 75 -6.484 -1.111 -5.756 536 HE ARG 75 HE ARG 75 -5.554 -3.024 -7.832 537 1HH1 ARG 75 HH11 ARG 75 -8.211 -1.059 -7.431 538 2HH1 ARG 75 HH12 ARG 75 -7.894 -0.031 -8.788 539 1HH2 ARG 75 HH21 ARG 75 -4.730 -1.327 -9.367 540 2HH2 ARG 75 HH22 ARG 75 -5.922 -0.182 -9.884 541 H ASN 76 HN ASN 76 -7.473 -2.060 -2.469 542 HA ASN 76 HA ASN 76 -7.629 -3.280 0.264 543 1HB ASN 76 HB2 ASN 76 -7.758 -0.722 -0.205 544 2HB ASN 76 HB1 ASN 76 -9.369 -1.072 -0.834 545 1HD2 ASN 76 HD21 ASN 76 -9.368 0.536 1.372 546 2HD2 ASN 76 HD22 ASN 76 -9.832 -0.320 2.763 547 HA PRO 77 HA PRO 77 -10.615 -5.623 -2.304 548 1HB PRO 77 HB2 PRO 77 -10.229 -8.004 -1.012 549 2HB PRO 77 HB1 PRO 77 -9.193 -7.451 -2.344 550 1HG PRO 77 HG2 PRO 77 -8.695 -7.410 0.584 551 2HG PRO 77 HG1 PRO 77 -7.570 -7.702 -0.750 552 1HD PRO 77 HD2 PRO 77 -7.771 -5.326 0.618 553 2HD PRO 77 HD1 PRO 77 -7.144 -5.480 -1.038 554 H ASP 78 HN ASP 78 -10.465 -4.474 0.802 555 HA ASP 78 HA ASP 78 -13.095 -5.710 1.556 556 1HB ASP 78 HB2 ASP 78 -10.552 -5.375 2.902 557 2HB ASP 78 HB1 ASP 78 -11.832 -4.566 3.807 558 H ALA 79 HN ALA 79 -11.671 -2.899 0.438 559 HA ALA 79 HA ALA 79 -12.457 -0.674 0.306 560 1HB ALA 79 HB1 ALA 79 -14.687 -0.755 -0.082 561 2HB ALA 79 HB2 ALA 79 -15.017 -1.160 1.602 562 3HB ALA 79 HB3 ALA 79 -14.641 -2.437 0.445 563 H GLU 80 HN GLU 80 -11.297 -1.922 2.896 564 HA GLU 80 HA GLU 80 -12.520 -0.593 5.141 565 1HB GLU 80 HB2 GLU 80 -10.527 -2.466 4.634 566 2HB GLU 80 HB1 GLU 80 -9.636 -1.092 5.290 567 1HG GLU 80 HG2 GLU 80 -10.529 -1.346 7.363 568 2HG GLU 80 HG1 GLU 80 -12.135 -1.706 6.727 569 H ILE 81 HN ILE 81 -10.708 0.885 6.441 570 HA ILE 81 HA ILE 81 -10.797 3.473 5.451 571 HB ILE 81 HB ILE 81 -8.650 3.730 6.881 572 1HG1 ILE 81 HG12 ILE 81 -8.983 1.196 8.189 573 2HG1 ILE 81 HG11 ILE 81 -8.670 0.903 6.479 574 1HG2 ILE 81 HG21 ILE 81 -9.912 3.341 8.947 575 2HG2 ILE 81 HG22 ILE 81 -11.058 2.323 8.075 576 3HG2 ILE 81 HG23 ILE 81 -10.967 4.048 7.723 577 1HD1 ILE 81 HD11 ILE 81 -6.600 1.102 7.950 578 2HD1 ILE 81 HD12 ILE 81 -7.005 2.808 8.137 579 3HD1 ILE 81 HD13 ILE 81 -6.634 2.160 6.539 580 H SER 82 HN SER 82 -8.451 0.950 4.630 581 HA SER 82 HA SER 82 -7.660 2.415 2.214 582 1HB SER 82 HB2 SER 82 -5.406 1.772 4.062 583 2HB SER 82 HB1 SER 82 -5.560 3.086 2.901 584 HG SER 82 HG SER 82 -5.812 3.386 5.382 585 HA PRO 83 HA PRO 83 -6.595 -1.647 0.958 586 1HB PRO 83 HB2 PRO 83 -4.444 -1.268 -0.679 587 2HB PRO 83 HB1 PRO 83 -6.088 -0.766 -1.118 588 1HG PRO 83 HG2 PRO 83 -3.803 0.858 -0.189 589 2HG PRO 83 HG1 PRO 83 -5.116 1.281 -1.294 590 1HD PRO 83 HD2 PRO 83 -4.947 2.043 1.378 591 2HD PRO 83 HD1 PRO 83 -6.417 2.071 0.386 592 H TRP 84 HN TRP 84 -4.974 -3.370 1.091 593 HA TRP 84 HA TRP 84 -2.514 -2.835 2.658 594 1HB TRP 84 HB2 TRP 84 -3.288 -4.551 4.351 595 2HB TRP 84 HB1 TRP 84 -4.235 -3.063 4.362 596 HD1 TRP 84 HD1 TRP 84 -6.734 -3.185 3.646 597 HE1 TRP 84 HE1 TRP 84 -8.330 -5.131 3.088 598 HE3 TRP 84 HE3 TRP 84 -3.365 -7.001 3.244 599 HZ2 TRP 84 HZ2 TRP 84 -8.195 -7.936 2.541 600 HZ3 TRP 84 HZ3 TRP 84 -4.124 -9.297 2.705 601 HH2 TRP 84 HH2 TRP 84 -6.532 -9.769 2.354 602 H CYS 85 HN CYS 85 -1.551 -5.282 3.108 603 HA CYS 85 HA CYS 85 -2.282 -7.333 1.231 604 1HB CYS 85 HB2 CYS 85 -1.672 -5.786 -0.472 605 2HB CYS 85 HB1 CYS 85 -0.235 -5.268 0.408 606 H TYR 86 HN TYR 86 -0.682 -9.069 1.134 607 HA TYR 86 HA TYR 86 0.673 -9.564 3.613 608 1HB TYR 86 HB2 TYR 86 1.158 -10.851 0.907 609 2HB TYR 86 HB1 TYR 86 1.310 -11.605 2.495 610 HD1 TYR 86 HD1 TYR 86 -0.611 -11.986 -0.192 611 HD2 TYR 86 HD2 TYR 86 -1.102 -10.698 3.878 612 HE1 TYR 86 HE1 TYR 86 -2.998 -12.654 -0.261 613 HE2 TYR 86 HE2 TYR 86 -3.486 -11.366 3.805 614 HH TYR 86 HH TYR 86 -4.766 -13.382 1.706 615 H THR 87 HN THR 87 3.063 -9.778 3.870 616 HA THR 87 HA THR 87 4.517 -7.779 2.174 617 HB THR 87 HB THR 87 5.792 -7.307 4.092 618 HG1 THR 87 HG1 THR 87 6.538 -8.993 5.058 619 1HG2 THR 87 HG21 THR 87 4.214 -6.644 5.615 620 2HG2 THR 87 HG22 THR 87 3.424 -8.220 5.643 621 3HG2 THR 87 HG23 THR 87 3.123 -7.106 4.311 622 H MET 88 HN MET 88 6.505 -8.360 1.243 623 HA MET 88 HA MET 88 6.953 -11.116 0.580 624 1HB MET 88 HB2 MET 88 8.118 -8.463 0.127 625 2HB MET 88 HB1 MET 88 9.333 -9.742 0.165 626 1HG MET 88 HG2 MET 88 8.639 -10.604 -1.809 627 2HG MET 88 HG1 MET 88 6.939 -10.491 -1.351 628 1HE MET 88 HE1 MET 88 7.496 -9.847 -4.412 629 2HE MET 88 HE2 MET 88 6.314 -8.539 -4.404 630 3HE MET 88 HE3 MET 88 6.052 -9.960 -3.395 631 H ASP 89 HN ASP 89 7.525 -9.511 3.508 632 HA ASP 89 HA ASP 89 9.923 -11.135 4.171 633 1HB ASP 89 HB2 ASP 89 8.938 -8.514 4.750 634 2HB ASP 89 HB1 ASP 89 9.026 -9.403 6.271 635 HA PRO 90 HA PRO 90 7.190 -13.933 6.261 636 1HB PRO 90 HB2 PRO 90 9.140 -15.344 7.579 637 2HB PRO 90 HB1 PRO 90 8.772 -15.572 5.858 638 1HG PRO 90 HG2 PRO 90 10.966 -14.010 7.133 639 2HG PRO 90 HG1 PRO 90 11.001 -15.032 5.687 640 1HD PRO 90 HD2 PRO 90 10.884 -12.319 5.572 641 2HD PRO 90 HD1 PRO 90 10.171 -13.370 4.328 642 H ASN 91 HN ASN 91 9.126 -11.515 7.612 643 HA ASN 91 HA ASN 91 8.455 -12.118 10.430 644 1HB ASN 91 HB2 ASN 91 9.731 -9.631 9.265 645 2HB ASN 91 HB1 ASN 91 9.935 -10.297 10.886 646 1HD2 ASN 91 HD21 ASN 91 12.222 -9.795 9.298 647 2HD2 ASN 91 HD22 ASN 91 12.916 -11.273 8.836 648 H VAL 92 HN VAL 92 6.975 -10.639 7.766 649 HA VAL 92 HA VAL 92 5.169 -9.070 9.569 650 HB VAL 92 HB VAL 92 6.160 -8.362 6.782 651 1HG1 VAL 92 HG11 VAL 92 4.611 -6.763 8.850 652 2HG1 VAL 92 HG12 VAL 92 3.933 -7.445 7.372 653 3HG1 VAL 92 HG13 VAL 92 5.146 -6.168 7.278 654 1HG2 VAL 92 HG21 VAL 92 7.864 -8.331 8.713 655 2HG2 VAL 92 HG22 VAL 92 6.905 -7.011 9.383 656 3HG2 VAL 92 HG23 VAL 92 7.668 -6.832 7.804 657 H ARG 93 HN ARG 93 3.654 -10.893 9.492 658 HA ARG 93 HA ARG 93 2.731 -12.400 7.394 659 1HB ARG 93 HB2 ARG 93 1.596 -11.180 9.834 660 2HB ARG 93 HB1 ARG 93 0.395 -11.686 8.645 661 1HG ARG 93 HG2 ARG 93 2.651 -13.512 9.473 662 2HG ARG 93 HG1 ARG 93 1.144 -13.439 10.387 663 1HD ARG 93 HD2 ARG 93 -0.137 -14.263 8.580 664 2HD ARG 93 HD1 ARG 93 1.121 -13.861 7.393 665 HE ARG 93 HE ARG 93 2.379 -15.611 9.144 666 1HH1 ARG 93 HH21 ARG 93 -0.854 -16.008 8.380 667 2HH1 ARG 93 HH22 ARG 93 -0.670 -17.549 7.611 668 1HH2 ARG 93 HH11 ARG 93 2.795 -17.452 7.646 669 2HH2 ARG 93 HH12 ARG 93 1.394 -18.366 7.195 670 H TRP 94 HN TRP 94 1.238 -9.257 8.236 671 HA TRP 94 HA TRP 94 1.037 -8.485 5.399 672 1HB TRP 94 HB2 TRP 94 -1.383 -8.575 5.353 673 2HB TRP 94 HB1 TRP 94 -0.819 -10.146 5.925 674 HD1 TRP 94 HD1 TRP 94 -1.261 -10.787 8.438 675 HE1 TRP 94 HE1 TRP 94 -2.746 -9.750 10.276 676 HE3 TRP 94 HE3 TRP 94 -2.332 -6.291 6.274 677 HZ2 TRP 94 HZ2 TRP 94 -4.192 -7.326 10.764 678 HZ3 TRP 94 HZ3 TRP 94 -3.758 -4.640 7.442 679 HH2 TRP 94 HH2 TRP 94 -4.687 -5.146 9.681 680 H GLU 95 HN GLU 95 -0.257 -6.294 5.325 681 HA GLU 95 HA GLU 95 -0.657 -4.803 7.759 682 1HB GLU 95 HB2 GLU 95 1.856 -5.218 7.692 683 2HB GLU 95 HB1 GLU 95 1.905 -4.176 6.270 684 1HG GLU 95 HG2 GLU 95 1.764 -2.316 7.534 685 2HG GLU 95 HG1 GLU 95 0.371 -2.950 8.410 686 H TYR 96 HN TYR 96 -1.126 -2.505 7.304 687 HA TYR 96 HA TYR 96 -2.394 -2.128 4.698 688 1HB TYR 96 HB2 TYR 96 -2.077 -0.670 7.298 689 2HB TYR 96 HB1 TYR 96 -2.585 0.260 5.890 690 HD1 TYR 96 HD1 TYR 96 -3.381 -2.843 7.815 691 HD2 TYR 96 HD2 TYR 96 -4.828 0.239 5.199 692 HE1 TYR 96 HE1 TYR 96 -5.693 -3.696 8.091 693 HE2 TYR 96 HE2 TYR 96 -7.141 -0.613 5.473 694 HH TYR 96 HH TYR 96 -7.912 -3.531 6.511 695 H CYS 97 HN CYS 97 -1.653 -0.728 3.037 696 HA CYS 97 HA CYS 97 1.209 -0.159 3.015 697 1HB CYS 97 HB2 CYS 97 -1.110 0.330 1.131 698 2HB CYS 97 HB1 CYS 97 0.532 0.846 0.754 699 H ASN 98 HN ASN 98 1.879 2.140 2.296 700 HA ASN 98 HA ASN 98 1.086 4.006 4.360 701 1HB ASN 98 HB2 ASN 98 2.993 3.753 2.162 702 2HB ASN 98 HB1 ASN 98 2.421 5.409 2.359 703 1HD2 ASN 98 HD21 ASN 98 5.028 3.804 3.192 704 2HD2 ASN 98 HD22 ASN 98 5.273 4.318 4.791 705 H LEU 99 HN LEU 99 -1.409 3.700 3.455 706 HA LEU 99 HA LEU 99 -1.860 5.734 1.321 707 1HB LEU 99 HB2 LEU 99 -4.001 4.028 2.553 708 2HB LEU 99 HB1 LEU 99 -3.896 4.655 0.916 709 HG LEU 99 HG LEU 99 -3.386 2.487 0.494 710 1HD1 LEU 99 HD11 LEU 99 -0.605 2.839 1.411 711 2HD1 LEU 99 HD12 LEU 99 -1.224 4.082 0.328 712 3HD1 LEU 99 HD13 LEU 99 -1.222 2.393 -0.177 713 1HD2 LEU 99 HD21 LEU 99 -2.758 2.458 3.361 714 2HD2 LEU 99 HD22 LEU 99 -1.828 1.319 2.399 715 3HD2 LEU 99 HD23 LEU 99 -3.581 1.254 2.376 716 H THR 100 HN THR 100 -3.552 7.313 1.684 717 HA THR 100 HA THR 100 -4.646 7.775 4.350 718 HB THR 100 HB THR 100 -3.423 10.183 3.992 719 HG1 THR 100 HG1 THR 100 -1.546 9.951 3.030 720 1HG2 THR 100 HG21 THR 100 -1.895 9.490 5.771 721 2HG2 THR 100 HG22 THR 100 -2.205 7.794 5.400 722 3HG2 THR 100 HG23 THR 100 -3.494 8.803 6.056 723 H GLN 101 HN GLN 101 -6.187 9.634 4.238 724 HA GLN 101 HA GLN 101 -7.598 9.767 1.748 725 1HB GLN 101 HB2 GLN 101 -7.603 11.173 4.386 726 2HB GLN 101 HB1 GLN 101 -8.485 11.932 3.059 727 1HG GLN 101 HG2 GLN 101 -9.568 9.647 2.660 728 2HG GLN 101 HG1 GLN 101 -8.903 9.173 4.224 729 1HE2 GLN 101 HE21 GLN 101 -11.330 9.000 4.788 730 2HE2 GLN 101 HE22 GLN 101 -12.113 10.413 5.311 731 H CYS 102 HN CYS 102 -6.318 10.448 0.015 732 HA CYS 102 HA CYS 102 -4.248 12.210 -0.209 733 1HB CYS 102 HB2 CYS 102 -6.697 12.149 -1.999 734 2HB CYS 102 HB1 CYS 102 -5.086 12.682 -2.475 735 HA PRO 103 HA PRO 103 -6.379 15.871 1.427 736 1HB PRO 103 HB2 PRO 103 -4.189 16.898 2.693 737 2HB PRO 103 HB1 PRO 103 -5.213 15.643 3.414 738 1HG PRO 103 HG2 PRO 103 -2.529 15.424 2.215 739 2HG PRO 103 HG1 PRO 103 -3.292 14.441 3.471 740 1HD PRO 103 HD2 PRO 103 -2.989 13.762 0.758 741 2HD PRO 103 HD1 PRO 103 -3.986 12.916 1.959 742 H VAL 104 HN VAL 104 -5.991 16.054 -1.183 743 HA VAL 104 HA VAL 104 -3.765 17.849 -1.894 744 HB VAL 104 HB VAL 104 -6.147 16.767 -3.434 745 1HG1 VAL 104 HG11 VAL 104 -5.373 18.626 -4.666 746 2HG1 VAL 104 HG12 VAL 104 -4.512 17.264 -5.383 747 3HG1 VAL 104 HG13 VAL 104 -3.690 18.322 -4.236 748 1HG2 VAL 104 HG21 VAL 104 -3.567 15.690 -4.158 749 2HG2 VAL 104 HG22 VAL 104 -4.999 14.833 -3.588 750 3HG2 VAL 104 HG23 VAL 104 -3.836 15.476 -2.428 751 H THR 105 HN THR 105 -4.380 19.853 -3.238 752 HA THR 105 HA THR 105 -6.574 21.331 -1.835 753 HB THR 105 HB THR 105 -4.147 22.044 -1.653 754 HG1 THR 105 HG1 THR 105 -5.232 23.795 -1.287 755 1HG2 THR 105 HG21 THR 105 -4.581 22.591 -4.600 756 2HG2 THR 105 HG22 THR 105 -3.410 21.476 -3.896 757 3HG2 THR 105 HG23 THR 105 -3.222 23.214 -3.663 758 H GLU 106 HN GLU 106 -5.228 20.493 -4.997 759 HA GLU 106 HA GLU 106 -6.594 22.160 -6.745 760 1HB GLU 106 HB2 GLU 106 -5.352 19.541 -6.727 761 2HB GLU 106 HB1 GLU 106 -6.733 19.559 -7.825 762 1HG GLU 106 HG2 GLU 106 -4.674 21.766 -7.853 763 2HG GLU 106 HG1 GLU 106 -4.452 20.288 -8.790 764 H SER 107 HN SER 107 -8.521 21.245 -8.204 765 HA SER 107 HA SER 107 -10.881 21.161 -6.550 766 1HB SER 107 HB2 SER 107 -11.438 22.003 -8.592 767 2HB SER 107 HB1 SER 107 -10.106 21.172 -9.391 768 HG SER 107 HG SER 107 -12.681 20.526 -9.360 769 H SER 108 HN SER 108 -9.597 18.685 -8.813 770 HA SER 108 HA SER 108 -9.723 16.329 -8.728 771 1HB SER 108 HB2 SER 108 -8.623 16.122 -6.731 772 2HB SER 108 HB1 SER 108 -9.630 17.330 -5.941 773 HG SER 108 HG SER 108 -10.578 15.664 -5.080 774 H VAL 109 HN VAL 109 -12.034 17.148 -6.130 775 HA VAL 109 HA VAL 109 -14.044 15.319 -6.834 776 HB VAL 109 HB VAL 109 -14.121 18.075 -5.573 777 1HG1 VAL 109 HG11 VAL 109 -16.344 17.272 -6.567 778 2HG1 VAL 109 HG12 VAL 109 -16.350 17.647 -4.843 779 3HG1 VAL 109 HG13 VAL 109 -16.282 15.969 -5.381 780 1HG2 VAL 109 HG21 VAL 109 -13.599 17.012 -3.631 781 2HG2 VAL 109 HG22 VAL 109 -13.030 15.714 -4.680 782 3HG2 VAL 109 HG23 VAL 109 -14.652 15.645 -3.992 783 H LEU 110 HN LEU 110 -15.139 15.161 -8.754 784 HA LEU 110 HA LEU 110 -15.408 17.535 -10.506 785 1HB LEU 110 HB2 LEU 110 -14.891 14.874 -10.903 786 2HB LEU 110 HB1 LEU 110 -16.618 14.942 -11.251 787 HG LEU 110 HG LEU 110 -14.606 16.853 -12.460 788 1HD1 LEU 110 HD11 LEU 110 -15.404 14.094 -13.211 789 2HD1 LEU 110 HD12 LEU 110 -13.921 14.976 -13.575 790 3HD1 LEU 110 HD13 LEU 110 -15.379 15.273 -14.522 791 1HD2 LEU 110 HD21 LEU 110 -16.841 17.739 -12.498 792 2HD2 LEU 110 HD22 LEU 110 -17.513 16.185 -12.992 793 3HD2 LEU 110 HD23 LEU 110 -16.521 17.115 -14.116 794 H ALA 111 HN ALA 111 -17.163 16.177 -7.997 795 HA ALA 111 HA ALA 111 -19.833 16.729 -9.184 796 1HB ALA 111 HB1 ALA 111 -19.424 15.886 -6.350 797 2HB ALA 111 HB2 ALA 111 -18.928 14.748 -7.604 798 3HB ALA 111 HB3 ALA 111 -20.599 15.308 -7.532 799 H THR 112 HN THR 112 -21.101 18.471 -8.502 800 HA THR 112 HA THR 112 -20.006 20.210 -6.322 801 HB THR 112 HB THR 112 -21.076 21.965 -8.152 802 HG1 THR 112 HG1 THR 112 -21.275 20.157 -9.604 803 1HG2 THR 112 HG21 THR 112 -18.396 21.716 -8.896 804 2HG2 THR 112 HG22 THR 112 -18.446 21.115 -7.238 805 3HG2 THR 112 HG23 THR 112 -19.030 22.738 -7.607 806 H SER 113 HN SER 113 -22.293 18.260 -6.458 807 HA SER 113 HA SER 113 -24.799 19.617 -6.701 808 1HB SER 113 HB2 SER 113 -23.697 17.124 -5.531 809 2HB SER 113 HB1 SER 113 -25.240 17.652 -4.867 810 HG SER 113 HG SER 113 -25.627 16.379 -6.665 811 H THR 114 HN THR 114 -23.435 18.498 -3.595 812 HA THR 114 HA THR 114 -24.543 20.973 -2.322 813 HB THR 114 HB THR 114 -25.513 18.912 -1.512 814 HG1 THR 114 HG1 THR 114 -24.921 19.059 0.631 815 1HG2 THR 114 HG21 THR 114 -24.284 17.049 -1.868 816 2HG2 THR 114 HG22 THR 114 -23.470 17.439 -0.353 817 3HG2 THR 114 HG23 THR 114 -22.773 17.958 -1.888 818 H ALA 115 HN ALA 115 -23.204 22.001 -0.666 819 HA ALA 115 HA ALA 115 -20.274 21.448 -1.016 820 1HB ALA 115 HB1 ALA 115 -20.497 23.561 -1.892 821 2HB ALA 115 HB2 ALA 115 -20.407 24.026 -0.193 822 3HB ALA 115 HB3 ALA 115 -21.976 23.887 -0.987 823 H VAL 116 HN VAL 116 -19.101 21.107 0.856 824 HA VAL 116 HA VAL 116 -20.555 21.428 3.462 825 HB VAL 116 HB VAL 116 -18.430 19.485 2.504 826 1HG1 VAL 116 HG11 VAL 116 -19.069 18.444 4.839 827 2HG1 VAL 116 HG12 VAL 116 -19.516 20.103 5.234 828 3HG1 VAL 116 HG13 VAL 116 -17.862 19.727 4.753 829 1HG2 VAL 116 HG21 VAL 116 -20.966 18.520 3.653 830 2HG2 VAL 116 HG22 VAL 116 -20.129 18.006 2.188 831 3HG2 VAL 116 HG23 VAL 116 -21.161 19.435 2.158 832 H SER 117 HN SER 117 -19.651 22.896 4.857 833 HA SER 117 HA SER 117 -16.819 23.756 4.351 834 1HB SER 117 HB2 SER 117 -19.380 25.141 4.965 835 2HB SER 117 HB1 SER 117 -17.935 25.802 5.724 836 HG SER 117 HG SER 117 -18.374 25.320 2.957 837 H GLU 118 HN GLU 118 -15.421 23.734 6.114 838 HA GLU 118 HA GLU 118 -14.638 23.188 8.275 839 1HB GLU 118 HB2 GLU 118 -17.254 24.588 8.541 840 2HB GLU 118 HB1 GLU 118 -16.630 23.800 9.991 841 1HG GLU 118 HG2 GLU 118 -15.673 25.940 10.118 842 2HG GLU 118 HG1 GLU 118 -14.388 24.983 9.381 843 H GLN 119 HN GLN 119 -15.989 21.079 6.697 844 HA GLN 119 HA GLN 119 -16.633 19.254 8.957 845 1HB GLN 119 HB2 GLN 119 -18.506 20.443 7.081 846 2HB GLN 119 HB1 GLN 119 -18.516 18.684 6.943 847 1HG GLN 119 HG2 GLN 119 -19.584 18.461 8.915 848 2HG GLN 119 HG1 GLN 119 -18.415 19.504 9.726 849 1HE2 GLN 119 HE21 GLN 119 -21.621 19.330 9.369 850 2HE2 GLN 119 HE22 GLN 119 -22.028 20.972 9.230 Start of MODEL 2 1 1H ALA 1 HT1 ALA 1 14.669 1.051 16.176 2 2H ALA 1 HT2 ALA 1 12.982 1.226 16.268 3 3H ALA 1 HT3 ALA 1 13.867 0.763 17.642 4 HA ALA 1 HA ALA 1 13.688 3.421 16.366 5 1HB ALA 1 HB1 ALA 1 12.151 2.798 18.162 6 2HB ALA 1 HB2 ALA 1 13.312 3.971 18.784 7 3HB ALA 1 HB3 ALA 1 13.498 2.259 19.165 8 H ARG 2 HN ARG 2 16.019 2.946 15.545 9 HA ARG 2 HA ARG 2 17.922 4.393 17.074 10 1HB ARG 2 HB2 ARG 2 17.431 1.681 17.924 11 2HB ARG 2 HB1 ARG 2 19.091 1.819 17.345 12 1HG ARG 2 HG2 ARG 2 18.828 4.127 18.806 13 2HG ARG 2 HG1 ARG 2 17.832 3.004 19.733 14 1HD ARG 2 HD2 ARG 2 19.708 1.405 19.849 15 2HD ARG 2 HD1 ARG 2 20.715 2.515 18.897 16 HE ARG 2 HE ARG 2 19.664 4.018 21.043 17 1HH1 ARG 2 HH21 ARG 2 21.126 0.947 21.050 18 2HH1 ARG 2 HH22 ARG 2 22.329 1.351 22.229 19 1HH2 ARG 2 HH11 ARG 2 21.469 4.708 22.346 20 2HH2 ARG 2 HH12 ARG 2 22.522 3.479 22.963 21 H ILE 3 HN ILE 3 17.742 4.835 14.574 22 HA ILE 3 HA ILE 3 18.733 4.708 12.430 23 HB ILE 3 HB ILE 3 20.939 3.593 14.193 24 1HG1 ILE 3 HG12 ILE 3 20.030 5.771 14.962 25 2HG1 ILE 3 HG11 ILE 3 21.674 5.939 14.346 26 1HG2 ILE 3 HG21 ILE 3 21.207 5.119 11.595 27 2HG2 ILE 3 HG22 ILE 3 21.169 3.357 11.654 28 3HG2 ILE 3 HG23 ILE 3 22.460 4.239 12.469 29 1HD1 ILE 3 HD11 ILE 3 20.964 7.431 12.820 30 2HD1 ILE 3 HD12 ILE 3 19.326 7.292 13.459 31 3HD1 ILE 3 HD13 ILE 3 19.856 6.233 12.152 32 H HIS 4 HN HIS 4 17.072 2.821 12.145 33 HA HIS 4 HA HIS 4 18.609 0.400 11.307 34 1HB HIS 4 HB2 HIS 4 16.332 0.658 13.245 35 2HB HIS 4 HB1 HIS 4 16.445 -0.802 12.262 36 HD1 HIS 4 HD1 HIS 4 17.531 0.446 15.412 37 HD2 HIS 4 HD2 HIS 4 19.350 -1.845 12.442 38 HE1 HIS 4 HE1 HIS 4 19.494 -0.720 16.508 39 H HIS 5 HN HIS 5 17.378 2.682 9.822 40 HA HIS 5 HA HIS 5 15.349 1.132 8.241 41 1HB HIS 5 HB2 HIS 5 15.532 4.118 8.762 42 2HB HIS 5 HB1 HIS 5 14.266 3.309 7.839 43 HD1 HIS 5 HD1 HIS 5 13.849 0.865 9.741 44 HD2 HIS 5 HD2 HIS 5 14.020 4.833 11.005 45 HE1 HIS 5 HE1 HIS 5 12.627 0.964 11.958 46 H HIS 6 HN HIS 6 15.244 3.218 6.213 47 HA HIS 6 HA HIS 6 18.016 3.342 5.140 48 1HB HIS 6 HB2 HIS 6 15.893 1.505 4.350 49 2HB HIS 6 HB1 HIS 6 16.441 2.485 2.990 50 HD1 HIS 6 HD1 HIS 6 18.848 2.134 2.152 51 HD2 HIS 6 HD2 HIS 6 17.922 -0.186 5.489 52 HE1 HIS 6 HE1 HIS 6 20.741 0.472 2.418 53 H HIS 7 HN HIS 7 15.703 5.200 6.028 54 HA HIS 7 HA HIS 7 14.862 6.574 3.587 55 1HB HIS 7 HB2 HIS 7 14.682 7.036 6.566 56 2HB HIS 7 HB1 HIS 7 14.116 8.253 5.424 57 HD1 HIS 7 HD1 HIS 7 13.729 4.729 4.356 58 HD2 HIS 7 HD2 HIS 7 11.412 7.603 6.293 59 HE1 HIS 7 HE1 HIS 7 11.346 3.871 4.321 60 H HIS 8 HN HIS 8 16.022 8.161 2.550 61 HA HIS 8 HA HIS 8 18.690 8.869 3.254 62 1HB HIS 8 HB2 HIS 8 16.590 10.260 1.558 63 2HB HIS 8 HB1 HIS 8 18.315 10.630 1.514 64 HD1 HIS 8 HD1 HIS 8 19.316 7.648 1.753 65 HD2 HIS 8 HD2 HIS 8 16.451 8.999 -0.957 66 HE1 HIS 8 HE1 HIS 8 19.300 5.988 -0.161 67 H HIS 9 HN HIS 9 19.435 10.314 4.766 68 HA HIS 9 HA HIS 9 17.449 12.151 6.044 69 1HB HIS 9 HB2 HIS 9 18.870 11.992 7.974 70 2HB HIS 9 HB1 HIS 9 18.740 10.357 7.328 71 HD1 HIS 9 HD1 HIS 9 20.884 9.219 6.657 72 HD2 HIS 9 HD2 HIS 9 21.390 13.323 7.187 73 HE1 HIS 9 HE1 HIS 9 23.368 9.666 6.455 74 H ILE 10 HN ILE 10 19.148 12.551 3.482 75 HA ILE 10 HA ILE 10 20.740 14.929 4.349 76 HB ILE 10 HB ILE 10 21.724 13.031 2.980 77 1HG1 ILE 10 HG12 ILE 10 21.634 15.814 1.772 78 2HG1 ILE 10 HG11 ILE 10 22.788 15.224 2.968 79 1HG2 ILE 10 HG21 ILE 10 21.030 12.663 0.762 80 2HG2 ILE 10 HG22 ILE 10 20.186 14.210 0.672 81 3HG2 ILE 10 HG23 ILE 10 19.507 12.888 1.621 82 1HD1 ILE 10 HD11 ILE 10 23.097 15.137 0.189 83 2HD1 ILE 10 HD12 ILE 10 22.691 13.481 0.640 84 3HD1 ILE 10 HD13 ILE 10 24.079 14.281 1.377 85 H GLU 11 HN GLU 11 20.420 16.947 3.203 86 HA GLU 11 HA GLU 11 17.646 17.502 2.525 87 1HB GLU 11 HB2 GLU 11 20.140 18.884 3.093 88 2HB GLU 11 HB1 GLU 11 19.296 19.638 1.740 89 1HG GLU 11 HG2 GLU 11 18.477 20.674 3.757 90 2HG GLU 11 HG1 GLU 11 17.200 19.618 3.153 91 H GLY 12 HN GLY 12 20.338 18.633 0.531 92 1HA GLY 12 HA2 GLY 12 20.750 17.568 -1.718 93 2HA GLY 12 HA1 GLY 12 18.999 17.387 -1.838 94 H ARG 13 HN ARG 13 19.838 18.691 -3.919 95 HA ARG 13 HA ARG 13 20.140 21.581 -3.432 96 1HB ARG 13 HB2 ARG 13 20.278 19.645 -5.690 97 2HB ARG 13 HB1 ARG 13 19.847 21.304 -6.107 98 1HG ARG 13 HG2 ARG 13 21.873 21.946 -4.583 99 2HG ARG 13 HG1 ARG 13 22.372 20.274 -4.838 100 1HD ARG 13 HD2 ARG 13 21.608 21.277 -7.385 101 2HD ARG 13 HD1 ARG 13 22.654 22.502 -6.639 102 HE ARG 13 HE ARG 13 23.935 20.128 -6.045 103 1HH1 ARG 13 HH11 ARG 13 24.759 22.281 -8.129 104 2HH1 ARG 13 HH12 ARG 13 25.047 21.274 -9.509 105 1HH2 ARG 13 HH21 ARG 13 23.428 18.516 -8.164 106 2HH2 ARG 13 HH22 ARG 13 24.293 19.141 -9.528 107 H ALA 14 HN ALA 14 17.540 19.694 -3.108 108 HA ALA 14 HA ALA 14 15.667 21.852 -3.843 109 1HB ALA 14 HB1 ALA 14 14.499 20.600 -5.487 110 2HB ALA 14 HB2 ALA 14 15.265 19.089 -4.996 111 3HB ALA 14 HB3 ALA 14 16.199 20.311 -5.859 112 HA PRO 15 HA PRO 15 13.943 19.991 -0.192 113 1HB PRO 15 HB2 PRO 15 11.777 21.649 0.016 114 2HB PRO 15 HB1 PRO 15 13.418 22.139 0.485 115 1HG PRO 15 HG2 PRO 15 11.888 22.768 -1.985 116 2HG PRO 15 HG1 PRO 15 12.999 23.784 -1.055 117 1HD PRO 15 HD2 PRO 15 13.672 22.527 -3.391 118 2HD PRO 15 HD1 PRO 15 14.843 22.974 -2.131 119 H THR 16 HN THR 16 11.412 19.469 0.373 120 HA THR 16 HA THR 16 10.384 17.954 -1.998 121 HB THR 16 HB THR 16 9.770 17.527 0.935 122 HG1 THR 16 HG1 THR 16 11.927 16.613 -0.647 123 1HG2 THR 16 HG21 THR 16 8.528 15.824 0.161 124 2HG2 THR 16 HG22 THR 16 9.926 15.164 -0.687 125 3HG2 THR 16 HG23 THR 16 8.883 16.341 -1.487 126 H GLU 17 HN GLU 17 8.910 19.433 -2.913 127 HA GLU 17 HA GLU 17 7.248 21.237 -1.508 128 1HB GLU 17 HB2 GLU 17 7.430 19.999 -4.200 129 2HB GLU 17 HB1 GLU 17 5.881 20.734 -3.787 130 1HG GLU 17 HG2 GLU 17 7.908 22.522 -2.906 131 2HG GLU 17 HG1 GLU 17 8.324 22.037 -4.551 132 H GLN 18 HN GLN 18 4.985 21.069 -0.959 133 HA GLN 18 HA GLN 18 4.129 18.718 0.315 134 1HB GLN 18 HB2 GLN 18 2.397 20.868 -0.928 135 2HB GLN 18 HB1 GLN 18 2.020 19.890 0.491 136 1HG GLN 18 HG2 GLN 18 4.350 20.928 1.326 137 2HG GLN 18 HG1 GLN 18 3.859 22.220 0.231 138 1HE2 GLN 18 HE21 GLN 18 3.620 21.300 3.418 139 2HE2 GLN 18 HE22 GLN 18 2.167 22.077 3.826 140 H SER 19 HN SER 19 3.508 19.842 -3.002 141 HA SER 19 HA SER 19 1.519 18.038 -3.814 142 1HB SER 19 HB2 SER 19 3.281 18.276 -5.967 143 2HB SER 19 HB1 SER 19 1.969 19.383 -5.576 144 HG SER 19 HG SER 19 3.959 20.476 -5.710 145 HA PRO 20 HA PRO 20 4.799 14.792 -5.053 146 1HB PRO 20 HB2 PRO 20 7.423 15.299 -4.457 147 2HB PRO 20 HB1 PRO 20 6.660 15.808 -5.977 148 1HG PRO 20 HG2 PRO 20 7.222 17.394 -3.518 149 2HG PRO 20 HG1 PRO 20 7.378 17.858 -5.220 150 1HD PRO 20 HD2 PRO 20 5.284 18.616 -3.666 151 2HD PRO 20 HD1 PRO 20 5.153 18.374 -5.422 152 H GLY 21 HN GLY 21 5.098 12.998 -3.720 153 1HA GLY 21 HA2 GLY 21 6.360 12.317 -1.544 154 2HA GLY 21 HA1 GLY 21 5.344 13.552 -0.799 155 H VAL 22 HN VAL 22 5.428 10.308 -2.045 156 HA VAL 22 HA VAL 22 2.722 9.845 -0.892 157 HB VAL 22 HB VAL 22 2.467 10.407 -3.295 158 1HG1 VAL 22 HG11 VAL 22 3.737 9.468 -4.948 159 2HG1 VAL 22 HG12 VAL 22 3.795 7.897 -4.149 160 3HG1 VAL 22 HG13 VAL 22 4.874 9.191 -3.629 161 1HG2 VAL 22 HG21 VAL 22 0.741 8.967 -3.017 162 2HG2 VAL 22 HG22 VAL 22 1.722 7.866 -2.049 163 3HG2 VAL 22 HG23 VAL 22 1.759 7.765 -3.809 164 H GLN 23 HN GLN 23 2.855 8.022 0.364 165 HA GLN 23 HA GLN 23 4.257 5.645 -0.492 166 1HB GLN 23 HB2 GLN 23 5.784 7.594 0.671 167 2HB GLN 23 HB1 GLN 23 5.284 6.659 2.082 168 1HG GLN 23 HG2 GLN 23 5.951 4.619 0.479 169 2HG GLN 23 HG1 GLN 23 7.008 5.851 -0.213 170 1HE2 GLN 23 HE21 GLN 23 8.818 6.561 1.045 171 2HE2 GLN 23 HE22 GLN 23 9.210 5.892 2.555 172 H ASP 24 HN ASP 24 4.588 4.879 2.305 173 HA ASP 24 HA ASP 24 2.437 3.390 2.984 174 1HB ASP 24 HB2 ASP 24 3.097 3.809 5.324 175 2HB ASP 24 HB1 ASP 24 4.512 3.691 4.278 176 H CYS 25 HN CYS 25 0.405 4.288 2.279 177 HA CYS 25 HA CYS 25 -0.875 6.073 4.242 178 1HB CYS 25 HB2 CYS 25 0.479 7.227 2.174 179 2HB CYS 25 HB1 CYS 25 -1.135 7.075 1.486 180 H TYR 26 HN TYR 26 -3.167 6.110 3.998 181 HA TYR 26 HA TYR 26 -4.455 4.709 1.764 182 1HB TYR 26 HB2 TYR 26 -5.205 2.817 2.989 183 2HB TYR 26 HB1 TYR 26 -3.509 2.979 3.429 184 HD1 TYR 26 HD1 TYR 26 -6.958 3.926 4.542 185 HD2 TYR 26 HD2 TYR 26 -2.880 3.223 5.671 186 HE1 TYR 26 HE1 TYR 26 -7.587 4.117 6.935 187 HE2 TYR 26 HE2 TYR 26 -3.502 3.415 8.063 188 HH TYR 26 HH TYR 26 -5.242 4.367 9.438 189 H HIS 27 HN HIS 27 -6.820 4.928 1.902 190 HA HIS 27 HA HIS 27 -7.615 7.128 3.775 191 1HB HIS 27 HB2 HIS 27 -7.635 7.709 1.402 192 2HB HIS 27 HB1 HIS 27 -8.611 6.287 1.032 193 HD1 HIS 27 HD1 HIS 27 -8.916 9.805 1.857 194 HD2 HIS 27 HD2 HIS 27 -11.266 6.413 2.450 195 HE1 HIS 27 HE1 HIS 27 -11.248 10.634 2.398 196 H GLY 28 HN GLY 28 -8.849 6.331 5.436 197 1HA GLY 28 HA2 GLY 28 -10.574 5.177 6.534 198 2HA GLY 28 HA1 GLY 28 -11.273 4.863 4.946 199 H ASP 29 HN ASP 29 -10.113 3.102 3.652 200 HA ASP 29 HA ASP 29 -8.981 1.001 5.448 201 1HB ASP 29 HB2 ASP 29 -10.978 0.507 3.247 202 2HB ASP 29 HB1 ASP 29 -10.505 -0.595 4.540 203 H GLY 30 HN GLY 30 -8.059 2.925 3.141 204 1HA GLY 30 HA2 GLY 30 -6.588 2.770 1.319 205 2HA GLY 30 HA1 GLY 30 -6.005 1.296 2.095 206 H GLN 31 HN GLN 31 -9.349 1.151 1.503 207 HA GLN 31 HA GLN 31 -9.132 -1.040 -0.324 208 1HB GLN 31 HB2 GLN 31 -11.030 -0.272 1.253 209 2HB GLN 31 HB1 GLN 31 -11.494 0.825 -0.048 210 1HG GLN 31 HG2 GLN 31 -12.189 -0.879 -1.427 211 2HG GLN 31 HG1 GLN 31 -11.000 -2.017 -0.792 212 1HE2 GLN 31 HE21 GLN 31 -13.871 -0.192 0.439 213 2HE2 GLN 31 HE22 GLN 31 -14.479 -1.487 1.353 214 H SER 32 HN SER 32 -9.363 2.438 -0.817 215 HA SER 32 HA SER 32 -9.822 2.154 -3.721 216 1HB SER 32 HB2 SER 32 -10.514 3.989 -1.837 217 2HB SER 32 HB1 SER 32 -9.060 4.745 -2.485 218 HG SER 32 HG SER 32 -11.405 4.875 -3.519 219 H TYR 33 HN TYR 33 -7.198 1.576 -1.902 220 HA TYR 33 HA TYR 33 -5.117 3.227 -2.939 221 1HB TYR 33 HB2 TYR 33 -5.165 1.490 -1.016 222 2HB TYR 33 HB1 TYR 33 -4.847 0.291 -2.271 223 HD1 TYR 33 HD1 TYR 33 -2.787 0.548 -3.737 224 HD2 TYR 33 HD2 TYR 33 -3.451 2.924 -0.219 225 HE1 TYR 33 HE1 TYR 33 -0.390 1.189 -3.713 226 HE2 TYR 33 HE2 TYR 33 -1.057 3.562 -0.195 227 HH TYR 33 HH TYR 33 0.820 3.701 -2.206 228 H ARG 34 HN ARG 34 -5.567 3.466 -5.234 229 HA ARG 34 HA ARG 34 -5.544 1.073 -6.954 230 1HB ARG 34 HB2 ARG 34 -6.323 3.857 -7.052 231 2HB ARG 34 HB1 ARG 34 -5.311 3.468 -8.444 232 1HG ARG 34 HG2 ARG 34 -7.554 2.964 -9.103 233 2HG ARG 34 HG1 ARG 34 -6.784 1.411 -8.774 234 1HD ARG 34 HD2 ARG 34 -7.872 1.205 -6.652 235 2HD ARG 34 HD1 ARG 34 -8.392 2.902 -6.679 236 HE ARG 34 HE ARG 34 -9.450 0.782 -8.502 237 1HH1 ARG 34 HH11 ARG 34 -9.266 4.062 -8.579 238 2HH1 ARG 34 HH12 ARG 34 -10.967 4.371 -8.486 239 1HH2 ARG 34 HH21 ARG 34 -11.789 1.092 -7.711 240 2HH2 ARG 34 HH22 ARG 34 -12.396 2.689 -7.995 241 H GLY 35 HN GLY 35 -3.212 0.728 -5.852 242 1HA GLY 35 HA2 GLY 35 -1.267 1.595 -7.900 243 2HA GLY 35 HA1 GLY 35 -0.907 2.060 -6.238 244 H SER 36 HN SER 36 1.041 0.640 -6.749 245 HA SER 36 HA SER 36 0.387 -2.240 -6.201 246 1HB SER 36 HB2 SER 36 1.288 -2.120 -8.381 247 2HB SER 36 HB1 SER 36 2.420 -0.845 -7.938 248 HG SER 36 HG SER 36 3.501 -2.818 -8.088 249 H PHE 37 HN PHE 37 0.527 -1.031 -3.903 250 HA PHE 37 HA PHE 37 3.311 -0.641 -2.984 251 1HB PHE 37 HB2 PHE 37 1.425 0.848 -2.341 252 2HB PHE 37 HB1 PHE 37 0.644 -0.517 -1.544 253 HD1 PHE 37 HD1 PHE 37 3.791 1.496 -1.571 254 HD2 PHE 37 HD2 PHE 37 1.210 -1.105 0.672 255 HE1 PHE 37 HE1 PHE 37 5.142 1.912 0.466 256 HE2 PHE 37 HE2 PHE 37 2.562 -0.688 2.710 257 HZ PHE 37 HZ PHE 37 4.528 0.821 2.607 258 H SER 38 HN SER 38 3.572 -3.128 -3.574 259 HA SER 38 HA SER 38 2.402 -5.096 -1.813 260 1HB SER 38 HB2 SER 38 3.567 -6.514 -3.175 261 2HB SER 38 HB1 SER 38 3.731 -5.066 -4.163 262 HG SER 38 HG SER 38 5.788 -5.159 -3.797 263 H THR 39 HN THR 39 3.628 -2.922 -0.206 264 HA THR 39 HA THR 39 6.002 -4.292 0.968 265 HB THR 39 HB THR 39 4.894 -1.602 1.762 266 HG1 THR 39 HG1 THR 39 6.456 -2.211 -0.524 267 1HG2 THR 39 HG21 THR 39 7.039 -1.184 2.524 268 2HG2 THR 39 HG22 THR 39 7.781 -2.262 1.341 269 3HG2 THR 39 HG23 THR 39 6.964 -2.931 2.755 270 H THR 40 HN THR 40 5.602 -5.546 2.759 271 HA THR 40 HA THR 40 2.974 -5.463 4.057 272 HB THR 40 HB THR 40 3.910 -7.394 5.281 273 HG1 THR 40 HG1 THR 40 5.997 -7.750 5.322 274 1HG2 THR 40 HG21 THR 40 3.253 -8.430 3.389 275 2HG2 THR 40 HG22 THR 40 4.947 -8.396 2.902 276 3HG2 THR 40 HG23 THR 40 3.853 -7.116 2.377 277 H VAL 41 HN VAL 41 2.957 -5.509 6.544 278 HA VAL 41 HA VAL 41 3.798 -3.045 7.635 279 HB VAL 41 HB VAL 41 3.071 -5.746 8.789 280 1HG1 VAL 41 HG11 VAL 41 3.967 -3.239 10.166 281 2HG1 VAL 41 HG12 VAL 41 4.248 -4.922 10.614 282 3HG1 VAL 41 HG13 VAL 41 2.671 -4.185 10.898 283 1HG2 VAL 41 HG21 VAL 41 0.929 -4.878 8.955 284 2HG2 VAL 41 HG22 VAL 41 1.496 -4.008 7.530 285 3HG2 VAL 41 HG23 VAL 41 1.501 -3.217 9.106 286 H THR 42 HN THR 42 5.368 -6.252 7.810 287 HA THR 42 HA THR 42 7.554 -5.451 9.499 288 HB THR 42 HB THR 42 8.294 -7.560 7.713 289 HG1 THR 42 HG1 THR 42 5.808 -8.181 8.770 290 1HG2 THR 42 HG21 THR 42 7.051 -7.761 10.465 291 2HG2 THR 42 HG22 THR 42 8.735 -7.319 10.183 292 3HG2 THR 42 HG23 THR 42 8.149 -8.911 9.702 293 H GLY 43 HN GLY 43 6.835 -4.760 6.219 294 1HA GLY 43 HA2 GLY 43 8.136 -3.144 4.958 295 2HA GLY 43 HA1 GLY 43 9.567 -3.638 5.864 296 H ARG 44 HN ARG 44 7.871 -6.394 5.060 297 HA ARG 44 HA ARG 44 9.862 -7.171 3.065 298 1HB ARG 44 HB2 ARG 44 7.916 -8.355 4.837 299 2HB ARG 44 HB1 ARG 44 7.720 -9.023 3.216 300 1HG ARG 44 HG2 ARG 44 9.486 -10.355 3.646 301 2HG ARG 44 HG1 ARG 44 10.493 -8.908 3.612 302 1HD ARG 44 HD2 ARG 44 10.968 -9.345 5.793 303 2HD ARG 44 HD1 ARG 44 9.296 -8.871 6.154 304 HE ARG 44 HE ARG 44 8.692 -11.298 5.670 305 1HH1 ARG 44 HH11 ARG 44 10.147 -11.017 8.294 306 2HH1 ARG 44 HH12 ARG 44 11.347 -12.260 8.168 307 1HH2 ARG 44 HH21 ARG 44 10.992 -12.620 4.736 308 2HH2 ARG 44 HH22 ARG 44 11.826 -13.167 6.153 309 H THR 45 HN THR 45 8.529 -8.621 1.201 310 HA THR 45 HA THR 45 6.935 -6.549 -0.260 311 HB THR 45 HB THR 45 8.740 -8.832 -1.090 312 HG1 THR 45 HG1 THR 45 10.056 -7.257 -1.581 313 1HG2 THR 45 HG21 THR 45 6.899 -7.137 -2.796 314 2HG2 THR 45 HG22 THR 45 6.840 -8.889 -2.595 315 3HG2 THR 45 HG23 THR 45 8.199 -8.143 -3.437 316 H CYS 46 HN CYS 46 4.883 -7.104 -1.021 317 HA CYS 46 HA CYS 46 3.550 -9.372 0.131 318 1HB CYS 46 HB2 CYS 46 2.046 -7.684 -0.174 319 2HB CYS 46 HB1 CYS 46 2.986 -6.972 -1.475 320 H GLN 47 HN GLN 47 2.833 -11.283 -0.945 321 HA GLN 47 HA GLN 47 4.423 -12.025 -3.331 322 1HB GLN 47 HB2 GLN 47 4.391 -13.600 -1.541 323 2HB GLN 47 HB1 GLN 47 2.645 -13.469 -1.355 324 1HG GLN 47 HG2 GLN 47 3.267 -14.231 -4.063 325 2HG GLN 47 HG1 GLN 47 4.072 -15.329 -2.944 326 1HE2 GLN 47 HE21 GLN 47 2.697 -17.144 -2.949 327 2HE2 GLN 47 HE22 GLN 47 1.037 -17.080 -2.596 328 H SER 48 HN SER 48 3.417 -12.729 -5.307 329 HA SER 48 HA SER 48 1.123 -11.376 -6.236 330 1HB SER 48 HB2 SER 48 3.009 -13.352 -7.105 331 2HB SER 48 HB1 SER 48 1.395 -13.889 -7.561 332 HG SER 48 HG SER 48 2.681 -11.434 -8.167 333 H TRP 49 HN TRP 49 -1.087 -12.028 -6.397 334 HA TRP 49 HA TRP 49 -2.088 -13.717 -4.275 335 1HB TRP 49 HB2 TRP 49 -3.392 -12.687 -6.817 336 2HB TRP 49 HB1 TRP 49 -4.241 -13.251 -5.379 337 HD1 TRP 49 HD1 TRP 49 -2.192 -10.322 -6.697 338 HE1 TRP 49 HE1 TRP 49 -2.450 -8.350 -5.078 339 HE3 TRP 49 HE3 TRP 49 -4.668 -12.590 -2.908 340 HZ2 TRP 49 HZ2 TRP 49 -3.539 -7.793 -2.514 341 HZ3 TRP 49 HZ3 TRP 49 -5.317 -11.338 -0.868 342 HH2 TRP 49 HH2 TRP 49 -4.751 -8.930 -0.667 343 H SER 50 HN SER 50 -1.667 -14.095 -7.776 344 HA SER 50 HA SER 50 -2.658 -16.845 -7.839 345 1HB SER 50 HB2 SER 50 -2.883 -15.252 -9.697 346 2HB SER 50 HB1 SER 50 -1.131 -15.103 -9.797 347 HG SER 50 HG SER 50 -2.813 -17.225 -10.522 348 H SER 51 HN SER 51 -0.211 -16.168 -6.083 349 HA SER 51 HA SER 51 1.950 -17.650 -7.458 350 1HB SER 51 HB2 SER 51 1.596 -15.917 -5.053 351 2HB SER 51 HB1 SER 51 2.912 -17.088 -5.011 352 HG SER 51 HG SER 51 3.591 -16.211 -7.042 353 H MET 52 HN MET 52 1.018 -19.784 -7.494 354 HA MET 52 HA MET 52 0.181 -21.005 -4.937 355 1HB MET 52 HB2 MET 52 0.499 -22.349 -7.621 356 2HB MET 52 HB1 MET 52 -0.630 -22.739 -6.332 357 1HG MET 52 HG2 MET 52 -0.778 -20.555 -8.373 358 2HG MET 52 HG1 MET 52 -2.037 -21.649 -7.818 359 1HE MET 52 HE1 MET 52 -3.161 -21.016 -4.849 360 2HE MET 52 HE2 MET 52 -1.737 -20.354 -4.050 361 3HE MET 52 HE3 MET 52 -1.580 -21.760 -5.088 362 H THR 53 HN THR 53 2.949 -20.175 -5.109 363 HA THR 53 HA THR 53 4.415 -22.756 -5.384 364 HB THR 53 HB THR 53 6.245 -20.725 -4.932 365 HG1 THR 53 HG1 THR 53 4.205 -19.714 -6.610 366 1HG2 THR 53 HG21 THR 53 5.579 -22.531 -6.926 367 2HG2 THR 53 HG22 THR 53 6.959 -21.434 -6.953 368 3HG2 THR 53 HG23 THR 53 5.448 -20.970 -7.734 369 HA PRO 54 HA PRO 54 5.790 -21.465 -1.040 370 1HB PRO 54 HB2 PRO 54 5.064 -19.031 -0.028 371 2HB PRO 54 HB1 PRO 54 6.518 -19.269 -1.015 372 1HG PRO 54 HG2 PRO 54 3.868 -18.167 -1.792 373 2HG PRO 54 HG1 PRO 54 5.490 -17.675 -2.302 374 1HD PRO 54 HD2 PRO 54 3.813 -19.208 -3.822 375 2HD PRO 54 HD1 PRO 54 5.583 -19.238 -3.956 376 H HIS 55 HN HIS 55 3.239 -19.209 -0.264 377 HA HIS 55 HA HIS 55 1.775 -21.371 1.149 378 1HB HIS 55 HB2 HIS 55 0.818 -18.547 1.164 379 2HB HIS 55 HB1 HIS 55 1.014 -19.667 2.508 380 HD1 HIS 55 HD1 HIS 55 2.923 -17.221 0.387 381 HD2 HIS 55 HD2 HIS 55 3.558 -19.576 3.765 382 HE1 HIS 55 HE1 HIS 55 5.130 -16.485 1.364 383 H TRP 56 HN TRP 56 0.311 -22.455 -0.147 384 HA TRP 56 HA TRP 56 -0.949 -21.178 -2.451 385 1HB TRP 56 HB2 TRP 56 -0.258 -23.646 -2.049 386 2HB TRP 56 HB1 TRP 56 -1.765 -23.771 -1.138 387 HD1 TRP 56 HD1 TRP 56 -3.894 -22.475 -2.667 388 HE1 TRP 56 HE1 TRP 56 -4.514 -23.003 -5.081 389 HE3 TRP 56 HE3 TRP 56 0.438 -24.633 -4.187 390 HZ2 TRP 56 HZ2 TRP 56 -3.335 -24.207 -7.386 391 HZ3 TRP 56 HZ3 TRP 56 0.671 -25.450 -6.504 392 HH2 TRP 56 HH2 TRP 56 -1.203 -25.256 -8.112 393 H HIS 57 HN HIS 57 -3.133 -20.529 -2.619 394 HA HIS 57 HA HIS 57 -5.011 -20.950 -0.420 395 1HB HIS 57 HB2 HIS 57 -5.130 -18.521 0.140 396 2HB HIS 57 HB1 HIS 57 -3.532 -19.192 0.470 397 HD1 HIS 57 HD1 HIS 57 -5.259 -17.601 -2.554 398 HD2 HIS 57 HD2 HIS 57 -1.567 -17.597 -0.618 399 HE1 HIS 57 HE1 HIS 57 -3.770 -16.026 -3.858 400 H GLN 58 HN GLN 58 -6.966 -19.297 -0.847 401 HA GLN 58 HA GLN 58 -7.670 -19.616 -3.719 402 1HB GLN 58 HB2 GLN 58 -9.271 -18.871 -1.246 403 2HB GLN 58 HB1 GLN 58 -9.954 -19.206 -2.837 404 1HG GLN 58 HG2 GLN 58 -8.138 -21.298 -1.817 405 2HG GLN 58 HG1 GLN 58 -9.621 -21.094 -0.884 406 1HE2 GLN 58 HE21 GLN 58 -9.604 -20.301 -4.315 407 2HE2 GLN 58 HE22 GLN 58 -10.534 -21.629 -4.817 408 H ARG 59 HN ARG 59 -9.680 -17.491 -3.586 409 HA ARG 59 HA ARG 59 -9.749 -15.229 -4.314 410 1HB ARG 59 HB2 ARG 59 -8.619 -15.562 -1.630 411 2HB ARG 59 HB1 ARG 59 -8.174 -14.023 -2.369 412 1HG ARG 59 HG2 ARG 59 -10.288 -13.781 -1.151 413 2HG ARG 59 HG1 ARG 59 -10.566 -13.600 -2.884 414 1HD ARG 59 HD2 ARG 59 -10.766 -16.397 -2.089 415 2HD ARG 59 HD1 ARG 59 -11.907 -15.381 -1.185 416 HE ARG 59 HE ARG 59 -11.853 -14.631 -3.974 417 1HH1 ARG 59 HH21 ARG 59 -12.309 -17.723 -2.972 418 2HH1 ARG 59 HH22 ARG 59 -13.990 -17.832 -3.372 419 1HH2 ARG 59 HH11 ARG 59 -14.341 -14.434 -3.967 420 2HH2 ARG 59 HH12 ARG 59 -15.141 -15.970 -3.937 421 H THR 60 HN THR 60 -8.403 -15.665 -6.260 422 HA THR 60 HA THR 60 -5.647 -14.486 -6.021 423 HB THR 60 HB THR 60 -5.171 -16.670 -6.640 424 HG1 THR 60 HG1 THR 60 -4.383 -16.123 -8.479 425 1HG2 THR 60 HG21 THR 60 -7.479 -17.482 -6.528 426 2HG2 THR 60 HG22 THR 60 -6.707 -18.082 -7.996 427 3HG2 THR 60 HG23 THR 60 -7.835 -16.729 -8.083 428 H THR 61 HN THR 61 -4.917 -13.495 -8.105 429 HA THR 61 HA THR 61 -6.915 -11.688 -9.150 430 HB THR 61 HB THR 61 -4.794 -11.542 -10.858 431 HG1 THR 61 HG1 THR 61 -3.006 -11.919 -9.262 432 1HG2 THR 61 HG21 THR 61 -5.175 -10.487 -8.060 433 2HG2 THR 61 HG22 THR 61 -5.520 -9.674 -9.587 434 3HG2 THR 61 HG23 THR 61 -3.849 -9.951 -9.092 435 H GLU 62 HN GLU 62 -6.051 -14.925 -9.842 436 HA GLU 62 HA GLU 62 -6.694 -14.919 -12.648 437 1HB GLU 62 HB2 GLU 62 -5.628 -16.667 -10.712 438 2HB GLU 62 HB1 GLU 62 -7.115 -17.439 -11.266 439 1HG GLU 62 HG2 GLU 62 -6.217 -17.937 -13.277 440 2HG GLU 62 HG1 GLU 62 -5.581 -16.303 -13.475 441 H TYR 63 HN TYR 63 -8.389 -15.203 -9.641 442 HA TYR 63 HA TYR 63 -10.938 -15.770 -11.057 443 1HB TYR 63 HB2 TYR 63 -9.743 -16.375 -8.478 444 2HB TYR 63 HB1 TYR 63 -11.321 -15.614 -8.270 445 HD1 TYR 63 HD1 TYR 63 -9.564 -18.628 -9.181 446 HD2 TYR 63 HD2 TYR 63 -13.311 -16.562 -9.568 447 HE1 TYR 63 HE1 TYR 63 -10.674 -20.756 -9.805 448 HE2 TYR 63 HE2 TYR 63 -14.420 -18.691 -10.192 449 HH TYR 63 HH TYR 63 -14.028 -21.135 -9.850 450 H TYR 64 HN TYR 64 -9.068 -13.159 -10.270 451 HA TYR 64 HA TYR 64 -11.482 -11.396 -10.071 452 1HB TYR 64 HB2 TYR 64 -9.140 -11.634 -8.187 453 2HB TYR 64 HB1 TYR 64 -10.030 -10.117 -8.320 454 HD1 TYR 64 HD1 TYR 64 -10.209 -13.652 -7.303 455 HD2 TYR 64 HD2 TYR 64 -12.362 -9.947 -7.612 456 HE1 TYR 64 HE1 TYR 64 -11.989 -14.563 -5.837 457 HE2 TYR 64 HE2 TYR 64 -14.141 -10.859 -6.144 458 HH TYR 64 HH TYR 64 -14.719 -12.545 -4.792 459 HA PRO 65 HA PRO 65 -8.437 -9.854 -13.137 460 1HB PRO 65 HB2 PRO 65 -10.312 -9.117 -14.988 461 2HB PRO 65 HB1 PRO 65 -9.664 -10.765 -14.876 462 1HG PRO 65 HG2 PRO 65 -12.256 -9.682 -13.910 463 2HG PRO 65 HG1 PRO 65 -11.881 -11.266 -14.606 464 1HD PRO 65 HD2 PRO 65 -12.225 -10.802 -11.922 465 2HD PRO 65 HD1 PRO 65 -11.276 -12.147 -12.591 466 H ASN 66 HN ASN 66 -10.843 -8.557 -11.177 467 HA ASN 66 HA ASN 66 -10.115 -5.762 -11.993 468 1HB ASN 66 HB2 ASN 66 -12.446 -5.216 -11.190 469 2HB ASN 66 HB1 ASN 66 -12.407 -6.275 -12.599 470 1HD2 ASN 66 HD21 ASN 66 -13.823 -5.945 -9.568 471 2HD2 ASN 66 HD22 ASN 66 -14.244 -7.567 -9.298 472 H GLY 67 HN GLY 67 -9.295 -7.882 -9.765 473 1HA GLY 67 HA2 GLY 67 -10.051 -6.814 -7.238 474 2HA GLY 67 HA1 GLY 67 -8.566 -7.720 -7.536 475 H GLY 68 HN GLY 68 -7.675 -5.764 -9.590 476 1HA GLY 68 HA2 GLY 68 -6.656 -3.625 -9.713 477 2HA GLY 68 HA1 GLY 68 -7.344 -3.240 -8.133 478 H LEU 69 HN LEU 69 -6.057 -6.215 -7.746 479 HA LEU 69 HA LEU 69 -3.448 -5.094 -6.830 480 1HB LEU 69 HB2 LEU 69 -3.669 -7.077 -5.193 481 2HB LEU 69 HB1 LEU 69 -4.741 -5.718 -4.965 482 HG LEU 69 HG LEU 69 -6.548 -6.885 -6.110 483 1HD1 LEU 69 HD11 LEU 69 -4.447 -9.034 -6.467 484 2HD1 LEU 69 HD12 LEU 69 -5.340 -8.194 -7.733 485 3HD1 LEU 69 HD13 LEU 69 -6.171 -9.329 -6.672 486 1HD2 LEU 69 HD21 LEU 69 -7.078 -7.917 -4.173 487 2HD2 LEU 69 HD22 LEU 69 -5.448 -7.526 -3.622 488 3HD2 LEU 69 HD23 LEU 69 -5.775 -9.090 -4.369 489 H THR 70 HN THR 70 -3.694 -5.912 -9.426 490 HA THR 70 HA THR 70 -3.246 -8.558 -10.186 491 HB THR 70 HB THR 70 -1.971 -7.519 -12.069 492 HG1 THR 70 HG1 THR 70 -2.389 -5.014 -10.930 493 1HG2 THR 70 HG21 THR 70 -4.460 -6.078 -11.122 494 2HG2 THR 70 HG22 THR 70 -4.384 -7.473 -12.197 495 3HG2 THR 70 HG23 THR 70 -3.782 -5.908 -12.741 496 H ARG 71 HN ARG 71 -1.218 -9.702 -10.670 497 HA ARG 71 HA ARG 71 0.814 -10.634 -9.901 498 1HB ARG 71 HB2 ARG 71 1.377 -7.650 -9.813 499 2HB ARG 71 HB1 ARG 71 2.604 -8.916 -9.885 500 1HG ARG 71 HG2 ARG 71 2.409 -8.997 -12.122 501 2HG ARG 71 HG1 ARG 71 0.697 -9.397 -11.965 502 1HD ARG 71 HD2 ARG 71 0.517 -6.767 -11.466 503 2HD ARG 71 HD1 ARG 71 1.979 -6.747 -12.473 504 HE ARG 71 HE ARG 71 0.266 -8.444 -13.836 505 1HH1 ARG 71 HH21 ARG 71 0.190 -5.203 -12.647 506 2HH1 ARG 71 HH22 ARG 71 -0.954 -4.661 -13.827 507 1HH2 ARG 71 HH11 ARG 71 -1.263 -7.760 -15.349 508 2HH2 ARG 71 HH12 ARG 71 -1.776 -6.106 -15.356 509 H ASN 72 HN ASN 72 2.435 -8.652 -8.032 510 HA ASN 72 HA ASN 72 1.292 -9.750 -5.513 511 1HB ASN 72 HB2 ASN 72 3.523 -9.248 -4.661 512 2HB ASN 72 HB1 ASN 72 3.671 -10.107 -6.192 513 1HD2 ASN 72 HD21 ASN 72 3.433 -6.702 -5.012 514 2HD2 ASN 72 HD22 ASN 72 4.537 -6.076 -6.128 515 H TYR 73 HN TYR 73 0.010 -7.400 -6.837 516 HA TYR 73 HA TYR 73 0.898 -5.008 -5.415 517 1HB TYR 73 HB2 TYR 73 -1.599 -5.768 -6.965 518 2HB TYR 73 HB1 TYR 73 -1.294 -4.145 -6.359 519 HD1 TYR 73 HD1 TYR 73 1.831 -5.572 -7.078 520 HD2 TYR 73 HD2 TYR 73 -1.610 -3.891 -9.030 521 HE1 TYR 73 HE1 TYR 73 3.205 -5.082 -9.082 522 HE2 TYR 73 HE2 TYR 73 -0.233 -3.402 -11.033 523 HH TYR 73 HH TYR 73 1.748 -3.795 -12.042 524 H CYS 74 HN CYS 74 0.257 -4.327 -3.443 525 HA CYS 74 HA CYS 74 -1.258 -6.056 -1.668 526 1HB CYS 74 HB2 CYS 74 0.710 -4.420 -1.225 527 2HB CYS 74 HB1 CYS 74 -0.526 -3.162 -1.204 528 H ARG 75 HN ARG 75 -3.373 -5.734 -0.889 529 HA ARG 75 HA ARG 75 -4.903 -3.332 -1.641 530 1HB ARG 75 HB2 ARG 75 -4.783 -5.733 -3.234 531 2HB ARG 75 HB1 ARG 75 -6.430 -5.487 -2.657 532 1HG ARG 75 HG2 ARG 75 -5.575 -2.929 -3.411 533 2HG ARG 75 HG1 ARG 75 -4.957 -3.982 -4.679 534 1HD ARG 75 HD2 ARG 75 -7.260 -4.989 -4.880 535 2HD ARG 75 HD1 ARG 75 -7.839 -3.752 -3.746 536 HE ARG 75 HE ARG 75 -6.553 -3.110 -6.374 537 1HH1 ARG 75 HH11 ARG 75 -7.270 -1.450 -3.656 538 2HH1 ARG 75 HH12 ARG 75 -8.471 -0.409 -4.342 539 1HH2 ARG 75 HH21 ARG 75 -8.701 -2.188 -7.310 540 2HH2 ARG 75 HH22 ARG 75 -9.280 -0.826 -6.411 541 H ASN 76 HN ASN 76 -7.320 -3.736 -0.933 542 HA ASN 76 HA ASN 76 -7.356 -5.492 1.501 543 1HB ASN 76 HB2 ASN 76 -7.090 -2.862 1.642 544 2HB ASN 76 HB1 ASN 76 -8.827 -2.882 1.344 545 1HD2 ASN 76 HD21 ASN 76 -8.868 -1.984 3.673 546 2HD2 ASN 76 HD22 ASN 76 -8.860 -3.109 4.944 547 HA PRO 77 HA PRO 77 -10.981 -6.485 -1.147 548 1HB PRO 77 HB2 PRO 77 -10.863 -9.184 -0.720 549 2HB PRO 77 HB1 PRO 77 -9.928 -8.366 -1.988 550 1HG PRO 77 HG2 PRO 77 -9.053 -9.332 0.683 551 2HG PRO 77 HG1 PRO 77 -8.186 -9.333 -0.859 552 1HD PRO 77 HD2 PRO 77 -7.753 -7.513 1.144 553 2HD PRO 77 HD1 PRO 77 -7.419 -7.203 -0.574 554 H ASP 78 HN ASP 78 -10.212 -6.499 2.099 555 HA ASP 78 HA ASP 78 -12.904 -7.564 2.892 556 1HB ASP 78 HB2 ASP 78 -10.306 -8.223 3.705 557 2HB ASP 78 HB1 ASP 78 -10.937 -7.224 5.015 558 H ALA 79 HN ALA 79 -11.147 -4.727 2.479 559 HA ALA 79 HA ALA 79 -11.590 -2.501 3.146 560 1HB ALA 79 HB1 ALA 79 -13.926 -3.524 2.687 561 2HB ALA 79 HB2 ALA 79 -13.864 -2.063 3.673 562 3HB ALA 79 HB3 ALA 79 -14.073 -3.637 4.441 563 H GLU 80 HN GLU 80 -10.578 -4.815 5.100 564 HA GLU 80 HA GLU 80 -11.238 -4.104 7.769 565 1HB GLU 80 HB2 GLU 80 -9.708 -5.964 6.503 566 2HB GLU 80 HB1 GLU 80 -8.448 -4.913 7.151 567 1HG GLU 80 HG2 GLU 80 -8.853 -5.550 9.288 568 2HG GLU 80 HG1 GLU 80 -10.602 -5.483 9.068 569 H ILE 81 HN ILE 81 -8.690 -3.474 8.923 570 HA ILE 81 HA ILE 81 -8.691 -0.677 9.046 571 HB ILE 81 HB ILE 81 -6.299 -1.023 9.825 572 1HG1 ILE 81 HG12 ILE 81 -6.118 -3.763 10.031 573 2HG1 ILE 81 HG11 ILE 81 -6.790 -3.553 8.414 574 1HG2 ILE 81 HG21 ILE 81 -7.552 -3.206 11.232 575 2HG2 ILE 81 HG22 ILE 81 -8.728 -1.924 10.936 576 3HG2 ILE 81 HG23 ILE 81 -7.229 -1.566 11.794 577 1HD1 ILE 81 HD11 ILE 81 -4.825 -2.798 7.621 578 2HD1 ILE 81 HD12 ILE 81 -4.105 -3.253 9.165 579 3HD1 ILE 81 HD13 ILE 81 -4.700 -1.612 8.920 580 H SER 82 HN SER 82 -7.009 -2.791 6.747 581 HA SER 82 HA SER 82 -6.857 -0.735 4.731 582 1HB SER 82 HB2 SER 82 -4.906 -0.706 6.800 583 2HB SER 82 HB1 SER 82 -4.096 -1.260 5.338 584 HG SER 82 HG SER 82 -5.419 0.618 4.396 585 HA PRO 83 HA PRO 83 -5.804 -4.114 2.152 586 1HB PRO 83 HB2 PRO 83 -3.745 -3.241 0.576 587 2HB PRO 83 HB1 PRO 83 -5.414 -2.660 0.409 588 1HG PRO 83 HG2 PRO 83 -3.085 -1.367 1.722 589 2HG PRO 83 HG1 PRO 83 -4.392 -0.644 0.775 590 1HD PRO 83 HD2 PRO 83 -4.271 -0.578 3.506 591 2HD PRO 83 HD1 PRO 83 -5.781 -0.483 2.578 592 H TRP 84 HN TRP 84 -4.551 -5.959 2.057 593 HA TRP 84 HA TRP 84 -1.831 -5.950 3.299 594 1HB TRP 84 HB2 TRP 84 -2.615 -8.065 4.498 595 2HB TRP 84 HB1 TRP 84 -3.363 -6.570 5.062 596 HD1 TRP 84 HD1 TRP 84 -5.908 -6.221 4.637 597 HE1 TRP 84 HE1 TRP 84 -7.786 -7.752 3.756 598 HE3 TRP 84 HE3 TRP 84 -3.111 -10.072 2.779 599 HZ2 TRP 84 HZ2 TRP 84 -8.065 -10.273 2.438 600 HZ3 TRP 84 HZ3 TRP 84 -4.209 -12.023 1.717 601 HH2 TRP 84 HH2 TRP 84 -6.680 -12.129 1.544 602 H CYS 85 HN CYS 85 -1.251 -8.652 3.060 603 HA CYS 85 HA CYS 85 -2.202 -9.926 0.674 604 1HB CYS 85 HB2 CYS 85 -1.339 -8.036 -0.510 605 2HB CYS 85 HB1 CYS 85 0.147 -8.033 0.440 606 H TYR 86 HN TYR 86 -0.748 -11.727 -0.009 607 HA TYR 86 HA TYR 86 0.447 -13.103 2.225 608 1HB TYR 86 HB2 TYR 86 0.913 -13.629 -0.720 609 2HB TYR 86 HB1 TYR 86 0.828 -14.806 0.589 610 HD1 TYR 86 HD1 TYR 86 -1.505 -14.503 2.022 611 HD2 TYR 86 HD2 TYR 86 -0.931 -13.603 -2.140 612 HE1 TYR 86 HE1 TYR 86 -3.938 -14.770 1.631 613 HE2 TYR 86 HE2 TYR 86 -3.365 -13.871 -2.531 614 HH TYR 86 HH TYR 86 -5.347 -14.232 -1.599 615 H THR 87 HN THR 87 2.812 -13.817 2.187 616 HA THR 87 HA THR 87 4.542 -11.501 1.421 617 HB THR 87 HB THR 87 6.088 -13.137 2.930 618 HG1 THR 87 HG1 THR 87 4.796 -14.704 3.501 619 1HG2 THR 87 HG21 THR 87 4.100 -11.618 4.507 620 2HG2 THR 87 HG22 THR 87 4.928 -10.711 3.240 621 3HG2 THR 87 HG23 THR 87 5.860 -11.512 4.505 622 H MET 88 HN MET 88 6.150 -11.765 -0.115 623 HA MET 88 HA MET 88 6.152 -14.089 -1.829 624 1HB MET 88 HB2 MET 88 7.880 -12.868 -2.985 625 2HB MET 88 HB1 MET 88 6.729 -11.676 -2.382 626 1HG MET 88 HG2 MET 88 8.559 -10.664 -1.497 627 2HG MET 88 HG1 MET 88 8.448 -11.912 -0.255 628 1HE MET 88 HE1 MET 88 11.251 -10.447 -0.932 629 2HE MET 88 HE2 MET 88 12.203 -11.901 -0.642 630 3HE MET 88 HE3 MET 88 10.775 -11.581 0.340 631 H ASP 89 HN ASP 89 7.376 -13.759 1.276 632 HA ASP 89 HA ASP 89 9.693 -15.551 0.728 633 1HB ASP 89 HB2 ASP 89 9.406 -13.208 2.200 634 2HB ASP 89 HB1 ASP 89 9.343 -14.470 3.431 635 HA PRO 90 HA PRO 90 7.315 -18.815 2.478 636 1HB PRO 90 HB2 PRO 90 9.394 -20.506 3.063 637 2HB PRO 90 HB1 PRO 90 8.786 -20.252 1.415 638 1HG PRO 90 HG2 PRO 90 11.173 -19.074 2.753 639 2HG PRO 90 HG1 PRO 90 10.982 -19.650 1.090 640 1HD PRO 90 HD2 PRO 90 10.914 -17.012 1.763 641 2HD PRO 90 HD1 PRO 90 10.025 -17.684 0.378 642 H ASN 91 HN ASN 91 9.347 -16.751 4.160 643 HA ASN 91 HA ASN 91 9.213 -18.166 6.752 644 1HB ASN 91 HB2 ASN 91 10.820 -16.189 5.475 645 2HB ASN 91 HB1 ASN 91 10.089 -15.429 6.889 646 1HD2 ASN 91 HD21 ASN 91 11.956 -18.347 5.920 647 2HD2 ASN 91 HD22 ASN 91 12.690 -18.563 7.434 648 H VAL 92 HN VAL 92 7.220 -16.111 4.904 649 HA VAL 92 HA VAL 92 5.697 -15.344 7.370 650 HB VAL 92 HB VAL 92 6.301 -13.720 4.870 651 1HG1 VAL 92 HG11 VAL 92 4.077 -13.174 5.644 652 2HG1 VAL 92 HG12 VAL 92 5.151 -11.897 6.215 653 3HG1 VAL 92 HG13 VAL 92 4.605 -13.153 7.326 654 1HG2 VAL 92 HG21 VAL 92 8.224 -13.758 6.309 655 2HG2 VAL 92 HG22 VAL 92 7.230 -13.588 7.756 656 3HG2 VAL 92 HG23 VAL 92 7.401 -12.233 6.640 657 H ARG 93 HN ARG 93 3.455 -15.572 7.178 658 HA ARG 93 HA ARG 93 2.451 -17.060 4.876 659 1HB ARG 93 HB2 ARG 93 2.011 -17.183 7.529 660 2HB ARG 93 HB1 ARG 93 0.699 -16.093 7.081 661 1HG ARG 93 HG2 ARG 93 0.398 -17.937 5.142 662 2HG ARG 93 HG1 ARG 93 1.096 -18.962 6.397 663 1HD ARG 93 HD2 ARG 93 -0.756 -17.498 7.827 664 2HD ARG 93 HD1 ARG 93 -1.577 -17.738 6.272 665 HE ARG 93 HE ARG 93 -0.967 -19.830 8.179 666 1HH1 ARG 93 HH11 ARG 93 -1.199 -19.018 4.830 667 2HH1 ARG 93 HH12 ARG 93 -1.504 -20.646 4.325 668 1HH2 ARG 93 HH21 ARG 93 -1.342 -21.959 7.527 669 2HH2 ARG 93 HH22 ARG 93 -1.585 -22.308 5.848 670 H TRP 94 HN TRP 94 1.415 -14.136 6.640 671 HA TRP 94 HA TRP 94 0.928 -12.666 4.143 672 1HB TRP 94 HB2 TRP 94 -1.468 -12.549 4.412 673 2HB TRP 94 HB1 TRP 94 -1.031 -14.253 4.525 674 HD1 TRP 94 HD1 TRP 94 -1.526 -15.489 6.737 675 HE1 TRP 94 HE1 TRP 94 -2.595 -14.804 8.982 676 HE3 TRP 94 HE3 TRP 94 -1.707 -10.424 6.118 677 HZ2 TRP 94 HZ2 TRP 94 -3.415 -12.422 10.335 678 HZ3 TRP 94 HZ3 TRP 94 -2.635 -8.971 7.898 679 HH2 TRP 94 HH2 TRP 94 -3.489 -9.963 10.004 680 H GLU 95 HN GLU 95 0.129 -10.388 4.711 681 HA GLU 95 HA GLU 95 0.148 -9.555 7.503 682 1HB GLU 95 HB2 GLU 95 2.576 -10.194 6.739 683 2HB GLU 95 HB1 GLU 95 2.526 -8.643 5.901 684 1HG GLU 95 HG2 GLU 95 3.169 -7.730 7.867 685 2HG GLU 95 HG1 GLU 95 1.518 -8.032 8.410 686 H TYR 96 HN TYR 96 -0.075 -7.180 7.691 687 HA TYR 96 HA TYR 96 -1.590 -6.041 5.469 688 1HB TYR 96 HB2 TYR 96 -0.767 -5.278 8.255 689 2HB TYR 96 HB1 TYR 96 -1.391 -4.023 7.182 690 HD1 TYR 96 HD1 TYR 96 -3.694 -4.095 6.352 691 HD2 TYR 96 HD2 TYR 96 -2.184 -7.125 8.996 692 HE1 TYR 96 HE1 TYR 96 -6.008 -4.884 6.770 693 HE2 TYR 96 HE2 TYR 96 -4.498 -7.914 9.414 694 HH TYR 96 HH TYR 96 -6.847 -6.861 9.296 695 H CYS 97 HN CYS 97 -0.957 -3.695 4.763 696 HA CYS 97 HA CYS 97 1.958 -3.735 4.129 697 1HB CYS 97 HB2 CYS 97 -0.549 -2.786 2.802 698 2HB CYS 97 HB1 CYS 97 0.970 -1.998 2.378 699 H ASN 98 HN ASN 98 3.239 -1.896 4.486 700 HA ASN 98 HA ASN 98 2.747 -0.226 6.701 701 1HB ASN 98 HB2 ASN 98 4.481 -0.103 4.245 702 2HB ASN 98 HB1 ASN 98 4.480 1.249 5.378 703 1HD2 ASN 98 HD21 ASN 98 6.889 0.074 5.312 704 2HD2 ASN 98 HD22 ASN 98 7.137 -0.977 6.622 705 H LEU 99 HN LEU 99 0.502 0.541 6.393 706 HA LEU 99 HA LEU 99 0.390 2.857 4.491 707 1HB LEU 99 HB2 LEU 99 -1.725 0.780 5.132 708 2HB LEU 99 HB1 LEU 99 -1.975 2.183 4.093 709 HG LEU 99 HG LEU 99 0.395 0.536 3.438 710 1HD1 LEU 99 HD11 LEU 99 -1.171 -1.050 2.148 711 2HD1 LEU 99 HD12 LEU 99 -2.433 -0.497 3.248 712 3HD1 LEU 99 HD13 LEU 99 -1.009 -1.320 3.884 713 1HD2 LEU 99 HD21 LEU 99 -0.944 2.566 2.237 714 2HD2 LEU 99 HD22 LEU 99 -1.739 1.187 1.478 715 3HD2 LEU 99 HD23 LEU 99 0.009 1.380 1.344 716 H THR 100 HN THR 100 -0.413 4.720 5.360 717 HA THR 100 HA THR 100 -1.434 4.639 8.169 718 HB THR 100 HB THR 100 -0.448 6.819 8.373 719 HG1 THR 100 HG1 THR 100 0.688 7.542 6.324 720 1HG2 THR 100 HG21 THR 100 1.857 6.308 8.036 721 2HG2 THR 100 HG22 THR 100 1.491 5.240 6.680 722 3HG2 THR 100 HG23 THR 100 1.062 4.760 8.322 723 H GLN 101 HN GLN 101 -3.166 6.213 8.644 724 HA GLN 101 HA GLN 101 -5.231 6.287 6.625 725 1HB GLN 101 HB2 GLN 101 -5.052 6.521 9.347 726 2HB GLN 101 HB1 GLN 101 -5.342 8.198 8.882 727 1HG GLN 101 HG2 GLN 101 -7.294 7.428 7.515 728 2HG GLN 101 HG1 GLN 101 -7.043 5.799 8.144 729 1HE2 GLN 101 HE21 GLN 101 -7.013 9.067 9.692 730 2HE2 GLN 101 HE22 GLN 101 -8.104 8.651 10.924 731 H CYS 102 HN CYS 102 -4.112 7.395 4.813 732 HA CYS 102 HA CYS 102 -2.783 9.770 4.726 733 1HB CYS 102 HB2 CYS 102 -4.386 8.169 3.003 734 2HB CYS 102 HB1 CYS 102 -4.806 9.857 2.707 735 HA PRO 103 HA PRO 103 -6.780 12.377 4.929 736 1HB PRO 103 HB2 PRO 103 -9.100 11.130 5.671 737 2HB PRO 103 HB1 PRO 103 -8.571 11.269 3.982 738 1HG PRO 103 HG2 PRO 103 -8.393 8.952 5.835 739 2HG PRO 103 HG1 PRO 103 -8.730 8.988 4.098 740 1HD PRO 103 HD2 PRO 103 -6.300 8.324 5.169 741 2HD PRO 103 HD1 PRO 103 -6.515 8.995 3.538 742 H VAL 104 HN VAL 104 -6.194 13.448 6.786 743 HA VAL 104 HA VAL 104 -7.088 12.302 9.400 744 HB VAL 104 HB VAL 104 -4.349 13.370 8.642 745 1HG1 VAL 104 HG11 VAL 104 -3.743 13.025 10.999 746 2HG1 VAL 104 HG12 VAL 104 -5.398 12.537 11.365 747 3HG1 VAL 104 HG13 VAL 104 -5.056 14.195 10.872 748 1HG2 VAL 104 HG21 VAL 104 -5.387 10.814 8.472 749 2HG2 VAL 104 HG22 VAL 104 -4.613 10.806 10.056 750 3HG2 VAL 104 HG23 VAL 104 -3.674 11.203 8.617 751 H THR 105 HN THR 105 -5.042 15.127 8.803 752 HA THR 105 HA THR 105 -7.285 16.863 9.779 753 HB THR 105 HB THR 105 -5.157 16.460 11.159 754 HG1 THR 105 HG1 THR 105 -6.030 18.215 11.900 755 1HG2 THR 105 HG21 THR 105 -3.129 17.469 10.483 756 2HG2 THR 105 HG22 THR 105 -3.920 18.408 9.216 757 3HG2 THR 105 HG23 THR 105 -3.718 16.665 9.028 758 H GLU 106 HN GLU 106 -7.161 19.147 8.925 759 HA GLU 106 HA GLU 106 -5.603 20.013 6.762 760 1HB GLU 106 HB2 GLU 106 -7.302 17.855 6.085 761 2HB GLU 106 HB1 GLU 106 -8.025 19.289 5.358 762 1HG GLU 106 HG2 GLU 106 -5.303 19.605 4.867 763 2HG GLU 106 HG1 GLU 106 -5.577 17.879 4.621 764 H SER 107 HN SER 107 -5.958 22.133 7.415 765 HA SER 107 HA SER 107 -8.693 23.072 8.015 766 1HB SER 107 HB2 SER 107 -5.955 24.381 7.992 767 2HB SER 107 HB1 SER 107 -7.427 25.180 8.536 768 HG SER 107 HG SER 107 -6.731 22.666 9.579 769 H SER 108 HN SER 108 -6.149 23.657 5.572 770 HA SER 108 HA SER 108 -8.265 24.802 3.787 771 1HB SER 108 HB2 SER 108 -5.665 25.955 4.739 772 2HB SER 108 HB1 SER 108 -6.226 26.366 3.120 773 HG SER 108 HG SER 108 -7.880 27.431 3.954 774 H VAL 109 HN VAL 109 -8.072 24.119 1.651 775 HA VAL 109 HA VAL 109 -6.106 22.013 1.058 776 HB VAL 109 HB VAL 109 -8.549 22.002 0.426 777 1HG1 VAL 109 HG11 VAL 109 -9.455 23.704 -0.746 778 2HG1 VAL 109 HG12 VAL 109 -8.175 23.632 -1.956 779 3HG1 VAL 109 HG13 VAL 109 -7.947 24.580 -0.487 780 1HG2 VAL 109 HG21 VAL 109 -7.312 20.460 -0.821 781 2HG2 VAL 109 HG22 VAL 109 -6.332 21.712 -1.584 782 3HG2 VAL 109 HG23 VAL 109 -8.002 21.467 -2.094 783 H LEU 110 HN LEU 110 -4.358 22.229 -0.356 784 HA LEU 110 HA LEU 110 -3.205 24.811 -0.804 785 1HB LEU 110 HB2 LEU 110 -1.688 23.432 -2.309 786 2HB LEU 110 HB1 LEU 110 -1.863 22.814 -0.666 787 HG LEU 110 HG LEU 110 -3.979 21.648 -2.078 788 1HD1 LEU 110 HD11 LEU 110 -1.504 21.939 -3.758 789 2HD1 LEU 110 HD12 LEU 110 -3.195 22.055 -4.243 790 3HD1 LEU 110 HD13 LEU 110 -2.485 20.480 -3.890 791 1HD2 LEU 110 HD21 LEU 110 -3.086 20.063 -0.738 792 2HD2 LEU 110 HD22 LEU 110 -1.525 20.883 -0.704 793 3HD2 LEU 110 HD23 LEU 110 -1.908 19.769 -2.017 794 H ALA 111 HN ALA 111 -5.283 22.763 -2.812 795 HA ALA 111 HA ALA 111 -4.911 24.288 -5.256 796 1HB ALA 111 HB1 ALA 111 -5.609 22.006 -5.385 797 2HB ALA 111 HB2 ALA 111 -7.023 22.951 -5.852 798 3HB ALA 111 HB3 ALA 111 -6.916 22.267 -4.230 799 H THR 112 HN THR 112 -6.605 25.634 -6.249 800 HA THR 112 HA THR 112 -8.078 27.244 -4.214 801 HB THR 112 HB THR 112 -7.754 27.898 -7.135 802 HG1 THR 112 HG1 THR 112 -5.740 28.926 -6.361 803 1HG2 THR 112 HG21 THR 112 -7.421 29.775 -4.822 804 2HG2 THR 112 HG22 THR 112 -9.042 29.245 -5.269 805 3HG2 THR 112 HG23 THR 112 -8.038 30.098 -6.442 806 H SER 113 HN SER 113 -9.891 25.745 -3.977 807 HA SER 113 HA SER 113 -11.448 24.899 -6.294 808 1HB SER 113 HB2 SER 113 -12.787 23.831 -4.636 809 2HB SER 113 HB1 SER 113 -11.148 23.789 -3.991 810 HG SER 113 HG SER 113 -12.124 24.699 -2.342 811 H THR 114 HN THR 114 -12.877 26.203 -7.355 812 HA THR 114 HA THR 114 -14.378 28.265 -5.799 813 HB THR 114 HB THR 114 -13.858 29.547 -8.155 814 HG1 THR 114 HG1 THR 114 -12.034 28.897 -8.978 815 1HG2 THR 114 HG21 THR 114 -13.411 30.042 -5.564 816 2HG2 THR 114 HG22 THR 114 -12.668 31.010 -6.836 817 3HG2 THR 114 HG23 THR 114 -11.748 29.724 -6.056 818 H ALA 115 HN ALA 115 -16.456 27.495 -6.095 819 HA ALA 115 HA ALA 115 -17.234 26.409 -8.758 820 1HB ALA 115 HB1 ALA 115 -19.099 25.474 -7.521 821 2HB ALA 115 HB2 ALA 115 -18.747 26.502 -6.132 822 3HB ALA 115 HB3 ALA 115 -17.637 25.205 -6.572 823 H VAL 116 HN VAL 116 -16.997 29.403 -7.635 824 HA VAL 116 HA VAL 116 -19.502 30.659 -7.613 825 HB VAL 116 HB VAL 116 -17.167 31.610 -7.266 826 1HG1 VAL 116 HG11 VAL 116 -15.895 32.318 -9.156 827 2HG1 VAL 116 HG12 VAL 116 -17.228 31.999 -10.265 828 3HG1 VAL 116 HG13 VAL 116 -16.370 30.656 -9.508 829 1HG2 VAL 116 HG21 VAL 116 -18.097 33.674 -7.445 830 2HG2 VAL 116 HG22 VAL 116 -19.529 32.830 -8.034 831 3HG2 VAL 116 HG23 VAL 116 -18.364 33.492 -9.179 832 H SER 117 HN SER 117 -17.843 29.152 -10.287 833 HA SER 117 HA SER 117 -19.696 30.393 -12.266 834 1HB SER 117 HB2 SER 117 -17.098 28.882 -12.316 835 2HB SER 117 HB1 SER 117 -18.080 28.961 -13.776 836 HG SER 117 HG SER 117 -17.484 31.276 -12.276 837 H GLU 118 HN GLU 118 -21.243 29.144 -13.348 838 HA GLU 118 HA GLU 118 -21.330 26.213 -12.752 839 1HB GLU 118 HB2 GLU 118 -22.880 28.148 -11.520 840 2HB GLU 118 HB1 GLU 118 -23.928 27.586 -12.823 841 1HG GLU 118 HG2 GLU 118 -24.449 25.839 -11.494 842 2HG GLU 118 HG1 GLU 118 -22.814 25.244 -11.791 843 H GLN 119 HN GLN 119 -21.520 25.119 -14.661 844 HA GLN 119 HA GLN 119 -22.543 26.578 -17.059 845 1HB GLN 119 HB2 GLN 119 -21.072 23.933 -16.843 846 2HB GLN 119 HB1 GLN 119 -21.271 24.924 -18.289 847 1HG GLN 119 HG2 GLN 119 -20.102 26.777 -16.828 848 2HG GLN 119 HG1 GLN 119 -19.519 25.398 -15.897 849 1HE2 GLN 119 HE21 GLN 119 -17.884 24.069 -16.842 850 2HE2 GLN 119 HE22 GLN 119 -17.194 24.388 -18.360 Start of MODEL 3 1 1H ALA 1 HT1 ALA 1 23.894 -0.096 -0.088 2 2H ALA 1 HT2 ALA 1 24.580 1.302 -0.767 3 3H ALA 1 HT3 ALA 1 23.644 1.411 0.646 4 HA ALA 1 HA ALA 1 25.354 -0.063 1.754 5 1HB ALA 1 HB1 ALA 1 27.541 -0.022 0.482 6 2HB ALA 1 HB2 ALA 1 26.660 0.656 -0.888 7 3HB ALA 1 HB3 ALA 1 26.271 -0.962 -0.301 8 H ARG 2 HN ARG 2 26.009 2.806 -0.301 9 HA ARG 2 HA ARG 2 27.054 4.203 2.135 10 1HB ARG 2 HB2 ARG 2 28.063 3.801 -0.446 11 2HB ARG 2 HB1 ARG 2 27.508 5.475 -0.449 12 1HG ARG 2 HG2 ARG 2 28.784 5.867 1.657 13 2HG ARG 2 HG1 ARG 2 29.405 4.219 1.555 14 1HD ARG 2 HD2 ARG 2 29.815 5.465 -0.993 15 2HD ARG 2 HD1 ARG 2 30.445 6.546 0.267 16 HE ARG 2 HE ARG 2 31.115 3.661 0.477 17 1HH1 ARG 2 HH21 ARG 2 32.695 4.737 -1.753 18 2HH1 ARG 2 HH22 ARG 2 34.090 5.397 -0.968 19 1HH2 ARG 2 HH11 ARG 2 32.622 5.453 2.175 20 2HH2 ARG 2 HH12 ARG 2 34.049 5.802 1.258 21 H ILE 3 HN ILE 3 25.050 5.023 2.941 22 HA ILE 3 HA ILE 3 23.120 6.406 2.974 23 HB ILE 3 HB ILE 3 25.190 7.900 1.340 24 1HG1 ILE 3 HG12 ILE 3 24.371 8.507 4.164 25 2HG1 ILE 3 HG11 ILE 3 25.450 7.145 3.860 26 1HG2 ILE 3 HG21 ILE 3 23.919 9.895 1.613 27 2HG2 ILE 3 HG22 ILE 3 22.815 9.127 2.753 28 3HG2 ILE 3 HG23 ILE 3 22.764 8.690 1.045 29 1HD1 ILE 3 HD11 ILE 3 26.108 9.922 3.949 30 2HD1 ILE 3 HD12 ILE 3 26.359 9.358 2.297 31 3HD1 ILE 3 HD13 ILE 3 27.182 8.559 3.636 32 H HIS 4 HN HIS 4 21.615 5.144 1.732 33 HA HIS 4 HA HIS 4 20.151 4.763 -0.085 34 1HB HIS 4 HB2 HIS 4 21.107 7.528 -0.167 35 2HB HIS 4 HB1 HIS 4 20.627 6.938 -1.758 36 HD1 HIS 4 HD1 HIS 4 19.111 8.879 0.553 37 HD2 HIS 4 HD2 HIS 4 18.015 5.133 -0.911 38 HE1 HIS 4 HE1 HIS 4 16.627 8.643 0.980 39 H HIS 5 HN HIS 5 20.186 4.270 -2.462 40 HA HIS 5 HA HIS 5 22.758 4.269 -3.864 41 1HB HIS 5 HB2 HIS 5 22.916 1.782 -3.879 42 2HB HIS 5 HB1 HIS 5 23.047 2.440 -2.248 43 HD1 HIS 5 HD1 HIS 5 20.974 0.228 -4.361 44 HD2 HIS 5 HD2 HIS 5 20.600 2.138 -0.674 45 HE1 HIS 5 HE1 HIS 5 19.007 -0.855 -3.190 46 H HIS 6 HN HIS 6 20.308 5.345 -4.650 47 HA HIS 6 HA HIS 6 18.764 5.310 -6.441 48 1HB HIS 6 HB2 HIS 6 21.174 3.748 -7.196 49 2HB HIS 6 HB1 HIS 6 19.761 3.514 -8.226 50 HD1 HIS 6 HD1 HIS 6 19.013 5.476 -9.696 51 HD2 HIS 6 HD2 HIS 6 22.190 6.449 -7.177 52 HE1 HIS 6 HE1 HIS 6 19.860 7.741 -10.451 53 H HIS 7 HN HIS 7 17.072 4.295 -5.121 54 HA HIS 7 HA HIS 7 16.842 1.340 -5.245 55 1HB HIS 7 HB2 HIS 7 16.183 3.374 -3.429 56 2HB HIS 7 HB1 HIS 7 14.632 2.819 -4.058 57 HD1 HIS 7 HD1 HIS 7 16.935 2.064 -1.456 58 HD2 HIS 7 HD2 HIS 7 14.656 -0.273 -4.049 59 HE1 HIS 7 HE1 HIS 7 16.787 -0.235 -0.405 60 H HIS 8 HN HIS 8 13.896 1.491 -5.171 61 HA HIS 8 HA HIS 8 13.411 2.004 -8.084 62 1HB HIS 8 HB2 HIS 8 12.554 -0.046 -6.081 63 2HB HIS 8 HB1 HIS 8 11.434 0.346 -7.385 64 HD1 HIS 8 HD1 HIS 8 12.505 0.171 -9.886 65 HD2 HIS 8 HD2 HIS 8 14.597 -1.766 -6.844 66 HE1 HIS 8 HE1 HIS 8 14.075 -1.460 -11.021 67 H HIS 9 HN HIS 9 13.210 4.201 -6.323 68 HA HIS 9 HA HIS 9 11.682 5.954 -5.876 69 1HB HIS 9 HB2 HIS 9 10.612 4.328 -7.960 70 2HB HIS 9 HB1 HIS 9 9.280 4.737 -6.879 71 HD1 HIS 9 HD1 HIS 9 9.454 7.479 -6.121 72 HD2 HIS 9 HD2 HIS 9 10.979 6.321 -9.824 73 HE1 HIS 9 HE1 HIS 9 9.593 9.580 -7.527 74 H ILE 10 HN ILE 10 11.762 3.072 -4.415 75 HA ILE 10 HA ILE 10 9.219 3.142 -2.941 76 HB ILE 10 HB ILE 10 10.265 1.193 -1.798 77 1HG1 ILE 10 HG12 ILE 10 12.576 0.737 -3.289 78 2HG1 ILE 10 HG11 ILE 10 12.661 2.455 -2.900 79 1HG2 ILE 10 HG21 ILE 10 10.554 1.282 -4.816 80 2HG2 ILE 10 HG22 ILE 10 9.127 0.783 -3.907 81 3HG2 ILE 10 HG23 ILE 10 10.591 -0.200 -3.860 82 1HD1 ILE 10 HD11 ILE 10 13.552 1.696 -0.941 83 2HD1 ILE 10 HD12 ILE 10 12.810 0.105 -1.104 84 3HD1 ILE 10 HD13 ILE 10 11.859 1.464 -0.504 85 H GLU 11 HN GLU 11 8.924 4.397 -1.145 86 HA GLU 11 HA GLU 11 11.294 5.058 0.557 87 1HB GLU 11 HB2 GLU 11 10.481 7.394 0.625 88 2HB GLU 11 HB1 GLU 11 10.821 6.898 -1.033 89 1HG GLU 11 HG2 GLU 11 8.271 6.166 -0.982 90 2HG GLU 11 HG1 GLU 11 8.183 7.376 0.298 91 H GLY 12 HN GLY 12 8.935 3.184 0.809 92 1HA GLY 12 HA2 GLY 12 6.884 4.074 2.465 93 2HA GLY 12 HA1 GLY 12 7.610 2.475 2.622 94 H ARG 13 HN ARG 13 10.274 3.637 3.276 95 HA ARG 13 HA ARG 13 9.777 4.033 6.165 96 1HB ARG 13 HB2 ARG 13 11.707 2.798 4.535 97 2HB ARG 13 HB1 ARG 13 12.536 4.174 5.263 98 1HG ARG 13 HG2 ARG 13 11.428 3.365 7.482 99 2HG ARG 13 HG1 ARG 13 11.214 1.838 6.623 100 1HD ARG 13 HD2 ARG 13 13.779 2.185 6.022 101 2HD ARG 13 HD1 ARG 13 13.753 3.175 7.495 102 HE ARG 13 HE ARG 13 13.015 0.284 7.371 103 1HH1 ARG 13 HH11 ARG 13 11.518 1.706 9.506 104 2HH1 ARG 13 HH12 ARG 13 12.587 1.583 10.863 105 1HH2 ARG 13 HH21 ARG 13 15.355 0.759 8.946 106 2HH2 ARG 13 HH22 ARG 13 14.759 1.050 10.546 107 H ALA 14 HN ALA 14 10.790 5.842 7.319 108 HA ALA 14 HA ALA 14 11.356 8.235 5.603 109 1HB ALA 14 HB1 ALA 14 9.552 7.906 8.014 110 2HB ALA 14 HB2 ALA 14 9.093 8.424 6.392 111 3HB ALA 14 HB3 ALA 14 10.060 9.485 7.417 112 HA PRO 15 HA PRO 15 14.796 8.849 8.261 113 1HB PRO 15 HB2 PRO 15 14.959 11.577 8.350 114 2HB PRO 15 HB1 PRO 15 15.384 10.631 6.910 115 1HG PRO 15 HG2 PRO 15 12.916 12.176 7.498 116 2HG PRO 15 HG1 PRO 15 13.780 11.964 5.968 117 1HD PRO 15 HD2 PRO 15 11.486 10.617 6.641 118 2HD PRO 15 HD1 PRO 15 12.687 10.024 5.474 119 H THR 16 HN THR 16 13.403 11.866 9.338 120 HA THR 16 HA THR 16 12.569 10.609 11.920 121 HB THR 16 HB THR 16 13.753 12.805 12.833 122 HG1 THR 16 HG1 THR 16 14.486 13.770 11.075 123 1HG2 THR 16 HG21 THR 16 15.773 10.823 11.975 124 2HG2 THR 16 HG22 THR 16 14.376 10.155 12.818 125 3HG2 THR 16 HG23 THR 16 15.369 11.389 13.595 126 H GLU 17 HN GLU 17 12.532 13.503 9.842 127 HA GLU 17 HA GLU 17 10.591 15.006 11.242 128 1HB GLU 17 HB2 GLU 17 11.923 15.991 9.518 129 2HB GLU 17 HB1 GLU 17 11.412 14.781 8.342 130 1HG GLU 17 HG2 GLU 17 9.039 15.659 8.661 131 2HG GLU 17 HG1 GLU 17 9.755 17.009 9.543 132 H GLN 18 HN GLN 18 8.356 14.850 11.323 133 HA GLN 18 HA GLN 18 6.941 12.516 10.724 134 1HB GLN 18 HB2 GLN 18 6.118 15.423 10.946 135 2HB GLN 18 HB1 GLN 18 4.948 14.105 10.861 136 1HG GLN 18 HG2 GLN 18 5.158 14.150 13.139 137 2HG GLN 18 HG1 GLN 18 6.575 13.152 12.807 138 1HE2 GLN 18 HE21 GLN 18 5.665 16.636 13.092 139 2HE2 GLN 18 HE22 GLN 18 7.146 17.116 13.768 140 H SER 19 HN SER 19 7.593 11.871 8.556 141 HA SER 19 HA SER 19 7.160 13.546 6.240 142 1HB SER 19 HB2 SER 19 8.682 11.889 5.815 143 2HB SER 19 HB1 SER 19 7.920 10.767 6.937 144 HG SER 19 HG SER 19 6.482 10.198 5.405 145 HA PRO 20 HA PRO 20 2.894 12.860 5.491 146 1HB PRO 20 HB2 PRO 20 2.838 12.799 2.755 147 2HB PRO 20 HB1 PRO 20 3.100 14.288 3.684 148 1HG PRO 20 HG2 PRO 20 5.071 12.564 2.276 149 2HG PRO 20 HG1 PRO 20 5.021 14.326 2.436 150 1HD PRO 20 HD2 PRO 20 6.662 12.703 3.908 151 2HD PRO 20 HD1 PRO 20 6.103 14.302 4.446 152 H GLY 21 HN GLY 21 1.399 11.338 4.087 153 1HA GLY 21 HA2 GLY 21 1.223 9.165 2.938 154 2HA GLY 21 HA1 GLY 21 2.694 8.665 3.773 155 H VAL 22 HN VAL 22 -0.210 10.272 5.089 156 HA VAL 22 HA VAL 22 -0.548 7.901 6.898 157 HB VAL 22 HB VAL 22 -1.488 9.743 8.448 158 1HG1 VAL 22 HG11 VAL 22 1.371 10.363 7.977 159 2HG1 VAL 22 HG12 VAL 22 0.990 8.655 8.193 160 3HG1 VAL 22 HG13 VAL 22 0.564 9.819 9.448 161 1HG2 VAL 22 HG21 VAL 22 -1.030 11.993 7.952 162 2HG2 VAL 22 HG22 VAL 22 -1.529 11.354 6.387 163 3HG2 VAL 22 HG23 VAL 22 0.184 11.578 6.742 164 H GLN 23 HN GLN 23 -2.624 7.053 7.015 165 HA GLN 23 HA GLN 23 -5.068 8.361 6.651 166 1HB GLN 23 HB2 GLN 23 -3.519 7.968 4.212 167 2HB GLN 23 HB1 GLN 23 -5.107 7.209 4.100 168 1HG GLN 23 HG2 GLN 23 -4.957 9.966 5.245 169 2HG GLN 23 HG1 GLN 23 -4.762 9.785 3.502 170 1HE2 GLN 23 HE21 GLN 23 -7.055 9.504 6.161 171 2HE2 GLN 23 HE22 GLN 23 -8.420 9.202 5.198 172 H ASP 24 HN ASP 24 -4.407 6.288 8.266 173 HA ASP 24 HA ASP 24 -4.966 3.668 7.148 174 1HB ASP 24 HB2 ASP 24 -4.979 3.036 9.535 175 2HB ASP 24 HB1 ASP 24 -3.628 4.118 9.192 176 H CYS 25 HN CYS 25 -7.009 4.508 5.996 177 HA CYS 25 HA CYS 25 -9.347 3.723 7.565 178 1HB CYS 25 HB2 CYS 25 -10.355 5.795 7.783 179 2HB CYS 25 HB1 CYS 25 -8.665 6.250 7.944 180 H TYR 26 HN TYR 26 -11.374 3.898 6.102 181 HA TYR 26 HA TYR 26 -10.792 3.981 3.203 182 1HB TYR 26 HB2 TYR 26 -11.540 1.660 2.888 183 2HB TYR 26 HB1 TYR 26 -10.153 1.710 3.974 184 HD1 TYR 26 HD1 TYR 26 -13.890 1.594 3.933 185 HD2 TYR 26 HD2 TYR 26 -10.297 0.826 6.151 186 HE1 TYR 26 HE1 TYR 26 -15.216 0.444 5.681 187 HE2 TYR 26 HE2 TYR 26 -11.621 -0.338 7.892 188 HH TYR 26 HH TYR 26 -13.756 -0.612 8.699 189 H HIS 27 HN HIS 27 -13.091 2.926 2.199 190 HA HIS 27 HA HIS 27 -15.270 4.403 3.649 191 1HB HIS 27 HB2 HIS 27 -14.611 5.709 1.766 192 2HB HIS 27 HB1 HIS 27 -14.473 4.285 0.734 193 HD1 HIS 27 HD1 HIS 27 -17.336 5.471 2.967 194 HD2 HIS 27 HD2 HIS 27 -16.607 4.442 -1.006 195 HE1 HIS 27 HE1 HIS 27 -19.566 5.597 1.774 196 H GLY 28 HN GLY 28 -15.838 2.216 4.547 197 1HA GLY 28 HA2 GLY 28 -17.789 0.744 4.292 198 2HA GLY 28 HA1 GLY 28 -17.458 0.685 2.562 199 H ASP 29 HN ASP 29 -15.419 -0.431 1.909 200 HA ASP 29 HA ASP 29 -14.458 -2.427 3.896 201 1HB ASP 29 HB2 ASP 29 -16.204 -2.821 1.630 202 2HB ASP 29 HB1 ASP 29 -14.715 -3.744 1.427 203 H GLY 30 HN GLY 30 -13.348 0.021 2.458 204 1HA GLY 30 HA2 GLY 30 -11.337 0.604 1.386 205 2HA GLY 30 HA1 GLY 30 -10.702 -0.907 2.045 206 H GLN 31 HN GLN 31 -13.495 -1.411 0.174 207 HA GLN 31 HA GLN 31 -12.115 -2.981 -1.792 208 1HB GLN 31 HB2 GLN 31 -14.818 -2.125 -1.085 209 2HB GLN 31 HB1 GLN 31 -14.608 -2.274 -2.830 210 1HG GLN 31 HG2 GLN 31 -13.312 -4.499 -1.581 211 2HG GLN 31 HG1 GLN 31 -14.943 -4.368 -0.922 212 1HE2 GLN 31 HE21 GLN 31 -13.491 -6.105 -3.178 213 2HE2 GLN 31 HE22 GLN 31 -14.646 -6.097 -4.422 214 H SER 32 HN SER 32 -13.476 0.320 -1.927 215 HA SER 32 HA SER 32 -12.506 0.680 -4.695 216 1HB SER 32 HB2 SER 32 -13.767 2.661 -2.779 217 2HB SER 32 HB1 SER 32 -13.720 2.764 -4.536 218 HG SER 32 HG SER 32 -15.670 1.907 -4.130 219 H TYR 33 HN TYR 33 -10.685 0.347 -2.218 220 HA TYR 33 HA TYR 33 -9.390 2.862 -1.698 221 1HB TYR 33 HB2 TYR 33 -9.346 0.544 -0.497 222 2HB TYR 33 HB1 TYR 33 -8.050 0.162 -1.631 223 HD1 TYR 33 HD1 TYR 33 -9.059 2.228 1.227 224 HD2 TYR 33 HD2 TYR 33 -5.909 1.384 -1.569 225 HE1 TYR 33 HE1 TYR 33 -7.467 3.494 2.643 226 HE2 TYR 33 HE2 TYR 33 -4.316 2.652 -0.151 227 HH TYR 33 HH TYR 33 -5.319 4.004 2.981 228 H ARG 34 HN ARG 34 -8.351 4.044 -3.259 229 HA ARG 34 HA ARG 34 -6.819 2.557 -5.371 230 1HB ARG 34 HB2 ARG 34 -8.543 5.022 -5.358 231 2HB ARG 34 HB1 ARG 34 -7.279 4.854 -6.577 232 1HG ARG 34 HG2 ARG 34 -8.237 2.850 -7.441 233 2HG ARG 34 HG1 ARG 34 -9.306 2.674 -6.048 234 1HD ARG 34 HD2 ARG 34 -10.879 3.741 -7.297 235 2HD ARG 34 HD1 ARG 34 -9.915 5.214 -7.067 236 HE ARG 34 HE ARG 34 -8.845 3.528 -9.179 237 1HH1 ARG 34 HH21 ARG 34 -11.696 5.299 -8.597 238 2HH1 ARG 34 HH22 ARG 34 -11.637 6.178 -10.088 239 1HH2 ARG 34 HH11 ARG 34 -8.540 4.918 -11.012 240 2HH2 ARG 34 HH12 ARG 34 -9.849 5.963 -11.456 241 H GLY 35 HN GLY 35 -4.951 2.639 -3.838 242 1HA GLY 35 HA2 GLY 35 -3.308 4.983 -4.316 243 2HA GLY 35 HA1 GLY 35 -3.831 4.878 -2.634 244 H SER 36 HN SER 36 -1.495 4.589 -2.163 245 HA SER 36 HA SER 36 -0.616 1.761 -2.654 246 1HB SER 36 HB2 SER 36 0.909 4.373 -2.502 247 2HB SER 36 HB1 SER 36 1.699 2.798 -2.499 248 HG SER 36 HG SER 36 1.577 3.504 -4.608 249 H PHE 37 HN PHE 37 -2.190 2.203 -0.437 250 HA PHE 37 HA PHE 37 -0.505 2.837 1.896 251 1HB PHE 37 HB2 PHE 37 -2.955 3.415 1.569 252 2HB PHE 37 HB1 PHE 37 -3.305 1.696 1.757 253 HD1 PHE 37 HD1 PHE 37 -4.063 1.137 3.878 254 HD2 PHE 37 HD2 PHE 37 -1.059 4.178 3.469 255 HE1 PHE 37 HE1 PHE 37 -3.976 1.381 6.344 256 HE2 PHE 37 HE2 PHE 37 -0.970 4.424 5.935 257 HZ PHE 37 HZ PHE 37 -2.429 3.025 7.373 258 H SER 38 HN SER 38 0.914 0.895 0.949 259 HA SER 38 HA SER 38 0.047 -1.806 1.426 260 1HB SER 38 HB2 SER 38 2.373 -2.285 1.011 261 2HB SER 38 HB1 SER 38 1.910 -0.947 -0.037 262 HG SER 38 HG SER 38 3.189 0.337 1.051 263 H THR 39 HN THR 39 -0.616 -0.330 3.818 264 HA THR 39 HA THR 39 1.473 -1.177 5.770 265 HB THR 39 HB THR 39 -0.946 0.647 5.837 266 HG1 THR 39 HG1 THR 39 1.267 1.231 5.057 267 1HG2 THR 39 HG21 THR 39 0.502 -0.690 8.057 268 2HG2 THR 39 HG22 THR 39 -1.150 -0.076 7.997 269 3HG2 THR 39 HG23 THR 39 0.194 1.036 8.256 270 H THR 40 HN THR 40 1.147 -3.131 6.768 271 HA THR 40 HA THR 40 -1.361 -4.576 6.424 272 HB THR 40 HB THR 40 -0.128 -6.335 7.626 273 HG1 THR 40 HG1 THR 40 1.355 -5.777 8.976 274 1HG2 THR 40 HG21 THR 40 0.441 -6.208 5.317 275 2HG2 THR 40 HG22 THR 40 1.984 -6.299 6.168 276 3HG2 THR 40 HG23 THR 40 1.404 -4.750 5.557 277 H VAL 41 HN VAL 41 -2.663 -5.378 8.232 278 HA VAL 41 HA VAL 41 -3.554 -3.451 10.070 279 HB VAL 41 HB VAL 41 -3.647 -6.449 9.860 280 1HG1 VAL 41 HG11 VAL 41 -3.695 -6.245 12.224 281 2HG1 VAL 41 HG12 VAL 41 -5.393 -6.294 11.751 282 3HG1 VAL 41 HG13 VAL 41 -4.635 -4.755 12.158 283 1HG2 VAL 41 HG21 VAL 41 -5.015 -4.886 8.415 284 2HG2 VAL 41 HG22 VAL 41 -5.837 -4.354 9.882 285 3HG2 VAL 41 HG23 VAL 41 -5.971 -6.032 9.356 286 H THR 42 HN THR 42 -0.836 -5.671 10.334 287 HA THR 42 HA THR 42 -0.498 -5.226 13.223 288 HB THR 42 HB THR 42 1.248 -6.542 11.115 289 HG1 THR 42 HG1 THR 42 -0.595 -7.634 12.974 290 1HG2 THR 42 HG21 THR 42 1.580 -6.024 13.973 291 2HG2 THR 42 HG22 THR 42 2.765 -6.570 12.786 292 3HG2 THR 42 HG23 THR 42 1.705 -7.738 13.575 293 H GLY 43 HN GLY 43 0.149 -3.388 10.503 294 1HA GLY 43 HA2 GLY 43 1.233 -1.236 10.603 295 2HA GLY 43 HA1 GLY 43 2.162 -1.797 11.993 296 H ARG 44 HN ARG 44 2.240 -4.293 9.852 297 HA ARG 44 HA ARG 44 5.015 -3.860 9.147 298 1HB ARG 44 HB2 ARG 44 3.184 -5.954 9.307 299 2HB ARG 44 HB1 ARG 44 3.548 -5.838 7.584 300 1HG ARG 44 HG2 ARG 44 5.646 -6.630 7.873 301 2HG ARG 44 HG1 ARG 44 5.937 -5.566 9.250 302 1HD ARG 44 HD2 ARG 44 5.930 -8.115 9.719 303 2HD ARG 44 HD1 ARG 44 4.921 -7.109 10.779 304 HE ARG 44 HE ARG 44 3.762 -8.387 8.337 305 1HH1 ARG 44 HH11 ARG 44 4.142 -9.046 11.577 306 2HH1 ARG 44 HH12 ARG 44 2.453 -9.159 11.946 307 1HH2 ARG 44 HH21 ARG 44 1.424 -7.953 8.864 308 2HH2 ARG 44 HH22 ARG 44 0.917 -8.540 10.413 309 H THR 45 HN THR 45 4.997 -4.836 6.499 310 HA THR 45 HA THR 45 3.664 -2.649 4.942 311 HB THR 45 HB THR 45 6.570 -3.518 4.960 312 HG1 THR 45 HG1 THR 45 6.459 -1.930 6.351 313 1HG2 THR 45 HG21 THR 45 6.704 -2.940 2.794 314 2HG2 THR 45 HG22 THR 45 6.160 -1.317 3.219 315 3HG2 THR 45 HG23 THR 45 4.984 -2.552 2.767 316 H CYS 46 HN CYS 46 2.516 -3.596 3.294 317 HA CYS 46 HA CYS 46 2.652 -6.368 2.706 318 1HB CYS 46 HB2 CYS 46 1.321 -3.930 1.688 319 2HB CYS 46 HB1 CYS 46 1.410 -5.279 0.553 320 H GLN 47 HN GLN 47 3.742 -7.493 1.090 321 HA GLN 47 HA GLN 47 6.014 -6.105 -0.187 322 1HB GLN 47 HB2 GLN 47 6.234 -8.255 1.011 323 2HB GLN 47 HB1 GLN 47 5.126 -9.004 -0.132 324 1HG GLN 47 HG2 GLN 47 7.549 -9.405 -0.669 325 2HG GLN 47 HG1 GLN 47 6.657 -8.608 -1.966 326 1HE2 GLN 47 HE21 GLN 47 9.341 -8.282 0.209 327 2HE2 GLN 47 HE22 GLN 47 9.765 -6.695 -0.219 328 H SER 48 HN SER 48 6.392 -6.241 -2.503 329 HA SER 48 HA SER 48 4.304 -5.690 -4.277 330 1HB SER 48 HB2 SER 48 7.012 -6.984 -4.574 331 2HB SER 48 HB1 SER 48 6.003 -6.643 -5.977 332 HG SER 48 HG SER 48 7.609 -4.992 -4.804 333 H TRP 49 HN TRP 49 2.865 -6.995 -5.488 334 HA TRP 49 HA TRP 49 2.276 -9.648 -4.530 335 1HB TRP 49 HB2 TRP 49 1.561 -8.202 -7.106 336 2HB TRP 49 HB1 TRP 49 0.764 -9.657 -6.515 337 HD1 TRP 49 HD1 TRP 49 0.980 -5.917 -5.941 338 HE1 TRP 49 HE1 TRP 49 -0.870 -5.218 -4.311 339 HE3 TRP 49 HE3 TRP 49 -0.668 -10.467 -4.462 340 HZ2 TRP 49 HZ2 TRP 49 -2.789 -6.410 -2.593 341 HZ3 TRP 49 HZ3 TRP 49 -2.515 -10.690 -2.821 342 HH2 TRP 49 HH2 TRP 49 -3.582 -8.656 -1.881 343 H SER 50 HN SER 50 3.915 -8.381 -7.403 344 HA SER 50 HA SER 50 4.618 -11.006 -8.471 345 1HB SER 50 HB2 SER 50 4.148 -8.904 -9.754 346 2HB SER 50 HB1 SER 50 5.630 -8.218 -9.094 347 HG SER 50 HG SER 50 6.034 -9.156 -11.112 348 H SER 51 HN SER 51 5.662 -10.032 -5.678 349 HA SER 51 HA SER 51 8.527 -9.707 -5.981 350 1HB SER 51 HB2 SER 51 8.478 -9.765 -3.576 351 2HB SER 51 HB1 SER 51 6.994 -8.960 -4.081 352 HG SER 51 HG SER 51 7.297 -11.207 -2.662 353 H MET 52 HN MET 52 9.974 -11.336 -6.377 354 HA MET 52 HA MET 52 9.042 -14.144 -5.977 355 1HB MET 52 HB2 MET 52 11.386 -13.152 -7.618 356 2HB MET 52 HB1 MET 52 10.558 -14.700 -7.752 357 1HG MET 52 HG2 MET 52 8.839 -12.311 -8.110 358 2HG MET 52 HG1 MET 52 10.028 -12.594 -9.377 359 1HE MET 52 HE1 MET 52 6.725 -15.335 -7.904 360 2HE MET 52 HE2 MET 52 7.287 -13.807 -7.234 361 3HE MET 52 HE3 MET 52 8.271 -15.246 -7.066 362 H THR 53 HN THR 53 10.478 -12.075 -4.082 363 HA THR 53 HA THR 53 12.920 -13.638 -3.439 364 HB THR 53 HB THR 53 12.603 -11.567 -1.597 365 HG1 THR 53 HG1 THR 53 12.041 -10.397 -4.051 366 1HG2 THR 53 HG21 THR 53 14.253 -12.263 -3.866 367 2HG2 THR 53 HG22 THR 53 14.684 -11.355 -2.416 368 3HG2 THR 53 HG23 THR 53 13.994 -10.519 -3.808 369 HA PRO 54 HA PRO 54 10.614 -14.138 0.672 370 1HB PRO 54 HB2 PRO 54 8.228 -12.864 1.066 371 2HB PRO 54 HB1 PRO 54 9.792 -12.099 1.410 372 1HG PRO 54 HG2 PRO 54 7.988 -11.750 -0.926 373 2HG PRO 54 HG1 PRO 54 8.979 -10.555 -0.076 374 1HD PRO 54 HD2 PRO 54 9.665 -11.693 -2.470 375 2HD PRO 54 HD1 PRO 54 10.834 -11.033 -1.307 376 H HIS 55 HN HIS 55 7.385 -13.483 -0.479 377 HA HIS 55 HA HIS 55 6.860 -16.392 -0.704 378 1HB HIS 55 HB2 HIS 55 4.860 -14.174 -1.131 379 2HB HIS 55 HB1 HIS 55 4.607 -15.763 -0.410 380 HD1 HIS 55 HD1 HIS 55 6.125 -12.388 0.347 381 HD2 HIS 55 HD2 HIS 55 5.100 -15.887 2.365 382 HE1 HIS 55 HE1 HIS 55 6.461 -11.916 2.799 383 H TRP 56 HN TRP 56 7.043 -17.354 -2.695 384 HA TRP 56 HA TRP 56 6.970 -15.672 -5.144 385 1HB TRP 56 HB2 TRP 56 8.735 -17.447 -4.481 386 2HB TRP 56 HB1 TRP 56 7.512 -18.636 -4.927 387 HD1 TRP 56 HD1 TRP 56 6.317 -17.750 -7.492 388 HE1 TRP 56 HE1 TRP 56 7.638 -17.333 -9.636 389 HE3 TRP 56 HE3 TRP 56 10.898 -16.944 -5.494 390 HZ2 TRP 56 HZ2 TRP 56 10.309 -16.716 -10.416 391 HZ3 TRP 56 HZ3 TRP 56 12.805 -16.406 -6.952 392 HH2 TRP 56 HH2 TRP 56 12.542 -16.298 -9.410 393 H HIS 57 HN HIS 57 5.402 -15.940 -6.751 394 HA HIS 57 HA HIS 57 3.558 -18.182 -6.786 395 1HB HIS 57 HB2 HIS 57 1.669 -17.174 -5.832 396 2HB HIS 57 HB1 HIS 57 2.961 -16.542 -4.816 397 HD1 HIS 57 HD1 HIS 57 3.917 -14.519 -7.206 398 HD2 HIS 57 HD2 HIS 57 0.138 -14.777 -5.466 399 HE1 HIS 57 HE1 HIS 57 2.784 -12.292 -7.621 400 H GLN 58 HN GLN 58 1.824 -17.796 -8.501 401 HA GLN 58 HA GLN 58 2.680 -15.738 -10.504 402 1HB GLN 58 HB2 GLN 58 2.452 -17.498 -12.224 403 2HB GLN 58 HB1 GLN 58 3.631 -17.976 -11.001 404 1HG GLN 58 HG2 GLN 58 2.349 -19.700 -10.266 405 2HG GLN 58 HG1 GLN 58 0.862 -18.756 -10.366 406 1HE2 GLN 58 HE21 GLN 58 3.217 -19.506 -12.978 407 2HE2 GLN 58 HE22 GLN 58 2.093 -20.304 -13.968 408 H ARG 59 HN ARG 59 0.371 -15.998 -8.545 409 HA ARG 59 HA ARG 59 -1.837 -15.749 -10.560 410 1HB ARG 59 HB2 ARG 59 -3.237 -16.797 -8.658 411 2HB ARG 59 HB1 ARG 59 -2.134 -17.872 -9.518 412 1HG ARG 59 HG2 ARG 59 -0.482 -17.695 -7.763 413 2HG ARG 59 HG1 ARG 59 -1.416 -16.441 -6.946 414 1HD ARG 59 HD2 ARG 59 -3.194 -18.614 -7.274 415 2HD ARG 59 HD1 ARG 59 -1.665 -19.309 -6.698 416 HE ARG 59 HE ARG 59 -1.736 -17.718 -4.808 417 1HH1 ARG 59 HH11 ARG 59 -4.471 -19.283 -5.267 418 2HH1 ARG 59 HH12 ARG 59 -5.571 -18.044 -4.763 419 1HH2 ARG 59 HH21 ARG 59 -3.178 -15.534 -4.812 420 2HH2 ARG 59 HH22 ARG 59 -4.838 -15.919 -4.505 421 H THR 60 HN THR 60 -0.560 -13.466 -9.793 422 HA THR 60 HA THR 60 -1.734 -12.309 -7.357 423 HB THR 60 HB THR 60 0.499 -11.681 -8.101 424 HG1 THR 60 HG1 THR 60 0.118 -9.394 -8.362 425 1HG2 THR 60 HG21 THR 60 -0.947 -11.162 -10.671 426 2HG2 THR 60 HG22 THR 60 0.569 -12.023 -10.408 427 3HG2 THR 60 HG23 THR 60 0.525 -10.263 -10.305 428 H THR 61 HN THR 61 -2.760 -10.106 -7.616 429 HA THR 61 HA THR 61 -5.063 -10.305 -9.426 430 HB THR 61 HB THR 61 -5.199 -7.869 -8.196 431 HG1 THR 61 HG1 THR 61 -4.138 -9.329 -6.124 432 1HG2 THR 61 HG21 THR 61 -6.234 -9.371 -6.253 433 2HG2 THR 61 HG22 THR 61 -5.997 -10.646 -7.449 434 3HG2 THR 61 HG23 THR 61 -7.008 -9.252 -7.834 435 H GLU 62 HN GLU 62 -1.874 -9.060 -9.523 436 HA GLU 62 HA GLU 62 -2.209 -6.702 -11.071 437 1HB GLU 62 HB2 GLU 62 -0.131 -7.661 -9.911 438 2HB GLU 62 HB1 GLU 62 0.017 -8.746 -11.294 439 1HG GLU 62 HG2 GLU 62 -0.411 -6.037 -12.204 440 2HG GLU 62 HG1 GLU 62 0.967 -6.095 -11.105 441 H TYR 63 HN TYR 63 -2.457 -10.082 -11.740 442 HA TYR 63 HA TYR 63 -2.440 -9.707 -14.653 443 1HB TYR 63 HB2 TYR 63 -2.270 -11.880 -12.676 444 2HB TYR 63 HB1 TYR 63 -3.219 -12.297 -14.102 445 HD1 TYR 63 HD1 TYR 63 0.110 -11.401 -12.838 446 HD2 TYR 63 HD2 TYR 63 -2.210 -12.289 -16.342 447 HE1 TYR 63 HE1 TYR 63 2.197 -11.708 -14.143 448 HE2 TYR 63 HE2 TYR 63 -0.124 -12.596 -17.646 449 HH TYR 63 HH TYR 63 2.274 -11.797 -17.492 450 H TYR 64 HN TYR 64 -4.620 -9.178 -12.202 451 HA TYR 64 HA TYR 64 -6.978 -10.041 -13.840 452 1HB TYR 64 HB2 TYR 64 -6.356 -9.700 -10.927 453 2HB TYR 64 HB1 TYR 64 -8.024 -9.474 -11.454 454 HD1 TYR 64 HD1 TYR 64 -9.375 -11.359 -11.324 455 HD2 TYR 64 HD2 TYR 64 -5.195 -11.840 -12.193 456 HE1 TYR 64 HE1 TYR 64 -9.677 -13.819 -11.420 457 HE2 TYR 64 HE2 TYR 64 -5.498 -14.299 -12.289 458 HH TYR 64 HH TYR 64 -8.711 -15.775 -11.805 459 HA PRO 65 HA PRO 65 -7.518 -5.729 -14.592 460 1HB PRO 65 HB2 PRO 65 -10.043 -5.856 -15.651 461 2HB PRO 65 HB1 PRO 65 -8.592 -6.342 -16.551 462 1HG PRO 65 HG2 PRO 65 -10.606 -8.028 -15.155 463 2HG PRO 65 HG1 PRO 65 -9.749 -8.317 -16.677 464 1HD PRO 65 HD2 PRO 65 -9.074 -9.494 -14.301 465 2HD PRO 65 HD1 PRO 65 -7.927 -9.213 -15.629 466 H ASN 66 HN ASN 66 -9.184 -7.608 -12.332 467 HA ASN 66 HA ASN 66 -10.915 -5.368 -11.401 468 1HB ASN 66 HB2 ASN 66 -11.684 -7.784 -11.717 469 2HB ASN 66 HB1 ASN 66 -10.670 -8.192 -10.333 470 1HD2 ASN 66 HD21 ASN 66 -12.719 -5.281 -10.873 471 2HD2 ASN 66 HD22 ASN 66 -13.674 -5.513 -9.489 472 H GLY 67 HN GLY 67 -7.869 -6.824 -10.771 473 1HA GLY 67 HA2 GLY 67 -7.691 -5.295 -8.218 474 2HA GLY 67 HA1 GLY 67 -7.080 -6.949 -8.306 475 H GLY 68 HN GLY 68 -6.605 -3.669 -9.537 476 1HA GLY 68 HA2 GLY 68 -4.110 -4.415 -10.886 477 2HA GLY 68 HA1 GLY 68 -4.772 -2.780 -10.751 478 H LEU 69 HN LEU 69 -3.859 -5.289 -8.407 479 HA LEU 69 HA LEU 69 -2.927 -3.380 -6.455 480 1HB LEU 69 HB2 LEU 69 -2.074 -6.266 -6.577 481 2HB LEU 69 HB1 LEU 69 -2.504 -5.296 -5.172 482 HG LEU 69 HG LEU 69 -4.317 -6.593 -7.185 483 1HD1 LEU 69 HD11 LEU 69 -5.414 -7.422 -5.192 484 2HD1 LEU 69 HD12 LEU 69 -4.470 -6.341 -4.166 485 3HD1 LEU 69 HD13 LEU 69 -3.681 -7.682 -4.996 486 1HD2 LEU 69 HD21 LEU 69 -5.544 -4.687 -7.245 487 2HD2 LEU 69 HD22 LEU 69 -4.649 -3.970 -5.909 488 3HD2 LEU 69 HD23 LEU 69 -5.982 -5.077 -5.584 489 H THR 70 HN THR 70 -1.700 -2.425 -8.483 490 HA THR 70 HA THR 70 0.708 -3.427 -9.510 491 HB THR 70 HB THR 70 -0.195 -0.647 -8.722 492 HG1 THR 70 HG1 THR 70 0.030 -2.008 -11.200 493 1HG2 THR 70 HG21 THR 70 1.925 0.045 -9.034 494 2HG2 THR 70 HG22 THR 70 1.742 -0.423 -10.725 495 3HG2 THR 70 HG23 THR 70 2.433 -1.558 -9.565 496 H ARG 71 HN ARG 71 2.913 -3.242 -8.835 497 HA ARG 71 HA ARG 71 4.606 -3.508 -7.191 498 1HB ARG 71 HB2 ARG 71 3.110 -0.971 -6.478 499 2HB ARG 71 HB1 ARG 71 4.658 -1.407 -5.753 500 1HG ARG 71 HG2 ARG 71 5.018 -1.766 -8.514 501 2HG ARG 71 HG1 ARG 71 4.128 -0.250 -8.357 502 1HD ARG 71 HD2 ARG 71 6.211 0.636 -7.981 503 2HD ARG 71 HD1 ARG 71 5.974 0.003 -6.340 504 HE ARG 71 HE ARG 71 7.810 -1.082 -8.289 505 1HH1 ARG 71 HH11 ARG 71 7.544 -1.365 -5.171 506 2HH1 ARG 71 HH12 ARG 71 7.434 -3.089 -5.049 507 1HH2 ARG 71 HH21 ARG 71 6.810 -3.552 -8.428 508 2HH2 ARG 71 HH22 ARG 71 7.020 -4.328 -6.894 509 H ASN 72 HN ASN 72 4.548 -2.730 -4.456 510 HA ASN 72 HA ASN 72 3.032 -4.961 -3.298 511 1HB ASN 72 HB2 ASN 72 4.327 -4.405 -1.350 512 2HB ASN 72 HB1 ASN 72 5.388 -4.180 -2.740 513 1HD2 ASN 72 HD21 ASN 72 3.095 -2.300 -0.709 514 2HD2 ASN 72 HD22 ASN 72 3.964 -0.846 -0.788 515 H TYR 73 HN TYR 73 1.536 -2.543 -4.426 516 HA TYR 73 HA TYR 73 0.519 -0.934 -2.280 517 1HB TYR 73 HB2 TYR 73 -0.775 -1.856 -4.875 518 2HB TYR 73 HB1 TYR 73 -1.280 -0.467 -3.917 519 HD1 TYR 73 HD1 TYR 73 1.991 -0.210 -3.300 520 HD2 TYR 73 HD2 TYR 73 -0.617 -0.026 -6.708 521 HE1 TYR 73 HE1 TYR 73 3.640 1.211 -4.487 522 HE2 TYR 73 HE2 TYR 73 1.032 1.395 -7.894 523 HH TYR 73 HH TYR 73 4.126 1.645 -7.132 524 H CYS 74 HN CYS 74 -1.180 -1.280 -0.871 525 HA CYS 74 HA CYS 74 -2.117 -4.045 -0.504 526 1HB CYS 74 HB2 CYS 74 -1.501 -2.834 1.462 527 2HB CYS 74 HB1 CYS 74 -2.409 -1.409 0.957 528 H ARG 75 HN ARG 75 -4.132 -4.763 -1.130 529 HA ARG 75 HA ARG 75 -6.206 -2.746 -1.866 530 1HB ARG 75 HB2 ARG 75 -4.583 -4.432 -3.598 531 2HB ARG 75 HB1 ARG 75 -6.303 -4.752 -3.819 532 1HG ARG 75 HG2 ARG 75 -6.167 -2.958 -5.234 533 2HG ARG 75 HG1 ARG 75 -6.338 -2.041 -3.737 534 1HD ARG 75 HD2 ARG 75 -4.127 -1.385 -3.731 535 2HD ARG 75 HD1 ARG 75 -3.577 -2.886 -4.502 536 HE ARG 75 HE ARG 75 -4.050 -1.925 -6.623 537 1HH1 ARG 75 HH21 ARG 75 -3.300 0.716 -5.552 538 2HH1 ARG 75 HH22 ARG 75 -4.700 1.681 -5.881 539 1HH2 ARG 75 HH11 ARG 75 -6.781 -1.043 -6.405 540 2HH2 ARG 75 HH12 ARG 75 -6.672 0.685 -6.363 541 H ASN 76 HN ASN 76 -8.280 -4.150 -2.560 542 HA ASN 76 HA ASN 76 -8.538 -6.439 -0.636 543 1HB ASN 76 HB2 ASN 76 -9.552 -4.387 0.248 544 2HB ASN 76 HB1 ASN 76 -10.457 -4.171 -1.248 545 1HD2 ASN 76 HD21 ASN 76 -12.177 -4.288 0.755 546 2HD2 ASN 76 HD22 ASN 76 -12.866 -5.825 0.966 547 HA PRO 77 HA PRO 77 -9.930 -7.655 -4.875 548 1HB PRO 77 HB2 PRO 77 -8.519 -9.994 -4.972 549 2HB PRO 77 HB1 PRO 77 -7.835 -8.433 -5.465 550 1HG PRO 77 HG2 PRO 77 -7.432 -9.969 -2.958 551 2HG PRO 77 HG1 PRO 77 -6.294 -8.960 -3.862 552 1HD PRO 77 HD2 PRO 77 -7.597 -8.176 -1.564 553 2HD PRO 77 HD1 PRO 77 -6.926 -7.064 -2.776 554 H ASP 78 HN ASP 78 -10.473 -8.577 -1.753 555 HA ASP 78 HA ASP 78 -12.149 -10.937 -2.550 556 1HB ASP 78 HB2 ASP 78 -10.094 -10.848 -0.782 557 2HB ASP 78 HB1 ASP 78 -11.430 -10.430 0.290 558 H ALA 79 HN ALA 79 -12.340 -7.701 -1.760 559 HA ALA 79 HA ALA 79 -14.122 -6.331 -1.024 560 1HB ALA 79 HB1 ALA 79 -16.091 -8.513 -1.225 561 2HB ALA 79 HB2 ALA 79 -15.069 -8.348 -2.654 562 3HB ALA 79 HB3 ALA 79 -16.028 -6.978 -2.092 563 H GLU 80 HN GLU 80 -12.712 -8.337 0.864 564 HA GLU 80 HA GLU 80 -14.696 -9.122 2.840 565 1HB GLU 80 HB2 GLU 80 -12.186 -9.866 2.205 566 2HB GLU 80 HB1 GLU 80 -11.817 -8.747 3.518 567 1HG GLU 80 HG2 GLU 80 -12.242 -10.488 4.900 568 2HG GLU 80 HG1 GLU 80 -13.942 -10.194 4.535 569 H ILE 81 HN ILE 81 -13.591 -8.291 5.250 570 HA ILE 81 HA ILE 81 -14.785 -5.850 5.848 571 HB ILE 81 HB ILE 81 -13.129 -5.817 7.752 572 1HG1 ILE 81 HG12 ILE 81 -11.772 -8.155 7.595 573 2HG1 ILE 81 HG11 ILE 81 -11.786 -7.698 5.891 574 1HG2 ILE 81 HG21 ILE 81 -14.288 -8.527 7.061 575 2HG2 ILE 81 HG22 ILE 81 -15.159 -7.209 7.846 576 3HG2 ILE 81 HG23 ILE 81 -13.810 -7.990 8.671 577 1HD1 ILE 81 HD11 ILE 81 -10.234 -6.114 6.254 578 2HD1 ILE 81 HD12 ILE 81 -10.100 -6.687 7.917 579 3HD1 ILE 81 HD13 ILE 81 -11.224 -5.387 7.520 580 H SER 82 HN SER 82 -11.498 -6.401 4.610 581 HA SER 82 HA SER 82 -11.376 -3.669 3.552 582 1HB SER 82 HB2 SER 82 -10.045 -2.755 5.174 583 2HB SER 82 HB1 SER 82 -10.717 -4.029 6.187 584 HG SER 82 HG SER 82 -8.397 -3.953 6.172 585 HA PRO 83 HA PRO 83 -8.257 -5.430 1.004 586 1HB PRO 83 HB2 PRO 83 -6.178 -3.659 1.014 587 2HB PRO 83 HB1 PRO 83 -7.729 -3.321 0.222 588 1HG PRO 83 HG2 PRO 83 -6.677 -2.346 2.814 589 2HG PRO 83 HG1 PRO 83 -7.712 -1.529 1.634 590 1HD PRO 83 HD2 PRO 83 -8.600 -2.676 3.987 591 2HD PRO 83 HD1 PRO 83 -9.619 -2.339 2.573 592 H TRP 84 HN TRP 84 -6.122 -6.445 0.898 593 HA TRP 84 HA TRP 84 -4.468 -6.612 3.331 594 1HB TRP 84 HB2 TRP 84 -4.939 -9.043 3.589 595 2HB TRP 84 HB1 TRP 84 -6.403 -8.081 3.798 596 HD1 TRP 84 HD1 TRP 84 -8.246 -8.191 1.909 597 HE1 TRP 84 HE1 TRP 84 -8.650 -9.842 -0.030 598 HE3 TRP 84 HE3 TRP 84 -3.741 -10.591 1.845 599 HZ2 TRP 84 HZ2 TRP 84 -7.244 -11.911 -1.424 600 HZ3 TRP 84 HZ3 TRP 84 -3.299 -12.395 0.206 601 HH2 TRP 84 HH2 TRP 84 -5.043 -13.058 -1.428 602 H CYS 85 HN CYS 85 -2.566 -8.164 2.882 603 HA CYS 85 HA CYS 85 -2.132 -9.198 0.224 604 1HB CYS 85 HB2 CYS 85 -0.264 -7.303 -0.146 605 2HB CYS 85 HB1 CYS 85 -1.918 -7.105 -0.709 606 H TYR 86 HN TYR 86 0.256 -9.721 -0.129 607 HA TYR 86 HA TYR 86 1.333 -11.077 2.170 608 1HB TYR 86 HB2 TYR 86 2.910 -10.271 -0.278 609 2HB TYR 86 HB1 TYR 86 3.018 -11.763 0.651 610 HD1 TYR 86 HD1 TYR 86 -0.104 -12.053 0.860 611 HD2 TYR 86 HD2 TYR 86 2.604 -11.424 -2.416 612 HE1 TYR 86 HE1 TYR 86 -1.720 -13.129 -0.682 613 HE2 TYR 86 HE2 TYR 86 0.988 -12.500 -3.956 614 HH TYR 86 HH TYR 86 -1.680 -14.291 -2.866 615 H THR 87 HN THR 87 3.328 -10.548 3.331 616 HA THR 87 HA THR 87 3.850 -7.602 3.434 617 HB THR 87 HB THR 87 4.338 -7.921 5.683 618 HG1 THR 87 HG1 THR 87 5.731 -9.379 6.171 619 1HG2 THR 87 HG21 THR 87 2.081 -9.241 4.794 620 2HG2 THR 87 HG22 THR 87 2.468 -8.896 6.478 621 3HG2 THR 87 HG23 THR 87 2.887 -10.461 5.781 622 H MET 88 HN MET 88 6.035 -6.847 3.453 623 HA MET 88 HA MET 88 7.887 -8.076 1.681 624 1HB MET 88 HB2 MET 88 9.396 -6.353 2.533 625 2HB MET 88 HB1 MET 88 7.770 -5.683 2.397 626 1HG MET 88 HG2 MET 88 8.198 -5.003 4.543 627 2HG MET 88 HG1 MET 88 7.642 -6.633 4.919 628 1HE MET 88 HE1 MET 88 11.415 -4.784 6.129 629 2HE MET 88 HE2 MET 88 9.724 -4.580 6.580 630 3HE MET 88 HE3 MET 88 10.271 -4.068 4.986 631 H ASP 89 HN ASP 89 7.108 -9.008 4.894 632 HA ASP 89 HA ASP 89 9.787 -10.206 5.358 633 1HB ASP 89 HB2 ASP 89 7.847 -8.930 6.936 634 2HB ASP 89 HB1 ASP 89 7.740 -10.633 7.384 635 HA PRO 90 HA PRO 90 8.093 -14.020 3.837 636 1HB PRO 90 HB2 PRO 90 10.194 -15.612 4.602 637 2HB PRO 90 HB1 PRO 90 10.248 -14.559 3.174 638 1HG PRO 90 HG2 PRO 90 11.358 -14.100 5.904 639 2HG PRO 90 HG1 PRO 90 12.069 -13.736 4.323 640 1HD PRO 90 HD2 PRO 90 10.899 -11.838 5.864 641 2HD PRO 90 HD1 PRO 90 10.874 -11.776 4.087 642 H ASN 91 HN ASN 91 8.844 -13.176 7.068 643 HA ASN 91 HA ASN 91 7.977 -15.698 8.294 644 1HB ASN 91 HB2 ASN 91 8.558 -12.899 9.315 645 2HB ASN 91 HB1 ASN 91 8.177 -14.263 10.366 646 1HD2 ASN 91 HD21 ASN 91 10.789 -12.608 9.694 647 2HD2 ASN 91 HD22 ASN 91 11.952 -13.829 9.502 648 H VAL 92 HN VAL 92 6.458 -12.956 6.926 649 HA VAL 92 HA VAL 92 3.926 -13.569 8.411 650 HB VAL 92 HB VAL 92 4.910 -10.989 7.138 651 1HG1 VAL 92 HG11 VAL 92 2.926 -9.981 7.921 652 2HG1 VAL 92 HG12 VAL 92 2.585 -11.303 9.035 653 3HG1 VAL 92 HG13 VAL 92 2.364 -11.532 7.300 654 1HG2 VAL 92 HG21 VAL 92 4.626 -10.505 9.813 655 2HG2 VAL 92 HG22 VAL 92 6.155 -10.946 9.053 656 3HG2 VAL 92 HG23 VAL 92 5.171 -12.181 9.837 657 H ARG 93 HN ARG 93 3.335 -15.171 6.799 658 HA ARG 93 HA ARG 93 3.379 -15.168 4.070 659 1HB ARG 93 HB2 ARG 93 1.055 -15.756 5.929 660 2HB ARG 93 HB1 ARG 93 1.119 -16.281 4.246 661 1HG ARG 93 HG2 ARG 93 3.214 -16.972 6.325 662 2HG ARG 93 HG1 ARG 93 1.891 -18.040 5.855 663 1HD ARG 93 HD2 ARG 93 2.993 -17.283 3.412 664 2HD ARG 93 HD1 ARG 93 4.407 -17.510 4.462 665 HE ARG 93 HE ARG 93 3.222 -19.728 5.125 666 1HH1 ARG 93 HH11 ARG 93 4.810 -20.027 2.657 667 2HH1 ARG 93 HH12 ARG 93 3.657 -20.658 1.528 668 1HH2 ARG 93 HH21 ARG 93 0.902 -19.734 3.424 669 2HH2 ARG 93 HH22 ARG 93 1.442 -20.491 1.962 670 H TRP 94 HN TRP 94 0.473 -13.867 5.684 671 HA TRP 94 HA TRP 94 0.531 -11.484 3.916 672 1HB TRP 94 HB2 TRP 94 -1.586 -12.015 2.914 673 2HB TRP 94 HB1 TRP 94 -0.604 -13.473 2.780 674 HD1 TRP 94 HD1 TRP 94 -1.062 -15.403 4.681 675 HE1 TRP 94 HE1 TRP 94 -3.264 -16.047 5.857 676 HE3 TRP 94 HE3 TRP 94 -3.807 -11.194 3.776 677 HZ2 TRP 94 HZ2 TRP 94 -5.849 -14.925 6.348 678 HZ3 TRP 94 HZ3 TRP 94 -6.134 -11.008 4.607 679 HH2 TRP 94 HH2 TRP 94 -7.156 -12.868 5.889 680 H GLU 95 HN GLU 95 -1.526 -10.095 4.514 681 HA GLU 95 HA GLU 95 -2.797 -10.510 7.071 682 1HB GLU 95 HB2 GLU 95 -0.122 -9.868 7.226 683 2HB GLU 95 HB1 GLU 95 -0.887 -8.285 7.371 684 1HG GLU 95 HG2 GLU 95 -1.059 -8.860 9.573 685 2HG GLU 95 HG1 GLU 95 -2.480 -9.748 9.019 686 H TYR 96 HN TYR 96 -4.411 -8.947 7.381 687 HA TYR 96 HA TYR 96 -5.243 -7.328 5.190 688 1HB TYR 96 HB2 TYR 96 -5.838 -7.462 8.149 689 2HB TYR 96 HB1 TYR 96 -6.625 -6.255 7.131 690 HD1 TYR 96 HD1 TYR 96 -8.271 -6.883 5.468 691 HD2 TYR 96 HD2 TYR 96 -6.220 -9.872 7.774 692 HE1 TYR 96 HE1 TYR 96 -9.895 -8.592 4.698 693 HE2 TYR 96 HE2 TYR 96 -7.845 -11.579 7.005 694 HH TYR 96 HH TYR 96 -9.926 -11.835 6.039 695 H CYS 97 HN CYS 97 -5.614 -4.810 5.658 696 HA CYS 97 HA CYS 97 -2.943 -3.698 6.438 697 1HB CYS 97 HB2 CYS 97 -5.120 -2.789 4.539 698 2HB CYS 97 HB1 CYS 97 -3.696 -1.820 4.915 699 H ASN 98 HN ASN 98 -3.014 -1.505 7.454 700 HA ASN 98 HA ASN 98 -4.816 -1.363 9.696 701 1HB ASN 98 HB2 ASN 98 -2.904 0.545 8.326 702 2HB ASN 98 HB1 ASN 98 -3.802 1.014 9.770 703 1HD2 ASN 98 HD21 ASN 98 -1.072 0.972 10.080 704 2HD2 ASN 98 HD22 ASN 98 -0.581 -0.388 10.969 705 H LEU 99 HN LEU 99 -6.768 -1.661 8.039 706 HA LEU 99 HA LEU 99 -7.612 0.976 6.940 707 1HB LEU 99 HB2 LEU 99 -8.233 -1.920 6.429 708 2HB LEU 99 HB1 LEU 99 -9.302 -0.663 5.820 709 HG LEU 99 HG LEU 99 -7.227 -1.577 4.398 710 1HD1 LEU 99 HD11 LEU 99 -7.404 0.405 3.073 711 2HD1 LEU 99 HD12 LEU 99 -7.871 1.373 4.472 712 3HD1 LEU 99 HD13 LEU 99 -8.982 0.166 3.823 713 1HD2 LEU 99 HD21 LEU 99 -5.309 -0.061 4.572 714 2HD2 LEU 99 HD22 LEU 99 -5.552 -0.909 6.095 715 3HD2 LEU 99 HD23 LEU 99 -6.067 0.768 5.931 716 H THR 100 HN THR 100 -9.452 1.955 7.606 717 HA THR 100 HA THR 100 -11.384 0.635 9.416 718 HB THR 100 HB THR 100 -11.042 2.825 10.839 719 HG1 THR 100 HG1 THR 100 -9.131 3.762 10.612 720 1HG2 THR 100 HG21 THR 100 -10.295 0.215 11.144 721 2HG2 THR 100 HG22 THR 100 -10.063 1.462 12.369 722 3HG2 THR 100 HG23 THR 100 -8.742 1.039 11.282 723 H GLN 101 HN GLN 101 -13.370 1.987 9.577 724 HA GLN 101 HA GLN 101 -14.099 3.272 7.124 725 1HB GLN 101 HB2 GLN 101 -15.204 2.770 9.813 726 2HB GLN 101 HB1 GLN 101 -15.871 4.194 9.014 727 1HG GLN 101 HG2 GLN 101 -16.175 2.698 6.948 728 2HG GLN 101 HG1 GLN 101 -15.870 1.337 8.029 729 1HE2 GLN 101 HE21 GLN 101 -18.261 0.879 7.322 730 2HE2 GLN 101 HE22 GLN 101 -19.477 1.573 8.282 731 H CYS 102 HN CYS 102 -13.133 5.173 6.450 732 HA CYS 102 HA CYS 102 -11.710 7.039 7.957 733 1HB CYS 102 HB2 CYS 102 -13.529 7.550 5.582 734 2HB CYS 102 HB1 CYS 102 -12.191 8.580 6.087 735 HA PRO 103 HA PRO 103 -14.913 8.924 10.374 736 1HB PRO 103 HB2 PRO 103 -13.367 10.867 11.514 737 2HB PRO 103 HB1 PRO 103 -13.305 9.167 12.018 738 1HG PRO 103 HG2 PRO 103 -11.414 10.712 10.347 739 2HG PRO 103 HG1 PRO 103 -11.108 9.371 11.459 740 1HD PRO 103 HD2 PRO 103 -11.218 9.182 8.687 741 2HD PRO 103 HD1 PRO 103 -11.351 7.823 9.824 742 H VAL 104 HN VAL 104 -15.347 11.519 10.849 743 HA VAL 104 HA VAL 104 -15.127 12.949 8.223 744 HB VAL 104 HB VAL 104 -17.546 12.561 10.016 745 1HG1 VAL 104 HG11 VAL 104 -18.212 14.563 9.198 746 2HG1 VAL 104 HG12 VAL 104 -18.368 13.749 7.641 747 3HG1 VAL 104 HG13 VAL 104 -16.884 14.614 8.039 748 1HG2 VAL 104 HG21 VAL 104 -18.146 11.841 7.394 749 2HG2 VAL 104 HG22 VAL 104 -17.795 10.726 8.714 750 3HG2 VAL 104 HG23 VAL 104 -16.506 11.236 7.624 751 H THR 105 HN THR 105 -14.372 13.017 11.436 752 HA THR 105 HA THR 105 -15.049 15.828 12.004 753 HB THR 105 HB THR 105 -14.980 13.881 13.650 754 HG1 THR 105 HG1 THR 105 -14.528 15.286 15.173 755 1HG2 THR 105 HG21 THR 105 -12.433 13.551 12.535 756 2HG2 THR 105 HG22 THR 105 -13.083 12.705 13.939 757 3HG2 THR 105 HG23 THR 105 -12.136 14.177 14.157 758 H GLU 106 HN GLU 106 -13.476 15.641 9.663 759 HA GLU 106 HA GLU 106 -11.387 17.480 10.157 760 1HB GLU 106 HB2 GLU 106 -9.469 15.814 9.787 761 2HB GLU 106 HB1 GLU 106 -10.265 15.737 11.358 762 1HG GLU 106 HG2 GLU 106 -11.703 13.892 10.516 763 2HG GLU 106 HG1 GLU 106 -10.835 13.943 8.980 764 H SER 107 HN SER 107 -13.293 17.377 8.187 765 HA SER 107 HA SER 107 -11.647 16.905 5.737 766 1HB SER 107 HB2 SER 107 -13.260 15.010 6.329 767 2HB SER 107 HB1 SER 107 -14.567 16.150 6.024 768 HG SER 107 HG SER 107 -14.300 15.449 4.045 769 H SER 108 HN SER 108 -11.648 19.405 6.359 770 HA SER 108 HA SER 108 -14.020 20.681 5.033 771 1HB SER 108 HB2 SER 108 -12.886 20.999 7.613 772 2HB SER 108 HB1 SER 108 -12.489 22.460 6.712 773 HG SER 108 HG SER 108 -14.733 22.573 6.151 774 H VAL 109 HN VAL 109 -11.505 19.702 3.763 775 HA VAL 109 HA VAL 109 -9.631 21.776 3.251 776 HB VAL 109 HB VAL 109 -10.680 19.496 1.544 777 1HG1 VAL 109 HG11 VAL 109 -8.022 20.907 1.249 778 2HG1 VAL 109 HG12 VAL 109 -9.445 21.390 0.325 779 3HG1 VAL 109 HG13 VAL 109 -8.780 19.768 0.136 780 1HG2 VAL 109 HG21 VAL 109 -8.809 19.740 3.804 781 2HG2 VAL 109 HG22 VAL 109 -8.139 18.876 2.420 782 3HG2 VAL 109 HG23 VAL 109 -9.630 18.312 3.175 783 H LEU 110 HN LEU 110 -9.564 23.381 1.600 784 HA LEU 110 HA LEU 110 -12.182 23.907 0.228 785 1HB LEU 110 HB2 LEU 110 -11.511 25.420 2.142 786 2HB LEU 110 HB1 LEU 110 -10.115 25.911 1.181 787 HG LEU 110 HG LEU 110 -11.734 26.544 -0.662 788 1HD1 LEU 110 HD11 LEU 110 -13.544 25.204 1.019 789 2HD1 LEU 110 HD12 LEU 110 -13.937 26.124 -0.433 790 3HD1 LEU 110 HD13 LEU 110 -13.976 26.910 1.145 791 1HD2 LEU 110 HD21 LEU 110 -11.627 28.655 0.154 792 2HD2 LEU 110 HD22 LEU 110 -10.901 27.945 1.597 793 3HD2 LEU 110 HD23 LEU 110 -12.638 28.247 1.540 794 H ALA 111 HN ALA 111 -11.341 22.724 -1.662 795 HA ALA 111 HA ALA 111 -8.895 23.651 -2.980 796 1HB ALA 111 HB1 ALA 111 -10.065 21.316 -2.944 797 2HB ALA 111 HB2 ALA 111 -9.350 21.870 -4.458 798 3HB ALA 111 HB3 ALA 111 -11.092 21.990 -4.209 799 H THR 112 HN THR 112 -9.396 24.004 -5.563 800 HA THR 112 HA THR 112 -11.658 25.923 -5.870 801 HB THR 112 HB THR 112 -10.038 27.578 -6.793 802 HG1 THR 112 HG1 THR 112 -7.926 26.156 -5.688 803 1HG2 THR 112 HG21 THR 112 -10.602 27.092 -4.190 804 2HG2 THR 112 HG22 THR 112 -9.577 28.424 -4.722 805 3HG2 THR 112 HG23 THR 112 -8.847 26.921 -4.158 806 H SER 113 HN SER 113 -10.953 26.863 -8.405 807 HA SER 113 HA SER 113 -11.526 24.511 -10.062 808 1HB SER 113 HB2 SER 113 -11.750 26.233 -11.808 809 2HB SER 113 HB1 SER 113 -12.588 26.740 -10.344 810 HG SER 113 HG SER 113 -10.028 27.540 -11.275 811 H THR 114 HN THR 114 -10.099 23.550 -11.531 812 HA THR 114 HA THR 114 -7.316 23.550 -11.079 813 HB THR 114 HB THR 114 -8.641 21.850 -12.312 814 HG1 THR 114 HG1 THR 114 -6.455 23.089 -13.592 815 1HG2 THR 114 HG21 THR 114 -9.975 23.662 -13.549 816 2HG2 THR 114 HG22 THR 114 -9.504 22.246 -14.488 817 3HG2 THR 114 HG23 THR 114 -8.605 23.754 -14.654 818 H ALA 115 HN ALA 115 -5.796 25.098 -11.502 819 HA ALA 115 HA ALA 115 -6.233 26.936 -13.826 820 1HB ALA 115 HB1 ALA 115 -5.984 28.804 -12.465 821 2HB ALA 115 HB2 ALA 115 -5.016 27.932 -11.276 822 3HB ALA 115 HB3 ALA 115 -6.764 27.704 -11.328 823 H VAL 116 HN VAL 116 -3.749 28.368 -12.759 824 HA VAL 116 HA VAL 116 -1.736 26.324 -13.644 825 HB VAL 116 HB VAL 116 -1.899 29.319 -14.120 826 1HG1 VAL 116 HG11 VAL 116 0.391 28.990 -14.122 827 2HG1 VAL 116 HG12 VAL 116 0.029 28.530 -15.785 828 3HG1 VAL 116 HG13 VAL 116 0.251 27.286 -14.555 829 1HG2 VAL 116 HG21 VAL 116 -3.129 28.724 -15.914 830 2HG2 VAL 116 HG22 VAL 116 -2.943 27.017 -15.515 831 3HG2 VAL 116 HG23 VAL 116 -1.739 27.824 -16.519 832 H SER 117 HN SER 117 0.286 26.364 -12.545 833 HA SER 117 HA SER 117 0.194 27.544 -9.835 834 1HB SER 117 HB2 SER 117 1.835 25.528 -11.343 835 2HB SER 117 HB1 SER 117 2.456 26.194 -9.836 836 HG SER 117 HG SER 117 1.264 24.450 -9.255 837 H GLU 118 HN GLU 118 1.625 29.147 -9.121 838 HA GLU 118 HA GLU 118 3.286 30.460 -11.244 839 1HB GLU 118 HB2 GLU 118 1.203 31.407 -9.691 840 2HB GLU 118 HB1 GLU 118 2.624 31.963 -8.805 841 1HG GLU 118 HG2 GLU 118 2.622 32.307 -11.771 842 2HG GLU 118 HG1 GLU 118 1.599 33.385 -10.819 843 H GLN 119 HN GLN 119 5.400 29.827 -10.936 844 HA GLN 119 HA GLN 119 6.423 29.648 -8.122 845 1HB GLN 119 HB2 GLN 119 6.443 27.850 -10.247 846 2HB GLN 119 HB1 GLN 119 8.070 28.531 -10.271 847 1HG GLN 119 HG2 GLN 119 6.782 27.529 -7.727 848 2HG GLN 119 HG1 GLN 119 7.733 26.479 -8.779 849 1HE2 GLN 119 HE21 GLN 119 8.741 26.868 -6.230 850 2HE2 GLN 119 HE22 GLN 119 10.089 27.898 -6.273 Start of MODEL 4 1 1H ALA 1 HT1 ALA 1 31.265 17.545 -2.910 2 2H ALA 1 HT2 ALA 1 32.187 18.230 -4.162 3 3H ALA 1 HT3 ALA 1 31.688 19.187 -2.850 4 HA ALA 1 HA ALA 1 33.532 16.864 -2.599 5 1HB ALA 1 HB1 ALA 1 35.012 18.266 -3.584 6 2HB ALA 1 HB2 ALA 1 34.859 19.297 -2.162 7 3HB ALA 1 HB3 ALA 1 33.847 19.590 -3.576 8 H ARG 2 HN ARG 2 32.311 19.931 -1.203 9 HA ARG 2 HA ARG 2 32.669 18.707 1.516 10 1HB ARG 2 HB2 ARG 2 33.746 21.076 0.293 11 2HB ARG 2 HB1 ARG 2 32.695 21.553 1.627 12 1HG ARG 2 HG2 ARG 2 34.308 19.266 2.374 13 2HG ARG 2 HG1 ARG 2 35.332 20.592 1.822 14 1HD ARG 2 HD2 ARG 2 33.641 22.011 3.363 15 2HD ARG 2 HD1 ARG 2 33.548 20.453 4.208 16 HE ARG 2 HE ARG 2 35.826 20.697 4.815 17 1HH1 ARG 2 HH21 ARG 2 35.573 23.603 4.924 18 2HH1 ARG 2 HH22 ARG 2 36.772 24.159 3.805 19 1HH2 ARG 2 HH11 ARG 2 37.108 21.086 2.231 20 2HH2 ARG 2 HH12 ARG 2 37.642 22.733 2.281 21 H ILE 3 HN ILE 3 30.981 21.473 -0.032 22 HA ILE 3 HA ILE 3 28.850 21.640 1.838 23 HB ILE 3 HB ILE 3 27.726 22.815 -0.115 24 1HG1 ILE 3 HG12 ILE 3 30.184 22.700 -1.719 25 2HG1 ILE 3 HG11 ILE 3 29.350 21.150 -1.617 26 1HG2 ILE 3 HG21 ILE 3 30.467 23.396 0.922 27 2HG2 ILE 3 HG22 ILE 3 28.977 24.320 1.111 28 3HG2 ILE 3 HG23 ILE 3 29.868 24.384 -0.410 29 1HD1 ILE 3 HD11 ILE 3 27.649 23.539 -2.108 30 2HD1 ILE 3 HD12 ILE 3 27.514 21.907 -2.764 31 3HD1 ILE 3 HD13 ILE 3 28.695 23.032 -3.434 32 H HIS 4 HN HIS 4 26.601 20.928 1.572 33 HA HIS 4 HA HIS 4 26.189 18.627 -0.289 34 1HB HIS 4 HB2 HIS 4 26.712 18.508 2.511 35 2HB HIS 4 HB1 HIS 4 25.017 18.078 2.277 36 HD1 HIS 4 HD1 HIS 4 24.595 15.718 1.596 37 HD2 HIS 4 HD2 HIS 4 28.474 16.915 0.650 38 HE1 HIS 4 HE1 HIS 4 25.768 13.674 0.669 39 H HIS 5 HN HIS 5 24.480 19.457 -1.473 40 HA HIS 5 HA HIS 5 22.381 20.459 -1.930 41 1HB HIS 5 HB2 HIS 5 21.925 19.016 0.702 42 2HB HIS 5 HB1 HIS 5 20.638 19.563 -0.373 43 HD1 HIS 5 HD1 HIS 5 21.890 16.519 0.403 44 HD2 HIS 5 HD2 HIS 5 21.832 18.530 -3.248 45 HE1 HIS 5 HE1 HIS 5 22.130 14.750 -1.393 46 H HIS 6 HN HIS 6 23.528 22.618 -1.403 47 HA HIS 6 HA HIS 6 23.079 23.845 1.194 48 1HB HIS 6 HB2 HIS 6 24.366 24.387 -1.348 49 2HB HIS 6 HB1 HIS 6 23.485 25.809 -0.790 50 HD1 HIS 6 HD1 HIS 6 26.380 26.254 -0.677 51 HD2 HIS 6 HD2 HIS 6 24.430 24.256 2.419 52 HE1 HIS 6 HE1 HIS 6 27.879 26.445 1.355 53 H HIS 7 HN HIS 7 21.087 23.286 -1.543 54 HA HIS 7 HA HIS 7 18.872 24.779 -0.327 55 1HB HIS 7 HB2 HIS 7 20.628 26.086 -2.076 56 2HB HIS 7 HB1 HIS 7 19.228 25.692 -3.073 57 HD1 HIS 7 HD1 HIS 7 20.267 27.713 -0.087 58 HD2 HIS 7 HD2 HIS 7 16.812 27.002 -2.308 59 HE1 HIS 7 HE1 HIS 7 18.570 29.441 0.656 60 H HIS 8 HN HIS 8 16.963 23.761 -0.899 61 HA HIS 8 HA HIS 8 16.978 22.028 -3.347 62 1HB HIS 8 HB2 HIS 8 16.902 21.305 -0.581 63 2HB HIS 8 HB1 HIS 8 15.328 20.926 -1.280 64 HD1 HIS 8 HD1 HIS 8 15.272 19.199 -3.245 65 HD2 HIS 8 HD2 HIS 8 19.051 19.745 -1.571 66 HE1 HIS 8 HE1 HIS 8 16.720 17.312 -4.114 67 H HIS 9 HN HIS 9 15.381 22.777 -4.681 68 HA HIS 9 HA HIS 9 12.840 23.764 -3.427 69 1HB HIS 9 HB2 HIS 9 14.811 25.123 -4.995 70 2HB HIS 9 HB1 HIS 9 13.338 25.004 -5.957 71 HD1 HIS 9 HD1 HIS 9 13.657 25.444 -2.187 72 HD2 HIS 9 HD2 HIS 9 12.141 27.469 -5.500 73 HE1 HIS 9 HE1 HIS 9 12.448 27.480 -1.290 74 H ILE 10 HN ILE 10 14.081 23.014 -6.709 75 HA ILE 10 HA ILE 10 11.715 21.203 -7.073 76 HB ILE 10 HB ILE 10 12.985 23.258 -8.902 77 1HG1 ILE 10 HG12 ILE 10 10.091 23.244 -8.657 78 2HG1 ILE 10 HG11 ILE 10 10.853 23.359 -7.070 79 1HG2 ILE 10 HG21 ILE 10 10.693 22.125 -10.112 80 2HG2 ILE 10 HG22 ILE 10 11.688 20.770 -9.580 81 3HG2 ILE 10 HG23 ILE 10 12.365 21.992 -10.657 82 1HD1 ILE 10 HD11 ILE 10 11.035 25.573 -7.535 83 2HD1 ILE 10 HD12 ILE 10 10.786 25.321 -9.262 84 3HD1 ILE 10 HD13 ILE 10 12.386 25.088 -8.558 85 H GLU 11 HN GLU 11 14.750 22.044 -8.796 86 HA GLU 11 HA GLU 11 15.134 19.369 -9.815 87 1HB GLU 11 HB2 GLU 11 17.260 20.314 -10.578 88 2HB GLU 11 HB1 GLU 11 15.984 21.512 -10.796 89 1HG GLU 11 HG2 GLU 11 16.657 22.344 -8.430 90 2HG GLU 11 HG1 GLU 11 18.140 21.428 -8.693 91 H GLY 12 HN GLY 12 16.437 17.705 -8.995 92 1HA GLY 12 HA2 GLY 12 18.286 18.102 -6.798 93 2HA GLY 12 HA1 GLY 12 16.791 17.336 -6.259 94 H ARG 13 HN ARG 13 17.046 15.164 -6.141 95 HA ARG 13 HA ARG 13 18.511 13.794 -8.370 96 1HB ARG 13 HB2 ARG 13 19.958 13.978 -6.412 97 2HB ARG 13 HB1 ARG 13 18.682 13.341 -5.373 98 1HG ARG 13 HG2 ARG 13 18.826 11.374 -7.256 99 2HG ARG 13 HG1 ARG 13 20.506 11.911 -7.211 100 1HD ARG 13 HD2 ARG 13 20.558 11.599 -4.761 101 2HD ARG 13 HD1 ARG 13 18.864 11.070 -4.793 102 HE ARG 13 HE ARG 13 20.344 9.546 -6.707 103 1HH1 ARG 13 HH11 ARG 13 18.467 8.411 -4.634 104 2HH1 ARG 13 HH12 ARG 13 19.552 7.493 -3.643 105 1HH2 ARG 13 HH21 ARG 13 22.402 9.045 -4.861 106 2HH2 ARG 13 HH22 ARG 13 21.778 7.851 -3.772 107 H ALA 14 HN ALA 14 16.376 13.229 -5.541 108 HA ALA 14 HA ALA 14 14.668 11.491 -7.261 109 1HB ALA 14 HB1 ALA 14 15.095 10.404 -4.585 110 2HB ALA 14 HB2 ALA 14 16.607 10.548 -5.481 111 3HB ALA 14 HB3 ALA 14 15.271 9.610 -6.149 112 HA PRO 15 HA PRO 15 12.516 14.313 -4.172 113 1HB PRO 15 HB2 PRO 15 11.279 15.936 -5.997 114 2HB PRO 15 HB1 PRO 15 12.889 16.278 -5.332 115 1HG PRO 15 HG2 PRO 15 12.138 15.099 -7.959 116 2HG PRO 15 HG1 PRO 15 13.431 16.241 -7.561 117 1HD PRO 15 HD2 PRO 15 13.846 13.575 -7.973 118 2HD PRO 15 HD1 PRO 15 14.881 14.584 -6.937 119 H THR 16 HN THR 16 11.593 12.711 -7.168 120 HA THR 16 HA THR 16 8.787 12.420 -6.184 121 HB THR 16 HB THR 16 8.264 12.031 -8.485 122 HG1 THR 16 HG1 THR 16 11.059 11.732 -8.845 123 1HG2 THR 16 HG21 THR 16 10.551 14.016 -8.485 124 2HG2 THR 16 HG22 THR 16 8.926 14.376 -7.900 125 3HG2 THR 16 HG23 THR 16 9.184 13.979 -9.599 126 H GLU 17 HN GLU 17 8.543 10.045 -8.015 127 HA GLU 17 HA GLU 17 8.914 7.955 -6.149 128 1HB GLU 17 HB2 GLU 17 7.652 8.332 -8.526 129 2HB GLU 17 HB1 GLU 17 9.008 7.330 -9.047 130 1HG GLU 17 HG2 GLU 17 8.429 5.703 -7.225 131 2HG GLU 17 HG1 GLU 17 6.990 6.666 -6.886 132 H GLN 18 HN GLN 18 10.650 6.539 -5.803 133 HA GLN 18 HA GLN 18 13.046 6.885 -7.510 134 1HB GLN 18 HB2 GLN 18 14.387 6.806 -5.452 135 2HB GLN 18 HB1 GLN 18 13.196 8.103 -5.349 136 1HG GLN 18 HG2 GLN 18 12.220 5.494 -4.389 137 2HG GLN 18 HG1 GLN 18 13.546 6.163 -3.438 138 1HE2 GLN 18 HE21 GLN 18 12.007 6.600 -1.650 139 2HE2 GLN 18 HE22 GLN 18 10.938 7.915 -1.745 140 H SER 19 HN SER 19 14.346 4.927 -5.549 141 HA SER 19 HA SER 19 14.217 2.541 -6.940 142 1HB SER 19 HB2 SER 19 15.486 3.377 -4.766 143 2HB SER 19 HB1 SER 19 14.208 2.493 -3.939 144 HG SER 19 HG SER 19 15.707 0.974 -4.297 145 HA PRO 20 HA PRO 20 9.823 1.747 -6.169 146 1HB PRO 20 HB2 PRO 20 9.530 0.030 -8.278 147 2HB PRO 20 HB1 PRO 20 9.476 1.795 -8.456 148 1HG PRO 20 HG2 PRO 20 11.697 -0.098 -9.033 149 2HG PRO 20 HG1 PRO 20 11.192 1.354 -9.912 150 1HD PRO 20 HD2 PRO 20 13.336 1.275 -8.217 151 2HD PRO 20 HD1 PRO 20 12.404 2.748 -8.566 152 H GLY 21 HN GLY 21 9.961 0.468 -4.287 153 1HA GLY 21 HA2 GLY 21 9.810 -2.380 -4.577 154 2HA GLY 21 HA1 GLY 21 11.404 -1.936 -3.967 155 H VAL 22 HN VAL 22 11.344 -2.413 -1.808 156 HA VAL 22 HA VAL 22 9.143 -2.514 -0.084 157 HB VAL 22 HB VAL 22 10.882 -2.125 1.687 158 1HG1 VAL 22 HG11 VAL 22 12.175 -4.082 1.157 159 2HG1 VAL 22 HG12 VAL 22 11.922 -3.852 -0.574 160 3HG1 VAL 22 HG13 VAL 22 10.573 -4.324 0.460 161 1HG2 VAL 22 HG21 VAL 22 13.251 -1.842 0.769 162 2HG2 VAL 22 HG22 VAL 22 12.226 -0.409 0.698 163 3HG2 VAL 22 HG23 VAL 22 12.503 -1.369 -0.756 164 H GLN 23 HN GLN 23 7.808 -0.958 0.767 165 HA GLN 23 HA GLN 23 8.632 1.646 1.564 166 1HB GLN 23 HB2 GLN 23 8.907 1.878 -0.891 167 2HB GLN 23 HB1 GLN 23 7.212 1.440 -1.109 168 1HG GLN 23 HG2 GLN 23 6.452 3.422 -0.035 169 2HG GLN 23 HG1 GLN 23 8.051 3.767 0.625 170 1HE2 GLN 23 HE21 GLN 23 6.178 5.256 -1.397 171 2HE2 GLN 23 HE22 GLN 23 7.224 5.636 -2.678 172 H ASP 24 HN ASP 24 7.252 1.227 3.356 173 HA ASP 24 HA ASP 24 4.567 0.260 3.195 174 1HB ASP 24 HB2 ASP 24 5.884 2.110 5.213 175 2HB ASP 24 HB1 ASP 24 4.454 1.121 5.502 176 H CYS 25 HN CYS 25 3.467 1.440 1.509 177 HA CYS 25 HA CYS 25 2.355 4.025 2.393 178 1HB CYS 25 HB2 CYS 25 4.694 4.041 0.959 179 2HB CYS 25 HB1 CYS 25 3.485 4.191 -0.314 180 H TYR 26 HN TYR 26 0.529 4.645 1.137 181 HA TYR 26 HA TYR 26 -0.324 3.038 -1.166 182 1HB TYR 26 HB2 TYR 26 -2.187 1.985 -0.078 183 2HB TYR 26 HB1 TYR 26 -0.790 1.696 0.957 184 HD1 TYR 26 HD1 TYR 26 -0.862 2.307 3.214 185 HD2 TYR 26 HD2 TYR 26 -3.628 4.099 0.461 186 HE1 TYR 26 HE1 TYR 26 -2.031 3.405 5.105 187 HE2 TYR 26 HE2 TYR 26 -4.794 5.200 2.353 188 HH TYR 26 HH TYR 26 -5.019 5.229 4.605 189 H HIS 27 HN HIS 27 -2.038 4.099 -2.294 190 HA HIS 27 HA HIS 27 -2.573 6.873 -1.341 191 1HB HIS 27 HB2 HIS 27 -3.040 5.498 -4.012 192 2HB HIS 27 HB1 HIS 27 -3.185 7.229 -3.705 193 HD1 HIS 27 HD1 HIS 27 -0.636 7.555 -1.924 194 HD2 HIS 27 HD2 HIS 27 -0.718 5.552 -5.579 195 HE1 HIS 27 HE1 HIS 27 1.739 7.568 -2.800 196 H GLY 28 HN GLY 28 -4.808 7.682 -1.452 197 1HA GLY 28 HA2 GLY 28 -7.088 7.490 -0.912 198 2HA GLY 28 HA1 GLY 28 -7.099 6.169 -2.084 199 H ASP 29 HN ASP 29 -7.746 4.262 -1.229 200 HA ASP 29 HA ASP 29 -7.053 3.709 1.623 201 1HB ASP 29 HB2 ASP 29 -9.532 2.811 0.140 202 2HB ASP 29 HB1 ASP 29 -9.240 2.716 1.877 203 H GLY 30 HN GLY 30 -5.193 2.877 -0.020 204 1HA GLY 30 HA2 GLY 30 -4.064 0.950 -0.755 205 2HA GLY 30 HA1 GLY 30 -5.278 0.004 0.115 206 H GLN 31 HN GLN 31 -6.776 2.187 -1.952 207 HA GLN 31 HA GLN 31 -7.737 0.061 -3.704 208 1HB GLN 31 HB2 GLN 31 -8.578 2.540 -2.776 209 2HB GLN 31 HB1 GLN 31 -8.238 2.844 -4.480 210 1HG GLN 31 HG2 GLN 31 -10.414 2.082 -4.651 211 2HG GLN 31 HG1 GLN 31 -9.552 0.550 -4.785 212 1HE2 GLN 31 HE21 GLN 31 -11.987 0.070 -3.873 213 2HE2 GLN 31 HE22 GLN 31 -12.054 -0.103 -2.185 214 H SER 32 HN SER 32 -5.489 2.797 -4.028 215 HA SER 32 HA SER 32 -5.117 2.498 -6.891 216 1HB SER 32 HB2 SER 32 -4.399 4.576 -6.336 217 2HB SER 32 HB1 SER 32 -4.187 4.126 -4.647 218 HG SER 32 HG SER 32 -2.152 3.574 -5.035 219 H TYR 33 HN TYR 33 -4.247 0.440 -4.430 220 HA TYR 33 HA TYR 33 -1.509 -0.183 -5.184 221 1HB TYR 33 HB2 TYR 33 -3.193 -0.695 -3.076 222 2HB TYR 33 HB1 TYR 33 -3.165 -2.258 -3.895 223 HD1 TYR 33 HD1 TYR 33 -1.116 -3.564 -4.069 224 HD2 TYR 33 HD2 TYR 33 -1.128 0.300 -2.191 225 HE1 TYR 33 HE1 TYR 33 1.144 -4.000 -3.149 226 HE2 TYR 33 HE2 TYR 33 1.130 -0.138 -1.270 227 HH TYR 33 HH TYR 33 3.186 -2.060 -2.288 228 H ARG 34 HN ARG 34 -0.910 -1.326 -6.974 229 HA ARG 34 HA ARG 34 -2.808 -3.359 -8.081 230 1HB ARG 34 HB2 ARG 34 -2.399 -0.854 -9.145 231 2HB ARG 34 HB1 ARG 34 -1.218 -1.819 -10.031 232 1HG ARG 34 HG2 ARG 34 -2.850 -3.205 -10.966 233 2HG ARG 34 HG1 ARG 34 -4.025 -2.840 -9.701 234 1HD ARG 34 HD2 ARG 34 -4.455 -1.739 -11.986 235 2HD ARG 34 HD1 ARG 34 -4.424 -0.635 -10.596 236 HE ARG 34 HE ARG 34 -2.045 -1.091 -12.362 237 1HH1 ARG 34 HH11 ARG 34 -4.340 1.206 -11.914 238 2HH1 ARG 34 HH12 ARG 34 -3.277 2.475 -11.406 239 1HH2 ARG 34 HH21 ARG 34 -0.533 0.389 -11.027 240 2HH2 ARG 34 HH22 ARG 34 -1.121 2.013 -10.904 241 H GLY 35 HN GLY 35 -0.050 -3.141 -6.570 242 1HA GLY 35 HA2 GLY 35 1.579 -4.710 -8.512 243 2HA GLY 35 HA1 GLY 35 2.214 -3.911 -7.073 244 H SER 36 HN SER 36 3.160 -6.077 -6.599 245 HA SER 36 HA SER 36 1.126 -7.952 -5.432 246 1HB SER 36 HB2 SER 36 3.446 -9.386 -5.765 247 2HB SER 36 HB1 SER 36 2.145 -9.313 -6.949 248 HG SER 36 HG SER 36 3.490 -8.320 -8.205 249 H PHE 37 HN PHE 37 1.707 -5.974 -3.714 250 HA PHE 37 HA PHE 37 4.127 -6.427 -2.147 251 1HB PHE 37 HB2 PHE 37 2.963 -4.251 -2.378 252 2HB PHE 37 HB1 PHE 37 1.553 -4.926 -1.561 253 HD1 PHE 37 HD1 PHE 37 1.504 -5.213 0.821 254 HD2 PHE 37 HD2 PHE 37 5.125 -4.006 -1.148 255 HE1 PHE 37 HE1 PHE 37 2.522 -4.681 3.019 256 HE2 PHE 37 HE2 PHE 37 6.143 -3.474 1.049 257 HZ PHE 37 HZ PHE 37 4.841 -3.811 3.133 258 H SER 38 HN SER 38 3.521 -8.871 -2.016 259 HA SER 38 HA SER 38 1.381 -9.679 -0.231 260 1HB SER 38 HB2 SER 38 2.104 -11.786 -0.830 261 2HB SER 38 HB1 SER 38 2.829 -10.859 -2.138 262 HG SER 38 HG SER 38 4.355 -12.224 -1.141 263 H THR 39 HN THR 39 3.019 -7.686 1.108 264 HA THR 39 HA THR 39 4.457 -9.356 3.136 265 HB THR 39 HB THR 39 4.647 -6.365 2.751 266 HG1 THR 39 HG1 THR 39 5.949 -6.650 1.101 267 1HG2 THR 39 HG21 THR 39 6.994 -8.010 3.449 268 2HG2 THR 39 HG22 THR 39 5.697 -8.035 4.644 269 3HG2 THR 39 HG23 THR 39 6.423 -6.501 4.162 270 H THR 40 HN THR 40 3.403 -9.577 5.066 271 HA THR 40 HA THR 40 0.974 -8.058 5.636 272 HB THR 40 HB THR 40 1.076 -9.474 7.726 273 HG1 THR 40 HG1 THR 40 3.131 -9.864 8.138 274 1HG2 THR 40 HG21 THR 40 -0.029 -10.340 5.733 275 2HG2 THR 40 HG22 THR 40 0.870 -11.643 6.511 276 3HG2 THR 40 HG23 THR 40 1.519 -10.862 5.069 277 H VAL 41 HN VAL 41 0.772 -7.057 7.917 278 HA VAL 41 HA VAL 41 2.542 -4.844 8.187 279 HB VAL 41 HB VAL 41 0.489 -6.220 9.918 280 1HG1 VAL 41 HG11 VAL 41 1.988 -5.314 11.553 281 2HG1 VAL 41 HG12 VAL 41 0.670 -4.153 11.399 282 3HG1 VAL 41 HG13 VAL 41 2.219 -3.836 10.618 283 1HG2 VAL 41 HG21 VAL 41 0.612 -4.010 7.988 284 2HG2 VAL 41 HG22 VAL 41 -0.218 -3.579 9.483 285 3HG2 VAL 41 HG23 VAL 41 -0.778 -4.951 8.528 286 H THR 42 HN THR 42 2.420 -7.950 9.959 287 HA THR 42 HA THR 42 4.515 -7.386 11.819 288 HB THR 42 HB THR 42 3.783 -10.052 10.574 289 HG1 THR 42 HG1 THR 42 2.386 -9.837 12.665 290 1HG2 THR 42 HG21 THR 42 4.957 -9.166 13.211 291 2HG2 THR 42 HG22 THR 42 5.632 -10.304 12.044 292 3HG2 THR 42 HG23 THR 42 4.222 -10.755 13.003 293 H GLY 43 HN GLY 43 4.598 -8.147 8.421 294 1HA GLY 43 HA2 GLY 43 6.609 -7.742 7.109 295 2HA GLY 43 HA1 GLY 43 7.573 -8.114 8.540 296 H ARG 44 HN ARG 44 5.005 -10.276 8.231 297 HA ARG 44 HA ARG 44 6.826 -12.471 7.512 298 1HB ARG 44 HB2 ARG 44 4.268 -12.020 8.820 299 2HB ARG 44 HB1 ARG 44 4.175 -13.370 7.689 300 1HG ARG 44 HG2 ARG 44 6.443 -14.099 8.784 301 2HG ARG 44 HG1 ARG 44 5.929 -13.052 10.108 302 1HD ARG 44 HD2 ARG 44 4.493 -15.488 9.013 303 2HD ARG 44 HD1 ARG 44 5.061 -15.208 10.671 304 HE ARG 44 HE ARG 44 2.679 -13.966 9.432 305 1HH1 ARG 44 HH21 ARG 44 3.696 -15.215 12.266 306 2HH1 ARG 44 HH22 ARG 44 3.268 -13.870 13.270 307 1HH2 ARG 44 HH11 ARG 44 2.666 -11.733 10.607 308 2HH2 ARG 44 HH12 ARG 44 2.683 -11.900 12.331 309 H THR 45 HN THR 45 5.061 -14.139 6.149 310 HA THR 45 HA THR 45 4.800 -12.741 3.505 311 HB THR 45 HB THR 45 5.517 -15.553 4.356 312 HG1 THR 45 HG1 THR 45 7.113 -14.822 2.560 313 1HG2 THR 45 HG21 THR 45 4.404 -16.330 2.552 314 2HG2 THR 45 HG22 THR 45 5.605 -15.488 1.574 315 3HG2 THR 45 HG23 THR 45 4.077 -14.700 1.965 316 H CYS 46 HN CYS 46 2.704 -12.531 2.801 317 HA CYS 46 HA CYS 46 0.526 -13.640 4.308 318 1HB CYS 46 HB2 CYS 46 0.091 -11.555 3.381 319 2HB CYS 46 HB1 CYS 46 0.922 -11.941 1.878 320 H GLN 47 HN GLN 47 -1.093 -15.100 3.533 321 HA GLN 47 HA GLN 47 -0.056 -17.230 1.767 322 1HB GLN 47 HB2 GLN 47 -1.054 -17.881 3.871 323 2HB GLN 47 HB1 GLN 47 -2.473 -16.882 3.569 324 1HG GLN 47 HG2 GLN 47 -2.773 -18.347 1.446 325 2HG GLN 47 HG1 GLN 47 -1.680 -19.471 2.254 326 1HE2 GLN 47 HE21 GLN 47 -2.912 -21.071 3.253 327 2HE2 GLN 47 HE22 GLN 47 -4.347 -20.797 4.117 328 H SER 48 HN SER 48 -0.683 -17.254 -0.405 329 HA SER 48 HA SER 48 -2.101 -15.352 -1.785 330 1HB SER 48 HB2 SER 48 -1.642 -18.286 -2.090 331 2HB SER 48 HB1 SER 48 -2.771 -17.518 -3.202 332 HG SER 48 HG SER 48 -0.624 -17.459 -3.985 333 H TRP 49 HN TRP 49 -4.318 -15.438 -2.730 334 HA TRP 49 HA TRP 49 -6.330 -15.771 -0.657 335 1HB TRP 49 HB2 TRP 49 -6.686 -15.316 -3.635 336 2HB TRP 49 HB1 TRP 49 -7.783 -14.834 -2.343 337 HD1 TRP 49 HD1 TRP 49 -4.527 -13.854 -4.030 338 HE1 TRP 49 HE1 TRP 49 -3.862 -11.503 -3.243 339 HE3 TRP 49 HE3 TRP 49 -7.941 -13.130 -0.363 340 HZ2 TRP 49 HZ2 TRP 49 -4.645 -9.571 -1.323 341 HZ3 TRP 49 HZ3 TRP 49 -7.983 -11.027 0.952 342 HH2 TRP 49 HH2 TRP 49 -6.330 -9.239 0.473 343 H SER 50 HN SER 50 -5.342 -17.541 -3.562 344 HA SER 50 HA SER 50 -7.518 -19.493 -3.402 345 1HB SER 50 HB2 SER 50 -6.111 -18.601 -5.412 346 2HB SER 50 HB1 SER 50 -4.919 -19.790 -4.897 347 HG SER 50 HG SER 50 -6.110 -21.126 -5.997 348 H SER 51 HN SER 51 -5.357 -19.112 -1.135 349 HA SER 51 HA SER 51 -4.064 -21.760 -1.081 350 1HB SER 51 HB2 SER 51 -4.145 -19.503 0.938 351 2HB SER 51 HB1 SER 51 -3.004 -20.844 0.916 352 HG SER 51 HG SER 51 -1.943 -19.282 -0.139 353 H MET 52 HN MET 52 -4.587 -23.388 0.339 354 HA MET 52 HA MET 52 -6.744 -23.028 2.327 355 1HB MET 52 HB2 MET 52 -7.598 -25.279 0.963 356 2HB MET 52 HB1 MET 52 -8.302 -23.673 0.815 357 1HG MET 52 HG2 MET 52 -6.636 -23.214 -1.026 358 2HG MET 52 HG1 MET 52 -6.193 -24.920 -0.957 359 1HE MET 52 HE1 MET 52 -8.758 -22.261 -2.120 360 2HE MET 52 HE2 MET 52 -9.266 -22.800 -0.522 361 3HE MET 52 HE3 MET 52 -10.283 -23.135 -1.921 362 H THR 53 HN THR 53 -3.787 -23.985 1.874 363 HA THR 53 HA THR 53 -3.800 -26.801 2.638 364 HB THR 53 HB THR 53 -1.307 -25.704 3.226 365 HG1 THR 53 HG1 THR 53 -1.127 -24.376 1.217 366 1HG2 THR 53 HG21 THR 53 -0.691 -27.109 1.563 367 2HG2 THR 53 HG22 THR 53 -1.740 -26.316 0.388 368 3HG2 THR 53 HG23 THR 53 -2.401 -27.534 1.480 369 HA PRO 54 HA PRO 54 -2.451 -25.207 6.923 370 1HB PRO 54 HB2 PRO 54 -2.345 -22.501 7.339 371 2HB PRO 54 HB1 PRO 54 -0.968 -23.443 6.733 372 1HG PRO 54 HG2 PRO 54 -2.901 -21.743 5.233 373 2HG PRO 54 HG1 PRO 54 -1.155 -21.931 5.012 374 1HD PRO 54 HD2 PRO 54 -2.995 -23.149 3.424 375 2HD PRO 54 HD1 PRO 54 -1.384 -23.828 3.750 376 H HIS 55 HN HIS 55 -4.151 -22.143 6.535 377 HA HIS 55 HA HIS 55 -6.521 -23.372 7.906 378 1HB HIS 55 HB2 HIS 55 -6.901 -20.892 8.511 379 2HB HIS 55 HB1 HIS 55 -5.512 -21.682 9.259 380 HD1 HIS 55 HD1 HIS 55 -3.144 -21.115 8.277 381 HD2 HIS 55 HD2 HIS 55 -6.249 -18.827 6.700 382 HE1 HIS 55 HE1 HIS 55 -2.059 -19.205 7.028 383 H TRP 56 HN TRP 56 -7.577 -24.033 5.923 384 HA TRP 56 HA TRP 56 -7.911 -22.467 3.601 385 1HB TRP 56 HB2 TRP 56 -8.503 -24.903 4.000 386 2HB TRP 56 HB1 TRP 56 -9.957 -24.342 4.826 387 HD1 TRP 56 HD1 TRP 56 -10.653 -21.934 2.875 388 HE1 TRP 56 HE1 TRP 56 -11.547 -22.357 0.567 389 HE3 TRP 56 HE3 TRP 56 -9.081 -26.722 2.247 390 HZ2 TRP 56 HZ2 TRP 56 -11.637 -24.462 -1.361 391 HZ3 TRP 56 HZ3 TRP 56 -9.592 -27.916 0.136 392 HH2 TRP 56 HH2 TRP 56 -10.869 -26.802 -1.664 393 H HIS 57 HN HIS 57 -8.991 -20.606 3.234 394 HA HIS 57 HA HIS 57 -11.183 -19.851 5.124 395 1HB HIS 57 HB2 HIS 57 -10.399 -17.462 4.432 396 2HB HIS 57 HB1 HIS 57 -9.385 -18.367 5.557 397 HD1 HIS 57 HD1 HIS 57 -9.598 -18.832 1.793 398 HD2 HIS 57 HD2 HIS 57 -6.844 -17.624 4.677 399 HE1 HIS 57 HE1 HIS 57 -7.387 -18.568 0.600 400 H GLN 58 HN GLN 58 -13.134 -19.489 4.163 401 HA GLN 58 HA GLN 58 -13.821 -20.145 1.562 402 1HB GLN 58 HB2 GLN 58 -14.918 -18.034 3.439 403 2HB GLN 58 HB1 GLN 58 -15.759 -18.551 1.977 404 1HG GLN 58 HG2 GLN 58 -14.935 -20.889 3.406 405 2HG GLN 58 HG1 GLN 58 -15.757 -19.812 4.536 406 1HE2 GLN 58 HE21 GLN 58 -16.299 -22.162 2.134 407 2HE2 GLN 58 HE22 GLN 58 -17.940 -21.839 1.845 408 H ARG 59 HN ARG 59 -12.851 -16.896 2.707 409 HA ARG 59 HA ARG 59 -13.174 -15.498 0.259 410 1HB ARG 59 HB2 ARG 59 -11.197 -15.182 2.540 411 2HB ARG 59 HB1 ARG 59 -11.511 -13.948 1.319 412 1HG ARG 59 HG2 ARG 59 -13.850 -15.113 2.776 413 2HG ARG 59 HG1 ARG 59 -12.831 -13.953 3.629 414 1HD ARG 59 HD2 ARG 59 -13.100 -12.600 1.326 415 2HD ARG 59 HD1 ARG 59 -14.615 -13.523 1.274 416 HE ARG 59 HE ARG 59 -14.316 -12.539 3.916 417 1HH1 ARG 59 HH11 ARG 59 -14.023 -10.948 0.930 418 2HH1 ARG 59 HH12 ARG 59 -15.192 -9.721 1.290 419 1HH2 ARG 59 HH21 ARG 59 -16.154 -11.149 4.300 420 2HH2 ARG 59 HH22 ARG 59 -16.399 -9.835 3.198 421 H THR 60 HN THR 60 -11.900 -15.348 -1.573 422 HA THR 60 HA THR 60 -9.106 -15.971 -1.739 423 HB THR 60 HB THR 60 -9.637 -18.239 -1.307 424 HG1 THR 60 HG1 THR 60 -9.412 -19.231 -3.366 425 1HG2 THR 60 HG21 THR 60 -11.791 -18.859 -1.402 426 2HG2 THR 60 HG22 THR 60 -11.623 -18.969 -3.153 427 3HG2 THR 60 HG23 THR 60 -12.183 -17.469 -2.414 428 H THR 61 HN THR 61 -8.585 -16.575 -4.167 429 HA THR 61 HA THR 61 -9.782 -14.528 -5.835 430 HB THR 61 HB THR 61 -8.351 -16.104 -7.517 431 HG1 THR 61 HG1 THR 61 -6.842 -17.218 -6.411 432 1HG2 THR 61 HG21 THR 61 -7.485 -14.003 -7.368 433 2HG2 THR 61 HG22 THR 61 -6.333 -14.780 -6.279 434 3HG2 THR 61 HG23 THR 61 -7.727 -13.921 -5.623 435 H GLU 62 HN GLU 62 -10.656 -17.718 -4.956 436 HA GLU 62 HA GLU 62 -11.875 -18.575 -7.400 437 1HB GLU 62 HB2 GLU 62 -11.261 -19.887 -5.255 438 2HB GLU 62 HB1 GLU 62 -12.768 -19.252 -4.593 439 1HG GLU 62 HG2 GLU 62 -13.600 -20.176 -7.034 440 2HG GLU 62 HG1 GLU 62 -12.346 -21.347 -6.626 441 H TYR 63 HN TYR 63 -12.826 -16.575 -4.705 442 HA TYR 63 HA TYR 63 -15.566 -16.277 -5.727 443 1HB TYR 63 HB2 TYR 63 -14.078 -15.849 -3.266 444 2HB TYR 63 HB1 TYR 63 -15.043 -14.428 -3.672 445 HD1 TYR 63 HD1 TYR 63 -17.203 -14.389 -2.817 446 HD2 TYR 63 HD2 TYR 63 -15.415 -18.166 -3.808 447 HE1 TYR 63 HE1 TYR 63 -19.253 -15.559 -2.058 448 HE2 TYR 63 HE2 TYR 63 -17.465 -19.337 -3.048 449 HH TYR 63 HH TYR 63 -19.585 -18.265 -1.125 450 H TYR 64 HN TYR 64 -12.516 -15.016 -6.389 451 HA TYR 64 HA TYR 64 -13.745 -12.625 -7.698 452 1HB TYR 64 HB2 TYR 64 -11.601 -12.757 -5.598 453 2HB TYR 64 HB1 TYR 64 -11.533 -11.476 -6.808 454 HD1 TYR 64 HD1 TYR 64 -13.798 -13.064 -4.295 455 HD2 TYR 64 HD2 TYR 64 -12.908 -9.566 -6.624 456 HE1 TYR 64 HE1 TYR 64 -15.542 -11.801 -3.064 457 HE2 TYR 64 HE2 TYR 64 -14.651 -8.303 -5.392 458 HH TYR 64 HH TYR 64 -16.647 -8.717 -4.096 459 HA PRO 65 HA PRO 65 -10.924 -14.910 -10.501 460 1HB PRO 65 HB2 PRO 65 -12.447 -14.485 -12.736 461 2HB PRO 65 HB1 PRO 65 -12.740 -15.824 -11.606 462 1HG PRO 65 HG2 PRO 65 -14.144 -13.210 -11.845 463 2HG PRO 65 HG1 PRO 65 -14.802 -14.819 -11.509 464 1HD PRO 65 HD2 PRO 65 -14.392 -12.936 -9.584 465 2HD PRO 65 HD1 PRO 65 -14.341 -14.684 -9.270 466 H ASN 66 HN ASN 66 -12.351 -11.709 -10.586 467 HA ASN 66 HA ASN 66 -9.991 -10.758 -12.178 468 1HB ASN 66 HB2 ASN 66 -12.924 -10.407 -12.494 469 2HB ASN 66 HB1 ASN 66 -11.947 -8.963 -12.760 470 1HD2 ASN 66 HD21 ASN 66 -10.564 -8.908 -14.625 471 2HD2 ASN 66 HD22 ASN 66 -10.569 -10.129 -15.804 472 H GLY 67 HN GLY 67 -9.755 -10.758 -9.450 473 1HA GLY 67 HA2 GLY 67 -10.544 -8.022 -8.560 474 2HA GLY 67 HA1 GLY 67 -10.092 -9.343 -7.481 475 H GLY 68 HN GLY 68 -7.925 -9.686 -9.847 476 1HA GLY 68 HA2 GLY 68 -5.767 -8.773 -10.282 477 2HA GLY 68 HA1 GLY 68 -6.104 -7.491 -9.114 478 H LEU 69 HN LEU 69 -6.905 -10.609 -8.016 479 HA LEU 69 HA LEU 69 -4.715 -10.520 -6.045 480 1HB LEU 69 HB2 LEU 69 -7.194 -12.205 -6.472 481 2HB LEU 69 HB1 LEU 69 -6.089 -12.446 -5.119 482 HG LEU 69 HG LEU 69 -7.662 -9.946 -5.765 483 1HD1 LEU 69 HD11 LEU 69 -9.084 -10.597 -4.120 484 2HD1 LEU 69 HD12 LEU 69 -7.763 -11.112 -3.070 485 3HD1 LEU 69 HD13 LEU 69 -8.370 -12.197 -4.322 486 1HD2 LEU 69 HD21 LEU 69 -6.479 -9.517 -3.329 487 2HD2 LEU 69 HD22 LEU 69 -5.863 -8.887 -4.857 488 3HD2 LEU 69 HD23 LEU 69 -5.204 -10.380 -4.190 489 H THR 70 HN THR 70 -3.352 -10.963 -8.217 490 HA THR 70 HA THR 70 -3.280 -13.730 -9.137 491 HB THR 70 HB THR 70 -1.407 -11.356 -9.402 492 HG1 THR 70 HG1 THR 70 -2.968 -12.464 -11.442 493 1HG2 THR 70 HG21 THR 70 -0.260 -13.556 -9.708 494 2HG2 THR 70 HG22 THR 70 -0.314 -12.594 -11.185 495 3HG2 THR 70 HG23 THR 70 -1.426 -13.946 -10.973 496 H ARG 71 HN ARG 71 -2.232 -15.394 -8.109 497 HA ARG 71 HA ARG 71 -0.815 -16.524 -6.587 498 1HB ARG 71 HB2 ARG 71 0.667 -14.993 -8.191 499 2HB ARG 71 HB1 ARG 71 1.006 -14.149 -6.680 500 1HG ARG 71 HG2 ARG 71 1.313 -16.718 -5.864 501 2HG ARG 71 HG1 ARG 71 1.818 -16.864 -7.549 502 1HD ARG 71 HD2 ARG 71 3.338 -14.857 -7.156 503 2HD ARG 71 HD1 ARG 71 2.982 -15.037 -5.427 504 HE ARG 71 HE ARG 71 4.210 -17.075 -5.420 505 1HH1 ARG 71 HH11 ARG 71 5.155 -15.379 -8.038 506 2HH1 ARG 71 HH12 ARG 71 5.538 -16.729 -9.053 507 1HH2 ARG 71 HH21 ARG 71 4.040 -19.060 -6.968 508 2HH2 ARG 71 HH22 ARG 71 4.906 -18.814 -8.447 509 H ASN 72 HN ASN 72 1.031 -14.858 -4.807 510 HA ASN 72 HA ASN 72 -0.946 -14.333 -2.688 511 1HB ASN 72 HB2 ASN 72 0.847 -15.761 -2.051 512 2HB ASN 72 HB1 ASN 72 2.041 -14.757 -2.876 513 1HD2 ASN 72 HD21 ASN 72 -0.449 -13.123 -1.078 514 2HD2 ASN 72 HD22 ASN 72 0.535 -12.646 0.211 515 H TYR 73 HN TYR 73 -1.499 -12.316 -4.153 516 HA TYR 73 HA TYR 73 0.442 -10.087 -3.645 517 1HB TYR 73 HB2 TYR 73 -1.847 -10.514 -5.592 518 2HB TYR 73 HB1 TYR 73 -0.993 -8.981 -5.436 519 HD1 TYR 73 HD1 TYR 73 -0.867 -9.985 -8.039 520 HD2 TYR 73 HD2 TYR 73 1.464 -11.257 -4.660 521 HE1 TYR 73 HE1 TYR 73 0.900 -10.815 -9.568 522 HE2 TYR 73 HE2 TYR 73 3.229 -12.085 -6.191 523 HH TYR 73 HH TYR 73 3.857 -11.305 -8.866 524 H CYS 74 HN CYS 74 -0.123 -8.554 -2.174 525 HA CYS 74 HA CYS 74 -2.498 -8.736 -0.551 526 1HB CYS 74 HB2 CYS 74 -0.186 -7.821 0.003 527 2HB CYS 74 HB1 CYS 74 -0.618 -6.389 -0.930 528 H ARG 75 HN ARG 75 -4.314 -7.324 -0.530 529 HA ARG 75 HA ARG 75 -4.595 -5.242 -2.595 530 1HB ARG 75 HB2 ARG 75 -5.418 -7.983 -2.968 531 2HB ARG 75 HB1 ARG 75 -6.840 -6.939 -2.961 532 1HG ARG 75 HG2 ARG 75 -4.816 -5.611 -4.464 533 2HG ARG 75 HG1 ARG 75 -4.898 -7.276 -5.041 534 1HD ARG 75 HD2 ARG 75 -7.454 -6.956 -5.123 535 2HD ARG 75 HD1 ARG 75 -7.118 -5.221 -4.957 536 HE ARG 75 HE ARG 75 -6.112 -6.929 -7.197 537 1HH1 ARG 75 HH11 ARG 75 -8.035 -4.325 -6.669 538 2HH1 ARG 75 HH12 ARG 75 -7.168 -3.212 -7.673 539 1HH2 ARG 75 HH21 ARG 75 -4.440 -5.310 -8.099 540 2HH2 ARG 75 HH22 ARG 75 -5.133 -3.770 -8.484 541 H ASN 76 HN ASN 76 -6.637 -4.022 -2.269 542 HA ASN 76 HA ASN 76 -7.857 -4.513 0.428 543 1HB ASN 76 HB2 ASN 76 -6.127 -2.592 0.037 544 2HB ASN 76 HB1 ASN 76 -7.461 -1.788 -0.789 545 1HD2 ASN 76 HD21 ASN 76 -7.475 -0.164 0.998 546 2HD2 ASN 76 HD22 ASN 76 -8.194 -0.555 2.485 547 HA PRO 77 HA PRO 77 -11.166 -4.210 -2.780 548 1HB PRO 77 HB2 PRO 77 -12.446 -6.524 -2.090 549 2HB PRO 77 HB1 PRO 77 -11.103 -6.472 -3.249 550 1HG PRO 77 HG2 PRO 77 -11.123 -7.333 -0.413 551 2HG PRO 77 HG1 PRO 77 -10.166 -7.936 -1.774 552 1HD PRO 77 HD2 PRO 77 -9.236 -6.225 0.193 553 2HD PRO 77 HD1 PRO 77 -8.498 -6.441 -1.408 554 H ASP 78 HN ASP 78 -10.851 -3.713 0.423 555 HA ASP 78 HA ASP 78 -13.797 -3.576 0.954 556 1HB ASP 78 HB2 ASP 78 -11.901 -4.885 2.344 557 2HB ASP 78 HB1 ASP 78 -11.746 -3.301 3.104 558 H ALA 79 HN ALA 79 -11.088 -1.689 0.210 559 HA ALA 79 HA ALA 79 -10.855 0.665 0.092 560 1HB ALA 79 HB1 ALA 79 -13.343 1.438 1.314 561 2HB ALA 79 HB2 ALA 79 -13.633 0.067 0.243 562 3HB ALA 79 HB3 ALA 79 -12.882 1.534 -0.385 563 H GLU 80 HN GLU 80 -10.117 -0.921 2.505 564 HA GLU 80 HA GLU 80 -10.732 0.839 4.796 565 1HB GLU 80 HB2 GLU 80 -10.100 -1.851 4.370 566 2HB GLU 80 HB1 GLU 80 -8.657 -1.189 5.139 567 1HG GLU 80 HG2 GLU 80 -9.988 -1.801 6.977 568 2HG GLU 80 HG1 GLU 80 -10.338 -0.081 6.797 569 H ILE 81 HN ILE 81 -8.552 1.245 6.205 570 HA ILE 81 HA ILE 81 -7.080 3.326 5.139 571 HB ILE 81 HB ILE 81 -5.305 2.593 6.784 572 1HG1 ILE 81 HG12 ILE 81 -6.418 0.541 8.169 573 2HG1 ILE 81 HG11 ILE 81 -6.884 0.100 6.526 574 1HG2 ILE 81 HG21 ILE 81 -8.145 3.055 7.304 575 2HG2 ILE 81 HG22 ILE 81 -6.728 3.773 8.072 576 3HG2 ILE 81 HG23 ILE 81 -7.332 2.210 8.620 577 1HD1 ILE 81 HD11 ILE 81 -4.376 -0.297 7.729 578 2HD1 ILE 81 HD12 ILE 81 -4.145 1.029 6.589 579 3HD1 ILE 81 HD13 ILE 81 -4.781 -0.517 6.027 580 H SER 82 HN SER 82 -6.419 -0.138 4.752 581 HA SER 82 HA SER 82 -4.891 0.371 2.299 582 1HB SER 82 HB2 SER 82 -3.595 0.387 4.791 583 2HB SER 82 HB1 SER 82 -3.260 -1.209 4.124 584 HG SER 82 HG SER 82 -3.065 0.979 2.409 585 HA PRO 83 HA PRO 83 -6.008 -3.790 1.483 586 1HB PRO 83 HB2 PRO 83 -3.762 -4.981 0.488 587 2HB PRO 83 HB1 PRO 83 -4.674 -3.747 -0.404 588 1HG PRO 83 HG2 PRO 83 -2.137 -3.495 1.114 589 2HG PRO 83 HG1 PRO 83 -2.647 -2.688 -0.376 590 1HD PRO 83 HD2 PRO 83 -2.675 -1.522 2.119 591 2HD PRO 83 HD1 PRO 83 -3.678 -0.998 0.750 592 H TRP 84 HN TRP 84 -5.814 -6.042 2.154 593 HA TRP 84 HA TRP 84 -4.044 -6.451 4.544 594 1HB TRP 84 HB2 TRP 84 -6.057 -7.934 5.291 595 2HB TRP 84 HB1 TRP 84 -6.213 -6.186 5.441 596 HD1 TRP 84 HD1 TRP 84 -7.515 -4.940 3.341 597 HE1 TRP 84 HE1 TRP 84 -9.538 -5.776 1.982 598 HE3 TRP 84 HE3 TRP 84 -7.274 -9.934 4.382 599 HZ2 TRP 84 HZ2 TRP 84 -10.879 -8.238 1.412 600 HZ3 TRP 84 HZ3 TRP 84 -8.936 -11.500 3.419 601 HH2 TRP 84 HH2 TRP 84 -10.736 -10.659 1.937 602 H CYS 85 HN CYS 85 -4.131 -9.073 4.988 603 HA CYS 85 HA CYS 85 -4.370 -10.682 2.573 604 1HB CYS 85 HB2 CYS 85 -2.281 -9.012 2.523 605 2HB CYS 85 HB1 CYS 85 -1.540 -10.317 3.450 606 H TYR 86 HN TYR 86 -4.295 -12.870 3.097 607 HA TYR 86 HA TYR 86 -4.364 -13.695 5.843 608 1HB TYR 86 HB2 TYR 86 -3.748 -15.402 3.418 609 2HB TYR 86 HB1 TYR 86 -4.603 -15.883 4.884 610 HD1 TYR 86 HD1 TYR 86 -5.178 -15.306 1.583 611 HD2 TYR 86 HD2 TYR 86 -6.579 -13.932 5.404 612 HE1 TYR 86 HE1 TYR 86 -7.330 -14.632 0.553 613 HE2 TYR 86 HE2 TYR 86 -8.730 -13.257 4.374 614 HH TYR 86 HH TYR 86 -9.840 -12.979 2.455 615 H THR 87 HN THR 87 -2.743 -15.715 6.378 616 HA THR 87 HA THR 87 0.038 -14.697 5.863 617 HB THR 87 HB THR 87 0.209 -16.199 8.133 618 HG1 THR 87 HG1 THR 87 -1.789 -16.587 8.642 619 1HG2 THR 87 HG21 THR 87 0.640 -14.200 9.181 620 2HG2 THR 87 HG22 THR 87 -0.754 -13.396 8.459 621 3HG2 THR 87 HG23 THR 87 0.704 -13.661 7.503 622 H MET 88 HN MET 88 1.459 -16.167 4.976 623 HA MET 88 HA MET 88 0.572 -18.704 3.968 624 1HB MET 88 HB2 MET 88 2.887 -18.901 3.283 625 2HB MET 88 HB1 MET 88 2.422 -17.207 3.121 626 1HG MET 88 HG2 MET 88 4.007 -16.585 4.588 627 2HG MET 88 HG1 MET 88 3.373 -17.697 5.799 628 1HE MET 88 HE1 MET 88 6.977 -18.596 6.074 629 2HE MET 88 HE2 MET 88 5.696 -17.470 6.518 630 3HE MET 88 HE3 MET 88 6.787 -17.075 5.191 631 H ASP 89 HN ASP 89 1.280 -17.839 7.168 632 HA ASP 89 HA ASP 89 2.299 -20.561 7.824 633 1HB ASP 89 HB2 ASP 89 2.717 -17.818 8.779 634 2HB ASP 89 HB1 ASP 89 2.420 -18.960 10.091 635 HA PRO 90 HA PRO 90 -1.652 -21.471 9.532 636 1HB PRO 90 HB2 PRO 90 -0.893 -23.585 11.101 637 2HB PRO 90 HB1 PRO 90 -1.043 -23.695 9.336 638 1HG PRO 90 HG2 PRO 90 1.394 -23.389 11.013 639 2HG PRO 90 HG1 PRO 90 1.154 -24.324 9.528 640 1HD PRO 90 HD2 PRO 90 2.410 -21.889 9.611 641 2HD PRO 90 HD1 PRO 90 1.576 -22.525 8.176 642 H ASN 91 HN ASN 91 0.878 -20.057 11.164 643 HA ASN 91 HA ASN 91 -0.308 -20.238 13.873 644 1HB ASN 91 HB2 ASN 91 2.241 -19.536 12.596 645 2HB ASN 91 HB1 ASN 91 1.792 -18.417 13.884 646 1HD2 ASN 91 HD21 ASN 91 3.330 -21.369 13.317 647 2HD2 ASN 91 HD22 ASN 91 3.220 -22.019 14.881 648 H VAL 92 HN VAL 92 -0.601 -18.347 11.063 649 HA VAL 92 HA VAL 92 -1.818 -16.114 12.645 650 HB VAL 92 HB VAL 92 -0.172 -16.025 10.086 651 1HG1 VAL 92 HG11 VAL 92 -1.678 -13.953 11.684 652 2HG1 VAL 92 HG12 VAL 92 -1.663 -14.206 9.939 653 3HG1 VAL 92 HG13 VAL 92 -0.262 -13.495 10.739 654 1HG2 VAL 92 HG21 VAL 92 0.837 -14.506 12.341 655 2HG2 VAL 92 HG22 VAL 92 1.636 -15.777 11.416 656 3HG2 VAL 92 HG23 VAL 92 0.621 -16.196 12.796 657 H ARG 93 HN ARG 93 -3.881 -15.563 11.947 658 HA ARG 93 HA ARG 93 -5.152 -17.174 9.896 659 1HB ARG 93 HB2 ARG 93 -5.874 -15.151 11.952 660 2HB ARG 93 HB1 ARG 93 -6.971 -15.290 10.578 661 1HG ARG 93 HG2 ARG 93 -6.032 -17.692 12.160 662 2HG ARG 93 HG1 ARG 93 -7.499 -16.800 12.565 663 1HD ARG 93 HD2 ARG 93 -8.503 -17.314 10.434 664 2HD ARG 93 HD1 ARG 93 -6.977 -17.977 9.814 665 HE ARG 93 HE ARG 93 -7.397 -19.469 12.084 666 1HH1 ARG 93 HH11 ARG 93 -10.307 -18.575 11.199 667 2HH1 ARG 93 HH12 ARG 93 -10.820 -20.043 10.436 668 1HH2 ARG 93 HH21 ARG 93 -7.633 -21.403 10.308 669 2HH2 ARG 93 HH22 ARG 93 -9.306 -21.645 9.933 670 H TRP 94 HN TRP 94 -4.756 -13.653 10.353 671 HA TRP 94 HA TRP 94 -3.996 -13.256 7.553 672 1HB TRP 94 HB2 TRP 94 -5.992 -12.032 6.934 673 2HB TRP 94 HB1 TRP 94 -6.516 -13.575 7.609 674 HD1 TRP 94 HD1 TRP 94 -7.814 -13.561 9.870 675 HE1 TRP 94 HE1 TRP 94 -8.817 -11.684 11.325 676 HE3 TRP 94 HE3 TRP 94 -5.610 -9.495 7.705 677 HZ2 TRP 94 HZ2 TRP 94 -8.700 -8.832 11.539 678 HZ3 TRP 94 HZ3 TRP 94 -6.072 -7.213 8.553 679 HH2 TRP 94 HH2 TRP 94 -7.613 -6.876 10.466 680 H GLU 95 HN GLU 95 -3.694 -10.798 7.162 681 HA GLU 95 HA GLU 95 -3.601 -9.101 9.556 682 1HB GLU 95 HB2 GLU 95 -1.234 -10.579 8.477 683 2HB GLU 95 HB1 GLU 95 -0.978 -8.947 9.097 684 1HG GLU 95 HG2 GLU 95 -2.514 -9.936 11.084 685 2HG GLU 95 HG1 GLU 95 -1.736 -11.427 10.550 686 H TYR 96 HN TYR 96 -2.941 -6.904 9.023 687 HA TYR 96 HA TYR 96 -3.653 -6.099 6.328 688 1HB TYR 96 HB2 TYR 96 -2.936 -4.897 8.940 689 2HB TYR 96 HB1 TYR 96 -2.581 -3.897 7.530 690 HD1 TYR 96 HD1 TYR 96 -5.000 -4.427 9.906 691 HD2 TYR 96 HD2 TYR 96 -4.597 -4.223 5.634 692 HE1 TYR 96 HE1 TYR 96 -7.405 -3.854 9.706 693 HE2 TYR 96 HE2 TYR 96 -7.001 -3.649 5.435 694 HH TYR 96 HH TYR 96 -9.185 -4.213 7.322 695 H CYS 97 HN CYS 97 -2.140 -4.657 5.027 696 HA CYS 97 HA CYS 97 0.562 -5.902 4.944 697 1HB CYS 97 HB2 CYS 97 -1.272 -4.453 3.060 698 2HB CYS 97 HB1 CYS 97 0.453 -4.519 2.695 699 H ASN 98 HN ASN 98 2.397 -4.724 5.377 700 HA ASN 98 HA ASN 98 2.384 -2.337 6.865 701 1HB ASN 98 HB2 ASN 98 4.338 -3.826 5.152 702 2HB ASN 98 HB1 ASN 98 4.801 -2.233 5.750 703 1HD2 ASN 98 HD21 ASN 98 5.780 -5.008 6.569 704 2HD2 ASN 98 HD22 ASN 98 5.554 -5.060 8.251 705 H LEU 99 HN LEU 99 0.831 -0.916 5.722 706 HA LEU 99 HA LEU 99 2.164 0.580 3.501 707 1HB LEU 99 HB2 LEU 99 -0.662 -0.511 3.625 708 2HB LEU 99 HB1 LEU 99 -0.101 0.624 2.396 709 HG LEU 99 HG LEU 99 1.291 -2.005 2.928 710 1HD1 LEU 99 HD11 LEU 99 0.080 -2.730 0.803 711 2HD1 LEU 99 HD12 LEU 99 -0.985 -1.346 1.045 712 3HD1 LEU 99 HD13 LEU 99 -0.919 -2.631 2.253 713 1HD2 LEU 99 HD21 LEU 99 2.183 -1.585 0.658 714 2HD2 LEU 99 HD22 LEU 99 2.573 -0.257 1.751 715 3HD2 LEU 99 HD23 LEU 99 1.265 -0.081 0.581 716 H THR 100 HN THR 100 1.939 2.782 3.696 717 HA THR 100 HA THR 100 0.154 3.810 5.869 718 HB THR 100 HB THR 100 1.807 5.564 6.098 719 HG1 THR 100 HG1 THR 100 3.633 5.540 4.699 720 1HG2 THR 100 HG21 THR 100 2.235 3.176 6.999 721 2HG2 THR 100 HG22 THR 100 3.600 4.291 6.952 722 3HG2 THR 100 HG23 THR 100 3.428 3.056 5.705 723 H GLN 101 HN GLN 101 -0.870 5.915 5.393 724 HA GLN 101 HA GLN 101 -1.961 6.068 2.718 725 1HB GLN 101 HB2 GLN 101 -2.826 6.839 5.088 726 2HB GLN 101 HB1 GLN 101 -1.979 8.336 4.693 727 1HG GLN 101 HG2 GLN 101 -3.243 8.402 2.522 728 2HG GLN 101 HG1 GLN 101 -4.178 7.015 3.079 729 1HE2 GLN 101 HE21 GLN 101 -6.173 8.296 3.155 730 2HE2 GLN 101 HE22 GLN 101 -6.423 9.457 4.368 731 H CYS 102 HN CYS 102 -0.077 6.317 1.302 732 HA CYS 102 HA CYS 102 2.036 8.072 1.508 733 1HB CYS 102 HB2 CYS 102 0.621 6.631 -0.521 734 2HB CYS 102 HB1 CYS 102 1.044 8.221 -1.159 735 HA PRO 103 HA PRO 103 -0.384 11.866 1.801 736 1HB PRO 103 HB2 PRO 103 1.676 13.377 2.784 737 2HB PRO 103 HB1 PRO 103 0.693 12.305 3.801 738 1HG PRO 103 HG2 PRO 103 3.409 11.876 2.670 739 2HG PRO 103 HG1 PRO 103 2.752 11.402 4.244 740 1HD PRO 103 HD2 PRO 103 3.058 9.682 2.139 741 2HD PRO 103 HD1 PRO 103 1.856 9.465 3.430 742 H VAL 104 HN VAL 104 -0.414 13.712 0.435 743 HA VAL 104 HA VAL 104 1.005 13.542 -2.059 744 HB VAL 104 HB VAL 104 -1.264 14.622 -1.349 745 1HG1 VAL 104 HG11 VAL 104 0.384 16.246 0.132 746 2HG1 VAL 104 HG12 VAL 104 -1.268 16.649 -0.335 747 3HG1 VAL 104 HG13 VAL 104 0.088 17.233 -1.300 748 1HG2 VAL 104 HG21 VAL 104 0.374 14.885 -3.568 749 2HG2 VAL 104 HG22 VAL 104 0.000 16.555 -3.144 750 3HG2 VAL 104 HG23 VAL 104 -1.305 15.413 -3.466 751 H THR 105 HN THR 105 1.853 16.139 -2.585 752 HA THR 105 HA THR 105 4.233 16.400 -0.782 753 HB THR 105 HB THR 105 4.457 15.685 -3.225 754 HG1 THR 105 HG1 THR 105 5.673 18.060 -2.276 755 1HG2 THR 105 HG21 THR 105 3.913 18.596 -3.802 756 2HG2 THR 105 HG22 THR 105 2.646 17.375 -3.922 757 3HG2 THR 105 HG23 THR 105 4.077 17.266 -4.949 758 H GLU 106 HN GLU 106 4.292 18.273 0.398 759 HA GLU 106 HA GLU 106 3.708 20.447 1.134 760 1HB GLU 106 HB2 GLU 106 4.961 20.490 -1.272 761 2HB GLU 106 HB1 GLU 106 3.456 21.303 -1.702 762 1HG GLU 106 HG2 GLU 106 4.413 23.177 -0.871 763 2HG GLU 106 HG1 GLU 106 4.121 22.472 0.719 764 H SER 107 HN SER 107 1.532 19.693 1.832 765 HA SER 107 HA SER 107 -0.751 19.909 0.036 766 1HB SER 107 HB2 SER 107 -1.955 19.650 2.269 767 2HB SER 107 HB1 SER 107 -0.797 18.378 1.890 768 HG SER 107 HG SER 107 -0.493 20.600 3.622 769 H SER 108 HN SER 108 -1.534 21.873 -0.627 770 HA SER 108 HA SER 108 -1.892 24.037 1.361 771 1HB SER 108 HB2 SER 108 -0.403 24.590 -1.204 772 2HB SER 108 HB1 SER 108 -0.467 25.570 0.258 773 HG SER 108 HG SER 108 1.415 23.978 -0.314 774 H VAL 109 HN VAL 109 -2.940 25.998 0.124 775 HA VAL 109 HA VAL 109 -4.583 25.109 -2.198 776 HB VAL 109 HB VAL 109 -6.610 25.936 -0.948 777 1HG1 VAL 109 HG11 VAL 109 -6.717 23.964 0.600 778 2HG1 VAL 109 HG12 VAL 109 -5.002 23.686 0.296 779 3HG1 VAL 109 HG13 VAL 109 -6.165 23.547 -1.023 780 1HG2 VAL 109 HG21 VAL 109 -4.552 26.801 0.863 781 2HG2 VAL 109 HG22 VAL 109 -5.612 25.671 1.705 782 3HG2 VAL 109 HG23 VAL 109 -6.285 27.114 0.945 783 H LEU 110 HN LEU 110 -6.310 27.382 -2.113 784 HA LEU 110 HA LEU 110 -4.494 29.440 -3.148 785 1HB LEU 110 HB2 LEU 110 -6.596 30.505 -3.794 786 2HB LEU 110 HB1 LEU 110 -6.703 28.779 -4.143 787 HG LEU 110 HG LEU 110 -7.551 29.053 -1.475 788 1HD1 LEU 110 HD11 LEU 110 -7.765 31.549 -2.371 789 2HD1 LEU 110 HD12 LEU 110 -9.020 30.840 -1.355 790 3HD1 LEU 110 HD13 LEU 110 -9.238 30.913 -3.103 791 1HD2 LEU 110 HD21 LEU 110 -8.902 28.570 -4.128 792 2HD2 LEU 110 HD22 LEU 110 -9.834 28.588 -2.631 793 3HD2 LEU 110 HD23 LEU 110 -8.540 27.410 -2.850 794 H ALA 111 HN ALA 111 -5.540 31.819 -2.411 795 HA ALA 111 HA ALA 111 -5.380 31.848 0.587 796 1HB ALA 111 HB1 ALA 111 -4.050 33.503 -1.557 797 2HB ALA 111 HB2 ALA 111 -3.304 32.655 -0.203 798 3HB ALA 111 HB3 ALA 111 -4.230 34.129 0.081 799 H THR 112 HN THR 112 -6.093 34.194 -2.035 800 HA THR 112 HA THR 112 -8.793 34.634 -0.850 801 HB THR 112 HB THR 112 -8.066 37.183 -1.200 802 HG1 THR 112 HG1 THR 112 -6.022 37.336 -1.558 803 1HG2 THR 112 HG21 THR 112 -8.487 35.543 0.951 804 2HG2 THR 112 HG22 THR 112 -8.128 37.266 1.069 805 3HG2 THR 112 HG23 THR 112 -6.833 36.082 1.241 806 H SER 113 HN SER 113 -10.238 34.660 -2.518 807 HA SER 113 HA SER 113 -9.377 34.743 -5.293 808 1HB SER 113 HB2 SER 113 -11.871 34.628 -5.639 809 2HB SER 113 HB1 SER 113 -11.251 33.390 -4.551 810 HG SER 113 HG SER 113 -12.617 34.181 -3.173 811 H THR 114 HN THR 114 -11.977 36.748 -3.906 812 HA THR 114 HA THR 114 -10.692 39.152 -5.157 813 HB THR 114 HB THR 114 -13.537 38.122 -5.309 814 HG1 THR 114 HG1 THR 114 -12.491 37.323 -6.984 815 1HG2 THR 114 HG21 THR 114 -13.745 40.298 -6.771 816 2HG2 THR 114 HG22 THR 114 -12.409 40.865 -5.769 817 3HG2 THR 114 HG23 THR 114 -13.937 40.400 -5.021 818 H ALA 115 HN ALA 115 -13.470 38.243 -3.067 819 HA ALA 115 HA ALA 115 -12.519 40.236 -1.058 820 1HB ALA 115 HB1 ALA 115 -14.075 41.417 -2.499 821 2HB ALA 115 HB2 ALA 115 -14.897 41.084 -0.975 822 3HB ALA 115 HB3 ALA 115 -15.239 40.096 -2.395 823 H VAL 116 HN VAL 116 -15.378 38.139 -1.620 824 HA VAL 116 HA VAL 116 -15.549 37.372 1.175 825 HB VAL 116 HB VAL 116 -17.416 36.078 0.395 826 1HG1 VAL 116 HG11 VAL 116 -17.055 38.762 -0.297 827 2HG1 VAL 116 HG12 VAL 116 -18.590 37.895 -0.250 828 3HG1 VAL 116 HG13 VAL 116 -17.693 38.017 -1.763 829 1HG2 VAL 116 HG21 VAL 116 -17.613 35.896 -2.231 830 2HG2 VAL 116 HG22 VAL 116 -16.627 34.733 -1.345 831 3HG2 VAL 116 HG23 VAL 116 -15.860 36.086 -2.176 832 H SER 117 HN SER 117 -15.702 34.832 1.572 833 HA SER 117 HA SER 117 -13.058 33.722 0.828 834 1HB SER 117 HB2 SER 117 -14.576 33.798 3.120 835 2HB SER 117 HB1 SER 117 -14.916 32.177 2.522 836 HG SER 117 HG SER 117 -12.436 32.276 2.195 837 H GLU 118 HN GLU 118 -12.859 32.181 -0.757 838 HA GLU 118 HA GLU 118 -15.237 31.187 -2.153 839 1HB GLU 118 HB2 GLU 118 -12.883 31.882 -3.037 840 2HB GLU 118 HB1 GLU 118 -12.389 30.266 -2.531 841 1HG GLU 118 HG2 GLU 118 -14.685 29.680 -3.869 842 2HG GLU 118 HG1 GLU 118 -14.135 31.089 -4.777 843 H GLN 119 HN GLN 119 -15.964 30.082 0.000 844 HA GLN 119 HA GLN 119 -14.555 27.743 0.944 845 1HB GLN 119 HB2 GLN 119 -16.928 29.281 1.488 846 2HB GLN 119 HB1 GLN 119 -17.345 27.567 1.460 847 1HG GLN 119 HG2 GLN 119 -14.846 27.894 2.838 848 2HG GLN 119 HG1 GLN 119 -16.035 28.995 3.536 849 1HE2 GLN 119 HE21 GLN 119 -15.082 25.660 3.295 850 2HE2 GLN 119 HE22 GLN 119 -16.375 25.012 4.183 Start of MODEL 5 1 1H ALA 1 HT1 ALA 1 42.096 2.752 2.796 2 2H ALA 1 HT2 ALA 1 42.863 3.302 1.383 3 3H ALA 1 HT3 ALA 1 42.300 1.701 1.481 4 HA ALA 1 HA ALA 1 40.919 3.561 0.236 5 1HB ALA 1 HB1 ALA 1 38.921 2.070 1.147 6 2HB ALA 1 HB2 ALA 1 40.231 1.165 1.906 7 3HB ALA 1 HB3 ALA 1 40.188 1.350 0.153 8 H ARG 2 HN ARG 2 40.227 2.824 3.682 9 HA ARG 2 HA ARG 2 38.866 5.490 3.873 10 1HB ARG 2 HB2 ARG 2 37.591 4.424 5.682 11 2HB ARG 2 HB1 ARG 2 37.520 3.418 4.234 12 1HG ARG 2 HG2 ARG 2 38.963 1.812 5.112 13 2HG ARG 2 HG1 ARG 2 39.703 2.948 6.241 14 1HD ARG 2 HD2 ARG 2 38.173 1.295 7.371 15 2HD ARG 2 HD1 ARG 2 37.649 2.976 7.598 16 HE ARG 2 HE ARG 2 36.411 2.186 5.236 17 1HH1 ARG 2 HH11 ARG 2 36.813 0.045 7.778 18 2HH1 ARG 2 HH12 ARG 2 35.124 -0.205 8.072 19 1HH2 ARG 2 HH21 ARG 2 34.106 2.307 5.908 20 2HH2 ARG 2 HH22 ARG 2 33.591 1.076 7.012 21 H ILE 3 HN ILE 3 41.695 5.414 4.079 22 HA ILE 3 HA ILE 3 42.120 5.791 7.027 23 HB ILE 3 HB ILE 3 43.293 3.884 5.797 24 1HG1 ILE 3 HG12 ILE 3 45.145 5.989 6.952 25 2HG1 ILE 3 HG11 ILE 3 44.096 4.972 7.940 26 1HG2 ILE 3 HG21 ILE 3 45.084 4.413 4.294 27 2HG2 ILE 3 HG22 ILE 3 44.957 6.136 4.647 28 3HG2 ILE 3 HG23 ILE 3 43.683 5.327 3.734 29 1HD1 ILE 3 HD11 ILE 3 46.653 4.304 7.192 30 2HD1 ILE 3 HD12 ILE 3 45.691 3.482 5.963 31 3HD1 ILE 3 HD13 ILE 3 45.415 3.144 7.672 32 H HIS 4 HN HIS 4 42.127 7.274 3.922 33 HA HIS 4 HA HIS 4 43.675 9.609 5.000 34 1HB HIS 4 HB2 HIS 4 44.316 10.019 2.708 35 2HB HIS 4 HB1 HIS 4 44.557 8.298 3.012 36 HD1 HIS 4 HD1 HIS 4 43.003 6.638 1.806 37 HD2 HIS 4 HD2 HIS 4 42.085 10.624 1.006 38 HE1 HIS 4 HE1 HIS 4 41.355 6.621 -0.117 39 H HIS 5 HN HIS 5 40.671 8.535 3.534 40 HA HIS 5 HA HIS 5 39.272 10.937 4.334 41 1HB HIS 5 HB2 HIS 5 40.814 11.421 2.226 42 2HB HIS 5 HB1 HIS 5 39.478 10.668 1.355 43 HD1 HIS 5 HD1 HIS 5 37.727 12.283 0.650 44 HD2 HIS 5 HD2 HIS 5 39.664 13.558 4.114 45 HE1 HIS 5 HE1 HIS 5 36.705 14.518 1.260 46 H HIS 6 HN HIS 6 37.168 10.293 4.596 47 HA HIS 6 HA HIS 6 36.155 8.047 2.880 48 1HB HIS 6 HB2 HIS 6 34.821 7.482 4.979 49 2HB HIS 6 HB1 HIS 6 36.564 7.251 5.116 50 HD1 HIS 6 HD1 HIS 6 34.158 10.176 5.670 51 HD2 HIS 6 HD2 HIS 6 37.495 8.404 7.433 52 HE1 HIS 6 HE1 HIS 6 34.660 11.516 7.760 53 H HIS 7 HN HIS 7 35.803 10.728 2.097 54 HA HIS 7 HA HIS 7 33.217 11.721 3.066 55 1HB HIS 7 HB2 HIS 7 35.309 13.006 2.228 56 2HB HIS 7 HB1 HIS 7 34.736 12.604 0.609 57 HD1 HIS 7 HD1 HIS 7 32.363 13.354 3.433 58 HD2 HIS 7 HD2 HIS 7 33.852 15.235 0.023 59 HE1 HIS 7 HE1 HIS 7 30.967 15.440 3.098 60 H HIS 8 HN HIS 8 34.456 10.110 0.132 61 HA HIS 8 HA HIS 8 33.281 9.203 -1.720 62 1HB HIS 8 HB2 HIS 8 32.304 8.294 0.807 63 2HB HIS 8 HB1 HIS 8 30.921 8.439 -0.279 64 HD1 HIS 8 HD1 HIS 8 34.247 6.683 0.053 65 HD2 HIS 8 HD2 HIS 8 30.874 6.576 -2.394 66 HE1 HIS 8 HE1 HIS 8 34.484 4.625 -1.404 67 H HIS 9 HN HIS 9 30.705 9.119 -2.511 68 HA HIS 9 HA HIS 9 29.233 11.584 -1.975 69 1HB HIS 9 HB2 HIS 9 31.247 12.258 -3.361 70 2HB HIS 9 HB1 HIS 9 30.601 11.259 -4.662 71 HD1 HIS 9 HD1 HIS 9 29.884 14.398 -2.704 72 HD2 HIS 9 HD2 HIS 9 28.358 12.351 -5.999 73 HE1 HIS 9 HE1 HIS 9 28.219 15.956 -3.805 74 H ILE 10 HN ILE 10 28.177 9.125 -1.777 75 HA ILE 10 HA ILE 10 26.958 8.337 -4.368 76 HB ILE 10 HB ILE 10 27.961 6.749 -2.649 77 1HG1 ILE 10 HG12 ILE 10 25.036 6.431 -3.401 78 2HG1 ILE 10 HG11 ILE 10 26.423 5.933 -4.370 79 1HG2 ILE 10 HG21 ILE 10 25.419 7.453 -1.150 80 2HG2 ILE 10 HG22 ILE 10 27.040 7.955 -0.670 81 3HG2 ILE 10 HG23 ILE 10 26.612 6.244 -0.673 82 1HD1 ILE 10 HD11 ILE 10 25.304 4.086 -3.007 83 2HD1 ILE 10 HD12 ILE 10 25.941 4.890 -1.572 84 3HD1 ILE 10 HD13 ILE 10 27.047 4.252 -2.790 85 H GLU 11 HN GLU 11 26.004 9.551 -1.155 86 HA GLU 11 HA GLU 11 23.187 9.831 -2.080 87 1HB GLU 11 HB2 GLU 11 24.504 9.164 0.327 88 2HB GLU 11 HB1 GLU 11 23.771 10.744 0.608 89 1HG GLU 11 HG2 GLU 11 22.322 8.314 -0.484 90 2HG GLU 11 HG1 GLU 11 22.203 8.916 1.170 91 H GLY 12 HN GLY 12 24.709 11.589 -3.495 92 1HA GLY 12 HA2 GLY 12 24.986 14.140 -2.086 93 2HA GLY 12 HA1 GLY 12 25.260 13.872 -3.808 94 H ARG 13 HN ARG 13 23.808 16.100 -2.845 95 HA ARG 13 HA ARG 13 21.048 15.447 -3.829 96 1HB ARG 13 HB2 ARG 13 22.061 16.720 -1.390 97 2HB ARG 13 HB1 ARG 13 20.859 17.708 -2.220 98 1HG ARG 13 HG2 ARG 13 19.180 16.125 -1.969 99 2HG ARG 13 HG1 ARG 13 20.319 14.781 -1.876 100 1HD ARG 13 HD2 ARG 13 20.541 14.983 0.387 101 2HD ARG 13 HD1 ARG 13 20.594 16.756 0.310 102 HE ARG 13 HE ARG 13 17.968 15.712 -0.373 103 1HH1 ARG 13 HH11 ARG 13 20.122 16.248 2.263 104 2HH1 ARG 13 HH12 ARG 13 18.867 16.688 3.373 105 1HH2 ARG 13 HH21 ARG 13 16.329 16.407 1.029 106 2HH2 ARG 13 HH22 ARG 13 16.721 16.777 2.675 107 H ALA 14 HN ALA 14 22.976 16.197 -5.677 108 HA ALA 14 HA ALA 14 23.425 18.952 -6.121 109 1HB ALA 14 HB1 ALA 14 24.581 17.685 -7.633 110 2HB ALA 14 HB2 ALA 14 23.139 17.883 -8.629 111 3HB ALA 14 HB3 ALA 14 23.346 16.426 -7.657 112 HA PRO 15 HA PRO 15 19.377 19.161 -8.645 113 1HB PRO 15 HB2 PRO 15 17.773 16.944 -8.715 114 2HB PRO 15 HB1 PRO 15 19.084 17.224 -9.880 115 1HG PRO 15 HG2 PRO 15 19.033 15.473 -7.472 116 2HG PRO 15 HG1 PRO 15 19.769 15.191 -9.058 117 1HD PRO 15 HD2 PRO 15 21.185 15.952 -6.854 118 2HD PRO 15 HD1 PRO 15 21.677 16.328 -8.520 119 H THR 16 HN THR 16 16.856 19.000 -8.024 120 HA THR 16 HA THR 16 16.697 19.092 -5.028 121 HB THR 16 HB THR 16 14.667 20.524 -6.599 122 HG1 THR 16 HG1 THR 16 17.347 21.424 -6.706 123 1HG2 THR 16 HG21 THR 16 16.187 22.266 -5.003 124 2HG2 THR 16 HG22 THR 16 16.154 20.737 -4.125 125 3HG2 THR 16 HG23 THR 16 14.644 21.524 -4.586 126 H GLU 17 HN GLU 17 14.937 18.261 -8.014 127 HA GLU 17 HA GLU 17 12.569 17.268 -6.836 128 1HB GLU 17 HB2 GLU 17 14.111 16.679 -9.364 129 2HB GLU 17 HB1 GLU 17 12.561 15.906 -9.032 130 1HG GLU 17 HG2 GLU 17 11.652 17.744 -10.007 131 2HG GLU 17 HG1 GLU 17 12.014 18.547 -8.479 132 H GLN 18 HN GLN 18 12.448 15.617 -5.364 133 HA GLN 18 HA GLN 18 13.778 13.085 -5.892 134 1HB GLN 18 HB2 GLN 18 14.768 15.116 -3.997 135 2HB GLN 18 HB1 GLN 18 14.635 13.494 -3.315 136 1HG GLN 18 HG2 GLN 18 16.382 12.728 -4.529 137 2HG GLN 18 HG1 GLN 18 15.795 13.498 -6.004 138 1HE2 GLN 18 HE21 GLN 18 16.484 15.244 -2.970 139 2HE2 GLN 18 HE22 GLN 18 17.785 16.141 -3.589 140 H SER 19 HN SER 19 11.028 13.919 -5.644 141 HA SER 19 HA SER 19 9.786 13.583 -3.159 142 1HB SER 19 HB2 SER 19 9.056 13.827 -5.790 143 2HB SER 19 HB1 SER 19 8.541 12.179 -5.444 144 HG SER 19 HG SER 19 7.001 13.919 -4.958 145 HA PRO 20 HA PRO 20 11.054 9.414 -2.225 146 1HB PRO 20 HB2 PRO 20 9.662 9.198 0.122 147 2HB PRO 20 HB1 PRO 20 11.191 10.089 -0.017 148 1HG PRO 20 HG2 PRO 20 8.400 11.119 0.047 149 2HG PRO 20 HG1 PRO 20 9.868 11.790 0.774 150 1HD PRO 20 HD2 PRO 20 8.759 12.732 -1.537 151 2HD PRO 20 HD1 PRO 20 10.489 12.859 -1.151 152 H GLY 21 HN GLY 21 10.088 7.416 -2.645 153 1HA GLY 21 HA2 GLY 21 7.754 7.129 -4.091 154 2HA GLY 21 HA1 GLY 21 8.369 5.846 -3.046 155 H VAL 22 HN VAL 22 5.921 8.239 -3.439 156 HA VAL 22 HA VAL 22 4.518 7.188 -1.052 157 HB VAL 22 HB VAL 22 6.064 9.109 -0.408 158 1HG1 VAL 22 HG11 VAL 22 5.734 10.415 -2.490 159 2HG1 VAL 22 HG12 VAL 22 5.343 11.367 -1.058 160 3HG1 VAL 22 HG13 VAL 22 4.049 10.683 -2.042 161 1HG2 VAL 22 HG21 VAL 22 3.123 8.958 0.040 162 2HG2 VAL 22 HG22 VAL 22 3.930 10.434 0.571 163 3HG2 VAL 22 HG23 VAL 22 4.444 8.871 1.206 164 H GLN 23 HN GLN 23 2.308 7.191 -1.414 165 HA GLN 23 HA GLN 23 0.837 9.087 -2.907 166 1HB GLN 23 HB2 GLN 23 0.525 7.626 -4.986 167 2HB GLN 23 HB1 GLN 23 2.103 8.394 -4.825 168 1HG GLN 23 HG2 GLN 23 2.924 6.276 -3.715 169 2HG GLN 23 HG1 GLN 23 1.385 5.530 -4.148 170 1HE2 GLN 23 HE21 GLN 23 0.930 5.212 -6.465 171 2HE2 GLN 23 HE22 GLN 23 2.183 5.250 -7.609 172 H ASP 24 HN ASP 24 -0.076 8.147 -0.695 173 HA ASP 24 HA ASP 24 -1.505 5.587 -0.955 174 1HB ASP 24 HB2 ASP 24 -2.214 6.180 1.356 175 2HB ASP 24 HB1 ASP 24 -0.468 6.323 1.152 176 H CYS 25 HN CYS 25 -3.307 5.638 -2.268 177 HA CYS 25 HA CYS 25 -5.505 7.477 -1.577 178 1HB CYS 25 HB2 CYS 25 -3.656 8.357 -3.376 179 2HB CYS 25 HB1 CYS 25 -4.832 7.587 -4.439 180 H TYR 26 HN TYR 26 -7.495 6.816 -2.484 181 HA TYR 26 HA TYR 26 -7.620 4.581 -4.386 182 1HB TYR 26 HB2 TYR 26 -8.535 2.983 -2.846 183 2HB TYR 26 HB1 TYR 26 -7.092 3.635 -2.070 184 HD1 TYR 26 HD1 TYR 26 -7.232 4.684 0.033 185 HD2 TYR 26 HD2 TYR 26 -10.802 4.061 -2.266 186 HE1 TYR 26 HE1 TYR 26 -8.601 5.425 1.964 187 HE2 TYR 26 HE2 TYR 26 -12.172 4.803 -0.336 188 HH TYR 26 HH TYR 26 -11.671 4.800 2.382 189 H HIS 27 HN HIS 27 -9.811 4.296 -5.171 190 HA HIS 27 HA HIS 27 -11.584 6.597 -4.484 191 1HB HIS 27 HB2 HIS 27 -10.741 6.143 -6.839 192 2HB HIS 27 HB1 HIS 27 -11.708 4.668 -6.823 193 HD1 HIS 27 HD1 HIS 27 -11.938 8.272 -7.428 194 HD2 HIS 27 HD2 HIS 27 -14.591 5.219 -6.425 195 HE1 HIS 27 HE1 HIS 27 -14.263 9.164 -7.890 196 H GLY 28 HN GLY 28 -13.780 6.194 -3.911 197 1HA GLY 28 HA2 GLY 28 -15.620 4.954 -3.125 198 2HA GLY 28 HA1 GLY 28 -14.941 3.545 -3.943 199 H ASP 29 HN ASP 29 -14.007 1.995 -2.694 200 HA ASP 29 HA ASP 29 -13.052 2.706 0.022 201 1HB ASP 29 HB2 ASP 29 -15.431 1.156 -0.730 202 2HB ASP 29 HB1 ASP 29 -14.381 0.321 0.416 203 H GLY 30 HN GLY 30 -11.360 2.233 -2.027 204 1HA GLY 30 HA2 GLY 30 -9.439 0.899 -2.397 205 2HA GLY 30 HA1 GLY 30 -10.038 -0.236 -1.181 206 H GLN 31 HN GLN 31 -12.653 0.278 -3.043 207 HA GLN 31 HA GLN 31 -12.394 -2.290 -4.417 208 1HB GLN 31 HB2 GLN 31 -14.409 -0.237 -3.815 209 2HB GLN 31 HB1 GLN 31 -14.632 -0.980 -5.399 210 1HG GLN 31 HG2 GLN 31 -14.282 -3.231 -4.153 211 2HG GLN 31 HG1 GLN 31 -14.611 -2.301 -2.691 212 1HE2 GLN 31 HE21 GLN 31 -16.486 -4.214 -3.195 213 2HE2 GLN 31 HE22 GLN 31 -17.906 -3.540 -3.837 214 H SER 32 HN SER 32 -11.626 -2.583 -6.478 215 HA SER 32 HA SER 32 -10.988 -2.081 -8.705 216 1HB SER 32 HB2 SER 32 -13.321 -0.873 -8.367 217 2HB SER 32 HB1 SER 32 -12.337 0.587 -8.405 218 HG SER 32 HG SER 32 -11.499 -0.156 -10.413 219 H TYR 33 HN TYR 33 -9.500 -1.108 -6.209 220 HA TYR 33 HA TYR 33 -8.333 1.376 -6.310 221 1HB TYR 33 HB2 TYR 33 -7.670 -0.280 -4.699 222 2HB TYR 33 HB1 TYR 33 -7.089 -1.364 -5.963 223 HD1 TYR 33 HD1 TYR 33 -6.565 2.139 -4.723 224 HD2 TYR 33 HD2 TYR 33 -4.803 -1.380 -6.447 225 HE1 TYR 33 HE1 TYR 33 -4.328 3.203 -4.606 226 HE2 TYR 33 HE2 TYR 33 -2.566 -0.315 -6.330 227 HH TYR 33 HH TYR 33 -1.754 2.257 -6.292 228 H ARG 34 HN ARG 34 -7.945 -1.180 -8.693 229 HA ARG 34 HA ARG 34 -6.733 -1.231 -10.729 230 1HB ARG 34 HB2 ARG 34 -8.367 0.976 -10.516 231 2HB ARG 34 HB1 ARG 34 -6.818 1.708 -10.936 232 1HG ARG 34 HG2 ARG 34 -6.620 0.299 -12.902 233 2HG ARG 34 HG1 ARG 34 -8.068 -0.601 -12.449 234 1HD ARG 34 HD2 ARG 34 -9.072 0.895 -13.892 235 2HD ARG 34 HD1 ARG 34 -9.067 1.933 -12.452 236 HE ARG 34 HE ARG 34 -6.587 2.418 -13.445 237 1HH1 ARG 34 HH21 ARG 34 -9.433 3.822 -14.003 238 2HH1 ARG 34 HH22 ARG 34 -9.171 4.250 -15.661 239 1HH2 ARG 34 HH11 ARG 34 -6.340 2.277 -15.997 240 2HH2 ARG 34 HH12 ARG 34 -7.419 3.375 -16.790 241 H GLY 35 HN GLY 35 -4.697 -1.779 -9.539 242 1HA GLY 35 HA2 GLY 35 -2.445 -0.387 -10.335 243 2HA GLY 35 HA1 GLY 35 -2.869 0.360 -8.794 244 H SER 36 HN SER 36 -0.616 -0.657 -8.357 245 HA SER 36 HA SER 36 -1.053 -3.409 -7.247 246 1HB SER 36 HB2 SER 36 1.404 -3.729 -7.893 247 2HB SER 36 HB1 SER 36 0.267 -3.635 -9.234 248 HG SER 36 HG SER 36 1.266 -1.214 -8.354 249 H PHE 37 HN PHE 37 -1.535 -1.612 -5.417 250 HA PHE 37 HA PHE 37 0.798 -0.385 -4.186 251 1HB PHE 37 HB2 PHE 37 -1.739 0.225 -4.091 252 2HB PHE 37 HB1 PHE 37 -1.813 -0.990 -2.812 253 HD1 PHE 37 HD1 PHE 37 -0.775 2.371 -3.695 254 HD2 PHE 37 HD2 PHE 37 -0.308 -0.763 -0.797 255 HE1 PHE 37 HE1 PHE 37 0.174 4.001 -2.085 256 HE2 PHE 37 HE2 PHE 37 0.640 0.866 0.814 257 HZ PHE 37 HZ PHE 37 0.881 3.250 0.170 258 H SER 38 HN SER 38 1.899 -2.678 -4.351 259 HA SER 38 HA SER 38 1.200 -4.715 -2.453 260 1HB SER 38 HB2 SER 38 3.847 -5.046 -2.963 261 2HB SER 38 HB1 SER 38 2.581 -5.508 -4.096 262 HG SER 38 HG SER 38 3.915 -4.202 -5.235 263 H THR 39 HN THR 39 1.178 -2.213 -0.992 264 HA THR 39 HA THR 39 3.437 -2.726 0.902 265 HB THR 39 HB THR 39 2.449 -0.123 -0.292 266 HG1 THR 39 HG1 THR 39 4.683 0.027 -0.798 267 1HG2 THR 39 HG21 THR 39 3.314 -0.548 2.372 268 2HG2 THR 39 HG22 THR 39 3.077 0.995 1.554 269 3HG2 THR 39 HG23 THR 39 4.657 0.213 1.522 270 H THR 40 HN THR 40 2.872 -2.368 3.120 271 HA THR 40 HA THR 40 -0.041 -2.378 3.664 272 HB THR 40 HB THR 40 0.828 -2.929 5.984 273 HG1 THR 40 HG1 THR 40 2.863 -2.669 6.351 274 1HG2 THR 40 HG21 THR 40 1.456 -5.166 5.423 275 2HG2 THR 40 HG22 THR 40 2.071 -4.670 3.846 276 3HG2 THR 40 HG23 THR 40 0.337 -4.644 4.164 277 H VAL 41 HN VAL 41 -0.707 -1.093 5.701 278 HA VAL 41 HA VAL 41 -0.355 1.708 5.261 279 HB VAL 41 HB VAL 41 -1.438 -0.063 7.446 280 1HG1 VAL 41 HG11 VAL 41 -1.065 2.934 7.524 281 2HG1 VAL 41 HG12 VAL 41 -0.643 1.749 8.760 282 3HG1 VAL 41 HG13 VAL 41 -2.336 2.132 8.447 283 1HG2 VAL 41 HG21 VAL 41 -3.393 1.687 6.641 284 2HG2 VAL 41 HG22 VAL 41 -3.133 0.091 5.939 285 3HG2 VAL 41 HG23 VAL 41 -2.442 1.517 5.166 286 H THR 42 HN THR 42 0.948 -0.392 7.864 287 HA THR 42 HA THR 42 2.533 1.572 9.164 288 HB THR 42 HB THR 42 3.823 -0.977 9.242 289 HG1 THR 42 HG1 THR 42 2.246 -2.210 8.630 290 1HG2 THR 42 HG21 THR 42 2.272 -0.933 11.454 291 2HG2 THR 42 HG22 THR 42 2.173 0.764 10.988 292 3HG2 THR 42 HG23 THR 42 3.745 0.024 11.294 293 H GLY 43 HN GLY 43 2.999 -0.061 6.132 294 1HA GLY 43 HA2 GLY 43 4.599 0.918 4.531 295 2HA GLY 43 HA1 GLY 43 5.669 1.259 5.892 296 H ARG 44 HN ARG 44 4.452 -1.689 6.601 297 HA ARG 44 HA ARG 44 6.903 -3.082 5.949 298 1HB ARG 44 HB2 ARG 44 4.338 -3.528 7.325 299 2HB ARG 44 HB1 ARG 44 5.014 -4.983 6.591 300 1HG ARG 44 HG2 ARG 44 7.254 -3.957 7.711 301 2HG ARG 44 HG1 ARG 44 6.047 -3.347 8.844 302 1HD ARG 44 HD2 ARG 44 6.475 -6.248 8.044 303 2HD ARG 44 HD1 ARG 44 6.752 -5.530 9.643 304 HE ARG 44 HE ARG 44 4.171 -6.300 8.581 305 1HH1 ARG 44 HH21 ARG 44 5.891 -4.607 10.991 306 2HH1 ARG 44 HH22 ARG 44 4.485 -3.881 11.695 307 1HH2 ARG 44 HH11 ARG 44 2.318 -5.080 9.269 308 2HH2 ARG 44 HH12 ARG 44 2.465 -4.149 10.722 309 H THR 45 HN THR 45 6.047 -5.560 5.064 310 HA THR 45 HA THR 45 4.984 -4.971 2.316 311 HB THR 45 HB THR 45 7.123 -6.911 3.257 312 HG1 THR 45 HG1 THR 45 7.727 -4.699 3.110 313 1HG2 THR 45 HG21 THR 45 5.433 -6.996 0.960 314 2HG2 THR 45 HG22 THR 45 6.799 -8.043 1.346 315 3HG2 THR 45 HG23 THR 45 7.055 -6.563 0.422 316 H CYS 46 HN CYS 46 3.235 -6.233 1.725 317 HA CYS 46 HA CYS 46 2.094 -8.042 3.661 318 1HB CYS 46 HB2 CYS 46 1.208 -7.804 0.794 319 2HB CYS 46 HB1 CYS 46 0.226 -8.055 2.228 320 H GLN 47 HN GLN 47 1.487 -10.318 3.081 321 HA GLN 47 HA GLN 47 3.782 -11.675 1.798 322 1HB GLN 47 HB2 GLN 47 3.057 -12.501 3.932 323 2HB GLN 47 HB1 GLN 47 1.373 -12.552 3.412 324 1HG GLN 47 HG2 GLN 47 2.335 -14.808 3.372 325 2HG GLN 47 HG1 GLN 47 1.970 -14.276 1.730 326 1HE2 GLN 47 HE21 GLN 47 4.748 -13.918 4.021 327 2HE2 GLN 47 HE22 GLN 47 5.933 -14.281 2.861 328 H SER 48 HN SER 48 3.619 -12.643 -0.225 329 HA SER 48 HA SER 48 1.750 -12.056 -2.166 330 1HB SER 48 HB2 SER 48 3.821 -13.999 -1.666 331 2HB SER 48 HB1 SER 48 2.492 -14.770 -2.528 332 HG SER 48 HG SER 48 3.647 -13.865 -4.119 333 H TRP 49 HN TRP 49 -0.369 -12.693 -2.602 334 HA TRP 49 HA TRP 49 -1.980 -13.957 -0.626 335 1HB TRP 49 HB2 TRP 49 -2.328 -13.851 -3.646 336 2HB TRP 49 HB1 TRP 49 -3.617 -14.086 -2.467 337 HD1 TRP 49 HD1 TRP 49 -1.354 -11.414 -3.943 338 HE1 TRP 49 HE1 TRP 49 -2.191 -9.114 -3.179 339 HE3 TRP 49 HE3 TRP 49 -4.833 -12.806 -0.539 340 HZ2 TRP 49 HZ2 TRP 49 -4.068 -7.992 -1.372 341 HZ3 TRP 49 HZ3 TRP 49 -6.151 -11.117 0.711 342 HH2 TRP 49 HH2 TRP 49 -5.770 -8.700 0.295 343 H SER 50 HN SER 50 -0.272 -15.170 -3.454 344 HA SER 50 HA SER 50 -1.108 -17.947 -3.125 345 1HB SER 50 HB2 SER 50 -0.572 -16.738 -5.259 346 2HB SER 50 HB1 SER 50 1.110 -16.666 -4.746 347 HG SER 50 HG SER 50 0.890 -19.041 -4.528 348 H SER 51 HN SER 51 0.440 -16.575 -0.832 349 HA SER 51 HA SER 51 2.986 -18.102 -0.848 350 1HB SER 51 HB2 SER 51 3.632 -16.578 0.800 351 2HB SER 51 HB1 SER 51 2.475 -15.608 -0.107 352 HG SER 51 HG SER 51 0.994 -15.899 1.450 353 H MET 52 HN MET 52 2.730 -20.211 -0.179 354 HA MET 52 HA MET 52 0.687 -20.794 1.910 355 1HB MET 52 HB2 MET 52 2.301 -22.768 0.293 356 2HB MET 52 HB1 MET 52 0.722 -23.000 1.031 357 1HG MET 52 HG2 MET 52 1.430 -21.583 -1.511 358 2HG MET 52 HG1 MET 52 0.120 -22.710 -1.191 359 1HE MET 52 HE1 MET 52 -2.248 -21.614 0.551 360 2HE MET 52 HE2 MET 52 -1.570 -20.340 1.561 361 3HE MET 52 HE3 MET 52 -0.709 -21.856 1.373 362 H THR 53 HN THR 53 3.456 -19.603 2.376 363 HA THR 53 HA THR 53 4.737 -21.797 3.924 364 HB THR 53 HB THR 53 6.250 -19.473 4.172 365 HG1 THR 53 HG1 THR 53 6.204 -18.536 2.163 366 1HG2 THR 53 HG21 THR 53 6.597 -22.010 3.273 367 2HG2 THR 53 HG22 THR 53 7.807 -20.740 3.088 368 3HG2 THR 53 HG23 THR 53 6.716 -21.120 1.755 369 HA PRO 54 HA PRO 54 4.064 -18.646 7.402 370 1HB PRO 54 HB2 PRO 54 3.054 -16.169 6.831 371 2HB PRO 54 HB1 PRO 54 4.788 -16.540 6.772 372 1HG PRO 54 HG2 PRO 54 2.830 -16.293 4.553 373 2HG PRO 54 HG1 PRO 54 4.531 -15.809 4.619 374 1HD PRO 54 HD2 PRO 54 3.623 -18.078 3.376 375 2HD PRO 54 HD1 PRO 54 5.271 -17.872 4.005 376 H HIS 55 HN HIS 55 1.539 -16.738 5.922 377 HA HIS 55 HA HIS 55 -0.511 -18.266 7.413 378 1HB HIS 55 HB2 HIS 55 -1.041 -15.921 5.596 379 2HB HIS 55 HB1 HIS 55 -1.822 -16.337 7.121 380 HD1 HIS 55 HD1 HIS 55 1.359 -14.857 5.740 381 HD2 HIS 55 HD2 HIS 55 -0.540 -15.315 9.421 382 HE1 HIS 55 HE1 HIS 55 2.697 -13.514 7.401 383 H TRP 56 HN TRP 56 -1.422 -20.013 6.399 384 HA TRP 56 HA TRP 56 -1.482 -20.113 3.429 385 1HB TRP 56 HB2 TRP 56 -0.622 -21.934 5.036 386 2HB TRP 56 HB1 TRP 56 -2.319 -22.232 5.414 387 HD1 TRP 56 HD1 TRP 56 -3.762 -22.181 2.787 388 HE1 TRP 56 HE1 TRP 56 -3.251 -23.786 0.864 389 HE3 TRP 56 HE3 TRP 56 0.961 -23.520 4.049 390 HZ2 TRP 56 HZ2 TRP 56 -1.106 -25.436 -0.036 391 HZ3 TRP 56 HZ3 TRP 56 2.227 -25.094 2.634 392 HH2 TRP 56 HH2 TRP 56 1.211 -26.069 0.597 393 H HIS 57 HN HIS 57 -3.401 -20.049 2.273 394 HA HIS 57 HA HIS 57 -5.984 -20.518 3.578 395 1HB HIS 57 HB2 HIS 57 -6.777 -18.285 3.488 396 2HB HIS 57 HB1 HIS 57 -5.133 -18.122 4.100 397 HD1 HIS 57 HD1 HIS 57 -4.031 -18.771 1.035 398 HD2 HIS 57 HD2 HIS 57 -6.495 -15.654 2.298 399 HE1 HIS 57 HE1 HIS 57 -3.811 -16.936 -0.698 400 H GLN 58 HN GLN 58 -7.369 -18.877 1.524 401 HA GLN 58 HA GLN 58 -6.504 -20.058 -1.049 402 1HB GLN 58 HB2 GLN 58 -8.724 -21.005 0.671 403 2HB GLN 58 HB1 GLN 58 -9.121 -20.822 -1.039 404 1HG GLN 58 HG2 GLN 58 -7.036 -22.148 -1.572 405 2HG GLN 58 HG1 GLN 58 -6.884 -22.480 0.153 406 1HE2 GLN 58 HE21 GLN 58 -7.720 -24.169 -2.391 407 2HE2 GLN 58 HE22 GLN 58 -9.094 -25.000 -1.840 408 H ARG 59 HN ARG 59 -6.347 -17.855 -1.752 409 HA ARG 59 HA ARG 59 -8.848 -16.707 -2.726 410 1HB ARG 59 HB2 ARG 59 -8.164 -16.113 -0.132 411 2HB ARG 59 HB1 ARG 59 -7.417 -14.777 -1.009 412 1HG ARG 59 HG2 ARG 59 -9.909 -15.035 -2.216 413 2HG ARG 59 HG1 ARG 59 -10.246 -15.310 -0.506 414 1HD ARG 59 HD2 ARG 59 -8.762 -13.197 -0.107 415 2HD ARG 59 HD1 ARG 59 -9.073 -12.863 -1.823 416 HE ARG 59 HE ARG 59 -11.419 -12.654 -1.329 417 1HH1 ARG 59 HH11 ARG 59 -9.913 -11.470 1.172 418 2HH1 ARG 59 HH12 ARG 59 -10.954 -12.054 2.427 419 1HH2 ARG 59 HH21 ARG 59 -12.596 -14.318 0.380 420 2HH2 ARG 59 HH22 ARG 59 -12.471 -13.666 1.980 421 H THR 60 HN THR 60 -6.061 -17.565 -3.579 422 HA THR 60 HA THR 60 -4.539 -15.228 -4.345 423 HB THR 60 HB THR 60 -3.517 -17.412 -4.225 424 HG1 THR 60 HG1 THR 60 -2.460 -16.565 -5.833 425 1HG2 THR 60 HG21 THR 60 -5.232 -18.964 -4.515 426 2HG2 THR 60 HG22 THR 60 -4.330 -19.125 -6.022 427 3HG2 THR 60 HG23 THR 60 -5.817 -18.177 -5.981 428 H THR 61 HN THR 61 -4.034 -15.322 -6.936 429 HA THR 61 HA THR 61 -6.423 -14.252 -8.203 430 HB THR 61 HB THR 61 -4.589 -14.522 -10.180 431 HG1 THR 61 HG1 THR 61 -2.918 -14.147 -7.987 432 1HG2 THR 61 HG21 THR 61 -4.751 -12.305 -9.902 433 2HG2 THR 61 HG22 THR 61 -3.643 -12.410 -8.533 434 3HG2 THR 61 HG23 THR 61 -5.382 -12.544 -8.273 435 H GLU 62 HN GLU 62 -5.111 -17.380 -7.724 436 HA GLU 62 HA GLU 62 -5.937 -18.617 -10.176 437 1HB GLU 62 HB2 GLU 62 -4.329 -19.645 -8.642 438 2HB GLU 62 HB1 GLU 62 -5.530 -19.648 -7.350 439 1HG GLU 62 HG2 GLU 62 -6.727 -20.951 -9.565 440 2HG GLU 62 HG1 GLU 62 -5.102 -21.619 -9.405 441 H TYR 63 HN TYR 63 -7.474 -17.640 -7.240 442 HA TYR 63 HA TYR 63 -9.999 -19.007 -7.962 443 1HB TYR 63 HB2 TYR 63 -8.634 -18.369 -5.582 444 2HB TYR 63 HB1 TYR 63 -10.038 -17.302 -5.610 445 HD1 TYR 63 HD1 TYR 63 -9.014 -20.874 -5.993 446 HD2 TYR 63 HD2 TYR 63 -12.192 -18.124 -5.104 447 HE1 TYR 63 HE1 TYR 63 -10.470 -22.770 -5.333 448 HE2 TYR 63 HE2 TYR 63 -13.648 -20.020 -4.445 449 HH TYR 63 HH TYR 63 -12.442 -23.174 -3.943 450 H TYR 64 HN TYR 64 -8.423 -16.215 -8.771 451 HA TYR 64 HA TYR 64 -11.007 -14.765 -9.217 452 1HB TYR 64 HB2 TYR 64 -8.740 -14.083 -7.509 453 2HB TYR 64 HB1 TYR 64 -9.055 -12.824 -8.702 454 HD1 TYR 64 HD1 TYR 64 -11.340 -11.799 -8.863 455 HD2 TYR 64 HD2 TYR 64 -10.247 -14.486 -5.695 456 HE1 TYR 64 HE1 TYR 64 -13.283 -11.021 -7.534 457 HE2 TYR 64 HE2 TYR 64 -12.192 -13.709 -4.366 458 HH TYR 64 HH TYR 64 -14.059 -10.941 -5.287 459 HA PRO 65 HA PRO 65 -8.870 -14.873 -13.188 460 1HB PRO 65 HB2 PRO 65 -11.077 -14.165 -14.650 461 2HB PRO 65 HB1 PRO 65 -10.774 -15.823 -14.092 462 1HG PRO 65 HG2 PRO 65 -12.577 -13.743 -12.956 463 2HG PRO 65 HG1 PRO 65 -12.828 -15.488 -13.119 464 1HD PRO 65 HD2 PRO 65 -12.127 -14.290 -10.776 465 2HD PRO 65 HD1 PRO 65 -11.696 -15.966 -11.185 466 H ASN 66 HN ASN 66 -10.097 -12.361 -11.336 467 HA ASN 66 HA ASN 66 -8.766 -10.342 -13.056 468 1HB ASN 66 HB2 ASN 66 -11.689 -10.571 -12.436 469 2HB ASN 66 HB1 ASN 66 -10.984 -8.957 -12.543 470 1HD2 ASN 66 HD21 ASN 66 -11.463 -11.979 -14.398 471 2HD2 ASN 66 HD22 ASN 66 -11.264 -11.262 -15.924 472 H GLY 67 HN GLY 67 -8.693 -11.687 -10.232 473 1HA GLY 67 HA2 GLY 67 -9.253 -9.659 -8.293 474 2HA GLY 67 HA1 GLY 67 -8.149 -11.014 -8.052 475 H GLY 68 HN GLY 68 -6.243 -10.522 -10.008 476 1HA GLY 68 HA2 GLY 68 -4.504 -9.029 -10.643 477 2HA GLY 68 HA1 GLY 68 -5.314 -7.746 -9.739 478 H LEU 69 HN LEU 69 -5.041 -10.682 -8.034 479 HA LEU 69 HA LEU 69 -3.355 -9.503 -6.006 480 1HB LEU 69 HB2 LEU 69 -4.219 -12.369 -6.494 481 2HB LEU 69 HB1 LEU 69 -3.644 -11.708 -4.962 482 HG LEU 69 HG LEU 69 -6.192 -11.050 -6.436 483 1HD1 LEU 69 HD11 LEU 69 -5.433 -12.615 -4.122 484 2HD1 LEU 69 HD12 LEU 69 -7.013 -12.481 -4.896 485 3HD1 LEU 69 HD13 LEU 69 -6.540 -11.327 -3.648 486 1HD2 LEU 69 HD21 LEU 69 -4.699 -9.477 -4.340 487 2HD2 LEU 69 HD22 LEU 69 -6.453 -9.366 -4.480 488 3HD2 LEU 69 HD23 LEU 69 -5.428 -8.896 -5.837 489 H THR 70 HN THR 70 -1.786 -9.198 -8.143 490 HA THR 70 HA THR 70 -0.055 -11.433 -8.772 491 HB THR 70 HB THR 70 0.687 -8.511 -8.933 492 HG1 THR 70 HG1 THR 70 -0.821 -9.683 -10.955 493 1HG2 THR 70 HG21 THR 70 1.016 -10.152 -11.301 494 2HG2 THR 70 HG22 THR 70 1.790 -10.902 -9.905 495 3HG2 THR 70 HG23 THR 70 2.233 -9.264 -10.385 496 H ARG 71 HN ARG 71 1.338 -12.335 -7.299 497 HA ARG 71 HA ARG 71 2.896 -12.506 -5.528 498 1HB ARG 71 HB2 ARG 71 3.255 -9.593 -6.313 499 2HB ARG 71 HB1 ARG 71 4.408 -10.547 -5.379 500 1HG ARG 71 HG2 ARG 71 4.447 -12.179 -7.336 501 2HG ARG 71 HG1 ARG 71 3.574 -10.953 -8.256 502 1HD ARG 71 HD2 ARG 71 5.455 -9.328 -7.554 503 2HD ARG 71 HD1 ARG 71 6.363 -10.783 -7.098 504 HE ARG 71 HE ARG 71 5.497 -11.465 -9.583 505 1HH1 ARG 71 HH21 ARG 71 8.320 -10.435 -8.971 506 2HH1 ARG 71 HH22 ARG 71 8.477 -9.190 -10.166 507 1HH2 ARG 71 HH11 ARG 71 5.081 -9.058 -10.855 508 2HH2 ARG 71 HH12 ARG 71 6.642 -8.410 -11.233 509 H ASN 72 HN ASN 72 3.419 -9.837 -3.977 510 HA ASN 72 HA ASN 72 1.360 -10.299 -1.930 511 1HB ASN 72 HB2 ASN 72 3.255 -9.844 -0.772 512 2HB ASN 72 HB1 ASN 72 4.056 -9.248 -2.219 513 1HD2 ASN 72 HD21 ASN 72 2.881 -6.896 -2.857 514 2HD2 ASN 72 HD22 ASN 72 2.854 -5.821 -1.545 515 H TYR 73 HN TYR 73 1.073 -8.798 -4.730 516 HA TYR 73 HA TYR 73 0.518 -6.120 -4.612 517 1HB TYR 73 HB2 TYR 73 -0.751 -8.499 -5.871 518 2HB TYR 73 HB1 TYR 73 -1.704 -7.015 -5.896 519 HD1 TYR 73 HD1 TYR 73 1.974 -6.960 -5.813 520 HD2 TYR 73 HD2 TYR 73 -1.508 -6.710 -8.315 521 HE1 TYR 73 HE1 TYR 73 3.370 -6.090 -7.668 522 HE2 TYR 73 HE2 TYR 73 -0.112 -5.840 -10.171 523 HH TYR 73 HH TYR 73 3.401 -5.710 -9.919 524 H CYS 74 HN CYS 74 -1.240 -4.820 -3.928 525 HA CYS 74 HA CYS 74 -2.767 -5.919 -1.616 526 1HB CYS 74 HB2 CYS 74 -1.363 -3.979 -1.189 527 2HB CYS 74 HB1 CYS 74 -2.078 -3.117 -2.553 528 H ARG 75 HN ARG 75 -4.869 -6.417 -2.002 529 HA ARG 75 HA ARG 75 -6.368 -4.837 -4.067 530 1HB ARG 75 HB2 ARG 75 -5.602 -7.613 -3.917 531 2HB ARG 75 HB1 ARG 75 -7.360 -7.485 -3.933 532 1HG ARG 75 HG2 ARG 75 -6.739 -7.567 -6.227 533 2HG ARG 75 HG1 ARG 75 -7.047 -5.860 -5.908 534 1HD ARG 75 HD2 ARG 75 -4.622 -5.478 -5.590 535 2HD ARG 75 HD1 ARG 75 -4.315 -7.192 -5.930 536 HE ARG 75 HE ARG 75 -4.568 -6.656 -8.208 537 1HH1 ARG 75 HH11 ARG 75 -7.525 -6.072 -7.762 538 2HH1 ARG 75 HH12 ARG 75 -7.652 -4.469 -8.405 539 1HH2 ARG 75 HH21 ARG 75 -4.231 -3.904 -8.388 540 2HH2 ARG 75 HH22 ARG 75 -5.788 -3.242 -8.761 541 H ASN 76 HN ASN 76 -8.829 -5.193 -3.713 542 HA ASN 76 HA ASN 76 -9.410 -5.447 -0.779 543 1HB ASN 76 HB2 ASN 76 -9.508 -3.138 -1.348 544 2HB ASN 76 HB1 ASN 76 -10.319 -3.472 -2.879 545 1HD2 ASN 76 HD21 ASN 76 -12.596 -3.464 -2.862 546 2HD2 ASN 76 HD22 ASN 76 -13.540 -3.399 -1.453 547 HA PRO 77 HA PRO 77 -12.125 -8.343 -3.113 548 1HB PRO 77 HB2 PRO 77 -11.659 -10.517 -1.527 549 2HB PRO 77 HB1 PRO 77 -10.620 -10.086 -2.898 550 1HG PRO 77 HG2 PRO 77 -10.169 -9.721 0.003 551 2HG PRO 77 HG1 PRO 77 -9.007 -10.025 -1.295 552 1HD PRO 77 HD2 PRO 77 -9.496 -7.559 -0.107 553 2HD PRO 77 HD1 PRO 77 -8.683 -7.814 -1.665 554 H ASP 78 HN ASP 78 -12.981 -6.386 -1.169 555 HA ASP 78 HA ASP 78 -15.220 -7.849 0.038 556 1HB ASP 78 HB2 ASP 78 -13.416 -8.197 1.663 557 2HB ASP 78 HB1 ASP 78 -13.080 -6.466 1.695 558 H ALA 79 HN ALA 79 -14.083 -4.901 1.512 559 HA ALA 79 HA ALA 79 -15.011 -2.876 -0.156 560 1HB ALA 79 HB1 ALA 79 -17.117 -4.586 0.976 561 2HB ALA 79 HB2 ALA 79 -17.190 -3.485 -0.400 562 3HB ALA 79 HB3 ALA 79 -17.394 -2.864 1.238 563 H GLU 80 HN GLU 80 -13.109 -2.986 1.867 564 HA GLU 80 HA GLU 80 -14.247 -1.630 4.257 565 1HB GLU 80 HB2 GLU 80 -11.326 -2.113 3.772 566 2HB GLU 80 HB1 GLU 80 -12.227 -2.195 5.283 567 1HG GLU 80 HG2 GLU 80 -12.317 -4.195 3.013 568 2HG GLU 80 HG1 GLU 80 -11.616 -4.441 4.610 569 H ILE 81 HN ILE 81 -12.446 0.130 5.020 570 HA ILE 81 HA ILE 81 -12.804 2.502 3.585 571 HB ILE 81 HB ILE 81 -11.852 2.155 5.874 572 1HG1 ILE 81 HG12 ILE 81 -11.522 4.283 4.420 573 2HG1 ILE 81 HG11 ILE 81 -10.506 4.093 5.846 574 1HG2 ILE 81 HG21 ILE 81 -9.307 1.463 4.395 575 2HG2 ILE 81 HG22 ILE 81 -10.352 0.280 5.181 576 3HG2 ILE 81 HG23 ILE 81 -9.536 1.512 6.143 577 1HD1 ILE 81 HD11 ILE 81 -8.767 3.023 4.299 578 2HD1 ILE 81 HD12 ILE 81 -9.034 4.750 4.082 579 3HD1 ILE 81 HD13 ILE 81 -9.752 3.602 2.956 580 H SER 82 HN SER 82 -10.308 0.027 3.259 581 HA SER 82 HA SER 82 -9.775 0.834 0.475 582 1HB SER 82 HB2 SER 82 -7.812 1.923 0.873 583 2HB SER 82 HB1 SER 82 -8.385 2.055 2.533 584 HG SER 82 HG SER 82 -6.539 1.011 2.823 585 HA PRO 83 HA PRO 83 -8.427 -3.336 0.176 586 1HB PRO 83 HB2 PRO 83 -6.050 -3.286 -1.171 587 2HB PRO 83 HB1 PRO 83 -7.604 -2.914 -1.944 588 1HG PRO 83 HG2 PRO 83 -5.464 -1.086 -1.023 589 2HG PRO 83 HG1 PRO 83 -6.553 -0.943 -2.409 590 1HD PRO 83 HD2 PRO 83 -6.847 0.418 -0.021 591 2HD PRO 83 HD1 PRO 83 -8.150 0.121 -1.191 592 H TRP 84 HN TRP 84 -6.927 -4.968 1.001 593 HA TRP 84 HA TRP 84 -4.864 -3.940 2.913 594 1HB TRP 84 HB2 TRP 84 -5.765 -5.894 4.384 595 2HB TRP 84 HB1 TRP 84 -6.726 -4.420 4.294 596 HD1 TRP 84 HD1 TRP 84 -8.731 -4.471 2.353 597 HE1 TRP 84 HE1 TRP 84 -10.284 -6.427 1.720 598 HE3 TRP 84 HE3 TRP 84 -6.048 -8.381 4.252 599 HZ2 TRP 84 HZ2 TRP 84 -10.379 -9.272 1.984 600 HZ3 TRP 84 HZ3 TRP 84 -6.895 -10.701 4.048 601 HH2 TRP 84 HH2 TRP 84 -9.056 -11.151 2.918 602 H CYS 85 HN CYS 85 -3.791 -6.264 3.811 603 HA CYS 85 HA CYS 85 -3.536 -8.322 1.781 604 1HB CYS 85 HB2 CYS 85 -1.185 -7.633 1.142 605 2HB CYS 85 HB1 CYS 85 -2.439 -6.527 0.586 606 H TYR 86 HN TYR 86 -2.500 -10.108 2.668 607 HA TYR 86 HA TYR 86 -2.045 -10.383 5.429 608 1HB TYR 86 HB2 TYR 86 -0.553 -11.813 3.208 609 2HB TYR 86 HB1 TYR 86 -0.978 -12.459 4.793 610 HD1 TYR 86 HD1 TYR 86 -1.765 -13.073 1.629 611 HD2 TYR 86 HD2 TYR 86 -3.751 -11.599 5.142 612 HE1 TYR 86 HE1 TYR 86 -3.941 -13.852 0.729 613 HE2 TYR 86 HE2 TYR 86 -5.925 -12.378 4.242 614 HH TYR 86 HH TYR 86 -6.136 -13.922 1.035 615 H THR 87 HN THR 87 0.427 -11.120 6.130 616 HA THR 87 HA THR 87 2.183 -8.804 5.364 617 HB THR 87 HB THR 87 3.095 -9.736 7.785 618 HG1 THR 87 HG1 THR 87 1.534 -11.018 8.372 619 1HG2 THR 87 HG21 THR 87 2.165 -7.398 6.778 620 2HG2 THR 87 HG22 THR 87 2.568 -7.639 8.478 621 3HG2 THR 87 HG23 THR 87 0.893 -7.772 7.941 622 H MET 88 HN MET 88 4.186 -9.319 4.582 623 HA MET 88 HA MET 88 4.900 -12.018 3.911 624 1HB MET 88 HB2 MET 88 5.740 -9.340 3.444 625 2HB MET 88 HB1 MET 88 7.153 -10.236 4.003 626 1HG MET 88 HG2 MET 88 5.632 -11.840 2.139 627 2HG MET 88 HG1 MET 88 6.029 -10.281 1.417 628 1HE MET 88 HE1 MET 88 9.378 -9.963 3.099 629 2HE MET 88 HE2 MET 88 8.052 -9.166 2.256 630 3HE MET 88 HE3 MET 88 9.453 -9.726 1.347 631 H ASP 89 HN ASP 89 4.880 -10.661 6.979 632 HA ASP 89 HA ASP 89 7.307 -12.176 7.828 633 1HB ASP 89 HB2 ASP 89 5.817 -9.759 8.865 634 2HB ASP 89 HB1 ASP 89 6.955 -10.639 9.886 635 HA PRO 90 HA PRO 90 4.578 -14.933 9.895 636 1HB PRO 90 HB2 PRO 90 6.383 -16.031 11.632 637 2HB PRO 90 HB1 PRO 90 6.365 -16.407 9.897 638 1HG PRO 90 HG2 PRO 90 8.154 -14.591 11.420 639 2HG PRO 90 HG1 PRO 90 8.513 -15.628 10.032 640 1HD PRO 90 HD2 PRO 90 8.114 -12.903 9.884 641 2HD PRO 90 HD1 PRO 90 7.897 -14.027 8.525 642 H ASN 91 HN ASN 91 5.607 -12.098 11.167 643 HA ASN 91 HA ASN 91 4.677 -12.687 13.943 644 1HB ASN 91 HB2 ASN 91 5.843 -10.632 14.498 645 2HB ASN 91 HB1 ASN 91 6.906 -11.585 13.462 646 1HD2 ASN 91 HD21 ASN 91 6.892 -8.619 13.765 647 2HD2 ASN 91 HD22 ASN 91 6.585 -7.995 12.217 648 H VAL 92 HN VAL 92 3.521 -11.568 10.990 649 HA VAL 92 HA VAL 92 1.342 -10.029 12.363 650 HB VAL 92 HB VAL 92 2.770 -9.416 9.746 651 1HG1 VAL 92 HG11 VAL 92 1.414 -7.261 9.979 652 2HG1 VAL 92 HG12 VAL 92 0.467 -8.096 11.211 653 3HG1 VAL 92 HG13 VAL 92 0.489 -8.702 9.554 654 1HG2 VAL 92 HG21 VAL 92 3.680 -8.929 12.287 655 2HG2 VAL 92 HG22 VAL 92 2.752 -7.464 11.972 656 3HG2 VAL 92 HG23 VAL 92 4.066 -7.925 10.890 657 H ARG 93 HN ARG 93 -0.731 -10.541 11.593 658 HA ARG 93 HA ARG 93 -0.990 -12.849 9.845 659 1HB ARG 93 HB2 ARG 93 -2.349 -12.303 11.928 660 2HB ARG 93 HB1 ARG 93 -3.137 -11.044 10.975 661 1HG ARG 93 HG2 ARG 93 -3.504 -13.010 9.250 662 2HG ARG 93 HG1 ARG 93 -3.302 -14.023 10.679 663 1HD ARG 93 HD2 ARG 93 -5.025 -11.982 11.527 664 2HD ARG 93 HD1 ARG 93 -5.597 -12.409 9.902 665 HE ARG 93 HE ARG 93 -5.845 -14.095 12.200 666 1HH1 ARG 93 HH21 ARG 93 -7.353 -14.511 9.647 667 2HH1 ARG 93 HH22 ARG 93 -6.683 -15.999 9.067 668 1HH2 ARG 93 HH11 ARG 93 -3.903 -15.863 11.135 669 2HH2 ARG 93 HH12 ARG 93 -4.732 -16.764 9.909 670 H TRP 94 HN TRP 94 -2.160 -9.476 9.778 671 HA TRP 94 HA TRP 94 -1.715 -9.297 6.882 672 1HB TRP 94 HB2 TRP 94 -4.054 -9.084 6.307 673 2HB TRP 94 HB1 TRP 94 -3.888 -10.561 7.257 674 HD1 TRP 94 HD1 TRP 94 -4.661 -10.451 9.842 675 HE1 TRP 94 HE1 TRP 94 -6.402 -8.950 11.010 676 HE3 TRP 94 HE3 TRP 94 -5.154 -6.778 6.330 677 HZ2 TRP 94 HZ2 TRP 94 -7.817 -6.512 10.518 678 HZ3 TRP 94 HZ3 TRP 94 -6.702 -4.881 6.704 679 HH2 TRP 94 HH2 TRP 94 -8.033 -4.742 8.791 680 H GLU 95 HN GLU 95 -2.534 -7.040 6.117 681 HA GLU 95 HA GLU 95 -2.861 -5.051 8.279 682 1HB GLU 95 HB2 GLU 95 -0.326 -5.847 7.485 683 2HB GLU 95 HB1 GLU 95 -0.598 -4.385 6.537 684 1HG GLU 95 HG2 GLU 95 0.416 -3.801 8.689 685 2HG GLU 95 HG1 GLU 95 -1.235 -3.183 8.617 686 H TYR 96 HN TYR 96 -3.536 -2.996 7.460 687 HA TYR 96 HA TYR 96 -4.899 -3.065 4.892 688 1HB TYR 96 HB2 TYR 96 -4.592 -1.319 7.258 689 2HB TYR 96 HB1 TYR 96 -4.912 -0.458 5.753 690 HD1 TYR 96 HD1 TYR 96 -6.572 -1.503 8.475 691 HD2 TYR 96 HD2 TYR 96 -6.647 -2.176 4.234 692 HE1 TYR 96 HE1 TYR 96 -8.965 -2.139 8.619 693 HE2 TYR 96 HE2 TYR 96 -9.040 -2.813 4.377 694 HH TYR 96 HH TYR 96 -10.638 -3.606 5.989 695 H CYS 97 HN CYS 97 -4.502 -1.187 3.295 696 HA CYS 97 HA CYS 97 -1.553 -0.934 2.856 697 1HB CYS 97 HB2 CYS 97 -3.990 -0.795 1.066 698 2HB CYS 97 HB1 CYS 97 -2.354 -0.457 0.499 699 H ASN 98 HN ASN 98 -0.622 1.094 2.645 700 HA ASN 98 HA ASN 98 -1.817 3.397 3.807 701 1HB ASN 98 HB2 ASN 98 0.567 2.667 2.233 702 2HB ASN 98 HB1 ASN 98 0.090 4.357 2.070 703 1HD2 ASN 98 HD21 ASN 98 2.458 4.047 3.373 704 2HD2 ASN 98 HD22 ASN 98 2.283 4.247 5.049 705 H LEU 99 HN LEU 99 -3.976 3.450 2.684 706 HA LEU 99 HA LEU 99 -3.749 4.942 0.103 707 1HB LEU 99 HB2 LEU 99 -5.557 2.603 0.778 708 2HB LEU 99 HB1 LEU 99 -5.698 3.573 -0.689 709 HG LEU 99 HG LEU 99 -3.113 2.222 0.100 710 1HD1 LEU 99 HD11 LEU 99 -5.240 1.163 -1.782 711 2HD1 LEU 99 HD12 LEU 99 -4.961 0.551 -0.151 712 3HD1 LEU 99 HD13 LEU 99 -3.706 0.389 -1.380 713 1HD2 LEU 99 HD21 LEU 99 -4.138 3.828 -2.160 714 2HD2 LEU 99 HD22 LEU 99 -3.228 2.392 -2.628 715 3HD2 LEU 99 HD23 LEU 99 -2.482 3.611 -1.595 716 H THR 100 HN THR 100 -5.101 6.689 0.003 717 HA THR 100 HA THR 100 -7.024 7.090 2.257 718 HB THR 100 HB THR 100 -6.590 9.448 1.896 719 HG1 THR 100 HG1 THR 100 -5.680 10.169 0.116 720 1HG2 THR 100 HG21 THR 100 -4.929 8.289 3.244 721 2HG2 THR 100 HG22 THR 100 -4.118 9.496 2.244 722 3HG2 THR 100 HG23 THR 100 -4.058 7.791 1.793 723 H GLN 101 HN GLN 101 -9.052 8.190 1.677 724 HA GLN 101 HA GLN 101 -10.284 7.144 -0.716 725 1HB GLN 101 HB2 GLN 101 -11.186 7.951 1.646 726 2HB GLN 101 HB1 GLN 101 -11.353 9.496 0.812 727 1HG GLN 101 HG2 GLN 101 -12.993 8.713 -0.607 728 2HG GLN 101 HG1 GLN 101 -12.368 7.063 -0.586 729 1HE2 GLN 101 HE21 GLN 101 -13.134 5.627 1.067 730 2HE2 GLN 101 HE22 GLN 101 -14.357 6.059 2.162 731 H CYS 102 HN CYS 102 -8.847 7.977 -2.436 732 HA CYS 102 HA CYS 102 -7.992 10.510 -2.972 733 1HB CYS 102 HB2 CYS 102 -8.634 8.120 -4.401 734 2HB CYS 102 HB1 CYS 102 -9.166 9.498 -5.367 735 HA PRO 103 HA PRO 103 -12.221 11.853 -4.757 736 1HB PRO 103 HB2 PRO 103 -14.397 10.275 -4.249 737 2HB PRO 103 HB1 PRO 103 -13.358 10.066 -5.672 738 1HG PRO 103 HG2 PRO 103 -13.428 8.521 -3.137 739 2HG PRO 103 HG1 PRO 103 -13.137 7.966 -4.792 740 1HD PRO 103 HD2 PRO 103 -11.167 8.355 -2.928 741 2HD PRO 103 HD1 PRO 103 -10.904 8.415 -4.684 742 H VAL 104 HN VAL 104 -14.119 10.131 -2.375 743 HA VAL 104 HA VAL 104 -14.887 12.507 -0.980 744 HB VAL 104 HB VAL 104 -14.942 9.590 -0.139 745 1HG1 VAL 104 HG11 VAL 104 -16.961 10.379 1.166 746 2HG1 VAL 104 HG12 VAL 104 -16.477 12.033 0.789 747 3HG1 VAL 104 HG13 VAL 104 -15.422 11.004 1.757 748 1HG2 VAL 104 HG21 VAL 104 -17.007 11.270 -1.600 749 2HG2 VAL 104 HG22 VAL 104 -17.182 9.576 -1.142 750 3HG2 VAL 104 HG23 VAL 104 -15.988 10.043 -2.353 751 H THR 105 HN THR 105 -14.536 12.731 1.474 752 HA THR 105 HA THR 105 -11.917 11.760 2.461 753 HB THR 105 HB THR 105 -12.633 14.649 1.890 754 HG1 THR 105 HG1 THR 105 -10.916 12.735 0.839 755 1HG2 THR 105 HG21 THR 105 -10.818 13.461 3.873 756 2HG2 THR 105 HG22 THR 105 -11.450 15.104 3.769 757 3HG2 THR 105 HG23 THR 105 -10.041 14.639 2.815 758 H GLU 106 HN GLU 106 -12.691 10.943 4.407 759 HA GLU 106 HA GLU 106 -13.873 10.874 6.466 760 1HB GLU 106 HB2 GLU 106 -12.033 12.880 6.341 761 2HB GLU 106 HB1 GLU 106 -13.483 13.802 6.739 762 1HG GLU 106 HG2 GLU 106 -13.597 12.945 8.837 763 2HG GLU 106 HG1 GLU 106 -13.188 11.318 8.290 764 H SER 107 HN SER 107 -16.022 10.527 5.553 765 HA SER 107 HA SER 107 -17.687 12.897 4.954 766 1HB SER 107 HB2 SER 107 -18.470 9.976 5.077 767 2HB SER 107 HB1 SER 107 -19.236 11.258 4.143 768 HG SER 107 HG SER 107 -17.447 9.656 3.268 769 H SER 108 HN SER 108 -18.219 13.951 6.884 770 HA SER 108 HA SER 108 -19.546 12.280 8.997 771 1HB SER 108 HB2 SER 108 -17.256 13.314 9.478 772 2HB SER 108 HB1 SER 108 -18.047 14.885 9.381 773 HG SER 108 HG SER 108 -18.043 14.171 11.515 774 H VAL 109 HN VAL 109 -19.284 15.765 8.173 775 HA VAL 109 HA VAL 109 -22.151 16.122 8.815 776 HB VAL 109 HB VAL 109 -21.580 18.468 8.722 777 1HG1 VAL 109 HG11 VAL 109 -19.101 17.076 9.760 778 2HG1 VAL 109 HG12 VAL 109 -20.644 17.027 10.612 779 3HG1 VAL 109 HG13 VAL 109 -19.830 18.570 10.350 780 1HG2 VAL 109 HG21 VAL 109 -19.631 17.498 6.798 781 2HG2 VAL 109 HG22 VAL 109 -18.862 18.538 7.997 782 3HG2 VAL 109 HG23 VAL 109 -20.221 19.142 7.048 783 H LEU 110 HN LEU 110 -23.438 17.519 7.209 784 HA LEU 110 HA LEU 110 -22.660 17.058 4.365 785 1HB LEU 110 HB2 LEU 110 -25.130 16.086 5.818 786 2HB LEU 110 HB1 LEU 110 -25.077 16.229 4.061 787 HG LEU 110 HG LEU 110 -23.179 14.578 5.758 788 1HD1 LEU 110 HD11 LEU 110 -24.276 12.663 4.633 789 2HD1 LEU 110 HD12 LEU 110 -25.384 13.778 3.832 790 3HD1 LEU 110 HD13 LEU 110 -25.431 13.596 5.586 791 1HD2 LEU 110 HD21 LEU 110 -23.322 15.244 2.822 792 2HD2 LEU 110 HD22 LEU 110 -22.623 13.715 3.353 793 3HD2 LEU 110 HD23 LEU 110 -21.916 15.240 3.887 794 H ALA 111 HN ALA 111 -22.376 19.466 4.558 795 HA ALA 111 HA ALA 111 -24.861 21.044 4.924 796 1HB ALA 111 HB1 ALA 111 -22.026 21.380 5.240 797 2HB ALA 111 HB2 ALA 111 -23.315 22.476 5.737 798 3HB ALA 111 HB3 ALA 111 -22.617 22.611 4.123 799 H THR 112 HN THR 112 -26.122 21.475 3.157 800 HA THR 112 HA THR 112 -24.916 21.239 0.437 801 HB THR 112 HB THR 112 -26.902 19.892 1.021 802 HG1 THR 112 HG1 THR 112 -26.579 21.210 -1.079 803 1HG2 THR 112 HG21 THR 112 -27.668 22.276 2.346 804 2HG2 THR 112 HG22 THR 112 -28.547 20.749 2.289 805 3HG2 THR 112 HG23 THR 112 -28.864 21.993 1.081 806 H SER 113 HN SER 113 -25.201 23.639 2.594 807 HA SER 113 HA SER 113 -26.678 25.747 1.469 808 1HB SER 113 HB2 SER 113 -25.589 25.878 3.628 809 2HB SER 113 HB1 SER 113 -24.002 25.666 2.895 810 HG SER 113 HG SER 113 -23.988 27.708 2.365 811 H THR 114 HN THR 114 -25.633 27.717 0.336 812 HA THR 114 HA THR 114 -23.805 26.761 -1.846 813 HB THR 114 HB THR 114 -25.554 29.103 -2.301 814 HG1 THR 114 HG1 THR 114 -26.870 26.675 -2.462 815 1HG2 THR 114 HG21 THR 114 -25.435 28.372 -4.450 816 2HG2 THR 114 HG22 THR 114 -25.710 26.690 -3.995 817 3HG2 THR 114 HG23 THR 114 -24.098 27.391 -3.850 818 H ALA 115 HN ALA 115 -24.561 29.308 0.462 819 HA ALA 115 HA ALA 115 -22.520 31.153 -0.563 820 1HB ALA 115 HB1 ALA 115 -23.338 31.820 2.063 821 2HB ALA 115 HB2 ALA 115 -24.748 31.111 1.278 822 3HB ALA 115 HB3 ALA 115 -23.944 32.504 0.555 823 H VAL 116 HN VAL 116 -22.094 28.273 0.819 824 HA VAL 116 HA VAL 116 -20.210 29.044 2.967 825 HB VAL 116 HB VAL 116 -21.840 27.101 3.033 826 1HG1 VAL 116 HG11 VAL 116 -21.743 25.419 1.507 827 2HG1 VAL 116 HG12 VAL 116 -19.980 25.409 1.495 828 3HG1 VAL 116 HG13 VAL 116 -20.861 26.583 0.518 829 1HG2 VAL 116 HG21 VAL 116 -19.003 27.143 3.716 830 2HG2 VAL 116 HG22 VAL 116 -19.591 25.499 3.471 831 3HG2 VAL 116 HG23 VAL 116 -20.368 26.546 4.659 832 H SER 117 HN SER 117 -20.017 28.965 -0.337 833 HA SER 117 HA SER 117 -17.317 27.728 -0.475 834 1HB SER 117 HB2 SER 117 -19.528 27.818 -2.139 835 2HB SER 117 HB1 SER 117 -18.451 29.006 -2.867 836 HG SER 117 HG SER 117 -18.289 26.314 -2.858 837 H GLU 118 HN GLU 118 -15.615 29.070 -0.023 838 HA GLU 118 HA GLU 118 -15.286 31.607 -1.401 839 1HB GLU 118 HB2 GLU 118 -15.458 33.027 0.608 840 2HB GLU 118 HB1 GLU 118 -16.976 32.171 0.334 841 1HG GLU 118 HG2 GLU 118 -15.840 30.349 1.894 842 2HG GLU 118 HG1 GLU 118 -14.915 31.740 2.461 843 H GLN 119 HN GLN 119 -13.344 30.138 -1.796 844 HA GLN 119 HA GLN 119 -11.300 30.579 0.351 845 1HB GLN 119 HB2 GLN 119 -12.486 28.154 -0.386 846 2HB GLN 119 HB1 GLN 119 -10.928 28.144 -1.214 847 1HG GLN 119 HG2 GLN 119 -11.331 28.696 1.742 848 2HG GLN 119 HG1 GLN 119 -10.751 27.175 1.061 849 1HE2 GLN 119 HE21 GLN 119 -9.868 30.541 1.702 850 2HE2 GLN 119 HE22 GLN 119 -8.221 30.365 1.333 Start of MODEL 6 1 1H ALA 1 HT1 ALA 1 29.141 11.986 -2.275 2 2H ALA 1 HT2 ALA 1 28.989 11.876 -0.586 3 3H ALA 1 HT3 ALA 1 28.825 10.486 -1.550 4 HA ALA 1 HA ALA 1 31.262 11.197 -2.295 5 1HB ALA 1 HB1 ALA 1 31.140 11.994 0.610 6 2HB ALA 1 HB2 ALA 1 30.798 13.176 -0.653 7 3HB ALA 1 HB3 ALA 1 32.373 12.387 -0.587 8 H ARG 2 HN ARG 2 30.258 10.347 1.040 9 HA ARG 2 HA ARG 2 31.518 7.658 0.625 10 1HB ARG 2 HB2 ARG 2 31.861 9.700 2.540 11 2HB ARG 2 HB1 ARG 2 30.983 8.417 3.373 12 1HG ARG 2 HG2 ARG 2 32.757 7.001 3.316 13 2HG ARG 2 HG1 ARG 2 33.177 7.450 1.663 14 1HD ARG 2 HD2 ARG 2 33.744 9.757 3.131 15 2HD ARG 2 HD1 ARG 2 34.306 8.432 4.169 16 HE ARG 2 HE ARG 2 35.414 7.556 1.979 17 1HH1 ARG 2 HH21 ARG 2 34.557 9.958 0.370 18 2HH1 ARG 2 HH22 ARG 2 35.973 10.953 0.441 19 1HH2 ARG 2 HH11 ARG 2 37.376 9.229 3.102 20 2HH2 ARG 2 HH12 ARG 2 37.568 10.540 1.987 21 H ILE 3 HN ILE 3 29.122 8.932 2.953 22 HA ILE 3 HA ILE 3 27.584 6.458 2.887 23 HB ILE 3 HB ILE 3 27.208 9.210 4.101 24 1HG1 ILE 3 HG12 ILE 3 27.475 6.878 5.848 25 2HG1 ILE 3 HG11 ILE 3 28.863 7.074 4.777 26 1HG2 ILE 3 HG21 ILE 3 25.044 8.662 4.420 27 2HG2 ILE 3 HG22 ILE 3 25.603 7.360 5.469 28 3HG2 ILE 3 HG23 ILE 3 25.296 7.046 3.761 29 1HD1 ILE 3 HD11 ILE 3 29.194 9.355 5.523 30 2HD1 ILE 3 HD12 ILE 3 29.084 8.323 6.948 31 3HD1 ILE 3 HD13 ILE 3 27.704 9.308 6.465 32 H HIS 4 HN HIS 4 25.607 6.098 1.830 33 HA HIS 4 HA HIS 4 23.986 6.382 0.129 34 1HB HIS 4 HB2 HIS 4 24.114 8.717 1.887 35 2HB HIS 4 HB1 HIS 4 23.452 9.114 0.300 36 HD1 HIS 4 HD1 HIS 4 20.972 9.155 0.713 37 HD2 HIS 4 HD2 HIS 4 22.767 5.758 2.333 38 HE1 HIS 4 HE1 HIS 4 19.091 7.684 1.554 39 H HIS 5 HN HIS 5 23.465 8.406 -1.656 40 HA HIS 5 HA HIS 5 24.245 9.274 -3.716 41 1HB HIS 5 HB2 HIS 5 26.034 10.056 -1.523 42 2HB HIS 5 HB1 HIS 5 26.817 10.113 -3.101 43 HD1 HIS 5 HD1 HIS 5 25.517 12.495 -1.122 44 HD2 HIS 5 HD2 HIS 5 24.272 11.222 -4.891 45 HE1 HIS 5 HE1 HIS 5 24.181 14.403 -2.117 46 H HIS 6 HN HIS 6 24.520 7.514 -5.113 47 HA HIS 6 HA HIS 6 27.259 6.308 -5.184 48 1HB HIS 6 HB2 HIS 6 24.960 5.077 -4.223 49 2HB HIS 6 HB1 HIS 6 25.075 4.485 -5.881 50 HD1 HIS 6 HD1 HIS 6 27.883 5.268 -3.425 51 HD2 HIS 6 HD2 HIS 6 26.351 2.044 -5.577 52 HE1 HIS 6 HE1 HIS 6 29.469 3.332 -3.040 53 H HIS 7 HN HIS 7 24.149 6.132 -6.978 54 HA HIS 7 HA HIS 7 25.659 6.868 -9.460 55 1HB HIS 7 HB2 HIS 7 24.583 4.351 -8.723 56 2HB HIS 7 HB1 HIS 7 23.516 5.000 -9.969 57 HD1 HIS 7 HD1 HIS 7 25.052 2.682 -10.943 58 HD2 HIS 7 HD2 HIS 7 26.717 6.503 -10.974 59 HE1 HIS 7 HE1 HIS 7 26.914 2.639 -12.660 60 H HIS 8 HN HIS 8 24.308 8.856 -8.227 61 HA HIS 8 HA HIS 8 22.617 10.463 -8.606 62 1HB HIS 8 HB2 HIS 8 23.172 9.049 -11.026 63 2HB HIS 8 HB1 HIS 8 21.433 9.331 -10.956 64 HD1 HIS 8 HD1 HIS 8 20.659 11.864 -10.663 65 HD2 HIS 8 HD2 HIS 8 24.708 11.346 -11.509 66 HE1 HIS 8 HE1 HIS 8 21.536 14.129 -11.381 67 H HIS 9 HN HIS 9 22.004 8.109 -6.964 68 HA HIS 9 HA HIS 9 20.077 7.238 -5.896 69 1HB HIS 9 HB2 HIS 9 19.442 9.724 -6.863 70 2HB HIS 9 HB1 HIS 9 18.227 8.723 -7.658 71 HD1 HIS 9 HD1 HIS 9 16.418 9.847 -6.068 72 HD2 HIS 9 HD2 HIS 9 19.279 7.531 -4.111 73 HE1 HIS 9 HE1 HIS 9 15.527 9.428 -3.734 74 H ILE 10 HN ILE 10 17.502 6.841 -7.263 75 HA ILE 10 HA ILE 10 18.133 5.124 -9.596 76 HB ILE 10 HB ILE 10 18.580 3.763 -7.574 77 1HG1 ILE 10 HG12 ILE 10 17.178 1.875 -8.162 78 2HG1 ILE 10 HG11 ILE 10 15.973 2.940 -8.888 79 1HG2 ILE 10 HG21 ILE 10 16.556 5.201 -6.433 80 2HG2 ILE 10 HG22 ILE 10 17.174 3.683 -5.782 81 3HG2 ILE 10 HG23 ILE 10 15.729 3.685 -6.793 82 1HD1 ILE 10 HD11 ILE 10 17.421 3.526 -10.685 83 2HD1 ILE 10 HD12 ILE 10 17.588 1.778 -10.508 84 3HD1 ILE 10 HD13 ILE 10 18.831 2.852 -9.866 85 H GLU 11 HN GLU 11 16.655 6.359 -10.840 86 HA GLU 11 HA GLU 11 13.859 6.610 -9.828 87 1HB GLU 11 HB2 GLU 11 15.221 7.803 -12.265 88 2HB GLU 11 HB1 GLU 11 13.674 8.298 -11.578 89 1HG GLU 11 HG2 GLU 11 16.373 8.492 -10.208 90 2HG GLU 11 HG1 GLU 11 15.441 9.841 -10.859 91 H GLY 12 HN GLY 12 13.180 4.409 -10.229 92 1HA GLY 12 HA2 GLY 12 12.271 3.932 -12.946 93 2HA GLY 12 HA1 GLY 12 13.570 2.832 -12.481 94 H ARG 13 HN ARG 13 10.701 4.163 -10.802 95 HA ARG 13 HA ARG 13 9.992 1.344 -10.045 96 1HB ARG 13 HB2 ARG 13 10.560 3.735 -8.516 97 2HB ARG 13 HB1 ARG 13 8.918 3.182 -8.186 98 1HG ARG 13 HG2 ARG 13 9.692 0.996 -7.556 99 2HG ARG 13 HG1 ARG 13 11.322 1.343 -8.136 100 1HD ARG 13 HD2 ARG 13 11.620 1.754 -5.863 101 2HD ARG 13 HD1 ARG 13 11.093 3.368 -6.382 102 HE ARG 13 HE ARG 13 8.829 1.654 -5.810 103 1HH1 ARG 13 HH11 ARG 13 8.922 4.553 -5.116 104 2HH1 ARG 13 HH12 ARG 13 9.062 4.517 -3.390 105 1HH2 ARG 13 HH21 ARG 13 10.039 1.190 -3.275 106 2HH2 ARG 13 HH22 ARG 13 9.695 2.612 -2.347 107 H ALA 14 HN ALA 14 7.688 0.919 -9.900 108 HA ALA 14 HA ALA 14 6.074 2.175 -11.916 109 1HB ALA 14 HB1 ALA 14 5.226 0.105 -11.499 110 2HB ALA 14 HB2 ALA 14 4.360 0.871 -10.167 111 3HB ALA 14 HB3 ALA 14 5.905 0.072 -9.871 112 HA PRO 15 HA PRO 15 3.807 4.323 -8.305 113 1HB PRO 15 HB2 PRO 15 4.804 4.018 -5.776 114 2HB PRO 15 HB1 PRO 15 3.627 2.896 -6.489 115 1HG PRO 15 HG2 PRO 15 6.567 2.599 -6.163 116 2HG PRO 15 HG1 PRO 15 5.285 1.387 -6.018 117 1HD PRO 15 HD2 PRO 15 6.905 1.652 -8.214 118 2HD PRO 15 HD1 PRO 15 5.274 0.946 -8.256 119 H THR 16 HN THR 16 4.347 6.470 -8.512 120 HA THR 16 HA THR 16 7.092 7.392 -8.569 121 HB THR 16 HB THR 16 5.224 8.376 -9.860 122 HG1 THR 16 HG1 THR 16 6.350 10.123 -9.735 123 1HG2 THR 16 HG21 THR 16 3.306 9.178 -8.907 124 2HG2 THR 16 HG22 THR 16 4.145 9.765 -7.470 125 3HG2 THR 16 HG23 THR 16 3.744 8.054 -7.621 126 H GLU 17 HN GLU 17 4.565 7.306 -6.101 127 HA GLU 17 HA GLU 17 5.640 9.162 -4.260 128 1HB GLU 17 HB2 GLU 17 4.136 6.578 -3.761 129 2HB GLU 17 HB1 GLU 17 4.209 7.961 -2.669 130 1HG GLU 17 HG2 GLU 17 3.407 8.950 -5.212 131 2HG GLU 17 HG1 GLU 17 2.422 7.525 -4.874 132 H GLN 18 HN GLN 18 7.786 9.034 -3.626 133 HA GLN 18 HA GLN 18 9.333 6.655 -3.483 134 1HB GLN 18 HB2 GLN 18 9.740 9.355 -3.392 135 2HB GLN 18 HB1 GLN 18 10.037 8.913 -1.711 136 1HG GLN 18 HG2 GLN 18 11.901 7.667 -2.221 137 2HG GLN 18 HG1 GLN 18 11.276 7.184 -3.799 138 1HE2 GLN 18 HE21 GLN 18 11.837 8.482 -5.619 139 2HE2 GLN 18 HE22 GLN 18 12.806 9.871 -5.510 140 H SER 19 HN SER 19 8.476 8.689 -0.670 141 HA SER 19 HA SER 19 8.776 6.467 1.183 142 1HB SER 19 HB2 SER 19 9.326 8.597 2.011 143 2HB SER 19 HB1 SER 19 7.914 9.350 1.273 144 HG SER 19 HG SER 19 8.051 8.696 3.704 145 HA PRO 20 HA PRO 20 4.572 5.082 0.716 146 1HB PRO 20 HB2 PRO 20 4.682 3.117 2.614 147 2HB PRO 20 HB1 PRO 20 5.400 2.941 1.001 148 1HG PRO 20 HG2 PRO 20 6.706 3.506 3.600 149 2HG PRO 20 HG1 PRO 20 7.299 2.584 2.211 150 1HD PRO 20 HD2 PRO 20 8.052 5.171 2.840 151 2HD PRO 20 HD1 PRO 20 8.213 4.420 1.238 152 H GLY 21 HN GLY 21 2.637 5.519 1.846 153 1HA GLY 21 HA2 GLY 21 1.536 5.738 4.102 154 2HA GLY 21 HA1 GLY 21 2.959 6.656 4.597 155 H VAL 22 HN VAL 22 1.474 7.000 1.427 156 HA VAL 22 HA VAL 22 0.403 9.673 2.261 157 HB VAL 22 HB VAL 22 2.069 8.928 -0.164 158 1HG1 VAL 22 HG11 VAL 22 0.344 11.271 0.473 159 2HG1 VAL 22 HG12 VAL 22 0.767 10.577 -1.093 160 3HG1 VAL 22 HG13 VAL 22 1.916 11.615 -0.249 161 1HG2 VAL 22 HG21 VAL 22 3.707 9.330 1.375 162 2HG2 VAL 22 HG22 VAL 22 2.608 10.171 2.467 163 3HG2 VAL 22 HG23 VAL 22 3.302 11.022 1.087 164 H GLN 23 HN GLN 23 -1.604 10.153 1.376 165 HA GLN 23 HA GLN 23 -3.579 9.880 0.102 166 1HB GLN 23 HB2 GLN 23 -1.330 9.031 -1.522 167 2HB GLN 23 HB1 GLN 23 -2.758 8.068 -1.902 168 1HG GLN 23 HG2 GLN 23 -4.036 9.980 -2.470 169 2HG GLN 23 HG1 GLN 23 -2.899 11.076 -1.682 170 1HE2 GLN 23 HE21 GLN 23 -2.144 8.377 -3.928 171 2HE2 GLN 23 HE22 GLN 23 -1.411 9.357 -5.104 172 H ASP 24 HN ASP 24 -3.818 8.463 2.265 173 HA ASP 24 HA ASP 24 -3.861 5.575 1.923 174 1HB ASP 24 HB2 ASP 24 -5.263 7.298 3.985 175 2HB ASP 24 HB1 ASP 24 -4.719 5.632 4.176 176 H CYS 25 HN CYS 25 -5.240 5.900 -0.190 177 HA CYS 25 HA CYS 25 -7.998 5.227 0.498 178 1HB CYS 25 HB2 CYS 25 -9.048 7.114 -0.498 179 2HB CYS 25 HB1 CYS 25 -7.744 7.785 0.477 180 H TYR 26 HN TYR 26 -9.284 5.151 -1.821 181 HA TYR 26 HA TYR 26 -7.415 4.162 -3.925 182 1HB TYR 26 HB2 TYR 26 -8.515 2.030 -4.038 183 2HB TYR 26 HB1 TYR 26 -8.147 2.311 -2.341 184 HD1 TYR 26 HD1 TYR 26 -10.900 2.940 -4.827 185 HD2 TYR 26 HD2 TYR 26 -9.847 2.005 -0.770 186 HE1 TYR 26 HE1 TYR 26 -13.297 2.669 -4.264 187 HE2 TYR 26 HE2 TYR 26 -12.243 1.732 -0.210 188 HH TYR 26 HH TYR 26 -14.386 1.148 -1.541 189 H HIS 27 HN HIS 27 -8.416 4.098 -6.047 190 HA HIS 27 HA HIS 27 -10.776 5.916 -6.250 191 1HB HIS 27 HB2 HIS 27 -8.769 6.627 -7.395 192 2HB HIS 27 HB1 HIS 27 -8.584 5.045 -8.154 193 HD1 HIS 27 HD1 HIS 27 -9.642 8.274 -9.033 194 HD2 HIS 27 HD2 HIS 27 -11.287 4.495 -9.659 195 HE1 HIS 27 HE1 HIS 27 -11.259 8.508 -10.968 196 H GLY 28 HN GLY 28 -12.711 5.096 -6.955 197 1HA GLY 28 HA2 GLY 28 -14.235 3.669 -8.054 198 2HA GLY 28 HA1 GLY 28 -12.861 2.856 -8.806 199 H ASP 29 HN ASP 29 -11.713 1.236 -7.518 200 HA ASP 29 HA ASP 29 -13.133 0.250 -5.105 201 1HB ASP 29 HB2 ASP 29 -13.000 -0.969 -7.803 202 2HB ASP 29 HB1 ASP 29 -12.784 -2.066 -6.439 203 H GLY 30 HN GLY 30 -10.335 1.243 -6.265 204 1HA GLY 30 HA2 GLY 30 -8.137 0.906 -5.474 205 2HA GLY 30 HA1 GLY 30 -8.769 -0.332 -4.383 206 H GLN 31 HN GLN 31 -10.098 -1.253 -7.174 207 HA GLN 31 HA GLN 31 -8.641 -3.579 -7.618 208 1HB GLN 31 HB2 GLN 31 -10.827 -2.627 -8.650 209 2HB GLN 31 HB1 GLN 31 -9.772 -1.908 -9.866 210 1HG GLN 31 HG2 GLN 31 -9.460 -4.819 -9.215 211 2HG GLN 31 HG1 GLN 31 -10.790 -4.312 -10.256 212 1HE2 GLN 31 HE21 GLN 31 -8.689 -5.899 -11.325 213 2HE2 GLN 31 HE22 GLN 31 -7.784 -4.954 -12.407 214 H SER 32 HN SER 32 -6.507 -3.857 -8.120 215 HA SER 32 HA SER 32 -4.433 -3.557 -9.223 216 1HB SER 32 HB2 SER 32 -6.241 -3.064 -11.076 217 2HB SER 32 HB1 SER 32 -5.724 -1.394 -10.863 218 HG SER 32 HG SER 32 -4.278 -3.635 -11.758 219 H TYR 33 HN TYR 33 -5.650 -1.640 -7.036 220 HA TYR 33 HA TYR 33 -4.810 0.973 -7.134 221 1HB TYR 33 HB2 TYR 33 -5.786 0.007 -5.165 222 2HB TYR 33 HB1 TYR 33 -4.463 -1.146 -4.999 223 HD1 TYR 33 HD1 TYR 33 -5.189 2.521 -5.021 224 HD2 TYR 33 HD2 TYR 33 -2.592 -0.626 -3.681 225 HE1 TYR 33 HE1 TYR 33 -3.955 4.144 -3.609 226 HE2 TYR 33 HE2 TYR 33 -1.360 0.997 -2.272 227 HH TYR 33 HH TYR 33 -1.815 4.398 -2.549 228 H ARG 34 HN ARG 34 -2.981 1.446 -8.406 229 HA ARG 34 HA ARG 34 -0.526 0.024 -8.456 230 1HB ARG 34 HB2 ARG 34 0.313 2.123 -9.474 231 2HB ARG 34 HB1 ARG 34 -1.273 1.687 -10.111 232 1HG ARG 34 HG2 ARG 34 -1.772 3.857 -9.606 233 2HG ARG 34 HG1 ARG 34 -2.015 3.205 -7.986 234 1HD ARG 34 HD2 ARG 34 -0.406 4.640 -7.277 235 2HD ARG 34 HD1 ARG 34 0.763 3.671 -8.196 236 HE ARG 34 HE ARG 34 -0.487 5.269 -10.108 237 1HH1 ARG 34 HH11 ARG 34 -0.340 6.902 -7.367 238 2HH1 ARG 34 HH12 ARG 34 1.004 7.926 -7.749 239 1HH2 ARG 34 HH21 ARG 34 1.947 6.093 -10.538 240 2HH2 ARG 34 HH22 ARG 34 2.299 7.467 -9.545 241 H GLY 35 HN GLY 35 -1.639 2.598 -6.277 242 1HA GLY 35 HA2 GLY 35 0.748 3.416 -5.099 243 2HA GLY 35 HA1 GLY 35 -0.755 3.251 -4.192 244 H SER 36 HN SER 36 1.844 2.679 -3.116 245 HA SER 36 HA SER 36 1.695 -0.305 -2.786 246 1HB SER 36 HB2 SER 36 4.187 0.422 -1.948 247 2HB SER 36 HB1 SER 36 3.815 -0.021 -3.612 248 HG SER 36 HG SER 36 3.803 2.593 -2.492 249 H PHE 37 HN PHE 37 -0.033 0.466 -1.123 250 HA PHE 37 HA PHE 37 1.086 1.633 1.352 251 1HB PHE 37 HB2 PHE 37 -1.242 1.996 0.144 252 2HB PHE 37 HB1 PHE 37 -1.694 0.544 1.037 253 HD1 PHE 37 HD1 PHE 37 0.514 1.408 3.263 254 HD2 PHE 37 HD2 PHE 37 -2.983 3.204 1.531 255 HE1 PHE 37 HE1 PHE 37 0.196 2.766 5.313 256 HE2 PHE 37 HE2 PHE 37 -3.300 4.560 3.582 257 HZ PHE 37 HZ PHE 37 -1.711 4.342 5.472 258 H SER 38 HN SER 38 2.501 -0.116 2.004 259 HA SER 38 HA SER 38 1.512 -2.825 2.349 260 1HB SER 38 HB2 SER 38 3.823 -2.303 3.921 261 2HB SER 38 HB1 SER 38 3.750 -3.078 2.342 262 HG SER 38 HG SER 38 4.922 -1.345 1.894 263 H THR 39 HN THR 39 -0.139 -0.800 3.779 264 HA THR 39 HA THR 39 0.334 -1.749 6.582 265 HB THR 39 HB THR 39 -1.042 0.835 5.876 266 HG1 THR 39 HG1 THR 39 1.720 0.257 5.881 267 1HG2 THR 39 HG21 THR 39 -1.150 0.196 8.188 268 2HG2 THR 39 HG22 THR 39 0.062 1.472 8.069 269 3HG2 THR 39 HG23 THR 39 0.565 -0.213 8.217 270 H THR 40 HN THR 40 -1.622 -2.228 7.779 271 HA THR 40 HA THR 40 -3.862 -3.082 6.053 272 HB THR 40 HB THR 40 -4.574 -3.861 8.501 273 HG1 THR 40 HG1 THR 40 -2.756 -2.515 9.297 274 1HG2 THR 40 HG21 THR 40 -3.690 -5.915 7.954 275 2HG2 THR 40 HG22 THR 40 -2.129 -5.239 7.490 276 3HG2 THR 40 HG23 THR 40 -3.506 -5.112 6.395 277 H VAL 41 HN VAL 41 -6.125 -2.739 7.122 278 HA VAL 41 HA VAL 41 -6.709 0.079 7.158 279 HB VAL 41 HB VAL 41 -8.167 -2.501 7.717 280 1HG1 VAL 41 HG11 VAL 41 -9.316 -1.103 9.232 281 2HG1 VAL 41 HG12 VAL 41 -10.257 -0.955 7.747 282 3HG1 VAL 41 HG13 VAL 41 -9.125 0.318 8.204 283 1HG2 VAL 41 HG21 VAL 41 -8.666 -0.306 5.688 284 2HG2 VAL 41 HG22 VAL 41 -9.328 -1.941 5.680 285 3HG2 VAL 41 HG23 VAL 41 -7.608 -1.683 5.385 286 H THR 42 HN THR 42 -6.325 -2.359 9.721 287 HA THR 42 HA THR 42 -7.176 -0.595 11.869 288 HB THR 42 HB THR 42 -5.683 -3.222 11.677 289 HG1 THR 42 HG1 THR 42 -7.928 -3.155 11.185 290 1HG2 THR 42 HG21 THR 42 -4.948 -2.041 13.708 291 2HG2 THR 42 HG22 THR 42 -5.979 -3.411 14.120 292 3HG2 THR 42 HG23 THR 42 -6.630 -1.772 14.166 293 H GLY 43 HN GLY 43 -4.415 -0.615 9.945 294 1HA GLY 43 HA2 GLY 43 -2.659 1.030 10.232 295 2HA GLY 43 HA1 GLY 43 -2.964 1.008 11.969 296 H ARG 44 HN ARG 44 -3.066 -2.145 11.232 297 HA ARG 44 HA ARG 44 -0.453 -2.716 12.337 298 1HB ARG 44 HB2 ARG 44 -2.905 -4.004 11.882 299 2HB ARG 44 HB1 ARG 44 -1.737 -4.899 10.909 300 1HG ARG 44 HG2 ARG 44 -0.316 -4.554 13.211 301 2HG ARG 44 HG1 ARG 44 -1.956 -4.672 13.850 302 1HD ARG 44 HD2 ARG 44 -0.690 -6.677 11.946 303 2HD ARG 44 HD1 ARG 44 -0.909 -6.918 13.691 304 HE ARG 44 HE ARG 44 -2.999 -7.136 11.709 305 1HH1 ARG 44 HH21 ARG 44 -2.386 -7.599 14.906 306 2HH1 ARG 44 HH22 ARG 44 -3.936 -7.096 15.493 307 1HH2 ARG 44 HH11 ARG 44 -4.962 -5.799 12.443 308 2HH2 ARG 44 HH12 ARG 44 -5.396 -6.075 14.097 309 H THR 45 HN THR 45 0.489 -4.816 10.812 310 HA THR 45 HA THR 45 1.184 -3.522 8.192 311 HB THR 45 HB THR 45 2.886 -5.026 10.204 312 HG1 THR 45 HG1 THR 45 3.461 -3.100 10.755 313 1HG2 THR 45 HG21 THR 45 3.453 -5.668 7.875 314 2HG2 THR 45 HG22 THR 45 4.741 -4.733 8.634 315 3HG2 THR 45 HG23 THR 45 3.659 -3.963 7.472 316 H CYS 46 HN CYS 46 0.632 -4.831 6.488 317 HA CYS 46 HA CYS 46 -0.406 -7.468 6.885 318 1HB CYS 46 HB2 CYS 46 0.579 -6.312 4.278 319 2HB CYS 46 HB1 CYS 46 -0.756 -7.431 4.534 320 H GLN 47 HN GLN 47 0.525 -9.460 5.930 321 HA GLN 47 HA GLN 47 3.446 -9.578 6.368 322 1HB GLN 47 HB2 GLN 47 2.104 -11.256 7.420 323 2HB GLN 47 HB1 GLN 47 1.225 -11.586 5.931 324 1HG GLN 47 HG2 GLN 47 2.808 -13.357 6.170 325 2HG GLN 47 HG1 GLN 47 3.460 -12.288 4.927 326 1HE2 GLN 47 HE21 GLN 47 5.712 -12.548 5.295 327 2HE2 GLN 47 HE22 GLN 47 6.468 -12.187 6.772 328 H SER 48 HN SER 48 4.925 -10.091 4.706 329 HA SER 48 HA SER 48 4.670 -9.320 2.085 330 1HB SER 48 HB2 SER 48 6.113 -11.738 3.211 331 2HB SER 48 HB1 SER 48 6.464 -11.005 1.648 332 HG SER 48 HG SER 48 6.538 -9.003 3.213 333 H TRP 49 HN TRP 49 3.753 -10.222 0.191 334 HA TRP 49 HA TRP 49 1.592 -12.063 0.426 335 1HB TRP 49 HB2 TRP 49 3.383 -11.270 -1.899 336 2HB TRP 49 HB1 TRP 49 1.870 -12.160 -2.084 337 HD1 TRP 49 HD1 TRP 49 3.246 -8.714 -1.408 338 HE1 TRP 49 HE1 TRP 49 1.315 -7.031 -1.339 339 HE3 TRP 49 HE3 TRP 49 -0.706 -11.878 -1.443 340 HZ2 TRP 49 HZ2 TRP 49 -1.524 -7.004 -1.292 341 HZ3 TRP 49 HZ3 TRP 49 -3.034 -11.023 -1.383 342 HH2 TRP 49 HH2 TRP 49 -3.449 -8.577 -1.307 343 H SER 50 HN SER 50 5.008 -12.453 -0.311 344 HA SER 50 HA SER 50 4.888 -15.320 -0.811 345 1HB SER 50 HB2 SER 50 6.505 -13.473 -1.637 346 2HB SER 50 HB1 SER 50 7.287 -13.650 -0.069 347 HG SER 50 HG SER 50 6.704 -15.922 -1.622 348 H SER 51 HN SER 51 3.929 -14.224 1.928 349 HA SER 51 HA SER 51 5.802 -14.923 3.967 350 1HB SER 51 HB2 SER 51 4.004 -14.486 5.340 351 2HB SER 51 HB1 SER 51 3.347 -13.799 3.859 352 HG SER 51 HG SER 51 2.855 -16.311 5.047 353 H MET 52 HN MET 52 6.502 -16.930 4.600 354 HA MET 52 HA MET 52 4.873 -19.310 3.762 355 1HB MET 52 HB2 MET 52 7.888 -19.252 3.800 356 2HB MET 52 HB1 MET 52 6.824 -20.318 2.897 357 1HG MET 52 HG2 MET 52 6.146 -17.763 2.012 358 2HG MET 52 HG1 MET 52 7.903 -17.740 2.122 359 1HE MET 52 HE1 MET 52 5.101 -20.042 -0.529 360 2HE MET 52 HE2 MET 52 5.093 -18.312 -0.197 361 3HE MET 52 HE3 MET 52 4.813 -19.454 1.115 362 H THR 53 HN THR 53 5.957 -17.633 6.384 363 HA THR 53 HA THR 53 6.796 -20.046 7.925 364 HB THR 53 HB THR 53 8.094 -18.612 9.096 365 HG1 THR 53 HG1 THR 53 6.452 -17.910 10.377 366 1HG2 THR 53 HG21 THR 53 8.235 -17.657 6.740 367 2HG2 THR 53 HG22 THR 53 8.704 -16.559 8.038 368 3HG2 THR 53 HG23 THR 53 7.121 -16.400 7.278 369 HA PRO 54 HA PRO 54 3.025 -18.647 10.367 370 1HB PRO 54 HB2 PRO 54 1.670 -16.389 9.647 371 2HB PRO 54 HB1 PRO 54 3.111 -16.355 10.679 372 1HG PRO 54 HG2 PRO 54 2.797 -15.514 7.894 373 2HG PRO 54 HG1 PRO 54 4.037 -15.074 9.073 374 1HD PRO 54 HD2 PRO 54 4.220 -16.981 6.940 375 2HD PRO 54 HD1 PRO 54 5.466 -16.530 8.119 376 H HIS 55 HN HIS 55 1.481 -16.898 7.748 377 HA HIS 55 HA HIS 55 -0.221 -19.299 7.203 378 1HB HIS 55 HB2 HIS 55 -1.622 -17.390 6.063 379 2HB HIS 55 HB1 HIS 55 -1.596 -17.496 7.821 380 HD1 HIS 55 HD1 HIS 55 -0.084 -15.769 9.099 381 HD2 HIS 55 HD2 HIS 55 -0.377 -15.088 4.997 382 HE1 HIS 55 HE1 HIS 55 0.821 -13.442 8.698 383 H TRP 56 HN TRP 56 1.581 -20.163 5.848 384 HA TRP 56 HA TRP 56 2.757 -18.968 3.615 385 1HB TRP 56 HB2 TRP 56 3.220 -21.216 4.603 386 2HB TRP 56 HB1 TRP 56 1.725 -21.809 3.883 387 HD1 TRP 56 HD1 TRP 56 1.768 -20.786 1.056 388 HE1 TRP 56 HE1 TRP 56 3.546 -21.423 -0.649 389 HE3 TRP 56 HE3 TRP 56 5.472 -22.183 4.216 390 HZ2 TRP 56 HZ2 TRP 56 6.217 -22.407 -0.687 391 HZ3 TRP 56 HZ3 TRP 56 7.641 -22.951 3.312 392 HH2 TRP 56 HH2 TRP 56 8.026 -23.078 0.874 393 H HIS 57 HN HIS 57 2.067 -18.439 1.560 394 HA HIS 57 HA HIS 57 -0.748 -19.162 0.824 395 1HB HIS 57 HB2 HIS 57 -1.061 -16.961 0.101 396 2HB HIS 57 HB1 HIS 57 0.055 -16.704 1.440 397 HD1 HIS 57 HD1 HIS 57 2.600 -17.800 -0.155 398 HD2 HIS 57 HD2 HIS 57 -0.026 -14.850 -1.492 399 HE1 HIS 57 HE1 HIS 57 3.859 -16.456 -1.889 400 H GLN 58 HN GLN 58 -0.818 -18.544 -1.799 401 HA GLN 58 HA GLN 58 1.535 -19.932 -3.036 402 1HB GLN 58 HB2 GLN 58 -1.362 -20.569 -2.998 403 2HB GLN 58 HB1 GLN 58 -0.565 -20.743 -4.563 404 1HG GLN 58 HG2 GLN 58 1.060 -22.266 -3.661 405 2HG GLN 58 HG1 GLN 58 0.536 -21.937 -2.009 406 1HE2 GLN 58 HE21 GLN 58 -0.505 -23.803 -1.286 407 2HE2 GLN 58 HE22 GLN 58 -1.676 -24.662 -2.165 408 H ARG 59 HN ARG 59 0.070 -17.063 -2.873 409 HA ARG 59 HA ARG 59 0.170 -16.539 -5.823 410 1HB ARG 59 HB2 ARG 59 -1.677 -15.918 -3.735 411 2HB ARG 59 HB1 ARG 59 -0.972 -14.399 -4.292 412 1HG ARG 59 HG2 ARG 59 -1.463 -15.137 -6.657 413 2HG ARG 59 HG1 ARG 59 -2.359 -16.497 -5.980 414 1HD ARG 59 HD2 ARG 59 -3.293 -14.206 -4.605 415 2HD ARG 59 HD1 ARG 59 -3.243 -13.770 -6.325 416 HE ARG 59 HE ARG 59 -4.797 -15.534 -6.788 417 1HH1 ARG 59 HH11 ARG 59 -5.744 -14.550 -4.004 418 2HH1 ARG 59 HH12 ARG 59 -6.047 -16.069 -3.230 419 1HH2 ARG 59 HH21 ARG 59 -4.294 -17.917 -5.586 420 2HH2 ARG 59 HH22 ARG 59 -5.223 -17.977 -4.125 421 H THR 60 HN THR 60 2.649 -16.668 -4.764 422 HA THR 60 HA THR 60 3.654 -14.266 -3.513 423 HB THR 60 HB THR 60 4.852 -16.378 -3.450 424 HG1 THR 60 HG1 THR 60 6.731 -15.475 -3.725 425 1HG2 THR 60 HG21 THR 60 4.592 -16.172 -6.433 426 2HG2 THR 60 HG22 THR 60 4.186 -17.529 -5.382 427 3HG2 THR 60 HG23 THR 60 5.875 -17.144 -5.712 428 H THR 61 HN THR 61 5.596 -13.196 -4.815 429 HA THR 61 HA THR 61 4.431 -11.684 -6.988 430 HB THR 61 HB THR 61 7.094 -11.168 -7.075 431 HG1 THR 61 HG1 THR 61 8.066 -12.116 -5.493 432 1HG2 THR 61 HG21 THR 61 5.651 -10.170 -4.666 433 2HG2 THR 61 HG22 THR 61 4.917 -9.868 -6.241 434 3HG2 THR 61 HG23 THR 61 6.541 -9.273 -5.896 435 H GLU 62 HN GLU 62 5.899 -14.764 -6.734 436 HA GLU 62 HA GLU 62 7.230 -14.913 -9.259 437 1HB GLU 62 HB2 GLU 62 6.995 -16.482 -7.057 438 2HB GLU 62 HB1 GLU 62 5.845 -17.291 -8.122 439 1HG GLU 62 HG2 GLU 62 7.976 -16.856 -9.808 440 2HG GLU 62 HG1 GLU 62 8.781 -17.185 -8.274 441 H TYR 63 HN TYR 63 3.949 -15.048 -8.183 442 HA TYR 63 HA TYR 63 2.919 -16.036 -10.752 443 1HB TYR 63 HB2 TYR 63 1.867 -15.293 -8.042 444 2HB TYR 63 HB1 TYR 63 0.737 -15.354 -9.394 445 HD1 TYR 63 HD1 TYR 63 3.651 -17.401 -8.182 446 HD2 TYR 63 HD2 TYR 63 -0.399 -17.366 -9.613 447 HE1 TYR 63 HE1 TYR 63 3.565 -19.874 -8.000 448 HE2 TYR 63 HE2 TYR 63 -0.485 -19.837 -9.432 449 HH TYR 63 HH TYR 63 1.613 -21.758 -9.480 450 H TYR 64 HN TYR 64 4.007 -13.120 -9.461 451 HA TYR 64 HA TYR 64 2.697 -11.572 -11.636 452 1HB TYR 64 HB2 TYR 64 2.259 -11.334 -8.689 453 2HB TYR 64 HB1 TYR 64 2.347 -9.836 -9.615 454 HD1 TYR 64 HD1 TYR 64 0.459 -12.945 -9.060 455 HD2 TYR 64 HD2 TYR 64 0.689 -9.311 -11.339 456 HE1 TYR 64 HE1 TYR 64 -1.868 -13.289 -9.844 457 HE2 TYR 64 HE2 TYR 64 -1.639 -9.656 -12.123 458 HH TYR 64 HH TYR 64 -3.223 -11.506 -12.412 459 HA PRO 65 HA PRO 65 7.102 -10.500 -11.114 460 1HB PRO 65 HB2 PRO 65 7.488 -9.875 -13.751 461 2HB PRO 65 HB1 PRO 65 7.571 -11.534 -13.126 462 1HG PRO 65 HG2 PRO 65 5.349 -10.161 -14.556 463 2HG PRO 65 HG1 PRO 65 5.931 -11.826 -14.708 464 1HD PRO 65 HD2 PRO 65 3.703 -11.149 -13.300 465 2HD PRO 65 HD1 PRO 65 4.715 -12.557 -12.908 466 H ASN 66 HN ASN 66 4.437 -8.754 -12.613 467 HA ASN 66 HA ASN 66 5.766 -6.184 -11.821 468 1HB ASN 66 HB2 ASN 66 5.740 -6.795 -14.309 469 2HB ASN 66 HB1 ASN 66 3.988 -6.604 -14.235 470 1HD2 ASN 66 HD21 ASN 66 6.301 -4.910 -15.498 471 2HD2 ASN 66 HD22 ASN 66 5.944 -3.333 -14.983 472 H GLY 67 HN GLY 67 4.018 -7.435 -10.059 473 1HA GLY 67 HA2 GLY 67 1.363 -6.173 -10.518 474 2HA GLY 67 HA1 GLY 67 1.709 -7.407 -9.305 475 H GLY 68 HN GLY 68 4.292 -5.703 -8.801 476 1HA GLY 68 HA2 GLY 68 4.881 -3.818 -7.484 477 2HA GLY 68 HA1 GLY 68 3.186 -3.318 -7.497 478 H LEU 69 HN LEU 69 3.804 -6.602 -6.727 479 HA LEU 69 HA LEU 69 2.759 -6.201 -4.015 480 1HB LEU 69 HB2 LEU 69 3.484 -8.530 -5.791 481 2HB LEU 69 HB1 LEU 69 3.017 -8.775 -4.106 482 HG LEU 69 HG LEU 69 1.305 -7.057 -5.872 483 1HD1 LEU 69 HD11 LEU 69 0.021 -9.411 -6.058 484 2HD1 LEU 69 HD12 LEU 69 1.682 -10.004 -6.034 485 3HD1 LEU 69 HD13 LEU 69 1.171 -8.865 -7.279 486 1HD2 LEU 69 HD21 LEU 69 -0.427 -8.196 -4.338 487 2HD2 LEU 69 HD22 LEU 69 0.678 -7.048 -3.579 488 3HD2 LEU 69 HD23 LEU 69 0.959 -8.782 -3.420 489 H THR 70 HN THR 70 5.093 -4.903 -3.910 490 HA THR 70 HA THR 70 7.406 -6.556 -3.311 491 HB THR 70 HB THR 70 6.719 -3.692 -2.567 492 HG1 THR 70 HG1 THR 70 6.847 -3.418 -4.629 493 1HG2 THR 70 HG21 THR 70 8.633 -4.157 -1.338 494 2HG2 THR 70 HG22 THR 70 9.338 -3.615 -2.860 495 3HG2 THR 70 HG23 THR 70 9.221 -5.339 -2.508 496 H ARG 71 HN ARG 71 8.046 -7.347 -1.284 497 HA ARG 71 HA ARG 71 7.672 -8.111 0.937 498 1HB ARG 71 HB2 ARG 71 8.339 -5.544 0.853 499 2HB ARG 71 HB1 ARG 71 6.699 -5.319 1.462 500 1HG ARG 71 HG2 ARG 71 7.500 -7.304 3.102 501 2HG ARG 71 HG1 ARG 71 9.060 -6.538 2.794 502 1HD ARG 71 HD2 ARG 71 7.641 -4.313 3.254 503 2HD ARG 71 HD1 ARG 71 6.669 -5.446 4.214 504 HE ARG 71 HE ARG 71 9.457 -5.913 4.712 505 1HH1 ARG 71 HH21 ARG 71 7.207 -3.345 5.053 506 2HH1 ARG 71 HH22 ARG 71 7.713 -2.926 6.655 507 1HH2 ARG 71 HH11 ARG 71 9.991 -5.530 6.902 508 2HH2 ARG 71 HH12 ARG 71 9.289 -4.164 7.703 509 H ASN 72 HN ASN 72 5.565 -6.456 2.550 510 HA ASN 72 HA ASN 72 3.284 -8.221 1.900 511 1HB ASN 72 HB2 ASN 72 2.504 -7.545 4.043 512 2HB ASN 72 HB1 ASN 72 4.255 -7.663 4.214 513 1HD2 ASN 72 HD21 ASN 72 1.741 -5.198 3.359 514 2HD2 ASN 72 HD22 ASN 72 2.552 -3.915 4.107 515 H TYR 73 HN TYR 73 4.220 -5.664 0.310 516 HA TYR 73 HA TYR 73 2.637 -3.454 0.409 517 1HB TYR 73 HB2 TYR 73 3.573 -5.232 -1.806 518 2HB TYR 73 HB1 TYR 73 2.461 -3.927 -2.221 519 HD1 TYR 73 HD1 TYR 73 4.830 -3.759 0.608 520 HD2 TYR 73 HD2 TYR 73 4.061 -2.583 -3.451 521 HE1 TYR 73 HE1 TYR 73 6.693 -2.126 0.728 522 HE2 TYR 73 HE2 TYR 73 5.924 -0.950 -3.331 523 HH TYR 73 HH TYR 73 8.272 -1.008 -1.031 524 H CYS 74 HN CYS 74 0.545 -2.856 -0.432 525 HA CYS 74 HA CYS 74 -1.513 -4.975 -0.089 526 1HB CYS 74 HB2 CYS 74 -1.274 -2.027 0.160 527 2HB CYS 74 HB1 CYS 74 -2.841 -2.623 -0.384 528 H ARG 75 HN ARG 75 -2.764 -5.682 -1.794 529 HA ARG 75 HA ARG 75 -2.885 -4.108 -4.303 530 1HB ARG 75 HB2 ARG 75 -1.497 -6.746 -3.884 531 2HB ARG 75 HB1 ARG 75 -2.192 -6.362 -5.459 532 1HG ARG 75 HG2 ARG 75 -0.191 -4.641 -3.966 533 2HG ARG 75 HG1 ARG 75 0.186 -5.688 -5.332 534 1HD ARG 75 HD2 ARG 75 -1.595 -4.367 -6.641 535 2HD ARG 75 HD1 ARG 75 -1.511 -3.183 -5.320 536 HE ARG 75 HE ARG 75 1.152 -3.798 -6.055 537 1HH1 ARG 75 HH21 ARG 75 -1.065 -3.423 -8.446 538 2HH1 ARG 75 HH22 ARG 75 -0.482 -1.904 -9.041 539 1HH2 ARG 75 HH11 ARG 75 1.654 -1.374 -6.359 540 2HH2 ARG 75 HH12 ARG 75 1.061 -0.745 -7.859 541 H ASN 76 HN ASN 76 -4.691 -4.744 -5.612 542 HA ASN 76 HA ASN 76 -6.611 -6.594 -4.246 543 1HB ASN 76 HB2 ASN 76 -7.377 -4.303 -4.372 544 2HB ASN 76 HB1 ASN 76 -6.937 -4.198 -6.075 545 1HD2 ASN 76 HD21 ASN 76 -9.537 -3.576 -5.640 546 2HD2 ASN 76 HD22 ASN 76 -10.573 -4.854 -6.057 547 HA PRO 77 HA PRO 77 -5.571 -8.796 -8.086 548 1HB PRO 77 HB2 PRO 77 -5.830 -11.296 -7.020 549 2HB PRO 77 HB1 PRO 77 -4.351 -10.329 -6.863 550 1HG PRO 77 HG2 PRO 77 -6.473 -10.870 -4.877 551 2HG PRO 77 HG1 PRO 77 -4.742 -10.603 -4.637 552 1HD PRO 77 HD2 PRO 77 -6.751 -8.727 -4.194 553 2HD PRO 77 HD1 PRO 77 -5.021 -8.370 -4.376 554 H ASP 78 HN ASP 78 -8.357 -7.983 -6.756 555 HA ASP 78 HA ASP 78 -9.940 -9.844 -8.465 556 1HB ASP 78 HB2 ASP 78 -10.066 -10.596 -6.133 557 2HB ASP 78 HB1 ASP 78 -10.500 -8.969 -5.609 558 H ALA 79 HN ALA 79 -11.380 -7.497 -6.306 559 HA ALA 79 HA ALA 79 -11.319 -5.121 -7.750 560 1HB ALA 79 HB1 ALA 79 -12.735 -7.292 -9.079 561 2HB ALA 79 HB2 ALA 79 -12.237 -5.728 -9.725 562 3HB ALA 79 HB3 ALA 79 -13.767 -5.879 -8.859 563 H GLU 80 HN GLU 80 -11.765 -5.890 -5.051 564 HA GLU 80 HA GLU 80 -14.638 -5.412 -4.490 565 1HB GLU 80 HB2 GLU 80 -13.965 -5.947 -2.203 566 2HB GLU 80 HB1 GLU 80 -13.244 -7.125 -3.300 567 1HG GLU 80 HG2 GLU 80 -11.517 -4.817 -3.013 568 2HG GLU 80 HG1 GLU 80 -11.891 -5.513 -1.435 569 H ILE 81 HN ILE 81 -14.549 -3.908 -2.193 570 HA ILE 81 HA ILE 81 -14.521 -1.241 -2.992 571 HB ILE 81 HB ILE 81 -14.178 -0.807 -0.516 572 1HG1 ILE 81 HG12 ILE 81 -14.365 -3.279 0.625 573 2HG1 ILE 81 HG11 ILE 81 -13.280 -3.617 -0.724 574 1HG2 ILE 81 HG21 ILE 81 -16.160 -2.736 -1.647 575 2HG2 ILE 81 HG22 ILE 81 -16.416 -1.114 -1.004 576 3HG2 ILE 81 HG23 ILE 81 -16.145 -2.466 0.095 577 1HD1 ILE 81 HD11 ILE 81 -11.599 -2.351 0.142 578 2HD1 ILE 81 HD12 ILE 81 -12.449 -2.616 1.664 579 3HD1 ILE 81 HD13 ILE 81 -12.708 -1.126 0.757 580 H SER 82 HN SER 82 -11.784 -3.145 -1.733 581 HA SER 82 HA SER 82 -9.868 -1.356 -3.040 582 1HB SER 82 HB2 SER 82 -9.177 -0.175 -1.185 583 2HB SER 82 HB1 SER 82 -10.828 -0.493 -0.662 584 HG SER 82 HG SER 82 -8.449 -1.877 0.004 585 HA PRO 83 HA PRO 83 -7.259 -4.862 -2.632 586 1HB PRO 83 HB2 PRO 83 -4.814 -3.823 -1.980 587 2HB PRO 83 HB1 PRO 83 -5.541 -3.642 -3.589 588 1HG PRO 83 HG2 PRO 83 -5.400 -1.694 -1.348 589 2HG PRO 83 HG1 PRO 83 -5.261 -1.424 -3.092 590 1HD PRO 83 HD2 PRO 83 -7.523 -0.902 -1.644 591 2HD PRO 83 HD1 PRO 83 -7.522 -1.281 -3.379 592 H TRP 84 HN TRP 84 -6.265 -6.293 -1.104 593 HA TRP 84 HA TRP 84 -6.460 -5.404 1.759 594 1HB TRP 84 HB2 TRP 84 -7.015 -7.951 2.045 595 2HB TRP 84 HB1 TRP 84 -8.272 -6.873 1.448 596 HD1 TRP 84 HD1 TRP 84 -8.630 -6.831 -1.264 597 HE1 TRP 84 HE1 TRP 84 -8.358 -8.731 -2.984 598 HE3 TRP 84 HE3 TRP 84 -5.754 -10.066 1.445 599 HZ2 TRP 84 HZ2 TRP 84 -7.089 -11.286 -3.184 600 HZ3 TRP 84 HZ3 TRP 84 -5.028 -12.224 0.466 601 HH2 TRP 84 HH2 TRP 84 -5.690 -12.837 -1.843 602 H CYS 85 HN CYS 85 -5.293 -7.635 2.962 603 HA CYS 85 HA CYS 85 -2.899 -8.546 1.627 604 1HB CYS 85 HB2 CYS 85 -1.333 -7.026 2.862 605 2HB CYS 85 HB1 CYS 85 -2.375 -6.161 1.736 606 H TYR 86 HN TYR 86 -1.950 -10.161 2.873 607 HA TYR 86 HA TYR 86 -3.243 -11.273 5.121 608 1HB TYR 86 HB2 TYR 86 -0.273 -11.373 4.510 609 2HB TYR 86 HB1 TYR 86 -1.248 -12.625 5.280 610 HD1 TYR 86 HD1 TYR 86 0.357 -11.917 2.343 611 HD2 TYR 86 HD2 TYR 86 -3.540 -13.069 3.735 612 HE1 TYR 86 HE1 TYR 86 -0.150 -12.885 0.117 613 HE2 TYR 86 HE2 TYR 86 -4.048 -14.037 1.509 614 HH TYR 86 HH TYR 86 -3.347 -14.294 -0.586 615 H THR 87 HN THR 87 -1.541 -11.539 7.234 616 HA THR 87 HA THR 87 -1.041 -8.717 8.147 617 HB THR 87 HB THR 87 -1.387 -10.298 10.399 618 HG1 THR 87 HG1 THR 87 -2.326 -12.004 9.657 619 1HG2 THR 87 HG21 THR 87 -2.447 -8.021 9.391 620 2HG2 THR 87 HG22 THR 87 -3.070 -8.833 10.827 621 3HG2 THR 87 HG23 THR 87 -3.839 -9.098 9.262 622 H MET 88 HN MET 88 1.038 -8.335 8.864 623 HA MET 88 HA MET 88 3.107 -10.326 8.640 624 1HB MET 88 HB2 MET 88 3.182 -7.765 8.452 625 2HB MET 88 HB1 MET 88 3.200 -7.750 10.216 626 1HG MET 88 HG2 MET 88 5.246 -9.016 10.284 627 2HG MET 88 HG1 MET 88 5.173 -9.332 8.551 628 1HE MET 88 HE1 MET 88 7.591 -7.297 7.369 629 2HE MET 88 HE2 MET 88 7.111 -8.865 8.014 630 3HE MET 88 HE3 MET 88 8.142 -7.804 8.972 631 H ASP 89 HN ASP 89 0.730 -10.485 10.866 632 HA ASP 89 HA ASP 89 2.580 -11.313 13.055 633 1HB ASP 89 HB2 ASP 89 1.045 -9.219 13.276 634 2HB ASP 89 HB1 ASP 89 -0.272 -10.386 13.399 635 HA PRO 90 HA PRO 90 0.674 -15.238 12.508 636 1HB PRO 90 HB2 PRO 90 1.428 -16.362 14.887 637 2HB PRO 90 HB1 PRO 90 2.554 -16.104 13.540 638 1HG PRO 90 HG2 PRO 90 2.196 -14.531 16.034 639 2HG PRO 90 HG1 PRO 90 3.672 -14.892 15.126 640 1HD PRO 90 HD2 PRO 90 2.328 -12.488 15.025 641 2HD PRO 90 HD1 PRO 90 3.411 -13.089 13.752 642 H ASN 91 HN ASN 91 -0.587 -12.860 14.346 643 HA ASN 91 HA ASN 91 -2.564 -14.612 15.746 644 1HB ASN 91 HB2 ASN 91 -1.635 -11.745 16.069 645 2HB ASN 91 HB1 ASN 91 -3.044 -12.381 16.918 646 1HD2 ASN 91 HD21 ASN 91 0.455 -13.090 16.417 647 2HD2 ASN 91 HD22 ASN 91 0.686 -13.777 17.951 648 H VAL 92 HN VAL 92 -2.165 -12.955 12.883 649 HA VAL 92 HA VAL 92 -5.121 -12.537 12.617 650 HB VAL 92 HB VAL 92 -2.872 -10.740 11.633 651 1HG1 VAL 92 HG11 VAL 92 -5.895 -10.587 11.491 652 2HG1 VAL 92 HG12 VAL 92 -4.744 -10.539 10.155 653 3HG1 VAL 92 HG13 VAL 92 -4.863 -9.175 11.267 654 1HG2 VAL 92 HG21 VAL 92 -4.224 -9.205 13.361 655 2HG2 VAL 92 HG22 VAL 92 -2.904 -10.247 13.894 656 3HG2 VAL 92 HG23 VAL 92 -4.577 -10.771 14.094 657 H ARG 93 HN ARG 93 -5.928 -13.358 10.672 658 HA ARG 93 HA ARG 93 -4.197 -14.932 8.982 659 1HB ARG 93 HB2 ARG 93 -6.835 -14.929 9.664 660 2HB ARG 93 HB1 ARG 93 -6.913 -14.184 8.066 661 1HG ARG 93 HG2 ARG 93 -5.405 -16.751 8.616 662 2HG ARG 93 HG1 ARG 93 -7.083 -16.719 8.075 663 1HD ARG 93 HD2 ARG 93 -6.522 -15.812 5.975 664 2HD ARG 93 HD1 ARG 93 -4.956 -15.207 6.552 665 HE ARG 93 HE ARG 93 -5.177 -18.094 6.820 666 1HH1 ARG 93 HH21 ARG 93 -4.919 -15.649 4.426 667 2HH1 ARG 93 HH22 ARG 93 -3.741 -16.499 3.483 668 1HH2 ARG 93 HH11 ARG 93 -3.469 -19.139 5.716 669 2HH2 ARG 93 HH12 ARG 93 -2.919 -18.475 4.213 670 H TRP 94 HN TRP 94 -6.306 -12.136 8.279 671 HA TRP 94 HA TRP 94 -4.235 -10.874 6.622 672 1HB TRP 94 HB2 TRP 94 -5.385 -11.135 4.539 673 2HB TRP 94 HB1 TRP 94 -5.395 -12.736 5.277 674 HD1 TRP 94 HD1 TRP 94 -7.686 -13.726 6.054 675 HE1 TRP 94 HE1 TRP 94 -10.134 -13.002 5.693 676 HE3 TRP 94 HE3 TRP 94 -6.954 -8.990 4.288 677 HZ2 TRP 94 HZ2 TRP 94 -11.589 -10.716 4.775 678 HZ3 TRP 94 HZ3 TRP 94 -8.885 -7.562 3.680 679 HH2 TRP 94 HH2 TRP 94 -11.200 -8.418 3.921 680 H GLU 95 HN GLU 95 -5.404 -8.829 5.498 681 HA GLU 95 HA GLU 95 -7.765 -7.862 6.955 682 1HB GLU 95 HB2 GLU 95 -5.049 -7.446 7.903 683 2HB GLU 95 HB1 GLU 95 -5.849 -5.907 7.582 684 1HG GLU 95 HG2 GLU 95 -7.728 -6.533 8.998 685 2HG GLU 95 HG1 GLU 95 -7.051 -8.144 9.239 686 H TYR 96 HN TYR 96 -8.468 -5.763 6.147 687 HA TYR 96 HA TYR 96 -7.790 -5.328 3.345 688 1HB TYR 96 HB2 TYR 96 -9.759 -4.484 5.358 689 2HB TYR 96 HB1 TYR 96 -9.335 -3.202 4.224 690 HD1 TYR 96 HD1 TYR 96 -11.685 -5.631 4.729 691 HD2 TYR 96 HD2 TYR 96 -8.934 -4.342 1.691 692 HE1 TYR 96 HE1 TYR 96 -13.104 -6.689 2.992 693 HE2 TYR 96 HE2 TYR 96 -10.354 -5.400 -0.044 694 HH TYR 96 HH TYR 96 -13.186 -6.024 0.031 695 H CYS 97 HN CYS 97 -7.113 -3.111 2.576 696 HA CYS 97 HA CYS 97 -4.965 -2.045 4.342 697 1HB CYS 97 HB2 CYS 97 -5.592 -1.503 1.425 698 2HB CYS 97 HB1 CYS 97 -4.074 -1.175 2.261 699 H ASN 98 HN ASN 98 -4.848 0.210 4.817 700 HA ASN 98 HA ASN 98 -7.247 1.609 5.368 701 1HB ASN 98 HB2 ASN 98 -4.340 2.255 5.063 702 2HB ASN 98 HB1 ASN 98 -5.472 3.603 5.181 703 1HD2 ASN 98 HD21 ASN 98 -3.506 1.796 7.107 704 2HD2 ASN 98 HD22 ASN 98 -4.390 1.835 8.556 705 H LEU 99 HN LEU 99 -8.461 1.315 3.251 706 HA LEU 99 HA LEU 99 -7.820 3.581 1.428 707 1HB LEU 99 HB2 LEU 99 -8.267 0.697 0.594 708 2HB LEU 99 HB1 LEU 99 -8.031 2.054 -0.505 709 HG LEU 99 HG LEU 99 -6.023 1.174 1.586 710 1HD1 LEU 99 HD11 LEU 99 -6.328 -0.473 -0.258 711 2HD1 LEU 99 HD12 LEU 99 -4.736 0.286 -0.285 712 3HD1 LEU 99 HD13 LEU 99 -5.981 0.806 -1.421 713 1HD2 LEU 99 HD21 LEU 99 -4.958 3.109 1.122 714 2HD2 LEU 99 HD22 LEU 99 -6.346 3.599 0.151 715 3HD2 LEU 99 HD23 LEU 99 -4.999 2.748 -0.604 716 H THR 100 HN THR 100 -9.616 4.586 0.705 717 HA THR 100 HA THR 100 -12.270 3.268 0.792 718 HB THR 100 HB THR 100 -13.006 5.557 1.778 719 HG1 THR 100 HG1 THR 100 -11.449 6.734 2.723 720 1HG2 THR 100 HG21 THR 100 -11.450 3.480 3.322 721 2HG2 THR 100 HG22 THR 100 -13.199 3.601 3.132 722 3HG2 THR 100 HG23 THR 100 -12.335 4.783 4.115 723 H GLN 101 HN GLN 101 -13.792 4.503 -0.657 724 HA GLN 101 HA GLN 101 -12.710 5.231 -3.136 725 1HB GLN 101 HB2 GLN 101 -15.224 5.420 -1.702 726 2HB GLN 101 HB1 GLN 101 -14.991 6.856 -2.700 727 1HG GLN 101 HG2 GLN 101 -14.927 5.635 -4.685 728 2HG GLN 101 HG1 GLN 101 -14.428 4.151 -3.874 729 1HE2 GLN 101 HE21 GLN 101 -17.014 5.355 -5.479 730 2HE2 GLN 101 HE22 GLN 101 -18.277 4.575 -4.654 731 H CYS 102 HN CYS 102 -10.911 6.599 -3.041 732 HA CYS 102 HA CYS 102 -10.208 8.695 -1.477 733 1HB CYS 102 HB2 CYS 102 -10.188 8.638 -4.511 734 2HB CYS 102 HB1 CYS 102 -9.165 9.673 -3.514 735 HA PRO 103 HA PRO 103 -13.364 11.745 -1.661 736 1HB PRO 103 HB2 PRO 103 -11.904 13.957 -0.983 737 2HB PRO 103 HB1 PRO 103 -12.358 12.700 0.184 738 1HG PRO 103 HG2 PRO 103 -9.767 13.147 -1.202 739 2HG PRO 103 HG1 PRO 103 -10.084 12.614 0.455 740 1HD PRO 103 HD2 PRO 103 -9.358 10.930 -1.573 741 2HD PRO 103 HD1 PRO 103 -10.301 10.423 -0.155 742 H VAL 104 HN VAL 104 -13.126 14.399 -2.416 743 HA VAL 104 HA VAL 104 -13.346 14.361 -5.235 744 HB VAL 104 HB VAL 104 -12.550 16.657 -3.418 745 1HG1 VAL 104 HG11 VAL 104 -13.830 16.449 -6.143 746 2HG1 VAL 104 HG12 VAL 104 -12.444 17.424 -5.652 747 3HG1 VAL 104 HG13 VAL 104 -14.068 17.872 -5.129 748 1HG2 VAL 104 HG21 VAL 104 -14.823 14.970 -3.288 749 2HG2 VAL 104 HG22 VAL 104 -15.368 16.484 -4.009 750 3HG2 VAL 104 HG23 VAL 104 -14.572 16.493 -2.436 751 H THR 105 HN THR 105 -11.890 15.808 -6.678 752 HA THR 105 HA THR 105 -8.995 15.523 -5.989 753 HB THR 105 HB THR 105 -10.481 14.536 -8.439 754 HG1 THR 105 HG1 THR 105 -10.077 13.319 -6.340 755 1HG2 THR 105 HG21 THR 105 -7.533 15.003 -7.982 756 2HG2 THR 105 HG22 THR 105 -8.529 15.556 -9.329 757 3HG2 THR 105 HG23 THR 105 -8.123 13.846 -9.176 758 H GLU 106 HN GLU 106 -11.218 16.691 -8.552 759 HA GLU 106 HA GLU 106 -9.706 18.621 -9.801 760 1HB GLU 106 HB2 GLU 106 -12.341 17.882 -9.677 761 2HB GLU 106 HB1 GLU 106 -12.408 19.506 -8.991 762 1HG GLU 106 HG2 GLU 106 -11.109 18.788 -11.636 763 2HG GLU 106 HG1 GLU 106 -12.696 19.538 -11.455 764 H SER 107 HN SER 107 -11.754 19.332 -6.940 765 HA SER 107 HA SER 107 -9.814 21.511 -6.228 766 1HB SER 107 HB2 SER 107 -12.803 21.350 -6.374 767 2HB SER 107 HB1 SER 107 -12.079 22.420 -5.177 768 HG SER 107 HG SER 107 -11.606 22.398 -7.980 769 H SER 108 HN SER 108 -10.270 22.131 -3.770 770 HA SER 108 HA SER 108 -11.008 19.816 -2.086 771 1HB SER 108 HB2 SER 108 -8.568 19.670 -2.966 772 2HB SER 108 HB1 SER 108 -8.241 21.005 -1.865 773 HG SER 108 HG SER 108 -9.235 18.417 -1.260 774 H VAL 109 HN VAL 109 -12.429 21.008 -0.817 775 HA VAL 109 HA VAL 109 -11.287 23.043 0.978 776 HB VAL 109 HB VAL 109 -11.765 24.407 -0.945 777 1HG1 VAL 109 HG11 VAL 109 -14.393 24.258 -1.607 778 2HG1 VAL 109 HG12 VAL 109 -14.094 22.582 -1.146 779 3HG1 VAL 109 HG13 VAL 109 -13.135 23.329 -2.424 780 1HG2 VAL 109 HG21 VAL 109 -14.276 24.708 0.699 781 2HG2 VAL 109 HG22 VAL 109 -13.269 25.968 -0.017 782 3HG2 VAL 109 HG23 VAL 109 -12.698 25.077 1.395 783 H LEU 110 HN LEU 110 -12.349 22.889 2.934 784 HA LEU 110 HA LEU 110 -15.000 21.481 2.960 785 1HB LEU 110 HB2 LEU 110 -14.255 20.564 5.116 786 2HB LEU 110 HB1 LEU 110 -13.056 20.216 3.869 787 HG LEU 110 HG LEU 110 -12.610 22.798 5.175 788 1HD1 LEU 110 HD11 LEU 110 -11.840 20.554 6.947 789 2HD1 LEU 110 HD12 LEU 110 -13.560 20.942 6.927 790 3HD1 LEU 110 HD13 LEU 110 -12.382 22.180 7.361 791 1HD2 LEU 110 HD21 LEU 110 -10.446 21.047 5.555 792 2HD2 LEU 110 HD22 LEU 110 -10.629 22.224 4.255 793 3HD2 LEU 110 HD23 LEU 110 -11.161 20.560 4.019 794 H ALA 111 HN ALA 111 -15.398 24.079 2.642 795 HA ALA 111 HA ALA 111 -15.247 25.654 5.092 796 1HB ALA 111 HB1 ALA 111 -16.621 25.942 2.408 797 2HB ALA 111 HB2 ALA 111 -15.149 26.746 2.955 798 3HB ALA 111 HB3 ALA 111 -16.706 27.183 3.658 799 H THR 112 HN THR 112 -16.406 23.874 6.399 800 HA THR 112 HA THR 112 -19.328 23.699 5.951 801 HB THR 112 HB THR 112 -18.521 22.445 8.362 802 HG1 THR 112 HG1 THR 112 -16.825 21.141 7.020 803 1HG2 THR 112 HG21 THR 112 -20.026 21.808 6.243 804 2HG2 THR 112 HG22 THR 112 -19.379 20.579 7.329 805 3HG2 THR 112 HG23 THR 112 -18.567 20.922 5.801 806 H SER 113 HN SER 113 -17.596 24.053 9.038 807 HA SER 113 HA SER 113 -19.652 25.612 10.270 808 1HB SER 113 HB2 SER 113 -18.239 24.547 11.765 809 2HB SER 113 HB1 SER 113 -16.808 24.850 10.784 810 HG SER 113 HG SER 113 -18.258 26.891 12.115 811 H THR 114 HN THR 114 -19.495 27.897 10.933 812 HA THR 114 HA THR 114 -17.930 29.563 8.986 813 HB THR 114 HB THR 114 -20.623 30.063 10.301 814 HG1 THR 114 HG1 THR 114 -20.265 29.756 7.557 815 1HG2 THR 114 HG21 THR 114 -18.880 31.953 9.424 816 2HG2 THR 114 HG22 THR 114 -20.632 32.138 9.352 817 3HG2 THR 114 HG23 THR 114 -19.743 31.599 7.927 818 H ALA 115 HN ALA 115 -16.171 30.159 10.291 819 HA ALA 115 HA ALA 115 -16.850 31.613 12.825 820 1HB ALA 115 HB1 ALA 115 -14.782 29.504 12.207 821 2HB ALA 115 HB2 ALA 115 -15.957 29.536 13.522 822 3HB ALA 115 HB3 ALA 115 -14.562 30.615 13.559 823 H VAL 116 HN VAL 116 -15.086 33.176 13.442 824 HA VAL 116 HA VAL 116 -13.820 34.344 10.991 825 HB VAL 116 HB VAL 116 -15.503 35.732 12.095 826 1HG1 VAL 116 HG11 VAL 116 -14.320 36.374 14.568 827 2HG1 VAL 116 HG12 VAL 116 -14.259 34.615 14.462 828 3HG1 VAL 116 HG13 VAL 116 -15.803 35.454 14.311 829 1HG2 VAL 116 HG21 VAL 116 -12.801 36.470 11.676 830 2HG2 VAL 116 HG22 VAL 116 -13.294 37.238 13.184 831 3HG2 VAL 116 HG23 VAL 116 -14.206 37.535 11.704 832 H SER 117 HN SER 117 -12.131 32.524 11.604 833 HA SER 117 HA SER 117 -10.224 33.606 13.653 834 1HB SER 117 HB2 SER 117 -11.275 30.959 12.961 835 2HB SER 117 HB1 SER 117 -9.518 30.983 13.067 836 HG SER 117 HG SER 117 -10.643 30.599 15.088 837 H GLU 118 HN GLU 118 -8.061 33.904 13.005 838 HA GLU 118 HA GLU 118 -7.051 32.917 10.449 839 1HB GLU 118 HB2 GLU 118 -8.695 35.096 10.316 840 2HB GLU 118 HB1 GLU 118 -7.126 35.878 10.504 841 1HG GLU 118 HG2 GLU 118 -6.334 34.237 8.650 842 2HG GLU 118 HG1 GLU 118 -8.053 34.027 8.316 843 H GLN 119 HN GLN 119 -5.862 32.482 12.819 844 HA GLN 119 HA GLN 119 -3.507 34.324 12.774 845 1HB GLN 119 HB2 GLN 119 -3.578 34.219 15.294 846 2HB GLN 119 HB1 GLN 119 -4.963 35.049 14.581 847 1HG GLN 119 HG2 GLN 119 -5.473 32.204 14.759 848 2HG GLN 119 HG1 GLN 119 -5.036 32.853 16.340 849 1HE2 GLN 119 HE21 GLN 119 -7.756 32.006 15.213 850 2HE2 GLN 119 HE22 GLN 119 -8.752 33.357 15.463 Start of MODEL 7 1 1H ALA 1 HT1 ALA 1 29.065 -4.945 7.990 2 2H ALA 1 HT2 ALA 1 30.412 -5.004 9.024 3 3H ALA 1 HT3 ALA 1 30.626 -5.067 7.339 4 HA ALA 1 HA ALA 1 31.114 -2.868 7.675 5 1HB ALA 1 HB1 ALA 1 28.334 -3.533 6.991 6 2HB ALA 1 HB2 ALA 1 29.464 -2.464 6.161 7 3HB ALA 1 HB3 ALA 1 28.535 -1.868 7.537 8 H ARG 2 HN ARG 2 31.454 -1.323 9.256 9 HA ARG 2 HA ARG 2 29.552 -1.091 11.523 10 1HB ARG 2 HB2 ARG 2 31.323 -1.552 13.150 11 2HB ARG 2 HB1 ARG 2 31.192 -2.912 12.034 12 1HG ARG 2 HG2 ARG 2 33.108 -0.663 11.458 13 2HG ARG 2 HG1 ARG 2 33.563 -1.958 12.567 14 1HD ARG 2 HD2 ARG 2 32.371 -3.154 10.247 15 2HD ARG 2 HD1 ARG 2 33.632 -2.022 9.718 16 HE ARG 2 HE ARG 2 35.203 -3.191 11.240 17 1HH1 ARG 2 HH11 ARG 2 32.926 -4.472 12.865 18 2HH1 ARG 2 HH12 ARG 2 33.072 -6.126 12.371 19 1HH2 ARG 2 HH21 ARG 2 35.064 -5.404 9.624 20 2HH2 ARG 2 HH22 ARG 2 34.284 -6.654 10.534 21 H ILE 3 HN ILE 3 30.071 0.804 9.503 22 HA ILE 3 HA ILE 3 31.304 2.981 11.115 23 HB ILE 3 HB ILE 3 32.149 2.021 8.371 24 1HG1 ILE 3 HG12 ILE 3 33.224 1.030 10.400 25 2HG1 ILE 3 HG11 ILE 3 34.361 1.946 9.411 26 1HG2 ILE 3 HG21 ILE 3 32.916 4.618 9.738 27 2HG2 ILE 3 HG22 ILE 3 31.810 4.496 8.370 28 3HG2 ILE 3 HG23 ILE 3 33.503 4.043 8.177 29 1HD1 ILE 3 HD11 ILE 3 33.504 2.426 12.156 30 2HD1 ILE 3 HD12 ILE 3 33.281 3.850 11.141 31 3HD1 ILE 3 HD13 ILE 3 34.874 3.106 11.278 32 H HIS 4 HN HIS 4 29.697 4.506 11.148 33 HA HIS 4 HA HIS 4 27.415 4.659 9.538 34 1HB HIS 4 HB2 HIS 4 28.739 6.160 11.538 35 2HB HIS 4 HB1 HIS 4 28.389 7.292 10.231 36 HD1 HIS 4 HD1 HIS 4 25.751 6.757 9.220 37 HD2 HIS 4 HD2 HIS 4 26.577 6.035 13.242 38 HE1 HIS 4 HE1 HIS 4 23.518 6.717 10.413 39 H HIS 5 HN HIS 5 27.656 4.502 7.298 40 HA HIS 5 HA HIS 5 28.307 5.114 5.106 41 1HB HIS 5 HB2 HIS 5 28.084 7.674 6.692 42 2HB HIS 5 HB1 HIS 5 28.420 7.697 4.960 43 HD1 HIS 5 HD1 HIS 5 26.610 6.261 3.467 44 HD2 HIS 5 HD2 HIS 5 25.388 7.435 7.276 45 HE1 HIS 5 HE1 HIS 5 24.085 6.072 3.498 46 H HIS 6 HN HIS 6 30.063 6.820 4.019 47 HA HIS 6 HA HIS 6 32.646 6.429 5.496 48 1HB HIS 6 HB2 HIS 6 33.547 5.928 3.143 49 2HB HIS 6 HB1 HIS 6 32.509 4.695 3.860 50 HD1 HIS 6 HD1 HIS 6 32.369 7.560 1.373 51 HD2 HIS 6 HD2 HIS 6 30.144 4.204 2.452 52 HE1 HIS 6 HE1 HIS 6 30.533 7.331 -0.357 53 H HIS 7 HN HIS 7 30.567 8.604 3.939 54 HA HIS 7 HA HIS 7 32.834 10.523 3.500 55 1HB HIS 7 HB2 HIS 7 31.246 9.432 1.585 56 2HB HIS 7 HB1 HIS 7 30.288 10.852 2.008 57 HD1 HIS 7 HD1 HIS 7 30.837 12.669 0.396 58 HD2 HIS 7 HD2 HIS 7 34.239 10.527 1.500 59 HE1 HIS 7 HE1 HIS 7 32.798 13.805 -0.736 60 H HIS 8 HN HIS 8 32.088 12.847 3.691 61 HA HIS 8 HA HIS 8 31.105 14.557 4.992 62 1HB HIS 8 HB2 HIS 8 28.855 12.561 4.617 63 2HB HIS 8 HB1 HIS 8 28.612 14.161 5.319 64 HD1 HIS 8 HD1 HIS 8 29.284 16.234 3.743 65 HD2 HIS 8 HD2 HIS 8 28.996 12.542 1.830 66 HE1 HIS 8 HE1 HIS 8 29.145 16.722 1.261 67 H HIS 9 HN HIS 9 29.489 14.621 7.146 68 HA HIS 9 HA HIS 9 30.614 12.610 9.068 69 1HB HIS 9 HB2 HIS 9 30.357 15.624 9.270 70 2HB HIS 9 HB1 HIS 9 30.744 14.592 10.648 71 HD1 HIS 9 HD1 HIS 9 32.723 12.636 9.506 72 HD2 HIS 9 HD2 HIS 9 32.794 16.684 8.509 73 HE1 HIS 9 HE1 HIS 9 35.074 13.136 8.708 74 H ILE 10 HN ILE 10 28.005 14.925 8.354 75 HA ILE 10 HA ILE 10 26.111 13.171 9.818 76 HB ILE 10 HB ILE 10 27.103 14.803 11.432 77 1HG1 ILE 10 HG12 ILE 10 24.696 15.956 11.845 78 2HG1 ILE 10 HG11 ILE 10 24.219 14.697 10.705 79 1HG2 ILE 10 HG21 ILE 10 25.621 17.029 10.115 80 2HG2 ILE 10 HG22 ILE 10 27.159 16.552 9.395 81 3HG2 ILE 10 HG23 ILE 10 27.099 17.077 11.078 82 1HD1 ILE 10 HD11 ILE 10 24.256 13.218 12.399 83 2HD1 ILE 10 HD12 ILE 10 24.898 14.438 13.499 84 3HD1 ILE 10 HD13 ILE 10 25.998 13.466 12.521 85 H GLU 11 HN GLU 11 25.204 12.851 7.671 86 HA GLU 11 HA GLU 11 24.269 15.128 6.089 87 1HB GLU 11 HB2 GLU 11 24.585 12.246 5.903 88 2HB GLU 11 HB1 GLU 11 23.010 12.742 5.281 89 1HG GLU 11 HG2 GLU 11 25.476 14.262 4.478 90 2HG GLU 11 HG1 GLU 11 25.076 12.746 3.668 91 H GLY 12 HN GLY 12 21.724 14.363 5.317 92 1HA GLY 12 HA2 GLY 12 20.156 14.411 7.865 93 2HA GLY 12 HA1 GLY 12 19.754 15.475 6.515 94 H ARG 13 HN ARG 13 20.049 13.730 4.362 95 HA ARG 13 HA ARG 13 17.848 11.764 4.895 96 1HB ARG 13 HB2 ARG 13 18.310 13.837 2.963 97 2HB ARG 13 HB1 ARG 13 18.244 12.290 2.118 98 1HG ARG 13 HG2 ARG 13 16.073 11.808 2.931 99 2HG ARG 13 HG1 ARG 13 16.180 13.041 4.189 100 1HD ARG 13 HD2 ARG 13 16.600 14.403 1.743 101 2HD ARG 13 HD1 ARG 13 15.212 13.328 1.483 102 HE ARG 13 HE ARG 13 14.902 14.495 4.047 103 1HH1 ARG 13 HH11 ARG 13 15.966 16.887 2.540 104 2HH1 ARG 13 HH12 ARG 13 14.507 17.598 1.936 105 1HH2 ARG 13 HH21 ARG 13 12.583 14.769 2.490 106 2HH2 ARG 13 HH22 ARG 13 12.592 16.401 1.912 107 H ALA 14 HN ALA 14 18.554 9.667 4.896 108 HA ALA 14 HA ALA 14 21.169 8.820 4.166 109 1HB ALA 14 HB1 ALA 14 19.357 6.657 3.913 110 2HB ALA 14 HB2 ALA 14 18.667 7.742 5.119 111 3HB ALA 14 HB3 ALA 14 20.295 7.102 5.338 112 HA PRO 15 HA PRO 15 19.401 7.241 0.039 113 1HB PRO 15 HB2 PRO 15 16.769 7.693 -0.541 114 2HB PRO 15 HB1 PRO 15 17.326 6.269 0.361 115 1HG PRO 15 HG2 PRO 15 16.063 8.766 1.358 116 2HG PRO 15 HG1 PRO 15 15.874 7.100 1.923 117 1HD PRO 15 HD2 PRO 15 17.432 8.990 3.166 118 2HD PRO 15 HD1 PRO 15 17.673 7.236 3.309 119 H THR 16 HN THR 16 20.443 8.767 -1.242 120 HA THR 16 HA THR 16 19.865 11.574 -1.269 121 HB THR 16 HB THR 16 21.210 9.698 -3.239 122 HG1 THR 16 HG1 THR 16 22.664 9.799 -1.744 123 1HG2 THR 16 HG21 THR 16 20.311 12.142 -3.936 124 2HG2 THR 16 HG22 THR 16 21.822 11.472 -4.551 125 3HG2 THR 16 HG23 THR 16 21.845 12.600 -3.196 126 H GLU 17 HN GLU 17 19.028 9.010 -3.635 127 HA GLU 17 HA GLU 17 17.444 10.640 -5.334 128 1HB GLU 17 HB2 GLU 17 16.760 8.530 -6.263 129 2HB GLU 17 HB1 GLU 17 18.421 8.316 -5.710 130 1HG GLU 17 HG2 GLU 17 17.621 7.296 -3.626 131 2HG GLU 17 HG1 GLU 17 15.949 7.552 -4.126 132 H GLN 18 HN GLN 18 15.093 10.801 -5.428 133 HA GLN 18 HA GLN 18 13.489 9.750 -3.242 134 1HB GLN 18 HB2 GLN 18 14.393 12.607 -3.445 135 2HB GLN 18 HB1 GLN 18 12.841 12.235 -2.696 136 1HG GLN 18 HG2 GLN 18 14.170 10.495 -1.302 137 2HG GLN 18 HG1 GLN 18 15.597 11.394 -1.818 138 1HE2 GLN 18 HE21 GLN 18 13.158 11.295 0.551 139 2HE2 GLN 18 HE22 GLN 18 13.354 12.866 1.164 140 H SER 19 HN SER 19 13.355 9.496 -6.102 141 HA SER 19 HA SER 19 11.304 11.320 -7.125 142 1HB SER 19 HB2 SER 19 11.770 10.250 -9.131 143 2HB SER 19 HB1 SER 19 13.251 9.883 -8.252 144 HG SER 19 HG SER 19 11.534 8.184 -9.269 145 HA PRO 20 HA PRO 20 7.987 8.937 -5.366 146 1HB PRO 20 HB2 PRO 20 5.946 10.282 -6.597 147 2HB PRO 20 HB1 PRO 20 6.828 10.931 -5.200 148 1HG PRO 20 HG2 PRO 20 7.126 11.572 -8.090 149 2HG PRO 20 HG1 PRO 20 7.215 12.641 -6.681 150 1HD PRO 20 HD2 PRO 20 9.409 11.713 -8.017 151 2HD PRO 20 HD1 PRO 20 9.419 12.167 -6.298 152 H GLY 21 HN GLY 21 7.283 6.971 -6.121 153 1HA GLY 21 HA2 GLY 21 7.531 6.248 -8.909 154 2HA GLY 21 HA1 GLY 21 6.815 5.243 -7.647 155 H VAL 22 HN VAL 22 4.644 4.941 -7.770 156 HA VAL 22 HA VAL 22 3.044 6.941 -9.337 157 HB VAL 22 HB VAL 22 2.883 3.914 -9.194 158 1HG1 VAL 22 HG11 VAL 22 1.218 4.844 -11.236 159 2HG1 VAL 22 HG12 VAL 22 0.888 5.926 -9.884 160 3HG1 VAL 22 HG13 VAL 22 0.695 4.184 -9.686 161 1HG2 VAL 22 HG21 VAL 22 3.545 3.980 -11.508 162 2HG2 VAL 22 HG22 VAL 22 4.675 5.008 -10.627 163 3HG2 VAL 22 HG23 VAL 22 3.371 5.734 -11.568 164 H GLN 23 HN GLN 23 1.745 7.990 -7.883 165 HA GLN 23 HA GLN 23 0.440 8.351 -5.932 166 1HB GLN 23 HB2 GLN 23 -0.891 7.035 -7.721 167 2HB GLN 23 HB1 GLN 23 -0.649 5.632 -6.678 168 1HG GLN 23 HG2 GLN 23 -2.120 6.386 -5.112 169 2HG GLN 23 HG1 GLN 23 -1.588 8.059 -5.280 170 1HE2 GLN 23 HE21 GLN 23 -3.769 8.911 -5.493 171 2HE2 GLN 23 HE22 GLN 23 -4.715 8.610 -6.871 172 H ASP 24 HN ASP 24 2.874 7.452 -5.081 173 HA ASP 24 HA ASP 24 2.605 5.025 -3.449 174 1HB ASP 24 HB2 ASP 24 4.648 6.663 -4.553 175 2HB ASP 24 HB1 ASP 24 4.866 6.688 -2.802 176 H CYS 25 HN CYS 25 0.591 6.698 -2.659 177 HA CYS 25 HA CYS 25 1.304 7.215 0.128 178 1HB CYS 25 HB2 CYS 25 0.989 9.581 0.088 179 2HB CYS 25 HB1 CYS 25 2.023 9.227 -1.294 180 H TYR 26 HN TYR 26 -0.824 8.417 1.157 181 HA TYR 26 HA TYR 26 -3.297 7.531 -0.215 182 1HB TYR 26 HB2 TYR 26 -3.924 5.969 1.448 183 2HB TYR 26 HB1 TYR 26 -2.218 5.639 1.182 184 HD1 TYR 26 HD1 TYR 26 -0.724 5.666 3.000 185 HD2 TYR 26 HD2 TYR 26 -4.516 7.639 3.361 186 HE1 TYR 26 HE1 TYR 26 -0.276 6.076 5.400 187 HE2 TYR 26 HE2 TYR 26 -4.065 8.060 5.758 188 HH TYR 26 HH TYR 26 -0.952 7.469 7.182 189 H HIS 27 HN HIS 27 -5.257 8.175 1.195 190 HA HIS 27 HA HIS 27 -4.619 10.712 2.671 191 1HB HIS 27 HB2 HIS 27 -6.899 11.401 1.725 192 2HB HIS 27 HB1 HIS 27 -5.598 11.232 0.547 193 HD1 HIS 27 HD1 HIS 27 -5.639 9.100 -0.986 194 HD2 HIS 27 HD2 HIS 27 -8.977 9.498 1.480 195 HE1 HIS 27 HE1 HIS 27 -7.372 7.468 -1.855 196 H GLY 28 HN GLY 28 -5.391 10.753 4.748 197 1HA GLY 28 HA2 GLY 28 -6.756 10.284 6.608 198 2HA GLY 28 HA1 GLY 28 -7.910 9.535 5.504 199 H ASP 29 HN ASP 29 -7.521 7.298 4.866 200 HA ASP 29 HA ASP 29 -5.596 5.811 6.586 201 1HB ASP 29 HB2 ASP 29 -8.574 5.457 6.297 202 2HB ASP 29 HB1 ASP 29 -7.541 4.165 6.909 203 H GLY 30 HN GLY 30 -6.309 6.527 3.561 204 1HA GLY 30 HA2 GLY 30 -6.008 5.421 1.510 205 2HA GLY 30 HA1 GLY 30 -5.066 4.230 2.414 206 H GLN 31 HN GLN 31 -8.129 4.571 3.796 207 HA GLN 31 HA GLN 31 -8.937 1.898 3.172 208 1HB GLN 31 HB2 GLN 31 -9.590 3.654 5.034 209 2HB GLN 31 HB1 GLN 31 -10.864 4.089 3.893 210 1HG GLN 31 HG2 GLN 31 -10.805 1.256 3.997 211 2HG GLN 31 HG1 GLN 31 -10.741 1.825 5.666 212 1HE2 GLN 31 HE21 GLN 31 -13.083 0.531 4.624 213 2HE2 GLN 31 HE22 GLN 31 -14.337 1.674 4.558 214 H SER 32 HN SER 32 -9.906 5.038 1.773 215 HA SER 32 HA SER 32 -11.853 3.900 -0.052 216 1HB SER 32 HB2 SER 32 -10.343 6.529 0.042 217 2HB SER 32 HB1 SER 32 -11.699 6.207 -1.035 218 HG SER 32 HG SER 32 -12.894 6.760 0.595 219 H TYR 33 HN TYR 33 -8.520 3.639 0.006 220 HA TYR 33 HA TYR 33 -7.698 4.119 -2.671 221 1HB TYR 33 HB2 TYR 33 -6.448 3.449 -0.465 222 2HB TYR 33 HB1 TYR 33 -6.725 1.797 -1.018 223 HD1 TYR 33 HD1 TYR 33 -4.456 4.442 -1.092 224 HD2 TYR 33 HD2 TYR 33 -6.212 1.485 -3.663 225 HE1 TYR 33 HE1 TYR 33 -2.537 4.657 -2.645 226 HE2 TYR 33 HE2 TYR 33 -4.292 1.700 -5.220 227 HH TYR 33 HH TYR 33 -2.080 4.249 -5.062 228 H ARG 34 HN ARG 34 -9.623 3.371 -3.915 229 HA ARG 34 HA ARG 34 -10.071 0.439 -4.008 230 1HB ARG 34 HB2 ARG 34 -11.559 2.846 -4.442 231 2HB ARG 34 HB1 ARG 34 -11.568 1.922 -5.945 232 1HG ARG 34 HG2 ARG 34 -12.731 0.165 -5.023 233 2HG ARG 34 HG1 ARG 34 -12.027 0.403 -3.423 234 1HD ARG 34 HD2 ARG 34 -13.417 2.636 -3.434 235 2HD ARG 34 HD1 ARG 34 -14.374 1.807 -4.678 236 HE ARG 34 HE ARG 34 -13.842 0.605 -1.984 237 1HH1 ARG 34 HH21 ARG 34 -15.018 -0.968 -4.357 238 2HH1 ARG 34 HH22 ARG 34 -16.703 -0.927 -3.959 239 1HH2 ARG 34 HH11 ARG 34 -16.365 1.612 -1.626 240 2HH2 ARG 34 HH12 ARG 34 -17.464 0.532 -2.417 241 H GLY 35 HN GLY 35 -7.519 1.633 -4.996 242 1HA GLY 35 HA2 GLY 35 -7.759 1.239 -7.933 243 2HA GLY 35 HA1 GLY 35 -6.358 1.921 -7.104 244 H SER 36 HN SER 36 -4.942 0.388 -8.137 245 HA SER 36 HA SER 36 -5.162 -2.376 -6.992 246 1HB SER 36 HB2 SER 36 -3.844 -2.721 -9.351 247 2HB SER 36 HB1 SER 36 -5.592 -2.860 -9.188 248 HG SER 36 HG SER 36 -4.288 -1.189 -10.697 249 H PHE 37 HN PHE 37 -3.705 -0.627 -5.539 250 HA PHE 37 HA PHE 37 -0.971 -0.247 -6.378 251 1HB PHE 37 HB2 PHE 37 -2.331 0.958 -4.580 252 2HB PHE 37 HB1 PHE 37 -2.048 -0.451 -3.558 253 HD1 PHE 37 HD1 PHE 37 -0.110 1.834 -5.822 254 HD2 PHE 37 HD2 PHE 37 -0.194 -0.396 -2.153 255 HE1 PHE 37 HE1 PHE 37 2.140 2.702 -5.244 256 HE2 PHE 37 HE2 PHE 37 2.056 0.472 -1.574 257 HZ PHE 37 HZ PHE 37 3.223 2.021 -3.120 258 H SER 38 HN SER 38 -1.038 -2.706 -7.163 259 HA SER 38 HA SER 38 -0.682 -4.801 -5.233 260 1HB SER 38 HB2 SER 38 0.628 -4.890 -7.908 261 2HB SER 38 HB1 SER 38 -0.431 -6.067 -7.140 262 HG SER 38 HG SER 38 -1.032 -4.076 -8.854 263 H THR 39 HN THR 39 1.018 -2.648 -4.348 264 HA THR 39 HA THR 39 3.697 -3.950 -4.660 265 HB THR 39 HB THR 39 3.324 -0.966 -4.430 266 HG1 THR 39 HG1 THR 39 3.444 -0.975 -6.749 267 1HG2 THR 39 HG21 THR 39 5.442 -2.510 -5.921 268 2HG2 THR 39 HG22 THR 39 5.562 -2.234 -4.183 269 3HG2 THR 39 HG23 THR 39 5.519 -0.864 -5.293 270 H THR 40 HN THR 40 4.631 -4.350 -2.663 271 HA THR 40 HA THR 40 3.210 -3.405 -0.250 272 HB THR 40 HB THR 40 4.679 -5.050 0.846 273 HG1 THR 40 HG1 THR 40 6.567 -4.835 -0.233 274 1HG2 THR 40 HG21 THR 40 2.863 -6.211 0.020 275 2HG2 THR 40 HG22 THR 40 4.151 -7.004 -0.886 276 3HG2 THR 40 HG23 THR 40 3.187 -5.739 -1.648 277 H VAL 41 HN VAL 41 4.617 -2.680 1.631 278 HA VAL 41 HA VAL 41 5.953 -0.250 1.085 279 HB VAL 41 HB VAL 41 5.752 -2.200 3.360 280 1HG1 VAL 41 HG11 VAL 41 7.706 0.082 3.137 281 2HG1 VAL 41 HG12 VAL 41 7.954 -1.527 3.815 282 3HG1 VAL 41 HG13 VAL 41 7.004 -0.335 4.701 283 1HG2 VAL 41 HG21 VAL 41 4.961 0.677 2.846 284 2HG2 VAL 41 HG22 VAL 41 4.808 -0.089 4.427 285 3HG2 VAL 41 HG23 VAL 41 3.897 -0.713 3.053 286 H THR 42 HN THR 42 7.282 -3.527 1.526 287 HA THR 42 HA THR 42 10.059 -2.715 1.435 288 HB THR 42 HB THR 42 8.710 -5.364 0.825 289 HG1 THR 42 HG1 THR 42 8.126 -5.003 2.836 290 1HG2 THR 42 HG21 THR 42 10.773 -6.254 0.679 291 2HG2 THR 42 HG22 THR 42 11.295 -5.433 2.150 292 3HG2 THR 42 HG23 THR 42 11.391 -4.604 0.598 293 H GLY 43 HN GLY 43 7.725 -2.629 -0.956 294 1HA GLY 43 HA2 GLY 43 7.994 -2.153 -3.258 295 2HA GLY 43 HA1 GLY 43 9.736 -2.360 -3.058 296 H ARG 44 HN ARG 44 8.114 -4.954 -1.684 297 HA ARG 44 HA ARG 44 9.043 -6.806 -3.734 298 1HB ARG 44 HB2 ARG 44 8.776 -6.938 -1.098 299 2HB ARG 44 HB1 ARG 44 7.157 -7.503 -1.511 300 1HG ARG 44 HG2 ARG 44 8.000 -9.545 -1.927 301 2HG ARG 44 HG1 ARG 44 8.969 -8.856 -3.230 302 1HD ARG 44 HD2 ARG 44 10.624 -9.777 -1.836 303 2HD ARG 44 HD1 ARG 44 10.553 -8.105 -1.244 304 HE ARG 44 HE ARG 44 8.570 -9.617 0.134 305 1HH1 ARG 44 HH11 ARG 44 10.626 -11.692 0.337 306 2HH1 ARG 44 HH12 ARG 44 11.565 -11.197 1.706 307 1HH2 ARG 44 HH21 ARG 44 10.368 -7.942 1.683 308 2HH2 ARG 44 HH22 ARG 44 11.418 -9.074 2.468 309 H THR 45 HN THR 45 6.983 -8.680 -3.719 310 HA THR 45 HA THR 45 4.808 -7.258 -5.219 311 HB THR 45 HB THR 45 5.971 -10.040 -5.589 312 HG1 THR 45 HG1 THR 45 6.185 -7.788 -7.284 313 1HG2 THR 45 HG21 THR 45 3.643 -8.595 -6.707 314 2HG2 THR 45 HG22 THR 45 3.925 -10.329 -6.555 315 3HG2 THR 45 HG23 THR 45 4.655 -9.431 -7.885 316 H CYS 46 HN CYS 46 2.967 -7.313 -3.971 317 HA CYS 46 HA CYS 46 2.579 -9.107 -1.794 318 1HB CYS 46 HB2 CYS 46 1.401 -7.132 -1.580 319 2HB CYS 46 HB1 CYS 46 1.047 -7.044 -3.301 320 H GLN 47 HN GLN 47 1.143 -10.909 -1.642 321 HA GLN 47 HA GLN 47 0.813 -12.410 -4.164 322 1HB GLN 47 HB2 GLN 47 1.681 -13.639 -2.314 323 2HB GLN 47 HB1 GLN 47 0.483 -12.973 -1.210 324 1HG GLN 47 HG2 GLN 47 -0.842 -14.276 -3.417 325 2HG GLN 47 HG1 GLN 47 0.308 -15.387 -2.672 326 1HE2 GLN 47 HE21 GLN 47 -1.747 -16.535 -1.903 327 2HE2 GLN 47 HE22 GLN 47 -2.496 -15.969 -0.489 328 H SER 48 HN SER 48 -1.110 -12.111 -5.289 329 HA SER 48 HA SER 48 -3.361 -10.691 -4.556 330 1HB SER 48 HB2 SER 48 -3.633 -13.323 -5.989 331 2HB SER 48 HB1 SER 48 -4.383 -11.776 -6.371 332 HG SER 48 HG SER 48 -2.783 -11.667 -7.746 333 H TRP 49 HN TRP 49 -5.413 -11.315 -3.597 334 HA TRP 49 HA TRP 49 -5.121 -13.061 -1.292 335 1HB TRP 49 HB2 TRP 49 -7.732 -12.007 -2.373 336 2HB TRP 49 HB1 TRP 49 -7.241 -12.227 -0.698 337 HD1 TRP 49 HD1 TRP 49 -6.910 -9.813 -3.622 338 HE1 TRP 49 HE1 TRP 49 -5.950 -7.598 -2.756 339 HE3 TRP 49 HE3 TRP 49 -5.765 -11.125 1.130 340 HZ2 TRP 49 HZ2 TRP 49 -4.855 -6.505 -0.379 341 HZ3 TRP 49 HZ3 TRP 49 -4.768 -9.491 2.706 342 HH2 TRP 49 HH2 TRP 49 -4.310 -7.171 1.953 343 H SER 50 HN SER 50 -6.458 -13.365 -4.527 344 HA SER 50 HA SER 50 -7.916 -15.840 -4.007 345 1HB SER 50 HB2 SER 50 -8.628 -14.367 -5.767 346 2HB SER 50 HB1 SER 50 -7.010 -14.318 -6.464 347 HG SER 50 HG SER 50 -8.843 -15.864 -7.251 348 H SER 51 HN SER 51 -4.680 -15.263 -3.954 349 HA SER 51 HA SER 51 -3.607 -17.346 -5.655 350 1HB SER 51 HB2 SER 51 -2.664 -15.662 -3.343 351 2HB SER 51 HB1 SER 51 -1.636 -16.942 -3.980 352 HG SER 51 HG SER 51 -1.251 -15.745 -5.663 353 H MET 52 HN MET 52 -3.396 -19.528 -5.213 354 HA MET 52 HA MET 52 -4.184 -20.431 -2.466 355 1HB MET 52 HB2 MET 52 -4.319 -22.055 -5.012 356 2HB MET 52 HB1 MET 52 -5.188 -22.323 -3.506 357 1HG MET 52 HG2 MET 52 -5.697 -19.699 -4.770 358 2HG MET 52 HG1 MET 52 -6.275 -21.090 -5.680 359 1HE MET 52 HE1 MET 52 -6.079 -19.160 -2.570 360 2HE MET 52 HE2 MET 52 -5.837 -20.703 -1.778 361 3HE MET 52 HE3 MET 52 -7.305 -19.790 -1.468 362 H THR 53 HN THR 53 -1.469 -19.878 -4.110 363 HA THR 53 HA THR 53 -0.164 -22.508 -3.732 364 HB THR 53 HB THR 53 1.736 -20.565 -4.405 365 HG1 THR 53 HG1 THR 53 -0.397 -20.071 -6.106 366 1HG2 THR 53 HG21 THR 53 0.379 -22.826 -5.577 367 2HG2 THR 53 HG22 THR 53 2.009 -22.228 -5.889 368 3HG2 THR 53 HG23 THR 53 0.643 -21.580 -6.796 369 HA PRO 54 HA PRO 54 2.343 -20.067 -0.523 370 1HB PRO 54 HB2 PRO 54 1.882 -17.392 -0.191 371 2HB PRO 54 HB1 PRO 54 3.026 -18.025 -1.391 372 1HG PRO 54 HG2 PRO 54 0.249 -17.031 -1.765 373 2HG PRO 54 HG1 PRO 54 1.667 -16.840 -2.807 374 1HD PRO 54 HD2 PRO 54 -0.337 -18.644 -3.273 375 2HD PRO 54 HD1 PRO 54 1.334 -18.840 -3.844 376 H HIS 55 HN HIS 55 0.032 -17.511 0.031 377 HA HIS 55 HA HIS 55 -1.019 -18.958 2.405 378 1HB HIS 55 HB2 HIS 55 -1.782 -16.161 1.598 379 2HB HIS 55 HB1 HIS 55 -1.511 -16.814 3.213 380 HD1 HIS 55 HD1 HIS 55 0.373 -15.660 0.145 381 HD2 HIS 55 HD2 HIS 55 1.150 -16.623 4.124 382 HE1 HIS 55 HE1 HIS 55 2.789 -15.060 0.562 383 H TRP 56 HN TRP 56 -3.057 -19.870 2.370 384 HA TRP 56 HA TRP 56 -4.684 -19.543 -0.082 385 1HB TRP 56 HB2 TRP 56 -4.013 -21.717 1.219 386 2HB TRP 56 HB1 TRP 56 -5.353 -21.279 2.279 387 HD1 TRP 56 HD1 TRP 56 -7.703 -20.653 0.806 388 HE1 TRP 56 HE1 TRP 56 -8.738 -21.993 -1.103 389 HE3 TRP 56 HE3 TRP 56 -3.621 -23.258 -0.668 390 HZ2 TRP 56 HZ2 TRP 56 -7.931 -23.923 -3.039 391 HZ3 TRP 56 HZ3 TRP 56 -3.769 -24.808 -2.573 392 HH2 TRP 56 HH2 TRP 56 -5.908 -25.168 -3.765 393 H HIS 57 HN HIS 57 -6.793 -18.746 -0.075 394 HA HIS 57 HA HIS 57 -8.466 -17.223 0.586 395 1HB HIS 57 HB2 HIS 57 -8.118 -19.246 2.796 396 2HB HIS 57 HB1 HIS 57 -9.385 -18.023 2.887 397 HD1 HIS 57 HD1 HIS 57 -10.019 -17.953 -0.202 398 HD2 HIS 57 HD2 HIS 57 -9.797 -21.409 2.119 399 HE1 HIS 57 HE1 HIS 57 -11.374 -19.717 -1.413 400 H GLN 58 HN GLN 58 -8.114 -17.218 3.943 401 HA GLN 58 HA GLN 58 -7.461 -15.480 5.406 402 1HB GLN 58 HB2 GLN 58 -5.265 -16.440 3.757 403 2HB GLN 58 HB1 GLN 58 -4.995 -14.772 4.257 404 1HG GLN 58 HG2 GLN 58 -4.449 -15.470 6.324 405 2HG GLN 58 HG1 GLN 58 -6.038 -16.217 6.496 406 1HE2 GLN 58 HE21 GLN 58 -2.717 -16.916 6.349 407 2HE2 GLN 58 HE22 GLN 58 -2.830 -18.577 6.020 408 H ARG 59 HN ARG 59 -8.923 -13.779 4.935 409 HA ARG 59 HA ARG 59 -9.655 -11.723 4.019 410 1HB ARG 59 HB2 ARG 59 -7.095 -11.568 5.001 411 2HB ARG 59 HB1 ARG 59 -6.881 -10.950 3.363 412 1HG ARG 59 HG2 ARG 59 -7.569 -8.975 4.266 413 2HG ARG 59 HG1 ARG 59 -9.180 -9.674 4.103 414 1HD ARG 59 HD2 ARG 59 -7.530 -10.207 6.577 415 2HD ARG 59 HD1 ARG 59 -8.520 -8.740 6.438 416 HE ARG 59 HE ARG 59 -10.180 -10.846 5.616 417 1HH1 ARG 59 HH21 ARG 59 -8.053 -10.931 8.237 418 2HH1 ARG 59 HH22 ARG 59 -9.267 -11.259 9.427 419 1HH2 ARG 59 HH11 ARG 59 -11.915 -10.845 7.225 420 2HH2 ARG 59 HH12 ARG 59 -11.454 -11.213 8.854 421 H THR 60 HN THR 60 -10.522 -12.908 2.106 422 HA THR 60 HA THR 60 -9.052 -12.152 -0.394 423 HB THR 60 HB THR 60 -8.629 -14.458 -0.277 424 HG1 THR 60 HG1 THR 60 -10.484 -15.417 -1.542 425 1HG2 THR 60 HG21 THR 60 -11.424 -14.845 0.819 426 2HG2 THR 60 HG22 THR 60 -9.951 -14.832 1.790 427 3HG2 THR 60 HG23 THR 60 -10.213 -16.109 0.602 428 H THR 61 HN THR 61 -10.591 -12.326 -2.315 429 HA THR 61 HA THR 61 -12.961 -10.778 -1.837 430 HB THR 61 HB THR 61 -13.344 -11.861 -4.282 431 HG1 THR 61 HG1 THR 61 -11.537 -13.309 -3.802 432 1HG2 THR 61 HG21 THR 61 -12.693 -9.482 -3.466 433 2HG2 THR 61 HG22 THR 61 -12.293 -9.940 -5.123 434 3HG2 THR 61 HG23 THR 61 -11.047 -9.966 -3.875 435 H GLU 62 HN GLU 62 -12.230 -14.106 -1.427 436 HA GLU 62 HA GLU 62 -14.857 -15.156 -1.961 437 1HB GLU 62 HB2 GLU 62 -12.324 -16.153 -1.484 438 2HB GLU 62 HB1 GLU 62 -13.164 -16.532 0.020 439 1HG GLU 62 HG2 GLU 62 -14.073 -18.309 -1.021 440 2HG GLU 62 HG1 GLU 62 -14.984 -17.178 -2.022 441 H TYR 63 HN TYR 63 -13.243 -13.587 0.650 442 HA TYR 63 HA TYR 63 -15.530 -14.088 2.474 443 1HB TYR 63 HB2 TYR 63 -12.660 -13.606 2.697 444 2HB TYR 63 HB1 TYR 63 -13.583 -12.527 3.746 445 HD1 TYR 63 HD1 TYR 63 -14.809 -15.847 2.711 446 HD2 TYR 63 HD2 TYR 63 -12.914 -13.586 5.834 447 HE1 TYR 63 HE1 TYR 63 -15.193 -17.715 4.296 448 HE2 TYR 63 HE2 TYR 63 -13.298 -15.454 7.420 449 HH TYR 63 HH TYR 63 -13.747 -18.356 6.762 450 H TYR 64 HN TYR 64 -14.592 -11.940 0.083 451 HA TYR 64 HA TYR 64 -16.397 -9.851 1.203 452 1HB TYR 64 HB2 TYR 64 -13.447 -9.673 0.804 453 2HB TYR 64 HB1 TYR 64 -14.402 -8.252 0.379 454 HD1 TYR 64 HD1 TYR 64 -12.606 -9.662 2.971 455 HD2 TYR 64 HD2 TYR 64 -16.427 -7.858 2.203 456 HE1 TYR 64 HE1 TYR 64 -12.815 -9.082 5.373 457 HE2 TYR 64 HE2 TYR 64 -16.637 -7.278 4.605 458 HH TYR 64 HH TYR 64 -14.515 -8.555 6.996 459 HA PRO 65 HA PRO 65 -17.178 -10.283 -3.226 460 1HB PRO 65 HB2 PRO 65 -19.771 -9.429 -3.072 461 2HB PRO 65 HB1 PRO 65 -19.284 -11.095 -2.699 462 1HG PRO 65 HG2 PRO 65 -19.927 -8.855 -0.857 463 2HG PRO 65 HG1 PRO 65 -20.268 -10.585 -0.697 464 1HD PRO 65 HD2 PRO 65 -18.226 -9.285 0.599 465 2HD PRO 65 HD1 PRO 65 -18.238 -11.025 0.239 466 H ASN 66 HN ASN 66 -17.736 -7.581 -1.038 467 HA ASN 66 HA ASN 66 -17.477 -5.684 -3.350 468 1HB ASN 66 HB2 ASN 66 -19.608 -5.900 -1.825 469 2HB ASN 66 HB1 ASN 66 -18.638 -4.998 -0.660 470 1HD2 ASN 66 HD21 ASN 66 -17.589 -2.915 -1.626 471 2HD2 ASN 66 HD22 ASN 66 -18.534 -2.028 -2.722 472 H GLY 67 HN GLY 67 -15.135 -6.757 -2.208 473 1HA GLY 67 HA2 GLY 67 -14.165 -4.648 -0.341 474 2HA GLY 67 HA1 GLY 67 -13.368 -6.196 -0.630 475 H GLY 68 HN GLY 68 -13.735 -5.950 -3.568 476 1HA GLY 68 HA2 GLY 68 -12.808 -4.724 -5.406 477 2HA GLY 68 HA1 GLY 68 -12.093 -3.590 -4.255 478 H LEU 69 HN LEU 69 -11.616 -6.769 -3.251 479 HA LEU 69 HA LEU 69 -8.758 -6.611 -3.696 480 1HB LEU 69 HB2 LEU 69 -10.705 -8.646 -2.600 481 2HB LEU 69 HB1 LEU 69 -8.978 -8.992 -2.709 482 HG LEU 69 HG LEU 69 -10.306 -6.756 -1.166 483 1HD1 LEU 69 HD11 LEU 69 -10.261 -8.991 -0.091 484 2HD1 LEU 69 HD12 LEU 69 -9.218 -7.847 0.755 485 3HD1 LEU 69 HD13 LEU 69 -8.513 -9.054 -0.322 486 1HD2 LEU 69 HD21 LEU 69 -8.422 -5.581 -1.584 487 2HD2 LEU 69 HD22 LEU 69 -7.628 -6.969 -2.313 488 3HD2 LEU 69 HD23 LEU 69 -7.590 -6.753 -0.565 489 H THR 70 HN THR 70 -9.468 -6.357 -6.148 490 HA THR 70 HA THR 70 -9.908 -8.915 -7.546 491 HB THR 70 HB THR 70 -9.547 -6.012 -8.295 492 HG1 THR 70 HG1 THR 70 -11.639 -7.674 -9.097 493 1HG2 THR 70 HG21 THR 70 -8.376 -7.330 -10.007 494 2HG2 THR 70 HG22 THR 70 -9.876 -6.668 -10.655 495 3HG2 THR 70 HG23 THR 70 -9.791 -8.367 -10.189 496 H ARG 71 HN ARG 71 -8.202 -10.251 -8.033 497 HA ARG 71 HA ARG 71 -6.006 -10.936 -8.597 498 1HB ARG 71 HB2 ARG 71 -6.656 -8.984 -10.256 499 2HB ARG 71 HB1 ARG 71 -5.456 -8.074 -9.339 500 1HG ARG 71 HG2 ARG 71 -3.989 -10.246 -9.729 501 2HG ARG 71 HG1 ARG 71 -5.080 -10.470 -11.097 502 1HD ARG 71 HD2 ARG 71 -4.209 -7.703 -10.949 503 2HD ARG 71 HD1 ARG 71 -2.817 -8.801 -11.041 504 HE ARG 71 HE ARG 71 -4.916 -9.613 -12.861 505 1HH1 ARG 71 HH21 ARG 71 -2.354 -7.351 -12.356 506 2HH1 ARG 71 HH22 ARG 71 -2.039 -7.137 -14.045 507 1HH2 ARG 71 HH11 ARG 71 -4.499 -9.356 -15.062 508 2HH2 ARG 71 HH12 ARG 71 -3.252 -8.271 -15.575 509 H ASN 72 HN ASN 72 -3.741 -8.909 -8.435 510 HA ASN 72 HA ASN 72 -3.283 -9.153 -5.541 511 1HB ASN 72 HB2 ASN 72 -1.519 -9.944 -6.932 512 2HB ASN 72 HB1 ASN 72 -1.638 -8.547 -8.005 513 1HD2 ASN 72 HD21 ASN 72 -1.901 -7.975 -4.586 514 2HD2 ASN 72 HD22 ASN 72 -0.376 -7.273 -4.396 515 H TYR 73 HN TYR 73 -5.119 -7.350 -5.469 516 HA TYR 73 HA TYR 73 -3.950 -4.629 -5.916 517 1HB TYR 73 HB2 TYR 73 -6.749 -5.713 -5.448 518 2HB TYR 73 HB1 TYR 73 -6.390 -3.991 -5.534 519 HD1 TYR 73 HD1 TYR 73 -4.030 -5.381 -7.628 520 HD2 TYR 73 HD2 TYR 73 -8.270 -4.706 -7.452 521 HE1 TYR 73 HE1 TYR 73 -4.150 -5.486 -10.102 522 HE2 TYR 73 HE2 TYR 73 -8.388 -4.812 -9.927 523 HH TYR 73 HH TYR 73 -7.222 -5.516 -11.793 524 H CYS 74 HN CYS 74 -3.269 -3.510 -4.146 525 HA CYS 74 HA CYS 74 -3.348 -4.595 -1.472 526 1HB CYS 74 HB2 CYS 74 -1.588 -3.131 -2.501 527 2HB CYS 74 HB1 CYS 74 -2.733 -1.792 -2.457 528 H ARG 75 HN ARG 75 -4.803 -4.171 0.163 529 HA ARG 75 HA ARG 75 -6.767 -1.949 -0.187 530 1HB ARG 75 HB2 ARG 75 -7.175 -4.813 -0.427 531 2HB ARG 75 HB1 ARG 75 -8.171 -4.148 0.867 532 1HG ARG 75 HG2 ARG 75 -9.407 -4.026 -1.234 533 2HG ARG 75 HG1 ARG 75 -8.983 -2.393 -0.719 534 1HD ARG 75 HD2 ARG 75 -7.548 -2.076 -2.480 535 2HD ARG 75 HD1 ARG 75 -6.993 -3.762 -2.458 536 HE ARG 75 HE ARG 75 -8.980 -4.395 -3.699 537 1HH1 ARG 75 HH11 ARG 75 -10.812 -2.293 -2.520 538 2HH1 ARG 75 HH12 ARG 75 -11.072 -1.256 -3.883 539 1HH2 ARG 75 HH21 ARG 75 -8.388 -2.512 -5.684 540 2HH2 ARG 75 HH22 ARG 75 -9.698 -1.379 -5.673 541 H ASN 76 HN ASN 76 -8.013 -1.634 1.935 542 HA ASN 76 HA ASN 76 -6.296 -2.382 4.281 543 1HB ASN 76 HB2 ASN 76 -6.209 0.017 3.371 544 2HB ASN 76 HB1 ASN 76 -7.868 0.179 3.939 545 1HD2 ASN 76 HD21 ASN 76 -6.678 1.895 5.377 546 2HD2 ASN 76 HD22 ASN 76 -6.062 1.338 6.857 547 HA PRO 77 HA PRO 77 -10.719 -3.686 4.916 548 1HB PRO 77 HB2 PRO 77 -10.136 -6.252 5.674 549 2HB PRO 77 HB1 PRO 77 -10.384 -5.780 3.981 550 1HG PRO 77 HG2 PRO 77 -7.844 -6.227 5.466 551 2HG PRO 77 HG1 PRO 77 -8.269 -6.662 3.804 552 1HD PRO 77 HD2 PRO 77 -6.736 -4.505 4.435 553 2HD PRO 77 HD1 PRO 77 -7.769 -4.579 2.990 554 H ASP 78 HN ASP 78 -7.876 -3.265 6.666 555 HA ASP 78 HA ASP 78 -9.139 -3.952 9.284 556 1HB ASP 78 HB2 ASP 78 -6.318 -3.414 8.321 557 2HB ASP 78 HB1 ASP 78 -6.715 -3.539 10.035 558 H ALA 79 HN ALA 79 -8.442 -1.317 7.216 559 HA ALA 79 HA ALA 79 -8.773 1.005 7.509 560 1HB ALA 79 HB1 ALA 79 -10.396 -0.424 9.409 561 2HB ALA 79 HB2 ALA 79 -10.719 1.133 8.644 562 3HB ALA 79 HB3 ALA 79 -9.811 1.064 10.154 563 H GLU 80 HN GLU 80 -6.205 -0.059 8.165 564 HA GLU 80 HA GLU 80 -5.413 1.219 10.727 565 1HB GLU 80 HB2 GLU 80 -3.536 -0.069 8.758 566 2HB GLU 80 HB1 GLU 80 -3.472 -0.079 10.518 567 1HG GLU 80 HG2 GLU 80 -5.885 -1.338 9.948 568 2HG GLU 80 HG1 GLU 80 -4.795 -1.942 8.699 569 H ILE 81 HN ILE 81 -2.810 2.028 9.989 570 HA ILE 81 HA ILE 81 -3.080 4.676 9.157 571 HB ILE 81 HB ILE 81 -0.658 4.368 8.437 572 1HG1 ILE 81 HG12 ILE 81 -0.153 1.819 9.465 573 2HG1 ILE 81 HG11 ILE 81 -1.570 1.606 8.439 574 1HG2 ILE 81 HG21 ILE 81 -1.352 3.060 11.077 575 2HG2 ILE 81 HG22 ILE 81 -1.419 4.802 10.806 576 3HG2 ILE 81 HG23 ILE 81 0.119 3.948 10.680 577 1HD1 ILE 81 HD11 ILE 81 -0.147 3.160 6.798 578 2HD1 ILE 81 HD12 ILE 81 0.071 1.410 6.832 579 3HD1 ILE 81 HD13 ILE 81 1.193 2.456 7.703 580 H SER 82 HN SER 82 -2.940 1.757 7.209 581 HA SER 82 HA SER 82 -4.105 3.053 4.896 582 1HB SER 82 HB2 SER 82 -2.235 3.622 3.729 583 2HB SER 82 HB1 SER 82 -1.395 3.489 5.271 584 HG SER 82 HG SER 82 -0.310 2.071 4.092 585 HA PRO 83 HA PRO 83 -4.753 -1.107 3.680 586 1HB PRO 83 HB2 PRO 83 -4.162 -1.206 1.011 587 2HB PRO 83 HB1 PRO 83 -5.593 -0.378 1.656 588 1HG PRO 83 HG2 PRO 83 -3.009 0.752 0.734 589 2HG PRO 83 HG1 PRO 83 -4.647 1.398 0.570 590 1HD PRO 83 HD2 PRO 83 -2.825 2.272 2.428 591 2HD PRO 83 HD1 PRO 83 -4.587 2.413 2.612 592 H TRP 84 HN TRP 84 -3.726 -3.144 3.317 593 HA TRP 84 HA TRP 84 -0.747 -3.043 2.984 594 1HB TRP 84 HB2 TRP 84 -0.853 -5.082 4.575 595 2HB TRP 84 HB1 TRP 84 -1.137 -3.495 5.282 596 HD1 TRP 84 HD1 TRP 84 -3.821 -2.799 5.537 597 HE1 TRP 84 HE1 TRP 84 -5.801 -4.308 6.208 598 HE3 TRP 84 HE3 TRP 84 -1.809 -7.386 4.547 599 HZ2 TRP 84 HZ2 TRP 84 -6.442 -7.096 6.315 600 HZ3 TRP 84 HZ3 TRP 84 -3.122 -9.449 4.943 601 HH2 TRP 84 HH2 TRP 84 -5.436 -9.309 5.825 602 H CYS 85 HN CYS 85 -0.364 -5.870 2.877 603 HA CYS 85 HA CYS 85 -2.239 -7.118 1.052 604 1HB CYS 85 HB2 CYS 85 -0.979 -5.068 -0.095 605 2HB CYS 85 HB1 CYS 85 0.285 -6.276 -0.315 606 H TYR 86 HN TYR 86 -1.736 -9.296 0.858 607 HA TYR 86 HA TYR 86 0.230 -10.529 2.479 608 1HB TYR 86 HB2 TYR 86 -1.415 -11.295 0.075 609 2HB TYR 86 HB1 TYR 86 -0.236 -12.438 0.724 610 HD1 TYR 86 HD1 TYR 86 -0.289 -12.713 3.358 611 HD2 TYR 86 HD2 TYR 86 -3.572 -11.294 0.985 612 HE1 TYR 86 HE1 TYR 86 -1.856 -13.305 5.183 613 HE2 TYR 86 HE2 TYR 86 -5.145 -11.887 2.812 614 HH TYR 86 HH TYR 86 -3.953 -13.238 5.892 615 H THR 87 HN THR 87 1.833 -12.194 1.043 616 HA THR 87 HA THR 87 3.426 -10.376 -0.743 617 HB THR 87 HB THR 87 5.252 -12.081 0.368 618 HG1 THR 87 HG1 THR 87 4.262 -12.989 1.962 619 1HG2 THR 87 HG21 THR 87 4.771 -9.815 2.121 620 2HG2 THR 87 HG22 THR 87 4.655 -9.360 0.421 621 3HG2 THR 87 HG23 THR 87 6.123 -10.122 1.032 622 H MET 88 HN MET 88 3.986 -11.262 -2.692 623 HA MET 88 HA MET 88 3.003 -13.864 -3.509 624 1HB MET 88 HB2 MET 88 3.660 -11.518 -4.707 625 2HB MET 88 HB1 MET 88 5.109 -12.463 -5.058 626 1HG MET 88 HG2 MET 88 2.672 -14.014 -5.467 627 2HG MET 88 HG1 MET 88 2.708 -12.563 -6.469 628 1HE MET 88 HE1 MET 88 5.139 -12.729 -8.908 629 2HE MET 88 HE2 MET 88 3.660 -12.127 -8.163 630 3HE MET 88 HE3 MET 88 3.603 -13.562 -9.185 631 H ASP 89 HN ASP 89 5.422 -13.403 -1.385 632 HA ASP 89 HA ASP 89 7.145 -15.518 -2.602 633 1HB ASP 89 HB2 ASP 89 7.758 -13.127 -0.840 634 2HB ASP 89 HB1 ASP 89 8.926 -14.411 -1.153 635 HA PRO 90 HA PRO 90 6.019 -17.841 0.965 636 1HB PRO 90 HB2 PRO 90 8.010 -19.714 0.833 637 2HB PRO 90 HB1 PRO 90 6.623 -19.700 -0.275 638 1HG PRO 90 HG2 PRO 90 9.412 -18.782 -0.724 639 2HG PRO 90 HG1 PRO 90 8.285 -19.563 -1.842 640 1HD PRO 90 HD2 PRO 90 8.838 -16.864 -1.819 641 2HD PRO 90 HD1 PRO 90 7.351 -17.581 -2.476 642 H ASN 91 HN ASN 91 8.449 -15.674 0.901 643 HA ASN 91 HA ASN 91 9.704 -16.569 3.460 644 1HB ASN 91 HB2 ASN 91 10.557 -15.217 1.026 645 2HB ASN 91 HB1 ASN 91 10.964 -14.264 2.454 646 1HD2 ASN 91 HD21 ASN 91 11.289 -17.576 1.099 647 2HD2 ASN 91 HD22 ASN 91 12.712 -17.948 1.948 648 H VAL 92 HN VAL 92 7.229 -14.634 2.288 649 HA VAL 92 HA VAL 92 7.338 -12.909 4.731 650 HB VAL 92 HB VAL 92 6.579 -12.100 1.895 651 1HG1 VAL 92 HG11 VAL 92 5.416 -10.851 3.705 652 2HG1 VAL 92 HG12 VAL 92 6.561 -9.824 2.841 653 3HG1 VAL 92 HG13 VAL 92 6.977 -10.466 4.428 654 1HG2 VAL 92 HG21 VAL 92 8.713 -10.657 2.256 655 2HG2 VAL 92 HG22 VAL 92 8.927 -12.361 1.858 656 3HG2 VAL 92 HG23 VAL 92 9.106 -11.815 3.526 657 H ARG 93 HN ARG 93 5.357 -12.846 5.796 658 HA ARG 93 HA ARG 93 3.181 -14.506 4.850 659 1HB ARG 93 HB2 ARG 93 4.002 -14.039 7.253 660 2HB ARG 93 HB1 ARG 93 3.149 -12.502 7.113 661 1HG ARG 93 HG2 ARG 93 1.111 -13.923 6.390 662 2HG ARG 93 HG1 ARG 93 2.004 -15.293 7.053 663 1HD ARG 93 HD2 ARG 93 1.563 -14.662 9.193 664 2HD ARG 93 HD1 ARG 93 1.984 -12.971 8.855 665 HE ARG 93 HE ARG 93 -0.373 -13.184 7.527 666 1HH1 ARG 93 HH11 ARG 93 -0.179 -11.885 10.263 667 2HH1 ARG 93 HH12 ARG 93 -1.396 -12.752 11.141 668 1HH2 ARG 93 HH21 ARG 93 -1.609 -15.324 8.826 669 2HH2 ARG 93 HH22 ARG 93 -2.205 -14.698 10.326 670 H TRP 94 HN TRP 94 3.441 -11.046 5.664 671 HA TRP 94 HA TRP 94 1.852 -10.289 3.300 672 1HB TRP 94 HB2 TRP 94 0.038 -9.354 4.577 673 2HB TRP 94 HB1 TRP 94 0.291 -10.979 5.211 674 HD1 TRP 94 HD1 TRP 94 1.320 -11.228 7.623 675 HE1 TRP 94 HE1 TRP 94 1.632 -9.561 9.564 676 HE3 TRP 94 HE3 TRP 94 0.538 -6.834 5.144 677 HZ2 TRP 94 HZ2 TRP 94 1.557 -6.736 10.008 678 HZ3 TRP 94 HZ3 TRP 94 0.662 -4.671 6.349 679 HH2 TRP 94 HH2 TRP 94 1.170 -4.618 8.775 680 H GLU 95 HN GLU 95 1.648 -7.724 3.365 681 HA GLU 95 HA GLU 95 3.713 -6.435 5.041 682 1HB GLU 95 HB2 GLU 95 4.916 -7.569 3.170 683 2HB GLU 95 HB1 GLU 95 3.982 -6.605 2.025 684 1HG GLU 95 HG2 GLU 95 6.063 -5.458 2.324 685 2HG GLU 95 HG1 GLU 95 4.860 -4.543 3.233 686 H TYR 96 HN TYR 96 3.370 -4.225 5.210 687 HA TYR 96 HA TYR 96 0.871 -3.095 4.366 688 1HB TYR 96 HB2 TYR 96 3.317 -2.361 5.812 689 2HB TYR 96 HB1 TYR 96 2.626 -1.003 4.925 690 HD1 TYR 96 HD1 TYR 96 -0.130 -1.061 5.056 691 HD2 TYR 96 HD2 TYR 96 2.610 -2.542 8.015 692 HE1 TYR 96 HE1 TYR 96 -1.876 -0.810 6.798 693 HE2 TYR 96 HE2 TYR 96 0.862 -2.293 9.758 694 HH TYR 96 HH TYR 96 -2.391 -1.826 9.042 695 H CYS 97 HN CYS 97 0.806 -1.056 2.942 696 HA CYS 97 HA CYS 97 2.496 -1.524 0.520 697 1HB CYS 97 HB2 CYS 97 -0.254 -0.434 1.083 698 2HB CYS 97 HB1 CYS 97 0.553 -0.043 -0.437 699 H ASN 98 HN ASN 98 3.699 0.196 -0.346 700 HA ASN 98 HA ASN 98 4.720 2.234 1.321 701 1HB ASN 98 HB2 ASN 98 4.413 1.977 -1.682 702 2HB ASN 98 HB1 ASN 98 5.357 3.263 -0.929 703 1HD2 ASN 98 HD21 ASN 98 5.664 0.195 -2.236 704 2HD2 ASN 98 HD22 ASN 98 7.077 -0.300 -1.436 705 H LEU 99 HN LEU 99 2.692 3.130 2.345 706 HA LEU 99 HA LEU 99 1.547 5.282 0.622 707 1HB LEU 99 HB2 LEU 99 0.026 3.336 2.383 708 2HB LEU 99 HB1 LEU 99 -0.689 4.668 1.477 709 HG LEU 99 HG LEU 99 0.908 2.447 0.185 710 1HD1 LEU 99 HD11 LEU 99 -2.024 2.731 0.797 711 2HD1 LEU 99 HD12 LEU 99 -0.987 1.316 0.980 712 3HD1 LEU 99 HD13 LEU 99 -1.498 1.834 -0.627 713 1HD2 LEU 99 HD21 LEU 99 -0.832 4.711 -0.824 714 2HD2 LEU 99 HD22 LEU 99 -0.388 3.337 -1.836 715 3HD2 LEU 99 HD23 LEU 99 0.864 4.404 -1.200 716 H THR 100 HN THR 100 0.794 7.092 1.805 717 HA THR 100 HA THR 100 0.981 7.236 4.711 718 HB THR 100 HB THR 100 2.687 9.195 4.259 719 HG1 THR 100 HG1 THR 100 4.071 8.568 2.508 720 1HG2 THR 100 HG21 THR 100 4.151 7.815 5.294 721 2HG2 THR 100 HG22 THR 100 4.156 6.690 3.937 722 3HG2 THR 100 HG23 THR 100 2.896 6.582 5.166 723 H GLN 101 HN GLN 101 0.161 9.401 5.416 724 HA GLN 101 HA GLN 101 -2.041 10.371 3.964 725 1HB GLN 101 HB2 GLN 101 -0.263 11.295 6.152 726 2HB GLN 101 HB1 GLN 101 -1.184 12.570 5.349 727 1HG GLN 101 HG2 GLN 101 -3.240 11.666 5.972 728 2HG GLN 101 HG1 GLN 101 -2.585 10.038 6.151 729 1HE2 GLN 101 HE21 GLN 101 -3.809 12.471 7.997 730 2HE2 GLN 101 HE22 GLN 101 -2.923 12.235 9.426 731 H CYS 102 HN CYS 102 -1.574 10.681 1.741 732 HA CYS 102 HA CYS 102 0.556 11.721 0.404 733 1HB CYS 102 HB2 CYS 102 -2.344 12.528 0.016 734 2HB CYS 102 HB1 CYS 102 -1.084 12.610 -1.215 735 HA PRO 103 HA PRO 103 0.907 15.721 2.429 736 1HB PRO 103 HB2 PRO 103 3.485 16.171 1.652 737 2HB PRO 103 HB1 PRO 103 3.063 15.122 3.018 738 1HG PRO 103 HG2 PRO 103 3.924 14.403 0.281 739 2HG PRO 103 HG1 PRO 103 4.197 13.561 1.812 740 1HD PRO 103 HD2 PRO 103 2.308 12.865 -0.109 741 2HD PRO 103 HD1 PRO 103 2.317 12.319 1.581 742 H VAL 104 HN VAL 104 1.369 14.823 -0.906 743 HA VAL 104 HA VAL 104 1.398 17.673 -1.780 744 HB VAL 104 HB VAL 104 1.827 15.023 -3.193 745 1HG1 VAL 104 HG11 VAL 104 2.574 16.394 -5.103 746 2HG1 VAL 104 HG12 VAL 104 2.145 17.860 -4.222 747 3HG1 VAL 104 HG13 VAL 104 0.886 16.727 -4.715 748 1HG2 VAL 104 HG21 VAL 104 3.982 15.236 -2.564 749 2HG2 VAL 104 HG22 VAL 104 3.503 16.590 -1.542 750 3HG2 VAL 104 HG23 VAL 104 4.044 16.881 -3.195 751 H THR 105 HN THR 105 -0.823 15.165 -1.238 752 HA THR 105 HA THR 105 -2.604 15.432 -3.462 753 HB THR 105 HB THR 105 -2.560 13.656 -1.663 754 HG1 THR 105 HG1 THR 105 -4.419 14.236 -3.069 755 1HG2 THR 105 HG21 THR 105 -2.388 15.444 0.178 756 2HG2 THR 105 HG22 THR 105 -3.471 14.087 0.484 757 3HG2 THR 105 HG23 THR 105 -4.129 15.643 -0.020 758 H GLU 106 HN GLU 106 -4.934 16.357 -3.028 759 HA GLU 106 HA GLU 106 -5.314 18.557 -1.261 760 1HB GLU 106 HB2 GLU 106 -4.930 20.407 -2.799 761 2HB GLU 106 HB1 GLU 106 -3.471 19.420 -2.747 762 1HG GLU 106 HG2 GLU 106 -5.255 18.375 -4.751 763 2HG GLU 106 HG1 GLU 106 -5.007 20.099 -5.029 764 H SER 107 HN SER 107 -7.389 19.642 -1.694 765 HA SER 107 HA SER 107 -9.020 18.544 -3.920 766 1HB SER 107 HB2 SER 107 -10.562 17.485 -2.486 767 2HB SER 107 HB1 SER 107 -9.012 17.107 -1.739 768 HG SER 107 HG SER 107 -9.497 18.359 -0.107 769 H SER 108 HN SER 108 -11.298 19.615 -3.793 770 HA SER 108 HA SER 108 -10.979 22.450 -2.857 771 1HB SER 108 HB2 SER 108 -12.734 21.510 -5.122 772 2HB SER 108 HB1 SER 108 -12.045 23.110 -4.860 773 HG SER 108 HG SER 108 -10.239 22.471 -5.751 774 H VAL 109 HN VAL 109 -12.471 23.062 -1.340 775 HA VAL 109 HA VAL 109 -14.870 21.329 -0.923 776 HB VAL 109 HB VAL 109 -13.564 23.446 0.821 777 1HG1 VAL 109 HG11 VAL 109 -15.471 23.247 2.012 778 2HG1 VAL 109 HG12 VAL 109 -14.974 21.594 2.375 779 3HG1 VAL 109 HG13 VAL 109 -16.034 21.915 1.003 780 1HG2 VAL 109 HG21 VAL 109 -12.325 21.196 0.170 781 2HG2 VAL 109 HG22 VAL 109 -13.437 20.495 1.347 782 3HG2 VAL 109 HG23 VAL 109 -12.317 21.765 1.839 783 H LEU 110 HN LEU 110 -16.304 22.238 -2.489 784 HA LEU 110 HA LEU 110 -16.730 25.157 -2.562 785 1HB LEU 110 HB2 LEU 110 -17.842 22.736 -3.998 786 2HB LEU 110 HB1 LEU 110 -18.462 24.362 -4.289 787 HG LEU 110 HG LEU 110 -15.550 24.299 -4.344 788 1HD1 LEU 110 HD11 LEU 110 -15.167 22.475 -5.602 789 2HD1 LEU 110 HD12 LEU 110 -16.275 23.092 -6.828 790 3HD1 LEU 110 HD13 LEU 110 -16.879 22.059 -5.532 791 1HD2 LEU 110 HD21 LEU 110 -16.588 26.178 -5.299 792 2HD2 LEU 110 HD22 LEU 110 -17.827 25.208 -6.095 793 3HD2 LEU 110 HD23 LEU 110 -16.178 25.217 -6.719 794 H ALA 111 HN ALA 111 -18.370 26.194 -1.473 795 HA ALA 111 HA ALA 111 -20.073 24.638 0.360 796 1HB ALA 111 HB1 ALA 111 -19.769 26.556 1.513 797 2HB ALA 111 HB2 ALA 111 -20.700 27.423 0.292 798 3HB ALA 111 HB3 ALA 111 -18.951 27.268 0.122 799 H THR 112 HN THR 112 -20.340 25.111 -2.828 800 HA THR 112 HA THR 112 -23.316 25.154 -2.730 801 HB THR 112 HB THR 112 -21.682 26.892 -4.599 802 HG1 THR 112 HG1 THR 112 -21.425 28.118 -2.929 803 1HG2 THR 112 HG21 THR 112 -24.605 26.926 -3.801 804 2HG2 THR 112 HG22 THR 112 -23.972 26.292 -5.320 805 3HG2 THR 112 HG23 THR 112 -23.835 28.012 -4.957 806 H SER 113 HN SER 113 -20.980 23.250 -3.420 807 HA SER 113 HA SER 113 -21.305 22.763 -6.300 808 1HB SER 113 HB2 SER 113 -19.859 20.728 -5.558 809 2HB SER 113 HB1 SER 113 -19.158 22.337 -5.409 810 HG SER 113 HG SER 113 -18.971 20.984 -3.506 811 H THR 114 HN THR 114 -23.809 22.628 -4.980 812 HA THR 114 HA THR 114 -24.370 19.683 -4.889 813 HB THR 114 HB THR 114 -25.767 22.089 -3.675 814 HG1 THR 114 HG1 THR 114 -24.578 21.640 -2.024 815 1HG2 THR 114 HG21 THR 114 -26.676 19.649 -2.555 816 2HG2 THR 114 HG22 THR 114 -26.762 19.466 -4.306 817 3HG2 THR 114 HG23 THR 114 -27.601 20.801 -3.517 818 H ALA 115 HN ALA 115 -25.576 18.906 -6.577 819 HA ALA 115 HA ALA 115 -27.603 20.636 -7.873 820 1HB ALA 115 HB1 ALA 115 -26.117 19.450 -9.977 821 2HB ALA 115 HB2 ALA 115 -24.938 20.157 -8.872 822 3HB ALA 115 HB3 ALA 115 -26.207 21.164 -9.568 823 H VAL 116 HN VAL 116 -28.202 19.036 -10.042 824 HA VAL 116 HA VAL 116 -28.771 16.357 -8.809 825 HB VAL 116 HB VAL 116 -30.491 18.153 -10.550 826 1HG1 VAL 116 HG11 VAL 116 -32.103 16.461 -10.629 827 2HG1 VAL 116 HG12 VAL 116 -31.419 15.609 -9.245 828 3HG1 VAL 116 HG13 VAL 116 -30.607 15.544 -10.809 829 1HG2 VAL 116 HG21 VAL 116 -30.171 18.669 -8.046 830 2HG2 VAL 116 HG22 VAL 116 -31.041 17.164 -7.746 831 3HG2 VAL 116 HG23 VAL 116 -31.831 18.482 -8.612 832 H SER 117 HN SER 117 -26.858 15.552 -9.994 833 HA SER 117 HA SER 117 -27.140 15.514 -12.970 834 1HB SER 117 HB2 SER 117 -24.970 15.530 -10.990 835 2HB SER 117 HB1 SER 117 -24.725 14.352 -12.276 836 HG SER 117 HG SER 117 -24.061 16.715 -12.538 837 H GLU 118 HN GLU 118 -27.946 13.658 -13.866 838 HA GLU 118 HA GLU 118 -27.403 11.051 -12.519 839 1HB GLU 118 HB2 GLU 118 -29.967 12.483 -12.884 840 2HB GLU 118 HB1 GLU 118 -30.002 10.776 -13.328 841 1HG GLU 118 HG2 GLU 118 -29.691 10.072 -11.175 842 2HG GLU 118 HG1 GLU 118 -28.620 11.418 -10.783 843 H GLN 119 HN GLN 119 -26.202 10.130 -14.178 844 HA GLN 119 HA GLN 119 -27.008 10.515 -16.998 845 1HB GLN 119 HB2 GLN 119 -24.733 9.116 -15.564 846 2HB GLN 119 HB1 GLN 119 -24.895 9.139 -17.320 847 1HG GLN 119 HG2 GLN 119 -24.660 11.508 -17.415 848 2HG GLN 119 HG1 GLN 119 -24.896 11.675 -15.675 849 1HE2 GLN 119 HE21 GLN 119 -22.672 12.884 -16.109 850 2HE2 GLN 119 HE22 GLN 119 -21.279 11.928 -15.940 Start of MODEL 8 1 1H ALA 1 HT1 ALA 1 23.283 25.357 -1.977 2 2H ALA 1 HT2 ALA 1 21.808 26.057 -1.508 3 3H ALA 1 HT3 ALA 1 21.863 24.430 -1.995 4 HA ALA 1 HA ALA 1 21.833 25.118 0.553 5 1HB ALA 1 HB1 ALA 1 21.753 22.863 0.347 6 2HB ALA 1 HB2 ALA 1 23.515 22.885 0.416 7 3HB ALA 1 HB3 ALA 1 22.694 22.906 -1.144 8 H ARG 2 HN ARG 2 23.322 25.509 2.255 9 HA ARG 2 HA ARG 2 26.112 26.215 1.397 10 1HB ARG 2 HB2 ARG 2 25.846 27.943 3.290 11 2HB ARG 2 HB1 ARG 2 24.910 28.232 1.823 12 1HG ARG 2 HG2 ARG 2 22.910 27.792 2.847 13 2HG ARG 2 HG1 ARG 2 23.602 26.550 3.892 14 1HD ARG 2 HD2 ARG 2 24.469 28.168 5.420 15 2HD ARG 2 HD1 ARG 2 24.205 29.496 4.273 16 HE ARG 2 HE ARG 2 21.717 28.922 4.488 17 1HH1 ARG 2 HH11 ARG 2 22.792 30.374 6.903 18 2HH1 ARG 2 HH12 ARG 2 22.192 29.394 8.198 19 1HH2 ARG 2 HH21 ARG 2 21.468 26.683 6.164 20 2HH2 ARG 2 HH22 ARG 2 21.446 27.303 7.780 21 H ILE 3 HN ILE 3 26.095 23.718 2.162 22 HA ILE 3 HA ILE 3 27.221 23.738 4.903 23 HB ILE 3 HB ILE 3 24.725 23.347 5.024 24 1HG1 ILE 3 HG12 ILE 3 25.765 20.738 5.866 25 2HG1 ILE 3 HG11 ILE 3 26.801 22.077 6.360 26 1HG2 ILE 3 HG21 ILE 3 25.210 20.610 3.913 27 2HG2 ILE 3 HG22 ILE 3 24.962 21.940 2.781 28 3HG2 ILE 3 HG23 ILE 3 23.717 21.547 3.967 29 1HD1 ILE 3 HD11 ILE 3 23.831 21.805 6.907 30 2HD1 ILE 3 HD12 ILE 3 24.797 23.226 7.308 31 3HD1 ILE 3 HD13 ILE 3 25.132 21.682 8.093 32 H HIS 4 HN HIS 4 28.842 23.399 2.818 33 HA HIS 4 HA HIS 4 30.325 21.898 1.752 34 1HB HIS 4 HB2 HIS 4 30.324 21.393 4.327 35 2HB HIS 4 HB1 HIS 4 29.476 19.920 3.858 36 HD1 HIS 4 HD1 HIS 4 32.152 21.495 1.716 37 HD2 HIS 4 HD2 HIS 4 31.694 18.207 4.238 38 HE1 HIS 4 HE1 HIS 4 34.209 20.054 1.394 39 H HIS 5 HN HIS 5 29.398 21.308 -0.218 40 HA HIS 5 HA HIS 5 27.129 19.424 -0.313 41 1HB HIS 5 HB2 HIS 5 28.007 21.544 -1.823 42 2HB HIS 5 HB1 HIS 5 28.565 20.174 -2.782 43 HD1 HIS 5 HD1 HIS 5 26.121 22.106 -3.533 44 HD2 HIS 5 HD2 HIS 5 25.817 18.290 -1.882 45 HE1 HIS 5 HE1 HIS 5 23.811 21.251 -4.124 46 H HIS 6 HN HIS 6 28.272 17.542 0.621 47 HA HIS 6 HA HIS 6 29.844 16.087 -1.453 48 1HB HIS 6 HB2 HIS 6 31.165 17.430 0.419 49 2HB HIS 6 HB1 HIS 6 30.746 16.030 1.408 50 HD1 HIS 6 HD1 HIS 6 31.516 15.862 -2.289 51 HD2 HIS 6 HD2 HIS 6 33.269 14.783 1.336 52 HE1 HIS 6 HE1 HIS 6 33.539 14.451 -2.864 53 H HIS 7 HN HIS 7 28.791 14.151 -1.699 54 HA HIS 7 HA HIS 7 26.767 13.145 0.019 55 1HB HIS 7 HB2 HIS 7 28.045 12.502 -2.419 56 2HB HIS 7 HB1 HIS 7 28.177 11.060 -1.412 57 HD1 HIS 7 HD1 HIS 7 25.623 10.893 0.067 58 HD2 HIS 7 HD2 HIS 7 25.727 12.215 -3.886 59 HE1 HIS 7 HE1 HIS 7 23.287 10.570 -0.859 60 H HIS 8 HN HIS 8 26.827 11.651 1.730 61 HA HIS 8 HA HIS 8 29.071 11.540 3.445 62 1HB HIS 8 HB2 HIS 8 26.655 9.754 3.047 63 2HB HIS 8 HB1 HIS 8 27.766 9.565 4.405 64 HD1 HIS 8 HD1 HIS 8 28.289 12.275 5.416 65 HD2 HIS 8 HD2 HIS 8 24.522 11.244 3.958 66 HE1 HIS 8 HE1 HIS 8 26.656 13.939 6.408 67 H HIS 9 HN HIS 9 28.071 9.317 0.853 68 HA HIS 9 HA HIS 9 30.567 7.726 1.323 69 1HB HIS 9 HB2 HIS 9 28.014 6.893 1.251 70 2HB HIS 9 HB1 HIS 9 28.362 6.824 -0.477 71 HD1 HIS 9 HD1 HIS 9 28.014 4.125 0.304 72 HD2 HIS 9 HD2 HIS 9 31.603 6.019 1.258 73 HE1 HIS 9 HE1 HIS 9 29.697 2.287 0.752 74 H ILE 10 HN ILE 10 30.512 6.518 -1.280 75 HA ILE 10 HA ILE 10 31.535 8.801 -2.913 76 HB ILE 10 HB ILE 10 32.959 6.805 -2.243 77 1HG1 ILE 10 HG12 ILE 10 32.464 7.257 -5.205 78 2HG1 ILE 10 HG11 ILE 10 33.548 8.199 -4.181 79 1HG2 ILE 10 HG21 ILE 10 31.187 5.374 -4.246 80 2HG2 ILE 10 HG22 ILE 10 31.104 5.140 -2.500 81 3HG2 ILE 10 HG23 ILE 10 32.564 4.689 -3.382 82 1HD1 ILE 10 HD11 ILE 10 34.757 6.464 -5.507 83 2HD1 ILE 10 HD12 ILE 10 33.814 5.220 -4.686 84 3HD1 ILE 10 HD13 ILE 10 34.932 6.229 -3.768 85 H GLU 11 HN GLU 11 30.962 8.848 -5.211 86 HA GLU 11 HA GLU 11 28.479 7.305 -5.885 87 1HB GLU 11 HB2 GLU 11 28.474 9.900 -5.202 88 2HB GLU 11 HB1 GLU 11 28.890 10.083 -6.907 89 1HG GLU 11 HG2 GLU 11 26.702 8.172 -6.362 90 2HG GLU 11 HG1 GLU 11 26.331 9.854 -5.983 91 H GLY 12 HN GLY 12 28.711 6.206 -7.787 92 1HA GLY 12 HA2 GLY 12 30.542 7.312 -9.860 93 2HA GLY 12 HA1 GLY 12 30.730 5.631 -9.356 94 H ARG 13 HN ARG 13 30.106 4.683 -11.323 95 HA ARG 13 HA ARG 13 27.398 5.374 -12.379 96 1HB ARG 13 HB2 ARG 13 28.248 4.108 -14.370 97 2HB ARG 13 HB1 ARG 13 29.282 5.469 -13.932 98 1HG ARG 13 HG2 ARG 13 30.085 3.126 -12.454 99 2HG ARG 13 HG1 ARG 13 30.039 2.756 -14.179 100 1HD ARG 13 HD2 ARG 13 31.951 3.921 -14.500 101 2HD ARG 13 HD1 ARG 13 31.212 5.369 -13.786 102 HE ARG 13 HE ARG 13 31.899 3.406 -11.762 103 1HH1 ARG 13 HH11 ARG 13 34.481 3.684 -13.196 104 2HH1 ARG 13 HH12 ARG 13 35.196 5.061 -12.425 105 1HH2 ARG 13 HH21 ARG 13 32.217 6.150 -11.020 106 2HH2 ARG 13 HH22 ARG 13 33.912 6.458 -11.192 107 H ALA 14 HN ALA 14 26.398 4.154 -10.537 108 HA ALA 14 HA ALA 14 26.062 1.300 -11.257 109 1HB ALA 14 HB1 ALA 14 26.976 2.275 -8.529 110 2HB ALA 14 HB2 ALA 14 27.988 1.426 -9.698 111 3HB ALA 14 HB3 ALA 14 26.618 0.601 -8.953 112 HA PRO 15 HA PRO 15 22.167 3.320 -9.969 113 1HB PRO 15 HB2 PRO 15 20.605 1.952 -11.751 114 2HB PRO 15 HB1 PRO 15 21.495 3.426 -12.182 115 1HG PRO 15 HG2 PRO 15 22.175 0.581 -12.722 116 2HG PRO 15 HG1 PRO 15 22.387 2.006 -13.750 117 1HD PRO 15 HD2 PRO 15 24.415 0.849 -12.336 118 2HD PRO 15 HD1 PRO 15 24.381 2.570 -12.780 119 H THR 16 HN THR 16 22.676 1.916 -7.994 120 HA THR 16 HA THR 16 20.824 -0.435 -7.940 121 HB THR 16 HB THR 16 22.815 -1.274 -6.328 122 HG1 THR 16 HG1 THR 16 24.327 -0.097 -8.341 123 1HG2 THR 16 HG21 THR 16 23.662 -1.763 -9.044 124 2HG2 THR 16 HG22 THR 16 21.903 -1.829 -8.940 125 3HG2 THR 16 HG23 THR 16 22.886 -2.869 -7.911 126 H GLU 17 HN GLU 17 21.190 2.527 -6.806 127 HA GLU 17 HA GLU 17 21.436 2.652 -4.066 128 1HB GLU 17 HB2 GLU 17 19.700 4.463 -4.242 129 2HB GLU 17 HB1 GLU 17 20.939 4.557 -5.494 130 1HG GLU 17 HG2 GLU 17 19.159 2.946 -6.742 131 2HG GLU 17 HG1 GLU 17 18.055 3.881 -5.733 132 H GLN 18 HN GLN 18 20.569 1.339 -2.506 133 HA GLN 18 HA GLN 18 18.397 -0.435 -2.836 134 1HB GLN 18 HB2 GLN 18 20.262 0.414 -0.842 135 2HB GLN 18 HB1 GLN 18 18.659 0.375 -0.106 136 1HG GLN 18 HG2 GLN 18 18.383 -1.936 -1.173 137 2HG GLN 18 HG1 GLN 18 20.115 -1.877 -1.502 138 1HE2 GLN 18 HE21 GLN 18 19.654 -3.895 0.136 139 2HE2 GLN 18 HE22 GLN 18 19.933 -3.523 1.769 140 H SER 19 HN SER 19 16.709 0.934 -3.841 141 HA SER 19 HA SER 19 15.518 3.075 -2.189 142 1HB SER 19 HB2 SER 19 14.778 3.774 -4.220 143 2HB SER 19 HB1 SER 19 15.812 2.520 -4.898 144 HG SER 19 HG SER 19 14.017 1.094 -4.729 145 HA PRO 20 HA PRO 20 12.737 0.100 -0.387 146 1HB PRO 20 HB2 PRO 20 11.291 1.897 1.090 147 2HB PRO 20 HB1 PRO 20 12.898 1.318 1.570 148 1HG PRO 20 HG2 PRO 20 12.116 3.891 0.309 149 2HG PRO 20 HG1 PRO 20 13.365 3.555 1.515 150 1HD PRO 20 HD2 PRO 20 13.865 3.952 -1.154 151 2HD PRO 20 HD1 PRO 20 14.926 3.038 -0.061 152 H GLY 21 HN GLY 21 10.741 3.010 -0.550 153 1HA GLY 21 HA2 GLY 21 9.205 3.489 -2.427 154 2HA GLY 21 HA1 GLY 21 9.171 1.757 -2.761 155 H VAL 22 HN VAL 22 7.765 4.308 -0.915 156 HA VAL 22 HA VAL 22 5.945 2.316 0.401 157 HB VAL 22 HB VAL 22 6.910 4.991 1.464 158 1HG1 VAL 22 HG11 VAL 22 4.656 3.895 2.203 159 2HG1 VAL 22 HG12 VAL 22 5.771 4.459 3.447 160 3HG1 VAL 22 HG13 VAL 22 5.687 2.743 3.051 161 1HG2 VAL 22 HG21 VAL 22 7.912 2.170 1.825 162 2HG2 VAL 22 HG22 VAL 22 8.134 3.370 3.098 163 3HG2 VAL 22 HG23 VAL 22 8.838 3.636 1.503 164 H GLN 23 HN GLN 23 4.584 2.720 -1.569 165 HA GLN 23 HA GLN 23 3.574 5.337 -2.169 166 1HB GLN 23 HB2 GLN 23 2.606 2.540 -2.807 167 2HB GLN 23 HB1 GLN 23 2.017 4.004 -3.594 168 1HG GLN 23 HG2 GLN 23 4.063 4.412 -4.662 169 2HG GLN 23 HG1 GLN 23 4.967 3.418 -3.519 170 1HE2 GLN 23 HE21 GLN 23 2.417 3.103 -6.050 171 2HE2 GLN 23 HE22 GLN 23 2.895 1.552 -6.546 172 H ASP 24 HN ASP 24 3.191 5.251 0.524 173 HA ASP 24 HA ASP 24 0.688 4.145 1.407 174 1HB ASP 24 HB2 ASP 24 1.082 5.698 3.316 175 2HB ASP 24 HB1 ASP 24 2.545 4.812 2.883 176 H CYS 25 HN CYS 25 -0.886 4.752 -0.182 177 HA CYS 25 HA CYS 25 -2.060 7.424 0.231 178 1HB CYS 25 HB2 CYS 25 -0.396 6.682 -2.090 179 2HB CYS 25 HB1 CYS 25 -1.932 7.447 -2.493 180 H TYR 26 HN TYR 26 -4.208 7.577 -0.725 181 HA TYR 26 HA TYR 26 -5.288 5.267 -2.190 182 1HB TYR 26 HB2 TYR 26 -6.718 4.467 -0.442 183 2HB TYR 26 HB1 TYR 26 -5.111 4.613 0.261 184 HD1 TYR 26 HD1 TYR 26 -8.321 6.499 -0.163 185 HD2 TYR 26 HD2 TYR 26 -4.782 5.896 2.184 186 HE1 TYR 26 HE1 TYR 26 -9.212 8.024 1.577 187 HE2 TYR 26 HE2 TYR 26 -5.666 7.422 3.925 188 HH TYR 26 HH TYR 26 -8.307 8.139 4.563 189 H HIS 27 HN HIS 27 -7.818 5.573 -2.336 190 HA HIS 27 HA HIS 27 -8.428 8.509 -2.457 191 1HB HIS 27 HB2 HIS 27 -7.907 7.535 -4.669 192 2HB HIS 27 HB1 HIS 27 -9.137 6.296 -4.415 193 HD1 HIS 27 HD1 HIS 27 -10.318 7.342 -6.597 194 HD2 HIS 27 HD2 HIS 27 -10.238 9.811 -3.239 195 HE1 HIS 27 HE1 HIS 27 -12.013 9.176 -7.017 196 H GLY 28 HN GLY 28 -10.239 8.997 -1.270 197 1HA GLY 28 HA2 GLY 28 -12.241 8.706 -0.075 198 2HA GLY 28 HA1 GLY 28 -12.669 7.522 -1.313 199 H ASP 29 HN ASP 29 -11.993 5.306 -0.995 200 HA ASP 29 HA ASP 29 -11.312 4.647 1.839 201 1HB ASP 29 HB2 ASP 29 -13.395 3.690 -0.057 202 2HB ASP 29 HB1 ASP 29 -12.696 2.500 1.043 203 H GLY 30 HN GLY 30 -9.737 4.923 -0.784 204 1HA GLY 30 HA2 GLY 30 -7.933 3.800 -1.772 205 2HA GLY 30 HA1 GLY 30 -7.906 2.779 -0.334 206 H GLN 31 HN GLN 31 -11.004 2.662 -1.590 207 HA GLN 31 HA GLN 31 -10.838 -0.085 -2.352 208 1HB GLN 31 HB2 GLN 31 -12.914 0.960 -1.688 209 2HB GLN 31 HB1 GLN 31 -12.791 2.145 -2.988 210 1HG GLN 31 HG2 GLN 31 -14.350 0.488 -3.740 211 2HG GLN 31 HG1 GLN 31 -12.849 0.189 -4.615 212 1HE2 GLN 31 HE21 GLN 31 -15.224 -1.331 -2.735 213 2HE2 GLN 31 HE22 GLN 31 -14.351 -2.723 -2.308 214 H SER 32 HN SER 32 -10.039 2.806 -4.078 215 HA SER 32 HA SER 32 -10.034 1.361 -6.693 216 1HB SER 32 HB2 SER 32 -10.925 3.836 -5.960 217 2HB SER 32 HB1 SER 32 -9.291 4.225 -6.489 218 HG SER 32 HG SER 32 -9.763 3.164 -8.453 219 H TYR 33 HN TYR 33 -8.045 1.099 -4.372 220 HA TYR 33 HA TYR 33 -5.568 2.338 -5.286 221 1HB TYR 33 HB2 TYR 33 -6.013 1.822 -2.941 222 2HB TYR 33 HB1 TYR 33 -6.229 0.116 -3.328 223 HD1 TYR 33 HD1 TYR 33 -4.446 -1.093 -2.427 224 HD2 TYR 33 HD2 TYR 33 -3.674 2.637 -4.413 225 HE1 TYR 33 HE1 TYR 33 -2.009 -1.459 -2.167 226 HE2 TYR 33 HE2 TYR 33 -1.235 2.271 -4.153 227 HH TYR 33 HH TYR 33 0.344 0.981 -3.267 228 H ARG 34 HN ARG 34 -3.841 1.299 -6.371 229 HA ARG 34 HA ARG 34 -4.357 -0.523 -8.434 230 1HB ARG 34 HB2 ARG 34 -2.350 0.874 -8.223 231 2HB ARG 34 HB1 ARG 34 -1.831 -0.054 -6.816 232 1HG ARG 34 HG2 ARG 34 -1.106 -1.814 -8.076 233 2HG ARG 34 HG1 ARG 34 -2.418 -1.647 -9.244 234 1HD ARG 34 HD2 ARG 34 -0.754 0.685 -9.434 235 2HD ARG 34 HD1 ARG 34 0.274 -0.759 -9.537 236 HE ARG 34 HE ARG 34 -1.548 -1.579 -11.219 237 1HH1 ARG 34 HH11 ARG 34 -2.430 1.489 -10.690 238 2HH1 ARG 34 HH12 ARG 34 -2.070 2.113 -12.266 239 1HH2 ARG 34 HH21 ARG 34 -0.293 -0.696 -13.260 240 2HH2 ARG 34 HH22 ARG 34 -0.856 0.875 -13.720 241 H GLY 35 HN GLY 35 -3.653 -1.177 -5.041 242 1HA GLY 35 HA2 GLY 35 -4.088 -3.193 -3.865 243 2HA GLY 35 HA1 GLY 35 -4.491 -3.965 -5.398 244 H SER 36 HN SER 36 -1.593 -2.470 -3.908 245 HA SER 36 HA SER 36 -0.082 -4.973 -4.353 246 1HB SER 36 HB2 SER 36 0.267 -4.063 -6.485 247 2HB SER 36 HB1 SER 36 0.236 -2.406 -5.888 248 HG SER 36 HG SER 36 2.259 -4.348 -5.412 249 H PHE 37 HN PHE 37 -0.895 -2.951 -2.154 250 HA PHE 37 HA PHE 37 1.737 -1.945 -1.259 251 1HB PHE 37 HB2 PHE 37 -0.591 -0.791 -1.150 252 2HB PHE 37 HB1 PHE 37 -0.872 -1.830 0.247 253 HD1 PHE 37 HD1 PHE 37 1.203 0.909 -1.114 254 HD2 PHE 37 HD2 PHE 37 0.342 -1.530 2.311 255 HE1 PHE 37 HE1 PHE 37 2.531 2.446 0.313 256 HE2 PHE 37 HE2 PHE 37 1.671 0.003 3.740 257 HZ PHE 37 HZ PHE 37 2.764 1.991 2.741 258 H SER 38 HN SER 38 2.586 -4.217 -1.037 259 HA SER 38 HA SER 38 1.585 -6.154 0.782 260 1HB SER 38 HB2 SER 38 3.736 -7.134 0.459 261 2HB SER 38 HB1 SER 38 3.389 -6.256 -1.029 262 HG SER 38 HG SER 38 4.514 -4.455 0.199 263 H THR 39 HN THR 39 2.597 -3.053 1.666 264 HA THR 39 HA THR 39 3.855 -3.965 4.207 265 HB THR 39 HB THR 39 3.490 -1.230 2.935 266 HG1 THR 39 HG1 THR 39 5.741 -2.939 3.157 267 1HG2 THR 39 HG21 THR 39 3.819 -1.619 5.559 268 2HG2 THR 39 HG22 THR 39 4.623 -0.299 4.710 269 3HG2 THR 39 HG23 THR 39 5.503 -1.787 5.062 270 H THR 40 HN THR 40 2.536 -4.140 5.980 271 HA THR 40 HA THR 40 -0.213 -3.128 5.858 272 HB THR 40 HB THR 40 -0.324 -4.315 8.072 273 HG1 THR 40 HG1 THR 40 1.463 -5.098 8.946 274 1HG2 THR 40 HG21 THR 40 -0.862 -5.733 6.300 275 2HG2 THR 40 HG22 THR 40 0.494 -6.586 7.038 276 3HG2 THR 40 HG23 THR 40 0.747 -5.616 5.587 277 H VAL 41 HN VAL 41 -1.097 -1.941 7.825 278 HA VAL 41 HA VAL 41 0.028 0.602 8.177 279 HB VAL 41 HB VAL 41 -1.887 -1.165 9.674 280 1HG1 VAL 41 HG11 VAL 41 -0.663 0.084 11.442 281 2HG1 VAL 41 HG12 VAL 41 -2.338 0.615 11.302 282 3HG1 VAL 41 HG13 VAL 41 -1.043 1.595 10.616 283 1HG2 VAL 41 HG21 VAL 41 -2.047 1.522 8.277 284 2HG2 VAL 41 HG22 VAL 41 -3.404 0.760 9.108 285 3HG2 VAL 41 HG23 VAL 41 -2.686 -0.016 7.698 286 H THR 42 HN THR 42 0.594 -2.361 10.070 287 HA THR 42 HA THR 42 2.227 -1.044 12.092 288 HB THR 42 HB THR 42 2.628 -3.913 11.699 289 HG1 THR 42 HG1 THR 42 0.504 -4.507 11.863 290 1HG2 THR 42 HG21 THR 42 2.318 -2.029 13.784 291 2HG2 THR 42 HG22 THR 42 2.661 -3.752 13.939 292 3HG2 THR 42 HG23 THR 42 0.993 -3.181 13.953 293 H GLY 43 HN GLY 43 2.795 -1.873 8.861 294 1HA GLY 43 HA2 GLY 43 4.829 -1.505 7.671 295 2HA GLY 43 HA1 GLY 43 5.688 -1.436 9.210 296 H ARG 44 HN ARG 44 3.680 -4.099 9.276 297 HA ARG 44 HA ARG 44 5.898 -5.965 9.130 298 1HB ARG 44 HB2 ARG 44 3.572 -5.930 10.415 299 2HB ARG 44 HB1 ARG 44 3.016 -6.774 8.969 300 1HG ARG 44 HG2 ARG 44 3.808 -8.661 9.929 301 2HG ARG 44 HG1 ARG 44 5.418 -8.036 9.571 302 1HD ARG 44 HD2 ARG 44 5.299 -8.592 11.953 303 2HD ARG 44 HD1 ARG 44 5.364 -6.826 11.788 304 HE ARG 44 HE ARG 44 2.654 -7.981 11.798 305 1HH1 ARG 44 HH11 ARG 44 4.924 -7.873 14.191 306 2HH1 ARG 44 HH12 ARG 44 4.090 -6.754 15.216 307 1HH2 ARG 44 HH21 ARG 44 1.700 -5.948 12.837 308 2HH2 ARG 44 HH22 ARG 44 2.266 -5.663 14.449 309 H THR 45 HN THR 45 5.002 -8.136 7.754 310 HA THR 45 HA THR 45 5.015 -7.179 4.922 311 HB THR 45 HB THR 45 5.560 -9.983 5.877 312 HG1 THR 45 HG1 THR 45 7.818 -8.601 5.676 313 1HG2 THR 45 HG21 THR 45 5.759 -10.025 3.596 314 2HG2 THR 45 HG22 THR 45 7.377 -9.428 3.963 315 3HG2 THR 45 HG23 THR 45 6.107 -8.299 3.491 316 H CYS 46 HN CYS 46 3.160 -7.477 3.743 317 HA CYS 46 HA CYS 46 0.794 -8.617 4.844 318 1HB CYS 46 HB2 CYS 46 1.709 -7.228 2.500 319 2HB CYS 46 HB1 CYS 46 0.668 -8.566 2.011 320 H GLN 47 HN GLN 47 -0.077 -10.693 4.625 321 HA GLN 47 HA GLN 47 1.728 -12.782 3.560 322 1HB GLN 47 HB2 GLN 47 0.767 -13.239 5.686 323 2HB GLN 47 HB1 GLN 47 -0.833 -12.712 5.168 324 1HG GLN 47 HG2 GLN 47 -0.631 -15.198 5.291 325 2HG GLN 47 HG1 GLN 47 -1.009 -14.631 3.664 326 1HE2 GLN 47 HE21 GLN 47 1.778 -15.620 5.713 327 2HE2 GLN 47 HE22 GLN 47 2.726 -16.174 4.419 328 H SER 48 HN SER 48 1.311 -13.833 1.595 329 HA SER 48 HA SER 48 -0.291 -12.870 -0.447 330 1HB SER 48 HB2 SER 48 1.299 -15.077 0.041 331 2HB SER 48 HB1 SER 48 -0.279 -15.804 -0.253 332 HG SER 48 HG SER 48 0.792 -13.789 -1.924 333 H TRP 49 HN TRP 49 -2.489 -13.185 -1.099 334 HA TRP 49 HA TRP 49 -4.437 -13.570 0.991 335 1HB TRP 49 HB2 TRP 49 -4.586 -13.585 -2.040 336 2HB TRP 49 HB1 TRP 49 -6.001 -13.554 -0.989 337 HD1 TRP 49 HD1 TRP 49 -3.435 -11.344 -2.533 338 HE1 TRP 49 HE1 TRP 49 -3.749 -8.937 -1.713 339 HE3 TRP 49 HE3 TRP 49 -6.726 -12.104 1.235 340 HZ2 TRP 49 HZ2 TRP 49 -5.193 -7.503 0.268 341 HZ3 TRP 49 HZ3 TRP 49 -7.578 -10.213 2.595 342 HH2 TRP 49 HH2 TRP 49 -6.810 -7.902 2.113 343 H SER 50 HN SER 50 -3.146 -15.625 -1.579 344 HA SER 50 HA SER 50 -4.874 -17.902 -0.979 345 1HB SER 50 HB2 SER 50 -3.868 -17.251 -3.196 346 2HB SER 50 HB1 SER 50 -2.292 -17.701 -2.553 347 HG SER 50 HG SER 50 -4.525 -19.447 -2.539 348 H SER 51 HN SER 51 -2.781 -16.682 1.075 349 HA SER 51 HA SER 51 -0.826 -18.748 1.538 350 1HB SER 51 HB2 SER 51 -0.319 -17.434 3.444 351 2HB SER 51 HB1 SER 51 -0.960 -16.265 2.292 352 HG SER 51 HG SER 51 -2.346 -17.548 4.416 353 H MET 52 HN MET 52 -1.331 -20.786 2.226 354 HA MET 52 HA MET 52 -3.757 -21.127 3.953 355 1HB MET 52 HB2 MET 52 -2.378 -23.208 2.237 356 2HB MET 52 HB1 MET 52 -4.005 -23.268 2.907 357 1HG MET 52 HG2 MET 52 -3.507 -20.923 1.197 358 2HG MET 52 HG1 MET 52 -3.427 -22.467 0.355 359 1HE MET 52 HE1 MET 52 -6.838 -20.665 2.731 360 2HE MET 52 HE2 MET 52 -5.212 -20.045 2.470 361 3HE MET 52 HE3 MET 52 -5.457 -21.425 3.520 362 H THR 53 HN THR 53 -0.767 -20.587 4.599 363 HA THR 53 HA THR 53 -0.139 -23.063 6.125 364 HB THR 53 HB THR 53 1.903 -21.188 6.463 365 HG1 THR 53 HG1 THR 53 1.299 -21.147 3.742 366 1HG2 THR 53 HG21 THR 53 2.909 -22.581 4.492 367 2HG2 THR 53 HG22 THR 53 1.410 -23.502 4.611 368 3HG2 THR 53 HG23 THR 53 2.495 -23.402 5.997 369 HA PRO 54 HA PRO 54 -0.054 -19.918 9.661 370 1HB PRO 54 HB2 PRO 54 -0.392 -17.251 9.148 371 2HB PRO 54 HB1 PRO 54 1.190 -18.052 9.102 372 1HG PRO 54 HG2 PRO 54 -0.590 -17.252 6.863 373 2HG PRO 54 HG1 PRO 54 1.177 -17.234 6.967 374 1HD PRO 54 HD2 PRO 54 -0.276 -19.159 5.650 375 2HD PRO 54 HD1 PRO 54 1.363 -19.401 6.292 376 H HIS 55 HN HIS 55 -2.004 -17.388 8.253 377 HA HIS 55 HA HIS 55 -4.393 -18.476 9.639 378 1HB HIS 55 HB2 HIS 55 -4.449 -15.931 8.071 379 2HB HIS 55 HB1 HIS 55 -5.104 -16.271 9.672 380 HD1 HIS 55 HD1 HIS 55 -1.940 -15.297 7.907 381 HD2 HIS 55 HD2 HIS 55 -3.267 -15.875 11.815 382 HE1 HIS 55 HE1 HIS 55 -0.113 -14.428 9.413 383 H TRP 56 HN TRP 56 -5.323 -20.073 8.355 384 HA TRP 56 HA TRP 56 -5.413 -19.882 5.447 385 1HB TRP 56 HB2 TRP 56 -5.264 -21.967 6.882 386 2HB TRP 56 HB1 TRP 56 -6.949 -21.696 7.327 387 HD1 TRP 56 HD1 TRP 56 -8.331 -20.990 4.751 388 HE1 TRP 56 HE1 TRP 56 -8.478 -22.558 2.753 389 HE3 TRP 56 HE3 TRP 56 -4.367 -23.972 5.759 390 HZ2 TRP 56 HZ2 TRP 56 -7.084 -24.803 1.689 391 HZ3 TRP 56 HZ3 TRP 56 -3.777 -25.797 4.217 392 HH2 TRP 56 HH2 TRP 56 -5.123 -26.241 2.189 393 H HIS 57 HN HIS 57 -7.070 -19.088 4.198 394 HA HIS 57 HA HIS 57 -9.673 -18.474 5.528 395 1HB HIS 57 HB2 HIS 57 -9.593 -16.247 4.817 396 2HB HIS 57 HB1 HIS 57 -7.895 -16.549 5.171 397 HD1 HIS 57 HD1 HIS 57 -7.339 -18.263 2.552 398 HD2 HIS 57 HD2 HIS 57 -9.154 -14.512 2.640 399 HE1 HIS 57 HE1 HIS 57 -7.022 -17.260 0.249 400 H GLN 58 HN GLN 58 -11.279 -17.767 3.609 401 HA GLN 58 HA GLN 58 -10.837 -19.659 1.322 402 1HB GLN 58 HB2 GLN 58 -12.434 -20.314 3.249 403 2HB GLN 58 HB1 GLN 58 -13.502 -19.063 2.613 404 1HG GLN 58 HG2 GLN 58 -13.680 -20.166 0.492 405 2HG GLN 58 HG1 GLN 58 -12.371 -21.279 0.891 406 1HE2 GLN 58 HE21 GLN 58 -15.788 -20.566 1.457 407 2HE2 GLN 58 HE22 GLN 58 -16.144 -22.018 2.260 408 H ARG 59 HN ARG 59 -10.496 -16.653 1.592 409 HA ARG 59 HA ARG 59 -12.463 -15.851 -0.530 410 1HB ARG 59 HB2 ARG 59 -11.427 -14.514 1.950 411 2HB ARG 59 HB1 ARG 59 -11.893 -13.509 0.578 412 1HG ARG 59 HG2 ARG 59 -14.005 -15.247 0.707 413 2HG ARG 59 HG1 ARG 59 -13.585 -15.084 2.412 414 1HD ARG 59 HD2 ARG 59 -13.548 -12.510 1.003 415 2HD ARG 59 HD1 ARG 59 -15.145 -13.287 0.989 416 HE ARG 59 HE ARG 59 -14.180 -13.636 3.594 417 1HH1 ARG 59 HH21 ARG 59 -13.932 -10.826 1.715 418 2HH1 ARG 59 HH22 ARG 59 -14.737 -9.799 2.854 419 1HH2 ARG 59 HH11 ARG 59 -15.624 -12.397 4.972 420 2HH2 ARG 59 HH12 ARG 59 -15.693 -10.689 4.698 421 H THR 60 HN THR 60 -9.727 -17.021 -0.793 422 HA THR 60 HA THR 60 -7.644 -15.233 -1.331 423 HB THR 60 HB THR 60 -7.453 -17.654 -1.538 424 HG1 THR 60 HG1 THR 60 -6.088 -16.377 -2.860 425 1HG2 THR 60 HG21 THR 60 -9.335 -17.341 -3.881 426 2HG2 THR 60 HG22 THR 60 -9.726 -18.101 -2.339 427 3HG2 THR 60 HG23 THR 60 -8.539 -18.843 -3.413 428 H THR 61 HN THR 61 -6.903 -14.908 -3.756 429 HA THR 61 HA THR 61 -8.820 -13.092 -4.996 430 HB THR 61 HB THR 61 -6.768 -13.379 -6.762 431 HG1 THR 61 HG1 THR 61 -5.417 -14.715 -5.867 432 1HG2 THR 61 HG21 THR 61 -6.708 -11.886 -4.130 433 2HG2 THR 61 HG22 THR 61 -7.429 -11.311 -5.633 434 3HG2 THR 61 HG23 THR 61 -5.683 -11.533 -5.521 435 H GLU 62 HN GLU 62 -8.206 -16.457 -5.080 436 HA GLU 62 HA GLU 62 -8.772 -17.045 -7.809 437 1HB GLU 62 HB2 GLU 62 -7.899 -18.470 -5.757 438 2HB GLU 62 HB1 GLU 62 -9.616 -18.791 -5.511 439 1HG GLU 62 HG2 GLU 62 -9.843 -19.830 -7.628 440 2HG GLU 62 HG1 GLU 62 -8.315 -19.168 -8.208 441 H TYR 63 HN TYR 63 -10.676 -16.133 -5.071 442 HA TYR 63 HA TYR 63 -13.221 -16.880 -6.316 443 1HB TYR 63 HB2 TYR 63 -12.185 -15.897 -3.732 444 2HB TYR 63 HB1 TYR 63 -13.778 -15.270 -4.158 445 HD1 TYR 63 HD1 TYR 63 -15.389 -17.148 -5.249 446 HD2 TYR 63 HD2 TYR 63 -12.133 -17.902 -2.551 447 HE1 TYR 63 HE1 TYR 63 -16.416 -19.315 -4.616 448 HE2 TYR 63 HE2 TYR 63 -13.160 -20.069 -1.917 449 HH TYR 63 HH TYR 63 -16.375 -20.958 -2.974 450 H TYR 64 HN TYR 64 -10.982 -14.352 -6.565 451 HA TYR 64 HA TYR 64 -13.086 -12.550 -7.728 452 1HB TYR 64 HB2 TYR 64 -10.774 -11.956 -5.865 453 2HB TYR 64 HB1 TYR 64 -11.607 -10.693 -6.771 454 HD1 TYR 64 HD1 TYR 64 -11.813 -13.048 -3.983 455 HD2 TYR 64 HD2 TYR 64 -14.015 -10.231 -6.363 456 HE1 TYR 64 HE1 TYR 64 -13.599 -12.992 -2.263 457 HE2 TYR 64 HE2 TYR 64 -15.802 -10.175 -4.644 458 HH TYR 64 HH TYR 64 -16.394 -12.294 -2.537 459 HA PRO 65 HA PRO 65 -10.002 -13.218 -10.974 460 1HB PRO 65 HB2 PRO 65 -11.668 -12.489 -13.020 461 2HB PRO 65 HB1 PRO 65 -11.681 -14.108 -12.293 462 1HG PRO 65 HG2 PRO 65 -13.521 -11.815 -11.838 463 2HG PRO 65 HG1 PRO 65 -13.876 -13.547 -11.935 464 1HD PRO 65 HD2 PRO 65 -13.705 -12.169 -9.584 465 2HD PRO 65 HD1 PRO 65 -13.367 -13.907 -9.734 466 H ASN 66 HN ASN 66 -11.761 -10.429 -9.955 467 HA ASN 66 HA ASN 66 -9.829 -8.677 -11.440 468 1HB ASN 66 HB2 ASN 66 -12.791 -8.689 -11.204 469 2HB ASN 66 HB1 ASN 66 -12.018 -7.105 -11.113 470 1HD2 ASN 66 HD21 ASN 66 -13.066 -9.546 -13.287 471 2HD2 ASN 66 HD22 ASN 66 -12.304 -8.952 -14.683 472 H GLY 67 HN GLY 67 -9.436 -9.695 -8.772 473 1HA GLY 67 HA2 GLY 67 -10.303 -7.723 -6.822 474 2HA GLY 67 HA1 GLY 67 -9.086 -8.973 -6.556 475 H GLY 68 HN GLY 68 -7.199 -8.397 -8.458 476 1HA GLY 68 HA2 GLY 68 -5.646 -6.725 -9.191 477 2HA GLY 68 HA1 GLY 68 -6.509 -5.532 -8.218 478 H LEU 69 HN LEU 69 -6.281 -8.100 -6.231 479 HA LEU 69 HA LEU 69 -3.755 -7.079 -5.008 480 1HB LEU 69 HB2 LEU 69 -4.820 -8.093 -2.938 481 2HB LEU 69 HB1 LEU 69 -5.721 -6.763 -3.654 482 HG LEU 69 HG LEU 69 -6.428 -9.371 -4.782 483 1HD1 LEU 69 HD11 LEU 69 -7.815 -9.908 -2.692 484 2HD1 LEU 69 HD12 LEU 69 -6.758 -8.788 -1.831 485 3HD1 LEU 69 HD13 LEU 69 -6.086 -10.235 -2.581 486 1HD2 LEU 69 HD21 LEU 69 -8.072 -7.223 -3.406 487 2HD2 LEU 69 HD22 LEU 69 -8.662 -8.455 -4.522 488 3HD2 LEU 69 HD23 LEU 69 -7.608 -7.168 -5.107 489 H THR 70 HN THR 70 -2.710 -8.581 -6.640 490 HA THR 70 HA THR 70 -3.004 -11.467 -6.306 491 HB THR 70 HB THR 70 -1.108 -9.609 -7.754 492 HG1 THR 70 HG1 THR 70 -3.412 -10.995 -8.298 493 1HG2 THR 70 HG21 THR 70 -1.100 -12.638 -7.712 494 2HG2 THR 70 HG22 THR 70 0.179 -11.584 -7.110 495 3HG2 THR 70 HG23 THR 70 -0.176 -11.642 -8.836 496 H ARG 71 HN ARG 71 -1.322 -12.879 -5.443 497 HA ARG 71 HA ARG 71 0.242 -13.498 -3.779 498 1HB ARG 71 HB2 ARG 71 1.349 -11.729 -5.522 499 2HB ARG 71 HB1 ARG 71 1.566 -10.847 -4.010 500 1HG ARG 71 HG2 ARG 71 2.569 -12.957 -3.035 501 2HG ARG 71 HG1 ARG 71 2.542 -13.639 -4.661 502 1HD ARG 71 HD2 ARG 71 4.203 -12.207 -5.439 503 2HD ARG 71 HD1 ARG 71 3.805 -10.943 -4.258 504 HE ARG 71 HE ARG 71 4.667 -12.700 -2.526 505 1HH1 ARG 71 HH11 ARG 71 5.461 -14.341 -5.096 506 2HH1 ARG 71 HH12 ARG 71 7.174 -14.086 -5.072 507 1HH2 ARG 71 HH21 ARG 71 7.025 -11.496 -2.774 508 2HH2 ARG 71 HH22 ARG 71 8.059 -12.475 -3.759 509 H ASN 72 HN ASN 72 1.587 -11.230 -2.190 510 HA ASN 72 HA ASN 72 -0.439 -11.107 -0.052 511 1HB ASN 72 HB2 ASN 72 1.469 -10.054 1.154 512 2HB ASN 72 HB1 ASN 72 1.934 -11.576 0.391 513 1HD2 ASN 72 HD21 ASN 72 1.857 -8.042 -0.357 514 2HD2 ASN 72 HD22 ASN 72 3.280 -8.064 -1.280 515 H TYR 73 HN TYR 73 -0.340 -9.435 -2.780 516 HA TYR 73 HA TYR 73 -0.005 -6.700 -2.302 517 1HB TYR 73 HB2 TYR 73 -1.886 -8.383 -3.948 518 2HB TYR 73 HB1 TYR 73 -2.120 -6.638 -3.917 519 HD1 TYR 73 HD1 TYR 73 -1.610 -6.919 -6.444 520 HD2 TYR 73 HD2 TYR 73 1.293 -7.573 -3.344 521 HE1 TYR 73 HE1 TYR 73 0.218 -6.641 -8.096 522 HE2 TYR 73 HE2 TYR 73 3.120 -7.294 -4.997 523 HH TYR 73 HH TYR 73 2.415 -6.806 -8.450 524 H CYS 74 HN CYS 74 -1.139 -5.171 -1.196 525 HA CYS 74 HA CYS 74 -3.297 -6.048 0.637 526 1HB CYS 74 HB2 CYS 74 -1.311 -4.772 1.403 527 2HB CYS 74 HB1 CYS 74 -1.754 -3.453 0.322 528 H ARG 75 HN ARG 75 -5.416 -5.349 0.408 529 HA ARG 75 HA ARG 75 -6.051 -3.143 -1.466 530 1HB ARG 75 HB2 ARG 75 -6.165 -5.987 -2.058 531 2HB ARG 75 HB1 ARG 75 -7.754 -5.243 -2.228 532 1HG ARG 75 HG2 ARG 75 -5.967 -3.412 -3.389 533 2HG ARG 75 HG1 ARG 75 -5.429 -4.992 -3.954 534 1HD ARG 75 HD2 ARG 75 -7.938 -5.440 -4.467 535 2HD ARG 75 HD1 ARG 75 -8.122 -3.679 -4.339 536 HE ARG 75 HE ARG 75 -5.997 -4.815 -6.104 537 1HH1 ARG 75 HH11 ARG 75 -9.156 -3.537 -5.892 538 2HH1 ARG 75 HH12 ARG 75 -9.011 -2.549 -7.307 539 1HH2 ARG 75 HH21 ARG 75 -5.660 -3.280 -7.803 540 2HH2 ARG 75 HH22 ARG 75 -7.034 -2.403 -8.387 541 H ASN 76 HN ASN 76 -8.719 -3.315 -1.624 542 HA ASN 76 HA ASN 76 -9.702 -3.697 1.184 543 1HB ASN 76 HB2 ASN 76 -9.164 -1.309 0.077 544 2HB ASN 76 HB1 ASN 76 -10.794 -1.534 -0.557 545 1HD2 ASN 76 HD21 ASN 76 -10.924 0.489 1.076 546 2HD2 ASN 76 HD22 ASN 76 -11.411 0.089 2.652 547 HA PRO 77 HA PRO 77 -12.400 -6.042 -1.661 548 1HB PRO 77 HB2 PRO 77 -12.893 -8.065 0.110 549 2HB PRO 77 HB1 PRO 77 -11.452 -8.017 -0.925 550 1HG PRO 77 HG2 PRO 77 -11.738 -7.335 1.953 551 2HG PRO 77 HG1 PRO 77 -10.401 -8.126 1.107 552 1HD PRO 77 HD2 PRO 77 -10.401 -5.489 1.863 553 2HD PRO 77 HD1 PRO 77 -9.433 -6.145 0.524 554 H ASP 78 HN ASP 78 -12.881 -4.165 1.030 555 HA ASP 78 HA ASP 78 -15.832 -4.676 0.965 556 1HB ASP 78 HB2 ASP 78 -14.837 -5.739 2.937 557 2HB ASP 78 HB1 ASP 78 -14.040 -4.226 3.372 558 H ALA 79 HN ALA 79 -13.595 -2.511 0.139 559 HA ALA 79 HA ALA 79 -13.601 -0.161 -0.121 560 1HB ALA 79 HB1 ALA 79 -15.777 0.732 -0.507 561 2HB ALA 79 HB2 ALA 79 -16.523 -0.404 0.617 562 3HB ALA 79 HB3 ALA 79 -15.905 -0.974 -0.933 563 H GLU 80 HN GLU 80 -13.035 -1.259 2.562 564 HA GLU 80 HA GLU 80 -14.391 0.298 4.590 565 1HB GLU 80 HB2 GLU 80 -12.488 -1.778 4.367 566 2HB GLU 80 HB1 GLU 80 -11.676 -0.480 5.242 567 1HG GLU 80 HG2 GLU 80 -13.031 -0.685 7.065 568 2HG GLU 80 HG1 GLU 80 -14.462 -1.019 6.088 569 H ILE 81 HN ILE 81 -12.839 1.775 6.033 570 HA ILE 81 HA ILE 81 -12.343 4.224 4.850 571 HB ILE 81 HB ILE 81 -12.199 3.605 7.260 572 1HG1 ILE 81 HG12 ILE 81 -11.197 5.747 6.327 573 2HG1 ILE 81 HG11 ILE 81 -10.514 5.208 7.860 574 1HG2 ILE 81 HG21 ILE 81 -9.449 2.570 6.552 575 2HG2 ILE 81 HG22 ILE 81 -10.844 1.545 6.890 576 3HG2 ILE 81 HG23 ILE 81 -10.189 2.588 8.153 577 1HD1 ILE 81 HD11 ILE 81 -8.491 5.339 6.862 578 2HD1 ILE 81 HD12 ILE 81 -9.213 5.514 5.264 579 3HD1 ILE 81 HD13 ILE 81 -8.953 3.909 5.942 580 H SER 82 HN SER 82 -10.117 1.475 5.040 581 HA SER 82 HA SER 82 -8.681 2.449 2.638 582 1HB SER 82 HB2 SER 82 -6.507 2.147 3.990 583 2HB SER 82 HB1 SER 82 -7.473 3.572 4.362 584 HG SER 82 HG SER 82 -8.032 1.212 5.740 585 HA PRO 83 HA PRO 83 -8.246 -1.848 1.915 586 1HB PRO 83 HB2 PRO 83 -5.764 -2.046 0.781 587 2HB PRO 83 HB1 PRO 83 -7.159 -1.340 -0.059 588 1HG PRO 83 HG2 PRO 83 -4.886 0.010 1.302 589 2HG PRO 83 HG1 PRO 83 -5.738 0.453 -0.185 590 1HD PRO 83 HD2 PRO 83 -6.169 1.659 2.229 591 2HD PRO 83 HD1 PRO 83 -7.384 1.568 0.940 592 H TRP 84 HN TRP 84 -7.283 -3.778 2.740 593 HA TRP 84 HA TRP 84 -5.066 -3.468 4.713 594 1HB TRP 84 HB2 TRP 84 -6.457 -4.868 6.293 595 2HB TRP 84 HB1 TRP 84 -7.122 -3.265 5.986 596 HD1 TRP 84 HD1 TRP 84 -9.377 -3.091 4.672 597 HE1 TRP 84 HE1 TRP 84 -11.138 -4.832 3.954 598 HE3 TRP 84 HE3 TRP 84 -6.748 -7.393 5.485 599 HZ2 TRP 84 HZ2 TRP 84 -11.398 -7.673 3.755 600 HZ3 TRP 84 HZ3 TRP 84 -7.776 -9.600 5.026 601 HH2 TRP 84 HH2 TRP 84 -10.095 -9.746 4.161 602 H CYS 85 HN CYS 85 -4.989 -6.111 5.619 603 HA CYS 85 HA CYS 85 -5.413 -8.110 3.632 604 1HB CYS 85 HB2 CYS 85 -3.927 -7.368 2.088 605 2HB CYS 85 HB1 CYS 85 -3.229 -6.214 3.214 606 H TYR 86 HN TYR 86 -3.919 -10.064 4.046 607 HA TYR 86 HA TYR 86 -3.870 -10.637 6.882 608 1HB TYR 86 HB2 TYR 86 -2.773 -12.046 4.427 609 2HB TYR 86 HB1 TYR 86 -2.899 -12.785 6.024 610 HD1 TYR 86 HD1 TYR 86 -4.395 -13.098 3.075 611 HD2 TYR 86 HD2 TYR 86 -5.447 -11.778 7.024 612 HE1 TYR 86 HE1 TYR 86 -6.768 -13.670 2.636 613 HE2 TYR 86 HE2 TYR 86 -7.818 -12.349 6.587 614 HH TYR 86 HH TYR 86 -9.314 -12.810 4.906 615 H THR 87 HN THR 87 -1.792 -11.583 7.885 616 HA THR 87 HA THR 87 0.518 -9.776 7.248 617 HB THR 87 HB THR 87 0.968 -10.816 9.736 618 HG1 THR 87 HG1 THR 87 -0.807 -11.788 10.243 619 1HG2 THR 87 HG21 THR 87 0.560 -8.687 10.500 620 2HG2 THR 87 HG22 THR 87 -0.931 -8.523 9.573 621 3HG2 THR 87 HG23 THR 87 0.632 -8.364 8.768 622 H MET 88 HN MET 88 2.408 -10.769 6.595 623 HA MET 88 HA MET 88 2.578 -13.543 5.974 624 1HB MET 88 HB2 MET 88 3.988 -11.242 5.499 625 2HB MET 88 HB1 MET 88 5.076 -12.093 6.595 626 1HG MET 88 HG2 MET 88 4.441 -14.146 4.989 627 2HG MET 88 HG1 MET 88 4.202 -12.828 3.841 628 1HE MET 88 HE1 MET 88 5.837 -14.927 3.279 629 2HE MET 88 HE2 MET 88 7.589 -14.747 3.324 630 3HE MET 88 HE3 MET 88 6.633 -13.724 2.255 631 H ASP 89 HN ASP 89 2.616 -12.093 9.054 632 HA ASP 89 HA ASP 89 4.358 -14.206 10.210 633 1HB ASP 89 HB2 ASP 89 3.428 -11.454 10.952 634 2HB ASP 89 HB1 ASP 89 3.856 -12.566 12.252 635 HA PRO 90 HA PRO 90 0.679 -16.267 11.506 636 1HB PRO 90 HB2 PRO 90 1.840 -17.911 13.369 637 2HB PRO 90 HB1 PRO 90 1.972 -18.185 11.619 638 1HG PRO 90 HG2 PRO 90 3.934 -16.954 13.493 639 2HG PRO 90 HG1 PRO 90 4.210 -18.059 12.137 640 1HD PRO 90 HD2 PRO 90 4.641 -15.377 11.972 641 2HD PRO 90 HD1 PRO 90 4.163 -16.369 10.577 642 H ASN 91 HN ASN 91 2.475 -14.074 13.303 643 HA ASN 91 HA ASN 91 0.996 -14.420 15.839 644 1HB ASN 91 HB2 ASN 91 3.124 -12.552 14.769 645 2HB ASN 91 HB1 ASN 91 2.387 -12.312 16.354 646 1HD2 ASN 91 HD21 ASN 91 4.728 -14.183 14.587 647 2HD2 ASN 91 HD22 ASN 91 5.181 -15.204 15.865 648 H VAL 92 HN VAL 92 0.559 -12.861 12.830 649 HA VAL 92 HA VAL 92 -1.455 -10.995 14.045 650 HB VAL 92 HB VAL 92 0.280 -10.702 11.562 651 1HG1 VAL 92 HG11 VAL 92 -1.913 -9.041 12.794 652 2HG1 VAL 92 HG12 VAL 92 -1.643 -9.436 11.097 653 3HG1 VAL 92 HG13 VAL 92 -0.613 -8.253 11.901 654 1HG2 VAL 92 HG21 VAL 92 1.424 -10.524 13.825 655 2HG2 VAL 92 HG22 VAL 92 0.380 -9.142 14.161 656 3HG2 VAL 92 HG23 VAL 92 1.528 -9.076 12.823 657 H ARG 93 HN ARG 93 -3.534 -11.392 13.328 658 HA ARG 93 HA ARG 93 -4.056 -13.472 11.392 659 1HB ARG 93 HB2 ARG 93 -5.461 -13.026 13.369 660 2HB ARG 93 HB1 ARG 93 -5.829 -11.418 12.746 661 1HG ARG 93 HG2 ARG 93 -6.767 -12.543 10.679 662 2HG ARG 93 HG1 ARG 93 -6.604 -14.080 11.530 663 1HD ARG 93 HD2 ARG 93 -8.212 -11.699 12.532 664 2HD ARG 93 HD1 ARG 93 -8.894 -13.168 11.805 665 HE ARG 93 HE ARG 93 -7.398 -13.089 14.390 666 1HH1 ARG 93 HH11 ARG 93 -7.485 -15.590 12.480 667 2HH1 ARG 93 HH12 ARG 93 -8.689 -16.528 13.299 668 1HH2 ARG 93 HH21 ARG 93 -9.774 -13.895 15.276 669 2HH2 ARG 93 HH22 ARG 93 -9.986 -15.567 14.881 670 H TRP 94 HN TRP 94 -4.638 -9.964 11.495 671 HA TRP 94 HA TRP 94 -4.088 -9.678 8.625 672 1HB TRP 94 HB2 TRP 94 -6.328 -9.005 8.025 673 2HB TRP 94 HB1 TRP 94 -6.476 -10.537 8.886 674 HD1 TRP 94 HD1 TRP 94 -7.791 -10.558 11.111 675 HE1 TRP 94 HE1 TRP 94 -9.075 -8.773 12.457 676 HE3 TRP 94 HE3 TRP 94 -6.300 -6.349 8.637 677 HZ2 TRP 94 HZ2 TRP 94 -9.421 -5.933 12.480 678 HZ3 TRP 94 HZ3 TRP 94 -7.118 -4.119 9.341 679 HH2 TRP 94 HH2 TRP 94 -8.676 -3.905 11.257 680 H GLU 95 HN GLU 95 -4.316 -7.247 8.044 681 HA GLU 95 HA GLU 95 -4.553 -5.372 10.282 682 1HB GLU 95 HB2 GLU 95 -2.041 -6.663 9.600 683 2HB GLU 95 HB1 GLU 95 -1.912 -4.912 9.437 684 1HG GLU 95 HG2 GLU 95 -2.836 -6.446 11.883 685 2HG GLU 95 HG1 GLU 95 -1.354 -5.502 11.722 686 H TYR 96 HN TYR 96 -4.849 -3.273 9.512 687 HA TYR 96 HA TYR 96 -5.399 -2.824 6.738 688 1HB TYR 96 HB2 TYR 96 -5.044 -1.219 9.243 689 2HB TYR 96 HB1 TYR 96 -5.055 -0.347 7.710 690 HD1 TYR 96 HD1 TYR 96 -7.016 -0.727 6.110 691 HD2 TYR 96 HD2 TYR 96 -7.054 -1.994 10.214 692 HE1 TYR 96 HE1 TYR 96 -9.490 -0.887 6.038 693 HE2 TYR 96 HE2 TYR 96 -9.527 -2.155 10.141 694 HH TYR 96 HH TYR 96 -11.398 -1.079 8.754 695 H CYS 97 HN CYS 97 -4.120 -0.991 5.508 696 HA CYS 97 HA CYS 97 -1.200 -1.575 5.838 697 1HB CYS 97 HB2 CYS 97 -2.979 -1.003 3.465 698 2HB CYS 97 HB1 CYS 97 -1.220 -0.932 3.347 699 H ASN 98 HN ASN 98 0.133 0.318 4.743 700 HA ASN 98 HA ASN 98 -0.545 2.763 6.240 701 1HB ASN 98 HB2 ASN 98 1.763 1.583 4.764 702 2HB ASN 98 HB1 ASN 98 1.742 3.333 4.984 703 1HD2 ASN 98 HD21 ASN 98 3.421 1.119 6.330 704 2HD2 ASN 98 HD22 ASN 98 3.225 1.410 7.991 705 H LEU 99 HN LEU 99 -2.545 2.969 4.526 706 HA LEU 99 HA LEU 99 -1.531 4.360 2.085 707 1HB LEU 99 HB2 LEU 99 -4.416 3.751 2.672 708 2HB LEU 99 HB1 LEU 99 -3.607 3.858 1.115 709 HG LEU 99 HG LEU 99 -3.837 1.580 1.293 710 1HD1 LEU 99 HD11 LEU 99 -1.277 2.481 1.637 711 2HD1 LEU 99 HD12 LEU 99 -1.712 0.798 1.338 712 3HD1 LEU 99 HD13 LEU 99 -1.443 1.360 2.988 713 1HD2 LEU 99 HD21 LEU 99 -4.155 2.212 4.095 714 2HD2 LEU 99 HD22 LEU 99 -3.173 0.769 3.879 715 3HD2 LEU 99 HD23 LEU 99 -4.783 0.843 3.182 716 H THR 100 HN THR 100 -1.866 6.540 1.833 717 HA THR 100 HA THR 100 -3.255 7.990 4.048 718 HB THR 100 HB THR 100 -1.840 9.834 3.414 719 HG1 THR 100 HG1 THR 100 -0.417 9.525 1.584 720 1HG2 THR 100 HG21 THR 100 -0.149 8.853 4.520 721 2HG2 THR 100 HG22 THR 100 0.339 8.025 3.041 722 3HG2 THR 100 HG23 THR 100 -0.824 7.270 4.131 723 H GLN 101 HN GLN 101 -4.657 9.819 3.334 724 HA GLN 101 HA GLN 101 -6.366 9.107 1.132 725 1HB GLN 101 HB2 GLN 101 -6.541 10.721 3.301 726 2HB GLN 101 HB1 GLN 101 -6.235 11.932 2.054 727 1HG GLN 101 HG2 GLN 101 -8.077 10.557 0.730 728 2HG GLN 101 HG1 GLN 101 -8.563 10.069 2.354 729 1HE2 GLN 101 HE21 GLN 101 -9.894 11.521 3.464 730 2HE2 GLN 101 HE22 GLN 101 -10.121 13.148 3.034 731 H CYS 102 HN CYS 102 -5.250 8.981 -0.858 732 HA CYS 102 HA CYS 102 -3.735 11.391 -1.682 733 1HB CYS 102 HB2 CYS 102 -3.247 8.609 -1.826 734 2HB CYS 102 HB1 CYS 102 -3.446 9.186 -3.480 735 HA PRO 103 HA PRO 103 -7.686 11.326 -4.165 736 1HB PRO 103 HB2 PRO 103 -8.352 13.944 -3.713 737 2HB PRO 103 HB1 PRO 103 -8.850 12.621 -2.638 738 1HG PRO 103 HG2 PRO 103 -6.617 14.569 -2.332 739 2HG PRO 103 HG1 PRO 103 -7.734 13.934 -1.114 740 1HD PRO 103 HD2 PRO 103 -5.186 13.033 -1.401 741 2HD PRO 103 HD1 PRO 103 -6.519 12.018 -0.804 742 H VAL 104 HN VAL 104 -5.871 11.164 -5.826 743 HA VAL 104 HA VAL 104 -5.385 13.836 -7.104 744 HB VAL 104 HB VAL 104 -3.566 11.408 -7.078 745 1HG1 VAL 104 HG11 VAL 104 -3.525 14.077 -8.349 746 2HG1 VAL 104 HG12 VAL 104 -2.688 12.596 -8.813 747 3HG1 VAL 104 HG13 VAL 104 -2.025 13.620 -7.540 748 1HG2 VAL 104 HG21 VAL 104 -3.716 12.217 -4.812 749 2HG2 VAL 104 HG22 VAL 104 -3.613 13.895 -5.345 750 3HG2 VAL 104 HG23 VAL 104 -2.207 12.838 -5.482 751 H THR 105 HN THR 105 -7.025 10.988 -7.418 752 HA THR 105 HA THR 105 -6.529 10.621 -10.323 753 HB THR 105 HB THR 105 -8.491 9.161 -8.547 754 HG1 THR 105 HG1 THR 105 -5.704 9.110 -8.593 755 1HG2 THR 105 HG21 THR 105 -8.732 7.874 -10.370 756 2HG2 THR 105 HG22 THR 105 -7.001 7.536 -10.373 757 3HG2 THR 105 HG23 THR 105 -7.628 8.931 -11.249 758 H GLU 106 HN GLU 106 -7.993 13.006 -9.009 759 HA GLU 106 HA GLU 106 -10.723 13.086 -9.313 760 1HB GLU 106 HB2 GLU 106 -8.705 14.881 -9.034 761 2HB GLU 106 HB1 GLU 106 -9.220 15.251 -10.681 762 1HG GLU 106 HG2 GLU 106 -10.874 16.485 -9.768 763 2HG GLU 106 HG1 GLU 106 -11.612 14.963 -9.265 764 H SER 107 HN SER 107 -12.174 12.875 -11.002 765 HA SER 107 HA SER 107 -11.358 11.759 -13.519 766 1HB SER 107 HB2 SER 107 -13.815 12.706 -12.162 767 2HB SER 107 HB1 SER 107 -13.889 12.696 -13.922 768 HG SER 107 HG SER 107 -13.873 10.625 -12.151 769 H SER 108 HN SER 108 -13.449 14.585 -13.545 770 HA SER 108 HA SER 108 -11.712 15.799 -15.637 771 1HB SER 108 HB2 SER 108 -14.487 15.415 -15.222 772 2HB SER 108 HB1 SER 108 -14.211 17.151 -15.115 773 HG SER 108 HG SER 108 -13.376 15.410 -17.203 774 H VAL 109 HN VAL 109 -11.075 18.031 -15.464 775 HA VAL 109 HA VAL 109 -11.583 19.429 -12.893 776 HB VAL 109 HB VAL 109 -9.601 17.907 -12.637 777 1HG1 VAL 109 HG11 VAL 109 -7.567 18.407 -13.897 778 2HG1 VAL 109 HG12 VAL 109 -8.383 19.726 -14.738 779 3HG1 VAL 109 HG13 VAL 109 -8.880 18.058 -15.022 780 1HG2 VAL 109 HG21 VAL 109 -7.988 19.847 -12.006 781 2HG2 VAL 109 HG22 VAL 109 -9.553 19.780 -11.197 782 3HG2 VAL 109 HG23 VAL 109 -9.297 20.907 -12.528 783 H LEU 110 HN LEU 110 -11.274 21.697 -13.076 784 HA LEU 110 HA LEU 110 -10.237 22.776 -15.649 785 1HB LEU 110 HB2 LEU 110 -13.027 23.067 -14.514 786 2HB LEU 110 HB1 LEU 110 -12.380 24.196 -15.705 787 HG LEU 110 HG LEU 110 -12.426 21.199 -16.124 788 1HD1 LEU 110 HD11 LEU 110 -14.286 22.206 -17.844 789 2HD1 LEU 110 HD12 LEU 110 -14.531 23.253 -16.445 790 3HD1 LEU 110 HD13 LEU 110 -14.680 21.503 -16.275 791 1HD2 LEU 110 HD21 LEU 110 -10.834 22.170 -17.574 792 2HD2 LEU 110 HD22 LEU 110 -11.806 23.622 -17.810 793 3HD2 LEU 110 HD23 LEU 110 -12.296 22.103 -18.558 794 H ALA 111 HN ALA 111 -12.235 24.326 -13.152 795 HA ALA 111 HA ALA 111 -10.499 26.574 -12.836 796 1HB ALA 111 HB1 ALA 111 -12.928 26.436 -12.283 797 2HB ALA 111 HB2 ALA 111 -11.975 27.056 -10.935 798 3HB ALA 111 HB3 ALA 111 -12.534 25.384 -10.924 799 H THR 112 HN THR 112 -9.965 26.965 -10.206 800 HA THR 112 HA THR 112 -7.679 25.218 -9.722 801 HB THR 112 HB THR 112 -7.757 27.669 -9.281 802 HG1 THR 112 HG1 THR 112 -7.294 27.147 -6.791 803 1HG2 THR 112 HG21 THR 112 -9.130 27.607 -6.765 804 2HG2 THR 112 HG22 THR 112 -10.198 26.954 -8.007 805 3HG2 THR 112 HG23 THR 112 -9.508 28.566 -8.196 806 H SER 113 HN SER 113 -7.379 24.122 -7.573 807 HA SER 113 HA SER 113 -9.338 22.198 -6.973 808 1HB SER 113 HB2 SER 113 -7.633 23.201 -4.754 809 2HB SER 113 HB1 SER 113 -7.798 21.566 -5.388 810 HG SER 113 HG SER 113 -5.818 23.110 -5.820 811 H THR 114 HN THR 114 -10.745 22.033 -5.033 812 HA THR 114 HA THR 114 -11.418 24.548 -3.630 813 HB THR 114 HB THR 114 -13.357 23.068 -5.437 814 HG1 THR 114 HG1 THR 114 -12.896 24.538 -6.864 815 1HG2 THR 114 HG21 THR 114 -14.302 24.090 -3.325 816 2HG2 THR 114 HG22 THR 114 -14.967 24.743 -4.822 817 3HG2 THR 114 HG23 THR 114 -13.756 25.657 -3.923 818 H ALA 115 HN ALA 115 -11.758 23.941 -1.539 819 HA ALA 115 HA ALA 115 -12.548 21.127 -0.955 820 1HB ALA 115 HB1 ALA 115 -11.951 22.201 1.432 821 2HB ALA 115 HB2 ALA 115 -11.112 23.365 0.408 822 3HB ALA 115 HB3 ALA 115 -10.692 21.654 0.325 823 H VAL 116 HN VAL 116 -13.170 23.825 1.200 824 HA VAL 116 HA VAL 116 -16.120 23.395 0.833 825 HB VAL 116 HB VAL 116 -16.212 23.799 3.317 826 1HG1 VAL 116 HG11 VAL 116 -14.400 21.578 3.401 827 2HG1 VAL 116 HG12 VAL 116 -15.313 21.500 1.893 828 3HG1 VAL 116 HG13 VAL 116 -16.164 21.553 3.437 829 1HG2 VAL 116 HG21 VAL 116 -13.446 23.173 3.843 830 2HG2 VAL 116 HG22 VAL 116 -14.386 24.555 4.403 831 3HG2 VAL 116 HG23 VAL 116 -13.540 24.632 2.858 832 H SER 117 HN SER 117 -16.853 25.266 -0.127 833 HA SER 117 HA SER 117 -15.551 27.858 0.451 834 1HB SER 117 HB2 SER 117 -17.983 27.385 -1.262 835 2HB SER 117 HB1 SER 117 -16.703 28.575 -1.476 836 HG SER 117 HG SER 117 -16.880 26.131 -2.496 837 H GLU 118 HN GLU 118 -16.278 29.078 2.141 838 HA GLU 118 HA GLU 118 -18.478 28.549 3.803 839 1HB GLU 118 HB2 GLU 118 -16.753 30.879 3.108 840 2HB GLU 118 HB1 GLU 118 -18.222 31.228 4.021 841 1HG GLU 118 HG2 GLU 118 -17.241 29.008 5.327 842 2HG GLU 118 HG1 GLU 118 -15.764 29.864 4.883 843 H GLN 119 HN GLN 119 -18.355 30.345 0.755 844 HA GLN 119 HA GLN 119 -21.298 30.197 0.547 845 1HB GLN 119 HB2 GLN 119 -20.664 32.245 1.904 846 2HB GLN 119 HB1 GLN 119 -19.840 32.854 0.468 847 1HG GLN 119 HG2 GLN 119 -21.799 33.298 -0.635 848 2HG GLN 119 HG1 GLN 119 -22.632 31.916 0.077 849 1HE2 GLN 119 HE21 GLN 119 -23.195 32.175 2.490 850 2HE2 GLN 119 HE22 GLN 119 -23.608 33.728 3.036 Start of MODEL 9 1 1H ALA 1 HT1 ALA 1 19.904 16.306 -8.281 2 2H ALA 1 HT2 ALA 1 20.082 17.826 -9.018 3 3H ALA 1 HT3 ALA 1 18.558 17.321 -8.462 4 HA ALA 1 HA ALA 1 19.124 17.600 -6.226 5 1HB ALA 1 HB1 ALA 1 21.780 18.124 -6.004 6 2HB ALA 1 HB2 ALA 1 21.791 17.095 -7.436 7 3HB ALA 1 HB3 ALA 1 21.114 16.494 -5.922 8 H ARG 2 HN ARG 2 21.677 19.397 -7.950 9 HA ARG 2 HA ARG 2 22.011 21.728 -8.168 10 1HB ARG 2 HB2 ARG 2 19.224 21.026 -8.808 11 2HB ARG 2 HB1 ARG 2 19.445 22.727 -8.396 12 1HG ARG 2 HG2 ARG 2 20.680 23.155 -10.264 13 2HG ARG 2 HG1 ARG 2 21.499 21.594 -10.200 14 1HD ARG 2 HD2 ARG 2 19.144 20.630 -10.871 15 2HD ARG 2 HD1 ARG 2 18.849 22.284 -11.447 16 HE ARG 2 HE ARG 2 21.079 20.532 -12.395 17 1HH1 ARG 2 HH21 ARG 2 18.512 21.746 -13.822 18 2HH1 ARG 2 HH22 ARG 2 19.300 22.880 -14.867 19 1HH2 ARG 2 HH11 ARG 2 22.350 22.672 -13.230 20 2HH2 ARG 2 HH12 ARG 2 21.473 23.405 -14.532 21 H ILE 3 HN ILE 3 20.649 23.917 -7.247 22 HA ILE 3 HA ILE 3 20.929 23.637 -4.311 23 HB ILE 3 HB ILE 3 20.397 26.066 -6.052 24 1HG1 ILE 3 HG12 ILE 3 23.105 25.276 -5.007 25 2HG1 ILE 3 HG11 ILE 3 22.511 24.564 -6.507 26 1HG2 ILE 3 HG21 ILE 3 21.150 25.600 -3.191 27 2HG2 ILE 3 HG22 ILE 3 20.046 26.792 -3.877 28 3HG2 ILE 3 HG23 ILE 3 21.789 27.025 -4.010 29 1HD1 ILE 3 HD11 ILE 3 22.266 26.728 -7.531 30 2HD1 ILE 3 HD12 ILE 3 23.874 26.680 -6.808 31 3HD1 ILE 3 HD13 ILE 3 22.570 27.549 -6.000 32 H HIS 4 HN HIS 4 18.886 22.399 -4.028 33 HA HIS 4 HA HIS 4 16.457 24.151 -4.250 34 1HB HIS 4 HB2 HIS 4 17.014 21.746 -5.502 35 2HB HIS 4 HB1 HIS 4 16.057 21.244 -4.108 36 HD1 HIS 4 HD1 HIS 4 14.350 20.716 -6.267 37 HD2 HIS 4 HD2 HIS 4 14.862 24.690 -5.117 38 HE1 HIS 4 HE1 HIS 4 12.385 21.997 -7.223 39 H HIS 5 HN HIS 5 18.429 22.107 -2.228 40 HA HIS 5 HA HIS 5 17.192 23.052 0.199 41 1HB HIS 5 HB2 HIS 5 15.572 21.340 -1.014 42 2HB HIS 5 HB1 HIS 5 16.646 20.142 -0.290 43 HD1 HIS 5 HD1 HIS 5 13.556 21.201 0.503 44 HD2 HIS 5 HD2 HIS 5 17.113 21.585 2.643 45 HE1 HIS 5 HE1 HIS 5 12.901 21.544 2.926 46 H HIS 6 HN HIS 6 19.351 23.286 0.919 47 HA HIS 6 HA HIS 6 20.772 20.719 1.517 48 1HB HIS 6 HB2 HIS 6 21.511 22.240 -0.532 49 2HB HIS 6 HB1 HIS 6 22.277 23.194 0.738 50 HD1 HIS 6 HD1 HIS 6 23.915 21.760 2.386 51 HD2 HIS 6 HD2 HIS 6 22.969 20.001 -1.273 52 HE1 HIS 6 HE1 HIS 6 25.627 19.932 2.006 53 H HIS 7 HN HIS 7 19.463 21.509 3.594 54 HA HIS 7 HA HIS 7 20.778 23.686 5.085 55 1HB HIS 7 HB2 HIS 7 18.269 22.910 4.999 56 2HB HIS 7 HB1 HIS 7 18.789 21.711 6.184 57 HD1 HIS 7 HD1 HIS 7 17.298 22.993 7.977 58 HD2 HIS 7 HD2 HIS 7 20.513 25.182 6.478 59 HE1 HIS 7 HE1 HIS 7 17.610 24.965 9.535 60 H HIS 8 HN HIS 8 22.924 22.374 4.907 61 HA HIS 8 HA HIS 8 24.548 20.994 5.938 62 1HB HIS 8 HB2 HIS 8 22.650 21.801 8.154 63 2HB HIS 8 HB1 HIS 8 24.154 20.936 8.473 64 HD1 HIS 8 HD1 HIS 8 26.398 22.165 7.666 65 HD2 HIS 8 HD2 HIS 8 22.970 24.536 7.690 66 HE1 HIS 8 HE1 HIS 8 27.188 24.567 7.524 67 H HIS 9 HN HIS 9 22.501 19.529 4.596 68 HA HIS 9 HA HIS 9 22.245 17.145 6.401 69 1HB HIS 9 HB2 HIS 9 20.287 18.720 4.871 70 2HB HIS 9 HB1 HIS 9 20.171 16.985 4.579 71 HD1 HIS 9 HD1 HIS 9 20.624 15.687 7.178 72 HD2 HIS 9 HD2 HIS 9 18.565 19.304 6.940 73 HE1 HIS 9 HE1 HIS 9 19.244 15.867 9.294 74 H ILE 10 HN ILE 10 23.884 15.859 5.537 75 HA ILE 10 HA ILE 10 23.643 15.184 2.629 76 HB ILE 10 HB ILE 10 25.489 16.810 3.121 77 1HG1 ILE 10 HG12 ILE 10 27.173 15.631 1.861 78 2HG1 ILE 10 HG11 ILE 10 26.551 14.067 2.387 79 1HG2 ILE 10 HG21 ILE 10 26.048 14.764 5.173 80 2HG2 ILE 10 HG22 ILE 10 26.469 16.476 5.146 81 3HG2 ILE 10 HG23 ILE 10 27.469 15.308 4.281 82 1HD1 ILE 10 HD11 ILE 10 24.581 14.288 1.082 83 2HD1 ILE 10 HD12 ILE 10 25.877 14.855 0.029 84 3HD1 ILE 10 HD13 ILE 10 24.834 16.018 0.848 85 H GLU 11 HN GLU 11 22.703 13.809 5.104 86 HA GLU 11 HA GLU 11 24.524 11.474 5.330 87 1HB GLU 11 HB2 GLU 11 22.158 12.611 6.786 88 2HB GLU 11 HB1 GLU 11 22.560 10.909 7.012 89 1HG GLU 11 HG2 GLU 11 25.025 12.142 7.217 90 2HG GLU 11 HG1 GLU 11 23.947 13.299 8.000 91 H GLY 12 HN GLY 12 23.980 10.913 2.976 92 1HA GLY 12 HA2 GLY 12 21.870 8.892 2.960 93 2HA GLY 12 HA1 GLY 12 21.540 10.255 1.890 94 H ARG 13 HN ARG 13 22.480 7.264 1.576 95 HA ARG 13 HA ARG 13 24.887 7.756 -0.118 96 1HB ARG 13 HB2 ARG 13 23.525 5.332 1.076 97 2HB ARG 13 HB1 ARG 13 24.827 5.181 -0.105 98 1HG ARG 13 HG2 ARG 13 26.253 6.621 1.383 99 2HG ARG 13 HG1 ARG 13 24.972 6.552 2.594 100 1HD ARG 13 HD2 ARG 13 25.953 3.961 1.445 101 2HD ARG 13 HD1 ARG 13 26.957 4.784 2.655 102 HE ARG 13 HE ARG 13 24.110 4.626 3.355 103 1HH1 ARG 13 HH21 ARG 13 27.110 4.382 4.646 104 2HH1 ARG 13 HH22 ARG 13 26.834 2.941 5.566 105 1HH2 ARG 13 HH11 ARG 13 23.795 2.237 4.052 106 2HH2 ARG 13 HH12 ARG 13 24.960 1.725 5.227 107 H ALA 14 HN ALA 14 21.671 6.187 -0.291 108 HA ALA 14 HA ALA 14 21.849 5.780 -3.179 109 1HB ALA 14 HB1 ALA 14 19.179 5.665 -2.098 110 2HB ALA 14 HB2 ALA 14 20.300 4.917 -0.961 111 3HB ALA 14 HB3 ALA 14 20.208 4.332 -2.622 112 HA PRO 15 HA PRO 15 20.363 9.759 -4.357 113 1HB PRO 15 HB2 PRO 15 19.442 9.130 -6.856 114 2HB PRO 15 HB1 PRO 15 21.169 9.269 -6.470 115 1HG PRO 15 HG2 PRO 15 19.486 6.833 -6.758 116 2HG PRO 15 HG1 PRO 15 21.160 7.114 -7.260 117 1HD PRO 15 HD2 PRO 15 20.469 5.721 -5.016 118 2HD PRO 15 HD1 PRO 15 22.003 6.602 -5.195 119 H THR 16 HN THR 16 18.233 6.950 -4.955 120 HA THR 16 HA THR 16 15.973 8.365 -3.708 121 HB THR 16 HB THR 16 15.840 9.308 -5.905 122 HG1 THR 16 HG1 THR 16 13.865 8.654 -6.395 123 1HG2 THR 16 HG21 THR 16 16.029 7.987 -7.940 124 2HG2 THR 16 HG22 THR 16 16.146 6.499 -7.001 125 3HG2 THR 16 HG23 THR 16 17.445 7.691 -6.932 126 H GLU 17 HN GLU 17 16.218 6.431 -2.324 127 HA GLU 17 HA GLU 17 16.254 3.759 -2.926 128 1HB GLU 17 HB2 GLU 17 14.600 5.341 -0.951 129 2HB GLU 17 HB1 GLU 17 14.644 3.577 -0.924 130 1HG GLU 17 HG2 GLU 17 17.277 4.013 -1.023 131 2HG GLU 17 HG1 GLU 17 16.801 5.537 -0.273 132 H GLN 18 HN GLN 18 14.994 2.385 -4.122 133 HA GLN 18 HA GLN 18 12.889 3.128 -5.784 134 1HB GLN 18 HB2 GLN 18 13.951 0.630 -4.573 135 2HB GLN 18 HB1 GLN 18 12.345 0.519 -5.296 136 1HG GLN 18 HG2 GLN 18 13.210 1.435 -7.404 137 2HG GLN 18 HG1 GLN 18 14.813 1.603 -6.687 138 1HE2 GLN 18 HE21 GLN 18 16.161 -0.245 -6.670 139 2HE2 GLN 18 HE22 GLN 18 15.665 -1.780 -7.198 140 H SER 19 HN SER 19 12.813 2.501 -2.355 141 HA SER 19 HA SER 19 10.068 1.831 -1.990 142 1HB SER 19 HB2 SER 19 12.192 3.210 -0.350 143 2HB SER 19 HB1 SER 19 10.574 2.952 0.297 144 HG SER 19 HG SER 19 11.611 1.134 0.839 145 HA PRO 20 HA PRO 20 7.954 5.597 -2.762 146 1HB PRO 20 HB2 PRO 20 5.952 5.473 -0.901 147 2HB PRO 20 HB1 PRO 20 5.990 4.446 -2.348 148 1HG PRO 20 HG2 PRO 20 6.730 3.790 0.457 149 2HG PRO 20 HG1 PRO 20 5.910 2.796 -0.757 150 1HD PRO 20 HD2 PRO 20 8.553 2.533 -0.116 151 2HD PRO 20 HD1 PRO 20 7.872 2.095 -1.697 152 H GLY 21 HN GLY 21 6.831 7.463 -1.232 153 1HA GLY 21 HA2 GLY 21 8.942 8.863 0.010 154 2HA GLY 21 HA1 GLY 21 7.233 9.203 0.290 155 H VAL 22 HN VAL 22 6.187 8.208 2.088 156 HA VAL 22 HA VAL 22 7.819 6.519 3.901 157 HB VAL 22 HB VAL 22 8.444 8.809 4.465 158 1HG1 VAL 22 HG11 VAL 22 5.516 9.375 4.965 159 2HG1 VAL 22 HG12 VAL 22 6.300 9.755 3.431 160 3HG1 VAL 22 HG13 VAL 22 6.851 10.527 4.918 161 1HG2 VAL 22 HG21 VAL 22 6.552 8.502 6.667 162 2HG2 VAL 22 HG22 VAL 22 8.310 8.359 6.678 163 3HG2 VAL 22 HG23 VAL 22 7.315 6.970 6.241 164 H GLN 23 HN GLN 23 6.374 4.880 4.304 165 HA GLN 23 HA GLN 23 4.344 3.789 4.831 166 1HB GLN 23 HB2 GLN 23 4.587 6.296 6.369 167 2HB GLN 23 HB1 GLN 23 2.944 5.657 6.283 168 1HG GLN 23 HG2 GLN 23 3.478 3.736 7.442 169 2HG GLN 23 HG1 GLN 23 5.143 3.723 6.861 170 1HE2 GLN 23 HE21 GLN 23 4.665 3.368 9.617 171 2HE2 GLN 23 HE22 GLN 23 5.185 4.746 10.461 172 H ASP 24 HN ASP 24 3.273 3.577 2.840 173 HA ASP 24 HA ASP 24 2.098 5.630 1.279 174 1HB ASP 24 HB2 ASP 24 2.455 2.935 1.132 175 2HB ASP 24 HB1 ASP 24 0.716 3.016 1.418 176 H CYS 25 HN CYS 25 -0.589 4.806 1.021 177 HA CYS 25 HA CYS 25 -1.921 5.088 3.619 178 1HB CYS 25 HB2 CYS 25 -2.611 7.318 3.412 179 2HB CYS 25 HB1 CYS 25 -0.969 7.374 2.779 180 H TYR 26 HN TYR 26 -4.394 5.792 3.020 181 HA TYR 26 HA TYR 26 -5.340 4.577 0.507 182 1HB TYR 26 HB2 TYR 26 -6.547 2.784 1.635 183 2HB TYR 26 HB1 TYR 26 -4.845 2.689 2.083 184 HD1 TYR 26 HD1 TYR 26 -4.168 2.854 4.344 185 HD2 TYR 26 HD2 TYR 26 -8.156 3.984 3.219 186 HE1 TYR 26 HE1 TYR 26 -4.786 3.051 6.737 187 HE2 TYR 26 HE2 TYR 26 -8.775 4.181 5.612 188 HH TYR 26 HH TYR 26 -7.481 2.880 7.956 189 H HIS 27 HN HIS 27 -7.663 4.963 0.222 190 HA HIS 27 HA HIS 27 -8.601 7.287 1.834 191 1HB HIS 27 HB2 HIS 27 -8.565 7.683 -0.510 192 2HB HIS 27 HB1 HIS 27 -9.237 6.093 -0.871 193 HD1 HIS 27 HD1 HIS 27 -10.201 9.552 0.165 194 HD2 HIS 27 HD2 HIS 27 -12.071 5.878 -0.455 195 HE1 HIS 27 HE1 HIS 27 -12.691 10.013 0.127 196 H GLY 28 HN GLY 28 -10.825 7.299 2.630 197 1HA GLY 28 HA2 GLY 28 -12.532 6.270 3.889 198 2HA GLY 28 HA1 GLY 28 -12.734 5.275 2.445 199 H ASP 29 HN ASP 29 -12.514 3.129 2.814 200 HA ASP 29 HA ASP 29 -10.714 2.276 5.043 201 1HB ASP 29 HB2 ASP 29 -13.442 1.447 4.133 202 2HB ASP 29 HB1 ASP 29 -12.408 0.228 4.879 203 H GLY 30 HN GLY 30 -9.298 2.549 2.889 204 1HA GLY 30 HA2 GLY 30 -7.968 1.393 1.337 205 2HA GLY 30 HA1 GLY 30 -8.534 -0.102 2.092 206 H GLN 31 HN GLN 31 -11.123 1.871 1.196 207 HA GLN 31 HA GLN 31 -11.904 0.003 -0.935 208 1HB GLN 31 HB2 GLN 31 -13.113 2.446 0.384 209 2HB GLN 31 HB1 GLN 31 -13.935 1.554 -0.897 210 1HG GLN 31 HG2 GLN 31 -12.939 0.304 1.678 211 2HG GLN 31 HG1 GLN 31 -14.604 0.817 1.405 212 1HE2 GLN 31 HE21 GLN 31 -15.781 -0.287 -0.432 213 2HE2 GLN 31 HE22 GLN 31 -15.328 -1.864 -0.865 214 H SER 32 HN SER 32 -11.817 0.419 -3.123 215 HA SER 32 HA SER 32 -11.454 1.596 -5.142 216 1HB SER 32 HB2 SER 32 -12.544 3.579 -5.072 217 2HB SER 32 HB1 SER 32 -12.710 3.332 -3.337 218 HG SER 32 HG SER 32 -10.989 4.599 -2.981 219 H TYR 33 HN TYR 33 -9.315 1.268 -2.722 220 HA TYR 33 HA TYR 33 -7.262 3.105 -2.866 221 1HB TYR 33 HB2 TYR 33 -7.350 0.942 -1.592 222 2HB TYR 33 HB1 TYR 33 -6.960 0.093 -3.087 223 HD1 TYR 33 HD1 TYR 33 -5.417 3.284 -3.108 224 HD2 TYR 33 HD2 TYR 33 -5.003 -0.664 -1.460 225 HE1 TYR 33 HE1 TYR 33 -3.006 3.702 -2.711 226 HE2 TYR 33 HE2 TYR 33 -2.591 -0.242 -1.065 227 HH TYR 33 HH TYR 33 -0.961 2.492 -2.386 228 H ARG 34 HN ARG 34 -7.099 4.139 -4.925 229 HA ARG 34 HA ARG 34 -6.776 2.680 -7.408 230 1HB ARG 34 HB2 ARG 34 -7.389 5.226 -6.640 231 2HB ARG 34 HB1 ARG 34 -5.709 5.432 -7.135 232 1HG ARG 34 HG2 ARG 34 -6.269 4.270 -9.292 233 2HG ARG 34 HG1 ARG 34 -7.963 4.281 -8.801 234 1HD ARG 34 HD2 ARG 34 -8.188 6.429 -9.486 235 2HD ARG 34 HD1 ARG 34 -6.809 6.929 -8.487 236 HE ARG 34 HE ARG 34 -6.085 5.462 -10.929 237 1HH1 ARG 34 HH21 ARG 34 -5.383 8.077 -8.999 238 2HH1 ARG 34 HH22 ARG 34 -4.992 9.166 -10.288 239 1HH2 ARG 34 HH11 ARG 34 -6.125 7.044 -12.784 240 2HH2 ARG 34 HH12 ARG 34 -5.411 8.582 -12.430 241 H GLY 35 HN GLY 35 -4.932 1.660 -8.076 242 1HA GLY 35 HA2 GLY 35 -2.482 2.078 -8.581 243 2HA GLY 35 HA1 GLY 35 -2.336 2.562 -6.891 244 H SER 36 HN SER 36 -0.748 0.506 -7.899 245 HA SER 36 HA SER 36 -2.003 -1.992 -6.821 246 1HB SER 36 HB2 SER 36 0.582 -1.908 -8.331 247 2HB SER 36 HB1 SER 36 -0.689 -3.126 -8.368 248 HG SER 36 HG SER 36 -0.479 -1.653 -10.245 249 H PHE 37 HN PHE 37 -1.477 -0.895 -4.629 250 HA PHE 37 HA PHE 37 1.377 -0.817 -3.907 251 1HB PHE 37 HB2 PHE 37 -0.464 0.764 -3.121 252 2HB PHE 37 HB1 PHE 37 -1.057 -0.570 -2.128 253 HD1 PHE 37 HD1 PHE 37 -0.480 -0.152 0.104 254 HD2 PHE 37 HD2 PHE 37 2.409 0.563 -2.993 255 HE1 PHE 37 HE1 PHE 37 1.235 0.360 1.821 256 HE2 PHE 37 HE2 PHE 37 4.123 1.076 -1.276 257 HZ PHE 37 HZ PHE 37 3.537 0.976 1.129 258 H SER 38 HN SER 38 1.075 -3.345 -4.685 259 HA SER 38 HA SER 38 0.038 -5.199 -2.754 260 1HB SER 38 HB2 SER 38 1.901 -6.591 -4.088 261 2HB SER 38 HB1 SER 38 0.383 -6.110 -4.841 262 HG SER 38 HG SER 38 2.951 -5.248 -5.300 263 H THR 39 HN THR 39 1.508 -3.330 -1.201 264 HA THR 39 HA THR 39 3.930 -4.902 -0.402 265 HB THR 39 HB THR 39 3.541 -2.060 0.413 266 HG1 THR 39 HG1 THR 39 4.643 -1.874 -1.902 267 1HG2 THR 39 HG21 THR 39 5.839 -2.054 0.473 268 2HG2 THR 39 HG22 THR 39 5.982 -3.122 -0.922 269 3HG2 THR 39 HG23 THR 39 5.577 -3.788 0.659 270 H THR 40 HN THR 40 3.768 -5.825 1.607 271 HA THR 40 HA THR 40 1.397 -5.342 3.252 272 HB THR 40 HB THR 40 2.557 -7.101 4.666 273 HG1 THR 40 HG1 THR 40 4.564 -7.514 4.266 274 1HG2 THR 40 HG21 THR 40 2.557 -8.823 2.720 275 2HG2 THR 40 HG22 THR 40 2.044 -7.463 1.721 276 3HG2 THR 40 HG23 THR 40 1.053 -7.978 3.086 277 H VAL 41 HN VAL 41 1.412 -4.517 5.397 278 HA VAL 41 HA VAL 41 2.890 -2.215 5.970 279 HB VAL 41 HB VAL 41 1.519 -4.318 7.651 280 1HG1 VAL 41 HG11 VAL 41 2.929 -3.504 9.304 281 2HG1 VAL 41 HG12 VAL 41 1.626 -2.319 9.395 282 3HG1 VAL 41 HG13 VAL 41 3.110 -1.934 8.523 283 1HG2 VAL 41 HG21 VAL 41 -0.129 -2.467 7.925 284 2HG2 VAL 41 HG22 VAL 41 0.104 -2.911 6.234 285 3HG2 VAL 41 HG23 VAL 41 0.867 -1.456 6.877 286 H THR 42 HN THR 42 3.808 -5.578 6.408 287 HA THR 42 HA THR 42 6.061 -5.046 8.181 288 HB THR 42 HB THR 42 5.218 -7.385 6.441 289 HG1 THR 42 HG1 THR 42 5.155 -7.080 9.251 290 1HG2 THR 42 HG21 THR 42 7.640 -6.903 8.056 291 2HG2 THR 42 HG22 THR 42 7.367 -8.060 6.753 292 3HG2 THR 42 HG23 THR 42 6.823 -8.430 8.390 293 H GLY 43 HN GLY 43 5.527 -4.512 4.878 294 1HA GLY 43 HA2 GLY 43 7.107 -3.529 3.376 295 2HA GLY 43 HA1 GLY 43 8.408 -4.042 4.450 296 H ARG 44 HN ARG 44 5.958 -6.349 3.586 297 HA ARG 44 HA ARG 44 8.001 -7.844 1.996 298 1HB ARG 44 HB2 ARG 44 6.443 -8.533 4.146 299 2HB ARG 44 HB1 ARG 44 5.468 -9.134 2.805 300 1HG ARG 44 HG2 ARG 44 6.916 -10.816 2.376 301 2HG ARG 44 HG1 ARG 44 8.309 -9.737 2.469 302 1HD ARG 44 HD2 ARG 44 8.250 -11.557 4.253 303 2HD ARG 44 HD1 ARG 44 8.355 -9.905 4.894 304 HE ARG 44 HE ARG 44 5.657 -11.106 4.521 305 1HH1 ARG 44 HH21 ARG 44 7.993 -11.425 6.829 306 2HH1 ARG 44 HH22 ARG 44 7.111 -10.674 8.116 307 1HH2 ARG 44 HH11 ARG 44 4.591 -9.486 6.054 308 2HH2 ARG 44 HH12 ARG 44 5.186 -9.577 7.677 309 H THR 45 HN THR 45 6.452 -9.501 0.504 310 HA THR 45 HA THR 45 4.953 -7.616 -1.283 311 HB THR 45 HB THR 45 6.202 -10.290 -1.966 312 HG1 THR 45 HG1 THR 45 8.052 -9.249 -2.372 313 1HG2 THR 45 HG21 THR 45 5.238 -7.896 -3.535 314 2HG2 THR 45 HG22 THR 45 4.693 -9.569 -3.661 315 3HG2 THR 45 HG23 THR 45 6.298 -9.117 -4.238 316 H CYS 46 HN CYS 46 2.761 -7.915 -1.143 317 HA CYS 46 HA CYS 46 1.477 -10.088 0.133 318 1HB CYS 46 HB2 CYS 46 0.818 -7.720 -1.466 319 2HB CYS 46 HB1 CYS 46 -0.364 -9.020 -1.628 320 H GLN 47 HN GLN 47 0.446 -11.944 -0.721 321 HA GLN 47 HA GLN 47 1.557 -12.953 -3.261 322 1HB GLN 47 HB2 GLN 47 1.592 -14.423 -1.375 323 2HB GLN 47 HB1 GLN 47 -0.090 -14.083 -0.989 324 1HG GLN 47 HG2 GLN 47 0.051 -16.259 -2.075 325 2HG GLN 47 HG1 GLN 47 -0.748 -15.124 -3.164 326 1HE2 GLN 47 HE21 GLN 47 2.401 -16.704 -2.524 327 2HE2 GLN 47 HE22 GLN 47 2.995 -16.516 -4.103 328 H SER 48 HN SER 48 0.173 -13.734 -4.992 329 HA SER 48 HA SER 48 -1.987 -12.212 -5.858 330 1HB SER 48 HB2 SER 48 -0.802 -14.830 -6.372 331 2HB SER 48 HB1 SER 48 -2.537 -14.830 -6.671 332 HG SER 48 HG SER 48 -1.519 -14.138 -8.526 333 H TRP 49 HN TRP 49 -4.263 -12.301 -5.461 334 HA TRP 49 HA TRP 49 -5.116 -13.262 -2.893 335 1HB TRP 49 HB2 TRP 49 -6.613 -12.519 -5.430 336 2HB TRP 49 HB1 TRP 49 -7.378 -12.737 -3.856 337 HD1 TRP 49 HD1 TRP 49 -5.070 -10.378 -5.768 338 HE1 TRP 49 HE1 TRP 49 -4.889 -8.178 -4.462 339 HE3 TRP 49 HE3 TRP 49 -7.469 -11.665 -1.499 340 HZ2 TRP 49 HZ2 TRP 49 -5.632 -7.096 -1.946 341 HZ3 TRP 49 HZ3 TRP 49 -7.729 -10.048 0.363 342 HH2 TRP 49 HH2 TRP 49 -6.809 -7.753 0.143 343 H SER 50 HN SER 50 -5.326 -14.540 -6.182 344 HA SER 50 HA SER 50 -6.773 -16.963 -5.437 345 1HB SER 50 HB2 SER 50 -6.802 -15.682 -7.629 346 2HB SER 50 HB1 SER 50 -5.181 -16.302 -7.928 347 HG SER 50 HG SER 50 -7.498 -17.495 -8.374 348 H SER 51 HN SER 51 -4.034 -16.407 -4.130 349 HA SER 51 HA SER 51 -2.047 -18.159 -5.187 350 1HB SER 51 HB2 SER 51 -0.934 -17.539 -3.267 351 2HB SER 51 HB1 SER 51 -2.223 -16.344 -3.186 352 HG SER 51 HG SER 51 -1.757 -18.581 -1.645 353 H MET 52 HN MET 52 -1.849 -20.374 -5.060 354 HA MET 52 HA MET 52 -3.801 -21.849 -3.314 355 1HB MET 52 HB2 MET 52 -2.830 -22.830 -5.996 356 2HB MET 52 HB1 MET 52 -4.292 -23.276 -5.128 357 1HG MET 52 HG2 MET 52 -4.434 -20.482 -5.559 358 2HG MET 52 HG1 MET 52 -3.949 -21.209 -7.087 359 1HE MET 52 HE1 MET 52 -6.620 -20.079 -4.997 360 2HE MET 52 HE2 MET 52 -6.249 -21.515 -4.044 361 3HE MET 52 HE3 MET 52 -7.820 -21.368 -4.828 362 H THR 53 HN THR 53 -0.551 -21.292 -4.105 363 HA THR 53 HA THR 53 0.415 -24.020 -3.561 364 HB THR 53 HB THR 53 2.549 -22.220 -3.492 365 HG1 THR 53 HG1 THR 53 2.091 -20.699 -4.998 366 1HG2 THR 53 HG21 THR 53 3.153 -23.663 -5.099 367 2HG2 THR 53 HG22 THR 53 1.968 -22.956 -6.197 368 3HG2 THR 53 HG23 THR 53 1.505 -24.290 -5.141 369 HA PRO 54 HA PRO 54 2.115 -22.005 0.394 370 1HB PRO 54 HB2 PRO 54 1.614 -19.356 0.865 371 2HB PRO 54 HB1 PRO 54 3.026 -19.925 -0.047 372 1HG PRO 54 HG2 PRO 54 0.462 -18.793 -1.042 373 2HG PRO 54 HG1 PRO 54 2.109 -18.558 -1.645 374 1HD PRO 54 HD2 PRO 54 0.296 -20.232 -2.816 375 2HD PRO 54 HD1 PRO 54 2.056 -20.459 -2.913 376 H HIS 55 HN HIS 55 -0.277 -19.450 0.546 377 HA HIS 55 HA HIS 55 -1.930 -21.176 2.350 378 1HB HIS 55 HB2 HIS 55 -2.488 -18.277 2.196 379 2HB HIS 55 HB1 HIS 55 -2.228 -19.291 3.612 380 HD1 HIS 55 HD1 HIS 55 -0.307 -17.415 0.944 381 HD2 HIS 55 HD2 HIS 55 0.379 -19.185 4.655 382 HE1 HIS 55 HE1 HIS 55 2.052 -16.801 1.600 383 H TRP 56 HN TRP 56 -3.052 -22.201 0.510 384 HA TRP 56 HA TRP 56 -4.358 -20.931 -1.614 385 1HB TRP 56 HB2 TRP 56 -4.150 -23.387 -1.152 386 2HB TRP 56 HB1 TRP 56 -5.396 -23.220 0.084 387 HD1 TRP 56 HD1 TRP 56 -7.547 -21.544 -1.205 388 HE1 TRP 56 HE1 TRP 56 -8.851 -22.282 -3.266 389 HE3 TRP 56 HE3 TRP 56 -4.269 -24.913 -3.100 390 HZ2 TRP 56 HZ2 TRP 56 -8.554 -24.070 -5.458 391 HZ3 TRP 56 HZ3 TRP 56 -4.798 -26.103 -5.199 392 HH2 TRP 56 HH2 TRP 56 -6.930 -25.704 -6.382 393 H HIS 57 HN HIS 57 -6.164 -19.620 -1.774 394 HA HIS 57 HA HIS 57 -7.845 -19.295 0.681 395 1HB HIS 57 HB2 HIS 57 -7.312 -17.085 0.732 396 2HB HIS 57 HB1 HIS 57 -6.019 -17.483 -0.391 397 HD1 HIS 57 HD1 HIS 57 -7.527 -17.884 -2.995 398 HD2 HIS 57 HD2 HIS 57 -8.427 -14.794 -0.345 399 HE1 HIS 57 HE1 HIS 57 -8.726 -16.108 -4.346 400 H GLN 58 HN GLN 58 -9.990 -18.152 0.051 401 HA GLN 58 HA GLN 58 -10.935 -19.187 -2.605 402 1HB GLN 58 HB2 GLN 58 -11.776 -19.654 0.152 403 2HB GLN 58 HB1 GLN 58 -13.109 -19.065 -0.842 404 1HG GLN 58 HG2 GLN 58 -11.468 -21.084 -2.198 405 2HG GLN 58 HG1 GLN 58 -12.242 -21.689 -0.733 406 1HE2 GLN 58 HE21 GLN 58 -12.817 -20.635 -4.017 407 2HE2 GLN 58 HE22 GLN 58 -14.496 -20.891 -4.015 408 H ARG 59 HN ARG 59 -13.532 -18.027 -2.355 409 HA ARG 59 HA ARG 59 -14.541 -15.986 -3.038 410 1HB ARG 59 HB2 ARG 59 -13.282 -15.845 -0.396 411 2HB ARG 59 HB1 ARG 59 -13.516 -14.253 -1.119 412 1HG ARG 59 HG2 ARG 59 -15.793 -14.395 -1.023 413 2HG ARG 59 HG1 ARG 59 -15.800 -16.122 -1.384 414 1HD ARG 59 HD2 ARG 59 -16.525 -15.985 0.886 415 2HD ARG 59 HD1 ARG 59 -14.806 -16.413 1.005 416 HE ARG 59 HE ARG 59 -14.312 -14.135 1.627 417 1HH1 ARG 59 HH21 ARG 59 -17.373 -14.166 0.169 418 2HH1 ARG 59 HH22 ARG 59 -18.047 -12.939 1.187 419 1HH2 ARG 59 HH11 ARG 59 -15.286 -12.782 3.279 420 2HH2 ARG 59 HH12 ARG 59 -16.866 -12.155 2.948 421 H THR 60 HN THR 60 -11.992 -16.550 -4.380 422 HA THR 60 HA THR 60 -10.047 -14.587 -4.520 423 HB THR 60 HB THR 60 -9.984 -16.433 -6.025 424 HG1 THR 60 HG1 THR 60 -9.123 -14.836 -7.160 425 1HG2 THR 60 HG21 THR 60 -12.171 -17.171 -6.293 426 2HG2 THR 60 HG22 THR 60 -11.873 -16.441 -7.871 427 3HG2 THR 60 HG23 THR 60 -12.775 -15.552 -6.644 428 H THR 61 HN THR 61 -9.877 -12.825 -6.242 429 HA THR 61 HA THR 61 -11.893 -10.815 -5.855 430 HB THR 61 HB THR 61 -9.425 -10.575 -6.491 431 HG1 THR 61 HG1 THR 61 -11.424 -9.302 -8.046 432 1HG2 THR 61 HG21 THR 61 -10.341 -10.916 -9.325 433 2HG2 THR 61 HG22 THR 61 -9.851 -12.334 -8.398 434 3HG2 THR 61 HG23 THR 61 -8.710 -11.015 -8.661 435 H GLU 62 HN GLU 62 -11.708 -13.609 -7.857 436 HA GLU 62 HA GLU 62 -13.252 -12.711 -10.097 437 1HB GLU 62 HB2 GLU 62 -11.804 -14.842 -9.733 438 2HB GLU 62 HB1 GLU 62 -13.232 -15.499 -8.931 439 1HG GLU 62 HG2 GLU 62 -13.799 -16.167 -11.037 440 2HG GLU 62 HG1 GLU 62 -14.353 -14.501 -11.203 441 H TYR 63 HN TYR 63 -13.921 -13.897 -6.885 442 HA TYR 63 HA TYR 63 -16.780 -14.199 -7.247 443 1HB TYR 63 HB2 TYR 63 -14.726 -14.575 -5.238 444 2HB TYR 63 HB1 TYR 63 -16.121 -13.762 -4.530 445 HD1 TYR 63 HD1 TYR 63 -16.194 -16.120 -7.402 446 HD2 TYR 63 HD2 TYR 63 -17.034 -15.552 -3.228 447 HE1 TYR 63 HE1 TYR 63 -17.425 -18.274 -7.356 448 HE2 TYR 63 HE2 TYR 63 -18.265 -17.704 -3.183 449 HH TYR 63 HH TYR 63 -18.707 -19.592 -4.323 450 H TYR 64 HN TYR 64 -14.643 -11.555 -6.957 451 HA TYR 64 HA TYR 64 -16.843 -9.749 -6.006 452 1HB TYR 64 HB2 TYR 64 -13.821 -9.654 -5.884 453 2HB TYR 64 HB1 TYR 64 -14.818 -8.239 -5.538 454 HD1 TYR 64 HD1 TYR 64 -14.707 -11.891 -4.662 455 HD2 TYR 64 HD2 TYR 64 -15.401 -7.872 -3.317 456 HE1 TYR 64 HE1 TYR 64 -15.104 -12.730 -2.362 457 HE2 TYR 64 HE2 TYR 64 -15.798 -8.710 -1.017 458 HH TYR 64 HH TYR 64 -14.915 -11.718 0.021 459 HA PRO 65 HA PRO 65 -16.810 -8.259 -10.158 460 1HB PRO 65 HB2 PRO 65 -18.350 -6.027 -9.745 461 2HB PRO 65 HB1 PRO 65 -19.026 -7.666 -9.825 462 1HG PRO 65 HG2 PRO 65 -18.404 -5.992 -7.442 463 2HG PRO 65 HG1 PRO 65 -19.777 -7.071 -7.737 464 1HD PRO 65 HD2 PRO 65 -17.646 -7.757 -6.186 465 2HD PRO 65 HD1 PRO 65 -18.618 -8.940 -7.089 466 H ASN 66 HN ASN 66 -15.490 -6.730 -7.410 467 HA ASN 66 HA ASN 66 -14.638 -4.205 -8.421 468 1HB ASN 66 HB2 ASN 66 -14.571 -5.168 -6.054 469 2HB ASN 66 HB1 ASN 66 -13.128 -6.051 -6.549 470 1HD2 ASN 66 HD21 ASN 66 -12.869 -3.315 -8.354 471 2HD2 ASN 66 HD22 ASN 66 -12.012 -2.326 -7.276 472 H GLY 67 HN GLY 67 -13.170 -7.444 -8.614 473 1HA GLY 67 HA2 GLY 67 -11.294 -8.200 -9.820 474 2HA GLY 67 HA1 GLY 67 -11.979 -7.211 -11.109 475 H GLY 68 HN GLY 68 -10.963 -5.667 -8.156 476 1HA GLY 68 HA2 GLY 68 -8.883 -4.219 -9.672 477 2HA GLY 68 HA1 GLY 68 -9.458 -3.808 -8.053 478 H LEU 69 HN LEU 69 -9.126 -6.993 -7.813 479 HA LEU 69 HA LEU 69 -6.600 -6.856 -6.366 480 1HB LEU 69 HB2 LEU 69 -8.498 -9.084 -7.143 481 2HB LEU 69 HB1 LEU 69 -7.175 -9.267 -5.999 482 HG LEU 69 HG LEU 69 -9.620 -7.516 -5.735 483 1HD1 LEU 69 HD11 LEU 69 -9.524 -8.790 -3.444 484 2HD1 LEU 69 HD12 LEU 69 -8.468 -9.903 -4.313 485 3HD1 LEU 69 HD13 LEU 69 -10.119 -9.638 -4.872 486 1HD2 LEU 69 HD21 LEU 69 -7.863 -6.108 -4.983 487 2HD2 LEU 69 HD22 LEU 69 -6.986 -7.455 -4.258 488 3HD2 LEU 69 HD23 LEU 69 -8.476 -6.870 -3.516 489 H THR 70 HN THR 70 -5.976 -6.157 -8.946 490 HA THR 70 HA THR 70 -5.390 -8.100 -10.868 491 HB THR 70 HB THR 70 -3.237 -6.149 -10.329 492 HG1 THR 70 HG1 THR 70 -5.009 -4.544 -11.069 493 1HG2 THR 70 HG21 THR 70 -3.565 -5.627 -12.636 494 2HG2 THR 70 HG22 THR 70 -5.178 -6.339 -12.638 495 3HG2 THR 70 HG23 THR 70 -3.757 -7.374 -12.500 496 H ARG 71 HN ARG 71 -4.421 -10.056 -10.491 497 HA ARG 71 HA ARG 71 -2.949 -11.666 -9.577 498 1HB ARG 71 HB2 ARG 71 -1.259 -9.206 -10.108 499 2HB ARG 71 HB1 ARG 71 -0.561 -10.779 -9.717 500 1HG ARG 71 HG2 ARG 71 -0.872 -11.512 -11.820 501 2HG ARG 71 HG1 ARG 71 -2.577 -11.061 -11.773 502 1HD ARG 71 HD2 ARG 71 -2.180 -8.942 -12.680 503 2HD ARG 71 HD1 ARG 71 -0.492 -8.916 -12.131 504 HE ARG 71 HE ARG 71 -1.513 -10.521 -14.432 505 1HH1 ARG 71 HH11 ARG 71 0.704 -8.218 -13.845 506 2HH1 ARG 71 HH12 ARG 71 2.101 -9.113 -14.342 507 1HH2 ARG 71 HH21 ARG 71 0.433 -12.149 -14.489 508 2HH2 ARG 71 HH22 ARG 71 1.947 -11.337 -14.708 509 H ASN 72 HN ASN 72 -0.555 -10.004 -8.046 510 HA ASN 72 HA ASN 72 -1.697 -10.561 -5.375 511 1HB ASN 72 HB2 ASN 72 0.598 -10.431 -4.691 512 2HB ASN 72 HB1 ASN 72 0.606 -11.239 -6.260 513 1HD2 ASN 72 HD21 ASN 72 0.867 -7.940 -4.862 514 2HD2 ASN 72 HD22 ASN 72 1.954 -7.359 -6.030 515 H TYR 73 HN TYR 73 -2.499 -8.159 -7.120 516 HA TYR 73 HA TYR 73 -1.418 -5.732 -6.070 517 1HB TYR 73 HB2 TYR 73 -3.912 -6.665 -7.435 518 2HB TYR 73 HB1 TYR 73 -3.939 -5.058 -6.709 519 HD1 TYR 73 HD1 TYR 73 -3.867 -3.642 -8.616 520 HD2 TYR 73 HD2 TYR 73 -1.012 -6.824 -8.193 521 HE1 TYR 73 HE1 TYR 73 -2.588 -2.750 -10.544 522 HE2 TYR 73 HE2 TYR 73 0.267 -5.930 -10.122 523 HH TYR 73 HH TYR 73 -0.765 -4.125 -12.334 524 H CYS 74 HN CYS 74 -1.909 -4.552 -4.269 525 HA CYS 74 HA CYS 74 -3.274 -5.868 -2.035 526 1HB CYS 74 HB2 CYS 74 -1.315 -4.679 -1.476 527 2HB CYS 74 HB1 CYS 74 -1.719 -3.333 -2.539 528 H ARG 75 HN ARG 75 -5.298 -5.283 -1.231 529 HA ARG 75 HA ARG 75 -6.667 -2.850 -2.168 530 1HB ARG 75 HB2 ARG 75 -6.780 -5.292 -3.588 531 2HB ARG 75 HB1 ARG 75 -8.342 -5.122 -2.787 532 1HG ARG 75 HG2 ARG 75 -8.675 -3.965 -4.800 533 2HG ARG 75 HG1 ARG 75 -8.242 -2.668 -3.686 534 1HD ARG 75 HD2 ARG 75 -6.192 -2.317 -4.682 535 2HD ARG 75 HD1 ARG 75 -5.997 -4.028 -5.112 536 HE ARG 75 HE ARG 75 -8.125 -3.329 -6.660 537 1HH1 ARG 75 HH21 ARG 75 -6.110 -0.811 -5.890 538 2HH1 ARG 75 HH22 ARG 75 -5.561 -0.499 -7.503 539 1HH2 ARG 75 HH11 ARG 75 -6.980 -3.372 -8.827 540 2HH2 ARG 75 HH12 ARG 75 -6.054 -1.948 -9.166 541 H ASN 76 HN ASN 76 -9.309 -4.060 -1.589 542 HA ASN 76 HA ASN 76 -9.127 -5.053 1.182 543 1HB ASN 76 HB2 ASN 76 -8.859 -2.463 1.036 544 2HB ASN 76 HB1 ASN 76 -10.586 -2.463 0.672 545 1HD2 ASN 76 HD21 ASN 76 -9.670 -1.278 3.078 546 2HD2 ASN 76 HD22 ASN 76 -10.171 -2.231 4.391 547 HA PRO 77 HA PRO 77 -12.812 -6.505 -1.137 548 1HB PRO 77 HB2 PRO 77 -12.649 -9.080 -0.222 549 2HB PRO 77 HB1 PRO 77 -11.749 -8.500 -1.638 550 1HG PRO 77 HG2 PRO 77 -10.813 -8.929 1.153 551 2HG PRO 77 HG1 PRO 77 -9.979 -9.235 -0.378 552 1HD PRO 77 HD2 PRO 77 -9.495 -7.058 1.198 553 2HD PRO 77 HD1 PRO 77 -9.248 -7.076 -0.562 554 H ASP 78 HN ASP 78 -11.861 -6.241 2.131 555 HA ASP 78 HA ASP 78 -14.621 -6.921 3.088 556 1HB ASP 78 HB2 ASP 78 -12.104 -7.780 3.893 557 2HB ASP 78 HB1 ASP 78 -12.502 -6.536 5.079 558 H ALA 79 HN ALA 79 -12.218 -4.416 2.782 559 HA ALA 79 HA ALA 79 -12.414 -2.087 3.144 560 1HB ALA 79 HB1 ALA 79 -14.533 -1.379 2.761 561 2HB ALA 79 HB2 ALA 79 -15.136 -2.175 4.215 562 3HB ALA 79 HB3 ALA 79 -14.977 -3.085 2.712 563 H GLU 80 HN GLU 80 -11.238 -3.600 5.179 564 HA GLU 80 HA GLU 80 -12.491 -2.963 7.765 565 1HB GLU 80 HB2 GLU 80 -9.637 -3.834 7.367 566 2HB GLU 80 HB1 GLU 80 -10.766 -4.296 8.638 567 1HG GLU 80 HG2 GLU 80 -12.006 -5.189 6.318 568 2HG GLU 80 HG1 GLU 80 -10.300 -5.533 6.034 569 H ILE 81 HN ILE 81 -9.973 -2.300 9.083 570 HA ILE 81 HA ILE 81 -10.014 0.511 9.096 571 HB ILE 81 HB ILE 81 -7.656 0.169 10.028 572 1HG1 ILE 81 HG12 ILE 81 -7.789 -2.634 10.381 573 2HG1 ILE 81 HG11 ILE 81 -8.050 -2.342 8.662 574 1HG2 ILE 81 HG21 ILE 81 -9.643 -1.769 11.208 575 2HG2 ILE 81 HG22 ILE 81 -9.912 -0.028 11.285 576 3HG2 ILE 81 HG23 ILE 81 -8.489 -0.735 12.049 577 1HD1 ILE 81 HD11 ILE 81 -5.843 -1.987 8.418 578 2HD1 ILE 81 HD12 ILE 81 -5.597 -2.170 10.154 579 3HD1 ILE 81 HD13 ILE 81 -5.978 -0.586 9.480 580 H SER 82 HN SER 82 -8.363 -1.715 6.947 581 HA SER 82 HA SER 82 -7.860 0.373 4.976 582 1HB SER 82 HB2 SER 82 -5.282 -0.784 5.678 583 2HB SER 82 HB1 SER 82 -5.734 0.912 5.537 584 HG SER 82 HG SER 82 -5.735 0.959 7.627 585 HA PRO 83 HA PRO 83 -7.489 -3.110 2.331 586 1HB PRO 83 HB2 PRO 83 -5.418 -2.505 0.652 587 2HB PRO 83 HB1 PRO 83 -6.987 -1.678 0.586 588 1HG PRO 83 HG2 PRO 83 -4.416 -0.769 1.759 589 2HG PRO 83 HG1 PRO 83 -5.673 0.161 0.929 590 1HD PRO 83 HD2 PRO 83 -5.328 0.092 3.659 591 2HD PRO 83 HD1 PRO 83 -6.852 0.506 2.845 592 H TRP 84 HN TRP 84 -6.272 -5.070 1.888 593 HA TRP 84 HA TRP 84 -3.556 -5.355 3.016 594 1HB TRP 84 HB2 TRP 84 -4.329 -7.155 4.563 595 2HB TRP 84 HB1 TRP 84 -5.039 -5.591 4.958 596 HD1 TRP 84 HD1 TRP 84 -7.612 -5.237 4.492 597 HE1 TRP 84 HE1 TRP 84 -9.540 -6.889 4.046 598 HE3 TRP 84 HE3 TRP 84 -4.933 -9.457 3.437 599 HZ2 TRP 84 HZ2 TRP 84 -9.900 -9.636 3.336 600 HZ3 TRP 84 HZ3 TRP 84 -6.094 -11.575 2.881 601 HH2 TRP 84 HH2 TRP 84 -8.570 -11.670 2.829 602 H CYS 85 HN CYS 85 -3.344 -8.107 3.004 603 HA CYS 85 HA CYS 85 -4.653 -9.540 0.943 604 1HB CYS 85 HB2 CYS 85 -2.708 -9.202 -0.798 605 2HB CYS 85 HB1 CYS 85 -3.995 -8.004 -0.695 606 H TYR 86 HN TYR 86 -3.663 -11.588 0.549 607 HA TYR 86 HA TYR 86 -2.192 -12.784 2.607 608 1HB TYR 86 HB2 TYR 86 -2.397 -13.395 -0.354 609 2HB TYR 86 HB1 TYR 86 -1.747 -14.527 0.833 610 HD1 TYR 86 HD1 TYR 86 -3.184 -15.563 2.516 611 HD2 TYR 86 HD2 TYR 86 -4.776 -12.807 -0.368 612 HE1 TYR 86 HE1 TYR 86 -5.484 -16.277 3.105 613 HE2 TYR 86 HE2 TYR 86 -7.076 -13.521 0.221 614 HH TYR 86 HH TYR 86 -7.645 -16.138 2.563 615 H THR 87 HN THR 87 0.076 -13.838 2.220 616 HA THR 87 HA THR 87 1.949 -11.710 1.228 617 HB THR 87 HB THR 87 3.382 -13.353 2.889 618 HG1 THR 87 HG1 THR 87 1.857 -14.572 3.707 619 1HG2 THR 87 HG21 THR 87 3.355 -11.571 4.404 620 2HG2 THR 87 HG22 THR 87 1.677 -11.165 4.042 621 3HG2 THR 87 HG23 THR 87 2.947 -10.793 2.876 622 H MET 88 HN MET 88 3.569 -12.330 -0.217 623 HA MET 88 HA MET 88 3.312 -14.761 -1.732 624 1HB MET 88 HB2 MET 88 4.654 -12.292 -1.828 625 2HB MET 88 HB1 MET 88 5.926 -13.514 -1.845 626 1HG MET 88 HG2 MET 88 3.749 -14.336 -3.553 627 2HG MET 88 HG1 MET 88 4.293 -12.721 -4.008 628 1HE MET 88 HE1 MET 88 5.746 -15.842 -6.140 629 2HE MET 88 HE2 MET 88 5.167 -14.222 -6.520 630 3HE MET 88 HE3 MET 88 4.191 -15.284 -5.507 631 H ASP 89 HN ASP 89 4.501 -14.367 1.397 632 HA ASP 89 HA ASP 89 6.476 -16.580 1.082 633 1HB ASP 89 HB2 ASP 89 6.059 -14.522 3.276 634 2HB ASP 89 HB1 ASP 89 7.378 -15.690 3.201 635 HA PRO 90 HA PRO 90 3.570 -19.145 3.171 636 1HB PRO 90 HB2 PRO 90 5.315 -21.111 3.951 637 2HB PRO 90 HB1 PRO 90 4.742 -20.931 2.281 638 1HG PRO 90 HG2 PRO 90 7.321 -20.068 3.497 639 2HG PRO 90 HG1 PRO 90 7.005 -20.777 1.905 640 1HD PRO 90 HD2 PRO 90 7.426 -18.114 2.290 641 2HD PRO 90 HD1 PRO 90 6.415 -18.758 0.977 642 H ASN 91 HN ASN 91 5.970 -17.324 4.629 643 HA ASN 91 HA ASN 91 5.642 -18.395 7.360 644 1HB ASN 91 HB2 ASN 91 7.586 -17.010 5.935 645 2HB ASN 91 HB1 ASN 91 6.902 -15.770 6.987 646 1HD2 ASN 91 HD21 ASN 91 8.471 -18.980 7.017 647 2HD2 ASN 91 HD22 ASN 91 8.970 -18.902 8.637 648 H VAL 92 HN VAL 92 4.067 -16.191 5.264 649 HA VAL 92 HA VAL 92 2.626 -14.953 7.588 650 HB VAL 92 HB VAL 92 3.381 -13.770 4.888 651 1HG1 VAL 92 HG11 VAL 92 2.738 -11.625 6.238 652 2HG1 VAL 92 HG12 VAL 92 1.864 -12.742 7.287 653 3HG1 VAL 92 HG13 VAL 92 1.440 -12.621 5.581 654 1HG2 VAL 92 HG21 VAL 92 5.387 -13.382 5.843 655 2HG2 VAL 92 HG22 VAL 92 4.838 -14.047 7.381 656 3HG2 VAL 92 HG23 VAL 92 4.570 -12.344 7.012 657 H ARG 93 HN ARG 93 0.377 -15.173 7.442 658 HA ARG 93 HA ARG 93 -0.697 -16.571 5.105 659 1HB ARG 93 HB2 ARG 93 -2.725 -16.729 6.551 660 2HB ARG 93 HB1 ARG 93 -1.278 -17.327 7.361 661 1HG ARG 93 HG2 ARG 93 -1.080 -15.365 8.686 662 2HG ARG 93 HG1 ARG 93 -2.219 -14.475 7.678 663 1HD ARG 93 HD2 ARG 93 -3.548 -15.073 9.529 664 2HD ARG 93 HD1 ARG 93 -3.904 -16.374 8.375 665 HE ARG 93 HE ARG 93 -1.726 -16.680 10.404 666 1HH1 ARG 93 HH11 ARG 93 -4.962 -17.391 9.876 667 2HH1 ARG 93 HH12 ARG 93 -4.810 -19.099 10.124 668 1HH2 ARG 93 HH21 ARG 93 -1.344 -19.040 10.246 669 2HH2 ARG 93 HH22 ARG 93 -2.760 -20.032 10.333 670 H TRP 94 HN TRP 94 -0.979 -13.469 6.765 671 HA TRP 94 HA TRP 94 -1.922 -12.168 4.320 672 1HB TRP 94 HB2 TRP 94 -4.125 -11.696 5.045 673 2HB TRP 94 HB1 TRP 94 -3.889 -13.373 5.531 674 HD1 TRP 94 HD1 TRP 94 -3.964 -13.926 8.056 675 HE1 TRP 94 HE1 TRP 94 -4.366 -12.538 10.189 676 HE3 TRP 94 HE3 TRP 94 -3.700 -9.223 6.098 677 HZ2 TRP 94 HZ2 TRP 94 -4.554 -9.784 10.961 678 HZ3 TRP 94 HZ3 TRP 94 -3.994 -7.236 7.548 679 HH2 TRP 94 HH2 TRP 94 -4.421 -7.510 9.976 680 H GLU 95 HN GLU 95 -1.858 -9.814 4.564 681 HA GLU 95 HA GLU 95 -1.019 -8.718 7.178 682 1HB GLU 95 HB2 GLU 95 0.850 -9.714 5.330 683 2HB GLU 95 HB1 GLU 95 0.911 -7.961 5.143 684 1HG GLU 95 HG2 GLU 95 0.999 -9.309 7.849 685 2HG GLU 95 HG1 GLU 95 2.455 -8.937 6.925 686 H TYR 96 HN TYR 96 -1.369 -6.473 7.280 687 HA TYR 96 HA TYR 96 -3.106 -5.306 5.281 688 1HB TYR 96 HB2 TYR 96 -1.781 -4.542 7.847 689 2HB TYR 96 HB1 TYR 96 -2.351 -3.227 6.819 690 HD1 TYR 96 HD1 TYR 96 -4.783 -3.525 5.840 691 HD2 TYR 96 HD2 TYR 96 -3.288 -5.569 9.310 692 HE1 TYR 96 HE1 TYR 96 -7.108 -3.940 6.597 693 HE2 TYR 96 HE2 TYR 96 -5.613 -5.984 10.067 694 HH TYR 96 HH TYR 96 -8.350 -5.352 8.022 695 H CYS 97 HN CYS 97 -2.508 -3.148 4.228 696 HA CYS 97 HA CYS 97 0.178 -3.423 2.994 697 1HB CYS 97 HB2 CYS 97 -2.332 -1.848 2.377 698 2HB CYS 97 HB1 CYS 97 -0.855 -1.722 1.419 699 H ASN 98 HN ASN 98 1.667 -1.696 2.960 700 HA ASN 98 HA ASN 98 1.950 -0.103 5.298 701 1HB ASN 98 HB2 ASN 98 3.086 -0.161 2.522 702 2HB ASN 98 HB1 ASN 98 3.526 1.164 3.601 703 1HD2 ASN 98 HD21 ASN 98 4.794 -1.650 2.595 704 2HD2 ASN 98 HD22 ASN 98 5.550 -2.190 4.016 705 H LEU 99 HN LEU 99 -0.467 0.791 5.169 706 HA LEU 99 HA LEU 99 -0.225 3.528 4.101 707 1HB LEU 99 HB2 LEU 99 -2.680 2.928 3.082 708 2HB LEU 99 HB1 LEU 99 -1.192 2.863 2.146 709 HG LEU 99 HG LEU 99 -0.990 0.426 2.851 710 1HD1 LEU 99 HD11 LEU 99 -3.274 -0.567 3.485 711 2HD1 LEU 99 HD12 LEU 99 -3.746 1.081 3.903 712 3HD1 LEU 99 HD13 LEU 99 -2.411 0.303 4.753 713 1HD2 LEU 99 HD21 LEU 99 -3.448 1.246 1.271 714 2HD2 LEU 99 HD22 LEU 99 -2.659 -0.330 1.193 715 3HD2 LEU 99 HD23 LEU 99 -1.813 1.109 0.625 716 H THR 100 HN THR 100 -1.318 4.960 5.324 717 HA THR 100 HA THR 100 -3.121 3.918 7.469 718 HB THR 100 HB THR 100 -2.483 6.099 8.551 719 HG1 THR 100 HG1 THR 100 -1.501 7.520 7.384 720 1HG2 THR 100 HG21 THR 100 -1.070 4.530 9.418 721 2HG2 THR 100 HG22 THR 100 0.137 5.398 8.468 722 3HG2 THR 100 HG23 THR 100 -0.600 3.929 7.828 723 H GLN 101 HN GLN 101 -5.030 5.342 7.943 724 HA GLN 101 HA GLN 101 -6.679 5.899 5.769 725 1HB GLN 101 HB2 GLN 101 -6.820 6.079 8.483 726 2HB GLN 101 HB1 GLN 101 -6.823 7.790 8.055 727 1HG GLN 101 HG2 GLN 101 -8.642 7.177 6.336 728 2HG GLN 101 HG1 GLN 101 -8.778 5.649 7.209 729 1HE2 GLN 101 HE21 GLN 101 -9.971 5.656 9.154 730 2HE2 GLN 101 HE22 GLN 101 -10.597 7.057 9.878 731 H CYS 102 HN CYS 102 -5.704 6.999 4.031 732 HA CYS 102 HA CYS 102 -3.968 9.213 4.137 733 1HB CYS 102 HB2 CYS 102 -5.190 7.651 2.233 734 2HB CYS 102 HB1 CYS 102 -5.957 9.215 1.959 735 HA PRO 103 HA PRO 103 -7.779 12.074 4.028 736 1HB PRO 103 HB2 PRO 103 -10.250 10.976 4.424 737 2HB PRO 103 HB1 PRO 103 -9.503 11.113 2.820 738 1HG PRO 103 HG2 PRO 103 -9.789 8.746 4.575 739 2HG PRO 103 HG1 PRO 103 -9.786 8.853 2.810 740 1HD PRO 103 HD2 PRO 103 -7.654 8.018 4.376 741 2HD PRO 103 HD1 PRO 103 -7.541 8.567 2.691 742 H VAL 104 HN VAL 104 -7.183 12.926 6.038 743 HA VAL 104 HA VAL 104 -7.866 11.474 8.523 744 HB VAL 104 HB VAL 104 -6.407 14.056 7.888 745 1HG1 VAL 104 HG11 VAL 104 -6.326 14.534 10.094 746 2HG1 VAL 104 HG12 VAL 104 -5.916 12.868 10.504 747 3HG1 VAL 104 HG13 VAL 104 -7.604 13.338 10.308 748 1HG2 VAL 104 HG21 VAL 104 -5.180 11.587 9.073 749 2HG2 VAL 104 HG22 VAL 104 -4.437 12.824 8.061 750 3HG2 VAL 104 HG23 VAL 104 -5.509 11.624 7.341 751 H THR 105 HN THR 105 -8.092 14.975 7.937 752 HA THR 105 HA THR 105 -10.809 14.920 9.183 753 HB THR 105 HB THR 105 -8.875 17.218 8.751 754 HG1 THR 105 HG1 THR 105 -8.886 16.597 11.244 755 1HG2 THR 105 HG21 THR 105 -10.947 18.181 9.221 756 2HG2 THR 105 HG22 THR 105 -10.263 18.001 10.837 757 3HG2 THR 105 HG23 THR 105 -11.451 16.838 10.247 758 H GLU 106 HN GLU 106 -12.181 16.897 8.319 759 HA GLU 106 HA GLU 106 -13.389 17.798 6.500 760 1HB GLU 106 HB2 GLU 106 -10.519 17.700 5.564 761 2HB GLU 106 HB1 GLU 106 -11.790 18.361 4.535 762 1HG GLU 106 HG2 GLU 106 -11.505 19.293 7.383 763 2HG GLU 106 HG1 GLU 106 -10.497 19.986 6.112 764 H SER 107 HN SER 107 -14.275 17.197 4.374 765 HA SER 107 HA SER 107 -13.589 14.402 3.530 766 1HB SER 107 HB2 SER 107 -15.802 13.792 3.753 767 2HB SER 107 HB1 SER 107 -15.771 15.071 4.964 768 HG SER 107 HG SER 107 -16.291 16.465 3.035 769 H SER 108 HN SER 108 -15.080 14.103 1.330 770 HA SER 108 HA SER 108 -15.323 14.741 -0.934 771 1HB SER 108 HB2 SER 108 -15.870 17.002 0.744 772 2HB SER 108 HB1 SER 108 -15.015 17.569 -0.688 773 HG SER 108 HG SER 108 -16.672 17.027 -1.888 774 H VAL 109 HN VAL 109 -12.696 14.094 0.055 775 HA VAL 109 HA VAL 109 -10.749 16.064 -0.819 776 HB VAL 109 HB VAL 109 -9.199 14.153 -0.458 777 1HG1 VAL 109 HG11 VAL 109 -11.151 15.169 1.452 778 2HG1 VAL 109 HG12 VAL 109 -9.428 14.865 1.672 779 3HG1 VAL 109 HG13 VAL 109 -10.590 13.556 1.893 780 1HG2 VAL 109 HG21 VAL 109 -11.634 12.678 -0.976 781 2HG2 VAL 109 HG22 VAL 109 -10.954 12.199 0.579 782 3HG2 VAL 109 HG23 VAL 109 -9.978 12.080 -0.885 783 H LEU 110 HN LEU 110 -10.693 16.601 -2.984 784 HA LEU 110 HA LEU 110 -10.890 14.371 -4.984 785 1HB LEU 110 HB2 LEU 110 -11.881 17.170 -4.803 786 2HB LEU 110 HB1 LEU 110 -11.340 16.640 -6.396 787 HG LEU 110 HG LEU 110 -12.970 14.621 -5.054 788 1HD1 LEU 110 HD11 LEU 110 -13.835 17.072 -4.370 789 2HD1 LEU 110 HD12 LEU 110 -14.947 15.749 -4.723 790 3HD1 LEU 110 HD13 LEU 110 -14.587 16.954 -5.960 791 1HD2 LEU 110 HD21 LEU 110 -13.752 14.293 -7.206 792 2HD2 LEU 110 HD22 LEU 110 -12.235 15.110 -7.579 793 3HD2 LEU 110 HD23 LEU 110 -13.748 16.016 -7.582 794 H ALA 111 HN ALA 111 -9.140 17.330 -4.074 795 HA ALA 111 HA ALA 111 -6.928 16.483 -5.920 796 1HB ALA 111 HB1 ALA 111 -6.589 19.145 -5.725 797 2HB ALA 111 HB2 ALA 111 -8.324 19.071 -5.415 798 3HB ALA 111 HB3 ALA 111 -7.669 18.427 -6.920 799 H THR 112 HN THR 112 -5.550 15.530 -4.387 800 HA THR 112 HA THR 112 -5.117 16.707 -1.746 801 HB THR 112 HB THR 112 -3.597 14.572 -3.280 802 HG1 THR 112 HG1 THR 112 -5.525 14.037 -1.331 803 1HG2 THR 112 HG21 THR 112 -2.722 13.889 -1.198 804 2HG2 THR 112 HG22 THR 112 -3.915 14.819 -0.292 805 3HG2 THR 112 HG23 THR 112 -2.613 15.648 -1.144 806 H SER 113 HN SER 113 -3.870 18.521 -1.514 807 HA SER 113 HA SER 113 -2.057 19.489 -3.544 808 1HB SER 113 HB2 SER 113 -1.794 21.284 -2.041 809 2HB SER 113 HB1 SER 113 -3.392 20.669 -1.631 810 HG SER 113 HG SER 113 -2.036 20.980 0.209 811 H THR 114 HN THR 114 0.222 20.236 -2.108 812 HA THR 114 HA THR 114 1.455 17.594 -1.390 813 HB THR 114 HB THR 114 3.373 19.455 -2.423 814 HG1 THR 114 HG1 THR 114 1.482 18.955 -4.394 815 1HG2 THR 114 HG21 THR 114 4.030 17.606 -3.576 816 2HG2 THR 114 HG22 THR 114 2.399 17.269 -4.155 817 3HG2 THR 114 HG23 THR 114 2.876 16.779 -2.530 818 H ALA 115 HN ALA 115 3.905 18.481 -0.517 819 HA ALA 115 HA ALA 115 3.227 19.727 2.052 820 1HB ALA 115 HB1 ALA 115 5.758 19.352 2.338 821 2HB ALA 115 HB2 ALA 115 5.711 18.609 0.739 822 3HB ALA 115 HB3 ALA 115 4.775 17.914 2.063 823 H VAL 116 HN VAL 116 3.713 21.830 2.657 824 HA VAL 116 HA VAL 116 5.434 23.496 0.888 825 HB VAL 116 HB VAL 116 2.565 24.106 1.675 826 1HG1 VAL 116 HG11 VAL 116 2.968 26.050 0.051 827 2HG1 VAL 116 HG12 VAL 116 4.687 25.697 0.225 828 3HG1 VAL 116 HG13 VAL 116 3.738 26.178 1.632 829 1HG2 VAL 116 HG21 VAL 116 3.845 23.497 -1.009 830 2HG2 VAL 116 HG22 VAL 116 2.165 23.981 -0.773 831 3HG2 VAL 116 HG23 VAL 116 2.739 22.443 -0.128 832 H SER 117 HN SER 117 6.847 24.504 2.265 833 HA SER 117 HA SER 117 5.956 25.048 5.072 834 1HB SER 117 HB2 SER 117 8.677 25.339 5.011 835 2HB SER 117 HB1 SER 117 7.859 23.815 5.344 836 HG SER 117 HG SER 117 9.002 23.227 3.652 837 H GLU 118 HN GLU 118 5.481 27.171 5.467 838 HA GLU 118 HA GLU 118 5.974 29.315 3.643 839 1HB GLU 118 HB2 GLU 118 4.206 29.494 5.224 840 2HB GLU 118 HB1 GLU 118 5.266 29.088 6.574 841 1HG GLU 118 HG2 GLU 118 6.406 31.198 6.423 842 2HG GLU 118 HG1 GLU 118 5.615 31.581 4.893 843 H GLN 119 HN GLN 119 7.509 28.698 6.830 844 HA GLN 119 HA GLN 119 9.846 30.336 5.923 845 1HB GLN 119 HB2 GLN 119 8.224 30.362 8.204 846 2HB GLN 119 HB1 GLN 119 9.718 29.594 8.743 847 1HG GLN 119 HG2 GLN 119 10.661 31.673 7.201 848 2HG GLN 119 HG1 GLN 119 9.230 32.383 7.952 849 1HE2 GLN 119 HE21 GLN 119 10.876 33.727 9.199 850 2HE2 GLN 119 HE22 GLN 119 11.581 33.049 10.587 Start of MODEL 10 1 1H ALA 1 HT1 ALA 1 37.622 8.564 9.260 2 2H ALA 1 HT2 ALA 1 38.974 9.439 8.719 3 3H ALA 1 HT3 ALA 1 39.185 7.971 9.548 4 HA ALA 1 HA ALA 1 38.085 8.356 6.814 5 1HB ALA 1 HB1 ALA 1 40.185 7.749 6.198 6 2HB ALA 1 HB2 ALA 1 40.232 6.441 7.380 7 3HB ALA 1 HB3 ALA 1 40.642 8.086 7.867 8 H ARG 2 HN ARG 2 38.991 5.825 9.199 9 HA ARG 2 HA ARG 2 36.574 4.284 8.322 10 1HB ARG 2 HB2 ARG 2 39.355 3.720 7.934 11 2HB ARG 2 HB1 ARG 2 38.704 2.527 9.060 12 1HG ARG 2 HG2 ARG 2 36.701 2.488 7.307 13 2HG ARG 2 HG1 ARG 2 37.965 3.045 6.209 14 1HD ARG 2 HD2 ARG 2 38.073 0.534 7.922 15 2HD ARG 2 HD1 ARG 2 37.903 0.598 6.156 16 HE ARG 2 HE ARG 2 40.269 1.859 7.476 17 1HH1 ARG 2 HH21 ARG 2 39.881 -1.207 6.663 18 2HH1 ARG 2 HH22 ARG 2 40.886 -1.228 5.253 19 1HH2 ARG 2 HH11 ARG 2 41.114 2.225 5.043 20 2HH2 ARG 2 HH12 ARG 2 41.585 0.716 4.335 21 H ILE 3 HN ILE 3 35.837 5.429 10.418 22 HA ILE 3 HA ILE 3 36.678 3.799 12.794 23 HB ILE 3 HB ILE 3 35.856 6.713 12.570 24 1HG1 ILE 3 HG12 ILE 3 38.405 6.281 13.794 25 2HG1 ILE 3 HG11 ILE 3 38.366 5.369 12.286 26 1HG2 ILE 3 HG21 ILE 3 35.633 6.790 14.825 27 2HG2 ILE 3 HG22 ILE 3 37.034 5.751 15.083 28 3HG2 ILE 3 HG23 ILE 3 35.461 5.037 14.729 29 1HD1 ILE 3 HD11 ILE 3 37.509 8.266 12.477 30 2HD1 ILE 3 HD12 ILE 3 37.809 7.327 11.015 31 3HD1 ILE 3 HD13 ILE 3 39.152 7.775 12.066 32 H HIS 4 HN HIS 4 34.055 5.365 11.025 33 HA HIS 4 HA HIS 4 32.069 3.479 11.830 34 1HB HIS 4 HB2 HIS 4 32.814 5.371 13.806 35 2HB HIS 4 HB1 HIS 4 31.219 5.857 13.230 36 HD1 HIS 4 HD1 HIS 4 33.009 3.107 15.031 37 HD2 HIS 4 HD2 HIS 4 29.145 3.943 13.709 38 HE1 HIS 4 HE1 HIS 4 31.493 1.400 16.126 39 H HIS 5 HN HIS 5 32.655 6.902 11.035 40 HA HIS 5 HA HIS 5 30.102 7.155 9.598 41 1HB HIS 5 HB2 HIS 5 32.169 8.810 10.719 42 2HB HIS 5 HB1 HIS 5 31.935 9.264 9.031 43 HD1 HIS 5 HD1 HIS 5 30.230 9.246 12.357 44 HD2 HIS 5 HD2 HIS 5 29.315 10.264 8.419 45 HE1 HIS 5 HE1 HIS 5 28.070 10.566 12.442 46 H HIS 6 HN HIS 6 30.499 8.320 7.282 47 HA HIS 6 HA HIS 6 32.693 7.058 5.749 48 1HB HIS 6 HB2 HIS 6 30.095 5.905 6.050 49 2HB HIS 6 HB1 HIS 6 30.243 6.469 4.386 50 HD1 HIS 6 HD1 HIS 6 30.273 3.732 3.988 51 HD2 HIS 6 HD2 HIS 6 33.679 5.441 5.679 52 HE1 HIS 6 HE1 HIS 6 32.141 2.048 3.694 53 H HIS 7 HN HIS 7 33.107 9.427 5.499 54 HA HIS 7 HA HIS 7 31.196 10.779 3.626 55 1HB HIS 7 HB2 HIS 7 32.427 11.532 6.033 56 2HB HIS 7 HB1 HIS 7 33.318 12.403 4.785 57 HD1 HIS 7 HD1 HIS 7 30.841 13.266 6.926 58 HD2 HIS 7 HD2 HIS 7 30.861 13.174 2.758 59 HE1 HIS 7 HE1 HIS 7 29.000 14.830 6.166 60 H HIS 8 HN HIS 8 32.408 9.235 1.992 61 HA HIS 8 HA HIS 8 34.721 10.776 0.892 62 1HB HIS 8 HB2 HIS 8 35.067 8.519 2.330 63 2HB HIS 8 HB1 HIS 8 34.788 7.803 0.742 64 HD1 HIS 8 HD1 HIS 8 36.115 10.320 -0.789 65 HD2 HIS 8 HD2 HIS 8 37.881 8.024 2.210 66 HE1 HIS 8 HE1 HIS 8 38.618 10.598 -1.054 67 H HIS 9 HN HIS 9 35.091 8.630 -1.129 68 HA HIS 9 HA HIS 9 33.407 9.603 -3.206 69 1HB HIS 9 HB2 HIS 9 34.346 7.666 -4.433 70 2HB HIS 9 HB1 HIS 9 35.592 8.482 -3.486 71 HD1 HIS 9 HD1 HIS 9 33.638 5.302 -3.699 72 HD2 HIS 9 HD2 HIS 9 36.480 7.019 -1.179 73 HE1 HIS 9 HE1 HIS 9 34.456 3.451 -2.177 74 H ILE 10 HN ILE 10 31.767 8.317 -4.415 75 HA ILE 10 HA ILE 10 30.347 6.246 -2.811 76 HB ILE 10 HB ILE 10 29.554 8.691 -2.433 77 1HG1 ILE 10 HG12 ILE 10 27.148 7.938 -2.496 78 2HG1 ILE 10 HG11 ILE 10 27.683 6.483 -3.336 79 1HG2 ILE 10 HG21 ILE 10 29.569 8.844 -5.133 80 2HG2 ILE 10 HG22 ILE 10 28.506 9.828 -4.127 81 3HG2 ILE 10 HG23 ILE 10 27.894 8.355 -4.877 82 1HD1 ILE 10 HD11 ILE 10 27.447 6.468 -0.710 83 2HD1 ILE 10 HD12 ILE 10 29.021 7.259 -0.765 84 3HD1 ILE 10 HD13 ILE 10 28.815 5.658 -1.474 85 H GLU 11 HN GLU 11 29.347 4.700 -4.137 86 HA GLU 11 HA GLU 11 29.684 5.101 -7.089 87 1HB GLU 11 HB2 GLU 11 29.881 2.666 -7.152 88 2HB GLU 11 HB1 GLU 11 30.976 3.299 -5.922 89 1HG GLU 11 HG2 GLU 11 28.712 2.951 -4.445 90 2HG GLU 11 HG1 GLU 11 28.550 1.635 -5.609 91 H GLY 12 HN GLY 12 27.887 4.880 -8.409 92 1HA GLY 12 HA2 GLY 12 25.662 4.441 -9.043 93 2HA GLY 12 HA1 GLY 12 25.475 3.509 -7.558 94 H ARG 13 HN ARG 13 23.424 5.181 -8.411 95 HA ARG 13 HA ARG 13 23.607 7.757 -6.997 96 1HB ARG 13 HB2 ARG 13 21.395 8.076 -7.949 97 2HB ARG 13 HB1 ARG 13 22.406 7.319 -9.180 98 1HG ARG 13 HG2 ARG 13 21.506 5.075 -8.258 99 2HG ARG 13 HG1 ARG 13 20.263 6.053 -7.477 100 1HD ARG 13 HD2 ARG 13 19.209 5.611 -9.509 101 2HD ARG 13 HD1 ARG 13 20.073 7.100 -9.939 102 HE ARG 13 HE ARG 13 21.777 5.754 -11.029 103 1HH1 ARG 13 HH21 ARG 13 21.291 3.377 -9.100 104 2HH1 ARG 13 HH22 ARG 13 20.695 2.194 -10.215 105 1HH2 ARG 13 HH11 ARG 13 20.083 4.493 -12.736 106 2HH2 ARG 13 HH12 ARG 13 20.011 2.825 -12.274 107 H ALA 14 HN ALA 14 20.952 7.844 -5.970 108 HA ALA 14 HA ALA 14 21.339 6.489 -3.409 109 1HB ALA 14 HB1 ALA 14 20.328 8.544 -3.130 110 2HB ALA 14 HB2 ALA 14 18.867 7.568 -3.288 111 3HB ALA 14 HB3 ALA 14 19.491 8.452 -4.680 112 HA PRO 15 HA PRO 15 19.178 2.886 -5.016 113 1HB PRO 15 HB2 PRO 15 19.659 1.318 -2.823 114 2HB PRO 15 HB1 PRO 15 20.863 1.594 -4.098 115 1HG PRO 15 HG2 PRO 15 20.621 2.867 -1.417 116 2HG PRO 15 HG1 PRO 15 22.069 2.345 -2.291 117 1HD PRO 15 HD2 PRO 15 21.267 4.940 -2.154 118 2HD PRO 15 HD1 PRO 15 22.182 4.272 -3.524 119 H THR 16 HN THR 16 17.138 4.170 -4.724 120 HA THR 16 HA THR 16 15.566 3.121 -2.428 121 HB THR 16 HB THR 16 15.800 6.058 -3.163 122 HG1 THR 16 HG1 THR 16 16.715 4.667 -0.869 123 1HG2 THR 16 HG21 THR 16 14.166 4.508 -1.169 124 2HG2 THR 16 HG22 THR 16 13.649 5.784 -2.270 125 3HG2 THR 16 HG23 THR 16 14.609 6.183 -0.845 126 H GLU 17 HN GLU 17 13.282 3.125 -2.866 127 HA GLU 17 HA GLU 17 12.356 2.506 -5.380 128 1HB GLU 17 HB2 GLU 17 11.296 2.827 -2.906 129 2HB GLU 17 HB1 GLU 17 10.572 4.211 -3.726 130 1HG GLU 17 HG2 GLU 17 9.466 2.864 -5.300 131 2HG GLU 17 HG1 GLU 17 10.537 1.491 -5.015 132 H GLN 18 HN GLN 18 10.962 3.827 -6.887 133 HA GLN 18 HA GLN 18 11.302 6.715 -6.890 134 1HB GLN 18 HB2 GLN 18 12.535 6.641 -9.091 135 2HB GLN 18 HB1 GLN 18 13.463 6.002 -7.735 136 1HG GLN 18 HG2 GLN 18 12.459 3.704 -8.410 137 2HG GLN 18 HG1 GLN 18 12.081 4.488 -9.943 138 1HE2 GLN 18 HE21 GLN 18 13.777 4.694 -11.448 139 2HE2 GLN 18 HE22 GLN 18 15.401 4.337 -11.108 140 H SER 19 HN SER 19 8.918 5.404 -6.808 141 HA SER 19 HA SER 19 7.895 4.986 -9.548 142 1HB SER 19 HB2 SER 19 7.118 3.459 -7.902 143 2HB SER 19 HB1 SER 19 6.834 4.743 -6.730 144 HG SER 19 HG SER 19 4.922 4.980 -7.549 145 HA PRO 20 HA PRO 20 6.735 9.316 -9.583 146 1HB PRO 20 HB2 PRO 20 5.890 9.343 -12.184 147 2HB PRO 20 HB1 PRO 20 7.603 9.411 -11.726 148 1HG PRO 20 HG2 PRO 20 6.001 7.114 -12.716 149 2HG PRO 20 HG1 PRO 20 7.689 7.538 -13.037 150 1HD PRO 20 HD2 PRO 20 6.890 5.596 -11.269 151 2HD PRO 20 HD1 PRO 20 8.443 6.456 -11.178 152 H GLY 21 HN GLY 21 4.879 9.231 -8.227 153 1HA GLY 21 HA2 GLY 21 2.397 9.825 -8.873 154 2HA GLY 21 HA1 GLY 21 2.374 8.145 -9.410 155 H VAL 22 HN VAL 22 3.034 10.150 -6.536 156 HA VAL 22 HA VAL 22 1.944 7.909 -4.869 157 HB VAL 22 HB VAL 22 4.451 8.084 -4.861 158 1HG1 VAL 22 HG11 VAL 22 4.160 10.631 -3.301 159 2HG1 VAL 22 HG12 VAL 22 4.185 10.705 -5.063 160 3HG1 VAL 22 HG13 VAL 22 5.556 10.020 -4.190 161 1HG2 VAL 22 HG21 VAL 22 3.422 8.971 -2.172 162 2HG2 VAL 22 HG22 VAL 22 4.629 7.739 -2.544 163 3HG2 VAL 22 HG23 VAL 22 2.921 7.418 -2.844 164 H GLN 23 HN GLN 23 0.539 8.595 -3.245 165 HA GLN 23 HA GLN 23 0.460 11.149 -2.037 166 1HB GLN 23 HB2 GLN 23 -1.560 12.018 -3.352 167 2HB GLN 23 HB1 GLN 23 -0.020 12.046 -4.211 168 1HG GLN 23 HG2 GLN 23 -0.600 9.830 -5.223 169 2HG GLN 23 HG1 GLN 23 -2.185 9.938 -4.455 170 1HE2 GLN 23 HE21 GLN 23 -0.316 10.959 -7.192 171 2HE2 GLN 23 HE22 GLN 23 -1.480 11.991 -7.870 172 H ASP 24 HN ASP 24 -0.303 10.183 -0.158 173 HA ASP 24 HA ASP 24 -2.086 8.035 0.106 174 1HB ASP 24 HB2 ASP 24 -2.577 9.237 2.359 175 2HB ASP 24 HB1 ASP 24 -0.904 8.802 2.012 176 H CYS 25 HN CYS 25 -3.902 8.138 -1.285 177 HA CYS 25 HA CYS 25 -6.099 9.844 -0.357 178 1HB CYS 25 HB2 CYS 25 -5.861 11.496 -1.875 179 2HB CYS 25 HB1 CYS 25 -4.313 10.794 -2.299 180 H TYR 26 HN TYR 26 -8.145 9.326 -1.498 181 HA TYR 26 HA TYR 26 -8.177 7.047 -3.350 182 1HB TYR 26 HB2 TYR 26 -9.117 5.428 -1.875 183 2HB TYR 26 HB1 TYR 26 -7.746 6.117 -1.012 184 HD1 TYR 26 HD1 TYR 26 -11.453 6.508 -1.428 185 HD2 TYR 26 HD2 TYR 26 -8.038 7.008 1.127 186 HE1 TYR 26 HE1 TYR 26 -12.949 7.133 0.447 187 HE2 TYR 26 HE2 TYR 26 -9.534 7.634 3.002 188 HH TYR 26 HH TYR 26 -12.805 7.063 3.013 189 H HIS 27 HN HIS 27 -10.657 6.338 -3.599 190 HA HIS 27 HA HIS 27 -12.205 8.900 -3.608 191 1HB HIS 27 HB2 HIS 27 -11.568 7.797 -5.771 192 2HB HIS 27 HB1 HIS 27 -12.527 6.396 -5.295 193 HD1 HIS 27 HD1 HIS 27 -13.198 8.275 -7.773 194 HD2 HIS 27 HD2 HIS 27 -14.992 8.485 -4.016 195 HE1 HIS 27 HE1 HIS 27 -15.442 9.399 -8.113 196 H GLY 28 HN GLY 28 -14.186 6.284 -4.363 197 1HA GLY 28 HA2 GLY 28 -16.004 6.589 -2.291 198 2HA GLY 28 HA1 GLY 28 -15.787 5.062 -3.146 199 H ASP 29 HN ASP 29 -14.648 3.402 -2.141 200 HA ASP 29 HA ASP 29 -13.606 4.002 0.592 201 1HB ASP 29 HB2 ASP 29 -15.772 2.336 -0.275 202 2HB ASP 29 HB1 ASP 29 -14.508 1.303 0.390 203 H GLY 30 HN GLY 30 -11.764 4.211 -1.228 204 1HA GLY 30 HA2 GLY 30 -9.659 3.335 -1.814 205 2HA GLY 30 HA1 GLY 30 -10.018 1.933 -0.797 206 H GLN 31 HN GLN 31 -12.615 2.433 -2.826 207 HA GLN 31 HA GLN 31 -11.938 0.077 -4.439 208 1HB GLN 31 HB2 GLN 31 -14.244 1.741 -3.731 209 2HB GLN 31 HB1 GLN 31 -14.275 1.221 -5.417 210 1HG GLN 31 HG2 GLN 31 -13.461 -0.927 -3.610 211 2HG GLN 31 HG1 GLN 31 -15.069 -0.306 -3.233 212 1HE2 GLN 31 HE21 GLN 31 -13.329 -2.361 -5.362 213 2HE2 GLN 31 HE22 GLN 31 -14.563 -2.607 -6.501 214 H SER 32 HN SER 32 -11.380 0.077 -6.622 215 HA SER 32 HA SER 32 -10.787 0.937 -8.750 216 1HB SER 32 HB2 SER 32 -13.001 2.271 -8.052 217 2HB SER 32 HB1 SER 32 -11.869 3.618 -7.982 218 HG SER 32 HG SER 32 -13.009 2.767 -10.099 219 H TYR 33 HN TYR 33 -9.543 1.831 -5.852 220 HA TYR 33 HA TYR 33 -8.010 4.161 -6.222 221 1HB TYR 33 HB2 TYR 33 -8.193 2.917 -4.126 222 2HB TYR 33 HB1 TYR 33 -7.368 1.534 -4.843 223 HD1 TYR 33 HD1 TYR 33 -5.356 1.381 -3.603 224 HD2 TYR 33 HD2 TYR 33 -6.584 5.158 -5.239 225 HE1 TYR 33 HE1 TYR 33 -3.169 2.363 -2.977 226 HE2 TYR 33 HE2 TYR 33 -4.395 6.141 -4.614 227 HH TYR 33 HH TYR 33 -2.478 5.813 -3.527 228 H ARG 34 HN ARG 34 -7.333 4.188 -8.484 229 HA ARG 34 HA ARG 34 -5.769 2.134 -9.731 230 1HB ARG 34 HB2 ARG 34 -6.635 4.900 -10.173 231 2HB ARG 34 HB1 ARG 34 -5.050 4.567 -10.872 232 1HG ARG 34 HG2 ARG 34 -7.446 2.770 -11.298 233 2HG ARG 34 HG1 ARG 34 -7.017 4.079 -12.400 234 1HD ARG 34 HD2 ARG 34 -4.664 2.504 -11.823 235 2HD ARG 34 HD1 ARG 34 -5.969 1.453 -12.411 236 HE ARG 34 HE ARG 34 -5.125 3.943 -13.851 237 1HH1 ARG 34 HH11 ARG 34 -7.701 2.674 -14.678 238 2HH1 ARG 34 HH12 ARG 34 -7.199 1.631 -15.965 239 1HH2 ARG 34 HH21 ARG 34 -3.843 1.737 -15.101 240 2HH2 ARG 34 HH22 ARG 34 -5.017 1.099 -16.204 241 H GLY 35 HN GLY 35 -3.646 1.592 -9.364 242 1HA GLY 35 HA2 GLY 35 -1.316 2.656 -9.228 243 2HA GLY 35 HA1 GLY 35 -1.964 3.547 -7.850 244 H SER 36 HN SER 36 0.264 1.581 -7.955 245 HA SER 36 HA SER 36 -0.818 -0.661 -6.313 246 1HB SER 36 HB2 SER 36 1.876 -1.081 -6.689 247 2HB SER 36 HB1 SER 36 0.618 -1.657 -7.780 248 HG SER 36 HG SER 36 1.334 -0.303 -9.207 249 H PHE 37 HN PHE 37 -1.136 1.221 -4.636 250 HA PHE 37 HA PHE 37 1.094 2.454 -3.347 251 1HB PHE 37 HB2 PHE 37 -1.430 2.932 -3.246 252 2HB PHE 37 HB1 PHE 37 -1.499 1.657 -2.030 253 HD1 PHE 37 HD1 PHE 37 -0.385 5.060 -2.784 254 HD2 PHE 37 HD2 PHE 37 -0.295 1.897 0.121 255 HE1 PHE 37 HE1 PHE 37 0.398 6.664 -1.062 256 HE2 PHE 37 HE2 PHE 37 0.488 3.503 1.843 257 HZ PHE 37 HZ PHE 37 0.833 5.885 1.251 258 H SER 38 HN SER 38 2.456 0.353 -3.427 259 HA SER 38 HA SER 38 2.022 -1.814 -1.597 260 1HB SER 38 HB2 SER 38 4.594 -1.912 -1.907 261 2HB SER 38 HB1 SER 38 3.605 -2.035 -3.357 262 HG SER 38 HG SER 38 5.074 -0.491 -3.816 263 H THR 39 HN THR 39 1.408 0.587 -0.115 264 HA THR 39 HA THR 39 3.492 0.392 2.004 265 HB THR 39 HB THR 39 2.722 3.039 2.061 266 HG1 THR 39 HG1 THR 39 2.820 3.713 -0.103 267 1HG2 THR 39 HG21 THR 39 4.950 3.094 0.457 268 2HG2 THR 39 HG22 THR 39 5.042 1.476 1.151 269 3HG2 THR 39 HG23 THR 39 4.979 2.886 2.208 270 H THR 40 HN THR 40 2.463 -0.089 3.905 271 HA THR 40 HA THR 40 -0.448 0.033 4.098 272 HB THR 40 HB THR 40 -0.042 -1.046 6.233 273 HG1 THR 40 HG1 THR 40 1.604 -0.435 7.345 274 1HG2 THR 40 HG21 THR 40 0.425 -2.837 4.944 275 2HG2 THR 40 HG22 THR 40 2.122 -2.510 5.282 276 3HG2 THR 40 HG23 THR 40 1.377 -1.873 3.816 277 H VAL 41 HN VAL 41 -1.313 0.991 6.296 278 HA VAL 41 HA VAL 41 -1.284 3.776 6.248 279 HB VAL 41 HB VAL 41 -1.686 1.732 8.436 280 1HG1 VAL 41 HG11 VAL 41 -1.299 4.584 8.733 281 2HG1 VAL 41 HG12 VAL 41 -1.589 3.371 9.980 282 3HG1 VAL 41 HG13 VAL 41 -2.951 4.147 9.171 283 1HG2 VAL 41 HG21 VAL 41 -4.082 2.705 8.087 284 2HG2 VAL 41 HG22 VAL 41 -3.432 1.617 6.861 285 3HG2 VAL 41 HG23 VAL 41 -3.425 3.359 6.587 286 H THR 42 HN THR 42 1.125 1.620 7.587 287 HA THR 42 HA THR 42 2.462 3.784 9.097 288 HB THR 42 HB THR 42 3.249 0.901 8.560 289 HG1 THR 42 HG1 THR 42 1.686 0.452 9.859 290 1HG2 THR 42 HG21 THR 42 5.145 1.593 9.580 291 2HG2 THR 42 HG22 THR 42 4.175 1.655 11.051 292 3HG2 THR 42 HG23 THR 42 4.414 3.114 10.091 293 H GLY 43 HN GLY 43 2.650 2.228 5.983 294 1HA GLY 43 HA2 GLY 43 3.889 3.321 4.168 295 2HA GLY 43 HA1 GLY 43 5.064 3.874 5.366 296 H ARG 44 HN ARG 44 3.856 0.669 5.663 297 HA ARG 44 HA ARG 44 6.481 -0.516 5.461 298 1HB ARG 44 HB2 ARG 44 3.641 -1.532 5.628 299 2HB ARG 44 HB1 ARG 44 5.039 -2.605 5.685 300 1HG ARG 44 HG2 ARG 44 5.293 -0.310 7.485 301 2HG ARG 44 HG1 ARG 44 3.906 -1.331 7.866 302 1HD ARG 44 HD2 ARG 44 6.024 -3.114 7.290 303 2HD ARG 44 HD1 ARG 44 6.704 -1.862 8.350 304 HE ARG 44 HE ARG 44 4.068 -3.033 9.072 305 1HH1 ARG 44 HH11 ARG 44 7.174 -4.092 9.384 306 2HH1 ARG 44 HH12 ARG 44 7.248 -4.012 11.112 307 1HH2 ARG 44 HH21 ARG 44 4.260 -2.277 11.423 308 2HH2 ARG 44 HH22 ARG 44 5.600 -2.977 12.268 309 H THR 45 HN THR 45 5.913 -2.885 4.092 310 HA THR 45 HA THR 45 5.741 -1.958 1.237 311 HB THR 45 HB THR 45 7.947 -2.728 2.375 312 HG1 THR 45 HG1 THR 45 8.500 -3.064 0.390 313 1HG2 THR 45 HG21 THR 45 8.251 -5.004 2.801 314 2HG2 THR 45 HG22 THR 45 6.868 -5.465 1.810 315 3HG2 THR 45 HG23 THR 45 6.612 -4.714 3.384 316 H CYS 46 HN CYS 46 3.665 -3.062 3.094 317 HA CYS 46 HA CYS 46 2.258 -4.998 3.370 318 1HB CYS 46 HB2 CYS 46 1.860 -3.158 1.207 319 2HB CYS 46 HB1 CYS 46 1.207 -4.736 0.756 320 H GLN 47 HN GLN 47 2.964 -7.092 3.422 321 HA GLN 47 HA GLN 47 4.642 -8.381 1.575 322 1HB GLN 47 HB2 GLN 47 4.154 -9.270 3.771 323 2HB GLN 47 HB1 GLN 47 2.445 -9.437 3.378 324 1HG GLN 47 HG2 GLN 47 3.696 -11.596 3.224 325 2HG GLN 47 HG1 GLN 47 2.962 -11.117 1.692 326 1HE2 GLN 47 HE21 GLN 47 6.056 -11.363 3.426 327 2HE2 GLN 47 HE22 GLN 47 7.036 -11.181 2.052 328 H SER 48 HN SER 48 4.258 -8.781 -0.565 329 HA SER 48 HA SER 48 1.960 -8.461 -2.045 330 1HB SER 48 HB2 SER 48 4.074 -10.621 -2.287 331 2HB SER 48 HB1 SER 48 2.982 -10.141 -3.582 332 HG SER 48 HG SER 48 5.142 -9.116 -3.492 333 H TRP 49 HN TRP 49 0.263 -9.896 -2.751 334 HA TRP 49 HA TRP 49 -0.859 -11.588 -0.701 335 1HB TRP 49 HB2 TRP 49 -1.478 -11.560 -3.666 336 2HB TRP 49 HB1 TRP 49 -2.580 -11.947 -2.345 337 HD1 TRP 49 HD1 TRP 49 -1.148 -9.070 -4.280 338 HE1 TRP 49 HE1 TRP 49 -2.186 -6.883 -3.444 339 HE3 TRP 49 HE3 TRP 49 -3.528 -10.737 -0.140 340 HZ2 TRP 49 HZ2 TRP 49 -3.810 -5.942 -1.310 341 HZ3 TRP 49 HZ3 TRP 49 -4.827 -9.194 1.302 342 HH2 TRP 49 HH2 TRP 49 -4.971 -6.788 0.719 343 H SER 50 HN SER 50 1.243 -12.137 -3.441 344 HA SER 50 HA SER 50 0.925 -15.036 -3.514 345 1HB SER 50 HB2 SER 50 1.590 -13.468 -5.393 346 2HB SER 50 HB1 SER 50 3.144 -13.269 -4.587 347 HG SER 50 HG SER 50 2.512 -15.134 -6.264 348 H SER 51 HN SER 51 2.090 -13.262 -1.076 349 HA SER 51 HA SER 51 4.734 -14.307 -0.611 350 1HB SER 51 HB2 SER 51 4.333 -13.342 1.629 351 2HB SER 51 HB1 SER 51 3.793 -12.239 0.367 352 HG SER 51 HG SER 51 2.341 -13.698 2.229 353 H MET 52 HN MET 52 5.129 -16.441 -0.201 354 HA MET 52 HA MET 52 3.072 -17.963 1.355 355 1HB MET 52 HB2 MET 52 5.089 -19.027 -0.645 356 2HB MET 52 HB1 MET 52 3.701 -19.878 0.025 357 1HG MET 52 HG2 MET 52 3.039 -17.333 -1.306 358 2HG MET 52 HG1 MET 52 3.665 -18.584 -2.376 359 1HE MET 52 HE1 MET 52 0.017 -18.647 0.314 360 2HE MET 52 HE2 MET 52 1.243 -17.399 0.118 361 3HE MET 52 HE3 MET 52 1.635 -18.880 0.969 362 H THR 53 HN THR 53 5.547 -16.358 2.178 363 HA THR 53 HA THR 53 7.180 -18.533 3.402 364 HB THR 53 HB THR 53 8.332 -16.078 4.001 365 HG1 THR 53 HG1 THR 53 8.199 -14.951 2.028 366 1HG2 THR 53 HG21 THR 53 9.219 -18.288 2.934 367 2HG2 THR 53 HG22 THR 53 10.024 -16.770 2.537 368 3HG2 THR 53 HG23 THR 53 8.880 -17.484 1.401 369 HA PRO 54 HA PRO 54 6.066 -16.004 7.263 370 1HB PRO 54 HB2 PRO 54 4.675 -13.661 7.005 371 2HB PRO 54 HB1 PRO 54 6.447 -13.745 6.933 372 1HG PRO 54 HG2 PRO 54 4.471 -13.531 4.721 373 2HG PRO 54 HG1 PRO 54 6.064 -12.778 4.891 374 1HD PRO 54 HD2 PRO 54 5.582 -14.965 3.333 375 2HD PRO 54 HD1 PRO 54 7.159 -14.601 4.064 376 H HIS 55 HN HIS 55 3.282 -14.361 5.913 377 HA HIS 55 HA HIS 55 1.499 -16.371 7.182 378 1HB HIS 55 HB2 HIS 55 0.347 -14.052 5.737 379 2HB HIS 55 HB1 HIS 55 0.027 -14.621 7.372 380 HD1 HIS 55 HD1 HIS 55 2.343 -12.411 5.402 381 HD2 HIS 55 HD2 HIS 55 1.651 -13.429 9.384 382 HE1 HIS 55 HE1 HIS 55 3.717 -10.810 6.796 383 H TRP 56 HN TRP 56 0.933 -18.088 5.895 384 HA TRP 56 HA TRP 56 0.859 -17.764 2.947 385 1HB TRP 56 HB2 TRP 56 1.989 -19.650 4.275 386 2HB TRP 56 HB1 TRP 56 0.361 -20.242 4.609 387 HD1 TRP 56 HD1 TRP 56 -1.127 -20.063 2.024 388 HE1 TRP 56 HE1 TRP 56 -0.442 -21.281 -0.103 389 HE3 TRP 56 HE3 TRP 56 3.776 -20.780 3.044 390 HZ2 TRP 56 HZ2 TRP 56 1.911 -22.419 -1.254 391 HZ3 TRP 56 HZ3 TRP 56 5.227 -21.901 1.404 392 HH2 TRP 56 HH2 TRP 56 4.321 -22.741 -0.740 393 H HIS 57 HN HIS 57 -1.036 -17.867 1.752 394 HA HIS 57 HA HIS 57 -3.540 -18.750 3.060 395 1HB HIS 57 HB2 HIS 57 -4.620 -16.656 2.873 396 2HB HIS 57 HB1 HIS 57 -3.001 -16.221 3.415 397 HD1 HIS 57 HD1 HIS 57 -1.872 -16.901 0.379 398 HD2 HIS 57 HD2 HIS 57 -4.770 -14.116 1.486 399 HE1 HIS 57 HE1 HIS 57 -1.974 -15.193 -1.486 400 H GLN 58 HN GLN 58 -5.373 -18.089 1.168 401 HA GLN 58 HA GLN 58 -4.245 -19.134 -1.410 402 1HB GLN 58 HB2 GLN 58 -5.998 -20.355 0.457 403 2HB GLN 58 HB1 GLN 58 -6.980 -19.923 -0.943 404 1HG GLN 58 HG2 GLN 58 -5.010 -20.951 -2.323 405 2HG GLN 58 HG1 GLN 58 -4.593 -21.747 -0.805 406 1HE2 GLN 58 HE21 GLN 58 -5.399 -23.398 -2.893 407 2HE2 GLN 58 HE22 GLN 58 -6.959 -23.999 -2.597 408 H ARG 59 HN ARG 59 -5.106 -16.352 -0.400 409 HA ARG 59 HA ARG 59 -7.323 -15.839 -2.347 410 1HB ARG 59 HB2 ARG 59 -6.261 -14.336 0.065 411 2HB ARG 59 HB1 ARG 59 -7.550 -13.732 -0.978 412 1HG ARG 59 HG2 ARG 59 -7.763 -16.485 0.210 413 2HG ARG 59 HG1 ARG 59 -8.179 -15.075 1.186 414 1HD ARG 59 HD2 ARG 59 -10.203 -15.009 0.172 415 2HD ARG 59 HD1 ARG 59 -9.394 -14.734 -1.384 416 HE ARG 59 HE ARG 59 -9.208 -17.210 -1.613 417 1HH1 ARG 59 HH11 ARG 59 -12.135 -16.586 -1.581 418 2HH1 ARG 59 HH12 ARG 59 -12.736 -17.712 -0.410 419 1HH2 ARG 59 HH21 ARG 59 -9.612 -18.384 0.936 420 2HH2 ARG 59 HH22 ARG 59 -11.307 -18.731 1.014 421 H THR 60 HN THR 60 -4.322 -16.094 -2.893 422 HA THR 60 HA THR 60 -3.010 -13.668 -3.373 423 HB THR 60 HB THR 60 -1.883 -15.695 -3.868 424 HG1 THR 60 HG1 THR 60 -1.158 -14.461 -5.434 425 1HG2 THR 60 HG21 THR 60 -3.473 -17.343 -4.189 426 2HG2 THR 60 HG22 THR 60 -2.936 -17.110 -5.853 427 3HG2 THR 60 HG23 THR 60 -4.423 -16.346 -5.291 428 H THR 61 HN THR 61 -2.646 -12.831 -5.716 429 HA THR 61 HA THR 61 -5.185 -11.783 -6.700 430 HB THR 61 HB THR 61 -3.273 -11.072 -8.513 431 HG1 THR 61 HG1 THR 61 -1.404 -11.630 -7.777 432 1HG2 THR 61 HG21 THR 61 -4.657 -9.933 -6.382 433 2HG2 THR 61 HG22 THR 61 -3.688 -9.070 -7.577 434 3HG2 THR 61 HG23 THR 61 -2.965 -9.565 -6.047 435 H GLU 62 HN GLU 62 -3.316 -14.604 -7.225 436 HA GLU 62 HA GLU 62 -3.900 -15.013 -10.004 437 1HB GLU 62 HB2 GLU 62 -2.316 -16.164 -8.066 438 2HB GLU 62 HB1 GLU 62 -3.593 -17.367 -8.253 439 1HG GLU 62 HG2 GLU 62 -2.860 -17.984 -10.305 440 2HG GLU 62 HG1 GLU 62 -2.621 -16.312 -10.813 441 H TYR 63 HN TYR 63 -5.590 -15.405 -7.032 442 HA TYR 63 HA TYR 63 -7.761 -16.923 -8.372 443 1HB TYR 63 HB2 TYR 63 -6.549 -16.869 -5.775 444 2HB TYR 63 HB1 TYR 63 -8.244 -16.415 -5.601 445 HD1 TYR 63 HD1 TYR 63 -9.417 -18.298 -4.846 446 HD2 TYR 63 HD2 TYR 63 -6.535 -18.734 -8.002 447 HE1 TYR 63 HE1 TYR 63 -10.085 -20.670 -5.129 448 HE2 TYR 63 HE2 TYR 63 -7.204 -21.105 -8.283 449 HH TYR 63 HH TYR 63 -10.007 -22.420 -6.747 450 H TYR 64 HN TYR 64 -6.826 -13.776 -7.957 451 HA TYR 64 HA TYR 64 -9.618 -12.811 -8.254 452 1HB TYR 64 HB2 TYR 64 -7.915 -12.545 -5.843 453 2HB TYR 64 HB1 TYR 64 -8.712 -11.060 -6.364 454 HD1 TYR 64 HD1 TYR 64 -11.244 -11.858 -7.435 455 HD2 TYR 64 HD2 TYR 64 -9.119 -13.504 -4.084 456 HE1 TYR 64 HE1 TYR 64 -13.383 -12.665 -6.475 457 HE2 TYR 64 HE2 TYR 64 -11.259 -14.311 -3.124 458 HH TYR 64 HH TYR 64 -13.644 -14.949 -4.232 459 HA PRO 65 HA PRO 65 -6.287 -10.528 -10.577 460 1HB PRO 65 HB2 PRO 65 -7.247 -11.041 -13.085 461 2HB PRO 65 HB1 PRO 65 -6.114 -12.119 -12.247 462 1HG PRO 65 HG2 PRO 65 -9.048 -12.380 -12.620 463 2HG PRO 65 HG1 PRO 65 -7.795 -13.629 -12.601 464 1HD PRO 65 HD2 PRO 65 -9.474 -13.085 -10.494 465 2HD PRO 65 HD1 PRO 65 -7.881 -13.857 -10.336 466 H ASN 66 HN ASN 66 -9.539 -10.311 -9.930 467 HA ASN 66 HA ASN 66 -10.218 -8.127 -11.779 468 1HB ASN 66 HB2 ASN 66 -11.499 -9.710 -9.587 469 2HB ASN 66 HB1 ASN 66 -12.216 -8.154 -10.010 470 1HD2 ASN 66 HD21 ASN 66 -11.985 -8.002 -12.739 471 2HD2 ASN 66 HD22 ASN 66 -12.760 -9.310 -13.493 472 H GLY 67 HN GLY 67 -8.444 -8.342 -8.900 473 1HA GLY 67 HA2 GLY 67 -9.301 -5.695 -7.892 474 2HA GLY 67 HA1 GLY 67 -8.138 -6.769 -7.114 475 H GLY 68 HN GLY 68 -6.306 -7.250 -9.084 476 1HA GLY 68 HA2 GLY 68 -4.705 -6.215 -10.533 477 2HA GLY 68 HA1 GLY 68 -5.493 -4.660 -10.252 478 H LEU 69 HN LEU 69 -4.636 -6.829 -7.641 479 HA LEU 69 HA LEU 69 -2.610 -4.818 -6.726 480 1HB LEU 69 HB2 LEU 69 -3.231 -5.844 -4.469 481 2HB LEU 69 HB1 LEU 69 -4.484 -4.922 -5.272 482 HG LEU 69 HG LEU 69 -4.384 -7.792 -5.974 483 1HD1 LEU 69 HD11 LEU 69 -4.668 -6.821 -3.193 484 2HD1 LEU 69 HD12 LEU 69 -4.212 -8.417 -3.789 485 3HD1 LEU 69 HD13 LEU 69 -5.911 -7.950 -3.730 486 1HD2 LEU 69 HD21 LEU 69 -6.777 -7.545 -5.984 487 2HD2 LEU 69 HD22 LEU 69 -6.107 -6.102 -6.742 488 3HD2 LEU 69 HD23 LEU 69 -6.681 -6.036 -5.077 489 H THR 70 HN THR 70 -2.191 -7.166 -8.511 490 HA THR 70 HA THR 70 -1.087 -9.443 -7.323 491 HB THR 70 HB THR 70 -1.303 -8.972 -9.761 492 HG1 THR 70 HG1 THR 70 0.363 -10.442 -8.714 493 1HG2 THR 70 HG21 THR 70 0.786 -7.668 -10.682 494 2HG2 THR 70 HG22 THR 70 0.811 -6.958 -9.068 495 3HG2 THR 70 HG23 THR 70 -0.612 -6.770 -10.093 496 H ARG 71 HN ARG 71 1.090 -9.933 -6.563 497 HA ARG 71 HA ARG 71 3.128 -9.435 -5.449 498 1HB ARG 71 HB2 ARG 71 3.095 -7.935 -7.680 499 2HB ARG 71 HB1 ARG 71 3.013 -6.635 -6.490 500 1HG ARG 71 HG2 ARG 71 4.975 -7.944 -5.332 501 2HG ARG 71 HG1 ARG 71 5.192 -8.656 -6.931 502 1HD ARG 71 HD2 ARG 71 4.878 -5.928 -7.458 503 2HD ARG 71 HD1 ARG 71 5.903 -5.981 -6.010 504 HE ARG 71 HE ARG 71 6.538 -7.289 -8.611 505 1HH1 ARG 71 HH11 ARG 71 7.467 -8.819 -6.156 506 2HH1 ARG 71 HH12 ARG 71 9.070 -8.195 -5.952 507 1HH2 ARG 71 HH21 ARG 71 8.551 -5.457 -8.015 508 2HH2 ARG 71 HH22 ARG 71 9.683 -6.291 -7.004 509 H ASN 72 HN ASN 72 3.687 -6.613 -4.520 510 HA ASN 72 HA ASN 72 1.835 -6.632 -2.221 511 1HB ASN 72 HB2 ASN 72 4.004 -6.606 -1.408 512 2HB ASN 72 HB1 ASN 72 4.639 -5.792 -2.834 513 1HD2 ASN 72 HD21 ASN 72 1.852 -4.575 -1.033 514 2HD2 ASN 72 HD22 ASN 72 2.627 -3.181 -0.462 515 H TYR 73 HN TYR 73 0.182 -5.748 -3.811 516 HA TYR 73 HA TYR 73 0.506 -2.779 -4.195 517 1HB TYR 73 HB2 TYR 73 -1.071 -4.916 -5.681 518 2HB TYR 73 HB1 TYR 73 -1.260 -3.192 -5.988 519 HD1 TYR 73 HD1 TYR 73 -0.461 -4.947 -8.181 520 HD2 TYR 73 HD2 TYR 73 1.976 -3.046 -5.195 521 HE1 TYR 73 HE1 TYR 73 1.483 -5.018 -9.717 522 HE2 TYR 73 HE2 TYR 73 3.915 -3.119 -6.731 523 HH TYR 73 HH TYR 73 3.621 -3.786 -10.034 524 H CYS 74 HN CYS 74 -0.998 -1.518 -3.175 525 HA CYS 74 HA CYS 74 -2.761 -2.691 -1.187 526 1HB CYS 74 HB2 CYS 74 -1.547 -0.185 -1.894 527 2HB CYS 74 HB1 CYS 74 -3.263 0.072 -1.584 528 H ARG 75 HN ARG 75 -4.782 -3.425 -1.629 529 HA ARG 75 HA ARG 75 -6.484 -1.926 -3.579 530 1HB ARG 75 HB2 ARG 75 -5.365 -4.597 -3.780 531 2HB ARG 75 HB1 ARG 75 -7.124 -4.664 -3.790 532 1HG ARG 75 HG2 ARG 75 -6.000 -4.360 -6.082 533 2HG ARG 75 HG1 ARG 75 -7.277 -3.218 -5.684 534 1HD ARG 75 HD2 ARG 75 -5.723 -1.476 -5.208 535 2HD ARG 75 HD1 ARG 75 -4.363 -2.615 -5.123 536 HE ARG 75 HE ARG 75 -4.384 -2.774 -7.514 537 1HH1 ARG 75 HH21 ARG 75 -7.469 -2.751 -7.629 538 2HH1 ARG 75 HH22 ARG 75 -7.738 -1.305 -8.545 539 1HH2 ARG 75 HH11 ARG 75 -4.514 -0.108 -8.099 540 2HH2 ARG 75 HH12 ARG 75 -6.065 0.192 -8.808 541 H ASN 76 HN ASN 76 -8.869 -2.649 -3.242 542 HA ASN 76 HA ASN 76 -9.338 -3.522 -0.415 543 1HB ASN 76 HB2 ASN 76 -9.301 -0.961 -0.995 544 2HB ASN 76 HB1 ASN 76 -10.890 -1.283 -1.686 545 1HD2 ASN 76 HD21 ASN 76 -11.435 0.287 0.250 546 2HD2 ASN 76 HD22 ASN 76 -11.777 -0.458 1.737 547 HA PRO 77 HA PRO 77 -12.168 -5.728 -3.284 548 1HB PRO 77 HB2 PRO 77 -11.881 -8.172 -2.089 549 2HB PRO 77 HB1 PRO 77 -10.772 -7.576 -3.340 550 1HG PRO 77 HG2 PRO 77 -10.417 -7.693 -0.396 551 2HG PRO 77 HG1 PRO 77 -9.230 -7.921 -1.688 552 1HD PRO 77 HD2 PRO 77 -9.496 -5.620 -0.197 553 2HD PRO 77 HD1 PRO 77 -8.760 -5.698 -1.812 554 H ASP 78 HN ASP 78 -12.133 -4.759 -0.099 555 HA ASP 78 HA ASP 78 -14.742 -6.075 0.558 556 1HB ASP 78 HB2 ASP 78 -12.780 -6.349 2.089 557 2HB ASP 78 HB1 ASP 78 -12.754 -4.600 2.316 558 H ALA 79 HN ALA 79 -13.317 -3.097 -0.383 559 HA ALA 79 HA ALA 79 -14.334 -0.997 -0.793 560 1HB ALA 79 HB1 ALA 79 -16.384 -2.956 -0.720 561 2HB ALA 79 HB2 ALA 79 -16.460 -1.357 -1.458 562 3HB ALA 79 HB3 ALA 79 -16.974 -1.581 0.214 563 H GLU 80 HN GLU 80 -13.137 -1.726 1.835 564 HA GLU 80 HA GLU 80 -14.814 -0.473 3.891 565 1HB GLU 80 HB2 GLU 80 -12.678 -2.250 3.773 566 2HB GLU 80 HB1 GLU 80 -11.949 -0.781 4.424 567 1HG GLU 80 HG2 GLU 80 -12.894 -1.173 6.424 568 2HG GLU 80 HG1 GLU 80 -14.495 -1.171 5.683 569 H ILE 81 HN ILE 81 -13.240 1.213 5.285 570 HA ILE 81 HA ILE 81 -13.363 3.717 4.124 571 HB ILE 81 HB ILE 81 -11.462 4.265 5.706 572 1HG1 ILE 81 HG12 ILE 81 -11.143 1.968 7.164 573 2HG1 ILE 81 HG11 ILE 81 -11.192 1.333 5.519 574 1HG2 ILE 81 HG21 ILE 81 -13.210 2.413 7.223 575 2HG2 ILE 81 HG22 ILE 81 -14.029 3.639 6.255 576 3HG2 ILE 81 HG23 ILE 81 -12.872 4.122 7.496 577 1HD1 ILE 81 HD11 ILE 81 -8.977 2.460 6.754 578 2HD1 ILE 81 HD12 ILE 81 -9.585 3.763 5.732 579 3HD1 ILE 81 HD13 ILE 81 -9.169 2.204 5.020 580 H SER 82 HN SER 82 -10.794 1.321 3.718 581 HA SER 82 HA SER 82 -9.931 2.561 1.209 582 1HB SER 82 HB2 SER 82 -7.763 2.325 3.242 583 2HB SER 82 HB1 SER 82 -7.962 3.507 1.951 584 HG SER 82 HG SER 82 -8.385 4.567 3.834 585 HA PRO 83 HA PRO 83 -8.395 -1.492 0.545 586 1HB PRO 83 HB2 PRO 83 -5.973 -1.156 -0.669 587 2HB PRO 83 HB1 PRO 83 -7.509 -0.765 -1.464 588 1HG PRO 83 HG2 PRO 83 -5.501 1.031 -0.254 589 2HG PRO 83 HG1 PRO 83 -6.574 1.298 -1.635 590 1HD PRO 83 HD2 PRO 83 -6.968 2.292 0.934 591 2HD PRO 83 HD1 PRO 83 -8.213 2.166 -0.327 592 H TRP 84 HN TRP 84 -6.628 -3.088 1.064 593 HA TRP 84 HA TRP 84 -4.653 -2.252 3.103 594 1HB TRP 84 HB2 TRP 84 -5.632 -3.852 4.752 595 2HB TRP 84 HB1 TRP 84 -6.747 -2.546 4.351 596 HD1 TRP 84 HD1 TRP 84 -8.975 -3.157 3.173 597 HE1 TRP 84 HE1 TRP 84 -10.088 -5.382 2.492 598 HE3 TRP 84 HE3 TRP 84 -5.060 -6.355 3.886 599 HZ2 TRP 84 HZ2 TRP 84 -9.405 -8.154 2.279 600 HZ3 TRP 84 HZ3 TRP 84 -5.316 -8.778 3.439 601 HH2 TRP 84 HH2 TRP 84 -7.481 -9.682 2.637 602 H CYS 85 HN CYS 85 -3.354 -4.274 3.806 603 HA CYS 85 HA CYS 85 -3.528 -6.667 2.170 604 1HB CYS 85 HB2 CYS 85 -1.178 -6.049 1.111 605 2HB CYS 85 HB1 CYS 85 -2.668 -5.487 0.364 606 H TYR 86 HN TYR 86 -1.702 -8.163 2.620 607 HA TYR 86 HA TYR 86 -1.018 -8.289 5.384 608 1HB TYR 86 HB2 TYR 86 0.412 -9.591 3.051 609 2HB TYR 86 HB1 TYR 86 0.244 -10.221 4.690 610 HD1 TYR 86 HD1 TYR 86 -2.682 -9.355 5.067 611 HD2 TYR 86 HD2 TYR 86 -0.663 -11.430 1.893 612 HE1 TYR 86 HE1 TYR 86 -4.810 -10.459 4.436 613 HE2 TYR 86 HE2 TYR 86 -2.792 -12.534 1.263 614 HH TYR 86 HH TYR 86 -5.438 -11.776 1.647 615 H THR 87 HN THR 87 1.218 -8.235 6.291 616 HA THR 87 HA THR 87 2.807 -5.974 5.141 617 HB THR 87 HB THR 87 3.842 -6.501 7.600 618 HG1 THR 87 HG1 THR 87 2.597 -8.024 8.351 619 1HG2 THR 87 HG21 THR 87 1.230 -5.028 7.397 620 2HG2 THR 87 HG22 THR 87 2.686 -4.406 6.617 621 3HG2 THR 87 HG23 THR 87 2.651 -4.635 8.365 622 H MET 88 HN MET 88 5.019 -6.293 4.610 623 HA MET 88 HA MET 88 5.903 -9.040 4.169 624 1HB MET 88 HB2 MET 88 6.386 -6.936 2.809 625 2HB MET 88 HB1 MET 88 7.528 -6.491 4.079 626 1HG MET 88 HG2 MET 88 8.850 -8.456 3.695 627 2HG MET 88 HG1 MET 88 7.618 -9.155 2.644 628 1HE MET 88 HE1 MET 88 6.799 -8.261 0.605 629 2HE MET 88 HE2 MET 88 8.194 -9.183 0.050 630 3HE MET 88 HE3 MET 88 7.862 -7.599 -0.645 631 H ASP 89 HN ASP 89 5.554 -7.671 7.064 632 HA ASP 89 HA ASP 89 8.162 -8.692 8.107 633 1HB ASP 89 HB2 ASP 89 6.706 -6.179 8.403 634 2HB ASP 89 HB1 ASP 89 7.035 -6.925 9.967 635 HA PRO 90 HA PRO 90 5.615 -11.539 10.291 636 1HB PRO 90 HB2 PRO 90 7.423 -12.265 12.220 637 2HB PRO 90 HB1 PRO 90 7.520 -12.829 10.539 638 1HG PRO 90 HG2 PRO 90 9.032 -10.648 11.893 639 2HG PRO 90 HG1 PRO 90 9.589 -11.839 10.707 640 1HD PRO 90 HD2 PRO 90 9.000 -9.259 10.060 641 2HD PRO 90 HD1 PRO 90 8.829 -10.611 8.919 642 H ASN 91 HN ASN 91 6.573 -8.537 11.422 643 HA ASN 91 HA ASN 91 5.524 -8.860 14.166 644 1HB ASN 91 HB2 ASN 91 7.354 -7.404 14.064 645 2HB ASN 91 HB1 ASN 91 6.867 -6.744 12.504 646 1HD2 ASN 91 HD21 ASN 91 5.704 -4.808 12.533 647 2HD2 ASN 91 HD22 ASN 91 5.048 -4.098 13.929 648 H VAL 92 HN VAL 92 4.352 -8.181 11.021 649 HA VAL 92 HA VAL 92 1.799 -7.123 12.183 650 HB VAL 92 HB VAL 92 3.215 -6.342 9.607 651 1HG1 VAL 92 HG11 VAL 92 0.985 -5.920 9.129 652 2HG1 VAL 92 HG12 VAL 92 1.397 -4.422 9.961 653 3HG1 VAL 92 HG13 VAL 92 0.551 -5.705 10.825 654 1HG2 VAL 92 HG21 VAL 92 4.465 -5.225 11.203 655 2HG2 VAL 92 HG22 VAL 92 3.151 -5.212 12.380 656 3HG2 VAL 92 HG23 VAL 92 3.139 -4.076 11.031 657 H ARG 93 HN ARG 93 -0.034 -8.175 11.379 658 HA ARG 93 HA ARG 93 0.387 -10.449 9.587 659 1HB ARG 93 HB2 ARG 93 -0.993 -10.469 11.714 660 2HB ARG 93 HB1 ARG 93 -2.150 -9.427 10.884 661 1HG ARG 93 HG2 ARG 93 -3.053 -11.522 10.429 662 2HG ARG 93 HG1 ARG 93 -2.021 -11.291 9.017 663 1HD ARG 93 HD2 ARG 93 -0.613 -12.976 9.634 664 2HD ARG 93 HD1 ARG 93 -0.636 -12.486 11.340 665 HE ARG 93 HE ARG 93 -3.036 -13.812 10.158 666 1HH1 ARG 93 HH11 ARG 93 -1.034 -15.844 10.853 667 2HH1 ARG 93 HH12 ARG 93 -1.363 -16.170 12.522 668 1HH2 ARG 93 HH21 ARG 93 -3.215 -13.277 12.997 669 2HH2 ARG 93 HH22 ARG 93 -2.597 -14.716 13.736 670 H TRP 94 HN TRP 94 -1.561 -7.477 9.712 671 HA TRP 94 HA TRP 94 -1.392 -7.146 6.802 672 1HB TRP 94 HB2 TRP 94 -3.753 -7.439 6.391 673 2HB TRP 94 HB1 TRP 94 -3.214 -8.859 7.286 674 HD1 TRP 94 HD1 TRP 94 -4.319 -9.334 9.556 675 HE1 TRP 94 HE1 TRP 94 -6.072 -8.122 11.006 676 HE3 TRP 94 HE3 TRP 94 -4.624 -4.896 7.046 677 HZ2 TRP 94 HZ2 TRP 94 -7.425 -5.602 11.091 678 HZ3 TRP 94 HZ3 TRP 94 -6.151 -3.111 7.832 679 HH2 TRP 94 HH2 TRP 94 -7.549 -3.456 9.849 680 H GLU 95 HN GLU 95 -2.247 -5.004 6.171 681 HA GLU 95 HA GLU 95 -3.117 -3.227 8.391 682 1HB GLU 95 HB2 GLU 95 -0.576 -2.968 6.762 683 2HB GLU 95 HB1 GLU 95 -1.253 -1.633 7.693 684 1HG GLU 95 HG2 GLU 95 -1.265 -3.323 9.674 685 2HG GLU 95 HG1 GLU 95 -0.123 -4.239 8.690 686 H TYR 96 HN TYR 96 -3.796 -1.066 7.529 687 HA TYR 96 HA TYR 96 -5.195 -1.367 4.958 688 1HB TYR 96 HB2 TYR 96 -5.151 0.461 7.314 689 2HB TYR 96 HB1 TYR 96 -5.714 1.153 5.792 690 HD1 TYR 96 HD1 TYR 96 -6.702 -0.632 8.665 691 HD2 TYR 96 HD2 TYR 96 -7.404 -0.402 4.434 692 HE1 TYR 96 HE1 TYR 96 -8.896 -1.747 8.970 693 HE2 TYR 96 HE2 TYR 96 -9.598 -1.518 4.738 694 HH TYR 96 HH TYR 96 -10.529 -2.937 7.780 695 H CYS 97 HN CYS 97 -5.133 0.947 3.674 696 HA CYS 97 HA CYS 97 -2.247 1.355 3.006 697 1HB CYS 97 HB2 CYS 97 -4.764 1.966 1.430 698 2HB CYS 97 HB1 CYS 97 -3.111 1.971 0.813 699 H ASN 98 HN ASN 98 -1.373 3.416 2.972 700 HA ASN 98 HA ASN 98 -2.564 5.466 4.624 701 1HB ASN 98 HB2 ASN 98 -0.149 5.047 2.934 702 2HB ASN 98 HB1 ASN 98 -0.560 6.714 3.336 703 1HD2 ASN 98 HD21 ASN 98 1.630 4.747 4.365 704 2HD2 ASN 98 HD22 ASN 98 1.507 4.875 6.052 705 H LEU 99 HN LEU 99 -4.678 5.752 3.348 706 HA LEU 99 HA LEU 99 -4.256 7.890 1.321 707 1HB LEU 99 HB2 LEU 99 -6.414 6.228 0.420 708 2HB LEU 99 HB1 LEU 99 -4.912 6.611 -0.412 709 HG LEU 99 HG LEU 99 -5.012 4.472 1.716 710 1HD1 LEU 99 HD11 LEU 99 -5.323 2.847 -0.128 711 2HD1 LEU 99 HD12 LEU 99 -5.571 4.182 -1.250 712 3HD1 LEU 99 HD13 LEU 99 -6.722 3.902 0.056 713 1HD2 LEU 99 HD21 LEU 99 -3.014 5.635 0.035 714 2HD2 LEU 99 HD22 LEU 99 -3.270 3.975 -0.505 715 3HD2 LEU 99 HD23 LEU 99 -2.830 4.299 1.172 716 H THR 100 HN THR 100 -5.796 9.486 1.456 717 HA THR 100 HA THR 100 -7.961 9.115 3.480 718 HB THR 100 HB THR 100 -7.852 11.532 3.657 719 HG1 THR 100 HG1 THR 100 -7.529 12.140 1.568 720 1HG2 THR 100 HG21 THR 100 -5.748 9.797 4.245 721 2HG2 THR 100 HG22 THR 100 -5.984 11.415 4.908 722 3HG2 THR 100 HG23 THR 100 -4.970 11.184 3.483 723 H GLN 101 HN GLN 101 -10.085 10.064 2.939 724 HA GLN 101 HA GLN 101 -11.129 9.292 0.434 725 1HB GLN 101 HB2 GLN 101 -12.127 10.162 2.784 726 2HB GLN 101 HB1 GLN 101 -12.328 11.633 1.831 727 1HG GLN 101 HG2 GLN 101 -13.371 10.100 0.032 728 2HG GLN 101 HG1 GLN 101 -13.494 8.897 1.317 729 1HE2 GLN 101 HE21 GLN 101 -15.149 9.169 2.884 730 2HE2 GLN 101 HE22 GLN 101 -16.239 10.470 2.878 731 H CYS 102 HN CYS 102 -9.690 10.089 -1.221 732 HA CYS 102 HA CYS 102 -9.597 13.015 -1.544 733 1HB CYS 102 HB2 CYS 102 -7.599 12.668 -2.666 734 2HB CYS 102 HB1 CYS 102 -7.614 11.334 -1.520 735 HA PRO 103 HA PRO 103 -12.726 12.478 -4.657 736 1HB PRO 103 HB2 PRO 103 -12.945 15.118 -5.328 737 2HB PRO 103 HB1 PRO 103 -13.660 14.434 -3.855 738 1HG PRO 103 HG2 PRO 103 -11.188 16.039 -4.188 739 2HG PRO 103 HG1 PRO 103 -12.358 16.025 -2.860 740 1HD PRO 103 HD2 PRO 103 -9.903 14.772 -2.802 741 2HD PRO 103 HD1 PRO 103 -11.288 14.335 -1.778 742 H VAL 104 HN VAL 104 -12.916 13.727 -7.006 743 HA VAL 104 HA VAL 104 -10.241 13.330 -8.302 744 HB VAL 104 HB VAL 104 -13.030 13.112 -9.479 745 1HG1 VAL 104 HG11 VAL 104 -11.570 13.326 -11.286 746 2HG1 VAL 104 HG12 VAL 104 -11.580 11.577 -11.056 747 3HG1 VAL 104 HG13 VAL 104 -10.240 12.541 -10.435 748 1HG2 VAL 104 HG21 VAL 104 -11.316 11.174 -7.972 749 2HG2 VAL 104 HG22 VAL 104 -12.257 10.567 -9.334 750 3HG2 VAL 104 HG23 VAL 104 -13.071 11.346 -7.977 751 H THR 105 HN THR 105 -10.098 14.645 -10.436 752 HA THR 105 HA THR 105 -10.456 17.459 -9.830 753 HB THR 105 HB THR 105 -9.744 16.028 -12.412 754 HG1 THR 105 HG1 THR 105 -8.360 15.437 -10.752 755 1HG2 THR 105 HG21 THR 105 -8.920 18.064 -13.198 756 2HG2 THR 105 HG22 THR 105 -8.773 18.744 -11.578 757 3HG2 THR 105 HG23 THR 105 -10.363 18.578 -12.323 758 H GLU 106 HN GLU 106 -12.692 17.951 -9.681 759 HA GLU 106 HA GLU 106 -14.092 18.480 -12.108 760 1HB GLU 106 HB2 GLU 106 -15.734 16.713 -12.067 761 2HB GLU 106 HB1 GLU 106 -14.151 15.945 -11.952 762 1HG GLU 106 HG2 GLU 106 -14.410 15.919 -9.455 763 2HG GLU 106 HG1 GLU 106 -16.055 16.522 -9.665 764 H SER 107 HN SER 107 -14.303 17.837 -8.632 765 HA SER 107 HA SER 107 -16.219 20.131 -8.411 766 1HB SER 107 HB2 SER 107 -17.131 18.579 -6.466 767 2HB SER 107 HB1 SER 107 -17.644 18.311 -8.129 768 HG SER 107 HG SER 107 -16.953 16.363 -7.302 769 H SER 108 HN SER 108 -16.395 20.593 -5.847 770 HA SER 108 HA SER 108 -13.724 20.298 -4.556 771 1HB SER 108 HB2 SER 108 -15.071 22.773 -5.560 772 2HB SER 108 HB1 SER 108 -14.143 22.889 -4.068 773 HG SER 108 HG SER 108 -13.265 22.795 -6.584 774 H VAL 109 HN VAL 109 -16.179 19.025 -3.832 775 HA VAL 109 HA VAL 109 -17.190 20.591 -1.501 776 HB VAL 109 HB VAL 109 -18.904 18.727 -1.513 777 1HG1 VAL 109 HG11 VAL 109 -19.500 20.738 -2.652 778 2HG1 VAL 109 HG12 VAL 109 -19.874 19.429 -3.773 779 3HG1 VAL 109 HG13 VAL 109 -18.409 20.387 -3.992 780 1HG2 VAL 109 HG21 VAL 109 -18.237 17.864 -4.214 781 2HG2 VAL 109 HG22 VAL 109 -18.597 16.889 -2.789 782 3HG2 VAL 109 HG23 VAL 109 -16.954 17.462 -3.073 783 H LEU 110 HN LEU 110 -15.416 20.269 -0.024 784 HA LEU 110 HA LEU 110 -14.563 17.497 0.571 785 1HB LEU 110 HB2 LEU 110 -13.392 20.025 0.568 786 2HB LEU 110 HB1 LEU 110 -13.577 19.652 2.283 787 HG LEU 110 HG LEU 110 -12.359 17.737 0.277 788 1HD1 LEU 110 HD11 LEU 110 -10.207 18.399 1.522 789 2HD1 LEU 110 HD12 LEU 110 -11.104 19.810 2.083 790 3HD1 LEU 110 HD13 LEU 110 -10.839 19.563 0.357 791 1HD2 LEU 110 HD21 LEU 110 -13.038 17.680 3.150 792 2HD2 LEU 110 HD22 LEU 110 -11.406 17.126 2.777 793 3HD2 LEU 110 HD23 LEU 110 -12.797 16.343 2.025 794 H ALA 111 HN ALA 111 -17.341 18.550 1.231 795 HA ALA 111 HA ALA 111 -17.289 17.800 4.126 796 1HB ALA 111 HB1 ALA 111 -18.976 19.631 4.475 797 2HB ALA 111 HB2 ALA 111 -18.711 20.134 2.806 798 3HB ALA 111 HB3 ALA 111 -17.395 20.232 3.977 799 H THR 112 HN THR 112 -17.935 15.762 2.725 800 HA THR 112 HA THR 112 -20.690 15.764 1.701 801 HB THR 112 HB THR 112 -18.938 13.371 2.256 802 HG1 THR 112 HG1 THR 112 -18.309 14.018 -0.074 803 1HG2 THR 112 HG21 THR 112 -20.420 12.319 0.933 804 2HG2 THR 112 HG22 THR 112 -20.235 13.542 -0.325 805 3HG2 THR 112 HG23 THR 112 -21.405 13.783 0.973 806 H SER 113 HN SER 113 -19.124 15.207 4.734 807 HA SER 113 HA SER 113 -20.896 13.300 5.920 808 1HB SER 113 HB2 SER 113 -18.936 15.375 6.771 809 2HB SER 113 HB1 SER 113 -20.058 14.801 8.003 810 HG SER 113 HG SER 113 -18.829 12.912 6.356 811 H THR 114 HN THR 114 -20.938 16.881 5.999 812 HA THR 114 HA THR 114 -23.460 17.005 7.449 813 HB THR 114 HB THR 114 -23.202 19.431 6.927 814 HG1 THR 114 HG1 THR 114 -22.306 19.056 4.821 815 1HG2 THR 114 HG21 THR 114 -21.751 19.485 8.641 816 2HG2 THR 114 HG22 THR 114 -20.439 18.958 7.586 817 3HG2 THR 114 HG23 THR 114 -21.451 17.764 8.400 818 H ALA 115 HN ALA 115 -24.292 15.366 5.585 819 HA ALA 115 HA ALA 115 -25.541 17.034 3.423 820 1HB ALA 115 HB1 ALA 115 -25.600 14.213 2.890 821 2HB ALA 115 HB2 ALA 115 -23.970 14.651 3.402 822 3HB ALA 115 HB3 ALA 115 -24.711 15.466 2.025 823 H VAL 116 HN VAL 116 -27.702 15.995 2.682 824 HA VAL 116 HA VAL 116 -29.555 15.930 4.849 825 HB VAL 116 HB VAL 116 -30.020 16.500 2.466 826 1HG1 VAL 116 HG11 VAL 116 -28.798 14.933 1.206 827 2HG1 VAL 116 HG12 VAL 116 -30.464 14.391 1.005 828 3HG1 VAL 116 HG13 VAL 116 -29.401 13.569 2.147 829 1HG2 VAL 116 HG21 VAL 116 -31.852 14.237 2.769 830 2HG2 VAL 116 HG22 VAL 116 -32.195 15.967 2.804 831 3HG2 VAL 116 HG23 VAL 116 -31.651 15.147 4.267 832 H SER 117 HN SER 117 -27.452 13.493 3.636 833 HA SER 117 HA SER 117 -29.118 11.245 4.601 834 1HB SER 117 HB2 SER 117 -27.399 9.907 3.563 835 2HB SER 117 HB1 SER 117 -27.704 11.269 2.490 836 HG SER 117 HG SER 117 -25.639 11.083 4.436 837 H GLU 118 HN GLU 118 -28.761 10.207 6.550 838 HA GLU 118 HA GLU 118 -26.239 10.524 8.024 839 1HB GLU 118 HB2 GLU 118 -27.415 11.639 9.946 840 2HB GLU 118 HB1 GLU 118 -27.360 12.639 8.494 841 1HG GLU 118 HG2 GLU 118 -29.664 11.527 7.948 842 2HG GLU 118 HG1 GLU 118 -29.693 11.151 9.672 843 H GLN 119 HN GLN 119 -27.666 8.232 7.050 844 HA GLN 119 HA GLN 119 -29.147 7.052 9.304 845 1HB GLN 119 HB2 GLN 119 -28.490 6.469 6.472 846 2HB GLN 119 HB1 GLN 119 -28.712 5.054 7.501 847 1HG GLN 119 HG2 GLN 119 -30.903 5.871 8.212 848 2HG GLN 119 HG1 GLN 119 -30.681 7.348 7.273 849 1HE2 GLN 119 HE21 GLN 119 -32.182 4.376 7.125 850 2HE2 GLN 119 HE22 GLN 119 -32.246 4.182 5.440 Start of MODEL 11 1 1H ALA 1 HT1 ALA 1 21.166 -6.212 -0.674 2 2H ALA 1 HT2 ALA 1 20.900 -5.060 0.546 3 3H ALA 1 HT3 ALA 1 21.822 -6.449 0.872 4 HA ALA 1 HA ALA 1 23.616 -5.712 -0.466 5 1HB ALA 1 HB1 ALA 1 22.044 -4.976 -2.261 6 2HB ALA 1 HB2 ALA 1 23.306 -3.784 -1.951 7 3HB ALA 1 HB3 ALA 1 21.680 -3.532 -1.316 8 H ARG 2 HN ARG 2 23.950 -2.738 -0.514 9 HA ARG 2 HA ARG 2 24.329 -2.359 2.425 10 1HB ARG 2 HB2 ARG 2 26.330 -2.231 1.084 11 2HB ARG 2 HB1 ARG 2 25.553 -1.144 -0.068 12 1HG ARG 2 HG2 ARG 2 25.554 0.662 1.449 13 2HG ARG 2 HG1 ARG 2 25.812 -0.393 2.840 14 1HD ARG 2 HD2 ARG 2 28.045 -0.095 2.637 15 2HD ARG 2 HD1 ARG 2 27.983 -0.789 1.004 16 HE ARG 2 HE ARG 2 27.122 1.629 0.385 17 1HH1 ARG 2 HH21 ARG 2 27.849 2.542 3.217 18 2HH1 ARG 2 HH22 ARG 2 29.399 3.264 2.939 19 1HH2 ARG 2 HH11 ARG 2 29.818 1.800 -0.175 20 2HH2 ARG 2 HH12 ARG 2 30.514 2.842 1.020 21 H ILE 3 HN ILE 3 23.230 -0.716 3.475 22 HA ILE 3 HA ILE 3 21.479 1.046 1.798 23 HB ILE 3 HB ILE 3 20.113 1.152 3.877 24 1HG1 ILE 3 HG12 ILE 3 21.756 -1.031 5.085 25 2HG1 ILE 3 HG11 ILE 3 22.370 0.617 5.220 26 1HG2 ILE 3 HG21 ILE 3 20.217 -1.685 3.872 27 2HG2 ILE 3 HG22 ILE 3 20.619 -1.158 2.238 28 3HG2 ILE 3 HG23 ILE 3 19.104 -0.647 2.982 29 1HD1 ILE 3 HD11 ILE 3 19.486 0.232 5.826 30 2HD1 ILE 3 HD12 ILE 3 20.669 1.283 6.605 31 3HD1 ILE 3 HD13 ILE 3 20.627 -0.437 6.992 32 H HIS 4 HN HIS 4 23.812 2.193 1.721 33 HA HIS 4 HA HIS 4 23.678 4.392 3.718 34 1HB HIS 4 HB2 HIS 4 25.805 2.323 3.394 35 2HB HIS 4 HB1 HIS 4 26.337 3.975 3.706 36 HD1 HIS 4 HD1 HIS 4 26.475 1.522 5.778 37 HD2 HIS 4 HD2 HIS 4 23.649 4.587 5.771 38 HE1 HIS 4 HE1 HIS 4 25.552 1.651 8.133 39 H HIS 5 HN HIS 5 22.865 5.146 1.411 40 HA HIS 5 HA HIS 5 25.074 6.647 0.179 41 1HB HIS 5 HB2 HIS 5 24.821 4.173 -0.737 42 2HB HIS 5 HB1 HIS 5 23.489 4.877 -1.653 43 HD1 HIS 5 HD1 HIS 5 26.695 6.699 -0.808 44 HD2 HIS 5 HD2 HIS 5 24.799 5.049 -4.134 45 HE1 HIS 5 HE1 HIS 5 28.040 7.418 -2.829 46 H HIS 6 HN HIS 6 23.874 7.526 -2.108 47 HA HIS 6 HA HIS 6 21.639 9.140 -1.080 48 1HB HIS 6 HB2 HIS 6 23.428 9.039 -3.485 49 2HB HIS 6 HB1 HIS 6 21.921 9.949 -3.596 50 HD1 HIS 6 HD1 HIS 6 25.269 10.622 -2.941 51 HD2 HIS 6 HD2 HIS 6 21.781 11.569 -0.864 52 HE1 HIS 6 HE1 HIS 6 25.836 12.588 -1.449 53 H HIS 7 HN HIS 7 19.681 8.045 -1.047 54 HA HIS 7 HA HIS 7 18.801 5.862 -2.502 55 1HB HIS 7 HB2 HIS 7 17.545 8.301 -1.324 56 2HB HIS 7 HB1 HIS 7 16.527 7.290 -2.350 57 HD1 HIS 7 HD1 HIS 7 15.302 5.595 -1.010 58 HD2 HIS 7 HD2 HIS 7 19.071 6.364 0.595 59 HE1 HIS 7 HE1 HIS 7 15.533 4.102 1.023 60 H HIS 8 HN HIS 8 18.058 5.499 -4.599 61 HA HIS 8 HA HIS 8 18.513 7.687 -6.561 62 1HB HIS 8 HB2 HIS 8 18.466 4.708 -6.506 63 2HB HIS 8 HB1 HIS 8 18.007 5.480 -8.025 64 HD1 HIS 8 HD1 HIS 8 19.912 6.097 -9.508 65 HD2 HIS 8 HD2 HIS 8 21.102 5.838 -5.521 66 HE1 HIS 8 HE1 HIS 8 22.412 6.500 -9.479 67 H HIS 9 HN HIS 9 15.961 6.772 -4.738 68 HA HIS 9 HA HIS 9 13.947 6.837 -6.935 69 1HB HIS 9 HB2 HIS 9 14.225 5.381 -4.596 70 2HB HIS 9 HB1 HIS 9 13.044 6.612 -4.147 71 HD1 HIS 9 HD1 HIS 9 13.425 3.500 -6.084 72 HD2 HIS 9 HD2 HIS 9 10.688 6.639 -5.907 73 HE1 HIS 9 HE1 HIS 9 11.343 2.705 -7.287 74 H ILE 10 HN ILE 10 14.533 9.217 -7.259 75 HA ILE 10 HA ILE 10 13.994 11.176 -5.215 76 HB ILE 10 HB ILE 10 14.050 12.713 -7.167 77 1HG1 ILE 10 HG12 ILE 10 14.660 10.848 -9.238 78 2HG1 ILE 10 HG11 ILE 10 13.133 10.349 -8.508 79 1HG2 ILE 10 HG21 ILE 10 16.056 10.651 -6.576 80 2HG2 ILE 10 HG22 ILE 10 16.260 12.392 -6.774 81 3HG2 ILE 10 HG23 ILE 10 16.224 11.342 -8.190 82 1HD1 ILE 10 HD11 ILE 10 13.428 12.351 -10.402 83 2HD1 ILE 10 HD12 ILE 10 13.314 13.248 -8.887 84 3HD1 ILE 10 HD13 ILE 10 12.028 12.134 -9.352 85 H GLU 11 HN GLU 11 12.029 11.966 -4.534 86 HA GLU 11 HA GLU 11 9.555 10.862 -5.657 87 1HB GLU 11 HB2 GLU 11 9.750 11.117 -3.277 88 2HB GLU 11 HB1 GLU 11 10.271 12.794 -3.438 89 1HG GLU 11 HG2 GLU 11 8.093 13.473 -4.222 90 2HG GLU 11 HG1 GLU 11 7.555 11.797 -4.335 91 H GLY 12 HN GLY 12 11.101 14.075 -5.455 92 1HA GLY 12 HA2 GLY 12 10.468 15.128 -7.889 93 2HA GLY 12 HA1 GLY 12 8.946 15.315 -7.015 94 H ARG 13 HN ARG 13 8.731 17.112 -5.759 95 HA ARG 13 HA ARG 13 11.210 18.504 -4.824 96 1HB ARG 13 HB2 ARG 13 10.431 19.485 -6.950 97 2HB ARG 13 HB1 ARG 13 8.822 19.710 -6.263 98 1HG ARG 13 HG2 ARG 13 9.486 21.464 -4.920 99 2HG ARG 13 HG1 ARG 13 11.138 20.863 -4.770 100 1HD ARG 13 HD2 ARG 13 10.988 21.383 -7.470 101 2HD ARG 13 HD1 ARG 13 9.995 22.685 -6.786 102 HE ARG 13 HE ARG 13 12.647 22.115 -5.555 103 1HH1 ARG 13 HH11 ARG 13 12.047 23.720 -8.281 104 2HH1 ARG 13 HH12 ARG 13 12.331 25.323 -7.689 105 1HH2 ARG 13 HH21 ARG 13 12.347 24.377 -4.355 106 2HH2 ARG 13 HH22 ARG 13 12.502 25.694 -5.468 107 H ALA 14 HN ALA 14 10.388 17.397 -2.769 108 HA ALA 14 HA ALA 14 8.317 19.125 -1.457 109 1HB ALA 14 HB1 ALA 14 8.167 16.586 -0.291 110 2HB ALA 14 HB2 ALA 14 8.367 16.262 -2.013 111 3HB ALA 14 HB3 ALA 14 7.027 17.263 -1.454 112 HA PRO 15 HA PRO 15 12.115 19.112 1.088 113 1HB PRO 15 HB2 PRO 15 11.846 21.702 1.923 114 2HB PRO 15 HB1 PRO 15 12.607 21.260 0.381 115 1HG PRO 15 HG2 PRO 15 9.876 22.300 0.916 116 2HG PRO 15 HG1 PRO 15 10.965 22.625 -0.442 117 1HD PRO 15 HD2 PRO 15 8.827 20.905 -0.550 118 2HD PRO 15 HD1 PRO 15 10.248 20.806 -1.613 119 H THR 16 HN THR 16 8.869 20.354 1.819 120 HA THR 16 HA THR 16 9.208 19.371 4.635 121 HB THR 16 HB THR 16 7.359 21.267 4.922 122 HG1 THR 16 HG1 THR 16 7.227 22.575 3.293 123 1HG2 THR 16 HG21 THR 16 9.118 21.963 6.146 124 2HG2 THR 16 HG22 THR 16 9.674 22.823 4.710 125 3HG2 THR 16 HG23 THR 16 10.263 21.195 5.046 126 H GLU 17 HN GLU 17 8.283 17.582 2.730 127 HA GLU 17 HA GLU 17 5.658 17.410 1.950 128 1HB GLU 17 HB2 GLU 17 5.937 14.924 2.616 129 2HB GLU 17 HB1 GLU 17 7.138 15.605 1.519 130 1HG GLU 17 HG2 GLU 17 8.778 15.734 3.185 131 2HG GLU 17 HG1 GLU 17 7.591 15.706 4.491 132 H GLN 18 HN GLN 18 4.201 18.531 3.357 133 HA GLN 18 HA GLN 18 3.939 18.350 6.123 134 1HB GLN 18 HB2 GLN 18 2.605 19.490 4.027 135 2HB GLN 18 HB1 GLN 18 1.426 18.296 4.569 136 1HG GLN 18 HG2 GLN 18 2.494 19.498 6.904 137 2HG GLN 18 HG1 GLN 18 2.119 20.809 5.785 138 1HE2 GLN 18 HE21 GLN 18 0.738 18.683 8.069 139 2HE2 GLN 18 HE22 GLN 18 -0.892 18.921 7.660 140 H SER 19 HN SER 19 2.512 16.185 3.664 141 HA SER 19 HA SER 19 1.118 14.490 5.522 142 1HB SER 19 HB2 SER 19 1.212 12.939 3.474 143 2HB SER 19 HB1 SER 19 0.490 14.525 3.220 144 HG SER 19 HG SER 19 1.934 14.387 1.618 145 HA PRO 20 HA PRO 20 4.666 12.329 7.089 146 1HB PRO 20 HB2 PRO 20 3.291 10.399 8.459 147 2HB PRO 20 HB1 PRO 20 3.464 12.064 9.047 148 1HG PRO 20 HG2 PRO 20 1.156 10.763 7.697 149 2HG PRO 20 HG1 PRO 20 1.175 11.950 9.010 150 1HD PRO 20 HD2 PRO 20 0.640 12.574 6.402 151 2HD PRO 20 HD1 PRO 20 1.315 13.724 7.577 152 H GLY 21 HN GLY 21 4.592 9.501 7.476 153 1HA GLY 21 HA2 GLY 21 4.150 8.516 4.685 154 2HA GLY 21 HA1 GLY 21 5.595 8.090 5.602 155 H VAL 22 HN VAL 22 4.630 7.443 8.068 156 HA VAL 22 HA VAL 22 3.083 4.972 7.483 157 HB VAL 22 HB VAL 22 5.309 5.073 8.718 158 1HG1 VAL 22 HG11 VAL 22 4.643 7.151 10.008 159 2HG1 VAL 22 HG12 VAL 22 5.326 5.859 10.995 160 3HG1 VAL 22 HG13 VAL 22 3.583 6.126 10.974 161 1HG2 VAL 22 HG21 VAL 22 3.147 3.963 10.500 162 2HG2 VAL 22 HG22 VAL 22 4.725 3.273 10.117 163 3HG2 VAL 22 HG23 VAL 22 3.440 3.260 8.908 164 H GLN 23 HN GLN 23 1.183 4.449 8.704 165 HA GLN 23 HA GLN 23 0.026 5.871 10.818 166 1HB GLN 23 HB2 GLN 23 -1.644 7.238 9.362 167 2HB GLN 23 HB1 GLN 23 -0.008 7.869 9.543 168 1HG GLN 23 HG2 GLN 23 0.352 7.709 7.325 169 2HG GLN 23 HG1 GLN 23 -0.109 6.006 7.335 170 1HE2 GLN 23 HE21 GLN 23 -0.952 8.859 5.895 171 2HE2 GLN 23 HE22 GLN 23 -2.604 8.576 5.632 172 H ASP 24 HN ASP 24 -1.182 4.118 11.461 173 HA ASP 24 HA ASP 24 -2.457 2.317 9.546 174 1HB ASP 24 HB2 ASP 24 -2.868 2.514 12.540 175 2HB ASP 24 HB1 ASP 24 -2.999 1.077 11.524 176 H CYS 25 HN CYS 25 -3.963 3.753 8.440 177 HA CYS 25 HA CYS 25 -6.534 3.986 9.828 178 1HB CYS 25 HB2 CYS 25 -6.363 6.149 10.438 179 2HB CYS 25 HB1 CYS 25 -4.664 6.075 9.996 180 H TYR 26 HN TYR 26 -8.256 4.213 8.357 181 HA TYR 26 HA TYR 26 -7.646 4.678 5.489 182 1HB TYR 26 HB2 TYR 26 -8.474 2.526 4.824 183 2HB TYR 26 HB1 TYR 26 -7.341 2.220 6.140 184 HD1 TYR 26 HD1 TYR 26 -10.955 2.622 5.332 185 HD2 TYR 26 HD2 TYR 26 -8.055 1.217 8.171 186 HE1 TYR 26 HE1 TYR 26 -12.759 1.520 6.628 187 HE2 TYR 26 HE2 TYR 26 -9.859 0.113 9.468 188 HH TYR 26 HH TYR 26 -12.304 -0.818 8.787 189 H HIS 27 HN HIS 27 -9.733 4.848 4.226 190 HA HIS 27 HA HIS 27 -11.941 5.832 6.002 191 1HB HIS 27 HB2 HIS 27 -10.655 7.448 4.534 192 2HB HIS 27 HB1 HIS 27 -11.302 6.587 3.136 193 HD1 HIS 27 HD1 HIS 27 -12.531 8.936 2.602 194 HD2 HIS 27 HD2 HIS 27 -13.868 6.915 5.995 195 HE1 HIS 27 HE1 HIS 27 -14.771 9.952 3.205 196 H GLY 28 HN GLY 28 -13.987 4.976 5.683 197 1HA GLY 28 HA2 GLY 28 -15.692 3.638 4.781 198 2HA GLY 28 HA1 GLY 28 -14.848 3.729 3.236 199 H ASP 29 HN ASP 29 -13.298 2.112 2.724 200 HA ASP 29 HA ASP 29 -13.158 -0.208 4.599 201 1HB ASP 29 HB2 ASP 29 -14.106 0.005 1.780 202 2HB ASP 29 HB1 ASP 29 -13.274 -1.473 2.265 203 H GLY 30 HN GLY 30 -11.351 2.082 3.405 204 1HA GLY 30 HA2 GLY 30 -9.034 2.219 3.020 205 2HA GLY 30 HA1 GLY 30 -8.927 0.494 3.392 206 H GLN 31 HN GLN 31 -11.334 0.646 1.173 207 HA GLN 31 HA GLN 31 -9.822 -0.552 -0.934 208 1HB GLN 31 HB2 GLN 31 -12.517 0.186 -0.296 209 2HB GLN 31 HB1 GLN 31 -12.173 0.731 -1.939 210 1HG GLN 31 HG2 GLN 31 -11.441 -1.496 -2.581 211 2HG GLN 31 HG1 GLN 31 -11.605 -2.067 -0.921 212 1HE2 GLN 31 HE21 GLN 31 -13.874 -2.069 -0.006 213 2HE2 GLN 31 HE22 GLN 31 -15.184 -2.255 -1.068 214 H SER 32 HN SER 32 -10.753 2.816 -0.332 215 HA SER 32 HA SER 32 -9.540 3.701 -2.886 216 1HB SER 32 HB2 SER 32 -10.678 5.707 -2.430 217 2HB SER 32 HB1 SER 32 -11.719 4.513 -1.660 218 HG SER 32 HG SER 32 -10.287 6.536 -0.564 219 H TYR 33 HN TYR 33 -7.998 2.550 -0.463 220 HA TYR 33 HA TYR 33 -6.525 4.560 0.878 221 1HB TYR 33 HB2 TYR 33 -6.565 2.065 1.271 222 2HB TYR 33 HB1 TYR 33 -5.513 1.884 -0.134 223 HD1 TYR 33 HD1 TYR 33 -5.591 2.357 3.373 224 HD2 TYR 33 HD2 TYR 33 -3.355 3.419 -0.137 225 HE1 TYR 33 HE1 TYR 33 -3.628 2.894 4.788 226 HE2 TYR 33 HE2 TYR 33 -1.391 3.954 1.279 227 HH TYR 33 HH TYR 33 -1.577 4.356 4.604 228 H ARG 34 HN ARG 34 -4.695 5.766 0.315 229 HA ARG 34 HA ARG 34 -3.761 5.526 -2.529 230 1HB ARG 34 HB2 ARG 34 -5.168 7.531 -1.906 231 2HB ARG 34 HB1 ARG 34 -3.898 7.998 -0.774 232 1HG ARG 34 HG2 ARG 34 -2.690 8.913 -2.436 233 2HG ARG 34 HG1 ARG 34 -2.732 7.401 -3.344 234 1HD ARG 34 HD2 ARG 34 -5.244 9.009 -3.340 235 2HD ARG 34 HD1 ARG 34 -3.884 9.643 -4.288 236 HE ARG 34 HE ARG 34 -3.826 7.506 -5.513 237 1HH1 ARG 34 HH11 ARG 34 -6.726 8.650 -5.499 238 2HH1 ARG 34 HH12 ARG 34 -7.623 7.183 -5.287 239 1HH2 ARG 34 HH21 ARG 34 -4.864 5.325 -4.310 240 2HH2 ARG 34 HH22 ARG 34 -6.569 5.301 -4.614 241 H GLY 35 HN GLY 35 -1.982 4.134 -1.865 242 1HA GLY 35 HA2 GLY 35 0.498 5.206 -1.494 243 2HA GLY 35 HA1 GLY 35 -0.097 5.106 0.163 244 H SER 36 HN SER 36 2.124 3.616 -0.609 245 HA SER 36 HA SER 36 1.189 0.854 -1.159 246 1HB SER 36 HB2 SER 36 3.962 1.986 -0.681 247 2HB SER 36 HB1 SER 36 3.576 0.426 -1.402 248 HG SER 36 HG SER 36 3.975 2.557 -2.714 249 H PHE 37 HN PHE 37 0.047 1.263 1.155 250 HA PHE 37 HA PHE 37 1.685 1.101 3.524 251 1HB PHE 37 HB2 PHE 37 -0.772 1.792 3.205 252 2HB PHE 37 HB1 PHE 37 -1.132 0.066 3.184 253 HD1 PHE 37 HD1 PHE 37 -1.380 -1.118 5.202 254 HD2 PHE 37 HD2 PHE 37 0.607 2.690 5.212 255 HE1 PHE 37 HE1 PHE 37 -1.297 -1.167 7.680 256 HE2 PHE 37 HE2 PHE 37 0.690 2.640 7.690 257 HZ PHE 37 HZ PHE 37 -0.262 0.711 8.925 258 H SER 38 HN SER 38 2.968 -0.725 2.058 259 HA SER 38 HA SER 38 1.991 -3.411 2.097 260 1HB SER 38 HB2 SER 38 4.374 -3.906 1.711 261 2HB SER 38 HB1 SER 38 3.859 -2.515 0.760 262 HG SER 38 HG SER 38 5.156 -1.295 1.879 263 H THR 39 HN THR 39 1.360 -2.405 4.709 264 HA THR 39 HA THR 39 3.310 -3.895 6.429 265 HB THR 39 HB THR 39 1.390 -1.637 7.100 266 HG1 THR 39 HG1 THR 39 3.112 -0.962 5.798 267 1HG2 THR 39 HG21 THR 39 3.407 -3.217 8.682 268 2HG2 THR 39 HG22 THR 39 1.739 -2.823 9.101 269 3HG2 THR 39 HG23 THR 39 2.980 -1.571 9.153 270 H THR 40 HN THR 40 2.462 -5.791 7.211 271 HA THR 40 HA THR 40 -0.380 -6.402 6.887 272 HB THR 40 HB THR 40 0.339 -8.597 7.716 273 HG1 THR 40 HG1 THR 40 1.695 -8.108 9.350 274 1HG2 THR 40 HG21 THR 40 1.326 -9.018 5.736 275 2HG2 THR 40 HG22 THR 40 2.768 -8.120 6.209 276 3HG2 THR 40 HG23 THR 40 1.406 -7.276 5.472 277 H VAL 41 HN VAL 41 -1.688 -7.218 8.743 278 HA VAL 41 HA VAL 41 -2.042 -5.376 10.824 279 HB VAL 41 HB VAL 41 -2.624 -8.334 10.549 280 1HG1 VAL 41 HG11 VAL 41 -4.163 -8.100 12.444 281 2HG1 VAL 41 HG12 VAL 41 -3.685 -6.415 12.648 282 3HG1 VAL 41 HG13 VAL 41 -2.522 -7.705 12.955 283 1HG2 VAL 41 HG21 VAL 41 -4.087 -5.753 10.043 284 2HG2 VAL 41 HG22 VAL 41 -4.996 -7.224 10.386 285 3HG2 VAL 41 HG23 VAL 41 -3.921 -7.158 8.990 286 H THR 42 HN THR 42 0.066 -8.230 10.725 287 HA THR 42 HA THR 42 0.804 -8.060 13.547 288 HB THR 42 HB THR 42 2.155 -9.481 11.231 289 HG1 THR 42 HG1 THR 42 0.083 -10.165 11.210 290 1HG2 THR 42 HG21 THR 42 3.206 -9.263 13.618 291 2HG2 THR 42 HG22 THR 42 3.166 -10.844 12.837 292 3HG2 THR 42 HG23 THR 42 1.974 -10.440 14.073 293 H GLY 43 HN GLY 43 1.688 -6.324 10.751 294 1HA GLY 43 HA2 GLY 43 3.166 -4.423 10.800 295 2HA GLY 43 HA1 GLY 43 3.971 -5.117 12.208 296 H ARG 44 HN ARG 44 3.444 -7.486 9.868 297 HA ARG 44 HA ARG 44 6.289 -7.742 9.312 298 1HB ARG 44 HB2 ARG 44 4.074 -9.370 9.374 299 2HB ARG 44 HB1 ARG 44 4.342 -9.197 7.639 300 1HG ARG 44 HG2 ARG 44 5.885 -10.837 7.889 301 2HG ARG 44 HG1 ARG 44 6.902 -9.584 8.600 302 1HD ARG 44 HD2 ARG 44 6.935 -11.070 10.370 303 2HD ARG 44 HD1 ARG 44 5.410 -10.254 10.771 304 HE ARG 44 HE ARG 44 4.563 -12.154 9.007 305 1HH1 ARG 44 HH11 ARG 44 7.030 -13.740 9.666 306 2HH1 ARG 44 HH12 ARG 44 6.484 -14.720 10.985 307 1HH2 ARG 44 HH21 ARG 44 3.681 -12.779 11.615 308 2HH2 ARG 44 HH22 ARG 44 4.588 -14.176 12.087 309 H THR 45 HN THR 45 6.523 -8.374 6.685 310 HA THR 45 HA THR 45 5.879 -5.800 5.292 311 HB THR 45 HB THR 45 8.096 -7.847 5.103 312 HG1 THR 45 HG1 THR 45 8.723 -5.210 5.142 313 1HG2 THR 45 HG21 THR 45 7.760 -7.418 2.827 314 2HG2 THR 45 HG22 THR 45 8.934 -6.180 3.271 315 3HG2 THR 45 HG23 THR 45 7.228 -5.762 3.118 316 H CYS 46 HN CYS 46 4.373 -5.962 3.664 317 HA CYS 46 HA CYS 46 3.109 -8.356 2.883 318 1HB CYS 46 HB2 CYS 46 2.002 -6.290 2.532 319 2HB CYS 46 HB1 CYS 46 3.385 -5.605 1.680 320 H GLN 47 HN GLN 47 3.408 -9.732 1.086 321 HA GLN 47 HA GLN 47 6.114 -9.704 -0.109 322 1HB GLN 47 HB2 GLN 47 5.369 -11.806 0.711 323 2HB GLN 47 HB1 GLN 47 3.773 -11.614 -0.011 324 1HG GLN 47 HG2 GLN 47 5.010 -13.173 -1.381 325 2HG GLN 47 HG1 GLN 47 4.888 -11.659 -2.277 326 1HE2 GLN 47 HE21 GLN 47 7.088 -14.027 -1.446 327 2HE2 GLN 47 HE22 GLN 47 8.519 -13.119 -1.540 328 H SER 48 HN SER 48 6.468 -9.103 -2.250 329 HA SER 48 HA SER 48 4.836 -7.553 -3.830 330 1HB SER 48 HB2 SER 48 7.159 -9.264 -4.136 331 2HB SER 48 HB1 SER 48 6.185 -9.262 -5.603 332 HG SER 48 HG SER 48 7.228 -7.025 -4.197 333 H TRP 49 HN TRP 49 2.928 -7.912 -4.972 334 HA TRP 49 HA TRP 49 1.420 -10.301 -4.761 335 1HB TRP 49 HB2 TRP 49 1.497 -8.225 -6.982 336 2HB TRP 49 HB1 TRP 49 0.176 -9.353 -6.696 337 HD1 TRP 49 HD1 TRP 49 1.493 -6.029 -5.646 338 HE1 TRP 49 HE1 TRP 49 -0.018 -5.038 -3.826 339 HE3 TRP 49 HE3 TRP 49 -1.312 -10.084 -4.507 340 HZ2 TRP 49 HZ2 TRP 49 -2.122 -5.843 -2.098 341 HZ3 TRP 49 HZ3 TRP 49 -3.076 -9.977 -2.768 342 HH2 TRP 49 HH2 TRP 49 -3.487 -7.850 -1.556 343 H SER 50 HN SER 50 3.860 -9.229 -7.035 344 HA SER 50 HA SER 50 3.639 -11.491 -8.858 345 1HB SER 50 HB2 SER 50 4.381 -9.107 -9.316 346 2HB SER 50 HB1 SER 50 5.872 -9.486 -8.460 347 HG SER 50 HG SER 50 5.765 -11.416 -10.044 348 H SER 51 HN SER 51 4.306 -11.968 -5.864 349 HA SER 51 HA SER 51 7.039 -13.076 -5.993 350 1HB SER 51 HB2 SER 51 4.894 -13.035 -3.843 351 2HB SER 51 HB1 SER 51 6.558 -13.562 -3.601 352 HG SER 51 HG SER 51 7.240 -11.532 -3.781 353 H MET 52 HN MET 52 7.387 -15.169 -6.598 354 HA MET 52 HA MET 52 5.065 -17.085 -6.544 355 1HB MET 52 HB2 MET 52 7.336 -16.535 -8.431 356 2HB MET 52 HB1 MET 52 6.502 -18.087 -8.452 357 1HG MET 52 HG2 MET 52 5.155 -16.939 -9.912 358 2HG MET 52 HG1 MET 52 4.366 -16.493 -8.404 359 1HE MET 52 HE1 MET 52 4.507 -13.659 -11.125 360 2HE MET 52 HE2 MET 52 3.382 -14.264 -9.910 361 3HE MET 52 HE3 MET 52 4.152 -15.389 -11.026 362 H THR 53 HN THR 53 7.832 -16.421 -4.861 363 HA THR 53 HA THR 53 9.110 -19.055 -4.903 364 HB THR 53 HB THR 53 9.994 -17.641 -2.670 365 HG1 THR 53 HG1 THR 53 9.824 -15.723 -4.669 366 1HG2 THR 53 HG21 THR 53 10.914 -17.526 -5.555 367 2HG2 THR 53 HG22 THR 53 11.423 -18.699 -4.341 368 3HG2 THR 53 HG23 THR 53 11.876 -17.002 -4.173 369 HA PRO 54 HA PRO 54 7.306 -19.571 -0.545 370 1HB PRO 54 HB2 PRO 54 5.772 -17.564 0.517 371 2HB PRO 54 HB1 PRO 54 7.536 -17.635 0.703 372 1HG PRO 54 HG2 PRO 54 5.896 -16.001 -1.168 373 2HG PRO 54 HG1 PRO 54 7.371 -15.574 -0.290 374 1HD PRO 54 HD2 PRO 54 7.337 -16.242 -2.932 375 2HD PRO 54 HD1 PRO 54 8.738 -16.501 -1.870 376 H HIS 55 HN HIS 55 4.648 -17.348 -1.080 377 HA HIS 55 HA HIS 55 2.928 -19.668 -1.882 378 1HB HIS 55 HB2 HIS 55 1.574 -17.191 -1.084 379 2HB HIS 55 HB1 HIS 55 1.382 -18.816 -0.438 380 HD1 HIS 55 HD1 HIS 55 3.655 -15.791 -0.110 381 HD2 HIS 55 HD2 HIS 55 2.639 -19.224 2.025 382 HE1 HIS 55 HE1 HIS 55 4.804 -15.603 2.133 383 H TRP 56 HN TRP 56 3.382 -19.485 -4.182 384 HA TRP 56 HA TRP 56 3.437 -17.153 -5.728 385 1HB TRP 56 HB2 TRP 56 3.887 -19.477 -6.524 386 2HB TRP 56 HB1 TRP 56 2.161 -19.830 -6.422 387 HD1 TRP 56 HD1 TRP 56 0.814 -17.481 -7.701 388 HE1 TRP 56 HE1 TRP 56 1.154 -16.767 -10.099 389 HE3 TRP 56 HE3 TRP 56 5.251 -19.760 -8.660 390 HZ2 TRP 56 HZ2 TRP 56 3.002 -17.129 -12.218 391 HZ3 TRP 56 HZ3 TRP 56 6.279 -19.540 -10.908 392 HH2 TRP 56 HH2 TRP 56 5.164 -18.247 -12.688 393 H HIS 57 HN HIS 57 1.888 -15.692 -6.416 394 HA HIS 57 HA HIS 57 -0.917 -16.183 -5.502 395 1HB HIS 57 HB2 HIS 57 -0.931 -13.980 -4.878 396 2HB HIS 57 HB1 HIS 57 0.820 -14.146 -4.943 397 HD1 HIS 57 HD1 HIS 57 1.183 -14.145 -8.036 398 HD2 HIS 57 HD2 HIS 57 -1.215 -11.427 -5.974 399 HE1 HIS 57 HE1 HIS 57 0.942 -12.118 -9.536 400 H GLN 58 HN GLN 58 -2.606 -15.131 -6.973 401 HA GLN 58 HA GLN 58 -1.785 -15.250 -9.854 402 1HB GLN 58 HB2 GLN 58 -3.992 -16.654 -8.349 403 2HB GLN 58 HB1 GLN 58 -4.140 -16.358 -10.082 404 1HG GLN 58 HG2 GLN 58 -1.643 -17.618 -8.967 405 2HG GLN 58 HG1 GLN 58 -3.071 -18.603 -9.288 406 1HE2 GLN 58 HE21 GLN 58 -4.061 -17.404 -11.635 407 2HE2 GLN 58 HE22 GLN 58 -2.920 -17.572 -12.882 408 H ARG 59 HN ARG 59 -1.957 -12.816 -8.633 409 HA ARG 59 HA ARG 59 -4.339 -11.622 -9.921 410 1HB ARG 59 HB2 ARG 59 -3.988 -12.094 -7.048 411 2HB ARG 59 HB1 ARG 59 -4.317 -10.402 -7.422 412 1HG ARG 59 HG2 ARG 59 -6.494 -10.956 -7.599 413 2HG ARG 59 HG1 ARG 59 -6.072 -11.850 -9.060 414 1HD ARG 59 HD2 ARG 59 -5.589 -13.862 -7.671 415 2HD ARG 59 HD1 ARG 59 -6.106 -12.962 -6.231 416 HE ARG 59 HE ARG 59 -8.087 -12.804 -8.339 417 1HH1 ARG 59 HH11 ARG 59 -7.321 -15.768 -7.871 418 2HH1 ARG 59 HH12 ARG 59 -8.544 -16.227 -6.734 419 1HH2 ARG 59 HH21 ARG 59 -9.450 -12.964 -5.988 420 2HH2 ARG 59 HH22 ARG 59 -9.749 -14.640 -5.667 421 H THR 60 HN THR 60 -1.414 -11.523 -10.321 422 HA THR 60 HA THR 60 -0.039 -9.322 -9.293 423 HB THR 60 HB THR 60 1.012 -10.788 -10.857 424 HG1 THR 60 HG1 THR 60 1.912 -8.909 -11.307 425 1HG2 THR 60 HG21 THR 60 -1.359 -10.112 -12.578 426 2HG2 THR 60 HG22 THR 60 -0.781 -11.702 -12.082 427 3HG2 THR 60 HG23 THR 60 0.114 -10.776 -13.286 428 H THR 61 HN THR 61 0.448 -7.313 -10.740 429 HA THR 61 HA THR 61 -2.013 -5.767 -10.977 430 HB THR 61 HB THR 61 -0.025 -4.238 -12.041 431 HG1 THR 61 HG1 THR 61 1.901 -4.858 -11.214 432 1HG2 THR 61 HG21 THR 61 0.226 -3.323 -9.827 433 2HG2 THR 61 HG22 THR 61 -0.282 -4.843 -9.089 434 3HG2 THR 61 HG23 THR 61 -1.443 -3.869 -9.992 435 H GLU 62 HN GLU 62 -0.245 -7.899 -12.990 436 HA GLU 62 HA GLU 62 -0.668 -6.676 -15.538 437 1HB GLU 62 HB2 GLU 62 0.919 -8.493 -15.208 438 2HB GLU 62 HB1 GLU 62 -0.362 -9.546 -14.608 439 1HG GLU 62 HG2 GLU 62 -0.649 -10.265 -16.724 440 2HG GLU 62 HG1 GLU 62 -1.276 -8.662 -17.109 441 H TYR 63 HN TYR 63 -2.603 -8.508 -13.325 442 HA TYR 63 HA TYR 63 -4.790 -8.874 -15.260 443 1HB TYR 63 HB2 TYR 63 -3.868 -10.322 -13.156 444 2HB TYR 63 HB1 TYR 63 -5.135 -9.392 -12.354 445 HD1 TYR 63 HD1 TYR 63 -7.215 -10.423 -12.268 446 HD2 TYR 63 HD2 TYR 63 -4.671 -11.127 -15.655 447 HE1 TYR 63 HE1 TYR 63 -8.936 -11.915 -13.249 448 HE2 TYR 63 HE2 TYR 63 -6.391 -12.619 -16.637 449 HH TYR 63 HH TYR 63 -8.305 -13.747 -16.211 450 H TYR 64 HN TYR 64 -3.611 -6.419 -13.308 451 HA TYR 64 HA TYR 64 -6.279 -5.063 -13.285 452 1HB TYR 64 HB2 TYR 64 -4.492 -5.844 -11.039 453 2HB TYR 64 HB1 TYR 64 -5.201 -4.232 -10.940 454 HD1 TYR 64 HD1 TYR 64 -7.667 -3.938 -10.956 455 HD2 TYR 64 HD2 TYR 64 -5.847 -7.827 -10.831 456 HE1 TYR 64 HE1 TYR 64 -9.827 -4.927 -10.244 457 HE2 TYR 64 HE2 TYR 64 -8.007 -8.815 -10.119 458 HH TYR 64 HH TYR 64 -10.236 -7.594 -8.786 459 HA PRO 65 HA PRO 65 -3.159 -2.250 -15.018 460 1HB PRO 65 HB2 PRO 65 -4.932 -0.873 -16.580 461 2HB PRO 65 HB1 PRO 65 -4.202 -2.413 -17.076 462 1HG PRO 65 HG2 PRO 65 -6.913 -1.867 -15.990 463 2HG PRO 65 HG1 PRO 65 -6.403 -3.026 -17.226 464 1HD PRO 65 HD2 PRO 65 -6.963 -3.694 -14.625 465 2HD PRO 65 HD1 PRO 65 -5.891 -4.631 -15.688 466 H ASN 66 HN ASN 66 -5.867 -1.862 -13.007 467 HA ASN 66 HA ASN 66 -5.001 0.921 -12.331 468 1HB ASN 66 HB2 ASN 66 -7.748 -0.148 -12.997 469 2HB ASN 66 HB1 ASN 66 -7.544 1.327 -12.052 470 1HD2 ASN 66 HD21 ASN 66 -8.232 2.840 -13.664 471 2HD2 ASN 66 HD22 ASN 66 -7.407 3.064 -15.130 472 H GLY 67 HN GLY 67 -4.213 -1.342 -10.875 473 1HA GLY 67 HA2 GLY 67 -6.103 -1.615 -8.612 474 2HA GLY 67 HA1 GLY 67 -4.616 -2.540 -8.832 475 H GLY 68 HN GLY 68 -2.680 -0.679 -9.105 476 1HA GLY 68 HA2 GLY 68 -1.616 1.204 -8.067 477 2HA GLY 68 HA1 GLY 68 -2.982 1.332 -6.956 478 H LEU 69 HN LEU 69 -2.033 -1.877 -7.248 479 HA LEU 69 HA LEU 69 -0.437 -1.685 -4.719 480 1HB LEU 69 HB2 LEU 69 -1.382 -3.970 -4.328 481 2HB LEU 69 HB1 LEU 69 -2.612 -2.735 -4.490 482 HG LEU 69 HG LEU 69 -1.983 -3.750 -7.093 483 1HD1 LEU 69 HD11 LEU 69 -2.568 -5.785 -4.931 484 2HD1 LEU 69 HD12 LEU 69 -1.265 -5.811 -6.118 485 3HD1 LEU 69 HD13 LEU 69 -2.930 -6.083 -6.631 486 1HD2 LEU 69 HD21 LEU 69 -4.406 -4.231 -7.081 487 2HD2 LEU 69 HD22 LEU 69 -4.081 -2.637 -6.400 488 3HD2 LEU 69 HD23 LEU 69 -4.447 -3.993 -5.334 489 H THR 70 HN THR 70 0.428 -1.652 -7.613 490 HA THR 70 HA THR 70 1.565 -4.029 -8.546 491 HB THR 70 HB THR 70 1.593 -1.805 -9.661 492 HG1 THR 70 HG1 THR 70 3.294 -2.408 -10.737 493 1HG2 THR 70 HG21 THR 70 3.610 -1.217 -7.486 494 2HG2 THR 70 HG22 THR 70 2.129 -0.334 -7.857 495 3HG2 THR 70 HG23 THR 70 3.500 -0.260 -8.964 496 H ARG 71 HN ARG 71 3.558 -5.111 -8.141 497 HA ARG 71 HA ARG 71 5.476 -5.763 -6.916 498 1HB ARG 71 HB2 ARG 71 5.722 -3.165 -7.097 499 2HB ARG 71 HB1 ARG 71 5.239 -3.169 -5.401 500 1HG ARG 71 HG2 ARG 71 7.102 -5.104 -5.301 501 2HG ARG 71 HG1 ARG 71 7.742 -4.180 -6.660 502 1HD ARG 71 HD2 ARG 71 7.260 -2.116 -5.038 503 2HD ARG 71 HD1 ARG 71 7.449 -3.366 -3.793 504 HE ARG 71 HE ARG 71 9.633 -3.948 -5.039 505 1HH1 ARG 71 HH21 ARG 71 8.460 -0.874 -4.203 506 2HH1 ARG 71 HH22 ARG 71 9.799 -0.005 -4.876 507 1HH2 ARG 71 HH11 ARG 71 11.255 -2.817 -6.291 508 2HH2 ARG 71 HH12 ARG 71 11.382 -1.105 -6.057 509 H ASN 72 HN ASN 72 5.458 -4.389 -4.004 510 HA ASN 72 HA ASN 72 3.806 -6.565 -2.794 511 1HB ASN 72 HB2 ASN 72 5.300 -6.337 -0.945 512 2HB ASN 72 HB1 ASN 72 6.316 -6.177 -2.379 513 1HD2 ASN 72 HD21 ASN 72 4.399 -4.092 -0.142 514 2HD2 ASN 72 HD22 ASN 72 5.481 -2.786 -0.187 515 H TYR 73 HN TYR 73 3.230 -3.478 -3.690 516 HA TYR 73 HA TYR 73 2.466 -1.970 -1.455 517 1HB TYR 73 HB2 TYR 73 1.265 -2.372 -4.204 518 2HB TYR 73 HB1 TYR 73 0.612 -1.178 -3.086 519 HD1 TYR 73 HD1 TYR 73 1.269 0.466 -4.954 520 HD2 TYR 73 HD2 TYR 73 4.138 -1.776 -2.673 521 HE1 TYR 73 HE1 TYR 73 3.048 2.060 -5.622 522 HE2 TYR 73 HE2 TYR 73 5.915 -0.182 -3.341 523 HH TYR 73 HH TYR 73 5.371 2.786 -4.521 524 H CYS 74 HN CYS 74 0.485 -1.791 -0.296 525 HA CYS 74 HA CYS 74 -1.045 -4.348 -0.073 526 1HB CYS 74 HB2 CYS 74 0.138 -3.486 1.908 527 2HB CYS 74 HB1 CYS 74 -0.717 -1.950 1.761 528 H ARG 75 HN ARG 75 -3.055 -4.348 -0.972 529 HA ARG 75 HA ARG 75 -4.597 -1.780 -1.052 530 1HB ARG 75 HB2 ARG 75 -3.498 -3.436 -3.172 531 2HB ARG 75 HB1 ARG 75 -5.243 -3.279 -3.338 532 1HG ARG 75 HG2 ARG 75 -3.850 -1.453 -4.488 533 2HG ARG 75 HG1 ARG 75 -5.125 -0.889 -3.414 534 1HD ARG 75 HD2 ARG 75 -3.581 -0.346 -1.681 535 2HD ARG 75 HD1 ARG 75 -2.280 -1.277 -2.450 536 HE ARG 75 HE ARG 75 -1.951 0.519 -3.971 537 1HH1 ARG 75 HH21 ARG 75 -2.722 2.402 -1.832 538 2HH1 ARG 75 HH22 ARG 75 -4.013 3.303 -2.554 539 1HH2 ARG 75 HH11 ARG 75 -4.566 0.991 -5.080 540 2HH2 ARG 75 HH12 ARG 75 -5.057 2.504 -4.394 541 H ASN 76 HN ASN 76 -6.991 -2.316 -1.581 542 HA ASN 76 HA ASN 76 -7.758 -4.889 -0.238 543 1HB ASN 76 HB2 ASN 76 -8.076 -2.642 0.969 544 2HB ASN 76 HB1 ASN 76 -9.311 -2.293 -0.241 545 1HD2 ASN 76 HD21 ASN 76 -10.771 -2.331 1.788 546 2HD2 ASN 76 HD22 ASN 76 -11.381 -3.837 2.280 547 HA PRO 77 HA PRO 77 -9.594 -4.582 -4.517 548 1HB PRO 77 HB2 PRO 77 -8.658 -6.993 -5.417 549 2HB PRO 77 HB1 PRO 77 -7.744 -5.479 -5.577 550 1HG PRO 77 HG2 PRO 77 -7.427 -7.682 -3.604 551 2HG PRO 77 HG1 PRO 77 -6.195 -6.692 -4.400 552 1HD PRO 77 HD2 PRO 77 -7.033 -6.297 -1.827 553 2HD PRO 77 HD1 PRO 77 -6.363 -5.013 -2.857 554 H ASP 78 HN ASP 78 -11.095 -5.113 -2.309 555 HA ASP 78 HA ASP 78 -12.777 -7.357 -3.184 556 1HB ASP 78 HB2 ASP 78 -10.884 -7.456 -0.898 557 2HB ASP 78 HB1 ASP 78 -12.505 -8.071 -0.569 558 H ALA 79 HN ALA 79 -12.680 -6.326 0.158 559 HA ALA 79 HA ALA 79 -14.191 -3.997 0.222 560 1HB ALA 79 HB1 ALA 79 -15.711 -6.431 -0.584 561 2HB ALA 79 HB2 ALA 79 -15.973 -4.747 -1.036 562 3HB ALA 79 HB3 ALA 79 -16.511 -5.331 0.539 563 H GLU 80 HN GLU 80 -12.380 -5.441 1.911 564 HA GLU 80 HA GLU 80 -13.999 -6.364 4.227 565 1HB GLU 80 HB2 GLU 80 -10.995 -6.133 4.093 566 2HB GLU 80 HB1 GLU 80 -11.969 -7.302 4.983 567 1HG GLU 80 HG2 GLU 80 -11.668 -7.162 1.971 568 2HG GLU 80 HG1 GLU 80 -10.941 -8.369 3.032 569 H ILE 81 HN ILE 81 -12.512 -5.569 6.362 570 HA ILE 81 HA ILE 81 -13.291 -2.869 6.847 571 HB ILE 81 HB ILE 81 -11.661 -3.166 8.779 572 1HG1 ILE 81 HG12 ILE 81 -11.205 -5.927 8.594 573 2HG1 ILE 81 HG11 ILE 81 -10.772 -5.285 7.010 574 1HG2 ILE 81 HG21 ILE 81 -13.790 -3.851 9.379 575 2HG2 ILE 81 HG22 ILE 81 -12.925 -5.381 9.528 576 3HG2 ILE 81 HG23 ILE 81 -13.880 -5.045 8.084 577 1HD1 ILE 81 HD11 ILE 81 -8.789 -4.783 8.004 578 2HD1 ILE 81 HD12 ILE 81 -9.475 -4.866 9.627 579 3HD1 ILE 81 HD13 ILE 81 -9.671 -3.404 8.660 580 H SER 82 HN SER 82 -10.384 -4.286 5.494 581 HA SER 82 HA SER 82 -9.467 -1.678 4.519 582 1HB SER 82 HB2 SER 82 -7.964 -1.245 6.162 583 2HB SER 82 HB1 SER 82 -8.754 -2.513 7.095 584 HG SER 82 HG SER 82 -6.303 -2.514 6.299 585 HA PRO 83 HA PRO 83 -7.241 -4.147 1.655 586 1HB PRO 83 HB2 PRO 83 -4.696 -3.149 1.594 587 2HB PRO 83 HB1 PRO 83 -6.092 -2.281 0.925 588 1HG PRO 83 HG2 PRO 83 -4.676 -1.881 3.506 589 2HG PRO 83 HG1 PRO 83 -5.386 -0.687 2.409 590 1HD PRO 83 HD2 PRO 83 -6.573 -1.534 4.726 591 2HD PRO 83 HD1 PRO 83 -7.465 -0.889 3.331 592 H TRP 84 HN TRP 84 -5.641 -5.842 1.361 593 HA TRP 84 HA TRP 84 -4.344 -6.794 3.893 594 1HB TRP 84 HB2 TRP 84 -4.968 -9.121 2.792 595 2HB TRP 84 HB1 TRP 84 -6.183 -8.229 3.705 596 HD1 TRP 84 HD1 TRP 84 -7.834 -6.607 2.174 597 HE1 TRP 84 HE1 TRP 84 -8.829 -7.075 -0.157 598 HE3 TRP 84 HE3 TRP 84 -4.666 -10.285 0.581 599 HZ2 TRP 84 HZ2 TRP 84 -8.346 -8.781 -2.399 600 HZ3 TRP 84 HZ3 TRP 84 -4.960 -11.311 -1.656 601 HH2 TRP 84 HH2 TRP 84 -6.794 -10.566 -3.146 602 H CYS 85 HN CYS 85 -2.737 -8.737 3.142 603 HA CYS 85 HA CYS 85 -1.585 -8.406 0.478 604 1HB CYS 85 HB2 CYS 85 -1.007 -6.476 2.394 605 2HB CYS 85 HB1 CYS 85 0.390 -7.550 2.460 606 H TYR 86 HN TYR 86 0.015 -9.986 0.059 607 HA TYR 86 HA TYR 86 0.062 -12.320 1.768 608 1HB TYR 86 HB2 TYR 86 1.957 -11.546 -0.474 609 2HB TYR 86 HB1 TYR 86 1.524 -13.175 0.041 610 HD1 TYR 86 HD1 TYR 86 1.250 -12.187 -2.803 611 HD2 TYR 86 HD2 TYR 86 -1.498 -12.132 0.499 612 HE1 TYR 86 HE1 TYR 86 -0.656 -12.196 -4.385 613 HE2 TYR 86 HE2 TYR 86 -3.402 -12.143 -1.084 614 HH TYR 86 HH TYR 86 -3.239 -13.031 -4.150 615 H THR 87 HN THR 87 2.191 -13.202 2.662 616 HA THR 87 HA THR 87 3.735 -10.960 3.900 617 HB THR 87 HB THR 87 4.467 -13.177 5.250 618 HG1 THR 87 HG1 THR 87 3.338 -14.752 4.452 619 1HG2 THR 87 HG21 THR 87 3.253 -12.233 6.904 620 2HG2 THR 87 HG22 THR 87 1.749 -12.363 5.992 621 3HG2 THR 87 HG23 THR 87 2.840 -11.006 5.706 622 H MET 88 HN MET 88 5.891 -10.716 3.434 623 HA MET 88 HA MET 88 7.132 -12.066 1.242 624 1HB MET 88 HB2 MET 88 9.158 -10.874 2.134 625 2HB MET 88 HB1 MET 88 7.743 -9.834 1.981 626 1HG MET 88 HG2 MET 88 7.679 -9.447 4.202 627 2HG MET 88 HG1 MET 88 7.821 -11.165 4.571 628 1HE MET 88 HE1 MET 88 8.629 -9.895 6.458 629 2HE MET 88 HE2 MET 88 9.898 -8.674 6.404 630 3HE MET 88 HE3 MET 88 10.300 -10.332 6.843 631 H ASP 89 HN ASP 89 6.514 -13.312 4.337 632 HA ASP 89 HA ASP 89 8.906 -15.095 4.196 633 1HB ASP 89 HB2 ASP 89 7.452 -13.668 6.315 634 2HB ASP 89 HB1 ASP 89 7.753 -15.363 6.700 635 HA PRO 90 HA PRO 90 6.092 -18.348 3.237 636 1HB PRO 90 HB2 PRO 90 7.698 -20.446 3.980 637 2HB PRO 90 HB1 PRO 90 7.939 -19.525 2.480 638 1HG PRO 90 HG2 PRO 90 9.347 -19.276 5.099 639 2HG PRO 90 HG1 PRO 90 10.007 -19.217 3.455 640 1HD PRO 90 HD2 PRO 90 9.563 -16.982 4.921 641 2HD PRO 90 HD1 PRO 90 9.405 -17.008 3.149 642 H ASN 91 HN ASN 91 7.145 -17.465 6.322 643 HA ASN 91 HA ASN 91 5.888 -19.633 7.838 644 1HB ASN 91 HB2 ASN 91 7.428 -17.152 8.271 645 2HB ASN 91 HB1 ASN 91 6.228 -17.473 9.524 646 1HD2 ASN 91 HD21 ASN 91 8.269 -19.737 7.594 647 2HD2 ASN 91 HD22 ASN 91 8.971 -20.487 8.945 648 H VAL 92 HN VAL 92 4.886 -16.742 6.262 649 HA VAL 92 HA VAL 92 2.235 -16.879 7.655 650 HB VAL 92 HB VAL 92 3.737 -14.480 6.537 651 1HG1 VAL 92 HG11 VAL 92 1.136 -14.767 8.084 652 2HG1 VAL 92 HG12 VAL 92 1.331 -14.147 6.444 653 3HG1 VAL 92 HG13 VAL 92 1.954 -13.228 7.814 654 1HG2 VAL 92 HG21 VAL 92 3.179 -14.544 9.409 655 2HG2 VAL 92 HG22 VAL 92 4.699 -14.231 8.572 656 3HG2 VAL 92 HG23 VAL 92 4.202 -15.890 8.906 657 H ARG 93 HN ARG 93 0.458 -16.939 6.255 658 HA ARG 93 HA ARG 93 0.984 -17.323 3.413 659 1HB ARG 93 HB2 ARG 93 -0.580 -18.703 4.815 660 2HB ARG 93 HB1 ARG 93 -1.612 -17.281 4.974 661 1HG ARG 93 HG2 ARG 93 -2.553 -18.455 3.154 662 2HG ARG 93 HG1 ARG 93 -1.570 -17.208 2.387 663 1HD ARG 93 HD2 ARG 93 -0.223 -18.756 1.419 664 2HD ARG 93 HD1 ARG 93 -0.025 -19.632 2.951 665 HE ARG 93 HE ARG 93 -2.382 -19.964 1.135 666 1HH1 ARG 93 HH11 ARG 93 0.152 -21.777 1.959 667 2HH1 ARG 93 HH12 ARG 93 -0.705 -23.019 2.810 668 1HH2 ARG 93 HH21 ARG 93 -3.676 -21.237 2.953 669 2HH2 ARG 93 HH22 ARG 93 -2.872 -22.712 3.373 670 H TRP 94 HN TRP 94 -1.315 -15.291 5.237 671 HA TRP 94 HA TRP 94 -0.662 -12.925 3.612 672 1HB TRP 94 HB2 TRP 94 -2.855 -12.777 2.591 673 2HB TRP 94 HB1 TRP 94 -2.235 -14.395 2.263 674 HD1 TRP 94 HD1 TRP 94 -3.510 -16.417 3.255 675 HE1 TRP 94 HE1 TRP 94 -5.680 -16.670 4.623 676 HE3 TRP 94 HE3 TRP 94 -4.350 -11.534 4.490 677 HZ2 TRP 94 HZ2 TRP 94 -7.528 -15.021 6.052 678 HZ3 TRP 94 HZ3 TRP 94 -6.320 -10.904 5.855 679 HH2 TRP 94 HH2 TRP 94 -7.909 -12.639 6.636 680 H GLU 95 HN GLU 95 -1.934 -11.008 4.450 681 HA GLU 95 HA GLU 95 -3.433 -11.383 6.954 682 1HB GLU 95 HB2 GLU 95 -0.932 -11.600 7.439 683 2HB GLU 95 HB1 GLU 95 -0.794 -9.899 6.994 684 1HG GLU 95 HG2 GLU 95 -1.091 -9.805 9.324 685 2HG GLU 95 HG1 GLU 95 -2.721 -9.533 8.708 686 H TYR 96 HN TYR 96 -4.463 -9.404 7.627 687 HA TYR 96 HA TYR 96 -5.087 -7.554 5.511 688 1HB TYR 96 HB2 TYR 96 -5.639 -7.920 8.423 689 2HB TYR 96 HB1 TYR 96 -5.948 -6.321 7.746 690 HD1 TYR 96 HD1 TYR 96 -7.153 -6.419 5.324 691 HD2 TYR 96 HD2 TYR 96 -7.401 -9.436 8.371 692 HE1 TYR 96 HE1 TYR 96 -9.272 -7.244 4.334 693 HE2 TYR 96 HE2 TYR 96 -9.520 -10.261 7.382 694 HH TYR 96 HH TYR 96 -11.381 -9.267 5.932 695 H CYS 97 HN CYS 97 -4.890 -5.032 6.264 696 HA CYS 97 HA CYS 97 -1.969 -4.613 6.787 697 1HB CYS 97 HB2 CYS 97 -3.886 -3.675 4.832 698 2HB CYS 97 HB1 CYS 97 -3.149 -2.311 5.672 699 H ASN 98 HN ASN 98 -1.358 -3.214 8.420 700 HA ASN 98 HA ASN 98 -3.012 -2.655 10.633 701 1HB ASN 98 HB2 ASN 98 -0.478 -1.525 9.479 702 2HB ASN 98 HB1 ASN 98 -1.197 -0.745 10.888 703 1HD2 ASN 98 HD21 ASN 98 1.315 -2.029 11.142 704 2HD2 ASN 98 HD22 ASN 98 1.132 -3.420 12.097 705 H LEU 99 HN LEU 99 -5.049 -1.828 9.625 706 HA LEU 99 HA LEU 99 -4.880 1.121 9.191 707 1HB LEU 99 HB2 LEU 99 -6.149 -0.968 7.402 708 2HB LEU 99 HB1 LEU 99 -6.461 0.761 7.242 709 HG LEU 99 HG LEU 99 -3.674 -0.416 7.203 710 1HD1 LEU 99 HD11 LEU 99 -3.854 0.016 4.703 711 2HD1 LEU 99 HD12 LEU 99 -5.595 0.177 4.938 712 3HD1 LEU 99 HD13 LEU 99 -4.795 -1.353 5.297 713 1HD2 LEU 99 HD21 LEU 99 -4.806 2.247 6.281 714 2HD2 LEU 99 HD22 LEU 99 -3.110 1.766 6.218 715 3HD2 LEU 99 HD23 LEU 99 -3.905 1.990 7.776 716 H THR 100 HN THR 100 -6.550 2.203 10.145 717 HA THR 100 HA THR 100 -8.864 0.620 11.197 718 HB THR 100 HB THR 100 -8.785 2.275 13.069 719 HG1 THR 100 HG1 THR 100 -6.291 3.026 11.983 720 1HG2 THR 100 HG21 THR 100 -6.027 1.140 12.866 721 2HG2 THR 100 HG22 THR 100 -7.397 0.030 12.862 722 3HG2 THR 100 HG23 THR 100 -7.147 1.118 14.228 723 H GLN 101 HN GLN 101 -10.884 1.893 11.324 724 HA GLN 101 HA GLN 101 -11.473 3.413 8.995 725 1HB GLN 101 HB2 GLN 101 -12.754 2.441 11.359 726 2HB GLN 101 HB1 GLN 101 -13.198 4.137 11.164 727 1HG GLN 101 HG2 GLN 101 -13.776 3.645 8.769 728 2HG GLN 101 HG1 GLN 101 -13.495 1.935 9.102 729 1HE2 GLN 101 HE21 GLN 101 -15.583 1.039 9.168 730 2HE2 GLN 101 HE22 GLN 101 -16.850 1.635 10.127 731 H CYS 102 HN CYS 102 -9.809 5.061 8.828 732 HA CYS 102 HA CYS 102 -8.942 6.911 10.701 733 1HB CYS 102 HB2 CYS 102 -8.733 6.520 8.004 734 2HB CYS 102 HB1 CYS 102 -9.664 8.017 8.050 735 HA PRO 103 HA PRO 103 -12.556 9.148 11.863 736 1HB PRO 103 HB2 PRO 103 -11.350 11.406 12.836 737 2HB PRO 103 HB1 PRO 103 -11.352 9.858 13.708 738 1HG PRO 103 HG2 PRO 103 -9.207 11.096 12.054 739 2HG PRO 103 HG1 PRO 103 -9.081 10.193 13.572 740 1HD PRO 103 HD2 PRO 103 -8.526 9.109 11.137 741 2HD PRO 103 HD1 PRO 103 -9.119 8.158 12.517 742 H VAL 104 HN VAL 104 -13.875 10.180 10.415 743 HA VAL 104 HA VAL 104 -13.137 11.413 8.014 744 HB VAL 104 HB VAL 104 -15.405 10.843 8.380 745 1HG1 VAL 104 HG11 VAL 104 -15.901 10.711 10.603 746 2HG1 VAL 104 HG12 VAL 104 -16.525 12.343 10.360 747 3HG1 VAL 104 HG13 VAL 104 -14.902 12.107 11.008 748 1HG2 VAL 104 HG21 VAL 104 -16.651 12.939 8.093 749 2HG2 VAL 104 HG22 VAL 104 -15.148 12.999 7.173 750 3HG2 VAL 104 HG23 VAL 104 -15.277 13.857 8.709 751 H THR 105 HN THR 105 -13.501 13.837 7.527 752 HA THR 105 HA THR 105 -11.891 15.420 9.473 753 HB THR 105 HB THR 105 -11.318 15.125 7.006 754 HG1 THR 105 HG1 THR 105 -11.248 17.608 6.809 755 1HG2 THR 105 HG21 THR 105 -14.028 15.906 6.747 756 2HG2 THR 105 HG22 THR 105 -12.876 15.581 5.452 757 3HG2 THR 105 HG23 THR 105 -13.060 17.219 6.079 758 H GLU 106 HN GLU 106 -14.630 14.944 10.190 759 HA GLU 106 HA GLU 106 -16.651 16.091 10.685 760 1HB GLU 106 HB2 GLU 106 -14.352 18.023 10.962 761 2HB GLU 106 HB1 GLU 106 -15.996 18.531 11.352 762 1HG GLU 106 HG2 GLU 106 -16.056 17.294 13.255 763 2HG GLU 106 HG1 GLU 106 -15.246 15.923 12.496 764 H SER 107 HN SER 107 -17.464 18.701 10.155 765 HA SER 107 HA SER 107 -18.194 18.546 7.348 766 1HB SER 107 HB2 SER 107 -19.787 19.473 8.822 767 2HB SER 107 HB1 SER 107 -18.583 20.459 9.647 768 HG SER 107 HG SER 107 -18.714 21.920 8.106 769 H SER 108 HN SER 108 -18.030 21.093 6.372 770 HA SER 108 HA SER 108 -15.451 22.360 6.719 771 1HB SER 108 HB2 SER 108 -15.739 20.040 4.949 772 2HB SER 108 HB1 SER 108 -15.073 21.446 4.124 773 HG SER 108 HG SER 108 -13.832 19.791 5.743 774 H VAL 109 HN VAL 109 -15.372 24.315 5.532 775 HA VAL 109 HA VAL 109 -17.908 25.082 4.194 776 HB VAL 109 HB VAL 109 -15.449 26.684 4.970 777 1HG1 VAL 109 HG11 VAL 109 -17.994 27.310 3.645 778 2HG1 VAL 109 HG12 VAL 109 -16.511 28.260 3.731 779 3HG1 VAL 109 HG13 VAL 109 -17.676 28.323 5.053 780 1HG2 VAL 109 HG21 VAL 109 -17.880 27.013 6.568 781 2HG2 VAL 109 HG22 VAL 109 -16.220 26.749 7.099 782 3HG2 VAL 109 HG23 VAL 109 -17.233 25.375 6.656 783 H LEU 110 HN LEU 110 -14.425 24.826 3.517 784 HA LEU 110 HA LEU 110 -15.030 25.336 0.622 785 1HB LEU 110 HB2 LEU 110 -13.375 26.698 2.328 786 2HB LEU 110 HB1 LEU 110 -12.253 25.537 1.618 787 HG LEU 110 HG LEU 110 -12.253 27.507 0.217 788 1HD1 LEU 110 HD11 LEU 110 -13.253 26.526 -1.911 789 2HD1 LEU 110 HD12 LEU 110 -13.847 25.196 -0.917 790 3HD1 LEU 110 HD13 LEU 110 -12.113 25.482 -1.061 791 1HD2 LEU 110 HD21 LEU 110 -14.660 27.897 -0.923 792 2HD2 LEU 110 HD22 LEU 110 -14.176 28.730 0.554 793 3HD2 LEU 110 HD23 LEU 110 -15.197 27.295 0.646 794 H ALA 111 HN ALA 111 -15.575 22.839 0.957 795 HA ALA 111 HA ALA 111 -13.086 21.195 0.803 796 1HB ALA 111 HB1 ALA 111 -14.452 19.426 1.539 797 2HB ALA 111 HB2 ALA 111 -15.919 20.175 0.908 798 3HB ALA 111 HB3 ALA 111 -15.156 20.818 2.362 799 H THR 112 HN THR 112 -12.501 20.282 -1.142 800 HA THR 112 HA THR 112 -14.528 20.075 -3.318 801 HB THR 112 HB THR 112 -13.432 22.269 -3.514 802 HG1 THR 112 HG1 THR 112 -12.060 20.931 -5.482 803 1HG2 THR 112 HG21 THR 112 -11.224 20.918 -2.483 804 2HG2 THR 112 HG22 THR 112 -11.245 22.582 -3.066 805 3HG2 THR 112 HG23 THR 112 -10.767 21.274 -4.148 806 H SER 113 HN SER 113 -14.182 18.256 -4.589 807 HA SER 113 HA SER 113 -12.436 16.177 -3.735 808 1HB SER 113 HB2 SER 113 -14.054 16.826 -6.180 809 2HB SER 113 HB1 SER 113 -12.994 15.420 -6.203 810 HG SER 113 HG SER 113 -15.097 15.999 -4.384 811 H THR 114 HN THR 114 -10.554 15.296 -4.918 812 HA THR 114 HA THR 114 -8.816 17.467 -5.968 813 HB THR 114 HB THR 114 -7.968 14.624 -5.521 814 HG1 THR 114 HG1 THR 114 -8.913 16.443 -3.614 815 1HG2 THR 114 HG21 THR 114 -6.755 17.345 -4.971 816 2HG2 THR 114 HG22 THR 114 -6.311 16.239 -6.270 817 3HG2 THR 114 HG23 THR 114 -5.975 15.809 -4.593 818 H ALA 115 HN ALA 115 -7.973 17.419 -8.072 819 HA ALA 115 HA ALA 115 -9.176 15.391 -9.916 820 1HB ALA 115 HB1 ALA 115 -7.874 18.037 -10.598 821 2HB ALA 115 HB2 ALA 115 -9.566 17.920 -10.116 822 3HB ALA 115 HB3 ALA 115 -9.007 17.105 -11.577 823 H VAL 116 HN VAL 116 -7.654 15.029 -11.916 824 HA VAL 116 HA VAL 116 -5.104 13.990 -10.904 825 HB VAL 116 HB VAL 116 -6.499 14.058 -13.596 826 1HG1 VAL 116 HG11 VAL 116 -4.791 12.343 -14.258 827 2HG1 VAL 116 HG12 VAL 116 -3.915 12.701 -12.770 828 3HG1 VAL 116 HG13 VAL 116 -4.104 13.947 -14.003 829 1HG2 VAL 116 HG21 VAL 116 -7.638 12.337 -12.685 830 2HG2 VAL 116 HG22 VAL 116 -6.635 12.382 -11.234 831 3HG2 VAL 116 HG23 VAL 116 -6.121 11.437 -12.632 832 H SER 117 HN SER 117 -3.386 15.386 -10.703 833 HA SER 117 HA SER 117 -3.089 17.560 -12.750 834 1HB SER 117 HB2 SER 117 -3.296 18.644 -10.707 835 2HB SER 117 HB1 SER 117 -2.595 17.301 -9.809 836 HG SER 117 HG SER 117 -1.393 19.455 -11.036 837 H GLU 118 HN GLU 118 -0.984 17.874 -13.650 838 HA GLU 118 HA GLU 118 1.328 16.325 -12.828 839 1HB GLU 118 HB2 GLU 118 -0.196 14.598 -13.823 840 2HB GLU 118 HB1 GLU 118 -0.139 15.483 -15.348 841 1HG GLU 118 HG2 GLU 118 2.512 15.272 -14.842 842 2HG GLU 118 HG1 GLU 118 1.938 13.798 -14.061 843 H GLN 119 HN GLN 119 -0.334 18.109 -15.406 844 HA GLN 119 HA GLN 119 2.191 19.592 -15.941 845 1HB GLN 119 HB2 GLN 119 0.949 17.549 -17.603 846 2HB GLN 119 HB1 GLN 119 1.056 19.087 -18.460 847 1HG GLN 119 HG2 GLN 119 3.359 17.712 -17.041 848 2HG GLN 119 HG1 GLN 119 3.101 17.727 -18.786 849 1HE2 GLN 119 HE21 GLN 119 3.610 19.671 -19.950 850 2HE2 GLN 119 HE22 GLN 119 4.347 21.011 -19.214 Start of MODEL 12 1 1H ALA 1 HT1 ALA 1 28.140 10.131 18.268 2 2H ALA 1 HT2 ALA 1 26.573 10.709 18.579 3 3H ALA 1 HT3 ALA 1 27.823 11.796 18.201 4 HA ALA 1 HA ALA 1 27.233 9.710 16.231 5 1HB ALA 1 HB1 ALA 1 25.500 11.823 15.648 6 2HB ALA 1 HB2 ALA 1 25.315 11.585 17.386 7 3HB ALA 1 HB3 ALA 1 25.031 10.244 16.277 8 H ARG 2 HN ARG 2 29.579 10.537 15.975 9 HA ARG 2 HA ARG 2 30.014 13.270 15.085 10 1HB ARG 2 HB2 ARG 2 31.599 10.690 14.887 11 2HB ARG 2 HB1 ARG 2 32.244 12.275 14.456 12 1HG ARG 2 HG2 ARG 2 32.826 12.509 16.622 13 2HG ARG 2 HG1 ARG 2 31.105 12.658 16.978 14 1HD ARG 2 HD2 ARG 2 31.421 9.918 16.744 15 2HD ARG 2 HD1 ARG 2 32.923 10.423 17.542 16 HE ARG 2 HE ARG 2 30.203 11.182 18.544 17 1HH1 ARG 2 HH21 ARG 2 31.565 8.916 19.906 18 2HH1 ARG 2 HH22 ARG 2 32.396 9.703 21.205 19 1HH2 ARG 2 HH11 ARG 2 32.131 12.867 19.813 20 2HH2 ARG 2 HH12 ARG 2 32.717 11.938 21.152 21 H ILE 3 HN ILE 3 30.106 10.133 13.347 22 HA ILE 3 HA ILE 3 29.173 11.577 10.891 23 HB ILE 3 HB ILE 3 30.794 10.118 9.655 24 1HG1 ILE 3 HG12 ILE 3 31.856 9.447 12.413 25 2HG1 ILE 3 HG11 ILE 3 30.828 8.356 11.483 26 1HG2 ILE 3 HG21 ILE 3 32.280 11.586 11.826 27 2HG2 ILE 3 HG22 ILE 3 31.300 12.468 10.655 28 3HG2 ILE 3 HG23 ILE 3 32.657 11.484 10.107 29 1HD1 ILE 3 HD11 ILE 3 33.375 8.027 11.266 30 2HD1 ILE 3 HD12 ILE 3 33.361 9.516 10.320 31 3HD1 ILE 3 HD13 ILE 3 32.447 8.113 9.768 32 H HIS 4 HN HIS 4 27.846 9.772 12.974 33 HA HIS 4 HA HIS 4 27.257 7.312 11.446 34 1HB HIS 4 HB2 HIS 4 27.584 7.302 13.893 35 2HB HIS 4 HB1 HIS 4 26.239 8.427 14.081 36 HD1 HIS 4 HD1 HIS 4 24.656 6.832 15.314 37 HD2 HIS 4 HD2 HIS 4 26.007 5.292 11.682 38 HE1 HIS 4 HE1 HIS 4 23.272 4.761 14.854 39 H HIS 5 HN HIS 5 25.316 9.984 12.854 40 HA HIS 5 HA HIS 5 22.859 9.356 11.594 41 1HB HIS 5 HB2 HIS 5 23.687 11.139 13.398 42 2HB HIS 5 HB1 HIS 5 23.713 12.198 11.989 43 HD1 HIS 5 HD1 HIS 5 21.592 13.517 12.075 44 HD2 HIS 5 HD2 HIS 5 20.943 9.496 12.964 45 HE1 HIS 5 HE1 HIS 5 19.087 13.232 12.319 46 H HIS 6 HN HIS 6 21.855 10.901 9.866 47 HA HIS 6 HA HIS 6 21.880 11.760 7.661 48 1HB HIS 6 HB2 HIS 6 23.777 13.064 8.905 49 2HB HIS 6 HB1 HIS 6 24.864 12.036 7.972 50 HD1 HIS 6 HD1 HIS 6 25.232 12.638 5.551 51 HD2 HIS 6 HD2 HIS 6 22.007 14.693 7.210 52 HE1 HIS 6 HE1 HIS 6 24.497 14.335 3.820 53 H HIS 7 HN HIS 7 21.821 10.549 5.800 54 HA HIS 7 HA HIS 7 23.045 7.940 5.665 55 1HB HIS 7 HB2 HIS 7 21.933 7.852 3.538 56 2HB HIS 7 HB1 HIS 7 20.898 8.813 4.593 57 HD1 HIS 7 HD1 HIS 7 23.031 9.031 1.548 58 HD2 HIS 7 HD2 HIS 7 20.942 11.648 4.032 59 HE1 HIS 7 HE1 HIS 7 22.919 11.244 0.323 60 H HIS 8 HN HIS 8 25.071 7.416 4.944 61 HA HIS 8 HA HIS 8 26.490 9.300 3.111 62 1HB HIS 8 HB2 HIS 8 26.998 9.653 5.594 63 2HB HIS 8 HB1 HIS 8 27.737 8.052 5.573 64 HD1 HIS 8 HD1 HIS 8 28.213 11.552 4.312 65 HD2 HIS 8 HD2 HIS 8 30.179 7.882 4.109 66 HE1 HIS 8 HE1 HIS 8 30.516 12.025 3.372 67 H HIS 9 HN HIS 9 25.252 6.420 3.151 68 HA HIS 9 HA HIS 9 27.314 5.215 1.466 69 1HB HIS 9 HB2 HIS 9 27.752 4.928 4.102 70 2HB HIS 9 HB1 HIS 9 26.638 3.580 3.871 71 HD1 HIS 9 HD1 HIS 9 27.617 1.476 2.921 72 HD2 HIS 9 HD2 HIS 9 30.068 4.777 2.231 73 HE1 HIS 9 HE1 HIS 9 29.742 0.583 1.870 74 H ILE 10 HN ILE 10 24.385 5.902 1.445 75 HA ILE 10 HA ILE 10 23.300 3.155 0.897 76 HB ILE 10 HB ILE 10 22.011 5.682 1.970 77 1HG1 ILE 10 HG12 ILE 10 21.430 3.429 3.551 78 2HG1 ILE 10 HG11 ILE 10 23.138 3.273 3.138 79 1HG2 ILE 10 HG21 ILE 10 19.910 4.389 2.010 80 2HG2 ILE 10 HG22 ILE 10 20.723 3.040 1.218 81 3HG2 ILE 10 HG23 ILE 10 20.507 4.565 0.361 82 1HD1 ILE 10 HD11 ILE 10 21.802 5.687 4.396 83 2HD1 ILE 10 HD12 ILE 10 23.486 5.637 3.873 84 3HD1 ILE 10 HD13 ILE 10 22.936 4.587 5.180 85 H GLU 11 HN GLU 11 21.889 6.319 0.173 86 HA GLU 11 HA GLU 11 22.027 5.629 -2.743 87 1HB GLU 11 HB2 GLU 11 19.969 6.690 -0.893 88 2HB GLU 11 HB1 GLU 11 20.025 7.466 -2.477 89 1HG GLU 11 HG2 GLU 11 20.289 4.615 -2.798 90 2HG GLU 11 HG1 GLU 11 18.859 4.968 -1.827 91 H GLY 12 HN GLY 12 21.167 8.713 -1.224 92 1HA GLY 12 HA2 GLY 12 23.422 10.224 -1.215 93 2HA GLY 12 HA1 GLY 12 23.119 10.082 -2.947 94 H ARG 13 HN ARG 13 22.876 12.509 -2.690 95 HA ARG 13 HA ARG 13 20.133 13.225 -1.710 96 1HB ARG 13 HB2 ARG 13 21.076 15.435 -1.339 97 2HB ARG 13 HB1 ARG 13 22.169 14.248 -0.625 98 1HG ARG 13 HG2 ARG 13 23.224 14.338 -3.093 99 2HG ARG 13 HG1 ARG 13 22.548 15.966 -3.029 100 1HD ARG 13 HD2 ARG 13 23.709 16.212 -0.755 101 2HD ARG 13 HD1 ARG 13 24.597 14.733 -1.171 102 HE ARG 13 HE ARG 13 24.635 17.207 -2.861 103 1HH1 ARG 13 HH11 ARG 13 26.622 15.546 -0.844 104 2HH1 ARG 13 HH12 ARG 13 27.853 15.185 -2.008 105 1HH2 ARG 13 HH21 ARG 13 25.956 16.205 -4.724 106 2HH2 ARG 13 HH22 ARG 13 27.476 15.559 -4.205 107 H ALA 14 HN ALA 14 19.531 15.447 -3.013 108 HA ALA 14 HA ALA 14 20.082 15.013 -5.922 109 1HB ALA 14 HB1 ALA 14 17.399 15.755 -5.734 110 2HB ALA 14 HB2 ALA 14 17.618 14.628 -4.394 111 3HB ALA 14 HB3 ALA 14 17.998 14.125 -6.041 112 HA PRO 15 HA PRO 15 20.251 19.390 -6.147 113 1HB PRO 15 HB2 PRO 15 18.970 19.939 -8.503 114 2HB PRO 15 HB1 PRO 15 20.579 19.193 -8.427 115 1HG PRO 15 HG2 PRO 15 17.931 17.933 -8.921 116 2HG PRO 15 HG1 PRO 15 19.511 17.558 -9.624 117 1HD PRO 15 HD2 PRO 15 18.337 16.094 -7.629 118 2HD PRO 15 HD1 PRO 15 20.091 16.174 -7.905 119 H THR 16 HN THR 16 17.180 19.263 -7.874 120 HA THR 16 HA THR 16 15.910 20.699 -5.570 121 HB THR 16 HB THR 16 15.052 20.787 -8.465 122 HG1 THR 16 HG1 THR 16 16.514 22.346 -8.828 123 1HG2 THR 16 HG21 THR 16 13.835 21.760 -6.283 124 2HG2 THR 16 HG22 THR 16 13.796 22.603 -7.832 125 3HG2 THR 16 HG23 THR 16 14.945 23.097 -6.588 126 H GLU 17 HN GLU 17 14.652 18.969 -8.445 127 HA GLU 17 HA GLU 17 12.320 18.000 -7.174 128 1HB GLU 17 HB2 GLU 17 13.307 18.120 -9.688 129 2HB GLU 17 HB1 GLU 17 13.573 16.409 -9.349 130 1HG GLU 17 HG2 GLU 17 11.399 16.361 -10.181 131 2HG GLU 17 HG1 GLU 17 11.096 16.510 -8.450 132 H GLN 18 HN GLN 18 12.461 16.723 -5.338 133 HA GLN 18 HA GLN 18 14.567 14.693 -5.115 134 1HB GLN 18 HB2 GLN 18 13.588 14.514 -2.794 135 2HB GLN 18 HB1 GLN 18 14.146 16.132 -3.217 136 1HG GLN 18 HG2 GLN 18 11.971 16.952 -3.508 137 2HG GLN 18 HG1 GLN 18 11.293 15.340 -3.746 138 1HE2 GLN 18 HE21 GLN 18 12.983 17.250 -1.188 139 2HE2 GLN 18 HE22 GLN 18 12.111 16.570 0.100 140 H SER 19 HN SER 19 11.263 14.932 -6.032 141 HA SER 19 HA SER 19 10.348 12.313 -5.236 142 1HB SER 19 HB2 SER 19 8.439 12.929 -6.459 143 2HB SER 19 HB1 SER 19 9.127 14.496 -6.040 144 HG SER 19 HG SER 19 9.539 14.831 -8.074 145 HA PRO 20 HA PRO 20 12.401 9.877 -8.281 146 1HB PRO 20 HB2 PRO 20 10.715 7.721 -8.299 147 2HB PRO 20 HB1 PRO 20 11.854 8.046 -6.977 148 1HG PRO 20 HG2 PRO 20 8.929 8.568 -7.125 149 2HG PRO 20 HG1 PRO 20 9.908 8.009 -5.760 150 1HD PRO 20 HD2 PRO 20 9.043 10.583 -6.047 151 2HD PRO 20 HD1 PRO 20 10.516 10.131 -5.160 152 H GLY 21 HN GLY 21 11.579 8.460 -10.324 153 1HA GLY 21 HA2 GLY 21 9.767 10.272 -11.844 154 2HA GLY 21 HA1 GLY 21 10.937 9.167 -12.568 155 H VAL 22 HN VAL 22 8.595 8.433 -10.001 156 HA VAL 22 HA VAL 22 7.018 6.781 -11.915 157 HB VAL 22 HB VAL 22 8.801 5.344 -11.062 158 1HG1 VAL 22 HG11 VAL 22 7.790 5.994 -8.283 159 2HG1 VAL 22 HG12 VAL 22 9.195 6.776 -9.008 160 3HG1 VAL 22 HG13 VAL 22 9.209 5.038 -8.710 161 1HG2 VAL 22 HG21 VAL 22 6.730 4.316 -9.278 162 2HG2 VAL 22 HG22 VAL 22 7.353 3.629 -10.778 163 3HG2 VAL 22 HG23 VAL 22 6.067 4.834 -10.828 164 H GLN 23 HN GLN 23 4.847 6.855 -11.384 165 HA GLN 23 HA GLN 23 4.002 7.366 -8.633 166 1HB GLN 23 HB2 GLN 23 2.805 9.428 -9.261 167 2HB GLN 23 HB1 GLN 23 4.527 9.589 -9.603 168 1HG GLN 23 HG2 GLN 23 3.399 8.430 -11.912 169 2HG GLN 23 HG1 GLN 23 2.296 9.722 -11.437 170 1HE2 GLN 23 HE21 GLN 23 5.480 9.035 -12.722 171 2HE2 GLN 23 HE22 GLN 23 5.961 10.651 -12.924 172 H ASP 24 HN ASP 24 3.081 5.188 -9.099 173 HA ASP 24 HA ASP 24 1.184 4.687 -11.181 174 1HB ASP 24 HB2 ASP 24 2.434 3.339 -9.087 175 2HB ASP 24 HB1 ASP 24 0.726 3.285 -8.654 176 H CYS 25 HN CYS 25 -1.154 3.856 -10.009 177 HA CYS 25 HA CYS 25 -2.241 5.913 -8.242 178 1HB CYS 25 HB2 CYS 25 -3.310 7.242 -9.767 179 2HB CYS 25 HB1 CYS 25 -1.984 6.700 -10.786 180 H TYR 26 HN TYR 26 -4.930 5.708 -8.836 181 HA TYR 26 HA TYR 26 -5.534 2.769 -8.585 182 1HB TYR 26 HB2 TYR 26 -5.847 5.023 -6.716 183 2HB TYR 26 HB1 TYR 26 -7.292 4.031 -6.893 184 HD1 TYR 26 HD1 TYR 26 -6.367 1.356 -7.298 185 HD2 TYR 26 HD2 TYR 26 -4.709 4.421 -4.793 186 HE1 TYR 26 HE1 TYR 26 -5.355 -0.378 -5.846 187 HE2 TYR 26 HE2 TYR 26 -3.696 2.695 -3.347 188 HH TYR 26 HH TYR 26 -4.425 -0.718 -3.763 189 H HIS 27 HN HIS 27 -8.275 3.093 -8.133 190 HA HIS 27 HA HIS 27 -9.306 4.746 -10.385 191 1HB HIS 27 HB2 HIS 27 -9.022 1.834 -10.251 192 2HB HIS 27 HB1 HIS 27 -10.688 2.323 -10.558 193 HD1 HIS 27 HD1 HIS 27 -11.198 3.530 -12.784 194 HD2 HIS 27 HD2 HIS 27 -7.169 2.568 -12.310 195 HE1 HIS 27 HE1 HIS 27 -10.100 3.917 -15.034 196 H GLY 28 HN GLY 28 -9.428 4.252 -7.238 197 1HA GLY 28 HA2 GLY 28 -11.862 5.461 -6.668 198 2HA GLY 28 HA1 GLY 28 -12.236 3.737 -6.727 199 H ASP 29 HN ASP 29 -11.575 2.424 -5.018 200 HA ASP 29 HA ASP 29 -9.919 3.708 -2.892 201 1HB ASP 29 HB2 ASP 29 -12.310 1.933 -2.412 202 2HB ASP 29 HB1 ASP 29 -11.473 2.948 -1.237 203 H GLY 30 HN GLY 30 -8.870 1.992 -4.834 204 1HA GLY 30 HA2 GLY 30 -7.403 0.147 -4.825 205 2HA GLY 30 HA1 GLY 30 -7.830 -0.136 -3.135 206 H GLN 31 HN GLN 31 -10.765 0.145 -4.372 207 HA GLN 31 HA GLN 31 -11.056 -2.781 -4.765 208 1HB GLN 31 HB2 GLN 31 -13.185 -0.625 -4.724 209 2HB GLN 31 HB1 GLN 31 -13.378 -2.337 -4.343 210 1HG GLN 31 HG2 GLN 31 -11.495 -1.732 -2.530 211 2HG GLN 31 HG1 GLN 31 -12.245 -0.142 -2.676 212 1HE2 GLN 31 HE21 GLN 31 -13.023 -0.549 -0.386 213 2HE2 GLN 31 HE22 GLN 31 -14.418 -1.488 -0.156 214 H SER 32 HN SER 32 -11.604 0.287 -6.441 215 HA SER 32 HA SER 32 -12.543 -1.005 -8.899 216 1HB SER 32 HB2 SER 32 -11.553 1.829 -8.531 217 2HB SER 32 HB1 SER 32 -12.789 1.246 -9.642 218 HG SER 32 HG SER 32 -14.213 1.253 -8.069 219 H TYR 33 HN TYR 33 -9.546 -0.705 -7.415 220 HA TYR 33 HA TYR 33 -7.811 0.061 -9.559 221 1HB TYR 33 HB2 TYR 33 -7.337 -0.256 -7.068 222 2HB TYR 33 HB1 TYR 33 -7.271 -1.989 -7.394 223 HD1 TYR 33 HD1 TYR 33 -5.015 -2.643 -7.304 224 HD2 TYR 33 HD2 TYR 33 -6.102 0.947 -9.398 225 HE1 TYR 33 HE1 TYR 33 -2.681 -2.403 -8.107 226 HE2 TYR 33 HE2 TYR 33 -3.769 1.187 -10.200 227 HH TYR 33 HH TYR 33 -1.576 0.479 -9.704 228 H ARG 34 HN ARG 34 -7.733 -0.957 -11.520 229 HA ARG 34 HA ARG 34 -8.260 -3.899 -11.634 230 1HB ARG 34 HB2 ARG 34 -8.748 -1.522 -13.333 231 2HB ARG 34 HB1 ARG 34 -8.268 -2.978 -14.207 232 1HG ARG 34 HG2 ARG 34 -10.109 -3.911 -12.341 233 2HG ARG 34 HG1 ARG 34 -10.792 -2.372 -12.868 234 1HD ARG 34 HD2 ARG 34 -10.351 -3.154 -15.270 235 2HD ARG 34 HD1 ARG 34 -10.065 -4.763 -14.579 236 HE ARG 34 HE ARG 34 -12.508 -3.587 -13.552 237 1HH1 ARG 34 HH11 ARG 34 -11.162 -4.840 -16.453 238 2HH1 ARG 34 HH12 ARG 34 -12.586 -5.720 -16.898 239 1HH2 ARG 34 HH21 ARG 34 -14.323 -4.889 -14.014 240 2HH2 ARG 34 HH22 ARG 34 -14.376 -5.748 -15.517 241 H GLY 35 HN GLY 35 -6.263 -4.915 -11.403 242 1HA GLY 35 HA2 GLY 35 -4.411 -5.235 -13.369 243 2HA GLY 35 HA1 GLY 35 -3.853 -3.745 -12.609 244 H SER 36 HN SER 36 -1.912 -4.965 -12.006 245 HA SER 36 HA SER 36 -2.301 -6.434 -9.435 246 1HB SER 36 HB2 SER 36 -0.731 -8.171 -10.283 247 2HB SER 36 HB1 SER 36 -2.189 -8.078 -11.267 248 HG SER 36 HG SER 36 -0.405 -8.089 -12.619 249 H PHE 37 HN PHE 37 -1.480 -3.913 -9.270 250 HA PHE 37 HA PHE 37 1.447 -3.691 -9.575 251 1HB PHE 37 HB2 PHE 37 -0.222 -1.870 -10.079 252 2HB PHE 37 HB1 PHE 37 -0.572 -1.792 -8.352 253 HD1 PHE 37 HD1 PHE 37 0.314 0.300 -7.684 254 HD2 PHE 37 HD2 PHE 37 2.704 -2.380 -10.042 255 HE1 PHE 37 HE1 PHE 37 2.288 1.764 -7.349 256 HE2 PHE 37 HE2 PHE 37 4.676 -0.916 -9.707 257 HZ PHE 37 HZ PHE 37 4.469 1.156 -8.361 258 H SER 38 HN SER 38 1.481 -5.662 -7.920 259 HA SER 38 HA SER 38 0.971 -5.141 -5.139 260 1HB SER 38 HB2 SER 38 1.237 -7.343 -6.319 261 2HB SER 38 HB1 SER 38 2.965 -7.013 -6.428 262 HG SER 38 HG SER 38 3.151 -7.537 -4.405 263 H THR 39 HN THR 39 2.400 -2.847 -6.088 264 HA THR 39 HA THR 39 5.126 -3.223 -4.916 265 HB THR 39 HB THR 39 4.130 -0.871 -6.530 266 HG1 THR 39 HG1 THR 39 5.471 -2.794 -7.922 267 1HG2 THR 39 HG21 THR 39 6.608 -1.669 -5.362 268 2HG2 THR 39 HG22 THR 39 6.275 -0.236 -6.335 269 3HG2 THR 39 HG23 THR 39 6.792 -1.731 -7.115 270 H THR 40 HN THR 40 5.575 -2.159 -3.005 271 HA THR 40 HA THR 40 3.402 -0.611 -1.740 272 HB THR 40 HB THR 40 4.919 -0.805 0.230 273 HG1 THR 40 HG1 THR 40 6.915 -0.758 -0.619 274 1HG2 THR 40 HG21 THR 40 4.270 -3.238 -1.423 275 2HG2 THR 40 HG22 THR 40 3.463 -2.643 0.027 276 3HG2 THR 40 HG23 THR 40 5.052 -3.397 0.150 277 H VAL 41 HN VAL 41 3.822 1.505 -0.792 278 HA VAL 41 HA VAL 41 4.800 3.494 -2.451 279 HB VAL 41 HB VAL 41 4.618 3.206 0.555 280 1HG1 VAL 41 HG11 VAL 41 5.448 5.614 -1.084 281 2HG1 VAL 41 HG12 VAL 41 6.297 4.893 0.283 282 3HG1 VAL 41 HG13 VAL 41 4.781 5.757 0.542 283 1HG2 VAL 41 HG21 VAL 41 2.459 3.324 -0.279 284 2HG2 VAL 41 HG22 VAL 41 2.938 4.288 -1.676 285 3HG2 VAL 41 HG23 VAL 41 2.805 5.043 -0.087 286 H THR 42 HN THR 42 6.636 1.858 0.154 287 HA THR 42 HA THR 42 9.094 3.250 -0.189 288 HB THR 42 HB THR 42 8.565 0.377 0.641 289 HG1 THR 42 HG1 THR 42 7.565 2.455 1.676 290 1HG2 THR 42 HG21 THR 42 10.620 0.850 2.081 291 2HG2 THR 42 HG22 THR 42 10.878 2.273 1.073 292 3HG2 THR 42 HG23 THR 42 10.915 0.664 0.352 293 H GLY 43 HN GLY 43 7.527 0.996 -2.252 294 1HA GLY 43 HA2 GLY 43 8.349 0.661 -4.527 295 2HA GLY 43 HA1 GLY 43 9.995 0.832 -3.916 296 H ARG 44 HN ARG 44 8.624 -0.968 -1.608 297 HA ARG 44 HA ARG 44 9.872 -3.434 -2.485 298 1HB ARG 44 HB2 ARG 44 9.167 -2.270 -0.116 299 2HB ARG 44 HB1 ARG 44 7.884 -3.468 -0.291 300 1HG ARG 44 HG2 ARG 44 9.965 -5.021 -0.956 301 2HG ARG 44 HG1 ARG 44 10.816 -3.871 0.076 302 1HD ARG 44 HD2 ARG 44 8.251 -5.224 0.960 303 2HD ARG 44 HD1 ARG 44 9.855 -5.911 1.287 304 HE ARG 44 HE ARG 44 8.727 -3.609 2.621 305 1HH1 ARG 44 HH21 ARG 44 11.604 -5.111 1.450 306 2HH1 ARG 44 HH22 ARG 44 12.660 -4.163 2.443 307 1HH2 ARG 44 HH11 ARG 44 10.098 -2.299 3.853 308 2HH2 ARG 44 HH12 ARG 44 11.807 -2.571 3.803 309 H THR 45 HN THR 45 8.136 -5.425 -1.776 310 HA THR 45 HA THR 45 5.851 -5.118 -3.700 311 HB THR 45 HB THR 45 7.684 -7.468 -3.115 312 HG1 THR 45 HG1 THR 45 8.765 -6.403 -4.571 313 1HG2 THR 45 HG21 THR 45 6.365 -8.365 -5.193 314 2HG2 THR 45 HG22 THR 45 5.131 -7.216 -4.677 315 3HG2 THR 45 HG23 THR 45 5.645 -8.504 -3.589 316 H CYS 46 HN CYS 46 3.866 -6.065 -3.018 317 HA CYS 46 HA CYS 46 3.529 -6.356 -0.172 318 1HB CYS 46 HB2 CYS 46 1.771 -5.361 -1.420 319 2HB CYS 46 HB1 CYS 46 1.779 -6.663 -2.606 320 H GLN 47 HN GLN 47 2.633 -8.295 0.877 321 HA GLN 47 HA GLN 47 3.859 -10.781 -0.167 322 1HB GLN 47 HB2 GLN 47 4.301 -10.414 2.109 323 2HB GLN 47 HB1 GLN 47 2.688 -9.786 2.425 324 1HG GLN 47 HG2 GLN 47 2.836 -11.994 3.405 325 2HG GLN 47 HG1 GLN 47 1.792 -12.104 1.988 326 1HE2 GLN 47 HE21 GLN 47 5.155 -12.708 3.078 327 2HE2 GLN 47 HE22 GLN 47 5.493 -13.880 1.897 328 H SER 48 HN SER 48 2.601 -12.587 -0.795 329 HA SER 48 HA SER 48 0.102 -12.371 -1.964 330 1HB SER 48 HB2 SER 48 1.341 -14.669 -0.419 331 2HB SER 48 HB1 SER 48 -0.034 -14.842 -1.507 332 HG SER 48 HG SER 48 1.275 -14.106 -3.191 333 H TRP 49 HN TRP 49 -2.054 -12.447 -1.194 334 HA TRP 49 HA TRP 49 -2.564 -11.607 1.505 335 1HB TRP 49 HB2 TRP 49 -4.354 -12.896 -0.583 336 2HB TRP 49 HB1 TRP 49 -4.921 -12.025 0.840 337 HD1 TRP 49 HD1 TRP 49 -3.413 -11.491 -2.593 338 HE1 TRP 49 HE1 TRP 49 -3.465 -8.988 -3.145 339 HE3 TRP 49 HE3 TRP 49 -4.820 -9.617 1.891 340 HZ2 TRP 49 HZ2 TRP 49 -4.015 -6.509 -1.870 341 HZ3 TRP 49 HZ3 TRP 49 -5.108 -7.178 2.228 342 HH2 TRP 49 HH2 TRP 49 -4.704 -5.614 0.343 343 H SER 50 HN SER 50 -2.368 -14.732 -0.071 344 HA SER 50 HA SER 50 -3.539 -16.258 2.125 345 1HB SER 50 HB2 SER 50 -3.510 -16.847 -0.323 346 2HB SER 50 HB1 SER 50 -1.773 -17.109 -0.190 347 HG SER 50 HG SER 50 -3.768 -18.768 0.428 348 H SER 51 HN SER 51 -0.895 -14.480 2.346 349 HA SER 51 HA SER 51 1.221 -16.307 3.037 350 1HB SER 51 HB2 SER 51 1.989 -14.123 4.248 351 2HB SER 51 HB1 SER 51 1.824 -14.092 2.495 352 HG SER 51 HG SER 51 0.490 -12.692 4.375 353 H MET 52 HN MET 52 1.441 -17.465 4.910 354 HA MET 52 HA MET 52 -0.257 -16.672 7.261 355 1HB MET 52 HB2 MET 52 0.527 -19.499 6.551 356 2HB MET 52 HB1 MET 52 -0.825 -18.951 7.533 357 1HG MET 52 HG2 MET 52 -1.190 -17.751 5.012 358 2HG MET 52 HG1 MET 52 -0.744 -19.425 4.689 359 1HE MET 52 HE1 MET 52 -4.410 -17.654 6.604 360 2HE MET 52 HE2 MET 52 -3.487 -17.084 5.216 361 3HE MET 52 HE3 MET 52 -2.757 -17.063 6.820 362 H THR 53 HN THR 53 2.862 -16.910 6.148 363 HA THR 53 HA THR 53 4.044 -18.086 8.591 364 HB THR 53 HB THR 53 6.061 -17.041 6.980 365 HG1 THR 53 HG1 THR 53 4.033 -18.114 5.326 366 1HG2 THR 53 HG21 THR 53 5.043 -19.716 6.239 367 2HG2 THR 53 HG22 THR 53 5.321 -19.470 7.963 368 3HG2 THR 53 HG23 THR 53 6.640 -19.238 6.815 369 HA PRO 54 HA PRO 54 5.787 -13.702 9.076 370 1HB PRO 54 HB2 PRO 54 5.239 -11.806 7.180 371 2HB PRO 54 HB1 PRO 54 6.631 -12.903 7.074 372 1HG PRO 54 HG2 PRO 54 4.005 -13.036 5.683 373 2HG PRO 54 HG1 PRO 54 5.624 -13.429 5.082 374 1HD PRO 54 HD2 PRO 54 3.803 -15.310 5.874 375 2HD PRO 54 HD1 PRO 54 5.564 -15.551 5.924 376 H HIS 55 HN HIS 55 3.379 -12.033 7.172 377 HA HIS 55 HA HIS 55 1.841 -11.479 9.671 378 1HB HIS 55 HB2 HIS 55 1.247 -10.088 7.103 379 2HB HIS 55 HB1 HIS 55 1.413 -9.420 8.726 380 HD1 HIS 55 HD1 HIS 55 3.427 -10.472 5.733 381 HD2 HIS 55 HD2 HIS 55 4.058 -8.639 9.422 382 HE1 HIS 55 HE1 HIS 55 5.818 -9.667 5.727 383 H TRP 56 HN TRP 56 0.749 -13.600 9.597 384 HA TRP 56 HA TRP 56 -0.744 -14.692 7.499 385 1HB TRP 56 HB2 TRP 56 -0.307 -15.662 9.755 386 2HB TRP 56 HB1 TRP 56 -1.458 -14.520 10.445 387 HD1 TRP 56 HD1 TRP 56 -3.856 -14.649 8.634 388 HE1 TRP 56 HE1 TRP 56 -5.241 -16.750 8.278 389 HE3 TRP 56 HE3 TRP 56 -0.437 -18.129 9.996 390 HZ2 TRP 56 HZ2 TRP 56 -4.957 -19.570 8.535 391 HZ3 TRP 56 HZ3 TRP 56 -1.020 -20.529 9.912 392 HH2 TRP 56 HH2 TRP 56 -3.269 -21.264 9.196 393 H HIS 57 HN HIS 57 -2.728 -14.194 6.546 394 HA HIS 57 HA HIS 57 -4.194 -11.828 7.655 395 1HB HIS 57 HB2 HIS 57 -4.137 -10.903 5.568 396 2HB HIS 57 HB1 HIS 57 -2.830 -12.043 5.276 397 HD1 HIS 57 HD1 HIS 57 -4.539 -14.647 5.032 398 HD2 HIS 57 HD2 HIS 57 -5.447 -11.060 3.108 399 HE1 HIS 57 HE1 HIS 57 -5.995 -15.246 3.049 400 H GLN 58 HN GLN 58 -6.530 -11.921 6.323 401 HA GLN 58 HA GLN 58 -7.632 -14.635 6.168 402 1HB GLN 58 HB2 GLN 58 -9.136 -14.306 8.112 403 2HB GLN 58 HB1 GLN 58 -7.442 -14.238 8.601 404 1HG GLN 58 HG2 GLN 58 -8.441 -11.622 7.786 405 2HG GLN 58 HG1 GLN 58 -9.377 -12.297 9.120 406 1HE2 GLN 58 HE21 GLN 58 -7.351 -10.049 9.163 407 2HE2 GLN 58 HE22 GLN 58 -6.191 -10.522 10.309 408 H ARG 59 HN ARG 59 -7.513 -12.215 4.478 409 HA ARG 59 HA ARG 59 -10.453 -11.863 4.067 410 1HB ARG 59 HB2 ARG 59 -8.301 -9.727 4.200 411 2HB ARG 59 HB1 ARG 59 -9.956 -9.429 3.666 412 1HG ARG 59 HG2 ARG 59 -10.312 -10.787 6.054 413 2HG ARG 59 HG1 ARG 59 -8.910 -9.769 6.383 414 1HD ARG 59 HD2 ARG 59 -10.103 -7.772 5.927 415 2HD ARG 59 HD1 ARG 59 -11.394 -8.641 5.073 416 HE ARG 59 HE ARG 59 -11.355 -9.747 7.639 417 1HH1 ARG 59 HH11 ARG 59 -10.598 -6.626 7.763 418 2HH1 ARG 59 HH12 ARG 59 -12.116 -6.026 8.342 419 1HH2 ARG 59 HH21 ARG 59 -13.819 -8.984 7.735 420 2HH2 ARG 59 HH22 ARG 59 -13.939 -7.361 8.327 421 H THR 60 HN THR 60 -8.196 -13.400 2.730 422 HA THR 60 HA THR 60 -7.248 -12.349 0.331 423 HB THR 60 HB THR 60 -6.828 -14.622 1.161 424 HG1 THR 60 HG1 THR 60 -6.590 -15.341 -0.795 425 1HG2 THR 60 HG21 THR 60 -9.778 -14.824 0.781 426 2HG2 THR 60 HG22 THR 60 -8.776 -15.442 2.094 427 3HG2 THR 60 HG23 THR 60 -8.803 -16.273 0.538 428 H THR 61 HN THR 61 -8.183 -13.178 -1.881 429 HA THR 61 HA THR 61 -10.665 -11.805 -2.401 430 HB THR 61 HB THR 61 -8.713 -12.257 -3.970 431 HG1 THR 61 HG1 THR 61 -10.898 -13.386 -5.229 432 1HG2 THR 61 HG21 THR 61 -8.814 -14.771 -3.132 433 2HG2 THR 61 HG22 THR 61 -8.270 -14.381 -4.764 434 3HG2 THR 61 HG23 THR 61 -9.921 -14.938 -4.494 435 H GLU 62 HN GLU 62 -9.889 -14.877 -1.083 436 HA GLU 62 HA GLU 62 -12.033 -16.467 -2.077 437 1HB GLU 62 HB2 GLU 62 -9.905 -17.096 -0.750 438 2HB GLU 62 HB1 GLU 62 -10.809 -16.609 0.684 439 1HG GLU 62 HG2 GLU 62 -11.011 -19.043 0.277 440 2HG GLU 62 HG1 GLU 62 -12.573 -18.236 0.142 441 H TYR 63 HN TYR 63 -11.734 -14.046 0.422 442 HA TYR 63 HA TYR 63 -14.356 -14.588 1.571 443 1HB TYR 63 HB2 TYR 63 -11.986 -13.082 2.156 444 2HB TYR 63 HB1 TYR 63 -13.369 -11.990 2.217 445 HD1 TYR 63 HD1 TYR 63 -15.202 -12.355 3.809 446 HD2 TYR 63 HD2 TYR 63 -11.790 -14.961 3.696 447 HE1 TYR 63 HE1 TYR 63 -15.851 -13.300 6.009 448 HE2 TYR 63 HE2 TYR 63 -12.438 -15.906 5.895 449 HH TYR 63 HH TYR 63 -14.215 -14.602 8.003 450 H TYR 64 HN TYR 64 -13.239 -13.117 -1.249 451 HA TYR 64 HA TYR 64 -15.727 -11.440 -1.446 452 1HB TYR 64 HB2 TYR 64 -12.908 -11.028 -2.482 453 2HB TYR 64 HB1 TYR 64 -14.275 -10.032 -2.979 454 HD1 TYR 64 HD1 TYR 64 -15.415 -8.554 -1.371 455 HD2 TYR 64 HD2 TYR 64 -11.981 -10.875 -0.243 456 HE1 TYR 64 HE1 TYR 64 -15.157 -7.177 0.675 457 HE2 TYR 64 HE2 TYR 64 -11.723 -9.497 1.803 458 HH TYR 64 HH TYR 64 -13.018 -8.063 3.227 459 HA PRO 65 HA PRO 65 -16.541 -14.159 -4.858 460 1HB PRO 65 HB2 PRO 65 -18.682 -12.786 -5.873 461 2HB PRO 65 HB1 PRO 65 -18.787 -13.807 -4.425 462 1HG PRO 65 HG2 PRO 65 -18.556 -10.846 -4.639 463 2HG PRO 65 HG1 PRO 65 -19.510 -11.826 -3.514 464 1HD PRO 65 HD2 PRO 65 -17.146 -10.646 -2.844 465 2HD PRO 65 HD1 PRO 65 -17.749 -12.135 -2.084 466 H ASN 66 HN ASN 66 -15.318 -11.040 -4.959 467 HA ASN 66 HA ASN 66 -14.473 -11.340 -7.762 468 1HB ASN 66 HB2 ASN 66 -16.838 -9.966 -7.100 469 2HB ASN 66 HB1 ASN 66 -15.641 -8.704 -7.391 470 1HD2 ASN 66 HD21 ASN 66 -17.691 -8.916 -9.255 471 2HD2 ASN 66 HD22 ASN 66 -17.107 -9.589 -10.700 472 H GLY 67 HN GLY 67 -12.872 -11.358 -5.509 473 1HA GLY 67 HA2 GLY 67 -11.910 -8.668 -4.893 474 2HA GLY 67 HA1 GLY 67 -11.194 -10.179 -4.331 475 H GLY 68 HN GLY 68 -10.230 -11.512 -6.300 476 1HA GLY 68 HA2 GLY 68 -8.885 -11.514 -8.280 477 2HA GLY 68 HA1 GLY 68 -9.035 -9.756 -8.354 478 H LEU 69 HN LEU 69 -8.300 -10.969 -5.254 479 HA LEU 69 HA LEU 69 -5.717 -9.639 -5.212 480 1HB LEU 69 HB2 LEU 69 -7.019 -11.553 -3.251 481 2HB LEU 69 HB1 LEU 69 -5.750 -10.384 -2.888 482 HG LEU 69 HG LEU 69 -8.588 -9.795 -3.745 483 1HD1 LEU 69 HD11 LEU 69 -7.882 -10.329 -1.293 484 2HD1 LEU 69 HD12 LEU 69 -8.859 -8.891 -1.590 485 3HD1 LEU 69 HD13 LEU 69 -7.120 -8.740 -1.335 486 1HD2 LEU 69 HD21 LEU 69 -7.396 -7.388 -3.139 487 2HD2 LEU 69 HD22 LEU 69 -7.673 -7.985 -4.774 488 3HD2 LEU 69 HD23 LEU 69 -6.107 -8.228 -4.000 489 H THR 70 HN THR 70 -5.299 -11.332 -7.218 490 HA THR 70 HA THR 70 -4.466 -14.004 -6.532 491 HB THR 70 HB THR 70 -3.661 -12.134 -8.787 492 HG1 THR 70 HG1 THR 70 -5.666 -14.133 -8.615 493 1HG2 THR 70 HG21 THR 70 -2.222 -13.788 -9.315 494 2HG2 THR 70 HG22 THR 70 -3.641 -14.763 -9.696 495 3HG2 THR 70 HG23 THR 70 -2.903 -14.866 -8.097 496 H ARG 71 HN ARG 71 -2.576 -14.650 -5.544 497 HA ARG 71 HA ARG 71 -0.410 -14.510 -4.599 498 1HB ARG 71 HB2 ARG 71 -0.240 -13.874 -7.178 499 2HB ARG 71 HB1 ARG 71 0.169 -12.287 -6.527 500 1HG ARG 71 HG2 ARG 71 2.158 -13.012 -5.631 501 2HG ARG 71 HG1 ARG 71 1.549 -14.639 -5.324 502 1HD ARG 71 HD2 ARG 71 1.590 -14.067 -8.180 503 2HD ARG 71 HD1 ARG 71 3.201 -13.886 -7.457 504 HE ARG 71 HE ARG 71 1.842 -16.386 -7.797 505 1HH1 ARG 71 HH21 ARG 71 4.726 -15.355 -6.807 506 2HH1 ARG 71 HH22 ARG 71 4.886 -16.371 -5.414 507 1HH2 ARG 71 HH11 ARG 71 1.562 -17.361 -5.429 508 2HH2 ARG 71 HH12 ARG 71 3.094 -17.507 -4.633 509 H ASN 72 HN ASN 72 0.997 -11.755 -4.870 510 HA ASN 72 HA ASN 72 -0.124 -10.618 -2.371 511 1HB ASN 72 HB2 ASN 72 1.951 -9.134 -2.689 512 2HB ASN 72 HB1 ASN 72 2.243 -10.850 -2.421 513 1HD2 ASN 72 HD21 ASN 72 1.376 -8.953 -5.395 514 2HD2 ASN 72 HD22 ASN 72 2.659 -9.551 -6.318 515 H TYR 73 HN TYR 73 -1.265 -10.356 -5.289 516 HA TYR 73 HA TYR 73 -1.129 -7.939 -6.513 517 1HB TYR 73 HB2 TYR 73 -3.348 -9.766 -5.744 518 2HB TYR 73 HB1 TYR 73 -3.823 -8.183 -6.357 519 HD1 TYR 73 HD1 TYR 73 -4.736 -8.965 -8.456 520 HD2 TYR 73 HD2 TYR 73 -0.692 -9.890 -7.339 521 HE1 TYR 73 HE1 TYR 73 -4.269 -9.719 -10.771 522 HE2 TYR 73 HE2 TYR 73 -0.225 -10.644 -9.655 523 HH TYR 73 HH TYR 73 -2.550 -11.376 -11.852 524 H CYS 74 HN CYS 74 -1.292 -5.851 -5.973 525 HA CYS 74 HA CYS 74 -1.873 -4.977 -3.242 526 1HB CYS 74 HB2 CYS 74 -0.171 -3.871 -4.539 527 2HB CYS 74 HB1 CYS 74 -1.286 -3.594 -5.876 528 H ARG 75 HN ARG 75 -3.906 -4.624 -2.502 529 HA ARG 75 HA ARG 75 -5.914 -3.368 -4.295 530 1HB ARG 75 HB2 ARG 75 -5.929 -6.130 -3.145 531 2HB ARG 75 HB1 ARG 75 -7.466 -5.268 -3.219 532 1HG ARG 75 HG2 ARG 75 -6.090 -4.877 -5.702 533 2HG ARG 75 HG1 ARG 75 -6.110 -6.603 -5.338 534 1HD ARG 75 HD2 ARG 75 -8.649 -6.121 -4.723 535 2HD ARG 75 HD1 ARG 75 -8.417 -4.750 -5.826 536 HE ARG 75 HE ARG 75 -7.938 -7.608 -6.578 537 1HH1 ARG 75 HH21 ARG 75 -10.317 -6.128 -7.652 538 2HH1 ARG 75 HH22 ARG 75 -9.741 -5.590 -9.194 539 1HH2 ARG 75 HH11 ARG 75 -6.402 -6.128 -8.432 540 2HH2 ARG 75 HH12 ARG 75 -7.525 -5.591 -9.636 541 H ASN 76 HN ASN 76 -8.093 -3.691 -2.471 542 HA ASN 76 HA ASN 76 -7.119 -2.692 0.144 543 1HB ASN 76 HB2 ASN 76 -7.127 -0.717 -1.241 544 2HB ASN 76 HB1 ASN 76 -8.724 -1.109 -1.874 545 1HD2 ASN 76 HD21 ASN 76 -10.502 -0.269 -0.743 546 2HD2 ASN 76 HD22 ASN 76 -10.413 0.442 0.796 547 HA PRO 77 HA PRO 77 -11.206 -4.908 0.222 548 1HB PRO 77 HB2 PRO 77 -10.375 -7.297 1.251 549 2HB PRO 77 HB1 PRO 77 -10.411 -6.960 -0.490 550 1HG PRO 77 HG2 PRO 77 -8.115 -7.125 1.345 551 2HG PRO 77 HG1 PRO 77 -8.193 -7.401 -0.399 552 1HD PRO 77 HD2 PRO 77 -7.233 -5.092 0.915 553 2HD PRO 77 HD1 PRO 77 -7.512 -5.295 -0.827 554 H ASP 78 HN ASP 78 -9.768 -3.120 2.148 555 HA ASP 78 HA ASP 78 -10.782 -4.344 4.690 556 1HB ASP 78 HB2 ASP 78 -8.298 -4.425 4.467 557 2HB ASP 78 HB1 ASP 78 -8.282 -2.671 4.281 558 H ALA 79 HN ALA 79 -11.599 -2.136 2.573 559 HA ALA 79 HA ALA 79 -12.942 -0.192 2.763 560 1HB ALA 79 HB1 ALA 79 -13.025 -1.518 5.252 561 2HB ALA 79 HB2 ALA 79 -14.138 -0.278 4.677 562 3HB ALA 79 HB3 ALA 79 -12.725 0.178 5.628 563 H GLU 80 HN GLU 80 -9.729 -0.444 3.470 564 HA GLU 80 HA GLU 80 -9.162 2.170 4.609 565 1HB GLU 80 HB2 GLU 80 -7.821 -0.147 4.324 566 2HB GLU 80 HB1 GLU 80 -7.198 0.701 2.907 567 1HG GLU 80 HG2 GLU 80 -5.972 2.135 4.163 568 2HG GLU 80 HG1 GLU 80 -7.277 2.365 5.328 569 H ILE 81 HN ILE 81 -7.734 3.747 3.262 570 HA ILE 81 HA ILE 81 -9.104 4.993 1.216 571 HB ILE 81 HB ILE 81 -7.200 6.078 2.064 572 1HG1 ILE 81 HG12 ILE 81 -6.701 5.071 -0.736 573 2HG1 ILE 81 HG11 ILE 81 -7.186 6.674 -0.207 574 1HG2 ILE 81 HG21 ILE 81 -4.988 4.395 1.327 575 2HG2 ILE 81 HG22 ILE 81 -6.142 3.453 2.259 576 3HG2 ILE 81 HG23 ILE 81 -5.476 4.939 2.928 577 1HD1 ILE 81 HD11 ILE 81 -4.984 7.167 0.600 578 2HD1 ILE 81 HD12 ILE 81 -4.779 6.456 -1.000 579 3HD1 ILE 81 HD13 ILE 81 -4.478 5.486 0.439 580 H SER 82 HN SER 82 -6.336 2.851 0.510 581 HA SER 82 HA SER 82 -7.593 1.135 -1.343 582 1HB SER 82 HB2 SER 82 -8.157 3.102 -2.610 583 2HB SER 82 HB1 SER 82 -6.539 3.749 -2.452 584 HG SER 82 HG SER 82 -7.170 2.609 -4.481 585 HA PRO 83 HA PRO 83 -2.849 1.141 -2.209 586 1HB PRO 83 HB2 PRO 83 -1.335 3.005 -0.888 587 2HB PRO 83 HB1 PRO 83 -2.033 3.292 -2.492 588 1HG PRO 83 HG2 PRO 83 -3.022 4.159 0.181 589 2HG PRO 83 HG1 PRO 83 -2.942 5.065 -1.340 590 1HD PRO 83 HD2 PRO 83 -5.232 3.976 -0.448 591 2HD PRO 83 HD1 PRO 83 -4.846 4.099 -2.176 592 H TRP 84 HN TRP 84 -3.265 -0.743 -0.736 593 HA TRP 84 HA TRP 84 -1.544 -0.573 1.632 594 1HB TRP 84 HB2 TRP 84 -3.144 -0.420 3.249 595 2HB TRP 84 HB1 TRP 84 -4.121 0.258 1.954 596 HD1 TRP 84 HD1 TRP 84 -6.198 -1.070 1.185 597 HE1 TRP 84 HE1 TRP 84 -7.281 -3.295 1.909 598 HE3 TRP 84 HE3 TRP 84 -2.502 -2.914 4.189 599 HZ2 TRP 84 HZ2 TRP 84 -6.662 -5.556 3.546 600 HZ3 TRP 84 HZ3 TRP 84 -2.776 -5.103 5.318 601 HH2 TRP 84 HH2 TRP 84 -4.849 -6.425 5.001 602 H CYS 85 HN CYS 85 -0.535 -2.521 1.821 603 HA CYS 85 HA CYS 85 -1.973 -5.041 1.349 604 1HB CYS 85 HB2 CYS 85 -1.234 -3.893 -0.886 605 2HB CYS 85 HB1 CYS 85 0.383 -4.428 -0.427 606 H TYR 86 HN TYR 86 -0.854 -6.778 2.317 607 HA TYR 86 HA TYR 86 1.037 -6.322 4.354 608 1HB TYR 86 HB2 TYR 86 0.825 -8.829 2.658 609 2HB TYR 86 HB1 TYR 86 1.253 -8.724 4.365 610 HD1 TYR 86 HD1 TYR 86 -1.166 -10.115 2.665 611 HD2 TYR 86 HD2 TYR 86 -0.776 -6.763 5.323 612 HE1 TYR 86 HE1 TYR 86 -3.558 -10.324 3.283 613 HE2 TYR 86 HE2 TYR 86 -3.167 -6.972 5.940 614 HH TYR 86 HH TYR 86 -5.361 -8.243 4.386 615 H THR 87 HN THR 87 3.352 -7.467 4.234 616 HA THR 87 HA THR 87 4.695 -6.514 1.718 617 HB THR 87 HB THR 87 6.605 -6.640 3.719 618 HG1 THR 87 HG1 THR 87 5.581 -6.594 5.507 619 1HG2 THR 87 HG21 THR 87 5.690 -4.777 1.996 620 2HG2 THR 87 HG22 THR 87 6.812 -4.410 3.308 621 3HG2 THR 87 HG23 THR 87 5.086 -4.105 3.512 622 H MET 88 HN MET 88 6.056 -7.978 0.703 623 HA MET 88 HA MET 88 5.917 -10.776 1.306 624 1HB MET 88 HB2 MET 88 6.784 -9.076 -0.736 625 2HB MET 88 HB1 MET 88 8.247 -9.920 -0.224 626 1HG MET 88 HG2 MET 88 6.326 -11.928 -0.266 627 2HG MET 88 HG1 MET 88 5.925 -10.947 -1.675 628 1HE MET 88 HE1 MET 88 7.355 -14.199 -1.705 629 2HE MET 88 HE2 MET 88 7.704 -13.756 -3.374 630 3HE MET 88 HE3 MET 88 6.213 -13.203 -2.617 631 H ASP 89 HN ASP 89 7.570 -8.401 3.035 632 HA ASP 89 HA ASP 89 9.722 -10.320 3.812 633 1HB ASP 89 HB2 ASP 89 9.523 -7.333 3.528 634 2HB ASP 89 HB1 ASP 89 10.710 -8.019 4.638 635 HA PRO 90 HA PRO 90 7.698 -10.430 7.733 636 1HB PRO 90 HB2 PRO 90 9.781 -11.476 9.173 637 2HB PRO 90 HB1 PRO 90 8.792 -12.445 8.062 638 1HG PRO 90 HG2 PRO 90 11.488 -11.248 7.644 639 2HG PRO 90 HG1 PRO 90 10.859 -12.821 7.126 640 1HD PRO 90 HD2 PRO 90 11.086 -10.682 5.454 641 2HD PRO 90 HD1 PRO 90 9.858 -11.951 5.252 642 H ASN 91 HN ASN 91 10.143 -8.340 6.845 643 HA ASN 91 HA ASN 91 10.640 -7.221 9.536 644 1HB ASN 91 HB2 ASN 91 11.787 -7.152 6.844 645 2HB ASN 91 HB1 ASN 91 11.715 -5.550 7.578 646 1HD2 ASN 91 HD21 ASN 91 12.879 -8.890 8.207 647 2HD2 ASN 91 HD22 ASN 91 14.107 -8.423 9.281 648 H VAL 92 HN VAL 92 8.353 -6.918 7.030 649 HA VAL 92 HA VAL 92 7.520 -4.226 8.060 650 HB VAL 92 HB VAL 92 7.448 -5.435 5.268 651 1HG1 VAL 92 HG11 VAL 92 5.484 -4.129 5.378 652 2HG1 VAL 92 HG12 VAL 92 6.680 -3.001 4.739 653 3HG1 VAL 92 HG13 VAL 92 6.225 -2.935 6.442 654 1HG2 VAL 92 HG21 VAL 92 8.873 -2.972 6.333 655 2HG2 VAL 92 HG22 VAL 92 9.032 -3.674 4.723 656 3HG2 VAL 92 HG23 VAL 92 9.646 -4.544 6.129 657 H ARG 93 HN ARG 93 5.444 -4.279 8.924 658 HA ARG 93 HA ARG 93 3.877 -6.686 8.910 659 1HB ARG 93 HB2 ARG 93 4.033 -4.671 10.574 660 2HB ARG 93 HB1 ARG 93 2.836 -3.926 9.515 661 1HG ARG 93 HG2 ARG 93 1.767 -5.152 11.391 662 2HG ARG 93 HG1 ARG 93 1.333 -5.840 9.826 663 1HD ARG 93 HD2 ARG 93 2.152 -7.843 10.492 664 2HD ARG 93 HD1 ARG 93 3.750 -7.108 10.725 665 HE ARG 93 HE ARG 93 3.289 -7.110 13.034 666 1HH1 ARG 93 HH21 ARG 93 0.496 -8.068 11.411 667 2HH1 ARG 93 HH22 ARG 93 -0.599 -7.619 12.674 668 1HH2 ARG 93 HH11 ARG 93 1.836 -6.056 14.587 669 2HH2 ARG 93 HH12 ARG 93 0.160 -6.478 14.474 670 H TRP 94 HN TRP 94 3.383 -3.483 7.438 671 HA TRP 94 HA TRP 94 2.220 -4.654 5.011 672 1HB TRP 94 HB2 TRP 94 0.024 -3.574 5.363 673 2HB TRP 94 HB1 TRP 94 0.365 -4.706 6.673 674 HD1 TRP 94 HD1 TRP 94 0.456 -3.779 9.060 675 HE1 TRP 94 HE1 TRP 94 0.262 -1.426 10.103 676 HE3 TRP 94 HE3 TRP 94 0.618 -0.924 4.830 677 HZ2 TRP 94 HZ2 TRP 94 0.186 1.306 9.251 678 HZ3 TRP 94 HZ3 TRP 94 0.484 1.546 4.972 679 HH2 TRP 94 HH2 TRP 94 0.269 2.664 7.174 680 H GLU 95 HN GLU 95 1.653 -2.792 3.459 681 HA GLU 95 HA GLU 95 2.786 -0.160 4.208 682 1HB GLU 95 HB2 GLU 95 4.099 -2.221 2.499 683 2HB GLU 95 HB1 GLU 95 4.223 -0.545 1.966 684 1HG GLU 95 HG2 GLU 95 4.914 -0.035 4.414 685 2HG GLU 95 HG1 GLU 95 5.198 -1.772 4.542 686 H TYR 96 HN TYR 96 2.195 1.496 2.698 687 HA TYR 96 HA TYR 96 -0.240 0.965 1.198 688 1HB TYR 96 HB2 TYR 96 1.476 3.232 2.024 689 2HB TYR 96 HB1 TYR 96 0.599 3.485 0.515 690 HD1 TYR 96 HD1 TYR 96 -1.009 5.099 1.290 691 HD2 TYR 96 HD2 TYR 96 -0.548 1.337 3.311 692 HE1 TYR 96 HE1 TYR 96 -3.089 5.532 2.569 693 HE2 TYR 96 HE2 TYR 96 -2.628 1.769 4.590 694 HH TYR 96 HH TYR 96 -4.161 3.329 5.132 695 H CYS 97 HN CYS 97 -0.421 1.447 -1.155 696 HA CYS 97 HA CYS 97 1.924 0.400 -2.635 697 1HB CYS 97 HB2 CYS 97 -1.017 0.758 -3.046 698 2HB CYS 97 HB1 CYS 97 0.007 0.637 -4.477 699 H ASN 98 HN ASN 98 2.659 1.517 -4.603 700 HA ASN 98 HA ASN 98 2.981 4.391 -4.253 701 1HB ASN 98 HB2 ASN 98 3.733 2.283 -6.265 702 2HB ASN 98 HB1 ASN 98 4.007 3.985 -6.634 703 1HD2 ASN 98 HD21 ASN 98 5.557 1.334 -5.340 704 2HD2 ASN 98 HD22 ASN 98 6.668 2.125 -4.329 705 H LEU 99 HN LEU 99 0.268 4.314 -4.405 706 HA LEU 99 HA LEU 99 -0.229 5.510 -7.058 707 1HB LEU 99 HB2 LEU 99 -2.379 3.804 -6.911 708 2HB LEU 99 HB1 LEU 99 -0.939 3.519 -7.878 709 HG LEU 99 HG LEU 99 0.066 2.249 -6.010 710 1HD1 LEU 99 HD11 LEU 99 -2.016 1.681 -4.303 711 2HD1 LEU 99 HD12 LEU 99 -2.254 3.394 -4.619 712 3HD1 LEU 99 HD13 LEU 99 -0.727 2.829 -3.959 713 1HD2 LEU 99 HD21 LEU 99 -1.749 1.344 -7.749 714 2HD2 LEU 99 HD22 LEU 99 -2.680 1.095 -6.272 715 3HD2 LEU 99 HD23 LEU 99 -1.113 0.311 -6.469 716 H THR 100 HN THR 100 -1.774 7.076 -6.978 717 HA THR 100 HA THR 100 -3.416 7.296 -4.490 718 HB THR 100 HB THR 100 -3.301 9.695 -4.894 719 HG1 THR 100 HG1 THR 100 -1.650 10.098 -6.759 720 1HG2 THR 100 HG21 THR 100 -1.417 8.725 -3.680 721 2HG2 THR 100 HG22 THR 100 -0.839 10.029 -4.717 722 3HG2 THR 100 HG23 THR 100 -0.605 8.348 -5.199 723 H GLN 101 HN GLN 101 -5.633 8.140 -4.906 724 HA GLN 101 HA GLN 101 -7.075 6.842 -6.919 725 1HB GLN 101 HB2 GLN 101 -7.434 9.332 -5.286 726 2HB GLN 101 HB1 GLN 101 -8.610 8.990 -6.557 727 1HG GLN 101 HG2 GLN 101 -9.596 7.420 -5.286 728 2HG GLN 101 HG1 GLN 101 -8.060 6.579 -5.074 729 1HE2 GLN 101 HE21 GLN 101 -10.357 7.427 -3.121 730 2HE2 GLN 101 HE22 GLN 101 -9.516 8.145 -1.832 731 H CYS 102 HN CYS 102 -6.693 6.967 -9.113 732 HA CYS 102 HA CYS 102 -5.236 8.989 -10.448 733 1HB CYS 102 HB2 CYS 102 -6.767 6.635 -11.045 734 2HB CYS 102 HB1 CYS 102 -7.162 7.880 -12.223 735 HA PRO 103 HA PRO 103 -9.389 10.989 -11.753 736 1HB PRO 103 HB2 PRO 103 -11.679 10.054 -10.579 737 2HB PRO 103 HB1 PRO 103 -11.014 9.380 -12.081 738 1HG PRO 103 HG2 PRO 103 -10.814 8.351 -9.293 739 2HG PRO 103 HG1 PRO 103 -11.048 7.465 -10.809 740 1HD PRO 103 HD2 PRO 103 -8.652 7.628 -9.533 741 2HD PRO 103 HD1 PRO 103 -8.808 7.439 -11.294 742 H VAL 104 HN VAL 104 -10.926 12.563 -10.613 743 HA VAL 104 HA VAL 104 -9.676 13.563 -8.179 744 HB VAL 104 HB VAL 104 -12.288 14.425 -9.442 745 1HG1 VAL 104 HG11 VAL 104 -10.549 16.560 -8.712 746 2HG1 VAL 104 HG12 VAL 104 -10.581 15.423 -7.365 747 3HG1 VAL 104 HG13 VAL 104 -12.086 16.114 -7.971 748 1HG2 VAL 104 HG21 VAL 104 -11.192 14.855 -11.364 749 2HG2 VAL 104 HG22 VAL 104 -9.684 14.259 -10.672 750 3HG2 VAL 104 HG23 VAL 104 -10.135 15.953 -10.476 751 H THR 105 HN THR 105 -10.901 13.949 -6.160 752 HA THR 105 HA THR 105 -12.445 11.607 -5.344 753 HB THR 105 HB THR 105 -11.898 14.217 -3.899 754 HG1 THR 105 HG1 THR 105 -10.333 11.967 -3.493 755 1HG2 THR 105 HG21 THR 105 -11.979 12.675 -1.903 756 2HG2 THR 105 HG22 THR 105 -12.555 11.407 -2.985 757 3HG2 THR 105 HG23 THR 105 -13.520 12.863 -2.739 758 H GLU 106 HN GLU 106 -14.621 11.817 -4.340 759 HA GLU 106 HA GLU 106 -16.643 12.824 -5.902 760 1HB GLU 106 HB2 GLU 106 -16.375 12.591 -2.896 761 2HB GLU 106 HB1 GLU 106 -17.913 12.954 -3.678 762 1HG GLU 106 HG2 GLU 106 -17.499 10.866 -5.112 763 2HG GLU 106 HG1 GLU 106 -16.224 10.464 -3.960 764 H SER 107 HN SER 107 -17.276 14.863 -6.507 765 HA SER 107 HA SER 107 -15.910 17.237 -5.683 766 1HB SER 107 HB2 SER 107 -18.166 18.181 -6.760 767 2HB SER 107 HB1 SER 107 -16.943 17.391 -7.751 768 HG SER 107 HG SER 107 -18.328 15.867 -8.130 769 H SER 108 HN SER 108 -19.426 16.914 -5.294 770 HA SER 108 HA SER 108 -19.246 17.400 -2.379 771 1HB SER 108 HB2 SER 108 -20.075 19.392 -4.473 772 2HB SER 108 HB1 SER 108 -20.823 19.455 -2.879 773 HG SER 108 HG SER 108 -18.030 19.462 -3.415 774 H VAL 109 HN VAL 109 -20.547 15.576 -1.976 775 HA VAL 109 HA VAL 109 -23.243 15.522 -3.290 776 HB VAL 109 HB VAL 109 -21.680 13.619 -3.696 777 1HG1 VAL 109 HG11 VAL 109 -20.429 13.669 -1.613 778 2HG1 VAL 109 HG12 VAL 109 -21.223 12.100 -1.750 779 3HG1 VAL 109 HG13 VAL 109 -21.890 13.337 -0.684 780 1HG2 VAL 109 HG21 VAL 109 -23.417 12.143 -3.672 781 2HG2 VAL 109 HG22 VAL 109 -24.352 13.522 -3.094 782 3HG2 VAL 109 HG23 VAL 109 -23.697 12.356 -1.944 783 H LEU 110 HN LEU 110 -25.072 15.407 -1.949 784 HA LEU 110 HA LEU 110 -24.828 16.370 0.770 785 1HB LEU 110 HB2 LEU 110 -26.767 16.150 -1.237 786 2HB LEU 110 HB1 LEU 110 -27.361 15.113 0.061 787 HG LEU 110 HG LEU 110 -26.882 17.042 1.654 788 1HD1 LEU 110 HD11 LEU 110 -26.578 19.241 0.736 789 2HD1 LEU 110 HD12 LEU 110 -26.832 18.656 -0.908 790 3HD1 LEU 110 HD13 LEU 110 -25.372 18.205 -0.028 791 1HD2 LEU 110 HD21 LEU 110 -29.131 17.101 1.417 792 2HD2 LEU 110 HD22 LEU 110 -29.030 16.713 -0.300 793 3HD2 LEU 110 HD23 LEU 110 -28.874 18.386 0.237 794 H ALA 111 HN ALA 111 -23.484 14.705 1.793 795 HA ALA 111 HA ALA 111 -24.730 12.011 2.079 796 1HB ALA 111 HB1 ALA 111 -22.027 13.245 2.311 797 2HB ALA 111 HB2 ALA 111 -22.496 11.701 1.601 798 3HB ALA 111 HB3 ALA 111 -22.357 11.860 3.352 799 H THR 112 HN THR 112 -24.868 11.098 4.288 800 HA THR 112 HA THR 112 -25.848 13.082 6.230 801 HB THR 112 HB THR 112 -26.163 10.783 7.488 802 HG1 THR 112 HG1 THR 112 -25.662 9.083 6.368 803 1HG2 THR 112 HG21 THR 112 -27.606 12.102 5.318 804 2HG2 THR 112 HG22 THR 112 -28.225 11.410 6.817 805 3HG2 THR 112 HG23 THR 112 -27.962 10.378 5.411 806 H SER 113 HN SER 113 -23.522 10.361 6.434 807 HA SER 113 HA SER 113 -22.359 11.007 8.911 808 1HB SER 113 HB2 SER 113 -21.891 9.317 6.636 809 2HB SER 113 HB1 SER 113 -20.354 10.010 7.148 810 HG SER 113 HG SER 113 -22.073 9.096 9.138 811 H THR 114 HN THR 114 -20.416 12.171 9.447 812 HA THR 114 HA THR 114 -19.646 14.275 7.448 813 HB THR 114 HB THR 114 -19.355 14.608 10.415 814 HG1 THR 114 HG1 THR 114 -21.439 13.846 10.238 815 1HG2 THR 114 HG21 THR 114 -19.956 16.373 8.040 816 2HG2 THR 114 HG22 THR 114 -18.556 16.427 9.111 817 3HG2 THR 114 HG23 THR 114 -20.137 16.942 9.700 818 H ALA 115 HN ALA 115 -18.540 12.182 10.100 819 HA ALA 115 HA ALA 115 -15.872 11.978 8.859 820 1HB ALA 115 HB1 ALA 115 -16.296 13.133 11.637 821 2HB ALA 115 HB2 ALA 115 -15.844 14.072 10.214 822 3HB ALA 115 HB3 ALA 115 -14.738 12.859 10.857 823 H VAL 116 HN VAL 116 -15.368 9.830 9.066 824 HA VAL 116 HA VAL 116 -16.752 8.197 11.108 825 HB VAL 116 HB VAL 116 -14.888 7.579 8.795 826 1HG1 VAL 116 HG11 VAL 116 -14.635 5.753 10.276 827 2HG1 VAL 116 HG12 VAL 116 -15.906 5.229 9.171 828 3HG1 VAL 116 HG13 VAL 116 -16.324 5.817 10.780 829 1HG2 VAL 116 HG21 VAL 116 -16.790 8.019 7.635 830 2HG2 VAL 116 HG22 VAL 116 -17.782 8.003 9.093 831 3HG2 VAL 116 HG23 VAL 116 -17.376 6.488 8.287 832 H SER 117 HN SER 117 -15.646 7.034 12.732 833 HA SER 117 HA SER 117 -12.796 7.856 13.192 834 1HB SER 117 HB2 SER 117 -15.197 8.009 14.763 835 2HB SER 117 HB1 SER 117 -14.072 6.917 15.564 836 HG SER 117 HG SER 117 -13.264 9.419 14.526 837 H GLU 118 HN GLU 118 -11.395 6.151 12.976 838 HA GLU 118 HA GLU 118 -12.380 3.412 13.699 839 1HB GLU 118 HB2 GLU 118 -11.529 4.523 11.170 840 2HB GLU 118 HB1 GLU 118 -10.434 3.226 11.650 841 1HG GLU 118 HG2 GLU 118 -11.979 1.737 10.974 842 2HG GLU 118 HG1 GLU 118 -13.039 2.315 12.260 843 H GLN 119 HN GLN 119 -11.241 3.785 15.771 844 HA GLN 119 HA GLN 119 -8.323 4.200 15.696 845 1HB GLN 119 HB2 GLN 119 -10.418 3.756 17.836 846 2HB GLN 119 HB1 GLN 119 -8.701 3.903 18.215 847 1HG GLN 119 HG2 GLN 119 -8.605 6.134 17.557 848 2HG GLN 119 HG1 GLN 119 -9.996 5.982 16.482 849 1HE2 GLN 119 HE21 GLN 119 -10.852 7.942 17.678 850 2HE2 GLN 119 HE22 GLN 119 -11.632 7.711 19.167 Start of MODEL 13 1 1H ALA 1 HT1 ALA 1 32.055 21.570 -7.303 2 2H ALA 1 HT2 ALA 1 32.263 23.052 -6.500 3 3H ALA 1 HT3 ALA 1 31.020 21.995 -6.028 4 HA ALA 1 HA ALA 1 32.935 20.331 -5.571 5 1HB ALA 1 HB1 ALA 1 35.007 21.644 -4.984 6 2HB ALA 1 HB2 ALA 1 34.239 23.068 -5.687 7 3HB ALA 1 HB3 ALA 1 34.613 21.676 -6.703 8 H ARG 2 HN ARG 2 31.401 23.268 -4.571 9 HA ARG 2 HA ARG 2 32.109 23.211 -1.767 10 1HB ARG 2 HB2 ARG 2 29.955 24.458 -3.475 11 2HB ARG 2 HB1 ARG 2 29.949 24.663 -1.723 12 1HG ARG 2 HG2 ARG 2 32.085 25.736 -1.745 13 2HG ARG 2 HG1 ARG 2 32.378 25.269 -3.421 14 1HD ARG 2 HD2 ARG 2 30.912 26.882 -4.267 15 2HD ARG 2 HD1 ARG 2 29.976 26.965 -2.761 16 HE ARG 2 HE ARG 2 32.595 28.270 -3.240 17 1HH1 ARG 2 HH21 ARG 2 29.750 29.047 -1.964 18 2HH1 ARG 2 HH22 ARG 2 30.296 29.454 -0.371 19 1HH2 ARG 2 HH11 ARG 2 33.447 28.074 -0.812 20 2HH2 ARG 2 HH12 ARG 2 32.389 28.902 0.282 21 H ILE 3 HN ILE 3 29.550 21.711 -3.698 22 HA ILE 3 HA ILE 3 27.790 20.251 -3.053 23 HB ILE 3 HB ILE 3 30.045 19.393 -1.210 24 1HG1 ILE 3 HG12 ILE 3 29.470 18.758 -4.122 25 2HG1 ILE 3 HG11 ILE 3 30.876 19.614 -3.489 26 1HG2 ILE 3 HG21 ILE 3 28.400 17.336 -2.470 27 2HG2 ILE 3 HG22 ILE 3 27.448 18.414 -1.450 28 3HG2 ILE 3 HG23 ILE 3 28.824 17.544 -0.771 29 1HD1 ILE 3 HD11 ILE 3 30.197 16.697 -3.309 30 2HD1 ILE 3 HD12 ILE 3 31.183 17.430 -2.044 31 3HD1 ILE 3 HD13 ILE 3 31.733 17.460 -3.720 32 H HIS 4 HN HIS 4 26.772 22.287 -1.962 33 HA HIS 4 HA HIS 4 26.855 22.186 1.010 34 1HB HIS 4 HB2 HIS 4 26.698 24.187 -0.929 35 2HB HIS 4 HB1 HIS 4 25.064 24.109 -0.269 36 HD1 HIS 4 HD1 HIS 4 25.812 23.333 2.661 37 HD2 HIS 4 HD2 HIS 4 27.632 26.402 0.505 38 HE1 HIS 4 HE1 HIS 4 26.783 24.931 4.370 39 H HIS 5 HN HIS 5 24.481 21.995 -1.664 40 HA HIS 5 HA HIS 5 22.859 20.046 -0.237 41 1HB HIS 5 HB2 HIS 5 22.548 22.470 0.781 42 2HB HIS 5 HB1 HIS 5 21.516 22.704 -0.629 43 HD1 HIS 5 HD1 HIS 5 19.278 21.451 -0.696 44 HD2 HIS 5 HD2 HIS 5 21.595 20.474 2.630 45 HE1 HIS 5 HE1 HIS 5 17.781 20.120 0.854 46 H HIS 6 HN HIS 6 24.049 20.607 -2.954 47 HA HIS 6 HA HIS 6 21.592 20.015 -4.520 48 1HB HIS 6 HB2 HIS 6 22.261 21.763 -6.177 49 2HB HIS 6 HB1 HIS 6 21.865 22.446 -4.600 50 HD1 HIS 6 HD1 HIS 6 23.816 23.401 -3.179 51 HD2 HIS 6 HD2 HIS 6 25.017 21.919 -6.886 52 HE1 HIS 6 HE1 HIS 6 26.187 24.214 -3.541 53 H HIS 7 HN HIS 7 22.202 18.044 -5.355 54 HA HIS 7 HA HIS 7 24.326 17.854 -7.297 55 1HB HIS 7 HB2 HIS 7 25.843 16.425 -5.958 56 2HB HIS 7 HB1 HIS 7 25.655 18.013 -5.214 57 HD1 HIS 7 HD1 HIS 7 25.023 14.406 -4.647 58 HD2 HIS 7 HD2 HIS 7 23.915 18.015 -2.880 59 HE1 HIS 7 HE1 HIS 7 24.053 13.825 -2.381 60 H HIS 8 HN HIS 8 21.477 17.063 -6.820 61 HA HIS 8 HA HIS 8 20.066 15.180 -7.117 62 1HB HIS 8 HB2 HIS 8 22.391 15.114 -8.934 63 2HB HIS 8 HB1 HIS 8 21.560 13.567 -8.770 64 HD1 HIS 8 HD1 HIS 8 19.612 16.735 -8.397 65 HD2 HIS 8 HD2 HIS 8 20.335 13.878 -11.346 66 HE1 HIS 8 HE1 HIS 8 17.930 17.168 -10.241 67 H HIS 9 HN HIS 9 21.283 14.941 -4.659 68 HA HIS 9 HA HIS 9 21.953 13.355 -3.036 69 1HB HIS 9 HB2 HIS 9 19.942 12.371 -4.643 70 2HB HIS 9 HB1 HIS 9 21.156 11.095 -4.752 71 HD1 HIS 9 HD1 HIS 9 18.456 10.749 -3.169 72 HD2 HIS 9 HD2 HIS 9 22.108 11.798 -1.453 73 HE1 HIS 9 HE1 HIS 9 18.313 10.096 -0.727 74 H ILE 10 HN ILE 10 23.294 11.202 -2.835 75 HA ILE 10 HA ILE 10 25.888 11.538 -3.836 76 HB ILE 10 HB ILE 10 25.447 10.063 -2.012 77 1HG1 ILE 10 HG12 ILE 10 25.926 7.820 -3.815 78 2HG1 ILE 10 HG11 ILE 10 26.906 9.223 -4.245 79 1HG2 ILE 10 HG21 ILE 10 23.360 9.168 -2.052 80 2HG2 ILE 10 HG22 ILE 10 24.118 7.835 -2.923 81 3HG2 ILE 10 HG23 ILE 10 23.313 9.127 -3.814 82 1HD1 ILE 10 HD11 ILE 10 27.269 9.294 -1.593 83 2HD1 ILE 10 HD12 ILE 10 28.287 8.309 -2.644 84 3HD1 ILE 10 HD13 ILE 10 26.950 7.568 -1.764 85 H GLU 11 HN GLU 11 27.015 10.650 -5.643 86 HA GLU 11 HA GLU 11 25.744 10.527 -8.138 87 1HB GLU 11 HB2 GLU 11 28.281 9.367 -6.989 88 2HB GLU 11 HB1 GLU 11 27.870 9.117 -8.686 89 1HG GLU 11 HG2 GLU 11 27.445 11.737 -8.617 90 2HG GLU 11 HG1 GLU 11 28.567 11.654 -7.259 91 H GLY 12 HN GLY 12 26.702 7.738 -6.086 92 1HA GLY 12 HA2 GLY 12 24.540 6.137 -6.138 93 2HA GLY 12 HA1 GLY 12 25.100 5.943 -7.799 94 H ARG 13 HN ARG 13 26.426 5.838 -4.468 95 HA ARG 13 HA ARG 13 28.495 3.913 -5.344 96 1HB ARG 13 HB2 ARG 13 28.978 5.782 -3.787 97 2HB ARG 13 HB1 ARG 13 27.809 5.122 -2.643 98 1HG ARG 13 HG2 ARG 13 29.319 2.920 -3.043 99 2HG ARG 13 HG1 ARG 13 30.539 4.162 -3.326 100 1HD ARG 13 HD2 ARG 13 30.484 4.910 -1.137 101 2HD ARG 13 HD1 ARG 13 28.775 4.478 -0.925 102 HE ARG 13 HE ARG 13 30.328 2.105 -1.397 103 1HH1 ARG 13 HH11 ARG 13 32.097 3.243 0.639 104 2HH1 ARG 13 HH12 ARG 13 31.345 2.781 2.129 105 1HH2 ARG 13 HH21 ARG 13 28.287 2.050 0.671 106 2HH2 ARG 13 HH22 ARG 13 29.191 2.106 2.148 107 H ALA 14 HN ALA 14 26.182 3.937 -2.599 108 HA ALA 14 HA ALA 14 26.248 1.165 -2.063 109 1HB ALA 14 HB1 ALA 14 23.719 1.892 -1.377 110 2HB ALA 14 HB2 ALA 14 24.455 3.482 -1.580 111 3HB ALA 14 HB3 ALA 14 25.139 2.334 -0.429 112 HA PRO 15 HA PRO 15 23.861 -0.740 -5.212 113 1HB PRO 15 HB2 PRO 15 22.229 -2.445 -3.830 114 2HB PRO 15 HB1 PRO 15 23.975 -2.710 -4.002 115 1HG PRO 15 HG2 PRO 15 22.445 -1.623 -1.697 116 2HG PRO 15 HG1 PRO 15 23.857 -2.689 -1.713 117 1HD PRO 15 HD2 PRO 15 23.977 -0.007 -1.188 118 2HD PRO 15 HD1 PRO 15 25.329 -0.949 -1.852 119 H THR 16 HN THR 16 21.237 -1.577 -5.339 120 HA THR 16 HA THR 16 19.701 0.960 -4.886 121 HB THR 16 HB THR 16 19.270 -1.220 -6.952 122 HG1 THR 16 HG1 THR 16 20.848 1.101 -6.931 123 1HG2 THR 16 HG21 THR 16 17.298 0.154 -6.493 124 2HG2 THR 16 HG22 THR 16 17.953 0.556 -8.080 125 3HG2 THR 16 HG23 THR 16 18.250 1.623 -6.708 126 H GLU 17 HN GLU 17 19.278 -2.584 -5.170 127 HA GLU 17 HA GLU 17 16.683 -2.703 -4.035 128 1HB GLU 17 HB2 GLU 17 17.926 -4.444 -5.372 129 2HB GLU 17 HB1 GLU 17 18.890 -4.773 -3.932 130 1HG GLU 17 HG2 GLU 17 16.121 -4.764 -3.190 131 2HG GLU 17 HG1 GLU 17 16.325 -5.820 -4.588 132 H GLN 18 HN GLN 18 16.048 -2.496 -1.916 133 HA GLN 18 HA GLN 18 17.798 -3.268 0.273 134 1HB GLN 18 HB2 GLN 18 18.653 -1.053 -0.315 135 2HB GLN 18 HB1 GLN 18 17.022 -0.384 -0.233 136 1HG GLN 18 HG2 GLN 18 17.176 -0.118 1.997 137 2HG GLN 18 HG1 GLN 18 17.650 -1.804 2.210 138 1HE2 GLN 18 HE21 GLN 18 20.099 -1.728 0.671 139 2HE2 GLN 18 HE22 GLN 18 21.207 -0.751 1.507 140 H SER 19 HN SER 19 14.933 -3.559 -0.915 141 HA SER 19 HA SER 19 12.970 -2.471 0.779 142 1HB SER 19 HB2 SER 19 13.330 -4.903 -0.903 143 2HB SER 19 HB1 SER 19 11.974 -4.917 0.221 144 HG SER 19 HG SER 19 11.117 -3.890 -1.453 145 HA PRO 20 HA PRO 20 14.394 -4.623 4.476 146 1HB PRO 20 HB2 PRO 20 13.243 -2.881 6.237 147 2HB PRO 20 HB1 PRO 20 14.794 -2.556 5.438 148 1HG PRO 20 HG2 PRO 20 12.115 -1.439 4.883 149 2HG PRO 20 HG1 PRO 20 13.711 -0.707 4.679 150 1HD PRO 20 HD2 PRO 20 12.130 -1.786 2.648 151 2HD PRO 20 HD1 PRO 20 13.861 -1.407 2.533 152 H GLY 21 HN GLY 21 11.131 -3.330 3.874 153 1HA GLY 21 HA2 GLY 21 9.328 -5.109 3.805 154 2HA GLY 21 HA1 GLY 21 10.017 -5.704 5.317 155 H VAL 22 HN VAL 22 10.360 -2.455 5.513 156 HA VAL 22 HA VAL 22 7.675 -2.096 6.800 157 HB VAL 22 HB VAL 22 9.075 -0.545 8.324 158 1HG1 VAL 22 HG11 VAL 22 9.847 -2.477 9.686 159 2HG1 VAL 22 HG12 VAL 22 9.559 -3.539 8.307 160 3HG1 VAL 22 HG13 VAL 22 8.208 -2.708 9.078 161 1HG2 VAL 22 HG21 VAL 22 11.028 -0.912 6.514 162 2HG2 VAL 22 HG22 VAL 22 11.409 -2.251 7.597 163 3HG2 VAL 22 HG23 VAL 22 11.375 -0.599 8.215 164 H GLN 23 HN GLN 23 6.602 -0.193 6.269 165 HA GLN 23 HA GLN 23 7.824 2.206 5.365 166 1HB GLN 23 HB2 GLN 23 8.079 0.250 3.518 167 2HB GLN 23 HB1 GLN 23 6.500 0.884 3.052 168 1HG GLN 23 HG2 GLN 23 7.884 3.199 3.440 169 2HG GLN 23 HG1 GLN 23 9.167 2.139 2.854 170 1HE2 GLN 23 HE21 GLN 23 5.698 2.773 2.030 171 2HE2 GLN 23 HE22 GLN 23 5.951 2.778 0.352 172 H ASP 24 HN ASP 24 6.001 2.463 7.075 173 HA ASP 24 HA ASP 24 3.241 2.157 6.255 174 1HB ASP 24 HB2 ASP 24 2.834 3.409 8.331 175 2HB ASP 24 HB1 ASP 24 4.097 2.206 8.595 176 H CYS 25 HN CYS 25 4.169 3.388 4.072 177 HA CYS 25 HA CYS 25 2.817 5.989 4.121 178 1HB CYS 25 HB2 CYS 25 4.654 7.362 3.972 179 2HB CYS 25 HB1 CYS 25 5.362 6.068 4.929 180 H TYR 26 HN TYR 26 2.488 6.821 1.928 181 HA TYR 26 HA TYR 26 3.362 5.095 -0.320 182 1HB TYR 26 HB2 TYR 26 1.092 4.554 -0.947 183 2HB TYR 26 HB1 TYR 26 1.274 4.141 0.756 184 HD1 TYR 26 HD1 TYR 26 -0.032 5.208 2.429 185 HD2 TYR 26 HD2 TYR 26 0.015 6.767 -1.572 186 HE1 TYR 26 HE1 TYR 26 -1.900 6.732 3.002 187 HE2 TYR 26 HE2 TYR 26 -1.852 8.296 -0.998 188 HH TYR 26 HH TYR 26 -3.465 8.730 0.543 189 H HIS 27 HN HIS 27 2.169 6.068 -2.414 190 HA HIS 27 HA HIS 27 2.209 9.060 -2.162 191 1HB HIS 27 HB2 HIS 27 4.080 7.453 -3.363 192 2HB HIS 27 HB1 HIS 27 3.021 7.828 -4.722 193 HD1 HIS 27 HD1 HIS 27 2.672 10.405 -5.273 194 HD2 HIS 27 HD2 HIS 27 5.664 9.597 -2.485 195 HE1 HIS 27 HE1 HIS 27 4.053 12.518 -5.071 196 H GLY 28 HN GLY 28 0.207 9.846 -2.680 197 1HA GLY 28 HA2 GLY 28 -1.683 10.237 -4.056 198 2HA GLY 28 HA1 GLY 28 -1.141 8.934 -5.114 199 H ASP 29 HN ASP 29 -1.550 6.703 -4.385 200 HA ASP 29 HA ASP 29 -3.591 6.416 -2.251 201 1HB ASP 29 HB2 ASP 29 -3.874 5.700 -5.167 202 2HB ASP 29 HB1 ASP 29 -4.950 5.066 -3.921 203 H GLY 30 HN GLY 30 -0.724 5.561 -2.829 204 1HA GLY 30 HA2 GLY 30 0.556 3.631 -2.449 205 2HA GLY 30 HA1 GLY 30 -0.879 2.949 -1.677 206 H GLN 31 HN GLN 31 -1.701 3.985 -4.768 207 HA GLN 31 HA GLN 31 -2.207 1.343 -5.749 208 1HB GLN 31 HB2 GLN 31 -2.226 4.146 -6.731 209 2HB GLN 31 HB1 GLN 31 -2.130 2.902 -7.977 210 1HG GLN 31 HG2 GLN 31 -4.108 1.776 -6.966 211 2HG GLN 31 HG1 GLN 31 -4.233 3.095 -5.801 212 1HE2 GLN 31 HE21 GLN 31 -5.002 5.173 -6.569 213 2HE2 GLN 31 HE22 GLN 31 -5.669 5.367 -8.118 214 H SER 32 HN SER 32 0.448 3.629 -6.424 215 HA SER 32 HA SER 32 1.833 1.630 -8.105 216 1HB SER 32 HB2 SER 32 1.680 4.434 -7.891 217 2HB SER 32 HB1 SER 32 3.320 4.023 -7.397 218 HG SER 32 HG SER 32 3.750 3.509 -9.385 219 H TYR 33 HN TYR 33 1.389 1.176 -5.157 220 HA TYR 33 HA TYR 33 3.774 1.619 -3.655 221 1HB TYR 33 HB2 TYR 33 1.509 0.920 -2.824 222 2HB TYR 33 HB1 TYR 33 1.805 -0.686 -3.495 223 HD1 TYR 33 HD1 TYR 33 3.976 -1.897 -2.744 224 HD2 TYR 33 HD2 TYR 33 2.262 1.447 -0.667 225 HE1 TYR 33 HE1 TYR 33 5.282 -2.485 -0.718 226 HE2 TYR 33 HE2 TYR 33 3.567 0.859 1.360 227 HH TYR 33 HH TYR 33 6.123 -1.421 1.297 228 H ARG 34 HN ARG 34 5.475 0.052 -3.123 229 HA ARG 34 HA ARG 34 6.900 -1.107 -5.179 230 1HB ARG 34 HB2 ARG 34 6.528 -1.776 -2.268 231 2HB ARG 34 HB1 ARG 34 7.601 -2.767 -3.257 232 1HG ARG 34 HG2 ARG 34 8.497 -0.364 -4.017 233 2HG ARG 34 HG1 ARG 34 7.886 0.088 -2.426 234 1HD ARG 34 HD2 ARG 34 9.324 -1.471 -1.317 235 2HD ARG 34 HD1 ARG 34 9.728 -2.287 -2.842 236 HE ARG 34 HE ARG 34 10.388 0.604 -2.561 237 1HH1 ARG 34 HH11 ARG 34 11.151 -1.946 -4.429 238 2HH1 ARG 34 HH12 ARG 34 12.860 -1.930 -4.148 239 1HH2 ARG 34 HH21 ARG 34 12.675 0.317 -1.513 240 2HH2 ARG 34 HH22 ARG 34 13.723 -0.650 -2.497 241 H GLY 35 HN GLY 35 5.657 -3.618 -3.055 242 1HA GLY 35 HA2 GLY 35 3.598 -4.682 -4.631 243 2HA GLY 35 HA1 GLY 35 5.085 -5.328 -5.302 244 H SER 36 HN SER 36 4.728 -4.687 -1.841 245 HA SER 36 HA SER 36 4.057 -7.490 -1.266 246 1HB SER 36 HB2 SER 36 6.247 -8.002 -0.277 247 2HB SER 36 HB1 SER 36 6.449 -7.527 -1.961 248 HG SER 36 HG SER 36 7.765 -6.515 -0.093 249 H PHE 37 HN PHE 37 3.002 -4.850 -0.464 250 HA PHE 37 HA PHE 37 3.856 -4.498 2.342 251 1HB PHE 37 HB2 PHE 37 3.123 -2.670 0.724 252 2HB PHE 37 HB1 PHE 37 1.481 -3.278 0.927 253 HD1 PHE 37 HD1 PHE 37 0.182 -2.278 2.585 254 HD2 PHE 37 HD2 PHE 37 4.448 -2.431 3.072 255 HE1 PHE 37 HE1 PHE 37 -0.017 -1.066 4.743 256 HE2 PHE 37 HE2 PHE 37 4.247 -1.216 5.224 257 HZ PHE 37 HZ PHE 37 2.015 -0.540 6.062 258 H SER 38 HN SER 38 3.031 -7.075 2.164 259 HA SER 38 HA SER 38 0.239 -7.553 2.592 260 1HB SER 38 HB2 SER 38 1.835 -9.266 1.967 261 2HB SER 38 HB1 SER 38 2.769 -8.986 3.431 262 HG SER 38 HG SER 38 1.498 -10.636 3.999 263 H THR 39 HN THR 39 0.753 -5.303 4.235 264 HA THR 39 HA THR 39 0.584 -6.515 6.974 265 HB THR 39 HB THR 39 1.587 -3.749 6.240 266 HG1 THR 39 HG1 THR 39 2.940 -6.216 6.504 267 1HG2 THR 39 HG21 THR 39 2.157 -5.424 8.690 268 2HG2 THR 39 HG22 THR 39 0.791 -4.313 8.602 269 3HG2 THR 39 HG23 THR 39 2.438 -3.697 8.468 270 H THR 40 HN THR 40 -1.423 -6.215 7.852 271 HA THR 40 HA THR 40 -3.314 -4.328 6.605 272 HB THR 40 HB THR 40 -4.901 -5.468 8.105 273 HG1 THR 40 HG1 THR 40 -4.058 -6.050 9.929 274 1HG2 THR 40 HG21 THR 40 -3.612 -7.909 7.441 275 2HG2 THR 40 HG22 THR 40 -3.205 -6.749 6.176 276 3HG2 THR 40 HG23 THR 40 -4.895 -7.089 6.551 277 H VAL 41 HN VAL 41 -4.443 -2.691 7.879 278 HA VAL 41 HA VAL 41 -2.877 -0.921 9.363 279 HB VAL 41 HB VAL 41 -5.828 -1.575 9.343 280 1HG1 VAL 41 HG11 VAL 41 -4.313 0.254 11.117 281 2HG1 VAL 41 HG12 VAL 41 -5.902 -0.476 11.346 282 3HG1 VAL 41 HG13 VAL 41 -5.728 0.957 10.333 283 1HG2 VAL 41 HG21 VAL 41 -5.991 0.201 7.824 284 2HG2 VAL 41 HG22 VAL 41 -4.436 -0.509 7.389 285 3HG2 VAL 41 HG23 VAL 41 -4.493 0.946 8.384 286 H THR 42 HN THR 42 -4.380 -3.899 10.429 287 HA THR 42 HA THR 42 -4.032 -3.281 13.294 288 HB THR 42 HB THR 42 -4.732 -5.918 11.983 289 HG1 THR 42 HG1 THR 42 -6.395 -3.690 12.541 290 1HG2 THR 42 HG21 THR 42 -6.306 -5.572 14.203 291 2HG2 THR 42 HG22 THR 42 -4.819 -4.756 14.687 292 3HG2 THR 42 HG23 THR 42 -4.775 -6.447 14.189 293 H GLY 43 HN GLY 43 -2.027 -4.317 10.799 294 1HA GLY 43 HA2 GLY 43 0.274 -4.910 11.023 295 2HA GLY 43 HA1 GLY 43 -0.006 -5.245 12.732 296 H ARG 44 HN ARG 44 -2.436 -6.665 10.911 297 HA ARG 44 HA ARG 44 -1.485 -9.352 11.487 298 1HB ARG 44 HB2 ARG 44 -3.891 -8.165 11.194 299 2HB ARG 44 HB1 ARG 44 -3.706 -8.834 9.572 300 1HG ARG 44 HG2 ARG 44 -4.394 -10.812 10.401 301 2HG ARG 44 HG1 ARG 44 -2.877 -10.885 11.300 302 1HD ARG 44 HD2 ARG 44 -4.625 -11.120 12.936 303 2HD ARG 44 HD1 ARG 44 -4.056 -9.445 13.084 304 HE ARG 44 HE ARG 44 -6.240 -9.867 11.152 305 1HH1 ARG 44 HH11 ARG 44 -6.206 -10.128 14.445 306 2HH1 ARG 44 HH12 ARG 44 -7.222 -8.762 14.766 307 1HH2 ARG 44 HH21 ARG 44 -7.139 -7.604 11.498 308 2HH2 ARG 44 HH22 ARG 44 -7.749 -7.330 13.096 309 H THR 45 HN THR 45 -2.121 -10.844 9.297 310 HA THR 45 HA THR 45 -0.130 -9.931 7.247 311 HB THR 45 HB THR 45 -0.996 -12.683 8.192 312 HG1 THR 45 HG1 THR 45 1.154 -10.973 8.681 313 1HG2 THR 45 HG21 THR 45 1.129 -13.251 6.741 314 2HG2 THR 45 HG22 THR 45 0.710 -11.753 5.910 315 3HG2 THR 45 HG23 THR 45 -0.447 -13.083 5.969 316 H CYS 46 HN CYS 46 -1.199 -9.249 5.418 317 HA CYS 46 HA CYS 46 -3.853 -9.567 4.701 318 1HB CYS 46 HB2 CYS 46 -2.589 -8.104 3.381 319 2HB CYS 46 HB1 CYS 46 -1.268 -9.255 3.202 320 H GLN 47 HN GLN 47 -5.081 -11.217 3.780 321 HA GLN 47 HA GLN 47 -3.833 -13.896 3.656 322 1HB GLN 47 HB2 GLN 47 -5.893 -13.933 4.759 323 2HB GLN 47 HB1 GLN 47 -6.606 -12.727 3.691 324 1HG GLN 47 HG2 GLN 47 -7.575 -14.916 3.211 325 2HG GLN 47 HG1 GLN 47 -6.573 -14.407 1.851 326 1HE2 GLN 47 HE21 GLN 47 -6.311 -16.326 4.896 327 2HE2 GLN 47 HE22 GLN 47 -5.208 -17.451 4.265 328 H SER 48 HN SER 48 -3.368 -14.896 1.684 329 HA SER 48 HA SER 48 -2.964 -13.711 -0.735 330 1HB SER 48 HB2 SER 48 -3.759 -16.416 0.192 331 2HB SER 48 HB1 SER 48 -3.913 -16.122 -1.538 332 HG SER 48 HG SER 48 -1.838 -16.816 -1.152 333 H TRP 49 HN TRP 49 -4.230 -12.849 -2.377 334 HA TRP 49 HA TRP 49 -6.970 -12.216 -1.981 335 1HB TRP 49 HB2 TRP 49 -5.344 -12.576 -4.529 336 2HB TRP 49 HB1 TRP 49 -6.845 -11.657 -4.402 337 HD1 TRP 49 HD1 TRP 49 -3.139 -11.442 -3.663 338 HE1 TRP 49 HE1 TRP 49 -2.596 -9.095 -2.794 339 HE3 TRP 49 HE3 TRP 49 -7.819 -9.626 -2.985 340 HZ2 TRP 49 HZ2 TRP 49 -3.940 -6.753 -1.913 341 HZ3 TRP 49 HZ3 TRP 49 -8.191 -7.329 -2.123 342 HH2 TRP 49 HH2 TRP 49 -6.246 -5.884 -1.584 343 H SER 50 HN SER 50 -5.373 -14.794 -3.765 344 HA SER 50 HA SER 50 -7.833 -16.196 -4.489 345 1HB SER 50 HB2 SER 50 -5.770 -16.127 -5.846 346 2HB SER 50 HB1 SER 50 -4.884 -16.910 -4.541 347 HG SER 50 HG SER 50 -5.512 -18.682 -5.489 348 H SER 51 HN SER 51 -7.238 -15.746 -1.535 349 HA SER 51 HA SER 51 -6.291 -18.083 -0.245 350 1HB SER 51 HB2 SER 51 -7.619 -17.132 1.662 351 2HB SER 51 HB1 SER 51 -6.614 -15.939 0.849 352 HG SER 51 HG SER 51 -9.232 -15.902 1.209 353 H MET 52 HN MET 52 -7.220 -20.059 0.087 354 HA MET 52 HA MET 52 -10.148 -20.369 -0.509 355 1HB MET 52 HB2 MET 52 -8.101 -22.477 -1.155 356 2HB MET 52 HB1 MET 52 -9.663 -22.191 -1.903 357 1HG MET 52 HG2 MET 52 -8.264 -19.839 -2.383 358 2HG MET 52 HG1 MET 52 -7.062 -21.103 -2.618 359 1HE MET 52 HE1 MET 52 -9.268 -18.927 -4.411 360 2HE MET 52 HE2 MET 52 -10.422 -19.687 -3.319 361 3HE MET 52 HE3 MET 52 -10.602 -19.890 -5.060 362 H THR 53 HN THR 53 -7.877 -20.545 1.874 363 HA THR 53 HA THR 53 -8.728 -23.144 3.017 364 HB THR 53 HB THR 53 -7.067 -21.854 4.826 365 HG1 THR 53 HG1 THR 53 -5.463 -20.949 3.454 366 1HG2 THR 53 HG21 THR 53 -7.001 -24.179 3.679 367 2HG2 THR 53 HG22 THR 53 -5.468 -23.438 4.143 368 3HG2 THR 53 HG23 THR 53 -6.001 -23.385 2.462 369 HA PRO 54 HA PRO 54 -10.314 -20.358 6.514 370 1HB PRO 54 HB2 PRO 54 -9.932 -17.652 6.368 371 2HB PRO 54 HB1 PRO 54 -8.744 -18.754 7.091 372 1HG PRO 54 HG2 PRO 54 -8.760 -17.497 4.392 373 2HG PRO 54 HG1 PRO 54 -7.405 -17.793 5.492 374 1HD PRO 54 HD2 PRO 54 -7.951 -19.352 3.321 375 2HD PRO 54 HD1 PRO 54 -7.127 -19.947 4.779 376 H HIS 55 HN HIS 55 -10.612 -17.451 4.598 377 HA HIS 55 HA HIS 55 -13.459 -18.175 4.028 378 1HB HIS 55 HB2 HIS 55 -13.441 -15.569 3.559 379 2HB HIS 55 HB1 HIS 55 -13.459 -16.162 5.217 380 HD1 HIS 55 HD1 HIS 55 -11.115 -16.182 6.483 381 HD2 HIS 55 HD2 HIS 55 -11.148 -14.117 2.863 382 HE1 HIS 55 HE1 HIS 55 -9.023 -14.758 6.455 383 H TRP 56 HN TRP 56 -12.999 -19.416 2.122 384 HA TRP 56 HA TRP 56 -11.329 -18.792 -0.026 385 1HB TRP 56 HB2 TRP 56 -12.695 -20.853 0.309 386 2HB TRP 56 HB1 TRP 56 -14.142 -19.936 -0.108 387 HD1 TRP 56 HD1 TRP 56 -13.417 -18.398 -2.593 388 HE1 TRP 56 HE1 TRP 56 -12.739 -19.503 -4.787 389 HE3 TRP 56 HE3 TRP 56 -11.916 -22.916 -0.837 390 HZ2 TRP 56 HZ2 TRP 56 -11.697 -21.978 -5.705 391 HZ3 TRP 56 HZ3 TRP 56 -11.061 -24.627 -2.408 392 HH2 TRP 56 HH2 TRP 56 -10.955 -24.178 -4.835 393 H HIS 57 HN HIS 57 -11.387 -17.316 -1.681 394 HA HIS 57 HA HIS 57 -13.798 -15.547 -1.889 395 1HB HIS 57 HB2 HIS 57 -12.377 -13.849 -1.399 396 2HB HIS 57 HB1 HIS 57 -11.068 -15.010 -1.221 397 HD1 HIS 57 HD1 HIS 57 -10.055 -15.785 -3.736 398 HD2 HIS 57 HD2 HIS 57 -11.857 -12.041 -3.408 399 HE1 HIS 57 HE1 HIS 57 -9.287 -14.446 -5.740 400 H GLN 58 HN GLN 58 -13.340 -14.277 -4.242 401 HA GLN 58 HA GLN 58 -12.438 -16.226 -6.285 402 1HB GLN 58 HB2 GLN 58 -15.107 -16.082 -5.387 403 2HB GLN 58 HB1 GLN 58 -15.093 -15.256 -6.945 404 1HG GLN 58 HG2 GLN 58 -13.672 -17.313 -7.728 405 2HG GLN 58 HG1 GLN 58 -14.368 -18.104 -6.313 406 1HE2 GLN 58 HE21 GLN 58 -14.957 -18.747 -9.152 407 2HE2 GLN 58 HE22 GLN 58 -16.622 -18.487 -9.360 408 H ARG 59 HN ARG 59 -14.066 -13.090 -5.698 409 HA ARG 59 HA ARG 59 -13.171 -12.026 -8.287 410 1HB ARG 59 HB2 ARG 59 -14.733 -11.069 -5.900 411 2HB ARG 59 HB1 ARG 59 -14.200 -9.914 -7.123 412 1HG ARG 59 HG2 ARG 59 -15.656 -10.702 -8.690 413 2HG ARG 59 HG1 ARG 59 -15.456 -12.379 -8.179 414 1HD ARG 59 HD2 ARG 59 -16.814 -11.780 -6.097 415 2HD ARG 59 HD1 ARG 59 -17.215 -10.257 -6.916 416 HE ARG 59 HE ARG 59 -18.433 -11.500 -8.570 417 1HH1 ARG 59 HH21 ARG 59 -19.086 -13.081 -6.010 418 2HH1 ARG 59 HH22 ARG 59 -18.891 -14.704 -6.581 419 1HH2 ARG 59 HH11 ARG 59 -17.175 -13.771 -9.447 420 2HH2 ARG 59 HH12 ARG 59 -17.805 -15.096 -8.526 421 H THR 60 HN THR 60 -11.092 -11.337 -8.532 422 HA THR 60 HA THR 60 -9.849 -9.713 -6.352 423 HB THR 60 HB THR 60 -8.899 -11.866 -5.956 424 HG1 THR 60 HG1 THR 60 -7.152 -10.667 -6.052 425 1HG2 THR 60 HG21 THR 60 -9.858 -12.852 -8.071 426 2HG2 THR 60 HG22 THR 60 -8.211 -13.380 -7.721 427 3HG2 THR 60 HG23 THR 60 -8.500 -12.142 -8.943 428 H THR 61 HN THR 61 -7.946 -8.526 -7.179 429 HA THR 61 HA THR 61 -8.353 -7.615 -9.949 430 HB THR 61 HB THR 61 -7.787 -6.150 -7.935 431 HG1 THR 61 HG1 THR 61 -7.221 -5.844 -10.334 432 1HG2 THR 61 HG21 THR 61 -5.288 -7.786 -8.154 433 2HG2 THR 61 HG22 THR 61 -6.156 -7.254 -6.716 434 3HG2 THR 61 HG23 THR 61 -5.174 -6.110 -7.627 435 H GLU 62 HN GLU 62 -6.665 -10.069 -8.299 436 HA GLU 62 HA GLU 62 -4.247 -10.290 -9.772 437 1HB GLU 62 HB2 GLU 62 -4.785 -11.474 -7.657 438 2HB GLU 62 HB1 GLU 62 -6.038 -12.387 -8.496 439 1HG GLU 62 HG2 GLU 62 -4.103 -13.063 -10.121 440 2HG GLU 62 HG1 GLU 62 -3.051 -12.573 -8.793 441 H TYR 63 HN TYR 63 -7.570 -11.224 -10.334 442 HA TYR 63 HA TYR 63 -7.135 -12.902 -12.615 443 1HB TYR 63 HB2 TYR 63 -9.322 -11.573 -11.172 444 2HB TYR 63 HB1 TYR 63 -9.627 -11.710 -12.903 445 HD1 TYR 63 HD1 TYR 63 -10.454 -13.273 -10.041 446 HD2 TYR 63 HD2 TYR 63 -8.426 -14.180 -13.717 447 HE1 TYR 63 HE1 TYR 63 -11.012 -15.672 -9.757 448 HE2 TYR 63 HE2 TYR 63 -8.984 -16.579 -13.433 449 HH TYR 63 HH TYR 63 -9.688 -18.130 -11.894 450 H TYR 64 HN TYR 64 -6.732 -9.578 -12.069 451 HA TYR 64 HA TYR 64 -6.968 -8.906 -14.979 452 1HB TYR 64 HB2 TYR 64 -7.031 -7.270 -12.426 453 2HB TYR 64 HB1 TYR 64 -7.033 -6.558 -14.039 454 HD1 TYR 64 HD1 TYR 64 -9.089 -6.073 -15.007 455 HD2 TYR 64 HD2 TYR 64 -8.830 -9.230 -12.108 456 HE1 TYR 64 HE1 TYR 64 -11.541 -6.411 -15.159 457 HE2 TYR 64 HE2 TYR 64 -11.282 -9.570 -12.258 458 HH TYR 64 HH TYR 64 -13.259 -7.691 -14.548 459 HA PRO 65 HA PRO 65 -2.606 -8.584 -14.964 460 1HB PRO 65 HB2 PRO 65 -2.265 -6.937 -17.130 461 2HB PRO 65 HB1 PRO 65 -2.712 -8.649 -17.278 462 1HG PRO 65 HG2 PRO 65 -4.414 -6.223 -17.487 463 2HG PRO 65 HG1 PRO 65 -4.501 -7.748 -18.382 464 1HD PRO 65 HD2 PRO 65 -6.157 -7.084 -16.293 465 2HD PRO 65 HD1 PRO 65 -5.793 -8.751 -16.792 466 H ASN 66 HN ASN 66 -4.680 -6.130 -14.105 467 HA ASN 66 HA ASN 66 -2.609 -4.010 -13.896 468 1HB ASN 66 HB2 ASN 66 -5.503 -4.041 -12.989 469 2HB ASN 66 HB1 ASN 66 -4.495 -2.622 -13.279 470 1HD2 ASN 66 HD21 ASN 66 -6.994 -3.088 -14.671 471 2HD2 ASN 66 HD22 ASN 66 -6.634 -3.316 -16.314 472 H GLY 67 HN GLY 67 -3.580 -6.660 -12.092 473 1HA GLY 67 HA2 GLY 67 -2.388 -5.478 -9.642 474 2HA GLY 67 HA1 GLY 67 -3.967 -6.257 -9.510 475 H GLY 68 HN GLY 68 -0.561 -6.830 -10.256 476 1HA GLY 68 HA2 GLY 68 -0.712 -9.611 -10.789 477 2HA GLY 68 HA1 GLY 68 0.702 -8.800 -10.111 478 H LEU 69 HN LEU 69 -1.155 -7.842 -7.864 479 HA LEU 69 HA LEU 69 -1.258 -8.551 -5.593 480 1HB LEU 69 HB2 LEU 69 -2.891 -10.445 -7.283 481 2HB LEU 69 HB1 LEU 69 -2.935 -10.506 -5.522 482 HG LEU 69 HG LEU 69 -3.714 -8.212 -7.316 483 1HD1 LEU 69 HD11 LEU 69 -5.740 -9.178 -6.983 484 2HD1 LEU 69 HD12 LEU 69 -5.612 -8.658 -5.304 485 3HD1 LEU 69 HD13 LEU 69 -5.085 -10.275 -5.770 486 1HD2 LEU 69 HD21 LEU 69 -2.833 -6.877 -5.694 487 2HD2 LEU 69 HD22 LEU 69 -2.726 -8.198 -4.533 488 3HD2 LEU 69 HD23 LEU 69 -4.255 -7.354 -4.768 489 H THR 70 HN THR 70 1.180 -9.235 -6.160 490 HA THR 70 HA THR 70 2.022 -11.887 -6.455 491 HB THR 70 HB THR 70 3.265 -10.146 -4.348 492 HG1 THR 70 HG1 THR 70 4.149 -9.150 -6.497 493 1HG2 THR 70 HG21 THR 70 4.624 -11.271 -6.771 494 2HG2 THR 70 HG22 THR 70 4.157 -12.365 -5.469 495 3HG2 THR 70 HG23 THR 70 5.261 -11.029 -5.144 496 H ARG 71 HN ARG 71 1.237 -13.646 -5.365 497 HA ARG 71 HA ARG 71 0.191 -14.888 -3.632 498 1HB ARG 71 HB2 ARG 71 1.729 -14.982 -1.695 499 2HB ARG 71 HB1 ARG 71 2.607 -14.995 -3.222 500 1HG ARG 71 HG2 ARG 71 3.220 -12.697 -2.999 501 2HG ARG 71 HG1 ARG 71 2.087 -12.453 -1.669 502 1HD ARG 71 HD2 ARG 71 3.378 -13.972 -0.245 503 2HD ARG 71 HD1 ARG 71 4.501 -14.288 -1.582 504 HE ARG 71 HE ARG 71 4.356 -11.484 -1.302 505 1HH1 ARG 71 HH21 ARG 71 5.318 -14.256 0.522 506 2HH1 ARG 71 HH22 ARG 71 6.527 -13.403 1.422 507 1HH2 ARG 71 HH11 ARG 71 5.928 -10.363 -0.132 508 2HH2 ARG 71 HH12 ARG 71 6.871 -11.203 1.053 509 H ASN 72 HN ASN 72 0.835 -13.532 -0.781 510 HA ASN 72 HA ASN 72 -1.839 -12.322 -0.522 511 1HB ASN 72 HB2 ASN 72 -1.235 -12.342 1.846 512 2HB ASN 72 HB1 ASN 72 -0.752 -13.879 1.125 513 1HD2 ASN 72 HD21 ASN 72 0.605 -10.605 1.779 514 2HD2 ASN 72 HD22 ASN 72 2.182 -11.153 2.081 515 H TYR 73 HN TYR 73 0.227 -10.900 -2.192 516 HA TYR 73 HA TYR 73 1.389 -8.718 -0.725 517 1HB TYR 73 HB2 TYR 73 2.287 -9.177 -2.846 518 2HB TYR 73 HB1 TYR 73 0.699 -9.347 -3.591 519 HD1 TYR 73 HD1 TYR 73 0.323 -7.688 -5.174 520 HD2 TYR 73 HD2 TYR 73 2.342 -6.669 -1.524 521 HE1 TYR 73 HE1 TYR 73 0.376 -5.310 -5.870 522 HE2 TYR 73 HE2 TYR 73 2.397 -4.289 -2.219 523 HH TYR 73 HH TYR 73 1.617 -2.790 -3.701 524 H CYS 74 HN CYS 74 0.604 -6.688 -0.256 525 HA CYS 74 HA CYS 74 -2.303 -6.298 -0.221 526 1HB CYS 74 HB2 CYS 74 -0.725 -5.586 1.569 527 2HB CYS 74 HB1 CYS 74 0.007 -4.445 0.441 528 H ARG 75 HN ARG 75 -3.483 -4.790 -1.504 529 HA ARG 75 HA ARG 75 -2.011 -3.159 -3.497 530 1HB ARG 75 HB2 ARG 75 -3.070 -5.773 -3.988 531 2HB ARG 75 HB1 ARG 75 -4.031 -4.611 -4.901 532 1HG ARG 75 HG2 ARG 75 -1.255 -3.896 -5.111 533 2HG ARG 75 HG1 ARG 75 -1.448 -5.597 -5.538 534 1HD ARG 75 HD2 ARG 75 -3.440 -4.816 -6.996 535 2HD ARG 75 HD1 ARG 75 -2.753 -3.190 -6.814 536 HE ARG 75 HE ARG 75 -1.276 -5.514 -7.990 537 1HH1 ARG 75 HH11 ARG 75 -2.374 -3.068 -9.529 538 2HH1 ARG 75 HH12 ARG 75 -0.917 -2.157 -9.748 539 1HH2 ARG 75 HH21 ARG 75 0.873 -3.942 -7.376 540 2HH2 ARG 75 HH22 ARG 75 0.919 -2.652 -8.531 541 H ASN 76 HN ASN 76 -3.305 -1.467 -4.355 542 HA ASN 76 HA ASN 76 -5.983 -1.122 -3.052 543 1HB ASN 76 HB2 ASN 76 -4.092 0.466 -2.524 544 2HB ASN 76 HB1 ASN 76 -4.090 0.938 -4.216 545 1HD2 ASN 76 HD21 ASN 76 -4.706 2.774 -2.054 546 2HD2 ASN 76 HD22 ASN 76 -6.324 3.254 -2.237 547 HA PRO 77 HA PRO 77 -6.646 -1.601 -7.622 548 1HB PRO 77 HB2 PRO 77 -8.744 -3.344 -7.398 549 2HB PRO 77 HB1 PRO 77 -7.049 -3.871 -7.444 550 1HG PRO 77 HG2 PRO 77 -8.872 -3.562 -5.112 551 2HG PRO 77 HG1 PRO 77 -7.650 -4.801 -5.434 552 1HD PRO 77 HD2 PRO 77 -7.264 -2.706 -3.729 553 2HD PRO 77 HD1 PRO 77 -5.947 -3.524 -4.599 554 H ASP 78 HN ASP 78 -8.187 -0.284 -4.976 555 HA ASP 78 HA ASP 78 -10.581 0.582 -6.556 556 1HB ASP 78 HB2 ASP 78 -10.112 -0.329 -3.881 557 2HB ASP 78 HB1 ASP 78 -10.680 1.338 -3.800 558 H ALA 79 HN ALA 79 -7.548 1.622 -5.395 559 HA ALA 79 HA ALA 79 -6.490 3.730 -5.514 560 1HB ALA 79 HB1 ALA 79 -9.056 4.683 -6.797 561 2HB ALA 79 HB2 ALA 79 -7.912 3.656 -7.662 562 3HB ALA 79 HB3 ALA 79 -7.413 5.249 -7.094 563 H GLU 80 HN GLU 80 -8.048 3.021 -3.145 564 HA GLU 80 HA GLU 80 -9.509 5.454 -2.336 565 1HB GLU 80 HB2 GLU 80 -8.625 3.266 -0.470 566 2HB GLU 80 HB1 GLU 80 -10.143 4.160 -0.488 567 1HG GLU 80 HG2 GLU 80 -10.172 2.895 -2.936 568 2HG GLU 80 HG1 GLU 80 -9.409 1.692 -1.895 569 H ILE 81 HN ILE 81 -8.590 5.557 0.373 570 HA ILE 81 HA ILE 81 -6.406 7.365 0.228 571 HB ILE 81 HB ILE 81 -6.272 6.866 2.694 572 1HG1 ILE 81 HG12 ILE 81 -8.410 5.268 3.231 573 2HG1 ILE 81 HG11 ILE 81 -7.789 4.510 1.764 574 1HG2 ILE 81 HG21 ILE 81 -7.868 8.497 2.284 575 2HG2 ILE 81 HG22 ILE 81 -8.855 7.248 3.046 576 3HG2 ILE 81 HG23 ILE 81 -8.855 7.424 1.291 577 1HD1 ILE 81 HD11 ILE 81 -6.768 4.248 4.381 578 2HD1 ILE 81 HD12 ILE 81 -5.602 5.232 3.496 579 3HD1 ILE 81 HD13 ILE 81 -6.051 3.638 2.890 580 H SER 82 HN SER 82 -6.547 3.874 0.546 581 HA SER 82 HA SER 82 -3.763 3.559 -0.269 582 1HB SER 82 HB2 SER 82 -2.809 3.285 1.782 583 2HB SER 82 HB1 SER 82 -4.244 4.095 2.404 584 HG SER 82 HG SER 82 -3.775 2.011 3.366 585 HA PRO 83 HA PRO 83 -5.213 -0.450 -1.286 586 1HB PRO 83 HB2 PRO 83 -3.129 -2.103 -0.656 587 2HB PRO 83 HB1 PRO 83 -3.088 -0.979 -2.028 588 1HG PRO 83 HG2 PRO 83 -1.857 -0.733 0.659 589 2HG PRO 83 HG1 PRO 83 -1.242 -0.212 -0.916 590 1HD PRO 83 HD2 PRO 83 -2.373 1.479 0.927 591 2HD PRO 83 HD1 PRO 83 -2.334 1.791 -0.822 592 H TRP 84 HN TRP 84 -5.725 -2.642 -0.445 593 HA TRP 84 HA TRP 84 -5.740 -2.858 2.537 594 1HB TRP 84 HB2 TRP 84 -8.181 -3.634 2.222 595 2HB TRP 84 HB1 TRP 84 -7.869 -1.908 2.043 596 HD1 TRP 84 HD1 TRP 84 -7.680 -0.966 -0.500 597 HE1 TRP 84 HE1 TRP 84 -8.839 -1.777 -2.655 598 HE3 TRP 84 HE3 TRP 84 -9.087 -5.649 0.967 599 HZ2 TRP 84 HZ2 TRP 84 -10.185 -4.105 -3.627 600 HZ3 TRP 84 HZ3 TRP 84 -10.305 -7.141 -0.591 601 HH2 TRP 84 HH2 TRP 84 -10.856 -6.376 -2.885 602 H CYS 85 HN CYS 85 -6.826 -5.247 2.976 603 HA CYS 85 HA CYS 85 -6.285 -7.225 0.908 604 1HB CYS 85 HB2 CYS 85 -4.091 -6.118 2.208 605 2HB CYS 85 HB1 CYS 85 -4.360 -7.629 3.076 606 H TYR 86 HN TYR 86 -7.058 -9.265 1.535 607 HA TYR 86 HA TYR 86 -8.890 -9.480 3.697 608 1HB TYR 86 HB2 TYR 86 -7.297 -11.618 2.241 609 2HB TYR 86 HB1 TYR 86 -8.802 -11.880 3.124 610 HD1 TYR 86 HD1 TYR 86 -10.170 -9.275 2.325 611 HD2 TYR 86 HD2 TYR 86 -8.045 -12.224 0.035 612 HE1 TYR 86 HE1 TYR 86 -11.465 -8.642 0.308 613 HE2 TYR 86 HE2 TYR 86 -9.342 -11.590 -1.982 614 HH TYR 86 HH TYR 86 -12.086 -10.102 -2.011 615 H THR 87 HN THR 87 -8.500 -11.317 5.454 616 HA THR 87 HA THR 87 -5.843 -10.743 6.723 617 HB THR 87 HB THR 87 -7.443 -11.781 8.676 618 HG1 THR 87 HG1 THR 87 -9.328 -11.917 7.739 619 1HG2 THR 87 HG21 THR 87 -7.283 -9.696 9.560 620 2HG2 THR 87 HG22 THR 87 -7.953 -8.927 8.122 621 3HG2 THR 87 HG23 THR 87 -6.252 -9.393 8.162 622 H MET 88 HN MET 88 -4.480 -12.471 7.020 623 HA MET 88 HA MET 88 -4.957 -15.047 5.927 624 1HB MET 88 HB2 MET 88 -2.782 -13.869 6.529 625 2HB MET 88 HB1 MET 88 -3.096 -14.320 8.204 626 1HG MET 88 HG2 MET 88 -2.109 -16.298 7.766 627 2HG MET 88 HG1 MET 88 -3.489 -16.679 6.737 628 1HE MET 88 HE1 MET 88 0.667 -16.631 5.648 629 2HE MET 88 HE2 MET 88 -0.453 -17.962 5.930 630 3HE MET 88 HE3 MET 88 -0.191 -16.758 7.189 631 H ASP 89 HN ASP 89 -6.361 -13.704 8.736 632 HA ASP 89 HA ASP 89 -6.640 -16.369 10.033 633 1HB ASP 89 HB2 ASP 89 -7.241 -13.573 11.053 634 2HB ASP 89 HB1 ASP 89 -7.188 -15.051 12.015 635 HA PRO 90 HA PRO 90 -10.804 -16.458 8.604 636 1HB PRO 90 HB2 PRO 90 -11.750 -18.337 10.362 637 2HB PRO 90 HB1 PRO 90 -10.711 -18.742 8.980 638 1HG PRO 90 HG2 PRO 90 -9.999 -18.425 11.854 639 2HG PRO 90 HG1 PRO 90 -9.405 -19.597 10.667 640 1HD PRO 90 HD2 PRO 90 -7.998 -17.385 11.429 641 2HD PRO 90 HD1 PRO 90 -7.830 -18.151 9.833 642 H ASN 91 HN ASN 91 -9.768 -15.184 11.524 643 HA ASN 91 HA ASN 91 -12.459 -14.699 12.653 644 1HB ASN 91 HB2 ASN 91 -9.708 -14.757 13.521 645 2HB ASN 91 HB1 ASN 91 -10.424 -13.205 13.957 646 1HD2 ASN 91 HD21 ASN 91 -11.040 -16.743 14.195 647 2HD2 ASN 91 HD22 ASN 91 -11.947 -16.640 15.626 648 H VAL 92 HN VAL 92 -10.392 -13.283 10.353 649 HA VAL 92 HA VAL 92 -11.828 -10.665 10.629 650 HB VAL 92 HB VAL 92 -8.950 -11.234 9.817 651 1HG1 VAL 92 HG11 VAL 92 -9.743 -9.269 8.661 652 2HG1 VAL 92 HG12 VAL 92 -8.799 -8.702 10.038 653 3HG1 VAL 92 HG13 VAL 92 -10.561 -8.675 10.106 654 1HG2 VAL 92 HG21 VAL 92 -9.568 -9.558 12.177 655 2HG2 VAL 92 HG22 VAL 92 -8.345 -10.813 11.976 656 3HG2 VAL 92 HG23 VAL 92 -10.010 -11.256 12.351 657 H ARG 93 HN ARG 93 -12.647 -9.851 8.683 658 HA ARG 93 HA ARG 93 -12.683 -11.647 6.391 659 1HB ARG 93 HB2 ARG 93 -14.690 -10.481 7.203 660 2HB ARG 93 HB1 ARG 93 -13.904 -8.927 6.925 661 1HG ARG 93 HG2 ARG 93 -15.216 -9.221 4.991 662 2HG ARG 93 HG1 ARG 93 -13.615 -9.756 4.480 663 1HD ARG 93 HD2 ARG 93 -15.335 -11.384 3.763 664 2HD ARG 93 HD1 ARG 93 -14.279 -12.116 4.988 665 HE ARG 93 HE ARG 93 -16.797 -10.776 5.859 666 1HH1 ARG 93 HH21 ARG 93 -15.395 -13.730 4.930 667 2HH1 ARG 93 HH22 ARG 93 -16.055 -14.637 6.250 668 1HH2 ARG 93 HH11 ARG 93 -17.403 -11.861 7.830 669 2HH2 ARG 93 HH12 ARG 93 -17.193 -13.579 7.890 670 H TRP 94 HN TRP 94 -11.985 -8.153 6.735 671 HA TRP 94 HA TRP 94 -9.585 -8.404 5.035 672 1HB TRP 94 HB2 TRP 94 -10.480 -7.008 3.270 673 2HB TRP 94 HB1 TRP 94 -11.638 -8.310 3.546 674 HD1 TRP 94 HD1 TRP 94 -14.004 -7.681 4.398 675 HE1 TRP 94 HE1 TRP 94 -15.198 -5.448 4.884 676 HE3 TRP 94 HE3 TRP 94 -10.026 -4.487 4.172 677 HZ2 TRP 94 HZ2 TRP 94 -14.549 -2.672 5.141 678 HZ3 TRP 94 HZ3 TRP 94 -10.341 -2.057 4.540 679 HH2 TRP 94 HH2 TRP 94 -12.596 -1.146 5.024 680 H GLU 95 HN GLU 95 -8.377 -6.322 4.982 681 HA GLU 95 HA GLU 95 -9.349 -4.169 6.770 682 1HB GLU 95 HB2 GLU 95 -7.350 -6.252 7.446 683 2HB GLU 95 HB1 GLU 95 -6.892 -4.601 7.867 684 1HG GLU 95 HG2 GLU 95 -9.168 -4.368 8.970 685 2HG GLU 95 HG1 GLU 95 -9.369 -6.106 8.744 686 H TYR 96 HN TYR 96 -7.989 -2.241 6.607 687 HA TYR 96 HA TYR 96 -6.846 -1.840 3.977 688 1HB TYR 96 HB2 TYR 96 -7.386 -0.333 6.469 689 2HB TYR 96 HB1 TYR 96 -6.055 0.292 5.495 690 HD1 TYR 96 HD1 TYR 96 -6.761 -0.097 2.770 691 HD2 TYR 96 HD2 TYR 96 -9.344 0.863 6.065 692 HE1 TYR 96 HE1 TYR 96 -8.386 0.923 1.198 693 HE2 TYR 96 HE2 TYR 96 -10.970 1.882 4.493 694 HH TYR 96 HH TYR 96 -10.229 2.222 1.046 695 H CYS 97 HN CYS 97 -4.543 -0.651 4.007 696 HA CYS 97 HA CYS 97 -2.661 -2.473 5.468 697 1HB CYS 97 HB2 CYS 97 -2.877 -1.362 2.730 698 2HB CYS 97 HB1 CYS 97 -1.247 -1.381 3.399 699 H ASN 98 HN ASN 98 -1.084 -1.520 6.752 700 HA ASN 98 HA ASN 98 -1.313 1.081 7.792 701 1HB ASN 98 HB2 ASN 98 0.878 -0.955 7.518 702 2HB ASN 98 HB1 ASN 98 1.267 0.626 8.193 703 1HD2 ASN 98 HD21 ASN 98 1.226 -1.967 9.647 704 2HD2 ASN 98 HD22 ASN 98 0.082 -1.791 10.889 705 H LEU 99 HN LEU 99 -1.679 2.466 5.852 706 HA LEU 99 HA LEU 99 0.928 3.269 4.638 707 1HB LEU 99 HB2 LEU 99 -1.634 2.445 3.277 708 2HB LEU 99 HB1 LEU 99 -0.403 3.397 2.445 709 HG LEU 99 HG LEU 99 0.239 0.811 3.871 710 1HD1 LEU 99 HD11 LEU 99 0.185 -0.249 1.637 711 2HD1 LEU 99 HD12 LEU 99 -0.428 1.254 0.946 712 3HD1 LEU 99 HD13 LEU 99 -1.406 0.352 2.103 713 1HD2 LEU 99 HD21 LEU 99 1.793 2.870 2.730 714 2HD2 LEU 99 HD22 LEU 99 1.849 1.537 1.577 715 3HD2 LEU 99 HD23 LEU 99 2.354 1.280 3.247 716 H THR 100 HN THR 100 1.156 5.413 4.370 717 HA THR 100 HA THR 100 -1.190 7.235 4.655 718 HB THR 100 HB THR 100 0.438 8.609 6.075 719 HG1 THR 100 HG1 THR 100 2.093 7.287 7.026 720 1HG2 THR 100 HG21 THR 100 -1.232 6.407 6.737 721 2HG2 THR 100 HG22 THR 100 -0.790 7.775 7.758 722 3HG2 THR 100 HG23 THR 100 0.197 6.314 7.767 723 H GLN 101 HN GLN 101 -0.718 9.385 3.683 724 HA GLN 101 HA GLN 101 0.656 9.280 1.194 725 1HB GLN 101 HB2 GLN 101 -0.571 11.303 2.978 726 2HB GLN 101 HB1 GLN 101 0.618 11.936 1.838 727 1HG GLN 101 HG2 GLN 101 -0.621 11.302 -0.024 728 2HG GLN 101 HG1 GLN 101 -1.455 10.011 0.842 729 1HE2 GLN 101 HE21 GLN 101 -3.018 11.822 -0.627 730 2HE2 GLN 101 HE22 GLN 101 -3.872 12.833 0.436 731 H CYS 102 HN CYS 102 2.820 8.670 1.241 732 HA CYS 102 HA CYS 102 4.734 9.270 3.228 733 1HB CYS 102 HB2 CYS 102 4.617 7.777 0.985 734 2HB CYS 102 HB1 CYS 102 5.592 9.118 0.383 735 HA PRO 103 HA PRO 103 5.955 13.097 0.631 736 1HB PRO 103 HB2 PRO 103 4.092 14.130 -1.085 737 2HB PRO 103 HB1 PRO 103 5.294 12.918 -1.570 738 1HG PRO 103 HG2 PRO 103 2.416 12.583 -0.948 739 2HG PRO 103 HG1 PRO 103 3.425 11.737 -2.129 740 1HD PRO 103 HD2 PRO 103 2.660 10.715 0.307 741 2HD PRO 103 HD1 PRO 103 4.064 10.157 -0.624 742 H VAL 104 HN VAL 104 2.373 13.449 0.722 743 HA VAL 104 HA VAL 104 2.721 15.802 2.511 744 HB VAL 104 HB VAL 104 0.282 14.637 1.128 745 1HG1 VAL 104 HG11 VAL 104 0.807 17.084 2.771 746 2HG1 VAL 104 HG12 VAL 104 -0.615 16.040 2.742 747 3HG1 VAL 104 HG13 VAL 104 -0.341 17.195 1.437 748 1HG2 VAL 104 HG21 VAL 104 1.968 15.318 -0.508 749 2HG2 VAL 104 HG22 VAL 104 2.181 16.862 0.319 750 3HG2 VAL 104 HG23 VAL 104 0.659 16.500 -0.496 751 H THR 105 HN THR 105 1.187 15.951 4.398 752 HA THR 105 HA THR 105 0.619 13.252 5.584 753 HB THR 105 HB THR 105 1.662 15.783 6.902 754 HG1 THR 105 HG1 THR 105 3.042 14.316 5.528 755 1HG2 THR 105 HG21 THR 105 2.016 14.039 8.808 756 2HG2 THR 105 HG22 THR 105 0.785 13.105 7.956 757 3HG2 THR 105 HG23 THR 105 0.404 14.714 8.568 758 H GLU 106 HN GLU 106 -1.577 13.061 5.812 759 HA GLU 106 HA GLU 106 -3.558 14.941 5.468 760 1HB GLU 106 HB2 GLU 106 -3.220 12.356 6.724 761 2HB GLU 106 HB1 GLU 106 -4.402 13.316 7.616 762 1HG GLU 106 HG2 GLU 106 -5.552 13.810 5.438 763 2HG GLU 106 HG1 GLU 106 -4.445 12.683 4.653 764 H SER 107 HN SER 107 -4.248 16.744 6.580 765 HA SER 107 HA SER 107 -3.850 16.981 9.486 766 1HB SER 107 HB2 SER 107 -1.665 17.629 8.739 767 2HB SER 107 HB1 SER 107 -2.328 18.599 7.428 768 HG SER 107 HG SER 107 -2.098 20.131 8.874 769 H SER 108 HN SER 108 -3.941 19.704 7.253 770 HA SER 108 HA SER 108 -5.619 21.324 6.869 771 1HB SER 108 HB2 SER 108 -7.482 19.018 7.482 772 2HB SER 108 HB1 SER 108 -7.777 20.380 6.405 773 HG SER 108 HG SER 108 -6.356 18.050 5.998 774 H VAL 109 HN VAL 109 -5.395 22.694 8.679 775 HA VAL 109 HA VAL 109 -6.144 22.073 11.361 776 HB VAL 109 HB VAL 109 -5.984 24.684 9.823 777 1HG1 VAL 109 HG11 VAL 109 -7.253 24.541 12.139 778 2HG1 VAL 109 HG12 VAL 109 -6.111 25.849 11.833 779 3HG1 VAL 109 HG13 VAL 109 -5.617 24.454 12.791 780 1HG2 VAL 109 HG21 VAL 109 -3.785 24.141 9.814 781 2HG2 VAL 109 HG22 VAL 109 -4.033 22.807 10.940 782 3HG2 VAL 109 HG23 VAL 109 -3.819 24.447 11.550 783 H LEU 110 HN LEU 110 -7.874 24.499 9.390 784 HA LEU 110 HA LEU 110 -10.359 24.008 10.847 785 1HB LEU 110 HB2 LEU 110 -9.159 25.973 9.120 786 2HB LEU 110 HB1 LEU 110 -10.759 25.563 8.500 787 HG LEU 110 HG LEU 110 -10.559 25.942 11.439 788 1HD1 LEU 110 HD11 LEU 110 -9.129 27.765 10.312 789 2HD1 LEU 110 HD12 LEU 110 -10.426 28.310 11.376 790 3HD1 LEU 110 HD13 LEU 110 -10.643 28.357 9.626 791 1HD2 LEU 110 HD21 LEU 110 -12.776 26.650 11.196 792 2HD2 LEU 110 HD22 LEU 110 -12.624 25.497 9.870 793 3HD2 LEU 110 HD23 LEU 110 -12.515 27.228 9.551 794 H ALA 111 HN ALA 111 -12.318 23.179 9.885 795 HA ALA 111 HA ALA 111 -11.839 21.129 7.807 796 1HB ALA 111 HB1 ALA 111 -13.359 20.087 9.109 797 2HB ALA 111 HB2 ALA 111 -14.560 21.300 8.664 798 3HB ALA 111 HB3 ALA 111 -13.535 21.550 10.078 799 H THR 112 HN THR 112 -11.665 22.363 5.861 800 HA THR 112 HA THR 112 -13.744 24.320 5.154 801 HB THR 112 HB THR 112 -11.295 24.473 4.575 802 HG1 THR 112 HG1 THR 112 -13.282 25.219 3.237 803 1HG2 THR 112 HG21 THR 112 -11.177 21.965 4.071 804 2HG2 THR 112 HG22 THR 112 -10.342 23.030 2.940 805 3HG2 THR 112 HG23 THR 112 -11.913 22.352 2.515 806 H SER 113 HN SER 113 -14.918 24.035 3.023 807 HA SER 113 HA SER 113 -16.307 21.488 2.951 808 1HB SER 113 HB2 SER 113 -16.447 23.436 0.701 809 2HB SER 113 HB1 SER 113 -17.753 22.665 1.596 810 HG SER 113 HG SER 113 -16.494 25.047 2.021 811 H THR 114 HN THR 114 -14.854 19.819 2.349 812 HA THR 114 HA THR 114 -13.484 20.125 -0.299 813 HB THR 114 HB THR 114 -12.056 19.703 1.666 814 HG1 THR 114 HG1 THR 114 -11.131 17.728 0.890 815 1HG2 THR 114 HG21 THR 114 -14.221 17.890 2.308 816 2HG2 THR 114 HG22 THR 114 -12.918 18.476 3.343 817 3HG2 THR 114 HG23 THR 114 -12.672 17.045 2.341 818 H ALA 115 HN ALA 115 -16.233 19.562 -0.381 819 HA ALA 115 HA ALA 115 -16.654 16.658 -0.520 820 1HB ALA 115 HB1 ALA 115 -18.341 19.029 -1.390 821 2HB ALA 115 HB2 ALA 115 -18.375 18.294 0.212 822 3HB ALA 115 HB3 ALA 115 -18.918 17.375 -1.191 823 H VAL 116 HN VAL 116 -15.327 15.837 -2.195 824 HA VAL 116 HA VAL 116 -15.119 17.113 -4.802 825 HB VAL 116 HB VAL 116 -14.478 14.314 -3.811 826 1HG1 VAL 116 HG11 VAL 116 -14.597 14.420 -6.259 827 2HG1 VAL 116 HG12 VAL 116 -12.916 14.277 -5.744 828 3HG1 VAL 116 HG13 VAL 116 -13.549 15.839 -6.264 829 1HG2 VAL 116 HG21 VAL 116 -13.383 16.751 -3.035 830 2HG2 VAL 116 HG22 VAL 116 -12.277 16.185 -4.287 831 3HG2 VAL 116 HG23 VAL 116 -12.604 15.177 -2.877 832 H SER 117 HN SER 117 -17.288 14.799 -3.322 833 HA SER 117 HA SER 117 -18.443 14.029 -5.956 834 1HB SER 117 HB2 SER 117 -18.477 13.041 -3.136 835 2HB SER 117 HB1 SER 117 -19.868 12.660 -4.147 836 HG SER 117 HG SER 117 -18.424 11.760 -5.660 837 H GLU 118 HN GLU 118 -20.343 14.959 -6.667 838 HA GLU 118 HA GLU 118 -21.517 17.260 -5.661 839 1HB GLU 118 HB2 GLU 118 -21.957 15.508 -7.716 840 2HB GLU 118 HB1 GLU 118 -23.406 15.251 -6.741 841 1HG GLU 118 HG2 GLU 118 -22.820 18.075 -6.906 842 2HG GLU 118 HG1 GLU 118 -22.910 17.383 -8.526 843 H GLN 119 HN GLN 119 -22.955 17.742 -4.004 844 HA GLN 119 HA GLN 119 -23.862 15.445 -2.298 845 1HB GLN 119 HB2 GLN 119 -23.295 18.336 -1.564 846 2HB GLN 119 HB1 GLN 119 -23.641 17.021 -0.440 847 1HG GLN 119 HG2 GLN 119 -21.543 16.025 -1.963 848 2HG GLN 119 HG1 GLN 119 -21.124 17.725 -1.752 849 1HE2 GLN 119 HE21 GLN 119 -20.731 14.752 -0.296 850 2HE2 GLN 119 HE22 GLN 119 -20.531 15.255 1.313 Start of MODEL 14 1 1H ALA 1 HT1 ALA 1 41.209 11.791 2.236 2 2H ALA 1 HT2 ALA 1 41.810 12.976 1.177 3 3H ALA 1 HT3 ALA 1 42.771 11.639 1.593 4 HA ALA 1 HA ALA 1 40.191 11.381 0.140 5 1HB ALA 1 HB1 ALA 1 42.816 11.110 -1.226 6 2HB ALA 1 HB2 ALA 1 42.357 12.748 -0.760 7 3HB ALA 1 HB3 ALA 1 41.309 11.807 -1.821 8 H ARG 2 HN ARG 2 40.217 9.232 -1.012 9 HA ARG 2 HA ARG 2 42.154 7.200 -0.256 10 1HB ARG 2 HB2 ARG 2 40.162 7.903 1.613 11 2HB ARG 2 HB1 ARG 2 39.633 6.373 0.914 12 1HG ARG 2 HG2 ARG 2 42.510 6.471 1.531 13 2HG ARG 2 HG1 ARG 2 41.467 6.601 2.948 14 1HD ARG 2 HD2 ARG 2 40.502 4.552 1.105 15 2HD ARG 2 HD1 ARG 2 42.157 4.223 1.655 16 HE ARG 2 HE ARG 2 40.524 5.116 3.858 17 1HH1 ARG 2 HH11 ARG 2 42.515 2.812 3.846 18 2HH1 ARG 2 HH12 ARG 2 41.465 1.458 4.103 19 1HH2 ARG 2 HH21 ARG 2 38.578 3.208 3.311 20 2HH2 ARG 2 HH22 ARG 2 39.236 1.683 3.801 21 H ILE 3 HN ILE 3 38.883 7.964 -1.408 22 HA ILE 3 HA ILE 3 37.562 6.930 -3.077 23 HB ILE 3 HB ILE 3 40.440 6.606 -3.934 24 1HG1 ILE 3 HG12 ILE 3 38.572 8.161 -5.570 25 2HG1 ILE 3 HG11 ILE 3 38.669 8.746 -3.908 26 1HG2 ILE 3 HG21 ILE 3 38.896 6.300 -6.224 27 2HG2 ILE 3 HG22 ILE 3 38.070 5.289 -5.038 28 3HG2 ILE 3 HG23 ILE 3 39.774 5.013 -5.397 29 1HD1 ILE 3 HD11 ILE 3 41.253 8.061 -5.199 30 2HD1 ILE 3 HD12 ILE 3 40.852 9.400 -4.123 31 3HD1 ILE 3 HD13 ILE 3 40.425 9.484 -5.832 32 H HIS 4 HN HIS 4 36.877 5.259 -1.446 33 HA HIS 4 HA HIS 4 38.259 2.715 -1.269 34 1HB HIS 4 HB2 HIS 4 36.567 3.915 0.312 35 2HB HIS 4 HB1 HIS 4 35.332 3.200 -0.725 36 HD1 HIS 4 HD1 HIS 4 34.467 1.332 0.734 37 HD2 HIS 4 HD2 HIS 4 38.628 1.333 0.481 38 HE1 HIS 4 HE1 HIS 4 35.254 -0.794 1.864 39 H HIS 5 HN HIS 5 37.142 0.640 -1.988 40 HA HIS 5 HA HIS 5 36.837 0.437 -4.762 41 1HB HIS 5 HB2 HIS 5 36.842 -1.234 -2.611 42 2HB HIS 5 HB1 HIS 5 35.146 -1.333 -3.085 43 HD1 HIS 5 HD1 HIS 5 35.605 -3.813 -3.903 44 HD2 HIS 5 HD2 HIS 5 37.677 -0.868 -6.004 45 HE1 HIS 5 HE1 HIS 5 36.474 -4.915 -6.012 46 H HIS 6 HN HIS 6 34.096 0.329 -2.448 47 HA HIS 6 HA HIS 6 32.390 1.573 -4.582 48 1HB HIS 6 HB2 HIS 6 32.038 -0.678 -2.640 49 2HB HIS 6 HB1 HIS 6 30.614 0.269 -3.072 50 HD1 HIS 6 HD1 HIS 6 33.252 -1.965 -4.590 51 HD2 HIS 6 HD2 HIS 6 29.679 -0.130 -5.704 52 HE1 HIS 6 HE1 HIS 6 32.616 -2.941 -6.838 53 H HIS 7 HN HIS 7 31.050 3.289 -3.923 54 HA HIS 7 HA HIS 7 31.589 4.376 -1.193 55 1HB HIS 7 HB2 HIS 7 30.825 6.494 -2.236 56 2HB HIS 7 HB1 HIS 7 32.126 5.756 -3.170 57 HD1 HIS 7 HD1 HIS 7 28.540 6.703 -3.345 58 HD2 HIS 7 HD2 HIS 7 31.239 4.493 -5.628 59 HE1 HIS 7 HE1 HIS 7 27.449 6.351 -5.604 60 H HIS 8 HN HIS 8 30.019 3.065 -0.057 61 HA HIS 8 HA HIS 8 27.161 3.581 -0.807 62 1HB HIS 8 HB2 HIS 8 28.166 1.227 -0.804 63 2HB HIS 8 HB1 HIS 8 28.288 1.386 0.948 64 HD1 HIS 8 HD1 HIS 8 25.474 3.177 0.821 65 HD2 HIS 8 HD2 HIS 8 26.107 -0.784 -0.314 66 HE1 HIS 8 HE1 HIS 8 23.211 2.042 0.887 67 H HIS 9 HN HIS 9 29.588 3.907 1.687 68 HA HIS 9 HA HIS 9 27.598 4.560 3.777 69 1HB HIS 9 HB2 HIS 9 30.526 4.051 3.538 70 2HB HIS 9 HB1 HIS 9 30.003 5.073 4.877 71 HD1 HIS 9 HD1 HIS 9 31.096 2.078 5.155 72 HD2 HIS 9 HD2 HIS 9 27.093 3.240 5.245 73 HE1 HIS 9 HE1 HIS 9 29.848 0.255 6.393 74 H ILE 10 HN ILE 10 28.984 6.201 1.216 75 HA ILE 10 HA ILE 10 29.244 8.789 2.667 76 HB ILE 10 HB ILE 10 29.868 7.848 -0.149 77 1HG1 ILE 10 HG12 ILE 10 31.392 6.982 1.554 78 2HG1 ILE 10 HG11 ILE 10 32.216 8.232 0.621 79 1HG2 ILE 10 HG21 ILE 10 31.184 10.179 0.046 80 2HG2 ILE 10 HG22 ILE 10 29.819 10.557 1.096 81 3HG2 ILE 10 HG23 ILE 10 29.538 10.086 -0.580 82 1HD1 ILE 10 HD11 ILE 10 31.031 8.460 3.393 83 2HD1 ILE 10 HD12 ILE 10 31.455 9.877 2.431 84 3HD1 ILE 10 HD13 ILE 10 32.705 8.724 2.903 85 H GLU 11 HN GLU 11 26.598 7.763 2.519 86 HA GLU 11 HA GLU 11 25.295 9.932 1.002 87 1HB GLU 11 HB2 GLU 11 25.797 7.690 -0.372 88 2HB GLU 11 HB1 GLU 11 24.318 7.164 0.431 89 1HG GLU 11 HG2 GLU 11 23.905 9.827 -0.520 90 2HG GLU 11 HG1 GLU 11 24.570 8.871 -1.844 91 H GLY 12 HN GLY 12 22.715 9.353 1.215 92 1HA GLY 12 HA2 GLY 12 21.368 7.947 3.005 93 2HA GLY 12 HA1 GLY 12 22.325 8.912 4.128 94 H ARG 13 HN ARG 13 20.740 9.815 1.052 95 HA ARG 13 HA ARG 13 19.577 12.180 2.417 96 1HB ARG 13 HB2 ARG 13 19.737 11.250 -0.468 97 2HB ARG 13 HB1 ARG 13 19.024 12.783 0.036 98 1HG ARG 13 HG2 ARG 13 21.413 12.912 1.327 99 2HG ARG 13 HG1 ARG 13 21.873 11.981 -0.099 100 1HD ARG 13 HD2 ARG 13 20.349 14.609 -0.204 101 2HD ARG 13 HD1 ARG 13 22.096 14.447 -0.473 102 HE ARG 13 HE ARG 13 20.010 13.621 -2.337 103 1HH1 ARG 13 HH21 ARG 13 22.739 14.636 -3.106 104 2HH1 ARG 13 HH22 ARG 13 23.498 13.198 -3.701 105 1HH2 ARG 13 HH11 ARG 13 21.177 11.060 -2.264 106 2HH2 ARG 13 HH12 ARG 13 22.613 11.173 -3.226 107 H ALA 14 HN ALA 14 17.291 12.453 0.724 108 HA ALA 14 HA ALA 14 15.640 10.043 1.372 109 1HB ALA 14 HB1 ALA 14 14.900 12.926 1.965 110 2HB ALA 14 HB2 ALA 14 15.555 11.812 3.165 111 3HB ALA 14 HB3 ALA 14 13.988 11.488 2.423 112 HA PRO 15 HA PRO 15 14.809 11.683 -2.863 113 1HB PRO 15 HB2 PRO 15 14.908 9.252 -4.113 114 2HB PRO 15 HB1 PRO 15 16.347 10.250 -3.828 115 1HG PRO 15 HG2 PRO 15 15.384 7.855 -2.360 116 2HG PRO 15 HG1 PRO 15 17.038 8.368 -2.728 117 1HD PRO 15 HD2 PRO 15 15.825 8.683 -0.281 118 2HD PRO 15 HD1 PRO 15 17.179 9.673 -0.866 119 H THR 16 HN THR 16 12.612 12.145 -2.471 120 HA THR 16 HA THR 16 10.643 10.232 -1.631 121 HB THR 16 HB THR 16 9.222 12.174 -2.865 122 HG1 THR 16 HG1 THR 16 10.403 13.872 -3.305 123 1HG2 THR 16 HG21 THR 16 10.562 13.242 -0.492 124 2HG2 THR 16 HG22 THR 16 10.018 11.577 -0.282 125 3HG2 THR 16 HG23 THR 16 8.863 12.831 -0.733 126 H GLU 17 HN GLU 17 10.735 8.377 -3.003 127 HA GLU 17 HA GLU 17 10.957 8.113 -5.725 128 1HB GLU 17 HB2 GLU 17 10.151 6.572 -3.595 129 2HB GLU 17 HB1 GLU 17 8.689 6.618 -4.582 130 1HG GLU 17 HG2 GLU 17 9.999 4.732 -5.322 131 2HG GLU 17 HG1 GLU 17 10.111 5.977 -6.567 132 H GLN 18 HN GLN 18 10.077 9.859 -6.941 133 HA GLN 18 HA GLN 18 7.411 10.845 -6.671 134 1HB GLN 18 HB2 GLN 18 9.708 11.584 -7.925 135 2HB GLN 18 HB1 GLN 18 8.773 10.985 -9.295 136 1HG GLN 18 HG2 GLN 18 6.840 12.425 -8.351 137 2HG GLN 18 HG1 GLN 18 8.088 13.226 -7.396 138 1HE2 GLN 18 HE21 GLN 18 7.663 12.163 -10.830 139 2HE2 GLN 18 HE22 GLN 18 8.314 13.582 -11.497 140 H SER 19 HN SER 19 8.706 8.012 -8.178 141 HA SER 19 HA SER 19 6.862 7.575 -10.294 142 1HB SER 19 HB2 SER 19 8.706 6.017 -8.578 143 2HB SER 19 HB1 SER 19 7.440 5.077 -9.364 144 HG SER 19 HG SER 19 8.876 6.991 -10.835 145 HA PRO 20 HA PRO 20 4.035 5.208 -7.279 146 1HB PRO 20 HB2 PRO 20 4.723 5.101 -4.632 147 2HB PRO 20 HB1 PRO 20 5.282 3.908 -5.823 148 1HG PRO 20 HG2 PRO 20 6.719 6.243 -4.667 149 2HG PRO 20 HG1 PRO 20 7.324 4.627 -5.064 150 1HD PRO 20 HD2 PRO 20 7.742 6.822 -6.631 151 2HD PRO 20 HD1 PRO 20 7.688 5.159 -7.256 152 H GLY 21 HN GLY 21 2.251 6.039 -5.958 153 1HA GLY 21 HA2 GLY 21 2.567 8.940 -5.301 154 2HA GLY 21 HA1 GLY 21 1.057 8.218 -5.856 155 H VAL 22 HN VAL 22 2.448 9.414 -3.161 156 HA VAL 22 HA VAL 22 1.652 7.357 -1.224 157 HB VAL 22 HB VAL 22 2.366 9.117 0.379 158 1HG1 VAL 22 HG11 VAL 22 4.196 7.856 -0.364 159 2HG1 VAL 22 HG12 VAL 22 4.699 9.504 -0.740 160 3HG1 VAL 22 HG13 VAL 22 4.067 8.462 -2.015 161 1HG2 VAL 22 HG21 VAL 22 1.665 10.815 -1.796 162 2HG2 VAL 22 HG22 VAL 22 3.392 11.026 -1.506 163 3HG2 VAL 22 HG23 VAL 22 2.240 11.290 -0.198 164 H GLN 23 HN GLN 23 -0.258 7.367 -0.014 165 HA GLN 23 HA GLN 23 -1.999 9.536 0.424 166 1HB GLN 23 HB2 GLN 23 -2.350 9.735 -1.912 167 2HB GLN 23 HB1 GLN 23 -2.388 7.986 -2.136 168 1HG GLN 23 HG2 GLN 23 -4.594 7.853 -1.623 169 2HG GLN 23 HG1 GLN 23 -4.441 8.988 -0.283 170 1HE2 GLN 23 HE21 GLN 23 -4.247 11.371 -0.948 171 2HE2 GLN 23 HE22 GLN 23 -5.079 11.874 -2.340 172 H ASP 24 HN ASP 24 -2.246 8.384 2.418 173 HA ASP 24 HA ASP 24 -3.192 5.615 2.460 174 1HB ASP 24 HB2 ASP 24 -3.246 6.065 4.908 175 2HB ASP 24 HB1 ASP 24 -1.722 6.577 4.183 176 H CYS 25 HN CYS 25 -5.186 5.903 1.166 177 HA CYS 25 HA CYS 25 -7.491 6.526 2.872 178 1HB CYS 25 HB2 CYS 25 -8.083 8.535 1.943 179 2HB CYS 25 HB1 CYS 25 -6.361 8.630 1.603 180 H TYR 26 HN TYR 26 -9.296 5.363 2.196 181 HA TYR 26 HA TYR 26 -9.254 4.159 -0.540 182 1HB TYR 26 HB2 TYR 26 -9.608 1.962 0.409 183 2HB TYR 26 HB1 TYR 26 -8.212 2.669 1.221 184 HD1 TYR 26 HD1 TYR 26 -8.238 3.131 3.561 185 HD2 TYR 26 HD2 TYR 26 -11.865 2.028 1.543 186 HE1 TYR 26 HE1 TYR 26 -9.378 2.879 5.748 187 HE2 TYR 26 HE2 TYR 26 -13.004 1.780 3.732 188 HH TYR 26 HH TYR 26 -11.265 1.821 6.725 189 H HIS 27 HN HIS 27 -11.355 3.654 -1.336 190 HA HIS 27 HA HIS 27 -13.594 4.958 0.147 191 1HB HIS 27 HB2 HIS 27 -12.920 5.566 -2.222 192 2HB HIS 27 HB1 HIS 27 -13.433 3.952 -2.711 193 HD1 HIS 27 HD1 HIS 27 -15.368 5.000 -4.152 194 HD2 HIS 27 HD2 HIS 27 -15.654 5.782 -0.067 195 HE1 HIS 27 HE1 HIS 27 -17.712 5.874 -3.752 196 H GLY 28 HN GLY 28 -15.373 3.737 0.824 197 1HA GLY 28 HA2 GLY 28 -16.755 1.845 1.125 198 2HA GLY 28 HA1 GLY 28 -15.914 1.077 -0.223 199 H ASP 29 HN ASP 29 -14.659 -0.633 0.320 200 HA ASP 29 HA ASP 29 -13.426 -0.674 3.035 201 1HB ASP 29 HB2 ASP 29 -14.964 -2.830 1.574 202 2HB ASP 29 HB1 ASP 29 -13.992 -3.152 3.010 203 H GLY 30 HN GLY 30 -11.899 0.220 1.053 204 1HA GLY 30 HA2 GLY 30 -9.847 -0.208 -0.019 205 2HA GLY 30 HA1 GLY 30 -9.822 -1.770 0.807 206 H GLN 31 HN GLN 31 -12.758 -1.433 -0.741 207 HA GLN 31 HA GLN 31 -12.102 -3.466 -2.726 208 1HB GLN 31 HB2 GLN 31 -14.458 -1.986 -1.678 209 2HB GLN 31 HB1 GLN 31 -14.614 -2.633 -3.312 210 1HG GLN 31 HG2 GLN 31 -13.494 -4.400 -1.165 211 2HG GLN 31 HG1 GLN 31 -15.236 -4.129 -1.219 212 1HE2 GLN 31 HE21 GLN 31 -16.229 -5.792 -2.358 213 2HE2 GLN 31 HE22 GLN 31 -15.606 -6.528 -3.755 214 H SER 32 HN SER 32 -12.858 0.024 -2.842 215 HA SER 32 HA SER 32 -12.664 0.075 -5.784 216 1HB SER 32 HB2 SER 32 -14.256 1.437 -4.391 217 2HB SER 32 HB1 SER 32 -12.871 2.313 -3.745 218 HG SER 32 HG SER 32 -14.041 2.389 -6.267 219 H TYR 33 HN TYR 33 -10.260 -0.729 -4.197 220 HA TYR 33 HA TYR 33 -8.404 1.547 -4.390 221 1HB TYR 33 HB2 TYR 33 -8.618 -0.552 -2.740 222 2HB TYR 33 HB1 TYR 33 -7.557 -1.284 -3.944 223 HD1 TYR 33 HD1 TYR 33 -5.456 -1.360 -2.891 224 HD2 TYR 33 HD2 TYR 33 -7.728 2.285 -2.836 225 HE1 TYR 33 HE1 TYR 33 -3.520 -0.166 -1.917 226 HE2 TYR 33 HE2 TYR 33 -5.786 3.481 -1.865 227 HH TYR 33 HH TYR 33 -3.390 3.264 -1.705 228 H ARG 34 HN ARG 34 -8.430 1.940 -6.710 229 HA ARG 34 HA ARG 34 -7.598 -0.245 -8.520 230 1HB ARG 34 HB2 ARG 34 -8.156 2.708 -8.961 231 2HB ARG 34 HB1 ARG 34 -7.989 1.494 -10.229 232 1HG ARG 34 HG2 ARG 34 -9.948 0.302 -9.414 233 2HG ARG 34 HG1 ARG 34 -10.079 1.395 -8.035 234 1HD ARG 34 HD2 ARG 34 -11.669 2.023 -9.849 235 2HD ARG 34 HD1 ARG 34 -10.461 3.297 -9.588 236 HE ARG 34 HE ARG 34 -9.481 2.746 -11.680 237 1HH1 ARG 34 HH11 ARG 34 -12.390 1.833 -12.251 238 2HH1 ARG 34 HH12 ARG 34 -12.088 0.312 -13.021 239 1HH2 ARG 34 HH21 ARG 34 -8.787 0.137 -11.975 240 2HH2 ARG 34 HH22 ARG 34 -10.049 -0.648 -12.864 241 H GLY 35 HN GLY 35 -5.565 0.162 -6.686 242 1HA GLY 35 HA2 GLY 35 -3.434 1.243 -8.425 243 2HA GLY 35 HA1 GLY 35 -3.607 2.001 -6.842 244 H SER 36 HN SER 36 -1.226 0.853 -7.212 245 HA SER 36 HA SER 36 -1.391 -1.863 -5.956 246 1HB SER 36 HB2 SER 36 0.922 -2.076 -6.892 247 2HB SER 36 HB1 SER 36 -0.285 -1.758 -8.134 248 HG SER 36 HG SER 36 1.445 -0.372 -8.437 249 H PHE 37 HN PHE 37 -1.797 -0.392 -3.929 250 HA PHE 37 HA PHE 37 0.417 1.138 -2.852 251 1HB PHE 37 HB2 PHE 37 -2.144 1.154 -2.357 252 2HB PHE 37 HB1 PHE 37 -1.774 -0.175 -1.258 253 HD1 PHE 37 HD1 PHE 37 -0.616 0.191 0.810 254 HD2 PHE 37 HD2 PHE 37 -1.069 3.386 -2.024 255 HE1 PHE 37 HE1 PHE 37 0.175 1.811 2.512 256 HE2 PHE 37 HE2 PHE 37 -0.278 5.007 -0.322 257 HZ PHE 37 HZ PHE 37 0.344 4.221 1.946 258 H SER 38 HN SER 38 2.019 -0.723 -3.362 259 HA SER 38 HA SER 38 2.013 -3.123 -1.786 260 1HB SER 38 HB2 SER 38 3.866 -1.549 -3.505 261 2HB SER 38 HB1 SER 38 4.599 -2.738 -2.433 262 HG SER 38 HG SER 38 3.509 -4.327 -3.435 263 H THR 39 HN THR 39 1.483 -0.927 0.041 264 HA THR 39 HA THR 39 3.951 -1.062 1.733 265 HB THR 39 HB THR 39 2.081 1.291 1.762 266 HG1 THR 39 HG1 THR 39 4.129 0.772 -0.125 267 1HG2 THR 39 HG21 THR 39 4.367 2.409 2.150 268 2HG2 THR 39 HG22 THR 39 4.997 0.772 2.337 269 3HG2 THR 39 HG23 THR 39 3.753 1.370 3.436 270 H THR 40 HN THR 40 3.520 -1.268 4.006 271 HA THR 40 HA THR 40 0.781 -2.242 4.640 272 HB THR 40 HB THR 40 2.089 -2.890 6.795 273 HG1 THR 40 HG1 THR 40 3.819 -1.374 6.076 274 1HG2 THR 40 HG21 THR 40 1.947 -4.851 5.706 275 2HG2 THR 40 HG22 THR 40 3.488 -4.480 4.934 276 3HG2 THR 40 HG23 THR 40 1.975 -4.034 4.144 277 H VAL 41 HN VAL 41 0.182 -1.688 7.080 278 HA VAL 41 HA VAL 41 -0.257 1.168 7.230 279 HB VAL 41 HB VAL 41 -0.731 -1.243 8.983 280 1HG1 VAL 41 HG11 VAL 41 -0.834 0.083 10.805 281 2HG1 VAL 41 HG12 VAL 41 -2.211 0.887 10.052 282 3HG1 VAL 41 HG13 VAL 41 -0.585 1.533 9.834 283 1HG2 VAL 41 HG21 VAL 41 -2.992 -0.947 8.365 284 2HG2 VAL 41 HG22 VAL 41 -2.107 -0.580 6.885 285 3HG2 VAL 41 HG23 VAL 41 -2.733 0.730 7.885 286 H THR 42 HN THR 42 1.821 -1.090 9.074 287 HA THR 42 HA THR 42 2.892 0.822 10.905 288 HB THR 42 HB THR 42 4.138 -1.673 9.703 289 HG1 THR 42 HG1 THR 42 2.167 -1.200 11.613 290 1HG2 THR 42 HG21 THR 42 5.659 -0.149 11.018 291 2HG2 THR 42 HG22 THR 42 5.473 -1.761 11.708 292 3HG2 THR 42 HG23 THR 42 4.602 -0.397 12.408 293 H GLY 43 HN GLY 43 3.329 0.532 7.529 294 1HA GLY 43 HA2 GLY 43 4.539 2.151 6.220 295 2HA GLY 43 HA1 GLY 43 5.518 2.528 7.638 296 H ARG 44 HN ARG 44 5.153 -0.807 7.303 297 HA ARG 44 HA ARG 44 7.968 -1.100 6.484 298 1HB ARG 44 HB2 ARG 44 6.230 -2.397 8.185 299 2HB ARG 44 HB1 ARG 44 6.271 -3.486 6.797 300 1HG ARG 44 HG2 ARG 44 8.879 -3.067 6.947 301 2HG ARG 44 HG1 ARG 44 8.500 -2.657 8.621 302 1HD ARG 44 HD2 ARG 44 7.488 -5.216 7.358 303 2HD ARG 44 HD1 ARG 44 9.065 -5.127 8.169 304 HE ARG 44 HE ARG 44 6.459 -4.972 9.490 305 1HH1 ARG 44 HH21 ARG 44 9.728 -5.436 9.918 306 2HH1 ARG 44 HH22 ARG 44 9.825 -4.680 11.472 307 1HH2 ARG 44 HH11 ARG 44 6.599 -3.417 11.355 308 2HH2 ARG 44 HH12 ARG 44 8.055 -3.536 12.286 309 H THR 45 HN THR 45 7.881 -3.494 5.099 310 HA THR 45 HA THR 45 6.555 -2.684 2.533 311 HB THR 45 HB THR 45 9.110 -4.149 3.217 312 HG1 THR 45 HG1 THR 45 8.933 -2.107 1.353 313 1HG2 THR 45 HG21 THR 45 7.929 -5.333 1.380 314 2HG2 THR 45 HG22 THR 45 9.410 -4.554 0.823 315 3HG2 THR 45 HG23 THR 45 7.844 -3.817 0.484 316 H CYS 46 HN CYS 46 4.750 -3.930 2.231 317 HA CYS 46 HA CYS 46 4.187 -6.404 3.490 318 1HB CYS 46 HB2 CYS 46 2.457 -5.003 2.604 319 2HB CYS 46 HB1 CYS 46 3.189 -5.012 1.002 320 H GLN 47 HN GLN 47 4.268 -8.569 2.627 321 HA GLN 47 HA GLN 47 6.485 -9.014 0.724 322 1HB GLN 47 HB2 GLN 47 6.506 -10.321 2.712 323 2HB GLN 47 HB1 GLN 47 4.799 -10.726 2.558 324 1HG GLN 47 HG2 GLN 47 6.155 -12.643 1.884 325 2HG GLN 47 HG1 GLN 47 5.329 -11.985 0.471 326 1HE2 GLN 47 HE21 GLN 47 8.434 -11.382 2.231 327 2HE2 GLN 47 HE22 GLN 47 9.369 -11.242 0.822 328 H SER 48 HN SER 48 6.247 -10.182 -1.227 329 HA SER 48 HA SER 48 3.993 -9.843 -2.856 330 1HB SER 48 HB2 SER 48 6.328 -11.734 -2.777 331 2HB SER 48 HB1 SER 48 5.111 -11.890 -4.041 332 HG SER 48 HG SER 48 6.413 -10.441 -4.922 333 H TRP 49 HN TRP 49 2.219 -11.235 -3.360 334 HA TRP 49 HA TRP 49 1.217 -12.871 -1.207 335 1HB TRP 49 HB2 TRP 49 0.467 -12.659 -4.143 336 2HB TRP 49 HB1 TRP 49 -0.536 -13.394 -2.892 337 HD1 TRP 49 HD1 TRP 49 0.717 -10.016 -4.125 338 HE1 TRP 49 HE1 TRP 49 -0.651 -8.170 -2.984 339 HE3 TRP 49 HE3 TRP 49 -1.892 -12.777 -0.788 340 HZ2 TRP 49 HZ2 TRP 49 -2.590 -7.884 -0.927 341 HZ3 TRP 49 HZ3 TRP 49 -3.507 -11.721 0.769 342 HH2 TRP 49 HH2 TRP 49 -3.860 -9.268 0.701 343 H SER 50 HN SER 50 2.890 -13.525 -4.250 344 HA SER 50 HA SER 50 2.712 -16.429 -4.031 345 1HB SER 50 HB2 SER 50 2.869 -15.055 -6.129 346 2HB SER 50 HB1 SER 50 4.523 -14.644 -5.684 347 HG SER 50 HG SER 50 3.585 -17.312 -5.885 348 H SER 51 HN SER 51 4.120 -14.705 -1.824 349 HA SER 51 HA SER 51 6.925 -15.338 -1.916 350 1HB SER 51 HB2 SER 51 5.598 -13.604 -0.525 351 2HB SER 51 HB1 SER 51 5.227 -14.945 0.555 352 HG SER 51 HG SER 51 7.838 -14.175 -0.258 353 H MET 52 HN MET 52 7.941 -17.225 -1.310 354 HA MET 52 HA MET 52 6.245 -19.369 -0.059 355 1HB MET 52 HB2 MET 52 8.533 -19.812 -1.983 356 2HB MET 52 HB1 MET 52 7.220 -20.909 -1.578 357 1HG MET 52 HG2 MET 52 6.073 -18.496 -2.592 358 2HG MET 52 HG1 MET 52 7.318 -19.036 -3.714 359 1HE MET 52 HE1 MET 52 3.949 -19.145 -2.541 360 2HE MET 52 HE2 MET 52 4.498 -20.357 -1.388 361 3HE MET 52 HE3 MET 52 3.336 -20.801 -2.637 362 H THR 53 HN THR 53 8.849 -17.333 0.400 363 HA THR 53 HA THR 53 10.596 -19.289 1.767 364 HB THR 53 HB THR 53 11.508 -16.682 2.215 365 HG1 THR 53 HG1 THR 53 10.723 -16.820 -0.471 366 1HG2 THR 53 HG21 THR 53 13.281 -17.354 0.878 367 2HG2 THR 53 HG22 THR 53 12.231 -18.164 -0.285 368 3HG2 THR 53 HG23 THR 53 12.562 -18.914 1.277 369 HA PRO 54 HA PRO 54 9.446 -16.685 5.554 370 1HB PRO 54 HB2 PRO 54 7.781 -14.533 5.268 371 2HB PRO 54 HB1 PRO 54 9.543 -14.423 5.095 372 1HG PRO 54 HG2 PRO 54 7.439 -14.533 3.001 373 2HG PRO 54 HG1 PRO 54 8.956 -13.622 3.034 374 1HD PRO 54 HD2 PRO 54 8.598 -15.945 1.622 375 2HD PRO 54 HD1 PRO 54 10.172 -15.367 2.210 376 H HIS 55 HN HIS 55 6.410 -15.479 4.268 377 HA HIS 55 HA HIS 55 5.001 -17.697 5.696 378 1HB HIS 55 HB2 HIS 55 3.540 -15.344 4.589 379 2HB HIS 55 HB1 HIS 55 3.360 -16.140 6.150 380 HD1 HIS 55 HD1 HIS 55 5.591 -13.682 4.340 381 HD2 HIS 55 HD2 HIS 55 4.855 -14.980 8.231 382 HE1 HIS 55 HE1 HIS 55 6.922 -12.169 5.858 383 H TRP 56 HN TRP 56 5.449 -19.179 3.805 384 HA TRP 56 HA TRP 56 4.616 -18.787 1.150 385 1HB TRP 56 HB2 TRP 56 5.842 -20.746 2.117 386 2HB TRP 56 HB1 TRP 56 4.337 -21.281 2.863 387 HD1 TRP 56 HD1 TRP 56 2.296 -20.973 0.625 388 HE1 TRP 56 HE1 TRP 56 2.375 -22.330 -1.514 389 HE3 TRP 56 HE3 TRP 56 7.200 -22.232 0.644 390 HZ2 TRP 56 HZ2 TRP 56 4.281 -23.786 -3.059 391 HZ3 TRP 56 HZ3 TRP 56 8.129 -23.591 -1.196 392 HH2 TRP 56 HH2 TRP 56 6.690 -24.383 -3.043 393 H HIS 57 HN HIS 57 2.585 -18.655 0.168 394 HA HIS 57 HA HIS 57 0.216 -19.205 1.917 395 1HB HIS 57 HB2 HIS 57 -0.755 -17.209 1.160 396 2HB HIS 57 HB1 HIS 57 0.950 -16.773 1.233 397 HD1 HIS 57 HD1 HIS 57 1.538 -18.556 -1.462 398 HD2 HIS 57 HD2 HIS 57 -1.142 -15.391 -1.039 399 HE1 HIS 57 HE1 HIS 57 1.132 -17.648 -3.789 400 H GLN 58 HN GLN 58 -1.751 -18.890 -0.047 401 HA GLN 58 HA GLN 58 -1.076 -20.816 -2.221 402 1HB GLN 58 HB2 GLN 58 -2.428 -21.406 0.239 403 2HB GLN 58 HB1 GLN 58 -3.593 -21.543 -1.077 404 1HG GLN 58 HG2 GLN 58 -2.661 -23.463 -1.788 405 2HG GLN 58 HG1 GLN 58 -1.061 -22.722 -1.842 406 1HE2 GLN 58 HE21 GLN 58 -1.654 -25.442 -0.855 407 2HE2 GLN 58 HE22 GLN 58 -1.194 -25.474 0.779 408 H ARG 59 HN ARG 59 -1.884 -17.896 -1.989 409 HA ARG 59 HA ARG 59 -4.352 -18.044 -3.690 410 1HB ARG 59 HB2 ARG 59 -3.717 -16.621 -1.217 411 2HB ARG 59 HB1 ARG 59 -4.276 -15.528 -2.483 412 1HG ARG 59 HG2 ARG 59 -6.384 -16.405 -2.493 413 2HG ARG 59 HG1 ARG 59 -5.808 -18.049 -2.216 414 1HD ARG 59 HD2 ARG 59 -5.173 -17.034 0.180 415 2HD ARG 59 HD1 ARG 59 -6.504 -15.931 -0.223 416 HE ARG 59 HE ARG 59 -7.870 -18.023 -0.698 417 1HH1 ARG 59 HH21 ARG 59 -6.354 -17.514 2.158 418 2HH1 ARG 59 HH22 ARG 59 -6.275 -19.170 2.660 419 1HH2 ARG 59 HH11 ARG 59 -7.217 -20.429 -0.430 420 2HH2 ARG 59 HH12 ARG 59 -6.763 -20.819 1.195 421 H THR 60 HN THR 60 -1.495 -18.002 -4.512 422 HA THR 60 HA THR 60 -0.411 -15.553 -5.295 423 HB THR 60 HB THR 60 0.610 -17.729 -5.736 424 HG1 THR 60 HG1 THR 60 0.497 -17.233 -8.303 425 1HG2 THR 60 HG21 THR 60 -1.109 -19.218 -6.219 426 2HG2 THR 60 HG22 THR 60 -0.422 -18.955 -7.822 427 3HG2 THR 60 HG23 THR 60 -1.887 -18.101 -7.340 428 H THR 61 HN THR 61 -0.370 -14.912 -7.754 429 HA THR 61 HA THR 61 -2.953 -13.844 -8.443 430 HB THR 61 HB THR 61 -1.462 -13.630 -10.701 431 HG1 THR 61 HG1 THR 61 0.592 -13.983 -10.324 432 1HG2 THR 61 HG21 THR 61 -1.515 -11.498 -9.999 433 2HG2 THR 61 HG22 THR 61 -0.342 -11.854 -8.731 434 3HG2 THR 61 HG23 THR 61 -2.065 -12.069 -8.424 435 H GLU 62 HN GLU 62 -1.534 -16.938 -8.796 436 HA GLU 62 HA GLU 62 -2.648 -17.748 -11.293 437 1HB GLU 62 HB2 GLU 62 -0.881 -18.858 -9.751 438 2HB GLU 62 HB1 GLU 62 -2.263 -19.493 -8.856 439 1HG GLU 62 HG2 GLU 62 -1.782 -21.201 -10.411 440 2HG GLU 62 HG1 GLU 62 -3.113 -20.318 -11.162 441 H TYR 63 HN TYR 63 -3.870 -17.365 -8.067 442 HA TYR 63 HA TYR 63 -6.431 -18.663 -8.720 443 1HB TYR 63 HB2 TYR 63 -4.932 -17.753 -6.350 444 2HB TYR 63 HB1 TYR 63 -6.672 -17.482 -6.244 445 HD1 TYR 63 HD1 TYR 63 -4.212 -19.764 -5.436 446 HD2 TYR 63 HD2 TYR 63 -8.050 -19.599 -7.357 447 HE1 TYR 63 HE1 TYR 63 -4.558 -22.171 -4.951 448 HE2 TYR 63 HE2 TYR 63 -8.396 -22.006 -6.872 449 HH TYR 63 HH TYR 63 -7.616 -23.789 -5.779 450 H TYR 64 HN TYR 64 -4.980 -15.705 -9.237 451 HA TYR 64 HA TYR 64 -7.635 -14.322 -9.406 452 1HB TYR 64 HB2 TYR 64 -4.990 -13.356 -8.277 453 2HB TYR 64 HB1 TYR 64 -6.329 -12.269 -8.650 454 HD1 TYR 64 HD1 TYR 64 -8.715 -13.503 -7.813 455 HD2 TYR 64 HD2 TYR 64 -4.834 -13.793 -5.995 456 HE1 TYR 64 HE1 TYR 64 -9.775 -14.056 -5.641 457 HE2 TYR 64 HE2 TYR 64 -5.894 -14.345 -3.821 458 HH TYR 64 HH TYR 64 -9.441 -14.429 -3.476 459 HA PRO 65 HA PRO 65 -5.547 -14.110 -13.445 460 1HB PRO 65 HB2 PRO 65 -7.867 -13.962 -14.891 461 2HB PRO 65 HB1 PRO 65 -7.171 -15.495 -14.332 462 1HG PRO 65 HG2 PRO 65 -9.419 -13.913 -13.195 463 2HG PRO 65 HG1 PRO 65 -9.234 -15.667 -13.340 464 1HD PRO 65 HD2 PRO 65 -8.832 -14.293 -11.015 465 2HD PRO 65 HD1 PRO 65 -8.032 -15.832 -11.401 466 H ASN 66 HN ASN 66 -7.820 -12.022 -11.836 467 HA ASN 66 HA ASN 66 -6.665 -9.697 -13.270 468 1HB ASN 66 HB2 ASN 66 -8.908 -10.857 -14.252 469 2HB ASN 66 HB1 ASN 66 -9.630 -9.746 -13.086 470 1HD2 ASN 66 HD21 ASN 66 -9.885 -9.410 -15.959 471 2HD2 ASN 66 HD22 ASN 66 -9.083 -7.976 -16.381 472 H GLY 67 HN GLY 67 -5.951 -9.866 -10.791 473 1HA GLY 67 HA2 GLY 67 -7.957 -8.306 -9.207 474 2HA GLY 67 HA1 GLY 67 -6.873 -9.484 -8.466 475 H GLY 68 HN GLY 68 -4.723 -8.503 -10.438 476 1HA GLY 68 HA2 GLY 68 -3.171 -6.709 -10.584 477 2HA GLY 68 HA1 GLY 68 -4.187 -5.777 -9.479 478 H LEU 69 HN LEU 69 -3.633 -8.970 -8.456 479 HA LEU 69 HA LEU 69 -2.188 -8.110 -6.105 480 1HB LEU 69 HB2 LEU 69 -3.202 -10.650 -7.327 481 2HB LEU 69 HB1 LEU 69 -2.055 -10.763 -5.990 482 HG LEU 69 HG LEU 69 -4.678 -9.244 -5.967 483 1HD1 LEU 69 HD11 LEU 69 -3.908 -11.964 -5.273 484 2HD1 LEU 69 HD12 LEU 69 -5.517 -11.247 -5.352 485 3HD1 LEU 69 HD13 LEU 69 -4.560 -11.105 -3.878 486 1HD2 LEU 69 HD21 LEU 69 -3.438 -7.981 -4.497 487 2HD2 LEU 69 HD22 LEU 69 -2.290 -9.281 -4.195 488 3HD2 LEU 69 HD23 LEU 69 -3.861 -9.295 -3.399 489 H THR 70 HN THR 70 -0.554 -7.162 -7.934 490 HA THR 70 HA THR 70 1.480 -9.114 -8.791 491 HB THR 70 HB THR 70 1.409 -6.078 -8.854 492 HG1 THR 70 HG1 THR 70 -0.320 -6.943 -9.983 493 1HG2 THR 70 HG21 THR 70 2.976 -8.028 -10.559 494 2HG2 THR 70 HG22 THR 70 3.648 -7.177 -9.169 495 3HG2 THR 70 HG23 THR 70 3.097 -6.269 -10.576 496 H ARG 71 HN ARG 71 3.580 -9.274 -7.879 497 HA ARG 71 HA ARG 71 5.047 -9.352 -6.010 498 1HB ARG 71 HB2 ARG 71 4.925 -6.899 -7.261 499 2HB ARG 71 HB1 ARG 71 4.671 -6.459 -5.571 500 1HG ARG 71 HG2 ARG 71 6.690 -8.050 -5.107 501 2HG ARG 71 HG1 ARG 71 7.035 -7.839 -6.824 502 1HD ARG 71 HD2 ARG 71 6.542 -5.240 -5.968 503 2HD ARG 71 HD1 ARG 71 7.443 -5.956 -4.617 504 HE ARG 71 HE ARG 71 8.534 -5.406 -7.236 505 1HH1 ARG 71 HH21 ARG 71 9.152 -6.691 -4.202 506 2HH1 ARG 71 HH22 ARG 71 10.458 -7.712 -4.704 507 1HH2 ARG 71 HH11 ARG 71 9.953 -7.143 -8.087 508 2HH2 ARG 71 HH12 ARG 71 10.912 -7.968 -6.903 509 H ASN 72 HN ASN 72 4.837 -7.198 -3.869 510 HA ASN 72 HA ASN 72 2.921 -8.638 -2.153 511 1HB ASN 72 HB2 ASN 72 4.014 -7.477 -0.406 512 2HB ASN 72 HB1 ASN 72 5.284 -7.794 -1.585 513 1HD2 ASN 72 HD21 ASN 72 2.867 -5.224 -0.788 514 2HD2 ASN 72 HD22 ASN 72 3.900 -3.941 -1.181 515 H TYR 73 HN TYR 73 2.156 -6.691 -4.475 516 HA TYR 73 HA TYR 73 1.069 -4.276 -3.833 517 1HB TYR 73 HB2 TYR 73 0.053 -6.650 -5.369 518 2HB TYR 73 HB1 TYR 73 -0.985 -5.234 -5.209 519 HD1 TYR 73 HD1 TYR 73 -0.890 -4.639 -7.571 520 HD2 TYR 73 HD2 TYR 73 2.693 -4.984 -5.225 521 HE1 TYR 73 HE1 TYR 73 0.392 -3.494 -9.359 522 HE2 TYR 73 HE2 TYR 73 3.974 -3.839 -7.014 523 HH TYR 73 HH TYR 73 3.537 -3.608 -9.726 524 H CYS 74 HN CYS 74 -0.819 -3.506 -2.810 525 HA CYS 74 HA CYS 74 -1.840 -5.183 -0.589 526 1HB CYS 74 HB2 CYS 74 -1.578 -2.306 -1.304 527 2HB CYS 74 HB1 CYS 74 -2.935 -2.732 -0.261 528 H ARG 75 HN ARG 75 -3.701 -6.322 -0.976 529 HA ARG 75 HA ARG 75 -5.807 -5.060 -2.707 530 1HB ARG 75 HB2 ARG 75 -4.391 -7.617 -2.798 531 2HB ARG 75 HB1 ARG 75 -6.140 -7.831 -2.791 532 1HG ARG 75 HG2 ARG 75 -5.183 -7.594 -5.098 533 2HG ARG 75 HG1 ARG 75 -6.378 -6.355 -4.712 534 1HD ARG 75 HD2 ARG 75 -4.677 -4.707 -4.321 535 2HD ARG 75 HD1 ARG 75 -3.395 -5.935 -4.349 536 HE ARG 75 HE ARG 75 -4.310 -6.352 -6.783 537 1HH1 ARG 75 HH21 ARG 75 -2.477 -3.897 -5.843 538 2HH1 ARG 75 HH22 ARG 75 -3.084 -2.695 -6.932 539 1HH2 ARG 75 HH11 ARG 75 -5.843 -4.571 -7.882 540 2HH2 ARG 75 HH12 ARG 75 -4.990 -3.077 -8.087 541 H ASN 76 HN ASN 76 -8.046 -5.713 -2.075 542 HA ASN 76 HA ASN 76 -8.230 -6.633 0.777 543 1HB ASN 76 HB2 ASN 76 -8.563 -4.214 0.597 544 2HB ASN 76 HB1 ASN 76 -9.753 -4.449 -0.684 545 1HD2 ASN 76 HD21 ASN 76 -11.884 -5.200 -0.081 546 2HD2 ASN 76 HD22 ASN 76 -12.382 -5.294 1.540 547 HA PRO 77 HA PRO 77 -11.038 -9.121 -1.923 548 1HB PRO 77 HB2 PRO 77 -9.947 -11.570 -1.407 549 2HB PRO 77 HB1 PRO 77 -9.363 -10.509 -2.702 550 1HG PRO 77 HG2 PRO 77 -8.162 -11.117 -0.081 551 2HG PRO 77 HG1 PRO 77 -7.389 -10.633 -1.595 552 1HD PRO 77 HD2 PRO 77 -7.901 -8.989 0.630 553 2HD PRO 77 HD1 PRO 77 -7.378 -8.461 -0.983 554 H ASP 78 HN ASP 78 -10.938 -8.331 1.108 555 HA ASP 78 HA ASP 78 -12.703 -10.571 2.044 556 1HB ASP 78 HB2 ASP 78 -10.195 -9.611 3.037 557 2HB ASP 78 HB1 ASP 78 -11.437 -9.226 4.228 558 H ALA 79 HN ALA 79 -12.816 -7.495 1.027 559 HA ALA 79 HA ALA 79 -14.301 -5.697 1.423 560 1HB ALA 79 HB1 ALA 79 -16.431 -6.475 1.820 561 2HB ALA 79 HB2 ALA 79 -15.932 -7.408 3.231 562 3HB ALA 79 HB3 ALA 79 -15.650 -8.042 1.609 563 H GLU 80 HN GLU 80 -12.033 -6.132 3.279 564 HA GLU 80 HA GLU 80 -13.090 -5.440 5.953 565 1HB GLU 80 HB2 GLU 80 -10.727 -6.583 4.769 566 2HB GLU 80 HB1 GLU 80 -10.262 -5.208 5.772 567 1HG GLU 80 HG2 GLU 80 -10.342 -7.316 7.080 568 2HG GLU 80 HG1 GLU 80 -11.511 -6.133 7.667 569 H ILE 81 HN ILE 81 -11.830 -3.530 7.047 570 HA ILE 81 HA ILE 81 -12.570 -1.064 6.045 571 HB ILE 81 HB ILE 81 -10.612 -0.216 7.430 572 1HG1 ILE 81 HG12 ILE 81 -9.811 -2.523 8.736 573 2HG1 ILE 81 HG11 ILE 81 -9.846 -3.022 7.045 574 1HG2 ILE 81 HG21 ILE 81 -12.549 -0.479 8.691 575 2HG2 ILE 81 HG22 ILE 81 -11.446 -1.575 9.524 576 3HG2 ILE 81 HG23 ILE 81 -12.633 -2.214 8.387 577 1HD1 ILE 81 HD11 ILE 81 -7.979 -1.851 6.609 578 2HD1 ILE 81 HD12 ILE 81 -7.851 -1.501 8.333 579 3HD1 ILE 81 HD13 ILE 81 -8.703 -0.384 7.267 580 H SER 82 HN SER 82 -9.612 -2.870 5.219 581 HA SER 82 HA SER 82 -9.348 -1.348 2.723 582 1HB SER 82 HB2 SER 82 -8.149 -0.423 5.110 583 2HB SER 82 HB1 SER 82 -6.843 -1.115 4.153 584 HG SER 82 HG SER 82 -8.738 0.499 2.875 585 HA PRO 83 HA PRO 83 -7.038 -4.840 1.419 586 1HB PRO 83 HB2 PRO 83 -4.807 -3.833 0.201 587 2HB PRO 83 HB1 PRO 83 -6.433 -3.705 -0.500 588 1HG PRO 83 HG2 PRO 83 -4.844 -1.673 0.983 589 2HG PRO 83 HG1 PRO 83 -5.898 -1.473 -0.426 590 1HD PRO 83 HD2 PRO 83 -6.650 -0.828 2.115 591 2HD PRO 83 HD1 PRO 83 -7.795 -1.323 0.850 592 H TRP 84 HN TRP 84 -5.628 -6.312 2.285 593 HA TRP 84 HA TRP 84 -3.392 -5.324 4.028 594 1HB TRP 84 HB2 TRP 84 -4.065 -7.165 5.599 595 2HB TRP 84 HB1 TRP 84 -5.317 -5.937 5.411 596 HD1 TRP 84 HD1 TRP 84 -7.590 -6.665 4.441 597 HE1 TRP 84 HE1 TRP 84 -8.569 -8.903 3.619 598 HE3 TRP 84 HE3 TRP 84 -3.345 -9.504 4.346 599 HZ2 TRP 84 HZ2 TRP 84 -7.671 -11.549 3.003 600 HZ3 TRP 84 HZ3 TRP 84 -3.436 -11.878 3.638 601 HH2 TRP 84 HH2 TRP 84 -5.592 -12.903 2.967 602 H CYS 85 HN CYS 85 -1.944 -7.404 4.575 603 HA CYS 85 HA CYS 85 -1.966 -9.632 2.756 604 1HB CYS 85 HB2 CYS 85 -0.123 -8.861 1.271 605 2HB CYS 85 HB1 CYS 85 -1.555 -7.844 1.122 606 H TYR 86 HN TYR 86 0.736 -10.163 2.491 607 HA TYR 86 HA TYR 86 1.513 -10.698 5.290 608 1HB TYR 86 HB2 TYR 86 3.019 -11.418 2.768 609 2HB TYR 86 HB1 TYR 86 2.967 -12.296 4.295 610 HD1 TYR 86 HD1 TYR 86 2.160 -12.964 1.188 611 HD2 TYR 86 HD2 TYR 86 0.052 -12.273 4.867 612 HE1 TYR 86 HE1 TYR 86 0.257 -14.317 0.354 613 HE2 TYR 86 HE2 TYR 86 -1.850 -13.626 4.032 614 HH TYR 86 HH TYR 86 -2.573 -14.976 2.411 615 H THR 87 HN THR 87 3.964 -10.410 5.773 616 HA THR 87 HA THR 87 4.777 -7.658 4.913 617 HB THR 87 HB THR 87 6.361 -8.395 7.039 618 HG1 THR 87 HG1 THR 87 5.448 -10.191 7.666 619 1HG2 THR 87 HG21 THR 87 4.528 -6.468 6.511 620 2HG2 THR 87 HG22 THR 87 5.280 -6.694 8.091 621 3HG2 THR 87 HG23 THR 87 3.684 -7.373 7.768 622 H MET 88 HN MET 88 6.800 -7.341 3.966 623 HA MET 88 HA MET 88 8.161 -9.578 2.739 624 1HB MET 88 HB2 MET 88 7.935 -7.196 1.914 625 2HB MET 88 HB1 MET 88 9.106 -6.729 3.148 626 1HG MET 88 HG2 MET 88 10.855 -7.617 2.000 627 2HG MET 88 HG1 MET 88 9.929 -9.033 1.501 628 1HE MET 88 HE1 MET 88 11.046 -7.818 -1.921 629 2HE MET 88 HE2 MET 88 10.552 -9.238 -1.002 630 3HE MET 88 HE3 MET 88 11.836 -8.201 -0.385 631 H ASP 89 HN ASP 89 8.175 -8.783 5.943 632 HA ASP 89 HA ASP 89 11.053 -9.508 6.270 633 1HB ASP 89 HB2 ASP 89 9.430 -7.346 7.249 634 2HB ASP 89 HB1 ASP 89 9.939 -8.333 8.620 635 HA PRO 90 HA PRO 90 9.518 -13.115 8.257 636 1HB PRO 90 HB2 PRO 90 11.789 -13.790 9.632 637 2HB PRO 90 HB1 PRO 90 11.614 -14.016 7.880 638 1HG PRO 90 HG2 PRO 90 13.032 -11.873 9.379 639 2HG PRO 90 HG1 PRO 90 13.475 -12.676 7.865 640 1HD PRO 90 HD2 PRO 90 12.348 -10.182 7.995 641 2HD PRO 90 HD1 PRO 90 12.199 -11.264 6.594 642 H ASN 91 HN ASN 91 10.039 -10.217 9.771 643 HA ASN 91 HA ASN 91 9.702 -11.250 12.538 644 1HB ASN 91 HB2 ASN 91 9.996 -8.427 11.457 645 2HB ASN 91 HB1 ASN 91 10.174 -8.929 13.139 646 1HD2 ASN 91 HD21 ASN 91 12.057 -8.004 10.641 647 2HD2 ASN 91 HD22 ASN 91 13.426 -8.971 10.905 648 H VAL 92 HN VAL 92 7.801 -10.333 9.894 649 HA VAL 92 HA VAL 92 5.479 -9.771 11.706 650 HB VAL 92 HB VAL 92 6.192 -8.487 9.042 651 1HG1 VAL 92 HG11 VAL 92 3.798 -8.574 9.262 652 2HG1 VAL 92 HG12 VAL 92 4.283 -6.942 9.725 653 3HG1 VAL 92 HG13 VAL 92 3.875 -8.127 10.966 654 1HG2 VAL 92 HG21 VAL 92 7.335 -6.955 10.238 655 2HG2 VAL 92 HG22 VAL 92 7.098 -7.945 11.679 656 3HG2 VAL 92 HG23 VAL 92 5.936 -6.680 11.277 657 H ARG 93 HN ARG 93 3.605 -10.908 11.138 658 HA ARG 93 HA ARG 93 3.838 -12.982 9.103 659 1HB ARG 93 HB2 ARG 93 2.558 -12.637 11.547 660 2HB ARG 93 HB1 ARG 93 1.238 -12.577 10.379 661 1HG ARG 93 HG2 ARG 93 3.337 -14.760 10.521 662 2HG ARG 93 HG1 ARG 93 1.689 -14.896 11.136 663 1HD ARG 93 HD2 ARG 93 2.003 -14.018 8.296 664 2HD ARG 93 HD1 ARG 93 2.314 -15.726 8.664 665 HE ARG 93 HE ARG 93 -0.194 -14.401 9.616 666 1HH1 ARG 93 HH21 ARG 93 -0.514 -15.385 6.865 667 2HH1 ARG 93 HH22 ARG 93 -1.013 -17.029 7.090 668 1HH2 ARG 93 HH11 ARG 93 0.035 -17.174 10.393 669 2HH2 ARG 93 HH12 ARG 93 -0.702 -18.042 9.089 670 H TRP 94 HN TRP 94 1.411 -10.458 9.798 671 HA TRP 94 HA TRP 94 1.251 -9.726 6.941 672 1HB TRP 94 HB2 TRP 94 -1.060 -10.390 6.718 673 2HB TRP 94 HB1 TRP 94 -0.190 -11.782 7.361 674 HD1 TRP 94 HD1 TRP 94 -0.788 -12.612 9.746 675 HE1 TRP 94 HE1 TRP 94 -2.598 -11.956 11.460 676 HE3 TRP 94 HE3 TRP 94 -2.469 -8.274 7.638 677 HZ2 TRP 94 HZ2 TRP 94 -4.506 -9.868 11.882 678 HZ3 TRP 94 HZ3 TRP 94 -4.283 -6.974 8.717 679 HH2 TRP 94 HH2 TRP 94 -5.302 -7.764 10.834 680 H GLU 95 HN GLU 95 -0.230 -7.794 6.686 681 HA GLU 95 HA GLU 95 -1.172 -6.449 9.119 682 1HB GLU 95 HB2 GLU 95 1.513 -6.061 8.010 683 2HB GLU 95 HB1 GLU 95 0.617 -4.549 8.159 684 1HG GLU 95 HG2 GLU 95 0.025 -5.794 10.540 685 2HG GLU 95 HG1 GLU 95 1.692 -6.305 10.262 686 H TYR 96 HN TYR 96 -2.320 -4.460 8.601 687 HA TYR 96 HA TYR 96 -3.541 -4.476 5.952 688 1HB TYR 96 HB2 TYR 96 -3.764 -2.964 8.533 689 2HB TYR 96 HB1 TYR 96 -4.493 -2.260 7.089 690 HD1 TYR 96 HD1 TYR 96 -4.716 -4.886 9.598 691 HD2 TYR 96 HD2 TYR 96 -6.217 -3.543 5.803 692 HE1 TYR 96 HE1 TYR 96 -6.649 -6.422 9.820 693 HE2 TYR 96 HE2 TYR 96 -8.150 -5.081 6.024 694 HH TYR 96 HH TYR 96 -9.350 -6.195 8.371 695 H CYS 97 HN CYS 97 -3.619 -2.367 4.664 696 HA CYS 97 HA CYS 97 -0.865 -1.236 4.499 697 1HB CYS 97 HB2 CYS 97 -3.176 -0.963 2.560 698 2HB CYS 97 HB1 CYS 97 -1.457 -0.765 2.220 699 H ASN 98 HN ASN 98 -0.522 1.022 4.562 700 HA ASN 98 HA ASN 98 -2.025 2.636 6.284 701 1HB ASN 98 HB2 ASN 98 -0.079 3.055 4.055 702 2HB ASN 98 HB1 ASN 98 -0.917 4.476 4.679 703 1HD2 ASN 98 HD21 ASN 98 1.969 3.809 5.028 704 2HD2 ASN 98 HD22 ASN 98 2.224 3.709 6.703 705 H LEU 99 HN LEU 99 -4.310 2.276 5.694 706 HA LEU 99 HA LEU 99 -5.155 4.121 3.511 707 1HB LEU 99 HB2 LEU 99 -5.799 1.186 3.839 708 2HB LEU 99 HB1 LEU 99 -6.780 2.255 2.834 709 HG LEU 99 HG LEU 99 -3.784 2.017 2.512 710 1HD1 LEU 99 HD11 LEU 99 -4.206 0.486 0.663 711 2HD1 LEU 99 HD12 LEU 99 -5.945 0.583 0.943 712 3HD1 LEU 99 HD13 LEU 99 -4.900 -0.183 2.139 713 1HD2 LEU 99 HD21 LEU 99 -5.811 2.827 0.438 714 2HD2 LEU 99 HD22 LEU 99 -4.099 3.239 0.532 715 3HD2 LEU 99 HD23 LEU 99 -5.250 3.997 1.633 716 H THR 100 HN THR 100 -6.944 5.272 4.051 717 HA THR 100 HA THR 100 -8.574 4.422 6.407 718 HB THR 100 HB THR 100 -8.616 6.847 6.971 719 HG1 THR 100 HG1 THR 100 -6.477 7.322 5.283 720 1HG2 THR 100 HG21 THR 100 -6.109 5.244 6.857 721 2HG2 THR 100 HG22 THR 100 -6.987 5.855 8.260 722 3HG2 THR 100 HG23 THR 100 -5.965 6.941 7.316 723 H GLN 101 HN GLN 101 -10.804 5.298 6.306 724 HA GLN 101 HA GLN 101 -12.123 4.993 3.849 725 1HB GLN 101 HB2 GLN 101 -12.660 5.990 6.527 726 2HB GLN 101 HB1 GLN 101 -13.592 6.878 5.321 727 1HG GLN 101 HG2 GLN 101 -14.477 4.800 4.405 728 2HG GLN 101 HG1 GLN 101 -13.466 3.854 5.498 729 1HE2 GLN 101 HE21 GLN 101 -15.812 3.048 6.093 730 2HE2 GLN 101 HE22 GLN 101 -16.599 3.901 7.332 731 H CYS 102 HN CYS 102 -11.074 6.118 2.133 732 HA CYS 102 HA CYS 102 -10.255 8.842 2.143 733 1HB CYS 102 HB2 CYS 102 -9.969 6.802 0.479 734 2HB CYS 102 HB1 CYS 102 -11.391 7.499 -0.293 735 HA PRO 103 HA PRO 103 -14.173 10.899 2.084 736 1HB PRO 103 HB2 PRO 103 -13.291 13.355 1.257 737 2HB PRO 103 HB1 PRO 103 -13.046 12.748 2.907 738 1HG PRO 103 HG2 PRO 103 -11.140 12.846 0.625 739 2HG PRO 103 HG1 PRO 103 -10.854 13.130 2.349 740 1HD PRO 103 HD2 PRO 103 -10.208 10.805 1.069 741 2HD PRO 103 HD1 PRO 103 -10.584 10.906 2.803 742 H VAL 104 HN VAL 104 -15.746 11.223 0.482 743 HA VAL 104 HA VAL 104 -14.777 11.160 -2.358 744 HB VAL 104 HB VAL 104 -17.387 10.165 -1.174 745 1HG1 VAL 104 HG11 VAL 104 -16.718 8.810 -3.543 746 2HG1 VAL 104 HG12 VAL 104 -16.374 10.508 -3.870 747 3HG1 VAL 104 HG13 VAL 104 -17.984 10.021 -3.341 748 1HG2 VAL 104 HG21 VAL 104 -15.125 9.044 -0.463 749 2HG2 VAL 104 HG22 VAL 104 -15.130 8.405 -2.106 750 3HG2 VAL 104 HG23 VAL 104 -16.453 8.020 -1.005 751 H THR 105 HN THR 105 -17.600 12.223 -0.401 752 HA THR 105 HA THR 105 -18.819 13.934 -2.246 753 HB THR 105 HB THR 105 -18.445 14.545 0.696 754 HG1 THR 105 HG1 THR 105 -20.440 13.112 0.696 755 1HG2 THR 105 HG21 THR 105 -20.191 15.941 0.418 756 2HG2 THR 105 HG22 THR 105 -21.112 14.716 -0.454 757 3HG2 THR 105 HG23 THR 105 -19.964 15.737 -1.319 758 H GLU 106 HN GLU 106 -16.757 15.248 0.371 759 HA GLU 106 HA GLU 106 -15.424 17.206 0.383 760 1HB GLU 106 HB2 GLU 106 -14.778 15.463 -1.908 761 2HB GLU 106 HB1 GLU 106 -14.187 17.117 -2.073 762 1HG GLU 106 HG2 GLU 106 -13.639 16.410 0.589 763 2HG GLU 106 HG1 GLU 106 -13.207 14.988 -0.363 764 H SER 107 HN SER 107 -18.221 17.319 -0.917 765 HA SER 107 HA SER 107 -17.739 19.807 -2.528 766 1HB SER 107 HB2 SER 107 -18.643 17.512 -3.539 767 2HB SER 107 HB1 SER 107 -20.170 18.092 -2.879 768 HG SER 107 HG SER 107 -19.650 20.109 -4.019 769 H SER 108 HN SER 108 -18.140 21.287 -0.830 770 HA SER 108 HA SER 108 -20.888 21.158 0.375 771 1HB SER 108 HB2 SER 108 -18.330 22.272 1.568 772 2HB SER 108 HB1 SER 108 -19.880 22.105 2.386 773 HG SER 108 HG SER 108 -17.923 20.289 2.032 774 H VAL 109 HN VAL 109 -18.829 22.855 -1.678 775 HA VAL 109 HA VAL 109 -19.479 25.589 -1.021 776 HB VAL 109 HB VAL 109 -17.553 24.809 -2.390 777 1HG1 VAL 109 HG11 VAL 109 -19.066 24.508 -4.866 778 2HG1 VAL 109 HG12 VAL 109 -19.507 23.283 -3.676 779 3HG1 VAL 109 HG13 VAL 109 -17.826 23.459 -4.179 780 1HG2 VAL 109 HG21 VAL 109 -17.720 26.987 -3.011 781 2HG2 VAL 109 HG22 VAL 109 -19.473 26.890 -3.180 782 3HG2 VAL 109 HG23 VAL 109 -18.429 26.366 -4.502 783 H LEU 110 HN LEU 110 -21.395 23.079 -2.237 784 HA LEU 110 HA LEU 110 -23.159 24.914 -3.793 785 1HB LEU 110 HB2 LEU 110 -23.009 21.901 -3.462 786 2HB LEU 110 HB1 LEU 110 -24.185 22.725 -4.486 787 HG LEU 110 HG LEU 110 -21.200 23.123 -4.776 788 1HD1 LEU 110 HD11 LEU 110 -22.386 20.723 -5.205 789 2HD1 LEU 110 HD12 LEU 110 -21.037 21.319 -6.173 790 3HD1 LEU 110 HD13 LEU 110 -22.691 21.496 -6.761 791 1HD2 LEU 110 HD21 LEU 110 -23.632 23.761 -6.468 792 2HD2 LEU 110 HD22 LEU 110 -21.983 23.841 -7.089 793 3HD2 LEU 110 HD23 LEU 110 -22.481 24.900 -5.770 794 H ALA 111 HN ALA 111 -24.028 25.989 -1.855 795 HA ALA 111 HA ALA 111 -25.970 24.261 -0.353 796 1HB ALA 111 HB1 ALA 111 -24.884 26.765 0.845 797 2HB ALA 111 HB2 ALA 111 -23.760 25.416 0.682 798 3HB ALA 111 HB3 ALA 111 -25.244 25.219 1.615 799 H THR 112 HN THR 112 -28.019 24.848 -0.955 800 HA THR 112 HA THR 112 -28.781 27.081 -2.478 801 HB THR 112 HB THR 112 -30.879 26.394 -0.656 802 HG1 THR 112 HG1 THR 112 -29.702 24.073 -1.690 803 1HG2 THR 112 HG21 THR 112 -30.228 25.378 -3.436 804 2HG2 THR 112 HG22 THR 112 -31.109 26.861 -3.068 805 3HG2 THR 112 HG23 THR 112 -31.805 25.295 -2.652 806 H SER 113 HN SER 113 -30.052 29.010 -1.758 807 HA SER 113 HA SER 113 -28.736 30.704 0.025 808 1HB SER 113 HB2 SER 113 -30.608 32.099 -0.286 809 2HB SER 113 HB1 SER 113 -30.692 31.031 -1.684 810 HG SER 113 HG SER 113 -32.699 31.209 -0.575 811 H THR 114 HN THR 114 -28.272 30.166 2.139 812 HA THR 114 HA THR 114 -30.298 28.724 3.769 813 HB THR 114 HB THR 114 -28.178 28.943 5.374 814 HG1 THR 114 HG1 THR 114 -26.339 29.330 4.296 815 1HG2 THR 114 HG21 THR 114 -28.220 27.194 2.898 816 2HG2 THR 114 HG22 THR 114 -29.061 26.848 4.409 817 3HG2 THR 114 HG23 THR 114 -27.298 26.879 4.368 818 H ALA 115 HN ALA 115 -28.882 31.896 3.372 819 HA ALA 115 HA ALA 115 -30.759 32.988 5.380 820 1HB ALA 115 HB1 ALA 115 -27.751 33.342 5.586 821 2HB ALA 115 HB2 ALA 115 -28.696 32.245 6.594 822 3HB ALA 115 HB3 ALA 115 -28.958 33.986 6.699 823 H VAL 116 HN VAL 116 -31.067 33.543 2.781 824 HA VAL 116 HA VAL 116 -29.719 36.192 2.351 825 HB VAL 116 HB VAL 116 -30.802 34.162 0.369 826 1HG1 VAL 116 HG11 VAL 116 -29.559 36.891 0.092 827 2HG1 VAL 116 HG12 VAL 116 -30.984 36.237 -0.715 828 3HG1 VAL 116 HG13 VAL 116 -29.376 35.694 -1.191 829 1HG2 VAL 116 HG21 VAL 116 -28.136 34.371 -0.122 830 2HG2 VAL 116 HG22 VAL 116 -28.831 33.149 0.944 831 3HG2 VAL 116 HG23 VAL 116 -28.152 34.629 1.622 832 H SER 117 HN SER 117 -32.048 36.079 3.933 833 HA SER 117 HA SER 117 -34.314 36.776 2.134 834 1HB SER 117 HB2 SER 117 -34.535 35.194 4.073 835 2HB SER 117 HB1 SER 117 -34.138 36.527 5.153 836 HG SER 117 HG SER 117 -35.969 37.625 4.310 837 H GLU 118 HN GLU 118 -34.461 38.912 1.566 838 HA GLU 118 HA GLU 118 -33.163 40.996 3.211 839 1HB GLU 118 HB2 GLU 118 -34.277 40.641 0.485 840 2HB GLU 118 HB1 GLU 118 -34.414 42.268 1.152 841 1HG GLU 118 HG2 GLU 118 -31.822 40.709 1.185 842 2HG GLU 118 HG1 GLU 118 -32.268 41.784 -0.140 843 H GLN 119 HN GLN 119 -36.428 40.638 1.762 844 HA GLN 119 HA GLN 119 -37.515 42.227 4.057 845 1HB GLN 119 HB2 GLN 119 -38.747 41.636 1.351 846 2HB GLN 119 HB1 GLN 119 -39.240 42.882 2.499 847 1HG GLN 119 HG2 GLN 119 -36.492 42.791 1.231 848 2HG GLN 119 HG1 GLN 119 -37.834 43.722 0.564 849 1HE2 GLN 119 HE21 GLN 119 -38.900 45.287 2.237 850 2HE2 GLN 119 HE22 GLN 119 -37.851 46.074 3.316 Start of MODEL 15 1 1H ALA 1 HT1 ALA 1 20.057 -7.148 -6.771 2 2H ALA 1 HT2 ALA 1 21.741 -6.923 -6.727 3 3H ALA 1 HT3 ALA 1 20.761 -5.858 -7.617 4 HA ALA 1 HA ALA 1 20.475 -6.169 -4.680 5 1HB ALA 1 HB1 ALA 1 21.856 -3.813 -5.224 6 2HB ALA 1 HB2 ALA 1 22.588 -4.982 -6.323 7 3HB ALA 1 HB3 ALA 1 22.567 -5.296 -4.588 8 H ARG 2 HN ARG 2 18.193 -5.757 -4.965 9 HA ARG 2 HA ARG 2 16.296 -4.367 -5.203 10 1HB ARG 2 HB2 ARG 2 18.529 -2.314 -5.048 11 2HB ARG 2 HB1 ARG 2 16.817 -1.957 -4.820 12 1HG ARG 2 HG2 ARG 2 17.104 -2.444 -2.638 13 2HG ARG 2 HG1 ARG 2 17.316 -4.127 -3.121 14 1HD ARG 2 HD2 ARG 2 19.615 -4.040 -2.912 15 2HD ARG 2 HD1 ARG 2 19.693 -2.327 -3.372 16 HE ARG 2 HE ARG 2 18.247 -2.580 -0.909 17 1HH1 ARG 2 HH21 ARG 2 20.755 -0.891 -1.850 18 2HH1 ARG 2 HH22 ARG 2 21.852 -1.298 -0.573 19 1HH2 ARG 2 HH11 ARG 2 19.942 -3.951 0.582 20 2HH2 ARG 2 HH12 ARG 2 21.392 -3.029 0.804 21 H ILE 3 HN ILE 3 15.278 -2.764 -6.756 22 HA ILE 3 HA ILE 3 16.377 -3.188 -9.485 23 HB ILE 3 HB ILE 3 13.730 -2.270 -8.332 24 1HG1 ILE 3 HG12 ILE 3 14.089 -4.657 -8.162 25 2HG1 ILE 3 HG11 ILE 3 12.971 -4.382 -9.498 26 1HG2 ILE 3 HG21 ILE 3 14.154 -1.052 -10.428 27 2HG2 ILE 3 HG22 ILE 3 12.899 -2.268 -10.665 28 3HG2 ILE 3 HG23 ILE 3 14.538 -2.569 -11.242 29 1HD1 ILE 3 HD11 ILE 3 15.813 -5.287 -9.560 30 2HD1 ILE 3 HD12 ILE 3 15.261 -4.253 -10.878 31 3HD1 ILE 3 HD13 ILE 3 14.452 -5.788 -10.564 32 H HIS 4 HN HIS 4 16.501 -1.360 -10.982 33 HA HIS 4 HA HIS 4 17.082 0.853 -11.573 34 1HB HIS 4 HB2 HIS 4 15.074 0.946 -9.430 35 2HB HIS 4 HB1 HIS 4 16.059 2.406 -9.523 36 HD1 HIS 4 HD1 HIS 4 16.513 2.631 -12.530 37 HD2 HIS 4 HD2 HIS 4 12.813 1.670 -10.867 38 HE1 HIS 4 HE1 HIS 4 14.770 3.235 -14.265 39 H HIS 5 HN HIS 5 18.162 2.924 -10.449 40 HA HIS 5 HA HIS 5 20.351 1.865 -8.703 41 1HB HIS 5 HB2 HIS 5 20.328 3.234 -11.118 42 2HB HIS 5 HB1 HIS 5 20.663 4.507 -9.944 43 HD1 HIS 5 HD1 HIS 5 21.793 0.882 -9.767 44 HD2 HIS 5 HD2 HIS 5 23.433 4.694 -10.161 45 HE1 HIS 5 HE1 HIS 5 24.305 0.598 -9.623 46 H HIS 6 HN HIS 6 17.519 3.630 -8.478 47 HA HIS 6 HA HIS 6 18.531 5.061 -6.049 48 1HB HIS 6 HB2 HIS 6 17.744 6.183 -8.505 49 2HB HIS 6 HB1 HIS 6 16.380 6.451 -7.419 50 HD1 HIS 6 HD1 HIS 6 16.738 8.013 -5.402 51 HD2 HIS 6 HD2 HIS 6 20.179 7.472 -7.694 52 HE1 HIS 6 HE1 HIS 6 18.414 9.732 -4.596 53 H HIS 7 HN HIS 7 17.553 3.245 -4.856 54 HA HIS 7 HA HIS 7 14.644 2.826 -5.091 55 1HB HIS 7 HB2 HIS 7 16.917 1.390 -4.251 56 2HB HIS 7 HB1 HIS 7 15.961 1.640 -2.790 57 HD1 HIS 7 HD1 HIS 7 14.927 0.908 -6.397 58 HD2 HIS 7 HD2 HIS 7 14.351 -0.586 -2.548 59 HE1 HIS 7 HE1 HIS 7 13.302 -1.023 -6.614 60 H HIS 8 HN HIS 8 13.673 2.622 -2.608 61 HA HIS 8 HA HIS 8 13.444 5.351 -1.683 62 1HB HIS 8 HB2 HIS 8 11.995 4.321 0.007 63 2HB HIS 8 HB1 HIS 8 11.688 3.581 -1.564 64 HD1 HIS 8 HD1 HIS 8 12.482 1.136 -1.917 65 HD2 HIS 8 HD2 HIS 8 13.265 2.611 1.902 66 HE1 HIS 8 HE1 HIS 8 13.126 -0.860 -0.497 67 H HIS 9 HN HIS 9 13.449 4.635 1.203 68 HA HIS 9 HA HIS 9 14.957 4.637 3.029 69 1HB HIS 9 HB2 HIS 9 15.685 2.623 1.337 70 2HB HIS 9 HB1 HIS 9 17.165 3.580 1.358 71 HD1 HIS 9 HD1 HIS 9 18.711 2.900 3.179 72 HD2 HIS 9 HD2 HIS 9 14.730 2.304 4.263 73 HE1 HIS 9 HE1 HIS 9 18.744 1.923 5.515 74 H ILE 10 HN ILE 10 14.746 6.990 1.387 75 HA ILE 10 HA ILE 10 17.473 7.983 0.890 76 HB ILE 10 HB ILE 10 14.675 9.132 0.708 77 1HG1 ILE 10 HG12 ILE 10 16.731 8.311 -1.371 78 2HG1 ILE 10 HG11 ILE 10 15.260 7.425 -0.967 79 1HG2 ILE 10 HG21 ILE 10 15.784 11.025 -0.512 80 2HG2 ILE 10 HG22 ILE 10 17.344 10.389 0.008 81 3HG2 ILE 10 HG23 ILE 10 16.186 10.970 1.204 82 1HD1 ILE 10 HD11 ILE 10 14.994 10.302 -1.731 83 2HD1 ILE 10 HD12 ILE 10 13.881 8.961 -2.005 84 3HD1 ILE 10 HD13 ILE 10 15.320 9.132 -3.010 85 H GLU 11 HN GLU 11 17.992 10.229 1.864 86 HA GLU 11 HA GLU 11 17.718 10.046 4.794 87 1HB GLU 11 HB2 GLU 11 19.880 10.559 3.935 88 2HB GLU 11 HB1 GLU 11 19.235 11.768 2.825 89 1HG GLU 11 HG2 GLU 11 18.887 13.337 4.526 90 2HG GLU 11 HG1 GLU 11 18.853 12.105 5.788 91 H GLY 12 HN GLY 12 17.476 12.896 2.646 92 1HA GLY 12 HA2 GLY 12 16.061 14.765 2.790 93 2HA GLY 12 HA1 GLY 12 14.792 13.578 3.096 94 H ARG 13 HN ARG 13 17.252 15.580 4.678 95 HA ARG 13 HA ARG 13 15.616 15.410 7.187 96 1HB ARG 13 HB2 ARG 13 18.227 14.478 6.682 97 2HB ARG 13 HB1 ARG 13 18.432 15.959 7.619 98 1HG ARG 13 HG2 ARG 13 16.293 14.630 8.849 99 2HG ARG 13 HG1 ARG 13 17.465 13.361 8.489 100 1HD ARG 13 HD2 ARG 13 18.939 15.600 9.460 101 2HD ARG 13 HD1 ARG 13 17.588 15.322 10.578 102 HE ARG 13 HE ARG 13 19.547 13.209 9.762 103 1HH1 ARG 13 HH21 ARG 13 16.773 12.432 10.821 104 2HH1 ARG 13 HH22 ARG 13 17.133 12.147 12.491 105 1HH2 ARG 13 HH11 ARG 13 20.202 13.757 12.378 106 2HH2 ARG 13 HH12 ARG 13 19.074 12.896 13.373 107 H ALA 14 HN ALA 14 14.696 17.445 6.063 108 HA ALA 14 HA ALA 14 16.498 19.812 6.354 109 1HB ALA 14 HB1 ALA 14 15.542 20.198 4.334 110 2HB ALA 14 HB2 ALA 14 14.069 20.591 5.223 111 3HB ALA 14 HB3 ALA 14 14.317 18.958 4.604 112 HA PRO 15 HA PRO 15 14.295 21.132 9.916 113 1HB PRO 15 HB2 PRO 15 14.579 23.842 9.699 114 2HB PRO 15 HB1 PRO 15 15.916 22.764 10.148 115 1HG PRO 15 HG2 PRO 15 15.318 24.055 7.542 116 2HG PRO 15 HG1 PRO 15 16.878 23.721 8.306 117 1HD PRO 15 HD2 PRO 15 15.789 22.222 6.273 118 2HD PRO 15 HD1 PRO 15 16.994 21.620 7.432 119 H THR 16 HN THR 16 13.520 22.956 6.935 120 HA THR 16 HA THR 16 10.822 23.600 7.950 121 HB THR 16 HB THR 16 10.717 24.782 5.726 122 HG1 THR 16 HG1 THR 16 12.032 23.951 4.324 123 1HG2 THR 16 HG21 THR 16 11.729 26.526 6.731 124 2HG2 THR 16 HG22 THR 16 13.301 25.727 6.679 125 3HG2 THR 16 HG23 THR 16 12.191 25.403 8.010 126 H GLU 17 HN GLU 17 11.942 20.777 6.976 127 HA GLU 17 HA GLU 17 10.468 19.987 4.693 128 1HB GLU 17 HB2 GLU 17 12.208 18.885 6.573 129 2HB GLU 17 HB1 GLU 17 10.724 17.953 6.775 130 1HG GLU 17 HG2 GLU 17 10.768 17.890 4.135 131 2HG GLU 17 HG1 GLU 17 12.489 18.207 4.363 132 H GLN 18 HN GLN 18 8.259 19.911 4.462 133 HA GLN 18 HA GLN 18 6.583 18.951 6.654 134 1HB GLN 18 HB2 GLN 18 7.045 21.482 6.855 135 2HB GLN 18 HB1 GLN 18 6.029 21.648 5.422 136 1HG GLN 18 HG2 GLN 18 4.137 21.316 6.608 137 2HG GLN 18 HG1 GLN 18 4.820 19.920 7.442 138 1HE2 GLN 18 HE21 GLN 18 4.051 20.622 9.556 139 2HE2 GLN 18 HE22 GLN 18 4.725 21.965 10.346 140 H SER 19 HN SER 19 6.586 20.480 3.426 141 HA SER 19 HA SER 19 4.058 19.331 2.613 142 1HB SER 19 HB2 SER 19 6.242 20.967 1.540 143 2HB SER 19 HB1 SER 19 5.529 19.906 0.327 144 HG SER 19 HG SER 19 3.456 20.750 1.364 145 HA PRO 20 HA PRO 20 6.757 16.149 0.283 146 1HB PRO 20 HB2 PRO 20 9.463 16.204 0.685 147 2HB PRO 20 HB1 PRO 20 8.656 17.162 -0.573 148 1HG PRO 20 HG2 PRO 20 9.664 18.006 2.093 149 2HG PRO 20 HG1 PRO 20 9.677 18.876 0.552 150 1HD PRO 20 HD2 PRO 20 7.881 19.353 2.567 151 2HD PRO 20 HD1 PRO 20 7.567 19.693 0.851 152 H GLY 21 HN GLY 21 6.622 14.139 1.243 153 1HA GLY 21 HA2 GLY 21 8.239 13.329 3.475 154 2HA GLY 21 HA1 GLY 21 6.612 13.726 4.030 155 H VAL 22 HN VAL 22 8.316 11.123 3.413 156 HA VAL 22 HA VAL 22 6.680 9.672 1.494 157 HB VAL 22 HB VAL 22 8.677 8.827 3.619 158 1HG1 VAL 22 HG11 VAL 22 7.318 7.317 1.380 159 2HG1 VAL 22 HG12 VAL 22 7.414 6.881 3.087 160 3HG1 VAL 22 HG13 VAL 22 8.852 6.784 2.069 161 1HG2 VAL 22 HG21 VAL 22 9.981 10.017 2.137 162 2HG2 VAL 22 HG22 VAL 22 8.850 9.793 0.802 163 3HG2 VAL 22 HG23 VAL 22 9.936 8.484 1.267 164 H GLN 23 HN GLN 23 4.692 8.800 1.931 165 HA GLN 23 HA GLN 23 3.980 7.250 4.150 166 1HB GLN 23 HB2 GLN 23 4.101 10.123 4.636 167 2HB GLN 23 HB1 GLN 23 2.503 9.469 4.998 168 1HG GLN 23 HG2 GLN 23 3.275 8.161 6.722 169 2HG GLN 23 HG1 GLN 23 4.845 7.901 5.960 170 1HE2 GLN 23 HE21 GLN 23 6.239 8.654 7.622 171 2HE2 GLN 23 HE22 GLN 23 6.193 10.235 8.238 172 H ASP 24 HN ASP 24 2.794 6.222 2.428 173 HA ASP 24 HA ASP 24 0.881 7.543 0.752 174 1HB ASP 24 HB2 ASP 24 1.950 4.954 1.221 175 2HB ASP 24 HB1 ASP 24 0.196 4.800 1.319 176 H CYS 25 HN CYS 25 -1.546 6.511 0.953 177 HA CYS 25 HA CYS 25 -2.536 6.395 3.701 178 1HB CYS 25 HB2 CYS 25 -3.682 8.488 3.703 179 2HB CYS 25 HB1 CYS 25 -2.059 8.842 3.117 180 H TYR 26 HN TYR 26 -5.199 6.841 3.351 181 HA TYR 26 HA TYR 26 -6.101 5.578 0.833 182 1HB TYR 26 HB2 TYR 26 -7.006 3.628 1.878 183 2HB TYR 26 HB1 TYR 26 -5.363 3.781 2.490 184 HD1 TYR 26 HD1 TYR 26 -5.015 3.691 4.786 185 HD2 TYR 26 HD2 TYR 26 -8.874 4.847 3.336 186 HE1 TYR 26 HE1 TYR 26 -5.863 3.702 7.104 187 HE2 TYR 26 HE2 TYR 26 -9.728 4.880 5.662 188 HH TYR 26 HH TYR 26 -8.951 3.584 7.925 189 H HIS 27 HN HIS 27 -8.595 5.344 0.916 190 HA HIS 27 HA HIS 27 -9.764 7.575 2.550 191 1HB HIS 27 HB2 HIS 27 -9.334 8.008 0.085 192 2HB HIS 27 HB1 HIS 27 -10.511 6.742 -0.268 193 HD1 HIS 27 HD1 HIS 27 -10.896 9.837 -0.938 194 HD2 HIS 27 HD2 HIS 27 -12.546 7.825 2.318 195 HE1 HIS 27 HE1 HIS 27 -12.926 11.173 -0.225 196 H GLY 28 HN GLY 28 -10.722 6.167 4.114 197 1HA GLY 28 HA2 GLY 28 -13.030 5.274 4.510 198 2HA GLY 28 HA1 GLY 28 -12.837 4.355 3.017 199 H ASP 29 HN ASP 29 -11.703 2.407 3.074 200 HA ASP 29 HA ASP 29 -10.484 1.622 5.676 201 1HB ASP 29 HB2 ASP 29 -12.461 0.082 3.983 202 2HB ASP 29 HB1 ASP 29 -11.638 -0.578 5.396 203 H GLY 30 HN GLY 30 -9.139 2.494 3.312 204 1HA GLY 30 HA2 GLY 30 -7.273 1.793 2.062 205 2HA GLY 30 HA1 GLY 30 -7.359 0.247 2.911 206 H GLN 31 HN GLN 31 -10.413 0.759 1.811 207 HA GLN 31 HA GLN 31 -10.175 -1.243 -0.286 208 1HB GLN 31 HB2 GLN 31 -12.100 -0.762 1.346 209 2HB GLN 31 HB1 GLN 31 -12.508 0.593 0.293 210 1HG GLN 31 HG2 GLN 31 -13.629 -0.831 -1.039 211 2HG GLN 31 HG1 GLN 31 -12.103 -1.637 -1.403 212 1HE2 GLN 31 HE21 GLN 31 -11.596 -3.612 -0.238 213 2HE2 GLN 31 HE22 GLN 31 -12.752 -4.413 0.711 214 H SER 32 HN SER 32 -10.780 -0.880 -2.548 215 HA SER 32 HA SER 32 -10.848 0.347 -4.577 216 1HB SER 32 HB2 SER 32 -12.040 1.941 -2.722 217 2HB SER 32 HB1 SER 32 -10.673 2.956 -3.173 218 HG SER 32 HG SER 32 -12.673 3.124 -4.474 219 H TYR 33 HN TYR 33 -8.397 0.340 -2.328 220 HA TYR 33 HA TYR 33 -6.559 2.270 -3.431 221 1HB TYR 33 HB2 TYR 33 -6.640 1.132 -1.135 222 2HB TYR 33 HB1 TYR 33 -5.953 -0.285 -1.923 223 HD1 TYR 33 HD1 TYR 33 -3.850 -0.308 -0.779 224 HD2 TYR 33 HD2 TYR 33 -5.143 3.227 -2.849 225 HE1 TYR 33 HE1 TYR 33 -1.583 0.660 -0.544 226 HE2 TYR 33 HE2 TYR 33 -2.873 4.190 -2.620 227 HH TYR 33 HH TYR 33 -0.681 3.638 -2.166 228 H ARG 34 HN ARG 34 -7.202 1.419 -5.762 229 HA ARG 34 HA ARG 34 -6.249 -1.058 -6.781 230 1HB ARG 34 HB2 ARG 34 -7.787 0.565 -7.885 231 2HB ARG 34 HB1 ARG 34 -6.423 1.659 -8.122 232 1HG ARG 34 HG2 ARG 34 -5.370 0.218 -9.653 233 2HG ARG 34 HG1 ARG 34 -6.298 -1.182 -9.113 234 1HD ARG 34 HD2 ARG 34 -8.245 0.648 -9.967 235 2HD ARG 34 HD1 ARG 34 -6.960 0.748 -11.187 236 HE ARG 34 HE ARG 34 -7.190 -1.641 -11.572 237 1HH1 ARG 34 HH21 ARG 34 -8.022 -2.444 -8.797 238 2HH1 ARG 34 HH22 ARG 34 -9.691 -2.848 -9.026 239 1HH2 ARG 34 HH11 ARG 34 -9.934 -1.235 -12.086 240 2HH2 ARG 34 HH12 ARG 34 -10.773 -2.164 -10.890 241 H GLY 35 HN GLY 35 -4.581 2.018 -6.225 242 1HA GLY 35 HA2 GLY 35 -2.260 1.771 -7.701 243 2HA GLY 35 HA1 GLY 35 -2.258 2.408 -6.056 244 H SER 36 HN SER 36 -0.670 0.256 -7.841 245 HA SER 36 HA SER 36 -0.736 -2.178 -6.289 246 1HB SER 36 HB2 SER 36 1.762 -1.981 -7.496 247 2HB SER 36 HB1 SER 36 0.313 -2.636 -8.252 248 HG SER 36 HG SER 36 1.649 -0.590 -9.061 249 H PHE 37 HN PHE 37 -0.689 -0.452 -4.276 250 HA PHE 37 HA PHE 37 1.821 0.566 -3.374 251 1HB PHE 37 HB2 PHE 37 -0.614 0.930 -2.578 252 2HB PHE 37 HB1 PHE 37 -0.376 -0.533 -1.622 253 HD1 PHE 37 HD1 PHE 37 -0.054 0.064 0.609 254 HD2 PHE 37 HD2 PHE 37 1.907 2.321 -2.475 255 HE1 PHE 37 HE1 PHE 37 1.137 1.385 2.334 256 HE2 PHE 37 HE2 PHE 37 3.101 3.643 -0.748 257 HZ PHE 37 HZ PHE 37 2.716 3.174 1.657 258 H SER 38 HN SER 38 3.131 -1.391 -4.114 259 HA SER 38 HA SER 38 2.979 -3.900 -2.705 260 1HB SER 38 HB2 SER 38 5.407 -2.657 -3.999 261 2HB SER 38 HB1 SER 38 4.959 -4.356 -3.937 262 HG SER 38 HG SER 38 4.383 -3.625 -5.938 263 H THR 39 HN THR 39 2.946 -1.778 -0.721 264 HA THR 39 HA THR 39 5.561 -2.312 0.642 265 HB THR 39 HB THR 39 3.958 0.225 0.954 266 HG1 THR 39 HG1 THR 39 5.990 -0.273 -0.959 267 1HG2 THR 39 HG21 THR 39 5.813 1.012 2.028 268 2HG2 THR 39 HG22 THR 39 6.921 0.143 0.966 269 3HG2 THR 39 HG23 THR 39 6.121 -0.705 2.290 270 H THR 40 HN THR 40 5.390 -2.659 2.913 271 HA THR 40 HA THR 40 2.632 -3.263 3.873 272 HB THR 40 HB THR 40 3.957 -4.512 5.633 273 HG1 THR 40 HG1 THR 40 5.949 -3.898 5.758 274 1HG2 THR 40 HG21 THR 40 4.371 -5.071 2.694 275 2HG2 THR 40 HG22 THR 40 3.183 -5.792 3.780 276 3HG2 THR 40 HG23 THR 40 4.893 -6.195 3.948 277 H VAL 41 HN VAL 41 2.367 -2.819 6.336 278 HA VAL 41 HA VAL 41 2.495 -0.036 6.870 279 HB VAL 41 HB VAL 41 2.164 -2.550 8.502 280 1HG1 VAL 41 HG11 VAL 41 2.780 -1.427 10.365 281 2HG1 VAL 41 HG12 VAL 41 1.328 -0.454 10.134 282 3HG1 VAL 41 HG13 VAL 41 2.874 0.105 9.497 283 1HG2 VAL 41 HG21 VAL 41 0.373 -1.607 6.957 284 2HG2 VAL 41 HG22 VAL 41 0.289 -0.217 8.039 285 3HG2 VAL 41 HG23 VAL 41 -0.121 -1.825 8.636 286 H THR 42 HN THR 42 4.585 -2.657 8.150 287 HA THR 42 HA THR 42 6.367 -1.022 9.639 288 HB THR 42 HB THR 42 6.959 -3.575 8.108 289 HG1 THR 42 HG1 THR 42 5.610 -3.060 10.532 290 1HG2 THR 42 HG21 THR 42 8.320 -3.867 10.353 291 2HG2 THR 42 HG22 THR 42 8.234 -2.105 10.387 292 3HG2 THR 42 HG23 THR 42 8.992 -2.925 9.022 293 H GLY 43 HN GLY 43 5.950 -1.291 6.237 294 1HA GLY 43 HA2 GLY 43 7.022 0.302 4.736 295 2HA GLY 43 HA1 GLY 43 8.405 0.346 5.830 296 H ARG 44 HN ARG 44 7.577 -2.822 5.698 297 HA ARG 44 HA ARG 44 9.830 -3.512 3.986 298 1HB ARG 44 HB2 ARG 44 8.068 -4.701 5.940 299 2HB ARG 44 HB1 ARG 44 8.180 -5.756 4.531 300 1HG ARG 44 HG2 ARG 44 10.343 -6.286 4.956 301 2HG ARG 44 HG1 ARG 44 10.764 -4.619 5.352 302 1HD ARG 44 HD2 ARG 44 10.938 -6.248 7.303 303 2HD ARG 44 HD1 ARG 44 9.865 -4.866 7.601 304 HE ARG 44 HE ARG 44 8.716 -7.399 6.521 305 1HH1 ARG 44 HH21 ARG 44 9.473 -6.623 9.564 306 2HH1 ARG 44 HH22 ARG 44 7.862 -6.402 10.163 307 1HH2 ARG 44 HH11 ARG 44 6.409 -6.400 7.013 308 2HH2 ARG 44 HH12 ARG 44 6.127 -6.275 8.717 309 H THR 45 HN THR 45 9.110 -5.591 2.453 310 HA THR 45 HA THR 45 7.124 -4.435 0.530 311 HB THR 45 HB THR 45 9.430 -6.382 0.173 312 HG1 THR 45 HG1 THR 45 10.194 -4.452 -1.037 313 1HG2 THR 45 HG21 THR 45 8.221 -6.910 -1.685 314 2HG2 THR 45 HG22 THR 45 8.872 -5.390 -2.297 315 3HG2 THR 45 HG23 THR 45 7.255 -5.438 -1.596 316 H CYS 46 HN CYS 46 5.258 -5.632 0.180 317 HA CYS 46 HA CYS 46 4.876 -8.088 1.659 318 1HB CYS 46 HB2 CYS 46 2.724 -7.402 1.516 319 2HB CYS 46 HB1 CYS 46 3.329 -5.974 0.691 320 H GLN 47 HN GLN 47 5.169 -10.140 0.863 321 HA GLN 47 HA GLN 47 6.401 -10.613 -1.669 322 1HB GLN 47 HB2 GLN 47 6.579 -12.050 0.333 323 2HB GLN 47 HB1 GLN 47 4.873 -12.466 0.188 324 1HG GLN 47 HG2 GLN 47 6.012 -14.266 -0.855 325 2HG GLN 47 HG1 GLN 47 5.457 -13.261 -2.194 326 1HE2 GLN 47 HE21 GLN 47 7.079 -11.916 -3.305 327 2HE2 GLN 47 HE22 GLN 47 8.736 -12.250 -3.150 328 H SER 48 HN SER 48 5.475 -10.858 -3.681 329 HA SER 48 HA SER 48 2.860 -10.286 -4.393 330 1HB SER 48 HB2 SER 48 4.918 -12.196 -5.514 331 2HB SER 48 HB1 SER 48 3.401 -11.879 -6.352 332 HG SER 48 HG SER 48 5.548 -10.151 -5.781 333 H TRP 49 HN TRP 49 0.969 -11.603 -4.748 334 HA TRP 49 HA TRP 49 0.521 -13.663 -2.765 335 1HB TRP 49 HB2 TRP 49 -1.101 -13.152 -5.268 336 2HB TRP 49 HB1 TRP 49 -1.673 -13.754 -3.716 337 HD1 TRP 49 HD1 TRP 49 -0.643 -10.553 -5.494 338 HE1 TRP 49 HE1 TRP 49 -1.392 -8.552 -4.078 339 HE3 TRP 49 HE3 TRP 49 -2.192 -12.944 -1.314 340 HZ2 TRP 49 HZ2 TRP 49 -2.507 -8.015 -1.522 341 HZ3 TRP 49 HZ3 TRP 49 -3.106 -11.689 0.618 342 HH2 TRP 49 HH2 TRP 49 -3.269 -9.217 0.517 343 H SER 50 HN SER 50 1.475 -13.658 -6.146 344 HA SER 50 HA SER 50 1.040 -16.509 -6.580 345 1HB SER 50 HB2 SER 50 0.966 -14.742 -8.325 346 2HB SER 50 HB1 SER 50 2.682 -14.437 -8.069 347 HG SER 50 HG SER 50 2.896 -16.790 -8.519 348 H SER 51 HN SER 51 3.101 -15.244 -4.452 349 HA SER 51 HA SER 51 5.605 -16.527 -5.323 350 1HB SER 51 HB2 SER 51 5.704 -14.432 -4.122 351 2HB SER 51 HB1 SER 51 4.668 -15.059 -2.842 352 HG SER 51 HG SER 51 7.367 -15.446 -3.324 353 H MET 52 HN MET 52 5.604 -18.762 -5.181 354 HA MET 52 HA MET 52 4.215 -20.027 -2.860 355 1HB MET 52 HB2 MET 52 5.360 -21.312 -5.356 356 2HB MET 52 HB1 MET 52 4.169 -21.992 -4.251 357 1HG MET 52 HG2 MET 52 3.408 -19.396 -5.437 358 2HG MET 52 HG1 MET 52 3.518 -20.736 -6.576 359 1HE MET 52 HE1 MET 52 2.736 -20.974 -2.765 360 2HE MET 52 HE2 MET 52 1.039 -20.530 -2.768 361 3HE MET 52 HE3 MET 52 2.244 -19.385 -3.343 362 H THR 53 HN THR 53 6.960 -18.715 -2.829 363 HA THR 53 HA THR 53 8.685 -21.081 -2.287 364 HB THR 53 HB THR 53 10.136 -18.733 -1.881 365 HG1 THR 53 HG1 THR 53 9.291 -17.919 -4.175 366 1HG2 THR 53 HG21 THR 53 10.797 -19.237 -4.370 367 2HG2 THR 53 HG22 THR 53 9.741 -20.635 -4.171 368 3HG2 THR 53 HG23 THR 53 11.144 -20.434 -3.122 369 HA PRO 54 HA PRO 54 8.944 -18.902 1.908 370 1HB PRO 54 HB2 PRO 54 7.778 -16.456 2.268 371 2HB PRO 54 HB1 PRO 54 9.428 -16.655 1.648 372 1HG PRO 54 HG2 PRO 54 6.919 -16.049 0.181 373 2HG PRO 54 HG1 PRO 54 8.566 -15.467 -0.105 374 1HD PRO 54 HD2 PRO 54 7.346 -17.449 -1.562 375 2HD PRO 54 HD1 PRO 54 9.103 -17.252 -1.402 376 H HIS 55 HN HIS 55 6.071 -16.925 1.682 377 HA HIS 55 HA HIS 55 4.561 -18.899 3.280 378 1HB HIS 55 HB2 HIS 55 3.441 -16.312 2.236 379 2HB HIS 55 HB1 HIS 55 3.195 -17.074 3.806 380 HD1 HIS 55 HD1 HIS 55 5.642 -14.971 1.883 381 HD2 HIS 55 HD2 HIS 55 5.190 -16.472 5.744 382 HE1 HIS 55 HE1 HIS 55 7.407 -13.852 3.293 383 H TRP 56 HN TRP 56 3.557 -20.519 2.134 384 HA TRP 56 HA TRP 56 2.576 -20.014 -0.612 385 1HB TRP 56 HB2 TRP 56 3.903 -22.049 0.286 386 2HB TRP 56 HB1 TRP 56 2.370 -22.558 0.997 387 HD1 TRP 56 HD1 TRP 56 0.275 -22.140 -1.061 388 HE1 TRP 56 HE1 TRP 56 0.302 -23.205 -3.382 389 HE3 TRP 56 HE3 TRP 56 5.231 -23.097 -1.475 390 HZ2 TRP 56 HZ2 TRP 56 2.192 -24.325 -5.200 391 HZ3 TRP 56 HZ3 TRP 56 6.124 -24.129 -3.520 392 HH2 TRP 56 HH2 TRP 56 4.630 -24.765 -5.388 393 H HIS 57 HN HIS 57 0.410 -19.955 -1.154 394 HA HIS 57 HA HIS 57 -1.703 -20.871 0.632 395 1HB HIS 57 HB2 HIS 57 -2.604 -18.491 0.879 396 2HB HIS 57 HB1 HIS 57 -1.130 -18.832 1.788 397 HD1 HIS 57 HD1 HIS 57 -2.093 -17.446 -1.635 398 HD2 HIS 57 HD2 HIS 57 0.909 -17.052 1.230 399 HE1 HIS 57 HE1 HIS 57 -0.539 -15.631 -2.471 400 H GLN 58 HN GLN 58 -3.890 -19.697 -0.364 401 HA GLN 58 HA GLN 58 -3.605 -19.533 -3.330 402 1HB GLN 58 HB2 GLN 58 -4.386 -21.820 -1.914 403 2HB GLN 58 HB1 GLN 58 -5.900 -21.124 -2.495 404 1HG GLN 58 HG2 GLN 58 -5.078 -21.096 -4.778 405 2HG GLN 58 HG1 GLN 58 -3.475 -21.608 -4.249 406 1HE2 GLN 58 HE21 GLN 58 -3.424 -23.667 -5.300 407 2HE2 GLN 58 HE22 GLN 58 -4.505 -24.921 -4.929 408 H ARG 59 HN ARG 59 -4.341 -17.666 -1.030 409 HA ARG 59 HA ARG 59 -7.193 -17.078 -1.613 410 1HB ARG 59 HB2 ARG 59 -5.990 -17.113 0.691 411 2HB ARG 59 HB1 ARG 59 -5.317 -15.558 0.202 412 1HG ARG 59 HG2 ARG 59 -7.259 -14.497 0.630 413 2HG ARG 59 HG1 ARG 59 -8.173 -15.669 -0.320 414 1HD ARG 59 HD2 ARG 59 -8.556 -17.066 1.530 415 2HD ARG 59 HD1 ARG 59 -7.178 -16.405 2.432 416 HE ARG 59 HE ARG 59 -8.490 -14.269 2.626 417 1HH1 ARG 59 HH11 ARG 59 -9.869 -16.780 3.900 418 2HH1 ARG 59 HH12 ARG 59 -11.517 -16.444 3.488 419 1HH2 ARG 59 HH21 ARG 59 -10.717 -14.001 1.163 420 2HH2 ARG 59 HH22 ARG 59 -11.997 -14.873 1.938 421 H THR 60 HN THR 60 -4.380 -16.448 -3.152 422 HA THR 60 HA THR 60 -4.086 -13.694 -3.556 423 HB THR 60 HB THR 60 -2.710 -15.500 -4.551 424 HG1 THR 60 HG1 THR 60 -2.779 -14.581 -6.770 425 1HG2 THR 60 HG21 THR 60 -4.029 -17.205 -5.317 426 2HG2 THR 60 HG22 THR 60 -3.864 -16.318 -6.832 427 3HG2 THR 60 HG23 THR 60 -5.308 -16.110 -5.841 428 H THR 61 HN THR 61 -4.677 -12.812 -5.950 429 HA THR 61 HA THR 61 -7.569 -12.452 -5.973 430 HB THR 61 HB THR 61 -5.988 -10.673 -6.620 431 HG1 THR 61 HG1 THR 61 -6.896 -10.362 -8.813 432 1HG2 THR 61 HG21 THR 61 -5.295 -11.890 -9.204 433 2HG2 THR 61 HG22 THR 61 -4.578 -12.707 -7.815 434 3HG2 THR 61 HG23 THR 61 -4.281 -10.988 -8.079 435 H GLU 62 HN GLU 62 -5.408 -14.811 -7.187 436 HA GLU 62 HA GLU 62 -6.590 -15.515 -9.659 437 1HB GLU 62 HB2 GLU 62 -4.446 -16.375 -8.632 438 2HB GLU 62 HB1 GLU 62 -5.429 -17.333 -7.525 439 1HG GLU 62 HG2 GLU 62 -4.728 -18.699 -9.445 440 2HG GLU 62 HG1 GLU 62 -6.478 -18.474 -9.453 441 H TYR 63 HN TYR 63 -7.541 -15.933 -6.358 442 HA TYR 63 HA TYR 63 -9.781 -17.704 -7.119 443 1HB TYR 63 HB2 TYR 63 -8.156 -17.124 -4.756 444 2HB TYR 63 HB1 TYR 63 -9.880 -17.180 -4.386 445 HD1 TYR 63 HD1 TYR 63 -7.178 -19.081 -6.146 446 HD2 TYR 63 HD2 TYR 63 -10.981 -19.241 -4.157 447 HE1 TYR 63 HE1 TYR 63 -7.122 -21.558 -6.239 448 HE2 TYR 63 HE2 TYR 63 -10.926 -21.719 -4.250 449 HH TYR 63 HH TYR 63 -8.685 -23.500 -4.450 450 H TYR 64 HN TYR 64 -9.202 -14.521 -7.254 451 HA TYR 64 HA TYR 64 -12.017 -13.791 -6.539 452 1HB TYR 64 HB2 TYR 64 -9.502 -12.951 -5.368 453 2HB TYR 64 HB1 TYR 64 -10.366 -11.568 -6.040 454 HD1 TYR 64 HD1 TYR 64 -10.277 -14.056 -3.398 455 HD2 TYR 64 HD2 TYR 64 -12.752 -11.139 -5.352 456 HE1 TYR 64 HE1 TYR 64 -11.829 -14.077 -1.464 457 HE2 TYR 64 HE2 TYR 64 -14.304 -11.160 -3.418 458 HH TYR 64 HH TYR 64 -13.635 -13.164 -0.546 459 HA PRO 65 HA PRO 65 -11.633 -12.184 -10.681 460 1HB PRO 65 HB2 PRO 65 -14.202 -11.267 -10.877 461 2HB PRO 65 HB1 PRO 65 -13.776 -12.981 -11.046 462 1HG PRO 65 HG2 PRO 65 -14.943 -11.544 -8.723 463 2HG PRO 65 HG1 PRO 65 -15.261 -13.180 -9.316 464 1HD PRO 65 HD2 PRO 65 -13.667 -12.605 -7.158 465 2HD PRO 65 HD1 PRO 65 -13.525 -14.078 -8.142 466 H ASN 66 HN ASN 66 -12.019 -10.551 -7.760 467 HA ASN 66 HA ASN 66 -11.762 -7.889 -9.119 468 1HB ASN 66 HB2 ASN 66 -13.925 -8.549 -7.814 469 2HB ASN 66 HB1 ASN 66 -12.932 -8.321 -6.374 470 1HD2 ASN 66 HD21 ASN 66 -13.222 -6.253 -5.546 471 2HD2 ASN 66 HD22 ASN 66 -13.429 -4.847 -6.476 472 H GLY 67 HN GLY 67 -9.590 -9.701 -8.303 473 1HA GLY 67 HA2 GLY 67 -8.441 -8.233 -5.985 474 2HA GLY 67 HA1 GLY 67 -7.916 -9.830 -6.524 475 H GLY 68 HN GLY 68 -7.978 -6.426 -7.469 476 1HA GLY 68 HA2 GLY 68 -6.096 -6.835 -9.661 477 2HA GLY 68 HA1 GLY 68 -6.680 -5.275 -9.076 478 H LEU 69 HN LEU 69 -5.087 -7.880 -7.259 479 HA LEU 69 HA LEU 69 -2.950 -5.932 -6.550 480 1HB LEU 69 HB2 LEU 69 -2.840 -7.530 -4.493 481 2HB LEU 69 HB1 LEU 69 -4.180 -6.400 -4.604 482 HG LEU 69 HG LEU 69 -5.631 -8.155 -5.525 483 1HD1 LEU 69 HD11 LEU 69 -3.038 -9.679 -5.518 484 2HD1 LEU 69 HD12 LEU 69 -4.261 -9.569 -6.784 485 3HD1 LEU 69 HD13 LEU 69 -4.561 -10.552 -5.351 486 1HD2 LEU 69 HD21 LEU 69 -4.230 -8.450 -2.928 487 2HD2 LEU 69 HD22 LEU 69 -5.110 -9.875 -3.477 488 3HD2 LEU 69 HD23 LEU 69 -5.956 -8.343 -3.271 489 H THR 70 HN THR 70 -3.332 -8.079 -8.720 490 HA THR 70 HA THR 70 -1.789 -10.371 -8.402 491 HB THR 70 HB THR 70 -2.994 -9.709 -10.450 492 HG1 THR 70 HG1 THR 70 -1.049 -10.047 -11.910 493 1HG2 THR 70 HG21 THR 70 -2.517 -7.338 -10.480 494 2HG2 THR 70 HG22 THR 70 -1.888 -8.039 -11.972 495 3HG2 THR 70 HG23 THR 70 -0.788 -7.643 -10.651 496 H ARG 71 HN ARG 71 0.522 -10.789 -8.938 497 HA ARG 71 HA ARG 71 2.840 -10.292 -8.767 498 1HB ARG 71 HB2 ARG 71 1.732 -8.285 -10.222 499 2HB ARG 71 HB1 ARG 71 2.284 -7.364 -8.822 500 1HG ARG 71 HG2 ARG 71 4.462 -8.935 -9.285 501 2HG ARG 71 HG1 ARG 71 3.858 -8.714 -10.928 502 1HD ARG 71 HD2 ARG 71 3.932 -6.298 -10.700 503 2HD ARG 71 HD1 ARG 71 4.341 -6.434 -8.978 504 HE ARG 71 HE ARG 71 6.352 -7.868 -9.998 505 1HH1 ARG 71 HH21 ARG 71 5.681 -4.625 -9.994 506 2HH1 ARG 71 HH22 ARG 71 6.770 -4.195 -11.270 507 1HH2 ARG 71 HH11 ARG 71 7.436 -7.478 -12.165 508 2HH2 ARG 71 HH12 ARG 71 7.763 -5.810 -12.500 509 H ASN 72 HN ASN 72 3.558 -7.589 -7.427 510 HA ASN 72 HA ASN 72 2.897 -8.467 -4.664 511 1HB ASN 72 HB2 ASN 72 5.242 -8.475 -5.004 512 2HB ASN 72 HB1 ASN 72 5.193 -7.012 -5.988 513 1HD2 ASN 72 HD21 ASN 72 3.245 -7.021 -3.110 514 2HD2 ASN 72 HD22 ASN 72 4.237 -5.996 -2.203 515 H TYR 73 HN TYR 73 0.758 -7.284 -5.396 516 HA TYR 73 HA TYR 73 1.025 -4.340 -4.847 517 1HB TYR 73 HB2 TYR 73 -1.068 -5.930 -6.380 518 2HB TYR 73 HB1 TYR 73 -1.089 -4.182 -6.155 519 HD1 TYR 73 HD1 TYR 73 2.134 -4.175 -6.312 520 HD2 TYR 73 HD2 TYR 73 -1.044 -5.555 -8.853 521 HE1 TYR 73 HE1 TYR 73 3.598 -3.901 -8.293 522 HE2 TYR 73 HE2 TYR 73 0.422 -5.280 -10.833 523 HH TYR 73 HH TYR 73 3.265 -3.524 -10.784 524 H CYS 74 HN CYS 74 0.030 -3.647 -3.016 525 HA CYS 74 HA CYS 74 -1.174 -5.458 -1.126 526 1HB CYS 74 HB2 CYS 74 -0.510 -2.593 -1.409 527 2HB CYS 74 HB1 CYS 74 -1.849 -2.929 -0.313 528 H ARG 75 HN ARG 75 -3.380 -5.625 -0.494 529 HA ARG 75 HA ARG 75 -5.434 -4.108 -1.992 530 1HB ARG 75 HB2 ARG 75 -4.478 -6.611 -2.826 531 2HB ARG 75 HB1 ARG 75 -6.007 -6.959 -2.031 532 1HG ARG 75 HG2 ARG 75 -6.141 -6.457 -4.534 533 2HG ARG 75 HG1 ARG 75 -7.218 -5.517 -3.505 534 1HD ARG 75 HD2 ARG 75 -5.744 -3.586 -3.621 535 2HD ARG 75 HD1 ARG 75 -4.504 -4.536 -4.461 536 HE ARG 75 HE ARG 75 -6.024 -4.699 -6.381 537 1HH1 ARG 75 HH11 ARG 75 -6.220 -1.981 -4.414 538 2HH1 ARG 75 HH12 ARG 75 -7.703 -1.389 -5.081 539 1HH2 ARG 75 HH21 ARG 75 -8.289 -4.223 -6.989 540 2HH2 ARG 75 HH22 ARG 75 -8.874 -2.656 -6.539 541 H ASN 76 HN ASN 76 -7.576 -4.349 -1.014 542 HA ASN 76 HA ASN 76 -7.540 -5.605 1.711 543 1HB ASN 76 HB2 ASN 76 -7.250 -3.265 2.044 544 2HB ASN 76 HB1 ASN 76 -8.411 -2.866 0.782 545 1HD2 ASN 76 HD21 ASN 76 -10.573 -2.575 1.429 546 2HD2 ASN 76 HD22 ASN 76 -11.166 -2.953 2.974 547 HA PRO 77 HA PRO 77 -11.297 -6.831 -0.718 548 1HB PRO 77 HB2 PRO 77 -10.865 -9.526 -0.678 549 2HB PRO 77 HB1 PRO 77 -10.202 -8.466 -1.936 550 1HG PRO 77 HG2 PRO 77 -8.859 -9.710 0.386 551 2HG PRO 77 HG1 PRO 77 -8.216 -9.305 -1.211 552 1HD PRO 77 HD2 PRO 77 -7.815 -7.841 1.125 553 2HD PRO 77 HD1 PRO 77 -7.542 -7.254 -0.529 554 H ASP 78 HN ASP 78 -10.286 -6.813 2.354 555 HA ASP 78 HA ASP 78 -12.432 -8.630 3.380 556 1HB ASP 78 HB2 ASP 78 -9.741 -8.474 3.945 557 2HB ASP 78 HB1 ASP 78 -10.441 -7.501 5.239 558 H ALA 79 HN ALA 79 -11.765 -5.390 2.775 559 HA ALA 79 HA ALA 79 -12.969 -3.442 3.383 560 1HB ALA 79 HB1 ALA 79 -14.656 -5.090 5.226 561 2HB ALA 79 HB2 ALA 79 -14.735 -5.430 3.497 562 3HB ALA 79 HB3 ALA 79 -15.143 -3.824 4.100 563 H GLU 80 HN GLU 80 -10.678 -4.583 4.990 564 HA GLU 80 HA GLU 80 -11.281 -3.852 7.782 565 1HB GLU 80 HB2 GLU 80 -9.443 -5.450 6.354 566 2HB GLU 80 HB1 GLU 80 -8.481 -4.166 7.086 567 1HG GLU 80 HG2 GLU 80 -10.300 -6.141 8.468 568 2HG GLU 80 HG1 GLU 80 -8.573 -5.898 8.716 569 H ILE 81 HN ILE 81 -9.856 -2.185 8.866 570 HA ILE 81 HA ILE 81 -10.041 0.395 7.883 571 HB ILE 81 HB ILE 81 -9.246 -0.466 10.134 572 1HG1 ILE 81 HG12 ILE 81 -9.055 1.954 9.264 573 2HG1 ILE 81 HG11 ILE 81 -8.031 1.515 10.630 574 1HG2 ILE 81 HG21 ILE 81 -6.577 -0.605 8.709 575 2HG2 ILE 81 HG22 ILE 81 -7.533 -2.010 9.181 576 3HG2 ILE 81 HG23 ILE 81 -6.876 -0.936 10.416 577 1HD1 ILE 81 HD11 ILE 81 -7.221 2.525 8.090 578 2HD1 ILE 81 HD12 ILE 81 -6.629 0.870 8.210 579 3HD1 ILE 81 HD13 ILE 81 -6.197 2.051 9.443 580 H SER 82 HN SER 82 -7.488 -1.975 7.273 581 HA SER 82 HA SER 82 -6.676 -0.427 4.857 582 1HB SER 82 HB2 SER 82 -4.302 -0.610 5.597 583 2HB SER 82 HB1 SER 82 -5.270 0.345 6.715 584 HG SER 82 HG SER 82 -4.173 -1.089 7.957 585 HA PRO 83 HA PRO 83 -6.243 -4.404 3.101 586 1HB PRO 83 HB2 PRO 83 -4.082 -4.096 1.448 587 2HB PRO 83 HB1 PRO 83 -5.671 -3.384 1.108 588 1HG PRO 83 HG2 PRO 83 -3.233 -2.113 2.240 589 2HG PRO 83 HG1 PRO 83 -4.417 -1.467 1.093 590 1HD PRO 83 HD2 PRO 83 -4.388 -0.818 3.740 591 2HD PRO 83 HD1 PRO 83 -5.859 -0.816 2.744 592 H TRP 84 HN TRP 84 -4.289 -6.010 2.467 593 HA TRP 84 HA TRP 84 -2.107 -6.042 4.456 594 1HB TRP 84 HB2 TRP 84 -2.983 -8.302 5.293 595 2HB TRP 84 HB1 TRP 84 -3.912 -6.889 5.797 596 HD1 TRP 84 HD1 TRP 84 -6.254 -6.448 4.581 597 HE1 TRP 84 HE1 TRP 84 -7.848 -8.036 3.322 598 HE3 TRP 84 HE3 TRP 84 -3.116 -10.397 3.777 599 HZ2 TRP 84 HZ2 TRP 84 -7.798 -10.637 2.130 600 HZ3 TRP 84 HZ3 TRP 84 -3.914 -12.414 2.580 601 HH2 TRP 84 HH2 TRP 84 -6.249 -12.540 1.756 602 H CYS 85 HN CYS 85 -0.642 -7.932 4.030 603 HA CYS 85 HA CYS 85 -1.114 -9.643 1.724 604 1HB CYS 85 HB2 CYS 85 -0.814 -7.529 0.564 605 2HB CYS 85 HB1 CYS 85 0.665 -7.200 1.468 606 H TYR 86 HN TYR 86 0.672 -11.115 1.359 607 HA TYR 86 HA TYR 86 2.163 -11.863 3.680 608 1HB TYR 86 HB2 TYR 86 2.642 -12.470 0.739 609 2HB TYR 86 HB1 TYR 86 3.218 -13.432 2.100 610 HD1 TYR 86 HD1 TYR 86 0.602 -13.055 -0.262 611 HD2 TYR 86 HD2 TYR 86 1.345 -14.175 3.820 612 HE1 TYR 86 HE1 TYR 86 -1.552 -14.283 -0.201 613 HE2 TYR 86 HE2 TYR 86 -0.808 -15.400 3.877 614 HH TYR 86 HH TYR 86 -3.049 -15.233 2.585 615 H THR 87 HN THR 87 4.543 -11.750 3.955 616 HA THR 87 HA THR 87 5.635 -9.173 2.961 617 HB THR 87 HB THR 87 7.490 -10.292 4.651 618 HG1 THR 87 HG1 THR 87 6.520 -11.960 5.457 619 1HG2 THR 87 HG21 THR 87 5.204 -9.008 6.007 620 2HG2 THR 87 HG22 THR 87 5.865 -8.113 4.639 621 3HG2 THR 87 HG23 THR 87 6.908 -8.555 5.990 622 H MET 88 HN MET 88 7.321 -9.057 1.516 623 HA MET 88 HA MET 88 8.053 -11.115 -0.234 624 1HB MET 88 HB2 MET 88 9.908 -9.624 -0.797 625 2HB MET 88 HB1 MET 88 8.472 -8.662 -0.450 626 1HG MET 88 HG2 MET 88 9.355 -7.788 1.471 627 2HG MET 88 HG1 MET 88 10.217 -9.273 1.873 628 1HE MET 88 HE1 MET 88 11.991 -8.679 2.605 629 2HE MET 88 HE2 MET 88 12.717 -7.101 2.309 630 3HE MET 88 HE3 MET 88 13.452 -8.544 1.616 631 H ASP 89 HN ASP 89 9.009 -10.747 3.093 632 HA ASP 89 HA ASP 89 11.262 -12.659 2.677 633 1HB ASP 89 HB2 ASP 89 10.948 -10.221 4.107 634 2HB ASP 89 HB1 ASP 89 11.106 -11.501 5.310 635 HA PRO 90 HA PRO 90 8.711 -15.680 4.615 636 1HB PRO 90 HB2 PRO 90 10.705 -17.435 5.304 637 2HB PRO 90 HB1 PRO 90 10.098 -17.261 3.644 638 1HG PRO 90 HG2 PRO 90 12.547 -16.107 4.893 639 2HG PRO 90 HG1 PRO 90 12.325 -16.799 3.278 640 1HD PRO 90 HD2 PRO 90 12.387 -14.123 3.728 641 2HD PRO 90 HD1 PRO 90 11.428 -14.856 2.422 642 H ASN 91 HN ASN 91 11.122 -13.801 6.134 643 HA ASN 91 HA ASN 91 10.975 -14.927 8.805 644 1HB ASN 91 HB2 ASN 91 11.922 -12.372 7.512 645 2HB ASN 91 HB1 ASN 91 11.898 -12.516 9.269 646 1HD2 ASN 91 HD21 ASN 91 12.742 -15.071 9.777 647 2HD2 ASN 91 HD22 ASN 91 14.277 -15.354 9.111 648 H VAL 92 HN VAL 92 8.955 -12.854 6.893 649 HA VAL 92 HA VAL 92 7.391 -12.081 9.330 650 HB VAL 92 HB VAL 92 7.672 -10.841 6.565 651 1HG1 VAL 92 HG11 VAL 92 5.938 -10.158 8.954 652 2HG1 VAL 92 HG12 VAL 92 5.442 -10.384 7.277 653 3HG1 VAL 92 HG13 VAL 92 6.365 -8.955 7.738 654 1HG2 VAL 92 HG21 VAL 92 8.420 -9.662 9.252 655 2HG2 VAL 92 HG22 VAL 92 8.929 -9.135 7.648 656 3HG2 VAL 92 HG23 VAL 92 9.556 -10.639 8.322 657 H ARG 93 HN ARG 93 5.333 -12.934 9.465 658 HA ARG 93 HA ARG 93 4.374 -14.843 7.554 659 1HB ARG 93 HB2 ARG 93 3.903 -14.118 10.184 660 2HB ARG 93 HB1 ARG 93 2.415 -13.631 9.373 661 1HG ARG 93 HG2 ARG 93 3.688 -16.380 9.346 662 2HG ARG 93 HG1 ARG 93 2.150 -15.928 10.081 663 1HD ARG 93 HD2 ARG 93 1.081 -16.270 8.117 664 2HD ARG 93 HD1 ARG 93 2.169 -15.131 7.299 665 HE ARG 93 HE ARG 93 3.817 -17.064 7.168 666 1HH1 ARG 93 HH11 ARG 93 0.531 -17.267 6.491 667 2HH1 ARG 93 HH12 ARG 93 0.495 -18.990 6.320 668 1HH2 ARG 93 HH21 ARG 93 3.749 -19.435 7.435 669 2HH2 ARG 93 HH22 ARG 93 2.316 -20.218 6.856 670 H TRP 94 HN TRP 94 2.976 -11.718 8.563 671 HA TRP 94 HA TRP 94 2.400 -10.946 5.788 672 1HB TRP 94 HB2 TRP 94 -0.034 -10.984 6.099 673 2HB TRP 94 HB1 TRP 94 0.616 -12.594 6.406 674 HD1 TRP 94 HD1 TRP 94 0.417 -13.564 8.799 675 HE1 TRP 94 HE1 TRP 94 -0.737 -12.761 10.964 676 HE3 TRP 94 HE3 TRP 94 -0.674 -8.751 7.485 677 HZ2 TRP 94 HZ2 TRP 94 -1.959 -10.390 11.998 678 HZ3 TRP 94 HZ3 TRP 94 -1.833 -7.244 9.075 679 HH2 TRP 94 HH2 TRP 94 -2.476 -8.057 11.327 680 H GLU 95 HN GLU 95 1.031 -8.781 5.926 681 HA GLU 95 HA GLU 95 1.070 -7.319 8.427 682 1HB GLU 95 HB2 GLU 95 3.528 -7.683 7.647 683 2HB GLU 95 HB1 GLU 95 3.160 -6.459 6.432 684 1HG GLU 95 HG2 GLU 95 3.770 -4.980 8.047 685 2HG GLU 95 HG1 GLU 95 2.160 -5.289 8.700 686 H TYR 96 HN TYR 96 0.000 -5.317 8.198 687 HA TYR 96 HA TYR 96 -1.640 -4.921 5.867 688 1HB TYR 96 HB2 TYR 96 -0.962 -3.491 8.412 689 2HB TYR 96 HB1 TYR 96 -1.812 -2.584 7.165 690 HD1 TYR 96 HD1 TYR 96 -2.499 -6.103 6.994 691 HD2 TYR 96 HD2 TYR 96 -3.607 -2.488 9.037 692 HE1 TYR 96 HE1 TYR 96 -4.638 -7.145 7.686 693 HE2 TYR 96 HE2 TYR 96 -5.746 -3.534 9.727 694 HH TYR 96 HH TYR 96 -7.025 -5.339 9.624 695 H CYS 97 HN CYS 97 -1.587 -2.516 4.882 696 HA CYS 97 HA CYS 97 1.231 -2.048 3.975 697 1HB CYS 97 HB2 CYS 97 -1.325 -1.238 2.577 698 2HB CYS 97 HB1 CYS 97 0.283 -1.416 1.876 699 H ASN 98 HN ASN 98 2.000 0.100 3.872 700 HA ASN 98 HA ASN 98 1.336 1.927 5.879 701 1HB ASN 98 HB2 ASN 98 2.646 2.050 3.188 702 2HB ASN 98 HB1 ASN 98 2.329 3.568 4.027 703 1HD2 ASN 98 HD21 ASN 98 4.806 3.649 4.136 704 2HD2 ASN 98 HD22 ASN 98 5.570 2.838 5.417 705 H LEU 99 HN LEU 99 -1.054 2.057 5.931 706 HA LEU 99 HA LEU 99 -2.056 4.031 3.940 707 1HB LEU 99 HB2 LEU 99 -3.197 1.332 4.681 708 2HB LEU 99 HB1 LEU 99 -4.151 2.563 3.861 709 HG LEU 99 HG LEU 99 -1.489 1.570 2.836 710 1HD1 LEU 99 HD11 LEU 99 -3.013 0.446 1.098 711 2HD1 LEU 99 HD12 LEU 99 -4.321 0.691 2.256 712 3HD1 LEU 99 HD13 LEU 99 -2.933 -0.306 2.691 713 1HD2 LEU 99 HD21 LEU 99 -2.165 3.826 2.094 714 2HD2 LEU 99 HD22 LEU 99 -3.727 3.192 1.574 715 3HD2 LEU 99 HD23 LEU 99 -2.250 2.680 0.759 716 H THR 100 HN THR 100 -3.578 5.443 4.765 717 HA THR 100 HA THR 100 -4.756 5.100 7.435 718 HB THR 100 HB THR 100 -3.635 7.557 7.737 719 HG1 THR 100 HG1 THR 100 -1.870 7.725 6.618 720 1HG2 THR 100 HG21 THR 100 -2.083 5.071 8.433 721 2HG2 THR 100 HG22 THR 100 -3.616 5.450 9.218 722 3HG2 THR 100 HG23 THR 100 -2.251 6.557 9.367 723 H GLN 101 HN GLN 101 -6.354 6.854 7.818 724 HA GLN 101 HA GLN 101 -7.904 7.559 5.553 725 1HB GLN 101 HB2 GLN 101 -7.683 8.303 8.416 726 2HB GLN 101 HB1 GLN 101 -8.522 9.474 7.397 727 1HG GLN 101 HG2 GLN 101 -10.078 7.792 6.628 728 2HG GLN 101 HG1 GLN 101 -9.167 6.515 7.434 729 1HE2 GLN 101 HE21 GLN 101 -9.874 5.981 9.503 730 2HE2 GLN 101 HE22 GLN 101 -10.850 6.967 10.482 731 H CYS 102 HN CYS 102 -6.770 8.599 3.876 732 HA CYS 102 HA CYS 102 -4.709 10.420 3.923 733 1HB CYS 102 HB2 CYS 102 -7.233 10.609 2.243 734 2HB CYS 102 HB1 CYS 102 -5.655 11.270 1.814 735 HA PRO 103 HA PRO 103 -6.287 13.804 6.296 736 1HB PRO 103 HB2 PRO 103 -4.317 15.609 5.696 737 2HB PRO 103 HB1 PRO 103 -4.089 14.268 6.836 738 1HG PRO 103 HG2 PRO 103 -3.245 14.497 3.991 739 2HG PRO 103 HG1 PRO 103 -2.392 13.783 5.367 740 1HD PRO 103 HD2 PRO 103 -3.705 12.307 3.494 741 2HD PRO 103 HD1 PRO 103 -3.488 11.780 5.178 742 H VAL 104 HN VAL 104 -6.168 13.611 2.936 743 HA VAL 104 HA VAL 104 -7.042 16.384 2.404 744 HB VAL 104 HB VAL 104 -6.638 13.886 0.732 745 1HG1 VAL 104 HG11 VAL 104 -8.209 15.017 -0.559 746 2HG1 VAL 104 HG12 VAL 104 -6.715 15.758 -1.133 747 3HG1 VAL 104 HG13 VAL 104 -7.719 16.599 0.048 748 1HG2 VAL 104 HG21 VAL 104 -4.499 14.623 1.175 749 2HG2 VAL 104 HG22 VAL 104 -5.019 16.284 1.461 750 3HG2 VAL 104 HG23 VAL 104 -4.864 15.680 -0.189 751 H THR 105 HN THR 105 -8.527 13.710 3.662 752 HA THR 105 HA THR 105 -10.962 13.524 2.131 753 HB THR 105 HB THR 105 -10.071 11.825 3.715 754 HG1 THR 105 HG1 THR 105 -12.560 12.853 4.588 755 1HG2 THR 105 HG21 THR 105 -9.564 13.901 5.369 756 2HG2 THR 105 HG22 THR 105 -9.717 12.238 5.937 757 3HG2 THR 105 HG23 THR 105 -11.089 13.340 6.055 758 H GLU 106 HN GLU 106 -11.736 15.701 1.815 759 HA GLU 106 HA GLU 106 -12.030 17.802 3.564 760 1HB GLU 106 HB2 GLU 106 -13.998 18.384 2.217 761 2HB GLU 106 HB1 GLU 106 -12.760 17.670 1.183 762 1HG GLU 106 HG2 GLU 106 -14.104 15.433 1.944 763 2HG GLU 106 HG1 GLU 106 -15.417 16.611 1.954 764 H SER 107 HN SER 107 -13.550 18.399 5.192 765 HA SER 107 HA SER 107 -14.576 16.268 6.851 766 1HB SER 107 HB2 SER 107 -13.922 18.931 7.100 767 2HB SER 107 HB1 SER 107 -15.681 18.983 7.181 768 HG SER 107 HG SER 107 -13.982 17.302 8.721 769 H SER 108 HN SER 108 -17.077 16.882 7.639 770 HA SER 108 HA SER 108 -18.743 16.012 5.409 771 1HB SER 108 HB2 SER 108 -18.778 16.106 8.267 772 2HB SER 108 HB1 SER 108 -20.243 16.890 7.685 773 HG SER 108 HG SER 108 -19.837 14.345 7.877 774 H VAL 109 HN VAL 109 -17.526 18.999 6.119 775 HA VAL 109 HA VAL 109 -19.619 20.856 6.126 776 HB VAL 109 HB VAL 109 -17.127 21.241 6.229 777 1HG1 VAL 109 HG11 VAL 109 -17.143 19.876 3.820 778 2HG1 VAL 109 HG12 VAL 109 -15.785 20.803 4.457 779 3HG1 VAL 109 HG13 VAL 109 -16.907 21.551 3.320 780 1HG2 VAL 109 HG21 VAL 109 -17.269 23.318 4.627 781 2HG2 VAL 109 HG22 VAL 109 -18.334 23.239 6.030 782 3HG2 VAL 109 HG23 VAL 109 -18.950 22.823 4.431 783 H LEU 110 HN LEU 110 -20.771 21.935 4.403 784 HA LEU 110 HA LEU 110 -21.163 20.219 1.994 785 1HB LEU 110 HB2 LEU 110 -22.752 22.280 3.513 786 2HB LEU 110 HB1 LEU 110 -23.213 21.839 1.868 787 HG LEU 110 HG LEU 110 -22.817 19.373 2.985 788 1HD1 LEU 110 HD11 LEU 110 -23.620 19.302 5.203 789 2HD1 LEU 110 HD12 LEU 110 -24.273 20.938 5.114 790 3HD1 LEU 110 HD13 LEU 110 -22.529 20.688 5.205 791 1HD2 LEU 110 HD21 LEU 110 -25.033 19.123 2.484 792 2HD2 LEU 110 HD22 LEU 110 -24.864 20.746 1.815 793 3HD2 LEU 110 HD23 LEU 110 -25.508 20.526 3.442 794 H ALA 111 HN ALA 111 -18.964 21.268 1.291 795 HA ALA 111 HA ALA 111 -19.112 24.065 0.397 796 1HB ALA 111 HB1 ALA 111 -16.885 23.755 0.604 797 2HB ALA 111 HB2 ALA 111 -16.928 22.597 -0.726 798 3HB ALA 111 HB3 ALA 111 -17.157 22.044 0.933 799 H THR 112 HN THR 112 -19.065 24.694 -1.849 800 HA THR 112 HA THR 112 -20.200 22.625 -3.698 801 HB THR 112 HB THR 112 -20.452 25.375 -4.572 802 HG1 THR 112 HG1 THR 112 -20.360 26.000 -2.468 803 1HG2 THR 112 HG21 THR 112 -21.917 22.997 -4.568 804 2HG2 THR 112 HG22 THR 112 -22.443 24.548 -5.223 805 3HG2 THR 112 HG23 THR 112 -22.865 24.099 -3.570 806 H SER 113 HN SER 113 -19.582 23.034 -6.056 807 HA SER 113 HA SER 113 -16.681 23.202 -6.293 808 1HB SER 113 HB2 SER 113 -17.144 22.578 -8.583 809 2HB SER 113 HB1 SER 113 -18.280 21.699 -7.563 810 HG SER 113 HG SER 113 -19.780 23.427 -7.995 811 H THR 114 HN THR 114 -15.807 25.255 -6.098 812 HA THR 114 HA THR 114 -17.065 27.444 -7.721 813 HB THR 114 HB THR 114 -15.492 27.542 -5.125 814 HG1 THR 114 HG1 THR 114 -17.489 28.043 -4.240 815 1HG2 THR 114 HG21 THR 114 -15.115 29.558 -6.419 816 2HG2 THR 114 HG22 THR 114 -16.245 29.932 -5.117 817 3HG2 THR 114 HG23 THR 114 -16.839 29.705 -6.763 818 H ALA 115 HN ALA 115 -15.675 28.605 -9.073 819 HA ALA 115 HA ALA 115 -13.179 27.412 -9.868 820 1HB ALA 115 HB1 ALA 115 -14.990 29.518 -10.641 821 2HB ALA 115 HB2 ALA 115 -13.792 28.683 -11.630 822 3HB ALA 115 HB3 ALA 115 -13.333 30.117 -10.712 823 H VAL 116 HN VAL 116 -11.435 27.442 -8.477 824 HA VAL 116 HA VAL 116 -10.995 29.519 -6.500 825 HB VAL 116 HB VAL 116 -9.364 27.242 -7.651 826 1HG1 VAL 116 HG11 VAL 116 -8.444 29.510 -6.149 827 2HG1 VAL 116 HG12 VAL 116 -7.524 28.104 -6.685 828 3HG1 VAL 116 HG13 VAL 116 -8.349 28.076 -5.127 829 1HG2 VAL 116 HG21 VAL 116 -9.817 26.805 -4.962 830 2HG2 VAL 116 HG22 VAL 116 -10.783 26.127 -6.273 831 3HG2 VAL 116 HG23 VAL 116 -11.303 27.609 -5.470 832 H SER 117 HN SER 117 -10.125 29.110 -9.851 833 HA SER 117 HA SER 117 -8.258 31.452 -9.654 834 1HB SER 117 HB2 SER 117 -8.201 28.849 -10.990 835 2HB SER 117 HB1 SER 117 -7.864 30.176 -12.099 836 HG SER 117 HG SER 117 -5.933 29.905 -11.234 837 H GLU 118 HN GLU 118 -8.778 33.256 -10.872 838 HA GLU 118 HA GLU 118 -10.998 33.002 -12.874 839 1HB GLU 118 HB2 GLU 118 -11.685 35.294 -11.950 840 2HB GLU 118 HB1 GLU 118 -11.950 33.919 -10.876 841 1HG GLU 118 HG2 GLU 118 -9.277 35.161 -10.664 842 2HG GLU 118 HG1 GLU 118 -10.616 36.185 -10.142 843 H GLN 119 HN GLN 119 -11.002 34.915 -14.404 844 HA GLN 119 HA GLN 119 -8.506 36.470 -14.610 845 1HB GLN 119 HB2 GLN 119 -8.807 33.915 -15.821 846 2HB GLN 119 HB1 GLN 119 -8.892 35.108 -17.119 847 1HG GLN 119 HG2 GLN 119 -6.809 35.819 -15.241 848 2HG GLN 119 HG1 GLN 119 -6.568 34.173 -15.828 849 1HE2 GLN 119 HE21 GLN 119 -7.743 37.241 -17.345 850 2HE2 GLN 119 HE22 GLN 119 -6.717 37.133 -18.693
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