NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
638632 | 6msp | 30527 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -15.017 5.743 38.145 2 H2 MET 1 2H MET 1 -13.838 5.568 39.342 3 H3 MET 1 3H MET 1 -15.339 4.817 39.520 4 HA MET 1 HA MET 1 -13.644 3.251 38.907 5 HB2 MET 1 2HB MET 1 -16.106 3.120 38.099 6 HB3 MET 1 3HB MET 1 -15.520 3.688 36.544 7 HG2 MET 1 2HG MET 1 -14.615 1.127 37.894 8 HG3 MET 1 3HG MET 1 -15.860 1.231 36.653 9 HE1 MET 1 1HE MET 1 -12.833 -0.495 34.812 10 HE2 MET 1 2HE MET 1 -14.543 -0.637 35.222 11 HE3 MET 1 3HE MET 1 -13.318 -0.710 36.494 12 H GLY 2 H GLY 2 -14.298 5.596 36.279 13 HA2 GLY 2 2HA GLY 2 -12.827 6.841 35.001 14 HA3 GLY 2 3HA GLY 2 -11.469 6.034 35.772 15 H HIS 3 H HIS 3 -11.006 6.393 33.302 16 HA HIS 3 HA HIS 3 -10.680 3.798 32.183 17 HB2 HIS 3 2HB HIS 3 -13.022 4.168 31.381 18 HB3 HIS 3 3HB HIS 3 -12.528 5.683 30.627 19 HD1 HIS 3 HD1 HIS 3 -11.986 1.943 30.334 20 HD2 HIS 3 HD2 HIS 3 -11.476 5.382 28.052 21 HE1 HIS 3 HE1 HIS 3 -11.284 1.152 28.057 22 HE2 HIS 3 HE2 HIS 3 -10.764 3.254 26.786 23 H HIS 4 H HIS 4 -8.595 4.016 31.582 24 HA HIS 4 HA HIS 4 -7.326 6.445 30.812 25 HB2 HIS 4 2HB HIS 4 -6.059 4.573 31.830 26 HB3 HIS 4 3HB HIS 4 -6.433 3.546 30.450 27 HD1 HIS 4 HD1 HIS 4 -4.328 6.536 31.407 28 HD2 HIS 4 HD2 HIS 4 -4.729 3.843 28.279 29 HE1 HIS 4 HE1 HIS 4 -2.346 6.923 29.924 30 HE2 HIS 4 HE2 HIS 4 -2.502 5.118 28.178 31 H HIS 5 H HIS 5 -7.421 7.436 28.926 32 HA HIS 5 HA HIS 5 -8.869 6.452 26.647 33 HB2 HIS 5 2HB HIS 5 -7.217 8.995 27.066 34 HB3 HIS 5 3HB HIS 5 -8.185 8.674 25.626 35 HD1 HIS 5 HD1 HIS 5 -10.726 8.956 25.815 36 HD2 HIS 5 HD2 HIS 5 -8.729 9.602 29.402 37 HE1 HIS 5 HE1 HIS 5 -12.414 9.993 27.355 38 HE2 HIS 5 HE2 HIS 5 -11.239 10.157 29.568 39 H HIS 6 H HIS 6 -7.780 6.781 24.343 40 HA HIS 6 HA HIS 6 -6.085 4.570 24.124 41 HB2 HIS 6 2HB HIS 6 -5.940 4.958 21.746 42 HB3 HIS 6 3HB HIS 6 -7.571 5.313 22.271 43 HD1 HIS 6 HD1 HIS 6 -8.491 7.610 21.734 44 HD2 HIS 6 HD2 HIS 6 -4.436 7.278 20.890 45 HE1 HIS 6 HE1 HIS 6 -7.894 9.667 20.441 46 HE2 HIS 6 HE2 HIS 6 -5.410 9.530 20.117 47 H HIS 7 H HIS 7 -3.957 4.284 24.301 48 HA HIS 7 HA HIS 7 -2.217 6.511 24.900 49 HB2 HIS 7 2HB HIS 7 -0.501 4.845 25.374 50 HB3 HIS 7 3HB HIS 7 -2.010 4.354 26.126 51 HD1 HIS 7 HD1 HIS 7 -3.111 2.178 25.271 52 HD2 HIS 7 HD2 HIS 7 0.423 3.128 23.299 53 HE1 HIS 7 HE1 HIS 7 -2.431 0.097 24.056 54 HE2 HIS 7 HE2 HIS 7 -0.245 0.665 22.953 55 H HIS 8 H HIS 8 -0.380 7.128 23.748 56 HA HIS 8 HA HIS 8 -0.190 6.285 20.912 57 HB2 HIS 8 2HB HIS 8 -0.998 8.555 20.896 58 HB3 HIS 8 3HB HIS 8 0.111 9.047 22.174 59 HD1 HIS 8 HD1 HIS 8 0.384 7.710 18.593 60 HD2 HIS 8 HD2 HIS 8 2.284 10.353 21.173 61 HE1 HIS 8 HE1 HIS 8 2.285 8.681 17.297 62 HE2 HIS 8 HE2 HIS 8 3.551 10.081 18.956 63 H GLU 9 H GLU 9 1.568 5.078 20.703 64 HA GLU 9 HA GLU 9 4.062 5.794 22.136 65 HB2 GLU 9 2HB GLU 9 4.867 3.541 21.780 66 HB3 GLU 9 3HB GLU 9 3.254 3.421 22.467 67 HG2 GLU 9 2HG GLU 9 3.906 3.073 19.518 68 HG3 GLU 9 3HG GLU 9 3.744 1.749 20.668 69 H ASN 10 H ASN 10 6.045 5.705 20.842 70 HA ASN 10 HA ASN 10 5.594 6.772 18.122 71 HB2 ASN 10 2HB ASN 10 7.775 7.418 20.156 72 HB3 ASN 10 3HB ASN 10 7.798 7.980 18.484 73 HD21 ASN 10 1HD2 ASN 10 7.746 10.139 19.111 74 HD22 ASN 10 2HD2 ASN 10 6.332 10.893 19.755 75 H LEU 11 H LEU 11 6.075 5.275 16.626 76 HA LEU 11 HA LEU 11 8.299 3.433 16.822 77 HB2 LEU 11 2HB LEU 11 6.687 4.295 14.379 78 HB3 LEU 11 3HB LEU 11 7.813 2.945 14.437 79 HG LEU 11 HG LEU 11 5.186 3.138 15.970 80 HD11 LEU 11 1HD1 LEU 11 4.391 1.371 14.485 81 HD12 LEU 11 2HD1 LEU 11 5.910 1.423 13.585 82 HD13 LEU 11 3HD1 LEU 11 4.832 2.822 13.585 83 HD21 LEU 11 1HD2 LEU 11 7.162 0.824 15.864 84 HD22 LEU 11 2HD2 LEU 11 5.571 0.791 16.631 85 HD23 LEU 11 3HD2 LEU 11 6.830 1.848 17.263 86 H TYR 12 H TYR 12 10.172 4.479 17.107 87 HA TYR 12 HA TYR 12 10.817 7.092 16.376 88 HB2 TYR 12 2HB TYR 12 12.686 4.786 17.050 89 HB3 TYR 12 3HB TYR 12 13.160 6.482 17.009 90 HD1 TYR 12 HD1 TYR 12 12.270 8.070 18.743 91 HD2 TYR 12 HD2 TYR 12 11.505 3.867 18.976 92 HE1 TYR 12 HE1 TYR 12 11.678 8.309 21.114 93 HE2 TYR 12 HE2 TYR 12 10.906 4.112 21.343 94 HH TYR 12 HH TYR 12 10.416 7.161 22.817 95 H PHE 13 H PHE 13 11.248 4.112 14.583 96 HA PHE 13 HA PHE 13 12.673 5.537 12.418 97 HB2 PHE 13 2HB PHE 13 14.109 3.580 12.061 98 HB3 PHE 13 3HB PHE 13 14.279 4.148 13.714 99 HD1 PHE 13 HD1 PHE 13 13.072 2.860 15.583 100 HD2 PHE 13 HD2 PHE 13 13.488 1.309 11.607 101 HE1 PHE 13 HE1 PHE 13 12.603 0.593 16.412 102 HE2 PHE 13 HE2 PHE 13 13.018 -0.949 12.450 103 HZ PHE 13 HZ PHE 13 12.573 -1.311 14.845 104 H GLN 14 H GLN 14 12.615 4.370 10.377 105 HA GLN 14 HA GLN 14 10.283 2.635 9.880 106 HB2 GLN 14 2HB GLN 14 9.930 4.996 9.050 107 HB3 GLN 14 3HB GLN 14 11.356 4.831 8.036 108 HG2 GLN 14 2HG GLN 14 10.265 3.208 6.624 109 HG3 GLN 14 3HG GLN 14 8.914 3.050 7.747 110 HE21 GLN 14 1HE2 GLN 14 9.068 3.864 4.846 111 HE22 GLN 14 2HE2 GLN 14 8.212 5.359 4.775 112 H SER 15 H SER 15 10.763 1.494 7.604 113 HA SER 15 HA SER 15 13.082 -0.147 8.102 114 HB2 SER 15 2HB SER 15 10.948 -0.290 5.937 115 HB3 SER 15 3HB SER 15 12.061 -1.588 6.373 116 HG SER 15 HG SER 15 10.217 -0.412 8.189 117 H HIS 16 H HIS 16 14.319 2.131 7.470 118 HA HIS 16 HA HIS 16 14.534 2.740 4.671 119 HB2 HIS 16 2HB HIS 16 14.728 4.503 6.392 120 HB3 HIS 16 3HB HIS 16 16.192 3.754 7.014 121 HD1 HIS 16 HD1 HIS 16 18.289 4.781 6.145 122 HD2 HIS 16 HD2 HIS 16 15.128 5.267 3.490 123 HE1 HIS 16 HE1 HIS 16 19.177 6.211 4.285 124 HE2 HIS 16 HE2 HIS 16 17.238 6.528 2.713 125 H MET 17 H MET 17 15.176 0.781 3.812 126 HA MET 17 HA MET 17 17.925 0.503 3.215 127 HB2 MET 17 2HB MET 17 18.075 -0.742 5.336 128 HB3 MET 17 3HB MET 17 16.663 -1.704 4.920 129 HG2 MET 17 2HG MET 17 18.789 -2.957 4.677 130 HG3 MET 17 3HG MET 17 17.888 -2.849 3.164 131 HE1 MET 17 1HE MET 17 20.988 -3.701 3.302 132 HE2 MET 17 2HE MET 17 21.626 -2.773 1.944 133 HE3 MET 17 3HE MET 17 20.069 -3.587 1.797 134 H THR 18 H THR 18 14.942 -1.414 3.449 135 HA THR 18 HA THR 18 14.814 -2.031 0.614 136 HB THR 18 HB THR 18 12.843 -2.453 2.911 137 HG1 THR 18 HG1 THR 18 14.458 -3.859 3.234 138 HG21 THR 18 1HG2 THR 18 11.633 -2.331 0.738 139 HG22 THR 18 2HG2 THR 18 11.588 -3.956 1.423 140 HG23 THR 18 3HG2 THR 18 12.687 -3.591 0.092 141 H ASP 19 H ASP 19 13.412 0.184 2.965 142 HA ASP 19 HA ASP 19 11.338 1.336 1.503 143 HB2 ASP 19 2HB ASP 19 11.450 1.660 3.881 144 HB3 ASP 19 3HB ASP 19 13.035 2.416 3.768 145 H GLU 20 H GLU 20 11.871 1.740 -0.518 146 HA GLU 20 HA GLU 20 13.324 4.189 -1.152 147 HB2 GLU 20 2HB GLU 20 14.891 2.162 -1.460 148 HB3 GLU 20 3HB GLU 20 13.782 1.577 -2.695 149 HG2 GLU 20 2HG GLU 20 15.675 2.695 -3.737 150 HG3 GLU 20 3HG GLU 20 14.200 3.623 -4.029 151 H LEU 21 H LEU 21 11.879 1.432 -2.875 152 HA LEU 21 HA LEU 21 9.961 2.993 -4.314 153 HB2 LEU 21 2HB LEU 21 9.078 0.936 -5.165 154 HB3 LEU 21 3HB LEU 21 10.822 0.790 -5.144 155 HG LEU 21 HG LEU 21 8.979 -0.507 -3.072 156 HD11 LEU 21 1HD1 LEU 21 10.280 -1.800 -5.487 157 HD12 LEU 21 2HD1 LEU 21 8.557 -1.480 -5.277 158 HD13 LEU 21 3HD1 LEU 21 9.370 -2.634 -4.224 159 HD21 LEU 21 1HD2 LEU 21 10.937 -1.867 -2.437 160 HD22 LEU 21 2HD2 LEU 21 11.264 -0.149 -2.210 161 HD23 LEU 21 3HD2 LEU 21 11.934 -0.994 -3.607 162 H LEU 22 H LEU 22 10.060 1.539 -1.165 163 HA LEU 22 HA LEU 22 7.274 1.352 -0.635 164 HB2 LEU 22 2HB LEU 22 9.590 1.648 1.304 165 HB3 LEU 22 3HB LEU 22 7.942 1.246 1.761 166 HG LEU 22 HG LEU 22 9.826 -0.488 0.120 167 HD11 LEU 22 1HD1 LEU 22 10.388 -0.433 2.498 168 HD12 LEU 22 2HD1 LEU 22 9.755 -2.010 2.036 169 HD13 LEU 22 3HD1 LEU 22 8.731 -0.876 2.921 170 HD21 LEU 22 1HD2 LEU 22 7.523 -0.775 -0.690 171 HD22 LEU 22 2HD2 LEU 22 6.962 -1.083 0.957 172 HD23 LEU 22 3HD2 LEU 22 8.071 -2.211 0.172 173 H GLU 23 H GLU 23 9.708 3.917 0.070 174 HA GLU 23 HA GLU 23 7.975 5.749 1.321 175 HB2 GLU 23 2HB GLU 23 10.453 6.022 1.339 176 HB3 GLU 23 3HB GLU 23 10.418 6.414 -0.380 177 HG2 GLU 23 2HG GLU 23 8.944 8.392 0.157 178 HG3 GLU 23 3HG GLU 23 9.147 8.030 1.868 179 H ARG 24 H ARG 24 8.726 5.173 -2.090 180 HA ARG 24 HA ARG 24 7.239 7.230 -3.295 181 HB2 ARG 24 2HB ARG 24 7.938 4.430 -4.262 182 HB3 ARG 24 3HB ARG 24 7.143 5.617 -5.290 183 HG2 ARG 24 2HG ARG 24 9.873 5.996 -4.008 184 HG3 ARG 24 3HG ARG 24 9.598 5.449 -5.667 185 HD2 ARG 24 2HD ARG 24 8.860 8.147 -4.483 186 HD3 ARG 24 3HD ARG 24 10.085 7.825 -5.710 187 HE ARG 24 HE ARG 24 7.186 7.922 -6.072 188 HH11 ARG 24 1HH1 ARG 24 10.282 7.231 -7.583 189 HH12 ARG 24 2HH1 ARG 24 9.646 7.325 -9.189 190 HH21 ARG 24 1HH2 ARG 24 6.372 8.006 -8.185 191 HH22 ARG 24 2HH2 ARG 24 7.439 7.762 -9.533 192 H LEU 25 H LEU 25 6.224 4.150 -1.887 193 HA LEU 25 HA LEU 25 3.506 4.267 -2.884 194 HB2 LEU 25 2HB LEU 25 4.707 2.579 -0.645 195 HB3 LEU 25 3HB LEU 25 3.092 2.371 -1.316 196 HG LEU 25 HG LEU 25 5.685 1.984 -2.864 197 HD11 LEU 25 1HD1 LEU 25 5.232 -0.405 -2.785 198 HD12 LEU 25 2HD1 LEU 25 3.801 -0.124 -1.789 199 HD13 LEU 25 3HD1 LEU 25 5.406 0.256 -1.160 200 HD21 LEU 25 1HD2 LEU 25 4.282 1.025 -4.640 201 HD22 LEU 25 2HD2 LEU 25 3.857 2.705 -4.331 202 HD23 LEU 25 3HD2 LEU 25 2.824 1.411 -3.717 203 H ARG 26 H ARG 26 5.264 5.262 0.053 204 HA ARG 26 HA ARG 26 2.959 5.984 1.572 205 HB2 ARG 26 2HB ARG 26 5.333 5.590 2.510 206 HB3 ARG 26 3HB ARG 26 5.697 7.231 2.012 207 HG2 ARG 26 2HG ARG 26 3.929 8.112 3.463 208 HG3 ARG 26 3HG ARG 26 3.418 6.478 3.882 209 HD2 ARG 26 2HD ARG 26 5.590 6.106 4.999 210 HD3 ARG 26 3HD ARG 26 6.071 7.760 4.604 211 HE ARG 26 HE ARG 26 3.729 7.125 6.311 212 HH11 ARG 26 1HH1 ARG 26 6.610 9.056 5.742 213 HH12 ARG 26 2HH1 ARG 26 6.363 10.048 7.144 214 HH21 ARG 26 1HH2 ARG 26 3.420 8.433 8.145 215 HH22 ARG 26 2HH2 ARG 26 4.556 9.695 8.502 216 H GLN 27 H GLN 27 4.790 7.606 -0.934 217 HA GLN 27 HA GLN 27 3.928 10.258 -0.475 218 HB2 GLN 27 2HB GLN 27 4.530 8.933 -3.156 219 HB3 GLN 27 3HB GLN 27 4.392 10.669 -2.885 220 HG2 GLN 27 2HG GLN 27 6.558 8.789 -1.925 221 HG3 GLN 27 3HG GLN 27 6.717 10.170 -3.003 222 HE21 GLN 27 1HE2 GLN 27 6.529 9.105 0.298 223 HE22 GLN 27 2HE2 GLN 27 6.874 10.625 1.044 224 H LEU 28 H LEU 28 2.497 7.544 -2.251 225 HA LEU 28 HA LEU 28 0.157 8.934 -3.121 226 HB2 LEU 28 2HB LEU 28 1.050 6.944 -4.292 227 HB3 LEU 28 3HB LEU 28 0.685 5.951 -2.892 228 HG LEU 28 HG LEU 28 -1.751 6.349 -3.224 229 HD11 LEU 28 1HD1 LEU 28 -2.604 7.438 -5.252 230 HD12 LEU 28 2HD1 LEU 28 -0.960 7.899 -5.708 231 HD13 LEU 28 3HD1 LEU 28 -1.694 8.565 -4.247 232 HD21 LEU 28 1HD2 LEU 28 -2.053 5.012 -5.250 233 HD22 LEU 28 2HD2 LEU 28 -0.736 4.388 -4.260 234 HD23 LEU 28 3HD2 LEU 28 -0.376 5.318 -5.716 235 H PHE 29 H PHE 29 0.922 6.854 -0.293 236 HA PHE 29 HA PHE 29 -1.721 6.621 0.727 237 HB2 PHE 29 2HB PHE 29 0.933 6.468 2.229 238 HB3 PHE 29 3HB PHE 29 -0.622 6.008 2.915 239 HD1 PHE 29 HD1 PHE 29 -1.632 4.612 0.260 240 HD2 PHE 29 HD2 PHE 29 1.972 4.291 2.578 241 HE1 PHE 29 HE1 PHE 29 -1.289 2.321 -0.558 242 HE2 PHE 29 HE2 PHE 29 2.287 1.997 1.752 243 HZ PHE 29 HZ PHE 29 0.662 1.012 0.184 244 H GLU 30 H GLU 30 0.890 8.893 1.487 245 HA GLU 30 HA GLU 30 -0.484 10.452 3.414 246 HB2 GLU 30 2HB GLU 30 2.065 10.868 1.832 247 HB3 GLU 30 3HB GLU 30 1.434 12.154 2.856 248 HG2 GLU 30 2HG GLU 30 2.054 9.366 3.880 249 HG3 GLU 30 3HG GLU 30 3.219 10.692 3.901 250 H GLU 31 H GLU 31 -0.171 10.625 -0.073 251 HA GLU 31 HA GLU 31 -1.302 13.193 -0.500 252 HB2 GLU 31 2HB GLU 31 -0.015 11.896 -2.191 253 HB3 GLU 31 3HB GLU 31 -1.323 10.722 -2.283 254 HG2 GLU 31 2HG GLU 31 -2.822 12.585 -3.086 255 HG3 GLU 31 3HG GLU 31 -1.398 13.626 -3.156 256 H LEU 32 H LEU 32 -2.719 9.915 -0.626 257 HA LEU 32 HA LEU 32 -5.427 10.697 -1.012 258 HB2 LEU 32 2HB LEU 32 -4.220 8.093 -0.019 259 HB3 LEU 32 3HB LEU 32 -5.920 8.291 -0.424 260 HG LEU 32 HG LEU 32 -3.631 8.629 -2.405 261 HD11 LEU 32 1HD1 LEU 32 -4.312 6.471 -3.345 262 HD12 LEU 32 2HD1 LEU 32 -5.484 6.260 -2.041 263 HD13 LEU 32 3HD1 LEU 32 -3.756 6.308 -1.681 264 HD21 LEU 32 1HD2 LEU 32 -6.631 8.516 -2.872 265 HD22 LEU 32 2HD2 LEU 32 -5.386 8.611 -4.122 266 HD23 LEU 32 3HD2 LEU 32 -5.609 9.953 -3.004 267 H HIS 33 H HIS 33 -3.426 10.463 1.783 268 HA HIS 33 HA HIS 33 -5.282 10.053 3.854 269 HB2 HIS 33 2HB HIS 33 -2.745 9.948 3.980 270 HB3 HIS 33 3HB HIS 33 -2.729 11.703 3.998 271 HD1 HIS 33 HD1 HIS 33 -1.401 11.142 6.290 272 HD2 HIS 33 HD2 HIS 33 -5.486 10.380 6.301 273 HE1 HIS 33 HE1 HIS 33 -2.065 10.990 8.697 274 HE2 HIS 33 HE2 HIS 33 -4.543 10.593 8.682 275 H GLU 34 H GLU 34 -4.775 12.834 1.825 276 HA GLU 34 HA GLU 34 -5.748 14.962 3.344 277 HB2 GLU 34 2HB GLU 34 -6.240 16.086 1.255 278 HB3 GLU 34 3HB GLU 34 -4.780 15.135 1.023 279 HG2 GLU 34 2HG GLU 34 -6.181 13.364 -0.098 280 HG3 GLU 34 3HG GLU 34 -7.567 14.446 0.026 281 H ARG 35 H ARG 35 -7.543 12.417 1.594 282 HA ARG 35 HA ARG 35 -10.119 13.447 2.620 283 HB2 ARG 35 2HB ARG 35 -11.195 11.816 1.086 284 HB3 ARG 35 3HB ARG 35 -10.154 12.942 0.232 285 HG2 ARG 35 2HG ARG 35 -8.779 10.415 0.961 286 HG3 ARG 35 3HG ARG 35 -10.165 10.171 -0.096 287 HD2 ARG 35 2HD ARG 35 -7.929 12.131 -0.702 288 HD3 ARG 35 3HD ARG 35 -7.937 10.456 -1.264 289 HE ARG 35 HE ARG 35 -10.322 11.359 -2.129 290 HH11 ARG 35 1HH1 ARG 35 -7.069 12.660 -2.551 291 HH12 ARG 35 2HH1 ARG 35 -7.450 13.374 -4.080 292 HH21 ARG 35 1HH2 ARG 35 -10.769 12.287 -4.123 293 HH22 ARG 35 2HH2 ARG 35 -9.537 13.163 -4.971 294 H GLY 36 H GLY 36 -7.817 10.837 2.896 295 HA2 GLY 36 2HA GLY 36 -7.564 9.085 4.312 296 HA3 GLY 36 3HA GLY 36 -8.592 9.971 5.427 297 H THR 37 H THR 37 -9.404 8.656 2.230 298 HA THR 37 HA THR 37 -11.902 7.584 3.225 299 HB THR 37 HB THR 37 -11.686 8.735 0.985 300 HG1 THR 37 HG1 THR 37 -13.025 7.233 -0.120 301 HG21 THR 37 1HG2 THR 37 -10.740 7.509 -0.946 302 HG22 THR 37 2HG2 THR 37 -10.228 6.204 0.126 303 HG23 THR 37 3HG2 THR 37 -9.497 7.803 0.276 304 H GLU 38 H GLU 38 -12.398 5.291 1.932 305 HA GLU 38 HA GLU 38 -10.976 3.199 3.154 306 HB2 GLU 38 2HB GLU 38 -12.250 1.733 1.494 307 HB3 GLU 38 3HB GLU 38 -13.226 2.770 2.528 308 HG2 GLU 38 2HG GLU 38 -13.504 4.374 0.656 309 HG3 GLU 38 3HG GLU 38 -12.543 3.318 -0.382 310 H ILE 39 H ILE 39 -8.790 3.518 2.755 311 HA ILE 39 HA ILE 39 -7.740 3.243 0.032 312 HB ILE 39 HB ILE 39 -6.243 3.684 2.663 313 HG12 ILE 39 2HG1 ILE 39 -6.798 5.721 0.457 314 HG13 ILE 39 3HG1 ILE 39 -7.737 5.615 1.944 315 HG21 ILE 39 1HG2 ILE 39 -5.220 3.821 -0.203 316 HG22 ILE 39 2HG2 ILE 39 -4.818 2.572 0.978 317 HG23 ILE 39 3HG2 ILE 39 -4.282 4.233 1.235 318 HD11 ILE 39 1HD1 ILE 39 -4.802 6.298 1.730 319 HD12 ILE 39 2HD1 ILE 39 -5.713 6.152 3.236 320 HD13 ILE 39 3HD1 ILE 39 -6.130 7.407 2.072 321 H VAL 40 H VAL 40 -7.656 1.198 -0.646 322 HA VAL 40 HA VAL 40 -7.208 -1.004 1.268 323 HB VAL 40 HB VAL 40 -8.415 -1.124 -1.532 324 HG11 VAL 40 1HG1 VAL 40 -9.061 -3.447 -0.935 325 HG12 VAL 40 2HG1 VAL 40 -8.200 -3.288 0.598 326 HG13 VAL 40 3HG1 VAL 40 -7.306 -3.237 -0.924 327 HG21 VAL 40 1HG2 VAL 40 -9.799 -1.245 1.181 328 HG22 VAL 40 2HG2 VAL 40 -10.588 -1.501 -0.378 329 HG23 VAL 40 3HG2 VAL 40 -9.910 0.081 0.019 330 H VAL 41 H VAL 41 -5.102 -1.452 1.357 331 HA VAL 41 HA VAL 41 -3.349 -1.259 -0.972 332 HB VAL 41 HB VAL 41 -2.699 -1.957 1.921 333 HG11 VAL 41 1HG1 VAL 41 -0.352 -1.411 1.329 334 HG12 VAL 41 2HG1 VAL 41 -0.838 -1.150 -0.348 335 HG13 VAL 41 3HG1 VAL 41 -0.961 -2.760 0.366 336 HG21 VAL 41 1HG2 VAL 41 -3.657 0.288 1.786 337 HG22 VAL 41 2HG2 VAL 41 -2.532 0.716 0.494 338 HG23 VAL 41 3HG2 VAL 41 -1.926 0.391 2.118 339 H GLU 42 H GLU 42 -3.247 -2.985 -2.215 340 HA GLU 42 HA GLU 42 -3.756 -5.699 -1.179 341 HB2 GLU 42 2HB GLU 42 -5.631 -4.946 -2.517 342 HB3 GLU 42 3HB GLU 42 -4.567 -4.358 -3.785 343 HG2 GLU 42 2HG GLU 42 -5.673 -6.419 -4.463 344 HG3 GLU 42 3HG GLU 42 -3.932 -6.645 -4.365 345 H VAL 43 H VAL 43 -2.158 -7.133 -1.546 346 HA VAL 43 HA VAL 43 0.084 -6.415 -3.359 347 HB VAL 43 HB VAL 43 0.276 -7.689 -0.582 348 HG11 VAL 43 1HG1 VAL 43 2.506 -6.925 -2.503 349 HG12 VAL 43 2HG1 VAL 43 2.030 -8.564 -2.049 350 HG13 VAL 43 3HG1 VAL 43 2.736 -7.489 -0.842 351 HG21 VAL 43 1HG2 VAL 43 -0.242 -5.283 -0.424 352 HG22 VAL 43 2HG2 VAL 43 1.131 -4.907 -1.469 353 HG23 VAL 43 3HG2 VAL 43 1.406 -5.604 0.130 354 H HIS 44 H HIS 44 -0.399 -7.824 -5.011 355 HA HIS 44 HA HIS 44 -0.851 -10.690 -4.501 356 HB2 HIS 44 2HB HIS 44 -0.873 -9.068 -7.088 357 HB3 HIS 44 3HB HIS 44 -1.162 -10.797 -7.013 358 HD1 HIS 44 HD1 HIS 44 -3.475 -11.583 -6.275 359 HD2 HIS 44 HD2 HIS 44 -3.029 -7.459 -6.225 360 HE1 HIS 44 HE1 HIS 44 -5.793 -10.653 -6.036 361 HE2 HIS 44 HE2 HIS 44 -5.504 -8.163 -6.131 362 H ILE 45 H ILE 45 1.077 -11.757 -4.127 363 HA ILE 45 HA ILE 45 3.178 -11.473 -6.172 364 HB ILE 45 HB ILE 45 3.765 -12.198 -3.279 365 HG12 ILE 45 2HG1 ILE 45 4.238 -9.554 -4.727 366 HG13 ILE 45 3HG1 ILE 45 3.116 -9.814 -3.396 367 HG21 ILE 45 1HG2 ILE 45 5.624 -11.620 -5.629 368 HG22 ILE 45 2HG2 ILE 45 5.337 -13.202 -4.902 369 HG23 ILE 45 3HG2 ILE 45 6.148 -11.942 -3.975 370 HD11 ILE 45 1HD1 ILE 45 6.129 -9.980 -3.249 371 HD12 ILE 45 2HD1 ILE 45 5.014 -10.272 -1.910 372 HD13 ILE 45 3HD1 ILE 45 5.106 -8.675 -2.648 373 H ASN 46 H ASN 46 3.141 -13.121 -7.425 374 HA ASN 46 HA ASN 46 3.374 -15.176 -8.290 375 HB2 ASN 46 2HB ASN 46 3.710 -16.113 -5.417 376 HB3 ASN 46 3HB ASN 46 3.964 -17.131 -6.827 377 HD21 ASN 46 1HD2 ASN 46 5.766 -16.118 -4.675 378 HD22 ASN 46 2HD2 ASN 46 7.119 -15.446 -5.484 379 H GLY 47 H GLY 47 1.611 -15.926 -5.311 380 HA2 GLY 47 2HA GLY 47 -0.941 -16.293 -6.674 381 HA3 GLY 47 3HA GLY 47 -0.212 -17.780 -6.073 382 H GLU 48 H GLU 48 0.636 -15.160 -4.176 383 HA GLU 48 HA GLU 48 -1.469 -15.666 -2.168 384 HB2 GLU 48 2HB GLU 48 1.382 -14.606 -1.837 385 HB3 GLU 48 3HB GLU 48 0.206 -14.757 -0.530 386 HG2 GLU 48 2HG GLU 48 1.376 -17.055 -2.140 387 HG3 GLU 48 3HG GLU 48 1.838 -16.588 -0.502 388 H ARG 49 H ARG 49 -2.656 -13.877 -1.518 389 HA ARG 49 HA ARG 49 -1.752 -11.207 -2.404 390 HB2 ARG 49 2HB ARG 49 -3.920 -10.517 -3.050 391 HB3 ARG 49 3HB ARG 49 -3.692 -12.086 -3.801 392 HG2 ARG 49 2HG ARG 49 -5.230 -13.149 -2.315 393 HG3 ARG 49 3HG ARG 49 -5.212 -11.784 -1.195 394 HD2 ARG 49 2HD ARG 49 -6.321 -10.374 -2.919 395 HD3 ARG 49 3HD ARG 49 -6.378 -11.769 -3.999 396 HE ARG 49 HE ARG 49 -7.768 -12.846 -2.180 397 HH11 ARG 49 1HH1 ARG 49 -7.770 -9.356 -2.628 398 HH12 ARG 49 2HH1 ARG 49 -9.373 -9.160 -1.992 399 HH21 ARG 49 1HH2 ARG 49 -9.854 -12.573 -1.371 400 HH22 ARG 49 2HH2 ARG 49 -10.553 -10.989 -1.277 401 H ASP 50 H ASP 50 -2.319 -9.463 -1.040 402 HA ASP 50 HA ASP 50 -3.359 -10.135 1.646 403 HB2 ASP 50 2HB ASP 50 -0.763 -10.080 1.585 404 HB3 ASP 50 3HB ASP 50 -0.913 -8.362 1.242 405 H GLU 51 H GLU 51 -5.040 -8.858 1.944 406 HA GLU 51 HA GLU 51 -5.312 -6.278 0.508 407 HB2 GLU 51 2HB GLU 51 -6.889 -8.089 -0.155 408 HB3 GLU 51 3HB GLU 51 -7.436 -8.227 1.511 409 HG2 GLU 51 2HG GLU 51 -8.306 -5.903 1.384 410 HG3 GLU 51 3HG GLU 51 -7.806 -5.823 -0.305 411 H ILE 52 H ILE 52 -5.196 -4.519 1.824 412 HA ILE 52 HA ILE 52 -5.926 -4.742 4.698 413 HB ILE 52 HB ILE 52 -3.997 -2.619 3.678 414 HG12 ILE 52 2HG1 ILE 52 -3.032 -5.339 4.680 415 HG13 ILE 52 3HG1 ILE 52 -3.085 -4.898 2.976 416 HG21 ILE 52 1HG2 ILE 52 -4.945 -2.359 5.935 417 HG22 ILE 52 2HG2 ILE 52 -3.207 -2.652 6.034 418 HG23 ILE 52 3HG2 ILE 52 -4.343 -3.954 6.392 419 HD11 ILE 52 1HD1 ILE 52 -0.848 -4.663 3.921 420 HD12 ILE 52 2HD1 ILE 52 -1.445 -3.487 5.091 421 HD13 ILE 52 3HD1 ILE 52 -1.475 -3.114 3.364 422 H ARG 53 H ARG 53 -7.948 -3.785 4.812 423 HA ARG 53 HA ARG 53 -8.537 -1.370 3.230 424 HB2 ARG 53 2HB ARG 53 -10.375 -2.957 5.083 425 HB3 ARG 53 3HB ARG 53 -10.861 -1.609 4.066 426 HG2 ARG 53 2HG ARG 53 -11.613 -3.454 2.853 427 HG3 ARG 53 3HG ARG 53 -10.076 -3.100 2.071 428 HD2 ARG 53 2HD ARG 53 -10.405 -5.527 2.415 429 HD3 ARG 53 3HD ARG 53 -9.005 -4.927 3.312 430 HE ARG 53 HE ARG 53 -10.663 -4.814 5.270 431 HH11 ARG 53 1HH1 ARG 53 -10.810 -7.327 2.811 432 HH12 ARG 53 2HH1 ARG 53 -11.535 -8.486 3.880 433 HH21 ARG 53 1HH2 ARG 53 -11.625 -6.344 6.643 434 HH22 ARG 53 2HH2 ARG 53 -11.992 -7.930 6.042 435 H VAL 54 H VAL 54 -7.628 0.414 4.190 436 HA VAL 54 HA VAL 54 -8.103 0.858 7.088 437 HB VAL 54 HB VAL 54 -6.189 2.505 7.015 438 HG11 VAL 54 1HG1 VAL 54 -4.409 0.810 7.144 439 HG12 VAL 54 2HG1 VAL 54 -5.432 -0.352 6.295 440 HG13 VAL 54 3HG1 VAL 54 -5.891 0.218 7.901 441 HG21 VAL 54 1HG2 VAL 54 -6.121 2.942 4.572 442 HG22 VAL 54 2HG2 VAL 54 -5.560 1.292 4.294 443 HG23 VAL 54 3HG2 VAL 54 -4.548 2.431 5.187 444 H ARG 55 H ARG 55 -9.581 2.298 7.542 445 HA ARG 55 HA ARG 55 -10.422 4.335 5.550 446 HB2 ARG 55 2HB ARG 55 -12.221 2.853 7.517 447 HB3 ARG 55 3HB ARG 55 -12.735 3.963 6.248 448 HG2 ARG 55 2HG ARG 55 -12.111 2.372 4.527 449 HG3 ARG 55 3HG ARG 55 -11.360 1.308 5.715 450 HD2 ARG 55 2HD ARG 55 -13.503 0.390 5.077 451 HD3 ARG 55 3HD ARG 55 -13.590 0.937 6.748 452 HE ARG 55 HE ARG 55 -14.665 3.025 5.724 453 HH11 ARG 55 1HH1 ARG 55 -15.089 -0.204 4.375 454 HH12 ARG 55 2HH1 ARG 55 -16.638 0.170 3.690 455 HH21 ARG 55 1HH2 ARG 55 -16.687 3.481 4.822 456 HH22 ARG 55 2HH2 ARG 55 -17.546 2.256 3.944 457 H ASN 56 H ASN 56 -9.787 6.246 6.357 458 HA ASN 56 HA ASN 56 -9.403 8.035 7.660 459 HB2 ASN 56 2HB ASN 56 -11.540 6.805 9.437 460 HB3 ASN 56 3HB ASN 56 -10.842 8.389 9.735 461 HD21 ASN 56 1HD2 ASN 56 -11.761 7.043 6.558 462 HD22 ASN 56 2HD2 ASN 56 -12.983 8.217 6.249 463 H ILE 57 H ILE 57 -7.298 7.100 7.857 464 HA ILE 57 HA ILE 57 -6.579 6.171 10.579 465 HB ILE 57 HB ILE 57 -4.477 5.199 9.305 466 HG12 ILE 57 2HG1 ILE 57 -5.060 4.317 6.983 467 HG13 ILE 57 3HG1 ILE 57 -6.466 5.372 6.973 468 HG21 ILE 57 1HG2 ILE 57 -5.616 3.034 9.006 469 HG22 ILE 57 2HG2 ILE 57 -7.185 3.838 9.116 470 HG23 ILE 57 3HG2 ILE 57 -6.099 3.828 10.507 471 HD11 ILE 57 1HD1 ILE 57 -4.981 7.319 7.049 472 HD12 ILE 57 2HD1 ILE 57 -4.639 6.282 5.664 473 HD13 ILE 57 3HD1 ILE 57 -3.581 6.244 7.074 474 H SER 58 H SER 58 -4.208 6.608 11.072 475 HA SER 58 HA SER 58 -3.597 9.435 10.572 476 HB2 SER 58 2HB SER 58 -2.388 7.500 12.599 477 HB3 SER 58 3HB SER 58 -2.118 9.246 12.536 478 HG SER 58 HG SER 58 -3.881 8.123 13.945 479 H LYS 59 H LYS 59 -1.176 9.934 10.471 480 HA LYS 59 HA LYS 59 -0.032 8.731 8.149 481 HB2 LYS 59 2HB LYS 59 1.896 10.326 8.617 482 HB3 LYS 59 3HB LYS 59 0.317 11.071 8.452 483 HG2 LYS 59 2HG LYS 59 1.166 12.245 10.259 484 HG3 LYS 59 3HG LYS 59 0.267 10.967 11.077 485 HD2 LYS 59 2HD LYS 59 2.412 9.687 11.352 486 HD3 LYS 59 3HD LYS 59 3.283 11.026 10.601 487 HE2 LYS 59 2HE LYS 59 2.517 12.508 12.450 488 HE3 LYS 59 3HE LYS 59 1.725 11.122 13.203 489 HZ1 LYS 59 1HZ LYS 59 3.823 11.457 14.232 490 HZ2 LYS 59 2HZ LYS 59 4.628 11.501 12.748 491 HZ3 LYS 59 3HZ LYS 59 3.940 10.055 13.293 492 H GLU 60 H GLU 60 0.389 8.239 11.547 493 HA GLU 60 HA GLU 60 2.788 6.640 11.430 494 HB2 GLU 60 2HB GLU 60 2.250 6.214 13.851 495 HB3 GLU 60 3HB GLU 60 2.337 7.923 13.423 496 HG2 GLU 60 2HG GLU 60 -0.182 7.927 13.233 497 HG3 GLU 60 3HG GLU 60 -0.179 6.284 13.882 498 H GLU 61 H GLU 61 -0.607 6.084 11.012 499 HA GLU 61 HA GLU 61 -0.524 3.229 11.472 500 HB2 GLU 61 2HB GLU 61 -2.676 4.861 10.054 501 HB3 GLU 61 3HB GLU 61 -2.841 3.212 10.655 502 HG2 GLU 61 2HG GLU 61 -2.483 5.717 12.333 503 HG3 GLU 61 3HG GLU 61 -3.974 4.812 12.110 504 H LEU 62 H LEU 62 -0.644 5.422 8.627 505 HA LEU 62 HA LEU 62 -0.799 3.244 6.782 506 HB2 LEU 62 2HB LEU 62 -0.666 4.927 4.986 507 HB3 LEU 62 3HB LEU 62 -1.916 5.234 6.170 508 HG LEU 62 HG LEU 62 -0.325 7.000 7.192 509 HD11 LEU 62 1HD1 LEU 62 1.115 6.663 4.546 510 HD12 LEU 62 2HD1 LEU 62 1.774 6.343 6.150 511 HD13 LEU 62 3HD1 LEU 62 1.358 7.991 5.688 512 HD21 LEU 62 1HD2 LEU 62 -0.997 8.721 5.568 513 HD22 LEU 62 2HD2 LEU 62 -2.317 7.611 5.923 514 HD23 LEU 62 3HD2 LEU 62 -1.427 7.462 4.405 515 H LYS 63 H LYS 63 1.928 4.839 8.236 516 HA LYS 63 HA LYS 63 3.902 4.102 6.339 517 HB2 LYS 63 2HB LYS 63 5.557 4.311 8.102 518 HB3 LYS 63 3HB LYS 63 4.422 5.639 8.209 519 HG2 LYS 63 2HG LYS 63 3.642 5.011 10.285 520 HG3 LYS 63 3HG LYS 63 3.802 3.291 9.950 521 HD2 LYS 63 2HD LYS 63 6.097 5.172 10.650 522 HD3 LYS 63 3HD LYS 63 5.336 4.020 11.753 523 HE2 LYS 63 2HE LYS 63 6.023 2.180 10.124 524 HE3 LYS 63 3HE LYS 63 6.982 3.393 9.273 525 HZ1 LYS 63 1HZ LYS 63 8.300 2.091 10.818 526 HZ2 LYS 63 2HZ LYS 63 7.336 2.595 12.113 527 HZ3 LYS 63 3HZ LYS 63 8.277 3.721 11.275 528 H LYS 64 H LYS 64 2.149 2.297 8.776 529 HA LYS 64 HA LYS 64 3.759 -0.039 8.876 530 HB2 LYS 64 2HB LYS 64 0.775 0.256 9.428 531 HB3 LYS 64 3HB LYS 64 1.745 -1.152 9.850 532 HG2 LYS 64 2HG LYS 64 2.054 1.651 10.985 533 HG3 LYS 64 3HG LYS 64 1.346 0.259 11.814 534 HD2 LYS 64 2HD LYS 64 4.242 0.480 10.887 535 HD3 LYS 64 3HD LYS 64 3.672 0.721 12.537 536 HE2 LYS 64 2HE LYS 64 3.407 -1.885 10.997 537 HE3 LYS 64 3HE LYS 64 4.680 -1.528 12.160 538 HZ1 LYS 64 1HZ LYS 64 2.882 -2.837 13.117 539 HZ2 LYS 64 2HZ LYS 64 1.779 -1.600 12.790 540 HZ3 LYS 64 3HZ LYS 64 3.036 -1.343 13.889 541 H LEU 65 H LEU 65 1.426 1.125 6.514 542 HA LEU 65 HA LEU 65 0.548 -1.345 5.425 543 HB2 LEU 65 2HB LEU 65 0.824 1.387 4.091 544 HB3 LEU 65 3HB LEU 65 -0.073 0.045 3.405 545 HG LEU 65 HG LEU 65 -0.776 1.415 6.030 546 HD11 LEU 65 1HD1 LEU 65 -1.085 2.940 4.126 547 HD12 LEU 65 2HD1 LEU 65 -2.614 2.482 4.866 548 HD13 LEU 65 3HD1 LEU 65 -2.124 1.751 3.342 549 HD21 LEU 65 1HD2 LEU 65 -1.499 -0.917 5.976 550 HD22 LEU 65 2HD2 LEU 65 -2.301 -0.655 4.425 551 HD23 LEU 65 3HD2 LEU 65 -2.885 0.165 5.873 552 H LEU 66 H LEU 66 3.072 0.906 4.249 553 HA LEU 66 HA LEU 66 4.165 -0.855 2.288 554 HB2 LEU 66 2HB LEU 66 5.965 0.798 2.122 555 HB3 LEU 66 3HB LEU 66 4.384 1.561 2.114 556 HG LEU 66 HG LEU 66 5.112 1.606 4.844 557 HD11 LEU 66 1HD1 LEU 66 7.412 0.982 4.362 558 HD12 LEU 66 2HD1 LEU 66 7.317 2.617 5.012 559 HD13 LEU 66 3HD1 LEU 66 7.584 2.369 3.283 560 HD21 LEU 66 1HD2 LEU 66 3.921 3.371 3.714 561 HD22 LEU 66 2HD2 LEU 66 5.379 3.825 2.829 562 HD23 LEU 66 3HD2 LEU 66 5.312 4.019 4.583 563 H GLU 67 H GLU 67 4.844 -0.226 5.694 564 HA GLU 67 HA GLU 67 7.213 -1.764 5.901 565 HB2 GLU 67 2HB GLU 67 6.408 0.120 7.419 566 HB3 GLU 67 3HB GLU 67 5.271 -1.021 8.119 567 HG2 GLU 67 2HG GLU 67 6.972 -2.279 9.138 568 HG3 GLU 67 3HG GLU 67 8.211 -1.624 8.076 569 H ARG 68 H ARG 68 3.860 -2.682 5.674 570 HA ARG 68 HA ARG 68 4.410 -5.448 6.445 571 HB2 ARG 68 2HB ARG 68 1.941 -4.244 5.136 572 HB3 ARG 68 3HB ARG 68 2.103 -5.935 5.616 573 HG2 ARG 68 2HG ARG 68 2.539 -5.009 7.993 574 HG3 ARG 68 3HG ARG 68 1.920 -3.490 7.385 575 HD2 ARG 68 2HD ARG 68 0.146 -4.712 8.512 576 HD3 ARG 68 3HD ARG 68 -0.197 -4.601 6.781 577 HE ARG 68 HE ARG 68 0.990 -7.030 8.012 578 HH11 ARG 68 1HH1 ARG 68 -1.437 -5.570 5.977 579 HH12 ARG 68 2HH1 ARG 68 -2.087 -7.079 5.440 580 HH21 ARG 68 1HH2 ARG 68 0.123 -9.023 7.277 581 HH22 ARG 68 2HH2 ARG 68 -1.212 -9.018 6.170 582 H ILE 69 H ILE 69 4.158 -3.497 3.503 583 HA ILE 69 HA ILE 69 4.118 -5.580 1.586 584 HB ILE 69 HB ILE 69 5.131 -2.718 1.282 585 HG12 ILE 69 2HG1 ILE 69 2.427 -3.936 0.547 586 HG13 ILE 69 3HG1 ILE 69 2.731 -2.955 1.974 587 HG21 ILE 69 1HG2 ILE 69 4.831 -3.018 -1.173 588 HG22 ILE 69 2HG2 ILE 69 4.449 -4.721 -0.910 589 HG23 ILE 69 3HG2 ILE 69 6.060 -4.111 -0.528 590 HD11 ILE 69 1HD1 ILE 69 2.936 -2.032 -0.886 591 HD12 ILE 69 2HD1 ILE 69 3.266 -1.048 0.543 592 HD13 ILE 69 3HD1 ILE 69 1.643 -1.669 0.255 593 H ARG 70 H ARG 70 6.811 -3.889 3.196 594 HA ARG 70 HA ARG 70 9.017 -4.902 1.818 595 HB2 ARG 70 2HB ARG 70 10.383 -4.496 3.802 596 HB3 ARG 70 3HB ARG 70 9.213 -3.183 3.673 597 HG2 ARG 70 2HG ARG 70 7.847 -4.130 5.422 598 HG3 ARG 70 3HG ARG 70 8.794 -5.603 5.449 599 HD2 ARG 70 2HD ARG 70 10.705 -4.354 6.379 600 HD3 ARG 70 3HD ARG 70 9.721 -2.878 6.383 601 HE ARG 70 HE ARG 70 8.230 -4.779 7.716 602 HH11 ARG 70 1HH1 ARG 70 11.328 -3.237 8.311 603 HH12 ARG 70 2HH1 ARG 70 11.214 -3.427 10.027 604 HH21 ARG 70 1HH2 ARG 70 8.106 -4.999 9.940 605 HH22 ARG 70 2HH2 ARG 70 9.394 -4.422 10.945 606 H GLU 71 H GLU 71 7.025 -6.374 4.358 607 HA GLU 71 HA GLU 71 8.679 -8.601 4.977 608 HB2 GLU 71 2HB GLU 71 5.675 -8.231 5.379 609 HB3 GLU 71 3HB GLU 71 6.663 -9.464 6.161 610 HG2 GLU 71 2HG GLU 71 7.900 -7.732 7.380 611 HG3 GLU 71 3HG GLU 71 6.990 -6.470 6.545 612 H LYS 72 H LYS 72 6.255 -7.922 2.544 613 HA LYS 72 HA LYS 72 5.694 -10.661 1.820 614 HB2 LYS 72 2HB LYS 72 5.122 -8.197 0.118 615 HB3 LYS 72 3HB LYS 72 4.289 -9.750 0.078 616 HG2 LYS 72 2HG LYS 72 4.173 -7.688 2.301 617 HG3 LYS 72 3HG LYS 72 2.903 -8.018 1.122 618 HD2 LYS 72 2HD LYS 72 2.604 -10.290 2.092 619 HD3 LYS 72 3HD LYS 72 3.902 -9.966 3.251 620 HE2 LYS 72 2HE LYS 72 2.574 -8.125 4.230 621 HE3 LYS 72 3HE LYS 72 1.283 -8.425 3.063 622 HZ1 LYS 72 1HZ LYS 72 1.069 -10.671 4.016 623 HZ2 LYS 72 2HZ LYS 72 0.730 -9.445 5.123 624 HZ3 LYS 72 3HZ LYS 72 2.209 -10.263 5.201 625 H ILE 73 H ILE 73 7.688 -7.996 0.542 626 HA ILE 73 HA ILE 73 8.669 -9.553 -1.683 627 HB ILE 73 HB ILE 73 10.071 -7.613 -2.252 628 HG12 ILE 73 2HG1 ILE 73 9.529 -5.408 -0.788 629 HG13 ILE 73 3HG1 ILE 73 9.278 -6.582 0.486 630 HG21 ILE 73 1HG2 ILE 73 8.259 -6.002 -2.730 631 HG22 ILE 73 2HG2 ILE 73 7.216 -6.837 -1.576 632 HG23 ILE 73 3HG2 ILE 73 7.756 -7.668 -3.037 633 HD11 ILE 73 1HD1 ILE 73 11.494 -5.644 0.564 634 HD12 ILE 73 2HD1 ILE 73 11.818 -6.184 -1.082 635 HD13 ILE 73 3HD1 ILE 73 11.576 -7.365 0.207 636 H GLU 74 H GLU 74 9.640 -9.140 1.623 637 HA GLU 74 HA GLU 74 12.347 -10.055 1.342 638 HB2 GLU 74 2HB GLU 74 10.467 -9.949 3.737 639 HB3 GLU 74 3HB GLU 74 12.083 -10.638 3.859 640 HG2 GLU 74 2HG GLU 74 11.396 -7.773 3.152 641 HG3 GLU 74 3HG GLU 74 12.048 -8.346 4.684 642 H ARG 75 H ARG 75 9.279 -11.658 2.297 643 HA ARG 75 HA ARG 75 10.466 -14.231 2.610 644 HB2 ARG 75 2HB ARG 75 8.165 -15.083 2.837 645 HB3 ARG 75 3HB ARG 75 8.434 -13.651 3.823 646 HG2 ARG 75 2HG ARG 75 7.172 -12.265 2.292 647 HG3 ARG 75 3HG ARG 75 7.053 -13.576 1.117 648 HD2 ARG 75 2HD ARG 75 5.790 -13.542 3.881 649 HD3 ARG 75 3HD ARG 75 4.943 -13.288 2.347 650 HE ARG 75 HE ARG 75 6.086 -15.674 1.930 651 HH11 ARG 75 1HH1 ARG 75 4.161 -14.527 4.623 652 HH12 ARG 75 2HH1 ARG 75 3.537 -16.101 4.995 653 HH21 ARG 75 1HH2 ARG 75 5.290 -17.720 2.447 654 HH22 ARG 75 2HH2 ARG 75 4.177 -17.906 3.762 655 H GLU 76 H GLU 76 8.869 -12.645 -0.122 656 HA GLU 76 HA GLU 76 8.916 -15.115 -1.724 657 HB2 GLU 76 2HB GLU 76 7.815 -12.361 -2.421 658 HB3 GLU 76 3HB GLU 76 7.609 -13.831 -3.370 659 HG2 GLU 76 2HG GLU 76 6.452 -13.266 -0.621 660 HG3 GLU 76 3HG GLU 76 5.570 -13.304 -2.146 661 H GLY 77 H GLY 77 9.930 -11.686 -2.131 662 HA2 GLY 77 2HA GLY 77 11.639 -10.695 -3.286 663 HA3 GLY 77 3HA GLY 77 12.522 -12.203 -3.093 664 H SER 78 H SER 78 9.464 -12.031 -4.776 665 HA SER 78 HA SER 78 10.777 -13.109 -7.183 666 HB2 SER 78 2HB SER 78 7.854 -13.178 -6.311 667 HB3 SER 78 3HB SER 78 8.537 -14.018 -7.704 668 HG SER 78 HG SER 78 9.840 -14.526 -5.334 669 H SER 79 H SER 79 10.223 -12.367 -9.249 670 HA SER 79 HA SER 79 9.814 -9.585 -9.622 671 HB2 SER 79 2HB SER 79 11.159 -11.008 -11.172 672 HB3 SER 79 3HB SER 79 9.690 -11.830 -11.689 673 HG SER 79 HG SER 79 8.964 -9.608 -12.296 674 H GLU 80 H GLU 80 7.653 -12.330 -9.540 675 HA GLU 80 HA GLU 80 5.378 -11.079 -10.785 676 HB2 GLU 80 2HB GLU 80 5.782 -13.631 -10.596 677 HB3 GLU 80 3HB GLU 80 5.412 -13.479 -8.903 678 HG2 GLU 80 2HG GLU 80 3.482 -14.302 -10.170 679 HG3 GLU 80 3HG GLU 80 3.144 -12.772 -9.368 680 H VAL 81 H VAL 81 5.495 -9.065 -9.510 681 HA VAL 81 HA VAL 81 4.113 -9.238 -6.905 682 HB VAL 81 HB VAL 81 6.440 -8.913 -6.299 683 HG11 VAL 81 1HG1 VAL 81 6.532 -6.549 -8.207 684 HG12 VAL 81 2HG1 VAL 81 7.323 -8.110 -8.448 685 HG13 VAL 81 3HG1 VAL 81 7.834 -7.058 -7.127 686 HG21 VAL 81 1HG2 VAL 81 4.995 -6.239 -6.072 687 HG22 VAL 81 2HG2 VAL 81 6.364 -6.758 -5.083 688 HG23 VAL 81 3HG2 VAL 81 4.822 -7.608 -4.970 689 H GLU 82 H GLU 82 2.531 -7.823 -6.671 690 HA GLU 82 HA GLU 82 2.213 -5.493 -8.438 691 HB2 GLU 82 2HB GLU 82 0.893 -7.395 -9.410 692 HB3 GLU 82 3HB GLU 82 0.056 -7.585 -7.871 693 HG2 GLU 82 2HG GLU 82 -0.749 -5.169 -8.161 694 HG3 GLU 82 3HG GLU 82 -0.124 -5.255 -9.809 695 H VAL 83 H VAL 83 2.273 -3.898 -6.911 696 HA VAL 83 HA VAL 83 0.657 -4.142 -4.454 697 HB VAL 83 HB VAL 83 2.594 -1.910 -5.282 698 HG11 VAL 83 1HG1 VAL 83 0.814 -1.091 -3.770 699 HG12 VAL 83 2HG1 VAL 83 2.378 -1.093 -2.947 700 HG13 VAL 83 3HG1 VAL 83 1.202 -2.367 -2.612 701 HG21 VAL 83 1HG2 VAL 83 4.145 -2.823 -3.572 702 HG22 VAL 83 2HG2 VAL 83 3.816 -4.010 -4.839 703 HG23 VAL 83 3HG2 VAL 83 3.021 -4.153 -3.269 704 H ASN 84 H ASN 84 -1.160 -2.911 -4.201 705 HA ASN 84 HA ASN 84 -2.188 -1.581 -6.624 706 HB2 ASN 84 2HB ASN 84 -2.458 -4.113 -6.680 707 HB3 ASN 84 3HB ASN 84 -3.461 -3.988 -5.241 708 HD21 ASN 84 1HD2 ASN 84 -4.046 -5.061 -7.758 709 HD22 ASN 84 2HD2 ASN 84 -5.425 -4.212 -8.393 710 H VAL 85 H VAL 85 -2.749 0.329 -5.729 711 HA VAL 85 HA VAL 85 -3.920 0.421 -3.024 712 HB VAL 85 HB VAL 85 -2.756 2.703 -4.678 713 HG11 VAL 85 1HG1 VAL 85 -3.561 2.614 -1.742 714 HG12 VAL 85 2HG1 VAL 85 -4.411 3.481 -3.023 715 HG13 VAL 85 3HG1 VAL 85 -2.787 3.984 -2.550 716 HG21 VAL 85 1HG2 VAL 85 -1.459 1.155 -2.397 717 HG22 VAL 85 2HG2 VAL 85 -0.776 2.576 -3.191 718 HG23 VAL 85 3HG2 VAL 85 -0.989 1.077 -4.099 719 H HIS 86 H HIS 86 -6.009 0.739 -2.869 720 HA HIS 86 HA HIS 86 -7.575 1.923 -5.085 721 HB2 HIS 86 2HB HIS 86 -8.586 0.151 -2.817 722 HB3 HIS 86 3HB HIS 86 -9.496 0.682 -4.224 723 HD1 HIS 86 HD1 HIS 86 -9.086 -0.580 -6.450 724 HD2 HIS 86 HD2 HIS 86 -6.839 -2.035 -3.271 725 HE1 HIS 86 HE1 HIS 86 -8.205 -2.799 -7.202 726 HE2 HIS 86 HE2 HIS 86 -6.673 -3.537 -5.352 727 H SER 87 H SER 87 -9.009 3.638 -4.539 728 HA SER 87 HA SER 87 -9.480 4.400 -1.780 729 HB2 SER 87 2HB SER 87 -8.564 6.710 -2.008 730 HB3 SER 87 3HB SER 87 -7.291 5.499 -2.156 731 HG SER 87 HG SER 87 -7.711 5.724 -4.516 732 H GLY 88 H GLY 88 -11.641 4.419 -1.995 733 HA2 GLY 88 2HA GLY 88 -13.765 4.969 -2.652 734 HA3 GLY 88 3HA GLY 88 -13.080 6.457 -3.288 735 H GLY 89 H GLY 89 -12.209 3.221 -4.395 736 HA2 GLY 89 2HA GLY 89 -13.038 2.039 -6.281 737 HA3 GLY 89 3HA GLY 89 -13.750 3.517 -6.898 738 H GLN 90 H GLN 90 -10.951 4.767 -6.116 739 HA GLN 90 HA GLN 90 -9.915 4.605 -8.821 740 HB2 GLN 90 2HB GLN 90 -8.866 6.116 -6.391 741 HB3 GLN 90 3HB GLN 90 -8.338 6.354 -8.058 742 HG2 GLN 90 2HG GLN 90 -10.528 7.199 -8.677 743 HG3 GLN 90 3HG GLN 90 -11.167 6.831 -7.075 744 HE21 GLN 90 1HE2 GLN 90 -8.863 7.815 -5.596 745 HE22 GLN 90 2HE2 GLN 90 -8.897 9.537 -5.740 746 H THR 91 H THR 91 -8.286 3.286 -9.483 747 HA THR 91 HA THR 91 -6.793 1.708 -7.455 748 HB THR 91 HB THR 91 -7.851 0.848 -10.182 749 HG1 THR 91 HG1 THR 91 -9.511 0.939 -8.675 750 HG21 THR 91 1HG2 THR 91 -7.116 -1.422 -9.588 751 HG22 THR 91 2HG2 THR 91 -6.431 -0.822 -8.079 752 HG23 THR 91 3HG2 THR 91 -5.727 -0.331 -9.622 753 H TRP 92 H TRP 92 -4.611 1.516 -7.692 754 HA TRP 92 HA TRP 92 -3.229 2.327 -10.185 755 HB2 TRP 92 2HB TRP 92 -2.377 3.080 -7.342 756 HB3 TRP 92 3HB TRP 92 -1.429 3.385 -8.793 757 HD1 TRP 92 HD1 TRP 92 -2.336 5.356 -10.451 758 HE1 TRP 92 HE1 TRP 92 -3.792 7.419 -9.975 759 HE3 TRP 92 HE3 TRP 92 -4.304 3.949 -5.952 760 HZ2 TRP 92 HZ2 TRP 92 -5.542 8.340 -7.972 761 HZ3 TRP 92 HZ3 TRP 92 -5.860 5.475 -4.822 762 HH2 TRP 92 HH2 TRP 92 -6.469 7.628 -5.807 763 H THR 93 H THR 93 -1.932 0.645 -10.843 764 HA THR 93 HA THR 93 -1.063 -1.390 -8.858 765 HB THR 93 HB THR 93 -0.783 -2.918 -10.871 766 HG1 THR 93 HG1 THR 93 -2.202 -2.131 -12.707 767 HG21 THR 93 1HG2 THR 93 -2.773 -3.084 -9.416 768 HG22 THR 93 2HG2 THR 93 -3.184 -3.432 -11.096 769 HG23 THR 93 3HG2 THR 93 -3.597 -1.865 -10.393 770 H PHE 94 H PHE 94 0.934 -0.982 -8.237 771 HA PHE 94 HA PHE 94 3.076 -0.122 -10.031 772 HB2 PHE 94 2HB PHE 94 3.126 -0.643 -7.020 773 HB3 PHE 94 3HB PHE 94 4.391 0.145 -7.962 774 HD1 PHE 94 HD1 PHE 94 4.115 2.465 -8.753 775 HD2 PHE 94 HD2 PHE 94 1.048 0.554 -6.441 776 HE1 PHE 94 HE1 PHE 94 3.041 4.643 -8.357 777 HE2 PHE 94 HE2 PHE 94 -0.011 2.735 -6.055 778 HZ PHE 94 HZ PHE 94 0.983 4.778 -7.010 779 H ASN 95 H ASN 95 3.928 -1.767 -11.167 780 HA ASN 95 HA ASN 95 4.499 -4.384 -9.878 781 HB2 ASN 95 2HB ASN 95 3.939 -3.755 -12.817 782 HB3 ASN 95 3HB ASN 95 4.428 -5.332 -12.209 783 HD21 ASN 95 1HD2 ASN 95 2.897 -6.644 -11.247 784 HD22 ASN 95 2HD2 ASN 95 1.216 -6.252 -11.187 785 H GLU 96 H GLU 96 6.607 -5.110 -9.966 786 HA GLU 96 HA GLU 96 8.702 -3.331 -10.813 787 HB2 GLU 96 2HB GLU 96 8.809 -6.214 -9.824 788 HB3 GLU 96 3HB GLU 96 10.237 -5.238 -10.167 789 HG2 GLU 96 2HG GLU 96 8.124 -4.627 -8.069 790 HG3 GLU 96 3HG GLU 96 9.722 -5.298 -7.754 791 H LYS 97 H LYS 97 8.963 -2.997 -12.865 792 HA LYS 97 HA LYS 97 8.215 -4.622 -15.021 793 HB2 LYS 97 2HB LYS 97 9.585 -2.926 -16.387 794 HB3 LYS 97 3HB LYS 97 8.269 -2.289 -15.407 795 HG2 LYS 97 2HG LYS 97 9.926 -1.624 -13.659 796 HG3 LYS 97 3HG LYS 97 11.231 -2.185 -14.711 797 HD2 LYS 97 2HD LYS 97 10.692 -0.486 -16.369 798 HD3 LYS 97 3HD LYS 97 9.244 -0.008 -15.478 799 HE2 LYS 97 2HE LYS 97 12.103 0.297 -14.493 800 HE3 LYS 97 3HE LYS 97 11.087 1.596 -15.122 801 HZ1 LYS 97 1HZ LYS 97 11.087 1.609 -12.731 802 HZ2 LYS 97 2HZ LYS 97 10.567 0.003 -12.663 803 HZ3 LYS 97 3HZ LYS 97 9.544 1.198 -13.282 Start of MODEL 2 1 H1 MET 1 1H MET 1 -11.454 8.966 35.821 2 H2 MET 1 2H MET 1 -10.060 8.011 35.787 3 H3 MET 1 3H MET 1 -11.520 7.359 36.339 4 HA MET 1 HA MET 1 -10.961 6.605 34.126 5 HB2 MET 1 2HB MET 1 -13.155 6.996 33.122 6 HB3 MET 1 3HB MET 1 -13.340 6.777 34.853 7 HG2 MET 1 2HG MET 1 -13.644 9.186 35.158 8 HG3 MET 1 3HG MET 1 -13.373 9.460 33.435 9 HE1 MET 1 1HE MET 1 -17.227 10.176 33.705 10 HE2 MET 1 2HE MET 1 -15.696 10.755 33.048 11 HE3 MET 1 3HE MET 1 -15.938 10.675 34.797 12 H GLY 2 H GLY 2 -10.926 7.157 31.819 13 HA2 GLY 2 2HA GLY 2 -11.059 9.337 30.367 14 HA3 GLY 2 3HA GLY 2 -9.607 9.742 31.275 15 H HIS 3 H HIS 3 -9.401 9.644 28.588 16 HA HIS 3 HA HIS 3 -7.444 7.561 28.154 17 HB2 HIS 3 2HB HIS 3 -9.543 6.365 27.530 18 HB3 HIS 3 3HB HIS 3 -9.924 7.626 26.365 19 HD1 HIS 3 HD1 HIS 3 -7.409 4.840 26.963 20 HD2 HIS 3 HD2 HIS 3 -8.745 7.277 23.870 21 HE1 HIS 3 HE1 HIS 3 -6.323 3.952 24.879 22 HE2 HIS 3 HE2 HIS 3 -7.306 5.314 23.013 23 H HIS 4 H HIS 4 -5.919 8.174 26.711 24 HA HIS 4 HA HIS 4 -6.464 10.303 24.730 25 HB2 HIS 4 2HB HIS 4 -3.968 10.116 26.492 26 HB3 HIS 4 3HB HIS 4 -4.155 11.212 25.125 27 HD1 HIS 4 HD1 HIS 4 -4.756 10.961 28.713 28 HD2 HIS 4 HD2 HIS 4 -6.251 13.216 25.559 29 HE1 HIS 4 HE1 HIS 4 -5.955 12.885 29.773 30 HE2 HIS 4 HE2 HIS 4 -7.063 14.065 27.856 31 H HIS 5 H HIS 5 -4.589 10.317 23.095 32 HA HIS 5 HA HIS 5 -2.917 8.053 22.742 33 HB2 HIS 5 2HB HIS 5 -3.871 7.158 20.635 34 HB3 HIS 5 3HB HIS 5 -4.997 6.944 21.966 35 HD1 HIS 5 HD1 HIS 5 -4.982 7.870 18.541 36 HD2 HIS 5 HD2 HIS 5 -7.013 9.251 21.891 37 HE1 HIS 5 HE1 HIS 5 -6.973 9.108 17.661 38 HE2 HIS 5 HE2 HIS 5 -8.277 9.761 19.703 39 H HIS 6 H HIS 6 -1.163 9.103 22.085 40 HA HIS 6 HA HIS 6 -1.384 11.357 20.155 41 HB2 HIS 6 2HB HIS 6 -0.729 12.097 22.461 42 HB3 HIS 6 3HB HIS 6 0.650 11.007 22.419 43 HD1 HIS 6 HD1 HIS 6 2.792 12.013 21.570 44 HD2 HIS 6 HD2 HIS 6 -0.517 14.252 20.424 45 HE1 HIS 6 HE1 HIS 6 3.720 14.101 20.529 46 HE2 HIS 6 HE2 HIS 6 1.700 15.496 19.992 47 H HIS 7 H HIS 7 -0.087 11.235 18.363 48 HA HIS 7 HA HIS 7 1.179 8.812 17.628 49 HB2 HIS 7 2HB HIS 7 1.416 11.583 16.380 50 HB3 HIS 7 3HB HIS 7 2.005 10.098 15.637 51 HD1 HIS 7 HD1 HIS 7 -0.824 12.269 15.582 52 HD2 HIS 7 HD2 HIS 7 -0.281 8.170 15.271 53 HE1 HIS 7 HE1 HIS 7 -2.914 11.398 14.510 54 HE2 HIS 7 HE2 HIS 7 -2.426 8.969 14.097 55 H HIS 8 H HIS 8 3.350 8.327 17.342 56 HA HIS 8 HA HIS 8 5.484 9.962 18.397 57 HB2 HIS 8 2HB HIS 8 6.183 8.282 20.111 58 HB3 HIS 8 3HB HIS 8 4.631 9.016 20.487 59 HD1 HIS 8 HD1 HIS 8 6.264 5.789 20.012 60 HD2 HIS 8 HD2 HIS 8 2.362 7.201 20.102 61 HE1 HIS 8 HE1 HIS 8 4.827 3.759 20.269 62 HE2 HIS 8 HE2 HIS 8 2.509 4.669 20.569 63 H GLU 9 H GLU 9 5.425 9.590 16.008 64 HA GLU 9 HA GLU 9 5.740 7.171 14.704 65 HB2 GLU 9 2HB GLU 9 6.455 8.466 12.742 66 HB3 GLU 9 3HB GLU 9 5.088 9.226 13.532 67 HG2 GLU 9 2HG GLU 9 7.920 10.164 14.019 68 HG3 GLU 9 3HG GLU 9 6.993 10.728 12.638 69 H ASN 10 H ASN 10 7.453 6.032 13.854 70 HA ASN 10 HA ASN 10 10.218 6.821 14.585 71 HB2 ASN 10 2HB ASN 10 9.124 4.012 14.064 72 HB3 ASN 10 3HB ASN 10 10.814 4.406 14.384 73 HD21 ASN 10 1HD2 ASN 10 11.374 5.204 16.485 74 HD22 ASN 10 2HD2 ASN 10 10.385 4.846 17.856 75 H LEU 11 H LEU 11 10.493 8.131 12.850 76 HA LEU 11 HA LEU 11 9.886 7.416 10.135 77 HB2 LEU 11 2HB LEU 11 11.144 9.541 9.586 78 HB3 LEU 11 3HB LEU 11 9.803 9.736 10.692 79 HG LEU 11 HG LEU 11 11.580 9.728 12.595 80 HD11 LEU 11 1HD1 LEU 11 13.476 10.309 10.300 81 HD12 LEU 11 2HD1 LEU 11 13.532 8.919 11.384 82 HD13 LEU 11 3HD1 LEU 11 13.834 10.535 12.015 83 HD21 LEU 11 1HD2 LEU 11 11.996 12.139 12.359 84 HD22 LEU 11 2HD2 LEU 11 10.331 11.722 11.965 85 HD23 LEU 11 3HD2 LEU 11 11.479 12.067 10.671 86 H TYR 12 H TYR 12 11.525 7.304 8.417 87 HA TYR 12 HA TYR 12 14.047 6.007 9.250 88 HB2 TYR 12 2HB TYR 12 12.636 6.041 6.534 89 HB3 TYR 12 3HB TYR 12 14.191 5.270 6.845 90 HD1 TYR 12 HD1 TYR 12 10.542 5.041 7.410 91 HD2 TYR 12 HD2 TYR 12 14.311 3.150 8.124 92 HE1 TYR 12 HE1 TYR 12 9.385 3.004 8.145 93 HE2 TYR 12 HE2 TYR 12 13.135 1.118 8.861 94 HH TYR 12 HH TYR 12 10.940 0.513 9.799 95 H PHE 13 H PHE 13 15.538 7.511 9.576 96 HA PHE 13 HA PHE 13 15.899 9.912 8.074 97 HB2 PHE 13 2HB PHE 13 16.833 9.710 10.338 98 HB3 PHE 13 3HB PHE 13 17.818 8.331 9.860 99 HD1 PHE 13 HD1 PHE 13 17.290 11.971 9.075 100 HD2 PHE 13 HD2 PHE 13 20.064 8.715 9.186 101 HE1 PHE 13 HE1 PHE 13 19.127 13.506 8.491 102 HE2 PHE 13 HE2 PHE 13 21.893 10.257 8.603 103 HZ PHE 13 HZ PHE 13 21.424 12.650 8.252 104 H GLN 14 H GLN 14 17.400 6.706 8.032 105 HA GLN 14 HA GLN 14 18.559 7.195 5.349 106 HB2 GLN 14 2HB GLN 14 20.235 7.062 7.221 107 HB3 GLN 14 3HB GLN 14 19.674 5.436 7.588 108 HG2 GLN 14 2HG GLN 14 20.416 4.695 5.342 109 HG3 GLN 14 3HG GLN 14 20.995 6.327 5.005 110 HE21 GLN 14 1HE2 GLN 14 22.818 7.107 6.166 111 HE22 GLN 14 2HE2 GLN 14 23.933 6.033 6.934 112 H SER 15 H SER 15 17.263 6.132 3.972 113 HA SER 15 HA SER 15 15.620 3.894 4.614 114 HB2 SER 15 2HB SER 15 16.361 5.050 1.887 115 HB3 SER 15 3HB SER 15 15.018 3.949 2.214 116 HG SER 15 HG SER 15 13.931 5.531 3.206 117 H HIS 16 H HIS 16 16.115 1.782 4.584 118 HA HIS 16 HA HIS 16 18.362 0.694 3.020 119 HB2 HIS 16 2HB HIS 16 19.325 1.406 5.222 120 HB3 HIS 16 3HB HIS 16 18.164 0.386 6.061 121 HD1 HIS 16 HD1 HIS 16 18.487 -2.277 5.645 122 HD2 HIS 16 HD2 HIS 16 21.663 0.147 4.508 123 HE1 HIS 16 HE1 HIS 16 20.454 -3.816 5.390 124 HE2 HIS 16 HE2 HIS 16 22.280 -2.356 4.487 125 H MET 17 H MET 17 15.410 0.346 4.809 126 HA MET 17 HA MET 17 15.225 -2.571 4.524 127 HB2 MET 17 2HB MET 17 13.301 -0.599 5.852 128 HB3 MET 17 3HB MET 17 13.269 -2.350 6.010 129 HG2 MET 17 2HG MET 17 15.387 -2.299 7.210 130 HG3 MET 17 3HG MET 17 15.478 -0.548 7.004 131 HE1 MET 17 1HE MET 17 15.743 0.025 9.517 132 HE2 MET 17 2HE MET 17 15.842 -1.698 9.884 133 HE3 MET 17 3HE MET 17 14.752 -0.660 10.804 134 H THR 18 H THR 18 15.270 -1.768 2.078 135 HA THR 18 HA THR 18 14.406 -1.135 0.110 136 HB THR 18 HB THR 18 13.804 -3.523 0.245 137 HG1 THR 18 HG1 THR 18 12.700 -3.421 -1.610 138 HG21 THR 18 1HG2 THR 18 12.140 -3.514 2.061 139 HG22 THR 18 2HG2 THR 18 11.465 -4.239 0.603 140 HG23 THR 18 3HG2 THR 18 11.024 -2.590 1.057 141 H ASP 19 H ASP 19 13.648 0.693 2.211 142 HA ASP 19 HA ASP 19 10.988 1.630 2.011 143 HB2 ASP 19 2HB ASP 19 13.443 3.295 2.724 144 HB3 ASP 19 3HB ASP 19 11.776 3.669 3.132 145 H GLU 20 H GLU 20 13.559 1.847 -0.205 146 HA GLU 20 HA GLU 20 13.124 4.241 -1.550 147 HB2 GLU 20 2HB GLU 20 15.067 2.724 -1.893 148 HB3 GLU 20 3HB GLU 20 14.017 1.572 -2.708 149 HG2 GLU 20 2HG GLU 20 15.279 2.822 -4.354 150 HG3 GLU 20 3HG GLU 20 13.574 3.250 -4.477 151 H LEU 21 H LEU 21 11.746 0.995 -2.234 152 HA LEU 21 HA LEU 21 9.859 1.849 -4.208 153 HB2 LEU 21 2HB LEU 21 10.558 -0.498 -4.088 154 HB3 LEU 21 3HB LEU 21 9.975 -0.629 -2.439 155 HG LEU 21 HG LEU 21 7.607 -0.208 -3.378 156 HD11 LEU 21 1HD1 LEU 21 7.203 -0.745 -5.735 157 HD12 LEU 21 2HD1 LEU 21 8.945 -0.795 -6.025 158 HD13 LEU 21 3HD1 LEU 21 8.171 0.715 -5.538 159 HD21 LEU 21 1HD2 LEU 21 7.266 -2.556 -4.025 160 HD22 LEU 21 2HD2 LEU 21 8.295 -2.413 -2.602 161 HD23 LEU 21 3HD2 LEU 21 9.012 -2.773 -4.173 162 H LEU 22 H LEU 22 9.638 1.145 -0.747 163 HA LEU 22 HA LEU 22 6.833 0.993 -0.570 164 HB2 LEU 22 2HB LEU 22 8.833 1.551 1.646 165 HB3 LEU 22 3HB LEU 22 7.209 0.913 1.855 166 HG LEU 22 HG LEU 22 9.497 -0.524 0.460 167 HD11 LEU 22 1HD1 LEU 22 8.305 -0.989 3.211 168 HD12 LEU 22 2HD1 LEU 22 9.899 -0.316 2.854 169 HD13 LEU 22 3HD1 LEU 22 9.537 -1.987 2.432 170 HD21 LEU 22 1HD2 LEU 22 8.031 -2.510 0.483 171 HD22 LEU 22 2HD2 LEU 22 7.361 -1.210 -0.499 172 HD23 LEU 22 3HD2 LEU 22 6.703 -1.528 1.109 173 H GLU 23 H GLU 23 9.077 3.650 0.196 174 HA GLU 23 HA GLU 23 7.099 5.250 1.515 175 HB2 GLU 23 2HB GLU 23 9.781 5.189 1.749 176 HB3 GLU 23 3HB GLU 23 9.685 6.470 0.553 177 HG2 GLU 23 2HG GLU 23 9.756 7.621 2.586 178 HG3 GLU 23 3HG GLU 23 8.044 7.625 2.179 179 H ARG 24 H ARG 24 8.049 4.873 -1.821 180 HA ARG 24 HA ARG 24 6.966 7.229 -2.966 181 HB2 ARG 24 2HB ARG 24 6.761 4.424 -4.160 182 HB3 ARG 24 3HB ARG 24 6.678 5.949 -5.039 183 HG2 ARG 24 2HG ARG 24 9.055 6.371 -4.529 184 HG3 ARG 24 3HG ARG 24 9.122 4.860 -3.620 185 HD2 ARG 24 2HD ARG 24 8.402 3.694 -5.799 186 HD3 ARG 24 3HD ARG 24 8.755 5.222 -6.612 187 HE ARG 24 HE ARG 24 10.644 3.329 -5.454 188 HH11 ARG 24 1HH1 ARG 24 10.303 6.557 -6.838 189 HH12 ARG 24 2HH1 ARG 24 11.995 6.684 -7.200 190 HH21 ARG 24 1HH2 ARG 24 12.808 3.512 -5.982 191 HH22 ARG 24 2HH2 ARG 24 13.403 4.968 -6.717 192 H LEU 25 H LEU 25 5.541 4.175 -1.930 193 HA LEU 25 HA LEU 25 2.846 4.736 -2.732 194 HB2 LEU 25 2HB LEU 25 4.041 2.644 -0.870 195 HB3 LEU 25 3HB LEU 25 2.312 2.783 -1.129 196 HG LEU 25 HG LEU 25 2.654 2.274 -3.564 197 HD11 LEU 25 1HD1 LEU 25 4.950 3.035 -3.861 198 HD12 LEU 25 2HD1 LEU 25 4.773 1.357 -4.366 199 HD13 LEU 25 3HD1 LEU 25 5.538 1.736 -2.819 200 HD21 LEU 25 1HD2 LEU 25 3.735 0.188 -1.647 201 HD22 LEU 25 2HD2 LEU 25 3.083 -0.129 -3.258 202 HD23 LEU 25 3HD2 LEU 25 2.034 0.509 -1.994 203 H ARG 26 H ARG 26 4.788 5.267 0.211 204 HA ARG 26 HA ARG 26 2.743 6.126 1.943 205 HB2 ARG 26 2HB ARG 26 5.249 5.915 2.536 206 HB3 ARG 26 3HB ARG 26 5.460 7.512 1.831 207 HG2 ARG 26 2HG ARG 26 3.554 8.226 3.491 208 HG3 ARG 26 3HG ARG 26 3.940 6.722 4.324 209 HD2 ARG 26 2HD ARG 26 5.177 8.414 5.434 210 HD3 ARG 26 3HD ARG 26 6.360 7.571 4.429 211 HE ARG 26 HE ARG 26 5.128 9.896 3.221 212 HH11 ARG 26 1HH1 ARG 26 7.926 8.731 5.029 213 HH12 ARG 26 2HH1 ARG 26 8.894 10.110 4.607 214 HH21 ARG 26 1HH2 ARG 26 6.338 11.709 2.780 215 HH22 ARG 26 2HH2 ARG 26 7.990 11.812 3.326 216 H GLN 27 H GLN 27 4.607 7.966 -0.505 217 HA GLN 27 HA GLN 27 3.472 10.512 -0.045 218 HB2 GLN 27 2HB GLN 27 4.336 9.541 -2.795 219 HB3 GLN 27 3HB GLN 27 4.347 11.189 -2.184 220 HG2 GLN 27 2HG GLN 27 6.156 8.950 -1.247 221 HG3 GLN 27 3HG GLN 27 6.602 10.225 -2.370 222 HE21 GLN 27 1HE2 GLN 27 7.693 9.436 0.262 223 HE22 GLN 27 2HE2 GLN 27 7.670 10.874 1.218 224 H LEU 28 H LEU 28 2.307 7.760 -1.921 225 HA LEU 28 HA LEU 28 0.049 9.057 -3.115 226 HB2 LEU 28 2HB LEU 28 1.005 6.936 -4.008 227 HB3 LEU 28 3HB LEU 28 0.491 6.098 -2.554 228 HG LEU 28 HG LEU 28 -1.887 6.494 -3.136 229 HD11 LEU 28 1HD1 LEU 28 -0.853 7.843 -5.648 230 HD12 LEU 28 2HD1 LEU 28 -1.706 8.618 -4.310 231 HD13 LEU 28 3HD1 LEU 28 -2.539 7.432 -5.311 232 HD21 LEU 28 1HD2 LEU 28 -0.325 5.238 -5.414 233 HD22 LEU 28 2HD2 LEU 28 -2.041 4.999 -5.077 234 HD23 LEU 28 3HD2 LEU 28 -0.836 4.434 -3.926 235 H PHE 29 H PHE 29 0.513 7.100 -0.163 236 HA PHE 29 HA PHE 29 -2.211 7.129 0.688 237 HB2 PHE 29 2HB PHE 29 0.282 6.780 2.399 238 HB3 PHE 29 3HB PHE 29 -1.356 6.360 2.875 239 HD1 PHE 29 HD1 PHE 29 -1.961 5.029 0.017 240 HD2 PHE 29 HD2 PHE 29 1.133 4.592 2.947 241 HE1 PHE 29 HE1 PHE 29 -1.553 2.719 -0.730 242 HE2 PHE 29 HE2 PHE 29 1.525 2.285 2.191 243 HZ PHE 29 HZ PHE 29 0.180 1.346 0.358 244 H GLU 30 H GLU 30 0.386 9.421 0.904 245 HA GLU 30 HA GLU 30 -0.792 11.129 2.928 246 HB2 GLU 30 2HB GLU 30 1.547 11.564 1.013 247 HB3 GLU 30 3HB GLU 30 1.028 12.753 2.206 248 HG2 GLU 30 2HG GLU 30 1.489 11.086 4.011 249 HG3 GLU 30 3HG GLU 30 2.108 9.979 2.789 250 H GLU 31 H GLU 31 -0.548 11.016 -0.602 251 HA GLU 31 HA GLU 31 -2.039 13.314 -1.246 252 HB2 GLU 31 2HB GLU 31 -0.698 11.958 -2.873 253 HB3 GLU 31 3HB GLU 31 -1.872 10.654 -2.745 254 HG2 GLU 31 2HG GLU 31 -2.198 11.930 -4.804 255 HG3 GLU 31 3HG GLU 31 -3.599 12.083 -3.748 256 H LEU 32 H LEU 32 -2.972 10.082 -0.253 257 HA LEU 32 HA LEU 32 -5.834 10.509 -0.577 258 HB2 LEU 32 2HB LEU 32 -4.276 8.174 0.601 259 HB3 LEU 32 3HB LEU 32 -6.009 8.183 0.308 260 HG LEU 32 HG LEU 32 -3.895 8.425 -1.866 261 HD11 LEU 32 1HD1 LEU 32 -4.454 6.115 -2.483 262 HD12 LEU 32 2HD1 LEU 32 -5.518 5.990 -1.079 263 HD13 LEU 32 3HD1 LEU 32 -3.782 6.217 -0.856 264 HD21 LEU 32 1HD2 LEU 32 -5.745 8.042 -3.438 265 HD22 LEU 32 2HD2 LEU 32 -5.963 9.523 -2.511 266 HD23 LEU 32 3HD2 LEU 32 -6.897 8.082 -2.101 267 H HIS 33 H HIS 33 -3.453 10.860 1.925 268 HA HIS 33 HA HIS 33 -4.790 10.378 4.305 269 HB2 HIS 33 2HB HIS 33 -2.403 10.825 4.283 270 HB3 HIS 33 3HB HIS 33 -2.648 12.450 3.659 271 HD1 HIS 33 HD1 HIS 33 -3.163 14.299 5.356 272 HD2 HIS 33 HD2 HIS 33 -2.886 10.517 7.057 273 HE1 HIS 33 HE1 HIS 33 -3.165 14.670 7.834 274 HE2 HIS 33 HE2 HIS 33 -3.217 12.366 8.830 275 H GLU 34 H GLU 34 -4.888 13.259 2.291 276 HA GLU 34 HA GLU 34 -6.082 15.072 4.060 277 HB2 GLU 34 2HB GLU 34 -6.731 16.352 2.005 278 HB3 GLU 34 3HB GLU 34 -5.040 15.869 2.040 279 HG2 GLU 34 2HG GLU 34 -5.415 14.122 0.428 280 HG3 GLU 34 3HG GLU 34 -7.164 14.335 0.519 281 H ARG 35 H ARG 35 -7.617 12.631 1.949 282 HA ARG 35 HA ARG 35 -10.297 13.570 2.786 283 HB2 ARG 35 2HB ARG 35 -11.210 11.881 1.172 284 HB3 ARG 35 3HB ARG 35 -10.255 13.148 0.432 285 HG2 ARG 35 2HG ARG 35 -8.889 10.550 1.048 286 HG3 ARG 35 3HG ARG 35 -10.029 10.589 -0.295 287 HD2 ARG 35 2HD ARG 35 -7.634 12.450 -0.029 288 HD3 ARG 35 3HD ARG 35 -7.653 10.961 -0.974 289 HE ARG 35 HE ARG 35 -9.793 12.570 -1.822 290 HH11 ARG 35 1HH1 ARG 35 -6.259 12.555 -2.030 291 HH12 ARG 35 2HH1 ARG 35 -6.236 13.452 -3.512 292 HH21 ARG 35 1HH2 ARG 35 -9.715 13.742 -3.769 293 HH22 ARG 35 2HH2 ARG 35 -8.183 14.122 -4.492 294 H GLY 36 H GLY 36 -7.968 11.074 3.315 295 HA2 GLY 36 2HA GLY 36 -7.768 9.423 4.881 296 HA3 GLY 36 3HA GLY 36 -9.017 10.257 5.786 297 H THR 37 H THR 37 -9.642 9.014 2.571 298 HA THR 37 HA THR 37 -11.888 7.497 3.551 299 HB THR 37 HB THR 37 -11.959 8.860 1.436 300 HG1 THR 37 HG1 THR 37 -13.376 7.501 0.512 301 HG21 THR 37 1HG2 THR 37 -10.295 6.613 0.233 302 HG22 THR 37 2HG2 THR 37 -9.745 8.272 0.480 303 HG23 THR 37 3HG2 THR 37 -11.049 7.936 -0.660 304 H GLU 38 H GLU 38 -12.183 5.288 2.222 305 HA GLU 38 HA GLU 38 -10.575 3.320 3.355 306 HB2 GLU 38 2HB GLU 38 -11.753 1.790 1.679 307 HB3 GLU 38 3HB GLU 38 -12.789 2.737 2.737 308 HG2 GLU 38 2HG GLU 38 -13.135 4.371 0.874 309 HG3 GLU 38 3HG GLU 38 -12.180 3.329 -0.179 310 H ILE 39 H ILE 39 -8.415 3.441 2.991 311 HA ILE 39 HA ILE 39 -7.298 3.243 0.270 312 HB ILE 39 HB ILE 39 -5.818 3.304 2.951 313 HG12 ILE 39 2HG1 ILE 39 -6.247 5.616 0.998 314 HG13 ILE 39 3HG1 ILE 39 -7.082 5.426 2.533 315 HG21 ILE 39 1HG2 ILE 39 -4.506 2.251 1.154 316 HG22 ILE 39 2HG2 ILE 39 -3.808 3.810 1.590 317 HG23 ILE 39 3HG2 ILE 39 -4.763 3.655 0.113 318 HD11 ILE 39 1HD1 ILE 39 -5.319 7.042 2.733 319 HD12 ILE 39 2HD1 ILE 39 -4.120 5.882 2.164 320 HD13 ILE 39 3HD1 ILE 39 -4.932 5.629 3.714 321 H VAL 40 H VAL 40 -7.233 1.249 -0.547 322 HA VAL 40 HA VAL 40 -7.048 -1.120 1.211 323 HB VAL 40 HB VAL 40 -8.002 -1.087 -1.693 324 HG11 VAL 40 1HG1 VAL 40 -8.279 -3.197 0.479 325 HG12 VAL 40 2HG1 VAL 40 -7.203 -3.270 -0.918 326 HG13 VAL 40 3HG1 VAL 40 -8.950 -3.302 -1.150 327 HG21 VAL 40 1HG2 VAL 40 -9.740 -1.006 0.799 328 HG22 VAL 40 2HG2 VAL 40 -10.313 -1.190 -0.862 329 HG23 VAL 40 3HG2 VAL 40 -9.525 0.307 -0.363 330 H VAL 41 H VAL 41 -4.946 -1.617 1.358 331 HA VAL 41 HA VAL 41 -3.126 -1.429 -0.939 332 HB VAL 41 HB VAL 41 -2.605 -2.195 1.981 333 HG11 VAL 41 1HG1 VAL 41 -0.214 -1.847 1.479 334 HG12 VAL 41 2HG1 VAL 41 -0.602 -1.576 -0.221 335 HG13 VAL 41 3HG1 VAL 41 -0.894 -3.156 0.510 336 HG21 VAL 41 1HG2 VAL 41 -1.652 0.080 2.198 337 HG22 VAL 41 2HG2 VAL 41 -3.366 0.118 1.795 338 HG23 VAL 41 3HG2 VAL 41 -2.159 0.450 0.549 339 H GLU 42 H GLU 42 -3.131 -3.143 -2.268 340 HA GLU 42 HA GLU 42 -3.669 -5.834 -1.179 341 HB2 GLU 42 2HB GLU 42 -5.558 -4.984 -2.503 342 HB3 GLU 42 3HB GLU 42 -4.500 -4.717 -3.886 343 HG2 GLU 42 2HG GLU 42 -4.125 -7.088 -4.144 344 HG3 GLU 42 3HG GLU 42 -4.971 -7.449 -2.642 345 H VAL 43 H VAL 43 -1.872 -6.965 -1.169 346 HA VAL 43 HA VAL 43 0.350 -6.375 -3.022 347 HB VAL 43 HB VAL 43 0.331 -8.105 -0.492 348 HG11 VAL 43 1HG1 VAL 43 2.780 -7.785 -0.489 349 HG12 VAL 43 2HG1 VAL 43 2.669 -6.925 -2.028 350 HG13 VAL 43 3HG1 VAL 43 2.218 -8.630 -1.932 351 HG21 VAL 43 1HG2 VAL 43 1.297 -6.181 0.711 352 HG22 VAL 43 2HG2 VAL 43 -0.316 -5.816 0.095 353 HG23 VAL 43 3HG2 VAL 43 1.107 -5.176 -0.730 354 H HIS 44 H HIS 44 0.016 -7.552 -4.893 355 HA HIS 44 HA HIS 44 -0.917 -10.341 -4.859 356 HB2 HIS 44 2HB HIS 44 -0.151 -8.563 -7.235 357 HB3 HIS 44 3HB HIS 44 -0.902 -10.151 -7.342 358 HD1 HIS 44 HD1 HIS 44 -3.364 -10.109 -7.618 359 HD2 HIS 44 HD2 HIS 44 -1.958 -6.578 -5.955 360 HE1 HIS 44 HE1 HIS 44 -5.347 -8.584 -7.494 361 HE2 HIS 44 HE2 HIS 44 -4.492 -6.510 -6.391 362 H ILE 45 H ILE 45 0.757 -11.719 -4.243 363 HA ILE 45 HA ILE 45 3.234 -11.647 -5.875 364 HB ILE 45 HB ILE 45 3.093 -12.394 -2.913 365 HG12 ILE 45 2HG1 ILE 45 4.381 -10.016 -4.341 366 HG13 ILE 45 3HG1 ILE 45 3.032 -9.963 -3.214 367 HG21 ILE 45 1HG2 ILE 45 5.542 -12.739 -3.056 368 HG22 ILE 45 2HG2 ILE 45 5.492 -12.416 -4.789 369 HG23 ILE 45 3HG2 ILE 45 4.683 -13.840 -4.136 370 HD11 ILE 45 1HD1 ILE 45 5.877 -10.694 -2.541 371 HD12 ILE 45 2HD1 ILE 45 4.521 -10.679 -1.411 372 HD13 ILE 45 3HD1 ILE 45 5.050 -9.180 -2.170 373 H ASN 46 H ASN 46 3.309 -13.324 -7.154 374 HA ASN 46 HA ASN 46 3.281 -15.395 -8.042 375 HB2 ASN 46 2HB ASN 46 3.510 -16.257 -5.121 376 HB3 ASN 46 3HB ASN 46 3.828 -17.299 -6.504 377 HD21 ASN 46 1HD2 ASN 46 5.609 -16.402 -4.307 378 HD22 ASN 46 2HD2 ASN 46 6.964 -15.688 -5.086 379 H GLY 47 H GLY 47 0.742 -14.141 -7.481 380 HA2 GLY 47 2HA GLY 47 -1.329 -14.904 -8.358 381 HA3 GLY 47 3HA GLY 47 -1.008 -16.513 -7.725 382 H GLU 48 H GLU 48 -0.133 -15.057 -5.107 383 HA GLU 48 HA GLU 48 -2.754 -15.186 -3.856 384 HB2 GLU 48 2HB GLU 48 -0.010 -14.675 -2.620 385 HB3 GLU 48 3HB GLU 48 -1.502 -14.976 -1.731 386 HG2 GLU 48 2HG GLU 48 -1.602 -17.244 -2.839 387 HG3 GLU 48 3HG GLU 48 -0.001 -16.915 -3.501 388 H ARG 49 H ARG 49 -4.002 -13.408 -3.725 389 HA ARG 49 HA ARG 49 -2.806 -10.727 -3.617 390 HB2 ARG 49 2HB ARG 49 -5.134 -9.889 -3.966 391 HB3 ARG 49 3HB ARG 49 -4.597 -10.967 -5.244 392 HG2 ARG 49 2HG ARG 49 -5.901 -12.809 -3.986 393 HG3 ARG 49 3HG ARG 49 -6.634 -11.491 -3.073 394 HD2 ARG 49 2HD ARG 49 -6.776 -11.935 -6.078 395 HD3 ARG 49 3HD ARG 49 -8.099 -12.096 -4.919 396 HE ARG 49 HE ARG 49 -7.371 -9.538 -4.573 397 HH11 ARG 49 1HH1 ARG 49 -8.164 -11.311 -7.528 398 HH12 ARG 49 2HH1 ARG 49 -8.728 -9.892 -8.352 399 HH21 ARG 49 1HH2 ARG 49 -8.040 -7.696 -5.702 400 HH22 ARG 49 2HH2 ARG 49 -8.658 -7.848 -7.322 401 H ASP 50 H ASP 50 -2.223 -10.090 -1.699 402 HA ASP 50 HA ASP 50 -3.597 -10.716 0.801 403 HB2 ASP 50 2HB ASP 50 -1.155 -10.535 0.896 404 HB3 ASP 50 3HB ASP 50 -1.186 -8.986 0.073 405 H GLU 51 H GLU 51 -4.961 -9.220 1.869 406 HA GLU 51 HA GLU 51 -5.633 -6.726 0.402 407 HB2 GLU 51 2HB GLU 51 -7.220 -8.495 -0.234 408 HB3 GLU 51 3HB GLU 51 -7.580 -8.826 1.457 409 HG2 GLU 51 2HG GLU 51 -8.545 -6.546 1.682 410 HG3 GLU 51 3HG GLU 51 -8.209 -6.246 -0.025 411 H ILE 52 H ILE 52 -5.233 -5.103 1.739 412 HA ILE 52 HA ILE 52 -6.004 -5.241 4.610 413 HB ILE 52 HB ILE 52 -3.789 -3.415 3.525 414 HG12 ILE 52 2HG1 ILE 52 -3.232 -6.107 4.867 415 HG13 ILE 52 3HG1 ILE 52 -3.247 -5.904 3.121 416 HG21 ILE 52 1HG2 ILE 52 -4.437 -4.400 6.340 417 HG22 ILE 52 2HG2 ILE 52 -4.766 -2.789 5.697 418 HG23 ILE 52 3HG2 ILE 52 -3.101 -3.326 5.916 419 HD11 ILE 52 1HD1 ILE 52 -1.406 -4.451 5.013 420 HD12 ILE 52 2HD1 ILE 52 -1.414 -4.331 3.251 421 HD13 ILE 52 3HD1 ILE 52 -0.995 -5.856 4.029 422 H ARG 53 H ARG 53 -7.435 -3.630 5.218 423 HA ARG 53 HA ARG 53 -7.940 -1.336 3.396 424 HB2 ARG 53 2HB ARG 53 -9.993 -3.059 4.876 425 HB3 ARG 53 3HB ARG 53 -10.374 -1.513 4.125 426 HG2 ARG 53 2HG ARG 53 -9.681 -2.441 1.924 427 HG3 ARG 53 3HG ARG 53 -9.404 -4.001 2.695 428 HD2 ARG 53 2HD ARG 53 -11.747 -4.258 3.189 429 HD3 ARG 53 3HD ARG 53 -12.087 -2.587 2.729 430 HE ARG 53 HE ARG 53 -11.512 -3.212 0.412 431 HH11 ARG 53 1HH1 ARG 53 -12.456 -5.814 2.594 432 HH12 ARG 53 2HH1 ARG 53 -12.962 -6.858 1.304 433 HH21 ARG 53 1HH2 ARG 53 -12.165 -4.600 -1.264 434 HH22 ARG 53 2HH2 ARG 53 -12.797 -6.170 -0.876 435 H VAL 54 H VAL 54 -7.868 0.626 4.400 436 HA VAL 54 HA VAL 54 -8.275 0.822 7.307 437 HB VAL 54 HB VAL 54 -5.788 0.541 6.771 438 HG11 VAL 54 1HG1 VAL 54 -5.998 3.332 5.637 439 HG12 VAL 54 2HG1 VAL 54 -5.618 1.860 4.741 440 HG13 VAL 54 3HG1 VAL 54 -4.504 2.453 5.973 441 HG21 VAL 54 1HG2 VAL 54 -6.632 3.038 8.262 442 HG22 VAL 54 2HG2 VAL 54 -5.074 2.222 8.420 443 HG23 VAL 54 3HG2 VAL 54 -6.552 1.398 8.912 444 H ARG 55 H ARG 55 -9.195 2.720 7.977 445 HA ARG 55 HA ARG 55 -9.590 4.950 6.049 446 HB2 ARG 55 2HB ARG 55 -11.586 3.863 8.107 447 HB3 ARG 55 3HB ARG 55 -11.791 5.387 7.259 448 HG2 ARG 55 2HG ARG 55 -13.215 3.828 6.195 449 HG3 ARG 55 3HG ARG 55 -11.859 4.073 5.097 450 HD2 ARG 55 2HD ARG 55 -12.635 1.699 5.297 451 HD3 ARG 55 3HD ARG 55 -10.924 1.925 5.669 452 HE ARG 55 HE ARG 55 -12.380 2.079 8.058 453 HH11 ARG 55 1HH1 ARG 55 -11.597 -0.393 5.646 454 HH12 ARG 55 2HH1 ARG 55 -11.710 -1.698 6.788 455 HH21 ARG 55 1HH2 ARG 55 -12.494 0.350 9.536 456 HH22 ARG 55 2HH2 ARG 55 -12.217 -1.277 8.989 457 H ASN 56 H ASN 56 -9.089 6.942 6.857 458 HA ASN 56 HA ASN 56 -8.414 8.648 8.161 459 HB2 ASN 56 2HB ASN 56 -10.228 7.272 10.175 460 HB3 ASN 56 3HB ASN 56 -9.452 8.812 10.505 461 HD21 ASN 56 1HD2 ASN 56 -10.891 7.784 7.417 462 HD22 ASN 56 2HD2 ASN 56 -12.120 8.990 7.409 463 H ILE 57 H ILE 57 -6.244 8.142 8.120 464 HA ILE 57 HA ILE 57 -5.019 7.314 10.624 465 HB ILE 57 HB ILE 57 -3.357 5.832 9.065 466 HG12 ILE 57 2HG1 ILE 57 -4.655 4.393 7.499 467 HG13 ILE 57 3HG1 ILE 57 -6.077 5.398 7.725 468 HG21 ILE 57 1HG2 ILE 57 -4.476 3.822 9.894 469 HG22 ILE 57 2HG2 ILE 57 -5.925 4.756 10.269 470 HG23 ILE 57 3HG2 ILE 57 -4.420 5.075 11.137 471 HD11 ILE 57 1HD1 ILE 57 -3.491 6.325 6.482 472 HD12 ILE 57 2HD1 ILE 57 -5.020 7.205 6.533 473 HD13 ILE 57 3HD1 ILE 57 -4.884 5.718 5.590 474 H SER 58 H SER 58 -2.835 7.916 10.823 475 HA SER 58 HA SER 58 -2.036 10.208 9.160 476 HB2 SER 58 2HB SER 58 -1.003 9.289 11.887 477 HB3 SER 58 3HB SER 58 -0.621 10.818 11.079 478 HG SER 58 HG SER 58 -3.319 10.223 11.448 479 H LYS 59 H LYS 59 0.598 10.345 9.358 480 HA LYS 59 HA LYS 59 1.402 8.828 7.198 481 HB2 LYS 59 2HB LYS 59 3.686 9.767 7.626 482 HB3 LYS 59 3HB LYS 59 2.401 10.968 7.666 483 HG2 LYS 59 2HG LYS 59 2.417 10.842 10.165 484 HG3 LYS 59 3HG LYS 59 3.811 9.760 10.064 485 HD2 LYS 59 2HD LYS 59 5.081 11.578 8.883 486 HD3 LYS 59 3HD LYS 59 3.692 12.651 9.095 487 HE2 LYS 59 2HE LYS 59 3.896 12.366 11.557 488 HE3 LYS 59 3HE LYS 59 5.337 11.378 11.302 489 HZ1 LYS 59 1HZ LYS 59 6.385 13.323 10.228 490 HZ2 LYS 59 2HZ LYS 59 5.952 13.629 11.835 491 HZ3 LYS 59 3HZ LYS 59 5.007 14.248 10.576 492 H GLU 60 H GLU 60 2.331 8.241 10.633 493 HA GLU 60 HA GLU 60 4.123 6.078 9.964 494 HB2 GLU 60 2HB GLU 60 4.448 5.765 12.345 495 HB3 GLU 60 3HB GLU 60 4.477 7.475 11.981 496 HG2 GLU 60 2HG GLU 60 2.050 6.061 13.108 497 HG3 GLU 60 3HG GLU 60 3.278 6.823 14.106 498 H GLU 61 H GLU 61 0.779 6.318 10.885 499 HA GLU 61 HA GLU 61 0.258 3.570 11.424 500 HB2 GLU 61 2HB GLU 61 -1.619 5.790 10.522 501 HB3 GLU 61 3HB GLU 61 -2.135 4.221 11.135 502 HG2 GLU 61 2HG GLU 61 -1.125 4.719 13.317 503 HG3 GLU 61 3HG GLU 61 -0.555 6.275 12.710 504 H LEU 62 H LEU 62 -0.277 5.570 8.482 505 HA LEU 62 HA LEU 62 -1.055 3.335 6.864 506 HB2 LEU 62 2HB LEU 62 -0.922 4.910 4.941 507 HB3 LEU 62 3HB LEU 62 -1.924 5.476 6.257 508 HG LEU 62 HG LEU 62 0.159 6.909 6.945 509 HD11 LEU 62 1HD1 LEU 62 0.920 6.313 4.077 510 HD12 LEU 62 2HD1 LEU 62 1.857 5.970 5.529 511 HD13 LEU 62 3HD1 LEU 62 1.582 7.639 5.040 512 HD21 LEU 62 1HD2 LEU 62 -1.463 7.629 4.482 513 HD22 LEU 62 2HD2 LEU 62 -0.540 8.765 5.470 514 HD23 LEU 62 3HD2 LEU 62 -1.915 7.913 6.166 515 H LYS 63 H LYS 63 2.010 4.700 7.768 516 HA LYS 63 HA LYS 63 3.623 3.468 5.795 517 HB2 LYS 63 2HB LYS 63 4.201 4.501 8.570 518 HB3 LYS 63 3HB LYS 63 5.405 3.481 7.789 519 HG2 LYS 63 2HG LYS 63 5.492 5.058 5.875 520 HG3 LYS 63 3HG LYS 63 4.307 6.087 6.686 521 HD2 LYS 63 2HD LYS 63 6.590 6.948 7.015 522 HD3 LYS 63 3HD LYS 63 5.866 6.458 8.548 523 HE2 LYS 63 2HE LYS 63 8.242 5.769 8.346 524 HE3 LYS 63 3HE LYS 63 7.157 4.386 8.536 525 HZ1 LYS 63 1HZ LYS 63 7.250 4.114 6.086 526 HZ2 LYS 63 2HZ LYS 63 8.749 3.913 6.826 527 HZ3 LYS 63 3HZ LYS 63 8.399 5.345 6.012 528 H LYS 64 H LYS 64 2.018 2.161 8.662 529 HA LYS 64 HA LYS 64 3.452 -0.254 8.863 530 HB2 LYS 64 2HB LYS 64 0.558 0.382 9.547 531 HB3 LYS 64 3HB LYS 64 1.324 -1.151 9.937 532 HG2 LYS 64 2HG LYS 64 2.192 1.563 10.980 533 HG3 LYS 64 3HG LYS 64 1.231 0.381 11.864 534 HD2 LYS 64 2HD LYS 64 3.282 -0.183 12.734 535 HD3 LYS 64 3HD LYS 64 3.362 -1.183 11.290 536 HE2 LYS 64 2HE LYS 64 5.465 0.039 11.734 537 HE3 LYS 64 3HE LYS 64 4.761 0.452 10.174 538 HZ1 LYS 64 1HZ LYS 64 5.590 2.401 11.309 539 HZ2 LYS 64 2HZ LYS 64 4.602 2.091 12.649 540 HZ3 LYS 64 3HZ LYS 64 3.907 2.494 11.164 541 H LEU 65 H LEU 65 1.058 0.839 6.558 542 HA LEU 65 HA LEU 65 0.166 -1.671 5.531 543 HB2 LEU 65 2HB LEU 65 0.419 1.048 4.154 544 HB3 LEU 65 3HB LEU 65 -0.537 -0.283 3.545 545 HG LEU 65 HG LEU 65 -1.098 1.135 6.177 546 HD11 LEU 65 1HD1 LEU 65 -2.886 2.335 5.057 547 HD12 LEU 65 2HD1 LEU 65 -2.507 1.560 3.520 548 HD13 LEU 65 3HD1 LEU 65 -1.357 2.679 4.254 549 HD21 LEU 65 1HD2 LEU 65 -3.285 0.018 6.054 550 HD22 LEU 65 2HD2 LEU 65 -1.964 -1.148 6.106 551 HD23 LEU 65 3HD2 LEU 65 -2.783 -0.812 4.577 552 H LEU 66 H LEU 66 2.754 0.553 4.542 553 HA LEU 66 HA LEU 66 3.678 -1.145 2.385 554 HB2 LEU 66 2HB LEU 66 5.378 0.672 2.038 555 HB3 LEU 66 3HB LEU 66 3.706 1.175 1.943 556 HG LEU 66 HG LEU 66 4.119 1.867 4.506 557 HD11 LEU 66 1HD1 LEU 66 6.415 1.065 4.681 558 HD12 LEU 66 2HD1 LEU 66 6.332 2.808 4.918 559 HD13 LEU 66 3HD1 LEU 66 6.917 2.153 3.384 560 HD21 LEU 66 1HD2 LEU 66 5.008 3.589 2.183 561 HD22 LEU 66 2HD2 LEU 66 4.573 4.158 3.798 562 HD23 LEU 66 3HD2 LEU 66 3.357 3.395 2.779 563 H GLU 67 H GLU 67 4.493 -0.663 5.721 564 HA GLU 67 HA GLU 67 7.042 -2.039 5.622 565 HB2 GLU 67 2HB GLU 67 5.252 -1.296 7.988 566 HB3 GLU 67 3HB GLU 67 6.845 -2.040 8.151 567 HG2 GLU 67 2HG GLU 67 7.865 -0.102 6.993 568 HG3 GLU 67 3HG GLU 67 6.277 0.627 6.830 569 H ARG 68 H ARG 68 3.675 -2.969 5.906 570 HA ARG 68 HA ARG 68 4.118 -5.734 6.498 571 HB2 ARG 68 2HB ARG 68 1.781 -4.303 5.147 572 HB3 ARG 68 3HB ARG 68 1.809 -6.047 5.378 573 HG2 ARG 68 2HG ARG 68 2.075 -5.601 7.858 574 HG3 ARG 68 3HG ARG 68 1.764 -3.914 7.525 575 HD2 ARG 68 2HD ARG 68 -0.458 -4.412 6.729 576 HD3 ARG 68 3HD ARG 68 -0.146 -6.151 6.787 577 HE ARG 68 HE ARG 68 -0.069 -4.544 9.258 578 HH11 ARG 68 1HH1 ARG 68 -1.590 -7.139 7.410 579 HH12 ARG 68 2HH1 ARG 68 -2.516 -7.708 8.765 580 HH21 ARG 68 1HH2 ARG 68 -1.290 -5.311 11.006 581 HH22 ARG 68 2HH2 ARG 68 -2.345 -6.674 10.794 582 H ILE 69 H ILE 69 3.820 -3.859 3.466 583 HA ILE 69 HA ILE 69 4.022 -5.943 1.589 584 HB ILE 69 HB ILE 69 5.119 -3.104 1.222 585 HG12 ILE 69 2HG1 ILE 69 2.313 -4.156 0.640 586 HG13 ILE 69 3HG1 ILE 69 2.747 -3.054 1.936 587 HG21 ILE 69 1HG2 ILE 69 4.238 -5.134 -0.873 588 HG22 ILE 69 2HG2 ILE 69 5.899 -4.643 -0.539 589 HG23 ILE 69 3HG2 ILE 69 4.755 -3.478 -1.204 590 HD11 ILE 69 1HD1 ILE 69 3.411 -1.380 0.264 591 HD12 ILE 69 2HD1 ILE 69 1.719 -1.850 0.139 592 HD13 ILE 69 3HD1 ILE 69 2.890 -2.479 -1.017 593 H ARG 70 H ARG 70 6.504 -4.044 3.253 594 HA ARG 70 HA ARG 70 8.871 -4.841 2.081 595 HB2 ARG 70 2HB ARG 70 8.732 -3.143 3.840 596 HB3 ARG 70 3HB ARG 70 8.299 -4.358 5.031 597 HG2 ARG 70 2HG ARG 70 10.567 -5.420 4.635 598 HG3 ARG 70 3HG ARG 70 10.972 -4.030 3.627 599 HD2 ARG 70 2HD ARG 70 10.261 -3.970 6.575 600 HD3 ARG 70 3HD ARG 70 11.874 -3.758 5.885 601 HE ARG 70 HE ARG 70 10.753 -1.751 4.703 602 HH11 ARG 70 1HH1 ARG 70 10.026 -2.772 8.016 603 HH12 ARG 70 2HH1 ARG 70 9.585 -1.167 8.522 604 HH21 ARG 70 1HH2 ARG 70 10.196 0.321 5.405 605 HH22 ARG 70 2HH2 ARG 70 9.686 0.566 7.047 606 H GLU 71 H GLU 71 7.168 -6.412 4.788 607 HA GLU 71 HA GLU 71 8.895 -8.601 5.151 608 HB2 GLU 71 2HB GLU 71 5.905 -8.371 5.693 609 HB3 GLU 71 3HB GLU 71 6.922 -9.681 6.282 610 HG2 GLU 71 2HG GLU 71 7.273 -6.758 6.988 611 HG3 GLU 71 3HG GLU 71 6.450 -7.948 7.989 612 H LYS 72 H LYS 72 6.184 -8.072 2.914 613 HA LYS 72 HA LYS 72 5.847 -10.844 2.240 614 HB2 LYS 72 2HB LYS 72 4.923 -8.448 0.581 615 HB3 LYS 72 3HB LYS 72 4.289 -10.087 0.515 616 HG2 LYS 72 2HG LYS 72 3.944 -8.058 2.727 617 HG3 LYS 72 3HG LYS 72 2.693 -8.725 1.683 618 HD2 LYS 72 2HD LYS 72 2.979 -10.940 2.754 619 HD3 LYS 72 3HD LYS 72 4.273 -10.290 3.769 620 HE2 LYS 72 2HE LYS 72 2.225 -10.403 5.067 621 HE3 LYS 72 3HE LYS 72 2.623 -8.708 4.787 622 HZ1 LYS 72 1HZ LYS 72 0.664 -10.251 3.173 623 HZ2 LYS 72 2HZ LYS 72 0.953 -8.586 3.098 624 HZ3 LYS 72 3HZ LYS 72 0.251 -9.262 4.476 625 H ILE 73 H ILE 73 7.481 -8.086 0.674 626 HA ILE 73 HA ILE 73 8.108 -9.525 -1.735 627 HB ILE 73 HB ILE 73 9.253 -7.460 -2.480 628 HG12 ILE 73 2HG1 ILE 73 8.653 -6.335 0.313 629 HG13 ILE 73 3HG1 ILE 73 10.249 -6.723 -0.318 630 HG21 ILE 73 1HG2 ILE 73 6.572 -6.874 -1.167 631 HG22 ILE 73 2HG2 ILE 73 6.805 -7.645 -2.738 632 HG23 ILE 73 3HG2 ILE 73 7.295 -5.968 -2.500 633 HD11 ILE 73 1HD1 ILE 73 8.421 -4.584 -1.415 634 HD12 ILE 73 2HD1 ILE 73 10.056 -4.956 -1.971 635 HD13 ILE 73 3HD1 ILE 73 9.798 -4.334 -0.344 636 H GLU 74 H GLU 74 9.915 -8.668 1.203 637 HA GLU 74 HA GLU 74 12.487 -9.487 0.107 638 HB2 GLU 74 2HB GLU 74 11.721 -8.676 2.939 639 HB3 GLU 74 3HB GLU 74 13.361 -9.001 2.394 640 HG2 GLU 74 2HG GLU 74 13.148 -7.098 0.779 641 HG3 GLU 74 3HG GLU 74 11.571 -6.729 1.476 642 H ARG 75 H ARG 75 10.137 -10.764 2.499 643 HA ARG 75 HA ARG 75 11.792 -13.051 3.166 644 HB2 ARG 75 2HB ARG 75 8.889 -12.475 3.889 645 HB3 ARG 75 3HB ARG 75 9.875 -13.767 4.569 646 HG2 ARG 75 2HG ARG 75 11.359 -12.166 5.635 647 HG3 ARG 75 3HG ARG 75 10.551 -10.818 4.828 648 HD2 ARG 75 2HD ARG 75 9.827 -10.967 7.149 649 HD3 ARG 75 3HD ARG 75 8.477 -11.320 6.074 650 HE ARG 75 HE ARG 75 9.565 -13.773 6.688 651 HH11 ARG 75 1HH1 ARG 75 8.194 -11.136 8.586 652 HH12 ARG 75 2HH1 ARG 75 7.622 -12.182 9.847 653 HH21 ARG 75 1HH2 ARG 75 8.776 -15.141 8.329 654 HH22 ARG 75 2HH2 ARG 75 7.954 -14.465 9.703 655 H GLU 76 H GLU 76 9.287 -12.420 0.774 656 HA GLU 76 HA GLU 76 9.140 -15.185 -0.083 657 HB2 GLU 76 2HB GLU 76 7.370 -13.501 -0.651 658 HB3 GLU 76 3HB GLU 76 8.531 -12.635 -1.649 659 HG2 GLU 76 2HG GLU 76 7.118 -13.956 -3.079 660 HG3 GLU 76 3HG GLU 76 8.733 -14.655 -3.100 661 H GLY 77 H GLY 77 10.977 -12.278 -0.991 662 HA2 GLY 77 2HA GLY 77 13.107 -12.136 -1.922 663 HA3 GLY 77 3HA GLY 77 13.086 -13.861 -2.268 664 H SER 78 H SER 78 10.797 -14.164 -3.731 665 HA SER 78 HA SER 78 11.345 -13.403 -6.345 666 HB2 SER 78 2HB SER 78 9.829 -15.274 -5.751 667 HB3 SER 78 3HB SER 78 8.654 -14.137 -5.095 668 HG SER 78 HG SER 78 7.935 -14.525 -7.107 669 H SER 79 H SER 79 11.088 -11.556 -7.437 670 HA SER 79 HA SER 79 9.923 -9.198 -6.190 671 HB2 SER 79 2HB SER 79 10.930 -7.994 -8.084 672 HB3 SER 79 3HB SER 79 12.114 -9.095 -7.385 673 HG SER 79 HG SER 79 11.071 -9.032 -9.893 674 H GLU 80 H GLU 80 8.436 -11.639 -7.585 675 HA GLU 80 HA GLU 80 6.757 -10.421 -9.553 676 HB2 GLU 80 2HB GLU 80 7.289 -12.969 -9.202 677 HB3 GLU 80 3HB GLU 80 6.094 -12.908 -7.921 678 HG2 GLU 80 2HG GLU 80 5.086 -13.764 -9.960 679 HG3 GLU 80 3HG GLU 80 4.369 -12.211 -9.537 680 H VAL 81 H VAL 81 6.172 -8.471 -8.367 681 HA VAL 81 HA VAL 81 3.976 -8.829 -6.452 682 HB VAL 81 HB VAL 81 5.833 -8.533 -4.962 683 HG11 VAL 81 1HG1 VAL 81 7.483 -7.558 -6.489 684 HG12 VAL 81 2HG1 VAL 81 7.381 -6.633 -4.990 685 HG13 VAL 81 3HG1 VAL 81 6.622 -6.018 -6.460 686 HG21 VAL 81 1HG2 VAL 81 4.292 -5.912 -5.165 687 HG22 VAL 81 2HG2 VAL 81 5.170 -6.475 -3.741 688 HG23 VAL 81 3HG2 VAL 81 3.765 -7.370 -4.320 689 H GLU 82 H GLU 82 2.337 -7.835 -7.177 690 HA GLU 82 HA GLU 82 2.444 -5.226 -8.591 691 HB2 GLU 82 2HB GLU 82 1.518 -7.146 -9.923 692 HB3 GLU 82 3HB GLU 82 0.346 -7.461 -8.648 693 HG2 GLU 82 2HG GLU 82 -0.560 -5.113 -9.067 694 HG3 GLU 82 3HG GLU 82 0.471 -5.065 -10.497 695 H VAL 83 H VAL 83 1.974 -3.676 -7.021 696 HA VAL 83 HA VAL 83 0.129 -4.365 -4.821 697 HB VAL 83 HB VAL 83 1.841 -1.831 -5.066 698 HG11 VAL 83 1HG1 VAL 83 1.342 -1.607 -2.628 699 HG12 VAL 83 2HG1 VAL 83 0.282 -3.015 -2.724 700 HG13 VAL 83 3HG1 VAL 83 -0.118 -1.546 -3.617 701 HG21 VAL 83 1HG2 VAL 83 3.383 -2.876 -3.443 702 HG22 VAL 83 2HG2 VAL 83 3.295 -3.827 -4.927 703 HG23 VAL 83 3HG2 VAL 83 2.437 -4.369 -3.483 704 H ASN 84 H ASN 84 -1.919 -3.924 -5.187 705 HA ASN 84 HA ASN 84 -2.794 -1.738 -6.963 706 HB2 ASN 84 2HB ASN 84 -4.254 -4.139 -5.747 707 HB3 ASN 84 3HB ASN 84 -5.068 -2.876 -6.656 708 HD21 ASN 84 1HD2 ASN 84 -1.907 -4.254 -7.540 709 HD22 ASN 84 2HD2 ASN 84 -2.487 -5.034 -8.964 710 H VAL 85 H VAL 85 -2.893 0.121 -5.799 711 HA VAL 85 HA VAL 85 -4.048 0.166 -3.090 712 HB VAL 85 HB VAL 85 -2.894 2.480 -4.738 713 HG11 VAL 85 1HG1 VAL 85 -2.824 3.715 -2.590 714 HG12 VAL 85 2HG1 VAL 85 -3.616 2.361 -1.780 715 HG13 VAL 85 3HG1 VAL 85 -4.473 3.266 -3.030 716 HG21 VAL 85 1HG2 VAL 85 -1.155 0.800 -4.254 717 HG22 VAL 85 2HG2 VAL 85 -1.540 0.873 -2.533 718 HG23 VAL 85 3HG2 VAL 85 -0.866 2.288 -3.347 719 H HIS 86 H HIS 86 -6.240 0.125 -3.106 720 HA HIS 86 HA HIS 86 -7.781 1.431 -5.277 721 HB2 HIS 86 2HB HIS 86 -8.947 -0.440 -3.166 722 HB3 HIS 86 3HB HIS 86 -9.627 -0.013 -4.727 723 HD1 HIS 86 HD1 HIS 86 -9.009 -1.502 -6.705 724 HD2 HIS 86 HD2 HIS 86 -6.888 -2.430 -3.249 725 HE1 HIS 86 HE1 HIS 86 -7.947 -3.739 -7.131 726 HE2 HIS 86 HE2 HIS 86 -6.904 -4.370 -4.944 727 H SER 87 H SER 87 -8.489 3.467 -4.711 728 HA SER 87 HA SER 87 -9.575 3.934 -2.020 729 HB2 SER 87 2HB SER 87 -7.131 4.638 -2.037 730 HB3 SER 87 3HB SER 87 -7.545 5.852 -3.250 731 HG SER 87 HG SER 87 -8.658 5.627 -0.646 732 H GLY 88 H GLY 88 -11.560 4.608 -2.351 733 HA2 GLY 88 2HA GLY 88 -13.441 5.563 -3.267 734 HA3 GLY 88 3HA GLY 88 -12.387 6.698 -4.098 735 H GLY 89 H GLY 89 -11.972 3.268 -4.544 736 HA2 GLY 89 2HA GLY 89 -12.671 1.816 -6.246 737 HA3 GLY 89 3HA GLY 89 -13.453 3.152 -7.075 738 H GLN 90 H GLN 90 -10.580 4.459 -6.434 739 HA GLN 90 HA GLN 90 -9.583 3.982 -9.131 740 HB2 GLN 90 2HB GLN 90 -8.584 5.832 -6.915 741 HB3 GLN 90 3HB GLN 90 -8.016 5.840 -8.581 742 HG2 GLN 90 2HG GLN 90 -10.158 6.622 -9.377 743 HG3 GLN 90 3HG GLN 90 -10.881 6.425 -7.782 744 HE21 GLN 90 1HE2 GLN 90 -8.659 7.557 -6.292 745 HE22 GLN 90 2HE2 GLN 90 -8.668 9.255 -6.603 746 H THR 91 H THR 91 -8.009 2.532 -9.577 747 HA THR 91 HA THR 91 -6.434 1.310 -7.388 748 HB THR 91 HB THR 91 -7.233 0.142 -10.096 749 HG1 THR 91 HG1 THR 91 -8.960 0.321 -8.588 750 HG21 THR 91 1HG2 THR 91 -6.372 -2.002 -9.215 751 HG22 THR 91 2HG2 THR 91 -5.820 -1.193 -7.747 752 HG23 THR 91 3HG2 THR 91 -5.081 -0.801 -9.303 753 H TRP 92 H TRP 92 -4.298 1.682 -7.411 754 HA TRP 92 HA TRP 92 -2.917 2.448 -9.929 755 HB2 TRP 92 2HB TRP 92 -2.205 3.225 -7.056 756 HB3 TRP 92 3HB TRP 92 -1.338 3.725 -8.507 757 HD1 TRP 92 HD1 TRP 92 -2.792 5.401 -10.236 758 HE1 TRP 92 HE1 TRP 92 -4.519 7.221 -9.666 759 HE3 TRP 92 HE3 TRP 92 -4.022 3.942 -5.482 760 HZ2 TRP 92 HZ2 TRP 92 -6.164 7.953 -7.511 761 HZ3 TRP 92 HZ3 TRP 92 -5.688 5.255 -4.239 762 HH2 TRP 92 HH2 TRP 92 -6.740 7.222 -5.233 763 H THR 93 H THR 93 -1.618 0.879 -10.644 764 HA THR 93 HA THR 93 -0.900 -1.376 -8.886 765 HB THR 93 HB THR 93 -0.511 -2.598 -11.089 766 HG1 THR 93 HG1 THR 93 -0.194 -0.809 -12.451 767 HG21 THR 93 1HG2 THR 93 -2.901 -2.884 -11.633 768 HG22 THR 93 2HG2 THR 93 -3.296 -1.420 -10.729 769 HG23 THR 93 3HG2 THR 93 -2.664 -2.835 -9.884 770 H PHE 94 H PHE 94 1.064 -1.057 -7.962 771 HA PHE 94 HA PHE 94 3.356 0.041 -9.426 772 HB2 PHE 94 2HB PHE 94 3.072 -0.859 -6.516 773 HB3 PHE 94 3HB PHE 94 4.501 -0.090 -7.202 774 HD1 PHE 94 HD1 PHE 94 1.015 0.460 -6.081 775 HD2 PHE 94 HD2 PHE 94 4.519 2.309 -7.699 776 HE1 PHE 94 HE1 PHE 94 0.093 2.686 -5.564 777 HE2 PHE 94 HE2 PHE 94 3.586 4.521 -7.180 778 HZ PHE 94 HZ PHE 94 1.378 4.714 -6.114 779 H ASN 95 H ASN 95 4.617 -1.316 -10.563 780 HA ASN 95 HA ASN 95 4.904 -4.164 -9.755 781 HB2 ASN 95 2HB ASN 95 4.408 -3.009 -12.539 782 HB3 ASN 95 3HB ASN 95 5.019 -4.638 -12.286 783 HD21 ASN 95 1HD2 ASN 95 2.273 -2.510 -11.660 784 HD22 ASN 95 2HD2 ASN 95 1.108 -3.780 -11.546 785 H GLU 96 H GLU 96 6.992 -4.313 -9.091 786 HA GLU 96 HA GLU 96 9.146 -3.258 -10.808 787 HB2 GLU 96 2HB GLU 96 10.690 -4.192 -9.027 788 HB3 GLU 96 3HB GLU 96 9.620 -2.913 -8.467 789 HG2 GLU 96 2HG GLU 96 8.215 -4.472 -7.306 790 HG3 GLU 96 3HG GLU 96 9.018 -5.850 -8.055 791 H LYS 97 H LYS 97 9.335 -4.476 -12.574 792 HA LYS 97 HA LYS 97 8.733 -7.302 -12.632 793 HB2 LYS 97 2HB LYS 97 8.246 -5.597 -14.484 794 HB3 LYS 97 3HB LYS 97 9.960 -5.593 -14.849 795 HG2 LYS 97 2HG LYS 97 8.280 -8.114 -14.968 796 HG3 LYS 97 3HG LYS 97 8.392 -7.006 -16.324 797 HD2 LYS 97 2HD LYS 97 10.742 -8.477 -15.083 798 HD3 LYS 97 3HD LYS 97 9.878 -8.992 -16.528 799 HE2 LYS 97 2HE LYS 97 11.799 -7.919 -17.368 800 HE3 LYS 97 3HE LYS 97 10.549 -6.688 -17.523 801 HZ1 LYS 97 1HZ LYS 97 11.377 -5.636 -15.516 802 HZ2 LYS 97 2HZ LYS 97 12.637 -5.812 -16.628 803 HZ3 LYS 97 3HZ LYS 97 12.524 -6.860 -15.306 Start of MODEL 3 1 H1 MET 1 1H MET 1 -14.363 28.190 4.611 2 H2 MET 1 2H MET 1 -13.323 27.345 5.646 3 H3 MET 1 3H MET 1 -14.486 26.511 4.747 4 HA MET 1 HA MET 1 -13.416 27.100 2.696 5 HB2 MET 1 2HB MET 1 -11.224 28.302 4.452 6 HB3 MET 1 3HB MET 1 -11.223 28.219 2.694 7 HG2 MET 1 2HG MET 1 -13.124 29.856 4.385 8 HG3 MET 1 3HG MET 1 -11.741 30.478 3.483 9 HE1 MET 1 1HE MET 1 -13.345 32.294 2.320 10 HE2 MET 1 2HE MET 1 -14.734 31.664 3.209 11 HE3 MET 1 3HE MET 1 -14.826 31.875 1.460 12 H GLY 2 H GLY 2 -12.530 25.231 1.930 13 HA2 GLY 2 2HA GLY 2 -10.923 23.514 3.749 14 HA3 GLY 2 3HA GLY 2 -12.283 22.882 2.834 15 H HIS 3 H HIS 3 -9.658 25.107 1.899 16 HA HIS 3 HA HIS 3 -9.037 23.720 -0.521 17 HB2 HIS 3 2HB HIS 3 -7.400 25.768 1.040 18 HB3 HIS 3 3HB HIS 3 -6.994 25.188 -0.573 19 HD1 HIS 3 HD1 HIS 3 -8.423 28.034 0.909 20 HD2 HIS 3 HD2 HIS 3 -9.477 25.686 -2.358 21 HE1 HIS 3 HE1 HIS 3 -9.945 29.465 -0.487 22 HE2 HIS 3 HE2 HIS 3 -10.696 27.969 -2.367 23 H HIS 4 H HIS 4 -8.088 21.803 -0.643 24 HA HIS 4 HA HIS 4 -7.178 20.303 1.538 25 HB2 HIS 4 2HB HIS 4 -6.893 19.843 -1.458 26 HB3 HIS 4 3HB HIS 4 -6.340 18.671 -0.270 27 HD1 HIS 4 HD1 HIS 4 -7.951 16.802 -0.292 28 HD2 HIS 4 HD2 HIS 4 -9.904 20.463 -0.528 29 HE1 HIS 4 HE1 HIS 4 -10.400 16.255 -0.360 30 HE2 HIS 4 HE2 HIS 4 -11.556 18.487 -0.297 31 H HIS 5 H HIS 5 -5.555 21.495 2.607 32 HA HIS 5 HA HIS 5 -2.838 21.074 1.513 33 HB2 HIS 5 2HB HIS 5 -3.785 23.549 3.036 34 HB3 HIS 5 3HB HIS 5 -2.101 23.186 2.662 35 HD1 HIS 5 HD1 HIS 5 -5.124 24.729 1.267 36 HD2 HIS 5 HD2 HIS 5 -1.487 23.331 -0.186 37 HE1 HIS 5 HE1 HIS 5 -4.909 25.673 -1.054 38 HE2 HIS 5 HE2 HIS 5 -2.804 24.668 -1.974 39 H HIS 6 H HIS 6 -2.170 19.419 2.726 40 HA HIS 6 HA HIS 6 -2.260 19.681 5.676 41 HB2 HIS 6 2HB HIS 6 -2.783 17.144 4.071 42 HB3 HIS 6 3HB HIS 6 -2.442 17.151 5.797 43 HD1 HIS 6 HD1 HIS 6 -4.475 17.185 7.250 44 HD2 HIS 6 HD2 HIS 6 -5.275 18.724 3.473 45 HE1 HIS 6 HE1 HIS 6 -6.949 17.617 7.202 46 HE2 HIS 6 HE2 HIS 6 -7.426 18.326 4.843 47 H HIS 7 H HIS 7 -0.225 20.581 5.522 48 HA HIS 7 HA HIS 7 2.019 18.853 4.680 49 HB2 HIS 7 2HB HIS 7 1.840 21.843 5.239 50 HB3 HIS 7 3HB HIS 7 3.374 21.005 5.005 51 HD1 HIS 7 HD1 HIS 7 4.171 20.838 2.653 52 HD2 HIS 7 HD2 HIS 7 0.093 21.641 2.842 53 HE1 HIS 7 HE1 HIS 7 3.443 21.208 0.283 54 HE2 HIS 7 HE2 HIS 7 0.963 21.585 0.407 55 H HIS 8 H HIS 8 3.804 18.582 6.103 56 HA HIS 8 HA HIS 8 3.766 19.320 8.860 57 HB2 HIS 8 2HB HIS 8 1.956 17.520 8.784 58 HB3 HIS 8 3HB HIS 8 3.182 16.373 8.256 59 HD1 HIS 8 HD1 HIS 8 2.132 18.393 11.260 60 HD2 HIS 8 HD2 HIS 8 4.782 15.348 10.289 61 HE1 HIS 8 HE1 HIS 8 2.994 17.521 13.449 62 HE2 HIS 8 HE2 HIS 8 4.790 15.887 12.813 63 H GLU 9 H GLU 9 5.711 18.589 9.950 64 HA GLU 9 HA GLU 9 8.011 18.280 8.340 65 HB2 GLU 9 2HB GLU 9 9.203 17.886 10.537 66 HB3 GLU 9 3HB GLU 9 8.249 19.353 10.455 67 HG2 GLU 9 2HG GLU 9 7.766 18.617 12.584 68 HG3 GLU 9 3HG GLU 9 6.412 17.956 11.684 69 H ASN 10 H ASN 10 9.541 16.472 8.254 70 HA ASN 10 HA ASN 10 8.282 13.802 8.554 71 HB2 ASN 10 2HB ASN 10 9.710 14.912 6.104 72 HB3 ASN 10 3HB ASN 10 9.508 13.182 6.353 73 HD21 ASN 10 1HD2 ASN 10 7.843 16.193 5.732 74 HD22 ASN 10 2HD2 ASN 10 6.364 15.490 5.188 75 H LEU 11 H LEU 11 9.475 12.368 9.583 76 HA LEU 11 HA LEU 11 12.218 12.973 10.382 77 HB2 LEU 11 2HB LEU 11 10.371 10.675 11.176 78 HB3 LEU 11 3HB LEU 11 11.985 10.923 11.812 79 HG LEU 11 HG LEU 11 11.139 13.176 12.736 80 HD11 LEU 11 1HD1 LEU 11 9.100 13.389 11.388 81 HD12 LEU 11 2HD1 LEU 11 8.748 13.449 13.112 82 HD13 LEU 11 3HD1 LEU 11 8.409 11.979 12.194 83 HD21 LEU 11 1HD2 LEU 11 9.929 10.633 13.868 84 HD22 LEU 11 2HD2 LEU 11 10.161 12.150 14.744 85 HD23 LEU 11 3HD2 LEU 11 11.558 11.239 14.177 86 H TYR 12 H TYR 12 13.453 12.657 8.544 87 HA TYR 12 HA TYR 12 13.374 10.184 7.024 88 HB2 TYR 12 2HB TYR 12 15.337 12.521 6.952 89 HB3 TYR 12 3HB TYR 12 15.349 11.164 5.833 90 HD1 TYR 12 HD1 TYR 12 13.513 10.895 4.166 91 HD2 TYR 12 HD2 TYR 12 13.716 14.332 6.693 92 HE1 TYR 12 HE1 TYR 12 11.937 12.077 2.696 93 HE2 TYR 12 HE2 TYR 12 12.145 15.511 5.222 94 HH TYR 12 HH TYR 12 10.348 13.951 2.798 95 H PHE 13 H PHE 13 13.895 8.496 8.326 96 HA PHE 13 HA PHE 13 15.816 8.558 10.423 97 HB2 PHE 13 2HB PHE 13 13.734 6.965 9.992 98 HB3 PHE 13 3HB PHE 13 14.887 5.983 9.110 99 HD1 PHE 13 HD1 PHE 13 13.922 7.265 12.428 100 HD2 PHE 13 HD2 PHE 13 16.585 4.666 10.318 101 HE1 PHE 13 HE1 PHE 13 14.575 6.210 14.549 102 HE2 PHE 13 HE2 PHE 13 17.234 3.621 12.452 103 HZ PHE 13 HZ PHE 13 16.235 4.393 14.566 104 H GLN 14 H GLN 14 17.942 7.894 10.472 105 HA GLN 14 HA GLN 14 19.570 8.342 8.252 106 HB2 GLN 14 2HB GLN 14 20.206 8.605 10.668 107 HB3 GLN 14 3HB GLN 14 20.272 6.864 10.830 108 HG2 GLN 14 2HG GLN 14 22.079 8.417 8.958 109 HG3 GLN 14 3HG GLN 14 22.491 8.085 10.636 110 HE21 GLN 14 1HE2 GLN 14 22.798 5.841 11.250 111 HE22 GLN 14 2HE2 GLN 14 23.308 4.683 10.073 112 H SER 15 H SER 15 19.070 5.218 9.933 113 HA SER 15 HA SER 15 20.121 3.741 7.670 114 HB2 SER 15 2HB SER 15 19.570 1.736 9.177 115 HB3 SER 15 3HB SER 15 20.771 2.871 9.791 116 HG SER 15 HG SER 15 19.537 3.061 11.466 117 H HIS 16 H HIS 16 18.879 3.493 5.970 118 HA HIS 16 HA HIS 16 15.974 3.424 6.119 119 HB2 HIS 16 2HB HIS 16 17.894 3.461 3.760 120 HB3 HIS 16 3HB HIS 16 16.143 3.388 3.587 121 HD1 HIS 16 HD1 HIS 16 14.810 5.516 4.041 122 HD2 HIS 16 HD2 HIS 16 18.889 5.983 4.688 123 HE1 HIS 16 HE1 HIS 16 15.165 7.984 4.316 124 HE2 HIS 16 HE2 HIS 16 17.606 8.219 4.880 125 H MET 17 H MET 17 14.701 1.723 5.573 126 HA MET 17 HA MET 17 15.888 -0.911 5.075 127 HB2 MET 17 2HB MET 17 14.477 -1.887 6.910 128 HB3 MET 17 3HB MET 17 15.752 -0.834 7.490 129 HG2 MET 17 2HG MET 17 14.126 0.959 7.884 130 HG3 MET 17 3HG MET 17 12.830 -0.064 7.257 131 HE1 MET 17 1HE MET 17 12.898 -2.971 9.983 132 HE2 MET 17 2HE MET 17 14.045 -2.930 8.646 133 HE3 MET 17 3HE MET 17 12.351 -2.523 8.365 134 H THR 18 H THR 18 15.058 -0.554 2.999 135 HA THR 18 HA THR 18 13.720 -1.143 1.291 136 HB THR 18 HB THR 18 11.700 -2.143 3.348 137 HG1 THR 18 HG1 THR 18 12.849 -4.101 3.187 138 HG21 THR 18 1HG2 THR 18 12.191 -3.027 0.468 139 HG22 THR 18 2HG2 THR 18 10.786 -2.126 1.039 140 HG23 THR 18 3HG2 THR 18 11.055 -3.778 1.595 141 H ASP 19 H ASP 19 13.004 1.334 3.342 142 HA ASP 19 HA ASP 19 10.309 1.993 2.553 143 HB2 ASP 19 2HB ASP 19 10.537 3.940 4.010 144 HB3 ASP 19 3HB ASP 19 11.173 2.515 4.825 145 H GLU 20 H GLU 20 13.118 2.262 0.848 146 HA GLU 20 HA GLU 20 12.857 4.836 -0.383 147 HB2 GLU 20 2HB GLU 20 14.968 3.475 -0.413 148 HB3 GLU 20 3HB GLU 20 14.185 2.303 -1.466 149 HG2 GLU 20 2HG GLU 20 13.890 4.167 -3.162 150 HG3 GLU 20 3HG GLU 20 14.879 5.186 -2.120 151 H LEU 21 H LEU 21 12.022 1.526 -1.419 152 HA LEU 21 HA LEU 21 10.446 2.207 -3.698 153 HB2 LEU 21 2HB LEU 21 11.411 -0.041 -3.380 154 HB3 LEU 21 3HB LEU 21 10.462 -0.268 -1.920 155 HG LEU 21 HG LEU 21 8.369 -0.159 -3.371 156 HD11 LEU 21 1HD1 LEU 21 10.328 -0.384 -5.672 157 HD12 LEU 21 2HD1 LEU 21 9.275 0.986 -5.317 158 HD13 LEU 21 3HD1 LEU 21 8.573 -0.560 -5.780 159 HD21 LEU 21 1HD2 LEU 21 9.250 -2.276 -2.511 160 HD22 LEU 21 2HD2 LEU 21 10.298 -2.439 -3.923 161 HD23 LEU 21 3HD2 LEU 21 8.544 -2.496 -4.115 162 H LEU 22 H LEU 22 9.739 1.674 -0.309 163 HA LEU 22 HA LEU 22 6.902 1.609 -0.499 164 HB2 LEU 22 2HB LEU 22 8.729 2.071 1.881 165 HB3 LEU 22 3HB LEU 22 7.013 1.726 1.984 166 HG LEU 22 HG LEU 22 9.078 -0.203 0.830 167 HD11 LEU 22 1HD1 LEU 22 8.854 -1.475 2.925 168 HD12 LEU 22 2HD1 LEU 22 7.778 -0.243 3.586 169 HD13 LEU 22 3HD1 LEU 22 9.464 0.148 3.237 170 HD21 LEU 22 1HD2 LEU 22 6.839 -0.545 -0.105 171 HD22 LEU 22 2HD2 LEU 22 6.152 -0.651 1.516 172 HD23 LEU 22 3HD2 LEU 22 7.286 -1.881 0.957 173 H GLU 23 H GLU 23 9.261 4.216 -0.105 174 HA GLU 23 HA GLU 23 7.565 6.232 0.936 175 HB2 GLU 23 2HB GLU 23 10.121 6.293 0.750 176 HB3 GLU 23 3HB GLU 23 9.916 6.707 -0.946 177 HG2 GLU 23 2HG GLU 23 10.346 8.716 0.324 178 HG3 GLU 23 3HG GLU 23 8.689 8.756 -0.276 179 H ARG 24 H ARG 24 8.073 4.995 -2.295 180 HA ARG 24 HA ARG 24 6.751 6.988 -3.826 181 HB2 ARG 24 2HB ARG 24 6.726 4.020 -4.500 182 HB3 ARG 24 3HB ARG 24 6.697 5.376 -5.617 183 HG2 ARG 24 2HG ARG 24 9.050 4.430 -3.959 184 HG3 ARG 24 3HG ARG 24 8.849 4.269 -5.702 185 HD2 ARG 24 2HD ARG 24 9.002 6.707 -5.964 186 HD3 ARG 24 3HD ARG 24 9.139 6.899 -4.210 187 HE ARG 24 HE ARG 24 11.127 5.145 -5.270 188 HH11 ARG 24 1HH1 ARG 24 10.416 8.573 -4.799 189 HH12 ARG 24 2HH1 ARG 24 12.091 9.027 -4.809 190 HH21 ARG 24 1HH2 ARG 24 13.283 5.751 -5.286 191 HH22 ARG 24 2HH2 ARG 24 13.725 7.418 -5.086 192 H LEU 25 H LEU 25 5.676 4.096 -2.114 193 HA LEU 25 HA LEU 25 2.931 4.149 -2.994 194 HB2 LEU 25 2HB LEU 25 4.139 2.683 -0.611 195 HB3 LEU 25 3HB LEU 25 2.635 2.293 -1.422 196 HG LEU 25 HG LEU 25 5.413 1.995 -2.640 197 HD11 LEU 25 1HD1 LEU 25 5.085 -0.430 -2.416 198 HD12 LEU 25 2HD1 LEU 25 3.537 -0.160 -1.612 199 HD13 LEU 25 3HD1 LEU 25 5.033 0.367 -0.842 200 HD21 LEU 25 1HD2 LEU 25 2.717 1.177 -3.762 201 HD22 LEU 25 2HD2 LEU 25 4.287 0.795 -4.474 202 HD23 LEU 25 3HD2 LEU 25 3.757 2.472 -4.363 203 H ARG 26 H ARG 26 4.822 5.388 -0.326 204 HA ARG 26 HA ARG 26 2.788 5.961 1.533 205 HB2 ARG 26 2HB ARG 26 5.115 5.887 2.278 206 HB3 ARG 26 3HB ARG 26 5.550 7.227 1.224 207 HG2 ARG 26 2HG ARG 26 4.066 8.721 2.491 208 HG3 ARG 26 3HG ARG 26 3.592 7.387 3.528 209 HD2 ARG 26 2HD ARG 26 5.850 7.263 4.442 210 HD3 ARG 26 3HD ARG 26 6.378 8.550 3.341 211 HE ARG 26 HE ARG 26 4.218 8.950 5.331 212 HH11 ARG 26 1HH1 ARG 26 7.196 10.081 3.839 213 HH12 ARG 26 2HH1 ARG 26 7.196 11.579 4.723 214 HH21 ARG 26 1HH2 ARG 26 4.160 10.921 6.381 215 HH22 ARG 26 2HH2 ARG 26 5.458 12.060 6.176 216 H GLN 27 H GLN 27 4.380 8.026 -0.924 217 HA GLN 27 HA GLN 27 3.178 10.446 -0.137 218 HB2 GLN 27 2HB GLN 27 4.242 9.613 -2.859 219 HB3 GLN 27 3HB GLN 27 3.807 11.262 -2.429 220 HG2 GLN 27 2HG GLN 27 6.008 9.615 -1.152 221 HG3 GLN 27 3HG GLN 27 6.221 10.932 -2.302 222 HE21 GLN 27 1HE2 GLN 27 7.271 10.672 0.417 223 HE22 GLN 27 2HE2 GLN 27 6.677 12.030 1.303 224 H LEU 28 H LEU 28 2.045 7.924 -2.335 225 HA LEU 28 HA LEU 28 -0.352 9.205 -3.183 226 HB2 LEU 28 2HB LEU 28 0.582 7.209 -4.319 227 HB3 LEU 28 3HB LEU 28 0.268 6.240 -2.887 228 HG LEU 28 HG LEU 28 -2.170 6.557 -3.184 229 HD11 LEU 28 1HD1 LEU 28 -1.484 8.099 -5.707 230 HD12 LEU 28 2HD1 LEU 28 -2.241 8.745 -4.248 231 HD13 LEU 28 3HD1 LEU 28 -3.098 7.564 -5.231 232 HD21 LEU 28 1HD2 LEU 28 -1.102 4.604 -4.184 233 HD22 LEU 28 2HD2 LEU 28 -0.798 5.502 -5.674 234 HD23 LEU 28 3HD2 LEU 28 -2.454 5.154 -5.173 235 H PHE 29 H PHE 29 0.369 6.913 -0.511 236 HA PHE 29 HA PHE 29 -2.179 6.771 0.646 237 HB2 PHE 29 2HB PHE 29 0.531 6.557 2.023 238 HB3 PHE 29 3HB PHE 29 -0.996 6.120 2.778 239 HD1 PHE 29 HD1 PHE 29 -1.801 4.891 -0.216 240 HD2 PHE 29 HD2 PHE 29 1.229 4.232 2.738 241 HE1 PHE 29 HE1 PHE 29 -1.514 2.585 -0.998 242 HE2 PHE 29 HE2 PHE 29 1.495 1.917 1.934 243 HZ PHE 29 HZ PHE 29 0.125 1.095 0.065 244 H GLU 30 H GLU 30 0.291 9.260 0.917 245 HA GLU 30 HA GLU 30 -0.849 10.627 3.171 246 HB2 GLU 30 2HB GLU 30 1.176 11.552 1.068 247 HB3 GLU 30 3HB GLU 30 0.695 12.525 2.451 248 HG2 GLU 30 2HG GLU 30 2.052 9.831 2.647 249 HG3 GLU 30 3HG GLU 30 2.891 11.374 2.698 250 H GLU 31 H GLU 31 -0.921 11.055 -0.364 251 HA GLU 31 HA GLU 31 -2.535 13.349 -0.584 252 HB2 GLU 31 2HB GLU 31 -1.251 12.334 -2.455 253 HB3 GLU 31 3HB GLU 31 -2.323 10.938 -2.450 254 HG2 GLU 31 2HG GLU 31 -4.216 12.479 -3.052 255 HG3 GLU 31 3HG GLU 31 -3.048 13.789 -3.181 256 H LEU 32 H LEU 32 -3.352 10.010 0.029 257 HA LEU 32 HA LEU 32 -6.227 10.318 -0.331 258 HB2 LEU 32 2HB LEU 32 -4.609 7.983 0.780 259 HB3 LEU 32 3HB LEU 32 -6.295 7.925 0.288 260 HG LEU 32 HG LEU 32 -3.978 8.485 -1.597 261 HD11 LEU 32 1HD1 LEU 32 -3.782 6.210 -0.791 262 HD12 LEU 32 2HD1 LEU 32 -4.296 6.204 -2.476 263 HD13 LEU 32 3HD1 LEU 32 -5.468 5.879 -1.196 264 HD21 LEU 32 1HD2 LEU 32 -6.036 9.506 -2.382 265 HD22 LEU 32 2HD2 LEU 32 -6.897 7.976 -2.212 266 HD23 LEU 32 3HD2 LEU 32 -5.609 8.135 -3.408 267 H HIS 33 H HIS 33 -3.929 9.918 2.373 268 HA HIS 33 HA HIS 33 -5.874 9.578 4.427 269 HB2 HIS 33 2HB HIS 33 -4.070 9.047 5.720 270 HB3 HIS 33 3HB HIS 33 -3.102 9.231 4.278 271 HD1 HIS 33 HD1 HIS 33 -3.621 10.578 7.643 272 HD2 HIS 33 HD2 HIS 33 -1.695 11.797 4.182 273 HE1 HIS 33 HE1 HIS 33 -2.016 12.360 8.352 274 HE2 HIS 33 HE2 HIS 33 -0.701 12.900 6.281 275 H GLU 34 H GLU 34 -4.484 12.377 2.929 276 HA GLU 34 HA GLU 34 -4.971 14.241 5.036 277 HB2 GLU 34 2HB GLU 34 -4.297 15.952 3.466 278 HB3 GLU 34 3HB GLU 34 -3.221 14.578 3.328 279 HG2 GLU 34 2HG GLU 34 -3.481 15.184 1.124 280 HG3 GLU 34 3HG GLU 34 -4.715 13.942 1.276 281 H ARG 35 H ARG 35 -6.930 12.940 2.458 282 HA ARG 35 HA ARG 35 -9.083 14.904 3.011 283 HB2 ARG 35 2HB ARG 35 -10.171 14.048 0.964 284 HB3 ARG 35 3HB ARG 35 -8.550 14.642 0.647 285 HG2 ARG 35 2HG ARG 35 -7.801 12.186 0.790 286 HG3 ARG 35 3HG ARG 35 -9.516 11.787 0.704 287 HD2 ARG 35 2HD ARG 35 -7.844 13.227 -1.377 288 HD3 ARG 35 3HD ARG 35 -8.603 11.637 -1.514 289 HE ARG 35 HE ARG 35 -10.789 12.865 -1.357 290 HH11 ARG 35 1HH1 ARG 35 -7.927 14.453 -2.691 291 HH12 ARG 35 2HH1 ARG 35 -8.852 15.576 -3.639 292 HH21 ARG 35 1HH2 ARG 35 -11.976 14.426 -2.499 293 HH22 ARG 35 2HH2 ARG 35 -11.147 15.557 -3.526 294 H GLY 36 H GLY 36 -8.081 11.701 3.678 295 HA2 GLY 36 2HA GLY 36 -8.867 10.358 5.386 296 HA3 GLY 36 3HA GLY 36 -10.280 11.391 5.542 297 H THR 37 H THR 37 -9.378 10.009 2.445 298 HA THR 37 HA THR 37 -11.736 8.292 2.394 299 HB THR 37 HB THR 37 -11.179 9.488 0.331 300 HG1 THR 37 HG1 THR 37 -10.538 6.898 -0.468 301 HG21 THR 37 1HG2 THR 37 -8.586 7.896 0.267 302 HG22 THR 37 2HG2 THR 37 -8.717 9.632 0.556 303 HG23 THR 37 3HG2 THR 37 -9.178 8.962 -1.009 304 H GLU 38 H GLU 38 -11.554 5.980 1.886 305 HA GLU 38 HA GLU 38 -9.723 4.699 3.695 306 HB2 GLU 38 2HB GLU 38 -10.943 2.661 3.231 307 HB3 GLU 38 3HB GLU 38 -12.101 3.973 3.389 308 HG2 GLU 38 2HG GLU 38 -12.256 4.090 0.902 309 HG3 GLU 38 3HG GLU 38 -11.179 2.698 0.793 310 H ILE 39 H ILE 39 -8.035 3.289 3.230 311 HA ILE 39 HA ILE 39 -7.084 3.206 0.417 312 HB ILE 39 HB ILE 39 -5.356 3.090 2.937 313 HG12 ILE 39 2HG1 ILE 39 -5.731 5.459 1.037 314 HG13 ILE 39 3HG1 ILE 39 -6.418 5.348 2.651 315 HG21 ILE 39 1HG2 ILE 39 -4.573 3.366 0.010 316 HG22 ILE 39 2HG2 ILE 39 -4.385 1.918 1.002 317 HG23 ILE 39 3HG2 ILE 39 -3.461 3.370 1.380 318 HD11 ILE 39 1HD1 ILE 39 -3.480 5.437 1.990 319 HD12 ILE 39 2HD1 ILE 39 -4.174 5.319 3.609 320 HD13 ILE 39 3HD1 ILE 39 -4.460 6.756 2.629 321 H VAL 40 H VAL 40 -7.649 1.253 -0.297 322 HA VAL 40 HA VAL 40 -7.263 -1.189 1.293 323 HB VAL 40 HB VAL 40 -8.477 -0.834 -1.490 324 HG11 VAL 40 1HG1 VAL 40 -9.339 -3.141 -1.197 325 HG12 VAL 40 2HG1 VAL 40 -8.444 -3.273 0.316 326 HG13 VAL 40 3HG1 VAL 40 -7.574 -3.079 -1.207 327 HG21 VAL 40 1HG2 VAL 40 -9.912 -1.166 1.169 328 HG22 VAL 40 2HG2 VAL 40 -10.684 -1.142 -0.418 329 HG23 VAL 40 3HG2 VAL 40 -9.863 0.298 0.183 330 H VAL 41 H VAL 41 -5.138 -1.744 1.241 331 HA VAL 41 HA VAL 41 -3.529 -1.532 -1.219 332 HB VAL 41 HB VAL 41 -2.707 -2.469 1.587 333 HG11 VAL 41 1HG1 VAL 41 -1.202 -3.301 -0.174 334 HG12 VAL 41 2HG1 VAL 41 -0.395 -2.090 0.820 335 HG13 VAL 41 3HG1 VAL 41 -0.982 -1.658 -0.787 336 HG21 VAL 41 1HG2 VAL 41 -3.472 -0.134 1.651 337 HG22 VAL 41 2HG2 VAL 41 -2.370 0.286 0.339 338 HG23 VAL 41 3HG2 VAL 41 -1.726 -0.226 1.901 339 H GLU 42 H GLU 42 -2.910 -3.387 -2.389 340 HA GLU 42 HA GLU 42 -3.539 -6.038 -1.282 341 HB2 GLU 42 2HB GLU 42 -5.483 -5.279 -2.659 342 HB3 GLU 42 3HB GLU 42 -4.423 -5.140 -4.055 343 HG2 GLU 42 2HG GLU 42 -3.955 -7.575 -3.931 344 HG3 GLU 42 3HG GLU 42 -5.050 -7.704 -2.552 345 H VAL 43 H VAL 43 -1.597 -6.954 -1.224 346 HA VAL 43 HA VAL 43 0.465 -6.501 -3.237 347 HB VAL 43 HB VAL 43 0.532 -8.149 -0.657 348 HG11 VAL 43 1HG1 VAL 43 2.253 -8.895 -2.216 349 HG12 VAL 43 2HG1 VAL 43 2.986 -8.051 -0.858 350 HG13 VAL 43 3HG1 VAL 43 2.837 -7.239 -2.418 351 HG21 VAL 43 1HG2 VAL 43 0.104 -5.777 -0.179 352 HG22 VAL 43 2HG2 VAL 43 1.526 -5.310 -1.114 353 HG23 VAL 43 3HG2 VAL 43 1.713 -6.248 0.370 354 H HIS 44 H HIS 44 0.054 -7.689 -5.055 355 HA HIS 44 HA HIS 44 -0.816 -10.485 -4.999 356 HB2 HIS 44 2HB HIS 44 -0.081 -8.658 -7.346 357 HB3 HIS 44 3HB HIS 44 -0.720 -10.288 -7.503 358 HD1 HIS 44 HD1 HIS 44 -1.901 -7.248 -8.283 359 HD2 HIS 44 HD2 HIS 44 -3.340 -10.088 -5.624 360 HE1 HIS 44 HE1 HIS 44 -4.366 -6.812 -8.105 361 HE2 HIS 44 HE2 HIS 44 -5.228 -8.641 -6.611 362 H ILE 45 H ILE 45 0.822 -11.943 -4.514 363 HA ILE 45 HA ILE 45 3.369 -11.719 -6.035 364 HB ILE 45 HB ILE 45 2.978 -12.984 -3.280 365 HG12 ILE 45 2HG1 ILE 45 4.470 -10.484 -4.163 366 HG13 ILE 45 3HG1 ILE 45 3.039 -10.545 -3.149 367 HG21 ILE 45 1HG2 ILE 45 5.467 -13.342 -3.327 368 HG22 ILE 45 2HG2 ILE 45 5.477 -12.870 -5.027 369 HG23 ILE 45 3HG2 ILE 45 4.600 -14.311 -4.516 370 HD11 ILE 45 1HD1 ILE 45 5.779 -11.550 -2.418 371 HD12 ILE 45 2HD1 ILE 45 4.344 -11.642 -1.393 372 HD13 ILE 45 3HD1 ILE 45 5.004 -10.073 -1.853 373 H ASN 46 H ASN 46 3.191 -13.009 -7.702 374 HA ASN 46 HA ASN 46 2.896 -14.744 -9.082 375 HB2 ASN 46 2HB ASN 46 3.049 -16.368 -6.522 376 HB3 ASN 46 3HB ASN 46 2.928 -17.109 -8.109 377 HD21 ASN 46 1HD2 ASN 46 4.976 -15.286 -5.966 378 HD22 ASN 46 2HD2 ASN 46 6.443 -15.510 -6.842 379 H GLY 47 H GLY 47 0.911 -15.801 -6.352 380 HA2 GLY 47 2HA GLY 47 -1.571 -15.462 -7.906 381 HA3 GLY 47 3HA GLY 47 -1.169 -17.082 -7.350 382 H GLU 48 H GLU 48 0.063 -15.402 -4.913 383 HA GLU 48 HA GLU 48 -2.277 -15.456 -3.218 384 HB2 GLU 48 2HB GLU 48 0.590 -14.543 -2.667 385 HB3 GLU 48 3HB GLU 48 -0.681 -14.635 -1.453 386 HG2 GLU 48 2HG GLU 48 -0.830 -17.094 -1.841 387 HG3 GLU 48 3HG GLU 48 0.506 -16.966 -2.981 388 H ARG 49 H ARG 49 -3.368 -13.673 -2.419 389 HA ARG 49 HA ARG 49 -2.431 -10.961 -3.140 390 HB2 ARG 49 2HB ARG 49 -4.821 -10.274 -3.424 391 HB3 ARG 49 3HB ARG 49 -4.287 -11.449 -4.617 392 HG2 ARG 49 2HG ARG 49 -5.406 -13.240 -3.255 393 HG3 ARG 49 3HG ARG 49 -6.061 -11.971 -2.221 394 HD2 ARG 49 2HD ARG 49 -7.269 -11.017 -4.138 395 HD3 ARG 49 3HD ARG 49 -6.583 -12.249 -5.204 396 HE ARG 49 HE ARG 49 -8.665 -12.610 -3.170 397 HH11 ARG 49 1HH1 ARG 49 -6.578 -14.154 -5.563 398 HH12 ARG 49 2HH1 ARG 49 -7.526 -15.606 -5.621 399 HH21 ARG 49 1HH2 ARG 49 -9.868 -14.547 -3.240 400 HH22 ARG 49 2HH2 ARG 49 -9.380 -15.831 -4.302 401 H ASP 50 H ASP 50 -1.893 -9.957 -1.359 402 HA ASP 50 HA ASP 50 -3.172 -10.502 1.243 403 HB2 ASP 50 2HB ASP 50 -0.708 -10.487 1.237 404 HB3 ASP 50 3HB ASP 50 -0.702 -8.938 0.419 405 H GLU 51 H GLU 51 -4.934 -9.233 1.608 406 HA GLU 51 HA GLU 51 -5.028 -6.503 0.444 407 HB2 GLU 51 2HB GLU 51 -6.623 -8.024 -0.669 408 HB3 GLU 51 3HB GLU 51 -7.360 -8.427 0.878 409 HG2 GLU 51 2HG GLU 51 -8.046 -6.052 1.145 410 HG3 GLU 51 3HG GLU 51 -7.351 -5.684 -0.431 411 H ILE 52 H ILE 52 -4.860 -5.036 1.949 412 HA ILE 52 HA ILE 52 -6.023 -5.417 4.649 413 HB ILE 52 HB ILE 52 -3.525 -3.800 3.917 414 HG12 ILE 52 2HG1 ILE 52 -3.608 -6.482 5.387 415 HG13 ILE 52 3HG1 ILE 52 -3.252 -6.321 3.671 416 HG21 ILE 52 1HG2 ILE 52 -4.716 -2.913 5.884 417 HG22 ILE 52 2HG2 ILE 52 -3.174 -3.621 6.357 418 HG23 ILE 52 3HG2 ILE 52 -4.672 -4.505 6.654 419 HD11 ILE 52 1HD1 ILE 52 -1.242 -6.580 4.955 420 HD12 ILE 52 2HD1 ILE 52 -1.635 -5.155 5.918 421 HD13 ILE 52 3HD1 ILE 52 -1.292 -4.994 4.191 422 H ARG 53 H ARG 53 -7.575 -3.941 5.093 423 HA ARG 53 HA ARG 53 -7.819 -1.513 3.408 424 HB2 ARG 53 2HB ARG 53 -10.034 -3.086 4.804 425 HB3 ARG 53 3HB ARG 53 -10.253 -1.685 3.760 426 HG2 ARG 53 2HG ARG 53 -9.354 -2.987 1.855 427 HG3 ARG 53 3HG ARG 53 -9.179 -4.385 2.910 428 HD2 ARG 53 2HD ARG 53 -11.597 -4.495 3.229 429 HD3 ARG 53 3HD ARG 53 -11.812 -3.012 2.289 430 HE ARG 53 HE ARG 53 -10.559 -5.352 1.023 431 HH11 ARG 53 1HH1 ARG 53 -13.348 -3.198 1.198 432 HH12 ARG 53 2HH1 ARG 53 -14.019 -3.763 -0.298 433 HH21 ARG 53 1HH2 ARG 53 -11.436 -6.081 -0.919 434 HH22 ARG 53 2HH2 ARG 53 -12.929 -5.406 -1.505 435 H VAL 54 H VAL 54 -7.339 0.279 4.500 436 HA VAL 54 HA VAL 54 -7.966 0.518 7.391 437 HB VAL 54 HB VAL 54 -6.242 2.323 7.491 438 HG11 VAL 54 1HG1 VAL 54 -5.170 -0.355 6.539 439 HG12 VAL 54 2HG1 VAL 54 -5.634 0.062 8.190 440 HG13 VAL 54 3HG1 VAL 54 -4.255 0.862 7.436 441 HG21 VAL 54 1HG2 VAL 54 -4.626 2.635 5.661 442 HG22 VAL 54 2HG2 VAL 54 -6.261 3.006 5.117 443 HG23 VAL 54 3HG2 VAL 54 -5.508 1.478 4.661 444 H ARG 55 H ARG 55 -8.892 2.447 8.125 445 HA ARG 55 HA ARG 55 -9.964 4.343 6.131 446 HB2 ARG 55 2HB ARG 55 -11.561 2.899 8.294 447 HB3 ARG 55 3HB ARG 55 -12.148 4.330 7.456 448 HG2 ARG 55 2HG ARG 55 -11.927 3.073 5.293 449 HG3 ARG 55 3HG ARG 55 -11.532 1.631 6.222 450 HD2 ARG 55 2HD ARG 55 -13.721 1.554 7.190 451 HD3 ARG 55 3HD ARG 55 -14.109 3.179 6.604 452 HE ARG 55 HE ARG 55 -13.474 1.416 4.450 453 HH11 ARG 55 1HH1 ARG 55 -16.128 2.206 6.652 454 HH12 ARG 55 2HH1 ARG 55 -17.343 1.652 5.543 455 HH21 ARG 55 1HH2 ARG 55 -15.077 0.769 3.006 456 HH22 ARG 55 2HH2 ARG 55 -16.749 0.838 3.477 457 H ASN 56 H ASN 56 -9.277 6.287 6.650 458 HA ASN 56 HA ASN 56 -8.496 8.122 7.704 459 HB2 ASN 56 2HB ASN 56 -10.437 7.192 9.850 460 HB3 ASN 56 3HB ASN 56 -9.515 8.680 10.000 461 HD21 ASN 56 1HD2 ASN 56 -10.913 7.484 6.968 462 HD22 ASN 56 2HD2 ASN 56 -12.050 8.766 6.793 463 H ILE 57 H ILE 57 -6.375 7.344 7.721 464 HA ILE 57 HA ILE 57 -5.280 6.613 10.369 465 HB ILE 57 HB ILE 57 -3.375 5.467 8.943 466 HG12 ILE 57 2HG1 ILE 57 -4.271 4.305 6.878 467 HG13 ILE 57 3HG1 ILE 57 -5.687 5.344 6.944 468 HG21 ILE 57 1HG2 ILE 57 -4.523 3.293 9.083 469 HG22 ILE 57 2HG2 ILE 57 -6.064 4.116 9.328 470 HG23 ILE 57 3HG2 ILE 57 -4.782 4.267 10.533 471 HD11 ILE 57 1HD1 ILE 57 -4.298 7.283 6.481 472 HD12 ILE 57 2HD1 ILE 57 -4.038 6.028 5.268 473 HD13 ILE 57 3HD1 ILE 57 -2.849 6.279 6.543 474 H SER 58 H SER 58 -2.965 7.229 10.658 475 HA SER 58 HA SER 58 -2.449 9.915 9.536 476 HB2 SER 58 2HB SER 58 -1.287 8.585 12.025 477 HB3 SER 58 3HB SER 58 -1.098 10.278 11.554 478 HG SER 58 HG SER 58 -2.849 10.573 12.690 479 H LYS 59 H LYS 59 0.218 10.274 9.917 480 HA LYS 59 HA LYS 59 1.222 9.242 7.508 481 HB2 LYS 59 2HB LYS 59 3.231 10.498 7.885 482 HB3 LYS 59 3HB LYS 59 1.884 11.453 8.470 483 HG2 LYS 59 2HG LYS 59 3.812 9.886 10.209 484 HG3 LYS 59 3HG LYS 59 3.887 11.620 9.915 485 HD2 LYS 59 2HD LYS 59 1.609 11.821 11.001 486 HD3 LYS 59 3HD LYS 59 1.710 10.104 11.405 487 HE2 LYS 59 2HE LYS 59 2.368 11.437 13.330 488 HE3 LYS 59 3HE LYS 59 3.775 10.569 12.722 489 HZ1 LYS 59 1HZ LYS 59 3.135 13.436 12.251 490 HZ2 LYS 59 2HZ LYS 59 4.457 12.621 11.587 491 HZ3 LYS 59 3HZ LYS 59 4.352 12.830 13.258 492 H GLU 60 H GLU 60 1.939 8.149 10.850 493 HA GLU 60 HA GLU 60 3.973 6.261 9.905 494 HB2 GLU 60 2HB GLU 60 4.422 5.705 12.188 495 HB3 GLU 60 3HB GLU 60 4.222 7.445 12.137 496 HG2 GLU 60 2HG GLU 60 1.988 5.585 12.974 497 HG3 GLU 60 3HG GLU 60 3.175 6.192 14.109 498 H GLU 61 H GLU 61 0.628 6.307 10.857 499 HA GLU 61 HA GLU 61 0.119 3.573 11.195 500 HB2 GLU 61 2HB GLU 61 -1.699 5.794 10.206 501 HB3 GLU 61 3HB GLU 61 -2.261 4.188 10.648 502 HG2 GLU 61 2HG GLU 61 -0.839 6.075 12.546 503 HG3 GLU 61 3HG GLU 61 -2.590 5.924 12.419 504 H LEU 62 H LEU 62 0.008 5.555 8.232 505 HA LEU 62 HA LEU 62 -0.626 3.310 6.547 506 HB2 LEU 62 2HB LEU 62 -0.242 4.877 4.656 507 HB3 LEU 62 3HB LEU 62 -1.388 5.452 5.843 508 HG LEU 62 HG LEU 62 0.658 6.827 6.790 509 HD11 LEU 62 1HD1 LEU 62 2.255 7.552 5.081 510 HD12 LEU 62 2HD1 LEU 62 1.590 6.374 3.947 511 HD13 LEU 62 3HD1 LEU 62 2.399 5.825 5.417 512 HD21 LEU 62 1HD2 LEU 62 0.072 8.737 5.363 513 HD22 LEU 62 2HD2 LEU 62 -1.369 7.848 5.850 514 HD23 LEU 62 3HD2 LEU 62 -0.728 7.654 4.218 515 H LYS 63 H LYS 63 2.347 4.707 7.801 516 HA LYS 63 HA LYS 63 4.117 3.223 6.114 517 HB2 LYS 63 2HB LYS 63 4.611 4.325 8.906 518 HB3 LYS 63 3HB LYS 63 5.838 3.509 7.944 519 HG2 LYS 63 2HG LYS 63 5.433 5.296 6.160 520 HG3 LYS 63 3HG LYS 63 4.516 6.169 7.392 521 HD2 LYS 63 2HD LYS 63 6.545 6.134 8.865 522 HD3 LYS 63 3HD LYS 63 7.439 5.344 7.562 523 HE2 LYS 63 2HE LYS 63 6.786 7.391 6.127 524 HE3 LYS 63 3HE LYS 63 6.349 8.157 7.654 525 HZ1 LYS 63 1HZ LYS 63 8.596 8.713 7.053 526 HZ2 LYS 63 2HZ LYS 63 9.016 7.082 6.919 527 HZ3 LYS 63 3HZ LYS 63 8.631 7.731 8.434 528 H LYS 64 H LYS 64 2.059 2.296 8.767 529 HA LYS 64 HA LYS 64 3.424 -0.166 9.365 530 HB2 LYS 64 2HB LYS 64 0.455 0.399 9.754 531 HB3 LYS 64 3HB LYS 64 1.421 -0.818 10.573 532 HG2 LYS 64 2HG LYS 64 1.650 2.180 10.908 533 HG3 LYS 64 3HG LYS 64 0.953 1.059 12.065 534 HD2 LYS 64 2HD LYS 64 3.869 0.969 11.206 535 HD3 LYS 64 3HD LYS 64 3.300 1.890 12.595 536 HE2 LYS 64 2HE LYS 64 2.983 -1.112 12.269 537 HE3 LYS 64 3HE LYS 64 4.244 -0.330 13.217 538 HZ1 LYS 64 1HZ LYS 64 1.315 -0.241 13.735 539 HZ2 LYS 64 2HZ LYS 64 2.453 0.689 14.573 540 HZ3 LYS 64 3HZ LYS 64 2.502 -1.001 14.680 541 H LEU 65 H LEU 65 1.129 0.944 6.922 542 HA LEU 65 HA LEU 65 0.399 -1.590 5.797 543 HB2 LEU 65 2HB LEU 65 0.538 1.187 4.547 544 HB3 LEU 65 3HB LEU 65 -0.093 -0.207 3.700 545 HG LEU 65 HG LEU 65 -1.302 0.918 6.251 546 HD11 LEU 65 1HD1 LEU 65 -2.189 1.312 3.367 547 HD12 LEU 65 2HD1 LEU 65 -1.485 2.544 4.417 548 HD13 LEU 65 3HD1 LEU 65 -3.057 1.859 4.801 549 HD21 LEU 65 1HD2 LEU 65 -1.750 -1.476 5.935 550 HD22 LEU 65 2HD2 LEU 65 -2.335 -1.169 4.297 551 HD23 LEU 65 3HD2 LEU 65 -3.218 -0.531 5.683 552 H LEU 66 H LEU 66 2.918 0.800 5.135 553 HA LEU 66 HA LEU 66 4.219 -0.375 2.962 554 HB2 LEU 66 2HB LEU 66 5.439 1.302 5.194 555 HB3 LEU 66 3HB LEU 66 6.191 0.985 3.638 556 HG LEU 66 HG LEU 66 3.666 2.614 4.102 557 HD11 LEU 66 1HD1 LEU 66 6.417 3.519 3.185 558 HD12 LEU 66 2HD1 LEU 66 5.746 3.746 4.801 559 HD13 LEU 66 3HD1 LEU 66 4.994 4.534 3.425 560 HD21 LEU 66 1HD2 LEU 66 5.080 1.970 1.496 561 HD22 LEU 66 2HD2 LEU 66 3.758 3.124 1.688 562 HD23 LEU 66 3HD2 LEU 66 3.479 1.414 1.995 563 H GLU 67 H GLU 67 4.636 -0.878 6.439 564 HA GLU 67 HA GLU 67 6.852 -2.672 6.239 565 HB2 GLU 67 2HB GLU 67 4.885 -2.204 8.515 566 HB3 GLU 67 3HB GLU 67 6.329 -3.210 8.637 567 HG2 GLU 67 2HG GLU 67 7.740 -1.246 8.110 568 HG3 GLU 67 3HG GLU 67 6.295 -0.239 8.029 569 H ARG 68 H ARG 68 3.325 -3.124 6.281 570 HA ARG 68 HA ARG 68 3.381 -5.970 6.476 571 HB2 ARG 68 2HB ARG 68 1.250 -4.242 5.163 572 HB3 ARG 68 3HB ARG 68 1.071 -5.936 5.594 573 HG2 ARG 68 2HG ARG 68 1.299 -3.579 7.469 574 HG3 ARG 68 3HG ARG 68 -0.103 -4.596 7.192 575 HD2 ARG 68 2HD ARG 68 0.691 -5.355 9.241 576 HD3 ARG 68 3HD ARG 68 1.396 -6.518 8.115 577 HE ARG 68 HE ARG 68 2.974 -4.184 8.980 578 HH11 ARG 68 1HH1 ARG 68 2.539 -7.679 9.084 579 HH12 ARG 68 2HH1 ARG 68 4.111 -7.967 9.753 580 HH21 ARG 68 1HH2 ARG 68 5.032 -4.584 9.873 581 HH22 ARG 68 2HH2 ARG 68 5.524 -6.213 10.199 582 H ILE 69 H ILE 69 3.514 -3.738 3.732 583 HA ILE 69 HA ILE 69 3.455 -5.652 1.619 584 HB ILE 69 HB ILE 69 4.662 -2.838 1.642 585 HG12 ILE 69 2HG1 ILE 69 1.889 -3.682 0.670 586 HG13 ILE 69 3HG1 ILE 69 2.206 -2.930 2.226 587 HG21 ILE 69 1HG2 ILE 69 3.888 -4.554 -0.752 588 HG22 ILE 69 2HG2 ILE 69 5.530 -4.132 -0.258 589 HG23 ILE 69 3HG2 ILE 69 4.431 -2.876 -0.823 590 HD11 ILE 69 1HD1 ILE 69 2.675 -1.676 -0.475 591 HD12 ILE 69 2HD1 ILE 69 3.034 -0.924 1.081 592 HD13 ILE 69 3HD1 ILE 69 1.369 -1.308 0.652 593 H ARG 70 H ARG 70 6.095 -4.072 3.450 594 HA ARG 70 HA ARG 70 8.217 -4.989 1.829 595 HB2 ARG 70 2HB ARG 70 9.704 -3.998 3.338 596 HB3 ARG 70 3HB ARG 70 8.235 -3.084 3.650 597 HG2 ARG 70 2HG ARG 70 7.777 -4.490 5.618 598 HG3 ARG 70 3HG ARG 70 9.235 -5.415 5.305 599 HD2 ARG 70 2HD ARG 70 10.606 -3.421 5.745 600 HD3 ARG 70 3HD ARG 70 9.133 -2.472 6.041 601 HE ARG 70 HE ARG 70 9.383 -4.902 7.606 602 HH11 ARG 70 1HH1 ARG 70 10.019 -1.436 7.601 603 HH12 ARG 70 2HH1 ARG 70 10.097 -1.342 9.331 604 HH21 ARG 70 1HH2 ARG 70 9.439 -4.757 9.836 605 HH22 ARG 70 2HH2 ARG 70 9.768 -3.237 10.606 606 H GLU 71 H GLU 71 6.582 -6.360 4.665 607 HA GLU 71 HA GLU 71 8.269 -8.489 5.263 608 HB2 GLU 71 2HB GLU 71 5.216 -8.470 5.369 609 HB3 GLU 71 3HB GLU 71 6.224 -9.731 6.068 610 HG2 GLU 71 2HG GLU 71 5.939 -6.873 6.947 611 HG3 GLU 71 3HG GLU 71 5.580 -8.331 7.851 612 H LYS 72 H LYS 72 5.792 -8.141 2.777 613 HA LYS 72 HA LYS 72 5.705 -10.900 2.022 614 HB2 LYS 72 2HB LYS 72 4.746 -8.470 0.440 615 HB3 LYS 72 3HB LYS 72 4.288 -10.140 0.161 616 HG2 LYS 72 2HG LYS 72 3.458 -8.328 2.418 617 HG3 LYS 72 3HG LYS 72 2.443 -9.148 1.233 618 HD2 LYS 72 2HD LYS 72 3.162 -11.343 2.274 619 HD3 LYS 72 3HD LYS 72 3.954 -10.403 3.544 620 HE2 LYS 72 2HE LYS 72 1.002 -10.621 2.933 621 HE3 LYS 72 3HE LYS 72 1.840 -11.011 4.432 622 HZ1 LYS 72 1HZ LYS 72 1.300 -8.322 3.311 623 HZ2 LYS 72 2HZ LYS 72 2.347 -8.579 4.615 624 HZ3 LYS 72 3HZ LYS 72 0.706 -8.977 4.750 625 H ILE 73 H ILE 73 7.086 -7.962 0.523 626 HA ILE 73 HA ILE 73 8.079 -9.276 -1.794 627 HB ILE 73 HB ILE 73 9.163 -7.175 -2.388 628 HG12 ILE 73 2HG1 ILE 73 8.560 -6.236 0.456 629 HG13 ILE 73 3HG1 ILE 73 10.154 -6.596 -0.185 630 HG21 ILE 73 1HG2 ILE 73 6.480 -6.618 -1.062 631 HG22 ILE 73 2HG2 ILE 73 6.710 -7.298 -2.674 632 HG23 ILE 73 3HG2 ILE 73 7.226 -5.648 -2.336 633 HD11 ILE 73 1HD1 ILE 73 8.356 -4.372 -1.135 634 HD12 ILE 73 2HD1 ILE 73 9.990 -4.718 -1.711 635 HD13 ILE 73 3HD1 ILE 73 9.729 -4.211 -0.044 636 H GLU 74 H GLU 74 9.438 -8.795 1.390 637 HA GLU 74 HA GLU 74 12.162 -9.429 0.560 638 HB2 GLU 74 2HB GLU 74 10.981 -8.753 3.269 639 HB3 GLU 74 3HB GLU 74 12.679 -9.157 3.023 640 HG2 GLU 74 2HG GLU 74 12.892 -7.242 1.449 641 HG3 GLU 74 3HG GLU 74 11.208 -6.822 1.756 642 H ARG 75 H ARG 75 9.587 -11.023 2.485 643 HA ARG 75 HA ARG 75 11.103 -13.301 3.221 644 HB2 ARG 75 2HB ARG 75 8.974 -14.425 3.746 645 HB3 ARG 75 3HB ARG 75 8.961 -12.775 4.350 646 HG2 ARG 75 2HG ARG 75 7.563 -12.075 2.458 647 HG3 ARG 75 3HG ARG 75 7.602 -13.709 1.807 648 HD2 ARG 75 2HD ARG 75 6.437 -12.998 4.519 649 HD3 ARG 75 3HD ARG 75 5.491 -13.110 3.031 650 HE ARG 75 HE ARG 75 7.012 -15.476 3.507 651 HH11 ARG 75 1HH1 ARG 75 4.020 -13.866 4.451 652 HH12 ARG 75 2HH1 ARG 75 3.222 -15.348 4.882 653 HH21 ARG 75 1HH2 ARG 75 5.961 -17.388 4.029 654 HH22 ARG 75 2HH2 ARG 75 4.336 -17.363 4.635 655 H GLU 76 H GLU 76 9.093 -12.616 0.376 656 HA GLU 76 HA GLU 76 9.563 -15.213 -0.837 657 HB2 GLU 76 2HB GLU 76 8.374 -12.713 -2.115 658 HB3 GLU 76 3HB GLU 76 8.242 -14.362 -2.710 659 HG2 GLU 76 2HG GLU 76 7.002 -13.271 -0.171 660 HG3 GLU 76 3HG GLU 76 6.153 -13.616 -1.671 661 H GLY 77 H GLY 77 10.406 -11.830 -1.674 662 HA2 GLY 77 2HA GLY 77 12.306 -10.913 -2.577 663 HA3 GLY 77 3HA GLY 77 13.109 -12.467 -2.432 664 H SER 78 H SER 78 10.138 -12.648 -4.092 665 HA SER 78 HA SER 78 11.471 -13.245 -6.610 666 HB2 SER 78 2HB SER 78 9.137 -14.017 -7.291 667 HB3 SER 78 3HB SER 78 9.810 -14.849 -5.894 668 HG SER 78 HG SER 78 8.170 -14.189 -4.788 669 H SER 79 H SER 79 11.261 -12.113 -8.506 670 HA SER 79 HA SER 79 9.972 -9.498 -8.544 671 HB2 SER 79 2HB SER 79 11.571 -11.006 -10.655 672 HB3 SER 79 3HB SER 79 10.938 -9.372 -10.861 673 HG SER 79 HG SER 79 12.186 -8.739 -9.058 674 H GLU 80 H GLU 80 8.013 -10.919 -8.006 675 HA GLU 80 HA GLU 80 6.300 -10.935 -10.353 676 HB2 GLU 80 2HB GLU 80 7.227 -13.307 -10.075 677 HB3 GLU 80 3HB GLU 80 6.401 -13.383 -8.524 678 HG2 GLU 80 2HG GLU 80 5.164 -14.532 -10.333 679 HG3 GLU 80 3HG GLU 80 4.238 -13.222 -9.607 680 H VAL 81 H VAL 81 6.813 -9.312 -7.976 681 HA VAL 81 HA VAL 81 4.205 -9.493 -6.612 682 HB VAL 81 HB VAL 81 5.901 -9.470 -4.949 683 HG11 VAL 81 1HG1 VAL 81 7.113 -6.990 -6.193 684 HG12 VAL 81 2HG1 VAL 81 7.798 -8.615 -6.230 685 HG13 VAL 81 3HG1 VAL 81 7.637 -7.764 -4.692 686 HG21 VAL 81 1HG2 VAL 81 5.298 -7.473 -3.636 687 HG22 VAL 81 2HG2 VAL 81 3.887 -8.107 -4.481 688 HG23 VAL 81 3HG2 VAL 81 4.706 -6.668 -5.093 689 H GLU 82 H GLU 82 2.755 -8.410 -7.601 690 HA GLU 82 HA GLU 82 3.155 -5.652 -8.592 691 HB2 GLU 82 2HB GLU 82 2.140 -7.235 -10.205 692 HB3 GLU 82 3HB GLU 82 0.934 -7.719 -9.022 693 HG2 GLU 82 2HG GLU 82 0.093 -5.324 -9.073 694 HG3 GLU 82 3HG GLU 82 1.149 -5.060 -10.456 695 H VAL 83 H VAL 83 2.502 -4.076 -7.108 696 HA VAL 83 HA VAL 83 0.597 -4.840 -4.969 697 HB VAL 83 HB VAL 83 2.250 -2.264 -5.264 698 HG11 VAL 83 1HG1 VAL 83 0.609 -3.244 -2.887 699 HG12 VAL 83 2HG1 VAL 83 0.191 -1.901 -3.952 700 HG13 VAL 83 3HG1 VAL 83 1.616 -1.793 -2.921 701 HG21 VAL 83 1HG2 VAL 83 3.685 -3.155 -3.459 702 HG22 VAL 83 2HG2 VAL 83 3.714 -4.210 -4.871 703 HG23 VAL 83 3HG2 VAL 83 2.764 -4.662 -3.454 704 H ASN 84 H ASN 84 -1.375 -3.735 -4.784 705 HA ASN 84 HA ASN 84 -2.209 -1.925 -6.977 706 HB2 ASN 84 2HB ASN 84 -3.601 -4.432 -5.966 707 HB3 ASN 84 3HB ASN 84 -4.572 -3.095 -6.552 708 HD21 ASN 84 1HD2 ASN 84 -1.474 -4.267 -7.941 709 HD22 ASN 84 2HD2 ASN 84 -2.172 -4.753 -9.440 710 H VAL 85 H VAL 85 -2.335 -0.022 -5.855 711 HA VAL 85 HA VAL 85 -3.746 0.004 -3.251 712 HB VAL 85 HB VAL 85 -2.600 2.355 -4.838 713 HG11 VAL 85 1HG1 VAL 85 -2.851 3.641 -2.718 714 HG12 VAL 85 2HG1 VAL 85 -3.687 2.265 -1.994 715 HG13 VAL 85 3HG1 VAL 85 -4.401 3.106 -3.370 716 HG21 VAL 85 1HG2 VAL 85 -0.806 0.841 -4.119 717 HG22 VAL 85 2HG2 VAL 85 -1.415 0.859 -2.459 718 HG23 VAL 85 3HG2 VAL 85 -0.749 2.329 -3.173 719 H HIS 86 H HIS 86 -5.823 0.527 -3.025 720 HA HIS 86 HA HIS 86 -7.448 1.438 -5.335 721 HB2 HIS 86 2HB HIS 86 -8.528 -0.427 -3.172 722 HB3 HIS 86 3HB HIS 86 -9.219 -0.077 -4.745 723 HD1 HIS 86 HD1 HIS 86 -8.668 -1.707 -6.599 724 HD2 HIS 86 HD2 HIS 86 -6.294 -2.284 -3.238 725 HE1 HIS 86 HE1 HIS 86 -7.464 -3.877 -6.974 726 HE2 HIS 86 HE2 HIS 86 -6.199 -4.292 -4.854 727 H SER 87 H SER 87 -8.603 3.297 -4.786 728 HA SER 87 HA SER 87 -9.457 3.812 -2.066 729 HB2 SER 87 2HB SER 87 -7.084 4.552 -1.966 730 HB3 SER 87 3HB SER 87 -7.365 5.647 -3.322 731 HG SER 87 HG SER 87 -8.151 5.846 -0.658 732 H GLY 88 H GLY 88 -11.384 4.740 -2.203 733 HA2 GLY 88 2HA GLY 88 -13.137 6.080 -2.805 734 HA3 GLY 88 3HA GLY 88 -11.957 7.143 -3.547 735 H GLY 89 H GLY 89 -12.416 3.816 -4.568 736 HA2 GLY 89 2HA GLY 89 -13.698 2.964 -6.360 737 HA3 GLY 89 3HA GLY 89 -13.970 4.594 -6.957 738 H GLN 90 H GLN 90 -10.928 5.022 -6.516 739 HA GLN 90 HA GLN 90 -10.113 4.211 -9.188 740 HB2 GLN 90 2HB GLN 90 -8.710 5.839 -7.028 741 HB3 GLN 90 3HB GLN 90 -7.937 5.415 -8.550 742 HG2 GLN 90 2HG GLN 90 -8.718 7.640 -8.781 743 HG3 GLN 90 3HG GLN 90 -9.783 6.636 -9.753 744 HE21 GLN 90 1HE2 GLN 90 -9.927 7.111 -6.233 745 HE22 GLN 90 2HE2 GLN 90 -11.476 7.876 -6.230 746 H THR 91 H THR 91 -8.278 2.942 -9.682 747 HA THR 91 HA THR 91 -6.841 1.517 -7.547 748 HB THR 91 HB THR 91 -8.153 0.133 -9.938 749 HG1 THR 91 HG1 THR 91 -9.224 0.607 -7.709 750 HG21 THR 91 1HG2 THR 91 -5.883 -0.807 -9.575 751 HG22 THR 91 2HG2 THR 91 -7.127 -1.968 -9.112 752 HG23 THR 91 3HG2 THR 91 -6.258 -1.068 -7.869 753 H TRP 92 H TRP 92 -4.695 1.501 -7.953 754 HA TRP 92 HA TRP 92 -3.703 2.087 -10.687 755 HB2 TRP 92 2HB TRP 92 -2.359 2.793 -8.034 756 HB3 TRP 92 3HB TRP 92 -1.768 3.191 -9.643 757 HD1 TRP 92 HD1 TRP 92 -2.992 5.242 -10.929 758 HE1 TRP 92 HE1 TRP 92 -4.420 7.191 -10.052 759 HE3 TRP 92 HE3 TRP 92 -4.128 3.407 -6.283 760 HZ2 TRP 92 HZ2 TRP 92 -5.838 7.869 -7.712 761 HZ3 TRP 92 HZ3 TRP 92 -5.526 4.770 -4.783 762 HH2 TRP 92 HH2 TRP 92 -6.365 6.959 -5.484 763 H THR 93 H THR 93 -1.927 0.877 -11.395 764 HA THR 93 HA THR 93 -1.397 -1.647 -9.962 765 HB THR 93 HB THR 93 -0.837 -0.905 -12.875 766 HG1 THR 93 HG1 THR 93 -2.875 -2.636 -11.868 767 HG21 THR 93 1HG2 THR 93 -0.513 -3.336 -13.211 768 HG22 THR 93 2HG2 THR 93 -0.700 -3.599 -11.472 769 HG23 THR 93 3HG2 THR 93 0.671 -2.673 -12.083 770 H PHE 94 H PHE 94 0.627 -2.136 -9.257 771 HA PHE 94 HA PHE 94 2.854 -0.218 -9.671 772 HB2 PHE 94 2HB PHE 94 2.062 -1.623 -7.069 773 HB3 PHE 94 3HB PHE 94 3.468 -0.586 -7.279 774 HD1 PHE 94 HD1 PHE 94 -0.264 -0.596 -7.190 775 HD2 PHE 94 HD2 PHE 94 3.246 1.749 -7.131 776 HE1 PHE 94 HE1 PHE 94 -1.595 1.390 -6.624 777 HE2 PHE 94 HE2 PHE 94 1.949 3.759 -6.575 778 HZ PHE 94 HZ PHE 94 -0.494 3.570 -6.327 779 H ASN 95 H ASN 95 4.551 -1.259 -10.597 780 HA ASN 95 HA ASN 95 5.090 -4.089 -9.884 781 HB2 ASN 95 2HB ASN 95 5.043 -2.824 -12.644 782 HB3 ASN 95 3HB ASN 95 6.033 -4.243 -12.330 783 HD21 ASN 95 1HD2 ASN 95 5.002 -6.213 -11.767 784 HD22 ASN 95 2HD2 ASN 95 3.340 -6.501 -12.149 785 H GLU 96 H GLU 96 7.107 -4.538 -9.318 786 HA GLU 96 HA GLU 96 8.988 -2.379 -8.921 787 HB2 GLU 96 2HB GLU 96 10.315 -4.171 -7.707 788 HB3 GLU 96 3HB GLU 96 8.705 -3.860 -7.080 789 HG2 GLU 96 2HG GLU 96 8.977 -6.199 -6.985 790 HG3 GLU 96 3HG GLU 96 7.911 -5.900 -8.344 791 H LYS 97 H LYS 97 11.282 -2.619 -9.454 792 HA LYS 97 HA LYS 97 11.704 -3.824 -12.131 793 HB2 LYS 97 2HB LYS 97 12.748 -1.152 -11.075 794 HB3 LYS 97 3HB LYS 97 13.189 -1.860 -12.626 795 HG2 LYS 97 2HG LYS 97 10.909 -1.643 -13.449 796 HG3 LYS 97 3HG LYS 97 10.339 -1.111 -11.869 797 HD2 LYS 97 2HD LYS 97 12.315 0.415 -13.612 798 HD3 LYS 97 3HD LYS 97 10.591 0.774 -13.488 799 HE2 LYS 97 2HE LYS 97 10.876 1.235 -11.065 800 HE3 LYS 97 3HE LYS 97 12.605 0.912 -11.217 801 HZ1 LYS 97 1HZ LYS 97 12.729 2.763 -12.821 802 HZ2 LYS 97 2HZ LYS 97 12.209 3.263 -11.292 803 HZ3 LYS 97 3HZ LYS 97 11.092 3.098 -12.547 Start of MODEL 4 1 H1 MET 1 1H MET 1 -11.760 -22.700 5.130 2 H2 MET 1 2H MET 1 -11.389 -21.231 5.875 3 H3 MET 1 3H MET 1 -12.732 -22.122 6.389 4 HA MET 1 HA MET 1 -10.883 -22.297 7.916 5 HB2 MET 1 2HB MET 1 -10.827 -24.820 8.033 6 HB3 MET 1 3HB MET 1 -12.437 -24.133 7.921 7 HG2 MET 1 2HG MET 1 -10.925 -25.403 5.627 8 HG3 MET 1 3HG MET 1 -12.197 -26.174 6.570 9 HE1 MET 1 1HE MET 1 -14.366 -23.876 6.955 10 HE2 MET 1 2HE MET 1 -14.800 -25.501 6.419 11 HE3 MET 1 3HE MET 1 -15.375 -24.094 5.524 12 H GLY 2 H GLY 2 -8.877 -21.548 7.722 13 HA2 GLY 2 2HA GLY 2 -6.689 -22.974 6.735 14 HA3 GLY 2 3HA GLY 2 -7.194 -21.863 5.461 15 H HIS 3 H HIS 3 -5.421 -22.195 8.318 16 HA HIS 3 HA HIS 3 -5.577 -19.460 9.265 17 HB2 HIS 3 2HB HIS 3 -5.231 -21.575 10.685 18 HB3 HIS 3 3HB HIS 3 -3.582 -21.608 10.095 19 HD1 HIS 3 HD1 HIS 3 -5.802 -19.966 12.555 20 HD2 HIS 3 HD2 HIS 3 -1.926 -19.477 11.125 21 HE1 HIS 3 HE1 HIS 3 -4.650 -18.503 14.230 22 HE2 HIS 3 HE2 HIS 3 -2.281 -18.303 13.405 23 H HIS 4 H HIS 4 -4.935 -18.343 7.353 24 HA HIS 4 HA HIS 4 -2.457 -18.748 6.008 25 HB2 HIS 4 2HB HIS 4 -4.362 -17.686 4.865 26 HB3 HIS 4 3HB HIS 4 -4.326 -16.334 5.994 27 HD1 HIS 4 HD1 HIS 4 -2.387 -14.594 5.683 28 HD2 HIS 4 HD2 HIS 4 -2.486 -17.564 2.776 29 HE1 HIS 4 HE1 HIS 4 -0.880 -13.785 3.841 30 HE2 HIS 4 HE2 HIS 4 -0.876 -15.639 2.142 31 H HIS 5 H HIS 5 -0.782 -18.707 7.416 32 HA HIS 5 HA HIS 5 -0.079 -16.136 8.693 33 HB2 HIS 5 2HB HIS 5 1.657 -17.483 9.938 34 HB3 HIS 5 3HB HIS 5 0.002 -17.964 10.285 35 HD1 HIS 5 HD1 HIS 5 -0.774 -20.286 9.229 36 HD2 HIS 5 HD2 HIS 5 3.291 -19.514 9.000 37 HE1 HIS 5 HE1 HIS 5 0.293 -22.481 8.671 38 HE2 HIS 5 HE2 HIS 5 2.760 -22.030 8.774 39 H HIS 6 H HIS 6 1.394 -18.800 6.828 40 HA HIS 6 HA HIS 6 3.194 -19.029 5.503 41 HB2 HIS 6 2HB HIS 6 1.390 -17.807 4.105 42 HB3 HIS 6 3HB HIS 6 2.392 -16.373 4.274 43 HD1 HIS 6 HD1 HIS 6 4.618 -16.327 2.903 44 HD2 HIS 6 HD2 HIS 6 2.353 -19.751 2.336 45 HE1 HIS 6 HE1 HIS 6 5.578 -17.439 0.883 46 HE2 HIS 6 HE2 HIS 6 4.036 -19.357 0.424 47 H HIS 7 H HIS 7 3.674 -17.304 7.989 48 HA HIS 7 HA HIS 7 5.578 -15.272 7.095 49 HB2 HIS 7 2HB HIS 7 3.799 -14.652 8.720 50 HB3 HIS 7 3HB HIS 7 4.418 -15.832 9.863 51 HD1 HIS 7 HD1 HIS 7 6.332 -15.095 11.352 52 HD2 HIS 7 HD2 HIS 7 5.522 -12.361 8.332 53 HE1 HIS 7 HE1 HIS 7 7.629 -13.038 11.951 54 HE2 HIS 7 HE2 HIS 7 7.224 -11.439 10.053 55 H HIS 8 H HIS 8 7.044 -16.920 6.376 56 HA HIS 8 HA HIS 8 9.056 -17.501 8.455 57 HB2 HIS 8 2HB HIS 8 9.612 -19.668 7.519 58 HB3 HIS 8 3HB HIS 8 7.892 -19.667 7.874 59 HD1 HIS 8 HD1 HIS 8 10.152 -20.720 5.340 60 HD2 HIS 8 HD2 HIS 8 6.376 -18.985 5.300 61 HE1 HIS 8 HE1 HIS 8 9.203 -21.229 3.072 62 HE2 HIS 8 HE2 HIS 8 6.876 -20.280 3.117 63 H GLU 9 H GLU 9 11.232 -17.928 7.323 64 HA GLU 9 HA GLU 9 13.005 -17.034 6.248 65 HB2 GLU 9 2HB GLU 9 11.184 -16.310 3.912 66 HB3 GLU 9 3HB GLU 9 12.916 -16.608 3.872 67 HG2 GLU 9 2HG GLU 9 10.690 -18.622 4.210 68 HG3 GLU 9 3HG GLU 9 11.821 -18.483 2.866 69 H ASN 10 H ASN 10 11.154 -15.382 7.891 70 HA ASN 10 HA ASN 10 10.635 -12.837 6.831 71 HB2 ASN 10 2HB ASN 10 9.457 -13.746 8.785 72 HB3 ASN 10 3HB ASN 10 10.942 -13.751 9.728 73 HD21 ASN 10 1HD2 ASN 10 11.620 -11.846 10.683 74 HD22 ASN 10 2HD2 ASN 10 10.680 -10.397 10.689 75 H LEU 11 H LEU 11 11.575 -10.779 7.520 76 HA LEU 11 HA LEU 11 14.346 -10.605 7.054 77 HB2 LEU 11 2HB LEU 11 13.863 -8.081 7.809 78 HB3 LEU 11 3HB LEU 11 13.373 -8.716 6.254 79 HG LEU 11 HG LEU 11 11.052 -9.107 7.225 80 HD11 LEU 11 1HD1 LEU 11 11.543 -9.110 9.604 81 HD12 LEU 11 2HD1 LEU 11 10.347 -7.881 9.210 82 HD13 LEU 11 3HD1 LEU 11 12.017 -7.410 9.533 83 HD21 LEU 11 1HD2 LEU 11 11.516 -7.221 5.750 84 HD22 LEU 11 2HD2 LEU 11 12.016 -6.234 7.124 85 HD23 LEU 11 3HD2 LEU 11 10.340 -6.769 6.980 86 H TYR 12 H TYR 12 15.099 -12.068 8.686 87 HA TYR 12 HA TYR 12 15.322 -11.294 11.447 88 HB2 TYR 12 2HB TYR 12 17.017 -13.281 9.854 89 HB3 TYR 12 3HB TYR 12 16.920 -13.178 11.614 90 HD1 TYR 12 HD1 TYR 12 14.213 -13.179 12.387 91 HD2 TYR 12 HD2 TYR 12 15.894 -15.180 8.999 92 HE1 TYR 12 HE1 TYR 12 12.341 -14.766 12.389 93 HE2 TYR 12 HE2 TYR 12 14.015 -16.764 9.009 94 HH TYR 12 HH TYR 12 12.354 -17.643 10.637 95 H PHE 13 H PHE 13 17.365 -11.236 8.566 96 HA PHE 13 HA PHE 13 19.065 -9.098 9.645 97 HB2 PHE 13 2HB PHE 13 19.161 -10.507 6.929 98 HB3 PHE 13 3HB PHE 13 20.358 -9.369 7.551 99 HD1 PHE 13 HD1 PHE 13 21.794 -10.030 9.522 100 HD2 PHE 13 HD2 PHE 13 19.224 -12.845 7.575 101 HE1 PHE 13 HE1 PHE 13 23.026 -11.885 10.569 102 HE2 PHE 13 HE2 PHE 13 20.468 -14.692 8.621 103 HZ PHE 13 HZ PHE 13 22.366 -14.217 10.120 104 H GLN 14 H GLN 14 18.675 -6.996 9.109 105 HA GLN 14 HA GLN 14 16.267 -6.354 7.548 106 HB2 GLN 14 2HB GLN 14 17.962 -4.658 9.428 107 HB3 GLN 14 3HB GLN 14 16.485 -4.109 8.638 108 HG2 GLN 14 2HG GLN 14 15.173 -5.747 9.874 109 HG3 GLN 14 3HG GLN 14 16.636 -6.419 10.596 110 HE21 GLN 14 1HE2 GLN 14 14.284 -5.240 11.894 111 HE22 GLN 14 2HE2 GLN 14 14.868 -3.947 12.872 112 H SER 15 H SER 15 19.040 -7.039 6.382 113 HA SER 15 HA SER 15 20.058 -4.742 5.075 114 HB2 SER 15 2HB SER 15 20.222 -7.676 4.248 115 HB3 SER 15 3HB SER 15 21.202 -6.373 3.574 116 HG SER 15 HG SER 15 22.391 -7.373 5.163 117 H HIS 16 H HIS 16 18.258 -3.602 4.304 118 HA HIS 16 HA HIS 16 17.269 -4.414 1.694 119 HB2 HIS 16 2HB HIS 16 14.851 -3.954 2.295 120 HB3 HIS 16 3HB HIS 16 15.504 -5.399 3.036 121 HD1 HIS 16 HD1 HIS 16 14.045 -5.574 5.052 122 HD2 HIS 16 HD2 HIS 16 15.645 -1.768 4.656 123 HE1 HIS 16 HE1 HIS 16 13.386 -4.353 7.140 124 HE2 HIS 16 HE2 HIS 16 14.365 -2.058 6.878 125 H MET 17 H MET 17 16.603 -2.709 0.433 126 HA MET 17 HA MET 17 16.043 -0.105 1.672 127 HB2 MET 17 2HB MET 17 18.343 0.107 0.766 128 HB3 MET 17 3HB MET 17 17.804 -0.484 -0.801 129 HG2 MET 17 2HG MET 17 18.125 1.977 -0.743 130 HG3 MET 17 3HG MET 17 16.474 1.512 -1.156 131 HE1 MET 17 1HE MET 17 15.518 3.947 -0.643 132 HE2 MET 17 2HE MET 17 17.166 4.486 -0.308 133 HE3 MET 17 3HE MET 17 15.873 4.837 0.838 134 H THR 18 H THR 18 14.033 -1.300 1.497 135 HA THR 18 HA THR 18 12.888 -1.861 -1.093 136 HB THR 18 HB THR 18 10.808 -2.367 0.371 137 HG1 THR 18 HG1 THR 18 11.153 -1.375 2.267 138 HG21 THR 18 1HG2 THR 18 11.742 -4.474 1.231 139 HG22 THR 18 2HG2 THR 18 13.379 -3.871 0.976 140 HG23 THR 18 3HG2 THR 18 12.321 -4.158 -0.408 141 H ASP 19 H ASP 19 13.207 0.966 0.753 142 HA ASP 19 HA ASP 19 10.840 2.400 0.249 143 HB2 ASP 19 2HB ASP 19 13.693 3.401 0.567 144 HB3 ASP 19 3HB ASP 19 12.289 4.460 0.525 145 H GLU 20 H GLU 20 13.296 1.458 -1.974 146 HA GLU 20 HA GLU 20 13.051 3.184 -4.113 147 HB2 GLU 20 2HB GLU 20 13.087 0.136 -4.130 148 HB3 GLU 20 3HB GLU 20 13.396 1.139 -5.545 149 HG2 GLU 20 2HG GLU 20 15.071 1.109 -3.018 150 HG3 GLU 20 3HG GLU 20 15.458 0.262 -4.514 151 H LEU 21 H LEU 21 10.841 0.593 -3.135 152 HA LEU 21 HA LEU 21 8.802 1.357 -5.117 153 HB2 LEU 21 2HB LEU 21 8.718 -1.008 -3.189 154 HB3 LEU 21 3HB LEU 21 7.669 -0.720 -4.565 155 HG LEU 21 HG LEU 21 9.862 -0.966 -6.000 156 HD11 LEU 21 1HD1 LEU 21 10.780 -2.383 -3.471 157 HD12 LEU 21 2HD1 LEU 21 11.488 -0.925 -4.168 158 HD13 LEU 21 3HD1 LEU 21 11.579 -2.447 -5.048 159 HD21 LEU 21 1HD2 LEU 21 9.526 -3.407 -6.157 160 HD22 LEU 21 2HD2 LEU 21 7.992 -2.547 -6.093 161 HD23 LEU 21 3HD2 LEU 21 8.591 -3.384 -4.658 162 H LEU 22 H LEU 22 9.463 1.310 -1.664 163 HA LEU 22 HA LEU 22 6.674 1.516 -0.908 164 HB2 LEU 22 2HB LEU 22 9.153 1.495 0.820 165 HB3 LEU 22 3HB LEU 22 7.494 1.367 1.390 166 HG LEU 22 HG LEU 22 9.046 -0.680 -0.229 167 HD11 LEU 22 1HD1 LEU 22 7.821 -0.796 2.536 168 HD12 LEU 22 2HD1 LEU 22 9.538 -0.655 2.143 169 HD13 LEU 22 3HD1 LEU 22 8.657 -2.111 1.707 170 HD21 LEU 22 1HD2 LEU 22 6.787 -0.682 -1.145 171 HD22 LEU 22 2HD2 LEU 22 6.093 -0.785 0.475 172 HD23 LEU 22 3HD2 LEU 22 7.041 -2.129 -0.168 173 H GLU 23 H GLU 23 9.433 3.792 -0.901 174 HA GLU 23 HA GLU 23 8.347 5.641 0.955 175 HB2 GLU 23 2HB GLU 23 10.757 5.579 0.346 176 HB3 GLU 23 3HB GLU 23 10.360 6.173 -1.264 177 HG2 GLU 23 2HG GLU 23 9.454 8.259 -0.219 178 HG3 GLU 23 3HG GLU 23 9.989 7.658 1.354 179 H ARG 24 H ARG 24 8.112 5.410 -2.571 180 HA ARG 24 HA ARG 24 6.595 7.780 -3.020 181 HB2 ARG 24 2HB ARG 24 6.036 6.766 -5.219 182 HB3 ARG 24 3HB ARG 24 7.754 6.667 -4.861 183 HG2 ARG 24 2HG ARG 24 7.385 4.279 -4.122 184 HG3 ARG 24 3HG ARG 24 5.726 4.418 -4.703 185 HD2 ARG 24 2HD ARG 24 8.216 4.750 -6.415 186 HD3 ARG 24 3HD ARG 24 7.217 3.296 -6.333 187 HE ARG 24 HE ARG 24 5.554 5.441 -7.019 188 HH11 ARG 24 1HH1 ARG 24 8.231 3.672 -8.471 189 HH12 ARG 24 2HH1 ARG 24 7.698 3.967 -10.091 190 HH21 ARG 24 1HH2 ARG 24 4.845 5.764 -9.151 191 HH22 ARG 24 2HH2 ARG 24 5.777 5.152 -10.478 192 H LEU 25 H LEU 25 5.714 4.538 -1.948 193 HA LEU 25 HA LEU 25 2.872 4.826 -2.266 194 HB2 LEU 25 2HB LEU 25 4.463 2.961 -0.453 195 HB3 LEU 25 3HB LEU 25 2.727 2.858 -0.722 196 HG LEU 25 HG LEU 25 4.854 2.463 -2.861 197 HD11 LEU 25 1HD1 LEU 25 4.856 0.614 -1.250 198 HD12 LEU 25 2HD1 LEU 25 4.253 0.089 -2.819 199 HD13 LEU 25 3HD1 LEU 25 3.122 0.378 -1.493 200 HD21 LEU 25 1HD2 LEU 25 2.999 1.723 -4.296 201 HD22 LEU 25 2HD2 LEU 25 2.813 3.401 -3.800 202 HD23 LEU 25 3HD2 LEU 25 1.844 2.144 -3.027 203 H ARG 26 H ARG 26 5.207 5.370 0.345 204 HA ARG 26 HA ARG 26 3.581 6.058 2.481 205 HB2 ARG 26 2HB ARG 26 6.125 5.876 2.515 206 HB3 ARG 26 3HB ARG 26 6.197 7.463 1.763 207 HG2 ARG 26 2HG ARG 26 4.752 8.212 3.834 208 HG3 ARG 26 3HG ARG 26 5.357 6.721 4.561 209 HD2 ARG 26 2HD ARG 26 6.980 9.069 3.538 210 HD3 ARG 26 3HD ARG 26 6.792 8.549 5.213 211 HE ARG 26 HE ARG 26 7.925 6.418 3.815 212 HH11 ARG 26 1HH1 ARG 26 8.807 9.700 4.695 213 HH12 ARG 26 2HH1 ARG 26 10.509 9.371 4.729 214 HH21 ARG 26 1HH2 ARG 26 10.189 5.996 3.841 215 HH22 ARG 26 2HH2 ARG 26 11.291 7.272 4.244 216 H GLN 27 H GLN 27 4.915 8.114 -0.077 217 HA GLN 27 HA GLN 27 3.776 10.582 0.710 218 HB2 GLN 27 2HB GLN 27 4.585 9.708 -2.099 219 HB3 GLN 27 3HB GLN 27 4.405 11.371 -1.538 220 HG2 GLN 27 2HG GLN 27 6.478 9.383 -0.565 221 HG3 GLN 27 3HG GLN 27 6.767 10.704 -1.691 222 HE21 GLN 27 1HE2 GLN 27 7.894 10.076 0.999 223 HE22 GLN 27 2HE2 GLN 27 7.657 11.509 1.932 224 H LEU 28 H LEU 28 2.608 7.989 -1.389 225 HA LEU 28 HA LEU 28 0.328 9.304 -2.462 226 HB2 LEU 28 2HB LEU 28 1.314 7.275 -3.481 227 HB3 LEU 28 3HB LEU 28 0.862 6.331 -2.070 228 HG LEU 28 HG LEU 28 -1.548 6.708 -2.602 229 HD11 LEU 28 1HD1 LEU 28 -1.414 8.842 -3.778 230 HD12 LEU 28 2HD1 LEU 28 -2.241 7.642 -4.766 231 HD13 LEU 28 3HD1 LEU 28 -0.568 8.077 -5.129 232 HD21 LEU 28 1HD2 LEU 28 -1.681 5.185 -4.533 233 HD22 LEU 28 2HD2 LEU 28 -0.447 4.661 -3.393 234 HD23 LEU 28 3HD2 LEU 28 0.027 5.467 -4.890 235 H PHE 29 H PHE 29 0.807 7.281 0.430 236 HA PHE 29 HA PHE 29 -1.956 7.251 1.228 237 HB2 PHE 29 2HB PHE 29 0.570 6.583 2.786 238 HB3 PHE 29 3HB PHE 29 -1.063 6.315 3.387 239 HD1 PHE 29 HD1 PHE 29 -2.560 5.052 1.345 240 HD2 PHE 29 HD2 PHE 29 1.603 4.559 2.192 241 HE1 PHE 29 HE1 PHE 29 -2.597 2.837 0.288 242 HE2 PHE 29 HE2 PHE 29 1.552 2.343 1.129 243 HZ PHE 29 HZ PHE 29 -0.551 1.482 0.178 244 H GLU 30 H GLU 30 0.879 9.201 2.111 245 HA GLU 30 HA GLU 30 -0.257 10.798 4.144 246 HB2 GLU 30 2HB GLU 30 1.984 11.417 2.169 247 HB3 GLU 30 3HB GLU 30 1.535 12.500 3.485 248 HG2 GLU 30 2HG GLU 30 2.114 10.714 5.120 249 HG3 GLU 30 3HG GLU 30 2.619 9.683 3.784 250 H GLU 31 H GLU 31 -0.292 10.993 0.660 251 HA GLU 31 HA GLU 31 -1.496 13.556 0.391 252 HB2 GLU 31 2HB GLU 31 -0.190 12.565 -1.402 253 HB3 GLU 31 3HB GLU 31 -1.284 11.186 -1.502 254 HG2 GLU 31 2HG GLU 31 -3.078 12.649 -2.311 255 HG3 GLU 31 3HG GLU 31 -2.014 14.055 -2.167 256 H LEU 32 H LEU 32 -2.809 10.231 0.059 257 HA LEU 32 HA LEU 32 -5.522 10.949 -0.354 258 HB2 LEU 32 2HB LEU 32 -4.334 8.317 0.604 259 HB3 LEU 32 3HB LEU 32 -5.993 8.525 0.059 260 HG LEU 32 HG LEU 32 -3.541 8.943 -1.698 261 HD11 LEU 32 1HD1 LEU 32 -4.111 6.809 -2.776 262 HD12 LEU 32 2HD1 LEU 32 -5.420 6.560 -1.617 263 HD13 LEU 32 3HD1 LEU 32 -3.743 6.586 -1.066 264 HD21 LEU 32 1HD2 LEU 32 -5.445 10.307 -2.427 265 HD22 LEU 32 2HD2 LEU 32 -6.489 8.884 -2.442 266 HD23 LEU 32 3HD2 LEU 32 -5.143 9.007 -3.578 267 H HIS 33 H HIS 33 -3.650 10.694 2.523 268 HA HIS 33 HA HIS 33 -5.569 10.352 4.534 269 HB2 HIS 33 2HB HIS 33 -3.137 10.332 4.935 270 HB3 HIS 33 3HB HIS 33 -3.026 12.036 4.512 271 HD1 HIS 33 HD1 HIS 33 -3.203 13.641 6.413 272 HD2 HIS 33 HD2 HIS 33 -4.653 9.886 7.428 273 HE1 HIS 33 HE1 HIS 33 -3.695 13.753 8.859 274 HE2 HIS 33 HE2 HIS 33 -4.762 11.551 9.402 275 H GLU 34 H GLU 34 -5.081 13.072 2.413 276 HA GLU 34 HA GLU 34 -6.250 15.243 3.721 277 HB2 GLU 34 2HB GLU 34 -6.703 16.175 1.477 278 HB3 GLU 34 3HB GLU 34 -5.122 15.410 1.497 279 HG2 GLU 34 2HG GLU 34 -6.107 13.399 0.397 280 HG3 GLU 34 3HG GLU 34 -7.662 14.211 0.345 281 H ARG 35 H ARG 35 -7.751 12.498 2.152 282 HA ARG 35 HA ARG 35 -10.476 13.631 2.443 283 HB2 ARG 35 2HB ARG 35 -11.061 12.190 0.477 284 HB3 ARG 35 3HB ARG 35 -9.867 13.423 0.121 285 HG2 ARG 35 2HG ARG 35 -8.173 11.396 0.628 286 HG3 ARG 35 3HG ARG 35 -9.572 10.445 0.146 287 HD2 ARG 35 2HD ARG 35 -8.092 12.532 -1.493 288 HD3 ARG 35 3HD ARG 35 -8.187 10.798 -1.801 289 HE ARG 35 HE ARG 35 -10.668 11.236 -2.157 290 HH11 ARG 35 1HH1 ARG 35 -8.231 13.677 -2.917 291 HH12 ARG 35 2HH1 ARG 35 -9.211 14.435 -4.130 292 HH21 ARG 35 1HH2 ARG 35 -11.929 12.261 -3.723 293 HH22 ARG 35 2HH2 ARG 35 -11.313 13.633 -4.588 294 H GLY 36 H GLY 36 -8.337 11.078 3.269 295 HA2 GLY 36 2HA GLY 36 -8.480 9.247 4.605 296 HA3 GLY 36 3HA GLY 36 -9.886 10.018 5.324 297 H THR 37 H THR 37 -9.531 8.952 1.978 298 HA THR 37 HA THR 37 -11.994 7.522 1.973 299 HB THR 37 HB THR 37 -11.104 6.687 -0.332 300 HG1 THR 37 HG1 THR 37 -8.845 7.142 0.256 301 HG21 THR 37 1HG2 THR 37 -11.307 9.682 0.138 302 HG22 THR 37 2HG2 THR 37 -12.665 8.587 -0.133 303 HG23 THR 37 3HG2 THR 37 -11.483 8.865 -1.415 304 H GLU 38 H GLU 38 -12.315 5.268 1.648 305 HA GLU 38 HA GLU 38 -10.633 3.566 3.203 306 HB2 GLU 38 2HB GLU 38 -12.193 1.737 2.444 307 HB3 GLU 38 3HB GLU 38 -12.976 3.099 3.230 308 HG2 GLU 38 2HG GLU 38 -13.644 3.967 0.981 309 HG3 GLU 38 3HG GLU 38 -12.941 2.522 0.249 310 H ILE 39 H ILE 39 -8.686 3.254 2.491 311 HA ILE 39 HA ILE 39 -7.982 2.744 -0.288 312 HB ILE 39 HB ILE 39 -6.198 2.914 2.199 313 HG12 ILE 39 2HG1 ILE 39 -6.758 5.148 0.183 314 HG13 ILE 39 3HG1 ILE 39 -7.446 5.065 1.798 315 HG21 ILE 39 1HG2 ILE 39 -5.144 1.732 0.334 316 HG22 ILE 39 2HG2 ILE 39 -4.356 3.286 0.586 317 HG23 ILE 39 3HG2 ILE 39 -5.489 3.078 -0.752 318 HD11 ILE 39 1HD1 ILE 39 -5.599 6.611 1.728 319 HD12 ILE 39 2HD1 ILE 39 -4.523 5.351 1.127 320 HD13 ILE 39 3HD1 ILE 39 -5.193 5.239 2.758 321 H VAL 40 H VAL 40 -8.156 0.687 -0.938 322 HA VAL 40 HA VAL 40 -7.669 -1.581 0.886 323 HB VAL 40 HB VAL 40 -8.924 -1.635 -1.912 324 HG11 VAL 40 1HG1 VAL 40 -7.915 -3.772 -1.247 325 HG12 VAL 40 2HG1 VAL 40 -9.670 -3.915 -1.290 326 HG13 VAL 40 3HG1 VAL 40 -8.836 -3.773 0.259 327 HG21 VAL 40 1HG2 VAL 40 -10.367 -0.329 -0.394 328 HG22 VAL 40 2HG2 VAL 40 -10.378 -1.654 0.773 329 HG23 VAL 40 3HG2 VAL 40 -11.128 -1.865 -0.811 330 H VAL 41 H VAL 41 -5.524 -1.875 0.867 331 HA VAL 41 HA VAL 41 -3.927 -1.728 -1.589 332 HB VAL 41 HB VAL 41 -3.075 -2.170 1.324 333 HG11 VAL 41 1HG1 VAL 41 -0.763 -1.729 0.543 334 HG12 VAL 41 2HG1 VAL 41 -1.334 -1.642 -1.125 335 HG13 VAL 41 3HG1 VAL 41 -1.444 -3.160 -0.233 336 HG21 VAL 41 1HG2 VAL 41 -2.948 0.352 -0.389 337 HG22 VAL 41 2HG2 VAL 41 -2.297 0.183 1.244 338 HG23 VAL 41 3HG2 VAL 41 -4.034 0.065 0.975 339 H GLU 42 H GLU 42 -3.870 -3.500 -2.738 340 HA GLU 42 HA GLU 42 -4.212 -6.165 -1.515 341 HB2 GLU 42 2HB GLU 42 -6.043 -5.362 -3.037 342 HB3 GLU 42 3HB GLU 42 -4.869 -5.191 -4.336 343 HG2 GLU 42 2HG GLU 42 -6.138 -7.229 -4.610 344 HG3 GLU 42 3HG GLU 42 -4.446 -7.605 -4.288 345 H VAL 43 H VAL 43 -2.203 -6.952 -1.299 346 HA VAL 43 HA VAL 43 -0.081 -6.452 -3.266 347 HB VAL 43 HB VAL 43 0.046 -8.110 -0.689 348 HG11 VAL 43 1HG1 VAL 43 2.489 -7.773 -0.835 349 HG12 VAL 43 2HG1 VAL 43 2.294 -6.886 -2.349 350 HG13 VAL 43 3HG1 VAL 43 1.871 -8.599 -2.266 351 HG21 VAL 43 1HG2 VAL 43 0.987 -6.119 0.435 352 HG22 VAL 43 2HG2 VAL 43 -0.647 -5.804 -0.148 353 HG23 VAL 43 3HG2 VAL 43 0.740 -5.156 -1.028 354 H HIS 44 H HIS 44 0.567 -8.008 -4.715 355 HA HIS 44 HA HIS 44 -0.602 -10.736 -4.622 356 HB2 HIS 44 2HB HIS 44 -0.445 -8.863 -7.033 357 HB3 HIS 44 3HB HIS 44 -0.726 -10.591 -7.179 358 HD1 HIS 44 HD1 HIS 44 -2.764 -8.750 -8.344 359 HD2 HIS 44 HD2 HIS 44 -2.972 -10.129 -4.438 360 HE1 HIS 44 HE1 HIS 44 -5.193 -8.654 -7.729 361 HE2 HIS 44 HE2 HIS 44 -5.309 -9.661 -5.431 362 H ILE 45 H ILE 45 1.166 -12.002 -4.290 363 HA ILE 45 HA ILE 45 3.533 -11.730 -6.023 364 HB ILE 45 HB ILE 45 3.664 -11.952 -2.969 365 HG12 ILE 45 2HG1 ILE 45 4.614 -9.778 -4.892 366 HG13 ILE 45 3HG1 ILE 45 3.360 -9.640 -3.666 367 HG21 ILE 45 1HG2 ILE 45 6.005 -12.110 -4.918 368 HG22 ILE 45 2HG2 ILE 45 5.367 -13.448 -3.965 369 HG23 ILE 45 3HG2 ILE 45 6.129 -12.084 -3.155 370 HD11 ILE 45 1HD1 ILE 45 6.317 -9.934 -3.216 371 HD12 ILE 45 2HD1 ILE 45 5.102 -9.951 -1.937 372 HD13 ILE 45 3HD1 ILE 45 5.315 -8.510 -2.930 373 H ASN 46 H ASN 46 2.929 -13.542 -7.155 374 HA ASN 46 HA ASN 46 3.044 -15.714 -7.775 375 HB2 ASN 46 2HB ASN 46 4.843 -15.871 -5.322 376 HB3 ASN 46 3HB ASN 46 4.724 -17.144 -6.534 377 HD21 ASN 46 1HD2 ASN 46 5.680 -13.810 -5.998 378 HD22 ASN 46 2HD2 ASN 46 6.764 -13.700 -7.327 379 H GLY 47 H GLY 47 0.841 -14.989 -5.950 380 HA2 GLY 47 2HA GLY 47 -1.008 -16.582 -5.658 381 HA3 GLY 47 3HA GLY 47 0.130 -17.683 -4.887 382 H GLU 48 H GLU 48 1.442 -15.387 -3.479 383 HA GLU 48 HA GLU 48 -0.257 -15.291 -1.152 384 HB2 GLU 48 2HB GLU 48 2.511 -14.226 -1.804 385 HB3 GLU 48 3HB GLU 48 1.689 -13.699 -0.338 386 HG2 GLU 48 2HG GLU 48 2.336 -16.575 -1.050 387 HG3 GLU 48 3HG GLU 48 3.228 -15.565 0.092 388 H ARG 49 H ARG 49 -1.989 -14.040 -1.247 389 HA ARG 49 HA ARG 49 -1.712 -11.270 -2.221 390 HB2 ARG 49 2HB ARG 49 -4.043 -11.229 -2.734 391 HB3 ARG 49 3HB ARG 49 -3.367 -12.683 -3.455 392 HG2 ARG 49 2HG ARG 49 -4.322 -14.030 -1.587 393 HG3 ARG 49 3HG ARG 49 -5.032 -12.553 -0.917 394 HD2 ARG 49 2HD ARG 49 -6.209 -12.252 -3.162 395 HD3 ARG 49 3HD ARG 49 -5.685 -13.894 -3.555 396 HE ARG 49 HE ARG 49 -7.048 -13.857 -1.067 397 HH11 ARG 49 1HH1 ARG 49 -7.665 -13.611 -4.520 398 HH12 ARG 49 2HH1 ARG 49 -9.285 -14.209 -4.394 399 HH21 ARG 49 1HH2 ARG 49 -9.201 -14.577 -0.912 400 HH22 ARG 49 2HH2 ARG 49 -10.161 -14.758 -2.347 401 H ASP 50 H ASP 50 -2.711 -9.603 -0.968 402 HA ASP 50 HA ASP 50 -3.407 -10.241 1.818 403 HB2 ASP 50 2HB ASP 50 -0.808 -9.931 1.491 404 HB3 ASP 50 3HB ASP 50 -1.182 -8.228 1.264 405 H GLU 51 H GLU 51 -5.220 -9.123 2.147 406 HA GLU 51 HA GLU 51 -5.816 -6.659 0.621 407 HB2 GLU 51 2HB GLU 51 -7.391 -8.540 0.341 408 HB3 GLU 51 3HB GLU 51 -7.624 -8.639 2.082 409 HG2 GLU 51 2HG GLU 51 -8.625 -6.345 2.028 410 HG3 GLU 51 3HG GLU 51 -8.482 -6.361 0.270 411 H ILE 52 H ILE 52 -5.184 -4.902 1.826 412 HA ILE 52 HA ILE 52 -5.850 -4.804 4.724 413 HB ILE 52 HB ILE 52 -3.914 -2.887 3.341 414 HG12 ILE 52 2HG1 ILE 52 -2.993 -5.462 4.708 415 HG13 ILE 52 3HG1 ILE 52 -3.169 -5.317 2.962 416 HG21 ILE 52 1HG2 ILE 52 -4.171 -3.794 6.245 417 HG22 ILE 52 2HG2 ILE 52 -4.740 -2.262 5.582 418 HG23 ILE 52 3HG2 ILE 52 -3.012 -2.607 5.633 419 HD11 ILE 52 1HD1 ILE 52 -1.491 -3.543 2.934 420 HD12 ILE 52 2HD1 ILE 52 -0.866 -5.030 3.648 421 HD13 ILE 52 3HD1 ILE 52 -1.318 -3.679 4.686 422 H ARG 53 H ARG 53 -7.814 -3.814 4.858 423 HA ARG 53 HA ARG 53 -8.433 -1.493 3.137 424 HB2 ARG 53 2HB ARG 53 -10.293 -3.033 5.003 425 HB3 ARG 53 3HB ARG 53 -10.758 -1.821 3.808 426 HG2 ARG 53 2HG ARG 53 -10.054 -3.318 1.982 427 HG3 ARG 53 3HG ARG 53 -9.512 -4.518 3.160 428 HD2 ARG 53 2HD ARG 53 -12.365 -3.583 2.720 429 HD3 ARG 53 3HD ARG 53 -11.696 -5.156 2.278 430 HE ARG 53 HE ARG 53 -11.732 -4.309 5.112 431 HH11 ARG 53 1HH1 ARG 53 -12.876 -6.537 2.650 432 HH12 ARG 53 2HH1 ARG 53 -13.557 -7.639 3.801 433 HH21 ARG 53 1HH2 ARG 53 -12.629 -5.746 6.600 434 HH22 ARG 53 2HH2 ARG 53 -13.420 -7.194 6.056 435 H VAL 54 H VAL 54 -7.510 0.211 4.048 436 HA VAL 54 HA VAL 54 -7.968 0.882 6.899 437 HB VAL 54 HB VAL 54 -6.017 2.447 6.660 438 HG11 VAL 54 1HG1 VAL 54 -4.242 0.737 6.751 439 HG12 VAL 54 2HG1 VAL 54 -5.340 -0.457 6.055 440 HG13 VAL 54 3HG1 VAL 54 -5.671 0.225 7.649 441 HG21 VAL 54 1HG2 VAL 54 -6.074 2.812 4.218 442 HG22 VAL 54 2HG2 VAL 54 -5.609 1.134 3.932 443 HG23 VAL 54 3HG2 VAL 54 -4.479 2.241 4.714 444 H ARG 55 H ARG 55 -8.612 3.086 7.331 445 HA ARG 55 HA ARG 55 -9.762 4.549 5.006 446 HB2 ARG 55 2HB ARG 55 -10.922 4.336 7.824 447 HB3 ARG 55 3HB ARG 55 -11.604 5.274 6.497 448 HG2 ARG 55 2HG ARG 55 -12.078 3.233 5.242 449 HG3 ARG 55 3HG ARG 55 -11.290 2.256 6.483 450 HD2 ARG 55 2HD ARG 55 -13.024 3.025 8.122 451 HD3 ARG 55 3HD ARG 55 -13.835 3.878 6.802 452 HE ARG 55 HE ARG 55 -13.810 1.497 5.745 453 HH11 ARG 55 1HH1 ARG 55 -14.430 2.213 9.127 454 HH12 ARG 55 2HH1 ARG 55 -15.449 0.829 9.351 455 HH21 ARG 55 1HH2 ARG 55 -15.159 -0.280 6.043 456 HH22 ARG 55 2HH2 ARG 55 -15.863 -0.588 7.596 457 H ASN 56 H ASN 56 -8.844 4.913 8.422 458 HA ASN 56 HA ASN 56 -7.821 7.640 7.881 459 HB2 ASN 56 2HB ASN 56 -9.033 6.582 10.478 460 HB3 ASN 56 3HB ASN 56 -8.453 8.220 10.193 461 HD21 ASN 56 1HD2 ASN 56 -9.632 8.432 7.498 462 HD22 ASN 56 2HD2 ASN 56 -11.334 8.579 7.734 463 H ILE 57 H ILE 57 -5.760 6.994 7.471 464 HA ILE 57 HA ILE 57 -4.221 5.852 9.719 465 HB ILE 57 HB ILE 57 -2.566 5.136 7.680 466 HG12 ILE 57 2HG1 ILE 57 -3.974 4.036 5.844 467 HG13 ILE 57 3HG1 ILE 57 -5.357 4.947 6.426 468 HG21 ILE 57 1HG2 ILE 57 -3.360 3.657 9.471 469 HG22 ILE 57 2HG2 ILE 57 -3.415 2.831 7.915 470 HG23 ILE 57 3HG2 ILE 57 -4.903 3.443 8.641 471 HD11 ILE 57 1HD1 ILE 57 -2.840 6.128 5.249 472 HD12 ILE 57 2HD1 ILE 57 -4.265 7.029 5.771 473 HD13 ILE 57 3HD1 ILE 57 -4.376 5.907 4.416 474 H SER 58 H SER 58 -3.067 7.357 10.640 475 HA SER 58 HA SER 58 -2.272 9.816 9.345 476 HB2 SER 58 2HB SER 58 -1.632 8.718 12.118 477 HB3 SER 58 3HB SER 58 -1.345 10.380 11.574 478 HG SER 58 HG SER 58 -3.433 9.690 12.774 479 H LYS 59 H LYS 59 0.140 10.486 9.973 480 HA LYS 59 HA LYS 59 1.671 9.452 7.965 481 HB2 LYS 59 2HB LYS 59 3.508 10.802 8.741 482 HB3 LYS 59 3HB LYS 59 2.008 11.672 8.987 483 HG2 LYS 59 2HG LYS 59 3.579 10.243 11.155 484 HG3 LYS 59 3HG LYS 59 3.647 11.973 10.834 485 HD2 LYS 59 2HD LYS 59 1.252 12.165 11.456 486 HD3 LYS 59 3HD LYS 59 1.195 10.425 11.752 487 HE2 LYS 59 2HE LYS 59 2.967 10.748 13.526 488 HE3 LYS 59 3HE LYS 59 2.784 12.494 13.311 489 HZ1 LYS 59 1HZ LYS 59 1.439 11.660 15.139 490 HZ2 LYS 59 2HZ LYS 59 0.634 10.607 14.096 491 HZ3 LYS 59 3HZ LYS 59 0.457 12.282 13.909 492 H GLU 60 H GLU 60 1.737 8.241 11.306 493 HA GLU 60 HA GLU 60 4.074 6.538 10.806 494 HB2 GLU 60 2HB GLU 60 4.042 5.961 13.125 495 HB3 GLU 60 3HB GLU 60 3.744 7.686 13.029 496 HG2 GLU 60 2HG GLU 60 1.570 5.609 13.440 497 HG3 GLU 60 3HG GLU 60 2.390 6.447 14.745 498 H GLU 61 H GLU 61 0.582 6.246 10.988 499 HA GLU 61 HA GLU 61 0.604 3.346 11.072 500 HB2 GLU 61 2HB GLU 61 -1.668 5.347 10.908 501 HB3 GLU 61 3HB GLU 61 -1.918 3.602 10.908 502 HG2 GLU 61 2HG GLU 61 -0.697 5.269 13.127 503 HG3 GLU 61 3HG GLU 61 -2.253 4.435 13.142 504 H LEU 62 H LEU 62 0.279 5.772 8.584 505 HA LEU 62 HA LEU 62 -0.677 3.956 6.578 506 HB2 LEU 62 2HB LEU 62 -0.272 5.745 4.979 507 HB3 LEU 62 3HB LEU 62 -1.168 6.296 6.371 508 HG LEU 62 HG LEU 62 1.151 7.211 7.212 509 HD11 LEU 62 1HD1 LEU 62 1.764 7.034 4.244 510 HD12 LEU 62 2HD1 LEU 62 2.596 6.170 5.536 511 HD13 LEU 62 3HD1 LEU 62 2.705 7.927 5.446 512 HD21 LEU 62 1HD2 LEU 62 0.736 9.359 6.087 513 HD22 LEU 62 2HD2 LEU 62 -0.765 8.624 6.643 514 HD23 LEU 62 3HD2 LEU 62 -0.334 8.559 4.932 515 H LYS 63 H LYS 63 2.406 4.914 7.843 516 HA LYS 63 HA LYS 63 4.237 3.777 6.115 517 HB2 LYS 63 2HB LYS 63 4.137 3.947 9.133 518 HB3 LYS 63 3HB LYS 63 5.475 3.130 8.350 519 HG2 LYS 63 2HG LYS 63 4.716 6.035 7.940 520 HG3 LYS 63 3HG LYS 63 6.013 5.446 8.978 521 HD2 LYS 63 2HD LYS 63 5.855 5.354 5.946 522 HD3 LYS 63 3HD LYS 63 7.046 6.185 6.945 523 HE2 LYS 63 2HE LYS 63 6.783 3.208 6.438 524 HE3 LYS 63 3HE LYS 63 8.142 4.255 6.045 525 HZ1 LYS 63 1HZ LYS 63 8.328 4.556 8.562 526 HZ2 LYS 63 2HZ LYS 63 8.825 3.086 7.909 527 HZ3 LYS 63 3HZ LYS 63 7.327 3.192 8.682 528 H LYS 64 H LYS 64 1.992 2.186 8.330 529 HA LYS 64 HA LYS 64 3.241 -0.353 8.437 530 HB2 LYS 64 2HB LYS 64 0.300 0.352 8.833 531 HB3 LYS 64 3HB LYS 64 1.070 -1.154 9.341 532 HG2 LYS 64 2HG LYS 64 1.725 1.628 10.368 533 HG3 LYS 64 3HG LYS 64 0.810 0.388 11.235 534 HD2 LYS 64 2HD LYS 64 2.724 -0.967 11.574 535 HD3 LYS 64 3HD LYS 64 3.641 -0.175 10.291 536 HE2 LYS 64 2HE LYS 64 4.467 0.434 12.515 537 HE3 LYS 64 3HE LYS 64 3.860 1.836 11.634 538 HZ1 LYS 64 1HZ LYS 64 1.876 1.819 12.921 539 HZ2 LYS 64 2HZ LYS 64 3.171 1.717 14.006 540 HZ3 LYS 64 3HZ LYS 64 2.264 0.339 13.638 541 H LEU 65 H LEU 65 1.144 1.141 6.089 542 HA LEU 65 HA LEU 65 0.060 -1.154 4.826 543 HB2 LEU 65 2HB LEU 65 0.471 1.730 4.002 544 HB3 LEU 65 3HB LEU 65 -0.108 0.583 2.821 545 HG LEU 65 HG LEU 65 -1.983 1.817 3.753 546 HD11 LEU 65 1HD1 LEU 65 -2.368 -0.512 3.113 547 HD12 LEU 65 2HD1 LEU 65 -3.421 -0.027 4.434 548 HD13 LEU 65 3HD1 LEU 65 -2.012 -1.041 4.758 549 HD21 LEU 65 1HD2 LEU 65 -2.626 1.776 6.087 550 HD22 LEU 65 2HD2 LEU 65 -0.983 2.385 5.954 551 HD23 LEU 65 3HD2 LEU 65 -1.260 0.733 6.500 552 H LEU 66 H LEU 66 2.936 0.795 4.142 553 HA LEU 66 HA LEU 66 3.781 -0.862 1.904 554 HB2 LEU 66 2HB LEU 66 5.663 0.730 1.738 555 HB3 LEU 66 3HB LEU 66 4.105 1.523 1.762 556 HG LEU 66 HG LEU 66 4.693 1.733 4.392 557 HD11 LEU 66 1HD1 LEU 66 6.853 0.601 4.263 558 HD12 LEU 66 2HD1 LEU 66 7.018 2.264 4.811 559 HD13 LEU 66 3HD1 LEU 66 7.445 1.840 3.151 560 HD21 LEU 66 1HD2 LEU 66 5.426 4.024 4.012 561 HD22 LEU 66 2HD2 LEU 66 4.072 3.598 2.969 562 HD23 LEU 66 3HD2 LEU 66 5.707 3.665 2.306 563 H GLU 67 H GLU 67 4.512 -0.573 5.341 564 HA GLU 67 HA GLU 67 6.901 -2.184 5.304 565 HB2 GLU 67 2HB GLU 67 5.077 -1.395 7.617 566 HB3 GLU 67 3HB GLU 67 6.607 -2.250 7.808 567 HG2 GLU 67 2HG GLU 67 7.762 -0.309 6.703 568 HG3 GLU 67 3HG GLU 67 6.224 0.541 6.689 569 H ARG 68 H ARG 68 3.491 -2.879 5.372 570 HA ARG 68 HA ARG 68 3.694 -5.675 5.919 571 HB2 ARG 68 2HB ARG 68 1.613 -4.142 4.309 572 HB3 ARG 68 3HB ARG 68 1.484 -5.853 4.692 573 HG2 ARG 68 2HG ARG 68 1.466 -3.573 6.690 574 HG3 ARG 68 3HG ARG 68 0.068 -4.486 6.143 575 HD2 ARG 68 2HD ARG 68 0.669 -5.289 8.305 576 HD3 ARG 68 3HD ARG 68 1.111 -6.540 7.139 577 HE ARG 68 HE ARG 68 3.174 -4.649 8.033 578 HH11 ARG 68 1HH1 ARG 68 1.930 -7.928 8.192 579 HH12 ARG 68 2HH1 ARG 68 3.391 -8.567 8.864 580 HH21 ARG 68 1HH2 ARG 68 5.097 -5.525 8.844 581 HH22 ARG 68 2HH2 ARG 68 5.183 -7.209 9.234 582 H ILE 69 H ILE 69 4.061 -3.722 3.002 583 HA ILE 69 HA ILE 69 4.023 -5.917 1.157 584 HB ILE 69 HB ILE 69 5.063 -3.077 0.747 585 HG12 ILE 69 2HG1 ILE 69 2.298 -4.234 0.128 586 HG13 ILE 69 3HG1 ILE 69 2.667 -3.194 1.497 587 HG21 ILE 69 1HG2 ILE 69 4.712 -3.490 -1.676 588 HG22 ILE 69 2HG2 ILE 69 4.258 -5.161 -1.334 589 HG23 ILE 69 3HG2 ILE 69 5.900 -4.606 -1.003 590 HD11 ILE 69 1HD1 ILE 69 1.585 -1.966 -0.265 591 HD12 ILE 69 2HD1 ILE 69 2.843 -2.431 -1.407 592 HD13 ILE 69 3HD1 ILE 69 3.234 -1.382 -0.040 593 H ARG 70 H ARG 70 6.611 -4.119 2.855 594 HA ARG 70 HA ARG 70 8.797 -4.999 1.310 595 HB2 ARG 70 2HB ARG 70 10.289 -4.233 2.979 596 HB3 ARG 70 3HB ARG 70 8.920 -3.154 3.054 597 HG2 ARG 70 2HG ARG 70 8.219 -3.922 5.142 598 HG3 ARG 70 3HG ARG 70 9.055 -5.464 4.968 599 HD2 ARG 70 2HD ARG 70 10.207 -4.108 6.620 600 HD3 ARG 70 3HD ARG 70 11.230 -4.305 5.200 601 HE ARG 70 HE ARG 70 10.768 -2.036 4.583 602 HH11 ARG 70 1HH1 ARG 70 9.679 -2.867 7.821 603 HH12 ARG 70 2HH1 ARG 70 9.642 -1.219 8.357 604 HH21 ARG 70 1HH2 ARG 70 10.756 0.102 5.328 605 HH22 ARG 70 2HH2 ARG 70 10.254 0.453 6.949 606 H GLU 71 H GLU 71 7.254 -6.481 4.178 607 HA GLU 71 HA GLU 71 9.185 -8.528 4.492 608 HB2 GLU 71 2HB GLU 71 7.613 -9.674 5.951 609 HB3 GLU 71 3HB GLU 71 7.632 -7.960 6.333 610 HG2 GLU 71 2HG GLU 71 5.448 -7.623 5.603 611 HG3 GLU 71 3HG GLU 71 5.515 -8.951 4.454 612 H LYS 72 H LYS 72 6.361 -8.156 2.401 613 HA LYS 72 HA LYS 72 5.995 -10.921 1.765 614 HB2 LYS 72 2HB LYS 72 5.289 -8.578 -0.051 615 HB3 LYS 72 3HB LYS 72 4.589 -10.190 -0.075 616 HG2 LYS 72 2HG LYS 72 4.199 -8.062 2.033 617 HG3 LYS 72 3HG LYS 72 3.015 -8.615 0.850 618 HD2 LYS 72 2HD LYS 72 3.050 -10.871 1.940 619 HD3 LYS 72 3HD LYS 72 4.163 -10.231 3.157 620 HE2 LYS 72 2HE LYS 72 2.455 -8.593 3.866 621 HE3 LYS 72 3HE LYS 72 1.339 -9.220 2.647 622 HZ1 LYS 72 1HZ LYS 72 2.373 -10.617 5.044 623 HZ2 LYS 72 2HZ LYS 72 1.557 -11.410 3.795 624 HZ3 LYS 72 3HZ LYS 72 0.766 -10.209 4.685 625 H ILE 73 H ILE 73 7.662 -8.223 0.132 626 HA ILE 73 HA ILE 73 8.557 -9.756 -2.101 627 HB ILE 73 HB ILE 73 9.707 -7.825 -2.903 628 HG12 ILE 73 2HG1 ILE 73 9.760 -5.687 -1.197 629 HG13 ILE 73 3HG1 ILE 73 9.937 -6.973 -0.017 630 HG21 ILE 73 1HG2 ILE 73 7.277 -7.627 -2.985 631 HG22 ILE 73 2HG2 ILE 73 8.002 -6.038 -2.766 632 HG23 ILE 73 3HG2 ILE 73 7.250 -6.857 -1.395 633 HD11 ILE 73 1HD1 ILE 73 11.771 -6.443 -2.362 634 HD12 ILE 73 2HD1 ILE 73 11.965 -7.745 -1.187 635 HD13 ILE 73 3HD1 ILE 73 12.090 -6.066 -0.671 636 H GLU 74 H GLU 74 9.852 -9.218 1.091 637 HA GLU 74 HA GLU 74 12.544 -10.116 0.444 638 HB2 GLU 74 2HB GLU 74 11.232 -9.316 3.070 639 HB3 GLU 74 3HB GLU 74 12.907 -9.858 2.949 640 HG2 GLU 74 2HG GLU 74 13.420 -7.979 1.426 641 HG3 GLU 74 3HG GLU 74 11.742 -7.452 1.510 642 H ARG 75 H ARG 75 9.854 -11.453 2.448 643 HA ARG 75 HA ARG 75 11.461 -13.797 3.032 644 HB2 ARG 75 2HB ARG 75 9.810 -14.498 4.613 645 HB3 ARG 75 3HB ARG 75 10.158 -12.799 4.860 646 HG2 ARG 75 2HG ARG 75 8.015 -12.165 3.941 647 HG3 ARG 75 3HG ARG 75 7.686 -13.814 3.428 648 HD2 ARG 75 2HD ARG 75 7.348 -14.560 5.653 649 HD3 ARG 75 3HD ARG 75 8.173 -13.163 6.338 650 HE ARG 75 HE ARG 75 6.249 -11.959 6.236 651 HH11 ARG 75 1HH1 ARG 75 5.675 -14.869 4.347 652 HH12 ARG 75 2HH1 ARG 75 3.967 -14.572 4.252 653 HH21 ARG 75 1HH2 ARG 75 4.029 -11.691 6.183 654 HH22 ARG 75 2HH2 ARG 75 3.044 -12.803 5.277 655 H GLU 76 H GLU 76 8.482 -13.145 1.130 656 HA GLU 76 HA GLU 76 8.339 -15.833 0.102 657 HB2 GLU 76 2HB GLU 76 7.242 -13.180 -0.900 658 HB3 GLU 76 3HB GLU 76 7.142 -14.616 -1.907 659 HG2 GLU 76 2HG GLU 76 5.051 -14.231 -0.725 660 HG3 GLU 76 3HG GLU 76 5.781 -15.748 -0.230 661 H GLY 77 H GLY 77 9.801 -12.792 -1.035 662 HA2 GLY 77 2HA GLY 77 11.909 -12.441 -1.897 663 HA3 GLY 77 3HA GLY 77 12.195 -14.169 -1.893 664 H SER 78 H SER 78 9.735 -14.619 -3.524 665 HA SER 78 HA SER 78 10.904 -14.823 -6.035 666 HB2 SER 78 2HB SER 78 7.968 -14.937 -5.251 667 HB3 SER 78 3HB SER 78 8.663 -15.579 -6.738 668 HG SER 78 HG SER 78 10.101 -16.681 -4.915 669 H SER 79 H SER 79 11.190 -13.349 -7.574 670 HA SER 79 HA SER 79 10.273 -10.631 -7.344 671 HB2 SER 79 2HB SER 79 11.639 -10.379 -9.502 672 HB3 SER 79 3HB SER 79 12.528 -10.983 -8.101 673 HG SER 79 HG SER 79 11.432 -12.564 -10.195 674 H GLU 80 H GLU 80 8.030 -11.142 -7.444 675 HA GLU 80 HA GLU 80 6.917 -10.369 -9.967 676 HB2 GLU 80 2HB GLU 80 7.007 -12.937 -10.117 677 HB3 GLU 80 3HB GLU 80 5.916 -13.001 -8.747 678 HG2 GLU 80 2HG GLU 80 5.228 -11.660 -11.374 679 HG3 GLU 80 3HG GLU 80 4.881 -13.347 -11.028 680 H VAL 81 H VAL 81 6.199 -8.575 -8.950 681 HA VAL 81 HA VAL 81 4.566 -8.807 -6.481 682 HB VAL 81 HB VAL 81 6.540 -6.541 -7.110 683 HG11 VAL 81 1HG1 VAL 81 4.927 -7.058 -4.571 684 HG12 VAL 81 2HG1 VAL 81 4.633 -5.782 -5.753 685 HG13 VAL 81 3HG1 VAL 81 6.113 -5.766 -4.797 686 HG21 VAL 81 1HG2 VAL 81 6.895 -8.809 -5.098 687 HG22 VAL 81 2HG2 VAL 81 7.974 -7.425 -5.293 688 HG23 VAL 81 3HG2 VAL 81 7.797 -8.593 -6.601 689 H GLU 82 H GLU 82 2.628 -7.806 -6.637 690 HA GLU 82 HA GLU 82 2.242 -5.525 -8.453 691 HB2 GLU 82 2HB GLU 82 1.461 -7.587 -9.656 692 HB3 GLU 82 3HB GLU 82 0.342 -7.914 -8.335 693 HG2 GLU 82 2HG GLU 82 -0.749 -5.695 -8.805 694 HG3 GLU 82 3HG GLU 82 0.294 -5.533 -10.218 695 H VAL 83 H VAL 83 1.773 -3.977 -6.986 696 HA VAL 83 HA VAL 83 -0.049 -4.523 -4.727 697 HB VAL 83 HB VAL 83 1.721 -2.082 -5.276 698 HG11 VAL 83 1HG1 VAL 83 1.219 -1.420 -2.943 699 HG12 VAL 83 2HG1 VAL 83 0.112 -2.787 -2.784 700 HG13 VAL 83 3HG1 VAL 83 -0.243 -1.490 -3.927 701 HG21 VAL 83 1HG2 VAL 83 3.186 -2.944 -3.469 702 HG22 VAL 83 2HG2 VAL 83 3.089 -4.077 -4.815 703 HG23 VAL 83 3HG2 VAL 83 2.183 -4.394 -3.334 704 H ASN 84 H ASN 84 -2.096 -3.718 -4.784 705 HA ASN 84 HA ASN 84 -2.911 -1.877 -6.978 706 HB2 ASN 84 2HB ASN 84 -4.652 -4.022 -5.671 707 HB3 ASN 84 3HB ASN 84 -5.032 -3.067 -7.097 708 HD21 ASN 84 1HD2 ASN 84 -2.481 -3.432 -8.424 709 HD22 ASN 84 2HD2 ASN 84 -2.428 -5.078 -8.927 710 H VAL 85 H VAL 85 -3.209 0.073 -5.963 711 HA VAL 85 HA VAL 85 -4.356 0.163 -3.238 712 HB VAL 85 HB VAL 85 -2.995 2.375 -4.874 713 HG11 VAL 85 1HG1 VAL 85 -2.972 3.662 -2.738 714 HG12 VAL 85 2HG1 VAL 85 -3.941 2.394 -1.978 715 HG13 VAL 85 3HG1 VAL 85 -4.609 3.336 -3.311 716 HG21 VAL 85 1HG2 VAL 85 -1.399 0.607 -4.224 717 HG22 VAL 85 2HG2 VAL 85 -1.897 0.743 -2.536 718 HG23 VAL 85 3HG2 VAL 85 -1.073 2.091 -3.326 719 H HIS 86 H HIS 86 -6.524 0.119 -3.369 720 HA HIS 86 HA HIS 86 -8.007 1.542 -5.490 721 HB2 HIS 86 2HB HIS 86 -8.912 -0.534 -3.426 722 HB3 HIS 86 3HB HIS 86 -9.971 0.224 -4.611 723 HD1 HIS 86 HD1 HIS 86 -10.217 -0.985 -6.761 724 HD2 HIS 86 HD2 HIS 86 -6.811 -2.199 -4.718 725 HE1 HIS 86 HE1 HIS 86 -9.352 -2.961 -8.032 726 HE2 HIS 86 HE2 HIS 86 -7.243 -3.627 -6.839 727 H SER 87 H SER 87 -8.515 3.612 -4.914 728 HA SER 87 HA SER 87 -10.030 4.137 -2.512 729 HB2 SER 87 2HB SER 87 -8.477 5.989 -1.728 730 HB3 SER 87 3HB SER 87 -7.830 4.364 -1.513 731 HG SER 87 HG SER 87 -7.189 5.466 -3.936 732 H GLY 88 H GLY 88 -11.546 5.597 -2.998 733 HA2 GLY 88 2HA GLY 88 -12.655 7.388 -3.886 734 HA3 GLY 88 3HA GLY 88 -11.097 8.049 -4.351 735 H GLY 89 H GLY 89 -12.272 4.943 -5.475 736 HA2 GLY 89 2HA GLY 89 -13.240 4.258 -7.467 737 HA3 GLY 89 3HA GLY 89 -13.303 5.923 -8.018 738 H GLN 90 H GLN 90 -10.209 5.480 -6.969 739 HA GLN 90 HA GLN 90 -9.202 4.838 -9.678 740 HB2 GLN 90 2HB GLN 90 -7.810 6.315 -7.394 741 HB3 GLN 90 3HB GLN 90 -7.163 6.066 -9.015 742 HG2 GLN 90 2HG GLN 90 -9.059 7.439 -9.924 743 HG3 GLN 90 3HG GLN 90 -9.569 7.754 -8.265 744 HE21 GLN 90 1HE2 GLN 90 -6.227 7.639 -9.430 745 HE22 GLN 90 2HE2 GLN 90 -5.889 9.299 -9.121 746 H THR 91 H THR 91 -7.300 3.531 -9.839 747 HA THR 91 HA THR 91 -6.402 2.052 -7.478 748 HB THR 91 HB THR 91 -7.182 0.639 -10.069 749 HG1 THR 91 HG1 THR 91 -8.908 1.240 -8.554 750 HG21 THR 91 1HG2 THR 91 -6.570 -1.442 -8.864 751 HG22 THR 91 2HG2 THR 91 -6.026 -0.492 -7.481 752 HG23 THR 91 3HG2 THR 91 -5.170 -0.378 -9.021 753 H TRP 92 H TRP 92 -4.311 2.466 -7.360 754 HA TRP 92 HA TRP 92 -2.656 2.848 -9.767 755 HB2 TRP 92 2HB TRP 92 -2.051 3.200 -6.800 756 HB3 TRP 92 3HB TRP 92 -0.896 3.489 -8.095 757 HD1 TRP 92 HD1 TRP 92 -1.265 5.713 -9.604 758 HE1 TRP 92 HE1 TRP 92 -2.526 7.898 -9.120 759 HE3 TRP 92 HE3 TRP 92 -4.128 4.162 -5.653 760 HZ2 TRP 92 HZ2 TRP 92 -4.452 8.854 -7.310 761 HZ3 TRP 92 HZ3 TRP 92 -5.651 5.783 -4.606 762 HH2 TRP 92 HH2 TRP 92 -5.813 8.082 -5.414 763 H THR 93 H THR 93 -1.754 1.059 -10.608 764 HA THR 93 HA THR 93 -1.172 -1.297 -8.933 765 HB THR 93 HB THR 93 -0.857 -2.458 -11.178 766 HG1 THR 93 HG1 THR 93 -0.479 -0.575 -12.448 767 HG21 THR 93 1HG2 THR 93 -3.001 -2.648 -9.962 768 HG22 THR 93 2HG2 THR 93 -3.270 -2.591 -11.704 769 HG23 THR 93 3HG2 THR 93 -3.573 -1.158 -10.722 770 H PHE 94 H PHE 94 0.768 -1.079 -8.009 771 HA PHE 94 HA PHE 94 3.109 -0.111 -9.520 772 HB2 PHE 94 2HB PHE 94 2.668 -0.505 -6.527 773 HB3 PHE 94 3HB PHE 94 4.200 -0.011 -7.242 774 HD1 PHE 94 HD1 PHE 94 4.327 2.189 -8.504 775 HD2 PHE 94 HD2 PHE 94 0.940 1.121 -6.120 776 HE1 PHE 94 HE1 PHE 94 3.640 4.545 -8.417 777 HE2 PHE 94 HE2 PHE 94 0.271 3.485 -6.033 778 HZ PHE 94 HZ PHE 94 1.614 5.199 -7.180 779 H ASN 95 H ASN 95 4.007 -1.743 -10.581 780 HA ASN 95 HA ASN 95 4.559 -4.327 -9.238 781 HB2 ASN 95 2HB ASN 95 4.814 -3.511 -12.178 782 HB3 ASN 95 3HB ASN 95 5.202 -5.105 -11.539 783 HD21 ASN 95 1HD2 ASN 95 3.524 -6.491 -10.944 784 HD22 ASN 95 2HD2 ASN 95 1.881 -6.211 -11.410 785 H GLU 96 H GLU 96 6.772 -5.137 -9.256 786 HA GLU 96 HA GLU 96 8.744 -3.104 -8.792 787 HB2 GLU 96 2HB GLU 96 10.336 -5.007 -8.423 788 HB3 GLU 96 3HB GLU 96 8.889 -5.061 -7.437 789 HG2 GLU 96 2HG GLU 96 9.148 -7.286 -8.018 790 HG3 GLU 96 3HG GLU 96 7.993 -6.733 -9.229 791 H LYS 97 H LYS 97 10.936 -3.208 -9.870 792 HA LYS 97 HA LYS 97 10.572 -1.708 -12.055 793 HB2 LYS 97 2HB LYS 97 12.926 -1.535 -12.323 794 HB3 LYS 97 3HB LYS 97 12.632 -1.799 -10.618 795 HG2 LYS 97 2HG LYS 97 13.726 -3.812 -12.601 796 HG3 LYS 97 3HG LYS 97 14.637 -2.975 -11.351 797 HD2 LYS 97 2HD LYS 97 12.419 -5.000 -10.870 798 HD3 LYS 97 3HD LYS 97 14.147 -5.342 -10.776 799 HE2 LYS 97 2HE LYS 97 14.342 -3.739 -8.892 800 HE3 LYS 97 3HE LYS 97 12.603 -3.436 -8.983 801 HZ1 LYS 97 1HZ LYS 97 13.121 -5.051 -7.276 802 HZ2 LYS 97 2HZ LYS 97 13.883 -6.050 -8.402 803 HZ3 LYS 97 3HZ LYS 97 12.219 -5.784 -8.508 Start of MODEL 5 1 H1 MET 1 1H MET 1 1.447 -10.021 -28.796 2 H2 MET 1 2H MET 1 1.964 -9.162 -30.152 3 H3 MET 1 3H MET 1 3.098 -9.786 -29.068 4 HA MET 1 HA MET 1 1.268 -11.351 -30.781 5 HB2 MET 1 2HB MET 1 3.172 -10.247 -31.991 6 HB3 MET 1 3HB MET 1 4.302 -11.058 -30.917 7 HG2 MET 1 2HG MET 1 3.504 -13.251 -31.788 8 HG3 MET 1 3HG MET 1 2.450 -12.392 -32.910 9 HE1 MET 1 1HE MET 1 5.145 -10.565 -35.189 10 HE2 MET 1 2HE MET 1 4.466 -9.887 -33.710 11 HE3 MET 1 3HE MET 1 3.423 -10.745 -34.845 12 H GLY 2 H GLY 2 3.778 -11.350 -28.266 13 HA2 GLY 2 2HA GLY 2 2.765 -13.687 -26.981 14 HA3 GLY 2 3HA GLY 2 4.216 -14.063 -27.904 15 H HIS 3 H HIS 3 2.943 -12.416 -25.109 16 HA HIS 3 HA HIS 3 5.649 -11.816 -24.108 17 HB2 HIS 3 2HB HIS 3 2.866 -11.061 -23.163 18 HB3 HIS 3 3HB HIS 3 4.242 -10.939 -22.071 19 HD1 HIS 3 HD1 HIS 3 2.593 -9.211 -24.896 20 HD2 HIS 3 HD2 HIS 3 6.192 -8.996 -22.841 21 HE1 HIS 3 HE1 HIS 3 3.604 -7.009 -25.540 22 HE2 HIS 3 HE2 HIS 3 5.812 -6.939 -24.346 23 H HIS 4 H HIS 4 6.559 -13.664 -23.538 24 HA HIS 4 HA HIS 4 5.663 -15.063 -21.176 25 HB2 HIS 4 2HB HIS 4 4.487 -16.388 -22.908 26 HB3 HIS 4 3HB HIS 4 5.979 -16.566 -23.825 27 HD1 HIS 4 HD1 HIS 4 7.055 -18.763 -23.488 28 HD2 HIS 4 HD2 HIS 4 4.886 -17.615 -20.132 29 HE1 HIS 4 HE1 HIS 4 7.270 -20.657 -21.865 30 HE2 HIS 4 HE2 HIS 4 5.907 -19.971 -19.876 31 H HIS 5 H HIS 5 7.480 -15.313 -19.993 32 HA HIS 5 HA HIS 5 9.965 -14.373 -20.948 33 HB2 HIS 5 2HB HIS 5 9.083 -14.268 -18.533 34 HB3 HIS 5 3HB HIS 5 9.596 -15.941 -18.364 35 HD1 HIS 5 HD1 HIS 5 11.348 -15.250 -16.541 36 HD2 HIS 5 HD2 HIS 5 11.931 -13.418 -20.228 37 HE1 HIS 5 HE1 HIS 5 13.575 -14.090 -16.382 38 HE2 HIS 5 HE2 HIS 5 13.948 -13.114 -18.665 39 H HIS 6 H HIS 6 10.934 -15.507 -22.500 40 HA HIS 6 HA HIS 6 10.992 -18.374 -22.682 41 HB2 HIS 6 2HB HIS 6 10.970 -16.936 -24.696 42 HB3 HIS 6 3HB HIS 6 12.525 -16.248 -24.243 43 HD1 HIS 6 HD1 HIS 6 14.594 -17.505 -24.993 44 HD2 HIS 6 HD2 HIS 6 11.110 -19.714 -25.501 45 HE1 HIS 6 HE1 HIS 6 15.277 -19.567 -26.249 46 HE2 HIS 6 HE2 HIS 6 13.193 -20.966 -26.377 47 H HIS 7 H HIS 7 13.476 -15.866 -22.136 48 HA HIS 7 HA HIS 7 15.538 -17.780 -21.491 49 HB2 HIS 7 2HB HIS 7 15.966 -15.559 -22.632 50 HB3 HIS 7 3HB HIS 7 15.552 -14.742 -21.132 51 HD1 HIS 7 HD1 HIS 7 18.286 -16.633 -22.813 52 HD2 HIS 7 HD2 HIS 7 17.554 -14.899 -19.106 53 HE1 HIS 7 HE1 HIS 7 20.509 -16.534 -21.657 54 HE2 HIS 7 HE2 HIS 7 20.014 -15.611 -19.373 55 H HIS 8 H HIS 8 14.717 -18.921 -19.726 56 HA HIS 8 HA HIS 8 13.805 -17.747 -17.286 57 HB2 HIS 8 2HB HIS 8 14.712 -20.547 -18.045 58 HB3 HIS 8 3HB HIS 8 14.308 -20.144 -16.380 59 HD1 HIS 8 HD1 HIS 8 12.206 -21.494 -16.161 60 HD2 HIS 8 HD2 HIS 8 12.119 -18.972 -19.460 61 HE1 HIS 8 HE1 HIS 8 9.861 -21.633 -17.050 62 HE2 HIS 8 HE2 HIS 8 9.814 -20.017 -18.982 63 H GLU 9 H GLU 9 15.299 -16.200 -16.700 64 HA GLU 9 HA GLU 9 18.109 -16.820 -16.346 65 HB2 GLU 9 2HB GLU 9 17.274 -14.605 -17.246 66 HB3 GLU 9 3HB GLU 9 16.593 -14.267 -15.659 67 HG2 GLU 9 2HG GLU 9 18.693 -13.091 -15.901 68 HG3 GLU 9 3HG GLU 9 18.884 -14.354 -14.685 69 H ASN 10 H ASN 10 18.084 -18.375 -14.716 70 HA ASN 10 HA ASN 10 16.899 -17.913 -12.126 71 HB2 ASN 10 2HB ASN 10 17.102 -20.206 -12.946 72 HB3 ASN 10 3HB ASN 10 18.844 -20.037 -13.132 73 HD21 ASN 10 1HD2 ASN 10 16.247 -20.141 -10.721 74 HD22 ASN 10 2HD2 ASN 10 17.236 -20.733 -9.432 75 H LEU 11 H LEU 11 17.836 -15.806 -11.794 76 HA LEU 11 HA LEU 11 20.450 -15.955 -10.419 77 HB2 LEU 11 2HB LEU 11 19.480 -13.702 -12.223 78 HB3 LEU 11 3HB LEU 11 20.789 -13.501 -11.072 79 HG LEU 11 HG LEU 11 20.791 -15.300 -13.529 80 HD11 LEU 11 1HD1 LEU 11 21.115 -12.926 -14.031 81 HD12 LEU 11 2HD1 LEU 11 22.595 -13.836 -14.319 82 HD13 LEU 11 3HD1 LEU 11 22.443 -12.839 -12.869 83 HD21 LEU 11 1HD2 LEU 11 23.111 -15.890 -12.955 84 HD22 LEU 11 2HD2 LEU 11 21.985 -16.441 -11.717 85 HD23 LEU 11 3HD2 LEU 11 22.970 -15.004 -11.432 86 H TYR 12 H TYR 12 19.361 -16.317 -8.528 87 HA TYR 12 HA TYR 12 17.759 -14.112 -7.391 88 HB2 TYR 12 2HB TYR 12 18.132 -17.007 -6.476 89 HB3 TYR 12 3HB TYR 12 17.202 -15.796 -5.591 90 HD1 TYR 12 HD1 TYR 12 15.134 -14.793 -6.655 91 HD2 TYR 12 HD2 TYR 12 17.141 -18.153 -8.383 92 HE1 TYR 12 HE1 TYR 12 13.156 -15.265 -8.032 93 HE2 TYR 12 HE2 TYR 12 15.156 -18.629 -9.756 94 HH TYR 12 HH TYR 12 12.628 -16.424 -10.170 95 H PHE 13 H PHE 13 20.742 -14.317 -7.879 96 HA PHE 13 HA PHE 13 21.961 -13.993 -5.281 97 HB2 PHE 13 2HB PHE 13 22.942 -13.273 -8.087 98 HB3 PHE 13 3HB PHE 13 23.932 -13.214 -6.633 99 HD1 PHE 13 HD1 PHE 13 22.233 -15.469 -9.040 100 HD2 PHE 13 HD2 PHE 13 24.844 -15.249 -5.655 101 HE1 PHE 13 HE1 PHE 13 22.859 -17.825 -9.365 102 HE2 PHE 13 HE2 PHE 13 25.464 -17.606 -5.990 103 HZ PHE 13 HZ PHE 13 24.473 -18.896 -7.840 104 H GLN 14 H GLN 14 20.159 -12.511 -4.657 105 HA GLN 14 HA GLN 14 20.156 -9.827 -5.871 106 HB2 GLN 14 2HB GLN 14 18.183 -11.161 -3.960 107 HB3 GLN 14 3HB GLN 14 17.976 -9.574 -4.695 108 HG2 GLN 14 2HG GLN 14 17.725 -10.540 -6.892 109 HG3 GLN 14 3HG GLN 14 18.174 -12.140 -6.303 110 HE21 GLN 14 1HE2 GLN 14 15.698 -11.285 -7.672 111 HE22 GLN 14 2HE2 GLN 14 14.406 -11.719 -6.608 112 H SER 15 H SER 15 21.475 -8.387 -4.800 113 HA SER 15 HA SER 15 21.843 -8.339 -1.945 114 HB2 SER 15 2HB SER 15 22.134 -6.036 -3.943 115 HB3 SER 15 3HB SER 15 22.803 -6.102 -2.309 116 HG SER 15 HG SER 15 23.515 -7.698 -4.549 117 H HIS 16 H HIS 16 19.743 -8.625 -1.137 118 HA HIS 16 HA HIS 16 17.538 -7.460 -2.574 119 HB2 HIS 16 2HB HIS 16 17.620 -9.868 -1.715 120 HB3 HIS 16 3HB HIS 16 17.336 -9.226 -0.098 121 HD1 HIS 16 HD1 HIS 16 15.052 -7.525 -0.111 122 HD2 HIS 16 HD2 HIS 16 15.288 -10.568 -2.930 123 HE1 HIS 16 HE1 HIS 16 12.731 -7.847 -0.959 124 HE2 HIS 16 HE2 HIS 16 12.856 -9.842 -2.465 125 H MET 17 H MET 17 18.052 -5.284 -2.047 126 HA MET 17 HA MET 17 16.960 -4.288 0.495 127 HB2 MET 17 2HB MET 17 19.016 -3.198 -0.420 128 HB3 MET 17 3HB MET 17 18.172 -2.827 -1.917 129 HG2 MET 17 2HG MET 17 18.336 -0.844 -0.503 130 HG3 MET 17 3HG MET 17 16.649 -1.328 -0.678 131 HE1 MET 17 1HE MET 17 19.110 -2.170 3.157 132 HE2 MET 17 2HE MET 17 19.793 -1.380 1.738 133 HE3 MET 17 3HE MET 17 19.334 -3.083 1.665 134 H THR 18 H THR 18 14.903 -3.383 0.539 135 HA THR 18 HA THR 18 13.040 -3.931 -1.515 136 HB THR 18 HB THR 18 12.720 -1.888 0.732 137 HG1 THR 18 HG1 THR 18 12.986 -4.596 0.853 138 HG21 THR 18 1HG2 THR 18 10.663 -3.517 -0.814 139 HG22 THR 18 2HG2 THR 18 10.935 -1.781 -0.978 140 HG23 THR 18 3HG2 THR 18 10.309 -2.436 0.536 141 H ASP 19 H ASP 19 12.225 -2.641 -3.136 142 HA ASP 19 HA ASP 19 13.730 -0.441 -4.142 143 HB2 ASP 19 2HB ASP 19 12.432 -1.984 -5.604 144 HB3 ASP 19 3HB ASP 19 10.932 -1.424 -4.877 145 H GLU 20 H GLU 20 12.770 1.733 -4.587 146 HA GLU 20 HA GLU 20 11.936 3.022 -2.197 147 HB2 GLU 20 2HB GLU 20 11.913 5.091 -3.515 148 HB3 GLU 20 3HB GLU 20 13.355 4.146 -3.871 149 HG2 GLU 20 2HG GLU 20 12.413 3.395 -5.990 150 HG3 GLU 20 3HG GLU 20 10.875 4.174 -5.622 151 H LEU 21 H LEU 21 10.028 1.237 -4.304 152 HA LEU 21 HA LEU 21 7.685 2.602 -4.669 153 HB2 LEU 21 2HB LEU 21 6.530 0.388 -4.691 154 HB3 LEU 21 3HB LEU 21 7.972 0.471 -5.677 155 HG LEU 21 HG LEU 21 9.169 -0.714 -3.662 156 HD11 LEU 21 1HD1 LEU 21 6.309 -1.499 -3.026 157 HD12 LEU 21 2HD1 LEU 21 7.378 -0.542 -2.000 158 HD13 LEU 21 3HD1 LEU 21 7.763 -2.227 -2.336 159 HD21 LEU 21 1HD2 LEU 21 8.601 -2.927 -4.555 160 HD22 LEU 21 2HD2 LEU 21 8.858 -1.755 -5.844 161 HD23 LEU 21 3HD2 LEU 21 7.216 -2.236 -5.410 162 H LEU 22 H LEU 22 8.881 1.270 -1.635 163 HA LEU 22 HA LEU 22 6.619 1.480 -0.011 164 HB2 LEU 22 2HB LEU 22 9.491 2.188 0.732 165 HB3 LEU 22 3HB LEU 22 8.193 1.916 1.880 166 HG LEU 22 HG LEU 22 9.503 -0.140 0.076 167 HD11 LEU 22 1HD1 LEU 22 10.778 0.445 2.074 168 HD12 LEU 22 2HD1 LEU 22 10.164 -1.201 2.182 169 HD13 LEU 22 3HD1 LEU 22 9.381 0.091 3.098 170 HD21 LEU 22 1HD2 LEU 22 7.110 -0.639 0.122 171 HD22 LEU 22 2HD2 LEU 22 7.096 -0.553 1.885 172 HD23 LEU 22 3HD2 LEU 22 8.005 -1.828 1.069 173 H GLU 23 H GLU 23 9.130 3.912 -0.645 174 HA GLU 23 HA GLU 23 7.942 6.036 0.790 175 HB2 GLU 23 2HB GLU 23 10.405 5.734 0.158 176 HB3 GLU 23 3HB GLU 23 9.986 6.278 -1.458 177 HG2 GLU 23 2HG GLU 23 8.979 8.214 0.445 178 HG3 GLU 23 3HG GLU 23 10.655 7.866 0.848 179 H ARG 24 H ARG 24 7.742 4.981 -2.571 180 HA ARG 24 HA ARG 24 6.420 7.208 -3.712 181 HB2 ARG 24 2HB ARG 24 6.212 4.270 -4.498 182 HB3 ARG 24 3HB ARG 24 5.741 5.623 -5.514 183 HG2 ARG 24 2HG ARG 24 8.589 5.249 -4.555 184 HG3 ARG 24 3HG ARG 24 7.981 4.464 -6.009 185 HD2 ARG 24 2HD ARG 24 9.235 6.554 -6.484 186 HD3 ARG 24 3HD ARG 24 7.572 6.602 -7.060 187 HE ARG 24 HE ARG 24 7.156 8.347 -5.674 188 HH11 ARG 24 1HH1 ARG 24 10.174 6.887 -4.546 189 HH12 ARG 24 2HH1 ARG 24 10.474 8.158 -3.401 190 HH21 ARG 24 1HH2 ARG 24 7.574 9.958 -4.173 191 HH22 ARG 24 2HH2 ARG 24 9.005 9.892 -3.192 192 H LEU 25 H LEU 25 5.299 4.358 -1.940 193 HA LEU 25 HA LEU 25 2.487 4.937 -2.366 194 HB2 LEU 25 2HB LEU 25 4.031 2.754 -0.996 195 HB3 LEU 25 3HB LEU 25 2.416 3.074 -0.391 196 HG LEU 25 HG LEU 25 1.513 2.721 -2.717 197 HD11 LEU 25 1HD1 LEU 25 3.513 3.194 -4.016 198 HD12 LEU 25 2HD1 LEU 25 2.873 1.598 -4.395 199 HD13 LEU 25 3HD1 LEU 25 4.297 1.752 -3.367 200 HD21 LEU 25 1HD2 LEU 25 1.414 0.961 -1.027 201 HD22 LEU 25 2HD2 LEU 25 3.003 0.374 -1.522 202 HD23 LEU 25 3HD2 LEU 25 1.639 0.282 -2.638 203 H ARG 26 H ARG 26 4.947 5.586 0.065 204 HA ARG 26 HA ARG 26 3.284 6.283 2.222 205 HB2 ARG 26 2HB ARG 26 5.862 6.011 2.239 206 HB3 ARG 26 3HB ARG 26 5.939 7.658 1.615 207 HG2 ARG 26 2HG ARG 26 4.348 8.137 3.738 208 HG3 ARG 26 3HG ARG 26 5.131 6.678 4.340 209 HD2 ARG 26 2HD ARG 26 6.403 8.518 5.166 210 HD3 ARG 26 3HD ARG 26 7.360 7.827 3.849 211 HE ARG 26 HE ARG 26 6.885 9.700 2.522 212 HH11 ARG 26 1HH1 ARG 26 5.320 10.006 5.665 213 HH12 ARG 26 2HH1 ARG 26 4.985 11.696 5.476 214 HH21 ARG 26 1HH2 ARG 26 6.360 11.915 2.259 215 HH22 ARG 26 2HH2 ARG 26 5.574 12.772 3.548 216 H GLN 27 H GLN 27 4.673 8.240 -0.429 217 HA GLN 27 HA GLN 27 3.602 10.745 0.333 218 HB2 GLN 27 2HB GLN 27 4.147 9.886 -2.536 219 HB3 GLN 27 3HB GLN 27 4.134 11.526 -1.902 220 HG2 GLN 27 2HG GLN 27 6.193 9.375 -1.397 221 HG3 GLN 27 3HG GLN 27 6.405 10.864 -2.307 222 HE21 GLN 27 1HE2 GLN 27 7.889 9.800 -0.018 223 HE22 GLN 27 2HE2 GLN 27 7.837 11.033 1.192 224 H LEU 28 H LEU 28 2.344 8.102 -1.616 225 HA LEU 28 HA LEU 28 -0.004 9.320 -2.591 226 HB2 LEU 28 2HB LEU 28 0.906 7.271 -3.581 227 HB3 LEU 28 3HB LEU 28 0.655 6.397 -2.080 228 HG LEU 28 HG LEU 28 -1.791 6.530 -2.363 229 HD11 LEU 28 1HD1 LEU 28 -1.260 7.997 -4.962 230 HD12 LEU 28 2HD1 LEU 28 -1.977 8.683 -3.503 231 HD13 LEU 28 3HD1 LEU 28 -2.829 7.422 -4.389 232 HD21 LEU 28 1HD2 LEU 28 -0.623 4.605 -3.331 233 HD22 LEU 28 2HD2 LEU 28 -0.412 5.475 -4.854 234 HD23 LEU 28 3HD2 LEU 28 -2.031 5.040 -4.303 235 H PHE 29 H PHE 29 0.593 7.318 0.325 236 HA PHE 29 HA PHE 29 -2.103 7.250 1.224 237 HB2 PHE 29 2HB PHE 29 0.438 6.894 2.878 238 HB3 PHE 29 3HB PHE 29 -1.181 6.418 3.371 239 HD1 PHE 29 HD1 PHE 29 -1.889 5.218 0.505 240 HD2 PHE 29 HD2 PHE 29 1.373 4.694 3.236 241 HE1 PHE 29 HE1 PHE 29 -1.481 2.964 -0.390 242 HE2 PHE 29 HE2 PHE 29 1.765 2.444 2.325 243 HZ PHE 29 HZ PHE 29 0.337 1.578 0.521 244 H GLU 30 H GLU 30 0.644 9.348 1.940 245 HA GLU 30 HA GLU 30 -0.474 10.994 3.925 246 HB2 GLU 30 2HB GLU 30 1.695 11.513 1.846 247 HB3 GLU 30 3HB GLU 30 1.270 12.693 3.079 248 HG2 GLU 30 2HG GLU 30 2.185 9.885 3.742 249 HG3 GLU 30 3HG GLU 30 3.293 11.236 3.551 250 H GLU 31 H GLU 31 -0.539 11.179 0.367 251 HA GLU 31 HA GLU 31 -1.871 13.673 0.140 252 HB2 GLU 31 2HB GLU 31 -0.716 12.554 -1.789 253 HB3 GLU 31 3HB GLU 31 -1.976 11.322 -1.806 254 HG2 GLU 31 2HG GLU 31 -3.611 13.376 -2.060 255 HG3 GLU 31 3HG GLU 31 -2.167 14.237 -2.577 256 H LEU 32 H LEU 32 -3.040 10.314 0.095 257 HA LEU 32 HA LEU 32 -5.793 10.811 -0.229 258 HB2 LEU 32 2HB LEU 32 -4.353 8.453 1.045 259 HB3 LEU 32 3HB LEU 32 -6.051 8.448 0.584 260 HG LEU 32 HG LEU 32 -3.786 8.864 -1.409 261 HD11 LEU 32 1HD1 LEU 32 -4.081 6.535 -2.110 262 HD12 LEU 32 2HD1 LEU 32 -5.221 6.270 -0.788 263 HD13 LEU 32 3HD1 LEU 32 -3.532 6.645 -0.438 264 HD21 LEU 32 1HD2 LEU 32 -5.473 8.355 -3.102 265 HD22 LEU 32 2HD2 LEU 32 -5.932 9.762 -2.146 266 HD23 LEU 32 3HD2 LEU 32 -6.708 8.202 -1.851 267 H HIS 33 H HIS 33 -3.729 10.780 2.550 268 HA HIS 33 HA HIS 33 -5.527 10.563 4.685 269 HB2 HIS 33 2HB HIS 33 -2.978 10.368 4.714 270 HB3 HIS 33 3HB HIS 33 -2.906 12.124 4.691 271 HD1 HIS 33 HD1 HIS 33 -2.507 13.017 6.959 272 HD2 HIS 33 HD2 HIS 33 -4.717 9.503 7.062 273 HE1 HIS 33 HE1 HIS 33 -2.875 12.524 9.393 274 HE2 HIS 33 HE2 HIS 33 -4.287 10.442 9.423 275 H GLU 34 H GLU 34 -5.027 13.204 2.494 276 HA GLU 34 HA GLU 34 -5.705 15.446 4.029 277 HB2 GLU 34 2HB GLU 34 -6.145 16.622 1.976 278 HB3 GLU 34 3HB GLU 34 -4.842 15.490 1.637 279 HG2 GLU 34 2HG GLU 34 -6.490 13.943 0.594 280 HG3 GLU 34 3HG GLU 34 -7.758 15.127 0.888 281 H ARG 35 H ARG 35 -7.807 12.966 2.591 282 HA ARG 35 HA ARG 35 -10.103 14.134 4.100 283 HB2 ARG 35 2HB ARG 35 -11.627 12.892 2.591 284 HB3 ARG 35 3HB ARG 35 -10.678 14.094 1.745 285 HG2 ARG 35 2HG ARG 35 -9.651 11.278 1.726 286 HG3 ARG 35 3HG ARG 35 -11.094 11.625 0.776 287 HD2 ARG 35 2HD ARG 35 -8.420 13.036 0.502 288 HD3 ARG 35 3HD ARG 35 -9.056 11.791 -0.576 289 HE ARG 35 HE ARG 35 -10.857 13.994 -0.323 290 HH11 ARG 35 1HH1 ARG 35 -7.942 12.995 -2.048 291 HH12 ARG 35 2HH1 ARG 35 -8.227 14.072 -3.378 292 HH21 ARG 35 1HH2 ARG 35 -11.199 15.405 -2.066 293 HH22 ARG 35 2HH2 ARG 35 -10.068 15.431 -3.384 294 H GLY 36 H GLY 36 -8.048 11.401 3.620 295 HA2 GLY 36 2HA GLY 36 -7.754 9.529 4.976 296 HA3 GLY 36 3HA GLY 36 -9.265 9.888 5.813 297 H THR 37 H THR 37 -8.354 9.433 2.417 298 HA THR 37 HA THR 37 -10.715 8.436 1.434 299 HB THR 37 HB THR 37 -8.026 7.601 0.265 300 HG1 THR 37 HG1 THR 37 -7.882 9.726 -0.612 301 HG21 THR 37 1HG2 THR 37 -10.542 8.701 -1.018 302 HG22 THR 37 2HG2 THR 37 -10.103 6.992 -0.958 303 HG23 THR 37 3HG2 THR 37 -9.103 8.131 -1.861 304 H GLU 38 H GLU 38 -11.371 6.333 0.751 305 HA GLU 38 HA GLU 38 -10.804 3.998 2.193 306 HB2 GLU 38 2HB GLU 38 -11.798 2.821 0.104 307 HB3 GLU 38 3HB GLU 38 -12.823 4.012 0.896 308 HG2 GLU 38 2HG GLU 38 -12.446 5.636 -0.805 309 HG3 GLU 38 3HG GLU 38 -11.089 4.734 -1.467 310 H ILE 39 H ILE 39 -8.475 3.833 2.387 311 HA ILE 39 HA ILE 39 -6.892 3.362 -0.048 312 HB ILE 39 HB ILE 39 -5.885 3.362 2.837 313 HG12 ILE 39 2HG1 ILE 39 -5.825 5.704 0.879 314 HG13 ILE 39 3HG1 ILE 39 -6.916 5.578 2.249 315 HG21 ILE 39 1HG2 ILE 39 -4.410 2.218 1.234 316 HG22 ILE 39 2HG2 ILE 39 -3.668 3.719 1.793 317 HG23 ILE 39 3HG2 ILE 39 -4.410 3.645 0.192 318 HD11 ILE 39 1HD1 ILE 39 -3.906 5.779 2.397 319 HD12 ILE 39 2HD1 ILE 39 -4.997 5.618 3.778 320 HD13 ILE 39 3HD1 ILE 39 -5.077 7.051 2.754 321 H VAL 40 H VAL 40 -7.009 1.330 -0.803 322 HA VAL 40 HA VAL 40 -6.981 -0.954 1.085 323 HB VAL 40 HB VAL 40 -8.034 -0.942 -1.782 324 HG11 VAL 40 1HG1 VAL 40 -8.907 -3.200 -1.230 325 HG12 VAL 40 2HG1 VAL 40 -8.096 -3.121 0.335 326 HG13 VAL 40 3HG1 VAL 40 -7.145 -3.127 -1.154 327 HG21 VAL 40 1HG2 VAL 40 -9.611 -0.965 0.819 328 HG22 VAL 40 2HG2 VAL 40 -10.294 -1.128 -0.801 329 HG23 VAL 40 3HG2 VAL 40 -9.509 0.382 -0.323 330 H VAL 41 H VAL 41 -4.885 -1.480 1.254 331 HA VAL 41 HA VAL 41 -3.108 -1.529 -1.079 332 HB VAL 41 HB VAL 41 -2.542 -2.100 1.874 333 HG11 VAL 41 1HG1 VAL 41 -0.595 -1.654 -0.417 334 HG12 VAL 41 2HG1 VAL 41 -0.893 -3.185 0.412 335 HG13 VAL 41 3HG1 VAL 41 -0.161 -1.837 1.286 336 HG21 VAL 41 1HG2 VAL 41 -3.277 0.213 1.547 337 HG22 VAL 41 2HG2 VAL 41 -2.087 0.438 0.262 338 HG23 VAL 41 3HG2 VAL 41 -1.553 0.173 1.920 339 H GLU 42 H GLU 42 -3.195 -3.319 -2.265 340 HA GLU 42 HA GLU 42 -3.833 -5.948 -1.056 341 HB2 GLU 42 2HB GLU 42 -5.724 -4.992 -2.331 342 HB3 GLU 42 3HB GLU 42 -4.688 -4.771 -3.738 343 HG2 GLU 42 2HG GLU 42 -4.427 -7.225 -3.915 344 HG3 GLU 42 3HG GLU 42 -5.495 -7.436 -2.525 345 H VAL 43 H VAL 43 -1.986 -7.104 -1.118 346 HA VAL 43 HA VAL 43 0.104 -6.485 -3.099 347 HB VAL 43 HB VAL 43 0.359 -8.070 -0.494 348 HG11 VAL 43 1HG1 VAL 43 2.474 -6.734 -2.219 349 HG12 VAL 43 2HG1 VAL 43 2.190 -8.471 -2.070 350 HG13 VAL 43 3HG1 VAL 43 2.767 -7.550 -0.679 351 HG21 VAL 43 1HG2 VAL 43 1.207 -6.014 0.569 352 HG22 VAL 43 2HG2 VAL 43 -0.460 -5.808 0.026 353 HG23 VAL 43 3HG2 VAL 43 0.862 -5.099 -0.902 354 H HIS 44 H HIS 44 -0.255 -7.754 -4.855 355 HA HIS 44 HA HIS 44 -0.949 -10.602 -4.636 356 HB2 HIS 44 2HB HIS 44 -0.538 -8.844 -7.085 357 HB3 HIS 44 3HB HIS 44 -1.098 -10.502 -7.123 358 HD1 HIS 44 HD1 HIS 44 -3.561 -10.859 -6.998 359 HD2 HIS 44 HD2 HIS 44 -2.460 -6.988 -5.976 360 HE1 HIS 44 HE1 HIS 44 -5.694 -9.540 -6.952 361 HE2 HIS 44 HE2 HIS 44 -4.949 -7.167 -6.600 362 H ILE 45 H ILE 45 0.906 -11.642 -3.928 363 HA ILE 45 HA ILE 45 3.361 -11.408 -5.586 364 HB ILE 45 HB ILE 45 3.036 -11.784 -2.596 365 HG12 ILE 45 2HG1 ILE 45 4.599 -9.892 -4.389 366 HG13 ILE 45 3HG1 ILE 45 3.324 -9.498 -3.241 367 HG21 ILE 45 1HG2 ILE 45 5.378 -12.439 -2.340 368 HG22 ILE 45 2HG2 ILE 45 5.591 -12.456 -4.088 369 HG23 ILE 45 3HG2 ILE 45 4.524 -13.634 -3.322 370 HD11 ILE 45 1HD1 ILE 45 6.151 -10.327 -2.630 371 HD12 ILE 45 2HD1 ILE 45 4.881 -10.167 -1.417 372 HD13 ILE 45 3HD1 ILE 45 5.384 -8.763 -2.350 373 H ASN 46 H ASN 46 3.470 -13.050 -6.906 374 HA ASN 46 HA ASN 46 3.483 -15.100 -7.849 375 HB2 ASN 46 2HB ASN 46 4.526 -15.775 -5.067 376 HB3 ASN 46 3HB ASN 46 4.599 -16.887 -6.427 377 HD21 ASN 46 1HD2 ASN 46 5.910 -13.963 -5.087 378 HD22 ASN 46 2HD2 ASN 46 7.246 -13.815 -6.154 379 H GLY 47 H GLY 47 0.876 -14.383 -6.642 380 HA2 GLY 47 2HA GLY 47 -0.999 -15.860 -7.309 381 HA3 GLY 47 3HA GLY 47 -0.258 -17.125 -6.342 382 H GLU 48 H GLU 48 0.468 -15.272 -4.167 383 HA GLU 48 HA GLU 48 -2.027 -15.445 -2.700 384 HB2 GLU 48 2HB GLU 48 0.711 -14.409 -1.826 385 HB3 GLU 48 3HB GLU 48 -0.662 -14.667 -0.756 386 HG2 GLU 48 2HG GLU 48 0.898 -16.774 -2.264 387 HG3 GLU 48 3HG GLU 48 0.894 -16.498 -0.523 388 H ARG 49 H ARG 49 -3.200 -13.742 -1.844 389 HA ARG 49 HA ARG 49 -2.495 -10.976 -2.664 390 HB2 ARG 49 2HB ARG 49 -4.968 -10.492 -2.747 391 HB3 ARG 49 3HB ARG 49 -4.436 -11.631 -3.977 392 HG2 ARG 49 2HG ARG 49 -5.386 -13.496 -2.764 393 HG3 ARG 49 3HG ARG 49 -5.761 -12.472 -1.378 394 HD2 ARG 49 2HD ARG 49 -7.400 -11.229 -2.713 395 HD3 ARG 49 3HD ARG 49 -6.996 -12.185 -4.145 396 HE ARG 49 HE ARG 49 -7.712 -14.116 -2.448 397 HH11 ARG 49 1HH1 ARG 49 -9.365 -11.079 -3.152 398 HH12 ARG 49 2HH1 ARG 49 -10.938 -11.729 -2.820 399 HH21 ARG 49 1HH2 ARG 49 -9.804 -14.931 -2.012 400 HH22 ARG 49 2HH2 ARG 49 -11.182 -13.886 -2.180 401 H ASP 50 H ASP 50 -2.044 -9.744 -0.956 402 HA ASP 50 HA ASP 50 -3.109 -10.392 1.733 403 HB2 ASP 50 2HB ASP 50 -0.594 -10.208 1.417 404 HB3 ASP 50 3HB ASP 50 -0.823 -8.530 0.953 405 H GLU 51 H GLU 51 -4.894 -9.203 2.229 406 HA GLU 51 HA GLU 51 -5.387 -6.661 0.788 407 HB2 GLU 51 2HB GLU 51 -7.029 -8.523 0.436 408 HB3 GLU 51 3HB GLU 51 -7.417 -8.487 2.154 409 HG2 GLU 51 2HG GLU 51 -8.153 -6.099 1.883 410 HG3 GLU 51 3HG GLU 51 -7.880 -6.248 0.147 411 H ILE 52 H ILE 52 -4.986 -4.918 1.948 412 HA ILE 52 HA ILE 52 -5.724 -4.776 4.822 413 HB ILE 52 HB ILE 52 -3.774 -2.860 3.442 414 HG12 ILE 52 2HG1 ILE 52 -2.913 -5.313 5.045 415 HG13 ILE 52 3HG1 ILE 52 -2.896 -5.247 3.288 416 HG21 ILE 52 1HG2 ILE 52 -4.244 -3.570 6.369 417 HG22 ILE 52 2HG2 ILE 52 -4.780 -2.098 5.554 418 HG23 ILE 52 3HG2 ILE 52 -3.057 -2.405 5.777 419 HD11 ILE 52 1HD1 ILE 52 -0.698 -4.857 4.199 420 HD12 ILE 52 2HD1 ILE 52 -1.291 -3.483 5.132 421 HD13 ILE 52 3HD1 ILE 52 -1.282 -3.417 3.366 422 H ARG 53 H ARG 53 -7.679 -3.694 4.949 423 HA ARG 53 HA ARG 53 -8.204 -1.457 3.061 424 HB2 ARG 53 2HB ARG 53 -10.238 -3.156 4.569 425 HB3 ARG 53 3HB ARG 53 -10.612 -1.820 3.480 426 HG2 ARG 53 2HG ARG 53 -9.484 -3.134 1.633 427 HG3 ARG 53 3HG ARG 53 -9.383 -4.492 2.756 428 HD2 ARG 53 2HD ARG 53 -11.915 -3.143 1.770 429 HD3 ARG 53 3HD ARG 53 -11.328 -4.744 1.310 430 HE ARG 53 HE ARG 53 -11.569 -5.188 3.862 431 HH11 ARG 53 1HH1 ARG 53 -13.777 -3.240 1.908 432 HH12 ARG 53 2HH1 ARG 53 -15.150 -3.574 2.913 433 HH21 ARG 53 1HH2 ARG 53 -13.396 -5.599 5.163 434 HH22 ARG 53 2HH2 ARG 53 -14.930 -4.908 4.753 435 H VAL 54 H VAL 54 -7.772 0.386 3.994 436 HA VAL 54 HA VAL 54 -8.750 1.019 6.713 437 HB VAL 54 HB VAL 54 -6.754 2.477 7.054 438 HG11 VAL 54 1HG1 VAL 54 -5.104 0.728 7.563 439 HG12 VAL 54 2HG1 VAL 54 -5.991 -0.424 6.557 440 HG13 VAL 54 3HG1 VAL 54 -6.730 0.220 8.026 441 HG21 VAL 54 1HG2 VAL 54 -5.652 1.210 4.516 442 HG22 VAL 54 2HG2 VAL 54 -4.765 2.279 5.607 443 HG23 VAL 54 3HG2 VAL 54 -6.149 2.893 4.707 444 H ARG 55 H ARG 55 -9.478 3.237 6.956 445 HA ARG 55 HA ARG 55 -9.487 4.876 4.471 446 HB2 ARG 55 2HB ARG 55 -11.720 4.760 6.546 447 HB3 ARG 55 3HB ARG 55 -11.612 5.963 5.274 448 HG2 ARG 55 2HG ARG 55 -12.942 4.589 4.062 449 HG3 ARG 55 3HG ARG 55 -11.502 3.607 3.814 450 HD2 ARG 55 2HD ARG 55 -13.540 3.210 6.026 451 HD3 ARG 55 3HD ARG 55 -13.446 2.275 4.531 452 HE ARG 55 HE ARG 55 -10.987 2.190 5.926 453 HH11 ARG 55 1HH1 ARG 55 -14.211 0.826 6.044 454 HH12 ARG 55 2HH1 ARG 55 -13.694 -0.611 6.863 455 HH21 ARG 55 1HH2 ARG 55 -10.328 0.304 7.018 456 HH22 ARG 55 2HH2 ARG 55 -11.505 -0.900 7.412 457 H ASN 56 H ASN 56 -10.553 5.748 7.761 458 HA ASN 56 HA ASN 56 -8.702 8.003 7.767 459 HB2 ASN 56 2HB ASN 56 -11.009 7.219 9.590 460 HB3 ASN 56 3HB ASN 56 -9.930 8.553 9.962 461 HD21 ASN 56 1HD2 ASN 56 -11.083 7.759 6.690 462 HD22 ASN 56 2HD2 ASN 56 -12.038 9.181 6.516 463 H ILE 57 H ILE 57 -6.788 7.009 7.982 464 HA ILE 57 HA ILE 57 -6.141 5.800 10.610 465 HB ILE 57 HB ILE 57 -4.040 4.896 9.245 466 HG12 ILE 57 2HG1 ILE 57 -4.651 4.182 6.897 467 HG13 ILE 57 3HG1 ILE 57 -6.093 5.182 6.985 468 HG21 ILE 57 1HG2 ILE 57 -5.680 3.493 10.400 469 HG22 ILE 57 2HG2 ILE 57 -5.228 2.777 8.853 470 HG23 ILE 57 3HG2 ILE 57 -6.781 3.602 9.020 471 HD11 ILE 57 1HD1 ILE 57 -3.260 6.202 7.120 472 HD12 ILE 57 2HD1 ILE 57 -4.727 7.182 7.056 473 HD13 ILE 57 3HD1 ILE 57 -4.272 6.177 5.678 474 H SER 58 H SER 58 -3.662 6.145 11.057 475 HA SER 58 HA SER 58 -3.215 9.059 10.960 476 HB2 SER 58 2HB SER 58 -2.015 6.881 12.721 477 HB3 SER 58 3HB SER 58 -1.697 8.612 12.876 478 HG SER 58 HG SER 58 -3.661 8.934 13.660 479 H LYS 59 H LYS 59 -0.682 9.557 11.129 480 HA LYS 59 HA LYS 59 0.279 8.972 8.486 481 HB2 LYS 59 2HB LYS 59 2.003 10.616 8.826 482 HB3 LYS 59 3HB LYS 59 0.517 11.250 9.502 483 HG2 LYS 59 2HG LYS 59 2.750 10.027 11.154 484 HG3 LYS 59 3HG LYS 59 2.580 11.753 10.842 485 HD2 LYS 59 2HD LYS 59 0.408 11.764 12.010 486 HD3 LYS 59 3HD LYS 59 0.535 10.023 12.278 487 HE2 LYS 59 2HE LYS 59 2.679 10.513 13.586 488 HE3 LYS 59 3HE LYS 59 2.235 12.219 13.501 489 HZ1 LYS 59 1HZ LYS 59 0.125 11.636 14.613 490 HZ2 LYS 59 2HZ LYS 59 1.481 11.282 15.559 491 HZ3 LYS 59 3HZ LYS 59 0.663 10.035 14.766 492 H GLU 60 H GLU 60 1.293 7.951 11.740 493 HA GLU 60 HA GLU 60 3.533 6.377 10.757 494 HB2 GLU 60 2HB GLU 60 3.841 5.593 13.040 495 HB3 GLU 60 3HB GLU 60 3.612 7.332 13.053 496 HG2 GLU 60 2HG GLU 60 1.215 5.584 13.552 497 HG3 GLU 60 3HG GLU 60 2.407 5.753 14.827 498 H GLU 61 H GLU 61 0.148 5.944 11.352 499 HA GLU 61 HA GLU 61 0.125 3.083 11.378 500 HB2 GLU 61 2HB GLU 61 -1.658 4.453 12.391 501 HB3 GLU 61 3HB GLU 61 -2.128 5.038 10.798 502 HG2 GLU 61 2HG GLU 61 -3.663 3.308 11.580 503 HG3 GLU 61 3HG GLU 61 -2.800 2.771 10.143 504 H LEU 62 H LEU 62 -0.289 5.518 8.792 505 HA LEU 62 HA LEU 62 -0.860 3.564 6.781 506 HB2 LEU 62 2HB LEU 62 -0.570 5.356 5.122 507 HB3 LEU 62 3HB LEU 62 -1.681 5.765 6.404 508 HG LEU 62 HG LEU 62 0.343 7.095 7.431 509 HD11 LEU 62 1HD1 LEU 62 1.277 6.943 4.547 510 HD12 LEU 62 2HD1 LEU 62 2.111 6.281 5.952 511 HD13 LEU 62 3HD1 LEU 62 1.921 8.025 5.787 512 HD21 LEU 62 1HD2 LEU 62 -0.292 9.110 6.178 513 HD22 LEU 62 2HD2 LEU 62 -1.706 8.157 6.613 514 HD23 LEU 62 3HD2 LEU 62 -1.092 8.115 4.957 515 H LYS 63 H LYS 63 2.069 4.872 8.140 516 HA LYS 63 HA LYS 63 3.948 3.869 6.340 517 HB2 LYS 63 2HB LYS 63 4.042 4.197 9.355 518 HB3 LYS 63 3HB LYS 63 5.394 3.475 8.496 519 HG2 LYS 63 2HG LYS 63 4.301 6.277 8.085 520 HG3 LYS 63 3HG LYS 63 5.798 5.845 8.913 521 HD2 LYS 63 2HD LYS 63 5.180 5.526 5.955 522 HD3 LYS 63 3HD LYS 63 6.350 6.619 6.689 523 HE2 LYS 63 2HE LYS 63 6.536 3.584 6.682 524 HE3 LYS 63 3HE LYS 63 7.447 4.675 5.643 525 HZ1 LYS 63 1HZ LYS 63 8.598 5.535 7.508 526 HZ2 LYS 63 2HZ LYS 63 8.687 3.854 7.588 527 HZ3 LYS 63 3HZ LYS 63 7.628 4.689 8.601 528 H LYS 64 H LYS 64 1.946 2.188 8.753 529 HA LYS 64 HA LYS 64 3.338 -0.273 8.704 530 HB2 LYS 64 2HB LYS 64 0.382 0.195 9.296 531 HB3 LYS 64 3HB LYS 64 1.256 -1.294 9.626 532 HG2 LYS 64 2HG LYS 64 1.566 1.389 10.980 533 HG3 LYS 64 3HG LYS 64 1.070 -0.142 11.699 534 HD2 LYS 64 2HD LYS 64 3.845 0.582 10.696 535 HD3 LYS 64 3HD LYS 64 3.348 0.405 12.375 536 HE2 LYS 64 2HE LYS 64 3.086 -1.975 12.135 537 HE3 LYS 64 3HE LYS 64 3.257 -1.880 10.378 538 HZ1 LYS 64 1HZ LYS 64 5.543 -1.122 10.691 539 HZ2 LYS 64 2HZ LYS 64 5.294 -2.645 11.380 540 HZ3 LYS 64 3HZ LYS 64 5.382 -1.281 12.368 541 H LEU 65 H LEU 65 0.947 1.155 6.542 542 HA LEU 65 HA LEU 65 -0.105 -1.146 5.297 543 HB2 LEU 65 2HB LEU 65 0.408 1.599 4.083 544 HB3 LEU 65 3HB LEU 65 -0.660 0.392 3.410 545 HG LEU 65 HG LEU 65 -1.063 1.876 6.023 546 HD11 LEU 65 1HD1 LEU 65 -2.953 2.941 4.912 547 HD12 LEU 65 2HD1 LEU 65 -2.620 2.054 3.424 548 HD13 LEU 65 3HD1 LEU 65 -1.465 3.250 4.020 549 HD21 LEU 65 1HD2 LEU 65 -3.233 0.748 6.169 550 HD22 LEU 65 2HD2 LEU 65 -1.904 -0.407 6.227 551 HD23 LEU 65 3HD2 LEU 65 -2.841 -0.213 4.741 552 H LEU 66 H LEU 66 2.688 0.836 4.437 553 HA LEU 66 HA LEU 66 3.442 -0.825 2.185 554 HB2 LEU 66 2HB LEU 66 5.269 0.837 1.897 555 HB3 LEU 66 3HB LEU 66 3.665 1.545 1.937 556 HG LEU 66 HG LEU 66 4.330 1.870 4.567 557 HD11 LEU 66 1HD1 LEU 66 6.626 2.559 4.853 558 HD12 LEU 66 2HD1 LEU 66 6.995 2.174 3.173 559 HD13 LEU 66 3HD1 LEU 66 6.576 0.883 4.302 560 HD21 LEU 66 1HD2 LEU 66 4.880 4.198 4.082 561 HD22 LEU 66 2HD2 LEU 66 3.513 3.650 3.113 562 HD23 LEU 66 3HD2 LEU 66 5.110 3.805 2.374 563 H GLU 67 H GLU 67 4.360 -0.473 5.566 564 HA GLU 67 HA GLU 67 6.832 -1.921 5.399 565 HB2 GLU 67 2HB GLU 67 5.015 -1.352 7.777 566 HB3 GLU 67 3HB GLU 67 6.539 -2.233 7.919 567 HG2 GLU 67 2HG GLU 67 7.753 -0.272 7.017 568 HG3 GLU 67 3HG GLU 67 6.234 0.619 6.924 569 H ARG 68 H ARG 68 3.474 -2.918 5.666 570 HA ARG 68 HA ARG 68 3.907 -5.662 6.293 571 HB2 ARG 68 2HB ARG 68 1.677 -4.453 4.582 572 HB3 ARG 68 3HB ARG 68 1.646 -6.039 5.339 573 HG2 ARG 68 2HG ARG 68 1.974 -3.638 7.106 574 HG3 ARG 68 3HG ARG 68 0.395 -3.927 6.397 575 HD2 ARG 68 2HD ARG 68 0.474 -4.837 8.618 576 HD3 ARG 68 3HD ARG 68 0.359 -6.158 7.460 577 HE ARG 68 HE ARG 68 3.074 -5.635 8.215 578 HH11 ARG 68 1HH1 ARG 68 0.119 -7.242 9.303 579 HH12 ARG 68 2HH1 ARG 68 0.970 -8.359 10.320 580 HH21 ARG 68 1HH2 ARG 68 4.152 -7.100 9.593 581 HH22 ARG 68 2HH2 ARG 68 3.239 -8.277 10.485 582 H ILE 69 H ILE 69 3.791 -3.808 3.269 583 HA ILE 69 HA ILE 69 3.964 -5.889 1.384 584 HB ILE 69 HB ILE 69 5.062 -3.054 1.065 585 HG12 ILE 69 2HG1 ILE 69 2.270 -4.098 0.417 586 HG13 ILE 69 3HG1 ILE 69 2.675 -3.042 1.766 587 HG21 ILE 69 1HG2 ILE 69 4.214 -5.060 -1.066 588 HG22 ILE 69 2HG2 ILE 69 5.869 -4.573 -0.703 589 HG23 ILE 69 3HG2 ILE 69 4.735 -3.400 -1.373 590 HD11 ILE 69 1HD1 ILE 69 3.377 -1.312 0.183 591 HD12 ILE 69 2HD1 ILE 69 1.694 -1.785 -0.026 592 HD13 ILE 69 3HD1 ILE 69 2.912 -2.363 -1.160 593 H ARG 70 H ARG 70 6.540 -3.892 2.907 594 HA ARG 70 HA ARG 70 8.699 -4.888 1.409 595 HB2 ARG 70 2HB ARG 70 10.206 -3.877 2.954 596 HB3 ARG 70 3HB ARG 70 8.799 -2.822 2.893 597 HG2 ARG 70 2HG ARG 70 8.004 -3.680 5.029 598 HG3 ARG 70 3HG ARG 70 9.307 -4.862 5.082 599 HD2 ARG 70 2HD ARG 70 10.953 -3.027 5.240 600 HD3 ARG 70 3HD ARG 70 9.633 -1.845 5.201 601 HE ARG 70 HE ARG 70 9.594 -3.903 7.293 602 HH11 ARG 70 1HH1 ARG 70 10.178 -0.530 6.497 603 HH12 ARG 70 2HH1 ARG 70 10.090 -0.005 8.145 604 HH21 ARG 70 1HH2 ARG 70 9.415 -3.183 9.454 605 HH22 ARG 70 2HH2 ARG 70 9.662 -1.502 9.811 606 H GLU 71 H GLU 71 7.182 -6.050 4.386 607 HA GLU 71 HA GLU 71 8.966 -8.080 5.130 608 HB2 GLU 71 2HB GLU 71 5.939 -7.918 5.431 609 HB3 GLU 71 3HB GLU 71 6.947 -9.113 6.244 610 HG2 GLU 71 2HG GLU 71 8.091 -7.370 7.483 611 HG3 GLU 71 3HG GLU 71 7.216 -6.125 6.601 612 H LYS 72 H LYS 72 6.290 -8.029 2.802 613 HA LYS 72 HA LYS 72 6.161 -10.836 2.349 614 HB2 LYS 72 2HB LYS 72 5.277 -8.727 0.343 615 HB3 LYS 72 3HB LYS 72 4.652 -10.357 0.535 616 HG2 LYS 72 2HG LYS 72 4.229 -7.999 2.369 617 HG3 LYS 72 3HG LYS 72 3.030 -8.750 1.319 618 HD2 LYS 72 2HD LYS 72 3.134 -10.814 2.714 619 HD3 LYS 72 3HD LYS 72 4.328 -10.033 3.761 620 HE2 LYS 72 2HE LYS 72 2.694 -8.325 4.397 621 HE3 LYS 72 3HE LYS 72 1.501 -9.013 3.293 622 HZ1 LYS 72 1HZ LYS 72 2.609 -10.299 5.728 623 HZ2 LYS 72 2HZ LYS 72 1.580 -11.065 4.635 624 HZ3 LYS 72 3HZ LYS 72 1.034 -9.726 5.507 625 H ILE 73 H ILE 73 7.596 -8.143 0.432 626 HA ILE 73 HA ILE 73 8.673 -9.842 -1.574 627 HB ILE 73 HB ILE 73 9.990 -7.832 -2.353 628 HG12 ILE 73 2HG1 ILE 73 9.052 -5.576 -1.242 629 HG13 ILE 73 3HG1 ILE 73 8.851 -6.601 0.169 630 HG21 ILE 73 1HG2 ILE 73 7.757 -8.315 -3.233 631 HG22 ILE 73 2HG2 ILE 73 8.026 -6.574 -3.143 632 HG23 ILE 73 3HG2 ILE 73 7.017 -7.376 -1.935 633 HD11 ILE 73 1HD1 ILE 73 10.918 -5.355 0.230 634 HD12 ILE 73 2HD1 ILE 73 11.431 -6.084 -1.289 635 HD13 ILE 73 3HD1 ILE 73 11.241 -7.086 0.152 636 H GLU 74 H GLU 74 10.007 -8.675 1.489 637 HA GLU 74 HA GLU 74 12.719 -9.385 1.046 638 HB2 GLU 74 2HB GLU 74 11.125 -9.104 3.623 639 HB3 GLU 74 3HB GLU 74 12.824 -9.551 3.628 640 HG2 GLU 74 2HG GLU 74 11.692 -6.960 2.542 641 HG3 GLU 74 3HG GLU 74 12.479 -7.161 4.103 642 H ARG 75 H ARG 75 9.968 -11.213 2.431 643 HA ARG 75 HA ARG 75 11.593 -13.472 3.162 644 HB2 ARG 75 2HB ARG 75 9.522 -14.532 3.908 645 HB3 ARG 75 3HB ARG 75 9.598 -12.867 4.466 646 HG2 ARG 75 2HG ARG 75 8.057 -12.218 2.607 647 HG3 ARG 75 3HG ARG 75 7.906 -13.921 2.175 648 HD2 ARG 75 2HD ARG 75 5.998 -13.183 3.521 649 HD3 ARG 75 3HD ARG 75 6.939 -14.389 4.404 650 HE ARG 75 HE ARG 75 8.004 -12.166 5.380 651 HH11 ARG 75 1HH1 ARG 75 4.592 -12.911 4.895 652 HH12 ARG 75 2HH1 ARG 75 4.068 -11.907 6.213 653 HH21 ARG 75 1HH2 ARG 75 7.324 -10.912 7.120 654 HH22 ARG 75 2HH2 ARG 75 5.628 -10.763 7.483 655 H GLU 76 H GLU 76 9.556 -12.726 0.337 656 HA GLU 76 HA GLU 76 9.699 -15.442 -0.691 657 HB2 GLU 76 2HB GLU 76 8.527 -14.527 -2.724 658 HB3 GLU 76 3HB GLU 76 7.666 -14.338 -1.215 659 HG2 GLU 76 2HG GLU 76 7.241 -12.269 -2.027 660 HG3 GLU 76 3HG GLU 76 8.811 -11.907 -1.332 661 H GLY 77 H GLY 77 11.049 -12.293 -1.760 662 HA2 GLY 77 2HA GLY 77 12.887 -11.747 -3.004 663 HA3 GLY 77 3HA GLY 77 13.630 -13.198 -2.352 664 H SER 78 H SER 78 10.789 -13.000 -4.394 665 HA SER 78 HA SER 78 12.028 -14.778 -6.391 666 HB2 SER 78 2HB SER 78 9.925 -15.503 -5.213 667 HB3 SER 78 3HB SER 78 9.088 -14.112 -5.892 668 HG SER 78 HG SER 78 8.666 -15.862 -7.185 669 H SER 79 H SER 79 10.276 -14.204 -8.549 670 HA SER 79 HA SER 79 10.756 -11.360 -9.189 671 HB2 SER 79 2HB SER 79 11.380 -13.718 -11.024 672 HB3 SER 79 3HB SER 79 11.542 -12.012 -11.450 673 HG SER 79 HG SER 79 12.867 -12.471 -9.167 674 H GLU 80 H GLU 80 8.343 -12.164 -8.262 675 HA GLU 80 HA GLU 80 6.706 -11.278 -10.466 676 HB2 GLU 80 2HB GLU 80 6.524 -13.736 -10.781 677 HB3 GLU 80 3HB GLU 80 5.987 -13.928 -9.117 678 HG2 GLU 80 2HG GLU 80 3.931 -12.688 -9.594 679 HG3 GLU 80 3HG GLU 80 4.482 -12.342 -11.231 680 H VAL 81 H VAL 81 6.089 -9.481 -9.452 681 HA VAL 81 HA VAL 81 4.633 -9.637 -6.906 682 HB VAL 81 HB VAL 81 6.917 -9.017 -6.241 683 HG11 VAL 81 1HG1 VAL 81 8.021 -6.952 -7.006 684 HG12 VAL 81 2HG1 VAL 81 6.700 -6.657 -8.138 685 HG13 VAL 81 3HG1 VAL 81 7.739 -8.068 -8.346 686 HG21 VAL 81 1HG2 VAL 81 5.056 -8.006 -4.977 687 HG22 VAL 81 2HG2 VAL 81 5.057 -6.612 -6.057 688 HG23 VAL 81 3HG2 VAL 81 6.450 -6.922 -5.017 689 H GLU 82 H GLU 82 2.975 -8.277 -6.766 690 HA GLU 82 HA GLU 82 2.601 -6.005 -8.570 691 HB2 GLU 82 2HB GLU 82 1.422 -7.817 -9.718 692 HB3 GLU 82 3HB GLU 82 0.648 -8.329 -8.230 693 HG2 GLU 82 2HG GLU 82 -0.962 -7.173 -9.621 694 HG3 GLU 82 3HG GLU 82 -0.629 -6.201 -8.188 695 H VAL 83 H VAL 83 1.568 -4.323 -7.509 696 HA VAL 83 HA VAL 83 0.345 -4.793 -4.845 697 HB VAL 83 HB VAL 83 2.237 -2.465 -5.488 698 HG11 VAL 83 1HG1 VAL 83 0.430 -1.787 -3.968 699 HG12 VAL 83 2HG1 VAL 83 1.969 -1.838 -3.107 700 HG13 VAL 83 3HG1 VAL 83 0.800 -3.141 -2.894 701 HG21 VAL 83 1HG2 VAL 83 3.515 -4.550 -5.164 702 HG22 VAL 83 2HG2 VAL 83 2.719 -4.810 -3.610 703 HG23 VAL 83 3HG2 VAL 83 3.792 -3.427 -3.830 704 H ASN 84 H ASN 84 -1.742 -4.293 -5.228 705 HA ASN 84 HA ASN 84 -2.460 -2.035 -6.978 706 HB2 ASN 84 2HB ASN 84 -4.182 -4.325 -5.929 707 HB3 ASN 84 3HB ASN 84 -4.749 -3.030 -6.979 708 HD21 ASN 84 1HD2 ASN 84 -2.146 -3.131 -8.533 709 HD22 ASN 84 2HD2 ASN 84 -2.308 -4.530 -9.525 710 H VAL 85 H VAL 85 -2.504 -0.217 -5.787 711 HA VAL 85 HA VAL 85 -3.882 -0.151 -3.186 712 HB VAL 85 HB VAL 85 -2.577 2.167 -4.708 713 HG11 VAL 85 1HG1 VAL 85 -4.280 2.921 -3.097 714 HG12 VAL 85 2HG1 VAL 85 -2.665 3.357 -2.532 715 HG13 VAL 85 3HG1 VAL 85 -3.509 1.982 -1.812 716 HG21 VAL 85 1HG2 VAL 85 -1.422 0.492 -2.446 717 HG22 VAL 85 2HG2 VAL 85 -0.668 1.921 -3.158 718 HG23 VAL 85 3HG2 VAL 85 -0.894 0.466 -4.131 719 H HIS 86 H HIS 86 -6.010 0.343 -3.110 720 HA HIS 86 HA HIS 86 -7.367 1.450 -5.514 721 HB2 HIS 86 2HB HIS 86 -8.601 -0.323 -3.352 722 HB3 HIS 86 3HB HIS 86 -9.358 0.184 -4.854 723 HD1 HIS 86 HD1 HIS 86 -9.147 -1.405 -6.785 724 HD2 HIS 86 HD2 HIS 86 -6.432 -2.247 -3.746 725 HE1 HIS 86 HE1 HIS 86 -8.100 -3.612 -7.389 726 HE2 HIS 86 HE2 HIS 86 -6.545 -4.139 -5.490 727 H SER 87 H SER 87 -7.856 3.567 -5.075 728 HA SER 87 HA SER 87 -9.164 4.288 -2.576 729 HB2 SER 87 2HB SER 87 -6.646 5.741 -3.512 730 HB3 SER 87 3HB SER 87 -7.625 6.154 -2.105 731 HG SER 87 HG SER 87 -7.077 3.762 -1.598 732 H GLY 88 H GLY 88 -10.873 5.431 -3.073 733 HA2 GLY 88 2HA GLY 88 -12.219 7.098 -3.891 734 HA3 GLY 88 3HA GLY 88 -10.819 7.786 -4.701 735 H GLY 89 H GLY 89 -11.664 4.461 -5.282 736 HA2 GLY 89 2HA GLY 89 -12.767 3.458 -7.094 737 HA3 GLY 89 3HA GLY 89 -12.963 5.027 -7.861 738 H GLN 90 H GLN 90 -9.941 5.452 -7.220 739 HA GLN 90 HA GLN 90 -8.970 4.436 -9.766 740 HB2 GLN 90 2HB GLN 90 -7.629 6.201 -7.653 741 HB3 GLN 90 3HB GLN 90 -6.854 5.710 -9.154 742 HG2 GLN 90 2HG GLN 90 -7.624 7.911 -9.523 743 HG3 GLN 90 3HG GLN 90 -8.740 6.865 -10.395 744 HE21 GLN 90 1HE2 GLN 90 -8.739 7.509 -6.909 745 HE22 GLN 90 2HE2 GLN 90 -10.258 8.332 -6.888 746 H THR 91 H THR 91 -7.389 2.869 -10.034 747 HA THR 91 HA THR 91 -6.232 1.598 -7.625 748 HB THR 91 HB THR 91 -7.145 0.202 -10.184 749 HG1 THR 91 HG1 THR 91 -8.820 0.689 -8.668 750 HG21 THR 91 1HG2 THR 91 -5.056 -0.829 -9.339 751 HG22 THR 91 2HG2 THR 91 -6.432 -1.903 -9.085 752 HG23 THR 91 3HG2 THR 91 -5.774 -0.983 -7.732 753 H TRP 92 H TRP 92 -4.140 2.056 -7.573 754 HA TRP 92 HA TRP 92 -2.532 2.469 -9.976 755 HB2 TRP 92 2HB TRP 92 -1.790 2.612 -7.014 756 HB3 TRP 92 3HB TRP 92 -0.715 3.021 -8.350 757 HD1 TRP 92 HD1 TRP 92 -1.002 5.431 -9.450 758 HE1 TRP 92 HE1 TRP 92 -2.381 7.501 -8.808 759 HE3 TRP 92 HE3 TRP 92 -4.072 3.323 -5.958 760 HZ2 TRP 92 HZ2 TRP 92 -4.477 8.156 -7.063 761 HZ3 TRP 92 HZ3 TRP 92 -5.743 4.732 -4.844 762 HH2 TRP 92 HH2 TRP 92 -5.943 7.109 -5.384 763 H THR 93 H THR 93 -1.657 0.742 -10.935 764 HA THR 93 HA THR 93 -1.215 -1.773 -9.460 765 HB THR 93 HB THR 93 -0.921 -2.753 -11.777 766 HG1 THR 93 HG1 THR 93 -0.449 -0.444 -12.619 767 HG21 THR 93 1HG2 THR 93 -3.311 -2.604 -12.437 768 HG22 THR 93 2HG2 THR 93 -3.532 -1.243 -11.335 769 HG23 THR 93 3HG2 THR 93 -3.139 -2.842 -10.697 770 H PHE 94 H PHE 94 0.759 -1.735 -8.473 771 HA PHE 94 HA PHE 94 3.144 -0.740 -9.889 772 HB2 PHE 94 2HB PHE 94 2.816 -1.636 -6.983 773 HB3 PHE 94 3HB PHE 94 4.276 -0.950 -7.685 774 HD1 PHE 94 HD1 PHE 94 4.392 1.461 -8.257 775 HD2 PHE 94 HD2 PHE 94 0.916 -0.202 -6.397 776 HE1 PHE 94 HE1 PHE 94 3.601 3.723 -7.694 777 HE2 PHE 94 HE2 PHE 94 0.132 2.061 -5.842 778 HZ PHE 94 HZ PHE 94 1.470 4.026 -6.492 779 H ASN 95 H ASN 95 3.816 -2.233 -11.229 780 HA ASN 95 HA ASN 95 4.017 -5.083 -10.456 781 HB2 ASN 95 2HB ASN 95 3.971 -5.522 -12.952 782 HB3 ASN 95 3HB ASN 95 2.484 -4.840 -12.305 783 HD21 ASN 95 1HD2 ASN 95 1.979 -2.639 -12.766 784 HD22 ASN 95 2HD2 ASN 95 2.680 -1.833 -14.126 785 H GLU 96 H GLU 96 5.871 -6.237 -11.472 786 HA GLU 96 HA GLU 96 8.251 -5.284 -10.486 787 HB2 GLU 96 2HB GLU 96 9.380 -7.121 -11.750 788 HB3 GLU 96 3HB GLU 96 7.946 -7.661 -10.885 789 HG2 GLU 96 2HG GLU 96 6.649 -7.730 -12.932 790 HG3 GLU 96 3HG GLU 96 7.965 -6.999 -13.848 791 H LYS 97 H LYS 97 10.101 -4.402 -11.303 792 HA LYS 97 HA LYS 97 9.660 -2.440 -13.401 793 HB2 LYS 97 2HB LYS 97 11.822 -1.451 -12.460 794 HB3 LYS 97 3HB LYS 97 10.455 -1.521 -11.360 795 HG2 LYS 97 2HG LYS 97 11.447 -3.586 -10.328 796 HG3 LYS 97 3HG LYS 97 12.864 -3.371 -11.359 797 HD2 LYS 97 2HD LYS 97 11.876 -1.401 -9.252 798 HD3 LYS 97 3HD LYS 97 13.264 -2.477 -9.090 799 HE2 LYS 97 2HE LYS 97 14.412 -1.302 -10.920 800 HE3 LYS 97 3HE LYS 97 13.008 -0.255 -11.145 801 HZ1 LYS 97 1HZ LYS 97 14.757 -0.374 -8.744 802 HZ2 LYS 97 2HZ LYS 97 13.346 0.549 -8.851 803 HZ3 LYS 97 3HZ LYS 97 14.658 0.890 -9.864 Start of MODEL 6 1 H1 MET 1 1H MET 1 11.568 4.646 -9.981 2 H2 MET 1 2H MET 1 11.568 5.641 -8.621 3 H3 MET 1 3H MET 1 12.783 4.481 -8.816 4 HA MET 1 HA MET 1 13.583 6.682 -9.292 5 HB2 MET 1 2HB MET 1 14.606 6.173 -11.488 6 HB3 MET 1 3HB MET 1 14.603 4.761 -10.444 7 HG2 MET 1 2HG MET 1 12.663 3.852 -11.675 8 HG3 MET 1 3HG MET 1 12.685 5.266 -12.734 9 HE1 MET 1 1HE MET 1 12.768 3.522 -14.834 10 HE2 MET 1 2HE MET 1 12.807 2.164 -13.709 11 HE3 MET 1 3HE MET 1 14.012 2.282 -14.991 12 H GLY 2 H GLY 2 13.734 8.277 -11.211 13 HA2 GLY 2 2HA GLY 2 12.835 9.644 -12.840 14 HA3 GLY 2 3HA GLY 2 11.326 8.751 -12.771 15 H HIS 3 H HIS 3 9.665 9.794 -11.914 16 HA HIS 3 HA HIS 3 9.941 12.465 -10.936 17 HB2 HIS 3 2HB HIS 3 7.452 12.490 -10.859 18 HB3 HIS 3 3HB HIS 3 8.076 11.933 -12.409 19 HD1 HIS 3 HD1 HIS 3 5.846 10.953 -9.642 20 HD2 HIS 3 HD2 HIS 3 7.738 9.061 -12.814 21 HE1 HIS 3 HE1 HIS 3 4.673 8.757 -9.918 22 HE2 HIS 3 HE2 HIS 3 5.742 7.700 -11.921 23 H HIS 4 H HIS 4 11.109 12.306 -9.010 24 HA HIS 4 HA HIS 4 9.558 11.881 -6.606 25 HB2 HIS 4 2HB HIS 4 10.553 9.564 -7.322 26 HB3 HIS 4 3HB HIS 4 12.105 10.217 -6.815 27 HD1 HIS 4 HD1 HIS 4 12.062 8.225 -5.052 28 HD2 HIS 4 HD2 HIS 4 9.170 11.146 -4.467 29 HE1 HIS 4 HE1 HIS 4 11.163 7.829 -2.742 30 HE2 HIS 4 HE2 HIS 4 9.660 9.795 -2.329 31 H HIS 5 H HIS 5 10.005 14.193 -6.684 32 HA HIS 5 HA HIS 5 12.740 15.110 -6.322 33 HB2 HIS 5 2HB HIS 5 11.770 17.405 -6.299 34 HB3 HIS 5 3HB HIS 5 11.305 16.481 -7.719 35 HD1 HIS 5 HD1 HIS 5 8.762 15.715 -7.838 36 HD2 HIS 5 HD2 HIS 5 9.658 18.394 -4.786 37 HE1 HIS 5 HE1 HIS 5 6.554 16.638 -7.076 38 HE2 HIS 5 HE2 HIS 5 7.120 18.243 -5.229 39 H HIS 6 H HIS 6 12.841 13.656 -4.379 40 HA HIS 6 HA HIS 6 12.792 15.228 -1.974 41 HB2 HIS 6 2HB HIS 6 10.392 14.374 -2.088 42 HB3 HIS 6 3HB HIS 6 11.012 12.729 -2.012 43 HD1 HIS 6 HD1 HIS 6 11.940 11.908 0.274 44 HD2 HIS 6 HD2 HIS 6 10.424 15.781 0.356 45 HE1 HIS 6 HE1 HIS 6 11.785 12.526 2.700 46 HE2 HIS 6 HE2 HIS 6 11.018 14.912 2.709 47 H HIS 7 H HIS 7 15.028 14.743 -2.381 48 HA HIS 7 HA HIS 7 16.109 12.134 -2.516 49 HB2 HIS 7 2HB HIS 7 18.308 13.187 -2.329 50 HB3 HIS 7 3HB HIS 7 17.291 14.133 -3.409 51 HD1 HIS 7 HD1 HIS 7 19.812 14.744 -1.133 52 HD2 HIS 7 HD2 HIS 7 15.986 16.352 -1.526 53 HE1 HIS 7 HE1 HIS 7 19.861 16.939 0.094 54 HE2 HIS 7 HE2 HIS 7 17.556 17.891 -0.161 55 H HIS 8 H HIS 8 15.290 10.899 -0.862 56 HA HIS 8 HA HIS 8 15.336 11.866 1.874 57 HB2 HIS 8 2HB HIS 8 13.936 9.930 2.420 58 HB3 HIS 8 3HB HIS 8 13.279 10.878 1.094 59 HD1 HIS 8 HD1 HIS 8 13.848 9.725 -1.402 60 HD2 HIS 8 HD2 HIS 8 13.818 7.274 1.953 61 HE1 HIS 8 HE1 HIS 8 13.522 7.387 -2.269 62 HE2 HIS 8 HE2 HIS 8 13.721 5.922 -0.235 63 H GLU 9 H GLU 9 17.516 11.873 2.329 64 HA GLU 9 HA GLU 9 18.843 9.310 2.853 65 HB2 GLU 9 2HB GLU 9 19.668 12.131 3.688 66 HB3 GLU 9 3HB GLU 9 20.659 10.680 3.798 67 HG2 GLU 9 2HG GLU 9 20.599 10.502 1.305 68 HG3 GLU 9 3HG GLU 9 19.705 12.016 1.253 69 H ASN 10 H ASN 10 17.301 8.349 4.192 70 HA ASN 10 HA ASN 10 15.730 9.577 6.137 71 HB2 ASN 10 2HB ASN 10 16.572 6.648 5.970 72 HB3 ASN 10 3HB ASN 10 15.245 7.266 6.955 73 HD21 ASN 10 1HD2 ASN 10 13.842 5.836 5.844 74 HD22 ASN 10 2HD2 ASN 10 13.290 6.169 4.243 75 H LEU 11 H LEU 11 18.988 8.342 6.358 76 HA LEU 11 HA LEU 11 20.524 8.026 7.989 77 HB2 LEU 11 2HB LEU 11 18.841 10.023 9.563 78 HB3 LEU 11 3HB LEU 11 20.487 9.554 9.958 79 HG LEU 11 HG LEU 11 19.661 11.048 7.435 80 HD11 LEU 11 1HD1 LEU 11 21.065 12.133 9.901 81 HD12 LEU 11 2HD1 LEU 11 19.392 12.452 9.437 82 HD13 LEU 11 3HD1 LEU 11 20.708 13.025 8.418 83 HD21 LEU 11 1HD2 LEU 11 22.447 10.403 8.459 84 HD22 LEU 11 2HD2 LEU 11 22.061 11.363 7.028 85 HD23 LEU 11 3HD2 LEU 11 21.653 9.650 7.074 86 H TYR 12 H TYR 12 18.223 6.377 7.764 87 HA TYR 12 HA TYR 12 17.943 5.154 10.440 88 HB2 TYR 12 2HB TYR 12 15.789 5.564 8.312 89 HB3 TYR 12 3HB TYR 12 15.591 4.492 9.692 90 HD1 TYR 12 HD1 TYR 12 16.793 6.239 11.861 91 HD2 TYR 12 HD2 TYR 12 14.070 7.168 8.702 92 HE1 TYR 12 HE1 TYR 12 15.826 8.033 13.222 93 HE2 TYR 12 HE2 TYR 12 13.115 8.977 10.063 94 HH TYR 12 HH TYR 12 12.921 9.475 12.569 95 H PHE 13 H PHE 13 16.437 2.934 9.526 96 HA PHE 13 HA PHE 13 18.508 1.291 8.365 97 HB2 PHE 13 2HB PHE 13 15.612 0.505 8.922 98 HB3 PHE 13 3HB PHE 13 17.022 -0.552 8.854 99 HD1 PHE 13 HD1 PHE 13 18.933 -0.007 10.629 100 HD2 PHE 13 HD2 PHE 13 14.850 1.215 11.040 101 HE1 PHE 13 HE1 PHE 13 19.253 0.278 13.055 102 HE2 PHE 13 HE2 PHE 13 15.187 1.506 13.462 103 HZ PHE 13 HZ PHE 13 17.383 1.034 14.468 104 H GLN 14 H GLN 14 18.842 1.334 6.185 105 HA GLN 14 HA GLN 14 16.896 2.230 4.281 106 HB2 GLN 14 2HB GLN 14 18.649 1.581 2.570 107 HB3 GLN 14 3HB GLN 14 19.156 2.737 3.785 108 HG2 GLN 14 2HG GLN 14 21.008 1.321 3.518 109 HG3 GLN 14 3HG GLN 14 20.253 0.767 5.006 110 HE21 GLN 14 1HE2 GLN 14 20.771 0.044 1.623 111 HE22 GLN 14 2HE2 GLN 14 20.483 -1.655 1.741 112 H SER 15 H SER 15 17.649 -0.821 5.642 113 HA SER 15 HA SER 15 16.612 -2.801 5.675 114 HB2 SER 15 2HB SER 15 14.300 -1.287 4.389 115 HB3 SER 15 3HB SER 15 14.185 -2.824 5.260 116 HG SER 15 HG SER 15 15.329 -0.553 6.481 117 H HIS 16 H HIS 16 18.316 -3.327 4.043 118 HA HIS 16 HA HIS 16 19.001 -4.637 2.334 119 HB2 HIS 16 2HB HIS 16 17.237 -6.116 3.327 120 HB3 HIS 16 3HB HIS 16 16.068 -5.457 2.191 121 HD1 HIS 16 HD1 HIS 16 15.603 -7.279 0.586 122 HD2 HIS 16 HD2 HIS 16 19.648 -7.065 1.460 123 HE1 HIS 16 HE1 HIS 16 16.691 -8.969 -0.895 124 HE2 HIS 16 HE2 HIS 16 19.097 -8.969 -0.192 125 H MET 17 H MET 17 18.455 -1.964 1.742 126 HA MET 17 HA MET 17 18.434 -0.462 0.069 127 HB2 MET 17 2HB MET 17 18.774 -2.919 -1.698 128 HB3 MET 17 3HB MET 17 18.839 -1.274 -2.314 129 HG2 MET 17 2HG MET 17 21.075 -2.044 -2.058 130 HG3 MET 17 3HG MET 17 20.786 -0.852 -0.787 131 HE1 MET 17 1HE MET 17 23.118 -1.855 0.257 132 HE2 MET 17 2HE MET 17 23.208 -3.160 -0.929 133 HE3 MET 17 3HE MET 17 23.285 -3.525 0.794 134 H THR 18 H THR 18 15.832 -1.845 0.918 135 HA THR 18 HA THR 18 14.177 -1.943 -1.466 136 HB THR 18 HB THR 18 13.351 -2.275 1.450 137 HG1 THR 18 HG1 THR 18 15.006 -3.781 0.461 138 HG21 THR 18 1HG2 THR 18 11.401 -3.499 0.586 139 HG22 THR 18 2HG2 THR 18 11.918 -3.222 -1.077 140 HG23 THR 18 3HG2 THR 18 11.409 -1.863 -0.071 141 H ASP 19 H ASP 19 14.900 0.370 1.023 142 HA ASP 19 HA ASP 19 12.413 1.787 1.012 143 HB2 ASP 19 2HB ASP 19 13.983 1.724 2.980 144 HB3 ASP 19 3HB ASP 19 15.094 2.765 2.088 145 H GLU 20 H GLU 20 12.169 2.094 -1.238 146 HA GLU 20 HA GLU 20 12.865 4.812 -1.982 147 HB2 GLU 20 2HB GLU 20 14.617 3.425 -3.147 148 HB3 GLU 20 3HB GLU 20 13.343 2.521 -3.954 149 HG2 GLU 20 2HG GLU 20 12.568 4.731 -4.943 150 HG3 GLU 20 3HG GLU 20 14.048 5.446 -4.311 151 H LEU 21 H LEU 21 11.379 1.802 -3.268 152 HA LEU 21 HA LEU 21 9.094 3.011 -4.397 153 HB2 LEU 21 2HB LEU 21 8.123 0.779 -4.594 154 HB3 LEU 21 3HB LEU 21 9.800 0.773 -5.082 155 HG LEU 21 HG LEU 21 10.244 -0.199 -2.648 156 HD11 LEU 21 1HD1 LEU 21 7.998 0.051 -1.713 157 HD12 LEU 21 2HD1 LEU 21 8.449 -1.649 -1.773 158 HD13 LEU 21 3HD1 LEU 21 7.328 -0.994 -2.969 159 HD21 LEU 21 1HD2 LEU 21 10.027 -2.496 -3.486 160 HD22 LEU 21 2HD2 LEU 21 10.698 -1.433 -4.718 161 HD23 LEU 21 3HD2 LEU 21 9.009 -1.933 -4.815 162 H LEU 22 H LEU 22 9.811 1.851 -1.169 163 HA LEU 22 HA LEU 22 7.326 1.868 0.032 164 HB2 LEU 22 2HB LEU 22 10.018 2.674 1.222 165 HB3 LEU 22 3HB LEU 22 8.564 2.424 2.177 166 HG LEU 22 HG LEU 22 9.982 0.283 0.533 167 HD11 LEU 22 1HD1 LEU 22 9.818 0.620 3.546 168 HD12 LEU 22 2HD1 LEU 22 11.247 0.885 2.543 169 HD13 LEU 22 3HD1 LEU 22 10.567 -0.735 2.694 170 HD21 LEU 22 1HD2 LEU 22 8.407 -1.322 1.560 171 HD22 LEU 22 2HD2 LEU 22 7.566 -0.145 0.559 172 HD23 LEU 22 3HD2 LEU 22 7.528 0.011 2.317 173 H GLU 23 H GLU 23 9.650 4.632 -0.125 174 HA GLU 23 HA GLU 23 7.801 6.518 0.893 175 HB2 GLU 23 2HB GLU 23 10.246 6.969 0.958 176 HB3 GLU 23 3HB GLU 23 10.264 7.135 -0.802 177 HG2 GLU 23 2HG GLU 23 8.753 9.066 -0.671 178 HG3 GLU 23 3HG GLU 23 8.608 8.871 1.072 179 H ARG 24 H ARG 24 8.459 5.428 -2.430 180 HA ARG 24 HA ARG 24 7.030 7.437 -3.834 181 HB2 ARG 24 2HB ARG 24 7.518 4.512 -4.506 182 HB3 ARG 24 3HB ARG 24 6.739 5.632 -5.621 183 HG2 ARG 24 2HG ARG 24 8.743 6.987 -5.770 184 HG3 ARG 24 3HG ARG 24 9.531 6.043 -4.501 185 HD2 ARG 24 2HD ARG 24 10.351 5.415 -6.736 186 HD3 ARG 24 3HD ARG 24 9.539 4.062 -5.947 187 HE ARG 24 HE ARG 24 8.033 5.721 -7.861 188 HH11 ARG 24 1HH1 ARG 24 9.539 2.601 -7.147 189 HH12 ARG 24 2HH1 ARG 24 8.752 1.798 -8.466 190 HH21 ARG 24 1HH2 ARG 24 7.056 4.631 -9.612 191 HH22 ARG 24 2HH2 ARG 24 7.350 2.940 -9.856 192 H LEU 25 H LEU 25 5.958 4.567 -2.072 193 HA LEU 25 HA LEU 25 3.172 4.857 -2.896 194 HB2 LEU 25 2HB LEU 25 4.674 2.895 -1.154 195 HB3 LEU 25 3HB LEU 25 2.942 3.065 -0.917 196 HG LEU 25 HG LEU 25 2.553 2.473 -3.309 197 HD11 LEU 25 1HD1 LEU 25 4.311 1.527 -4.698 198 HD12 LEU 25 2HD1 LEU 25 5.518 1.894 -3.464 199 HD13 LEU 25 3HD1 LEU 25 4.671 3.204 -4.287 200 HD21 LEU 25 1HD2 LEU 25 3.024 0.077 -3.090 201 HD22 LEU 25 2HD2 LEU 25 2.416 0.753 -1.582 202 HD23 LEU 25 3HD2 LEU 25 4.137 0.408 -1.760 203 H ARG 26 H ARG 26 5.279 5.779 -0.241 204 HA ARG 26 HA ARG 26 3.294 6.498 1.645 205 HB2 ARG 26 2HB ARG 26 5.767 6.231 2.176 206 HB3 ARG 26 3HB ARG 26 6.059 7.781 1.407 207 HG2 ARG 26 2HG ARG 26 4.606 8.896 3.060 208 HG3 ARG 26 3HG ARG 26 4.244 7.342 3.813 209 HD2 ARG 26 2HD ARG 26 5.909 8.559 5.124 210 HD3 ARG 26 3HD ARG 26 6.629 7.100 4.445 211 HE ARG 26 HE ARG 26 8.073 8.404 3.240 212 HH11 ARG 26 1HH1 ARG 26 5.484 10.525 4.391 213 HH12 ARG 26 2HH1 ARG 26 6.302 11.969 3.880 214 HH21 ARG 26 1HH2 ARG 26 9.113 10.312 2.601 215 HH22 ARG 26 2HH2 ARG 26 8.344 11.844 2.870 216 H GLN 27 H GLN 27 4.912 8.289 -0.968 217 HA GLN 27 HA GLN 27 3.871 10.870 -0.449 218 HB2 GLN 27 2HB GLN 27 4.661 9.664 -3.150 219 HB3 GLN 27 3HB GLN 27 4.416 11.372 -2.836 220 HG2 GLN 27 2HG GLN 27 6.645 9.629 -1.761 221 HG3 GLN 27 3HG GLN 27 6.777 10.912 -2.952 222 HE21 GLN 27 1HE2 GLN 27 6.417 10.166 0.430 223 HE22 GLN 27 2HE2 GLN 27 6.747 11.755 1.023 224 H LEU 28 H LEU 28 2.715 8.127 -2.353 225 HA LEU 28 HA LEU 28 0.347 9.230 -3.396 226 HB2 LEU 28 2HB LEU 28 1.318 7.104 -4.196 227 HB3 LEU 28 3HB LEU 28 0.997 6.355 -2.640 228 HG LEU 28 HG LEU 28 -1.455 6.601 -3.034 229 HD11 LEU 28 1HD1 LEU 28 -0.684 7.632 -5.781 230 HD12 LEU 28 2HD1 LEU 28 -1.448 8.560 -4.488 231 HD13 LEU 28 3HD1 LEU 28 -2.316 7.227 -5.240 232 HD21 LEU 28 1HD2 LEU 28 -0.010 5.103 -5.245 233 HD22 LEU 28 2HD2 LEU 28 -1.673 4.831 -4.719 234 HD23 LEU 28 3HD2 LEU 28 -0.338 4.496 -3.620 235 H PHE 29 H PHE 29 0.989 7.498 -0.326 236 HA PHE 29 HA PHE 29 -1.728 7.546 0.591 237 HB2 PHE 29 2HB PHE 29 0.873 7.016 2.081 238 HB3 PHE 29 3HB PHE 29 -0.720 6.829 2.795 239 HD1 PHE 29 HD1 PHE 29 -2.288 5.447 0.729 240 HD2 PHE 29 HD2 PHE 29 1.787 4.849 1.878 241 HE1 PHE 29 HE1 PHE 29 -2.388 3.120 -0.058 242 HE2 PHE 29 HE2 PHE 29 1.663 2.521 1.081 243 HZ PHE 29 HZ PHE 29 -0.425 1.658 0.113 244 H GLU 30 H GLU 30 0.950 9.779 0.864 245 HA GLU 30 HA GLU 30 -0.227 11.461 2.919 246 HB2 GLU 30 2HB GLU 30 2.088 12.007 0.993 247 HB3 GLU 30 3HB GLU 30 1.624 13.061 2.320 248 HG2 GLU 30 2HG GLU 30 2.509 10.202 2.746 249 HG3 GLU 30 3HG GLU 30 3.638 11.537 2.679 250 H GLU 31 H GLU 31 -0.305 11.149 -0.532 251 HA GLU 31 HA GLU 31 -1.648 13.612 -1.157 252 HB2 GLU 31 2HB GLU 31 -0.268 12.161 -2.743 253 HB3 GLU 31 3HB GLU 31 -1.586 10.997 -2.736 254 HG2 GLU 31 2HG GLU 31 -1.703 12.342 -4.733 255 HG3 GLU 31 3HG GLU 31 -3.077 12.729 -3.694 256 H LEU 32 H LEU 32 -2.537 10.355 -0.257 257 HA LEU 32 HA LEU 32 -5.410 10.685 -0.560 258 HB2 LEU 32 2HB LEU 32 -3.745 8.452 0.674 259 HB3 LEU 32 3HB LEU 32 -5.487 8.382 0.433 260 HG LEU 32 HG LEU 32 -3.456 8.657 -1.810 261 HD11 LEU 32 1HD1 LEU 32 -4.909 6.163 -0.894 262 HD12 LEU 32 2HD1 LEU 32 -3.180 6.489 -0.761 263 HD13 LEU 32 3HD1 LEU 32 -3.917 6.304 -2.349 264 HD21 LEU 32 1HD2 LEU 32 -6.442 8.148 -1.940 265 HD22 LEU 32 2HD2 LEU 32 -5.331 8.163 -3.313 266 HD23 LEU 32 3HD2 LEU 32 -5.607 9.638 -2.393 267 H HIS 33 H HIS 33 -3.038 11.296 1.850 268 HA HIS 33 HA HIS 33 -4.315 10.914 4.281 269 HB2 HIS 33 2HB HIS 33 -1.899 11.624 3.848 270 HB3 HIS 33 3HB HIS 33 -2.472 13.268 3.636 271 HD1 HIS 33 HD1 HIS 33 -0.564 11.755 5.894 272 HD2 HIS 33 HD2 HIS 33 -4.258 13.596 6.399 273 HE1 HIS 33 HE1 HIS 33 -0.649 12.469 8.295 274 HE2 HIS 33 HE2 HIS 33 -2.802 13.729 8.518 275 H GLU 34 H GLU 34 -4.867 13.465 1.931 276 HA GLU 34 HA GLU 34 -6.125 15.395 3.557 277 HB2 GLU 34 2HB GLU 34 -7.054 16.333 1.472 278 HB3 GLU 34 3HB GLU 34 -5.354 15.924 1.295 279 HG2 GLU 34 2HG GLU 34 -5.900 13.932 0.026 280 HG3 GLU 34 3HG GLU 34 -7.619 14.171 0.317 281 H ARG 35 H ARG 35 -7.427 12.492 1.982 282 HA ARG 35 HA ARG 35 -10.170 13.151 2.894 283 HB2 ARG 35 2HB ARG 35 -10.943 11.321 1.392 284 HB3 ARG 35 3HB ARG 35 -10.140 12.618 0.538 285 HG2 ARG 35 2HG ARG 35 -8.373 10.332 1.252 286 HG3 ARG 35 3HG ARG 35 -9.669 9.945 0.124 287 HD2 ARG 35 2HD ARG 35 -7.657 12.187 -0.275 288 HD3 ARG 35 3HD ARG 35 -7.540 10.575 -0.994 289 HE ARG 35 HE ARG 35 -10.017 11.459 -1.711 290 HH11 ARG 35 1HH1 ARG 35 -6.758 12.700 -2.251 291 HH12 ARG 35 2HH1 ARG 35 -7.183 13.461 -3.748 292 HH21 ARG 35 1HH2 ARG 35 -10.543 12.440 -3.661 293 HH22 ARG 35 2HH2 ARG 35 -9.331 13.311 -4.546 294 H GLY 36 H GLY 36 -7.696 10.633 3.010 295 HA2 GLY 36 2HA GLY 36 -7.330 8.826 4.333 296 HA3 GLY 36 3HA GLY 36 -8.306 9.629 5.547 297 H THR 37 H THR 37 -9.253 8.494 2.323 298 HA THR 37 HA THR 37 -11.703 7.332 3.262 299 HB THR 37 HB THR 37 -11.536 8.456 1.053 300 HG1 THR 37 HG1 THR 37 -13.103 6.706 1.406 301 HG21 THR 37 1HG2 THR 37 -9.806 6.111 0.199 302 HG22 THR 37 2HG2 THR 37 -9.265 7.776 0.400 303 HG23 THR 37 3HG2 THR 37 -10.425 7.382 -0.866 304 H GLU 38 H GLU 38 -12.148 4.988 2.038 305 HA GLU 38 HA GLU 38 -10.667 3.004 3.401 306 HB2 GLU 38 2HB GLU 38 -11.851 1.403 1.696 307 HB3 GLU 38 3HB GLU 38 -12.799 2.229 2.910 308 HG2 GLU 38 2HG GLU 38 -12.571 3.640 0.305 309 HG3 GLU 38 3HG GLU 38 -13.447 2.121 0.268 310 H ILE 39 H ILE 39 -8.584 3.091 3.019 311 HA ILE 39 HA ILE 39 -7.408 2.763 0.353 312 HB ILE 39 HB ILE 39 -6.032 3.024 3.073 313 HG12 ILE 39 2HG1 ILE 39 -6.366 5.211 0.966 314 HG13 ILE 39 3HG1 ILE 39 -7.328 5.094 2.433 315 HG21 ILE 39 1HG2 ILE 39 -4.862 3.213 0.274 316 HG22 ILE 39 2HG2 ILE 39 -4.629 1.884 1.411 317 HG23 ILE 39 3HG2 ILE 39 -3.975 3.480 1.778 318 HD11 ILE 39 1HD1 ILE 39 -5.604 6.747 2.688 319 HD12 ILE 39 2HD1 ILE 39 -4.353 5.572 2.286 320 HD13 ILE 39 3HD1 ILE 39 -5.287 5.395 3.776 321 H VAL 40 H VAL 40 -7.443 0.707 -0.310 322 HA VAL 40 HA VAL 40 -7.003 -1.516 1.577 323 HB VAL 40 HB VAL 40 -8.413 -1.656 -1.132 324 HG11 VAL 40 1HG1 VAL 40 -9.115 -3.908 -0.366 325 HG12 VAL 40 2HG1 VAL 40 -8.154 -3.707 1.099 326 HG13 VAL 40 3HG1 VAL 40 -7.359 -3.764 -0.476 327 HG21 VAL 40 1HG2 VAL 40 -10.538 -1.861 0.106 328 HG22 VAL 40 2HG2 VAL 40 -9.764 -0.307 0.425 329 HG23 VAL 40 3HG2 VAL 40 -9.688 -1.592 1.631 330 H VAL 41 H VAL 41 -4.892 -1.996 1.442 331 HA VAL 41 HA VAL 41 -3.417 -1.785 -1.094 332 HB VAL 41 HB VAL 41 -2.426 -2.360 1.750 333 HG11 VAL 41 1HG1 VAL 41 -0.834 -1.716 -0.758 334 HG12 VAL 41 2HG1 VAL 41 -0.893 -3.275 0.066 335 HG13 VAL 41 3HG1 VAL 41 -0.172 -1.882 0.871 336 HG21 VAL 41 1HG2 VAL 41 -3.387 -0.101 1.555 337 HG22 VAL 41 2HG2 VAL 41 -2.355 0.238 0.164 338 HG23 VAL 41 3HG2 VAL 41 -1.635 -0.017 1.757 339 H GLU 42 H GLU 42 -3.500 -3.552 -2.333 340 HA GLU 42 HA GLU 42 -3.718 -6.252 -1.142 341 HB2 GLU 42 2HB GLU 42 -5.784 -5.476 -2.281 342 HB3 GLU 42 3HB GLU 42 -4.870 -5.202 -3.761 343 HG2 GLU 42 2HG GLU 42 -4.332 -7.640 -3.831 344 HG3 GLU 42 3HG GLU 42 -5.358 -7.879 -2.414 345 H VAL 43 H VAL 43 -1.776 -7.167 -1.337 346 HA VAL 43 HA VAL 43 0.123 -6.371 -3.426 347 HB VAL 43 HB VAL 43 0.579 -7.875 -0.793 348 HG11 VAL 43 1HG1 VAL 43 2.972 -7.364 -1.123 349 HG12 VAL 43 2HG1 VAL 43 2.605 -6.651 -2.697 350 HG13 VAL 43 3HG1 VAL 43 2.333 -8.374 -2.420 351 HG21 VAL 43 1HG2 VAL 43 1.472 -5.757 0.102 352 HG22 VAL 43 2HG2 VAL 43 -0.217 -5.579 -0.375 353 HG23 VAL 43 3HG2 VAL 43 1.060 -4.935 -1.406 354 H HIS 44 H HIS 44 -0.196 -7.656 -5.161 355 HA HIS 44 HA HIS 44 -0.830 -10.498 -4.981 356 HB2 HIS 44 2HB HIS 44 -0.417 -8.668 -7.399 357 HB3 HIS 44 3HB HIS 44 -0.878 -10.362 -7.504 358 HD1 HIS 44 HD1 HIS 44 -2.641 -8.271 -8.767 359 HD2 HIS 44 HD2 HIS 44 -3.171 -9.618 -4.881 360 HE1 HIS 44 HE1 HIS 44 -5.053 -7.851 -8.234 361 HE2 HIS 44 HE2 HIS 44 -5.387 -8.880 -5.971 362 H ILE 45 H ILE 45 0.970 -11.660 -4.369 363 HA ILE 45 HA ILE 45 3.316 -11.543 -6.185 364 HB ILE 45 HB ILE 45 3.474 -12.286 -3.220 365 HG12 ILE 45 2HG1 ILE 45 4.383 -9.706 -4.596 366 HG13 ILE 45 3HG1 ILE 45 3.062 -9.854 -3.442 367 HG21 ILE 45 1HG2 ILE 45 5.666 -11.919 -5.306 368 HG22 ILE 45 2HG2 ILE 45 5.129 -13.455 -4.622 369 HG23 ILE 45 3HG2 ILE 45 5.929 -12.268 -3.595 370 HD11 ILE 45 1HD1 ILE 45 4.642 -10.458 -1.693 371 HD12 ILE 45 2HD1 ILE 45 5.031 -8.900 -2.419 372 HD13 ILE 45 3HD1 ILE 45 5.977 -10.325 -2.842 373 H ASN 46 H ASN 46 3.464 -13.346 -7.325 374 HA ASN 46 HA ASN 46 3.600 -15.513 -7.960 375 HB2 ASN 46 2HB ASN 46 3.636 -15.965 -4.948 376 HB3 ASN 46 3HB ASN 46 3.874 -17.269 -6.109 377 HD21 ASN 46 1HD2 ASN 46 5.662 -15.985 -4.050 378 HD22 ASN 46 2HD2 ASN 46 7.106 -15.633 -4.923 379 H GLY 47 H GLY 47 0.921 -14.201 -7.437 380 HA2 GLY 47 2HA GLY 47 -1.149 -15.013 -8.290 381 HA3 GLY 47 3HA GLY 47 -0.768 -16.622 -7.680 382 H GLU 48 H GLU 48 0.163 -15.178 -5.115 383 HA GLU 48 HA GLU 48 -2.356 -15.327 -3.683 384 HB2 GLU 48 2HB GLU 48 0.470 -14.711 -2.714 385 HB3 GLU 48 3HB GLU 48 -0.923 -14.980 -1.668 386 HG2 GLU 48 2HG GLU 48 -1.102 -17.292 -2.489 387 HG3 GLU 48 3HG GLU 48 0.274 -17.023 -3.557 388 H ARG 49 H ARG 49 -3.191 -13.637 -2.403 389 HA ARG 49 HA ARG 49 -2.332 -10.874 -3.047 390 HB2 ARG 49 2HB ARG 49 -4.781 -10.259 -2.789 391 HB3 ARG 49 3HB ARG 49 -4.420 -11.255 -4.191 392 HG2 ARG 49 2HG ARG 49 -5.217 -13.262 -2.874 393 HG3 ARG 49 3HG ARG 49 -5.737 -12.151 -1.606 394 HD2 ARG 49 2HD ARG 49 -7.252 -11.037 -3.221 395 HD3 ARG 49 3HD ARG 49 -6.731 -12.165 -4.478 396 HE ARG 49 HE ARG 49 -7.743 -13.548 -2.192 397 HH11 ARG 49 1HH1 ARG 49 -8.837 -11.762 -5.036 398 HH12 ARG 49 2HH1 ARG 49 -10.366 -12.577 -5.084 399 HH21 ARG 49 1HH2 ARG 49 -9.779 -14.577 -2.288 400 HH22 ARG 49 2HH2 ARG 49 -10.893 -14.147 -3.547 401 H ASP 50 H ASP 50 -1.744 -9.735 -1.300 402 HA ASP 50 HA ASP 50 -2.718 -10.463 1.407 403 HB2 ASP 50 2HB ASP 50 -0.226 -10.311 1.160 404 HB3 ASP 50 3HB ASP 50 -0.403 -8.684 0.524 405 H GLU 51 H GLU 51 -4.512 -9.281 1.887 406 HA GLU 51 HA GLU 51 -4.929 -6.664 0.541 407 HB2 GLU 51 2HB GLU 51 -6.359 -8.601 -0.259 408 HB3 GLU 51 3HB GLU 51 -7.090 -8.663 1.344 409 HG2 GLU 51 2HG GLU 51 -7.824 -6.292 1.043 410 HG3 GLU 51 3HG GLU 51 -7.194 -6.339 -0.604 411 H ILE 52 H ILE 52 -4.919 -5.032 1.923 412 HA ILE 52 HA ILE 52 -5.700 -5.423 4.760 413 HB ILE 52 HB ILE 52 -3.680 -3.348 3.770 414 HG12 ILE 52 2HG1 ILE 52 -2.853 -6.000 5.042 415 HG13 ILE 52 3HG1 ILE 52 -2.936 -5.795 3.297 416 HG21 ILE 52 1HG2 ILE 52 -3.012 -3.284 6.168 417 HG22 ILE 52 2HG2 ILE 52 -4.245 -4.489 6.541 418 HG23 ILE 52 3HG2 ILE 52 -4.721 -2.894 5.955 419 HD11 ILE 52 1HD1 ILE 52 -1.282 -4.021 3.410 420 HD12 ILE 52 2HD1 ILE 52 -0.685 -5.525 4.111 421 HD13 ILE 52 3HD1 ILE 52 -1.193 -4.205 5.164 422 H ARG 53 H ARG 53 -7.708 -4.526 4.848 423 HA ARG 53 HA ARG 53 -8.410 -2.044 3.456 424 HB2 ARG 53 2HB ARG 53 -9.977 -3.792 5.427 425 HB3 ARG 53 3HB ARG 53 -10.606 -2.310 4.721 426 HG2 ARG 53 2HG ARG 53 -11.556 -4.173 3.553 427 HG3 ARG 53 3HG ARG 53 -10.443 -3.352 2.458 428 HD2 ARG 53 2HD ARG 53 -10.356 -5.851 2.354 429 HD3 ARG 53 3HD ARG 53 -8.798 -5.102 2.726 430 HE ARG 53 HE ARG 53 -9.947 -5.678 5.168 431 HH11 ARG 53 1HH1 ARG 53 -9.054 -7.596 2.371 432 HH12 ARG 53 2HH1 ARG 53 -8.733 -9.017 3.304 433 HH21 ARG 53 1HH2 ARG 53 -9.464 -7.534 6.392 434 HH22 ARG 53 2HH2 ARG 53 -8.967 -8.986 5.584 435 H VAL 54 H VAL 54 -8.009 -0.067 4.386 436 HA VAL 54 HA VAL 54 -8.283 0.226 7.297 437 HB VAL 54 HB VAL 54 -5.777 0.078 6.608 438 HG11 VAL 54 1HG1 VAL 54 -5.807 1.470 4.611 439 HG12 VAL 54 2HG1 VAL 54 -4.674 2.103 5.803 440 HG13 VAL 54 3HG1 VAL 54 -6.240 2.883 5.576 441 HG21 VAL 54 1HG2 VAL 54 -6.724 2.474 8.197 442 HG22 VAL 54 2HG2 VAL 54 -5.117 1.750 8.279 443 HG23 VAL 54 3HG2 VAL 54 -6.525 0.828 8.803 444 H ARG 55 H ARG 55 -9.295 2.132 7.903 445 HA ARG 55 HA ARG 55 -9.870 4.192 5.857 446 HB2 ARG 55 2HB ARG 55 -12.005 3.124 7.773 447 HB3 ARG 55 3HB ARG 55 -12.215 4.357 6.537 448 HG2 ARG 55 2HG ARG 55 -11.662 2.537 4.827 449 HG3 ARG 55 3HG ARG 55 -11.817 1.391 6.151 450 HD2 ARG 55 2HD ARG 55 -13.909 1.460 4.943 451 HD3 ARG 55 3HD ARG 55 -14.163 2.214 6.521 452 HE ARG 55 HE ARG 55 -13.773 3.729 3.992 453 HH11 ARG 55 1HH1 ARG 55 -15.368 3.432 7.121 454 HH12 ARG 55 2HH1 ARG 55 -16.282 4.887 6.905 455 HH21 ARG 55 1HH2 ARG 55 -14.973 5.615 3.733 456 HH22 ARG 55 2HH2 ARG 55 -16.061 6.126 4.990 457 H ASN 56 H ASN 56 -9.512 6.176 6.612 458 HA ASN 56 HA ASN 56 -9.286 8.018 7.882 459 HB2 ASN 56 2HB ASN 56 -11.096 6.636 9.911 460 HB3 ASN 56 3HB ASN 56 -10.822 8.366 9.758 461 HD21 ASN 56 1HD2 ASN 56 -11.028 8.297 6.811 462 HD22 ASN 56 2HD2 ASN 56 -12.696 8.089 6.466 463 H ILE 57 H ILE 57 -7.033 7.629 8.216 464 HA ILE 57 HA ILE 57 -6.232 6.973 10.952 465 HB ILE 57 HB ILE 57 -4.328 5.453 9.877 466 HG12 ILE 57 2HG1 ILE 57 -5.275 4.021 7.978 467 HG13 ILE 57 3HG1 ILE 57 -6.523 5.234 7.754 468 HG21 ILE 57 1HG2 ILE 57 -5.663 3.440 10.305 469 HG22 ILE 57 2HG2 ILE 57 -7.144 4.398 10.271 470 HG23 ILE 57 3HG2 ILE 57 -5.947 4.670 11.540 471 HD11 ILE 57 1HD1 ILE 57 -3.561 5.689 7.433 472 HD12 ILE 57 2HD1 ILE 57 -4.846 6.845 7.066 473 HD13 ILE 57 3HD1 ILE 57 -4.695 5.357 6.126 474 H SER 58 H SER 58 -3.859 7.307 11.302 475 HA SER 58 HA SER 58 -3.041 9.902 10.260 476 HB2 SER 58 2HB SER 58 -1.639 8.118 12.303 477 HB3 SER 58 3HB SER 58 -1.409 9.854 12.071 478 HG SER 58 HG SER 58 -3.468 8.468 13.333 479 H LYS 59 H LYS 59 -0.510 10.118 9.872 480 HA LYS 59 HA LYS 59 0.068 8.414 7.625 481 HB2 LYS 59 2HB LYS 59 2.043 9.840 7.220 482 HB3 LYS 59 3HB LYS 59 0.542 10.735 7.343 483 HG2 LYS 59 2HG LYS 59 1.993 12.103 8.502 484 HG3 LYS 59 3HG LYS 59 1.270 11.173 9.811 485 HD2 LYS 59 2HD LYS 59 3.252 9.734 9.925 486 HD3 LYS 59 3HD LYS 59 3.968 10.555 8.536 487 HE2 LYS 59 2HE LYS 59 3.332 11.870 11.198 488 HE3 LYS 59 3HE LYS 59 4.927 11.308 10.703 489 HZ1 LYS 59 1HZ LYS 59 4.891 12.876 8.886 490 HZ2 LYS 59 2HZ LYS 59 4.648 13.679 10.353 491 HZ3 LYS 59 3HZ LYS 59 3.343 13.399 9.318 492 H GLU 60 H GLU 60 1.095 8.507 10.939 493 HA GLU 60 HA GLU 60 3.258 6.627 10.644 494 HB2 GLU 60 2HB GLU 60 3.225 6.469 13.072 495 HB3 GLU 60 3HB GLU 60 3.090 8.153 12.586 496 HG2 GLU 60 2HG GLU 60 0.664 8.112 13.054 497 HG3 GLU 60 3HG GLU 60 0.775 6.413 13.511 498 H GLU 61 H GLU 61 -0.147 6.363 10.623 499 HA GLU 61 HA GLU 61 -0.241 3.559 11.451 500 HB2 GLU 61 2HB GLU 61 -2.519 5.378 10.558 501 HB3 GLU 61 3HB GLU 61 -2.680 3.777 11.277 502 HG2 GLU 61 2HG GLU 61 -1.451 4.747 13.330 503 HG3 GLU 61 3HG GLU 61 -1.716 6.323 12.597 504 H LEU 62 H LEU 62 -0.867 5.515 8.487 505 HA LEU 62 HA LEU 62 -1.250 3.235 6.813 506 HB2 LEU 62 2HB LEU 62 -0.963 4.770 4.880 507 HB3 LEU 62 3HB LEU 62 -2.141 5.323 6.046 508 HG LEU 62 HG LEU 62 -0.240 6.858 6.946 509 HD11 LEU 62 1HD1 LEU 62 1.688 6.004 5.801 510 HD12 LEU 62 2HD1 LEU 62 1.395 7.648 5.243 511 HD13 LEU 62 3HD1 LEU 62 0.947 6.276 4.225 512 HD21 LEU 62 1HD2 LEU 62 -2.219 7.778 5.914 513 HD22 LEU 62 2HD2 LEU 62 -1.585 7.458 4.298 514 HD23 LEU 62 3HD2 LEU 62 -0.805 8.658 5.331 515 H LYS 63 H LYS 63 1.564 4.812 8.073 516 HA LYS 63 HA LYS 63 3.629 3.876 6.501 517 HB2 LYS 63 2HB LYS 63 3.415 5.140 8.984 518 HB3 LYS 63 3HB LYS 63 4.103 3.600 9.445 519 HG2 LYS 63 2HG LYS 63 5.269 5.590 7.490 520 HG3 LYS 63 3HG LYS 63 5.830 5.293 9.128 521 HD2 LYS 63 2HD LYS 63 6.011 3.367 6.772 522 HD3 LYS 63 3HD LYS 63 7.351 4.225 7.529 523 HE2 LYS 63 2HE LYS 63 5.655 2.078 8.848 524 HE3 LYS 63 3HE LYS 63 7.285 1.863 8.220 525 HZ1 LYS 63 1HZ LYS 63 8.111 3.391 9.870 526 HZ2 LYS 63 2HZ LYS 63 7.233 2.164 10.625 527 HZ3 LYS 63 3HZ LYS 63 6.549 3.695 10.434 528 H LYS 64 H LYS 64 1.625 2.165 8.864 529 HA LYS 64 HA LYS 64 3.128 -0.225 9.064 530 HB2 LYS 64 2HB LYS 64 0.110 0.142 9.367 531 HB3 LYS 64 3HB LYS 64 1.043 -1.219 9.966 532 HG2 LYS 64 2HG LYS 64 1.364 1.643 10.924 533 HG3 LYS 64 3HG LYS 64 0.395 0.421 11.737 534 HD2 LYS 64 2HD LYS 64 3.408 0.304 11.316 535 HD3 LYS 64 3HD LYS 64 2.599 0.734 12.821 536 HE2 LYS 64 2HE LYS 64 2.493 -1.968 11.437 537 HE3 LYS 64 3HE LYS 64 3.375 -1.583 12.913 538 HZ1 LYS 64 1HZ LYS 64 1.354 -2.692 13.469 539 HZ2 LYS 64 2HZ LYS 64 0.430 -1.615 12.552 540 HZ3 LYS 64 3HZ LYS 64 1.207 -1.080 13.955 541 H LEU 65 H LEU 65 0.767 0.924 6.665 542 HA LEU 65 HA LEU 65 0.222 -1.515 5.323 543 HB2 LEU 65 2HB LEU 65 0.397 1.276 4.094 544 HB3 LEU 65 3HB LEU 65 -0.423 -0.102 3.387 545 HG LEU 65 HG LEU 65 -1.252 1.290 5.964 546 HD11 LEU 65 1HD1 LEU 65 -1.615 2.698 3.979 547 HD12 LEU 65 2HD1 LEU 65 -3.138 2.186 4.693 548 HD13 LEU 65 3HD1 LEU 65 -2.554 1.408 3.222 549 HD21 LEU 65 1HD2 LEU 65 -1.838 -1.094 6.002 550 HD22 LEU 65 2HD2 LEU 65 -2.642 -0.939 4.438 551 HD23 LEU 65 3HD2 LEU 65 -3.286 -0.096 5.849 552 H LEU 66 H LEU 66 2.739 0.951 4.838 553 HA LEU 66 HA LEU 66 4.092 -0.099 2.609 554 HB2 LEU 66 2HB LEU 66 5.154 1.565 4.928 555 HB3 LEU 66 3HB LEU 66 6.147 1.113 3.556 556 HG LEU 66 HG LEU 66 4.618 2.419 2.058 557 HD11 LEU 66 1HD1 LEU 66 2.585 2.411 3.413 558 HD12 LEU 66 2HD1 LEU 66 3.079 4.048 3.000 559 HD13 LEU 66 3HD1 LEU 66 3.373 3.423 4.625 560 HD21 LEU 66 1HD2 LEU 66 5.510 4.593 2.714 561 HD22 LEU 66 2HD2 LEU 66 6.731 3.345 2.886 562 HD23 LEU 66 3HD2 LEU 66 5.911 3.980 4.316 563 H GLU 67 H GLU 67 4.627 -0.615 6.102 564 HA GLU 67 HA GLU 67 6.944 -2.243 5.703 565 HB2 GLU 67 2HB GLU 67 7.033 -2.541 8.058 566 HB3 GLU 67 3HB GLU 67 6.451 -0.902 7.799 567 HG2 GLU 67 2HG GLU 67 4.175 -1.598 8.304 568 HG3 GLU 67 3HG GLU 67 4.706 -3.260 8.502 569 H ARG 68 H ARG 68 3.493 -2.966 5.957 570 HA ARG 68 HA ARG 68 3.701 -5.781 6.297 571 HB2 ARG 68 2HB ARG 68 1.521 -4.167 4.920 572 HB3 ARG 68 3HB ARG 68 1.389 -5.876 5.300 573 HG2 ARG 68 2HG ARG 68 1.773 -3.735 7.403 574 HG3 ARG 68 3HG ARG 68 0.195 -4.284 6.858 575 HD2 ARG 68 2HD ARG 68 0.773 -5.365 8.943 576 HD3 ARG 68 3HD ARG 68 0.741 -6.563 7.654 577 HE ARG 68 HE ARG 68 3.015 -6.878 7.879 578 HH11 ARG 68 1HH1 ARG 68 2.077 -4.192 9.955 579 HH12 ARG 68 2HH1 ARG 68 3.597 -4.172 10.794 580 HH21 ARG 68 1HH2 ARG 68 4.982 -6.823 8.986 581 HH22 ARG 68 2HH2 ARG 68 5.234 -5.662 10.246 582 H ILE 69 H ILE 69 3.793 -3.686 3.462 583 HA ILE 69 HA ILE 69 3.742 -5.683 1.441 584 HB ILE 69 HB ILE 69 4.964 -2.879 1.312 585 HG12 ILE 69 2HG1 ILE 69 2.168 -3.747 0.450 586 HG13 ILE 69 3HG1 ILE 69 2.524 -2.935 1.965 587 HG21 ILE 69 1HG2 ILE 69 4.662 -3.041 -1.149 588 HG22 ILE 69 2HG2 ILE 69 4.119 -4.710 -0.969 589 HG23 ILE 69 3HG2 ILE 69 5.774 -4.271 -0.544 590 HD11 ILE 69 1HD1 ILE 69 1.652 -1.382 0.352 591 HD12 ILE 69 2HD1 ILE 69 2.928 -1.796 -0.793 592 HD13 ILE 69 3HD1 ILE 69 3.329 -0.985 0.725 593 H ARG 70 H ARG 70 6.466 -3.939 3.083 594 HA ARG 70 HA ARG 70 8.518 -5.132 1.571 595 HB2 ARG 70 2HB ARG 70 10.136 -4.282 3.105 596 HB3 ARG 70 3HB ARG 70 8.856 -3.082 3.015 597 HG2 ARG 70 2HG ARG 70 8.009 -3.718 5.181 598 HG3 ARG 70 3HG ARG 70 9.083 -5.110 5.254 599 HD2 ARG 70 2HD ARG 70 10.062 -2.237 5.175 600 HD3 ARG 70 3HD ARG 70 9.795 -3.142 6.664 601 HE ARG 70 HE ARG 70 11.904 -3.602 4.678 602 HH11 ARG 70 1HH1 ARG 70 10.465 -4.597 7.744 603 HH12 ARG 70 2HH1 ARG 70 11.857 -5.517 8.221 604 HH21 ARG 70 1HH2 ARG 70 13.680 -4.847 5.313 605 HH22 ARG 70 2HH2 ARG 70 13.670 -5.656 6.850 606 H GLU 71 H GLU 71 6.876 -6.224 4.541 607 HA GLU 71 HA GLU 71 8.516 -8.413 5.181 608 HB2 GLU 71 2HB GLU 71 5.495 -8.239 5.534 609 HB3 GLU 71 3HB GLU 71 6.546 -9.403 6.329 610 HG2 GLU 71 2HG GLU 71 6.450 -6.423 6.769 611 HG3 GLU 71 3HG GLU 71 5.953 -7.674 7.891 612 H LYS 72 H LYS 72 5.949 -8.071 2.753 613 HA LYS 72 HA LYS 72 5.723 -10.903 2.204 614 HB2 LYS 72 2HB LYS 72 4.649 -8.564 0.549 615 HB3 LYS 72 3HB LYS 72 4.210 -10.254 0.355 616 HG2 LYS 72 2HG LYS 72 3.420 -8.336 2.536 617 HG3 LYS 72 3HG LYS 72 2.392 -9.360 1.535 618 HD2 LYS 72 2HD LYS 72 3.295 -11.367 2.749 619 HD3 LYS 72 3HD LYS 72 4.218 -10.279 3.788 620 HE2 LYS 72 2HE LYS 72 1.205 -10.542 3.611 621 HE3 LYS 72 3HE LYS 72 2.239 -10.927 4.987 622 HZ1 LYS 72 1HZ LYS 72 1.605 -8.246 3.893 623 HZ2 LYS 72 2HZ LYS 72 2.823 -8.509 5.038 624 HZ3 LYS 72 3HZ LYS 72 1.211 -8.858 5.421 625 H ILE 73 H ILE 73 7.157 -8.095 0.493 626 HA ILE 73 HA ILE 73 8.012 -9.578 -1.780 627 HB ILE 73 HB ILE 73 9.259 -7.578 -2.493 628 HG12 ILE 73 2HG1 ILE 73 8.885 -5.454 -0.850 629 HG13 ILE 73 3HG1 ILE 73 8.944 -6.700 0.382 630 HG21 ILE 73 1HG2 ILE 73 6.550 -6.867 -1.304 631 HG22 ILE 73 2HG2 ILE 73 6.830 -7.642 -2.864 632 HG23 ILE 73 3HG2 ILE 73 7.370 -5.984 -2.597 633 HD11 ILE 73 1HD1 ILE 73 11.123 -6.112 -1.622 634 HD12 ILE 73 2HD1 ILE 73 11.201 -7.304 -0.320 635 HD13 ILE 73 3HD1 ILE 73 11.086 -5.587 0.060 636 H GLU 74 H GLU 74 9.507 -8.961 1.331 637 HA GLU 74 HA GLU 74 12.146 -9.916 0.648 638 HB2 GLU 74 2HB GLU 74 10.756 -9.455 3.319 639 HB3 GLU 74 3HB GLU 74 12.424 -9.994 3.193 640 HG2 GLU 74 2HG GLU 74 11.384 -7.397 2.043 641 HG3 GLU 74 3HG GLU 74 12.148 -7.549 3.620 642 H ARG 75 H ARG 75 9.362 -11.272 2.431 643 HA ARG 75 HA ARG 75 10.531 -13.690 3.240 644 HB2 ARG 75 2HB ARG 75 8.507 -12.648 4.237 645 HB3 ARG 75 3HB ARG 75 7.596 -13.013 2.776 646 HG2 ARG 75 2HG ARG 75 7.995 -15.459 3.238 647 HG3 ARG 75 3HG ARG 75 8.717 -14.992 4.782 648 HD2 ARG 75 2HD ARG 75 6.329 -15.644 5.012 649 HD3 ARG 75 3HD ARG 75 6.606 -13.964 5.496 650 HE ARG 75 HE ARG 75 5.939 -13.892 2.813 651 HH11 ARG 75 1HH1 ARG 75 4.278 -14.901 5.766 652 HH12 ARG 75 2HH1 ARG 75 2.707 -14.545 5.121 653 HH21 ARG 75 1HH2 ARG 75 3.925 -13.483 1.987 654 HH22 ARG 75 2HH2 ARG 75 2.513 -13.735 2.968 655 H GLU 76 H GLU 76 8.415 -12.951 0.478 656 HA GLU 76 HA GLU 76 8.526 -15.537 -0.738 657 HB2 GLU 76 2HB GLU 76 7.579 -12.802 -1.652 658 HB3 GLU 76 3HB GLU 76 7.724 -14.109 -2.821 659 HG2 GLU 76 2HG GLU 76 5.428 -13.895 -2.044 660 HG3 GLU 76 3HG GLU 76 6.094 -15.446 -1.577 661 H GLY 77 H GLY 77 10.378 -12.525 -1.102 662 HA2 GLY 77 2HA GLY 77 12.308 -11.985 -2.228 663 HA3 GLY 77 3HA GLY 77 12.715 -13.698 -2.175 664 H SER 78 H SER 78 10.113 -11.860 -3.737 665 HA SER 78 HA SER 78 10.647 -13.249 -6.300 666 HB2 SER 78 2HB SER 78 8.735 -14.290 -5.155 667 HB3 SER 78 3HB SER 78 7.967 -12.718 -4.942 668 HG SER 78 HG SER 78 7.572 -14.332 -6.898 669 H SER 79 H SER 79 10.153 -12.129 -8.178 670 HA SER 79 HA SER 79 9.845 -9.206 -8.014 671 HB2 SER 79 2HB SER 79 10.555 -10.951 -10.414 672 HB3 SER 79 3HB SER 79 10.645 -9.190 -10.340 673 HG SER 79 HG SER 79 12.415 -9.307 -9.140 674 H GLU 80 H GLU 80 7.801 -11.720 -8.109 675 HA GLU 80 HA GLU 80 6.003 -10.978 -10.277 676 HB2 GLU 80 2HB GLU 80 6.525 -13.384 -9.530 677 HB3 GLU 80 3HB GLU 80 5.628 -13.050 -8.058 678 HG2 GLU 80 2HG GLU 80 4.202 -14.285 -9.532 679 HG3 GLU 80 3HG GLU 80 3.586 -12.641 -9.452 680 H VAL 81 H VAL 81 6.301 -8.813 -8.602 681 HA VAL 81 HA VAL 81 4.210 -8.816 -6.520 682 HB VAL 81 HB VAL 81 6.479 -6.809 -6.961 683 HG11 VAL 81 1HG1 VAL 81 5.957 -6.013 -4.687 684 HG12 VAL 81 2HG1 VAL 81 4.619 -7.157 -4.583 685 HG13 VAL 81 3HG1 VAL 81 4.563 -5.841 -5.757 686 HG21 VAL 81 1HG2 VAL 81 6.364 -9.105 -4.974 687 HG22 VAL 81 2HG2 VAL 81 7.640 -7.891 -5.079 688 HG23 VAL 81 3HG2 VAL 81 7.393 -9.027 -6.407 689 H GLU 82 H GLU 82 2.384 -7.700 -6.847 690 HA GLU 82 HA GLU 82 2.334 -5.281 -8.526 691 HB2 GLU 82 2HB GLU 82 1.399 -7.183 -9.889 692 HB3 GLU 82 3HB GLU 82 0.210 -7.482 -8.622 693 HG2 GLU 82 2HG GLU 82 -0.660 -5.139 -8.977 694 HG3 GLU 82 3HG GLU 82 0.441 -4.990 -10.344 695 H VAL 83 H VAL 83 1.921 -3.776 -6.969 696 HA VAL 83 HA VAL 83 0.220 -4.445 -4.651 697 HB VAL 83 HB VAL 83 1.970 -1.969 -5.124 698 HG11 VAL 83 1HG1 VAL 83 1.640 -1.529 -2.703 699 HG12 VAL 83 2HG1 VAL 83 0.540 -2.905 -2.605 700 HG13 VAL 83 3HG1 VAL 83 0.113 -1.503 -3.588 701 HG21 VAL 83 1HG2 VAL 83 3.567 -2.970 -3.529 702 HG22 VAL 83 2HG2 VAL 83 3.344 -4.013 -4.937 703 HG23 VAL 83 3HG2 VAL 83 2.559 -4.416 -3.410 704 H ASN 84 H ASN 84 -1.869 -3.977 -4.885 705 HA ASN 84 HA ASN 84 -2.806 -1.857 -6.715 706 HB2 ASN 84 2HB ASN 84 -4.301 -4.188 -5.402 707 HB3 ASN 84 3HB ASN 84 -5.046 -2.986 -6.445 708 HD21 ASN 84 1HD2 ASN 84 -1.922 -4.701 -6.929 709 HD22 ASN 84 2HD2 ASN 84 -2.428 -5.489 -8.373 710 H VAL 85 H VAL 85 -2.848 0.005 -5.563 711 HA VAL 85 HA VAL 85 -3.906 0.084 -2.819 712 HB VAL 85 HB VAL 85 -2.729 2.330 -4.540 713 HG11 VAL 85 1HG1 VAL 85 -4.296 3.221 -2.875 714 HG12 VAL 85 2HG1 VAL 85 -2.641 3.639 -2.435 715 HG13 VAL 85 3HG1 VAL 85 -3.474 2.336 -1.586 716 HG21 VAL 85 1HG2 VAL 85 -0.715 2.130 -3.102 717 HG22 VAL 85 2HG2 VAL 85 -1.024 0.645 -4.000 718 HG23 VAL 85 3HG2 VAL 85 -1.434 0.737 -2.286 719 H HIS 86 H HIS 86 -6.048 0.103 -2.729 720 HA HIS 86 HA HIS 86 -7.719 1.330 -4.838 721 HB2 HIS 86 2HB HIS 86 -8.535 -0.479 -2.501 722 HB3 HIS 86 3HB HIS 86 -9.545 -0.010 -3.862 723 HD1 HIS 86 HD1 HIS 86 -8.795 -1.041 -6.244 724 HD2 HIS 86 HD2 HIS 86 -7.108 -2.809 -2.878 725 HE1 HIS 86 HE1 HIS 86 -7.909 -3.263 -7.007 726 HE2 HIS 86 HE2 HIS 86 -7.058 -4.380 -4.929 727 H SER 87 H SER 87 -8.316 3.438 -4.350 728 HA SER 87 HA SER 87 -9.117 4.184 -1.648 729 HB2 SER 87 2HB SER 87 -6.597 4.402 -1.666 730 HB3 SER 87 3HB SER 87 -6.750 5.596 -2.956 731 HG SER 87 HG SER 87 -7.599 5.763 -0.272 732 H GLY 88 H GLY 88 -10.981 5.157 -2.041 733 HA2 GLY 88 2HA GLY 88 -12.593 6.574 -2.860 734 HA3 GLY 88 3HA GLY 88 -11.304 7.525 -3.577 735 H GLY 89 H GLY 89 -11.798 4.122 -4.318 736 HA2 GLY 89 2HA GLY 89 -12.628 3.031 -6.195 737 HA3 GLY 89 3HA GLY 89 -13.184 4.569 -6.843 738 H GLN 90 H GLN 90 -10.042 5.073 -6.015 739 HA GLN 90 HA GLN 90 -9.083 4.752 -8.774 740 HB2 GLN 90 2HB GLN 90 -7.761 6.169 -6.413 741 HB3 GLN 90 3HB GLN 90 -7.303 6.302 -8.108 742 HG2 GLN 90 2HG GLN 90 -9.386 7.474 -8.614 743 HG3 GLN 90 3HG GLN 90 -9.932 7.265 -6.948 744 HE21 GLN 90 1HE2 GLN 90 -8.866 8.475 -5.275 745 HE22 GLN 90 2HE2 GLN 90 -7.983 9.917 -5.645 746 H THR 91 H THR 91 -7.717 3.101 -9.286 747 HA THR 91 HA THR 91 -6.404 1.537 -7.128 748 HB THR 91 HB THR 91 -7.512 0.576 -9.808 749 HG1 THR 91 HG1 THR 91 -8.884 1.068 -7.776 750 HG21 THR 91 1HG2 THR 91 -6.962 -1.713 -9.001 751 HG22 THR 91 2HG2 THR 91 -6.162 -1.023 -7.588 752 HG23 THR 91 3HG2 THR 91 -5.508 -0.734 -9.202 753 H TRP 92 H TRP 92 -4.280 2.035 -7.139 754 HA TRP 92 HA TRP 92 -2.807 2.449 -9.674 755 HB2 TRP 92 2HB TRP 92 -1.945 2.928 -6.779 756 HB3 TRP 92 3HB TRP 92 -0.974 3.291 -8.204 757 HD1 TRP 92 HD1 TRP 92 -1.724 5.457 -9.684 758 HE1 TRP 92 HE1 TRP 92 -3.126 7.525 -9.073 759 HE3 TRP 92 HE3 TRP 92 -3.954 3.720 -5.420 760 HZ2 TRP 92 HZ2 TRP 92 -4.910 8.334 -7.051 761 HZ3 TRP 92 HZ3 TRP 92 -5.491 5.200 -4.203 762 HH2 TRP 92 HH2 TRP 92 -5.963 7.462 -5.002 763 H THR 93 H THR 93 -1.695 0.757 -10.478 764 HA THR 93 HA THR 93 -1.065 -1.586 -8.783 765 HB THR 93 HB THR 93 -0.791 -2.743 -11.064 766 HG1 THR 93 HG1 THR 93 -1.680 -1.659 -12.855 767 HG21 THR 93 1HG2 THR 93 -3.224 -2.982 -11.469 768 HG22 THR 93 2HG2 THR 93 -3.536 -1.582 -10.440 769 HG23 THR 93 3HG2 THR 93 -2.854 -3.055 -9.747 770 H PHE 94 H PHE 94 0.992 -1.684 -8.092 771 HA PHE 94 HA PHE 94 3.191 -0.381 -9.583 772 HB2 PHE 94 2HB PHE 94 3.045 -1.274 -6.661 773 HB3 PHE 94 3HB PHE 94 4.436 -0.497 -7.413 774 HD1 PHE 94 HD1 PHE 94 4.314 1.895 -8.110 775 HD2 PHE 94 HD2 PHE 94 1.113 0.038 -5.956 776 HE1 PHE 94 HE1 PHE 94 3.398 4.108 -7.553 777 HE2 PHE 94 HE2 PHE 94 0.210 2.261 -5.403 778 HZ PHE 94 HZ PHE 94 1.350 4.293 -6.201 779 H ASN 95 H ASN 95 4.258 -1.752 -10.872 780 HA ASN 95 HA ASN 95 4.733 -4.570 -10.073 781 HB2 ASN 95 2HB ASN 95 4.644 -3.235 -12.812 782 HB3 ASN 95 3HB ASN 95 5.280 -4.860 -12.575 783 HD21 ASN 95 1HD2 ASN 95 3.378 -5.775 -10.661 784 HD22 ASN 95 2HD2 ASN 95 1.876 -5.941 -11.493 785 H GLU 96 H GLU 96 6.822 -5.389 -10.083 786 HA GLU 96 HA GLU 96 9.086 -3.573 -10.596 787 HB2 GLU 96 2HB GLU 96 9.093 -5.029 -8.528 788 HB3 GLU 96 3HB GLU 96 9.129 -6.453 -9.564 789 HG2 GLU 96 2HG GLU 96 11.304 -5.694 -10.503 790 HG3 GLU 96 3HG GLU 96 11.270 -4.298 -9.431 791 H LYS 97 H LYS 97 10.279 -3.728 -12.424 792 HA LYS 97 HA LYS 97 9.736 -5.866 -14.393 793 HB2 LYS 97 2HB LYS 97 11.008 -3.120 -14.780 794 HB3 LYS 97 3HB LYS 97 10.709 -4.293 -16.060 795 HG2 LYS 97 2HG LYS 97 8.327 -4.049 -15.862 796 HG3 LYS 97 3HG LYS 97 8.475 -3.121 -14.367 797 HD2 LYS 97 2HD LYS 97 9.436 -2.200 -17.107 798 HD3 LYS 97 3HD LYS 97 7.949 -1.668 -16.320 799 HE2 LYS 97 2HE LYS 97 9.298 -0.694 -14.468 800 HE3 LYS 97 3HE LYS 97 10.773 -1.208 -15.290 801 HZ1 LYS 97 1HZ LYS 97 10.280 0.266 -17.100 802 HZ2 LYS 97 2HZ LYS 97 10.209 1.145 -15.654 803 HZ3 LYS 97 3HZ LYS 97 8.785 0.677 -16.428 Start of MODEL 7 1 H1 MET 1 1H MET 1 -2.515 -31.763 -4.679 2 H2 MET 1 2H MET 1 -2.611 -33.430 -4.950 3 H3 MET 1 3H MET 1 -1.270 -32.560 -5.502 4 HA MET 1 HA MET 1 -2.020 -32.963 -2.672 5 HB2 MET 1 2HB MET 1 0.266 -34.149 -4.308 6 HB3 MET 1 3HB MET 1 0.077 -34.341 -2.572 7 HG2 MET 1 2HG MET 1 -2.011 -35.591 -2.947 8 HG3 MET 1 3HG MET 1 -1.805 -35.401 -4.690 9 HE1 MET 1 1HE MET 1 -2.208 -38.268 -3.300 10 HE2 MET 1 2HE MET 1 -0.977 -39.213 -4.138 11 HE3 MET 1 3HE MET 1 -1.962 -38.065 -5.040 12 H GLY 2 H GLY 2 -1.912 -30.588 -2.533 13 HA2 GLY 2 2HA GLY 2 -0.907 -28.711 -1.709 14 HA3 GLY 2 3HA GLY 2 0.312 -29.803 -1.088 15 H HIS 3 H HIS 3 -0.576 -28.469 -4.300 16 HA HIS 3 HA HIS 3 2.237 -28.034 -4.968 17 HB2 HIS 3 2HB HIS 3 -0.362 -27.836 -6.495 18 HB3 HIS 3 3HB HIS 3 1.046 -26.975 -7.104 19 HD1 HIS 3 HD1 HIS 3 2.177 -28.271 -8.851 20 HD2 HIS 3 HD2 HIS 3 0.530 -30.765 -5.960 21 HE1 HIS 3 HE1 HIS 3 2.737 -30.605 -9.576 22 HE2 HIS 3 HE2 HIS 3 1.924 -32.071 -7.706 23 H HIS 4 H HIS 4 2.807 -26.494 -3.364 24 HA HIS 4 HA HIS 4 2.631 -23.809 -4.319 25 HB2 HIS 4 2HB HIS 4 0.427 -24.139 -2.952 26 HB3 HIS 4 3HB HIS 4 1.448 -24.148 -1.519 27 HD1 HIS 4 HD1 HIS 4 -0.390 -21.950 -3.676 28 HD2 HIS 4 HD2 HIS 4 3.045 -21.601 -1.354 29 HE1 HIS 4 HE1 HIS 4 0.009 -19.496 -3.431 30 HE2 HIS 4 HE2 HIS 4 2.146 -19.302 -2.124 31 H HIS 5 H HIS 5 4.855 -23.716 -4.273 32 HA HIS 5 HA HIS 5 6.415 -24.680 -2.044 33 HB2 HIS 5 2HB HIS 5 7.223 -23.144 -4.543 34 HB3 HIS 5 3HB HIS 5 8.370 -23.714 -3.336 35 HD1 HIS 5 HD1 HIS 5 6.562 -24.782 -6.345 36 HD2 HIS 5 HD2 HIS 5 8.495 -26.629 -3.159 37 HE1 HIS 5 HE1 HIS 5 6.953 -27.149 -7.075 38 HE2 HIS 5 HE2 HIS 5 8.173 -28.230 -5.161 39 H HIS 6 H HIS 6 5.903 -23.541 -0.240 40 HA HIS 6 HA HIS 6 6.483 -20.650 -0.094 41 HB2 HIS 6 2HB HIS 6 5.421 -20.763 2.174 42 HB3 HIS 6 3HB HIS 6 4.326 -21.230 0.881 43 HD1 HIS 6 HD1 HIS 6 5.612 -22.338 4.092 44 HD2 HIS 6 HD2 HIS 6 3.917 -24.172 0.766 45 HE1 HIS 6 HE1 HIS 6 4.923 -24.626 4.862 46 HE2 HIS 6 HE2 HIS 6 3.899 -25.716 2.843 47 H HIS 7 H HIS 7 8.498 -20.114 0.525 48 HA HIS 7 HA HIS 7 10.353 -22.238 1.211 49 HB2 HIS 7 2HB HIS 7 10.894 -19.260 0.823 50 HB3 HIS 7 3HB HIS 7 12.121 -20.515 0.971 51 HD1 HIS 7 HD1 HIS 7 12.856 -21.611 -1.175 52 HD2 HIS 7 HD2 HIS 7 9.272 -19.544 -1.628 53 HE1 HIS 7 HE1 HIS 7 12.342 -21.674 -3.634 54 HE2 HIS 7 HE2 HIS 7 10.226 -20.338 -3.895 55 H HIS 8 H HIS 8 10.825 -22.833 3.203 56 HA HIS 8 HA HIS 8 10.318 -21.298 5.610 57 HB2 HIS 8 2HB HIS 8 11.863 -23.903 5.192 58 HB3 HIS 8 3HB HIS 8 11.410 -23.243 6.759 59 HD1 HIS 8 HD1 HIS 8 9.164 -23.938 7.653 60 HD2 HIS 8 HD2 HIS 8 9.547 -24.747 3.589 61 HE1 HIS 8 HE1 HIS 8 7.129 -25.275 7.033 62 HE2 HIS 8 HE2 HIS 8 7.521 -25.958 4.650 63 H GLU 9 H GLU 9 12.706 -21.246 3.287 64 HA GLU 9 HA GLU 9 15.085 -20.779 4.772 65 HB2 GLU 9 2HB GLU 9 14.370 -19.992 1.913 66 HB3 GLU 9 3HB GLU 9 16.000 -20.041 2.585 67 HG2 GLU 9 2HG GLU 9 15.862 -22.460 2.862 68 HG3 GLU 9 3HG GLU 9 14.177 -22.445 2.353 69 H ASN 10 H ASN 10 14.927 -19.167 6.253 70 HA ASN 10 HA ASN 10 13.824 -16.545 5.667 71 HB2 ASN 10 2HB ASN 10 15.194 -17.717 8.118 72 HB3 ASN 10 3HB ASN 10 14.689 -16.038 8.031 73 HD21 ASN 10 1HD2 ASN 10 13.276 -16.268 9.752 74 HD22 ASN 10 2HD2 ASN 10 11.788 -17.140 9.634 75 H LEU 11 H LEU 11 15.144 -15.831 3.955 76 HA LEU 11 HA LEU 11 17.988 -15.524 4.166 77 HB2 LEU 11 2HB LEU 11 15.924 -14.357 2.264 78 HB3 LEU 11 3HB LEU 11 17.607 -13.883 2.194 79 HG LEU 11 HG LEU 11 17.228 -15.515 0.466 80 HD11 LEU 11 1HD1 LEU 11 19.396 -15.666 1.586 81 HD12 LEU 11 2HD1 LEU 11 18.873 -17.243 1.003 82 HD13 LEU 11 3HD1 LEU 11 18.748 -16.855 2.720 83 HD21 LEU 11 1HD2 LEU 11 16.398 -17.796 0.867 84 HD22 LEU 11 2HD2 LEU 11 15.198 -16.591 1.323 85 HD23 LEU 11 3HD2 LEU 11 16.134 -17.413 2.572 86 H TYR 12 H TYR 12 18.543 -14.422 5.990 87 HA TYR 12 HA TYR 12 17.992 -11.515 6.049 88 HB2 TYR 12 2HB TYR 12 18.033 -13.378 8.474 89 HB3 TYR 12 3HB TYR 12 18.033 -11.620 8.578 90 HD1 TYR 12 HD1 TYR 12 16.039 -10.501 7.077 91 HD2 TYR 12 HD2 TYR 12 15.933 -14.403 8.823 92 HE1 TYR 12 HE1 TYR 12 13.588 -10.465 7.005 93 HE2 TYR 12 HE2 TYR 12 13.474 -14.357 8.745 94 HH TYR 12 HH TYR 12 11.657 -12.718 8.650 95 H PHE 13 H PHE 13 20.046 -12.321 4.683 96 HA PHE 13 HA PHE 13 22.468 -12.134 6.399 97 HB2 PHE 13 2HB PHE 13 22.300 -13.391 3.611 98 HB3 PHE 13 3HB PHE 13 23.687 -13.408 4.696 99 HD1 PHE 13 HD1 PHE 13 20.344 -14.854 4.042 100 HD2 PHE 13 HD2 PHE 13 23.776 -14.972 6.595 101 HE1 PHE 13 HE1 PHE 13 19.563 -16.981 5.002 102 HE2 PHE 13 HE2 PHE 13 22.980 -17.098 7.547 103 HZ PHE 13 HZ PHE 13 20.880 -18.100 6.750 104 H GLN 14 H GLN 14 21.682 -11.625 2.951 105 HA GLN 14 HA GLN 14 23.170 -9.110 2.819 106 HB2 GLN 14 2HB GLN 14 21.604 -10.611 0.674 107 HB3 GLN 14 3HB GLN 14 22.677 -9.239 0.396 108 HG2 GLN 14 2HG GLN 14 24.597 -10.571 1.156 109 HG3 GLN 14 3HG GLN 14 23.531 -11.940 1.469 110 HE21 GLN 14 1HE2 GLN 14 25.824 -11.843 -0.317 111 HE22 GLN 14 2HE2 GLN 14 25.231 -12.208 -1.897 112 H SER 15 H SER 15 20.074 -10.005 3.693 113 HA SER 15 HA SER 15 18.440 -8.005 2.536 114 HB2 SER 15 2HB SER 15 18.058 -9.479 5.186 115 HB3 SER 15 3HB SER 15 16.797 -8.692 4.230 116 HG SER 15 HG SER 15 16.690 -10.795 3.650 117 H HIS 16 H HIS 16 18.030 -5.940 3.172 118 HA HIS 16 HA HIS 16 19.176 -4.863 5.679 119 HB2 HIS 16 2HB HIS 16 19.454 -3.555 2.921 120 HB3 HIS 16 3HB HIS 16 19.916 -2.801 4.448 121 HD1 HIS 16 HD1 HIS 16 21.363 -4.611 1.724 122 HD2 HIS 16 HD2 HIS 16 22.000 -4.543 5.832 123 HE1 HIS 16 HE1 HIS 16 23.648 -5.591 2.068 124 HE2 HIS 16 HE2 HIS 16 24.089 -5.328 4.524 125 H MET 17 H MET 17 17.416 -3.579 2.850 126 HA MET 17 HA MET 17 14.834 -3.489 3.967 127 HB2 MET 17 2HB MET 17 14.564 -1.072 4.374 128 HB3 MET 17 3HB MET 17 15.792 -1.731 5.441 129 HG2 MET 17 2HG MET 17 17.546 -0.827 3.887 130 HG3 MET 17 3HG MET 17 16.259 -0.061 2.957 131 HE1 MET 17 1HE MET 17 16.545 -0.478 6.898 132 HE2 MET 17 2HE MET 17 17.317 1.049 7.324 133 HE3 MET 17 3HE MET 17 18.201 -0.151 6.381 134 H THR 18 H THR 18 13.521 -1.655 2.599 135 HA THR 18 HA THR 18 14.531 -1.467 -0.157 136 HB THR 18 HB THR 18 13.353 -3.620 -0.126 137 HG1 THR 18 HG1 THR 18 11.719 -1.689 -1.448 138 HG21 THR 18 1HG2 THR 18 10.899 -2.094 0.802 139 HG22 THR 18 2HG2 THR 18 11.825 -3.243 1.770 140 HG23 THR 18 3HG2 THR 18 10.949 -3.799 0.345 141 H ASP 19 H ASP 19 14.085 0.427 1.981 142 HA ASP 19 HA ASP 19 11.701 1.953 1.534 143 HB2 ASP 19 2HB ASP 19 14.290 2.630 2.993 144 HB3 ASP 19 3HB ASP 19 12.883 3.687 2.964 145 H GLU 20 H GLU 20 11.749 2.162 -0.703 146 HA GLU 20 HA GLU 20 12.805 4.605 -1.745 147 HB2 GLU 20 2HB GLU 20 14.752 2.870 -1.910 148 HB3 GLU 20 3HB GLU 20 13.797 2.067 -3.140 149 HG2 GLU 20 2HG GLU 20 14.641 4.968 -3.349 150 HG3 GLU 20 3HG GLU 20 15.635 3.645 -3.939 151 H LEU 21 H LEU 21 11.798 1.350 -2.900 152 HA LEU 21 HA LEU 21 9.775 2.149 -4.682 153 HB2 LEU 21 2HB LEU 21 10.777 -0.134 -4.533 154 HB3 LEU 21 3HB LEU 21 9.951 -0.413 -3.018 155 HG LEU 21 HG LEU 21 8.259 0.231 -5.441 156 HD11 LEU 21 1HD1 LEU 21 9.442 -2.535 -5.008 157 HD12 LEU 21 2HD1 LEU 21 9.854 -1.427 -6.317 158 HD13 LEU 21 3HD1 LEU 21 8.226 -2.087 -6.211 159 HD21 LEU 21 1HD2 LEU 21 6.662 -1.332 -4.392 160 HD22 LEU 21 2HD2 LEU 21 7.135 -0.053 -3.278 161 HD23 LEU 21 3HD2 LEU 21 7.824 -1.667 -3.101 162 H LEU 22 H LEU 22 9.701 1.282 -1.276 163 HA LEU 22 HA LEU 22 7.000 1.478 -0.671 164 HB2 LEU 22 2HB LEU 22 9.345 2.214 1.120 165 HB3 LEU 22 3HB LEU 22 7.735 1.766 1.654 166 HG LEU 22 HG LEU 22 9.724 -0.075 0.279 167 HD11 LEU 22 1HD1 LEU 22 8.757 -0.034 3.168 168 HD12 LEU 22 2HD1 LEU 22 10.343 0.491 2.601 169 HD13 LEU 22 3HD1 LEU 22 9.879 -1.200 2.459 170 HD21 LEU 22 1HD2 LEU 22 6.928 -0.698 1.303 171 HD22 LEU 22 2HD2 LEU 22 8.104 -1.890 0.746 172 HD23 LEU 22 3HD2 LEU 22 7.462 -0.701 -0.382 173 H GLU 23 H GLU 23 9.495 3.960 -0.790 174 HA GLU 23 HA GLU 23 8.253 6.122 0.431 175 HB2 GLU 23 2HB GLU 23 10.661 6.018 -0.278 176 HB3 GLU 23 3HB GLU 23 10.157 6.209 -1.951 177 HG2 GLU 23 2HG GLU 23 10.943 8.333 -1.159 178 HG3 GLU 23 3HG GLU 23 9.195 8.442 -1.350 179 H ARG 24 H ARG 24 8.079 4.987 -2.918 180 HA ARG 24 HA ARG 24 6.667 7.132 -4.101 181 HB2 ARG 24 2HB ARG 24 6.494 4.208 -4.952 182 HB3 ARG 24 3HB ARG 24 6.263 5.620 -5.971 183 HG2 ARG 24 2HG ARG 24 8.873 4.652 -4.768 184 HG3 ARG 24 3HG ARG 24 8.405 4.593 -6.466 185 HD2 ARG 24 2HD ARG 24 8.423 7.056 -6.562 186 HD3 ARG 24 3HD ARG 24 8.856 7.127 -4.853 187 HE ARG 24 HE ARG 24 10.755 5.581 -6.276 188 HH11 ARG 24 1HH1 ARG 24 9.809 8.947 -5.745 189 HH12 ARG 24 2HH1 ARG 24 11.396 9.555 -6.097 190 HH21 ARG 24 1HH2 ARG 24 12.791 6.406 -6.739 191 HH22 ARG 24 2HH2 ARG 24 13.086 8.116 -6.661 192 H LEU 25 H LEU 25 5.622 4.311 -2.283 193 HA LEU 25 HA LEU 25 2.791 4.633 -2.917 194 HB2 LEU 25 2HB LEU 25 4.288 2.653 -1.150 195 HB3 LEU 25 3HB LEU 25 2.534 2.708 -1.234 196 HG LEU 25 HG LEU 25 2.723 2.251 -3.732 197 HD11 LEU 25 1HD1 LEU 25 4.768 1.254 -4.609 198 HD12 LEU 25 2HD1 LEU 25 5.610 1.612 -3.098 199 HD13 LEU 25 3HD1 LEU 25 5.024 2.927 -4.119 200 HD21 LEU 25 1HD2 LEU 25 3.055 -0.156 -3.464 201 HD22 LEU 25 2HD2 LEU 25 2.093 0.504 -2.145 202 HD23 LEU 25 3HD2 LEU 25 3.792 0.107 -1.880 203 H ARG 26 H ARG 26 5.039 5.396 -0.337 204 HA ARG 26 HA ARG 26 3.140 5.893 1.724 205 HB2 ARG 26 2HB ARG 26 5.531 5.423 2.202 206 HB3 ARG 26 3HB ARG 26 5.996 6.950 1.451 207 HG2 ARG 26 2HG ARG 26 4.930 8.228 3.191 208 HG3 ARG 26 3HG ARG 26 4.129 6.795 3.843 209 HD2 ARG 26 2HD ARG 26 5.980 7.430 5.274 210 HD3 ARG 26 3HD ARG 26 6.340 5.883 4.505 211 HE ARG 26 HE ARG 26 7.484 7.894 2.920 212 HH11 ARG 26 1HH1 ARG 26 7.903 6.564 6.158 213 HH12 ARG 26 2HH1 ARG 26 9.586 6.971 6.232 214 HH21 ARG 26 1HH2 ARG 26 9.699 8.442 3.060 215 HH22 ARG 26 2HH2 ARG 26 10.597 8.030 4.488 216 H GLN 27 H GLN 27 4.701 7.898 -0.714 217 HA GLN 27 HA GLN 27 3.682 10.427 0.038 218 HB2 GLN 27 2HB GLN 27 4.416 9.392 -2.737 219 HB3 GLN 27 3HB GLN 27 4.156 11.082 -2.327 220 HG2 GLN 27 2HG GLN 27 6.360 9.318 -1.232 221 HG3 GLN 27 3HG GLN 27 6.543 10.545 -2.481 222 HE21 GLN 27 1HE2 GLN 27 7.834 10.290 0.147 223 HE22 GLN 27 2HE2 GLN 27 7.490 11.755 0.994 224 H LEU 28 H LEU 28 2.421 7.860 -2.053 225 HA LEU 28 HA LEU 28 0.048 9.110 -2.932 226 HB2 LEU 28 2HB LEU 28 0.994 7.096 -4.008 227 HB3 LEU 28 3HB LEU 28 0.676 6.157 -2.558 228 HG LEU 28 HG LEU 28 -1.779 6.501 -2.900 229 HD11 LEU 28 1HD1 LEU 28 -2.630 7.350 -5.049 230 HD12 LEU 28 2HD1 LEU 28 -0.992 7.813 -5.522 231 HD13 LEU 28 3HD1 LEU 28 -1.771 8.595 -4.145 232 HD21 LEU 28 1HD2 LEU 28 -0.346 5.219 -5.246 233 HD22 LEU 28 2HD2 LEU 28 -2.016 4.920 -4.760 234 HD23 LEU 28 3HD2 LEU 28 -0.699 4.456 -3.691 235 H PHE 29 H PHE 29 0.753 7.069 -0.114 236 HA PHE 29 HA PHE 29 -1.889 6.850 0.890 237 HB2 PHE 29 2HB PHE 29 0.757 6.665 2.381 238 HB3 PHE 29 3HB PHE 29 -0.797 6.192 3.048 239 HD1 PHE 29 HD1 PHE 29 -1.674 4.848 0.249 240 HD2 PHE 29 HD2 PHE 29 1.706 4.471 2.845 241 HE1 PHE 29 HE1 PHE 29 -1.304 2.543 -0.537 242 HE2 PHE 29 HE2 PHE 29 2.057 2.171 2.046 243 HZ PHE 29 HZ PHE 29 0.548 1.206 0.376 244 H GLU 30 H GLU 30 0.671 9.230 1.340 245 HA GLU 30 HA GLU 30 -0.582 10.840 3.317 246 HB2 GLU 30 2HB GLU 30 1.664 11.251 1.339 247 HB3 GLU 30 3HB GLU 30 1.013 12.653 2.171 248 HG2 GLU 30 2HG GLU 30 2.033 10.213 3.640 249 HG3 GLU 30 3HG GLU 30 3.062 11.576 3.206 250 H GLU 31 H GLU 31 -0.704 10.866 -0.223 251 HA GLU 31 HA GLU 31 -2.272 13.180 -0.646 252 HB2 GLU 31 2HB GLU 31 -2.077 10.593 -2.244 253 HB3 GLU 31 3HB GLU 31 -2.926 12.020 -2.820 254 HG2 GLU 31 2HG GLU 31 -0.851 13.290 -2.890 255 HG3 GLU 31 3HG GLU 31 0.031 11.951 -2.156 256 H LEU 32 H LEU 32 -3.152 9.848 0.102 257 HA LEU 32 HA LEU 32 -6.020 10.311 -0.038 258 HB2 LEU 32 2HB LEU 32 -4.470 7.926 1.068 259 HB3 LEU 32 3HB LEU 32 -6.173 7.949 0.631 260 HG LEU 32 HG LEU 32 -3.881 8.329 -1.341 261 HD11 LEU 32 1HD1 LEU 32 -5.572 5.853 -0.916 262 HD12 LEU 32 2HD1 LEU 32 -3.862 6.039 -0.523 263 HD13 LEU 32 3HD1 LEU 32 -4.387 6.087 -2.205 264 HD21 LEU 32 1HD2 LEU 32 -5.885 9.492 -2.087 265 HD22 LEU 32 2HD2 LEU 32 -6.847 8.027 -1.885 266 HD23 LEU 32 3HD2 LEU 32 -5.576 8.091 -3.108 267 H HIS 33 H HIS 33 -3.535 10.376 2.407 268 HA HIS 33 HA HIS 33 -5.034 10.190 4.790 269 HB2 HIS 33 2HB HIS 33 -2.620 9.908 4.830 270 HB3 HIS 33 3HB HIS 33 -2.358 11.514 4.174 271 HD1 HIS 33 HD1 HIS 33 -1.125 12.675 5.991 272 HD2 HIS 33 HD2 HIS 33 -4.408 10.575 7.455 273 HE1 HIS 33 HE1 HIS 33 -1.328 13.321 8.408 274 HE2 HIS 33 HE2 HIS 33 -3.399 12.170 9.225 275 H GLU 34 H GLU 34 -4.350 12.946 2.663 276 HA GLU 34 HA GLU 34 -5.072 15.058 4.395 277 HB2 GLU 34 2HB GLU 34 -5.121 16.495 2.486 278 HB3 GLU 34 3HB GLU 34 -3.888 15.294 2.130 279 HG2 GLU 34 2HG GLU 34 -5.500 14.087 0.698 280 HG3 GLU 34 3HG GLU 34 -6.730 15.288 1.056 281 H ARG 35 H ARG 35 -7.047 12.788 2.656 282 HA ARG 35 HA ARG 35 -9.459 14.498 2.948 283 HB2 ARG 35 2HB ARG 35 -10.381 13.094 1.050 284 HB3 ARG 35 3HB ARG 35 -9.037 14.146 0.634 285 HG2 ARG 35 2HG ARG 35 -7.553 12.031 1.012 286 HG3 ARG 35 3HG ARG 35 -9.072 11.145 0.873 287 HD2 ARG 35 2HD ARG 35 -7.893 11.240 -1.269 288 HD3 ARG 35 3HD ARG 35 -9.430 12.098 -1.364 289 HE ARG 35 HE ARG 35 -6.806 13.454 -1.046 290 HH11 ARG 35 1HH1 ARG 35 -9.981 13.315 -2.590 291 HH12 ARG 35 2HH1 ARG 35 -9.729 14.781 -3.482 292 HH21 ARG 35 1HH2 ARG 35 -6.516 15.390 -2.182 293 HH22 ARG 35 2HH2 ARG 35 -7.760 15.961 -3.253 294 H GLY 36 H GLY 36 -7.933 11.608 3.960 295 HA2 GLY 36 2HA GLY 36 -8.444 10.248 5.720 296 HA3 GLY 36 3HA GLY 36 -9.840 11.261 6.052 297 H THR 37 H THR 37 -8.984 9.374 3.181 298 HA THR 37 HA THR 37 -11.545 7.918 3.361 299 HB THR 37 HB THR 37 -11.059 9.214 1.253 300 HG1 THR 37 HG1 THR 37 -12.487 7.515 1.102 301 HG21 THR 37 1HG2 THR 37 -9.468 8.313 -0.404 302 HG22 THR 37 2HG2 THR 37 -8.903 7.119 0.770 303 HG23 THR 37 3HG2 THR 37 -8.622 8.842 1.050 304 H GLU 38 H GLU 38 -11.342 5.572 2.457 305 HA GLU 38 HA GLU 38 -9.364 4.189 4.061 306 HB2 GLU 38 2HB GLU 38 -10.497 2.109 3.308 307 HB3 GLU 38 3HB GLU 38 -11.600 3.269 4.034 308 HG2 GLU 38 2HG GLU 38 -12.541 3.841 1.913 309 HG3 GLU 38 3HG GLU 38 -11.285 2.950 1.047 310 H ILE 39 H ILE 39 -7.680 2.962 3.377 311 HA ILE 39 HA ILE 39 -6.924 3.008 0.514 312 HB ILE 39 HB ILE 39 -5.020 2.835 2.903 313 HG12 ILE 39 2HG1 ILE 39 -5.669 5.271 1.171 314 HG13 ILE 39 3HG1 ILE 39 -6.063 5.077 2.873 315 HG21 ILE 39 1HG2 ILE 39 -4.460 3.258 -0.060 316 HG22 ILE 39 2HG2 ILE 39 -4.190 1.764 0.839 317 HG23 ILE 39 3HG2 ILE 39 -3.251 3.202 1.226 318 HD11 ILE 39 1HD1 ILE 39 -4.170 6.530 2.608 319 HD12 ILE 39 2HD1 ILE 39 -3.299 5.300 1.695 320 HD13 ILE 39 3HD1 ILE 39 -3.661 5.041 3.405 321 H VAL 40 H VAL 40 -7.287 1.051 -0.286 322 HA VAL 40 HA VAL 40 -7.031 -1.390 1.347 323 HB VAL 40 HB VAL 40 -8.324 -0.940 -1.384 324 HG11 VAL 40 1HG1 VAL 40 -9.302 -3.177 -1.114 325 HG12 VAL 40 2HG1 VAL 40 -8.411 -3.390 0.394 326 HG13 VAL 40 3HG1 VAL 40 -7.540 -3.243 -1.134 327 HG21 VAL 40 1HG2 VAL 40 -10.490 -1.143 -0.208 328 HG22 VAL 40 2HG2 VAL 40 -9.560 0.240 0.367 329 HG23 VAL 40 3HG2 VAL 40 -9.638 -1.231 1.337 330 H VAL 41 H VAL 41 -4.903 -1.955 1.277 331 HA VAL 41 HA VAL 41 -3.337 -1.766 -1.205 332 HB VAL 41 HB VAL 41 -2.489 -2.405 1.670 333 HG11 VAL 41 1HG1 VAL 41 -0.739 -2.018 -0.791 334 HG12 VAL 41 2HG1 VAL 41 -0.977 -3.526 0.095 335 HG13 VAL 41 3HG1 VAL 41 -0.159 -2.172 0.871 336 HG21 VAL 41 1HG2 VAL 41 -2.108 0.107 -0.005 337 HG22 VAL 41 2HG2 VAL 41 -1.455 -0.156 1.614 338 HG23 VAL 41 3HG2 VAL 41 -3.199 -0.077 1.370 339 H GLU 42 H GLU 42 -3.420 -3.466 -2.487 340 HA GLU 42 HA GLU 42 -3.971 -6.173 -1.435 341 HB2 GLU 42 2HB GLU 42 -5.713 -5.190 -2.907 342 HB3 GLU 42 3HB GLU 42 -4.522 -4.961 -4.181 343 HG2 GLU 42 2HG GLU 42 -4.225 -7.417 -4.328 344 HG3 GLU 42 3HG GLU 42 -5.446 -7.639 -3.075 345 H VAL 43 H VAL 43 -2.074 -7.182 -1.259 346 HA VAL 43 HA VAL 43 0.197 -6.700 -3.015 347 HB VAL 43 HB VAL 43 -0.095 -8.494 -0.547 348 HG11 VAL 43 1HG1 VAL 43 2.429 -7.595 -1.984 349 HG12 VAL 43 2HG1 VAL 43 1.765 -9.232 -1.952 350 HG13 VAL 43 3HG1 VAL 43 2.371 -8.500 -0.468 351 HG21 VAL 43 1HG2 VAL 43 -0.465 -6.129 0.026 352 HG22 VAL 43 2HG2 VAL 43 1.061 -5.682 -0.738 353 HG23 VAL 43 3HG2 VAL 43 1.061 -6.700 0.704 354 H HIS 44 H HIS 44 -0.106 -7.706 -4.951 355 HA HIS 44 HA HIS 44 -0.889 -10.530 -5.149 356 HB2 HIS 44 2HB HIS 44 -0.118 -8.487 -7.288 357 HB3 HIS 44 3HB HIS 44 -0.535 -10.158 -7.638 358 HD1 HIS 44 HD1 HIS 44 -2.065 -7.671 -8.761 359 HD2 HIS 44 HD2 HIS 44 -3.261 -9.972 -5.507 360 HE1 HIS 44 HE1 HIS 44 -4.560 -7.415 -8.635 361 HE2 HIS 44 HE2 HIS 44 -5.249 -8.746 -6.620 362 H ILE 45 H ILE 45 0.713 -11.973 -4.669 363 HA ILE 45 HA ILE 45 3.354 -11.621 -5.973 364 HB ILE 45 HB ILE 45 2.922 -12.599 -3.101 365 HG12 ILE 45 2HG1 ILE 45 4.372 -10.174 -4.259 366 HG13 ILE 45 3HG1 ILE 45 2.976 -10.177 -3.192 367 HG21 ILE 45 1HG2 ILE 45 5.501 -12.641 -4.719 368 HG22 ILE 45 2HG2 ILE 45 4.579 -14.051 -4.194 369 HG23 ILE 45 3HG2 ILE 45 5.366 -13.021 -2.999 370 HD11 ILE 45 1HD1 ILE 45 5.772 -11.010 -2.453 371 HD12 ILE 45 2HD1 ILE 45 4.370 -11.034 -1.379 372 HD13 ILE 45 3HD1 ILE 45 4.964 -9.503 -2.024 373 H ASN 46 H ASN 46 3.263 -13.098 -7.527 374 HA ASN 46 HA ASN 46 3.442 -15.110 -8.568 375 HB2 ASN 46 2HB ASN 46 3.793 -16.132 -5.713 376 HB3 ASN 46 3HB ASN 46 4.034 -17.129 -7.141 377 HD21 ASN 46 1HD2 ASN 46 5.047 -13.730 -6.799 378 HD22 ASN 46 2HD2 ASN 46 6.729 -14.058 -6.877 379 H GLY 47 H GLY 47 0.784 -14.107 -7.756 380 HA2 GLY 47 2HA GLY 47 -1.232 -15.020 -8.682 381 HA3 GLY 47 3HA GLY 47 -0.761 -16.614 -8.108 382 H GLU 48 H GLU 48 0.096 -15.084 -5.530 383 HA GLU 48 HA GLU 48 -2.390 -15.533 -4.113 384 HB2 GLU 48 2HB GLU 48 0.319 -14.567 -3.086 385 HB3 GLU 48 3HB GLU 48 -1.030 -15.112 -2.087 386 HG2 GLU 48 2HG GLU 48 -0.860 -17.372 -3.094 387 HG3 GLU 48 3HG GLU 48 0.492 -16.821 -4.080 388 H ARG 49 H ARG 49 -3.552 -13.987 -2.980 389 HA ARG 49 HA ARG 49 -3.051 -11.128 -3.566 390 HB2 ARG 49 2HB ARG 49 -5.578 -10.877 -3.653 391 HB3 ARG 49 3HB ARG 49 -4.893 -11.808 -4.979 392 HG2 ARG 49 2HG ARG 49 -5.539 -13.912 -3.782 393 HG3 ARG 49 3HG ARG 49 -6.330 -12.926 -2.553 394 HD2 ARG 49 2HD ARG 49 -8.007 -13.734 -4.092 395 HD3 ARG 49 3HD ARG 49 -7.824 -11.997 -4.335 396 HE ARG 49 HE ARG 49 -6.133 -13.198 -6.168 397 HH11 ARG 49 1HH1 ARG 49 -9.618 -13.225 -5.577 398 HH12 ARG 49 2HH1 ARG 49 -10.009 -13.515 -7.240 399 HH21 ARG 49 1HH2 ARG 49 -6.681 -13.600 -8.328 400 HH22 ARG 49 2HH2 ARG 49 -8.347 -13.725 -8.797 401 H ASP 50 H ASP 50 -2.925 -9.897 -1.789 402 HA ASP 50 HA ASP 50 -4.141 -10.806 0.777 403 HB2 ASP 50 2HB ASP 50 -1.631 -11.074 0.747 404 HB3 ASP 50 3HB ASP 50 -1.486 -9.355 0.419 405 H GLU 51 H GLU 51 -5.728 -9.380 1.264 406 HA GLU 51 HA GLU 51 -5.596 -6.596 0.256 407 HB2 GLU 51 2HB GLU 51 -7.572 -7.826 -0.511 408 HB3 GLU 51 3HB GLU 51 -7.990 -8.288 1.140 409 HG2 GLU 51 2HG GLU 51 -8.361 -5.923 1.717 410 HG3 GLU 51 3HG GLU 51 -7.932 -5.443 0.080 411 H ILE 52 H ILE 52 -5.023 -5.115 1.720 412 HA ILE 52 HA ILE 52 -5.832 -5.412 4.563 413 HB ILE 52 HB ILE 52 -3.506 -3.699 3.528 414 HG12 ILE 52 2HG1 ILE 52 -3.265 -6.481 4.775 415 HG13 ILE 52 3HG1 ILE 52 -3.110 -6.154 3.056 416 HG21 ILE 52 1HG2 ILE 52 -4.413 -3.005 5.717 417 HG22 ILE 52 2HG2 ILE 52 -2.791 -3.668 5.905 418 HG23 ILE 52 3HG2 ILE 52 -4.195 -4.639 6.352 419 HD11 ILE 52 1HD1 ILE 52 -1.152 -4.768 3.493 420 HD12 ILE 52 2HD1 ILE 52 -0.959 -6.417 4.089 421 HD13 ILE 52 3HD1 ILE 52 -1.305 -5.109 5.219 422 H ARG 53 H ARG 53 -7.706 -4.234 4.646 423 HA ARG 53 HA ARG 53 -7.946 -1.615 3.334 424 HB2 ARG 53 2HB ARG 53 -10.022 -3.133 4.986 425 HB3 ARG 53 3HB ARG 53 -10.306 -1.687 4.023 426 HG2 ARG 53 2HG ARG 53 -9.777 -2.996 1.968 427 HG3 ARG 53 3HG ARG 53 -9.588 -4.434 2.973 428 HD2 ARG 53 2HD ARG 53 -11.800 -4.455 1.986 429 HD3 ARG 53 3HD ARG 53 -11.958 -4.178 3.724 430 HE ARG 53 HE ARG 53 -11.888 -1.674 2.423 431 HH11 ARG 53 1HH1 ARG 53 -14.054 -4.456 2.636 432 HH12 ARG 53 2HH1 ARG 53 -15.474 -3.507 2.344 433 HH21 ARG 53 1HH2 ARG 53 -13.792 -0.453 2.046 434 HH22 ARG 53 2HH2 ARG 53 -15.330 -1.257 2.012 435 H VAL 54 H VAL 54 -7.093 0.019 4.480 436 HA VAL 54 HA VAL 54 -7.630 0.186 7.394 437 HB VAL 54 HB VAL 54 -5.787 1.953 7.372 438 HG11 VAL 54 1HG1 VAL 54 -3.948 0.328 7.474 439 HG12 VAL 54 2HG1 VAL 54 -4.952 -0.876 6.661 440 HG13 VAL 54 3HG1 VAL 54 -5.395 -0.293 8.266 441 HG21 VAL 54 1HG2 VAL 54 -5.100 0.785 4.649 442 HG22 VAL 54 2HG2 VAL 54 -4.151 1.971 5.546 443 HG23 VAL 54 3HG2 VAL 54 -5.740 2.404 4.931 444 H ARG 55 H ARG 55 -9.454 1.272 7.664 445 HA ARG 55 HA ARG 55 -10.332 3.252 5.674 446 HB2 ARG 55 2HB ARG 55 -11.937 1.961 7.923 447 HB3 ARG 55 3HB ARG 55 -12.578 2.937 6.604 448 HG2 ARG 55 2HG ARG 55 -11.844 1.191 4.980 449 HG3 ARG 55 3HG ARG 55 -11.268 0.205 6.326 450 HD2 ARG 55 2HD ARG 55 -13.416 -0.640 5.674 451 HD3 ARG 55 3HD ARG 55 -13.635 0.193 7.218 452 HE ARG 55 HE ARG 55 -14.236 1.548 4.658 453 HH11 ARG 55 1HH1 ARG 55 -15.349 0.433 7.804 454 HH12 ARG 55 2HH1 ARG 55 -16.881 1.232 7.678 455 HH21 ARG 55 1HH2 ARG 55 -16.289 2.528 4.473 456 HH22 ARG 55 2HH2 ARG 55 -17.419 2.420 5.787 457 H ASN 56 H ASN 56 -9.608 5.226 6.110 458 HA ASN 56 HA ASN 56 -9.266 7.239 7.074 459 HB2 ASN 56 2HB ASN 56 -11.232 6.215 9.167 460 HB3 ASN 56 3HB ASN 56 -10.529 7.824 9.217 461 HD21 ASN 56 1HD2 ASN 56 -11.544 6.117 6.284 462 HD22 ASN 56 2HD2 ASN 56 -12.775 7.237 5.869 463 H ILE 57 H ILE 57 -7.111 6.934 7.334 464 HA ILE 57 HA ILE 57 -6.134 6.129 9.993 465 HB ILE 57 HB ILE 57 -4.060 5.179 8.686 466 HG12 ILE 57 2HG1 ILE 57 -4.756 4.034 6.511 467 HG13 ILE 57 3HG1 ILE 57 -6.197 5.036 6.497 468 HG21 ILE 57 1HG2 ILE 57 -6.682 3.658 8.754 469 HG22 ILE 57 2HG2 ILE 57 -5.552 3.845 10.096 470 HG23 ILE 57 3HG2 ILE 57 -5.069 2.947 8.659 471 HD11 ILE 57 1HD1 ILE 57 -4.816 7.020 6.234 472 HD12 ILE 57 2HD1 ILE 57 -4.451 5.820 4.995 473 HD13 ILE 57 3HD1 ILE 57 -3.365 6.027 6.360 474 H SER 58 H SER 58 -3.973 6.905 10.516 475 HA SER 58 HA SER 58 -3.795 9.745 9.735 476 HB2 SER 58 2HB SER 58 -2.854 8.304 12.248 477 HB3 SER 58 3HB SER 58 -2.771 10.039 11.975 478 HG SER 58 HG SER 58 -5.288 9.056 11.551 479 H LYS 59 H LYS 59 -1.357 10.492 10.544 480 HA LYS 59 HA LYS 59 0.148 10.128 8.222 481 HB2 LYS 59 2HB LYS 59 1.883 11.506 9.379 482 HB3 LYS 59 3HB LYS 59 0.261 12.161 9.568 483 HG2 LYS 59 2HG LYS 59 0.145 11.141 11.845 484 HG3 LYS 59 3HG LYS 59 1.812 10.598 11.649 485 HD2 LYS 59 2HD LYS 59 2.518 12.992 11.386 486 HD3 LYS 59 3HD LYS 59 0.853 13.485 11.706 487 HE2 LYS 59 2HE LYS 59 2.689 12.006 13.619 488 HE3 LYS 59 3HE LYS 59 2.214 13.699 13.722 489 HZ1 LYS 59 1HZ LYS 59 -0.076 12.984 14.067 490 HZ2 LYS 59 2HZ LYS 59 0.949 12.361 15.251 491 HZ3 LYS 59 3HZ LYS 59 0.405 11.363 14.001 492 H GLU 60 H GLU 60 0.646 8.665 11.418 493 HA GLU 60 HA GLU 60 3.055 7.248 10.570 494 HB2 GLU 60 2HB GLU 60 3.306 6.548 12.877 495 HB3 GLU 60 3HB GLU 60 2.987 8.264 12.823 496 HG2 GLU 60 2HG GLU 60 0.902 6.185 13.488 497 HG3 GLU 60 3HG GLU 60 1.848 7.047 14.686 498 H GLU 61 H GLU 61 -0.314 6.624 11.193 499 HA GLU 61 HA GLU 61 -0.209 3.812 11.418 500 HB2 GLU 61 2HB GLU 61 -2.116 5.305 12.128 501 HB3 GLU 61 3HB GLU 61 -2.558 5.473 10.433 502 HG2 GLU 61 2HG GLU 61 -3.978 3.823 11.485 503 HG3 GLU 61 3HG GLU 61 -2.942 3.029 10.301 504 H LEU 62 H LEU 62 -0.541 5.934 8.587 505 HA LEU 62 HA LEU 62 -1.124 3.908 6.681 506 HB2 LEU 62 2HB LEU 62 -0.696 5.558 4.955 507 HB3 LEU 62 3HB LEU 62 -1.643 6.252 6.245 508 HG LEU 62 HG LEU 62 0.654 7.255 7.073 509 HD11 LEU 62 1HD1 LEU 62 2.228 7.820 5.241 510 HD12 LEU 62 2HD1 LEU 62 1.350 6.738 4.162 511 HD13 LEU 62 3HD1 LEU 62 2.179 6.091 5.576 512 HD21 LEU 62 1HD2 LEU 62 0.288 9.271 5.730 513 HD22 LEU 62 2HD2 LEU 62 -1.240 8.600 6.289 514 HD23 LEU 62 3HD2 LEU 62 -0.737 8.364 4.614 515 H LYS 63 H LYS 63 1.815 4.918 8.171 516 HA LYS 63 HA LYS 63 3.721 4.067 6.280 517 HB2 LYS 63 2HB LYS 63 3.991 4.221 9.302 518 HB3 LYS 63 3HB LYS 63 5.334 4.050 8.177 519 HG2 LYS 63 2HG LYS 63 4.755 6.244 7.171 520 HG3 LYS 63 3HG LYS 63 3.449 6.425 8.348 521 HD2 LYS 63 2HD LYS 63 5.152 6.291 10.186 522 HD3 LYS 63 3HD LYS 63 6.424 6.233 8.964 523 HE2 LYS 63 2HE LYS 63 5.723 8.476 8.156 524 HE3 LYS 63 3HE LYS 63 4.481 8.526 9.411 525 HZ1 LYS 63 1HZ LYS 63 6.289 8.311 11.075 526 HZ2 LYS 63 2HZ LYS 63 6.389 9.726 10.157 527 HZ3 LYS 63 3HZ LYS 63 7.422 8.433 9.824 528 H LYS 64 H LYS 64 1.753 2.321 8.551 529 HA LYS 64 HA LYS 64 3.275 -0.066 8.690 530 HB2 LYS 64 2HB LYS 64 0.306 0.380 9.147 531 HB3 LYS 64 3HB LYS 64 1.186 -1.075 9.600 532 HG2 LYS 64 2HG LYS 64 1.702 1.696 10.717 533 HG3 LYS 64 3HG LYS 64 0.738 0.450 11.499 534 HD2 LYS 64 2HD LYS 64 2.767 0.220 12.612 535 HD3 LYS 64 3HD LYS 64 2.945 -0.987 11.345 536 HE2 LYS 64 2HE LYS 64 4.332 0.576 10.044 537 HE3 LYS 64 3HE LYS 64 4.109 1.821 11.275 538 HZ1 LYS 64 1HZ LYS 64 5.417 -0.807 11.745 539 HZ2 LYS 64 2HZ LYS 64 5.292 0.466 12.848 540 HZ3 LYS 64 3HZ LYS 64 6.244 0.641 11.462 541 H LEU 65 H LEU 65 1.208 1.207 6.207 542 HA LEU 65 HA LEU 65 0.367 -1.291 5.057 543 HB2 LEU 65 2HB LEU 65 0.326 1.580 4.053 544 HB3 LEU 65 3HB LEU 65 -0.155 0.257 3.014 545 HG LEU 65 HG LEU 65 -2.147 1.243 3.960 546 HD11 LEU 65 1HD1 LEU 65 -2.203 -1.194 3.671 547 HD12 LEU 65 2HD1 LEU 65 -3.214 -0.684 5.018 548 HD13 LEU 65 3HD1 LEU 65 -1.641 -1.416 5.331 549 HD21 LEU 65 1HD2 LEU 65 -1.171 2.319 5.913 550 HD22 LEU 65 2HD2 LEU 65 -0.964 0.765 6.714 551 HD23 LEU 65 3HD2 LEU 65 -2.580 1.377 6.374 552 H LEU 66 H LEU 66 2.802 1.120 3.977 553 HA LEU 66 HA LEU 66 3.997 -0.550 2.023 554 HB2 LEU 66 2HB LEU 66 6.002 0.980 2.195 555 HB3 LEU 66 3HB LEU 66 4.490 1.758 1.791 556 HG LEU 66 HG LEU 66 5.248 1.789 4.705 557 HD11 LEU 66 1HD1 LEU 66 6.703 3.588 2.729 558 HD12 LEU 66 2HD1 LEU 66 7.430 2.301 3.689 559 HD13 LEU 66 3HD1 LEU 66 6.757 3.715 4.492 560 HD21 LEU 66 1HD2 LEU 66 3.188 2.861 4.024 561 HD22 LEU 66 2HD2 LEU 66 4.042 3.859 2.845 562 HD23 LEU 66 3HD2 LEU 66 4.330 4.088 4.570 563 H GLU 67 H GLU 67 4.509 -0.246 5.508 564 HA GLU 67 HA GLU 67 6.780 -1.944 5.725 565 HB2 GLU 67 2HB GLU 67 6.617 -1.074 7.813 566 HB3 GLU 67 3HB GLU 67 4.977 -0.538 7.514 567 HG2 GLU 67 2HG GLU 67 4.979 -1.823 9.512 568 HG3 GLU 67 3HG GLU 67 4.159 -2.768 8.276 569 H ARG 68 H ARG 68 3.312 -2.692 5.544 570 HA ARG 68 HA ARG 68 3.575 -5.481 6.145 571 HB2 ARG 68 2HB ARG 68 1.338 -3.857 4.895 572 HB3 ARG 68 3HB ARG 68 1.203 -5.589 5.140 573 HG2 ARG 68 2HG ARG 68 1.660 -3.605 7.383 574 HG3 ARG 68 3HG ARG 68 0.074 -4.161 6.865 575 HD2 ARG 68 2HD ARG 68 0.686 -5.418 8.793 576 HD3 ARG 68 3HD ARG 68 0.794 -6.501 7.406 577 HE ARG 68 HE ARG 68 3.250 -5.185 8.366 578 HH11 ARG 68 1HH1 ARG 68 1.368 -8.175 8.134 579 HH12 ARG 68 2HH1 ARG 68 2.730 -9.172 8.567 580 HH21 ARG 68 1HH2 ARG 68 4.983 -6.539 8.946 581 HH22 ARG 68 2HH2 ARG 68 4.738 -8.258 9.014 582 H ILE 69 H ILE 69 4.004 -3.608 3.262 583 HA ILE 69 HA ILE 69 3.746 -5.791 1.359 584 HB ILE 69 HB ILE 69 4.927 -2.987 1.022 585 HG12 ILE 69 2HG1 ILE 69 2.142 -3.919 0.185 586 HG13 ILE 69 3HG1 ILE 69 2.467 -3.092 1.702 587 HG21 ILE 69 1HG2 ILE 69 5.742 -4.501 -0.730 588 HG22 ILE 69 2HG2 ILE 69 4.615 -3.331 -1.410 589 HG23 ILE 69 3HG2 ILE 69 4.086 -4.987 -1.114 590 HD11 ILE 69 1HD1 ILE 69 3.314 -1.156 0.438 591 HD12 ILE 69 2HD1 ILE 69 1.628 -1.537 0.097 592 HD13 ILE 69 3HD1 ILE 69 2.878 -1.980 -1.063 593 H ARG 70 H ARG 70 6.356 -3.884 2.843 594 HA ARG 70 HA ARG 70 8.485 -4.892 1.296 595 HB2 ARG 70 2HB ARG 70 9.974 -3.771 2.837 596 HB3 ARG 70 3HB ARG 70 8.576 -2.760 2.541 597 HG2 ARG 70 2HG ARG 70 8.754 -2.449 4.802 598 HG3 ARG 70 3HG ARG 70 7.723 -3.874 4.809 599 HD2 ARG 70 2HD ARG 70 9.726 -5.299 5.165 600 HD3 ARG 70 3HD ARG 70 10.733 -3.849 5.192 601 HE ARG 70 HE ARG 70 8.716 -3.579 7.139 602 HH11 ARG 70 1HH1 ARG 70 11.556 -5.580 6.539 603 HH12 ARG 70 2HH1 ARG 70 11.874 -5.827 8.228 604 HH21 ARG 70 1HH2 ARG 70 9.188 -3.876 9.339 605 HH22 ARG 70 2HH2 ARG 70 10.537 -4.865 9.809 606 H GLU 71 H GLU 71 7.001 -6.077 4.265 607 HA GLU 71 HA GLU 71 9.115 -7.848 4.994 608 HB2 GLU 71 2HB GLU 71 7.657 -8.645 6.710 609 HB3 GLU 71 3HB GLU 71 7.387 -6.921 6.568 610 HG2 GLU 71 2HG GLU 71 5.186 -7.428 6.588 611 HG3 GLU 71 3HG GLU 71 5.405 -7.919 4.914 612 H LYS 72 H LYS 72 6.315 -7.979 2.899 613 HA LYS 72 HA LYS 72 6.135 -10.800 2.520 614 HB2 LYS 72 2HB LYS 72 5.335 -8.648 0.502 615 HB3 LYS 72 3HB LYS 72 4.784 -10.316 0.531 616 HG2 LYS 72 2HG LYS 72 4.123 -8.166 2.542 617 HG3 LYS 72 3HG LYS 72 3.042 -8.837 1.319 618 HD2 LYS 72 2HD LYS 72 3.202 -11.062 2.450 619 HD3 LYS 72 3HD LYS 72 4.232 -10.321 3.686 620 HE2 LYS 72 2HE LYS 72 1.884 -10.544 4.444 621 HE3 LYS 72 3HE LYS 72 2.397 -8.855 4.375 622 HZ1 LYS 72 1HZ LYS 72 1.273 -8.625 2.262 623 HZ2 LYS 72 2HZ LYS 72 0.179 -9.180 3.425 624 HZ3 LYS 72 3HZ LYS 72 0.818 -10.250 2.277 625 H ILE 73 H ILE 73 7.593 -8.164 0.552 626 HA ILE 73 HA ILE 73 8.577 -9.916 -1.464 627 HB ILE 73 HB ILE 73 9.769 -7.994 -2.429 628 HG12 ILE 73 2HG1 ILE 73 9.286 -5.667 -1.164 629 HG13 ILE 73 3HG1 ILE 73 9.292 -6.684 0.265 630 HG21 ILE 73 1HG2 ILE 73 6.997 -7.266 -1.411 631 HG22 ILE 73 2HG2 ILE 73 7.363 -8.256 -2.823 632 HG23 ILE 73 3HG2 ILE 73 7.802 -6.550 -2.811 633 HD11 ILE 73 1HD1 ILE 73 11.434 -5.586 -0.110 634 HD12 ILE 73 2HD1 ILE 73 11.584 -6.365 -1.682 635 HD13 ILE 73 3HD1 ILE 73 11.607 -7.337 -0.207 636 H GLU 74 H GLU 74 10.003 -8.877 1.562 637 HA GLU 74 HA GLU 74 12.662 -9.877 1.008 638 HB2 GLU 74 2HB GLU 74 11.347 -9.128 3.650 639 HB3 GLU 74 3HB GLU 74 13.057 -9.498 3.448 640 HG2 GLU 74 2HG GLU 74 13.333 -7.561 1.976 641 HG3 GLU 74 3HG GLU 74 11.615 -7.197 2.095 642 H ARG 75 H ARG 75 9.776 -11.201 2.646 643 HA ARG 75 HA ARG 75 11.068 -13.605 3.606 644 HB2 ARG 75 2HB ARG 75 8.180 -12.706 3.417 645 HB3 ARG 75 3HB ARG 75 8.580 -14.347 3.907 646 HG2 ARG 75 2HG ARG 75 9.787 -13.529 5.863 647 HG3 ARG 75 3HG ARG 75 9.537 -11.854 5.353 648 HD2 ARG 75 2HD ARG 75 7.957 -12.701 7.159 649 HD3 ARG 75 3HD ARG 75 7.180 -11.981 5.749 650 HE ARG 75 HE ARG 75 7.321 -14.875 6.372 651 HH11 ARG 75 1HH1 ARG 75 5.786 -12.237 4.609 652 HH12 ARG 75 2HH1 ARG 75 4.505 -13.240 4.002 653 HH21 ARG 75 1HH2 ARG 75 5.664 -16.175 5.506 654 HH22 ARG 75 2HH2 ARG 75 4.434 -15.464 4.508 655 H GLU 76 H GLU 76 8.923 -12.871 0.876 656 HA GLU 76 HA GLU 76 8.782 -15.529 -0.144 657 HB2 GLU 76 2HB GLU 76 8.224 -12.941 -1.665 658 HB3 GLU 76 3HB GLU 76 7.661 -14.549 -2.084 659 HG2 GLU 76 2HG GLU 76 6.758 -12.850 0.250 660 HG3 GLU 76 3HG GLU 76 5.824 -13.279 -1.181 661 H GLY 77 H GLY 77 10.623 -12.605 -0.944 662 HA2 GLY 77 2HA GLY 77 12.651 -12.286 -1.971 663 HA3 GLY 77 3HA GLY 77 12.887 -14.024 -2.006 664 H SER 78 H SER 78 9.961 -13.504 -3.420 665 HA SER 78 HA SER 78 10.987 -14.222 -6.008 666 HB2 SER 78 2HB SER 78 8.529 -14.514 -6.521 667 HB3 SER 78 3HB SER 78 9.075 -15.431 -5.116 668 HG SER 78 HG SER 78 7.341 -14.466 -4.329 669 H SER 79 H SER 79 10.734 -13.066 -7.894 670 HA SER 79 HA SER 79 10.846 -10.199 -7.691 671 HB2 SER 79 2HB SER 79 12.330 -11.544 -9.192 672 HB3 SER 79 3HB SER 79 10.924 -12.006 -10.146 673 HG SER 79 HG SER 79 11.454 -9.282 -9.735 674 H GLU 80 H GLU 80 8.450 -12.570 -8.679 675 HA GLU 80 HA GLU 80 6.760 -10.820 -10.186 676 HB2 GLU 80 2HB GLU 80 6.779 -13.230 -10.631 677 HB3 GLU 80 3HB GLU 80 6.254 -13.574 -8.989 678 HG2 GLU 80 2HG GLU 80 4.398 -13.877 -10.502 679 HG3 GLU 80 3HG GLU 80 4.080 -12.492 -9.464 680 H VAL 81 H VAL 81 6.453 -9.034 -8.813 681 HA VAL 81 HA VAL 81 4.396 -9.343 -6.697 682 HB VAL 81 HB VAL 81 6.816 -7.472 -6.449 683 HG11 VAL 81 1HG1 VAL 81 4.554 -8.015 -4.480 684 HG12 VAL 81 2HG1 VAL 81 4.791 -6.537 -5.414 685 HG13 VAL 81 3HG1 VAL 81 5.960 -6.988 -4.177 686 HG21 VAL 81 1HG2 VAL 81 7.523 -9.795 -6.101 687 HG22 VAL 81 2HG2 VAL 81 6.247 -10.031 -4.905 688 HG23 VAL 81 3HG2 VAL 81 7.566 -8.904 -4.579 689 H GLU 82 H GLU 82 2.769 -7.936 -6.906 690 HA GLU 82 HA GLU 82 3.044 -5.357 -8.294 691 HB2 GLU 82 2HB GLU 82 2.205 -6.958 -9.997 692 HB3 GLU 82 3HB GLU 82 0.916 -7.465 -8.911 693 HG2 GLU 82 2HG GLU 82 0.027 -5.103 -8.984 694 HG3 GLU 82 3HG GLU 82 1.222 -4.746 -10.230 695 H VAL 83 H VAL 83 2.315 -3.901 -6.818 696 HA VAL 83 HA VAL 83 0.352 -4.657 -4.750 697 HB VAL 83 HB VAL 83 2.066 -2.119 -4.936 698 HG11 VAL 83 1HG1 VAL 83 1.443 -1.802 -2.555 699 HG12 VAL 83 2HG1 VAL 83 0.390 -3.216 -2.638 700 HG13 VAL 83 3HG1 VAL 83 0.031 -1.786 -3.610 701 HG21 VAL 83 1HG2 VAL 83 3.502 -4.098 -4.682 702 HG22 VAL 83 2HG2 VAL 83 2.572 -4.620 -3.277 703 HG23 VAL 83 3HG2 VAL 83 3.510 -3.126 -3.211 704 H ASN 84 H ASN 84 -1.699 -4.149 -5.188 705 HA ASN 84 HA ASN 84 -2.417 -1.915 -6.985 706 HB2 ASN 84 2HB ASN 84 -4.016 -4.315 -5.961 707 HB3 ASN 84 3HB ASN 84 -4.704 -3.016 -6.926 708 HD21 ASN 84 1HD2 ASN 84 -1.526 -4.584 -7.414 709 HD22 ASN 84 2HD2 ASN 84 -1.929 -5.233 -8.950 710 H VAL 85 H VAL 85 -2.564 -0.106 -5.785 711 HA VAL 85 HA VAL 85 -3.753 -0.115 -3.100 712 HB VAL 85 HB VAL 85 -2.560 2.222 -4.698 713 HG11 VAL 85 1HG1 VAL 85 -2.546 3.442 -2.544 714 HG12 VAL 85 2HG1 VAL 85 -3.347 2.080 -1.758 715 HG13 VAL 85 3HG1 VAL 85 -4.183 2.989 -3.018 716 HG21 VAL 85 1HG2 VAL 85 -0.834 0.537 -4.185 717 HG22 VAL 85 2HG2 VAL 85 -1.268 0.580 -2.476 718 HG23 VAL 85 3HG2 VAL 85 -0.568 2.007 -3.246 719 H HIS 86 H HIS 86 -5.903 -0.164 -3.156 720 HA HIS 86 HA HIS 86 -7.473 1.166 -5.259 721 HB2 HIS 86 2HB HIS 86 -8.418 -0.770 -3.094 722 HB3 HIS 86 3HB HIS 86 -9.335 -0.225 -4.488 723 HD1 HIS 86 HD1 HIS 86 -8.873 -1.403 -6.733 724 HD2 HIS 86 HD2 HIS 86 -6.504 -2.791 -3.612 725 HE1 HIS 86 HE1 HIS 86 -7.859 -3.546 -7.552 726 HE2 HIS 86 HE2 HIS 86 -6.582 -4.447 -5.593 727 H SER 87 H SER 87 -8.516 3.045 -4.755 728 HA SER 87 HA SER 87 -9.561 3.589 -2.122 729 HB2 SER 87 2HB SER 87 -7.199 4.375 -1.885 730 HB3 SER 87 3HB SER 87 -7.413 5.431 -3.283 731 HG SER 87 HG SER 87 -8.442 5.647 -0.695 732 H GLY 88 H GLY 88 -11.561 4.146 -2.674 733 HA2 GLY 88 2HA GLY 88 -13.319 5.382 -3.489 734 HA3 GLY 88 3HA GLY 88 -12.155 6.490 -4.191 735 H GLY 89 H GLY 89 -12.152 3.059 -4.916 736 HA2 GLY 89 2HA GLY 89 -12.895 1.869 -6.789 737 HA3 GLY 89 3HA GLY 89 -13.461 3.366 -7.527 738 H GLN 90 H GLN 90 -10.649 4.452 -6.734 739 HA GLN 90 HA GLN 90 -9.415 4.007 -9.313 740 HB2 GLN 90 2HB GLN 90 -8.485 5.586 -6.868 741 HB3 GLN 90 3HB GLN 90 -7.712 5.642 -8.447 742 HG2 GLN 90 2HG GLN 90 -9.678 6.672 -9.428 743 HG3 GLN 90 3HG GLN 90 -10.570 6.497 -7.917 744 HE21 GLN 90 1HE2 GLN 90 -8.403 7.332 -6.161 745 HE22 GLN 90 2HE2 GLN 90 -8.206 9.029 -6.405 746 H THR 91 H THR 91 -7.473 2.890 -9.683 747 HA THR 91 HA THR 91 -6.220 1.492 -7.400 748 HB THR 91 HB THR 91 -6.862 0.194 -10.092 749 HG1 THR 91 HG1 THR 91 -8.714 0.345 -8.808 750 HG21 THR 91 1HG2 THR 91 -6.016 -1.879 -9.051 751 HG22 THR 91 2HG2 THR 91 -5.604 -0.996 -7.580 752 HG23 THR 91 3HG2 THR 91 -4.750 -0.652 -9.087 753 H TRP 92 H TRP 92 -4.147 1.979 -7.318 754 HA TRP 92 HA TRP 92 -2.621 2.671 -9.754 755 HB2 TRP 92 2HB TRP 92 -1.930 3.091 -6.801 756 HB3 TRP 92 3HB TRP 92 -0.973 3.648 -8.173 757 HD1 TRP 92 HD1 TRP 92 -1.944 5.792 -9.553 758 HE1 TRP 92 HE1 TRP 92 -3.644 7.611 -8.914 759 HE3 TRP 92 HE3 TRP 92 -4.054 3.574 -5.462 760 HZ2 TRP 92 HZ2 TRP 92 -5.601 8.059 -6.951 761 HZ3 TRP 92 HZ3 TRP 92 -5.833 4.762 -4.255 762 HH2 TRP 92 HH2 TRP 92 -6.593 6.968 -4.983 763 H THR 93 H THR 93 -1.606 0.929 -10.595 764 HA THR 93 HA THR 93 -0.897 -1.382 -8.912 765 HB THR 93 HB THR 93 -0.458 -2.471 -11.215 766 HG1 THR 93 HG1 THR 93 -1.611 -1.293 -12.948 767 HG21 THR 93 1HG2 THR 93 -2.848 -2.811 -11.738 768 HG22 THR 93 2HG2 THR 93 -3.281 -1.456 -10.693 769 HG23 THR 93 3HG2 THR 93 -2.560 -2.911 -10.001 770 H PHE 94 H PHE 94 1.012 -0.905 -7.936 771 HA PHE 94 HA PHE 94 3.351 0.045 -9.424 772 HB2 PHE 94 2HB PHE 94 3.075 -0.816 -6.490 773 HB3 PHE 94 3HB PHE 94 4.484 -0.043 -7.207 774 HD1 PHE 94 HD1 PHE 94 0.991 0.490 -6.081 775 HD2 PHE 94 HD2 PHE 94 4.526 2.352 -7.608 776 HE1 PHE 94 HE1 PHE 94 0.100 2.703 -5.479 777 HE2 PHE 94 HE2 PHE 94 3.622 4.555 -7.002 778 HZ PHE 94 HZ PHE 94 1.414 4.733 -5.936 779 H ASN 95 H ASN 95 4.207 -1.514 -10.698 780 HA ASN 95 HA ASN 95 4.499 -4.255 -9.599 781 HB2 ASN 95 2HB ASN 95 4.259 -5.129 -11.901 782 HB3 ASN 95 3HB ASN 95 2.823 -4.258 -11.385 783 HD21 ASN 95 1HD2 ASN 95 2.491 -2.104 -12.253 784 HD22 ASN 95 2HD2 ASN 95 3.125 -1.701 -13.808 785 H GLU 96 H GLU 96 6.469 -5.062 -9.531 786 HA GLU 96 HA GLU 96 8.761 -3.465 -10.340 787 HB2 GLU 96 2HB GLU 96 8.546 -4.818 -8.163 788 HB3 GLU 96 3HB GLU 96 8.749 -6.267 -9.129 789 HG2 GLU 96 2HG GLU 96 10.796 -4.038 -9.074 790 HG3 GLU 96 3HG GLU 96 10.813 -5.370 -7.928 791 H LYS 97 H LYS 97 9.328 -3.512 -12.413 792 HA LYS 97 HA LYS 97 8.361 -5.612 -14.198 793 HB2 LYS 97 2HB LYS 97 9.780 -3.032 -15.009 794 HB3 LYS 97 3HB LYS 97 8.714 -4.033 -15.990 795 HG2 LYS 97 2HG LYS 97 6.827 -3.410 -14.426 796 HG3 LYS 97 3HG LYS 97 7.932 -2.285 -13.641 797 HD2 LYS 97 2HD LYS 97 6.626 -0.995 -15.176 798 HD3 LYS 97 3HD LYS 97 8.230 -1.151 -15.892 799 HE2 LYS 97 2HE LYS 97 6.506 -1.456 -17.594 800 HE3 LYS 97 3HE LYS 97 7.382 -2.970 -17.358 801 HZ1 LYS 97 1HZ LYS 97 5.550 -3.713 -15.920 802 HZ2 LYS 97 2HZ LYS 97 5.021 -3.374 -17.491 803 HZ3 LYS 97 3HZ LYS 97 4.716 -2.277 -16.238 Start of MODEL 8 1 H1 MET 1 1H MET 1 17.226 -8.530 -32.367 2 H2 MET 1 2H MET 1 17.428 -7.155 -31.409 3 H3 MET 1 3H MET 1 16.348 -7.127 -32.703 4 HA MET 1 HA MET 1 15.222 -7.303 -30.581 5 HB2 MET 1 2HB MET 1 13.747 -9.191 -31.218 6 HB3 MET 1 3HB MET 1 14.148 -8.182 -32.598 7 HG2 MET 1 2HG MET 1 15.487 -10.823 -31.975 8 HG3 MET 1 3HG MET 1 14.140 -10.620 -33.095 9 HE1 MET 1 1HE MET 1 15.518 -11.791 -35.065 10 HE2 MET 1 2HE MET 1 16.859 -12.051 -33.948 11 HE3 MET 1 3HE MET 1 17.153 -11.313 -35.522 12 H GLY 2 H GLY 2 18.073 -8.425 -30.182 13 HA2 GLY 2 2HA GLY 2 17.569 -10.814 -28.532 14 HA3 GLY 2 3HA GLY 2 19.129 -10.190 -29.043 15 H HIS 3 H HIS 3 16.329 -9.083 -27.112 16 HA HIS 3 HA HIS 3 18.178 -7.949 -25.095 17 HB2 HIS 3 2HB HIS 3 15.208 -7.393 -25.499 18 HB3 HIS 3 3HB HIS 3 16.260 -6.597 -24.333 19 HD1 HIS 3 HD1 HIS 3 14.682 -5.773 -27.297 20 HD2 HIS 3 HD2 HIS 3 18.644 -5.443 -26.072 21 HE1 HIS 3 HE1 HIS 3 15.704 -4.020 -28.773 22 HE2 HIS 3 HE2 HIS 3 18.025 -3.698 -27.868 23 H HIS 4 H HIS 4 18.518 -9.248 -23.437 24 HA HIS 4 HA HIS 4 16.324 -10.882 -22.298 25 HB2 HIS 4 2HB HIS 4 19.247 -11.725 -22.624 26 HB3 HIS 4 3HB HIS 4 18.010 -12.653 -21.781 27 HD1 HIS 4 HD1 HIS 4 16.177 -13.803 -23.245 28 HD2 HIS 4 HD2 HIS 4 19.177 -11.925 -25.427 29 HE1 HIS 4 HE1 HIS 4 15.913 -14.614 -25.600 30 HE2 HIS 4 HE2 HIS 4 17.853 -13.620 -26.844 31 H HIS 5 H HIS 5 16.185 -10.815 -20.091 32 HA HIS 5 HA HIS 5 17.624 -8.762 -18.666 33 HB2 HIS 5 2HB HIS 5 15.638 -10.841 -17.637 34 HB3 HIS 5 3HB HIS 5 16.278 -9.509 -16.682 35 HD1 HIS 5 HD1 HIS 5 15.401 -7.132 -17.216 36 HD2 HIS 5 HD2 HIS 5 13.584 -10.151 -19.407 37 HE1 HIS 5 HE1 HIS 5 13.359 -6.097 -18.222 38 HE2 HIS 5 HE2 HIS 5 12.149 -8.009 -19.321 39 H HIS 6 H HIS 6 19.779 -9.423 -18.741 40 HA HIS 6 HA HIS 6 20.686 -11.881 -17.520 41 HB2 HIS 6 2HB HIS 6 21.977 -10.625 -19.312 42 HB3 HIS 6 3HB HIS 6 22.305 -9.362 -18.137 43 HD1 HIS 6 HD1 HIS 6 24.288 -9.723 -16.593 44 HD2 HIS 6 HD2 HIS 6 23.247 -13.145 -18.704 45 HE1 HIS 6 HE1 HIS 6 26.118 -11.382 -16.143 46 HE2 HIS 6 HE2 HIS 6 25.521 -13.390 -17.529 47 H HIS 7 H HIS 7 19.711 -11.902 -15.503 48 HA HIS 7 HA HIS 7 19.263 -9.717 -13.841 49 HB2 HIS 7 2HB HIS 7 18.655 -11.328 -12.072 50 HB3 HIS 7 3HB HIS 7 17.975 -11.802 -13.620 51 HD1 HIS 7 HD1 HIS 7 18.856 -13.988 -14.690 52 HD2 HIS 7 HD2 HIS 7 20.533 -13.134 -10.983 53 HE1 HIS 7 HE1 HIS 7 20.016 -16.087 -13.966 54 HE2 HIS 7 HE2 HIS 7 21.170 -15.492 -11.823 55 H HIS 8 H HIS 8 20.275 -8.834 -12.119 56 HA HIS 8 HA HIS 8 23.148 -9.002 -12.073 57 HB2 HIS 8 2HB HIS 8 21.242 -7.316 -10.379 58 HB3 HIS 8 3HB HIS 8 22.991 -7.109 -10.456 59 HD1 HIS 8 HD1 HIS 8 20.609 -5.062 -11.348 60 HD2 HIS 8 HD2 HIS 8 23.203 -7.163 -13.818 61 HE1 HIS 8 HE1 HIS 8 20.677 -3.775 -13.499 62 HE2 HIS 8 HE2 HIS 8 22.440 -4.930 -14.868 63 H GLU 9 H GLU 9 24.311 -9.030 -9.966 64 HA GLU 9 HA GLU 9 23.670 -11.413 -8.451 65 HB2 GLU 9 2HB GLU 9 25.983 -9.444 -8.174 66 HB3 GLU 9 3HB GLU 9 25.876 -11.019 -7.382 67 HG2 GLU 9 2HG GLU 9 25.947 -12.158 -9.543 68 HG3 GLU 9 3HG GLU 9 25.922 -10.611 -10.389 69 H ASN 10 H ASN 10 23.527 -11.460 -6.117 70 HA ASN 10 HA ASN 10 22.063 -9.129 -5.026 71 HB2 ASN 10 2HB ASN 10 21.990 -12.063 -4.173 72 HB3 ASN 10 3HB ASN 10 21.037 -10.769 -3.446 73 HD21 ASN 10 1HD2 ASN 10 19.323 -9.841 -4.663 74 HD22 ASN 10 2HD2 ASN 10 18.643 -10.663 -6.020 75 H LEU 11 H LEU 11 22.640 -8.243 -3.064 76 HA LEU 11 HA LEU 11 25.303 -8.526 -2.115 77 HB2 LEU 11 2HB LEU 11 24.809 -6.829 -0.523 78 HB3 LEU 11 3HB LEU 11 23.913 -6.404 -1.963 79 HG LEU 11 HG LEU 11 22.651 -7.710 0.495 80 HD11 LEU 11 1HD1 LEU 11 23.508 -5.508 1.093 81 HD12 LEU 11 2HD1 LEU 11 21.748 -5.497 1.049 82 HD13 LEU 11 3HD1 LEU 11 22.666 -4.778 -0.278 83 HD21 LEU 11 1HD2 LEU 11 21.360 -8.092 -1.575 84 HD22 LEU 11 2HD2 LEU 11 21.323 -6.354 -1.879 85 HD23 LEU 11 3HD2 LEU 11 20.500 -7.023 -0.467 86 H TYR 12 H TYR 12 26.109 -9.598 -0.363 87 HA TYR 12 HA TYR 12 24.370 -11.503 1.075 88 HB2 TYR 12 2HB TYR 12 27.347 -11.509 0.448 89 HB3 TYR 12 3HB TYR 12 26.685 -12.545 1.708 90 HD1 TYR 12 HD1 TYR 12 26.556 -11.840 -1.967 91 HD2 TYR 12 HD2 TYR 12 25.524 -14.569 1.159 92 HE1 TYR 12 HE1 TYR 12 25.910 -13.518 -3.643 93 HE2 TYR 12 HE2 TYR 12 24.877 -16.245 -0.515 94 HH TYR 12 HH TYR 12 24.193 -16.376 -2.830 95 H PHE 13 H PHE 13 24.951 -8.524 1.585 96 HA PHE 13 HA PHE 13 26.100 -8.411 4.219 97 HB2 PHE 13 2HB PHE 13 24.444 -6.403 2.612 98 HB3 PHE 13 3HB PHE 13 25.113 -6.054 4.206 99 HD1 PHE 13 HD1 PHE 13 27.538 -5.793 4.527 100 HD2 PHE 13 HD2 PHE 13 25.906 -6.518 0.638 101 HE1 PHE 13 HE1 PHE 13 29.670 -5.134 3.500 102 HE2 PHE 13 HE2 PHE 13 28.046 -5.853 -0.379 103 HZ PHE 13 HZ PHE 13 29.931 -5.163 1.055 104 H GLN 14 H GLN 14 25.043 -8.244 6.161 105 HA GLN 14 HA GLN 14 22.685 -9.760 6.514 106 HB2 GLN 14 2HB GLN 14 24.574 -9.533 8.188 107 HB3 GLN 14 3HB GLN 14 23.996 -7.912 8.558 108 HG2 GLN 14 2HG GLN 14 23.237 -9.527 10.245 109 HG3 GLN 14 3HG GLN 14 21.856 -8.858 9.368 110 HE21 GLN 14 1HE2 GLN 14 20.552 -10.633 9.880 111 HE22 GLN 14 2HE2 GLN 14 20.773 -12.190 9.166 112 H SER 15 H SER 15 23.294 -6.327 6.250 113 HA SER 15 HA SER 15 20.722 -5.381 7.038 114 HB2 SER 15 2HB SER 15 21.509 -3.263 5.846 115 HB3 SER 15 3HB SER 15 22.604 -3.852 7.099 116 HG SER 15 HG SER 15 22.850 -4.297 4.302 117 H HIS 16 H HIS 16 19.435 -6.996 5.853 118 HA HIS 16 HA HIS 16 19.123 -6.631 2.968 119 HB2 HIS 16 2HB HIS 16 18.920 -8.921 3.996 120 HB3 HIS 16 3HB HIS 16 17.488 -8.377 4.866 121 HD1 HIS 16 HD1 HIS 16 15.295 -8.367 3.606 122 HD2 HIS 16 HD2 HIS 16 18.553 -9.080 1.125 123 HE1 HIS 16 HE1 HIS 16 14.327 -8.930 1.366 124 HE2 HIS 16 HE2 HIS 16 16.313 -9.233 -0.145 125 H MET 17 H MET 17 18.604 -4.409 3.096 126 HA MET 17 HA MET 17 16.321 -3.434 4.581 127 HB2 MET 17 2HB MET 17 18.043 -2.072 2.465 128 HB3 MET 17 3HB MET 17 16.835 -1.264 3.454 129 HG2 MET 17 2HG MET 17 18.148 -1.797 5.480 130 HG3 MET 17 3HG MET 17 19.367 -2.583 4.470 131 HE1 MET 17 1HE MET 17 21.238 -1.008 5.602 132 HE2 MET 17 2HE MET 17 20.005 -0.200 6.574 133 HE3 MET 17 3HE MET 17 21.139 0.753 5.616 134 H THR 18 H THR 18 14.374 -2.698 3.725 135 HA THR 18 HA THR 18 13.325 -4.045 1.428 136 HB THR 18 HB THR 18 12.096 -1.792 3.077 137 HG1 THR 18 HG1 THR 18 12.345 -4.570 3.496 138 HG21 THR 18 1HG2 THR 18 9.939 -2.677 2.320 139 HG22 THR 18 2HG2 THR 18 10.759 -3.910 1.368 140 HG23 THR 18 3HG2 THR 18 10.916 -2.210 0.923 141 H ASP 19 H ASP 19 12.553 -3.083 -0.500 142 HA ASP 19 HA ASP 19 14.188 -1.090 -1.671 143 HB2 ASP 19 2HB ASP 19 13.153 -2.991 -2.924 144 HB3 ASP 19 3HB ASP 19 11.565 -2.273 -2.682 145 H GLU 20 H GLU 20 13.492 0.926 -2.613 146 HA GLU 20 HA GLU 20 12.006 2.548 -0.739 147 HB2 GLU 20 2HB GLU 20 13.497 3.309 -3.275 148 HB3 GLU 20 3HB GLU 20 12.841 4.455 -2.107 149 HG2 GLU 20 2HG GLU 20 14.360 3.474 -0.362 150 HG3 GLU 20 3HG GLU 20 15.060 2.440 -1.605 151 H LEU 21 H LEU 21 10.706 0.651 -2.967 152 HA LEU 21 HA LEU 21 8.853 2.293 -4.313 153 HB2 LEU 21 2HB LEU 21 7.498 0.241 -4.610 154 HB3 LEU 21 3HB LEU 21 9.183 0.016 -5.022 155 HG LEU 21 HG LEU 21 9.381 -1.057 -2.608 156 HD11 LEU 21 1HD1 LEU 21 7.146 -0.488 -1.776 157 HD12 LEU 21 2HD1 LEU 21 7.371 -2.234 -1.833 158 HD13 LEU 21 3HD1 LEU 21 6.405 -1.430 -3.073 159 HD21 LEU 21 1HD2 LEU 21 9.733 -2.293 -4.692 160 HD22 LEU 21 2HD2 LEU 21 7.992 -2.543 -4.856 161 HD23 LEU 21 3HD2 LEU 21 8.869 -3.275 -3.508 162 H LEU 22 H LEU 22 9.153 1.404 -1.016 163 HA LEU 22 HA LEU 22 6.554 1.446 -0.031 164 HB2 LEU 22 2HB LEU 22 9.039 2.500 1.371 165 HB3 LEU 22 3HB LEU 22 7.547 2.006 2.150 166 HG LEU 22 HG LEU 22 9.544 0.202 0.749 167 HD11 LEU 22 1HD1 LEU 22 9.881 -0.735 2.999 168 HD12 LEU 22 2HD1 LEU 22 8.758 0.450 3.667 169 HD13 LEU 22 3HD1 LEU 22 10.276 0.981 2.936 170 HD21 LEU 22 1HD2 LEU 22 7.292 -0.656 0.323 171 HD22 LEU 22 2HD2 LEU 22 6.908 -0.573 2.044 172 HD23 LEU 22 3HD2 LEU 22 8.145 -1.691 1.466 173 H GLU 23 H GLU 23 8.904 4.182 -0.141 174 HA GLU 23 HA GLU 23 7.092 6.073 0.944 175 HB2 GLU 23 2HB GLU 23 9.558 6.285 1.160 176 HB3 GLU 23 3HB GLU 23 9.679 6.633 -0.563 177 HG2 GLU 23 2HG GLU 23 8.430 8.704 -0.293 178 HG3 GLU 23 3HG GLU 23 8.074 8.326 1.389 179 H ARG 24 H ARG 24 7.581 4.949 -2.282 180 HA ARG 24 HA ARG 24 6.439 7.103 -3.749 181 HB2 ARG 24 2HB ARG 24 6.358 4.136 -4.457 182 HB3 ARG 24 3HB ARG 24 6.172 5.489 -5.575 183 HG2 ARG 24 2HG ARG 24 8.521 6.172 -5.099 184 HG3 ARG 24 3HG ARG 24 8.688 4.777 -4.031 185 HD2 ARG 24 2HD ARG 24 8.149 3.309 -6.016 186 HD3 ARG 24 3HD ARG 24 8.248 4.753 -7.033 187 HE ARG 24 HE ARG 24 10.612 4.870 -5.850 188 HH11 ARG 24 1HH1 ARG 24 9.004 2.038 -7.208 189 HH12 ARG 24 2HH1 ARG 24 10.488 1.239 -7.601 190 HH21 ARG 24 1HH2 ARG 24 12.534 3.803 -6.358 191 HH22 ARG 24 2HH2 ARG 24 12.500 2.252 -7.112 192 H LEU 25 H LEU 25 5.068 4.263 -2.105 193 HA LEU 25 HA LEU 25 2.324 4.880 -2.737 194 HB2 LEU 25 2HB LEU 25 3.624 2.982 -0.755 195 HB3 LEU 25 3HB LEU 25 1.903 3.313 -0.684 196 HG LEU 25 HG LEU 25 1.816 2.556 -3.168 197 HD11 LEU 25 1HD1 LEU 25 3.523 0.961 -3.882 198 HD12 LEU 25 2HD1 LEU 25 4.468 1.307 -2.430 199 HD13 LEU 25 3HD1 LEU 25 4.209 2.568 -3.636 200 HD21 LEU 25 1HD2 LEU 25 1.515 0.229 -2.510 201 HD22 LEU 25 2HD2 LEU 25 0.842 1.310 -1.296 202 HD23 LEU 25 3HD2 LEU 25 2.392 0.521 -1.007 203 H ARG 26 H ARG 26 4.582 5.696 -0.145 204 HA ARG 26 HA ARG 26 2.756 6.619 1.788 205 HB2 ARG 26 2HB ARG 26 5.240 6.084 2.067 206 HB3 ARG 26 3HB ARG 26 5.599 7.651 1.381 207 HG2 ARG 26 2HG ARG 26 3.859 7.420 3.845 208 HG3 ARG 26 3HG ARG 26 5.609 7.320 3.981 209 HD2 ARG 26 2HD ARG 26 4.076 9.657 2.805 210 HD3 ARG 26 3HD ARG 26 4.748 9.585 4.439 211 HE ARG 26 HE ARG 26 6.913 9.079 2.928 212 HH11 ARG 26 1HH1 ARG 26 4.532 11.646 2.683 213 HH12 ARG 26 2HH1 ARG 26 5.655 12.792 2.029 214 HH21 ARG 26 1HH2 ARG 26 8.411 10.625 2.178 215 HH22 ARG 26 2HH2 ARG 26 7.857 12.211 1.747 216 H GLN 27 H GLN 27 4.279 8.264 -0.995 217 HA GLN 27 HA GLN 27 3.373 10.894 -0.521 218 HB2 GLN 27 2HB GLN 27 3.655 9.554 -3.245 219 HB3 GLN 27 3HB GLN 27 3.653 11.286 -2.933 220 HG2 GLN 27 2HG GLN 27 5.789 9.302 -2.118 221 HG3 GLN 27 3HG GLN 27 5.904 10.506 -3.395 222 HE21 GLN 27 1HE2 GLN 27 7.627 10.120 -1.077 223 HE22 GLN 27 2HE2 GLN 27 7.619 11.618 -0.216 224 H LEU 28 H LEU 28 1.887 8.167 -2.216 225 HA LEU 28 HA LEU 28 -0.471 9.426 -3.127 226 HB2 LEU 28 2HB LEU 28 0.440 7.324 -4.069 227 HB3 LEU 28 3HB LEU 28 0.107 6.495 -2.558 228 HG LEU 28 HG LEU 28 -2.345 6.838 -2.924 229 HD11 LEU 28 1HD1 LEU 28 -2.278 8.864 -4.291 230 HD12 LEU 28 2HD1 LEU 28 -3.196 7.587 -5.082 231 HD13 LEU 28 3HD1 LEU 28 -1.559 7.959 -5.628 232 HD21 LEU 28 1HD2 LEU 28 -1.279 4.741 -3.613 233 HD22 LEU 28 2HD2 LEU 28 -0.952 5.416 -5.212 234 HD23 LEU 28 3HD2 LEU 28 -2.616 5.167 -4.679 235 H PHE 29 H PHE 29 0.344 7.712 -0.149 236 HA PHE 29 HA PHE 29 -2.339 7.593 0.888 237 HB2 PHE 29 2HB PHE 29 0.344 7.155 2.276 238 HB3 PHE 29 3HB PHE 29 -1.224 6.807 2.996 239 HD1 PHE 29 HD1 PHE 29 -2.228 5.682 0.089 240 HD2 PHE 29 HD2 PHE 29 1.002 4.803 2.770 241 HE1 PHE 29 HE1 PHE 29 -2.104 3.396 -0.786 242 HE2 PHE 29 HE2 PHE 29 1.103 2.510 1.871 243 HZ PHE 29 HZ PHE 29 -0.449 1.811 0.098 244 H GLU 30 H GLU 30 0.365 9.837 1.150 245 HA GLU 30 HA GLU 30 -0.745 11.529 3.153 246 HB2 GLU 30 2HB GLU 30 1.299 12.069 0.964 247 HB3 GLU 30 3HB GLU 30 0.845 13.271 2.165 248 HG2 GLU 30 2HG GLU 30 2.079 10.578 2.786 249 HG3 GLU 30 3HG GLU 30 2.965 12.092 2.711 250 H GLU 31 H GLU 31 -1.101 11.321 -0.349 251 HA GLU 31 HA GLU 31 -2.723 13.657 -0.705 252 HB2 GLU 31 2HB GLU 31 -1.443 12.669 -2.540 253 HB3 GLU 31 3HB GLU 31 -2.356 11.170 -2.419 254 HG2 GLU 31 2HG GLU 31 -4.365 12.240 -3.223 255 HG3 GLU 31 3HG GLU 31 -3.627 13.836 -3.115 256 H LEU 32 H LEU 32 -3.392 10.253 -0.021 257 HA LEU 32 HA LEU 32 -6.277 10.558 -0.112 258 HB2 LEU 32 2HB LEU 32 -4.545 8.301 0.976 259 HB3 LEU 32 3HB LEU 32 -6.293 8.229 0.805 260 HG LEU 32 HG LEU 32 -4.315 8.501 -1.497 261 HD11 LEU 32 1HD1 LEU 32 -4.204 6.274 -0.498 262 HD12 LEU 32 2HD1 LEU 32 -4.912 6.216 -2.109 263 HD13 LEU 32 3HD1 LEU 32 -5.951 6.081 -0.686 264 HD21 LEU 32 1HD2 LEU 32 -7.329 8.175 -1.595 265 HD22 LEU 32 2HD2 LEU 32 -6.235 8.167 -2.982 266 HD23 LEU 32 3HD2 LEU 32 -6.416 9.628 -2.017 267 H HIS 33 H HIS 33 -3.782 11.117 2.190 268 HA HIS 33 HA HIS 33 -5.237 10.837 4.615 269 HB2 HIS 33 2HB HIS 33 -2.733 10.946 4.458 270 HB3 HIS 33 3HB HIS 33 -2.847 12.657 4.063 271 HD1 HIS 33 HD1 HIS 33 -2.865 14.236 6.016 272 HD2 HIS 33 HD2 HIS 33 -3.702 10.333 7.140 273 HE1 HIS 33 HE1 HIS 33 -2.970 14.260 8.522 274 HE2 HIS 33 HE2 HIS 33 -3.643 11.927 9.159 275 H GLU 34 H GLU 34 -5.279 13.306 2.140 276 HA GLU 34 HA GLU 34 -6.074 15.481 3.814 277 HB2 GLU 34 2HB GLU 34 -6.428 16.780 1.834 278 HB3 GLU 34 3HB GLU 34 -4.991 15.809 1.582 279 HG2 GLU 34 2HG GLU 34 -6.042 15.735 -0.486 280 HG3 GLU 34 3HG GLU 34 -6.546 14.220 0.247 281 H ARG 35 H ARG 35 -7.822 12.794 2.364 282 HA ARG 35 HA ARG 35 -10.337 13.991 3.445 283 HB2 ARG 35 2HB ARG 35 -11.690 12.958 1.844 284 HB3 ARG 35 3HB ARG 35 -10.332 13.554 0.912 285 HG2 ARG 35 2HG ARG 35 -10.644 10.673 1.800 286 HG3 ARG 35 3HG ARG 35 -11.208 11.291 0.254 287 HD2 ARG 35 2HD ARG 35 -8.337 11.355 1.171 288 HD3 ARG 35 3HD ARG 35 -9.020 10.090 0.161 289 HE ARG 35 HE ARG 35 -8.348 12.821 -0.607 290 HH11 ARG 35 1HH1 ARG 35 -9.833 9.774 -1.621 291 HH12 ARG 35 2HH1 ARG 35 -9.723 10.170 -3.306 292 HH21 ARG 35 1HH2 ARG 35 -8.172 13.261 -2.818 293 HH22 ARG 35 2HH2 ARG 35 -8.786 12.127 -3.979 294 H GLY 36 H GLY 36 -8.024 11.620 3.899 295 HA2 GLY 36 2HA GLY 36 -7.707 10.048 5.499 296 HA3 GLY 36 3HA GLY 36 -9.041 10.788 6.358 297 H THR 37 H THR 37 -9.330 9.246 3.189 298 HA THR 37 HA THR 37 -11.644 7.792 4.069 299 HB THR 37 HB THR 37 -11.426 8.864 1.772 300 HG1 THR 37 HG1 THR 37 -12.255 6.777 0.710 301 HG21 THR 37 1HG2 THR 37 -10.299 7.612 -0.033 302 HG22 THR 37 2HG2 THR 37 -9.682 6.448 1.139 303 HG23 THR 37 3HG2 THR 37 -9.124 8.123 1.186 304 H GLU 38 H GLU 38 -11.835 5.459 3.077 305 HA GLU 38 HA GLU 38 -10.040 3.699 4.411 306 HB2 GLU 38 2HB GLU 38 -11.436 1.888 3.329 307 HB3 GLU 38 3HB GLU 38 -12.329 3.042 4.308 308 HG2 GLU 38 2HG GLU 38 -13.026 4.228 2.222 309 HG3 GLU 38 3HG GLU 38 -12.215 2.980 1.276 310 H ILE 39 H ILE 39 -8.086 3.276 3.705 311 HA ILE 39 HA ILE 39 -7.397 3.212 0.845 312 HB ILE 39 HB ILE 39 -5.554 3.045 3.279 313 HG12 ILE 39 2HG1 ILE 39 -6.113 5.452 1.480 314 HG13 ILE 39 3HG1 ILE 39 -6.711 5.259 3.122 315 HG21 ILE 39 1HG2 ILE 39 -4.880 3.458 0.343 316 HG22 ILE 39 2HG2 ILE 39 -4.588 1.986 1.274 317 HG23 ILE 39 3HG2 ILE 39 -3.722 3.469 1.677 318 HD11 ILE 39 1HD1 ILE 39 -3.817 5.538 2.302 319 HD12 ILE 39 2HD1 ILE 39 -4.397 5.282 3.953 320 HD13 ILE 39 3HD1 ILE 39 -4.831 6.754 3.084 321 H VAL 40 H VAL 40 -7.468 1.288 -0.137 322 HA VAL 40 HA VAL 40 -7.121 -1.227 1.388 323 HB VAL 40 HB VAL 40 -8.317 -0.961 -1.408 324 HG11 VAL 40 1HG1 VAL 40 -8.483 -3.213 0.620 325 HG12 VAL 40 2HG1 VAL 40 -7.509 -3.207 -0.851 326 HG13 VAL 40 3HG1 VAL 40 -9.271 -3.198 -0.962 327 HG21 VAL 40 1HG2 VAL 40 -9.727 0.373 0.080 328 HG22 VAL 40 2HG2 VAL 40 -9.849 -0.973 1.212 329 HG23 VAL 40 3HG2 VAL 40 -10.576 -1.104 -0.390 330 H VAL 41 H VAL 41 -4.930 -1.607 1.303 331 HA VAL 41 HA VAL 41 -3.423 -1.366 -1.220 332 HB VAL 41 HB VAL 41 -2.440 -2.186 1.557 333 HG11 VAL 41 1HG1 VAL 41 -0.181 -1.642 0.728 334 HG12 VAL 41 2HG1 VAL 41 -0.846 -1.286 -0.868 335 HG13 VAL 41 3HG1 VAL 41 -0.924 -2.929 -0.225 336 HG21 VAL 41 1HG2 VAL 41 -3.360 0.085 1.648 337 HG22 VAL 41 2HG2 VAL 41 -2.348 0.569 0.286 338 HG23 VAL 41 3HG2 VAL 41 -1.603 0.117 1.820 339 H GLU 42 H GLU 42 -2.610 -3.241 -2.290 340 HA GLU 42 HA GLU 42 -3.394 -5.856 -1.239 341 HB2 GLU 42 2HB GLU 42 -5.264 -4.901 -2.679 342 HB3 GLU 42 3HB GLU 42 -4.163 -5.008 -4.045 343 HG2 GLU 42 2HG GLU 42 -4.009 -7.442 -3.761 344 HG3 GLU 42 3HG GLU 42 -5.067 -7.351 -2.349 345 H VAL 43 H VAL 43 -1.536 -6.931 -1.176 346 HA VAL 43 HA VAL 43 0.657 -6.353 -3.024 347 HB VAL 43 HB VAL 43 0.603 -8.293 -0.666 348 HG11 VAL 43 1HG1 VAL 43 3.069 -8.099 -0.706 349 HG12 VAL 43 2HG1 VAL 43 2.964 -7.076 -2.141 350 HG13 VAL 43 3HG1 VAL 43 2.440 -8.760 -2.217 351 HG21 VAL 43 1HG2 VAL 43 1.526 -5.400 -0.669 352 HG22 VAL 43 2HG2 VAL 43 1.671 -6.529 0.681 353 HG23 VAL 43 3HG2 VAL 43 0.075 -6.022 0.120 354 H HIS 44 H HIS 44 0.871 -7.521 -4.865 355 HA HIS 44 HA HIS 44 -0.232 -10.266 -5.099 356 HB2 HIS 44 2HB HIS 44 0.511 -8.190 -7.205 357 HB3 HIS 44 3HB HIS 44 0.112 -9.856 -7.605 358 HD1 HIS 44 HD1 HIS 44 -1.687 -8.349 -9.064 359 HD2 HIS 44 HD2 HIS 44 -2.369 -8.749 -4.984 360 HE1 HIS 44 HE1 HIS 44 -4.120 -7.844 -8.727 361 HE2 HIS 44 HE2 HIS 44 -4.535 -8.380 -6.321 362 H ILE 45 H ILE 45 1.318 -11.769 -4.625 363 HA ILE 45 HA ILE 45 3.894 -11.625 -6.072 364 HB ILE 45 HB ILE 45 3.632 -12.381 -3.126 365 HG12 ILE 45 2HG1 ILE 45 5.076 -10.061 -4.480 366 HG13 ILE 45 3HG1 ILE 45 3.659 -9.951 -3.445 367 HG21 ILE 45 1HG2 ILE 45 6.080 -12.795 -3.180 368 HG22 ILE 45 2HG2 ILE 45 6.087 -12.511 -4.921 369 HG23 ILE 45 3HG2 ILE 45 5.212 -13.890 -4.256 370 HD11 ILE 45 1HD1 ILE 45 6.418 -10.794 -2.593 371 HD12 ILE 45 2HD1 ILE 45 4.990 -10.731 -1.557 372 HD13 ILE 45 3HD1 ILE 45 5.626 -9.252 -2.270 373 H ASN 46 H ASN 46 3.844 -13.272 -7.399 374 HA ASN 46 HA ASN 46 3.719 -15.307 -8.338 375 HB2 ASN 46 2HB ASN 46 4.051 -16.236 -5.458 376 HB3 ASN 46 3HB ASN 46 4.180 -17.310 -6.849 377 HD21 ASN 46 1HD2 ASN 46 6.234 -16.855 -4.964 378 HD22 ASN 46 2HD2 ASN 46 7.565 -16.122 -5.782 379 H GLY 47 H GLY 47 1.134 -14.051 -7.219 380 HA2 GLY 47 2HA GLY 47 -0.976 -14.874 -8.130 381 HA3 GLY 47 3HA GLY 47 -0.585 -16.464 -7.495 382 H GLU 48 H GLU 48 0.482 -14.795 -5.028 383 HA GLU 48 HA GLU 48 -1.949 -15.026 -3.463 384 HB2 GLU 48 2HB GLU 48 0.820 -14.008 -2.632 385 HB3 GLU 48 3HB GLU 48 -0.497 -14.425 -1.539 386 HG2 GLU 48 2HG GLU 48 -0.363 -16.777 -2.287 387 HG3 GLU 48 3HG GLU 48 0.969 -16.353 -3.362 388 H ARG 49 H ARG 49 -3.429 -13.385 -3.485 389 HA ARG 49 HA ARG 49 -2.562 -10.572 -3.599 390 HB2 ARG 49 2HB ARG 49 -4.946 -10.018 -3.890 391 HB3 ARG 49 3HB ARG 49 -4.454 -11.229 -5.065 392 HG2 ARG 49 2HG ARG 49 -5.544 -12.992 -3.693 393 HG3 ARG 49 3HG ARG 49 -6.061 -11.760 -2.540 394 HD2 ARG 49 2HD ARG 49 -6.906 -11.973 -5.452 395 HD3 ARG 49 3HD ARG 49 -7.899 -12.344 -4.039 396 HE ARG 49 HE ARG 49 -6.880 -9.635 -4.109 397 HH11 ARG 49 1HH1 ARG 49 -9.577 -11.690 -5.091 398 HH12 ARG 49 2HH1 ARG 49 -10.677 -10.360 -5.244 399 HH21 ARG 49 1HH2 ARG 49 -8.312 -7.909 -4.386 400 HH22 ARG 49 2HH2 ARG 49 -9.955 -8.214 -4.843 401 H ASP 50 H ASP 50 -2.263 -9.481 -1.740 402 HA ASP 50 HA ASP 50 -3.432 -10.496 0.797 403 HB2 ASP 50 2HB ASP 50 -0.931 -10.474 0.701 404 HB3 ASP 50 3HB ASP 50 -0.978 -8.764 0.305 405 H GLU 51 H GLU 51 -5.200 -9.307 1.246 406 HA GLU 51 HA GLU 51 -5.479 -6.550 0.278 407 HB2 GLU 51 2HB GLU 51 -7.365 -8.084 -0.134 408 HB3 GLU 51 3HB GLU 51 -7.501 -8.409 1.590 409 HG2 GLU 51 2HG GLU 51 -7.890 -5.811 1.797 410 HG3 GLU 51 3HG GLU 51 -8.232 -5.900 0.070 411 H ILE 52 H ILE 52 -5.425 -4.835 1.611 412 HA ILE 52 HA ILE 52 -5.346 -5.180 4.554 413 HB ILE 52 HB ILE 52 -3.546 -3.202 3.053 414 HG12 ILE 52 2HG1 ILE 52 -2.490 -5.856 4.119 415 HG13 ILE 52 3HG1 ILE 52 -3.029 -5.681 2.456 416 HG21 ILE 52 1HG2 ILE 52 -3.976 -2.706 5.421 417 HG22 ILE 52 2HG2 ILE 52 -2.284 -3.143 5.180 418 HG23 ILE 52 3HG2 ILE 52 -3.406 -4.313 5.879 419 HD11 ILE 52 1HD1 ILE 52 -1.346 -4.006 2.037 420 HD12 ILE 52 2HD1 ILE 52 -0.617 -5.478 2.675 421 HD13 ILE 52 3HD1 ILE 52 -0.818 -4.072 3.721 422 H ARG 53 H ARG 53 -7.297 -4.197 5.012 423 HA ARG 53 HA ARG 53 -8.002 -1.646 3.685 424 HB2 ARG 53 2HB ARG 53 -9.642 -3.838 4.991 425 HB3 ARG 53 3HB ARG 53 -10.294 -2.204 4.955 426 HG2 ARG 53 2HG ARG 53 -10.145 -2.169 2.510 427 HG3 ARG 53 3HG ARG 53 -9.439 -3.784 2.512 428 HD2 ARG 53 2HD ARG 53 -12.192 -3.166 3.632 429 HD3 ARG 53 3HD ARG 53 -11.917 -3.666 1.960 430 HE ARG 53 HE ARG 53 -10.667 -5.594 3.370 431 HH11 ARG 53 1HH1 ARG 53 -13.956 -4.336 3.621 432 HH12 ARG 53 2HH1 ARG 53 -14.599 -5.853 4.162 433 HH21 ARG 53 1HH2 ARG 53 -11.544 -7.555 3.950 434 HH22 ARG 53 2HH2 ARG 53 -13.229 -7.680 4.346 435 H VAL 54 H VAL 54 -7.829 0.196 4.798 436 HA VAL 54 HA VAL 54 -7.904 0.184 7.743 437 HB VAL 54 HB VAL 54 -5.481 0.104 6.869 438 HG11 VAL 54 1HG1 VAL 54 -5.676 1.566 4.932 439 HG12 VAL 54 2HG1 VAL 54 -4.440 2.154 6.045 440 HG13 VAL 54 3HG1 VAL 54 -6.016 2.945 5.983 441 HG21 VAL 54 1HG2 VAL 54 -6.262 2.443 8.627 442 HG22 VAL 54 2HG2 VAL 54 -4.655 1.715 8.535 443 HG23 VAL 54 3HG2 VAL 54 -6.015 0.776 9.151 444 H ARG 55 H ARG 55 -8.727 2.104 8.635 445 HA ARG 55 HA ARG 55 -9.573 4.256 6.773 446 HB2 ARG 55 2HB ARG 55 -11.199 3.075 9.069 447 HB3 ARG 55 3HB ARG 55 -11.618 4.563 8.225 448 HG2 ARG 55 2HG ARG 55 -11.748 3.198 6.096 449 HG3 ARG 55 3HG ARG 55 -11.577 1.759 7.101 450 HD2 ARG 55 2HD ARG 55 -13.956 2.285 6.551 451 HD3 ARG 55 3HD ARG 55 -13.638 2.285 8.289 452 HE ARG 55 HE ARG 55 -14.043 4.546 8.367 453 HH11 ARG 55 1HH1 ARG 55 -13.907 3.612 4.958 454 HH12 ARG 55 2HH1 ARG 55 -14.504 5.145 4.413 455 HH21 ARG 55 1HH2 ARG 55 -14.767 6.540 7.602 456 HH22 ARG 55 2HH2 ARG 55 -14.986 6.799 5.899 457 H ASN 56 H ASN 56 -9.259 6.301 7.474 458 HA ASN 56 HA ASN 56 -8.614 8.099 8.667 459 HB2 ASN 56 2HB ASN 56 -9.908 6.635 10.997 460 HB3 ASN 56 3HB ASN 56 -9.644 8.366 10.881 461 HD21 ASN 56 1HD2 ASN 56 -10.499 8.569 8.094 462 HD22 ASN 56 2HD2 ASN 56 -12.208 8.367 8.096 463 H ILE 57 H ILE 57 -6.355 7.596 8.399 464 HA ILE 57 HA ILE 57 -4.927 6.960 10.878 465 HB ILE 57 HB ILE 57 -3.307 5.492 9.348 466 HG12 ILE 57 2HG1 ILE 57 -4.737 4.015 7.770 467 HG13 ILE 57 3HG1 ILE 57 -5.951 5.285 7.816 468 HG21 ILE 57 1HG2 ILE 57 -4.456 3.461 10.101 469 HG22 ILE 57 2HG2 ILE 57 -5.918 4.393 10.436 470 HG23 ILE 57 3HG2 ILE 57 -4.443 4.695 11.361 471 HD11 ILE 57 1HD1 ILE 57 -3.128 5.588 6.818 472 HD12 ILE 57 2HD1 ILE 57 -4.397 6.815 6.750 473 HD13 ILE 57 3HD1 ILE 57 -4.548 5.325 5.813 474 H SER 58 H SER 58 -2.852 7.803 11.041 475 HA SER 58 HA SER 58 -2.364 10.161 9.362 476 HB2 SER 58 2HB SER 58 -1.172 9.301 12.031 477 HB3 SER 58 3HB SER 58 -0.909 10.862 11.250 478 HG SER 58 HG SER 58 -2.717 10.420 12.944 479 H LYS 59 H LYS 59 0.272 10.661 9.533 480 HA LYS 59 HA LYS 59 1.412 9.273 7.436 481 HB2 LYS 59 2HB LYS 59 3.569 10.396 8.073 482 HB3 LYS 59 3HB LYS 59 2.193 11.494 8.037 483 HG2 LYS 59 2HG LYS 59 2.028 11.374 10.504 484 HG3 LYS 59 3HG LYS 59 3.419 10.286 10.539 485 HD2 LYS 59 2HD LYS 59 4.851 12.073 9.613 486 HD3 LYS 59 3HD LYS 59 3.461 13.157 9.519 487 HE2 LYS 59 2HE LYS 59 3.231 13.072 11.976 488 HE3 LYS 59 3HE LYS 59 4.616 11.982 12.070 489 HZ1 LYS 59 1HZ LYS 59 4.678 14.776 11.054 490 HZ2 LYS 59 2HZ LYS 59 6.005 13.737 11.144 491 HZ3 LYS 59 3HZ LYS 59 5.246 14.258 12.560 492 H GLU 60 H GLU 60 2.061 8.761 10.928 493 HA GLU 60 HA GLU 60 4.095 6.781 10.549 494 HB2 GLU 60 2HB GLU 60 3.982 6.505 13.005 495 HB3 GLU 60 3HB GLU 60 4.038 8.207 12.553 496 HG2 GLU 60 2HG GLU 60 1.563 8.341 12.869 497 HG3 GLU 60 3HG GLU 60 1.569 6.665 13.416 498 H GLU 61 H GLU 61 0.660 6.694 10.675 499 HA GLU 61 HA GLU 61 0.411 3.925 11.513 500 HB2 GLU 61 2HB GLU 61 -1.668 5.941 10.568 501 HB3 GLU 61 3HB GLU 61 -2.032 4.360 11.256 502 HG2 GLU 61 2HG GLU 61 -0.594 6.603 12.714 503 HG3 GLU 61 3HG GLU 61 -2.308 6.228 12.874 504 H LEU 62 H LEU 62 -0.039 5.812 8.514 505 HA LEU 62 HA LEU 62 -0.779 3.573 6.905 506 HB2 LEU 62 2HB LEU 62 -0.468 5.078 4.966 507 HB3 LEU 62 3HB LEU 62 -1.487 5.753 6.213 508 HG LEU 62 HG LEU 62 0.730 7.027 6.951 509 HD11 LEU 62 1HD1 LEU 62 2.186 7.651 5.072 510 HD12 LEU 62 2HD1 LEU 62 1.350 6.493 4.033 511 HD13 LEU 62 3HD1 LEU 62 2.277 5.926 5.422 512 HD21 LEU 62 1HD2 LEU 62 0.122 8.942 5.540 513 HD22 LEU 62 2HD2 LEU 62 -1.305 8.163 6.215 514 HD23 LEU 62 3HD2 LEU 62 -0.874 7.895 4.525 515 H LYS 63 H LYS 63 2.252 4.818 8.026 516 HA LYS 63 HA LYS 63 4.087 3.631 6.314 517 HB2 LYS 63 2HB LYS 63 4.157 4.067 9.313 518 HB3 LYS 63 3HB LYS 63 5.520 3.347 8.471 519 HG2 LYS 63 2HG LYS 63 4.378 6.088 7.863 520 HG3 LYS 63 3HG LYS 63 5.769 5.789 8.902 521 HD2 LYS 63 2HD LYS 63 5.552 5.232 5.923 522 HD3 LYS 63 3HD LYS 63 6.549 6.457 6.711 523 HE2 LYS 63 2HE LYS 63 6.894 3.446 6.903 524 HE3 LYS 63 3HE LYS 63 7.943 4.582 6.059 525 HZ1 LYS 63 1HZ LYS 63 8.814 3.876 8.227 526 HZ2 LYS 63 2HZ LYS 63 7.491 4.592 8.999 527 HZ3 LYS 63 3HZ LYS 63 8.589 5.547 8.135 528 H LYS 64 H LYS 64 1.998 2.103 8.714 529 HA LYS 64 HA LYS 64 3.268 -0.420 8.837 530 HB2 LYS 64 2HB LYS 64 0.340 0.309 9.235 531 HB3 LYS 64 3HB LYS 64 1.030 -1.259 9.629 532 HG2 LYS 64 2HG LYS 64 1.723 1.391 10.939 533 HG3 LYS 64 3HG LYS 64 0.762 0.091 11.642 534 HD2 LYS 64 2HD LYS 64 3.733 0.021 10.993 535 HD3 LYS 64 3HD LYS 64 2.994 0.045 12.592 536 HE2 LYS 64 2HE LYS 64 2.866 -2.226 10.577 537 HE3 LYS 64 3HE LYS 64 3.769 -2.205 12.087 538 HZ1 LYS 64 1HZ LYS 64 1.688 -2.111 13.297 539 HZ2 LYS 64 2HZ LYS 64 1.729 -3.459 12.285 540 HZ3 LYS 64 3HZ LYS 64 0.813 -2.112 11.851 541 H LEU 65 H LEU 65 0.989 0.987 6.519 542 HA LEU 65 HA LEU 65 0.225 -1.353 5.097 543 HB2 LEU 65 2HB LEU 65 0.519 1.477 3.989 544 HB3 LEU 65 3HB LEU 65 -0.460 0.192 3.297 545 HG LEU 65 HG LEU 65 -0.984 1.583 5.956 546 HD11 LEU 65 1HD1 LEU 65 -2.918 2.598 4.859 547 HD12 LEU 65 2HD1 LEU 65 -2.487 1.824 3.330 548 HD13 LEU 65 3HD1 LEU 65 -1.424 3.045 4.036 549 HD21 LEU 65 1HD2 LEU 65 -2.644 -0.521 4.533 550 HD22 LEU 65 2HD2 LEU 65 -3.108 0.355 5.997 551 HD23 LEU 65 3HD2 LEU 65 -1.732 -0.741 6.030 552 H LEU 66 H LEU 66 2.920 0.889 4.811 553 HA LEU 66 HA LEU 66 4.187 -0.135 2.487 554 HB2 LEU 66 2HB LEU 66 5.273 1.420 4.863 555 HB3 LEU 66 3HB LEU 66 6.278 0.965 3.505 556 HG LEU 66 HG LEU 66 5.007 2.415 1.999 557 HD11 LEU 66 1HD1 LEU 66 2.779 2.279 2.966 558 HD12 LEU 66 2HD1 LEU 66 3.286 3.955 2.763 559 HD13 LEU 66 3HD1 LEU 66 3.313 3.210 4.366 560 HD21 LEU 66 1HD2 LEU 66 5.830 3.871 4.522 561 HD22 LEU 66 2HD2 LEU 66 5.657 4.583 2.918 562 HD23 LEU 66 3HD2 LEU 66 6.901 3.376 3.209 563 H GLU 67 H GLU 67 4.612 -0.768 5.956 564 HA GLU 67 HA GLU 67 6.794 -2.598 5.696 565 HB2 GLU 67 2HB GLU 67 4.921 -2.050 8.035 566 HB3 GLU 67 3HB GLU 67 6.395 -3.021 8.131 567 HG2 GLU 67 2HG GLU 67 7.753 -1.065 7.500 568 HG3 GLU 67 3HG GLU 67 6.288 -0.098 7.330 569 H ARG 68 H ARG 68 3.326 -2.978 5.590 570 HA ARG 68 HA ARG 68 3.095 -5.769 6.003 571 HB2 ARG 68 2HB ARG 68 1.464 -3.721 4.455 572 HB3 ARG 68 3HB ARG 68 1.016 -5.421 4.422 573 HG2 ARG 68 2HG ARG 68 1.285 -3.852 7.003 574 HG3 ARG 68 3HG ARG 68 -0.222 -3.968 6.089 575 HD2 ARG 68 2HD ARG 68 1.328 -6.299 7.273 576 HD3 ARG 68 3HD ARG 68 -0.178 -5.611 7.893 577 HE ARG 68 HE ARG 68 -0.219 -6.597 5.138 578 HH11 ARG 68 1HH1 ARG 68 -1.045 -7.259 8.491 579 HH12 ARG 68 2HH1 ARG 68 -2.185 -8.493 8.077 580 HH21 ARG 68 1HH2 ARG 68 -1.700 -8.211 4.627 581 HH22 ARG 68 2HH2 ARG 68 -2.554 -9.031 5.894 582 H ILE 69 H ILE 69 3.748 -3.827 3.122 583 HA ILE 69 HA ILE 69 3.795 -5.894 1.181 584 HB ILE 69 HB ILE 69 5.310 -3.236 1.118 585 HG12 ILE 69 2HG1 ILE 69 2.511 -3.779 0.024 586 HG13 ILE 69 3HG1 ILE 69 2.830 -2.985 1.561 587 HG21 ILE 69 1HG2 ILE 69 5.198 -3.443 -1.356 588 HG22 ILE 69 2HG2 ILE 69 4.436 -5.025 -1.180 589 HG23 ILE 69 3HG2 ILE 69 6.091 -4.780 -0.625 590 HD11 ILE 69 1HD1 ILE 69 3.655 -1.955 -1.150 591 HD12 ILE 69 2HD1 ILE 69 3.966 -1.170 0.402 592 HD13 ILE 69 3HD1 ILE 69 2.311 -1.380 -0.164 593 H ARG 70 H ARG 70 6.287 -4.385 3.246 594 HA ARG 70 HA ARG 70 8.545 -5.587 2.083 595 HB2 ARG 70 2HB ARG 70 9.825 -4.575 3.688 596 HB3 ARG 70 3HB ARG 70 8.366 -3.630 3.910 597 HG2 ARG 70 2HG ARG 70 7.805 -4.863 5.924 598 HG3 ARG 70 3HG ARG 70 9.096 -6.029 5.627 599 HD2 ARG 70 2HD ARG 70 9.761 -4.448 7.360 600 HD3 ARG 70 3HD ARG 70 10.774 -4.256 5.929 601 HE ARG 70 HE ARG 70 8.479 -2.467 6.417 602 HH11 ARG 70 1HH1 ARG 70 11.941 -2.858 5.955 603 HH12 ARG 70 2HH1 ARG 70 12.237 -1.159 5.819 604 HH21 ARG 70 1HH2 ARG 70 8.869 -0.254 6.225 605 HH22 ARG 70 2HH2 ARG 70 10.477 0.326 5.972 606 H GLU 71 H GLU 71 6.386 -6.661 4.663 607 HA GLU 71 HA GLU 71 7.778 -8.909 5.588 608 HB2 GLU 71 2HB GLU 71 4.778 -8.389 5.434 609 HB3 GLU 71 3HB GLU 71 5.491 -9.746 6.308 610 HG2 GLU 71 2HG GLU 71 6.688 -8.179 7.782 611 HG3 GLU 71 3HG GLU 71 6.008 -6.821 6.900 612 H LYS 72 H LYS 72 5.795 -8.432 2.728 613 HA LYS 72 HA LYS 72 5.478 -11.279 2.220 614 HB2 LYS 72 2HB LYS 72 4.562 -8.947 0.483 615 HB3 LYS 72 3HB LYS 72 4.077 -10.629 0.319 616 HG2 LYS 72 2HG LYS 72 3.202 -8.588 2.342 617 HG3 LYS 72 3HG LYS 72 2.229 -9.720 1.401 618 HD2 LYS 72 2HD LYS 72 3.221 -11.591 2.841 619 HD3 LYS 72 3HD LYS 72 3.933 -10.325 3.846 620 HE2 LYS 72 2HE LYS 72 1.927 -10.986 4.936 621 HE3 LYS 72 3HE LYS 72 1.563 -9.435 4.171 622 HZ1 LYS 72 1HZ LYS 72 0.844 -12.127 3.149 623 HZ2 LYS 72 2HZ LYS 72 0.587 -10.688 2.311 624 HZ3 LYS 72 3HZ LYS 72 -0.211 -10.966 3.773 625 H ILE 73 H ILE 73 7.210 -8.528 0.741 626 HA ILE 73 HA ILE 73 8.258 -10.060 -1.442 627 HB ILE 73 HB ILE 73 9.681 -8.149 -1.980 628 HG12 ILE 73 2HG1 ILE 73 8.823 -6.889 0.672 629 HG13 ILE 73 3HG1 ILE 73 10.412 -7.566 0.348 630 HG21 ILE 73 1HG2 ILE 73 7.312 -7.989 -2.622 631 HG22 ILE 73 2HG2 ILE 73 7.973 -6.391 -2.272 632 HG23 ILE 73 3HG2 ILE 73 6.935 -7.193 -1.090 633 HD11 ILE 73 1HD1 ILE 73 10.732 -5.857 -1.424 634 HD12 ILE 73 2HD1 ILE 73 10.534 -5.198 0.194 635 HD13 ILE 73 3HD1 ILE 73 9.193 -5.127 -0.947 636 H GLU 74 H GLU 74 9.287 -9.504 1.852 637 HA GLU 74 HA GLU 74 11.960 -10.598 1.427 638 HB2 GLU 74 2HB GLU 74 10.615 -9.566 3.951 639 HB3 GLU 74 3HB GLU 74 12.270 -10.174 3.882 640 HG2 GLU 74 2HG GLU 74 12.824 -8.388 2.211 641 HG3 GLU 74 3HG GLU 74 11.186 -7.757 2.388 642 H ARG 75 H ARG 75 8.822 -11.745 2.763 643 HA ARG 75 HA ARG 75 9.903 -14.193 3.805 644 HB2 ARG 75 2HB ARG 75 7.648 -15.086 3.922 645 HB3 ARG 75 3HB ARG 75 7.604 -13.406 4.441 646 HG2 ARG 75 2HG ARG 75 6.659 -12.723 2.316 647 HG3 ARG 75 3HG ARG 75 6.815 -14.353 1.672 648 HD2 ARG 75 2HD ARG 75 5.076 -13.669 4.062 649 HD3 ARG 75 3HD ARG 75 4.488 -13.656 2.400 650 HE ARG 75 HE ARG 75 5.492 -16.063 3.817 651 HH11 ARG 75 1HH1 ARG 75 3.416 -14.640 1.338 652 HH12 ARG 75 2HH1 ARG 75 2.670 -16.151 0.921 653 HH21 ARG 75 1HH2 ARG 75 4.519 -18.032 3.243 654 HH22 ARG 75 2HH2 ARG 75 3.304 -18.075 2.013 655 H GLU 76 H GLU 76 8.746 -13.187 0.621 656 HA GLU 76 HA GLU 76 9.185 -15.827 -0.543 657 HB2 GLU 76 2HB GLU 76 7.280 -14.340 -1.262 658 HB3 GLU 76 3HB GLU 76 8.450 -13.207 -1.926 659 HG2 GLU 76 2HG GLU 76 7.532 -14.560 -3.710 660 HG3 GLU 76 3HG GLU 76 9.233 -14.964 -3.490 661 H GLY 77 H GLY 77 10.327 -12.603 -1.620 662 HA2 GLY 77 2HA GLY 77 12.630 -11.985 -1.801 663 HA3 GLY 77 3HA GLY 77 13.068 -13.678 -1.978 664 H SER 78 H SER 78 10.592 -13.888 -3.838 665 HA SER 78 HA SER 78 11.907 -13.705 -6.311 666 HB2 SER 78 2HB SER 78 8.914 -13.874 -5.734 667 HB3 SER 78 3HB SER 78 9.651 -14.141 -7.316 668 HG SER 78 HG SER 78 9.859 -16.117 -6.685 669 H SER 79 H SER 79 11.840 -12.252 -7.948 670 HA SER 79 HA SER 79 11.207 -9.490 -7.442 671 HB2 SER 79 2HB SER 79 12.084 -10.848 -10.026 672 HB3 SER 79 3HB SER 79 12.158 -9.117 -9.674 673 HG SER 79 HG SER 79 13.417 -10.698 -7.801 674 H GLU 80 H GLU 80 9.349 -12.095 -8.351 675 HA GLU 80 HA GLU 80 7.488 -10.867 -10.169 676 HB2 GLU 80 2HB GLU 80 7.474 -13.490 -8.620 677 HB3 GLU 80 3HB GLU 80 6.157 -13.009 -9.678 678 HG2 GLU 80 2HG GLU 80 7.668 -14.612 -10.774 679 HG3 GLU 80 3HG GLU 80 7.638 -13.066 -11.617 680 H VAL 81 H VAL 81 7.123 -8.965 -8.849 681 HA VAL 81 HA VAL 81 4.912 -9.295 -6.952 682 HB VAL 81 HB VAL 81 6.794 -9.067 -5.460 683 HG11 VAL 81 1HG1 VAL 81 8.401 -7.215 -5.501 684 HG12 VAL 81 2HG1 VAL 81 7.648 -6.578 -6.966 685 HG13 VAL 81 3HG1 VAL 81 8.461 -8.144 -7.003 686 HG21 VAL 81 1HG2 VAL 81 4.792 -7.821 -4.777 687 HG22 VAL 81 2HG2 VAL 81 5.365 -6.384 -5.626 688 HG23 VAL 81 3HG2 VAL 81 6.248 -6.992 -4.224 689 H GLU 82 H GLU 82 3.330 -7.970 -7.300 690 HA GLU 82 HA GLU 82 3.646 -5.369 -8.655 691 HB2 GLU 82 2HB GLU 82 2.534 -6.927 -10.198 692 HB3 GLU 82 3HB GLU 82 1.397 -7.418 -8.944 693 HG2 GLU 82 2HG GLU 82 0.539 -5.036 -8.903 694 HG3 GLU 82 3HG GLU 82 1.567 -4.700 -10.296 695 H VAL 83 H VAL 83 3.000 -3.763 -7.286 696 HA VAL 83 HA VAL 83 1.435 -4.430 -4.876 697 HB VAL 83 HB VAL 83 2.955 -1.857 -5.519 698 HG11 VAL 83 1HG1 VAL 83 2.699 -1.384 -3.103 699 HG12 VAL 83 2HG1 VAL 83 1.747 -2.860 -2.918 700 HG13 VAL 83 3HG1 VAL 83 1.136 -1.532 -3.909 701 HG21 VAL 83 1HG2 VAL 83 4.703 -2.659 -3.960 702 HG22 VAL 83 2HG2 VAL 83 4.534 -3.747 -5.341 703 HG23 VAL 83 3HG2 VAL 83 3.844 -4.194 -3.780 704 H ASN 84 H ASN 84 -0.677 -3.983 -4.919 705 HA ASN 84 HA ASN 84 -1.778 -2.011 -6.828 706 HB2 ASN 84 2HB ASN 84 -3.184 -4.259 -5.319 707 HB3 ASN 84 3HB ASN 84 -3.994 -3.106 -6.368 708 HD21 ASN 84 1HD2 ASN 84 -0.919 -4.883 -6.914 709 HD22 ASN 84 2HD2 ASN 84 -1.488 -5.714 -8.307 710 H VAL 85 H VAL 85 -3.031 -0.325 -6.074 711 HA VAL 85 HA VAL 85 -3.758 -0.195 -3.208 712 HB VAL 85 HB VAL 85 -2.900 2.251 -4.850 713 HG11 VAL 85 1HG1 VAL 85 -3.003 3.472 -2.699 714 HG12 VAL 85 2HG1 VAL 85 -3.567 2.007 -1.891 715 HG13 VAL 85 3HG1 VAL 85 -4.571 2.776 -3.122 716 HG21 VAL 85 1HG2 VAL 85 -0.916 0.879 -4.384 717 HG22 VAL 85 2HG2 VAL 85 -1.317 0.853 -2.666 718 HG23 VAL 85 3HG2 VAL 85 -0.876 2.374 -3.445 719 H HIS 86 H HIS 86 -5.861 0.653 -2.892 720 HA HIS 86 HA HIS 86 -7.488 1.340 -5.261 721 HB2 HIS 86 2HB HIS 86 -8.482 -0.576 -3.101 722 HB3 HIS 86 3HB HIS 86 -9.271 -0.181 -4.615 723 HD1 HIS 86 HD1 HIS 86 -8.763 -1.689 -6.598 724 HD2 HIS 86 HD2 HIS 86 -6.272 -2.435 -3.350 725 HE1 HIS 86 HE1 HIS 86 -7.576 -3.840 -7.120 726 HE2 HIS 86 HE2 HIS 86 -6.329 -4.401 -5.020 727 H SER 87 H SER 87 -8.668 3.169 -4.794 728 HA SER 87 HA SER 87 -10.018 3.449 -2.250 729 HB2 SER 87 2HB SER 87 -9.134 5.742 -1.755 730 HB3 SER 87 3HB SER 87 -7.884 4.507 -1.641 731 HG SER 87 HG SER 87 -6.826 5.584 -3.076 732 H GLY 88 H GLY 88 -11.910 4.548 -2.485 733 HA2 GLY 88 2HA GLY 88 -13.646 5.687 -3.435 734 HA3 GLY 88 3HA GLY 88 -12.491 6.495 -4.482 735 H GLY 89 H GLY 89 -12.041 5.614 -6.524 736 HA2 GLY 89 2HA GLY 89 -13.227 3.046 -7.358 737 HA3 GLY 89 3HA GLY 89 -13.675 4.491 -8.266 738 H GLN 90 H GLN 90 -10.559 4.744 -7.030 739 HA GLN 90 HA GLN 90 -9.354 4.274 -9.676 740 HB2 GLN 90 2HB GLN 90 -8.275 5.777 -7.240 741 HB3 GLN 90 3HB GLN 90 -7.423 5.596 -8.767 742 HG2 GLN 90 2HG GLN 90 -8.304 7.800 -8.730 743 HG3 GLN 90 3HG GLN 90 -9.286 6.887 -9.868 744 HE21 GLN 90 1HE2 GLN 90 -9.208 8.372 -6.695 745 HE22 GLN 90 2HE2 GLN 90 -10.919 8.437 -6.466 746 H THR 91 H THR 91 -7.559 2.936 -9.912 747 HA THR 91 HA THR 91 -6.486 1.497 -7.582 748 HB THR 91 HB THR 91 -7.452 0.150 -10.142 749 HG1 THR 91 HG1 THR 91 -8.902 0.710 -8.228 750 HG21 THR 91 1HG2 THR 91 -6.693 -1.987 -9.110 751 HG22 THR 91 2HG2 THR 91 -5.959 -1.081 -7.786 752 HG23 THR 91 3HG2 THR 91 -5.328 -0.907 -9.425 753 H TRP 92 H TRP 92 -4.387 1.688 -7.556 754 HA TRP 92 HA TRP 92 -2.816 2.322 -9.969 755 HB2 TRP 92 2HB TRP 92 -2.107 2.590 -7.004 756 HB3 TRP 92 3HB TRP 92 -1.111 3.130 -8.355 757 HD1 TRP 92 HD1 TRP 92 -1.750 5.464 -9.496 758 HE1 TRP 92 HE1 TRP 92 -3.355 7.358 -8.829 759 HE3 TRP 92 HE3 TRP 92 -4.457 3.041 -5.886 760 HZ2 TRP 92 HZ2 TRP 92 -5.464 7.785 -7.019 761 HZ3 TRP 92 HZ3 TRP 92 -6.248 4.264 -4.729 762 HH2 TRP 92 HH2 TRP 92 -6.744 6.595 -5.289 763 H THR 93 H THR 93 -1.055 1.009 -10.517 764 HA THR 93 HA THR 93 -0.444 -1.348 -8.827 765 HB THR 93 HB THR 93 -0.030 -2.609 -11.067 766 HG1 THR 93 HG1 THR 93 -0.434 -0.474 -12.228 767 HG21 THR 93 1HG2 THR 93 -1.904 -3.209 -9.568 768 HG22 THR 93 2HG2 THR 93 -2.375 -3.350 -11.263 769 HG23 THR 93 3HG2 THR 93 -2.908 -1.960 -10.314 770 H PHE 94 H PHE 94 1.680 -1.839 -8.663 771 HA PHE 94 HA PHE 94 3.688 -0.270 -10.178 772 HB2 PHE 94 2HB PHE 94 3.948 -1.281 -7.293 773 HB3 PHE 94 3HB PHE 94 5.102 -0.274 -8.156 774 HD1 PHE 94 HD1 PHE 94 1.807 -0.311 -6.454 775 HD2 PHE 94 HD2 PHE 94 4.777 2.146 -8.307 776 HE1 PHE 94 HE1 PHE 94 0.734 1.689 -5.517 777 HE2 PHE 94 HE2 PHE 94 3.700 4.142 -7.354 778 HZ PHE 94 HZ PHE 94 1.683 3.915 -5.962 779 H ASN 95 H ASN 95 4.404 -1.762 -11.638 780 HA ASN 95 HA ASN 95 4.767 -4.581 -10.824 781 HB2 ASN 95 2HB ASN 95 4.594 -3.307 -13.593 782 HB3 ASN 95 3HB ASN 95 5.013 -4.993 -13.323 783 HD21 ASN 95 1HD2 ASN 95 2.469 -2.876 -11.931 784 HD22 ASN 95 2HD2 ASN 95 1.172 -3.936 -12.346 785 H GLU 96 H GLU 96 6.776 -5.340 -10.491 786 HA GLU 96 HA GLU 96 9.166 -3.913 -11.201 787 HB2 GLU 96 2HB GLU 96 8.651 -6.730 -10.164 788 HB3 GLU 96 3HB GLU 96 10.272 -6.156 -10.543 789 HG2 GLU 96 2HG GLU 96 8.394 -4.952 -8.488 790 HG3 GLU 96 3HG GLU 96 9.785 -5.988 -8.144 791 H LYS 97 H LYS 97 10.271 -4.027 -13.043 792 HA LYS 97 HA LYS 97 9.863 -6.207 -14.963 793 HB2 LYS 97 2HB LYS 97 9.909 -4.382 -16.827 794 HB3 LYS 97 3HB LYS 97 8.414 -4.659 -15.956 795 HG2 LYS 97 2HG LYS 97 8.621 -2.305 -16.256 796 HG3 LYS 97 3HG LYS 97 8.920 -2.629 -14.550 797 HD2 LYS 97 2HD LYS 97 10.476 -0.929 -15.431 798 HD3 LYS 97 3HD LYS 97 11.347 -2.370 -14.916 799 HE2 LYS 97 2HE LYS 97 11.483 -3.098 -17.300 800 HE3 LYS 97 3HE LYS 97 10.658 -1.614 -17.782 801 HZ1 LYS 97 1HZ LYS 97 13.008 -1.337 -18.053 802 HZ2 LYS 97 2HZ LYS 97 13.318 -1.811 -16.470 803 HZ3 LYS 97 3HZ LYS 97 12.514 -0.363 -16.772 Start of MODEL 9 1 H1 MET 1 1H MET 1 13.917 -23.557 -36.496 2 H2 MET 1 2H MET 1 13.576 -24.004 -34.907 3 H3 MET 1 3H MET 1 14.665 -24.914 -35.825 4 HA MET 1 HA MET 1 15.822 -23.523 -34.238 5 HB2 MET 1 2HB MET 1 16.187 -22.538 -37.109 6 HB3 MET 1 3HB MET 1 17.370 -22.376 -35.815 7 HG2 MET 1 2HG MET 1 18.020 -24.179 -37.286 8 HG3 MET 1 3HG MET 1 17.555 -24.854 -35.723 9 HE1 MET 1 1HE MET 1 17.449 -27.296 -36.961 10 HE2 MET 1 2HE MET 1 17.865 -26.525 -38.491 11 HE3 MET 1 3HE MET 1 16.463 -27.590 -38.392 12 H GLY 2 H GLY 2 16.459 -21.270 -33.664 13 HA2 GLY 2 2HA GLY 2 15.335 -18.888 -34.388 14 HA3 GLY 2 3HA GLY 2 14.099 -19.613 -33.357 15 H HIS 3 H HIS 3 14.400 -17.909 -31.795 16 HA HIS 3 HA HIS 3 16.854 -17.613 -30.363 17 HB2 HIS 3 2HB HIS 3 15.531 -16.416 -28.653 18 HB3 HIS 3 3HB HIS 3 15.135 -15.845 -30.267 19 HD1 HIS 3 HD1 HIS 3 12.691 -15.769 -30.839 20 HD2 HIS 3 HD2 HIS 3 13.428 -18.188 -27.534 21 HE1 HIS 3 HE1 HIS 3 10.436 -16.401 -29.935 22 HE2 HIS 3 HE2 HIS 3 10.906 -17.817 -27.915 23 H HIS 4 H HIS 4 17.431 -18.502 -28.334 24 HA HIS 4 HA HIS 4 15.858 -20.826 -27.363 25 HB2 HIS 4 2HB HIS 4 18.903 -20.696 -27.651 26 HB3 HIS 4 3HB HIS 4 17.998 -22.025 -26.929 27 HD1 HIS 4 HD1 HIS 4 19.479 -21.014 -30.032 28 HD2 HIS 4 HD2 HIS 4 16.129 -23.234 -28.972 29 HE1 HIS 4 HE1 HIS 4 18.881 -22.348 -32.074 30 HE2 HIS 4 HE2 HIS 4 16.958 -23.788 -31.351 31 H HIS 5 H HIS 5 15.197 -20.302 -25.356 32 HA HIS 5 HA HIS 5 16.398 -18.393 -23.661 33 HB2 HIS 5 2HB HIS 5 14.013 -19.247 -23.430 34 HB3 HIS 5 3HB HIS 5 14.667 -20.746 -22.767 35 HD1 HIS 5 HD1 HIS 5 13.705 -17.330 -21.841 36 HD2 HIS 5 HD2 HIS 5 16.051 -20.339 -20.193 37 HE1 HIS 5 HE1 HIS 5 14.078 -16.668 -19.455 38 HE2 HIS 5 HE2 HIS 5 15.426 -18.540 -18.464 39 H HIS 6 H HIS 6 18.460 -18.609 -23.113 40 HA HIS 6 HA HIS 6 19.721 -21.200 -22.731 41 HB2 HIS 6 2HB HIS 6 20.817 -18.362 -22.630 42 HB3 HIS 6 3HB HIS 6 21.812 -19.795 -22.376 43 HD1 HIS 6 HD1 HIS 6 21.673 -17.541 -24.852 44 HD2 HIS 6 HD2 HIS 6 20.779 -21.603 -24.894 45 HE1 HIS 6 HE1 HIS 6 21.865 -18.254 -27.258 46 HE2 HIS 6 HE2 HIS 6 21.273 -20.700 -27.260 47 H HIS 7 H HIS 7 20.803 -21.831 -20.876 48 HA HIS 7 HA HIS 7 19.546 -21.250 -18.382 49 HB2 HIS 7 2HB HIS 7 20.459 -23.515 -19.037 50 HB3 HIS 7 3HB HIS 7 22.088 -22.859 -18.904 51 HD1 HIS 7 HD1 HIS 7 19.503 -24.523 -16.991 52 HD2 HIS 7 HD2 HIS 7 22.690 -22.005 -16.110 53 HE1 HIS 7 HE1 HIS 7 19.936 -24.814 -14.540 54 HE2 HIS 7 HE2 HIS 7 21.929 -23.361 -14.059 55 H HIS 8 H HIS 8 19.895 -19.045 -18.037 56 HA HIS 8 HA HIS 8 22.442 -17.838 -17.736 57 HB2 HIS 8 2HB HIS 8 21.225 -16.091 -16.393 58 HB3 HIS 8 3HB HIS 8 20.494 -16.406 -17.957 59 HD1 HIS 8 HD1 HIS 8 18.077 -17.084 -17.989 60 HD2 HIS 8 HD2 HIS 8 19.687 -17.145 -14.155 61 HE1 HIS 8 HE1 HIS 8 16.132 -17.412 -16.438 62 HE2 HIS 8 HE2 HIS 8 17.148 -17.611 -14.151 63 H GLU 9 H GLU 9 23.739 -17.580 -15.920 64 HA GLU 9 HA GLU 9 23.644 -19.632 -13.922 65 HB2 GLU 9 2HB GLU 9 25.403 -17.144 -14.043 66 HB3 GLU 9 3HB GLU 9 25.666 -18.527 -12.988 67 HG2 GLU 9 2HG GLU 9 25.876 -18.472 -16.010 68 HG3 GLU 9 3HG GLU 9 27.192 -18.648 -14.857 69 H ASN 10 H ASN 10 23.429 -19.321 -11.660 70 HA ASN 10 HA ASN 10 21.968 -16.891 -10.790 71 HB2 ASN 10 2HB ASN 10 21.298 -19.785 -10.036 72 HB3 ASN 10 3HB ASN 10 20.560 -18.350 -9.320 73 HD21 ASN 10 1HD2 ASN 10 19.067 -17.153 -10.547 74 HD22 ASN 10 2HD2 ASN 10 18.349 -17.792 -11.987 75 H LEU 11 H LEU 11 23.658 -15.950 -9.695 76 HA LEU 11 HA LEU 11 25.213 -17.319 -7.696 77 HB2 LEU 11 2HB LEU 11 24.661 -14.321 -7.864 78 HB3 LEU 11 3HB LEU 11 25.963 -15.105 -6.986 79 HG LEU 11 HG LEU 11 25.691 -14.843 -9.997 80 HD11 LEU 11 1HD1 LEU 11 27.734 -13.501 -9.855 81 HD12 LEU 11 2HD1 LEU 11 27.748 -13.677 -8.098 82 HD13 LEU 11 3HD1 LEU 11 26.434 -12.802 -8.890 83 HD21 LEU 11 1HD2 LEU 11 27.848 -16.342 -8.481 84 HD22 LEU 11 2HD2 LEU 11 27.847 -15.997 -10.212 85 HD23 LEU 11 3HD2 LEU 11 26.612 -17.049 -9.527 86 H TYR 12 H TYR 12 25.062 -16.226 -5.351 87 HA TYR 12 HA TYR 12 22.687 -17.080 -4.138 88 HB2 TYR 12 2HB TYR 12 24.941 -15.281 -3.151 89 HB3 TYR 12 3HB TYR 12 23.590 -15.742 -2.119 90 HD1 TYR 12 HD1 TYR 12 26.364 -17.220 -4.183 91 HD2 TYR 12 HD2 TYR 12 23.658 -17.784 -0.926 92 HE1 TYR 12 HE1 TYR 12 27.516 -19.311 -3.592 93 HE2 TYR 12 HE2 TYR 12 24.807 -19.872 -0.339 94 HH TYR 12 HH TYR 12 26.226 -21.551 -1.348 95 H PHE 13 H PHE 13 23.858 -13.731 -4.669 96 HA PHE 13 HA PHE 13 22.884 -11.686 -4.505 97 HB2 PHE 13 2HB PHE 13 20.505 -13.160 -5.739 98 HB3 PHE 13 3HB PHE 13 20.682 -11.411 -5.675 99 HD1 PHE 13 HD1 PHE 13 23.125 -10.604 -6.658 100 HD2 PHE 13 HD2 PHE 13 20.968 -14.103 -7.839 101 HE1 PHE 13 HE1 PHE 13 24.295 -10.608 -8.826 102 HE2 PHE 13 HE2 PHE 13 22.141 -14.096 -9.999 103 HZ PHE 13 HZ PHE 13 23.801 -12.348 -10.498 104 H GLN 14 H GLN 14 22.715 -13.385 -2.170 105 HA GLN 14 HA GLN 14 20.059 -13.478 -1.136 106 HB2 GLN 14 2HB GLN 14 21.742 -15.213 -0.588 107 HB3 GLN 14 3HB GLN 14 22.700 -14.020 0.282 108 HG2 GLN 14 2HG GLN 14 20.918 -13.747 1.944 109 HG3 GLN 14 3HG GLN 14 19.874 -14.838 1.033 110 HE21 GLN 14 1HE2 GLN 14 19.658 -16.164 2.873 111 HE22 GLN 14 2HE2 GLN 14 20.933 -17.219 3.375 112 H SER 15 H SER 15 19.230 -11.496 -0.965 113 HA SER 15 HA SER 15 20.028 -9.823 1.312 114 HB2 SER 15 2HB SER 15 19.489 -8.727 -1.504 115 HB3 SER 15 3HB SER 15 19.686 -7.743 -0.052 116 HG SER 15 HG SER 15 21.604 -9.370 -1.344 117 H HIS 16 H HIS 16 18.221 -8.193 1.702 118 HA HIS 16 HA HIS 16 15.668 -9.451 1.835 119 HB2 HIS 16 2HB HIS 16 14.894 -7.393 2.897 120 HB3 HIS 16 3HB HIS 16 16.459 -7.849 3.548 121 HD1 HIS 16 HD1 HIS 16 15.121 -4.947 3.572 122 HD2 HIS 16 HD2 HIS 16 18.197 -6.206 1.079 123 HE1 HIS 16 HE1 HIS 16 16.364 -2.865 2.920 124 HE2 HIS 16 HE2 HIS 16 18.076 -3.635 1.255 125 H MET 17 H MET 17 17.180 -7.324 -0.450 126 HA MET 17 HA MET 17 16.661 -6.474 -2.466 127 HB2 MET 17 2HB MET 17 16.346 -8.976 -2.852 128 HB3 MET 17 3HB MET 17 14.616 -8.744 -2.664 129 HG2 MET 17 2HG MET 17 14.663 -7.202 -4.640 130 HG3 MET 17 3HG MET 17 16.378 -7.572 -4.839 131 HE1 MET 17 1HE MET 17 14.525 -9.450 -7.810 132 HE2 MET 17 2HE MET 17 15.747 -8.241 -7.416 133 HE3 MET 17 3HE MET 17 14.044 -7.919 -7.079 134 H THR 18 H THR 18 15.291 -5.308 -0.226 135 HA THR 18 HA THR 18 12.575 -4.757 -0.911 136 HB THR 18 HB THR 18 14.271 -3.116 1.015 137 HG1 THR 18 HG1 THR 18 12.581 -5.183 1.883 138 HG21 THR 18 1HG2 THR 18 12.099 -2.094 0.452 139 HG22 THR 18 2HG2 THR 18 12.069 -2.707 2.106 140 HG23 THR 18 3HG2 THR 18 11.269 -3.613 0.815 141 H ASP 19 H ASP 19 12.156 -3.750 -2.746 142 HA ASP 19 HA ASP 19 13.785 -1.694 -3.883 143 HB2 ASP 19 2HB ASP 19 12.232 -3.265 -5.168 144 HB3 ASP 19 3HB ASP 19 10.881 -2.292 -4.588 145 H GLU 20 H GLU 20 13.492 0.505 -3.851 146 HA GLU 20 HA GLU 20 12.167 1.559 -1.491 147 HB2 GLU 20 2HB GLU 20 14.002 2.890 -3.522 148 HB3 GLU 20 3HB GLU 20 13.428 3.646 -2.037 149 HG2 GLU 20 2HG GLU 20 14.562 1.838 -0.721 150 HG3 GLU 20 3HG GLU 20 15.206 1.188 -2.225 151 H LEU 21 H LEU 21 10.696 0.748 -4.136 152 HA LEU 21 HA LEU 21 9.181 2.959 -4.935 153 HB2 LEU 21 2HB LEU 21 7.382 1.305 -5.541 154 HB3 LEU 21 3HB LEU 21 8.964 0.936 -6.187 155 HG LEU 21 HG LEU 21 9.188 -0.785 -4.259 156 HD11 LEU 21 1HD1 LEU 21 7.328 -0.097 -2.831 157 HD12 LEU 21 2HD1 LEU 21 7.122 -1.761 -3.365 158 HD13 LEU 21 3HD1 LEU 21 6.174 -0.473 -4.113 159 HD21 LEU 21 1HD2 LEU 21 8.033 -2.537 -5.539 160 HD22 LEU 21 2HD2 LEU 21 8.918 -1.443 -6.597 161 HD23 LEU 21 3HD2 LEU 21 7.163 -1.305 -6.462 162 H LEU 22 H LEU 22 9.189 1.163 -1.950 163 HA LEU 22 HA LEU 22 6.778 1.716 -0.758 164 HB2 LEU 22 2HB LEU 22 9.513 1.861 0.583 165 HB3 LEU 22 3HB LEU 22 7.984 1.753 1.439 166 HG LEU 22 HG LEU 22 9.170 -0.397 -0.356 167 HD11 LEU 22 1HD1 LEU 22 10.364 -0.128 1.769 168 HD12 LEU 22 2HD1 LEU 22 9.500 -1.660 1.712 169 HD13 LEU 22 3HD1 LEU 22 8.853 -0.320 2.665 170 HD21 LEU 22 1HD2 LEU 22 6.587 -0.465 1.257 171 HD22 LEU 22 2HD2 LEU 22 7.306 -1.828 0.394 172 HD23 LEU 22 3HD2 LEU 22 6.722 -0.433 -0.505 173 H GLU 23 H GLU 23 9.586 3.867 -1.057 174 HA GLU 23 HA GLU 23 8.758 6.072 0.436 175 HB2 GLU 23 2HB GLU 23 11.051 5.754 -0.479 176 HB3 GLU 23 3HB GLU 23 10.441 6.007 -2.112 177 HG2 GLU 23 2HG GLU 23 11.574 8.013 -1.329 178 HG3 GLU 23 3HG GLU 23 9.851 8.343 -1.512 179 H ARG 24 H ARG 24 8.197 5.278 -2.960 180 HA ARG 24 HA ARG 24 6.707 7.581 -3.704 181 HB2 ARG 24 2HB ARG 24 6.878 4.784 -4.912 182 HB3 ARG 24 3HB ARG 24 6.020 6.113 -5.680 183 HG2 ARG 24 2HG ARG 24 8.990 6.071 -5.060 184 HG3 ARG 24 3HG ARG 24 8.264 5.769 -6.639 185 HD2 ARG 24 2HD ARG 24 8.143 8.365 -5.071 186 HD3 ARG 24 3HD ARG 24 9.079 8.059 -6.540 187 HE ARG 24 HE ARG 24 6.754 7.558 -7.549 188 HH11 ARG 24 1HH1 ARG 24 7.369 10.099 -5.157 189 HH12 ARG 24 2HH1 ARG 24 6.047 11.082 -5.704 190 HH21 ARG 24 1HH2 ARG 24 4.992 8.870 -8.211 191 HH22 ARG 24 2HH2 ARG 24 4.715 10.386 -7.418 192 H LEU 25 H LEU 25 5.825 4.488 -2.224 193 HA LEU 25 HA LEU 25 2.976 4.818 -2.685 194 HB2 LEU 25 2HB LEU 25 4.643 2.739 -1.234 195 HB3 LEU 25 3HB LEU 25 2.921 2.833 -0.916 196 HG LEU 25 HG LEU 25 2.428 2.399 -3.315 197 HD11 LEU 25 1HD1 LEU 25 4.119 1.688 -4.893 198 HD12 LEU 25 2HD1 LEU 25 5.396 2.005 -3.717 199 HD13 LEU 25 3HD1 LEU 25 4.431 3.338 -4.351 200 HD21 LEU 25 1HD2 LEU 25 2.490 0.531 -1.750 201 HD22 LEU 25 2HD2 LEU 25 4.216 0.303 -2.048 202 HD23 LEU 25 3HD2 LEU 25 3.049 0.023 -3.344 203 H ARG 26 H ARG 26 5.294 5.530 -0.167 204 HA ARG 26 HA ARG 26 3.660 6.181 2.017 205 HB2 ARG 26 2HB ARG 26 6.066 6.098 2.329 206 HB3 ARG 26 3HB ARG 26 6.345 7.268 1.052 207 HG2 ARG 26 2HG ARG 26 5.117 8.963 2.555 208 HG3 ARG 26 3HG ARG 26 5.278 7.774 3.841 209 HD2 ARG 26 2HD ARG 26 7.635 7.972 3.893 210 HD3 ARG 26 3HD ARG 26 7.697 8.696 2.282 211 HE ARG 26 HE ARG 26 6.291 10.293 4.240 212 HH11 ARG 26 1HH1 ARG 26 9.452 9.633 2.799 213 HH12 ARG 26 2HH1 ARG 26 10.103 11.176 3.257 214 HH21 ARG 26 1HH2 ARG 26 7.179 12.312 4.811 215 HH22 ARG 26 2HH2 ARG 26 8.822 12.681 4.389 216 H GLN 27 H GLN 27 5.003 8.223 -0.581 217 HA GLN 27 HA GLN 27 3.848 10.675 0.030 218 HB2 GLN 27 2HB GLN 27 4.307 9.609 -2.793 219 HB3 GLN 27 3HB GLN 27 4.235 11.299 -2.312 220 HG2 GLN 27 2HG GLN 27 6.392 9.300 -1.602 221 HG3 GLN 27 3HG GLN 27 6.532 10.654 -2.716 222 HE21 GLN 27 1HE2 GLN 27 8.031 9.946 -0.222 223 HE22 GLN 27 2HE2 GLN 27 7.926 11.351 0.775 224 H LEU 28 H LEU 28 2.555 8.033 -1.913 225 HA LEU 28 HA LEU 28 0.166 9.190 -2.819 226 HB2 LEU 28 2HB LEU 28 1.213 7.126 -3.751 227 HB3 LEU 28 3HB LEU 28 0.817 6.265 -2.272 228 HG LEU 28 HG LEU 28 -1.603 6.540 -2.761 229 HD11 LEU 28 1HD1 LEU 28 -1.547 8.622 -4.014 230 HD12 LEU 28 2HD1 LEU 28 -2.372 7.365 -4.929 231 HD13 LEU 28 3HD1 LEU 28 -0.722 7.828 -5.359 232 HD21 LEU 28 1HD2 LEU 28 -1.743 4.936 -4.611 233 HD22 LEU 28 2HD2 LEU 28 -0.462 4.498 -3.484 234 HD23 LEU 28 3HD2 LEU 28 -0.056 5.246 -5.032 235 H PHE 29 H PHE 29 0.806 7.125 0.051 236 HA PHE 29 HA PHE 29 -1.856 6.982 0.999 237 HB2 PHE 29 2HB PHE 29 0.770 6.642 2.519 238 HB3 PHE 29 3HB PHE 29 -0.805 6.262 3.194 239 HD1 PHE 29 HD1 PHE 29 -2.093 4.892 0.830 240 HD2 PHE 29 HD2 PHE 29 1.837 4.510 2.484 241 HE1 PHE 29 HE1 PHE 29 -1.929 2.599 -0.046 242 HE2 PHE 29 HE2 PHE 29 1.977 2.214 1.598 243 HZ PHE 29 HZ PHE 29 0.095 1.263 0.345 244 H GLU 30 H GLU 30 0.765 9.265 1.687 245 HA GLU 30 HA GLU 30 -0.501 10.664 3.831 246 HB2 GLU 30 2HB GLU 30 1.735 11.577 1.966 247 HB3 GLU 30 3HB GLU 30 1.261 12.389 3.453 248 HG2 GLU 30 2HG GLU 30 1.946 10.440 4.779 249 HG3 GLU 30 3HG GLU 30 2.351 9.565 3.303 250 H GLU 31 H GLU 31 -0.504 11.045 0.331 251 HA GLU 31 HA GLU 31 -1.825 13.581 0.245 252 HB2 GLU 31 2HB GLU 31 -0.481 12.746 -1.627 253 HB3 GLU 31 3HB GLU 31 -1.576 11.381 -1.850 254 HG2 GLU 31 2HG GLU 31 -3.368 12.859 -2.546 255 HG3 GLU 31 3HG GLU 31 -2.411 14.288 -2.160 256 H LEU 32 H LEU 32 -2.936 10.209 -0.034 257 HA LEU 32 HA LEU 32 -5.720 10.804 -0.415 258 HB2 LEU 32 2HB LEU 32 -4.375 8.216 0.482 259 HB3 LEU 32 3HB LEU 32 -6.033 8.353 -0.078 260 HG LEU 32 HG LEU 32 -3.587 8.921 -1.799 261 HD11 LEU 32 1HD1 LEU 32 -4.042 6.782 -2.929 262 HD12 LEU 32 2HD1 LEU 32 -5.325 6.430 -1.769 263 HD13 LEU 32 3HD1 LEU 32 -3.653 6.554 -1.224 264 HD21 LEU 32 1HD2 LEU 32 -5.535 10.205 -2.510 265 HD22 LEU 32 2HD2 LEU 32 -6.514 8.739 -2.582 266 HD23 LEU 32 3HD2 LEU 32 -5.155 8.950 -3.689 267 H HIS 33 H HIS 33 -3.674 10.570 2.329 268 HA HIS 33 HA HIS 33 -5.428 10.010 4.435 269 HB2 HIS 33 2HB HIS 33 -2.946 10.042 4.583 270 HB3 HIS 33 3HB HIS 33 -2.953 11.793 4.424 271 HD1 HIS 33 HD1 HIS 33 -3.115 13.098 6.585 272 HD2 HIS 33 HD2 HIS 33 -4.184 9.113 7.029 273 HE1 HIS 33 HE1 HIS 33 -3.366 12.736 9.054 274 HE2 HIS 33 HE2 HIS 33 -4.214 10.384 9.267 275 H GLU 34 H GLU 34 -5.218 12.885 2.466 276 HA GLU 34 HA GLU 34 -6.181 14.860 4.234 277 HB2 GLU 34 2HB GLU 34 -6.710 16.228 2.292 278 HB3 GLU 34 3HB GLU 34 -5.204 15.375 1.973 279 HG2 GLU 34 2HG GLU 34 -6.301 13.824 0.488 280 HG3 GLU 34 3HG GLU 34 -7.888 14.416 0.956 281 H ARG 35 H ARG 35 -7.885 12.368 2.420 282 HA ARG 35 HA ARG 35 -10.498 13.380 3.445 283 HB2 ARG 35 2HB ARG 35 -11.622 12.167 1.632 284 HB3 ARG 35 3HB ARG 35 -10.492 13.343 0.996 285 HG2 ARG 35 2HG ARG 35 -9.724 10.433 1.220 286 HG3 ARG 35 3HG ARG 35 -10.692 11.013 -0.131 287 HD2 ARG 35 2HD ARG 35 -7.915 11.970 0.606 288 HD3 ARG 35 3HD ARG 35 -8.326 10.892 -0.723 289 HE ARG 35 HE ARG 35 -9.116 13.744 -0.553 290 HH11 ARG 35 1HH1 ARG 35 -8.305 10.934 -2.526 291 HH12 ARG 35 2HH1 ARG 35 -8.374 11.811 -4.018 292 HH21 ARG 35 1HH2 ARG 35 -9.100 14.898 -2.495 293 HH22 ARG 35 2HH2 ARG 35 -8.829 14.072 -3.999 294 H GLY 36 H GLY 36 -8.229 10.797 3.456 295 HA2 GLY 36 2HA GLY 36 -8.063 8.856 4.637 296 HA3 GLY 36 3HA GLY 36 -9.323 9.485 5.689 297 H THR 37 H THR 37 -9.517 8.764 2.236 298 HA THR 37 HA THR 37 -11.887 7.207 2.454 299 HB THR 37 HB THR 37 -11.231 6.570 -0.041 300 HG1 THR 37 HG1 THR 37 -9.052 7.281 0.113 301 HG21 THR 37 1HG2 THR 37 -11.887 9.433 0.726 302 HG22 THR 37 2HG2 THR 37 -13.051 8.128 0.489 303 HG23 THR 37 3HG2 THR 37 -12.102 8.721 -0.874 304 H GLU 38 H GLU 38 -12.062 5.017 1.554 305 HA GLU 38 HA GLU 38 -10.479 3.168 2.964 306 HB2 GLU 38 2HB GLU 38 -11.816 1.439 1.715 307 HB3 GLU 38 3HB GLU 38 -12.771 2.635 2.572 308 HG2 GLU 38 2HG GLU 38 -13.187 3.819 0.428 309 HG3 GLU 38 3HG GLU 38 -12.279 2.567 -0.420 310 H ILE 39 H ILE 39 -8.399 3.225 2.464 311 HA ILE 39 HA ILE 39 -7.407 2.919 -0.246 312 HB ILE 39 HB ILE 39 -5.854 3.052 2.384 313 HG12 ILE 39 2HG1 ILE 39 -6.342 5.317 0.388 314 HG13 ILE 39 3HG1 ILE 39 -7.159 5.156 1.934 315 HG21 ILE 39 1HG2 ILE 39 -3.899 3.559 0.966 316 HG22 ILE 39 2HG2 ILE 39 -4.886 3.352 -0.480 317 HG23 ILE 39 3HG2 ILE 39 -4.579 1.976 0.583 318 HD11 ILE 39 1HD1 ILE 39 -4.204 5.619 1.530 319 HD12 ILE 39 2HD1 ILE 39 -5.003 5.404 3.091 320 HD13 ILE 39 3HD1 ILE 39 -5.403 6.790 2.080 321 H VAL 40 H VAL 40 -7.631 0.943 -0.991 322 HA VAL 40 HA VAL 40 -7.317 -1.441 0.702 323 HB VAL 40 HB VAL 40 -8.528 -1.202 -2.101 324 HG11 VAL 40 1HG1 VAL 40 -8.613 -3.512 -0.134 325 HG12 VAL 40 2HG1 VAL 40 -7.667 -3.445 -1.622 326 HG13 VAL 40 3HG1 VAL 40 -9.429 -3.455 -1.698 327 HG21 VAL 40 1HG2 VAL 40 -9.987 -1.316 0.567 328 HG22 VAL 40 2HG2 VAL 40 -10.747 -1.384 -1.024 329 HG23 VAL 40 3HG2 VAL 40 -9.894 0.074 -0.518 330 H VAL 41 H VAL 41 -5.186 -1.884 0.691 331 HA VAL 41 HA VAL 41 -3.581 -1.776 -1.765 332 HB VAL 41 HB VAL 41 -2.732 -2.405 1.115 333 HG11 VAL 41 1HG1 VAL 41 -1.027 -1.734 -1.309 334 HG12 VAL 41 2HG1 VAL 41 -1.180 -3.322 -0.553 335 HG13 VAL 41 3HG1 VAL 41 -0.440 -1.991 0.335 336 HG21 VAL 41 1HG2 VAL 41 -2.532 0.241 -0.382 337 HG22 VAL 41 2HG2 VAL 41 -1.878 -0.089 1.225 338 HG23 VAL 41 3HG2 VAL 41 -3.621 -0.116 0.961 339 H GLU 42 H GLU 42 -3.705 -3.550 -2.976 340 HA GLU 42 HA GLU 42 -4.265 -6.188 -1.755 341 HB2 GLU 42 2HB GLU 42 -6.056 -5.267 -3.207 342 HB3 GLU 42 3HB GLU 42 -4.923 -5.118 -4.543 343 HG2 GLU 42 2HG GLU 42 -6.427 -7.067 -4.751 344 HG3 GLU 42 3HG GLU 42 -4.725 -7.512 -4.707 345 H VAL 43 H VAL 43 -2.426 -7.264 -1.607 346 HA VAL 43 HA VAL 43 -0.184 -6.840 -3.477 347 HB VAL 43 HB VAL 43 -0.213 -8.073 -0.669 348 HG11 VAL 43 1HG1 VAL 43 2.260 -7.974 -0.789 349 HG12 VAL 43 2HG1 VAL 43 2.159 -7.460 -2.472 350 HG13 VAL 43 3HG1 VAL 43 1.574 -9.057 -1.997 351 HG21 VAL 43 1HG2 VAL 43 0.795 -5.331 -1.536 352 HG22 VAL 43 2HG2 VAL 43 0.908 -6.010 0.090 353 HG23 VAL 43 3HG2 VAL 43 -0.672 -5.652 -0.608 354 H HIS 44 H HIS 44 0.016 -8.391 -5.018 355 HA HIS 44 HA HIS 44 -0.655 -11.225 -4.387 356 HB2 HIS 44 2HB HIS 44 -0.850 -9.718 -7.037 357 HB3 HIS 44 3HB HIS 44 -0.921 -11.472 -6.921 358 HD1 HIS 44 HD1 HIS 44 -3.209 -12.353 -6.862 359 HD2 HIS 44 HD2 HIS 44 -3.028 -8.515 -5.298 360 HE1 HIS 44 HE1 HIS 44 -5.576 -11.742 -6.308 361 HE2 HIS 44 HE2 HIS 44 -5.392 -9.539 -5.135 362 H ILE 45 H ILE 45 1.176 -12.367 -4.109 363 HA ILE 45 HA ILE 45 3.458 -11.922 -5.934 364 HB ILE 45 HB ILE 45 3.755 -12.673 -2.995 365 HG12 ILE 45 2HG1 ILE 45 4.301 -10.028 -4.416 366 HG13 ILE 45 3HG1 ILE 45 3.155 -10.320 -3.115 367 HG21 ILE 45 1HG2 ILE 45 5.486 -13.702 -4.407 368 HG22 ILE 45 2HG2 ILE 45 6.188 -12.449 -3.394 369 HG23 ILE 45 3HG2 ILE 45 5.888 -12.127 -5.100 370 HD11 ILE 45 1HD1 ILE 45 6.160 -10.406 -2.889 371 HD12 ILE 45 2HD1 ILE 45 5.024 -10.768 -1.587 372 HD13 ILE 45 3HD1 ILE 45 5.079 -9.150 -2.283 373 H ASN 46 H ASN 46 4.006 -13.591 -7.052 374 HA ASN 46 HA ASN 46 3.993 -15.573 -8.093 375 HB2 ASN 46 2HB ASN 46 3.686 -16.820 -5.333 376 HB3 ASN 46 3HB ASN 46 4.093 -17.691 -6.805 377 HD21 ASN 46 1HD2 ASN 46 5.247 -15.536 -4.362 378 HD22 ASN 46 2HD2 ASN 46 6.919 -15.635 -4.767 379 H GLY 47 H GLY 47 1.698 -16.335 -5.504 380 HA2 GLY 47 2HA GLY 47 -0.616 -16.224 -7.310 381 HA3 GLY 47 3HA GLY 47 -0.214 -17.809 -6.656 382 H GLU 48 H GLU 48 0.712 -15.747 -4.277 383 HA GLU 48 HA GLU 48 -1.706 -16.186 -2.694 384 HB2 GLU 48 2HB GLU 48 1.030 -15.079 -1.897 385 HB3 GLU 48 3HB GLU 48 -0.278 -15.461 -0.785 386 HG2 GLU 48 2HG GLU 48 1.152 -17.471 -2.539 387 HG3 GLU 48 3HG GLU 48 1.493 -17.192 -0.837 388 H ARG 49 H ARG 49 -2.942 -14.523 -1.851 389 HA ARG 49 HA ARG 49 -2.396 -11.736 -2.752 390 HB2 ARG 49 2HB ARG 49 -4.806 -11.388 -2.863 391 HB3 ARG 49 3HB ARG 49 -4.389 -12.804 -3.818 392 HG2 ARG 49 2HG ARG 49 -5.027 -14.139 -1.650 393 HG3 ARG 49 3HG ARG 49 -5.872 -12.661 -1.196 394 HD2 ARG 49 2HD ARG 49 -7.386 -14.246 -2.297 395 HD3 ARG 49 3HD ARG 49 -7.194 -12.789 -3.278 396 HE ARG 49 HE ARG 49 -5.728 -14.024 -4.741 397 HH11 ARG 49 1HH1 ARG 49 -7.554 -16.058 -2.514 398 HH12 ARG 49 2HH1 ARG 49 -7.359 -17.479 -3.487 399 HH21 ARG 49 1HH2 ARG 49 -5.446 -15.896 -5.956 400 HH22 ARG 49 2HH2 ARG 49 -6.163 -17.387 -5.439 401 H ASP 50 H ASP 50 -2.934 -10.056 -1.289 402 HA ASP 50 HA ASP 50 -3.762 -10.700 1.428 403 HB2 ASP 50 2HB ASP 50 -1.180 -10.844 1.357 404 HB3 ASP 50 3HB ASP 50 -1.183 -9.117 1.030 405 H GLU 51 H GLU 51 -5.344 -9.307 1.781 406 HA GLU 51 HA GLU 51 -5.429 -6.683 0.449 407 HB2 GLU 51 2HB GLU 51 -7.374 -8.197 0.146 408 HB3 GLU 51 3HB GLU 51 -7.601 -8.276 1.892 409 HG2 GLU 51 2HG GLU 51 -7.958 -5.752 1.838 410 HG3 GLU 51 3HG GLU 51 -7.989 -5.878 0.079 411 H ILE 52 H ILE 52 -5.001 -4.902 1.626 412 HA ILE 52 HA ILE 52 -5.280 -4.908 4.586 413 HB ILE 52 HB ILE 52 -3.193 -3.182 3.161 414 HG12 ILE 52 2HG1 ILE 52 -2.453 -5.945 4.224 415 HG13 ILE 52 3HG1 ILE 52 -2.869 -5.679 2.539 416 HG21 ILE 52 1HG2 ILE 52 -3.325 -4.311 5.989 417 HG22 ILE 52 2HG2 ILE 52 -3.693 -2.653 5.503 418 HG23 ILE 52 3HG2 ILE 52 -2.047 -3.269 5.358 419 HD11 ILE 52 1HD1 ILE 52 -0.603 -4.297 3.965 420 HD12 ILE 52 2HD1 ILE 52 -1.002 -4.202 2.247 421 HD13 ILE 52 3HD1 ILE 52 -0.457 -5.727 2.943 422 H ARG 53 H ARG 53 -7.042 -3.593 4.942 423 HA ARG 53 HA ARG 53 -7.555 -1.294 3.128 424 HB2 ARG 53 2HB ARG 53 -9.559 -3.031 4.645 425 HB3 ARG 53 3HB ARG 53 -9.977 -1.588 3.724 426 HG2 ARG 53 2HG ARG 53 -9.056 -2.694 1.674 427 HG3 ARG 53 3HG ARG 53 -8.804 -4.154 2.627 428 HD2 ARG 53 2HD ARG 53 -11.504 -2.835 2.188 429 HD3 ARG 53 3HD ARG 53 -10.890 -4.196 1.254 430 HE ARG 53 HE ARG 53 -10.970 -5.554 3.258 431 HH11 ARG 53 1HH1 ARG 53 -12.723 -2.501 3.445 432 HH12 ARG 53 2HH1 ARG 53 -13.752 -3.032 4.737 433 HH21 ARG 53 1HH2 ARG 53 -12.326 -6.236 4.966 434 HH22 ARG 53 2HH2 ARG 53 -13.523 -5.148 5.595 435 H VAL 54 H VAL 54 -6.859 0.431 4.094 436 HA VAL 54 HA VAL 54 -7.562 1.038 6.921 437 HB VAL 54 HB VAL 54 -5.555 2.518 6.956 438 HG11 VAL 54 1HG1 VAL 54 -4.875 -0.369 6.262 439 HG12 VAL 54 2HG1 VAL 54 -5.383 0.228 7.842 440 HG13 VAL 54 3HG1 VAL 54 -3.849 0.755 7.162 441 HG21 VAL 54 1HG2 VAL 54 -5.373 2.998 4.546 442 HG22 VAL 54 2HG2 VAL 54 -4.878 1.337 4.230 443 HG23 VAL 54 3HG2 VAL 54 -3.839 2.403 5.179 444 H ARG 55 H ARG 55 -8.453 3.135 7.284 445 HA ARG 55 HA ARG 55 -9.173 4.668 4.829 446 HB2 ARG 55 2HB ARG 55 -10.816 4.319 7.375 447 HB3 ARG 55 3HB ARG 55 -11.242 5.392 6.049 448 HG2 ARG 55 2HG ARG 55 -11.575 3.503 4.546 449 HG3 ARG 55 3HG ARG 55 -10.969 2.381 5.763 450 HD2 ARG 55 2HD ARG 55 -13.504 4.040 6.001 451 HD3 ARG 55 3HD ARG 55 -13.424 2.313 5.628 452 HE ARG 55 HE ARG 55 -12.136 3.130 8.109 453 HH11 ARG 55 1HH1 ARG 55 -15.093 1.850 6.680 454 HH12 ARG 55 2HH1 ARG 55 -15.668 1.209 8.183 455 HH21 ARG 55 1HH2 ARG 55 -12.888 2.256 10.041 456 HH22 ARG 55 2HH2 ARG 55 -14.415 1.438 10.089 457 H ASN 56 H ASN 56 -9.712 5.719 8.177 458 HA ASN 56 HA ASN 56 -8.162 8.171 7.607 459 HB2 ASN 56 2HB ASN 56 -10.337 7.558 9.664 460 HB3 ASN 56 3HB ASN 56 -9.464 9.085 9.593 461 HD21 ASN 56 1HD2 ASN 56 -11.602 6.966 7.731 462 HD22 ASN 56 2HD2 ASN 56 -12.317 8.221 6.798 463 H ILE 57 H ILE 57 -6.672 5.928 8.102 464 HA ILE 57 HA ILE 57 -5.656 5.626 10.699 465 HB ILE 57 HB ILE 57 -3.407 5.039 9.399 466 HG12 ILE 57 2HG1 ILE 57 -3.884 4.266 7.010 467 HG13 ILE 57 3HG1 ILE 57 -5.390 5.168 7.068 468 HG21 ILE 57 1HG2 ILE 57 -5.917 3.367 9.060 469 HG22 ILE 57 2HG2 ILE 57 -4.855 3.395 10.469 470 HG23 ILE 57 3HG2 ILE 57 -4.256 2.783 8.929 471 HD11 ILE 57 1HD1 ILE 57 -3.645 6.348 5.843 472 HD12 ILE 57 2HD1 ILE 57 -2.613 6.341 7.271 473 HD13 ILE 57 3HD1 ILE 57 -4.123 7.257 7.280 474 H SER 58 H SER 58 -3.482 6.373 11.498 475 HA SER 58 HA SER 58 -3.179 9.237 11.234 476 HB2 SER 58 2HB SER 58 -1.524 7.171 12.753 477 HB3 SER 58 3HB SER 58 -1.374 8.920 12.921 478 HG SER 58 HG SER 58 -3.587 8.947 13.596 479 H LYS 59 H LYS 59 -0.934 10.176 10.866 480 HA LYS 59 HA LYS 59 -0.163 9.509 8.186 481 HB2 LYS 59 2HB LYS 59 1.363 11.496 8.383 482 HB3 LYS 59 3HB LYS 59 -0.310 11.828 8.799 483 HG2 LYS 59 2HG LYS 59 0.755 12.976 10.488 484 HG3 LYS 59 3HG LYS 59 0.519 11.419 11.279 485 HD2 LYS 59 2HD LYS 59 2.876 10.804 10.658 486 HD3 LYS 59 3HD LYS 59 3.082 12.417 9.973 487 HE2 LYS 59 2HE LYS 59 2.463 11.804 12.883 488 HE3 LYS 59 3HE LYS 59 4.038 12.257 12.243 489 HZ1 LYS 59 1HZ LYS 59 3.147 14.398 11.612 490 HZ2 LYS 59 2HZ LYS 59 2.897 14.125 13.259 491 HZ3 LYS 59 3HZ LYS 59 1.613 13.968 12.177 492 H GLU 60 H GLU 60 1.189 8.758 11.312 493 HA GLU 60 HA GLU 60 3.598 7.506 10.201 494 HB2 GLU 60 2HB GLU 60 4.031 6.768 12.569 495 HB3 GLU 60 3HB GLU 60 3.962 8.504 12.352 496 HG2 GLU 60 2HG GLU 60 1.476 7.085 13.243 497 HG3 GLU 60 3HG GLU 60 2.767 7.298 14.409 498 H GLU 61 H GLU 61 0.363 6.666 11.122 499 HA GLU 61 HA GLU 61 0.702 3.852 11.460 500 HB2 GLU 61 2HB GLU 61 -1.258 5.253 12.300 501 HB3 GLU 61 3HB GLU 61 -1.864 5.279 10.648 502 HG2 GLU 61 2HG GLU 61 -3.063 3.591 11.870 503 HG3 GLU 61 3HG GLU 61 -2.016 2.774 10.717 504 H LEU 62 H LEU 62 0.170 5.902 8.621 505 HA LEU 62 HA LEU 62 -0.430 3.788 6.811 506 HB2 LEU 62 2HB LEU 62 -0.034 5.394 4.987 507 HB3 LEU 62 3HB LEU 62 -1.095 6.006 6.232 508 HG LEU 62 HG LEU 62 1.082 7.209 7.132 509 HD11 LEU 62 1HD1 LEU 62 1.877 6.883 4.224 510 HD12 LEU 62 2HD1 LEU 62 2.706 6.185 5.618 511 HD13 LEU 62 3HD1 LEU 62 2.654 7.934 5.413 512 HD21 LEU 62 1HD2 LEU 62 -0.931 8.366 6.360 513 HD22 LEU 62 2HD2 LEU 62 -0.384 8.242 4.685 514 HD23 LEU 62 3HD2 LEU 62 0.529 9.210 5.846 515 H LYS 63 H LYS 63 2.542 4.816 8.203 516 HA LYS 63 HA LYS 63 4.373 3.715 6.315 517 HB2 LYS 63 2HB LYS 63 4.774 3.979 9.327 518 HB3 LYS 63 3HB LYS 63 6.039 3.764 8.126 519 HG2 LYS 63 2HG LYS 63 4.265 6.205 8.424 520 HG3 LYS 63 3HG LYS 63 5.952 6.071 8.925 521 HD2 LYS 63 2HD LYS 63 6.587 5.689 6.525 522 HD3 LYS 63 3HD LYS 63 4.901 5.965 6.069 523 HE2 LYS 63 2HE LYS 63 6.268 7.985 5.743 524 HE3 LYS 63 3HE LYS 63 5.034 8.260 6.975 525 HZ1 LYS 63 1HZ LYS 63 7.844 7.506 7.594 526 HZ2 LYS 63 2HZ LYS 63 6.656 8.020 8.683 527 HZ3 LYS 63 3HZ LYS 63 7.291 9.103 7.551 528 H LYS 64 H LYS 64 2.328 2.309 8.781 529 HA LYS 64 HA LYS 64 3.524 -0.249 9.004 530 HB2 LYS 64 2HB LYS 64 0.599 0.532 9.361 531 HB3 LYS 64 3HB LYS 64 1.350 -0.936 9.968 532 HG2 LYS 64 2HG LYS 64 2.144 1.859 10.835 533 HG3 LYS 64 3HG LYS 64 0.975 0.863 11.688 534 HD2 LYS 64 2HD LYS 64 3.891 0.129 11.248 535 HD3 LYS 64 3HD LYS 64 3.228 0.822 12.729 536 HE2 LYS 64 2HE LYS 64 2.508 -1.877 11.536 537 HE3 LYS 64 3HE LYS 64 3.473 -1.592 12.982 538 HZ1 LYS 64 1HZ LYS 64 1.241 -2.200 13.572 539 HZ2 LYS 64 2HZ LYS 64 0.592 -0.944 12.647 540 HZ3 LYS 64 3HZ LYS 64 1.514 -0.593 14.021 541 H LEU 65 H LEU 65 1.455 1.219 6.553 542 HA LEU 65 HA LEU 65 0.626 -1.181 5.212 543 HB2 LEU 65 2HB LEU 65 0.890 1.716 4.307 544 HB3 LEU 65 3HB LEU 65 0.487 0.459 3.161 545 HG LEU 65 HG LEU 65 -1.505 1.694 3.910 546 HD11 LEU 65 1HD1 LEU 65 -2.932 -0.223 4.420 547 HD12 LEU 65 2HD1 LEU 65 -1.513 -1.198 4.811 548 HD13 LEU 65 3HD1 LEU 65 -1.758 -0.612 3.163 549 HD21 LEU 65 1HD2 LEU 65 -2.356 1.545 6.175 550 HD22 LEU 65 2HD2 LEU 65 -0.749 2.248 6.186 551 HD23 LEU 65 3HD2 LEU 65 -0.973 0.573 6.677 552 H LEU 66 H LEU 66 3.324 1.095 4.770 553 HA LEU 66 HA LEU 66 4.690 -0.193 2.662 554 HB2 LEU 66 2HB LEU 66 5.994 1.395 4.915 555 HB3 LEU 66 3HB LEU 66 6.622 1.153 3.293 556 HG LEU 66 HG LEU 66 4.188 2.821 4.022 557 HD11 LEU 66 1HD1 LEU 66 6.923 3.738 3.075 558 HD12 LEU 66 2HD1 LEU 66 6.313 3.845 4.729 559 HD13 LEU 66 3HD1 LEU 66 5.531 4.758 3.446 560 HD21 LEU 66 1HD2 LEU 66 3.883 1.794 1.837 561 HD22 LEU 66 2HD2 LEU 66 5.466 2.372 1.307 562 HD23 LEU 66 3HD2 LEU 66 4.177 3.525 1.664 563 H GLU 67 H GLU 67 4.785 -0.578 6.154 564 HA GLU 67 HA GLU 67 6.926 -2.358 6.456 565 HB2 GLU 67 2HB GLU 67 5.932 -1.028 8.288 566 HB3 GLU 67 3HB GLU 67 4.422 -1.920 8.137 567 HG2 GLU 67 2HG GLU 67 5.783 -4.002 8.689 568 HG3 GLU 67 3HG GLU 67 7.076 -2.906 9.144 569 H ARG 68 H ARG 68 3.449 -2.864 5.860 570 HA ARG 68 HA ARG 68 3.506 -5.706 6.172 571 HB2 ARG 68 2HB ARG 68 1.483 -3.944 4.736 572 HB3 ARG 68 3HB ARG 68 1.277 -5.665 5.005 573 HG2 ARG 68 2HG ARG 68 1.352 -3.500 7.117 574 HG3 ARG 68 3HG ARG 68 -0.047 -4.414 6.580 575 HD2 ARG 68 2HD ARG 68 0.526 -5.383 8.629 576 HD3 ARG 68 3HD ARG 68 1.196 -6.502 7.443 577 HE ARG 68 HE ARG 68 2.888 -4.449 8.760 578 HH11 ARG 68 1HH1 ARG 68 2.260 -7.854 8.081 579 HH12 ARG 68 2HH1 ARG 68 3.762 -8.384 8.756 580 HH21 ARG 68 1HH2 ARG 68 4.851 -5.208 9.674 581 HH22 ARG 68 2HH2 ARG 68 5.215 -6.903 9.647 582 H ILE 69 H ILE 69 3.578 -3.552 3.331 583 HA ILE 69 HA ILE 69 3.619 -5.544 1.321 584 HB ILE 69 HB ILE 69 4.697 -2.677 1.246 585 HG12 ILE 69 2HG1 ILE 69 1.994 -3.723 0.277 586 HG13 ILE 69 3HG1 ILE 69 2.250 -2.934 1.826 587 HG21 ILE 69 1HG2 ILE 69 5.666 -3.948 -0.613 588 HG22 ILE 69 2HG2 ILE 69 4.471 -2.804 -1.222 589 HG23 ILE 69 3HG2 ILE 69 4.066 -4.517 -1.099 590 HD11 ILE 69 1HD1 ILE 69 1.315 -1.385 0.256 591 HD12 ILE 69 2HD1 ILE 69 2.626 -1.673 -0.888 592 HD13 ILE 69 3HD1 ILE 69 2.956 -0.890 0.662 593 H ARG 70 H ARG 70 6.263 -3.867 3.055 594 HA ARG 70 HA ARG 70 8.367 -4.871 1.447 595 HB2 ARG 70 2HB ARG 70 9.926 -4.051 3.082 596 HB3 ARG 70 3HB ARG 70 8.633 -2.875 2.889 597 HG2 ARG 70 2HG ARG 70 7.631 -3.582 4.999 598 HG3 ARG 70 3HG ARG 70 8.855 -4.839 5.182 599 HD2 ARG 70 2HD ARG 70 9.366 -1.843 5.146 600 HD3 ARG 70 3HD ARG 70 9.411 -2.896 6.570 601 HE ARG 70 HE ARG 70 11.213 -4.136 5.261 602 HH11 ARG 70 1HH1 ARG 70 10.814 -0.624 5.087 603 HH12 ARG 70 2HH1 ARG 70 12.478 -0.348 4.679 604 HH21 ARG 70 1HH2 ARG 70 13.327 -3.774 4.640 605 HH22 ARG 70 2HH2 ARG 70 13.911 -2.155 4.427 606 H GLU 71 H GLU 71 6.859 -6.151 4.451 607 HA GLU 71 HA GLU 71 8.803 -8.240 4.740 608 HB2 GLU 71 2HB GLU 71 7.417 -9.169 6.504 609 HB3 GLU 71 3HB GLU 71 7.536 -7.433 6.691 610 HG2 GLU 71 2HG GLU 71 5.324 -7.761 7.204 611 HG3 GLU 71 3HG GLU 71 5.193 -7.418 5.488 612 H LYS 72 H LYS 72 6.009 -7.833 2.699 613 HA LYS 72 HA LYS 72 5.512 -10.629 2.175 614 HB2 LYS 72 2HB LYS 72 5.053 -8.419 0.119 615 HB3 LYS 72 3HB LYS 72 4.210 -9.950 0.262 616 HG2 LYS 72 2HG LYS 72 3.942 -7.579 2.102 617 HG3 LYS 72 3HG LYS 72 2.797 -8.060 0.861 618 HD2 LYS 72 2HD LYS 72 2.391 -10.184 2.107 619 HD3 LYS 72 3HD LYS 72 3.488 -9.615 3.375 620 HE2 LYS 72 2HE LYS 72 2.001 -7.625 3.690 621 HE3 LYS 72 3HE LYS 72 0.875 -8.319 2.520 622 HZ1 LYS 72 1HZ LYS 72 0.157 -8.828 4.726 623 HZ2 LYS 72 2HZ LYS 72 1.658 -9.484 5.137 624 HZ3 LYS 72 3HZ LYS 72 0.672 -10.262 4.002 625 H ILE 73 H ILE 73 7.248 -8.035 0.433 626 HA ILE 73 HA ILE 73 8.204 -9.738 -1.645 627 HB ILE 73 HB ILE 73 9.505 -7.775 -2.444 628 HG12 ILE 73 2HG1 ILE 73 8.928 -5.512 -1.152 629 HG13 ILE 73 3HG1 ILE 73 8.745 -6.569 0.239 630 HG21 ILE 73 1HG2 ILE 73 7.571 -6.304 -2.897 631 HG22 ILE 73 2HG2 ILE 73 6.653 -7.113 -1.625 632 HG23 ILE 73 3HG2 ILE 73 7.148 -8.009 -3.064 633 HD11 ILE 73 1HD1 ILE 73 11.238 -6.256 -1.426 634 HD12 ILE 73 2HD1 ILE 73 11.077 -7.268 0.011 635 HD13 ILE 73 3HD1 ILE 73 10.933 -5.516 0.143 636 H GLU 74 H GLU 74 9.480 -8.957 1.486 637 HA GLU 74 HA GLU 74 12.218 -9.779 0.977 638 HB2 GLU 74 2HB GLU 74 10.710 -9.073 3.529 639 HB3 GLU 74 3HB GLU 74 12.373 -9.659 3.563 640 HG2 GLU 74 2HG GLU 74 13.095 -7.748 2.202 641 HG3 GLU 74 3HG GLU 74 11.429 -7.184 2.097 642 H ARG 75 H ARG 75 9.429 -11.204 2.763 643 HA ARG 75 HA ARG 75 10.776 -13.584 3.544 644 HB2 ARG 75 2HB ARG 75 8.637 -14.420 4.270 645 HB3 ARG 75 3HB ARG 75 8.585 -12.682 4.537 646 HG2 ARG 75 2HG ARG 75 7.354 -12.473 2.341 647 HG3 ARG 75 3HG ARG 75 7.274 -14.229 2.290 648 HD2 ARG 75 2HD ARG 75 5.980 -14.195 4.419 649 HD3 ARG 75 3HD ARG 75 6.011 -12.422 4.376 650 HE ARG 75 HE ARG 75 4.960 -13.795 2.016 651 HH11 ARG 75 1HH1 ARG 75 4.189 -12.054 4.985 652 HH12 ARG 75 2HH1 ARG 75 2.565 -11.718 4.486 653 HH21 ARG 75 1HH2 ARG 75 2.845 -13.317 1.374 654 HH22 ARG 75 2HH2 ARG 75 1.802 -12.435 2.434 655 H GLU 76 H GLU 76 8.910 -12.729 0.681 656 HA GLU 76 HA GLU 76 8.852 -15.350 -0.506 657 HB2 GLU 76 2HB GLU 76 8.251 -12.573 -1.631 658 HB3 GLU 76 3HB GLU 76 7.973 -14.070 -2.509 659 HG2 GLU 76 2HG GLU 76 6.648 -13.433 0.142 660 HG3 GLU 76 3HG GLU 76 5.937 -13.030 -1.416 661 H GLY 77 H GLY 77 10.707 -12.343 -0.969 662 HA2 GLY 77 2HA GLY 77 12.559 -11.807 -2.200 663 HA3 GLY 77 3HA GLY 77 13.024 -13.499 -2.086 664 H SER 78 H SER 78 10.027 -12.412 -3.514 665 HA SER 78 HA SER 78 10.797 -13.619 -6.096 666 HB2 SER 78 2HB SER 78 8.034 -13.185 -4.883 667 HB3 SER 78 3HB SER 78 8.365 -13.993 -6.418 668 HG SER 78 HG SER 78 9.743 -15.424 -4.986 669 H SER 79 H SER 79 10.876 -12.365 -7.850 670 HA SER 79 HA SER 79 10.287 -9.542 -7.850 671 HB2 SER 79 2HB SER 79 11.108 -11.392 -10.129 672 HB3 SER 79 3HB SER 79 11.186 -9.629 -10.149 673 HG SER 79 HG SER 79 12.562 -10.053 -8.131 674 H GLU 80 H GLU 80 8.443 -12.327 -8.375 675 HA GLU 80 HA GLU 80 6.449 -11.208 -10.158 676 HB2 GLU 80 2HB GLU 80 6.907 -13.684 -10.033 677 HB3 GLU 80 3HB GLU 80 6.359 -13.688 -8.370 678 HG2 GLU 80 2HG GLU 80 4.652 -14.586 -9.887 679 HG3 GLU 80 3HG GLU 80 4.089 -13.135 -9.066 680 H VAL 81 H VAL 81 6.076 -9.197 -8.967 681 HA VAL 81 HA VAL 81 4.348 -9.508 -6.576 682 HB VAL 81 HB VAL 81 6.531 -8.774 -5.762 683 HG11 VAL 81 1HG1 VAL 81 6.306 -6.378 -7.606 684 HG12 VAL 81 2HG1 VAL 81 7.427 -7.730 -7.776 685 HG13 VAL 81 3HG1 VAL 81 7.565 -6.642 -6.395 686 HG21 VAL 81 1HG2 VAL 81 5.854 -6.730 -4.525 687 HG22 VAL 81 2HG2 VAL 81 4.566 -7.931 -4.564 688 HG23 VAL 81 3HG2 VAL 81 4.482 -6.521 -5.619 689 H GLU 82 H GLU 82 2.634 -8.226 -6.435 690 HA GLU 82 HA GLU 82 2.077 -6.085 -8.383 691 HB2 GLU 82 2HB GLU 82 0.902 -8.131 -9.174 692 HB3 GLU 82 3HB GLU 82 0.201 -8.368 -7.578 693 HG2 GLU 82 2HG GLU 82 -1.467 -7.470 -9.099 694 HG3 GLU 82 3HG GLU 82 -1.102 -6.292 -7.841 695 H VAL 83 H VAL 83 1.160 -4.317 -7.409 696 HA VAL 83 HA VAL 83 -0.222 -4.561 -4.808 697 HB VAL 83 HB VAL 83 1.885 -2.399 -5.382 698 HG11 VAL 83 1HG1 VAL 83 1.417 -1.560 -3.103 699 HG12 VAL 83 2HG1 VAL 83 0.117 -2.740 -2.933 700 HG13 VAL 83 3HG1 VAL 83 -0.005 -1.462 -4.145 701 HG21 VAL 83 1HG2 VAL 83 1.989 -4.613 -3.292 702 HG22 VAL 83 2HG2 VAL 83 3.180 -3.326 -3.493 703 HG23 VAL 83 3HG2 VAL 83 2.961 -4.530 -4.762 704 H ASN 84 H ASN 84 -2.257 -4.037 -5.487 705 HA ASN 84 HA ASN 84 -2.689 -1.629 -7.163 706 HB2 ASN 84 2HB ASN 84 -4.432 -4.048 -6.562 707 HB3 ASN 84 3HB ASN 84 -5.153 -2.549 -7.125 708 HD21 ASN 84 1HD2 ASN 84 -2.008 -3.720 -8.264 709 HD22 ASN 84 2HD2 ASN 84 -2.540 -4.071 -9.862 710 H VAL 85 H VAL 85 -2.753 0.111 -5.916 711 HA VAL 85 HA VAL 85 -4.066 0.109 -3.286 712 HB VAL 85 HB VAL 85 -2.478 2.295 -4.731 713 HG11 VAL 85 1HG1 VAL 85 -2.502 3.523 -2.582 714 HG12 VAL 85 2HG1 VAL 85 -3.577 2.304 -1.896 715 HG13 VAL 85 3HG1 VAL 85 -4.129 3.313 -3.235 716 HG21 VAL 85 1HG2 VAL 85 -1.062 0.396 -4.056 717 HG22 VAL 85 2HG2 VAL 85 -1.655 0.516 -2.398 718 HG23 VAL 85 3HG2 VAL 85 -0.689 1.824 -3.086 719 H HIS 86 H HIS 86 -6.214 0.357 -3.380 720 HA HIS 86 HA HIS 86 -7.545 2.044 -5.417 721 HB2 HIS 86 2HB HIS 86 -8.660 0.001 -3.425 722 HB3 HIS 86 3HB HIS 86 -9.650 0.943 -4.536 723 HD1 HIS 86 HD1 HIS 86 -10.427 -0.548 -6.349 724 HD2 HIS 86 HD2 HIS 86 -6.516 -1.446 -5.252 725 HE1 HIS 86 HE1 HIS 86 -9.716 -2.409 -7.867 726 HE2 HIS 86 HE2 HIS 86 -7.403 -3.013 -7.112 727 H SER 87 H SER 87 -8.776 3.868 -4.744 728 HA SER 87 HA SER 87 -9.565 4.258 -2.012 729 HB2 SER 87 2HB SER 87 -8.371 6.439 -1.665 730 HB3 SER 87 3HB SER 87 -7.260 5.078 -1.772 731 HG SER 87 HG SER 87 -7.424 5.851 -4.200 732 H GLY 88 H GLY 88 -11.659 4.565 -2.620 733 HA2 GLY 88 2HA GLY 88 -13.496 5.871 -2.985 734 HA3 GLY 88 3HA GLY 88 -12.411 7.239 -3.067 735 H GLY 89 H GLY 89 -11.832 4.790 -5.444 736 HA2 GLY 89 2HA GLY 89 -13.296 4.635 -7.496 737 HA3 GLY 89 3HA GLY 89 -13.231 6.391 -7.539 738 H GLN 90 H GLN 90 -10.221 5.818 -6.549 739 HA GLN 90 HA GLN 90 -9.128 5.495 -9.292 740 HB2 GLN 90 2HB GLN 90 -7.947 6.924 -6.870 741 HB3 GLN 90 3HB GLN 90 -7.151 6.741 -8.427 742 HG2 GLN 90 2HG GLN 90 -9.119 8.007 -9.441 743 HG3 GLN 90 3HG GLN 90 -9.613 8.368 -7.791 744 HE21 GLN 90 1HE2 GLN 90 -6.260 8.212 -8.943 745 HE22 GLN 90 2HE2 GLN 90 -5.926 9.888 -8.698 746 H THR 91 H THR 91 -7.312 4.152 -9.630 747 HA THR 91 HA THR 91 -6.296 2.520 -7.408 748 HB THR 91 HB THR 91 -7.379 1.355 -10.016 749 HG1 THR 91 HG1 THR 91 -8.654 1.891 -7.830 750 HG21 THR 91 1HG2 THR 91 -6.758 -0.863 -9.071 751 HG22 THR 91 2HG2 THR 91 -5.972 -0.062 -7.710 752 HG23 THR 91 3HG2 THR 91 -5.330 0.141 -9.341 753 H TRP 92 H TRP 92 -4.141 2.337 -7.470 754 HA TRP 92 HA TRP 92 -2.631 3.015 -9.926 755 HB2 TRP 92 2HB TRP 92 -1.772 3.214 -6.997 756 HB3 TRP 92 3HB TRP 92 -0.761 3.612 -8.383 757 HD1 TRP 92 HD1 TRP 92 -1.141 5.992 -9.533 758 HE1 TRP 92 HE1 TRP 92 -2.523 8.060 -8.878 759 HE3 TRP 92 HE3 TRP 92 -3.996 3.928 -5.844 760 HZ2 TRP 92 HZ2 TRP 92 -4.550 8.726 -7.040 761 HZ3 TRP 92 HZ3 TRP 92 -5.637 5.338 -4.681 762 HH2 TRP 92 HH2 TRP 92 -5.907 7.696 -5.267 763 H THR 93 H THR 93 -1.463 1.453 -10.827 764 HA THR 93 HA THR 93 -1.198 -1.185 -9.549 765 HB THR 93 HB THR 93 -0.657 -0.339 -12.442 766 HG1 THR 93 HG1 THR 93 -2.790 -1.912 -12.240 767 HG21 THR 93 1HG2 THR 93 -0.947 -3.125 -11.242 768 HG22 THR 93 2HG2 THR 93 0.549 -2.419 -11.862 769 HG23 THR 93 3HG2 THR 93 -0.788 -2.759 -12.961 770 H PHE 94 H PHE 94 0.695 -1.678 -8.594 771 HA PHE 94 HA PHE 94 3.205 -0.336 -9.422 772 HB2 PHE 94 2HB PHE 94 2.413 -1.244 -6.616 773 HB3 PHE 94 3HB PHE 94 3.987 -0.594 -7.060 774 HD1 PHE 94 HD1 PHE 94 3.989 1.792 -8.137 775 HD2 PHE 94 HD2 PHE 94 0.762 0.231 -5.803 776 HE1 PHE 94 HE1 PHE 94 3.207 4.077 -7.686 777 HE2 PHE 94 HE2 PHE 94 -0.013 2.519 -5.358 778 HZ PHE 94 HZ PHE 94 1.202 4.443 -6.303 779 H ASN 95 H ASN 95 4.583 -1.674 -10.296 780 HA ASN 95 HA ASN 95 4.546 -4.575 -9.689 781 HB2 ASN 95 2HB ASN 95 4.974 -3.278 -12.418 782 HB3 ASN 95 3HB ASN 95 5.036 -5.003 -12.083 783 HD21 ASN 95 1HD2 ASN 95 2.697 -5.060 -10.351 784 HD22 ASN 95 2HD2 ASN 95 1.330 -4.796 -11.370 785 H GLU 96 H GLU 96 6.627 -5.639 -10.013 786 HA GLU 96 HA GLU 96 8.988 -4.223 -9.380 787 HB2 GLU 96 2HB GLU 96 8.725 -6.672 -9.044 788 HB3 GLU 96 3HB GLU 96 8.675 -6.924 -10.783 789 HG2 GLU 96 2HG GLU 96 10.859 -7.538 -9.919 790 HG3 GLU 96 3HG GLU 96 11.004 -6.114 -10.948 791 H LYS 97 H LYS 97 10.706 -3.500 -10.705 792 HA LYS 97 HA LYS 97 9.998 -2.825 -13.477 793 HB2 LYS 97 2HB LYS 97 12.296 -1.841 -11.709 794 HB3 LYS 97 3HB LYS 97 12.057 -1.368 -13.385 795 HG2 LYS 97 2HG LYS 97 11.236 0.417 -12.031 796 HG3 LYS 97 3HG LYS 97 9.842 -0.379 -12.747 797 HD2 LYS 97 2HD LYS 97 9.303 0.190 -10.474 798 HD3 LYS 97 3HD LYS 97 9.469 -1.562 -10.557 799 HE2 LYS 97 2HE LYS 97 11.666 0.294 -9.583 800 HE3 LYS 97 3HE LYS 97 10.481 -0.464 -8.524 801 HZ1 LYS 97 1HZ LYS 97 12.533 -1.705 -8.567 802 HZ2 LYS 97 2HZ LYS 97 12.440 -1.913 -10.227 803 HZ3 LYS 97 3HZ LYS 97 11.288 -2.632 -9.212 Start of MODEL 10 1 H1 MET 1 1H MET 1 31.814 13.387 -30.820 2 H2 MET 1 2H MET 1 32.751 12.805 -29.540 3 H3 MET 1 3H MET 1 31.145 13.250 -29.279 4 HA MET 1 HA MET 1 30.331 11.490 -30.577 5 HB2 MET 1 2HB MET 1 31.874 9.799 -31.586 6 HB3 MET 1 3HB MET 1 32.048 11.389 -32.309 7 HG2 MET 1 2HG MET 1 34.108 11.764 -31.015 8 HG3 MET 1 3HG MET 1 33.933 10.173 -30.269 9 HE1 MET 1 1HE MET 1 36.408 9.399 -31.080 10 HE2 MET 1 2HE MET 1 36.615 11.040 -31.700 11 HE3 MET 1 3HE MET 1 36.976 9.654 -32.729 12 H GLY 2 H GLY 2 29.905 9.473 -29.633 13 HA2 GLY 2 2HA GLY 2 31.475 8.543 -27.317 14 HA3 GLY 2 3HA GLY 2 29.785 8.977 -27.065 15 H HIS 3 H HIS 3 31.779 7.093 -29.324 16 HA HIS 3 HA HIS 3 29.836 5.442 -30.441 17 HB2 HIS 3 2HB HIS 3 32.070 5.740 -31.411 18 HB3 HIS 3 3HB HIS 3 32.821 4.950 -30.031 19 HD1 HIS 3 HD1 HIS 3 30.981 4.240 -33.224 20 HD2 HIS 3 HD2 HIS 3 32.781 2.127 -30.130 21 HE1 HIS 3 HE1 HIS 3 31.195 1.878 -34.046 22 HE2 HIS 3 HE2 HIS 3 32.408 0.662 -32.216 23 H HIS 4 H HIS 4 31.999 4.747 -27.687 24 HA HIS 4 HA HIS 4 30.086 2.690 -26.730 25 HB2 HIS 4 2HB HIS 4 32.214 1.685 -27.725 26 HB3 HIS 4 3HB HIS 4 33.115 2.473 -26.438 27 HD1 HIS 4 HD1 HIS 4 33.020 1.408 -24.102 28 HD2 HIS 4 HD2 HIS 4 30.600 -0.513 -26.870 29 HE1 HIS 4 HE1 HIS 4 32.327 -0.742 -23.014 30 HE2 HIS 4 HE2 HIS 4 30.772 -1.824 -24.664 31 H HIS 5 H HIS 5 29.855 5.275 -26.074 32 HA HIS 5 HA HIS 5 31.053 5.943 -23.558 33 HB2 HIS 5 2HB HIS 5 30.116 7.682 -25.033 34 HB3 HIS 5 3HB HIS 5 28.509 6.980 -24.894 35 HD1 HIS 5 HD1 HIS 5 27.067 8.239 -23.303 36 HD2 HIS 5 HD2 HIS 5 31.080 8.483 -22.216 37 HE1 HIS 5 HE1 HIS 5 27.140 9.721 -21.277 38 HE2 HIS 5 HE2 HIS 5 29.545 9.711 -20.547 39 H HIS 6 H HIS 6 27.783 4.866 -24.482 40 HA HIS 6 HA HIS 6 27.101 4.147 -21.751 41 HB2 HIS 6 2HB HIS 6 25.444 5.246 -23.306 42 HB3 HIS 6 3HB HIS 6 25.439 3.788 -24.291 43 HD1 HIS 6 HD1 HIS 6 23.508 2.266 -23.735 44 HD2 HIS 6 HD2 HIS 6 24.696 4.522 -20.452 45 HE1 HIS 6 HE1 HIS 6 21.929 1.658 -21.871 46 HE2 HIS 6 HE2 HIS 6 22.646 3.077 -19.927 47 H HIS 7 H HIS 7 26.719 2.105 -21.022 48 HA HIS 7 HA HIS 7 27.584 -0.196 -22.642 49 HB2 HIS 7 2HB HIS 7 27.193 0.093 -19.624 50 HB3 HIS 7 3HB HIS 7 27.661 -1.402 -20.436 51 HD1 HIS 7 HD1 HIS 7 28.993 2.087 -19.724 52 HD2 HIS 7 HD2 HIS 7 30.366 -1.621 -21.000 53 HE1 HIS 7 HE1 HIS 7 31.491 2.281 -19.807 54 HE2 HIS 7 HE2 HIS 7 32.289 -0.042 -20.335 55 H HIS 8 H HIS 8 25.880 -0.858 -23.801 56 HA HIS 8 HA HIS 8 23.138 -0.752 -23.142 57 HB2 HIS 8 2HB HIS 8 23.959 -1.053 -25.449 58 HB3 HIS 8 3HB HIS 8 24.635 -2.621 -25.041 59 HD1 HIS 8 HD1 HIS 8 22.975 -4.593 -24.798 60 HD2 HIS 8 HD2 HIS 8 21.210 -1.049 -26.035 61 HE1 HIS 8 HE1 HIS 8 20.734 -5.242 -25.700 62 HE2 HIS 8 HE2 HIS 8 19.722 -3.091 -26.517 63 H GLU 9 H GLU 9 25.633 -3.092 -22.508 64 HA GLU 9 HA GLU 9 23.953 -5.073 -21.256 65 HB2 GLU 9 2HB GLU 9 26.985 -4.754 -21.144 66 HB3 GLU 9 3HB GLU 9 26.063 -6.203 -20.764 67 HG2 GLU 9 2HG GLU 9 26.374 -4.933 -23.502 68 HG3 GLU 9 3HG GLU 9 27.147 -6.414 -22.944 69 H ASN 10 H ASN 10 23.392 -5.143 -19.127 70 HA ASN 10 HA ASN 10 24.936 -3.590 -17.127 71 HB2 ASN 10 2HB ASN 10 22.815 -2.341 -17.777 72 HB3 ASN 10 3HB ASN 10 21.874 -3.690 -17.155 73 HD21 ASN 10 1HD2 ASN 10 23.838 -0.947 -16.318 74 HD22 ASN 10 2HD2 ASN 10 23.513 -0.971 -14.621 75 H LEU 11 H LEU 11 24.787 -4.434 -14.968 76 HA LEU 11 HA LEU 11 24.895 -7.326 -15.013 77 HB2 LEU 11 2HB LEU 11 25.585 -5.329 -12.821 78 HB3 LEU 11 3HB LEU 11 25.754 -7.064 -12.639 79 HG LEU 11 HG LEU 11 27.940 -6.203 -13.098 80 HD11 LEU 11 1HD1 LEU 11 26.919 -7.466 -15.659 81 HD12 LEU 11 2HD1 LEU 11 27.455 -8.321 -14.209 82 HD13 LEU 11 3HD1 LEU 11 28.605 -7.366 -15.138 83 HD21 LEU 11 1HD2 LEU 11 27.357 -4.026 -14.050 84 HD22 LEU 11 2HD2 LEU 11 26.848 -4.792 -15.555 85 HD23 LEU 11 3HD2 LEU 11 28.543 -4.852 -15.059 86 H TYR 12 H TYR 12 22.900 -4.861 -13.451 87 HA TYR 12 HA TYR 12 21.132 -6.958 -12.318 88 HB2 TYR 12 2HB TYR 12 20.583 -5.402 -10.471 89 HB3 TYR 12 3HB TYR 12 22.304 -5.746 -10.503 90 HD1 TYR 12 HD1 TYR 12 23.852 -3.937 -11.646 91 HD2 TYR 12 HD2 TYR 12 19.839 -3.129 -10.391 92 HE1 TYR 12 HE1 TYR 12 24.323 -1.522 -11.673 93 HE2 TYR 12 HE2 TYR 12 20.314 -0.720 -10.420 94 HH TYR 12 HH TYR 12 23.094 0.588 -11.884 95 H PHE 13 H PHE 13 19.344 -7.068 -13.557 96 HA PHE 13 HA PHE 13 18.374 -4.900 -15.177 97 HB2 PHE 13 2HB PHE 13 18.112 -7.263 -15.882 98 HB3 PHE 13 3HB PHE 13 17.060 -7.573 -14.505 99 HD1 PHE 13 HD1 PHE 13 17.349 -5.506 -17.618 100 HD2 PHE 13 HD2 PHE 13 14.693 -7.198 -14.715 101 HE1 PHE 13 HE1 PHE 13 15.413 -4.817 -18.971 102 HE2 PHE 13 HE2 PHE 13 12.768 -6.508 -16.076 103 HZ PHE 13 HZ PHE 13 13.127 -5.318 -18.203 104 H GLN 14 H GLN 14 17.158 -6.556 -12.268 105 HA GLN 14 HA GLN 14 15.732 -4.221 -11.299 106 HB2 GLN 14 2HB GLN 14 14.110 -5.111 -12.941 107 HB3 GLN 14 3HB GLN 14 14.228 -6.719 -12.241 108 HG2 GLN 14 2HG GLN 14 12.152 -5.789 -11.508 109 HG3 GLN 14 3HG GLN 14 13.235 -5.774 -10.117 110 HE21 GLN 14 1HE2 GLN 14 12.055 -4.163 -9.072 111 HE22 GLN 14 2HE2 GLN 14 12.019 -2.524 -9.609 112 H SER 15 H SER 15 15.113 -4.467 -9.124 113 HA SER 15 HA SER 15 15.666 -7.011 -7.724 114 HB2 SER 15 2HB SER 15 16.428 -4.212 -6.726 115 HB3 SER 15 3HB SER 15 16.681 -5.731 -5.857 116 HG SER 15 HG SER 15 17.776 -6.011 -8.255 117 H HIS 16 H HIS 16 14.745 -6.321 -5.206 118 HA HIS 16 HA HIS 16 11.944 -5.834 -5.422 119 HB2 HIS 16 2HB HIS 16 13.835 -5.796 -3.037 120 HB3 HIS 16 3HB HIS 16 12.114 -5.460 -2.872 121 HD1 HIS 16 HD1 HIS 16 14.245 -8.096 -2.228 122 HD2 HIS 16 HD2 HIS 16 10.670 -7.826 -4.328 123 HE1 HIS 16 HE1 HIS 16 13.281 -10.407 -2.224 124 HE2 HIS 16 HE2 HIS 16 11.034 -10.162 -3.317 125 H MET 17 H MET 17 14.765 -3.836 -4.725 126 HA MET 17 HA MET 17 15.186 -1.614 -4.579 127 HB2 MET 17 2HB MET 17 14.220 -1.873 -6.952 128 HB3 MET 17 3HB MET 17 12.692 -1.288 -6.318 129 HG2 MET 17 2HG MET 17 13.748 0.862 -5.748 130 HG3 MET 17 3HG MET 17 15.292 0.271 -6.361 131 HE1 MET 17 1HE MET 17 14.367 -1.351 -9.008 132 HE2 MET 17 2HE MET 17 15.742 -0.245 -8.974 133 HE3 MET 17 3HE MET 17 14.506 -0.083 -10.223 134 H THR 18 H THR 18 14.032 -2.569 -2.363 135 HA THR 18 HA THR 18 11.349 -2.281 -1.911 136 HB THR 18 HB THR 18 13.431 -2.368 0.315 137 HG1 THR 18 HG1 THR 18 13.276 -4.657 0.020 138 HG21 THR 18 1HG2 THR 18 11.692 -3.652 1.527 139 HG22 THR 18 2HG2 THR 18 10.581 -3.454 0.173 140 HG23 THR 18 3HG2 THR 18 11.097 -2.046 1.105 141 H ASP 19 H ASP 19 13.888 -0.134 -0.498 142 HA ASP 19 HA ASP 19 12.036 1.433 0.986 143 HB2 ASP 19 2HB ASP 19 14.428 1.201 1.626 144 HB3 ASP 19 3HB ASP 19 14.908 2.101 0.193 145 H GLU 20 H GLU 20 13.359 1.758 -2.264 146 HA GLU 20 HA GLU 20 12.400 4.414 -2.788 147 HB2 GLU 20 2HB GLU 20 13.197 2.170 -4.698 148 HB3 GLU 20 3HB GLU 20 12.867 3.831 -5.187 149 HG2 GLU 20 2HG GLU 20 15.099 2.924 -3.346 150 HG3 GLU 20 3HG GLU 20 15.272 3.405 -5.034 151 H LEU 21 H LEU 21 11.235 1.146 -3.547 152 HA LEU 21 HA LEU 21 8.900 1.662 -4.954 153 HB2 LEU 21 2HB LEU 21 9.836 -0.592 -4.742 154 HB3 LEU 21 3HB LEU 21 9.606 -0.567 -3.003 155 HG LEU 21 HG LEU 21 7.107 -0.563 -3.376 156 HD11 LEU 21 1HD1 LEU 21 7.812 -1.030 -6.282 157 HD12 LEU 21 2HD1 LEU 21 7.006 0.391 -5.609 158 HD13 LEU 21 3HD1 LEU 21 6.202 -1.175 -5.566 159 HD21 LEU 21 1HD2 LEU 21 6.940 -2.945 -3.976 160 HD22 LEU 21 2HD2 LEU 21 8.251 -2.642 -2.838 161 HD23 LEU 21 3HD2 LEU 21 8.611 -2.924 -4.547 162 H LEU 22 H LEU 22 9.338 1.176 -1.445 163 HA LEU 22 HA LEU 22 6.647 1.582 -0.693 164 HB2 LEU 22 2HB LEU 22 9.146 1.892 1.014 165 HB3 LEU 22 3HB LEU 22 7.503 1.726 1.613 166 HG LEU 22 HG LEU 22 9.132 -0.399 0.184 167 HD11 LEU 22 1HD1 LEU 22 8.079 -0.346 3.021 168 HD12 LEU 22 2HD1 LEU 22 9.738 0.027 2.541 169 HD13 LEU 22 3HD1 LEU 22 9.091 -1.584 2.274 170 HD21 LEU 22 1HD2 LEU 22 7.236 -1.935 0.566 171 HD22 LEU 22 2HD2 LEU 22 6.826 -0.636 -0.550 172 HD23 LEU 22 3HD2 LEU 22 6.249 -0.580 1.119 173 H GLU 23 H GLU 23 9.413 3.788 -0.999 174 HA GLU 23 HA GLU 23 8.414 6.078 0.269 175 HB2 GLU 23 2HB GLU 23 10.743 5.921 -0.480 176 HB3 GLU 23 3HB GLU 23 10.236 5.839 -2.164 177 HG2 GLU 23 2HG GLU 23 9.262 8.172 -1.880 178 HG3 GLU 23 3HG GLU 23 10.028 8.226 -0.293 179 H ARG 24 H ARG 24 8.031 4.937 -3.086 180 HA ARG 24 HA ARG 24 6.481 7.048 -4.127 181 HB2 ARG 24 2HB ARG 24 6.327 4.101 -4.881 182 HB3 ARG 24 3HB ARG 24 5.757 5.440 -5.867 183 HG2 ARG 24 2HG ARG 24 8.645 4.875 -5.140 184 HG3 ARG 24 3HG ARG 24 7.877 4.490 -6.677 185 HD2 ARG 24 2HD ARG 24 9.023 6.464 -7.160 186 HD3 ARG 24 3HD ARG 24 7.397 7.057 -6.818 187 HE ARG 24 HE ARG 24 9.518 7.074 -4.749 188 HH11 ARG 24 1HH1 ARG 24 7.148 8.857 -6.654 189 HH12 ARG 24 2HH1 ARG 24 7.375 10.330 -5.769 190 HH21 ARG 24 1HH2 ARG 24 9.834 9.034 -3.655 191 HH22 ARG 24 2HH2 ARG 24 8.898 10.423 -4.074 192 H LEU 25 H LEU 25 5.635 4.266 -2.161 193 HA LEU 25 HA LEU 25 2.763 4.517 -2.532 194 HB2 LEU 25 2HB LEU 25 4.565 2.683 -0.931 195 HB3 LEU 25 3HB LEU 25 2.849 2.743 -0.570 196 HG LEU 25 HG LEU 25 2.280 1.956 -2.831 197 HD11 LEU 25 1HD1 LEU 25 3.932 1.274 -4.468 198 HD12 LEU 25 2HD1 LEU 25 5.243 1.802 -3.413 199 HD13 LEU 25 3HD1 LEU 25 4.130 2.987 -4.095 200 HD21 LEU 25 1HD2 LEU 25 3.200 -0.322 -2.687 201 HD22 LEU 25 2HD2 LEU 25 2.680 0.281 -1.116 202 HD23 LEU 25 3HD2 LEU 25 4.399 0.239 -1.516 203 H ARG 26 H ARG 26 5.208 5.499 -0.181 204 HA ARG 26 HA ARG 26 3.515 6.195 1.976 205 HB2 ARG 26 2HB ARG 26 6.045 5.899 2.093 206 HB3 ARG 26 3HB ARG 26 6.213 7.459 1.293 207 HG2 ARG 26 2HG ARG 26 4.873 8.460 3.237 208 HG3 ARG 26 3HG ARG 26 5.042 6.896 4.040 209 HD2 ARG 26 2HD ARG 26 6.757 8.407 4.859 210 HD3 ARG 26 3HD ARG 26 7.527 7.137 3.901 211 HE ARG 26 HE ARG 26 6.948 9.855 2.848 212 HH11 ARG 26 1HH1 ARG 26 9.176 7.123 3.125 213 HH12 ARG 26 2HH1 ARG 26 10.381 7.870 2.129 214 HH21 ARG 26 1HH2 ARG 26 8.554 10.802 1.587 215 HH22 ARG 26 2HH2 ARG 26 10.034 9.953 1.256 216 H GLN 27 H GLN 27 4.977 8.086 -0.668 217 HA GLN 27 HA GLN 27 3.897 10.602 -0.202 218 HB2 GLN 27 2HB GLN 27 4.331 9.295 -2.928 219 HB3 GLN 27 3HB GLN 27 4.197 11.024 -2.627 220 HG2 GLN 27 2HG GLN 27 6.431 9.231 -1.638 221 HG3 GLN 27 3HG GLN 27 6.523 10.311 -3.024 222 HE21 GLN 27 1HE2 GLN 27 8.163 10.263 -0.610 223 HE22 GLN 27 2HE2 GLN 27 8.013 11.830 0.100 224 H LEU 28 H LEU 28 2.512 7.785 -1.829 225 HA LEU 28 HA LEU 28 0.151 9.034 -2.811 226 HB2 LEU 28 2HB LEU 28 1.142 6.983 -3.805 227 HB3 LEU 28 3HB LEU 28 0.741 6.090 -2.348 228 HG LEU 28 HG LEU 28 -1.691 6.451 -2.793 229 HD11 LEU 28 1HD1 LEU 28 -2.464 7.360 -4.926 230 HD12 LEU 28 2HD1 LEU 28 -0.807 7.765 -5.379 231 HD13 LEU 28 3HD1 LEU 28 -1.572 8.572 -4.007 232 HD21 LEU 28 1HD2 LEU 28 -0.224 5.205 -5.132 233 HD22 LEU 28 2HD2 LEU 28 -1.901 4.906 -4.663 234 HD23 LEU 28 3HD2 LEU 28 -0.588 4.412 -3.596 235 H PHE 29 H PHE 29 0.875 7.077 0.099 236 HA PHE 29 HA PHE 29 -1.800 6.908 1.054 237 HB2 PHE 29 2HB PHE 29 0.865 6.591 2.492 238 HB3 PHE 29 3HB PHE 29 -0.679 6.381 3.306 239 HD1 PHE 29 HD1 PHE 29 -2.294 4.837 1.453 240 HD2 PHE 29 HD2 PHE 29 1.884 4.467 2.332 241 HE1 PHE 29 HE1 PHE 29 -2.351 2.469 0.797 242 HE2 PHE 29 HE2 PHE 29 1.806 2.095 1.681 243 HZ PHE 29 HZ PHE 29 -0.309 1.099 0.913 244 H GLU 30 H GLU 30 0.836 9.212 1.540 245 HA GLU 30 HA GLU 30 -0.380 10.911 3.467 246 HB2 GLU 30 2HB GLU 30 1.755 11.472 1.357 247 HB3 GLU 30 3HB GLU 30 1.273 12.643 2.584 248 HG2 GLU 30 2HG GLU 30 2.093 11.195 4.368 249 HG3 GLU 30 3HG GLU 30 2.442 9.911 3.209 250 H GLU 31 H GLU 31 -0.390 10.844 -0.073 251 HA GLU 31 HA GLU 31 -1.828 13.198 -0.616 252 HB2 GLU 31 2HB GLU 31 -0.587 11.912 -2.333 253 HB3 GLU 31 3HB GLU 31 -1.721 10.578 -2.178 254 HG2 GLU 31 2HG GLU 31 -2.219 11.819 -4.199 255 HG3 GLU 31 3HG GLU 31 -3.538 12.044 -3.052 256 H LEU 32 H LEU 32 -2.915 9.864 -0.020 257 HA LEU 32 HA LEU 32 -5.716 10.465 -0.441 258 HB2 LEU 32 2HB LEU 32 -4.349 7.963 0.616 259 HB3 LEU 32 3HB LEU 32 -6.037 8.070 0.128 260 HG LEU 32 HG LEU 32 -3.679 8.526 -1.745 261 HD11 LEU 32 1HD1 LEU 32 -4.204 6.346 -2.747 262 HD12 LEU 32 2HD1 LEU 32 -5.390 6.045 -1.472 263 HD13 LEU 32 3HD1 LEU 32 -3.679 6.205 -1.069 264 HD21 LEU 32 1HD2 LEU 32 -6.637 8.280 -2.371 265 HD22 LEU 32 2HD2 LEU 32 -5.333 8.424 -3.552 266 HD23 LEU 32 3HD2 LEU 32 -5.666 9.754 -2.448 267 H HIS 33 H HIS 33 -3.531 10.432 2.230 268 HA HIS 33 HA HIS 33 -5.140 9.895 4.441 269 HB2 HIS 33 2HB HIS 33 -2.674 10.031 4.549 270 HB3 HIS 33 3HB HIS 33 -2.731 11.760 4.236 271 HD1 HIS 33 HD1 HIS 33 -2.103 12.905 6.349 272 HD2 HIS 33 HD2 HIS 33 -4.533 9.620 7.062 273 HE1 HIS 33 HE1 HIS 33 -2.412 12.819 8.832 274 HE2 HIS 33 HE2 HIS 33 -4.009 10.922 9.219 275 H GLU 34 H GLU 34 -4.651 12.957 2.688 276 HA GLU 34 HA GLU 34 -5.856 14.651 4.623 277 HB2 GLU 34 2HB GLU 34 -5.900 16.390 2.858 278 HB3 GLU 34 3HB GLU 34 -4.332 15.597 2.965 279 HG2 GLU 34 2HG GLU 34 -4.734 14.343 0.960 280 HG3 GLU 34 3HG GLU 34 -6.423 14.830 0.911 281 H ARG 35 H ARG 35 -7.305 12.598 2.156 282 HA ARG 35 HA ARG 35 -9.939 13.895 2.647 283 HB2 ARG 35 2HB ARG 35 -10.809 12.448 0.766 284 HB3 ARG 35 3HB ARG 35 -9.688 13.711 0.303 285 HG2 ARG 35 2HG ARG 35 -8.587 10.948 0.744 286 HG3 ARG 35 3HG ARG 35 -9.536 11.246 -0.713 287 HD2 ARG 35 2HD ARG 35 -7.049 12.786 0.124 288 HD3 ARG 35 3HD ARG 35 -7.124 11.532 -1.117 289 HE ARG 35 HE ARG 35 -9.001 13.435 -1.831 290 HH11 ARG 35 1HH1 ARG 35 -5.513 13.378 -1.442 291 HH12 ARG 35 2HH1 ARG 35 -5.239 14.612 -2.621 292 HH21 ARG 35 1HH2 ARG 35 -8.628 15.047 -3.380 293 HH22 ARG 35 2HH2 ARG 35 -7.001 15.554 -3.720 294 H GLY 36 H GLY 36 -8.057 11.157 3.461 295 HA2 GLY 36 2HA GLY 36 -8.364 9.494 4.989 296 HA3 GLY 36 3HA GLY 36 -9.705 10.440 5.608 297 H THR 37 H THR 37 -9.597 9.175 2.345 298 HA THR 37 HA THR 37 -12.025 7.630 2.724 299 HB THR 37 HB THR 37 -11.800 8.884 0.641 300 HG1 THR 37 HG1 THR 37 -12.826 6.733 0.637 301 HG21 THR 37 1HG2 THR 37 -9.343 8.898 0.399 302 HG22 THR 37 2HG2 THR 37 -10.119 8.334 -1.083 303 HG23 THR 37 3HG2 THR 37 -9.365 7.175 0.013 304 H GLU 38 H GLU 38 -12.184 5.349 2.323 305 HA GLU 38 HA GLU 38 -10.144 3.917 3.668 306 HB2 GLU 38 2HB GLU 38 -11.635 1.888 3.247 307 HB3 GLU 38 3HB GLU 38 -12.321 3.219 4.170 308 HG2 GLU 38 2HG GLU 38 -13.434 3.989 2.001 309 HG3 GLU 38 3HG GLU 38 -12.939 2.444 1.308 310 H ILE 39 H ILE 39 -8.407 3.109 2.924 311 HA ILE 39 HA ILE 39 -7.870 2.761 0.061 312 HB ILE 39 HB ILE 39 -5.949 2.793 2.445 313 HG12 ILE 39 2HG1 ILE 39 -6.506 5.056 0.466 314 HG13 ILE 39 3HG1 ILE 39 -7.152 4.988 2.102 315 HG21 ILE 39 1HG2 ILE 39 -5.022 1.582 0.513 316 HG22 ILE 39 2HG2 ILE 39 -4.167 3.105 0.756 317 HG23 ILE 39 3HG2 ILE 39 -5.361 2.964 -0.535 318 HD11 ILE 39 1HD1 ILE 39 -5.265 6.465 2.016 319 HD12 ILE 39 2HD1 ILE 39 -4.239 5.202 1.339 320 HD13 ILE 39 3HD1 ILE 39 -4.854 5.054 2.989 321 H VAL 40 H VAL 40 -7.659 0.742 -0.782 322 HA VAL 40 HA VAL 40 -7.372 -1.608 0.989 323 HB VAL 40 HB VAL 40 -8.164 -1.606 -1.961 324 HG11 VAL 40 1HG1 VAL 40 -8.897 -3.933 -1.530 325 HG12 VAL 40 2HG1 VAL 40 -8.318 -3.807 0.132 326 HG13 VAL 40 3HG1 VAL 40 -7.173 -3.727 -1.208 327 HG21 VAL 40 1HG2 VAL 40 -9.997 -1.770 0.458 328 HG22 VAL 40 2HG2 VAL 40 -10.490 -1.977 -1.225 329 HG23 VAL 40 3HG2 VAL 40 -9.883 -0.415 -0.671 330 H VAL 41 H VAL 41 -5.283 -2.058 1.221 331 HA VAL 41 HA VAL 41 -3.316 -1.726 -0.925 332 HB VAL 41 HB VAL 41 -3.007 -2.628 1.984 333 HG11 VAL 41 1HG1 VAL 41 -1.202 -3.546 0.592 334 HG12 VAL 41 2HG1 VAL 41 -0.584 -2.291 1.667 335 HG13 VAL 41 3HG1 VAL 41 -0.851 -1.935 -0.041 336 HG21 VAL 41 1HG2 VAL 41 -2.411 0.065 0.704 337 HG22 VAL 41 2HG2 VAL 41 -2.063 -0.375 2.378 338 HG23 VAL 41 3HG2 VAL 41 -3.736 -0.289 1.819 339 H GLU 42 H GLU 42 -3.204 -3.392 -2.328 340 HA GLU 42 HA GLU 42 -3.857 -6.137 -1.417 341 HB2 GLU 42 2HB GLU 42 -5.634 -5.154 -2.806 342 HB3 GLU 42 3HB GLU 42 -4.468 -4.729 -4.054 343 HG2 GLU 42 2HG GLU 42 -5.878 -6.723 -4.584 344 HG3 GLU 42 3HG GLU 42 -4.142 -7.015 -4.658 345 H VAL 43 H VAL 43 -1.949 -7.142 -1.250 346 HA VAL 43 HA VAL 43 0.291 -6.562 -3.035 347 HB VAL 43 HB VAL 43 0.275 -8.255 -0.471 348 HG11 VAL 43 1HG1 VAL 43 2.718 -7.896 -0.482 349 HG12 VAL 43 2HG1 VAL 43 2.592 -7.029 -2.015 350 HG13 VAL 43 3HG1 VAL 43 2.186 -8.745 -1.936 351 HG21 VAL 43 1HG2 VAL 43 -0.418 -5.948 0.047 352 HG22 VAL 43 2HG2 VAL 43 1.012 -5.318 -0.776 353 HG23 VAL 43 3HG2 VAL 43 1.194 -6.286 0.689 354 H HIS 44 H HIS 44 0.037 -7.693 -4.856 355 HA HIS 44 HA HIS 44 -0.623 -10.556 -4.906 356 HB2 HIS 44 2HB HIS 44 -0.367 -8.484 -7.136 357 HB3 HIS 44 3HB HIS 44 -0.663 -10.192 -7.430 358 HD1 HIS 44 HD1 HIS 44 -2.603 -8.054 -8.433 359 HD2 HIS 44 HD2 HIS 44 -3.048 -10.037 -4.823 360 HE1 HIS 44 HE1 HIS 44 -5.051 -7.971 -7.927 361 HE2 HIS 44 HE2 HIS 44 -5.309 -9.381 -5.859 362 H ILE 45 H ILE 45 1.140 -11.851 -4.647 363 HA ILE 45 HA ILE 45 3.576 -11.299 -6.257 364 HB ILE 45 HB ILE 45 3.662 -12.445 -3.425 365 HG12 ILE 45 2HG1 ILE 45 4.515 -9.658 -4.331 366 HG13 ILE 45 3HG1 ILE 45 3.080 -10.015 -3.376 367 HG21 ILE 45 1HG2 ILE 45 5.921 -11.640 -5.306 368 HG22 ILE 45 2HG2 ILE 45 5.458 -13.292 -4.892 369 HG23 ILE 45 3HG2 ILE 45 6.125 -12.228 -3.654 370 HD11 ILE 45 1HD1 ILE 45 5.936 -10.462 -2.502 371 HD12 ILE 45 2HD1 ILE 45 4.492 -10.823 -1.551 372 HD13 ILE 45 3HD1 ILE 45 4.866 -9.158 -1.990 373 H ASN 46 H ASN 46 3.847 -12.922 -7.649 374 HA ASN 46 HA ASN 46 3.984 -14.935 -8.649 375 HB2 ASN 46 2HB ASN 46 4.298 -15.948 -5.797 376 HB3 ASN 46 3HB ASN 46 4.715 -16.860 -7.241 377 HD21 ASN 46 1HD2 ASN 46 5.872 -14.503 -8.629 378 HD22 ASN 46 2HD2 ASN 46 7.378 -14.213 -7.843 379 H GLY 47 H GLY 47 1.346 -14.026 -8.215 380 HA2 GLY 47 2HA GLY 47 -0.688 -14.906 -8.955 381 HA3 GLY 47 3HA GLY 47 -0.108 -16.532 -8.634 382 H GLU 48 H GLU 48 0.631 -15.063 -5.845 383 HA GLU 48 HA GLU 48 -1.864 -15.819 -4.507 384 HB2 GLU 48 2HB GLU 48 0.897 -15.068 -3.457 385 HB3 GLU 48 3HB GLU 48 -0.487 -15.310 -2.395 386 HG2 GLU 48 2HG GLU 48 -0.695 -17.642 -3.274 387 HG3 GLU 48 3HG GLU 48 0.783 -17.385 -4.205 388 H ARG 49 H ARG 49 -3.053 -14.446 -3.232 389 HA ARG 49 HA ARG 49 -2.764 -11.533 -3.631 390 HB2 ARG 49 2HB ARG 49 -4.899 -11.934 -4.433 391 HB3 ARG 49 3HB ARG 49 -5.099 -13.415 -3.511 392 HG2 ARG 49 2HG ARG 49 -5.688 -12.149 -1.511 393 HG3 ARG 49 3HG ARG 49 -5.348 -10.629 -2.334 394 HD2 ARG 49 2HD ARG 49 -7.221 -10.978 -3.847 395 HD3 ARG 49 3HD ARG 49 -7.512 -12.585 -3.175 396 HE ARG 49 HE ARG 49 -7.996 -10.003 -1.806 397 HH11 ARG 49 1HH1 ARG 49 -8.502 -13.483 -1.975 398 HH12 ARG 49 2HH1 ARG 49 -9.725 -13.488 -0.747 399 HH21 ARG 49 1HH2 ARG 49 -9.633 -10.028 -0.213 400 HH22 ARG 49 2HH2 ARG 49 -10.365 -11.532 0.251 401 H ASP 50 H ASP 50 -2.704 -10.159 -1.857 402 HA ASP 50 HA ASP 50 -3.286 -11.220 0.851 403 HB2 ASP 50 2HB ASP 50 -0.809 -11.214 0.558 404 HB3 ASP 50 3HB ASP 50 -0.880 -9.532 0.052 405 H GLU 51 H GLU 51 -4.978 -10.016 1.468 406 HA GLU 51 HA GLU 51 -5.370 -7.283 0.407 407 HB2 GLU 51 2HB GLU 51 -7.161 -8.950 -0.076 408 HB3 GLU 51 3HB GLU 51 -7.404 -9.188 1.654 409 HG2 GLU 51 2HG GLU 51 -8.040 -6.762 1.851 410 HG3 GLU 51 3HG GLU 51 -7.897 -6.620 0.100 411 H ILE 52 H ILE 52 -4.970 -5.648 1.757 412 HA ILE 52 HA ILE 52 -5.547 -5.872 4.663 413 HB ILE 52 HB ILE 52 -3.168 -4.362 3.435 414 HG12 ILE 52 2HG1 ILE 52 -3.075 -6.910 5.122 415 HG13 ILE 52 3HG1 ILE 52 -2.873 -6.869 3.376 416 HG21 ILE 52 1HG2 ILE 52 -4.050 -3.276 5.467 417 HG22 ILE 52 2HG2 ILE 52 -2.463 -3.977 5.781 418 HG23 ILE 52 3HG2 ILE 52 -3.917 -4.796 6.357 419 HD11 ILE 52 1HD1 ILE 52 -1.054 -5.544 5.382 420 HD12 ILE 52 2HD1 ILE 52 -0.861 -5.530 3.625 421 HD13 ILE 52 3HD1 ILE 52 -0.751 -7.048 4.512 422 H ARG 53 H ARG 53 -7.359 -4.579 4.822 423 HA ARG 53 HA ARG 53 -7.521 -2.080 3.242 424 HB2 ARG 53 2HB ARG 53 -9.765 -3.402 4.830 425 HB3 ARG 53 3HB ARG 53 -9.912 -2.074 3.682 426 HG2 ARG 53 2HG ARG 53 -9.169 -3.677 1.865 427 HG3 ARG 53 3HG ARG 53 -9.260 -4.975 3.060 428 HD2 ARG 53 2HD ARG 53 -11.327 -5.047 1.879 429 HD3 ARG 53 3HD ARG 53 -11.706 -4.280 3.422 430 HE ARG 53 HE ARG 53 -11.446 -2.905 0.813 431 HH11 ARG 53 1HH1 ARG 53 -12.694 -2.863 4.104 432 HH12 ARG 53 2HH1 ARG 53 -13.617 -1.419 3.858 433 HH21 ARG 53 1HH2 ARG 53 -12.637 -1.003 0.516 434 HH22 ARG 53 2HH2 ARG 53 -13.583 -0.365 1.819 435 H VAL 54 H VAL 54 -7.707 -0.134 4.221 436 HA VAL 54 HA VAL 54 -8.054 0.158 7.130 437 HB VAL 54 HB VAL 54 -6.271 2.048 7.050 438 HG11 VAL 54 1HG1 VAL 54 -5.291 -0.818 6.776 439 HG12 VAL 54 2HG1 VAL 54 -5.880 -0.060 8.259 440 HG13 VAL 54 3HG1 VAL 54 -4.396 0.521 7.502 441 HG21 VAL 54 1HG2 VAL 54 -4.499 1.831 5.324 442 HG22 VAL 54 2HG2 VAL 54 -6.062 2.193 4.590 443 HG23 VAL 54 3HG2 VAL 54 -5.421 0.548 4.532 444 H ARG 55 H ARG 55 -8.967 2.231 7.694 445 HA ARG 55 HA ARG 55 -10.291 3.589 5.414 446 HB2 ARG 55 2HB ARG 55 -11.162 3.604 8.330 447 HB3 ARG 55 3HB ARG 55 -12.051 4.251 6.952 448 HG2 ARG 55 2HG ARG 55 -12.035 1.815 6.034 449 HG3 ARG 55 3HG ARG 55 -11.540 1.349 7.665 450 HD2 ARG 55 2HD ARG 55 -13.933 1.097 7.506 451 HD3 ARG 55 3HD ARG 55 -13.605 2.493 8.541 452 HE ARG 55 HE ARG 55 -14.172 2.901 5.669 453 HH11 ARG 55 1HH1 ARG 55 -15.194 3.368 9.015 454 HH12 ARG 55 2HH1 ARG 55 -16.427 4.514 8.596 455 HH21 ARG 55 1HH2 ARG 55 -15.764 4.375 5.134 456 HH22 ARG 55 2HH2 ARG 55 -16.751 5.089 6.373 457 H ASN 56 H ASN 56 -9.319 4.552 8.740 458 HA ASN 56 HA ASN 56 -8.048 7.006 7.643 459 HB2 ASN 56 2HB ASN 56 -9.692 6.607 10.164 460 HB3 ASN 56 3HB ASN 56 -8.494 7.887 10.093 461 HD21 ASN 56 1HD2 ASN 56 -10.477 6.941 7.309 462 HD22 ASN 56 2HD2 ASN 56 -11.386 8.394 7.258 463 H ILE 57 H ILE 57 -5.964 6.497 7.538 464 HA ILE 57 HA ILE 57 -4.596 5.441 9.948 465 HB ILE 57 HB ILE 57 -2.737 4.844 8.021 466 HG12 ILE 57 2HG1 ILE 57 -3.939 3.670 6.106 467 HG13 ILE 57 3HG1 ILE 57 -5.426 4.459 6.605 468 HG21 ILE 57 1HG2 ILE 57 -3.545 3.321 9.758 469 HG22 ILE 57 2HG2 ILE 57 -3.485 2.502 8.200 470 HG23 ILE 57 3HG2 ILE 57 -5.034 3.036 8.853 471 HD11 ILE 57 1HD1 ILE 57 -4.463 6.623 6.036 472 HD12 ILE 57 2HD1 ILE 57 -4.424 5.513 4.668 473 HD13 ILE 57 3HD1 ILE 57 -2.952 5.838 5.577 474 H SER 58 H SER 58 -3.303 6.826 10.919 475 HA SER 58 HA SER 58 -3.022 9.518 10.052 476 HB2 SER 58 2HB SER 58 -1.585 8.079 12.322 477 HB3 SER 58 3HB SER 58 -1.783 9.826 12.150 478 HG SER 58 HG SER 58 -4.019 8.125 12.198 479 H LYS 59 H LYS 59 -0.561 10.522 10.484 480 HA LYS 59 HA LYS 59 0.566 10.112 7.929 481 HB2 LYS 59 2HB LYS 59 2.258 11.814 8.576 482 HB3 LYS 59 3HB LYS 59 0.627 12.302 8.992 483 HG2 LYS 59 2HG LYS 59 1.761 12.982 10.886 484 HG3 LYS 59 3HG LYS 59 1.250 11.367 11.382 485 HD2 LYS 59 2HD LYS 59 3.510 10.505 10.710 486 HD3 LYS 59 3HD LYS 59 4.006 12.162 10.353 487 HE2 LYS 59 2HE LYS 59 3.087 11.141 13.057 488 HE3 LYS 59 3HE LYS 59 4.765 11.378 12.583 489 HZ1 LYS 59 1HZ LYS 59 2.710 13.515 12.794 490 HZ2 LYS 59 2HZ LYS 59 4.324 13.746 12.354 491 HZ3 LYS 59 3HZ LYS 59 3.939 13.213 13.909 492 H GLU 60 H GLU 60 1.672 8.907 11.075 493 HA GLU 60 HA GLU 60 3.954 7.516 9.863 494 HB2 GLU 60 2HB GLU 60 4.657 6.897 12.076 495 HB3 GLU 60 3HB GLU 60 4.219 8.597 12.115 496 HG2 GLU 60 2HG GLU 60 2.412 6.362 13.087 497 HG3 GLU 60 3HG GLU 60 3.507 7.254 14.128 498 H GLU 61 H GLU 61 0.749 6.889 11.063 499 HA GLU 61 HA GLU 61 0.897 4.074 11.329 500 HB2 GLU 61 2HB GLU 61 -0.788 5.620 12.390 501 HB3 GLU 61 3HB GLU 61 -1.580 5.767 10.827 502 HG2 GLU 61 2HG GLU 61 -2.768 4.180 12.245 503 HG3 GLU 61 3HG GLU 61 -2.081 3.353 10.848 504 H LEU 62 H LEU 62 0.296 6.135 8.557 505 HA LEU 62 HA LEU 62 -0.784 4.129 6.845 506 HB2 LEU 62 2HB LEU 62 -0.448 5.754 5.022 507 HB3 LEU 62 3HB LEU 62 -1.283 6.437 6.399 508 HG LEU 62 HG LEU 62 1.044 7.461 7.048 509 HD11 LEU 62 1HD1 LEU 62 2.583 7.940 5.206 510 HD12 LEU 62 2HD1 LEU 62 1.610 6.955 4.113 511 HD13 LEU 62 3HD1 LEU 62 2.442 6.200 5.465 512 HD21 LEU 62 1HD2 LEU 62 0.640 9.444 5.662 513 HD22 LEU 62 2HD2 LEU 62 -0.862 8.805 6.326 514 HD23 LEU 62 3HD2 LEU 62 -0.455 8.513 4.633 515 H LYS 63 H LYS 63 2.408 5.121 7.764 516 HA LYS 63 HA LYS 63 3.873 3.814 5.703 517 HB2 LYS 63 2HB LYS 63 4.820 4.500 8.515 518 HB3 LYS 63 3HB LYS 63 5.846 4.095 7.139 519 HG2 LYS 63 2HG LYS 63 4.992 6.150 5.973 520 HG3 LYS 63 3HG LYS 63 4.120 6.579 7.450 521 HD2 LYS 63 2HD LYS 63 7.139 6.308 7.124 522 HD3 LYS 63 3HD LYS 63 6.239 7.806 7.360 523 HE2 LYS 63 2HE LYS 63 5.606 7.094 9.625 524 HE3 LYS 63 3HE LYS 63 6.420 5.548 9.391 525 HZ1 LYS 63 1HZ LYS 63 7.710 8.220 9.474 526 HZ2 LYS 63 2HZ LYS 63 8.513 6.770 9.148 527 HZ3 LYS 63 3HZ LYS 63 7.801 7.016 10.657 528 H LYS 64 H LYS 64 2.218 2.675 8.526 529 HA LYS 64 HA LYS 64 3.616 0.214 8.898 530 HB2 LYS 64 2HB LYS 64 0.750 0.933 9.659 531 HB3 LYS 64 3HB LYS 64 1.689 -0.406 10.314 532 HG2 LYS 64 2HG LYS 64 2.368 2.536 10.653 533 HG3 LYS 64 3HG LYS 64 1.540 1.550 11.856 534 HD2 LYS 64 2HD LYS 64 4.350 0.974 10.824 535 HD3 LYS 64 3HD LYS 64 3.998 1.889 12.292 536 HE2 LYS 64 2HE LYS 64 2.893 -0.059 13.284 537 HE3 LYS 64 3HE LYS 64 3.138 -0.979 11.800 538 HZ1 LYS 64 1HZ LYS 64 5.240 0.027 13.621 539 HZ2 LYS 64 2HZ LYS 64 5.543 -0.725 12.142 540 HZ3 LYS 64 3HZ LYS 64 4.789 -1.582 13.386 541 H LEU 65 H LEU 65 1.232 1.343 6.612 542 HA LEU 65 HA LEU 65 0.225 -1.200 5.753 543 HB2 LEU 65 2HB LEU 65 0.219 1.585 4.540 544 HB3 LEU 65 3HB LEU 65 -0.299 0.232 3.570 545 HG LEU 65 HG LEU 65 -2.262 1.276 4.469 546 HD11 LEU 65 1HD1 LEU 65 -2.338 -1.173 4.360 547 HD12 LEU 65 2HD1 LEU 65 -3.330 -0.553 5.671 548 HD13 LEU 65 3HD1 LEU 65 -1.764 -1.283 6.028 549 HD21 LEU 65 1HD2 LEU 65 -1.228 2.480 6.334 550 HD22 LEU 65 2HD2 LEU 65 -1.076 0.974 7.243 551 HD23 LEU 65 3HD2 LEU 65 -2.674 1.614 6.851 552 H LEU 66 H LEU 66 2.635 1.020 4.348 553 HA LEU 66 HA LEU 66 3.550 -0.827 2.387 554 HB2 LEU 66 2HB LEU 66 5.377 0.820 2.007 555 HB3 LEU 66 3HB LEU 66 3.759 1.488 1.927 556 HG LEU 66 HG LEU 66 4.314 2.096 4.521 557 HD11 LEU 66 1HD1 LEU 66 6.587 1.123 4.477 558 HD12 LEU 66 2HD1 LEU 66 6.578 2.841 4.867 559 HD13 LEU 66 3HD1 LEU 66 7.053 2.308 3.251 560 HD21 LEU 66 1HD2 LEU 66 4.873 4.359 3.817 561 HD22 LEU 66 2HD2 LEU 66 3.554 3.691 2.858 562 HD23 LEU 66 3HD2 LEU 66 5.179 3.788 2.172 563 H GLU 67 H GLU 67 4.303 -0.381 5.723 564 HA GLU 67 HA GLU 67 6.732 -1.826 5.843 565 HB2 GLU 67 2HB GLU 67 5.730 -0.340 7.665 566 HB3 GLU 67 3HB GLU 67 4.589 -1.642 8.006 567 HG2 GLU 67 2HG GLU 67 6.600 -3.136 8.377 568 HG3 GLU 67 3HG GLU 67 7.588 -1.685 8.289 569 H ARG 68 H ARG 68 3.273 -2.777 6.188 570 HA ARG 68 HA ARG 68 3.651 -5.524 6.649 571 HB2 ARG 68 2HB ARG 68 1.354 -4.096 5.253 572 HB3 ARG 68 3HB ARG 68 1.323 -5.803 5.670 573 HG2 ARG 68 2HG ARG 68 1.423 -3.475 7.601 574 HG3 ARG 68 3HG ARG 68 0.050 -4.527 7.273 575 HD2 ARG 68 2HD ARG 68 0.896 -5.344 9.300 576 HD3 ARG 68 3HD ARG 68 1.582 -6.453 8.109 577 HE ARG 68 HE ARG 68 3.225 -4.166 8.861 578 HH11 ARG 68 1HH1 ARG 68 2.633 -7.598 9.350 579 HH12 ARG 68 2HH1 ARG 68 4.179 -7.871 10.088 580 HH21 ARG 68 1HH2 ARG 68 5.199 -4.520 9.922 581 HH22 ARG 68 2HH2 ARG 68 5.630 -6.130 10.410 582 H ILE 69 H ILE 69 3.535 -3.663 3.675 583 HA ILE 69 HA ILE 69 3.491 -5.757 1.780 584 HB ILE 69 HB ILE 69 4.628 -2.934 1.526 585 HG12 ILE 69 2HG1 ILE 69 1.866 -3.981 0.752 586 HG13 ILE 69 3HG1 ILE 69 2.216 -3.045 2.200 587 HG21 ILE 69 1HG2 ILE 69 4.356 -3.193 -0.925 588 HG22 ILE 69 2HG2 ILE 69 3.870 -4.873 -0.691 589 HG23 ILE 69 3HG2 ILE 69 5.506 -4.366 -0.272 590 HD11 ILE 69 1HD1 ILE 69 2.958 -1.181 0.751 591 HD12 ILE 69 2HD1 ILE 69 1.264 -1.615 0.570 592 HD13 ILE 69 3HD1 ILE 69 2.432 -2.115 -0.650 593 H ARG 70 H ARG 70 6.209 -3.915 3.250 594 HA ARG 70 HA ARG 70 8.236 -5.121 1.706 595 HB2 ARG 70 2HB ARG 70 9.835 -4.019 3.007 596 HB3 ARG 70 3HB ARG 70 8.427 -2.978 3.147 597 HG2 ARG 70 2HG ARG 70 7.945 -3.912 5.368 598 HG3 ARG 70 3HG ARG 70 9.330 -4.986 5.226 599 HD2 ARG 70 2HD ARG 70 10.799 -2.953 5.084 600 HD3 ARG 70 3HD ARG 70 9.371 -1.959 5.419 601 HE ARG 70 HE ARG 70 9.580 -3.971 7.379 602 HH11 ARG 70 1HH1 ARG 70 11.227 -1.010 6.433 603 HH12 ARG 70 2HH1 ARG 70 11.817 -0.687 8.033 604 HH21 ARG 70 1HH2 ARG 70 10.414 -3.589 9.446 605 HH22 ARG 70 2HH2 ARG 70 11.354 -2.161 9.751 606 H GLU 71 H GLU 71 6.688 -6.080 4.727 607 HA GLU 71 HA GLU 71 8.377 -8.159 5.537 608 HB2 GLU 71 2HB GLU 71 5.332 -8.129 5.770 609 HB3 GLU 71 3HB GLU 71 6.436 -9.116 6.724 610 HG2 GLU 71 2HG GLU 71 6.051 -6.133 6.825 611 HG3 GLU 71 3HG GLU 71 5.681 -7.304 8.082 612 H LYS 72 H LYS 72 5.777 -8.049 3.117 613 HA LYS 72 HA LYS 72 5.663 -10.901 2.728 614 HB2 LYS 72 2HB LYS 72 4.525 -8.795 0.825 615 HB3 LYS 72 3HB LYS 72 4.043 -10.484 0.966 616 HG2 LYS 72 2HG LYS 72 3.480 -8.208 2.870 617 HG3 LYS 72 3HG LYS 72 2.318 -9.219 2.011 618 HD2 LYS 72 2HD LYS 72 2.814 -11.128 3.450 619 HD3 LYS 72 3HD LYS 72 4.179 -10.281 4.187 620 HE2 LYS 72 2HE LYS 72 2.394 -10.168 5.779 621 HE3 LYS 72 3HE LYS 72 2.507 -8.568 5.047 622 HZ1 LYS 72 1HZ LYS 72 0.217 -9.347 5.277 623 HZ2 LYS 72 2HZ LYS 72 0.552 -10.641 4.242 624 HZ3 LYS 72 3HZ LYS 72 0.647 -9.056 3.670 625 H ILE 73 H ILE 73 7.011 -8.137 0.899 626 HA ILE 73 HA ILE 73 7.819 -9.665 -1.350 627 HB ILE 73 HB ILE 73 9.009 -7.691 -2.161 628 HG12 ILE 73 2HG1 ILE 73 8.792 -5.515 -0.567 629 HG13 ILE 73 3HG1 ILE 73 8.883 -6.718 0.707 630 HG21 ILE 73 1HG2 ILE 73 6.403 -6.902 -0.800 631 HG22 ILE 73 2HG2 ILE 73 6.559 -7.724 -2.355 632 HG23 ILE 73 3HG2 ILE 73 7.144 -6.070 -2.174 633 HD11 ILE 73 1HD1 ILE 73 10.950 -6.208 -1.423 634 HD12 ILE 73 2HD1 ILE 73 11.068 -7.427 -0.151 635 HD13 ILE 73 3HD1 ILE 73 11.030 -5.717 0.267 636 H GLU 74 H GLU 74 9.452 -8.873 1.675 637 HA GLU 74 HA GLU 74 12.040 -9.937 0.934 638 HB2 GLU 74 2HB GLU 74 10.872 -9.145 3.641 639 HB3 GLU 74 3HB GLU 74 12.533 -9.701 3.424 640 HG2 GLU 74 2HG GLU 74 12.988 -7.779 1.937 641 HG3 GLU 74 3HG GLU 74 11.324 -7.235 2.125 642 H ARG 75 H ARG 75 9.191 -11.130 2.712 643 HA ARG 75 HA ARG 75 10.225 -13.577 3.658 644 HB2 ARG 75 2HB ARG 75 8.090 -12.492 4.417 645 HB3 ARG 75 3HB ARG 75 7.352 -12.919 2.877 646 HG2 ARG 75 2HG ARG 75 7.847 -15.363 3.489 647 HG3 ARG 75 3HG ARG 75 8.236 -14.770 5.106 648 HD2 ARG 75 2HD ARG 75 5.928 -15.545 5.063 649 HD3 ARG 75 3HD ARG 75 5.944 -13.785 5.256 650 HE ARG 75 HE ARG 75 5.765 -14.652 2.519 651 HH11 ARG 75 1HH1 ARG 75 3.809 -13.939 5.356 652 HH12 ARG 75 2HH1 ARG 75 2.374 -13.646 4.427 653 HH21 ARG 75 1HH2 ARG 75 3.898 -14.312 1.333 654 HH22 ARG 75 2HH2 ARG 75 2.427 -13.858 2.138 655 H GLU 76 H GLU 76 8.579 -12.726 0.635 656 HA GLU 76 HA GLU 76 8.441 -15.353 -0.463 657 HB2 GLU 76 2HB GLU 76 8.342 -12.647 -1.877 658 HB3 GLU 76 3HB GLU 76 7.883 -14.188 -2.593 659 HG2 GLU 76 2HG GLU 76 6.484 -12.735 -0.337 660 HG3 GLU 76 3HG GLU 76 5.896 -12.969 -1.976 661 H GLY 77 H GLY 77 10.674 -12.600 -0.807 662 HA2 GLY 77 2HA GLY 77 12.910 -12.574 -1.398 663 HA3 GLY 77 3HA GLY 77 12.844 -14.291 -1.766 664 H SER 78 H SER 78 10.399 -13.754 -3.481 665 HA SER 78 HA SER 78 11.693 -13.462 -5.994 666 HB2 SER 78 2HB SER 78 8.715 -13.543 -5.327 667 HB3 SER 78 3HB SER 78 9.434 -13.822 -6.916 668 HG SER 78 HG SER 78 8.864 -15.720 -5.565 669 H SER 79 H SER 79 11.798 -11.725 -7.310 670 HA SER 79 HA SER 79 11.249 -9.074 -6.353 671 HB2 SER 79 2HB SER 79 12.131 -9.971 -9.130 672 HB3 SER 79 3HB SER 79 12.269 -8.344 -8.455 673 HG SER 79 HG SER 79 13.839 -10.585 -8.038 674 H GLU 80 H GLU 80 9.451 -11.376 -8.189 675 HA GLU 80 HA GLU 80 7.868 -9.600 -9.779 676 HB2 GLU 80 2HB GLU 80 8.305 -12.019 -10.368 677 HB3 GLU 80 3HB GLU 80 7.277 -12.489 -9.016 678 HG2 GLU 80 2HG GLU 80 5.410 -11.125 -10.144 679 HG3 GLU 80 3HG GLU 80 6.459 -11.046 -11.559 680 H VAL 81 H VAL 81 7.099 -8.084 -8.286 681 HA VAL 81 HA VAL 81 4.940 -8.959 -6.458 682 HB VAL 81 HB VAL 81 5.618 -7.326 -4.782 683 HG11 VAL 81 1HG1 VAL 81 7.798 -8.264 -4.043 684 HG12 VAL 81 2HG1 VAL 81 8.012 -9.005 -5.631 685 HG13 VAL 81 3HG1 VAL 81 6.681 -9.517 -4.590 686 HG21 VAL 81 1HG2 VAL 81 7.923 -6.529 -6.609 687 HG22 VAL 81 2HG2 VAL 81 7.667 -5.947 -4.959 688 HG23 VAL 81 3HG2 VAL 81 6.510 -5.543 -6.227 689 H GLU 82 H GLU 82 3.167 -7.585 -6.318 690 HA GLU 82 HA GLU 82 2.996 -5.190 -8.017 691 HB2 GLU 82 2HB GLU 82 2.276 -7.087 -9.443 692 HB3 GLU 82 3HB GLU 82 1.107 -7.584 -8.219 693 HG2 GLU 82 2HG GLU 82 -0.031 -5.323 -8.531 694 HG3 GLU 82 3HG GLU 82 1.049 -5.043 -9.897 695 H VAL 83 H VAL 83 2.440 -3.729 -6.446 696 HA VAL 83 HA VAL 83 0.412 -4.400 -4.421 697 HB VAL 83 HB VAL 83 2.108 -1.864 -4.606 698 HG11 VAL 83 1HG1 VAL 83 0.428 -2.996 -2.332 699 HG12 VAL 83 2HG1 VAL 83 0.040 -1.575 -3.305 700 HG13 VAL 83 3HG1 VAL 83 1.441 -1.553 -2.233 701 HG21 VAL 83 1HG2 VAL 83 3.580 -3.822 -4.320 702 HG22 VAL 83 2HG2 VAL 83 2.629 -4.345 -2.927 703 HG23 VAL 83 3HG2 VAL 83 3.543 -2.837 -2.853 704 H ASN 84 H ASN 84 -1.598 -3.938 -4.973 705 HA ASN 84 HA ASN 84 -2.280 -1.809 -6.892 706 HB2 ASN 84 2HB ASN 84 -4.032 -4.091 -5.832 707 HB3 ASN 84 3HB ASN 84 -4.394 -3.022 -7.186 708 HD21 ASN 84 1HD2 ASN 84 -2.316 -5.659 -6.098 709 HD22 ASN 84 2HD2 ASN 84 -1.864 -6.196 -7.677 710 H VAL 85 H VAL 85 -2.555 0.030 -5.749 711 HA VAL 85 HA VAL 85 -3.812 0.024 -3.090 712 HB VAL 85 HB VAL 85 -2.484 2.320 -4.618 713 HG11 VAL 85 1HG1 VAL 85 -2.508 3.511 -2.438 714 HG12 VAL 85 2HG1 VAL 85 -3.398 2.169 -1.717 715 HG13 VAL 85 3HG1 VAL 85 -4.144 3.137 -2.990 716 HG21 VAL 85 1HG2 VAL 85 -0.847 0.563 -4.055 717 HG22 VAL 85 2HG2 VAL 85 -1.360 0.609 -2.366 718 HG23 VAL 85 3HG2 VAL 85 -0.567 2.013 -3.085 719 H HIS 86 H HIS 86 -5.980 0.024 -3.242 720 HA HIS 86 HA HIS 86 -7.424 1.578 -5.291 721 HB2 HIS 86 2HB HIS 86 -8.529 -0.329 -3.178 722 HB3 HIS 86 3HB HIS 86 -9.394 0.302 -4.573 723 HD1 HIS 86 HD1 HIS 86 -9.133 -0.955 -6.779 724 HD2 HIS 86 HD2 HIS 86 -6.612 -2.402 -3.805 725 HE1 HIS 86 HE1 HIS 86 -8.182 -3.101 -7.670 726 HE2 HIS 86 HE2 HIS 86 -6.848 -4.051 -5.770 727 H SER 87 H SER 87 -8.858 3.255 -4.621 728 HA SER 87 HA SER 87 -9.213 4.016 -1.860 729 HB2 SER 87 2HB SER 87 -6.878 4.815 -2.308 730 HB3 SER 87 3HB SER 87 -7.478 5.796 -3.646 731 HG SER 87 HG SER 87 -8.062 6.039 -0.890 732 H GLY 88 H GLY 88 -11.341 4.514 -1.992 733 HA2 GLY 88 2HA GLY 88 -13.346 5.386 -2.678 734 HA3 GLY 88 3HA GLY 88 -12.449 6.528 -3.669 735 H GLY 89 H GLY 89 -12.159 6.108 -5.847 736 HA2 GLY 89 2HA GLY 89 -13.056 3.513 -6.989 737 HA3 GLY 89 3HA GLY 89 -13.563 5.048 -7.693 738 H GLN 90 H GLN 90 -10.495 5.520 -6.541 739 HA GLN 90 HA GLN 90 -9.233 5.168 -9.174 740 HB2 GLN 90 2HB GLN 90 -8.395 6.669 -6.655 741 HB3 GLN 90 3HB GLN 90 -7.331 6.482 -8.046 742 HG2 GLN 90 2HG GLN 90 -8.929 7.710 -9.450 743 HG3 GLN 90 3HG GLN 90 -10.024 7.875 -8.082 744 HE21 GLN 90 1HE2 GLN 90 -7.965 8.470 -6.110 745 HE22 GLN 90 2HE2 GLN 90 -7.376 10.053 -6.465 746 H THR 91 H THR 91 -7.362 3.910 -9.481 747 HA THR 91 HA THR 91 -6.267 2.389 -7.221 748 HB THR 91 HB THR 91 -7.250 1.047 -9.781 749 HG1 THR 91 HG1 THR 91 -8.451 1.536 -7.415 750 HG21 THR 91 1HG2 THR 91 -5.826 -0.158 -7.368 751 HG22 THR 91 2HG2 THR 91 -5.135 0.005 -8.986 752 HG23 THR 91 3HG2 THR 91 -6.505 -1.077 -8.711 753 H TRP 92 H TRP 92 -4.138 2.372 -7.273 754 HA TRP 92 HA TRP 92 -2.635 2.965 -9.754 755 HB2 TRP 92 2HB TRP 92 -1.830 3.353 -6.826 756 HB3 TRP 92 3HB TRP 92 -0.831 3.750 -8.223 757 HD1 TRP 92 HD1 TRP 92 -1.341 6.045 -9.480 758 HE1 TRP 92 HE1 TRP 92 -2.831 8.058 -8.913 759 HE3 TRP 92 HE3 TRP 92 -4.123 3.978 -5.717 760 HZ2 TRP 92 HZ2 TRP 92 -4.907 8.696 -7.119 761 HZ3 TRP 92 HZ3 TRP 92 -5.840 5.354 -4.625 762 HH2 TRP 92 HH2 TRP 92 -6.226 7.668 -5.313 763 H THR 93 H THR 93 -1.762 1.164 -10.591 764 HA THR 93 HA THR 93 -1.174 -1.166 -8.880 765 HB THR 93 HB THR 93 -0.987 -2.395 -11.077 766 HG1 THR 93 HG1 THR 93 -0.653 -0.123 -12.175 767 HG21 THR 93 1HG2 THR 93 -3.396 -2.385 -11.628 768 HG22 THR 93 2HG2 THR 93 -3.613 -0.873 -10.741 769 HG23 THR 93 3HG2 THR 93 -3.165 -2.349 -9.880 770 H PHE 94 H PHE 94 0.803 -0.809 -7.970 771 HA PHE 94 HA PHE 94 3.126 0.016 -9.561 772 HB2 PHE 94 2HB PHE 94 2.933 -0.737 -6.599 773 HB3 PHE 94 3HB PHE 94 4.345 -0.055 -7.398 774 HD1 PHE 94 HD1 PHE 94 4.376 2.330 -8.095 775 HD2 PHE 94 HD2 PHE 94 1.052 0.679 -5.951 776 HE1 PHE 94 HE1 PHE 94 3.598 4.597 -7.536 777 HE2 PHE 94 HE2 PHE 94 0.286 2.945 -5.404 778 HZ PHE 94 HZ PHE 94 1.554 4.906 -6.194 779 H ASN 95 H ASN 95 3.926 -1.610 -10.792 780 HA ASN 95 HA ASN 95 4.292 -4.306 -9.606 781 HB2 ASN 95 2HB ASN 95 3.773 -5.254 -11.920 782 HB3 ASN 95 3HB ASN 95 2.395 -4.576 -11.064 783 HD21 ASN 95 1HD2 ASN 95 1.529 -2.573 -11.788 784 HD22 ASN 95 2HD2 ASN 95 1.809 -2.005 -13.393 785 H GLU 96 H GLU 96 6.351 -4.887 -9.614 786 HA GLU 96 HA GLU 96 8.381 -3.269 -10.850 787 HB2 GLU 96 2HB GLU 96 8.632 -5.913 -9.348 788 HB3 GLU 96 3HB GLU 96 9.979 -4.866 -9.787 789 HG2 GLU 96 2HG GLU 96 7.730 -4.192 -7.862 790 HG3 GLU 96 3HG GLU 96 9.386 -4.591 -7.426 791 H LYS 97 H LYS 97 10.075 -4.129 -12.228 792 HA LYS 97 HA LYS 97 8.916 -5.225 -14.613 793 HB2 LYS 97 2HB LYS 97 11.738 -4.291 -13.938 794 HB3 LYS 97 3HB LYS 97 11.203 -4.733 -15.558 795 HG2 LYS 97 2HG LYS 97 9.747 -2.861 -15.726 796 HG3 LYS 97 3HG LYS 97 9.785 -2.565 -13.987 797 HD2 LYS 97 2HD LYS 97 11.098 -0.892 -15.269 798 HD3 LYS 97 3HD LYS 97 12.086 -1.789 -14.113 799 HE2 LYS 97 2HE LYS 97 12.896 -3.228 -15.987 800 HE3 LYS 97 3HE LYS 97 11.953 -2.246 -17.113 801 HZ1 LYS 97 1HZ LYS 97 13.258 -0.347 -16.580 802 HZ2 LYS 97 2HZ LYS 97 14.323 -1.611 -16.939 803 HZ3 LYS 97 3HZ LYS 97 14.060 -1.160 -15.336 Start of MODEL 11 1 H1 MET 1 1H MET 1 39.079 8.182 -12.645 2 H2 MET 1 2H MET 1 39.427 8.778 -11.105 3 H3 MET 1 3H MET 1 40.597 8.838 -12.327 4 HA MET 1 HA MET 1 38.020 10.284 -12.349 5 HB2 MET 1 2HB MET 1 39.277 12.320 -11.904 6 HB3 MET 1 3HB MET 1 39.661 11.147 -10.651 7 HG2 MET 1 2HG MET 1 41.417 11.812 -13.032 8 HG3 MET 1 3HG MET 1 41.650 12.401 -11.388 9 HE1 MET 1 1HE MET 1 42.654 10.971 -9.423 10 HE2 MET 1 2HE MET 1 42.831 9.217 -9.477 11 HE3 MET 1 3HE MET 1 41.222 9.940 -9.496 12 H GLY 2 H GLY 2 38.173 12.118 -14.048 13 HA2 GLY 2 2HA GLY 2 38.904 13.033 -16.059 14 HA3 GLY 2 3HA GLY 2 39.993 11.678 -16.297 15 H HIS 3 H HIS 3 38.442 9.512 -16.274 16 HA HIS 3 HA HIS 3 37.213 9.757 -18.920 17 HB2 HIS 3 2HB HIS 3 37.955 7.269 -17.303 18 HB3 HIS 3 3HB HIS 3 37.482 7.290 -18.998 19 HD1 HIS 3 HD1 HIS 3 39.327 7.736 -20.708 20 HD2 HIS 3 HD2 HIS 3 40.592 8.332 -16.794 21 HE1 HIS 3 HE1 HIS 3 41.822 7.959 -20.830 22 HE2 HIS 3 HE2 HIS 3 42.570 8.169 -18.441 23 H HIS 4 H HIS 4 35.450 10.898 -17.194 24 HA HIS 4 HA HIS 4 33.672 9.123 -15.872 25 HB2 HIS 4 2HB HIS 4 32.217 11.005 -15.479 26 HB3 HIS 4 3HB HIS 4 33.870 11.556 -15.287 27 HD1 HIS 4 HD1 HIS 4 34.662 13.442 -16.824 28 HD2 HIS 4 HD2 HIS 4 30.831 12.107 -17.725 29 HE1 HIS 4 HE1 HIS 4 33.705 15.133 -18.420 30 HE2 HIS 4 HE2 HIS 4 31.447 14.225 -19.046 31 H HIS 5 H HIS 5 33.873 10.094 -19.226 32 HA HIS 5 HA HIS 5 31.310 9.027 -19.951 33 HB2 HIS 5 2HB HIS 5 32.006 9.195 -22.258 34 HB3 HIS 5 3HB HIS 5 32.567 10.634 -21.431 35 HD1 HIS 5 HD1 HIS 5 35.121 11.016 -21.341 36 HD2 HIS 5 HD2 HIS 5 34.042 7.515 -23.281 37 HE1 HIS 5 HE1 HIS 5 37.203 10.207 -22.459 38 HE2 HIS 5 HE2 HIS 5 36.550 8.019 -23.518 39 H HIS 6 H HIS 6 30.771 6.911 -20.082 40 HA HIS 6 HA HIS 6 32.876 4.838 -19.922 41 HB2 HIS 6 2HB HIS 6 30.498 5.187 -18.046 42 HB3 HIS 6 3HB HIS 6 31.386 3.676 -18.186 43 HD1 HIS 6 HD1 HIS 6 31.185 6.244 -15.910 44 HD2 HIS 6 HD2 HIS 6 34.412 4.505 -17.839 45 HE1 HIS 6 HE1 HIS 6 33.175 6.764 -14.476 46 HE2 HIS 6 HE2 HIS 6 35.131 5.911 -15.807 47 H HIS 7 H HIS 7 32.470 3.002 -21.004 48 HA HIS 7 HA HIS 7 30.321 2.877 -22.896 49 HB2 HIS 7 2HB HIS 7 31.293 0.662 -23.527 50 HB3 HIS 7 3HB HIS 7 32.505 1.932 -23.484 51 HD1 HIS 7 HD1 HIS 7 34.481 1.595 -21.938 52 HD2 HIS 7 HD2 HIS 7 31.523 -1.261 -21.360 53 HE1 HIS 7 HE1 HIS 7 35.506 -0.150 -20.464 54 HE2 HIS 7 HE2 HIS 7 33.687 -1.841 -20.090 55 H HIS 8 H HIS 8 28.542 1.475 -22.930 56 HA HIS 8 HA HIS 8 27.933 -0.124 -20.518 57 HB2 HIS 8 2HB HIS 8 26.079 1.994 -21.719 58 HB3 HIS 8 3HB HIS 8 25.561 0.776 -20.554 59 HD1 HIS 8 HD1 HIS 8 26.909 4.134 -20.736 60 HD2 HIS 8 HD2 HIS 8 27.039 1.023 -17.989 61 HE1 HIS 8 HE1 HIS 8 27.638 5.182 -18.573 62 HE2 HIS 8 HE2 HIS 8 27.881 3.239 -16.992 63 H GLU 9 H GLU 9 27.263 -2.053 -21.034 64 HA GLU 9 HA GLU 9 26.888 -2.969 -23.714 65 HB2 GLU 9 2HB GLU 9 27.894 -4.369 -21.940 66 HB3 GLU 9 3HB GLU 9 26.399 -4.306 -21.012 67 HG2 GLU 9 2HG GLU 9 25.245 -5.559 -22.827 68 HG3 GLU 9 3HG GLU 9 26.776 -5.659 -23.705 69 H ASN 10 H ASN 10 24.741 -2.859 -20.887 70 HA ASN 10 HA ASN 10 22.403 -2.055 -22.358 71 HB2 ASN 10 2HB ASN 10 22.433 -4.508 -22.843 72 HB3 ASN 10 3HB ASN 10 22.506 -4.861 -21.118 73 HD21 ASN 10 1HD2 ASN 10 20.570 -5.930 -20.939 74 HD22 ASN 10 2HD2 ASN 10 19.027 -5.222 -21.255 75 H LEU 11 H LEU 11 21.477 -0.638 -20.952 76 HA LEU 11 HA LEU 11 21.830 -0.894 -18.074 77 HB2 LEU 11 2HB LEU 11 21.806 1.336 -19.389 78 HB3 LEU 11 3HB LEU 11 20.069 1.147 -19.495 79 HG LEU 11 HG LEU 11 20.887 2.717 -17.666 80 HD11 LEU 11 1HD1 LEU 11 19.332 2.006 -15.915 81 HD12 LEU 11 2HD1 LEU 11 19.214 0.404 -16.650 82 HD13 LEU 11 3HD1 LEU 11 18.622 1.819 -17.520 83 HD21 LEU 11 1HD2 LEU 11 22.872 1.450 -16.971 84 HD22 LEU 11 2HD2 LEU 11 21.845 0.178 -16.302 85 HD23 LEU 11 3HD2 LEU 11 21.819 1.798 -15.601 86 H TYR 12 H TYR 12 20.821 -2.842 -17.662 87 HA TYR 12 HA TYR 12 17.919 -2.632 -17.329 88 HB2 TYR 12 2HB TYR 12 18.153 -3.969 -19.392 89 HB3 TYR 12 3HB TYR 12 19.278 -5.064 -18.595 90 HD1 TYR 12 HD1 TYR 12 15.751 -3.762 -18.208 91 HD2 TYR 12 HD2 TYR 12 18.405 -7.075 -17.688 92 HE1 TYR 12 HE1 TYR 12 13.867 -5.159 -17.468 93 HE2 TYR 12 HE2 TYR 12 16.522 -8.470 -16.953 94 HH TYR 12 HH TYR 12 14.267 -8.187 -15.986 95 H PHE 13 H PHE 13 17.213 -3.469 -15.466 96 HA PHE 13 HA PHE 13 18.742 -5.388 -13.917 97 HB2 PHE 13 2HB PHE 13 18.782 -4.033 -11.855 98 HB3 PHE 13 3HB PHE 13 19.700 -3.239 -13.123 99 HD1 PHE 13 HD1 PHE 13 18.761 -1.194 -14.257 100 HD2 PHE 13 HD2 PHE 13 16.826 -2.961 -10.864 101 HE1 PHE 13 HE1 PHE 13 17.482 0.877 -13.898 102 HE2 PHE 13 HE2 PHE 13 15.551 -0.883 -10.520 103 HZ PHE 13 HZ PHE 13 15.880 1.034 -12.033 104 H GLN 14 H GLN 14 17.468 -6.220 -12.116 105 HA GLN 14 HA GLN 14 14.542 -5.835 -12.389 106 HB2 GLN 14 2HB GLN 14 16.093 -8.253 -11.363 107 HB3 GLN 14 3HB GLN 14 14.335 -8.109 -11.348 108 HG2 GLN 14 2HG GLN 14 14.371 -7.941 -13.843 109 HG3 GLN 14 3HG GLN 14 16.119 -8.196 -13.801 110 HE21 GLN 14 1HE2 GLN 14 15.895 -10.131 -15.047 111 HE22 GLN 14 2HE2 GLN 14 15.264 -11.583 -14.359 112 H SER 15 H SER 15 13.661 -4.758 -10.770 113 HA SER 15 HA SER 15 14.941 -4.138 -8.305 114 HB2 SER 15 2HB SER 15 13.294 -2.610 -9.390 115 HB3 SER 15 3HB SER 15 12.017 -3.787 -9.106 116 HG SER 15 HG SER 15 12.195 -3.444 -6.925 117 H HIS 16 H HIS 16 15.153 -5.505 -6.691 118 HA HIS 16 HA HIS 16 13.437 -7.918 -6.467 119 HB2 HIS 16 2HB HIS 16 15.658 -8.236 -7.667 120 HB3 HIS 16 3HB HIS 16 16.478 -7.771 -6.188 121 HD1 HIS 16 HD1 HIS 16 16.291 -9.494 -4.175 122 HD2 HIS 16 HD2 HIS 16 14.923 -10.867 -7.845 123 HE1 HIS 16 HE1 HIS 16 16.293 -12.000 -3.996 124 HE2 HIS 16 HE2 HIS 16 15.283 -12.781 -6.165 125 H MET 17 H MET 17 14.411 -5.155 -4.940 126 HA MET 17 HA MET 17 14.025 -6.090 -2.224 127 HB2 MET 17 2HB MET 17 16.439 -6.591 -2.568 128 HB3 MET 17 3HB MET 17 16.728 -4.942 -3.101 129 HG2 MET 17 2HG MET 17 16.130 -4.126 -0.836 130 HG3 MET 17 3HG MET 17 15.890 -5.794 -0.313 131 HE1 MET 17 1HE MET 17 19.256 -4.570 1.443 132 HE2 MET 17 2HE MET 17 17.604 -5.113 1.727 133 HE3 MET 17 3HE MET 17 17.902 -3.523 1.022 134 H THR 18 H THR 18 13.694 -4.349 -0.769 135 HA THR 18 HA THR 18 12.501 -2.000 -1.748 136 HB THR 18 HB THR 18 12.485 -1.311 0.692 137 HG1 THR 18 HG1 THR 18 14.458 -2.332 1.325 138 HG21 THR 18 1HG2 THR 18 11.060 -3.173 1.468 139 HG22 THR 18 2HG2 THR 18 11.618 -4.169 0.125 140 HG23 THR 18 3HG2 THR 18 10.668 -2.712 -0.186 141 H ASP 19 H ASP 19 13.868 -0.771 -3.016 142 HA ASP 19 HA ASP 19 15.843 0.886 -1.590 143 HB2 ASP 19 2HB ASP 19 17.152 -0.900 -2.751 144 HB3 ASP 19 3HB ASP 19 16.389 -0.470 -4.276 145 H GLU 20 H GLU 20 14.579 2.667 -1.665 146 HA GLU 20 HA GLU 20 13.562 4.558 -2.380 147 HB2 GLU 20 2HB GLU 20 15.655 4.625 -3.847 148 HB3 GLU 20 3HB GLU 20 14.708 3.911 -5.141 149 HG2 GLU 20 2HG GLU 20 14.941 6.304 -5.500 150 HG3 GLU 20 3HG GLU 20 13.254 5.911 -5.171 151 H LEU 21 H LEU 21 12.365 1.779 -2.686 152 HA LEU 21 HA LEU 21 10.481 1.948 -4.920 153 HB2 LEU 21 2HB LEU 21 11.849 -0.127 -4.369 154 HB3 LEU 21 3HB LEU 21 10.945 -0.288 -2.882 155 HG LEU 21 HG LEU 21 10.285 -1.846 -4.805 156 HD11 LEU 21 1HD1 LEU 21 8.026 -0.167 -3.681 157 HD12 LEU 21 2HD1 LEU 21 8.785 -1.552 -2.896 158 HD13 LEU 21 3HD1 LEU 21 7.879 -1.780 -4.390 159 HD21 LEU 21 1HD2 LEU 21 10.435 -0.218 -6.639 160 HD22 LEU 21 2HD2 LEU 21 9.042 0.654 -5.994 161 HD23 LEU 21 3HD2 LEU 21 8.854 -0.997 -6.590 162 H LEU 22 H LEU 22 10.454 1.500 -1.367 163 HA LEU 22 HA LEU 22 7.670 1.469 -0.982 164 HB2 LEU 22 2HB LEU 22 9.881 2.290 0.939 165 HB3 LEU 22 3HB LEU 22 8.213 1.979 1.412 166 HG LEU 22 HG LEU 22 10.167 -0.057 0.281 167 HD11 LEU 22 1HD1 LEU 22 10.608 0.579 2.619 168 HD12 LEU 22 2HD1 LEU 22 10.051 -1.085 2.488 169 HD13 LEU 22 3HD1 LEU 22 8.944 0.170 3.052 170 HD21 LEU 22 1HD2 LEU 22 8.401 -1.725 0.615 171 HD22 LEU 22 2HD2 LEU 22 7.884 -0.506 -0.543 172 HD23 LEU 22 3HD2 LEU 22 7.266 -0.468 1.114 173 H GLU 23 H GLU 23 9.984 4.085 -1.128 174 HA GLU 23 HA GLU 23 8.696 6.267 -0.095 175 HB2 GLU 23 2HB GLU 23 11.040 6.105 -1.094 176 HB3 GLU 23 3HB GLU 23 10.310 6.285 -2.683 177 HG2 GLU 23 2HG GLU 23 11.098 8.430 -2.103 178 HG3 GLU 23 3HG GLU 23 9.355 8.503 -1.852 179 H ARG 24 H ARG 24 8.378 4.862 -3.317 180 HA ARG 24 HA ARG 24 6.788 6.773 -4.597 181 HB2 ARG 24 2HB ARG 24 6.728 3.762 -5.086 182 HB3 ARG 24 3HB ARG 24 6.303 5.024 -6.240 183 HG2 ARG 24 2HG ARG 24 9.068 4.440 -5.139 184 HG3 ARG 24 3HG ARG 24 8.484 4.067 -6.762 185 HD2 ARG 24 2HD ARG 24 8.864 6.844 -5.586 186 HD3 ARG 24 3HD ARG 24 9.899 6.059 -6.782 187 HE ARG 24 HE ARG 24 7.054 6.571 -7.380 188 HH11 ARG 24 1HH1 ARG 24 10.428 7.152 -8.152 189 HH12 ARG 24 2HH1 ARG 24 10.076 7.934 -9.659 190 HH21 ARG 24 1HH2 ARG 24 6.606 7.604 -9.349 191 HH22 ARG 24 2HH2 ARG 24 7.909 8.187 -10.330 192 H LEU 25 H LEU 25 5.909 4.087 -2.500 193 HA LEU 25 HA LEU 25 3.046 4.284 -3.058 194 HB2 LEU 25 2HB LEU 25 4.636 2.483 -1.169 195 HB3 LEU 25 3HB LEU 25 2.890 2.423 -1.347 196 HG LEU 25 HG LEU 25 3.283 1.869 -3.837 197 HD11 LEU 25 1HD1 LEU 25 6.109 1.296 -2.914 198 HD12 LEU 25 2HD1 LEU 25 5.617 2.570 -4.030 199 HD13 LEU 25 3HD1 LEU 25 5.419 0.880 -4.488 200 HD21 LEU 25 1HD2 LEU 25 2.547 0.190 -2.223 201 HD22 LEU 25 2HD2 LEU 25 4.225 -0.160 -1.798 202 HD23 LEU 25 3HD2 LEU 25 3.629 -0.511 -3.425 203 H ARG 26 H ARG 26 5.373 5.151 -0.564 204 HA ARG 26 HA ARG 26 3.544 5.662 1.557 205 HB2 ARG 26 2HB ARG 26 5.988 5.106 1.824 206 HB3 ARG 26 3HB ARG 26 6.397 6.703 1.219 207 HG2 ARG 26 2HG ARG 26 4.547 6.622 3.578 208 HG3 ARG 26 3HG ARG 26 6.197 6.083 3.872 209 HD2 ARG 26 2HD ARG 26 5.487 8.764 2.636 210 HD3 ARG 26 3HD ARG 26 5.765 8.511 4.363 211 HE ARG 26 HE ARG 26 7.997 7.503 3.107 212 HH11 ARG 26 1HH1 ARG 26 6.468 10.674 3.218 213 HH12 ARG 26 2HH1 ARG 26 7.964 11.526 3.002 214 HH21 ARG 26 1HH2 ARG 26 9.945 8.653 2.852 215 HH22 ARG 26 2HH2 ARG 26 9.914 10.383 2.801 216 H GLN 27 H GLN 27 5.057 7.673 -0.939 217 HA GLN 27 HA GLN 27 4.170 10.207 -0.085 218 HB2 GLN 27 2HB GLN 27 4.738 9.219 -2.914 219 HB3 GLN 27 3HB GLN 27 4.523 10.911 -2.473 220 HG2 GLN 27 2HG GLN 27 6.733 9.096 -1.467 221 HG3 GLN 27 3HG GLN 27 6.898 10.307 -2.734 222 HE21 GLN 27 1HE2 GLN 27 8.242 10.009 -0.103 223 HE22 GLN 27 2HE2 GLN 27 8.006 11.516 0.702 224 H LEU 28 H LEU 28 2.631 7.691 -2.030 225 HA LEU 28 HA LEU 28 0.314 9.154 -2.799 226 HB2 LEU 28 2HB LEU 28 1.030 7.123 -4.002 227 HB3 LEU 28 3HB LEU 28 0.757 6.153 -2.561 228 HG LEU 28 HG LEU 28 -1.707 6.759 -2.695 229 HD11 LEU 28 1HD1 LEU 28 -0.983 7.919 -5.397 230 HD12 LEU 28 2HD1 LEU 28 -1.563 8.812 -3.988 231 HD13 LEU 28 3HD1 LEU 28 -2.618 7.647 -4.785 232 HD21 LEU 28 1HD2 LEU 28 -0.897 4.601 -3.509 233 HD22 LEU 28 2HD2 LEU 28 -0.611 5.296 -5.108 234 HD23 LEU 28 3HD2 LEU 28 -2.253 5.189 -4.469 235 H PHE 29 H PHE 29 1.044 6.959 -0.061 236 HA PHE 29 HA PHE 29 -1.571 6.833 1.017 237 HB2 PHE 29 2HB PHE 29 1.130 6.450 2.377 238 HB3 PHE 29 3HB PHE 29 -0.410 6.115 3.163 239 HD1 PHE 29 HD1 PHE 29 -1.961 4.757 1.078 240 HD2 PHE 29 HD2 PHE 29 2.174 4.359 2.089 241 HE1 PHE 29 HE1 PHE 29 -1.948 2.477 0.178 242 HE2 PHE 29 HE2 PHE 29 2.172 2.072 1.195 243 HZ PHE 29 HZ PHE 29 0.107 1.125 0.249 244 H GLU 30 H GLU 30 1.139 9.049 1.634 245 HA GLU 30 HA GLU 30 -0.068 10.638 3.666 246 HB2 GLU 30 2HB GLU 30 2.036 11.409 1.602 247 HB3 GLU 30 3HB GLU 30 1.625 12.353 3.032 248 HG2 GLU 30 2HG GLU 30 2.489 10.637 4.496 249 HG3 GLU 30 3HG GLU 30 2.749 9.541 3.136 250 H GLU 31 H GLU 31 -0.040 10.790 0.141 251 HA GLU 31 HA GLU 31 -1.381 13.265 -0.196 252 HB2 GLU 31 2HB GLU 31 0.013 12.201 -1.935 253 HB3 GLU 31 3HB GLU 31 -1.146 10.885 -2.084 254 HG2 GLU 31 2HG GLU 31 -2.823 12.395 -2.992 255 HG3 GLU 31 3HG GLU 31 -1.793 13.791 -2.676 256 H LEU 32 H LEU 32 -2.532 9.955 0.228 257 HA LEU 32 HA LEU 32 -5.344 10.659 -0.205 258 HB2 LEU 32 2HB LEU 32 -4.081 8.027 0.677 259 HB3 LEU 32 3HB LEU 32 -5.773 8.254 0.260 260 HG LEU 32 HG LEU 32 -3.429 8.504 -1.675 261 HD11 LEU 32 1HD1 LEU 32 -4.253 6.438 -2.696 262 HD12 LEU 32 2HD1 LEU 32 -5.505 6.302 -1.458 263 HD13 LEU 32 3HD1 LEU 32 -3.801 6.182 -1.011 264 HD21 LEU 32 1HD2 LEU 32 -5.242 10.008 -2.325 265 HD22 LEU 32 2HD2 LEU 32 -6.402 8.678 -2.259 266 HD23 LEU 32 3HD2 LEU 32 -5.105 8.665 -3.459 267 H HIS 33 H HIS 33 -3.100 10.541 2.388 268 HA HIS 33 HA HIS 33 -4.642 9.865 4.624 269 HB2 HIS 33 2HB HIS 33 -2.224 10.030 4.734 270 HB3 HIS 33 3HB HIS 33 -2.260 11.739 4.337 271 HD1 HIS 33 HD1 HIS 33 -2.126 13.280 6.268 272 HD2 HIS 33 HD2 HIS 33 -3.390 9.493 7.397 273 HE1 HIS 33 HE1 HIS 33 -2.239 13.324 8.769 274 HE2 HIS 33 HE2 HIS 33 -3.262 11.119 9.385 275 H GLU 34 H GLU 34 -4.390 12.929 2.895 276 HA GLU 34 HA GLU 34 -5.633 14.544 4.897 277 HB2 GLU 34 2HB GLU 34 -5.764 16.287 3.048 278 HB3 GLU 34 3HB GLU 34 -4.166 15.687 3.440 279 HG2 GLU 34 2HG GLU 34 -4.215 15.900 1.088 280 HG3 GLU 34 3HG GLU 34 -4.328 14.173 1.418 281 H ARG 35 H ARG 35 -6.929 12.472 2.403 282 HA ARG 35 HA ARG 35 -9.597 13.764 2.580 283 HB2 ARG 35 2HB ARG 35 -10.221 12.441 0.621 284 HB3 ARG 35 3HB ARG 35 -8.720 13.307 0.318 285 HG2 ARG 35 2HG ARG 35 -7.572 11.071 1.004 286 HG3 ARG 35 3HG ARG 35 -9.149 10.347 0.712 287 HD2 ARG 35 2HD ARG 35 -7.508 11.931 -1.288 288 HD3 ARG 35 3HD ARG 35 -7.640 10.175 -1.233 289 HE ARG 35 HE ARG 35 -10.186 10.787 -1.547 290 HH11 ARG 35 1HH1 ARG 35 -7.407 12.193 -3.180 291 HH12 ARG 35 2HH1 ARG 35 -8.282 12.556 -4.629 292 HH21 ARG 35 1HH2 ARG 35 -11.316 11.214 -3.485 293 HH22 ARG 35 2HH2 ARG 35 -10.501 11.993 -4.806 294 H GLY 36 H GLY 36 -7.873 10.863 3.538 295 HA2 GLY 36 2HA GLY 36 -8.385 9.195 5.022 296 HA3 GLY 36 3HA GLY 36 -9.711 10.200 5.578 297 H THR 37 H THR 37 -9.369 8.993 2.303 298 HA THR 37 HA THR 37 -11.993 7.792 2.277 299 HB THR 37 HB THR 37 -11.049 9.020 0.309 300 HG1 THR 37 HG1 THR 37 -12.673 7.347 0.032 301 HG21 THR 37 1HG2 THR 37 -9.186 6.637 0.018 302 HG22 THR 37 2HG2 THR 37 -8.694 8.269 0.472 303 HG23 THR 37 3HG2 THR 37 -9.360 7.966 -1.134 304 H GLU 38 H GLU 38 -12.222 5.494 1.290 305 HA GLU 38 HA GLU 38 -10.800 3.612 2.895 306 HB2 GLU 38 2HB GLU 38 -12.105 1.852 1.698 307 HB3 GLU 38 3HB GLU 38 -13.104 3.096 2.431 308 HG2 GLU 38 2HG GLU 38 -13.705 4.025 0.344 309 HG3 GLU 38 3HG GLU 38 -12.393 3.211 -0.504 310 H ILE 39 H ILE 39 -8.715 3.477 2.461 311 HA ILE 39 HA ILE 39 -7.642 3.061 -0.213 312 HB ILE 39 HB ILE 39 -6.150 3.134 2.457 313 HG12 ILE 39 2HG1 ILE 39 -6.522 5.487 0.543 314 HG13 ILE 39 3HG1 ILE 39 -7.458 5.273 2.018 315 HG21 ILE 39 1HG2 ILE 39 -4.167 3.663 1.083 316 HG22 ILE 39 2HG2 ILE 39 -5.143 3.545 -0.381 317 HG23 ILE 39 3HG2 ILE 39 -4.872 2.113 0.615 318 HD11 ILE 39 1HD1 ILE 39 -4.470 5.672 1.856 319 HD12 ILE 39 2HD1 ILE 39 -5.397 5.424 3.339 320 HD13 ILE 39 3HD1 ILE 39 -5.674 6.859 2.355 321 H VAL 40 H VAL 40 -7.956 1.000 -0.893 322 HA VAL 40 HA VAL 40 -7.654 -1.302 0.921 323 HB VAL 40 HB VAL 40 -8.790 -1.254 -1.926 324 HG11 VAL 40 1HG1 VAL 40 -7.909 -3.464 -1.293 325 HG12 VAL 40 2HG1 VAL 40 -9.670 -3.508 -1.406 326 HG13 VAL 40 3HG1 VAL 40 -8.889 -3.454 0.176 327 HG21 VAL 40 1HG2 VAL 40 -10.228 0.078 -0.439 328 HG22 VAL 40 2HG2 VAL 40 -10.329 -1.270 0.698 329 HG23 VAL 40 3HG2 VAL 40 -11.034 -1.420 -0.914 330 H VAL 41 H VAL 41 -5.507 -1.791 0.960 331 HA VAL 41 HA VAL 41 -3.928 -1.800 -1.536 332 HB VAL 41 HB VAL 41 -3.008 -1.892 1.378 333 HG11 VAL 41 1HG1 VAL 41 -0.731 -1.514 0.494 334 HG12 VAL 41 2HG1 VAL 41 -1.347 -1.631 -1.157 335 HG13 VAL 41 3HG1 VAL 41 -1.399 -3.040 -0.094 336 HG21 VAL 41 1HG2 VAL 41 -2.918 0.400 -0.619 337 HG22 VAL 41 2HG2 VAL 41 -2.260 0.429 1.020 338 HG23 VAL 41 3HG2 VAL 41 -4.001 0.281 0.772 339 H GLU 42 H GLU 42 -3.720 -3.743 -2.490 340 HA GLU 42 HA GLU 42 -3.701 -6.169 -0.826 341 HB2 GLU 42 2HB GLU 42 -5.914 -5.889 -1.931 342 HB3 GLU 42 3HB GLU 42 -5.117 -5.952 -3.504 343 HG2 GLU 42 2HG GLU 42 -4.429 -8.231 -3.165 344 HG3 GLU 42 3HG GLU 42 -4.892 -8.195 -1.464 345 H VAL 43 H VAL 43 -1.865 -7.158 -0.983 346 HA VAL 43 HA VAL 43 0.031 -6.624 -3.150 347 HB VAL 43 HB VAL 43 0.419 -8.295 -0.616 348 HG11 VAL 43 1HG1 VAL 43 2.829 -7.874 -0.965 349 HG12 VAL 43 2HG1 VAL 43 2.467 -7.010 -2.462 350 HG13 VAL 43 3HG1 VAL 43 2.117 -8.736 -2.332 351 HG21 VAL 43 1HG2 VAL 43 1.019 -5.340 -1.005 352 HG22 VAL 43 2HG2 VAL 43 1.425 -6.299 0.423 353 HG23 VAL 43 3HG2 VAL 43 -0.266 -6.013 0.002 354 H HIS 44 H HIS 44 -0.037 -7.933 -4.881 355 HA HIS 44 HA HIS 44 -0.967 -10.730 -4.690 356 HB2 HIS 44 2HB HIS 44 -0.498 -8.935 -7.124 357 HB3 HIS 44 3HB HIS 44 -1.102 -10.588 -7.193 358 HD1 HIS 44 HD1 HIS 44 -2.741 -8.267 -8.379 359 HD2 HIS 44 HD2 HIS 44 -3.252 -9.725 -4.520 360 HE1 HIS 44 HE1 HIS 44 -5.090 -7.666 -7.728 361 HE2 HIS 44 HE2 HIS 44 -5.428 -8.789 -5.515 362 H ILE 45 H ILE 45 0.734 -12.019 -4.128 363 HA ILE 45 HA ILE 45 3.138 -12.023 -5.854 364 HB ILE 45 HB ILE 45 3.152 -12.161 -2.805 365 HG12 ILE 45 2HG1 ILE 45 4.410 -10.258 -4.821 366 HG13 ILE 45 3HG1 ILE 45 3.274 -9.875 -3.534 367 HG21 ILE 45 1HG2 ILE 45 5.473 -12.812 -4.666 368 HG22 ILE 45 2HG2 ILE 45 4.596 -13.966 -3.659 369 HG23 ILE 45 3HG2 ILE 45 5.561 -12.701 -2.906 370 HD11 ILE 45 1HD1 ILE 45 6.185 -10.593 -3.262 371 HD12 ILE 45 2HD1 ILE 45 5.076 -10.446 -1.898 372 HD13 ILE 45 3HD1 ILE 45 5.404 -9.049 -2.920 373 H ASN 46 H ASN 46 3.297 -13.915 -6.812 374 HA ASN 46 HA ASN 46 3.111 -16.071 -7.417 375 HB2 ASN 46 2HB ASN 46 3.828 -16.345 -4.477 376 HB3 ASN 46 3HB ASN 46 3.642 -17.766 -5.497 377 HD21 ASN 46 1HD2 ASN 46 5.691 -15.082 -4.735 378 HD22 ASN 46 2HD2 ASN 46 6.991 -15.509 -5.780 379 H GLY 47 H GLY 47 0.546 -14.762 -6.532 380 HA2 GLY 47 2HA GLY 47 -1.560 -15.794 -7.149 381 HA3 GLY 47 3HA GLY 47 -1.066 -17.250 -6.302 382 H GLU 48 H GLU 48 0.021 -15.436 -4.094 383 HA GLU 48 HA GLU 48 -2.404 -15.540 -2.500 384 HB2 GLU 48 2HB GLU 48 0.410 -14.710 -1.656 385 HB3 GLU 48 3HB GLU 48 -0.930 -15.135 -0.593 386 HG2 GLU 48 2HG GLU 48 0.622 -16.974 -2.431 387 HG3 GLU 48 3HG GLU 48 0.595 -16.993 -0.672 388 H ARG 49 H ARG 49 -3.280 -13.807 -1.351 389 HA ARG 49 HA ARG 49 -2.676 -11.083 -2.344 390 HB2 ARG 49 2HB ARG 49 -5.183 -10.683 -2.318 391 HB3 ARG 49 3HB ARG 49 -4.633 -11.808 -3.553 392 HG2 ARG 49 2HG ARG 49 -5.370 -13.711 -2.132 393 HG3 ARG 49 3HG ARG 49 -5.953 -12.567 -0.922 394 HD2 ARG 49 2HD ARG 49 -6.981 -12.763 -3.774 395 HD3 ARG 49 3HD ARG 49 -7.758 -13.482 -2.362 396 HE ARG 49 HE ARG 49 -7.367 -10.667 -2.046 397 HH11 ARG 49 1HH1 ARG 49 -9.506 -13.006 -3.589 398 HH12 ARG 49 2HH1 ARG 49 -10.860 -11.923 -3.620 399 HH21 ARG 49 1HH2 ARG 49 -9.160 -9.283 -2.044 400 HH22 ARG 49 2HH2 ARG 49 -10.661 -9.807 -2.737 401 H ASP 50 H ASP 50 -1.899 -9.994 -0.626 402 HA ASP 50 HA ASP 50 -2.976 -10.355 2.089 403 HB2 ASP 50 2HB ASP 50 -0.504 -10.001 1.699 404 HB3 ASP 50 3HB ASP 50 -0.876 -8.438 0.994 405 H GLU 51 H GLU 51 -4.915 -9.365 2.384 406 HA GLU 51 HA GLU 51 -5.618 -6.940 0.838 407 HB2 GLU 51 2HB GLU 51 -7.142 -8.893 0.554 408 HB3 GLU 51 3HB GLU 51 -7.451 -8.913 2.291 409 HG2 GLU 51 2HG GLU 51 -8.381 -6.555 2.062 410 HG3 GLU 51 3HG GLU 51 -8.229 -6.731 0.315 411 H ILE 52 H ILE 52 -5.431 -5.100 1.927 412 HA ILE 52 HA ILE 52 -6.201 -4.957 4.795 413 HB ILE 52 HB ILE 52 -4.096 -3.152 3.506 414 HG12 ILE 52 2HG1 ILE 52 -3.409 -5.565 5.254 415 HG13 ILE 52 3HG1 ILE 52 -3.374 -5.626 3.493 416 HG21 ILE 52 1HG2 ILE 52 -3.504 -2.670 5.879 417 HG22 ILE 52 2HG2 ILE 52 -4.793 -3.750 6.413 418 HG23 ILE 52 3HG2 ILE 52 -5.189 -2.276 5.525 419 HD11 ILE 52 1HD1 ILE 52 -1.728 -3.795 5.219 420 HD12 ILE 52 2HD1 ILE 52 -1.708 -3.859 3.454 421 HD13 ILE 52 3HD1 ILE 52 -1.178 -5.253 4.393 422 H ARG 53 H ARG 53 -7.728 -3.393 5.173 423 HA ARG 53 HA ARG 53 -8.193 -1.285 3.145 424 HB2 ARG 53 2HB ARG 53 -10.388 -2.724 4.710 425 HB3 ARG 53 3HB ARG 53 -10.603 -1.496 3.466 426 HG2 ARG 53 2HG ARG 53 -9.605 -3.093 1.799 427 HG3 ARG 53 3HG ARG 53 -9.555 -4.320 3.065 428 HD2 ARG 53 2HD ARG 53 -11.498 -4.700 1.699 429 HD3 ARG 53 3HD ARG 53 -12.039 -4.127 3.277 430 HE ARG 53 HE ARG 53 -12.020 -1.837 1.959 431 HH11 ARG 53 1HH1 ARG 53 -13.220 -4.953 0.817 432 HH12 ARG 53 2HH1 ARG 53 -14.405 -4.239 -0.227 433 HH21 ARG 53 1HH2 ARG 53 -13.565 -0.938 0.572 434 HH22 ARG 53 2HH2 ARG 53 -14.594 -1.973 -0.360 435 H VAL 54 H VAL 54 -7.373 0.422 4.153 436 HA VAL 54 HA VAL 54 -8.215 1.112 6.923 437 HB VAL 54 HB VAL 54 -6.271 2.687 6.949 438 HG11 VAL 54 1HG1 VAL 54 -4.493 1.027 7.242 439 HG12 VAL 54 2HG1 VAL 54 -5.432 -0.178 6.353 440 HG13 VAL 54 3HG1 VAL 54 -6.013 0.426 7.909 441 HG21 VAL 54 1HG2 VAL 54 -5.490 1.436 4.281 442 HG22 VAL 54 2HG2 VAL 54 -4.504 2.564 5.218 443 HG23 VAL 54 3HG2 VAL 54 -6.035 3.098 4.528 444 H ARG 55 H ARG 55 -8.943 3.323 7.254 445 HA ARG 55 HA ARG 55 -9.688 4.796 4.785 446 HB2 ARG 55 2HB ARG 55 -11.489 4.440 7.220 447 HB3 ARG 55 3HB ARG 55 -11.865 5.386 5.781 448 HG2 ARG 55 2HG ARG 55 -11.816 3.306 4.428 449 HG3 ARG 55 3HG ARG 55 -11.492 2.374 5.890 450 HD2 ARG 55 2HD ARG 55 -13.649 3.023 6.821 451 HD3 ARG 55 3HD ARG 55 -13.963 4.078 5.434 452 HE ARG 55 HE ARG 55 -13.495 1.262 4.858 453 HH11 ARG 55 1HH1 ARG 55 -15.912 3.776 5.326 454 HH12 ARG 55 2HH1 ARG 55 -17.168 2.881 4.528 455 HH21 ARG 55 1HH2 ARG 55 -15.123 0.105 3.825 456 HH22 ARG 55 2HH2 ARG 55 -16.711 0.785 3.672 457 H ASN 56 H ASN 56 -10.421 5.628 8.169 458 HA ASN 56 HA ASN 56 -8.919 8.130 7.893 459 HB2 ASN 56 2HB ASN 56 -10.848 7.154 10.043 460 HB3 ASN 56 3HB ASN 56 -9.959 8.667 10.149 461 HD21 ASN 56 1HD2 ASN 56 -11.570 7.249 7.290 462 HD22 ASN 56 2HD2 ASN 56 -12.699 8.534 7.097 463 H ILE 57 H ILE 57 -6.898 7.155 7.839 464 HA ILE 57 HA ILE 57 -5.857 6.130 10.420 465 HB ILE 57 HB ILE 57 -3.813 5.443 8.845 466 HG12 ILE 57 2HG1 ILE 57 -4.627 4.590 6.588 467 HG13 ILE 57 3HG1 ILE 57 -6.116 5.494 6.821 468 HG21 ILE 57 1HG2 ILE 57 -4.783 3.194 8.600 469 HG22 ILE 57 2HG2 ILE 57 -6.390 3.837 8.955 470 HG23 ILE 57 3HG2 ILE 57 -5.124 3.883 10.187 471 HD11 ILE 57 1HD1 ILE 57 -4.567 6.611 5.315 472 HD12 ILE 57 2HD1 ILE 57 -3.353 6.679 6.592 473 HD13 ILE 57 3HD1 ILE 57 -4.861 7.580 6.760 474 H SER 58 H SER 58 -3.614 6.763 10.922 475 HA SER 58 HA SER 58 -3.109 9.617 10.317 476 HB2 SER 58 2HB SER 58 -2.120 7.914 12.641 477 HB3 SER 58 3HB SER 58 -1.925 9.659 12.462 478 HG SER 58 HG SER 58 -4.250 8.157 12.965 479 H LYS 59 H LYS 59 -0.492 9.930 10.843 480 HA LYS 59 HA LYS 59 0.597 9.182 8.345 481 HB2 LYS 59 2HB LYS 59 2.580 10.446 8.905 482 HB3 LYS 59 3HB LYS 59 1.169 11.333 9.454 483 HG2 LYS 59 2HG LYS 59 2.949 9.673 11.274 484 HG3 LYS 59 3HG LYS 59 3.143 11.408 11.010 485 HD2 LYS 59 2HD LYS 59 0.779 11.717 11.877 486 HD3 LYS 59 3HD LYS 59 0.768 9.996 12.285 487 HE2 LYS 59 2HE LYS 59 1.287 11.362 14.250 488 HE3 LYS 59 3HE LYS 59 2.665 10.352 13.820 489 HZ1 LYS 59 1HZ LYS 59 3.692 12.272 12.762 490 HZ2 LYS 59 2HZ LYS 59 3.339 12.595 14.379 491 HZ3 LYS 59 3HZ LYS 59 2.362 13.236 13.162 492 H GLU 60 H GLU 60 1.244 7.846 11.585 493 HA GLU 60 HA GLU 60 3.353 6.093 10.564 494 HB2 GLU 60 2HB GLU 60 3.645 5.289 12.819 495 HB3 GLU 60 3HB GLU 60 3.528 7.037 12.876 496 HG2 GLU 60 2HG GLU 60 1.254 5.148 13.556 497 HG3 GLU 60 3HG GLU 60 2.363 5.821 14.738 498 H GLU 61 H GLU 61 -0.043 5.952 11.348 499 HA GLU 61 HA GLU 61 -0.454 3.167 11.289 500 HB2 GLU 61 2HB GLU 61 -2.410 5.316 10.384 501 HB3 GLU 61 3HB GLU 61 -2.815 3.663 10.839 502 HG2 GLU 61 2HG GLU 61 -1.759 5.846 12.648 503 HG3 GLU 61 3HG GLU 61 -3.391 5.190 12.626 504 H LEU 62 H LEU 62 -0.507 5.567 8.627 505 HA LEU 62 HA LEU 62 -1.241 3.705 6.610 506 HB2 LEU 62 2HB LEU 62 -0.685 5.448 4.970 507 HB3 LEU 62 3HB LEU 62 -1.709 6.036 6.260 508 HG LEU 62 HG LEU 62 0.503 7.008 7.291 509 HD11 LEU 62 1HD1 LEU 62 2.139 5.908 5.843 510 HD12 LEU 62 2HD1 LEU 62 2.240 7.658 5.666 511 HD13 LEU 62 3HD1 LEU 62 1.447 6.687 4.422 512 HD21 LEU 62 1HD2 LEU 62 -1.323 8.379 6.429 513 HD22 LEU 62 2HD2 LEU 62 -0.680 8.237 4.790 514 HD23 LEU 62 3HD2 LEU 62 0.243 9.088 6.032 515 H LYS 63 H LYS 63 1.770 4.524 8.097 516 HA LYS 63 HA LYS 63 3.546 3.537 6.148 517 HB2 LYS 63 2HB LYS 63 3.859 3.778 9.157 518 HB3 LYS 63 3HB LYS 63 5.162 3.233 8.095 519 HG2 LYS 63 2HG LYS 63 5.078 5.361 6.872 520 HG3 LYS 63 3HG LYS 63 3.767 5.920 7.921 521 HD2 LYS 63 2HD LYS 63 5.274 5.777 9.881 522 HD3 LYS 63 3HD LYS 63 6.580 5.197 8.840 523 HE2 LYS 63 2HE LYS 63 6.488 7.339 7.585 524 HE3 LYS 63 3HE LYS 63 5.231 7.910 8.687 525 HZ1 LYS 63 1HZ LYS 63 7.461 8.707 9.262 526 HZ2 LYS 63 2HZ LYS 63 7.970 7.116 9.519 527 HZ3 LYS 63 3HZ LYS 63 6.776 7.794 10.498 528 H LYS 64 H LYS 64 1.525 1.921 8.519 529 HA LYS 64 HA LYS 64 2.836 -0.596 8.518 530 HB2 LYS 64 2HB LYS 64 -0.081 0.054 9.085 531 HB3 LYS 64 3HB LYS 64 0.680 -1.503 9.409 532 HG2 LYS 64 2HG LYS 64 1.331 1.154 10.717 533 HG3 LYS 64 3HG LYS 64 0.522 -0.224 11.463 534 HD2 LYS 64 2HD LYS 64 3.420 -0.143 10.520 535 HD3 LYS 64 3HD LYS 64 2.869 -0.058 12.194 536 HE2 LYS 64 2HE LYS 64 1.981 -2.348 12.043 537 HE3 LYS 64 3HE LYS 64 2.456 -2.440 10.344 538 HZ1 LYS 64 1HZ LYS 64 4.080 -3.534 11.718 539 HZ2 LYS 64 2HZ LYS 64 4.286 -2.155 12.665 540 HZ3 LYS 64 3HZ LYS 64 4.772 -2.143 11.051 541 H LEU 65 H LEU 65 0.817 0.948 6.160 542 HA LEU 65 HA LEU 65 -0.078 -1.376 4.763 543 HB2 LEU 65 2HB LEU 65 0.218 1.544 3.977 544 HB3 LEU 65 3HB LEU 65 -0.256 0.352 2.793 545 HG LEU 65 HG LEU 65 -2.221 1.533 3.651 546 HD11 LEU 65 1HD1 LEU 65 -2.511 -0.795 2.970 547 HD12 LEU 65 2HD1 LEU 65 -3.625 -0.354 4.256 548 HD13 LEU 65 3HD1 LEU 65 -2.205 -1.337 4.623 549 HD21 LEU 65 1HD2 LEU 65 -2.956 1.408 5.962 550 HD22 LEU 65 2HD2 LEU 65 -1.352 2.120 5.878 551 HD23 LEU 65 3HD2 LEU 65 -1.540 0.449 6.400 552 H LEU 66 H LEU 66 2.569 0.956 3.956 553 HA LEU 66 HA LEU 66 3.723 -0.783 2.012 554 HB2 LEU 66 2HB LEU 66 5.669 0.723 1.950 555 HB3 LEU 66 3HB LEU 66 4.144 1.542 1.698 556 HG LEU 66 HG LEU 66 5.242 1.601 4.511 557 HD11 LEU 66 1HD1 LEU 66 6.438 3.331 2.318 558 HD12 LEU 66 2HD1 LEU 66 7.275 2.050 3.200 559 HD13 LEU 66 3HD1 LEU 66 6.726 3.489 4.055 560 HD21 LEU 66 1HD2 LEU 66 3.887 3.695 2.776 561 HD22 LEU 66 2HD2 LEU 66 4.303 3.875 4.483 562 HD23 LEU 66 3HD2 LEU 66 3.100 2.685 3.993 563 H GLU 67 H GLU 67 4.058 -0.641 5.456 564 HA GLU 67 HA GLU 67 6.458 -2.124 5.740 565 HB2 GLU 67 2HB GLU 67 4.026 -1.797 7.529 566 HB3 GLU 67 3HB GLU 67 5.313 -2.908 7.978 567 HG2 GLU 67 2HG GLU 67 5.727 0.050 7.447 568 HG3 GLU 67 3HG GLU 67 5.473 -0.649 9.046 569 H ARG 68 H ARG 68 3.042 -3.183 5.590 570 HA ARG 68 HA ARG 68 3.473 -5.958 5.772 571 HB2 ARG 68 2HB ARG 68 1.279 -4.407 4.329 572 HB3 ARG 68 3HB ARG 68 1.216 -6.140 4.634 573 HG2 ARG 68 2HG ARG 68 1.623 -4.328 6.999 574 HG3 ARG 68 3HG ARG 68 0.031 -4.351 6.248 575 HD2 ARG 68 2HD ARG 68 0.082 -5.903 8.084 576 HD3 ARG 68 3HD ARG 68 -0.067 -6.794 6.568 577 HE ARG 68 HE ARG 68 2.601 -6.483 7.772 578 HH11 ARG 68 1HH1 ARG 68 -0.100 -8.591 7.000 579 HH12 ARG 68 2HH1 ARG 68 0.791 -10.045 7.318 580 HH21 ARG 68 1HH2 ARG 68 3.726 -8.401 8.233 581 HH22 ARG 68 2HH2 ARG 68 2.950 -9.937 8.008 582 H ILE 69 H ILE 69 3.392 -3.800 2.982 583 HA ILE 69 HA ILE 69 3.626 -5.662 0.875 584 HB ILE 69 HB ILE 69 4.567 -2.751 1.006 585 HG12 ILE 69 2HG1 ILE 69 1.922 -3.833 -0.068 586 HG13 ILE 69 3HG1 ILE 69 2.119 -3.177 1.550 587 HG21 ILE 69 1HG2 ILE 69 4.376 -2.733 -1.469 588 HG22 ILE 69 2HG2 ILE 69 4.010 -4.459 -1.453 589 HG23 ILE 69 3HG2 ILE 69 5.594 -3.892 -0.920 590 HD11 ILE 69 1HD1 ILE 69 2.414 -1.706 -1.052 591 HD12 ILE 69 2HD1 ILE 69 2.793 -1.022 0.528 592 HD13 ILE 69 3HD1 ILE 69 1.148 -1.524 0.160 593 H ARG 70 H ARG 70 6.128 -3.740 2.599 594 HA ARG 70 HA ARG 70 8.295 -4.666 1.023 595 HB2 ARG 70 2HB ARG 70 9.766 -3.551 2.592 596 HB3 ARG 70 3HB ARG 70 8.389 -2.541 2.231 597 HG2 ARG 70 2HG ARG 70 8.470 -2.152 4.457 598 HG3 ARG 70 3HG ARG 70 7.482 -3.603 4.498 599 HD2 ARG 70 2HD ARG 70 9.495 -4.953 4.957 600 HD3 ARG 70 3HD ARG 70 10.466 -3.477 4.961 601 HE ARG 70 HE ARG 70 8.818 -2.798 6.832 602 HH11 ARG 70 1HH1 ARG 70 10.045 -6.053 6.338 603 HH12 ARG 70 2HH1 ARG 70 9.909 -6.474 8.013 604 HH21 ARG 70 1HH2 ARG 70 8.704 -3.338 9.002 605 HH22 ARG 70 2HH2 ARG 70 9.145 -4.926 9.532 606 H GLU 71 H GLU 71 6.756 -5.884 3.930 607 HA GLU 71 HA GLU 71 8.708 -7.724 4.779 608 HB2 GLU 71 2HB GLU 71 5.671 -7.744 5.045 609 HB3 GLU 71 3HB GLU 71 6.701 -8.962 5.794 610 HG2 GLU 71 2HG GLU 71 7.773 -7.270 7.163 611 HG3 GLU 71 3HG GLU 71 6.878 -5.996 6.353 612 H LYS 72 H LYS 72 6.119 -7.837 2.357 613 HA LYS 72 HA LYS 72 6.164 -10.643 1.878 614 HB2 LYS 72 2HB LYS 72 5.206 -8.439 -0.018 615 HB3 LYS 72 3HB LYS 72 4.829 -10.153 -0.149 616 HG2 LYS 72 2HG LYS 72 3.849 -8.197 1.931 617 HG3 LYS 72 3HG LYS 72 2.898 -9.049 0.718 618 HD2 LYS 72 2HD LYS 72 3.501 -11.213 1.886 619 HD3 LYS 72 3HD LYS 72 4.283 -10.243 3.147 620 HE2 LYS 72 2HE LYS 72 1.339 -10.069 2.401 621 HE3 LYS 72 3HE LYS 72 1.984 -10.981 3.764 622 HZ1 LYS 72 1HZ LYS 72 2.751 -8.961 4.765 623 HZ2 LYS 72 2HZ LYS 72 1.110 -8.779 4.380 624 HZ3 LYS 72 3HZ LYS 72 2.292 -8.049 3.416 625 H ILE 73 H ILE 73 7.548 -7.856 0.102 626 HA ILE 73 HA ILE 73 8.733 -9.520 -1.926 627 HB ILE 73 HB ILE 73 9.738 -7.431 -2.828 628 HG12 ILE 73 2HG1 ILE 73 8.509 -6.084 -0.369 629 HG13 ILE 73 3HG1 ILE 73 10.224 -6.199 -0.746 630 HG21 ILE 73 1HG2 ILE 73 6.800 -7.153 -2.091 631 HG22 ILE 73 2HG2 ILE 73 7.446 -8.086 -3.443 632 HG23 ILE 73 3HG2 ILE 73 7.617 -6.332 -3.425 633 HD11 ILE 73 1HD1 ILE 73 9.367 -3.979 -1.207 634 HD12 ILE 73 2HD1 ILE 73 8.172 -4.634 -2.321 635 HD13 ILE 73 3HD1 ILE 73 9.893 -4.754 -2.701 636 H GLU 74 H GLU 74 9.948 -8.274 1.145 637 HA GLU 74 HA GLU 74 12.740 -8.711 0.489 638 HB2 GLU 74 2HB GLU 74 13.290 -8.104 2.732 639 HB3 GLU 74 3HB GLU 74 11.977 -7.040 2.247 640 HG2 GLU 74 2HG GLU 74 10.383 -8.448 3.536 641 HG3 GLU 74 3HG GLU 74 11.720 -9.488 4.024 642 H ARG 75 H ARG 75 10.175 -10.566 2.174 643 HA ARG 75 HA ARG 75 12.018 -12.640 3.010 644 HB2 ARG 75 2HB ARG 75 10.170 -13.729 4.051 645 HB3 ARG 75 3HB ARG 75 9.956 -12.007 4.325 646 HG2 ARG 75 2HG ARG 75 8.261 -11.961 2.494 647 HG3 ARG 75 3HG ARG 75 8.448 -13.708 2.309 648 HD2 ARG 75 2HD ARG 75 7.448 -12.251 4.784 649 HD3 ARG 75 3HD ARG 75 6.478 -13.203 3.656 650 HE ARG 75 HE ARG 75 8.627 -14.369 5.334 651 HH11 ARG 75 1HH1 ARG 75 5.342 -14.553 4.074 652 HH12 ARG 75 2HH1 ARG 75 5.033 -16.095 4.805 653 HH21 ARG 75 1HH2 ARG 75 8.226 -16.389 6.234 654 HH22 ARG 75 2HH2 ARG 75 6.674 -17.136 6.027 655 H GLU 76 H GLU 76 9.693 -12.164 0.412 656 HA GLU 76 HA GLU 76 9.761 -14.819 -0.646 657 HB2 GLU 76 2HB GLU 76 7.860 -13.309 -1.073 658 HB3 GLU 76 3HB GLU 76 8.914 -12.165 -1.894 659 HG2 GLU 76 2HG GLU 76 7.581 -13.441 -3.497 660 HG3 GLU 76 3HG GLU 76 9.300 -13.769 -3.703 661 H GLY 77 H GLY 77 11.159 -11.710 -1.763 662 HA2 GLY 77 2HA GLY 77 13.228 -11.323 -2.745 663 HA3 GLY 77 3HA GLY 77 13.520 -13.055 -2.840 664 H SER 78 H SER 78 11.345 -13.979 -4.231 665 HA SER 78 HA SER 78 11.941 -13.646 -6.899 666 HB2 SER 78 2HB SER 78 9.216 -14.393 -5.757 667 HB3 SER 78 3HB SER 78 9.832 -14.816 -7.357 668 HG SER 78 HG SER 78 10.047 -16.208 -5.175 669 H SER 79 H SER 79 11.729 -11.958 -8.209 670 HA SER 79 HA SER 79 10.216 -9.615 -7.591 671 HB2 SER 79 2HB SER 79 11.771 -10.327 -10.119 672 HB3 SER 79 3HB SER 79 11.152 -8.724 -9.719 673 HG SER 79 HG SER 79 12.637 -8.503 -8.182 674 H GLU 80 H GLU 80 8.134 -10.630 -7.433 675 HA GLU 80 HA GLU 80 6.557 -10.355 -9.848 676 HB2 GLU 80 2HB GLU 80 7.185 -12.777 -9.886 677 HB3 GLU 80 3HB GLU 80 6.545 -12.979 -8.257 678 HG2 GLU 80 2HG GLU 80 4.281 -12.431 -9.074 679 HG3 GLU 80 3HG GLU 80 4.913 -12.215 -10.705 680 H VAL 81 H VAL 81 5.798 -8.547 -8.741 681 HA VAL 81 HA VAL 81 3.934 -9.028 -6.522 682 HB VAL 81 HB VAL 81 5.970 -8.380 -5.357 683 HG11 VAL 81 1HG1 VAL 81 6.104 -5.899 -7.107 684 HG12 VAL 81 2HG1 VAL 81 7.196 -7.284 -7.182 685 HG13 VAL 81 3HG1 VAL 81 7.168 -6.263 -5.743 686 HG21 VAL 81 1HG2 VAL 81 3.867 -7.480 -4.453 687 HG22 VAL 81 2HG2 VAL 81 4.040 -6.027 -5.440 688 HG23 VAL 81 3HG2 VAL 81 5.198 -6.362 -4.151 689 H GLU 82 H GLU 82 2.066 -8.031 -6.896 690 HA GLU 82 HA GLU 82 2.000 -5.481 -8.399 691 HB2 GLU 82 2HB GLU 82 1.182 -7.385 -9.824 692 HB3 GLU 82 3HB GLU 82 -0.050 -7.741 -8.613 693 HG2 GLU 82 2HG GLU 82 -0.936 -5.377 -8.973 694 HG3 GLU 82 3HG GLU 82 0.176 -5.243 -10.336 695 H VAL 83 H VAL 83 1.566 -4.080 -6.829 696 HA VAL 83 HA VAL 83 -0.181 -4.729 -4.556 697 HB VAL 83 HB VAL 83 1.689 -2.342 -5.010 698 HG11 VAL 83 1HG1 VAL 83 -0.190 -1.764 -3.520 699 HG12 VAL 83 2HG1 VAL 83 1.323 -1.834 -2.617 700 HG13 VAL 83 3HG1 VAL 83 0.167 -3.164 -2.505 701 HG21 VAL 83 1HG2 VAL 83 2.081 -4.789 -3.249 702 HG22 VAL 83 2HG2 VAL 83 3.174 -3.406 -3.354 703 HG23 VAL 83 3HG2 VAL 83 2.937 -4.452 -4.757 704 H ASN 84 H ASN 84 -2.252 -4.188 -4.881 705 HA ASN 84 HA ASN 84 -2.955 -2.027 -6.766 706 HB2 ASN 84 2HB ASN 84 -4.645 -4.280 -5.572 707 HB3 ASN 84 3HB ASN 84 -5.241 -3.052 -6.683 708 HD21 ASN 84 1HD2 ASN 84 -2.342 -5.185 -6.651 709 HD22 ASN 84 2HD2 ASN 84 -2.620 -5.812 -8.234 710 H VAL 85 H VAL 85 -2.937 -0.185 -5.632 711 HA VAL 85 HA VAL 85 -4.215 0.028 -2.992 712 HB VAL 85 HB VAL 85 -2.672 2.129 -4.605 713 HG11 VAL 85 1HG1 VAL 85 -2.635 3.444 -2.499 714 HG12 VAL 85 2HG1 VAL 85 -3.651 2.228 -1.720 715 HG13 VAL 85 3HG1 VAL 85 -4.287 3.177 -3.067 716 HG21 VAL 85 1HG2 VAL 85 -1.199 0.279 -3.905 717 HG22 VAL 85 2HG2 VAL 85 -1.730 0.472 -2.231 718 HG23 VAL 85 3HG2 VAL 85 -0.816 1.760 -3.019 719 H HIS 86 H HIS 86 -6.339 0.378 -3.084 720 HA HIS 86 HA HIS 86 -7.593 1.764 -5.377 721 HB2 HIS 86 2HB HIS 86 -8.899 -0.056 -3.297 722 HB3 HIS 86 3HB HIS 86 -9.649 0.573 -4.753 723 HD1 HIS 86 HD1 HIS 86 -9.549 -0.919 -6.782 724 HD2 HIS 86 HD2 HIS 86 -6.839 -2.072 -3.855 725 HE1 HIS 86 HE1 HIS 86 -8.686 -3.164 -7.493 726 HE2 HIS 86 HE2 HIS 86 -7.240 -3.926 -5.596 727 H SER 87 H SER 87 -8.928 3.581 -4.893 728 HA SER 87 HA SER 87 -9.744 4.229 -2.226 729 HB2 SER 87 2HB SER 87 -8.529 6.382 -2.041 730 HB3 SER 87 3HB SER 87 -7.399 5.040 -2.129 731 HG SER 87 HG SER 87 -7.772 5.799 -4.596 732 H GLY 88 H GLY 88 -11.812 4.498 -2.830 733 HA2 GLY 88 2HA GLY 88 -13.716 5.323 -3.803 734 HA3 GLY 88 3HA GLY 88 -12.839 6.840 -3.883 735 H GLY 89 H GLY 89 -12.770 3.704 -5.623 736 HA2 GLY 89 2HA GLY 89 -13.245 3.271 -7.864 737 HA3 GLY 89 3HA GLY 89 -13.360 4.989 -8.182 738 H GLN 90 H GLN 90 -10.642 5.437 -6.899 739 HA GLN 90 HA GLN 90 -9.109 5.123 -9.364 740 HB2 GLN 90 2HB GLN 90 -8.334 6.460 -6.728 741 HB3 GLN 90 3HB GLN 90 -7.494 6.637 -8.268 742 HG2 GLN 90 2HG GLN 90 -9.451 7.787 -9.213 743 HG3 GLN 90 3HG GLN 90 -10.321 7.575 -7.693 744 HE21 GLN 90 1HE2 GLN 90 -9.663 8.805 -5.862 745 HE22 GLN 90 2HE2 GLN 90 -8.713 10.237 -6.040 746 H THR 91 H THR 91 -7.448 3.620 -9.668 747 HA THR 91 HA THR 91 -6.368 2.181 -7.319 748 HB THR 91 HB THR 91 -7.408 0.838 -9.856 749 HG1 THR 91 HG1 THR 91 -8.667 1.543 -7.653 750 HG21 THR 91 1HG2 THR 91 -6.083 -0.411 -7.406 751 HG22 THR 91 2HG2 THR 91 -5.379 -0.329 -9.026 752 HG23 THR 91 3HG2 THR 91 -6.823 -1.302 -8.734 753 H TRP 92 H TRP 92 -4.237 2.089 -7.304 754 HA TRP 92 HA TRP 92 -2.619 2.464 -9.761 755 HB2 TRP 92 2HB TRP 92 -1.838 2.953 -6.840 756 HB3 TRP 92 3HB TRP 92 -0.816 3.246 -8.244 757 HD1 TRP 92 HD1 TRP 92 -1.108 5.563 -9.487 758 HE1 TRP 92 HE1 TRP 92 -2.497 7.669 -8.994 759 HE3 TRP 92 HE3 TRP 92 -4.171 3.705 -5.849 760 HZ2 TRP 92 HZ2 TRP 92 -4.605 8.443 -7.304 761 HZ3 TRP 92 HZ3 TRP 92 -5.846 5.185 -4.843 762 HH2 TRP 92 HH2 TRP 92 -6.063 7.516 -5.555 763 H THR 93 H THR 93 -1.762 0.554 -10.445 764 HA THR 93 HA THR 93 -1.150 -1.595 -8.530 765 HB THR 93 HB THR 93 -0.650 -2.919 -10.668 766 HG1 THR 93 HG1 THR 93 -0.332 -1.198 -12.102 767 HG21 THR 93 1HG2 THR 93 -3.035 -3.244 -11.265 768 HG22 THR 93 2HG2 THR 93 -3.457 -1.771 -10.384 769 HG23 THR 93 3HG2 THR 93 -2.813 -3.169 -9.519 770 H PHE 94 H PHE 94 0.709 -1.120 -7.508 771 HA PHE 94 HA PHE 94 3.068 -0.055 -8.856 772 HB2 PHE 94 2HB PHE 94 2.548 -0.820 -5.940 773 HB3 PHE 94 3HB PHE 94 4.074 -0.172 -6.528 774 HD1 PHE 94 HD1 PHE 94 4.165 2.184 -7.437 775 HD2 PHE 94 HD2 PHE 94 0.711 0.649 -5.416 776 HE1 PHE 94 HE1 PHE 94 3.382 4.478 -7.014 777 HE2 PHE 94 HE2 PHE 94 -0.057 2.947 -5.008 778 HZ PHE 94 HZ PHE 94 1.276 4.860 -5.801 779 H ASN 95 H ASN 95 4.740 -1.282 -9.506 780 HA ASN 95 HA ASN 95 5.097 -4.022 -8.500 781 HB2 ASN 95 2HB ASN 95 5.362 -4.886 -10.833 782 HB3 ASN 95 3HB ASN 95 3.730 -4.323 -10.503 783 HD21 ASN 95 1HD2 ASN 95 3.010 -2.372 -11.487 784 HD22 ASN 95 2HD2 ASN 95 3.794 -1.729 -12.886 785 H GLU 96 H GLU 96 7.175 -4.640 -8.356 786 HA GLU 96 HA GLU 96 9.332 -2.792 -8.819 787 HB2 GLU 96 2HB GLU 96 9.297 -5.726 -7.978 788 HB3 GLU 96 3HB GLU 96 10.770 -4.774 -8.113 789 HG2 GLU 96 2HG GLU 96 9.750 -3.202 -6.379 790 HG3 GLU 96 3HG GLU 96 8.511 -4.433 -6.129 791 H LYS 97 H LYS 97 10.005 -2.425 -10.905 792 HA LYS 97 HA LYS 97 9.882 -4.449 -12.966 793 HB2 LYS 97 2HB LYS 97 9.664 -1.801 -13.195 794 HB3 LYS 97 3HB LYS 97 11.416 -1.836 -13.297 795 HG2 LYS 97 2HG LYS 97 9.520 -3.319 -15.156 796 HG3 LYS 97 3HG LYS 97 10.259 -1.766 -15.513 797 HD2 LYS 97 2HD LYS 97 11.881 -4.288 -15.009 798 HD3 LYS 97 3HD LYS 97 11.312 -3.822 -16.610 799 HE2 LYS 97 2HE LYS 97 13.515 -3.027 -16.541 800 HE3 LYS 97 3HE LYS 97 12.560 -1.593 -16.196 801 HZ1 LYS 97 1HZ LYS 97 13.998 -3.262 -14.203 802 HZ2 LYS 97 2HZ LYS 97 13.072 -1.899 -13.840 803 HZ3 LYS 97 3HZ LYS 97 14.477 -1.740 -14.765 Start of MODEL 12 1 H1 MET 1 1H MET 1 -16.932 -24.786 20.654 2 H2 MET 1 2H MET 1 -16.148 -25.224 22.086 3 H3 MET 1 3H MET 1 -15.257 -25.012 20.670 4 HA MET 1 HA MET 1 -15.808 -22.674 20.621 5 HB2 MET 1 2HB MET 1 -17.195 -23.298 23.269 6 HB3 MET 1 3HB MET 1 -16.860 -21.672 22.688 7 HG2 MET 1 2HG MET 1 -18.331 -22.027 20.767 8 HG3 MET 1 3HG MET 1 -18.636 -23.686 21.285 9 HE1 MET 1 1HE MET 1 -19.061 -19.869 22.251 10 HE2 MET 1 2HE MET 1 -18.364 -20.532 23.732 11 HE3 MET 1 3HE MET 1 -20.039 -19.984 23.715 12 H GLY 2 H GLY 2 -13.664 -22.417 20.643 13 HA2 GLY 2 2HA GLY 2 -12.280 -21.741 23.022 14 HA3 GLY 2 3HA GLY 2 -11.782 -23.341 22.467 15 H HIS 3 H HIS 3 -10.391 -20.667 22.562 16 HA HIS 3 HA HIS 3 -9.322 -20.687 19.831 17 HB2 HIS 3 2HB HIS 3 -9.391 -18.203 19.693 18 HB3 HIS 3 3HB HIS 3 -11.005 -18.890 19.792 19 HD1 HIS 3 HD1 HIS 3 -8.735 -16.529 21.464 20 HD2 HIS 3 HD2 HIS 3 -12.308 -18.449 22.347 21 HE1 HIS 3 HE1 HIS 3 -9.670 -15.319 23.447 22 HE2 HIS 3 HE2 HIS 3 -11.923 -16.362 23.827 23 H HIS 4 H HIS 4 -7.205 -20.957 20.022 24 HA HIS 4 HA HIS 4 -5.690 -19.437 22.043 25 HB2 HIS 4 2HB HIS 4 -5.879 -21.772 22.902 26 HB3 HIS 4 3HB HIS 4 -5.201 -22.385 21.398 27 HD1 HIS 4 HD1 HIS 4 -4.238 -20.862 24.645 28 HD2 HIS 4 HD2 HIS 4 -2.388 -21.879 21.069 29 HE1 HIS 4 HE1 HIS 4 -1.778 -20.736 25.100 30 HE2 HIS 4 HE2 HIS 4 -0.679 -21.247 22.897 31 H HIS 5 H HIS 5 -4.911 -18.002 20.606 32 HA HIS 5 HA HIS 5 -3.563 -18.867 18.140 33 HB2 HIS 5 2HB HIS 5 -4.201 -16.111 19.279 34 HB3 HIS 5 3HB HIS 5 -3.325 -16.371 17.774 35 HD1 HIS 5 HD1 HIS 5 -4.739 -16.378 15.743 36 HD2 HIS 5 HD2 HIS 5 -6.950 -17.295 19.140 37 HE1 HIS 5 HE1 HIS 5 -7.127 -16.526 14.970 38 HE2 HIS 5 HE2 HIS 5 -8.447 -17.056 17.048 39 H HIS 6 H HIS 6 -1.443 -17.333 17.815 40 HA HIS 6 HA HIS 6 0.454 -18.223 19.787 41 HB2 HIS 6 2HB HIS 6 2.157 -17.012 18.380 42 HB3 HIS 6 3HB HIS 6 1.208 -18.203 17.507 43 HD1 HIS 6 HD1 HIS 6 0.795 -14.432 18.101 44 HD2 HIS 6 HD2 HIS 6 0.629 -17.250 15.055 45 HE1 HIS 6 HE1 HIS 6 0.310 -13.135 16.013 46 HE2 HIS 6 HE2 HIS 6 0.241 -14.850 14.183 47 H HIS 7 H HIS 7 1.731 -17.001 21.138 48 HA HIS 7 HA HIS 7 0.517 -14.600 22.288 49 HB2 HIS 7 2HB HIS 7 1.130 -16.471 23.737 50 HB3 HIS 7 3HB HIS 7 2.783 -16.452 23.149 51 HD1 HIS 7 HD1 HIS 7 0.435 -14.216 25.147 52 HD2 HIS 7 HD2 HIS 7 4.480 -15.070 24.749 53 HE1 HIS 7 HE1 HIS 7 1.574 -12.929 26.974 54 HE2 HIS 7 HE2 HIS 7 4.014 -13.500 26.750 55 H HIS 8 H HIS 8 2.450 -14.959 19.755 56 HA HIS 8 HA HIS 8 4.191 -14.102 18.695 57 HB2 HIS 8 2HB HIS 8 4.434 -11.698 18.557 58 HB3 HIS 8 3HB HIS 8 2.730 -12.088 18.668 59 HD1 HIS 8 HD1 HIS 8 1.418 -10.883 20.434 60 HD2 HIS 8 HD2 HIS 8 5.519 -10.495 20.958 61 HE1 HIS 8 HE1 HIS 8 1.706 -9.193 22.265 62 HE2 HIS 8 HE2 HIS 8 4.190 -8.839 22.411 63 H GLU 9 H GLU 9 4.656 -15.361 21.283 64 HA GLU 9 HA GLU 9 6.925 -14.271 22.587 65 HB2 GLU 9 2HB GLU 9 5.423 -16.143 23.439 66 HB3 GLU 9 3HB GLU 9 6.191 -17.216 22.277 67 HG2 GLU 9 2HG GLU 9 7.190 -17.589 24.427 68 HG3 GLU 9 3HG GLU 9 8.382 -16.790 23.402 69 H ASN 10 H ASN 10 6.425 -16.001 19.651 70 HA ASN 10 HA ASN 10 8.802 -17.048 18.804 71 HB2 ASN 10 2HB ASN 10 6.957 -15.278 17.128 72 HB3 ASN 10 3HB ASN 10 8.060 -16.509 16.510 73 HD21 ASN 10 1HD2 ASN 10 7.543 -18.714 16.876 74 HD22 ASN 10 2HD2 ASN 10 5.940 -19.214 17.265 75 H LEU 11 H LEU 11 7.839 -13.655 18.879 76 HA LEU 11 HA LEU 11 8.858 -11.677 18.655 77 HB2 LEU 11 2HB LEU 11 10.058 -12.577 20.678 78 HB3 LEU 11 3HB LEU 11 11.329 -13.177 19.628 79 HG LEU 11 HG LEU 11 11.872 -10.833 18.958 80 HD11 LEU 11 1HD1 LEU 11 9.692 -9.783 19.276 81 HD12 LEU 11 2HD1 LEU 11 10.932 -8.923 20.182 82 HD13 LEU 11 3HD1 LEU 11 9.815 -9.999 21.024 83 HD21 LEU 11 1HD2 LEU 11 11.953 -11.309 21.957 84 HD22 LEU 11 2HD2 LEU 11 12.955 -10.163 21.061 85 HD23 LEU 11 3HD2 LEU 11 13.129 -11.891 20.773 86 H TYR 12 H TYR 12 8.432 -12.496 16.346 87 HA TYR 12 HA TYR 12 10.685 -12.938 14.645 88 HB2 TYR 12 2HB TYR 12 9.078 -12.778 12.773 89 HB3 TYR 12 3HB TYR 12 8.506 -13.871 14.024 90 HD1 TYR 12 HD1 TYR 12 6.731 -12.911 15.710 91 HD2 TYR 12 HD2 TYR 12 7.645 -11.063 11.965 92 HE1 TYR 12 HE1 TYR 12 4.617 -11.668 15.802 93 HE2 TYR 12 HE2 TYR 12 5.533 -9.822 12.064 94 HH TYR 12 HH TYR 12 3.447 -9.801 13.111 95 H PHE 13 H PHE 13 12.160 -11.319 14.790 96 HA PHE 13 HA PHE 13 11.359 -8.507 14.353 97 HB2 PHE 13 2HB PHE 13 12.945 -9.220 16.253 98 HB3 PHE 13 3HB PHE 13 14.141 -9.586 15.017 99 HD1 PHE 13 HD1 PHE 13 12.064 -6.810 16.432 100 HD2 PHE 13 HD2 PHE 13 15.547 -7.820 14.165 101 HE1 PHE 13 HE1 PHE 13 12.773 -4.455 16.462 102 HE2 PHE 13 HE2 PHE 13 16.253 -5.464 14.202 103 HZ PHE 13 HZ PHE 13 14.866 -3.775 15.346 104 H GLN 14 H GLN 14 10.851 -10.040 12.213 105 HA GLN 14 HA GLN 14 13.052 -10.109 10.313 106 HB2 GLN 14 2HB GLN 14 10.105 -10.815 9.911 107 HB3 GLN 14 3HB GLN 14 11.423 -11.182 8.800 108 HG2 GLN 14 2HG GLN 14 11.078 -12.297 11.598 109 HG3 GLN 14 3HG GLN 14 10.804 -13.166 10.088 110 HE21 GLN 14 1HE2 GLN 14 12.697 -13.634 12.372 111 HE22 GLN 14 2HE2 GLN 14 14.253 -13.776 11.635 112 H SER 15 H SER 15 13.464 -7.887 10.414 113 HA SER 15 HA SER 15 11.848 -6.175 8.676 114 HB2 SER 15 2HB SER 15 12.611 -5.421 11.546 115 HB3 SER 15 3HB SER 15 11.881 -4.329 10.367 116 HG SER 15 HG SER 15 10.473 -6.653 10.668 117 H HIS 16 H HIS 16 13.495 -6.199 7.220 118 HA HIS 16 HA HIS 16 16.169 -5.161 7.902 119 HB2 HIS 16 2HB HIS 16 15.027 -6.234 5.266 120 HB3 HIS 16 3HB HIS 16 16.693 -5.710 5.506 121 HD1 HIS 16 HD1 HIS 16 14.311 -8.487 6.431 122 HD2 HIS 16 HD2 HIS 16 18.351 -7.575 6.781 123 HE1 HIS 16 HE1 HIS 16 15.407 -10.599 7.221 124 HE2 HIS 16 HE2 HIS 16 17.870 -10.092 7.162 125 H MET 17 H MET 17 13.185 -4.465 6.227 126 HA MET 17 HA MET 17 12.119 -2.650 5.530 127 HB2 MET 17 2HB MET 17 12.795 -1.903 7.879 128 HB3 MET 17 3HB MET 17 14.098 -0.984 7.141 129 HG2 MET 17 2HG MET 17 11.201 -0.557 6.403 130 HG3 MET 17 3HG MET 17 11.963 0.272 7.753 131 HE1 MET 17 1HE MET 17 14.528 2.626 6.007 132 HE2 MET 17 2HE MET 17 14.853 1.065 6.761 133 HE3 MET 17 3HE MET 17 13.732 2.196 7.522 134 H THR 18 H THR 18 12.489 -2.798 3.384 135 HA THR 18 HA THR 18 14.915 -2.549 2.043 136 HB THR 18 HB THR 18 13.057 -3.765 1.052 137 HG1 THR 18 HG1 THR 18 14.267 -3.258 -0.624 138 HG21 THR 18 1HG2 THR 18 11.677 -1.088 0.661 139 HG22 THR 18 2HG2 THR 18 11.175 -2.356 1.782 140 HG23 THR 18 3HG2 THR 18 11.117 -2.642 0.042 141 H ASP 19 H ASP 19 12.616 -0.049 2.876 142 HA ASP 19 HA ASP 19 12.891 2.131 3.241 143 HB2 ASP 19 2HB ASP 19 15.226 1.655 3.862 144 HB3 ASP 19 3HB ASP 19 15.719 1.755 2.177 145 H GLU 20 H GLU 20 14.602 1.526 0.163 146 HA GLU 20 HA GLU 20 14.212 3.894 -1.107 147 HB2 GLU 20 2HB GLU 20 15.518 1.664 -1.752 148 HB3 GLU 20 3HB GLU 20 14.101 1.345 -2.730 149 HG2 GLU 20 2HG GLU 20 15.914 3.766 -2.976 150 HG3 GLU 20 3HG GLU 20 15.948 2.347 -4.010 151 H LEU 21 H LEU 21 12.213 1.021 -1.936 152 HA LEU 21 HA LEU 21 10.367 2.576 -3.483 153 HB2 LEU 21 2HB LEU 21 9.193 0.424 -3.861 154 HB3 LEU 21 3HB LEU 21 10.909 0.342 -4.180 155 HG LEU 21 HG LEU 21 11.031 -0.690 -1.726 156 HD11 LEU 21 1HD1 LEU 21 9.103 -2.085 -1.132 157 HD12 LEU 21 2HD1 LEU 21 8.169 -1.377 -2.453 158 HD13 LEU 21 3HD1 LEU 21 8.696 -0.370 -1.103 159 HD21 LEU 21 1HD2 LEU 21 10.863 -2.961 -2.654 160 HD22 LEU 21 2HD2 LEU 21 11.724 -1.890 -3.755 161 HD23 LEU 21 3HD2 LEU 21 10.047 -2.331 -4.088 162 H LEU 22 H LEU 22 10.516 1.831 -0.149 163 HA LEU 22 HA LEU 22 7.758 1.714 0.511 164 HB2 LEU 22 2HB LEU 22 10.150 2.478 2.235 165 HB3 LEU 22 3HB LEU 22 8.529 2.224 2.857 166 HG LEU 22 HG LEU 22 10.362 0.134 1.629 167 HD11 LEU 22 1HD1 LEU 22 10.865 0.683 3.963 168 HD12 LEU 22 2HD1 LEU 22 10.227 -0.952 3.827 169 HD13 LEU 22 3HD1 LEU 22 9.193 0.350 4.425 170 HD21 LEU 22 1HD2 LEU 22 8.092 -0.307 0.832 171 HD22 LEU 22 2HD2 LEU 22 7.469 -0.229 2.482 172 HD23 LEU 22 3HD2 LEU 22 8.579 -1.522 2.013 173 H GLU 23 H GLU 23 10.105 4.375 0.457 174 HA GLU 23 HA GLU 23 8.508 6.440 1.466 175 HB2 GLU 23 2HB GLU 23 10.892 6.786 1.175 176 HB3 GLU 23 3HB GLU 23 10.783 6.529 -0.566 177 HG2 GLU 23 2HG GLU 23 9.591 8.602 -0.872 178 HG3 GLU 23 3HG GLU 23 9.409 8.821 0.866 179 H ARG 24 H ARG 24 8.837 5.183 -1.805 180 HA ARG 24 HA ARG 24 7.334 7.110 -3.208 181 HB2 ARG 24 2HB ARG 24 7.695 4.169 -3.936 182 HB3 ARG 24 3HB ARG 24 7.269 5.475 -5.041 183 HG2 ARG 24 2HG ARG 24 9.501 6.526 -4.586 184 HG3 ARG 24 3HG ARG 24 9.912 5.135 -3.585 185 HD2 ARG 24 2HD ARG 24 9.645 3.660 -5.584 186 HD3 ARG 24 3HD ARG 24 9.337 5.090 -6.574 187 HE ARG 24 HE ARG 24 11.893 4.335 -5.298 188 HH11 ARG 24 1HH1 ARG 24 10.215 6.495 -7.539 189 HH12 ARG 24 2HH1 ARG 24 11.687 7.121 -8.199 190 HH21 ARG 24 1HH2 ARG 24 13.776 5.181 -6.159 191 HH22 ARG 24 2HH2 ARG 24 13.716 6.377 -7.416 192 H LEU 25 H LEU 25 6.388 4.248 -1.397 193 HA LEU 25 HA LEU 25 3.662 4.113 -2.372 194 HB2 LEU 25 2HB LEU 25 5.015 2.796 0.029 195 HB3 LEU 25 3HB LEU 25 3.414 2.383 -0.572 196 HG LEU 25 HG LEU 25 5.984 2.035 -2.172 197 HD11 LEU 25 1HD1 LEU 25 4.396 -0.081 -0.687 198 HD12 LEU 25 2HD1 LEU 25 5.991 0.526 -0.240 199 HD13 LEU 25 3HD1 LEU 25 5.784 -0.375 -1.739 200 HD21 LEU 25 1HD2 LEU 25 3.167 1.058 -2.759 201 HD22 LEU 25 2HD2 LEU 25 4.606 0.702 -3.719 202 HD23 LEU 25 3HD2 LEU 25 4.016 2.357 -3.601 203 H ARG 26 H ARG 26 5.352 5.269 0.503 204 HA ARG 26 HA ARG 26 3.256 6.073 2.135 205 HB2 ARG 26 2HB ARG 26 5.672 6.005 2.812 206 HB3 ARG 26 3HB ARG 26 5.972 7.444 1.846 207 HG2 ARG 26 2HG ARG 26 4.399 8.713 3.291 208 HG3 ARG 26 3HG ARG 26 4.158 7.265 4.272 209 HD2 ARG 26 2HD ARG 26 6.794 8.713 3.873 210 HD3 ARG 26 3HD ARG 26 5.765 8.825 5.303 211 HE ARG 26 HE ARG 26 6.162 6.252 5.357 212 HH11 ARG 26 1HH1 ARG 26 8.550 8.682 4.507 213 HH12 ARG 26 2HH1 ARG 26 9.893 7.738 5.058 214 HH21 ARG 26 1HH2 ARG 26 7.947 5.008 6.089 215 HH22 ARG 26 2HH2 ARG 26 9.551 5.652 5.955 216 H GLN 27 H GLN 27 4.897 7.852 -0.452 217 HA GLN 27 HA GLN 27 3.729 10.377 -0.041 218 HB2 GLN 27 2HB GLN 27 4.699 9.173 -2.665 219 HB3 GLN 27 3HB GLN 27 4.405 10.884 -2.379 220 HG2 GLN 27 2HG GLN 27 6.518 9.194 -1.019 221 HG3 GLN 27 3HG GLN 27 6.796 10.351 -2.311 222 HE21 GLN 27 1HE2 GLN 27 6.009 9.962 1.074 223 HE22 GLN 27 2HE2 GLN 27 6.315 11.593 1.547 224 H LEU 28 H LEU 28 2.591 7.597 -1.954 225 HA LEU 28 HA LEU 28 0.365 8.933 -3.161 226 HB2 LEU 28 2HB LEU 28 1.297 6.855 -4.126 227 HB3 LEU 28 3HB LEU 28 0.820 5.961 -2.685 228 HG LEU 28 HG LEU 28 -1.597 6.561 -3.212 229 HD11 LEU 28 1HD1 LEU 28 -2.179 7.254 -5.490 230 HD12 LEU 28 2HD1 LEU 28 -0.471 7.491 -5.864 231 HD13 LEU 28 3HD1 LEU 28 -1.257 8.492 -4.641 232 HD21 LEU 28 1HD2 LEU 28 -0.169 4.888 -5.289 233 HD22 LEU 28 2HD2 LEU 28 -1.896 4.848 -4.929 234 HD23 LEU 28 3HD2 LEU 28 -0.734 4.339 -3.708 235 H PHE 29 H PHE 29 0.709 6.842 -0.289 236 HA PHE 29 HA PHE 29 -2.028 6.789 0.447 237 HB2 PHE 29 2HB PHE 29 0.401 6.527 2.245 238 HB3 PHE 29 3HB PHE 29 -1.230 6.021 2.659 239 HD1 PHE 29 HD1 PHE 29 -1.905 4.671 -0.041 240 HD2 PHE 29 HD2 PHE 29 1.527 4.433 2.507 241 HE1 PHE 29 HE1 PHE 29 -1.409 2.422 -0.896 242 HE2 PHE 29 HE2 PHE 29 2.010 2.180 1.640 243 HZ PHE 29 HZ PHE 29 0.544 1.172 -0.065 244 H GLU 30 H GLU 30 0.589 9.049 1.232 245 HA GLU 30 HA GLU 30 -0.902 10.698 3.044 246 HB2 GLU 30 2HB GLU 30 1.659 11.279 1.493 247 HB3 GLU 30 3HB GLU 30 0.966 12.366 2.693 248 HG2 GLU 30 2HG GLU 30 1.229 10.544 4.410 249 HG3 GLU 30 3HG GLU 30 2.050 9.579 3.185 250 H GLU 31 H GLU 31 -0.479 10.601 -0.423 251 HA GLU 31 HA GLU 31 -1.584 13.117 -1.115 252 HB2 GLU 31 2HB GLU 31 -0.313 11.574 -2.660 253 HB3 GLU 31 3HB GLU 31 -1.709 10.506 -2.691 254 HG2 GLU 31 2HG GLU 31 -1.704 11.813 -4.704 255 HG3 GLU 31 3HG GLU 31 -3.050 12.347 -3.700 256 H LEU 32 H LEU 32 -2.982 9.958 -0.449 257 HA LEU 32 HA LEU 32 -5.747 10.653 -0.910 258 HB2 LEU 32 2HB LEU 32 -4.525 8.317 0.617 259 HB3 LEU 32 3HB LEU 32 -6.186 8.415 0.045 260 HG LEU 32 HG LEU 32 -3.726 8.337 -1.742 261 HD11 LEU 32 1HD1 LEU 32 -4.436 6.068 -2.369 262 HD12 LEU 32 2HD1 LEU 32 -5.733 6.138 -1.174 263 HD13 LEU 32 3HD1 LEU 32 -4.048 6.181 -0.652 264 HD21 LEU 32 1HD2 LEU 32 -5.282 8.123 -3.601 265 HD22 LEU 32 2HD2 LEU 32 -5.563 9.626 -2.736 266 HD23 LEU 32 3HD2 LEU 32 -6.656 8.258 -2.507 267 H HIS 33 H HIS 33 -3.568 10.714 1.795 268 HA HIS 33 HA HIS 33 -5.249 10.690 4.009 269 HB2 HIS 33 2HB HIS 33 -2.813 10.459 4.166 270 HB3 HIS 33 3HB HIS 33 -2.584 12.116 3.630 271 HD1 HIS 33 HD1 HIS 33 -2.790 13.948 5.389 272 HD2 HIS 33 HD2 HIS 33 -3.680 10.176 6.842 273 HE1 HIS 33 HE1 HIS 33 -3.022 14.235 7.864 274 HE2 HIS 33 HE2 HIS 33 -3.746 11.975 8.700 275 H GLU 34 H GLU 34 -4.827 13.280 1.716 276 HA GLU 34 HA GLU 34 -5.535 15.572 3.126 277 HB2 GLU 34 2HB GLU 34 -6.413 16.477 0.987 278 HB3 GLU 34 3HB GLU 34 -4.873 15.656 0.764 279 HG2 GLU 34 2HG GLU 34 -5.947 13.731 -0.223 280 HG3 GLU 34 3HG GLU 34 -7.544 14.341 0.191 281 H ARG 35 H ARG 35 -7.636 13.042 1.857 282 HA ARG 35 HA ARG 35 -9.991 14.186 3.240 283 HB2 ARG 35 2HB ARG 35 -11.364 13.140 1.458 284 HB3 ARG 35 3HB ARG 35 -10.268 14.361 0.840 285 HG2 ARG 35 2HG ARG 35 -8.765 12.073 0.508 286 HG3 ARG 35 3HG ARG 35 -10.399 11.462 0.270 287 HD2 ARG 35 2HD ARG 35 -9.046 13.704 -1.266 288 HD3 ARG 35 3HD ARG 35 -9.454 12.098 -1.868 289 HE ARG 35 HE ARG 35 -11.835 12.737 -1.609 290 HH11 ARG 35 1HH1 ARG 35 -9.444 15.340 -1.916 291 HH12 ARG 35 2HH1 ARG 35 -10.596 16.479 -2.541 292 HH21 ARG 35 1HH2 ARG 35 -13.315 14.239 -2.433 293 HH22 ARG 35 2HH2 ARG 35 -12.804 15.847 -2.833 294 H GLY 36 H GLY 36 -7.709 11.806 3.306 295 HA2 GLY 36 2HA GLY 36 -7.480 10.306 5.085 296 HA3 GLY 36 3HA GLY 36 -9.218 10.302 5.323 297 H THR 37 H THR 37 -10.410 9.502 3.336 298 HA THR 37 HA THR 37 -11.253 7.667 2.395 299 HB THR 37 HB THR 37 -9.916 6.668 0.505 300 HG1 THR 37 HG1 THR 37 -7.822 7.383 1.801 301 HG21 THR 37 1HG2 THR 37 -9.931 9.695 0.656 302 HG22 THR 37 2HG2 THR 37 -11.271 8.671 0.131 303 HG23 THR 37 3HG2 THR 37 -9.787 8.741 -0.818 304 H GLU 38 H GLU 38 -10.990 5.326 1.762 305 HA GLU 38 HA GLU 38 -9.734 3.811 3.973 306 HB2 GLU 38 2HB GLU 38 -11.411 2.031 3.378 307 HB3 GLU 38 3HB GLU 38 -12.098 3.519 4.006 308 HG2 GLU 38 2HG GLU 38 -12.627 4.187 1.624 309 HG3 GLU 38 3HG GLU 38 -12.114 2.577 1.121 310 H ILE 39 H ILE 39 -7.808 3.070 3.366 311 HA ILE 39 HA ILE 39 -7.227 2.594 0.529 312 HB ILE 39 HB ILE 39 -5.252 2.665 2.863 313 HG12 ILE 39 2HG1 ILE 39 -5.965 4.966 0.966 314 HG13 ILE 39 3HG1 ILE 39 -6.503 4.856 2.637 315 HG21 ILE 39 1HG2 ILE 39 -4.442 1.522 0.831 316 HG22 ILE 39 2HG2 ILE 39 -3.573 3.033 1.084 317 HG23 ILE 39 3HG2 ILE 39 -4.839 2.941 -0.143 318 HD11 ILE 39 1HD1 ILE 39 -3.642 5.111 1.712 319 HD12 ILE 39 2HD1 ILE 39 -4.178 5.004 3.394 320 HD13 ILE 39 3HD1 ILE 39 -4.647 6.385 2.402 321 H VAL 40 H VAL 40 -7.640 0.596 -0.087 322 HA VAL 40 HA VAL 40 -7.002 -1.757 1.560 323 HB VAL 40 HB VAL 40 -8.596 -1.619 -1.054 324 HG11 VAL 40 1HG1 VAL 40 -8.284 -3.909 0.930 325 HG12 VAL 40 2HG1 VAL 40 -7.563 -3.816 -0.678 326 HG13 VAL 40 3HG1 VAL 40 -9.314 -3.920 -0.507 327 HG21 VAL 40 1HG2 VAL 40 -9.787 -0.410 0.727 328 HG22 VAL 40 2HG2 VAL 40 -9.674 -1.819 1.786 329 HG23 VAL 40 3HG2 VAL 40 -10.633 -1.901 0.305 330 H VAL 41 H VAL 41 -4.907 -2.228 1.240 331 HA VAL 41 HA VAL 41 -3.621 -1.892 -1.386 332 HB VAL 41 HB VAL 41 -2.407 -2.611 1.330 333 HG11 VAL 41 1HG1 VAL 41 -0.235 -2.081 0.287 334 HG12 VAL 41 2HG1 VAL 41 -1.031 -1.836 -1.269 335 HG13 VAL 41 3HG1 VAL 41 -1.026 -3.434 -0.521 336 HG21 VAL 41 1HG2 VAL 41 -2.465 0.063 -0.120 337 HG22 VAL 41 2HG2 VAL 41 -1.604 -0.276 1.385 338 HG23 VAL 41 3HG2 VAL 41 -3.365 -0.353 1.343 339 H GLU 42 H GLU 42 -3.610 -3.576 -2.684 340 HA GLU 42 HA GLU 42 -3.893 -6.323 -1.644 341 HB2 GLU 42 2HB GLU 42 -5.790 -5.442 -2.995 342 HB3 GLU 42 3HB GLU 42 -4.690 -5.119 -4.331 343 HG2 GLU 42 2HG GLU 42 -4.256 -7.512 -4.590 344 HG3 GLU 42 3HG GLU 42 -5.293 -7.868 -3.207 345 H VAL 43 H VAL 43 -1.921 -7.249 -1.607 346 HA VAL 43 HA VAL 43 0.155 -6.475 -3.549 347 HB VAL 43 HB VAL 43 0.436 -8.115 -0.971 348 HG11 VAL 43 1HG1 VAL 43 2.550 -6.812 -2.724 349 HG12 VAL 43 2HG1 VAL 43 2.253 -8.544 -2.545 350 HG13 VAL 43 3HG1 VAL 43 2.845 -7.606 -1.174 351 HG21 VAL 43 1HG2 VAL 43 1.332 -6.053 0.062 352 HG22 VAL 43 2HG2 VAL 43 -0.345 -5.848 -0.444 353 HG23 VAL 43 3HG2 VAL 43 0.956 -5.145 -1.408 354 H HIS 44 H HIS 44 -0.001 -7.684 -5.340 355 HA HIS 44 HA HIS 44 -0.800 -10.476 -5.361 356 HB2 HIS 44 2HB HIS 44 -0.015 -8.563 -7.597 357 HB3 HIS 44 3HB HIS 44 -0.495 -10.230 -7.866 358 HD1 HIS 44 HD1 HIS 44 -2.047 -7.949 -9.183 359 HD2 HIS 44 HD2 HIS 44 -3.082 -9.654 -5.546 360 HE1 HIS 44 HE1 HIS 44 -4.518 -7.566 -8.944 361 HE2 HIS 44 HE2 HIS 44 -5.116 -8.603 -6.739 362 H ILE 45 H ILE 45 0.754 -11.844 -4.712 363 HA ILE 45 HA ILE 45 3.420 -11.737 -5.990 364 HB ILE 45 HB ILE 45 2.739 -12.346 -3.076 365 HG12 ILE 45 2HG1 ILE 45 4.619 -10.342 -4.421 366 HG13 ILE 45 3HG1 ILE 45 3.160 -9.985 -3.505 367 HG21 ILE 45 1HG2 ILE 45 4.209 -14.157 -3.826 368 HG22 ILE 45 2HG2 ILE 45 5.067 -13.089 -2.718 369 HG23 ILE 45 3HG2 ILE 45 5.366 -12.982 -4.454 370 HD11 ILE 45 1HD1 ILE 45 5.091 -9.430 -2.213 371 HD12 ILE 45 2HD1 ILE 45 5.758 -11.049 -2.415 372 HD13 ILE 45 3HD1 ILE 45 4.285 -10.810 -1.468 373 H ASN 46 H ASN 46 3.746 -13.434 -7.225 374 HA ASN 46 HA ASN 46 3.801 -15.518 -8.096 375 HB2 ASN 46 2HB ASN 46 3.194 -16.315 -5.218 376 HB3 ASN 46 3HB ASN 46 3.628 -17.464 -6.480 377 HD21 ASN 46 1HD2 ASN 46 5.669 -15.968 -7.771 378 HD22 ASN 46 2HD2 ASN 46 7.007 -15.842 -6.687 379 H GLY 47 H GLY 47 1.275 -14.022 -8.110 380 HA2 GLY 47 2HA GLY 47 -0.680 -14.510 -9.328 381 HA3 GLY 47 3HA GLY 47 -0.573 -16.197 -8.849 382 H GLU 48 H GLU 48 -0.075 -15.158 -5.999 383 HA GLU 48 HA GLU 48 -2.831 -15.351 -5.132 384 HB2 GLU 48 2HB GLU 48 -0.258 -15.017 -3.535 385 HB3 GLU 48 3HB GLU 48 -1.836 -15.402 -2.853 386 HG2 GLU 48 2HG GLU 48 -1.845 -17.566 -3.965 387 HG3 GLU 48 3HG GLU 48 -0.349 -17.173 -4.812 388 H ARG 49 H ARG 49 -4.093 -13.718 -4.337 389 HA ARG 49 HA ARG 49 -3.034 -10.980 -4.201 390 HB2 ARG 49 2HB ARG 49 -5.411 -10.277 -4.006 391 HB3 ARG 49 3HB ARG 49 -5.106 -11.227 -5.455 392 HG2 ARG 49 2HG ARG 49 -6.063 -13.227 -4.263 393 HG3 ARG 49 3HG ARG 49 -6.477 -12.164 -2.920 394 HD2 ARG 49 2HD ARG 49 -7.935 -10.847 -4.401 395 HD3 ARG 49 3HD ARG 49 -7.525 -11.902 -5.759 396 HE ARG 49 HE ARG 49 -8.969 -12.778 -3.318 397 HH11 ARG 49 1HH1 ARG 49 -8.459 -13.053 -6.796 398 HH12 ARG 49 2HH1 ARG 49 -9.704 -14.240 -7.001 399 HH21 ARG 49 1HH2 ARG 49 -10.601 -14.340 -3.622 400 HH22 ARG 49 2HH2 ARG 49 -10.913 -14.967 -5.209 401 H ASP 50 H ASP 50 -2.205 -10.381 -2.361 402 HA ASP 50 HA ASP 50 -3.102 -11.301 0.276 403 HB2 ASP 50 2HB ASP 50 -0.675 -11.027 -0.113 404 HB3 ASP 50 3HB ASP 50 -0.913 -9.367 -0.645 405 H GLU 51 H GLU 51 -4.388 -9.995 1.634 406 HA GLU 51 HA GLU 51 -5.374 -7.449 0.463 407 HB2 GLU 51 2HB GLU 51 -7.037 -9.355 0.498 408 HB3 GLU 51 3HB GLU 51 -6.945 -9.355 2.255 409 HG2 GLU 51 2HG GLU 51 -7.740 -6.985 2.255 410 HG3 GLU 51 3HG GLU 51 -7.914 -7.073 0.502 411 H ILE 52 H ILE 52 -4.875 -5.722 1.576 412 HA ILE 52 HA ILE 52 -4.651 -5.772 4.541 413 HB ILE 52 HB ILE 52 -3.247 -3.728 2.732 414 HG12 ILE 52 2HG1 ILE 52 -1.798 -6.135 3.935 415 HG13 ILE 52 3HG1 ILE 52 -2.429 -6.151 2.294 416 HG21 ILE 52 1HG2 ILE 52 -1.871 -3.289 4.741 417 HG22 ILE 52 2HG2 ILE 52 -2.754 -4.530 5.633 418 HG23 ILE 52 3HG2 ILE 52 -3.588 -3.074 5.087 419 HD11 ILE 52 1HD1 ILE 52 -0.050 -5.637 2.366 420 HD12 ILE 52 2HD1 ILE 52 -0.381 -4.203 3.340 421 HD13 ILE 52 3HD1 ILE 52 -0.986 -4.307 1.685 422 H ARG 53 H ARG 53 -6.200 -4.455 5.503 423 HA ARG 53 HA ARG 53 -7.490 -2.319 3.873 424 HB2 ARG 53 2HB ARG 53 -8.812 -4.041 6.024 425 HB3 ARG 53 3HB ARG 53 -9.581 -2.714 5.159 426 HG2 ARG 53 2HG ARG 53 -9.320 -4.005 3.028 427 HG3 ARG 53 3HG ARG 53 -8.652 -5.343 3.965 428 HD2 ARG 53 2HD ARG 53 -10.789 -5.449 5.261 429 HD3 ARG 53 3HD ARG 53 -11.447 -4.184 4.215 430 HE ARG 53 HE ARG 53 -10.438 -6.482 2.811 431 HH11 ARG 53 1HH1 ARG 53 -13.307 -5.149 4.355 432 HH12 ARG 53 2HH1 ARG 53 -14.394 -6.167 3.464 433 HH21 ARG 53 1HH2 ARG 53 -11.850 -7.839 1.693 434 HH22 ARG 53 2HH2 ARG 53 -13.566 -7.699 1.952 435 H VAL 54 H VAL 54 -7.188 -0.326 4.706 436 HA VAL 54 HA VAL 54 -7.424 0.052 7.608 437 HB VAL 54 HB VAL 54 -4.917 0.116 6.753 438 HG11 VAL 54 1HG1 VAL 54 -5.735 2.916 5.940 439 HG12 VAL 54 2HG1 VAL 54 -5.260 1.612 4.849 440 HG13 VAL 54 3HG1 VAL 54 -4.089 2.274 5.990 441 HG21 VAL 54 1HG2 VAL 54 -5.580 0.672 9.033 442 HG22 VAL 54 2HG2 VAL 54 -6.001 2.314 8.541 443 HG23 VAL 54 3HG2 VAL 54 -4.321 1.774 8.472 444 H ARG 55 H ARG 55 -8.521 2.032 8.146 445 HA ARG 55 HA ARG 55 -9.596 3.578 5.845 446 HB2 ARG 55 2HB ARG 55 -11.344 2.558 8.132 447 HB3 ARG 55 3HB ARG 55 -11.878 3.418 6.691 448 HG2 ARG 55 2HG ARG 55 -11.110 1.445 5.313 449 HG3 ARG 55 3HG ARG 55 -10.759 0.607 6.820 450 HD2 ARG 55 2HD ARG 55 -12.897 -0.147 6.034 451 HD3 ARG 55 3HD ARG 55 -13.180 0.859 7.457 452 HE ARG 55 HE ARG 55 -13.622 1.695 4.645 453 HH11 ARG 55 1HH1 ARG 55 -14.475 1.955 8.055 454 HH12 ARG 55 2HH1 ARG 55 -15.783 3.048 7.761 455 HH21 ARG 55 1HH2 ARG 55 -15.328 3.146 4.276 456 HH22 ARG 55 2HH2 ARG 55 -16.273 3.727 5.611 457 H ASN 56 H ASN 56 -8.885 5.569 6.170 458 HA ASN 56 HA ASN 56 -8.541 7.642 6.969 459 HB2 ASN 56 2HB ASN 56 -10.620 7.019 9.110 460 HB3 ASN 56 3HB ASN 56 -10.101 8.613 8.587 461 HD21 ASN 56 1HD2 ASN 56 -10.184 7.496 5.682 462 HD22 ASN 56 2HD2 ASN 56 -11.857 7.600 5.289 463 H ILE 57 H ILE 57 -6.424 7.408 7.609 464 HA ILE 57 HA ILE 57 -5.827 7.153 10.474 465 HB ILE 57 HB ILE 57 -3.745 5.670 9.633 466 HG12 ILE 57 2HG1 ILE 57 -4.445 3.998 7.899 467 HG13 ILE 57 3HG1 ILE 57 -5.894 4.938 7.584 468 HG21 ILE 57 1HG2 ILE 57 -4.962 3.632 10.284 469 HG22 ILE 57 2HG2 ILE 57 -6.496 4.493 10.128 470 HG23 ILE 57 3HG2 ILE 57 -5.330 4.983 11.359 471 HD11 ILE 57 1HD1 ILE 57 -3.060 5.841 7.084 472 HD12 ILE 57 2HD1 ILE 57 -4.523 6.749 6.695 473 HD13 ILE 57 3HD1 ILE 57 -4.185 5.225 5.875 474 H SER 58 H SER 58 -3.371 7.577 10.822 475 HA SER 58 HA SER 58 -2.758 10.166 9.611 476 HB2 SER 58 2HB SER 58 -1.344 8.628 11.836 477 HB3 SER 58 3HB SER 58 -1.090 10.325 11.420 478 HG SER 58 HG SER 58 -3.484 10.473 11.827 479 H LYS 59 H LYS 59 -0.249 10.598 9.279 480 HA LYS 59 HA LYS 59 0.678 9.149 7.056 481 HB2 LYS 59 2HB LYS 59 2.713 10.466 7.156 482 HB3 LYS 59 3HB LYS 59 1.357 11.501 7.586 483 HG2 LYS 59 2HG LYS 59 1.918 11.289 9.965 484 HG3 LYS 59 3HG LYS 59 3.260 10.218 9.559 485 HD2 LYS 59 2HD LYS 59 4.372 12.051 8.331 486 HD3 LYS 59 3HD LYS 59 3.023 13.132 8.705 487 HE2 LYS 59 2HE LYS 59 4.823 11.809 10.764 488 HE3 LYS 59 3HE LYS 59 4.967 13.477 10.207 489 HZ1 LYS 59 1HZ LYS 59 2.625 12.323 11.630 490 HZ2 LYS 59 2HZ LYS 59 2.751 13.913 11.084 491 HZ3 LYS 59 3HZ LYS 59 3.780 13.358 12.300 492 H GLU 60 H GLU 60 1.320 8.735 10.473 493 HA GLU 60 HA GLU 60 3.556 6.949 10.155 494 HB2 GLU 60 2HB GLU 60 3.479 6.755 12.590 495 HB3 GLU 60 3HB GLU 60 3.322 8.437 12.104 496 HG2 GLU 60 2HG GLU 60 0.832 8.227 12.409 497 HG3 GLU 60 3HG GLU 60 1.103 6.617 13.071 498 H GLU 61 H GLU 61 0.102 6.578 10.337 499 HA GLU 61 HA GLU 61 0.232 3.705 10.853 500 HB2 GLU 61 2HB GLU 61 -2.165 5.537 10.515 501 HB3 GLU 61 3HB GLU 61 -2.249 3.823 10.910 502 HG2 GLU 61 2HG GLU 61 -1.079 6.037 12.616 503 HG3 GLU 61 3HG GLU 61 -2.529 5.084 12.937 504 H LEU 62 H LEU 62 -0.310 5.847 8.098 505 HA LEU 62 HA LEU 62 -1.108 3.694 6.344 506 HB2 LEU 62 2HB LEU 62 -0.689 5.262 4.478 507 HB3 LEU 62 3HB LEU 62 -1.763 5.894 5.701 508 HG LEU 62 HG LEU 62 0.350 7.153 6.598 509 HD11 LEU 62 1HD1 LEU 62 1.293 6.609 3.775 510 HD12 LEU 62 2HD1 LEU 62 2.063 6.066 5.260 511 HD13 LEU 62 3HD1 LEU 62 1.999 7.786 4.883 512 HD21 LEU 62 1HD2 LEU 62 -1.001 8.012 4.023 513 HD22 LEU 62 2HD2 LEU 62 -0.106 9.069 5.117 514 HD23 LEU 62 3HD2 LEU 62 -1.591 8.295 5.663 515 H LYS 63 H LYS 63 1.908 4.876 7.606 516 HA LYS 63 HA LYS 63 3.736 3.579 5.932 517 HB2 LYS 63 2HB LYS 63 3.905 3.776 8.963 518 HB3 LYS 63 3HB LYS 63 5.225 3.295 7.908 519 HG2 LYS 63 2HG LYS 63 5.055 5.598 6.851 520 HG3 LYS 63 3HG LYS 63 3.954 6.020 8.161 521 HD2 LYS 63 2HD LYS 63 6.867 5.194 8.413 522 HD3 LYS 63 3HD LYS 63 6.189 6.784 8.731 523 HE2 LYS 63 2HE LYS 63 6.593 5.835 10.863 524 HE3 LYS 63 3HE LYS 63 4.858 5.673 10.626 525 HZ1 LYS 63 1HZ LYS 63 5.076 3.362 10.253 526 HZ2 LYS 63 2HZ LYS 63 6.089 3.682 11.564 527 HZ3 LYS 63 3HZ LYS 63 6.745 3.459 10.027 528 H LYS 64 H LYS 64 1.517 2.308 8.372 529 HA LYS 64 HA LYS 64 2.670 -0.242 8.762 530 HB2 LYS 64 2HB LYS 64 -0.269 0.555 8.952 531 HB3 LYS 64 3HB LYS 64 0.425 -0.921 9.616 532 HG2 LYS 64 2HG LYS 64 1.188 1.895 10.452 533 HG3 LYS 64 3HG LYS 64 0.079 0.840 11.336 534 HD2 LYS 64 2HD LYS 64 1.837 -0.700 11.890 535 HD3 LYS 64 3HD LYS 64 2.957 0.048 10.744 536 HE2 LYS 64 2HE LYS 64 3.492 0.667 13.059 537 HE3 LYS 64 3HE LYS 64 3.034 2.075 12.101 538 HZ1 LYS 64 1HZ LYS 64 0.848 2.030 13.103 539 HZ2 LYS 64 2HZ LYS 64 2.024 2.085 14.315 540 HZ3 LYS 64 3HZ LYS 64 1.229 0.631 13.975 541 H LEU 65 H LEU 65 0.849 1.066 6.126 542 HA LEU 65 HA LEU 65 -0.008 -1.388 4.908 543 HB2 LEU 65 2HB LEU 65 0.433 1.394 3.737 544 HB3 LEU 65 3HB LEU 65 -0.397 0.087 2.912 545 HG LEU 65 HG LEU 65 -1.323 1.393 5.493 546 HD11 LEU 65 1HD1 LEU 65 -3.107 2.390 4.151 547 HD12 LEU 65 2HD1 LEU 65 -2.440 1.667 2.687 548 HD13 LEU 65 3HD1 LEU 65 -1.524 2.895 3.565 549 HD21 LEU 65 1HD2 LEU 65 -3.373 0.064 5.232 550 HD22 LEU 65 2HD2 LEU 65 -1.968 -0.990 5.385 551 HD23 LEU 65 3HD2 LEU 65 -2.705 -0.722 3.801 552 H LEU 66 H LEU 66 2.705 0.845 4.244 553 HA LEU 66 HA LEU 66 3.935 -0.900 2.304 554 HB2 LEU 66 2HB LEU 66 5.771 0.780 2.305 555 HB3 LEU 66 3HB LEU 66 4.184 1.445 2.003 556 HG LEU 66 HG LEU 66 4.257 1.999 4.613 557 HD11 LEU 66 1HD1 LEU 66 6.389 0.911 5.094 558 HD12 LEU 66 2HD1 LEU 66 6.451 2.640 5.427 559 HD13 LEU 66 3HD1 LEU 66 7.203 1.998 3.967 560 HD21 LEU 66 1HD2 LEU 66 4.003 3.676 2.858 561 HD22 LEU 66 2HD2 LEU 66 5.748 3.681 2.594 562 HD23 LEU 66 3HD2 LEU 66 5.085 4.234 4.133 563 H GLU 67 H GLU 67 4.058 -0.649 5.734 564 HA GLU 67 HA GLU 67 6.513 -2.144 6.116 565 HB2 GLU 67 2HB GLU 67 4.269 -1.413 8.052 566 HB3 GLU 67 3HB GLU 67 5.716 -2.301 8.526 567 HG2 GLU 67 2HG GLU 67 7.105 -0.362 7.821 568 HG3 GLU 67 3HG GLU 67 5.634 0.511 7.410 569 H ARG 68 H ARG 68 3.045 -2.822 5.954 570 HA ARG 68 HA ARG 68 3.175 -5.628 6.304 571 HB2 ARG 68 2HB ARG 68 1.278 -3.867 4.701 572 HB3 ARG 68 3HB ARG 68 1.076 -5.611 4.769 573 HG2 ARG 68 2HG ARG 68 1.137 -3.873 7.247 574 HG3 ARG 68 3HG ARG 68 -0.346 -4.237 6.368 575 HD2 ARG 68 2HD ARG 68 -0.209 -6.535 6.874 576 HD3 ARG 68 3HD ARG 68 1.473 -6.418 7.397 577 HE ARG 68 HE ARG 68 -0.706 -5.102 8.893 578 HH11 ARG 68 1HH1 ARG 68 2.042 -7.327 8.861 579 HH12 ARG 68 2HH1 ARG 68 2.017 -7.560 10.582 580 HH21 ARG 68 1HH2 ARG 68 -0.750 -5.486 11.141 581 HH22 ARG 68 2HH2 ARG 68 0.442 -6.523 11.860 582 H ILE 69 H ILE 69 3.540 -3.573 3.433 583 HA ILE 69 HA ILE 69 3.932 -5.628 1.509 584 HB ILE 69 HB ILE 69 4.823 -2.703 1.427 585 HG12 ILE 69 2HG1 ILE 69 2.333 -3.958 0.175 586 HG13 ILE 69 3HG1 ILE 69 2.333 -3.109 1.713 587 HG21 ILE 69 1HG2 ILE 69 4.583 -4.680 -0.881 588 HG22 ILE 69 2HG2 ILE 69 6.079 -3.999 -0.240 589 HG23 ILE 69 3HG2 ILE 69 4.913 -2.952 -1.044 590 HD11 ILE 69 1HD1 ILE 69 3.008 -1.915 -0.971 591 HD12 ILE 69 2HD1 ILE 69 3.046 -1.059 0.574 592 HD13 ILE 69 3HD1 ILE 69 1.523 -1.686 -0.049 593 H ARG 70 H ARG 70 6.165 -3.874 3.650 594 HA ARG 70 HA ARG 70 8.559 -4.679 2.355 595 HB2 ARG 70 2HB ARG 70 9.753 -3.628 4.031 596 HB3 ARG 70 3HB ARG 70 8.205 -2.820 4.216 597 HG2 ARG 70 2HG ARG 70 7.659 -4.293 6.111 598 HG3 ARG 70 3HG ARG 70 9.186 -5.141 5.903 599 HD2 ARG 70 2HD ARG 70 10.397 -3.026 6.406 600 HD3 ARG 70 3HD ARG 70 8.837 -2.234 6.698 601 HE ARG 70 HE ARG 70 9.558 -4.653 8.224 602 HH11 ARG 70 1HH1 ARG 70 8.871 -1.220 8.240 603 HH12 ARG 70 2HH1 ARG 70 8.736 -1.131 9.964 604 HH21 ARG 70 1HH2 ARG 70 9.367 -4.514 10.502 605 HH22 ARG 70 2HH2 ARG 70 9.017 -2.985 11.234 606 H GLU 71 H GLU 71 6.543 -6.171 4.844 607 HA GLU 71 HA GLU 71 8.214 -8.317 5.606 608 HB2 GLU 71 2HB GLU 71 5.163 -8.241 5.427 609 HB3 GLU 71 3HB GLU 71 6.090 -9.478 6.272 610 HG2 GLU 71 2HG GLU 71 6.891 -7.806 7.880 611 HG3 GLU 71 3HG GLU 71 6.035 -6.539 7.005 612 H LYS 72 H LYS 72 6.202 -7.725 2.823 613 HA LYS 72 HA LYS 72 6.005 -10.473 1.989 614 HB2 LYS 72 2HB LYS 72 5.285 -7.998 0.364 615 HB3 LYS 72 3HB LYS 72 4.705 -9.643 0.128 616 HG2 LYS 72 2HG LYS 72 4.061 -7.809 2.441 617 HG3 LYS 72 3HG LYS 72 2.956 -8.313 1.164 618 HD2 LYS 72 2HD LYS 72 2.825 -10.551 2.034 619 HD3 LYS 72 3HD LYS 72 4.249 -10.318 3.055 620 HE2 LYS 72 2HE LYS 72 2.121 -10.326 4.351 621 HE3 LYS 72 3HE LYS 72 3.035 -8.827 4.519 622 HZ1 LYS 72 1HZ LYS 72 1.554 -7.779 2.947 623 HZ2 LYS 72 2HZ LYS 72 0.662 -8.432 4.224 624 HZ3 LYS 72 3HZ LYS 72 0.703 -9.219 2.735 625 H ILE 73 H ILE 73 7.786 -7.579 0.872 626 HA ILE 73 HA ILE 73 9.144 -8.982 -1.241 627 HB ILE 73 HB ILE 73 10.552 -6.933 -1.500 628 HG12 ILE 73 2HG1 ILE 73 9.690 -4.831 -0.192 629 HG13 ILE 73 3HG1 ILE 73 9.058 -5.976 0.979 630 HG21 ILE 73 1HG2 ILE 73 8.725 -5.466 -2.280 631 HG22 ILE 73 2HG2 ILE 73 7.558 -6.413 -1.353 632 HG23 ILE 73 3HG2 ILE 73 8.426 -7.154 -2.700 633 HD11 ILE 73 1HD1 ILE 73 11.962 -5.643 0.215 634 HD12 ILE 73 2HD1 ILE 73 11.335 -6.757 1.434 635 HD13 ILE 73 3HD1 ILE 73 11.185 -5.017 1.668 636 H GLU 74 H GLU 74 9.731 -8.669 2.155 637 HA GLU 74 HA GLU 74 12.528 -9.466 2.051 638 HB2 GLU 74 2HB GLU 74 10.555 -9.074 4.330 639 HB3 GLU 74 3HB GLU 74 12.165 -9.728 4.610 640 HG2 GLU 74 2HG GLU 74 13.193 -7.674 3.771 641 HG3 GLU 74 3HG GLU 74 11.602 -7.033 3.353 642 H ARG 75 H ARG 75 9.510 -11.058 3.195 643 HA ARG 75 HA ARG 75 10.911 -13.518 3.828 644 HB2 ARG 75 2HB ARG 75 7.912 -12.998 3.801 645 HB3 ARG 75 3HB ARG 75 8.731 -14.342 4.590 646 HG2 ARG 75 2HG ARG 75 9.688 -12.844 6.269 647 HG3 ARG 75 3HG ARG 75 9.080 -11.430 5.398 648 HD2 ARG 75 2HD ARG 75 7.475 -13.532 6.877 649 HD3 ARG 75 3HD ARG 75 7.540 -11.791 7.181 650 HE ARG 75 HE ARG 75 6.580 -11.815 4.690 651 HH11 ARG 75 1HH1 ARG 75 5.537 -13.663 7.498 652 HH12 ARG 75 2HH1 ARG 75 3.910 -13.820 6.927 653 HH21 ARG 75 1HH2 ARG 75 4.499 -12.227 3.868 654 HH22 ARG 75 2HH2 ARG 75 3.323 -13.012 4.880 655 H GLU 76 H GLU 76 8.407 -12.521 1.455 656 HA GLU 76 HA GLU 76 8.462 -15.046 0.048 657 HB2 GLU 76 2HB GLU 76 7.166 -12.367 -0.600 658 HB3 GLU 76 3HB GLU 76 7.086 -13.736 -1.697 659 HG2 GLU 76 2HG GLU 76 5.032 -13.535 -0.414 660 HG3 GLU 76 3HG GLU 76 5.852 -15.040 -0.035 661 H GLY 77 H GLY 77 9.694 -11.739 -0.559 662 HA2 GLY 77 2HA GLY 77 11.405 -10.936 -1.860 663 HA3 GLY 77 3HA GLY 77 12.143 -12.514 -1.671 664 H SER 78 H SER 78 9.063 -11.935 -3.235 665 HA SER 78 HA SER 78 10.026 -13.285 -5.637 666 HB2 SER 78 2HB SER 78 7.216 -12.485 -4.774 667 HB3 SER 78 3HB SER 78 7.623 -13.525 -6.145 668 HG SER 78 HG SER 78 8.846 -14.519 -4.010 669 H SER 79 H SER 79 10.359 -12.296 -7.518 670 HA SER 79 HA SER 79 10.408 -9.445 -7.748 671 HB2 SER 79 2HB SER 79 10.791 -11.517 -9.950 672 HB3 SER 79 3HB SER 79 11.391 -9.860 -9.936 673 HG SER 79 HG SER 79 12.535 -10.635 -7.911 674 H GLU 80 H GLU 80 8.162 -11.959 -8.703 675 HA GLU 80 HA GLU 80 6.525 -10.199 -10.320 676 HB2 GLU 80 2HB GLU 80 4.923 -12.118 -10.450 677 HB3 GLU 80 3HB GLU 80 6.522 -12.473 -11.064 678 HG2 GLU 80 2HG GLU 80 5.742 -13.287 -8.261 679 HG3 GLU 80 3HG GLU 80 5.270 -14.260 -9.649 680 H VAL 81 H VAL 81 6.415 -8.609 -8.686 681 HA VAL 81 HA VAL 81 4.308 -9.066 -6.657 682 HB VAL 81 HB VAL 81 6.451 -8.791 -5.506 683 HG11 VAL 81 1HG1 VAL 81 7.841 -6.765 -5.680 684 HG12 VAL 81 2HG1 VAL 81 6.794 -6.144 -6.958 685 HG13 VAL 81 3HG1 VAL 81 7.736 -7.612 -7.225 686 HG21 VAL 81 1HG2 VAL 81 4.763 -6.270 -5.214 687 HG22 VAL 81 2HG2 VAL 81 5.919 -6.880 -4.027 688 HG23 VAL 81 3HG2 VAL 81 4.476 -7.816 -4.410 689 H GLU 82 H GLU 82 2.642 -7.672 -6.719 690 HA GLU 82 HA GLU 82 2.766 -5.201 -8.313 691 HB2 GLU 82 2HB GLU 82 1.875 -6.991 -9.801 692 HB3 GLU 82 3HB GLU 82 0.621 -7.349 -8.627 693 HG2 GLU 82 2HG GLU 82 -0.311 -5.069 -8.938 694 HG3 GLU 82 3HG GLU 82 0.929 -4.744 -10.150 695 H VAL 83 H VAL 83 2.306 -3.691 -6.824 696 HA VAL 83 HA VAL 83 0.470 -4.250 -4.588 697 HB VAL 83 HB VAL 83 2.349 -1.877 -5.103 698 HG11 VAL 83 1HG1 VAL 83 1.840 -1.152 -2.799 699 HG12 VAL 83 2HG1 VAL 83 0.653 -2.449 -2.640 700 HG13 VAL 83 3HG1 VAL 83 0.391 -1.151 -3.805 701 HG21 VAL 83 1HG2 VAL 83 3.700 -2.805 -3.248 702 HG22 VAL 83 2HG2 VAL 83 3.562 -3.953 -4.580 703 HG23 VAL 83 3HG2 VAL 83 2.596 -4.180 -3.120 704 H ASN 84 H ASN 84 -1.574 -3.811 -4.973 705 HA ASN 84 HA ASN 84 -2.422 -1.745 -6.914 706 HB2 ASN 84 2HB ASN 84 -3.929 -4.175 -5.816 707 HB3 ASN 84 3HB ASN 84 -4.539 -3.054 -7.033 708 HD21 ASN 84 1HD2 ASN 84 -2.193 -5.587 -6.383 709 HD22 ASN 84 2HD2 ASN 84 -1.857 -5.965 -8.036 710 H VAL 85 H VAL 85 -2.814 0.087 -5.800 711 HA VAL 85 HA VAL 85 -3.914 0.017 -3.078 712 HB VAL 85 HB VAL 85 -2.880 2.377 -4.732 713 HG11 VAL 85 1HG1 VAL 85 -2.869 3.611 -2.575 714 HG12 VAL 85 2HG1 VAL 85 -3.643 2.232 -1.786 715 HG13 VAL 85 3HG1 VAL 85 -4.495 3.119 -3.051 716 HG21 VAL 85 1HG2 VAL 85 -1.498 0.805 -2.514 717 HG22 VAL 85 2HG2 VAL 85 -0.855 2.247 -3.306 718 HG23 VAL 85 3HG2 VAL 85 -1.087 0.764 -4.230 719 H HIS 86 H HIS 86 -6.031 -0.030 -2.946 720 HA HIS 86 HA HIS 86 -7.769 1.434 -4.843 721 HB2 HIS 86 2HB HIS 86 -8.391 -0.872 -2.921 722 HB3 HIS 86 3HB HIS 86 -9.595 -0.042 -3.909 723 HD1 HIS 86 HD1 HIS 86 -10.060 -1.124 -6.101 724 HD2 HIS 86 HD2 HIS 86 -6.330 -2.227 -4.632 725 HE1 HIS 86 HE1 HIS 86 -9.187 -2.845 -7.712 726 HE2 HIS 86 HE2 HIS 86 -6.866 -3.370 -6.896 727 H SER 87 H SER 87 -9.089 3.045 -3.992 728 HA SER 87 HA SER 87 -9.593 3.322 -1.174 729 HB2 SER 87 2HB SER 87 -8.586 5.657 -1.042 730 HB3 SER 87 3HB SER 87 -7.405 4.351 -1.143 731 HG SER 87 HG SER 87 -7.377 6.395 -2.615 732 H GLY 88 H GLY 88 -11.731 3.431 -1.451 733 HA2 GLY 88 2HA GLY 88 -13.800 4.348 -1.805 734 HA3 GLY 88 3HA GLY 88 -12.978 5.876 -2.051 735 H GLY 89 H GLY 89 -12.415 3.071 -4.088 736 HA2 GLY 89 2HA GLY 89 -13.608 2.546 -6.123 737 HA3 GLY 89 3HA GLY 89 -13.997 4.248 -6.313 738 H GLN 90 H GLN 90 -11.156 4.965 -5.515 739 HA GLN 90 HA GLN 90 -10.062 4.964 -8.201 740 HB2 GLN 90 2HB GLN 90 -8.845 6.058 -5.623 741 HB3 GLN 90 3HB GLN 90 -8.310 6.418 -7.261 742 HG2 GLN 90 2HG GLN 90 -10.569 7.475 -7.679 743 HG3 GLN 90 3HG GLN 90 -10.926 7.256 -5.970 744 HE21 GLN 90 1HE2 GLN 90 -8.154 7.911 -5.133 745 HE22 GLN 90 2HE2 GLN 90 -8.001 9.617 -5.316 746 H THR 91 H THR 91 -8.139 3.941 -8.887 747 HA THR 91 HA THR 91 -6.862 1.979 -7.093 748 HB THR 91 HB THR 91 -7.984 1.323 -9.864 749 HG1 THR 91 HG1 THR 91 -9.457 1.386 -7.967 750 HG21 THR 91 1HG2 THR 91 -6.525 -0.513 -7.921 751 HG22 THR 91 2HG2 THR 91 -5.844 0.120 -9.420 752 HG23 THR 91 3HG2 THR 91 -7.223 -0.975 -9.476 753 H TRP 92 H TRP 92 -4.711 1.721 -7.424 754 HA TRP 92 HA TRP 92 -3.400 2.745 -9.873 755 HB2 TRP 92 2HB TRP 92 -2.373 3.050 -7.004 756 HB3 TRP 92 3HB TRP 92 -1.460 3.467 -8.451 757 HD1 TRP 92 HD1 TRP 92 -2.053 5.815 -9.633 758 HE1 TRP 92 HE1 TRP 92 -3.472 7.823 -8.891 759 HE3 TRP 92 HE3 TRP 92 -4.460 3.685 -5.663 760 HZ2 TRP 92 HZ2 TRP 92 -5.368 8.429 -6.888 761 HZ3 TRP 92 HZ3 TRP 92 -6.054 5.041 -4.383 762 HH2 TRP 92 HH2 TRP 92 -6.489 7.364 -4.985 763 H THR 93 H THR 93 -2.533 1.007 -10.848 764 HA THR 93 HA THR 93 -1.780 -1.372 -9.285 765 HB THR 93 HB THR 93 -1.672 -2.530 -11.489 766 HG1 THR 93 HG1 THR 93 -2.285 0.069 -12.466 767 HG21 THR 93 1HG2 THR 93 -3.849 -2.504 -10.324 768 HG22 THR 93 2HG2 THR 93 -4.069 -2.461 -12.073 769 HG23 THR 93 3HG2 THR 93 -4.269 -0.986 -11.123 770 H PHE 94 H PHE 94 0.226 -1.082 -8.469 771 HA PHE 94 HA PHE 94 2.467 -0.154 -10.165 772 HB2 PHE 94 2HB PHE 94 2.364 -0.734 -7.154 773 HB3 PHE 94 3HB PHE 94 3.772 -0.128 -8.024 774 HD1 PHE 94 HD1 PHE 94 3.665 2.170 -9.091 775 HD2 PHE 94 HD2 PHE 94 0.676 0.755 -6.384 776 HE1 PHE 94 HE1 PHE 94 2.909 4.478 -8.715 777 HE2 PHE 94 HE2 PHE 94 -0.071 3.056 -6.013 778 HZ PHE 94 HZ PHE 94 1.035 4.925 -7.176 779 H ASN 95 H ASN 95 3.956 -1.606 -10.897 780 HA ASN 95 HA ASN 95 4.160 -4.278 -9.688 781 HB2 ASN 95 2HB ASN 95 4.063 -5.376 -11.948 782 HB3 ASN 95 3HB ASN 95 2.532 -4.658 -11.461 783 HD21 ASN 95 1HD2 ASN 95 1.795 -2.773 -12.544 784 HD22 ASN 95 2HD2 ASN 95 2.421 -2.319 -14.090 785 H GLU 96 H GLU 96 6.122 -5.423 -10.372 786 HA GLU 96 HA GLU 96 8.415 -3.769 -10.270 787 HB2 GLU 96 2HB GLU 96 7.990 -6.396 -9.722 788 HB3 GLU 96 3HB GLU 96 8.686 -6.588 -11.319 789 HG2 GLU 96 2HG GLU 96 9.990 -5.312 -8.894 790 HG3 GLU 96 3HG GLU 96 10.405 -6.856 -9.627 791 H LYS 97 H LYS 97 9.637 -2.880 -11.853 792 HA LYS 97 HA LYS 97 9.302 -3.572 -14.663 793 HB2 LYS 97 2HB LYS 97 8.904 -1.016 -15.167 794 HB3 LYS 97 3HB LYS 97 7.555 -2.036 -14.708 795 HG2 LYS 97 2HG LYS 97 7.182 -0.081 -13.488 796 HG3 LYS 97 3HG LYS 97 7.920 -1.160 -12.306 797 HD2 LYS 97 2HD LYS 97 10.125 -0.017 -12.780 798 HD3 LYS 97 3HD LYS 97 9.245 1.138 -13.782 799 HE2 LYS 97 2HE LYS 97 7.898 1.801 -11.799 800 HE3 LYS 97 3HE LYS 97 8.815 0.664 -10.808 801 HZ1 LYS 97 1HZ LYS 97 9.638 2.935 -10.603 802 HZ2 LYS 97 2HZ LYS 97 9.965 2.983 -12.260 803 HZ3 LYS 97 3HZ LYS 97 10.814 1.916 -11.265 Start of MODEL 13 1 H1 MET 1 1H MET 1 -4.167 17.916 9.675 2 H2 MET 1 2H MET 1 -3.377 17.018 10.867 3 H3 MET 1 3H MET 1 -4.188 16.230 9.615 4 HA MET 1 HA MET 1 -2.675 17.050 7.999 5 HB2 MET 1 2HB MET 1 -1.303 18.411 10.364 6 HB3 MET 1 3HB MET 1 -0.620 18.307 8.742 7 HG2 MET 1 2HG MET 1 -3.188 19.733 9.486 8 HG3 MET 1 3HG MET 1 -1.636 20.499 9.133 9 HE1 MET 1 1HE MET 1 -2.947 22.060 7.338 10 HE2 MET 1 2HE MET 1 -4.471 21.219 7.629 11 HE3 MET 1 3HE MET 1 -3.869 21.410 5.983 12 H GLY 2 H GLY 2 -0.295 16.265 7.792 13 HA2 GLY 2 2HA GLY 2 1.079 14.662 9.529 14 HA3 GLY 2 3HA GLY 2 -0.139 13.586 8.855 15 H HIS 3 H HIS 3 2.826 15.174 8.329 16 HA HIS 3 HA HIS 3 3.249 13.731 5.799 17 HB2 HIS 3 2HB HIS 3 3.366 16.699 6.192 18 HB3 HIS 3 3HB HIS 3 4.778 16.031 5.396 19 HD1 HIS 3 HD1 HIS 3 3.279 17.920 3.722 20 HD2 HIS 3 HD2 HIS 3 2.246 13.901 3.890 21 HE1 HIS 3 HE1 HIS 3 2.072 17.440 1.565 22 HE2 HIS 3 HE2 HIS 3 1.622 14.973 1.626 23 H HIS 4 H HIS 4 5.560 13.493 5.307 24 HA HIS 4 HA HIS 4 7.313 13.448 7.705 25 HB2 HIS 4 2HB HIS 4 7.556 11.775 5.150 26 HB3 HIS 4 3HB HIS 4 8.580 11.657 6.577 27 HD1 HIS 4 HD1 HIS 4 5.386 10.509 5.161 28 HD2 HIS 4 HD2 HIS 4 7.281 10.432 8.862 29 HE1 HIS 4 HE1 HIS 4 4.147 8.806 6.513 30 HE2 HIS 4 HE2 HIS 4 5.190 8.906 8.797 31 H HIS 5 H HIS 5 9.242 14.512 7.579 32 HA HIS 5 HA HIS 5 9.887 16.021 5.114 33 HB2 HIS 5 2HB HIS 5 9.291 17.446 7.062 34 HB3 HIS 5 3HB HIS 5 10.546 16.673 8.030 35 HD1 HIS 5 HD1 HIS 5 12.808 17.752 7.941 36 HD2 HIS 5 HD2 HIS 5 10.390 18.970 4.790 37 HE1 HIS 5 HE1 HIS 5 14.122 19.498 6.715 38 HE2 HIS 5 HE2 HIS 5 12.675 20.173 4.783 39 H HIS 6 H HIS 6 11.342 14.751 4.068 40 HA HIS 6 HA HIS 6 13.767 13.830 5.521 41 HB2 HIS 6 2HB HIS 6 12.567 12.799 2.904 42 HB3 HIS 6 3HB HIS 6 14.141 12.310 3.517 43 HD1 HIS 6 HD1 HIS 6 13.728 9.885 4.029 44 HD2 HIS 6 HD2 HIS 6 10.746 12.325 5.593 45 HE1 HIS 6 HE1 HIS 6 12.262 8.381 5.395 46 HE2 HIS 6 HE2 HIS 6 10.596 9.911 6.476 47 H HIS 7 H HIS 7 14.876 15.847 5.373 48 HA HIS 7 HA HIS 7 15.711 16.738 2.688 49 HB2 HIS 7 2HB HIS 7 16.823 18.594 3.729 50 HB3 HIS 7 3HB HIS 7 15.284 18.439 4.563 51 HD1 HIS 7 HD1 HIS 7 15.432 17.325 7.024 52 HD2 HIS 7 HD2 HIS 7 19.043 18.505 5.358 53 HE1 HIS 7 HE1 HIS 7 17.048 17.439 8.933 54 HE2 HIS 7 HE2 HIS 7 19.143 18.377 7.937 55 H HIS 8 H HIS 8 18.148 16.790 2.264 56 HA HIS 8 HA HIS 8 19.845 15.461 1.589 57 HB2 HIS 8 2HB HIS 8 19.636 14.454 4.441 58 HB3 HIS 8 3HB HIS 8 20.697 13.634 3.307 59 HD1 HIS 8 HD1 HIS 8 23.027 14.404 3.548 60 HD2 HIS 8 HD2 HIS 8 20.337 17.460 4.353 61 HE1 HIS 8 HE1 HIS 8 24.430 16.408 4.073 62 HE2 HIS 8 HE2 HIS 8 22.787 18.283 4.377 63 H GLU 9 H GLU 9 19.476 14.120 -0.032 64 HA GLU 9 HA GLU 9 16.988 12.816 -0.296 65 HB2 GLU 9 2HB GLU 9 19.404 12.530 -2.120 66 HB3 GLU 9 3HB GLU 9 17.721 12.247 -2.544 67 HG2 GLU 9 2HG GLU 9 19.019 14.907 -1.914 68 HG3 GLU 9 3HG GLU 9 18.458 14.345 -3.483 69 H ASN 10 H ASN 10 20.174 11.610 0.580 70 HA ASN 10 HA ASN 10 20.955 9.632 1.352 71 HB2 ASN 10 2HB ASN 10 19.013 9.781 2.878 72 HB3 ASN 10 3HB ASN 10 17.989 8.983 1.702 73 HD21 ASN 10 1HD2 ASN 10 18.042 6.728 1.581 74 HD22 ASN 10 2HD2 ASN 10 18.895 5.741 2.715 75 H LEU 11 H LEU 11 20.259 10.033 -1.560 76 HA LEU 11 HA LEU 11 19.722 7.326 -2.569 77 HB2 LEU 11 2HB LEU 11 20.195 9.872 -4.179 78 HB3 LEU 11 3HB LEU 11 19.506 8.367 -4.762 79 HG LEU 11 HG LEU 11 18.183 10.256 -2.778 80 HD11 LEU 11 1HD1 LEU 11 18.236 11.264 -4.993 81 HD12 LEU 11 2HD1 LEU 11 16.591 10.793 -4.576 82 HD13 LEU 11 3HD1 LEU 11 17.526 9.811 -5.706 83 HD21 LEU 11 1HD2 LEU 11 16.157 8.878 -3.053 84 HD22 LEU 11 2HD2 LEU 11 17.484 7.972 -2.334 85 HD23 LEU 11 3HD2 LEU 11 17.075 7.731 -4.034 86 H TYR 12 H TYR 12 21.936 6.893 -1.360 87 HA TYR 12 HA TYR 12 24.315 7.392 -2.977 88 HB2 TYR 12 2HB TYR 12 23.881 5.718 -0.468 89 HB3 TYR 12 3HB TYR 12 25.436 5.868 -1.274 90 HD1 TYR 12 HD1 TYR 12 22.842 7.778 0.637 91 HD2 TYR 12 HD2 TYR 12 26.831 7.820 -0.927 92 HE1 TYR 12 HE1 TYR 12 23.347 9.794 1.955 93 HE2 TYR 12 HE2 TYR 12 27.319 9.829 0.402 94 HH TYR 12 HH TYR 12 26.165 11.663 1.468 95 H PHE 13 H PHE 13 22.806 4.408 -1.722 96 HA PHE 13 HA PHE 13 23.302 3.003 -4.275 97 HB2 PHE 13 2HB PHE 13 22.507 1.938 -1.517 98 HB3 PHE 13 3HB PHE 13 22.677 0.942 -2.961 99 HD1 PHE 13 HD1 PHE 13 24.926 0.479 -3.924 100 HD2 PHE 13 HD2 PHE 13 24.504 2.809 -0.355 101 HE1 PHE 13 HE1 PHE 13 27.324 0.193 -3.446 102 HE2 PHE 13 HE2 PHE 13 26.909 2.524 0.107 103 HZ PHE 13 HZ PHE 13 28.315 1.213 -1.434 104 H GLN 14 H GLN 14 20.698 2.496 -1.901 105 HA GLN 14 HA GLN 14 18.506 2.794 -1.800 106 HB2 GLN 14 2HB GLN 14 19.034 5.137 -2.421 107 HB3 GLN 14 3HB GLN 14 18.804 4.735 -4.118 108 HG2 GLN 14 2HG GLN 14 16.839 5.866 -3.268 109 HG3 GLN 14 3HG GLN 14 16.429 4.201 -3.655 110 HE21 GLN 14 1HE2 GLN 14 16.874 6.514 -1.057 111 HE22 GLN 14 2HE2 GLN 14 16.093 5.572 0.162 112 H SER 15 H SER 15 19.691 1.862 -4.956 113 HA SER 15 HA SER 15 17.263 1.206 -6.222 114 HB2 SER 15 2HB SER 15 18.829 -0.081 -7.786 115 HB3 SER 15 3HB SER 15 19.211 1.626 -7.561 116 HG SER 15 HG SER 15 20.679 -0.569 -6.956 117 H HIS 16 H HIS 16 19.297 -0.547 -3.977 118 HA HIS 16 HA HIS 16 17.472 -2.888 -4.112 119 HB2 HIS 16 2HB HIS 16 19.896 -3.323 -4.754 120 HB3 HIS 16 3HB HIS 16 20.357 -2.868 -3.117 121 HD1 HIS 16 HD1 HIS 16 20.939 -4.969 -1.931 122 HD2 HIS 16 HD2 HIS 16 17.567 -5.450 -4.308 123 HE1 HIS 16 HE1 HIS 16 20.130 -7.302 -1.487 124 HE2 HIS 16 HE2 HIS 16 18.180 -7.617 -3.039 125 H MET 17 H MET 17 17.253 -0.296 -2.659 126 HA MET 17 HA MET 17 16.921 -1.344 0.097 127 HB2 MET 17 2HB MET 17 18.513 0.566 -0.029 128 HB3 MET 17 3HB MET 17 17.303 1.551 -0.834 129 HG2 MET 17 2HG MET 17 15.903 1.476 1.194 130 HG3 MET 17 3HG MET 17 17.118 0.493 2.007 131 HE1 MET 17 1HE MET 17 19.620 1.403 2.524 132 HE2 MET 17 2HE MET 17 20.131 3.063 2.219 133 HE3 MET 17 3HE MET 17 19.843 1.969 0.867 134 H THR 18 H THR 18 14.841 -1.410 0.823 135 HA THR 18 HA THR 18 12.696 -1.211 -1.017 136 HB THR 18 HB THR 18 11.217 -1.650 1.011 137 HG1 THR 18 HG1 THR 18 12.705 -0.612 2.522 138 HG21 THR 18 1HG2 THR 18 12.138 -3.522 -0.300 139 HG22 THR 18 2HG2 THR 18 12.058 -3.922 1.415 140 HG23 THR 18 3HG2 THR 18 13.607 -3.499 0.683 141 H ASP 19 H ASP 19 14.133 1.156 1.001 142 HA ASP 19 HA ASP 19 12.042 2.812 1.754 143 HB2 ASP 19 2HB ASP 19 14.363 3.097 2.571 144 HB3 ASP 19 3HB ASP 19 14.871 3.649 0.979 145 H GLU 20 H GLU 20 13.826 2.718 -1.333 146 HA GLU 20 HA GLU 20 12.748 4.972 -2.606 147 HB2 GLU 20 2HB GLU 20 14.652 3.344 -3.354 148 HB3 GLU 20 3HB GLU 20 13.382 2.370 -4.070 149 HG2 GLU 20 2HG GLU 20 14.027 5.250 -4.800 150 HG3 GLU 20 3HG GLU 20 14.550 3.837 -5.703 151 H LEU 21 H LEU 21 11.651 1.612 -2.624 152 HA LEU 21 HA LEU 21 9.473 1.830 -4.392 153 HB2 LEU 21 2HB LEU 21 9.940 -0.219 -2.179 154 HB3 LEU 21 3HB LEU 21 8.703 -0.359 -3.414 155 HG LEU 21 HG LEU 21 10.568 -0.465 -5.151 156 HD11 LEU 21 1HD1 LEU 21 12.366 -0.828 -2.730 157 HD12 LEU 21 2HD1 LEU 21 12.413 0.515 -3.874 158 HD13 LEU 21 3HD1 LEU 21 12.831 -1.109 -4.415 159 HD21 LEU 21 1HD2 LEU 21 9.359 -2.458 -4.425 160 HD22 LEU 21 2HD2 LEU 21 10.453 -2.659 -3.054 161 HD23 LEU 21 3HD2 LEU 21 11.057 -2.851 -4.704 162 H LEU 22 H LEU 22 9.674 1.765 -0.890 163 HA LEU 22 HA LEU 22 6.888 1.829 -0.378 164 HB2 LEU 22 2HB LEU 22 9.235 2.384 1.484 165 HB3 LEU 22 3HB LEU 22 7.575 2.089 1.988 166 HG LEU 22 HG LEU 22 9.397 0.060 0.598 167 HD11 LEU 22 1HD1 LEU 22 9.358 -1.150 2.750 168 HD12 LEU 22 2HD1 LEU 22 8.403 0.142 3.477 169 HD13 LEU 22 3HD1 LEU 22 10.052 0.461 2.932 170 HD21 LEU 22 1HD2 LEU 22 7.081 -0.308 -0.095 171 HD22 LEU 22 2HD2 LEU 22 6.536 -0.297 1.582 172 HD23 LEU 22 3HD2 LEU 22 7.592 -1.587 1.006 173 H GLU 23 H GLU 23 9.417 4.310 -0.546 174 HA GLU 23 HA GLU 23 8.049 6.491 0.598 175 HB2 GLU 23 2HB GLU 23 10.471 6.502 0.229 176 HB3 GLU 23 3HB GLU 23 10.254 6.436 -1.510 177 HG2 GLU 23 2HG GLU 23 9.150 8.777 0.038 178 HG3 GLU 23 3HG GLU 23 10.869 8.704 -0.312 179 H ARG 24 H ARG 24 8.093 5.226 -2.707 180 HA ARG 24 HA ARG 24 6.543 7.244 -3.962 181 HB2 ARG 24 2HB ARG 24 6.893 4.301 -4.675 182 HB3 ARG 24 3HB ARG 24 6.131 5.488 -5.729 183 HG2 ARG 24 2HG ARG 24 9.019 5.531 -4.797 184 HG3 ARG 24 3HG ARG 24 8.448 5.066 -6.401 185 HD2 ARG 24 2HD ARG 24 7.546 7.384 -6.709 186 HD3 ARG 24 3HD ARG 24 8.234 7.826 -5.141 187 HE ARG 24 HE ARG 24 10.365 6.837 -6.489 188 HH11 ARG 24 1HH1 ARG 24 8.046 9.378 -7.247 189 HH12 ARG 24 2HH1 ARG 24 9.174 10.279 -8.206 190 HH21 ARG 24 1HH2 ARG 24 11.808 8.030 -7.750 191 HH22 ARG 24 2HH2 ARG 24 11.304 9.511 -8.491 192 H LEU 25 H LEU 25 5.660 4.347 -2.126 193 HA LEU 25 HA LEU 25 2.805 4.522 -2.681 194 HB2 LEU 25 2HB LEU 25 4.521 2.815 -0.843 195 HB3 LEU 25 3HB LEU 25 2.788 2.879 -0.588 196 HG LEU 25 HG LEU 25 3.366 0.888 -1.866 197 HD11 LEU 25 1HD1 LEU 25 1.185 1.913 -2.303 198 HD12 LEU 25 2HD1 LEU 25 1.812 1.121 -3.745 199 HD13 LEU 25 3HD1 LEU 25 1.879 2.880 -3.610 200 HD21 LEU 25 1HD2 LEU 25 4.520 2.715 -4.012 201 HD22 LEU 25 2HD2 LEU 25 4.305 0.968 -4.143 202 HD23 LEU 25 3HD2 LEU 25 5.438 1.625 -2.967 203 H ARG 26 H ARG 26 5.084 5.670 -0.350 204 HA ARG 26 HA ARG 26 3.424 6.260 1.851 205 HB2 ARG 26 2HB ARG 26 5.994 6.042 1.772 206 HB3 ARG 26 3HB ARG 26 6.027 7.677 1.135 207 HG2 ARG 26 2HG ARG 26 4.603 8.184 3.353 208 HG3 ARG 26 3HG ARG 26 5.393 6.710 3.911 209 HD2 ARG 26 2HD ARG 26 6.830 8.432 4.618 210 HD3 ARG 26 3HD ARG 26 7.607 7.840 3.140 211 HE ARG 26 HE ARG 26 5.748 9.971 2.659 212 HH11 ARG 26 1HH1 ARG 26 9.114 9.347 3.515 213 HH12 ARG 26 2HH1 ARG 26 9.630 10.917 2.972 214 HH21 ARG 26 1HH2 ARG 26 6.383 11.985 2.106 215 HH22 ARG 26 2HH2 ARG 26 8.071 12.427 2.170 216 H GLN 27 H GLN 27 4.605 8.141 -0.919 217 HA GLN 27 HA GLN 27 3.642 10.686 -0.359 218 HB2 GLN 27 2HB GLN 27 3.633 9.359 -3.113 219 HB3 GLN 27 3HB GLN 27 3.587 11.088 -2.799 220 HG2 GLN 27 2HG GLN 27 5.907 9.196 -2.372 221 HG3 GLN 27 3HG GLN 27 5.791 10.508 -3.533 222 HE21 GLN 27 1HE2 GLN 27 6.462 9.644 -0.254 223 HE22 GLN 27 2HE2 GLN 27 6.990 11.198 0.272 224 H LEU 28 H LEU 28 2.057 8.034 -2.090 225 HA LEU 28 HA LEU 28 -0.397 9.251 -2.681 226 HB2 LEU 28 2HB LEU 28 0.467 7.254 -3.827 227 HB3 LEU 28 3HB LEU 28 0.327 6.316 -2.350 228 HG LEU 28 HG LEU 28 -2.153 6.519 -2.450 229 HD11 LEU 28 1HD1 LEU 28 -2.349 8.675 -3.604 230 HD12 LEU 28 2HD1 LEU 28 -3.280 7.431 -4.432 231 HD13 LEU 28 3HD1 LEU 28 -1.730 7.955 -5.094 232 HD21 LEU 28 1HD2 LEU 28 -1.079 4.561 -3.465 233 HD22 LEU 28 2HD2 LEU 28 -0.920 5.416 -5.002 234 HD23 LEU 28 3HD2 LEU 28 -2.520 5.019 -4.374 235 H PHE 29 H PHE 29 0.614 7.272 0.103 236 HA PHE 29 HA PHE 29 -1.948 7.045 1.318 237 HB2 PHE 29 2HB PHE 29 0.821 6.809 2.559 238 HB3 PHE 29 3HB PHE 29 -0.677 6.386 3.384 239 HD1 PHE 29 HD1 PHE 29 -2.164 5.011 1.154 240 HD2 PHE 29 HD2 PHE 29 1.916 4.705 2.404 241 HE1 PHE 29 HE1 PHE 29 -2.036 2.746 0.213 242 HE2 PHE 29 HE2 PHE 29 2.023 2.438 1.457 243 HZ PHE 29 HZ PHE 29 0.053 1.459 0.359 244 H GLU 30 H GLU 30 0.701 9.369 1.703 245 HA GLU 30 HA GLU 30 -0.378 10.933 3.820 246 HB2 GLU 30 2HB GLU 30 1.616 11.648 1.629 247 HB3 GLU 30 3HB GLU 30 1.241 12.701 2.988 248 HG2 GLU 30 2HG GLU 30 2.181 11.129 4.556 249 HG3 GLU 30 3HG GLU 30 2.398 9.919 3.292 250 H GLU 31 H GLU 31 -0.722 11.022 0.315 251 HA GLU 31 HA GLU 31 -2.030 13.524 0.055 252 HB2 GLU 31 2HB GLU 31 -2.070 11.069 -1.758 253 HB3 GLU 31 3HB GLU 31 -2.799 12.613 -2.194 254 HG2 GLU 31 2HG GLU 31 0.136 12.136 -1.633 255 HG3 GLU 31 3HG GLU 31 -0.594 12.323 -3.221 256 H LEU 32 H LEU 32 -3.309 10.194 0.116 257 HA LEU 32 HA LEU 32 -6.056 10.946 -0.038 258 HB2 LEU 32 2HB LEU 32 -4.799 8.303 0.794 259 HB3 LEU 32 3HB LEU 32 -6.486 8.539 0.361 260 HG LEU 32 HG LEU 32 -4.114 8.867 -1.528 261 HD11 LEU 32 1HD1 LEU 32 -4.962 6.868 -2.676 262 HD12 LEU 32 2HD1 LEU 32 -6.228 6.693 -1.459 263 HD13 LEU 32 3HD1 LEU 32 -4.534 6.514 -1.001 264 HD21 LEU 32 1HD2 LEU 32 -5.893 10.435 -2.124 265 HD22 LEU 32 2HD2 LEU 32 -7.078 9.130 -2.128 266 HD23 LEU 32 3HD2 LEU 32 -5.780 9.149 -3.324 267 H HIS 33 H HIS 33 -3.816 10.471 2.568 268 HA HIS 33 HA HIS 33 -5.409 10.122 4.823 269 HB2 HIS 33 2HB HIS 33 -3.004 9.904 4.986 270 HB3 HIS 33 3HB HIS 33 -2.747 11.548 4.418 271 HD1 HIS 33 HD1 HIS 33 -1.649 12.671 6.310 272 HD2 HIS 33 HD2 HIS 33 -4.899 10.415 7.586 273 HE1 HIS 33 HE1 HIS 33 -1.911 13.168 8.750 274 HE2 HIS 33 HE2 HIS 33 -3.989 11.955 9.445 275 H GLU 34 H GLU 34 -5.017 13.013 2.869 276 HA GLU 34 HA GLU 34 -5.698 15.071 4.585 277 HB2 GLU 34 2HB GLU 34 -6.480 16.334 2.648 278 HB3 GLU 34 3HB GLU 34 -5.068 15.388 2.191 279 HG2 GLU 34 2HG GLU 34 -6.515 13.723 1.097 280 HG3 GLU 34 3HG GLU 34 -7.942 14.629 1.585 281 H ARG 35 H ARG 35 -7.893 12.697 3.062 282 HA ARG 35 HA ARG 35 -10.088 13.686 4.816 283 HB2 ARG 35 2HB ARG 35 -11.734 12.817 3.281 284 HB3 ARG 35 3HB ARG 35 -10.648 13.856 2.384 285 HG2 ARG 35 2HG ARG 35 -10.298 10.846 2.349 286 HG3 ARG 35 3HG ARG 35 -11.464 11.637 1.293 287 HD2 ARG 35 2HD ARG 35 -8.462 12.092 1.330 288 HD3 ARG 35 3HD ARG 35 -9.387 11.260 0.075 289 HE ARG 35 HE ARG 35 -9.545 14.154 0.691 290 HH11 ARG 35 1HH1 ARG 35 -9.870 11.582 -1.667 291 HH12 ARG 35 2HH1 ARG 35 -10.184 12.677 -2.970 292 HH21 ARG 35 1HH2 ARG 35 -9.897 15.560 -1.012 293 HH22 ARG 35 2HH2 ARG 35 -10.201 14.938 -2.606 294 H GLY 36 H GLY 36 -7.946 11.134 4.113 295 HA2 GLY 36 2HA GLY 36 -7.622 9.035 4.947 296 HA3 GLY 36 3HA GLY 36 -8.788 9.429 6.204 297 H THR 37 H THR 37 -8.930 8.990 2.656 298 HA THR 37 HA THR 37 -11.470 7.679 2.658 299 HB THR 37 HB THR 37 -10.565 8.957 0.690 300 HG1 THR 37 HG1 THR 37 -12.246 7.351 0.461 301 HG21 THR 37 1HG2 THR 37 -8.992 7.842 -0.871 302 HG22 THR 37 2HG2 THR 37 -8.757 6.535 0.287 303 HG23 THR 37 3HG2 THR 37 -8.225 8.171 0.683 304 H GLU 38 H GLU 38 -11.837 5.451 1.876 305 HA GLU 38 HA GLU 38 -10.306 3.535 3.334 306 HB2 GLU 38 2HB GLU 38 -11.869 1.852 2.304 307 HB3 GLU 38 3HB GLU 38 -12.672 3.166 3.154 308 HG2 GLU 38 2HG GLU 38 -13.128 4.262 0.953 309 HG3 GLU 38 3HG GLU 38 -12.402 2.874 0.144 310 H ILE 39 H ILE 39 -8.288 3.260 2.679 311 HA ILE 39 HA ILE 39 -7.556 2.785 -0.117 312 HB ILE 39 HB ILE 39 -5.744 2.952 2.334 313 HG12 ILE 39 2HG1 ILE 39 -6.419 5.185 0.351 314 HG13 ILE 39 3HG1 ILE 39 -7.015 5.092 2.003 315 HG21 ILE 39 1HG2 ILE 39 -3.940 3.353 0.686 316 HG22 ILE 39 2HG2 ILE 39 -5.097 3.180 -0.635 317 HG23 ILE 39 3HG2 ILE 39 -4.728 1.800 0.400 318 HD11 ILE 39 1HD1 ILE 39 -4.147 5.448 1.154 319 HD12 ILE 39 2HD1 ILE 39 -4.705 5.296 2.823 320 HD13 ILE 39 3HD1 ILE 39 -5.216 6.668 1.843 321 H VAL 40 H VAL 40 -7.930 0.749 -0.724 322 HA VAL 40 HA VAL 40 -7.290 -1.562 0.974 323 HB VAL 40 HB VAL 40 -8.553 -1.432 -1.818 324 HG11 VAL 40 1HG1 VAL 40 -8.265 -3.828 0.044 325 HG12 VAL 40 2HG1 VAL 40 -7.396 -3.577 -1.471 326 HG13 VAL 40 3HG1 VAL 40 -9.142 -3.815 -1.489 327 HG21 VAL 40 1HG2 VAL 40 -10.030 -0.444 -0.105 328 HG22 VAL 40 2HG2 VAL 40 -9.901 -1.905 0.878 329 HG23 VAL 40 3HG2 VAL 40 -10.695 -1.967 -0.698 330 H VAL 41 H VAL 41 -5.109 -1.836 0.988 331 HA VAL 41 HA VAL 41 -3.491 -1.562 -1.463 332 HB VAL 41 HB VAL 41 -2.600 -2.181 1.410 333 HG11 VAL 41 1HG1 VAL 41 -0.333 -1.528 0.638 334 HG12 VAL 41 2HG1 VAL 41 -0.942 -1.332 -1.007 335 HG13 VAL 41 3HG1 VAL 41 -0.940 -2.926 -0.249 336 HG21 VAL 41 1HG2 VAL 41 -1.931 0.195 1.556 337 HG22 VAL 41 2HG2 VAL 41 -3.668 0.030 1.295 338 HG23 VAL 41 3HG2 VAL 41 -2.617 0.493 -0.045 339 H GLU 42 H GLU 42 -3.362 -3.355 -2.698 340 HA GLU 42 HA GLU 42 -3.760 -6.017 -1.461 341 HB2 GLU 42 2HB GLU 42 -5.665 -5.227 -2.832 342 HB3 GLU 42 3HB GLU 42 -4.608 -5.064 -4.232 343 HG2 GLU 42 2HG GLU 42 -4.246 -7.450 -4.310 344 HG3 GLU 42 3HG GLU 42 -5.107 -7.693 -2.791 345 H VAL 43 H VAL 43 -1.906 -7.004 -1.396 346 HA VAL 43 HA VAL 43 0.314 -6.431 -3.200 347 HB VAL 43 HB VAL 43 0.186 -8.108 -0.636 348 HG11 VAL 43 1HG1 VAL 43 2.645 -7.879 -0.600 349 HG12 VAL 43 2HG1 VAL 43 2.598 -7.054 -2.158 350 HG13 VAL 43 3HG1 VAL 43 2.087 -8.740 -2.033 351 HG21 VAL 43 1HG2 VAL 43 1.091 -5.212 -0.975 352 HG22 VAL 43 2HG2 VAL 43 1.185 -6.154 0.515 353 HG23 VAL 43 3HG2 VAL 43 -0.387 -5.752 -0.172 354 H HIS 44 H HIS 44 0.158 -7.595 -5.046 355 HA HIS 44 HA HIS 44 -0.663 -10.410 -5.112 356 HB2 HIS 44 2HB HIS 44 0.110 -8.546 -7.407 357 HB3 HIS 44 3HB HIS 44 -0.517 -10.179 -7.593 358 HD1 HIS 44 HD1 HIS 44 -1.844 -7.548 -8.771 359 HD2 HIS 44 HD2 HIS 44 -3.042 -9.567 -5.335 360 HE1 HIS 44 HE1 HIS 44 -4.261 -6.960 -8.442 361 HE2 HIS 44 HE2 HIS 44 -4.991 -8.318 -6.473 362 H ILE 45 H ILE 45 1.051 -11.623 -4.287 363 HA ILE 45 HA ILE 45 3.559 -11.563 -5.851 364 HB ILE 45 HB ILE 45 3.424 -12.060 -2.839 365 HG12 ILE 45 2HG1 ILE 45 4.481 -9.694 -4.458 366 HG13 ILE 45 3HG1 ILE 45 3.222 -9.675 -3.234 367 HG21 ILE 45 1HG2 ILE 45 5.885 -12.233 -2.924 368 HG22 ILE 45 2HG2 ILE 45 5.854 -12.023 -4.675 369 HG23 ILE 45 3HG2 ILE 45 5.138 -13.458 -3.948 370 HD11 ILE 45 1HD1 ILE 45 4.947 -10.215 -1.534 371 HD12 ILE 45 2HD1 ILE 45 5.189 -8.674 -2.352 372 HD13 ILE 45 3HD1 ILE 45 6.173 -10.067 -2.797 373 H ASN 46 H ASN 46 4.128 -13.437 -6.714 374 HA ASN 46 HA ASN 46 4.089 -15.562 -7.486 375 HB2 ASN 46 2HB ASN 46 3.173 -16.350 -4.684 376 HB3 ASN 46 3HB ASN 46 3.795 -17.454 -5.904 377 HD21 ASN 46 1HD2 ASN 46 4.606 -15.275 -3.408 378 HD22 ASN 46 2HD2 ASN 46 6.323 -15.399 -3.549 379 H GLY 47 H GLY 47 1.625 -13.868 -7.567 380 HA2 GLY 47 2HA GLY 47 -0.376 -14.190 -8.741 381 HA3 GLY 47 3HA GLY 47 -0.311 -15.911 -8.392 382 H GLU 48 H GLU 48 0.332 -14.916 -5.485 383 HA GLU 48 HA GLU 48 -2.350 -15.279 -4.495 384 HB2 GLU 48 2HB GLU 48 0.242 -14.752 -2.970 385 HB3 GLU 48 3HB GLU 48 -1.258 -15.380 -2.291 386 HG2 GLU 48 2HG GLU 48 -1.003 -17.469 -3.514 387 HG3 GLU 48 3HG GLU 48 0.384 -16.830 -4.392 388 H ARG 49 H ARG 49 -3.526 -13.773 -3.254 389 HA ARG 49 HA ARG 49 -2.728 -10.932 -3.528 390 HB2 ARG 49 2HB ARG 49 -5.116 -10.400 -3.531 391 HB3 ARG 49 3HB ARG 49 -4.780 -11.605 -4.767 392 HG2 ARG 49 2HG ARG 49 -5.573 -13.354 -3.040 393 HG3 ARG 49 3HG ARG 49 -6.208 -11.989 -2.120 394 HD2 ARG 49 2HD ARG 49 -7.999 -12.898 -3.454 395 HD3 ARG 49 3HD ARG 49 -7.548 -11.337 -4.155 396 HE ARG 49 HE ARG 49 -6.225 -13.644 -5.309 397 HH11 ARG 49 1HH1 ARG 49 -8.985 -11.491 -5.623 398 HH12 ARG 49 2HH1 ARG 49 -9.234 -11.876 -7.295 399 HH21 ARG 49 1HH2 ARG 49 -6.534 -14.117 -7.487 400 HH22 ARG 49 2HH2 ARG 49 -7.838 -13.373 -8.359 401 H ASP 50 H ASP 50 -2.508 -9.721 -1.721 402 HA ASP 50 HA ASP 50 -3.615 -10.676 0.864 403 HB2 ASP 50 2HB ASP 50 -1.110 -10.740 0.881 404 HB3 ASP 50 3HB ASP 50 -1.073 -9.047 0.419 405 H GLU 51 H GLU 51 -5.257 -9.401 1.401 406 HA GLU 51 HA GLU 51 -5.535 -6.696 0.258 407 HB2 GLU 51 2HB GLU 51 -7.372 -8.358 -0.080 408 HB3 GLU 51 3HB GLU 51 -7.573 -8.481 1.667 409 HG2 GLU 51 2HG GLU 51 -8.087 -5.991 1.677 410 HG3 GLU 51 3HG GLU 51 -8.103 -6.064 -0.085 411 H ILE 52 H ILE 52 -5.223 -4.978 1.531 412 HA ILE 52 HA ILE 52 -5.312 -5.226 4.490 413 HB ILE 52 HB ILE 52 -3.593 -3.145 3.050 414 HG12 ILE 52 2HG1 ILE 52 -2.457 -5.836 3.966 415 HG13 ILE 52 3HG1 ILE 52 -2.942 -5.540 2.302 416 HG21 ILE 52 1HG2 ILE 52 -2.351 -3.150 5.207 417 HG22 ILE 52 2HG2 ILE 52 -3.422 -4.404 5.832 418 HG23 ILE 52 3HG2 ILE 52 -4.063 -2.803 5.452 419 HD11 ILE 52 1HD1 ILE 52 -0.544 -5.282 2.645 420 HD12 ILE 52 2HD1 ILE 52 -0.846 -3.975 3.788 421 HD13 ILE 52 3HD1 ILE 52 -1.298 -3.787 2.092 422 H ARG 53 H ARG 53 -7.130 -4.160 5.155 423 HA ARG 53 HA ARG 53 -8.189 -1.905 3.557 424 HB2 ARG 53 2HB ARG 53 -9.510 -3.683 5.646 425 HB3 ARG 53 3HB ARG 53 -10.304 -2.315 4.865 426 HG2 ARG 53 2HG ARG 53 -10.210 -3.392 2.702 427 HG3 ARG 53 3HG ARG 53 -9.182 -4.683 3.330 428 HD2 ARG 53 2HD ARG 53 -12.039 -4.157 4.215 429 HD3 ARG 53 3HD ARG 53 -11.547 -5.382 3.042 430 HE ARG 53 HE ARG 53 -10.201 -6.386 4.877 431 HH11 ARG 53 1HH1 ARG 53 -12.994 -4.442 5.733 432 HH12 ARG 53 2HH1 ARG 53 -13.220 -5.235 7.259 433 HH21 ARG 53 1HH2 ARG 53 -10.497 -7.391 6.881 434 HH22 ARG 53 2HH2 ARG 53 -11.809 -6.901 7.905 435 H VAL 54 H VAL 54 -7.289 -0.095 4.233 436 HA VAL 54 HA VAL 54 -7.555 0.749 7.065 437 HB VAL 54 HB VAL 54 -5.583 2.263 6.711 438 HG11 VAL 54 1HG1 VAL 54 -5.234 0.118 7.860 439 HG12 VAL 54 2HG1 VAL 54 -3.810 0.567 6.924 440 HG13 VAL 54 3HG1 VAL 54 -4.906 -0.679 6.317 441 HG21 VAL 54 1HG2 VAL 54 -5.660 2.435 4.244 442 HG22 VAL 54 2HG2 VAL 54 -5.174 0.747 4.093 443 HG23 VAL 54 3HG2 VAL 54 -4.058 1.928 4.780 444 H ARG 55 H ARG 55 -8.173 2.990 7.304 445 HA ARG 55 HA ARG 55 -9.113 4.308 4.806 446 HB2 ARG 55 2HB ARG 55 -10.400 4.602 7.556 447 HB3 ARG 55 3HB ARG 55 -10.930 5.345 6.052 448 HG2 ARG 55 2HG ARG 55 -11.428 3.059 5.153 449 HG3 ARG 55 3HG ARG 55 -11.010 2.403 6.738 450 HD2 ARG 55 2HD ARG 55 -13.429 2.639 6.552 451 HD3 ARG 55 3HD ARG 55 -12.813 3.757 7.774 452 HE ARG 55 HE ARG 55 -13.673 4.489 5.035 453 HH11 ARG 55 1HH1 ARG 55 -13.137 5.464 8.381 454 HH12 ARG 55 2HH1 ARG 55 -13.816 7.042 8.133 455 HH21 ARG 55 1HH2 ARG 55 -14.499 6.566 4.740 456 HH22 ARG 55 2HH2 ARG 55 -14.582 7.664 6.081 457 H ASN 56 H ASN 56 -8.655 5.281 8.222 458 HA ASN 56 HA ASN 56 -7.806 7.925 7.223 459 HB2 ASN 56 2HB ASN 56 -9.920 7.386 8.771 460 HB3 ASN 56 3HB ASN 56 -8.731 7.385 10.069 461 HD21 ASN 56 1HD2 ASN 56 -10.361 9.301 7.647 462 HD22 ASN 56 2HD2 ASN 56 -9.915 10.852 8.272 463 H ILE 57 H ILE 57 -5.917 5.919 7.184 464 HA ILE 57 HA ILE 57 -4.246 5.801 9.439 465 HB ILE 57 HB ILE 57 -2.397 5.200 7.580 466 HG12 ILE 57 2HG1 ILE 57 -3.559 3.970 5.633 467 HG13 ILE 57 3HG1 ILE 57 -5.009 4.887 6.020 468 HG21 ILE 57 1HG2 ILE 57 -3.109 2.851 7.703 469 HG22 ILE 57 2HG2 ILE 57 -4.686 3.354 8.310 470 HG23 ILE 57 3HG2 ILE 57 -3.236 3.661 9.265 471 HD11 ILE 57 1HD1 ILE 57 -2.368 6.039 5.154 472 HD12 ILE 57 2HD1 ILE 57 -3.845 6.951 5.471 473 HD13 ILE 57 3HD1 ILE 57 -3.785 5.802 4.139 474 H SER 58 H SER 58 -3.183 7.346 10.376 475 HA SER 58 HA SER 58 -2.563 9.870 9.145 476 HB2 SER 58 2HB SER 58 -1.920 8.769 11.896 477 HB3 SER 58 3HB SER 58 -1.738 10.456 11.398 478 HG SER 58 HG SER 58 -3.969 9.093 12.156 479 H LYS 59 H LYS 59 -0.121 10.639 10.187 480 HA LYS 59 HA LYS 59 1.559 9.968 8.082 481 HB2 LYS 59 2HB LYS 59 3.342 11.193 9.341 482 HB3 LYS 59 3HB LYS 59 1.809 12.053 9.279 483 HG2 LYS 59 2HG LYS 59 1.294 11.280 11.586 484 HG3 LYS 59 3HG LYS 59 2.868 10.482 11.646 485 HD2 LYS 59 2HD LYS 59 3.958 12.723 11.300 486 HD3 LYS 59 3HD LYS 59 2.359 13.472 11.390 487 HE2 LYS 59 2HE LYS 59 3.704 11.865 13.594 488 HE3 LYS 59 3HE LYS 59 3.523 13.619 13.550 489 HZ1 LYS 59 1HZ LYS 59 1.078 13.236 13.524 490 HZ2 LYS 59 2HZ LYS 59 1.842 12.746 14.947 491 HZ3 LYS 59 3HZ LYS 59 1.373 11.594 13.802 492 H GLU 60 H GLU 60 1.653 8.655 11.374 493 HA GLU 60 HA GLU 60 3.909 6.901 10.796 494 HB2 GLU 60 2HB GLU 60 3.863 6.300 13.164 495 HB3 GLU 60 3HB GLU 60 3.838 8.040 12.987 496 HG2 GLU 60 2HG GLU 60 1.391 6.354 13.594 497 HG3 GLU 60 3HG GLU 60 2.369 7.150 14.807 498 H GLU 61 H GLU 61 0.444 6.733 11.168 499 HA GLU 61 HA GLU 61 0.186 3.893 11.317 500 HB2 GLU 61 2HB GLU 61 -1.848 5.994 10.476 501 HB3 GLU 61 3HB GLU 61 -2.220 4.317 10.860 502 HG2 GLU 61 2HG GLU 61 -1.161 6.425 12.761 503 HG3 GLU 61 3HG GLU 61 -2.783 5.733 12.742 504 H LEU 62 H LEU 62 0.471 6.110 8.598 505 HA LEU 62 HA LEU 62 -0.511 4.236 6.645 506 HB2 LEU 62 2HB LEU 62 0.070 5.866 4.965 507 HB3 LEU 62 3HB LEU 62 -0.766 6.637 6.290 508 HG LEU 62 HG LEU 62 1.661 7.339 7.079 509 HD11 LEU 62 1HD1 LEU 62 2.956 6.019 5.468 510 HD12 LEU 62 2HD1 LEU 62 3.265 7.741 5.260 511 HD13 LEU 62 3HD1 LEU 62 2.210 6.891 4.126 512 HD21 LEU 62 1HD2 LEU 62 -0.092 8.919 6.383 513 HD22 LEU 62 2HD2 LEU 62 0.365 8.694 4.692 514 HD23 LEU 62 3HD2 LEU 62 1.501 9.428 5.827 515 H LYS 63 H LYS 63 2.521 5.022 8.110 516 HA LYS 63 HA LYS 63 4.290 3.657 6.407 517 HB2 LYS 63 2HB LYS 63 4.375 4.365 9.343 518 HB3 LYS 63 3HB LYS 63 5.576 3.258 8.700 519 HG2 LYS 63 2HG LYS 63 5.765 5.304 6.871 520 HG3 LYS 63 3HG LYS 63 5.311 6.202 8.324 521 HD2 LYS 63 2HD LYS 63 7.766 6.057 8.114 522 HD3 LYS 63 3HD LYS 63 7.210 5.194 9.551 523 HE2 LYS 63 2HE LYS 63 7.388 3.042 8.322 524 HE3 LYS 63 3HE LYS 63 7.948 3.902 6.889 525 HZ1 LYS 63 1HZ LYS 63 9.352 3.783 9.504 526 HZ2 LYS 63 2HZ LYS 63 9.887 4.616 8.136 527 HZ3 LYS 63 3HZ LYS 63 9.773 2.931 8.103 528 H LYS 64 H LYS 64 1.891 2.458 8.683 529 HA LYS 64 HA LYS 64 2.893 -0.137 9.128 530 HB2 LYS 64 2HB LYS 64 -0.008 0.797 8.951 531 HB3 LYS 64 3HB LYS 64 0.473 -0.805 9.505 532 HG2 LYS 64 2HG LYS 64 1.159 1.838 10.826 533 HG3 LYS 64 3HG LYS 64 -0.006 0.652 11.407 534 HD2 LYS 64 2HD LYS 64 3.003 0.214 11.177 535 HD3 LYS 64 3HD LYS 64 2.122 0.550 12.670 536 HE2 LYS 64 2HE LYS 64 0.925 -1.554 12.511 537 HE3 LYS 64 3HE LYS 64 1.615 -1.878 10.917 538 HZ1 LYS 64 1HZ LYS 64 3.803 -1.961 11.941 539 HZ2 LYS 64 2HZ LYS 64 2.763 -3.110 12.606 540 HZ3 LYS 64 3HZ LYS 64 3.121 -1.702 13.464 541 H LEU 65 H LEU 65 1.209 1.301 6.404 542 HA LEU 65 HA LEU 65 0.575 -1.111 4.989 543 HB2 LEU 65 2HB LEU 65 0.768 1.793 4.099 544 HB3 LEU 65 3HB LEU 65 0.318 0.503 3.004 545 HG LEU 65 HG LEU 65 -1.712 1.565 3.693 546 HD11 LEU 65 1HD1 LEU 65 -2.973 -0.260 4.736 547 HD12 LEU 65 2HD1 LEU 65 -1.474 -1.039 5.240 548 HD13 LEU 65 3HD1 LEU 65 -1.853 -0.876 3.523 549 HD21 LEU 65 1HD2 LEU 65 -2.425 1.875 6.016 550 HD22 LEU 65 2HD2 LEU 65 -0.906 2.710 5.727 551 HD23 LEU 65 3HD2 LEU 65 -0.913 1.180 6.606 552 H LEU 66 H LEU 66 3.275 1.139 4.986 553 HA LEU 66 HA LEU 66 4.755 0.072 2.803 554 HB2 LEU 66 2HB LEU 66 5.896 1.481 5.251 555 HB3 LEU 66 3HB LEU 66 6.634 1.357 3.659 556 HG LEU 66 HG LEU 66 4.182 2.998 4.397 557 HD11 LEU 66 1HD1 LEU 66 5.579 4.926 3.827 558 HD12 LEU 66 2HD1 LEU 66 6.946 3.865 3.500 559 HD13 LEU 66 3HD1 LEU 66 6.293 3.988 5.136 560 HD21 LEU 66 1HD2 LEU 66 5.439 2.632 1.654 561 HD22 LEU 66 2HD2 LEU 66 4.183 3.805 2.054 562 HD23 LEU 66 3HD2 LEU 66 3.839 2.081 2.157 563 H GLU 67 H GLU 67 4.705 -0.552 6.267 564 HA GLU 67 HA GLU 67 6.801 -2.481 6.320 565 HB2 GLU 67 2HB GLU 67 4.601 -2.075 8.381 566 HB3 GLU 67 3HB GLU 67 6.131 -2.905 8.634 567 HG2 GLU 67 2HG GLU 67 5.695 0.059 8.210 568 HG3 GLU 67 3HG GLU 67 6.243 -0.735 9.673 569 H ARG 68 H ARG 68 3.391 -2.610 5.634 570 HA ARG 68 HA ARG 68 3.139 -5.481 5.896 571 HB2 ARG 68 2HB ARG 68 1.249 -3.351 4.844 572 HB3 ARG 68 3HB ARG 68 0.854 -5.064 4.779 573 HG2 ARG 68 2HG ARG 68 1.276 -3.386 7.277 574 HG3 ARG 68 3HG ARG 68 -0.236 -4.078 6.696 575 HD2 ARG 68 2HD ARG 68 0.653 -6.342 7.083 576 HD3 ARG 68 3HD ARG 68 2.175 -5.652 7.645 577 HE ARG 68 HE ARG 68 -0.276 -4.919 9.066 578 HH11 ARG 68 1HH1 ARG 68 2.685 -6.814 9.057 579 HH12 ARG 68 2HH1 ARG 68 2.621 -7.136 10.762 580 HH21 ARG 68 1HH2 ARG 68 -0.366 -5.377 11.291 581 HH22 ARG 68 2HH2 ARG 68 0.893 -6.321 12.026 582 H ILE 69 H ILE 69 4.088 -3.315 3.330 583 HA ILE 69 HA ILE 69 3.825 -5.341 1.234 584 HB ILE 69 HB ILE 69 5.183 -2.594 1.183 585 HG12 ILE 69 2HG1 ILE 69 2.478 -3.417 0.001 586 HG13 ILE 69 3HG1 ILE 69 2.670 -2.554 1.519 587 HG21 ILE 69 1HG2 ILE 69 5.190 -2.815 -1.292 588 HG22 ILE 69 2HG2 ILE 69 4.570 -4.459 -1.155 589 HG23 ILE 69 3HG2 ILE 69 6.174 -4.067 -0.531 590 HD11 ILE 69 1HD1 ILE 69 3.679 -0.669 0.299 591 HD12 ILE 69 2HD1 ILE 69 2.041 -1.039 -0.240 592 HD13 ILE 69 3HD1 ILE 69 3.420 -1.537 -1.217 593 H ARG 70 H ARG 70 6.452 -3.750 3.078 594 HA ARG 70 HA ARG 70 8.627 -4.922 1.719 595 HB2 ARG 70 2HB ARG 70 10.055 -4.017 3.418 596 HB3 ARG 70 3HB ARG 70 8.741 -2.866 3.211 597 HG2 ARG 70 2HG ARG 70 7.639 -3.860 5.237 598 HG3 ARG 70 3HG ARG 70 9.072 -4.857 5.473 599 HD2 ARG 70 2HD ARG 70 9.048 -1.823 5.453 600 HD3 ARG 70 3HD ARG 70 9.033 -2.827 6.903 601 HE ARG 70 HE ARG 70 11.253 -3.586 5.389 602 HH11 ARG 70 1HH1 ARG 70 10.146 -0.740 7.164 603 HH12 ARG 70 2HH1 ARG 70 11.759 -0.202 7.526 604 HH21 ARG 70 1HH2 ARG 70 13.341 -2.892 5.924 605 HH22 ARG 70 2HH2 ARG 70 13.574 -1.424 6.820 606 H GLU 71 H GLU 71 6.712 -6.017 4.498 607 HA GLU 71 HA GLU 71 8.399 -8.094 5.386 608 HB2 GLU 71 2HB GLU 71 6.441 -8.988 6.557 609 HB3 GLU 71 3HB GLU 71 6.527 -7.243 6.748 610 HG2 GLU 71 2HG GLU 71 4.786 -6.958 5.030 611 HG3 GLU 71 3HG GLU 71 4.711 -8.705 4.814 612 H LYS 72 H LYS 72 6.035 -7.871 2.802 613 HA LYS 72 HA LYS 72 5.676 -10.669 2.353 614 HB2 LYS 72 2HB LYS 72 5.132 -8.338 0.460 615 HB3 LYS 72 3HB LYS 72 4.546 -9.985 0.261 616 HG2 LYS 72 2HG LYS 72 3.718 -7.964 2.345 617 HG3 LYS 72 3HG LYS 72 2.733 -8.667 1.063 618 HD2 LYS 72 2HD LYS 72 3.148 -10.937 2.246 619 HD3 LYS 72 3HD LYS 72 3.729 -9.967 3.611 620 HE2 LYS 72 2HE LYS 72 0.964 -9.824 2.366 621 HE3 LYS 72 3HE LYS 72 1.369 -10.607 3.890 622 HZ1 LYS 72 1HZ LYS 72 1.704 -7.715 3.345 623 HZ2 LYS 72 2HZ LYS 72 1.924 -8.494 4.827 624 HZ3 LYS 72 3HZ LYS 72 0.382 -8.396 4.142 625 H ILE 73 H ILE 73 7.557 -8.093 0.708 626 HA ILE 73 HA ILE 73 8.709 -9.917 -1.195 627 HB ILE 73 HB ILE 73 10.197 -8.042 -1.893 628 HG12 ILE 73 2HG1 ILE 73 9.473 -5.694 -0.829 629 HG13 ILE 73 3HG1 ILE 73 9.065 -6.670 0.573 630 HG21 ILE 73 1HG2 ILE 73 8.389 -6.594 -2.747 631 HG22 ILE 73 2HG2 ILE 73 7.269 -7.300 -1.582 632 HG23 ILE 73 3HG2 ILE 73 7.962 -8.304 -2.858 633 HD11 ILE 73 1HD1 ILE 73 11.399 -7.434 0.687 634 HD12 ILE 73 2HD1 ILE 73 11.246 -5.682 0.798 635 HD13 ILE 73 3HD1 ILE 73 11.780 -6.423 -0.709 636 H GLU 74 H GLU 74 9.597 -9.092 2.064 637 HA GLU 74 HA GLU 74 12.307 -10.137 1.884 638 HB2 GLU 74 2HB GLU 74 10.620 -9.211 4.246 639 HB3 GLU 74 3HB GLU 74 12.244 -9.867 4.433 640 HG2 GLU 74 2HG GLU 74 13.167 -8.053 3.049 641 HG3 GLU 74 3HG GLU 74 11.548 -7.413 2.788 642 H ARG 75 H ARG 75 9.177 -11.377 3.147 643 HA ARG 75 HA ARG 75 10.308 -13.795 4.221 644 HB2 ARG 75 2HB ARG 75 7.959 -14.586 4.526 645 HB3 ARG 75 3HB ARG 75 8.226 -12.986 5.201 646 HG2 ARG 75 2HG ARG 75 7.048 -11.940 3.358 647 HG3 ARG 75 3HG ARG 75 6.919 -13.470 2.506 648 HD2 ARG 75 2HD ARG 75 5.652 -13.124 5.236 649 HD3 ARG 75 3HD ARG 75 4.834 -12.551 3.779 650 HE ARG 75 HE ARG 75 5.703 -15.251 3.488 651 HH11 ARG 75 1HH1 ARG 75 3.115 -13.377 4.973 652 HH12 ARG 75 2HH1 ARG 75 1.986 -14.689 4.921 653 HH21 ARG 75 1HH2 ARG 75 4.204 -16.913 3.365 654 HH22 ARG 75 2HH2 ARG 75 2.606 -16.702 4.006 655 H GLU 76 H GLU 76 8.605 -12.981 1.224 656 HA GLU 76 HA GLU 76 8.629 -15.690 0.198 657 HB2 GLU 76 2HB GLU 76 7.861 -13.080 -1.183 658 HB3 GLU 76 3HB GLU 76 7.544 -14.698 -1.800 659 HG2 GLU 76 2HG GLU 76 6.352 -13.456 0.697 660 HG3 GLU 76 3HG GLU 76 5.523 -13.720 -0.833 661 H GLY 77 H GLY 77 10.394 -12.671 -0.344 662 HA2 GLY 77 2HA GLY 77 12.320 -12.148 -1.472 663 HA3 GLY 77 3HA GLY 77 12.714 -13.862 -1.471 664 H SER 78 H SER 78 9.705 -12.962 -2.842 665 HA SER 78 HA SER 78 10.507 -14.012 -5.421 666 HB2 SER 78 2HB SER 78 7.756 -13.189 -4.402 667 HB3 SER 78 3HB SER 78 8.092 -14.139 -5.853 668 HG SER 78 HG SER 78 8.405 -15.853 -4.658 669 H SER 79 H SER 79 10.691 -12.856 -7.231 670 HA SER 79 HA SER 79 10.663 -9.964 -7.214 671 HB2 SER 79 2HB SER 79 11.118 -11.921 -9.519 672 HB3 SER 79 3HB SER 79 11.543 -10.206 -9.513 673 HG SER 79 HG SER 79 12.658 -11.237 -7.369 674 H GLU 80 H GLU 80 8.290 -12.265 -7.604 675 HA GLU 80 HA GLU 80 6.700 -11.135 -9.743 676 HB2 GLU 80 2HB GLU 80 6.195 -13.388 -7.730 677 HB3 GLU 80 3HB GLU 80 5.063 -12.958 -9.002 678 HG2 GLU 80 2HG GLU 80 6.299 -14.920 -9.670 679 HG3 GLU 80 3HG GLU 80 6.765 -13.570 -10.702 680 H VAL 81 H VAL 81 6.952 -9.013 -8.175 681 HA VAL 81 HA VAL 81 4.763 -8.961 -6.181 682 HB VAL 81 HB VAL 81 6.859 -8.522 -5.096 683 HG11 VAL 81 1HG1 VAL 81 8.237 -7.887 -7.036 684 HG12 VAL 81 2HG1 VAL 81 8.432 -6.730 -5.719 685 HG13 VAL 81 3HG1 VAL 81 7.431 -6.319 -7.116 686 HG21 VAL 81 1HG2 VAL 81 6.478 -6.266 -4.127 687 HG22 VAL 81 2HG2 VAL 81 4.961 -7.146 -4.311 688 HG23 VAL 81 3HG2 VAL 81 5.384 -5.873 -5.456 689 H GLU 82 H GLU 82 3.064 -7.706 -6.514 690 HA GLU 82 HA GLU 82 3.165 -5.368 -8.292 691 HB2 GLU 82 2HB GLU 82 2.434 -7.415 -9.600 692 HB3 GLU 82 3HB GLU 82 1.053 -7.550 -8.524 693 HG2 GLU 82 2HG GLU 82 0.347 -5.243 -9.267 694 HG3 GLU 82 3HG GLU 82 1.643 -5.297 -10.465 695 H VAL 83 H VAL 83 2.507 -3.765 -6.925 696 HA VAL 83 HA VAL 83 0.584 -4.352 -4.751 697 HB VAL 83 HB VAL 83 2.326 -1.859 -5.194 698 HG11 VAL 83 1HG1 VAL 83 1.738 -1.271 -2.855 699 HG12 VAL 83 2HG1 VAL 83 0.669 -2.673 -2.763 700 HG13 VAL 83 3HG1 VAL 83 0.299 -1.354 -3.875 701 HG21 VAL 83 1HG2 VAL 83 3.714 -3.849 -4.741 702 HG22 VAL 83 2HG2 VAL 83 2.772 -4.201 -3.291 703 HG23 VAL 83 3HG2 VAL 83 3.756 -2.738 -3.370 704 H ASN 84 H ASN 84 -1.467 -4.090 -5.435 705 HA ASN 84 HA ASN 84 -2.239 -1.868 -7.226 706 HB2 ASN 84 2HB ASN 84 -3.642 -4.463 -6.438 707 HB3 ASN 84 3HB ASN 84 -4.474 -3.159 -7.277 708 HD21 ASN 84 1HD2 ASN 84 -1.126 -4.258 -7.872 709 HD22 ASN 84 2HD2 ASN 84 -1.441 -4.798 -9.479 710 H VAL 85 H VAL 85 -2.626 -0.101 -6.038 711 HA VAL 85 HA VAL 85 -4.009 -0.235 -3.452 712 HB VAL 85 HB VAL 85 -2.870 2.190 -4.949 713 HG11 VAL 85 1HG1 VAL 85 -3.054 3.359 -2.763 714 HG12 VAL 85 2HG1 VAL 85 -3.832 1.936 -2.066 715 HG13 VAL 85 3HG1 VAL 85 -4.632 2.836 -3.357 716 HG21 VAL 85 1HG2 VAL 85 -1.627 0.572 -2.681 717 HG22 VAL 85 2HG2 VAL 85 -0.961 2.055 -3.372 718 HG23 VAL 85 3HG2 VAL 85 -1.082 0.601 -4.361 719 H HIS 86 H HIS 86 -6.129 -0.546 -3.765 720 HA HIS 86 HA HIS 86 -7.662 0.910 -5.823 721 HB2 HIS 86 2HB HIS 86 -8.643 -1.266 -3.906 722 HB3 HIS 86 3HB HIS 86 -9.442 -0.687 -5.364 723 HD1 HIS 86 HD1 HIS 86 -8.801 -1.847 -7.566 724 HD2 HIS 86 HD2 HIS 86 -6.426 -3.041 -4.367 725 HE1 HIS 86 HE1 HIS 86 -7.567 -3.885 -8.356 726 HE2 HIS 86 HE2 HIS 86 -6.352 -4.725 -6.330 727 H SER 87 H SER 87 -8.417 2.855 -5.087 728 HA SER 87 HA SER 87 -9.753 3.095 -2.522 729 HB2 SER 87 2HB SER 87 -8.287 5.041 -1.795 730 HB3 SER 87 3HB SER 87 -7.475 3.479 -1.756 731 HG SER 87 HG SER 87 -6.746 4.111 -3.972 732 H GLY 88 H GLY 88 -11.211 4.789 -2.500 733 HA2 GLY 88 2HA GLY 88 -12.578 6.452 -3.289 734 HA3 GLY 88 3HA GLY 88 -11.256 6.979 -4.321 735 H GLY 89 H GLY 89 -11.233 6.372 -6.455 736 HA2 GLY 89 2HA GLY 89 -13.156 4.391 -7.490 737 HA3 GLY 89 3HA GLY 89 -13.169 6.025 -8.151 738 H GLN 90 H GLN 90 -10.062 5.013 -7.176 739 HA GLN 90 HA GLN 90 -9.259 4.370 -9.962 740 HB2 GLN 90 2HB GLN 90 -7.747 6.014 -7.885 741 HB3 GLN 90 3HB GLN 90 -7.075 5.503 -9.430 742 HG2 GLN 90 2HG GLN 90 -8.657 6.892 -10.641 743 HG3 GLN 90 3HG GLN 90 -9.495 7.301 -9.142 744 HE21 GLN 90 1HE2 GLN 90 -8.547 8.787 -7.722 745 HE22 GLN 90 2HE2 GLN 90 -7.214 9.783 -8.168 746 H THR 91 H THR 91 -7.380 3.060 -10.189 747 HA THR 91 HA THR 91 -6.401 1.612 -7.804 748 HB THR 91 HB THR 91 -7.092 0.380 -10.515 749 HG1 THR 91 HG1 THR 91 -8.798 0.711 -8.902 750 HG21 THR 91 1HG2 THR 91 -4.979 -0.600 -9.650 751 HG22 THR 91 2HG2 THR 91 -6.297 -1.769 -9.570 752 HG23 THR 91 3HG2 THR 91 -5.765 -0.942 -8.105 753 H TRP 92 H TRP 92 -4.353 2.286 -7.606 754 HA TRP 92 HA TRP 92 -2.627 2.811 -9.907 755 HB2 TRP 92 2HB TRP 92 -2.123 2.898 -6.887 756 HB3 TRP 92 3HB TRP 92 -0.912 3.303 -8.103 757 HD1 TRP 92 HD1 TRP 92 -1.014 5.725 -9.159 758 HE1 TRP 92 HE1 TRP 92 -2.445 7.811 -8.709 759 HE3 TRP 92 HE3 TRP 92 -4.623 3.646 -6.176 760 HZ2 TRP 92 HZ2 TRP 92 -4.763 8.507 -7.282 761 HZ3 TRP 92 HZ3 TRP 92 -6.408 5.096 -5.311 762 HH2 TRP 92 HH2 TRP 92 -6.482 7.476 -5.846 763 H THR 93 H THR 93 -1.749 1.072 -10.913 764 HA THR 93 HA THR 93 -1.236 -1.420 -9.399 765 HB THR 93 HB THR 93 -1.449 -1.003 -12.426 766 HG1 THR 93 HG1 THR 93 -3.454 -0.791 -11.384 767 HG21 THR 93 1HG2 THR 93 -1.281 -3.596 -10.830 768 HG22 THR 93 2HG2 THR 93 0.002 -2.941 -11.846 769 HG23 THR 93 3HG2 THR 93 -1.514 -3.466 -12.577 770 H PHE 94 H PHE 94 0.742 -1.186 -8.547 771 HA PHE 94 HA PHE 94 3.059 -0.296 -10.088 772 HB2 PHE 94 2HB PHE 94 2.768 -1.312 -7.207 773 HB3 PHE 94 3HB PHE 94 4.288 -0.777 -7.920 774 HD1 PHE 94 HD1 PHE 94 0.870 0.384 -6.927 775 HD2 PHE 94 HD2 PHE 94 4.846 1.566 -7.994 776 HE1 PHE 94 HE1 PHE 94 0.374 2.695 -6.245 777 HE2 PHE 94 HE2 PHE 94 4.333 3.877 -7.312 778 HZ PHE 94 HZ PHE 94 2.099 4.442 -6.436 779 H ASN 95 H ASN 95 3.804 -1.784 -11.512 780 HA ASN 95 HA ASN 95 3.385 -4.674 -11.077 781 HB2 ASN 95 2HB ASN 95 2.521 -3.713 -13.179 782 HB3 ASN 95 3HB ASN 95 4.092 -3.028 -13.562 783 HD21 ASN 95 1HD2 ASN 95 3.376 -6.311 -12.372 784 HD22 ASN 95 2HD2 ASN 95 3.982 -7.113 -13.769 785 H GLU 96 H GLU 96 5.113 -6.140 -11.135 786 HA GLU 96 HA GLU 96 7.690 -5.419 -10.349 787 HB2 GLU 96 2HB GLU 96 8.370 -7.757 -10.983 788 HB3 GLU 96 3HB GLU 96 6.991 -7.671 -9.908 789 HG2 GLU 96 2HG GLU 96 6.353 -7.886 -12.818 790 HG3 GLU 96 3HG GLU 96 7.130 -9.288 -12.106 791 H LYS 97 H LYS 97 8.949 -4.119 -11.475 792 HA LYS 97 HA LYS 97 8.877 -4.061 -14.404 793 HB2 LYS 97 2HB LYS 97 8.589 -1.971 -12.897 794 HB3 LYS 97 3HB LYS 97 10.311 -2.095 -12.565 795 HG2 LYS 97 2HG LYS 97 9.991 -0.460 -14.310 796 HG3 LYS 97 3HG LYS 97 10.758 -1.882 -15.019 797 HD2 LYS 97 2HD LYS 97 9.013 -1.032 -16.521 798 HD3 LYS 97 3HD LYS 97 8.560 -2.623 -15.911 799 HE2 LYS 97 2HE LYS 97 7.062 -1.533 -14.240 800 HE3 LYS 97 3HE LYS 97 7.500 0.045 -14.899 801 HZ1 LYS 97 1HZ LYS 97 5.402 -0.724 -15.792 802 HZ2 LYS 97 2HZ LYS 97 6.124 -2.136 -16.374 803 HZ3 LYS 97 3HZ LYS 97 6.556 -0.641 -17.027 Start of MODEL 14 1 H1 MET 1 1H MET 1 16.615 26.672 -28.739 2 H2 MET 1 2H MET 1 17.988 26.699 -27.754 3 H3 MET 1 3H MET 1 16.674 25.732 -27.342 4 HA MET 1 HA MET 1 17.004 24.342 -29.237 5 HB2 MET 1 2HB MET 1 17.936 26.190 -30.683 6 HB3 MET 1 3HB MET 1 19.443 26.107 -29.777 7 HG2 MET 1 2HG MET 1 19.667 24.941 -31.892 8 HG3 MET 1 3HG MET 1 19.760 23.777 -30.565 9 HE1 MET 1 1HE MET 1 17.500 25.238 -33.463 10 HE2 MET 1 2HE MET 1 16.478 25.511 -32.049 11 HE3 MET 1 3HE MET 1 16.007 24.315 -33.249 12 H GLY 2 H GLY 2 17.851 22.442 -28.505 13 HA2 GLY 2 2HA GLY 2 19.421 20.941 -27.729 14 HA3 GLY 2 3HA GLY 2 20.524 22.264 -27.404 15 H HIS 3 H HIS 3 17.815 20.397 -26.153 16 HA HIS 3 HA HIS 3 18.397 21.365 -23.404 17 HB2 HIS 3 2HB HIS 3 15.825 20.330 -24.657 18 HB3 HIS 3 3HB HIS 3 16.050 20.337 -22.908 19 HD1 HIS 3 HD1 HIS 3 15.125 22.353 -21.833 20 HD2 HIS 3 HD2 HIS 3 16.295 23.124 -25.741 21 HE1 HIS 3 HE1 HIS 3 14.567 24.767 -22.240 22 HE2 HIS 3 HE2 HIS 3 15.327 25.221 -24.590 23 H HIS 4 H HIS 4 18.026 19.750 -21.717 24 HA HIS 4 HA HIS 4 19.515 17.337 -22.142 25 HB2 HIS 4 2HB HIS 4 18.028 18.432 -19.713 26 HB3 HIS 4 3HB HIS 4 19.015 16.975 -19.676 27 HD1 HIS 4 HD1 HIS 4 19.261 20.367 -18.782 28 HD2 HIS 4 HD2 HIS 4 21.817 17.724 -20.715 29 HE1 HIS 4 HE1 HIS 4 21.563 21.333 -18.500 30 HE2 HIS 4 HE2 HIS 4 23.093 19.669 -19.597 31 H HIS 5 H HIS 5 18.659 15.208 -21.256 32 HA HIS 5 HA HIS 5 15.880 14.648 -22.120 33 HB2 HIS 5 2HB HIS 5 18.305 13.047 -23.098 34 HB3 HIS 5 3HB HIS 5 16.624 12.790 -23.555 35 HD1 HIS 5 HD1 HIS 5 19.610 14.227 -24.831 36 HD2 HIS 5 HD2 HIS 5 15.606 15.349 -24.936 37 HE1 HIS 5 HE1 HIS 5 19.417 15.849 -26.738 38 HE2 HIS 5 HE2 HIS 5 17.026 16.621 -26.679 39 H HIS 6 H HIS 6 18.841 12.960 -21.112 40 HA HIS 6 HA HIS 6 17.600 11.816 -18.736 41 HB2 HIS 6 2HB HIS 6 18.235 9.478 -19.410 42 HB3 HIS 6 3HB HIS 6 16.977 10.159 -20.430 43 HD1 HIS 6 HD1 HIS 6 17.407 10.179 -22.911 44 HD2 HIS 6 HD2 HIS 6 20.835 9.304 -20.733 45 HE1 HIS 6 HE1 HIS 6 19.109 9.451 -24.602 46 HE2 HIS 6 HE2 HIS 6 21.150 8.870 -23.260 47 H HIS 7 H HIS 7 19.168 11.080 -17.234 48 HA HIS 7 HA HIS 7 22.004 11.324 -17.813 49 HB2 HIS 7 2HB HIS 7 21.426 13.674 -17.467 50 HB3 HIS 7 3HB HIS 7 20.580 13.302 -15.974 51 HD1 HIS 7 HD1 HIS 7 21.932 13.507 -13.874 52 HD2 HIS 7 HD2 HIS 7 24.334 13.250 -17.252 53 HE1 HIS 7 HE1 HIS 7 24.276 13.845 -13.060 54 HE2 HIS 7 HE2 HIS 7 25.700 13.771 -15.124 55 H HIS 8 H HIS 8 23.166 10.016 -16.527 56 HA HIS 8 HA HIS 8 22.460 9.452 -13.777 57 HB2 HIS 8 2HB HIS 8 22.530 6.932 -14.088 58 HB3 HIS 8 3HB HIS 8 21.113 7.700 -14.785 59 HD1 HIS 8 HD1 HIS 8 24.206 5.801 -15.734 60 HD2 HIS 8 HD2 HIS 8 20.931 7.548 -17.604 61 HE1 HIS 8 HE1 HIS 8 24.219 4.921 -18.077 62 HE2 HIS 8 HE2 HIS 8 22.135 5.838 -19.124 63 H GLU 9 H GLU 9 24.350 10.112 -12.971 64 HA GLU 9 HA GLU 9 26.967 9.767 -13.973 65 HB2 GLU 9 2HB GLU 9 26.016 10.028 -11.082 66 HB3 GLU 9 3HB GLU 9 27.679 10.261 -11.619 67 HG2 GLU 9 2HG GLU 9 27.142 12.257 -12.789 68 HG3 GLU 9 3HG GLU 9 25.409 11.945 -12.710 69 H ASN 10 H ASN 10 25.046 7.938 -11.652 70 HA ASN 10 HA ASN 10 25.973 5.392 -12.558 71 HB2 ASN 10 2HB ASN 10 27.841 5.986 -10.983 72 HB3 ASN 10 3HB ASN 10 26.670 6.192 -9.687 73 HD21 ASN 10 1HD2 ASN 10 27.552 4.557 -8.410 74 HD22 ASN 10 2HD2 ASN 10 27.466 2.888 -8.837 75 H LEU 11 H LEU 11 24.572 3.733 -11.856 76 HA LEU 11 HA LEU 11 22.002 4.548 -10.796 77 HB2 LEU 11 2HB LEU 11 21.403 2.127 -11.144 78 HB3 LEU 11 3HB LEU 11 21.943 2.979 -12.575 79 HG LEU 11 HG LEU 11 24.268 1.867 -12.154 80 HD11 LEU 11 1HD1 LEU 11 23.916 1.025 -9.887 81 HD12 LEU 11 2HD1 LEU 11 24.258 -0.297 -10.997 82 HD13 LEU 11 3HD1 LEU 11 22.604 -0.016 -10.449 83 HD21 LEU 11 1HD2 LEU 11 21.945 0.108 -13.011 84 HD22 LEU 11 2HD2 LEU 11 23.648 -0.132 -13.416 85 HD23 LEU 11 3HD2 LEU 11 22.790 1.276 -14.031 86 H TYR 12 H TYR 12 20.988 3.365 -8.997 87 HA TYR 12 HA TYR 12 22.765 3.315 -6.682 88 HB2 TYR 12 2HB TYR 12 19.736 3.064 -6.878 89 HB3 TYR 12 3HB TYR 12 20.648 3.185 -5.379 90 HD1 TYR 12 HD1 TYR 12 19.478 5.041 -8.364 91 HD2 TYR 12 HD2 TYR 12 21.557 5.315 -4.645 92 HE1 TYR 12 HE1 TYR 12 19.349 7.491 -8.473 93 HE2 TYR 12 HE2 TYR 12 21.416 7.751 -4.747 94 HH TYR 12 HH TYR 12 19.444 9.400 -6.965 95 H PHE 13 H PHE 13 23.881 1.357 -7.432 96 HA PHE 13 HA PHE 13 22.562 -1.205 -7.217 97 HB2 PHE 13 2HB PHE 13 24.673 -0.788 -8.565 98 HB3 PHE 13 3HB PHE 13 25.557 -0.613 -7.053 99 HD1 PHE 13 HD1 PHE 13 23.450 -3.015 -9.005 100 HD2 PHE 13 HD2 PHE 13 26.436 -2.576 -5.975 101 HE1 PHE 13 HE1 PHE 13 23.758 -5.454 -8.945 102 HE2 PHE 13 HE2 PHE 13 26.741 -5.018 -5.925 103 HZ PHE 13 HZ PHE 13 25.397 -6.459 -7.408 104 H GLN 14 H GLN 14 24.303 0.974 -5.111 105 HA GLN 14 HA GLN 14 24.402 -0.792 -2.808 106 HB2 GLN 14 2HB GLN 14 24.978 2.200 -3.027 107 HB3 GLN 14 3HB GLN 14 25.374 1.168 -1.654 108 HG2 GLN 14 2HG GLN 14 26.894 -0.148 -3.119 109 HG3 GLN 14 3HG GLN 14 26.520 0.957 -4.444 110 HE21 GLN 14 1HE2 GLN 14 28.709 1.558 -4.640 111 HE22 GLN 14 2HE2 GLN 14 29.494 2.582 -3.486 112 H SER 15 H SER 15 21.991 -1.116 -3.157 113 HA SER 15 HA SER 15 20.425 0.578 -1.361 114 HB2 SER 15 2HB SER 15 19.583 -0.023 -4.239 115 HB3 SER 15 3HB SER 15 18.552 0.730 -3.020 116 HG SER 15 HG SER 15 20.604 2.218 -2.951 117 H HIS 16 H HIS 16 19.295 -0.702 -0.067 118 HA HIS 16 HA HIS 16 19.053 -3.537 -0.377 119 HB2 HIS 16 2HB HIS 16 19.142 -2.314 1.847 120 HB3 HIS 16 3HB HIS 16 17.548 -1.653 1.507 121 HD1 HIS 16 HD1 HIS 16 16.184 -2.784 3.292 122 HD2 HIS 16 HD2 HIS 16 18.588 -5.466 1.231 123 HE1 HIS 16 HE1 HIS 16 15.541 -5.054 4.138 124 HE2 HIS 16 HE2 HIS 16 16.871 -6.649 2.742 125 H MET 17 H MET 17 17.276 -4.709 -1.184 126 HA MET 17 HA MET 17 15.595 -3.596 -3.126 127 HB2 MET 17 2HB MET 17 16.136 -5.997 -3.098 128 HB3 MET 17 3HB MET 17 15.236 -6.222 -1.605 129 HG2 MET 17 2HG MET 17 13.146 -5.607 -2.813 130 HG3 MET 17 3HG MET 17 14.077 -5.467 -4.305 131 HE1 MET 17 1HE MET 17 12.263 -7.149 -5.409 132 HE2 MET 17 2HE MET 17 11.426 -7.349 -3.868 133 HE3 MET 17 3HE MET 17 11.934 -8.767 -4.784 134 H THR 18 H THR 18 15.083 -3.978 0.276 135 HA THR 18 HA THR 18 12.227 -3.386 0.212 136 HB THR 18 HB THR 18 13.969 -3.753 2.690 137 HG1 THR 18 HG1 THR 18 12.765 -5.875 1.210 138 HG21 THR 18 1HG2 THR 18 11.929 -4.766 3.635 139 HG22 THR 18 2HG2 THR 18 11.078 -4.494 2.113 140 HG23 THR 18 3HG2 THR 18 11.614 -3.119 3.081 141 H ASP 19 H ASP 19 14.585 -1.335 -0.383 142 HA ASP 19 HA ASP 19 13.709 0.800 1.501 143 HB2 ASP 19 2HB ASP 19 16.135 0.218 1.693 144 HB3 ASP 19 3HB ASP 19 16.365 0.627 -0.003 145 H GLU 20 H GLU 20 13.043 2.701 0.685 146 HA GLU 20 HA GLU 20 12.641 4.486 -0.596 147 HB2 GLU 20 2HB GLU 20 14.792 4.154 -1.750 148 HB3 GLU 20 3HB GLU 20 14.040 3.032 -2.881 149 HG2 GLU 20 2HG GLU 20 12.542 4.950 -3.623 150 HG3 GLU 20 3HG GLU 20 13.523 6.009 -2.616 151 H LEU 21 H LEU 21 11.992 1.452 -2.408 152 HA LEU 21 HA LEU 21 9.871 2.408 -3.957 153 HB2 LEU 21 2HB LEU 21 9.352 0.178 -4.532 154 HB3 LEU 21 3HB LEU 21 11.084 0.198 -4.272 155 HG LEU 21 HG LEU 21 9.016 -0.927 -2.330 156 HD11 LEU 21 1HD1 LEU 21 10.961 -2.420 -4.132 157 HD12 LEU 21 2HD1 LEU 21 9.209 -2.326 -4.341 158 HD13 LEU 21 3HD1 LEU 21 9.882 -3.146 -2.937 159 HD21 LEU 21 1HD2 LEU 21 12.042 -1.052 -2.138 160 HD22 LEU 21 2HD2 LEU 21 10.892 -1.848 -1.058 161 HD23 LEU 21 3HD2 LEU 21 10.973 -0.089 -1.114 162 H LEU 22 H LEU 22 9.918 1.281 -0.647 163 HA LEU 22 HA LEU 22 7.132 1.126 -0.172 164 HB2 LEU 22 2HB LEU 22 9.426 1.661 1.767 165 HB3 LEU 22 3HB LEU 22 7.784 1.252 2.241 166 HG LEU 22 HG LEU 22 9.685 -0.582 0.715 167 HD11 LEU 22 1HD1 LEU 22 10.362 -0.305 3.061 168 HD12 LEU 22 2HD1 LEU 22 9.764 -1.933 2.765 169 HD13 LEU 22 3HD1 LEU 22 8.743 -0.760 3.603 170 HD21 LEU 22 1HD2 LEU 22 7.980 -2.330 1.019 171 HD22 LEU 22 2HD2 LEU 22 7.370 -0.995 0.046 172 HD23 LEU 22 3HD2 LEU 22 6.880 -1.148 1.736 173 H GLU 23 H GLU 23 9.536 3.710 0.265 174 HA GLU 23 HA GLU 23 7.952 5.697 1.437 175 HB2 GLU 23 2HB GLU 23 10.463 5.768 1.198 176 HB3 GLU 23 3HB GLU 23 10.268 6.126 -0.512 177 HG2 GLU 23 2HG GLU 23 10.738 8.194 0.633 178 HG3 GLU 23 3HG GLU 23 9.060 8.230 0.106 179 H ARG 24 H ARG 24 8.364 4.772 -1.964 180 HA ARG 24 HA ARG 24 6.983 6.891 -3.227 181 HB2 ARG 24 2HB ARG 24 7.068 3.983 -4.139 182 HB3 ARG 24 3HB ARG 24 6.749 5.384 -5.154 183 HG2 ARG 24 2HG ARG 24 9.373 4.692 -3.806 184 HG3 ARG 24 3HG ARG 24 9.000 4.534 -5.521 185 HD2 ARG 24 2HD ARG 24 8.728 7.017 -5.652 186 HD3 ARG 24 3HD ARG 24 9.189 7.131 -3.950 187 HE ARG 24 HE ARG 24 11.136 5.724 -5.465 188 HH11 ARG 24 1HH1 ARG 24 10.072 9.009 -4.732 189 HH12 ARG 24 2HH1 ARG 24 11.623 9.707 -5.079 190 HH21 ARG 24 1HH2 ARG 24 13.130 6.643 -5.961 191 HH22 ARG 24 2HH2 ARG 24 13.362 8.354 -5.779 192 H LEU 25 H LEU 25 5.842 3.821 -1.814 193 HA LEU 25 HA LEU 25 3.099 4.164 -2.646 194 HB2 LEU 25 2HB LEU 25 4.525 2.151 -0.898 195 HB3 LEU 25 3HB LEU 25 2.783 2.267 -0.789 196 HG LEU 25 HG LEU 25 3.367 0.447 -2.285 197 HD11 LEU 25 1HD1 LEU 25 2.221 2.761 -3.887 198 HD12 LEU 25 2HD1 LEU 25 1.320 1.686 -2.817 199 HD13 LEU 25 3HD1 LEU 25 2.065 1.044 -4.277 200 HD21 LEU 25 1HD2 LEU 25 4.583 0.747 -4.402 201 HD22 LEU 25 2HD2 LEU 25 5.597 1.171 -3.026 202 HD23 LEU 25 3HD2 LEU 25 4.879 2.446 -4.013 203 H ARG 26 H ARG 26 4.991 4.959 0.239 204 HA ARG 26 HA ARG 26 2.935 5.743 1.973 205 HB2 ARG 26 2HB ARG 26 5.136 5.728 2.937 206 HB3 ARG 26 3HB ARG 26 5.787 6.798 1.699 207 HG2 ARG 26 2HG ARG 26 4.547 8.685 2.601 208 HG3 ARG 26 3HG ARG 26 3.708 7.648 3.743 209 HD2 ARG 26 2HD ARG 26 5.748 7.294 5.001 210 HD3 ARG 26 3HD ARG 26 6.697 8.165 3.784 211 HE ARG 26 HE ARG 26 4.508 9.521 5.233 212 HH11 ARG 26 1HH1 ARG 26 7.924 9.370 4.438 213 HH12 ARG 26 2HH1 ARG 26 8.278 10.916 5.155 214 HH21 ARG 26 1HH2 ARG 26 4.950 11.566 6.087 215 HH22 ARG 26 2HH2 ARG 26 6.581 12.169 6.094 216 H GLN 27 H GLN 27 4.610 7.591 -0.579 217 HA GLN 27 HA GLN 27 3.433 10.093 -0.141 218 HB2 GLN 27 2HB GLN 27 4.237 9.007 -2.870 219 HB3 GLN 27 3HB GLN 27 4.120 10.696 -2.399 220 HG2 GLN 27 2HG GLN 27 6.216 8.676 -1.590 221 HG3 GLN 27 3HG GLN 27 6.429 10.162 -2.508 222 HE21 GLN 27 1HE2 GLN 27 6.222 8.759 0.628 223 HE22 GLN 27 2HE2 GLN 27 6.516 10.191 1.541 224 H LEU 28 H LEU 28 2.195 7.260 -1.811 225 HA LEU 28 HA LEU 28 -0.099 8.563 -2.993 226 HB2 LEU 28 2HB LEU 28 0.906 6.508 -3.982 227 HB3 LEU 28 3HB LEU 28 0.446 5.599 -2.549 228 HG LEU 28 HG LEU 28 -1.971 6.087 -3.062 229 HD11 LEU 28 1HD1 LEU 28 -1.728 8.134 -4.365 230 HD12 LEU 28 2HD1 LEU 28 -2.626 6.919 -5.267 231 HD13 LEU 28 3HD1 LEU 28 -0.937 7.241 -5.671 232 HD21 LEU 28 1HD2 LEU 28 -0.962 3.956 -3.715 233 HD22 LEU 28 2HD2 LEU 28 -0.485 4.641 -5.271 234 HD23 LEU 28 3HD2 LEU 28 -2.194 4.461 -4.870 235 H PHE 29 H PHE 29 0.521 6.608 -0.082 236 HA PHE 29 HA PHE 29 -2.195 6.406 0.754 237 HB2 PHE 29 2HB PHE 29 0.314 6.227 2.471 238 HB3 PHE 29 3HB PHE 29 -1.293 5.686 2.944 239 HD1 PHE 29 HD1 PHE 29 -1.943 4.388 0.145 240 HD2 PHE 29 HD2 PHE 29 1.387 4.096 2.822 241 HE1 PHE 29 HE1 PHE 29 -1.419 2.155 -0.731 242 HE2 PHE 29 HE2 PHE 29 1.895 1.864 1.930 243 HZ PHE 29 HZ PHE 29 0.496 0.889 0.159 244 H GLU 30 H GLU 30 0.232 8.875 1.090 245 HA GLU 30 HA GLU 30 -1.188 10.473 3.044 246 HB2 GLU 30 2HB GLU 30 1.191 11.188 1.264 247 HB3 GLU 30 3HB GLU 30 0.584 12.163 2.603 248 HG2 GLU 30 2HG GLU 30 1.108 10.304 4.170 249 HG3 GLU 30 3HG GLU 30 1.780 9.377 2.830 250 H GLU 31 H GLU 31 -0.687 10.473 -0.460 251 HA GLU 31 HA GLU 31 -2.186 12.655 -1.315 252 HB2 GLU 31 2HB GLU 31 -0.873 11.322 -2.869 253 HB3 GLU 31 3HB GLU 31 -1.801 9.877 -2.513 254 HG2 GLU 31 2HG GLU 31 -2.399 10.662 -4.700 255 HG3 GLU 31 3HG GLU 31 -3.773 10.896 -3.623 256 H LEU 32 H LEU 32 -3.243 9.506 -0.177 257 HA LEU 32 HA LEU 32 -6.076 10.040 -0.691 258 HB2 LEU 32 2HB LEU 32 -4.663 7.647 0.554 259 HB3 LEU 32 3HB LEU 32 -6.364 7.708 0.093 260 HG LEU 32 HG LEU 32 -4.068 8.065 -1.873 261 HD11 LEU 32 1HD1 LEU 32 -3.942 5.815 -1.005 262 HD12 LEU 32 2HD1 LEU 32 -4.518 5.783 -2.669 263 HD13 LEU 32 3HD1 LEU 32 -5.654 5.546 -1.337 264 HD21 LEU 32 1HD2 LEU 32 -7.032 7.673 -2.361 265 HD22 LEU 32 2HD2 LEU 32 -5.785 7.735 -3.605 266 HD23 LEU 32 3HD2 LEU 32 -6.106 9.155 -2.616 267 H HIS 33 H HIS 33 -3.826 9.974 2.002 268 HA HIS 33 HA HIS 33 -5.596 9.995 4.192 269 HB2 HIS 33 2HB HIS 33 -3.235 9.514 4.518 270 HB3 HIS 33 3HB HIS 33 -2.768 11.083 3.883 271 HD1 HIS 33 HD1 HIS 33 -1.600 12.033 5.840 272 HD2 HIS 33 HD2 HIS 33 -5.320 10.512 6.888 273 HE1 HIS 33 HE1 HIS 33 -1.938 12.686 8.236 274 HE2 HIS 33 HE2 HIS 33 -4.297 11.983 8.749 275 H GLU 34 H GLU 34 -4.618 12.593 2.023 276 HA GLU 34 HA GLU 34 -5.329 14.802 3.661 277 HB2 GLU 34 2HB GLU 34 -5.188 16.171 1.652 278 HB3 GLU 34 3HB GLU 34 -3.869 15.006 1.661 279 HG2 GLU 34 2HG GLU 34 -5.118 13.593 0.052 280 HG3 GLU 34 3HG GLU 34 -6.425 14.772 0.047 281 H ARG 35 H ARG 35 -7.317 12.613 1.767 282 HA ARG 35 HA ARG 35 -9.710 14.237 2.469 283 HB2 ARG 35 2HB ARG 35 -11.006 12.734 0.909 284 HB3 ARG 35 3HB ARG 35 -9.869 13.819 0.141 285 HG2 ARG 35 2HG ARG 35 -9.091 10.955 0.673 286 HG3 ARG 35 3HG ARG 35 -10.109 11.357 -0.709 287 HD2 ARG 35 2HD ARG 35 -7.303 12.396 -0.167 288 HD3 ARG 35 3HD ARG 35 -7.786 11.222 -1.397 289 HE ARG 35 HE ARG 35 -9.149 13.738 -1.645 290 HH11 ARG 35 1HH1 ARG 35 -6.150 12.080 -2.536 291 HH12 ARG 35 2HH1 ARG 35 -5.851 13.113 -3.897 292 HH21 ARG 35 1HH2 ARG 35 -8.706 15.104 -3.406 293 HH22 ARG 35 2HH2 ARG 35 -7.302 14.828 -4.384 294 H GLY 36 H GLY 36 -7.951 11.398 3.192 295 HA2 GLY 36 2HA GLY 36 -8.118 9.866 4.878 296 HA3 GLY 36 3HA GLY 36 -9.341 10.906 5.593 297 H THR 37 H THR 37 -9.666 9.456 2.401 298 HA THR 37 HA THR 37 -12.148 8.146 3.181 299 HB THR 37 HB THR 37 -12.006 9.409 1.043 300 HG1 THR 37 HG1 THR 37 -13.586 8.012 0.833 301 HG21 THR 37 1HG2 THR 37 -9.690 8.850 0.349 302 HG22 THR 37 2HG2 THR 37 -10.860 8.484 -0.919 303 HG23 THR 37 3HG2 THR 37 -10.186 7.179 0.060 304 H GLU 38 H GLU 38 -12.485 5.840 2.149 305 HA GLU 38 HA GLU 38 -10.725 4.068 3.502 306 HB2 GLU 38 2HB GLU 38 -12.080 2.228 2.526 307 HB3 GLU 38 3HB GLU 38 -13.069 3.470 3.281 308 HG2 GLU 38 2HG GLU 38 -13.738 4.354 1.137 309 HG3 GLU 38 3HG GLU 38 -12.603 3.305 0.287 310 H ILE 39 H ILE 39 -8.833 3.457 2.870 311 HA ILE 39 HA ILE 39 -7.961 3.332 0.067 312 HB ILE 39 HB ILE 39 -6.263 3.101 2.612 313 HG12 ILE 39 2HG1 ILE 39 -6.680 5.647 0.968 314 HG13 ILE 39 3HG1 ILE 39 -7.466 5.321 2.508 315 HG21 ILE 39 1HG2 ILE 39 -4.363 3.661 1.147 316 HG22 ILE 39 2HG2 ILE 39 -5.443 3.742 -0.246 317 HG23 ILE 39 3HG2 ILE 39 -5.192 2.207 0.587 318 HD11 ILE 39 1HD1 ILE 39 -4.496 5.607 2.072 319 HD12 ILE 39 2HD1 ILE 39 -5.286 5.263 3.615 320 HD13 ILE 39 3HD1 ILE 39 -5.582 6.793 2.792 321 H VAL 40 H VAL 40 -8.438 1.316 -0.723 322 HA VAL 40 HA VAL 40 -8.034 -1.100 0.923 323 HB VAL 40 HB VAL 40 -9.411 -0.864 -1.808 324 HG11 VAL 40 1HG1 VAL 40 -9.371 -3.174 0.180 325 HG12 VAL 40 2HG1 VAL 40 -8.536 -3.114 -1.375 326 HG13 VAL 40 3HG1 VAL 40 -10.297 -3.122 -1.325 327 HG21 VAL 40 1HG2 VAL 40 -10.709 -0.992 0.948 328 HG22 VAL 40 2HG2 VAL 40 -11.562 -1.031 -0.598 329 HG23 VAL 40 3HG2 VAL 40 -10.669 0.412 -0.122 330 H VAL 41 H VAL 41 -5.920 -1.558 0.812 331 HA VAL 41 HA VAL 41 -4.447 -1.552 -1.760 332 HB VAL 41 HB VAL 41 -3.376 -1.744 1.119 333 HG11 VAL 41 1HG1 VAL 41 -1.861 -2.798 -0.507 334 HG12 VAL 41 2HG1 VAL 41 -1.157 -1.321 0.148 335 HG13 VAL 41 3HG1 VAL 41 -1.844 -1.322 -1.479 336 HG21 VAL 41 1HG2 VAL 41 -3.397 0.669 -0.735 337 HG22 VAL 41 2HG2 VAL 41 -2.640 0.586 0.859 338 HG23 VAL 41 3HG2 VAL 41 -4.391 0.453 0.710 339 H GLU 42 H GLU 42 -3.691 -3.507 -2.568 340 HA GLU 42 HA GLU 42 -3.727 -5.858 -0.811 341 HB2 GLU 42 2HB GLU 42 -5.806 -5.982 -2.137 342 HB3 GLU 42 3HB GLU 42 -4.885 -5.840 -3.631 343 HG2 GLU 42 2HG GLU 42 -3.833 -7.993 -3.270 344 HG3 GLU 42 3HG GLU 42 -4.528 -8.113 -1.654 345 H VAL 43 H VAL 43 -1.970 -7.014 -0.920 346 HA VAL 43 HA VAL 43 0.214 -6.387 -2.757 347 HB VAL 43 HB VAL 43 0.020 -8.453 -0.487 348 HG11 VAL 43 1HG1 VAL 43 2.471 -8.501 -0.538 349 HG12 VAL 43 2HG1 VAL 43 2.491 -7.388 -1.905 350 HG13 VAL 43 3HG1 VAL 43 1.793 -8.999 -2.084 351 HG21 VAL 43 1HG2 VAL 43 1.177 -5.632 -0.371 352 HG22 VAL 43 2HG2 VAL 43 1.229 -6.826 0.930 353 HG23 VAL 43 3HG2 VAL 43 -0.320 -6.183 0.390 354 H HIS 44 H HIS 44 0.797 -7.734 -4.451 355 HA HIS 44 HA HIS 44 -0.395 -10.419 -4.753 356 HB2 HIS 44 2HB HIS 44 -0.284 -8.188 -6.825 357 HB3 HIS 44 3HB HIS 44 -0.366 -9.872 -7.324 358 HD1 HIS 44 HD1 HIS 44 -2.602 -7.736 -7.937 359 HD2 HIS 44 HD2 HIS 44 -2.694 -10.505 -4.852 360 HE1 HIS 44 HE1 HIS 44 -5.034 -8.123 -7.443 361 HE2 HIS 44 HE2 HIS 44 -5.041 -9.621 -5.434 362 H ILE 45 H ILE 45 1.416 -11.572 -4.273 363 HA ILE 45 HA ILE 45 3.676 -11.413 -6.169 364 HB ILE 45 HB ILE 45 3.981 -11.943 -3.169 365 HG12 ILE 45 2HG1 ILE 45 4.936 -9.575 -4.860 366 HG13 ILE 45 3HG1 ILE 45 3.691 -9.536 -3.618 367 HG21 ILE 45 1HG2 ILE 45 6.423 -12.102 -3.618 368 HG22 ILE 45 2HG2 ILE 45 6.119 -11.927 -5.346 369 HG23 ILE 45 3HG2 ILE 45 5.523 -13.348 -4.489 370 HD11 ILE 45 1HD1 ILE 45 6.633 -10.012 -3.202 371 HD12 ILE 45 2HD1 ILE 45 5.406 -10.105 -1.937 372 HD13 ILE 45 3HD1 ILE 45 5.703 -8.579 -2.766 373 H ASN 46 H ASN 46 3.027 -13.061 -7.389 374 HA ASN 46 HA ASN 46 3.052 -15.149 -8.186 375 HB2 ASN 46 2HB ASN 46 4.096 -15.912 -5.431 376 HB3 ASN 46 3HB ASN 46 3.894 -17.077 -6.730 377 HD21 ASN 46 1HD2 ASN 46 5.015 -13.773 -7.384 378 HD22 ASN 46 2HD2 ASN 46 6.632 -14.213 -7.770 379 H GLY 47 H GLY 47 1.973 -15.744 -4.888 380 HA2 GLY 47 2HA GLY 47 -0.770 -16.414 -5.806 381 HA3 GLY 47 3HA GLY 47 0.134 -17.555 -4.811 382 H GLU 48 H GLU 48 1.381 -15.056 -3.477 383 HA GLU 48 HA GLU 48 -0.416 -14.997 -1.248 384 HB2 GLU 48 2HB GLU 48 2.205 -13.503 -1.767 385 HB3 GLU 48 3HB GLU 48 1.329 -13.492 -0.235 386 HG2 GLU 48 2HG GLU 48 2.588 -15.896 -1.570 387 HG3 GLU 48 3HG GLU 48 3.184 -15.063 -0.135 388 H ARG 49 H ARG 49 -2.194 -13.832 -1.435 389 HA ARG 49 HA ARG 49 -2.002 -11.041 -2.348 390 HB2 ARG 49 2HB ARG 49 -4.348 -11.159 -3.097 391 HB3 ARG 49 3HB ARG 49 -3.276 -12.219 -3.998 392 HG2 ARG 49 2HG ARG 49 -4.151 -14.165 -2.731 393 HG3 ARG 49 3HG ARG 49 -5.248 -13.084 -1.858 394 HD2 ARG 49 2HD ARG 49 -5.238 -13.681 -4.840 395 HD3 ARG 49 3HD ARG 49 -6.488 -14.114 -3.665 396 HE ARG 49 HE ARG 49 -6.522 -11.479 -3.415 397 HH11 ARG 49 1HH1 ARG 49 -6.474 -13.382 -6.401 398 HH12 ARG 49 2HH1 ARG 49 -7.305 -12.161 -7.313 399 HH21 ARG 49 1HH2 ARG 49 -7.526 -9.884 -4.646 400 HH22 ARG 49 2HH2 ARG 49 -7.900 -10.184 -6.319 401 H ASP 50 H ASP 50 -2.191 -9.679 -0.793 402 HA ASP 50 HA ASP 50 -3.622 -10.432 1.717 403 HB2 ASP 50 2HB ASP 50 -1.134 -10.262 1.965 404 HB3 ASP 50 3HB ASP 50 -1.199 -8.631 1.317 405 H GLU 51 H GLU 51 -5.498 -9.338 1.761 406 HA GLU 51 HA GLU 51 -5.785 -6.698 0.509 407 HB2 GLU 51 2HB GLU 51 -7.547 -8.471 0.123 408 HB3 GLU 51 3HB GLU 51 -7.944 -8.410 1.838 409 HG2 GLU 51 2HG GLU 51 -8.342 -5.858 1.427 410 HG3 GLU 51 3HG GLU 51 -8.386 -6.287 -0.281 411 H ILE 52 H ILE 52 -6.017 -4.873 1.653 412 HA ILE 52 HA ILE 52 -6.113 -4.875 4.603 413 HB ILE 52 HB ILE 52 -4.201 -2.944 3.198 414 HG12 ILE 52 2HG1 ILE 52 -3.121 -5.673 4.066 415 HG13 ILE 52 3HG1 ILE 52 -3.651 -5.377 2.414 416 HG21 ILE 52 1HG2 ILE 52 -4.109 -4.276 5.949 417 HG22 ILE 52 2HG2 ILE 52 -4.712 -2.653 5.597 418 HG23 ILE 52 3HG2 ILE 52 -3.008 -3.028 5.354 419 HD11 ILE 52 1HD1 ILE 52 -1.248 -5.127 2.628 420 HD12 ILE 52 2HD1 ILE 52 -1.466 -3.860 3.833 421 HD13 ILE 52 3HD1 ILE 52 -2.004 -3.600 2.170 422 H ARG 53 H ARG 53 -7.488 -3.206 5.314 423 HA ARG 53 HA ARG 53 -8.127 -0.991 3.440 424 HB2 ARG 53 2HB ARG 53 -10.130 -2.413 5.258 425 HB3 ARG 53 3HB ARG 53 -10.475 -1.003 4.262 426 HG2 ARG 53 2HG ARG 53 -9.988 -2.357 2.221 427 HG3 ARG 53 3HG ARG 53 -9.721 -3.766 3.252 428 HD2 ARG 53 2HD ARG 53 -11.966 -3.844 2.302 429 HD3 ARG 53 3HD ARG 53 -12.073 -3.608 4.049 430 HE ARG 53 HE ARG 53 -12.429 -1.442 2.042 431 HH11 ARG 53 1HH1 ARG 53 -13.357 -2.918 5.115 432 HH12 ARG 53 2HH1 ARG 53 -14.561 -1.716 5.447 433 HH21 ARG 53 1HH2 ARG 53 -14.023 0.122 2.513 434 HH22 ARG 53 2HH2 ARG 53 -14.939 -0.001 3.986 435 H VAL 54 H VAL 54 -7.235 0.754 4.287 436 HA VAL 54 HA VAL 54 -7.569 1.426 7.168 437 HB VAL 54 HB VAL 54 -5.426 2.704 7.022 438 HG11 VAL 54 1HG1 VAL 54 -3.882 0.793 7.102 439 HG12 VAL 54 2HG1 VAL 54 -5.075 -0.235 6.303 440 HG13 VAL 54 3HG1 VAL 54 -5.396 0.409 7.913 441 HG21 VAL 54 1HG2 VAL 54 -5.075 1.421 4.276 442 HG22 VAL 54 2HG2 VAL 54 -3.900 2.445 5.110 443 HG23 VAL 54 3HG2 VAL 54 -5.432 3.123 4.576 444 H ARG 55 H ARG 55 -7.996 3.761 7.559 445 HA ARG 55 HA ARG 55 -8.942 5.198 5.123 446 HB2 ARG 55 2HB ARG 55 -10.431 5.149 7.785 447 HB3 ARG 55 3HB ARG 55 -10.952 5.920 6.290 448 HG2 ARG 55 2HG ARG 55 -11.214 3.707 5.224 449 HG3 ARG 55 3HG ARG 55 -10.648 2.926 6.704 450 HD2 ARG 55 2HD ARG 55 -13.091 2.840 6.553 451 HD3 ARG 55 3HD ARG 55 -12.598 3.823 7.932 452 HE ARG 55 HE ARG 55 -13.120 5.804 6.615 453 HH11 ARG 55 1HH1 ARG 55 -14.490 2.772 5.431 454 HH12 ARG 55 2HH1 ARG 55 -15.755 3.557 4.541 455 HH21 ARG 55 1HH2 ARG 55 -14.761 6.805 5.421 456 HH22 ARG 55 2HH2 ARG 55 -15.902 5.843 4.538 457 H ASN 56 H ASN 56 -9.141 6.197 8.545 458 HA ASN 56 HA ASN 56 -7.564 8.614 7.945 459 HB2 ASN 56 2HB ASN 56 -9.302 7.890 10.355 460 HB3 ASN 56 3HB ASN 56 -8.315 9.342 10.278 461 HD21 ASN 56 1HD2 ASN 56 -10.177 7.972 7.583 462 HD22 ASN 56 2HD2 ASN 56 -11.277 9.283 7.450 463 H ILE 57 H ILE 57 -5.510 7.971 7.931 464 HA ILE 57 HA ILE 57 -4.307 6.834 10.351 465 HB ILE 57 HB ILE 57 -2.791 5.458 8.531 466 HG12 ILE 57 2HG1 ILE 57 -4.257 4.330 6.851 467 HG13 ILE 57 3HG1 ILE 57 -5.591 5.391 7.276 468 HG21 ILE 57 1HG2 ILE 57 -5.388 4.422 9.723 469 HG22 ILE 57 2HG2 ILE 57 -3.831 4.522 10.545 470 HG23 ILE 57 3HG2 ILE 57 -4.030 3.434 9.173 471 HD11 ILE 57 1HD1 ILE 57 -2.992 6.323 6.065 472 HD12 ILE 57 2HD1 ILE 57 -4.458 7.274 6.297 473 HD13 ILE 57 3HD1 ILE 57 -4.443 5.935 5.149 474 H SER 58 H SER 58 -2.529 7.891 10.945 475 HA SER 58 HA SER 58 -1.562 10.160 9.474 476 HB2 SER 58 2HB SER 58 -0.433 8.863 11.987 477 HB3 SER 58 3HB SER 58 -0.128 10.512 11.433 478 HG SER 58 HG SER 58 -2.471 9.380 12.503 479 H LYS 59 H LYS 59 1.094 10.335 9.596 480 HA LYS 59 HA LYS 59 1.776 9.012 7.233 481 HB2 LYS 59 2HB LYS 59 4.121 10.012 7.630 482 HB3 LYS 59 3HB LYS 59 2.758 11.115 7.525 483 HG2 LYS 59 2HG LYS 59 4.024 11.965 9.295 484 HG3 LYS 59 3HG LYS 59 2.714 11.095 10.084 485 HD2 LYS 59 2HD LYS 59 4.243 9.195 10.527 486 HD3 LYS 59 3HD LYS 59 5.559 10.060 9.724 487 HE2 LYS 59 2HE LYS 59 4.102 10.976 12.235 488 HE3 LYS 59 3HE LYS 59 5.704 10.243 12.186 489 HZ1 LYS 59 1HZ LYS 59 4.933 12.845 10.987 490 HZ2 LYS 59 2HZ LYS 59 6.464 12.143 10.871 491 HZ3 LYS 59 3HZ LYS 59 5.864 12.618 12.377 492 H GLU 60 H GLU 60 2.608 8.049 10.543 493 HA GLU 60 HA GLU 60 4.354 5.888 9.591 494 HB2 GLU 60 2HB GLU 60 4.893 5.416 11.869 495 HB3 GLU 60 3HB GLU 60 4.949 7.157 11.667 496 HG2 GLU 60 2HG GLU 60 2.602 5.683 12.900 497 HG3 GLU 60 3HG GLU 60 3.943 6.325 13.825 498 H GLU 61 H GLU 61 1.108 6.346 10.772 499 HA GLU 61 HA GLU 61 0.455 3.631 11.278 500 HB2 GLU 61 2HB GLU 61 -1.362 5.955 10.530 501 HB3 GLU 61 3HB GLU 61 -1.905 4.399 11.154 502 HG2 GLU 61 2HG GLU 61 -0.521 4.867 13.238 503 HG3 GLU 61 3HG GLU 61 -0.274 6.496 12.606 504 H LEU 62 H LEU 62 0.203 5.607 8.329 505 HA LEU 62 HA LEU 62 -0.931 3.488 6.753 506 HB2 LEU 62 2HB LEU 62 -0.496 4.959 4.813 507 HB3 LEU 62 3HB LEU 62 -1.376 5.735 6.108 508 HG LEU 62 HG LEU 62 0.961 6.731 6.793 509 HD11 LEU 62 1HD1 LEU 62 1.534 6.099 3.884 510 HD12 LEU 62 2HD1 LEU 62 2.368 5.430 5.287 511 HD13 LEU 62 3HD1 LEU 62 2.495 7.150 4.932 512 HD21 LEU 62 1HD2 LEU 62 -0.935 8.083 6.028 513 HD22 LEU 62 2HD2 LEU 62 -0.500 7.772 4.344 514 HD23 LEU 62 3HD2 LEU 62 0.588 8.696 5.384 515 H LYS 63 H LYS 63 2.281 4.338 7.741 516 HA LYS 63 HA LYS 63 3.722 2.762 5.888 517 HB2 LYS 63 2HB LYS 63 4.432 3.606 8.715 518 HB3 LYS 63 3HB LYS 63 5.499 2.602 7.746 519 HG2 LYS 63 2HG LYS 63 5.613 4.411 6.038 520 HG3 LYS 63 3HG LYS 63 4.593 5.413 7.070 521 HD2 LYS 63 2HD LYS 63 6.876 6.109 7.416 522 HD3 LYS 63 3HD LYS 63 6.356 5.264 8.871 523 HE2 LYS 63 2HE LYS 63 8.008 3.972 6.669 524 HE3 LYS 63 3HE LYS 63 8.705 4.733 8.093 525 HZ1 LYS 63 1HZ LYS 63 7.479 3.100 9.467 526 HZ2 LYS 63 2HZ LYS 63 8.597 2.385 8.423 527 HZ3 LYS 63 3HZ LYS 63 6.953 2.320 8.057 528 H LYS 64 H LYS 64 1.590 1.786 8.481 529 HA LYS 64 HA LYS 64 2.659 -0.800 8.983 530 HB2 LYS 64 2HB LYS 64 -0.253 0.104 9.031 531 HB3 LYS 64 3HB LYS 64 0.331 -1.425 9.686 532 HG2 LYS 64 2HG LYS 64 1.123 1.341 10.658 533 HG3 LYS 64 3HG LYS 64 -0.026 0.267 11.449 534 HD2 LYS 64 2HD LYS 64 2.925 -0.381 11.033 535 HD3 LYS 64 3HD LYS 64 2.253 0.297 12.516 536 HE2 LYS 64 2HE LYS 64 1.466 -2.377 11.318 537 HE3 LYS 64 3HE LYS 64 2.588 -2.160 12.657 538 HZ1 LYS 64 1HZ LYS 64 0.760 -1.152 13.933 539 HZ2 LYS 64 2HZ LYS 64 0.421 -2.746 13.478 540 HZ3 LYS 64 3HZ LYS 64 -0.303 -1.465 12.653 541 H LEU 65 H LEU 65 0.847 0.508 6.298 542 HA LEU 65 HA LEU 65 0.156 -1.914 4.940 543 HB2 LEU 65 2HB LEU 65 0.777 0.898 3.906 544 HB3 LEU 65 3HB LEU 65 0.264 -0.390 2.847 545 HG LEU 65 HG LEU 65 -1.546 1.235 3.413 546 HD11 LEU 65 1HD1 LEU 65 -2.117 -1.008 2.668 547 HD12 LEU 65 2HD1 LEU 65 -3.300 -0.416 3.828 548 HD13 LEU 65 3HD1 LEU 65 -2.088 -1.598 4.330 549 HD21 LEU 65 1HD2 LEU 65 -2.611 1.194 5.622 550 HD22 LEU 65 2HD2 LEU 65 -0.951 1.750 5.729 551 HD23 LEU 65 3HD2 LEU 65 -1.361 0.109 6.228 552 H LEU 66 H LEU 66 2.923 0.281 4.820 553 HA LEU 66 HA LEU 66 4.538 -1.146 2.971 554 HB2 LEU 66 2HB LEU 66 5.470 0.790 5.139 555 HB3 LEU 66 3HB LEU 66 6.341 0.351 3.673 556 HG LEU 66 HG LEU 66 3.751 1.946 3.779 557 HD11 LEU 66 1HD1 LEU 66 5.112 3.855 3.043 558 HD12 LEU 66 2HD1 LEU 66 6.573 2.869 3.131 559 HD13 LEU 66 3HD1 LEU 66 5.666 3.239 4.599 560 HD21 LEU 66 1HD2 LEU 66 4.087 2.266 1.355 561 HD22 LEU 66 2HD2 LEU 66 3.822 0.577 1.778 562 HD23 LEU 66 3HD2 LEU 66 5.452 1.147 1.402 563 H GLU 67 H GLU 67 4.035 -1.408 6.436 564 HA GLU 67 HA GLU 67 6.343 -3.037 6.974 565 HB2 GLU 67 2HB GLU 67 3.836 -2.757 8.689 566 HB3 GLU 67 3HB GLU 67 5.356 -3.487 9.180 567 HG2 GLU 67 2HG GLU 67 4.689 -0.587 8.789 568 HG3 GLU 67 3HG GLU 67 5.371 -1.384 10.197 569 H ARG 68 H ARG 68 3.034 -3.643 5.921 570 HA ARG 68 HA ARG 68 3.256 -6.524 6.135 571 HB2 ARG 68 2HB ARG 68 1.339 -4.792 4.499 572 HB3 ARG 68 3HB ARG 68 1.227 -6.544 4.640 573 HG2 ARG 68 2HG ARG 68 0.954 -6.224 7.140 574 HG3 ARG 68 3HG ARG 68 0.839 -4.497 6.842 575 HD2 ARG 68 2HD ARG 68 -1.158 -4.779 5.538 576 HD3 ARG 68 3HD ARG 68 -0.961 -6.530 5.507 577 HE ARG 68 HE ARG 68 -1.381 -5.259 8.103 578 HH11 ARG 68 1HH1 ARG 68 -2.729 -7.139 5.426 579 HH12 ARG 68 2HH1 ARG 68 -4.104 -7.673 6.340 580 HH21 ARG 68 1HH2 ARG 68 -3.209 -5.976 9.287 581 HH22 ARG 68 2HH2 ARG 68 -4.372 -7.014 8.527 582 H ILE 69 H ILE 69 3.434 -4.213 3.396 583 HA ILE 69 HA ILE 69 3.876 -6.005 1.303 584 HB ILE 69 HB ILE 69 4.849 -3.105 1.534 585 HG12 ILE 69 2HG1 ILE 69 2.312 -4.167 0.182 586 HG13 ILE 69 3HG1 ILE 69 2.352 -3.429 1.779 587 HG21 ILE 69 1HG2 ILE 69 4.941 -3.078 -0.949 588 HG22 ILE 69 2HG2 ILE 69 4.546 -4.798 -0.985 589 HG23 ILE 69 3HG2 ILE 69 6.067 -4.257 -0.273 590 HD11 ILE 69 1HD1 ILE 69 1.579 -1.847 0.132 591 HD12 ILE 69 2HD1 ILE 69 3.045 -2.070 -0.822 592 HD13 ILE 69 3HD1 ILE 69 3.137 -1.329 0.778 593 H ARG 70 H ARG 70 6.178 -4.338 3.448 594 HA ARG 70 HA ARG 70 8.559 -4.992 2.155 595 HB2 ARG 70 2HB ARG 70 9.751 -4.473 4.178 596 HB3 ARG 70 3HB ARG 70 8.438 -3.325 3.985 597 HG2 ARG 70 2HG ARG 70 7.183 -4.320 5.746 598 HG3 ARG 70 3HG ARG 70 8.227 -5.739 5.794 599 HD2 ARG 70 2HD ARG 70 9.075 -2.918 6.538 600 HD3 ARG 70 3HD ARG 70 8.663 -4.205 7.679 601 HE ARG 70 HE ARG 70 10.562 -5.476 6.804 602 HH11 ARG 70 1HH1 ARG 70 10.568 -2.012 6.158 603 HH12 ARG 70 2HH1 ARG 70 12.290 -1.939 5.944 604 HH21 ARG 70 1HH2 ARG 70 12.773 -5.392 6.485 605 HH22 ARG 70 2HH2 ARG 70 13.548 -3.881 6.132 606 H GLU 71 H GLU 71 6.736 -6.811 4.595 607 HA GLU 71 HA GLU 71 8.568 -8.870 5.143 608 HB2 GLU 71 2HB GLU 71 5.516 -9.075 5.099 609 HB3 GLU 71 3HB GLU 71 6.616 -10.192 5.909 610 HG2 GLU 71 2HG GLU 71 7.316 -8.403 7.439 611 HG3 GLU 71 3HG GLU 71 6.237 -7.276 6.623 612 H LYS 72 H LYS 72 6.219 -8.408 2.581 613 HA LYS 72 HA LYS 72 6.189 -11.148 1.710 614 HB2 LYS 72 2HB LYS 72 5.226 -8.763 0.080 615 HB3 LYS 72 3HB LYS 72 4.653 -10.425 0.012 616 HG2 LYS 72 2HG LYS 72 4.209 -8.474 2.281 617 HG3 LYS 72 3HG LYS 72 3.020 -8.914 1.064 618 HD2 LYS 72 2HD LYS 72 3.029 -11.252 1.926 619 HD3 LYS 72 3HD LYS 72 4.203 -10.775 3.161 620 HE2 LYS 72 2HE LYS 72 2.573 -9.165 4.098 621 HE3 LYS 72 3HE LYS 72 1.396 -9.634 2.864 622 HZ1 LYS 72 1HZ LYS 72 1.023 -10.733 5.011 623 HZ2 LYS 72 2HZ LYS 72 2.531 -11.481 4.903 624 HZ3 LYS 72 3HZ LYS 72 1.326 -11.846 3.782 625 H ILE 73 H ILE 73 7.634 -8.090 0.561 626 HA ILE 73 HA ILE 73 8.810 -9.251 -1.785 627 HB ILE 73 HB ILE 73 9.873 -7.094 -2.201 628 HG12 ILE 73 2HG1 ILE 73 8.915 -6.227 0.571 629 HG13 ILE 73 3HG1 ILE 73 10.585 -6.545 0.128 630 HG21 ILE 73 1HG2 ILE 73 7.030 -6.689 -1.185 631 HG22 ILE 73 2HG2 ILE 73 7.482 -7.295 -2.779 632 HG23 ILE 73 3HG2 ILE 73 7.880 -5.639 -2.323 633 HD11 ILE 73 1HD1 ILE 73 8.860 -4.327 -0.977 634 HD12 ILE 73 2HD1 ILE 73 10.541 -4.645 -1.415 635 HD13 ILE 73 3HD1 ILE 73 10.134 -4.167 0.233 636 H GLU 74 H GLU 74 9.901 -8.790 1.531 637 HA GLU 74 HA GLU 74 12.718 -9.199 0.866 638 HB2 GLU 74 2HB GLU 74 13.242 -8.722 3.136 639 HB3 GLU 74 3HB GLU 74 11.935 -7.623 2.724 640 HG2 GLU 74 2HG GLU 74 10.338 -9.168 3.891 641 HG3 GLU 74 3HG GLU 74 11.717 -10.155 4.372 642 H ARG 75 H ARG 75 10.011 -11.136 2.009 643 HA ARG 75 HA ARG 75 11.744 -13.360 2.789 644 HB2 ARG 75 2HB ARG 75 9.863 -14.444 3.675 645 HB3 ARG 75 3HB ARG 75 9.478 -12.747 3.928 646 HG2 ARG 75 2HG ARG 75 8.001 -12.774 1.958 647 HG3 ARG 75 3HG ARG 75 8.425 -14.454 1.653 648 HD2 ARG 75 2HD ARG 75 7.461 -14.909 4.033 649 HD3 ARG 75 3HD ARG 75 6.727 -13.306 3.863 650 HE ARG 75 HE ARG 75 6.267 -15.020 1.610 651 HH11 ARG 75 1HH1 ARG 75 5.056 -14.117 4.793 652 HH12 ARG 75 2HH1 ARG 75 3.447 -14.681 4.470 653 HH21 ARG 75 1HH2 ARG 75 4.221 -15.834 1.226 654 HH22 ARG 75 2HH2 ARG 75 2.972 -15.667 2.419 655 H GLU 76 H GLU 76 9.648 -12.484 0.084 656 HA GLU 76 HA GLU 76 9.916 -15.047 -1.260 657 HB2 GLU 76 2HB GLU 76 8.672 -12.431 -2.221 658 HB3 GLU 76 3HB GLU 76 8.602 -13.959 -3.091 659 HG2 GLU 76 2HG GLU 76 7.360 -13.417 -0.372 660 HG3 GLU 76 3HG GLU 76 6.493 -13.438 -1.903 661 H GLY 77 H GLY 77 10.926 -11.676 -1.823 662 HA2 GLY 77 2HA GLY 77 12.568 -10.715 -3.093 663 HA3 GLY 77 3HA GLY 77 13.452 -12.227 -2.950 664 H SER 78 H SER 78 10.257 -11.963 -4.363 665 HA SER 78 HA SER 78 11.096 -13.307 -6.773 666 HB2 SER 78 2HB SER 78 8.940 -13.861 -5.651 667 HB3 SER 78 3HB SER 78 8.347 -12.233 -5.977 668 HG SER 78 HG SER 78 9.032 -14.229 -7.890 669 H SER 79 H SER 79 10.719 -12.557 -8.917 670 HA SER 79 HA SER 79 11.285 -9.827 -9.498 671 HB2 SER 79 2HB SER 79 10.791 -10.568 -11.889 672 HB3 SER 79 3HB SER 79 12.013 -11.529 -11.055 673 HG SER 79 HG SER 79 10.734 -13.220 -11.110 674 H GLU 80 H GLU 80 8.301 -11.799 -9.454 675 HA GLU 80 HA GLU 80 6.628 -9.566 -10.289 676 HB2 GLU 80 2HB GLU 80 6.019 -11.889 -10.940 677 HB3 GLU 80 3HB GLU 80 5.776 -12.305 -9.244 678 HG2 GLU 80 2HG GLU 80 3.974 -10.547 -9.123 679 HG3 GLU 80 3HG GLU 80 4.197 -10.251 -10.845 680 H VAL 81 H VAL 81 6.836 -7.985 -8.779 681 HA VAL 81 HA VAL 81 5.416 -8.479 -6.226 682 HB VAL 81 HB VAL 81 6.691 -6.602 -5.198 683 HG11 VAL 81 1HG1 VAL 81 8.513 -8.805 -6.253 684 HG12 VAL 81 2HG1 VAL 81 7.483 -8.887 -4.823 685 HG13 VAL 81 3HG1 VAL 81 8.840 -7.766 -4.858 686 HG21 VAL 81 1HG2 VAL 81 7.291 -5.317 -7.209 687 HG22 VAL 81 2HG2 VAL 81 8.395 -6.594 -7.733 688 HG23 VAL 81 3HG2 VAL 81 8.736 -5.679 -6.260 689 H GLU 82 H GLU 82 3.487 -7.445 -6.207 690 HA GLU 82 HA GLU 82 3.085 -4.981 -7.824 691 HB2 GLU 82 2HB GLU 82 2.357 -6.967 -9.142 692 HB3 GLU 82 3HB GLU 82 1.273 -7.440 -7.841 693 HG2 GLU 82 2HG GLU 82 -0.006 -5.307 -8.193 694 HG3 GLU 82 3HG GLU 82 1.052 -4.940 -9.556 695 H VAL 83 H VAL 83 1.898 -3.474 -6.847 696 HA VAL 83 HA VAL 83 0.240 -4.137 -4.470 697 HB VAL 83 HB VAL 83 1.741 -1.506 -4.982 698 HG11 VAL 83 1HG1 VAL 83 0.152 -2.413 -2.543 699 HG12 VAL 83 2HG1 VAL 83 -0.315 -1.164 -3.699 700 HG13 VAL 83 3HG1 VAL 83 1.091 -0.922 -2.665 701 HG21 VAL 83 1HG2 VAL 83 2.437 -3.722 -3.002 702 HG22 VAL 83 2HG2 VAL 83 3.250 -2.158 -3.134 703 HG23 VAL 83 3HG2 VAL 83 3.334 -3.307 -4.467 704 H ASN 84 H ASN 84 -1.889 -3.877 -4.938 705 HA ASN 84 HA ASN 84 -2.782 -1.913 -6.969 706 HB2 ASN 84 2HB ASN 84 -4.202 -4.373 -5.854 707 HB3 ASN 84 3HB ASN 84 -4.885 -3.269 -7.046 708 HD21 ASN 84 1HD2 ASN 84 -2.425 -2.939 -8.585 709 HD22 ASN 84 2HD2 ASN 84 -2.156 -4.445 -9.388 710 H VAL 85 H VAL 85 -3.386 -0.049 -6.043 711 HA VAL 85 HA VAL 85 -4.703 -0.033 -3.381 712 HB VAL 85 HB VAL 85 -3.342 2.300 -4.838 713 HG11 VAL 85 1HG1 VAL 85 -3.501 3.478 -2.675 714 HG12 VAL 85 2HG1 VAL 85 -4.361 2.104 -1.971 715 HG13 VAL 85 3HG1 VAL 85 -5.098 3.034 -3.279 716 HG21 VAL 85 1HG2 VAL 85 -1.682 0.581 -4.218 717 HG22 VAL 85 2HG2 VAL 85 -2.248 0.607 -2.545 718 HG23 VAL 85 3HG2 VAL 85 -1.477 2.036 -3.242 719 H HIS 86 H HIS 86 -6.754 0.785 -3.190 720 HA HIS 86 HA HIS 86 -8.142 1.934 -5.544 721 HB2 HIS 86 2HB HIS 86 -9.331 -0.240 -3.736 722 HB3 HIS 86 3HB HIS 86 -10.068 0.463 -5.175 723 HD1 HIS 86 HD1 HIS 86 -9.312 -0.472 -7.452 724 HD2 HIS 86 HD2 HIS 86 -7.344 -2.199 -4.230 725 HE1 HIS 86 HE1 HIS 86 -8.157 -2.492 -8.370 726 HE2 HIS 86 HE2 HIS 86 -7.166 -3.632 -6.373 727 H SER 87 H SER 87 -8.862 3.900 -4.839 728 HA SER 87 HA SER 87 -10.173 4.240 -2.287 729 HB2 SER 87 2HB SER 87 -7.761 4.265 -1.634 730 HB3 SER 87 3HB SER 87 -7.476 5.597 -2.752 731 HG SER 87 HG SER 87 -8.941 5.562 -0.348 732 H GLY 88 H GLY 88 -11.718 5.709 -2.559 733 HA2 GLY 88 2HA GLY 88 -12.911 7.542 -3.233 734 HA3 GLY 88 3HA GLY 88 -11.394 8.275 -3.716 735 H GLY 89 H GLY 89 -12.652 5.254 -5.022 736 HA2 GLY 89 2HA GLY 89 -13.605 4.681 -7.053 737 HA3 GLY 89 3HA GLY 89 -13.773 6.387 -7.453 738 H GLN 90 H GLN 90 -10.629 5.586 -6.486 739 HA GLN 90 HA GLN 90 -9.656 5.600 -9.291 740 HB2 GLN 90 2HB GLN 90 -8.337 6.664 -6.748 741 HB3 GLN 90 3HB GLN 90 -7.595 6.681 -8.346 742 HG2 GLN 90 2HG GLN 90 -9.194 8.287 -9.158 743 HG3 GLN 90 3HG GLN 90 -10.180 8.127 -7.705 744 HE21 GLN 90 1HE2 GLN 90 -8.038 8.204 -5.781 745 HE22 GLN 90 2HE2 GLN 90 -7.392 9.811 -5.779 746 H THR 91 H THR 91 -7.952 4.195 -9.850 747 HA THR 91 HA THR 91 -7.122 2.127 -7.891 748 HB THR 91 HB THR 91 -8.182 1.688 -10.725 749 HG1 THR 91 HG1 THR 91 -9.673 1.844 -8.901 750 HG21 THR 91 1HG2 THR 91 -6.881 -0.360 -8.887 751 HG22 THR 91 2HG2 THR 91 -6.234 0.214 -10.425 752 HG23 THR 91 3HG2 THR 91 -7.725 -0.727 -10.393 753 H TRP 92 H TRP 92 -4.985 1.727 -7.901 754 HA TRP 92 HA TRP 92 -3.273 2.526 -10.185 755 HB2 TRP 92 2HB TRP 92 -2.589 2.782 -7.217 756 HB3 TRP 92 3HB TRP 92 -1.492 3.123 -8.553 757 HD1 TRP 92 HD1 TRP 92 -1.948 5.408 -9.965 758 HE1 TRP 92 HE1 TRP 92 -3.187 7.562 -9.316 759 HE3 TRP 92 HE3 TRP 92 -4.550 3.669 -5.915 760 HZ2 TRP 92 HZ2 TRP 92 -5.007 8.422 -7.349 761 HZ3 TRP 92 HZ3 TRP 92 -6.014 5.227 -4.697 762 HH2 TRP 92 HH2 TRP 92 -6.235 7.554 -5.405 763 H THR 93 H THR 93 -1.473 1.219 -10.563 764 HA THR 93 HA THR 93 -1.140 -1.251 -8.967 765 HB THR 93 HB THR 93 -1.197 -1.104 -12.025 766 HG1 THR 93 HG1 THR 93 -3.265 -1.068 -10.957 767 HG21 THR 93 1HG2 THR 93 -0.788 -3.530 -10.222 768 HG22 THR 93 2HG2 THR 93 0.435 -2.794 -11.256 769 HG23 THR 93 3HG2 THR 93 -0.972 -3.565 -11.978 770 H PHE 94 H PHE 94 0.773 -0.779 -8.019 771 HA PHE 94 HA PHE 94 3.034 0.258 -9.596 772 HB2 PHE 94 2HB PHE 94 2.608 0.017 -6.581 773 HB3 PHE 94 3HB PHE 94 4.133 0.511 -7.312 774 HD1 PHE 94 HD1 PHE 94 0.592 1.508 -6.774 775 HD2 PHE 94 HD2 PHE 94 4.423 2.746 -8.222 776 HE1 PHE 94 HE1 PHE 94 -0.177 3.839 -6.854 777 HE2 PHE 94 HE2 PHE 94 3.634 5.077 -8.303 778 HZ PHE 94 HZ PHE 94 1.329 5.626 -7.618 779 H ASN 95 H ASN 95 4.143 -1.291 -10.570 780 HA ASN 95 HA ASN 95 5.140 -3.623 -9.086 781 HB2 ASN 95 2HB ASN 95 4.600 -5.159 -10.954 782 HB3 ASN 95 3HB ASN 95 3.125 -4.446 -10.301 783 HD21 ASN 95 1HD2 ASN 95 2.146 -2.700 -11.507 784 HD22 ASN 95 2HD2 ASN 95 2.343 -2.606 -13.217 785 H GLU 96 H GLU 96 7.173 -4.382 -9.937 786 HA GLU 96 HA GLU 96 8.593 -2.303 -11.462 787 HB2 GLU 96 2HB GLU 96 9.675 -4.586 -9.767 788 HB3 GLU 96 3HB GLU 96 10.659 -3.364 -10.576 789 HG2 GLU 96 2HG GLU 96 8.728 -2.976 -8.272 790 HG3 GLU 96 3HG GLU 96 10.471 -2.700 -8.284 791 H LYS 97 H LYS 97 9.167 -2.569 -13.478 792 HA LYS 97 HA LYS 97 8.701 -5.117 -14.862 793 HB2 LYS 97 2HB LYS 97 9.129 -2.276 -15.927 794 HB3 LYS 97 3HB LYS 97 8.984 -3.687 -16.960 795 HG2 LYS 97 2HG LYS 97 6.867 -2.588 -16.986 796 HG3 LYS 97 3HG LYS 97 6.667 -4.058 -16.037 797 HD2 LYS 97 2HD LYS 97 5.467 -2.211 -14.987 798 HD3 LYS 97 3HD LYS 97 6.804 -2.713 -13.950 799 HE2 LYS 97 2HE LYS 97 8.153 -0.797 -14.837 800 HE3 LYS 97 3HE LYS 97 6.745 -0.282 -15.772 801 HZ1 LYS 97 1HZ LYS 97 6.878 -0.493 -12.808 802 HZ2 LYS 97 2HZ LYS 97 5.527 -0.009 -13.695 803 HZ3 LYS 97 3HZ LYS 97 6.917 0.945 -13.699 Start of MODEL 15 1 H1 MET 1 1H MET 1 16.285 -30.749 2.264 2 H2 MET 1 2H MET 1 17.221 -31.001 3.645 3 H3 MET 1 3H MET 1 17.821 -30.060 2.378 4 HA MET 1 HA MET 1 16.182 -28.395 2.726 5 HB2 MET 1 2HB MET 1 15.239 -30.177 5.018 6 HB3 MET 1 3HB MET 1 14.715 -28.517 4.774 7 HG2 MET 1 2HG MET 1 13.916 -29.317 2.451 8 HG3 MET 1 3HG MET 1 14.087 -30.943 3.114 9 HE1 MET 1 1HE MET 1 12.164 -27.555 3.217 10 HE2 MET 1 2HE MET 1 12.908 -27.547 4.819 11 HE3 MET 1 3HE MET 1 11.160 -27.723 4.656 12 H GLY 2 H GLY 2 15.992 -27.212 5.202 13 HA2 GLY 2 2HA GLY 2 17.165 -26.272 6.946 14 HA3 GLY 2 3HA GLY 2 18.533 -27.332 6.616 15 H HIS 3 H HIS 3 20.040 -26.742 5.022 16 HA HIS 3 HA HIS 3 20.212 -23.897 4.424 17 HB2 HIS 3 2HB HIS 3 22.127 -26.222 3.953 18 HB3 HIS 3 3HB HIS 3 22.444 -24.596 3.359 19 HD1 HIS 3 HD1 HIS 3 23.345 -26.654 6.082 20 HD2 HIS 3 HD2 HIS 3 22.255 -22.659 5.718 21 HE1 HIS 3 HE1 HIS 3 24.231 -25.516 8.140 22 HE2 HIS 3 HE2 HIS 3 23.402 -23.153 7.973 23 H HIS 4 H HIS 4 18.375 -23.767 3.068 24 HA HIS 4 HA HIS 4 18.912 -24.420 0.231 25 HB2 HIS 4 2HB HIS 4 17.243 -26.071 0.914 26 HB3 HIS 4 3HB HIS 4 16.263 -24.838 1.700 27 HD1 HIS 4 HD1 HIS 4 14.820 -23.297 0.145 28 HD2 HIS 4 HD2 HIS 4 16.882 -26.292 -1.874 29 HE1 HIS 4 HE1 HIS 4 13.851 -23.344 -2.165 30 HE2 HIS 4 HE2 HIS 4 15.094 -25.166 -3.362 31 H HIS 5 H HIS 5 18.933 -22.590 -0.881 32 HA HIS 5 HA HIS 5 18.696 -20.462 -1.605 33 HB2 HIS 5 2HB HIS 5 16.289 -21.396 -1.825 34 HB3 HIS 5 3HB HIS 5 15.903 -20.503 -0.360 35 HD1 HIS 5 HD1 HIS 5 16.671 -20.046 -4.001 36 HD2 HIS 5 HD2 HIS 5 15.612 -17.702 -0.746 37 HE1 HIS 5 HE1 HIS 5 16.082 -17.810 -4.949 38 HE2 HIS 5 HE2 HIS 5 15.201 -16.507 -2.991 39 H HIS 6 H HIS 6 19.994 -20.806 0.842 40 HA HIS 6 HA HIS 6 19.104 -19.028 2.878 41 HB2 HIS 6 2HB HIS 6 21.489 -19.328 3.795 42 HB3 HIS 6 3HB HIS 6 20.496 -20.771 3.671 43 HD1 HIS 6 HD1 HIS 6 23.236 -19.057 1.618 44 HD2 HIS 6 HD2 HIS 6 21.792 -22.844 2.508 45 HE1 HIS 6 HE1 HIS 6 24.791 -20.655 0.472 46 HE2 HIS 6 HE2 HIS 6 23.844 -22.934 0.952 47 H HIS 7 H HIS 7 18.735 -16.972 2.043 48 HA HIS 7 HA HIS 7 20.684 -15.328 0.808 49 HB2 HIS 7 2HB HIS 7 18.411 -14.485 0.870 50 HB3 HIS 7 3HB HIS 7 18.323 -14.646 2.624 51 HD1 HIS 7 HD1 HIS 7 20.167 -12.568 0.018 52 HD2 HIS 7 HD2 HIS 7 19.027 -12.360 4.004 53 HE1 HIS 7 HE1 HIS 7 20.912 -10.310 0.817 54 HE2 HIS 7 HE2 HIS 7 20.111 -10.176 3.191 55 H HIS 8 H HIS 8 22.662 -15.495 1.655 56 HA HIS 8 HA HIS 8 23.153 -14.815 4.487 57 HB2 HIS 8 2HB HIS 8 23.291 -17.295 4.159 58 HB3 HIS 8 3HB HIS 8 24.532 -17.059 2.932 59 HD1 HIS 8 HD1 HIS 8 26.913 -16.349 3.770 60 HD2 HIS 8 HD2 HIS 8 24.188 -17.059 6.828 61 HE1 HIS 8 HE1 HIS 8 28.283 -16.559 5.863 62 HE2 HIS 8 HE2 HIS 8 26.616 -16.902 7.702 63 H GLU 9 H GLU 9 23.353 -12.768 3.386 64 HA GLU 9 HA GLU 9 24.573 -10.921 3.037 65 HB2 GLU 9 2HB GLU 9 27.050 -12.572 3.660 66 HB3 GLU 9 3HB GLU 9 26.841 -10.839 3.879 67 HG2 GLU 9 2HG GLU 9 25.178 -11.259 5.656 68 HG3 GLU 9 3HG GLU 9 25.368 -12.995 5.430 69 H ASN 10 H ASN 10 26.956 -13.285 1.821 70 HA ASN 10 HA ASN 10 27.714 -12.015 -0.529 71 HB2 ASN 10 2HB ASN 10 27.657 -15.010 0.062 72 HB3 ASN 10 3HB ASN 10 28.544 -14.270 -1.270 73 HD21 ASN 10 1HD2 ASN 10 29.554 -15.870 0.919 74 HD22 ASN 10 2HD2 ASN 10 30.718 -14.897 1.743 75 H LEU 11 H LEU 11 25.048 -14.347 -0.045 76 HA LEU 11 HA LEU 11 24.182 -14.145 -2.812 77 HB2 LEU 11 2HB LEU 11 23.761 -16.227 -1.487 78 HB3 LEU 11 3HB LEU 11 22.698 -15.329 -0.414 79 HG LEU 11 HG LEU 11 21.106 -14.934 -2.291 80 HD11 LEU 11 1HD1 LEU 11 21.381 -16.060 -4.463 81 HD12 LEU 11 2HD1 LEU 11 23.004 -16.571 -3.993 82 HD13 LEU 11 3HD1 LEU 11 22.634 -14.854 -4.172 83 HD21 LEU 11 1HD2 LEU 11 20.773 -16.928 -0.902 84 HD22 LEU 11 2HD2 LEU 11 21.813 -17.872 -1.971 85 HD23 LEU 11 3HD2 LEU 11 20.276 -17.239 -2.566 86 H TYR 12 H TYR 12 23.970 -11.930 -3.075 87 HA TYR 12 HA TYR 12 21.504 -10.727 -1.924 88 HB2 TYR 12 2HB TYR 12 22.528 -8.525 -2.033 89 HB3 TYR 12 3HB TYR 12 23.600 -9.577 -1.124 90 HD1 TYR 12 HD1 TYR 12 25.716 -10.462 -2.291 91 HD2 TYR 12 HD2 TYR 12 23.334 -7.337 -3.973 92 HE1 TYR 12 HE1 TYR 12 27.595 -9.791 -3.733 93 HE2 TYR 12 HE2 TYR 12 25.207 -6.678 -5.409 94 HH TYR 12 HH TYR 12 27.976 -8.612 -5.845 95 H PHE 13 H PHE 13 21.971 -12.459 -4.297 96 HA PHE 13 HA PHE 13 22.028 -11.314 -6.773 97 HB2 PHE 13 2HB PHE 13 21.867 -13.741 -6.510 98 HB3 PHE 13 3HB PHE 13 20.241 -13.609 -5.852 99 HD1 PHE 13 HD1 PHE 13 22.171 -12.696 -8.960 100 HD2 PHE 13 HD2 PHE 13 18.423 -13.993 -7.338 101 HE1 PHE 13 HE1 PHE 13 21.240 -12.872 -11.231 102 HE2 PHE 13 HE2 PHE 13 17.503 -14.162 -9.616 103 HZ PHE 13 HZ PHE 13 18.908 -13.600 -11.561 104 H GLN 14 H GLN 14 19.101 -11.736 -4.791 105 HA GLN 14 HA GLN 14 17.708 -9.694 -6.370 106 HB2 GLN 14 2HB GLN 14 16.617 -11.959 -5.638 107 HB3 GLN 14 3HB GLN 14 16.507 -11.228 -4.038 108 HG2 GLN 14 2HG GLN 14 14.407 -10.936 -5.212 109 HG3 GLN 14 3HG GLN 14 15.170 -9.363 -4.998 110 HE21 GLN 14 1HE2 GLN 14 15.905 -8.250 -6.848 111 HE22 GLN 14 2HE2 GLN 14 15.485 -8.741 -8.450 112 H SER 15 H SER 15 18.928 -7.954 -5.748 113 HA SER 15 HA SER 15 19.658 -7.216 -3.131 114 HB2 SER 15 2HB SER 15 19.358 -5.474 -5.618 115 HB3 SER 15 3HB SER 15 20.243 -5.033 -4.152 116 HG SER 15 HG SER 15 21.356 -7.214 -4.699 117 H HIS 16 H HIS 16 17.952 -7.209 -1.710 118 HA HIS 16 HA HIS 16 15.520 -5.689 -2.153 119 HB2 HIS 16 2HB HIS 16 16.583 -7.162 0.292 120 HB3 HIS 16 3HB HIS 16 15.062 -6.273 0.300 121 HD1 HIS 16 HD1 HIS 16 15.355 -9.368 0.771 122 HD2 HIS 16 HD2 HIS 16 14.191 -7.553 -2.777 123 HE1 HIS 16 HE1 HIS 16 13.991 -11.078 -0.446 124 HE2 HIS 16 HE2 HIS 16 13.079 -9.842 -2.422 125 H MET 17 H MET 17 16.607 -3.732 -2.675 126 HA MET 17 HA MET 17 18.008 -2.140 -0.763 127 HB2 MET 17 2HB MET 17 16.413 -1.300 -3.236 128 HB3 MET 17 3HB MET 17 17.557 -0.281 -2.366 129 HG2 MET 17 2HG MET 17 19.367 -1.895 -2.924 130 HG3 MET 17 3HG MET 17 18.208 -2.823 -3.877 131 HE1 MET 17 1HE MET 17 20.574 -1.117 -6.535 132 HE2 MET 17 2HE MET 17 19.944 -2.653 -5.942 133 HE3 MET 17 3HE MET 17 21.029 -1.694 -4.932 134 H THR 18 H THR 18 14.635 -2.020 -1.958 135 HA THR 18 HA THR 18 12.671 -2.152 -0.928 136 HB THR 18 HB THR 18 14.121 -2.519 1.719 137 HG1 THR 18 HG1 THR 18 14.632 -4.458 1.056 138 HG21 THR 18 1HG2 THR 18 11.368 -3.439 0.810 139 HG22 THR 18 2HG2 THR 18 11.690 -2.136 1.956 140 HG23 THR 18 3HG2 THR 18 12.117 -3.797 2.369 141 H ASP 19 H ASP 19 14.575 -0.431 1.532 142 HA ASP 19 HA ASP 19 12.763 1.236 2.658 143 HB2 ASP 19 2HB ASP 19 15.055 0.878 3.468 144 HB3 ASP 19 3HB ASP 19 15.715 1.738 2.084 145 H GLU 20 H GLU 20 14.549 1.877 -0.347 146 HA GLU 20 HA GLU 20 13.588 4.603 -0.571 147 HB2 GLU 20 2HB GLU 20 14.763 4.380 -2.951 148 HB3 GLU 20 3HB GLU 20 15.702 4.565 -1.479 149 HG2 GLU 20 2HG GLU 20 16.730 2.934 -2.946 150 HG3 GLU 20 3HG GLU 20 16.187 2.170 -1.455 151 H LEU 21 H LEU 21 12.682 1.481 -2.036 152 HA LEU 21 HA LEU 21 11.000 2.701 -4.055 153 HB2 LEU 21 2HB LEU 21 10.445 0.416 -4.749 154 HB3 LEU 21 3HB LEU 21 12.168 0.678 -4.627 155 HG LEU 21 HG LEU 21 11.967 -0.549 -2.311 156 HD11 LEU 21 1HD1 LEU 21 10.194 -2.257 -2.170 157 HD12 LEU 21 2HD1 LEU 21 9.413 -1.565 -3.594 158 HD13 LEU 21 3HD1 LEU 21 9.537 -0.621 -2.109 159 HD21 LEU 21 1HD2 LEU 21 11.699 -2.102 -4.907 160 HD22 LEU 21 2HD2 LEU 21 12.320 -2.736 -3.379 161 HD23 LEU 21 3HD2 LEU 21 13.195 -1.459 -4.220 162 H LEU 22 H LEU 22 10.599 1.703 -0.818 163 HA LEU 22 HA LEU 22 7.794 1.383 -0.697 164 HB2 LEU 22 2HB LEU 22 9.797 2.294 1.405 165 HB3 LEU 22 3HB LEU 22 8.100 2.009 1.756 166 HG LEU 22 HG LEU 22 10.044 -0.109 0.766 167 HD11 LEU 22 1HD1 LEU 22 8.898 0.309 3.543 168 HD12 LEU 22 2HD1 LEU 22 10.566 0.607 3.046 169 HD13 LEU 22 3HD1 LEU 22 9.925 -1.034 3.027 170 HD21 LEU 22 1HD2 LEU 22 7.764 -0.587 0.011 171 HD22 LEU 22 2HD2 LEU 22 7.150 -0.396 1.656 172 HD23 LEU 22 3HD2 LEU 22 8.249 -1.723 1.271 173 H GLU 23 H GLU 23 9.843 4.224 -0.876 174 HA GLU 23 HA GLU 23 8.148 6.239 0.048 175 HB2 GLU 23 2HB GLU 23 10.558 6.573 -0.543 176 HB3 GLU 23 3HB GLU 23 10.147 6.433 -2.249 177 HG2 GLU 23 2HG GLU 23 10.346 8.761 -1.846 178 HG3 GLU 23 3HG GLU 23 8.617 8.464 -1.906 179 H ARG 24 H ARG 24 8.401 4.752 -3.145 180 HA ARG 24 HA ARG 24 6.681 6.298 -4.700 181 HB2 ARG 24 2HB ARG 24 7.244 3.306 -4.773 182 HB3 ARG 24 3HB ARG 24 6.400 4.163 -6.058 183 HG2 ARG 24 2HG ARG 24 8.329 5.286 -6.777 184 HG3 ARG 24 3HG ARG 24 9.152 5.101 -5.227 185 HD2 ARG 24 2HD ARG 24 10.130 3.700 -7.041 186 HD3 ARG 24 3HD ARG 24 9.572 2.758 -5.659 187 HE ARG 24 HE ARG 24 7.831 3.019 -8.026 188 HH11 ARG 24 1HH1 ARG 24 9.828 0.959 -5.994 189 HH12 ARG 24 2HH1 ARG 24 9.261 -0.519 -6.692 190 HH21 ARG 24 1HH2 ARG 24 7.121 1.050 -8.980 191 HH22 ARG 24 2HH2 ARG 24 7.724 -0.464 -8.387 192 H LEU 25 H LEU 25 5.934 3.881 -2.279 193 HA LEU 25 HA LEU 25 3.072 3.812 -2.850 194 HB2 LEU 25 2HB LEU 25 4.688 2.534 -0.595 195 HB3 LEU 25 3HB LEU 25 3.004 2.193 -0.971 196 HG LEU 25 HG LEU 25 5.377 1.563 -2.774 197 HD11 LEU 25 1HD1 LEU 25 3.637 -0.314 -1.148 198 HD12 LEU 25 2HD1 LEU 25 5.326 0.088 -0.836 199 HD13 LEU 25 3HD1 LEU 25 4.891 -0.803 -2.292 200 HD21 LEU 25 1HD2 LEU 25 3.755 0.356 -4.196 201 HD22 LEU 25 2HD2 LEU 25 3.430 2.085 -4.132 202 HD23 LEU 25 3HD2 LEU 25 2.431 0.966 -3.200 203 H ARG 26 H ARG 26 5.314 5.130 -0.409 204 HA ARG 26 HA ARG 26 3.470 5.799 1.602 205 HB2 ARG 26 2HB ARG 26 6.007 5.692 1.838 206 HB3 ARG 26 3HB ARG 26 6.095 7.266 1.089 207 HG2 ARG 26 2HG ARG 26 5.073 8.337 2.933 208 HG3 ARG 26 3HG ARG 26 4.410 6.828 3.568 209 HD2 ARG 26 2HD ARG 26 6.345 7.729 4.888 210 HD3 ARG 26 3HD ARG 26 6.588 6.085 4.284 211 HE ARG 26 HE ARG 26 7.648 8.243 2.638 212 HH11 ARG 26 1HH1 ARG 26 8.384 5.833 5.095 213 HH12 ARG 26 2HH1 ARG 26 10.088 5.855 4.781 214 HH21 ARG 26 1HH2 ARG 26 9.875 8.231 2.205 215 HH22 ARG 26 2HH2 ARG 26 10.935 7.220 3.139 216 H GLN 27 H GLN 27 4.872 7.758 -1.007 217 HA GLN 27 HA GLN 27 3.823 10.256 -0.447 218 HB2 GLN 27 2HB GLN 27 4.222 9.028 -3.213 219 HB3 GLN 27 3HB GLN 27 4.065 10.746 -2.875 220 HG2 GLN 27 2HG GLN 27 6.344 8.966 -1.962 221 HG3 GLN 27 3HG GLN 27 6.400 10.099 -3.300 222 HE21 GLN 27 1HE2 GLN 27 6.380 9.761 0.149 223 HE22 GLN 27 2HE2 GLN 27 6.851 11.378 0.511 224 H LEU 28 H LEU 28 2.390 7.582 -2.290 225 HA LEU 28 HA LEU 28 0.025 8.866 -3.122 226 HB2 LEU 28 2HB LEU 28 0.887 6.831 -4.195 227 HB3 LEU 28 3HB LEU 28 0.625 5.913 -2.718 228 HG LEU 28 HG LEU 28 -1.839 6.248 -2.952 229 HD11 LEU 28 1HD1 LEU 28 -1.179 7.603 -5.580 230 HD12 LEU 28 2HD1 LEU 28 -1.866 8.370 -4.146 231 HD13 LEU 28 3HD1 LEU 28 -2.793 7.153 -5.018 232 HD21 LEU 28 1HD2 LEU 28 -2.190 4.716 -4.805 233 HD22 LEU 28 2HD2 LEU 28 -0.784 4.229 -3.865 234 HD23 LEU 28 3HD2 LEU 28 -0.569 5.038 -5.420 235 H PHE 29 H PHE 29 0.667 6.688 -0.342 236 HA PHE 29 HA PHE 29 -1.937 6.615 0.715 237 HB2 PHE 29 2HB PHE 29 0.766 6.253 2.057 238 HB3 PHE 29 3HB PHE 29 -0.746 6.026 2.920 239 HD1 PHE 29 HD1 PHE 29 -2.475 4.410 1.541 240 HD2 PHE 29 HD2 PHE 29 1.790 4.284 1.312 241 HE1 PHE 29 HE1 PHE 29 -2.566 2.065 0.826 242 HE2 PHE 29 HE2 PHE 29 1.683 1.932 0.608 243 HZ PHE 29 HZ PHE 29 -0.499 0.819 0.367 244 H GLU 30 H GLU 30 0.635 8.987 1.107 245 HA GLU 30 HA GLU 30 -0.614 10.537 3.183 246 HB2 GLU 30 2HB GLU 30 1.588 11.284 1.215 247 HB3 GLU 30 3HB GLU 30 1.108 12.258 2.600 248 HG2 GLU 30 2HG GLU 30 1.863 10.530 4.150 249 HG3 GLU 30 3HG GLU 30 2.204 9.437 2.811 250 H GLU 31 H GLU 31 -0.602 10.644 -0.372 251 HA GLU 31 HA GLU 31 -2.120 13.074 -0.635 252 HB2 GLU 31 2HB GLU 31 -1.684 10.820 -2.647 253 HB3 GLU 31 3HB GLU 31 -2.416 12.376 -3.025 254 HG2 GLU 31 2HG GLU 31 0.444 11.831 -2.212 255 HG3 GLU 31 3HG GLU 31 -0.132 12.422 -3.764 256 H LEU 32 H LEU 32 -2.949 9.792 0.015 257 HA LEU 32 HA LEU 32 -5.813 10.225 -0.420 258 HB2 LEU 32 2HB LEU 32 -4.296 7.843 0.721 259 HB3 LEU 32 3HB LEU 32 -6.011 7.868 0.333 260 HG LEU 32 HG LEU 32 -3.741 8.157 -1.675 261 HD11 LEU 32 1HD1 LEU 32 -3.873 5.875 -0.863 262 HD12 LEU 32 2HD1 LEU 32 -4.409 5.963 -2.539 263 HD13 LEU 32 3HD1 LEU 32 -5.596 5.805 -1.239 264 HD21 LEU 32 1HD2 LEU 32 -6.727 8.086 -2.183 265 HD22 LEU 32 2HD2 LEU 32 -5.468 8.059 -3.420 266 HD23 LEU 32 3HD2 LEU 32 -5.652 9.473 -2.390 267 H HIS 33 H HIS 33 -3.447 10.233 2.162 268 HA HIS 33 HA HIS 33 -5.147 10.039 4.408 269 HB2 HIS 33 2HB HIS 33 -2.709 9.744 4.607 270 HB3 HIS 33 3HB HIS 33 -2.436 11.427 4.163 271 HD1 HIS 33 HD1 HIS 33 -4.101 9.418 6.933 272 HD2 HIS 33 HD2 HIS 33 -2.364 13.136 6.316 273 HE1 HIS 33 HE1 HIS 33 -4.104 10.550 9.171 274 HE2 HIS 33 HE2 HIS 33 -2.948 12.743 8.797 275 H GLU 34 H GLU 34 -4.154 12.802 2.435 276 HA GLU 34 HA GLU 34 -5.079 14.843 4.193 277 HB2 GLU 34 2HB GLU 34 -4.710 16.389 2.265 278 HB3 GLU 34 3HB GLU 34 -3.338 15.352 2.616 279 HG2 GLU 34 2HG GLU 34 -3.440 15.446 0.276 280 HG3 GLU 34 3HG GLU 34 -4.111 13.873 0.690 281 H ARG 35 H ARG 35 -6.835 12.761 2.092 282 HA ARG 35 HA ARG 35 -9.229 14.532 2.275 283 HB2 ARG 35 2HB ARG 35 -10.236 13.196 0.488 284 HB3 ARG 35 3HB ARG 35 -8.693 13.864 -0.020 285 HG2 ARG 35 2HG ARG 35 -7.864 11.426 0.807 286 HG3 ARG 35 3HG ARG 35 -9.512 11.021 0.353 287 HD2 ARG 35 2HD ARG 35 -7.362 12.234 -1.418 288 HD3 ARG 35 3HD ARG 35 -8.024 10.606 -1.519 289 HE ARG 35 HE ARG 35 -10.011 11.463 -2.449 290 HH11 ARG 35 1HH1 ARG 35 -7.616 14.013 -1.961 291 HH12 ARG 35 2HH1 ARG 35 -8.397 15.119 -3.052 292 HH21 ARG 35 1HH2 ARG 35 -11.020 12.921 -3.879 293 HH22 ARG 35 2HH2 ARG 35 -10.330 14.492 -4.137 294 H GLY 36 H GLY 36 -7.764 11.662 3.466 295 HA2 GLY 36 2HA GLY 36 -8.350 10.257 5.171 296 HA3 GLY 36 3HA GLY 36 -9.685 11.339 5.541 297 H THR 37 H THR 37 -8.867 9.335 2.729 298 HA THR 37 HA THR 37 -11.619 8.373 2.535 299 HB THR 37 HB THR 37 -10.532 9.214 0.480 300 HG1 THR 37 HG1 THR 37 -11.322 7.625 -0.782 301 HG21 THR 37 1HG2 THR 37 -8.746 7.930 -0.644 302 HG22 THR 37 2HG2 THR 37 -8.607 6.880 0.766 303 HG23 THR 37 3HG2 THR 37 -8.185 8.590 0.897 304 H GLU 38 H GLU 38 -11.960 6.075 1.990 305 HA GLU 38 HA GLU 38 -10.543 4.243 3.714 306 HB2 GLU 38 2HB GLU 38 -12.150 2.544 2.779 307 HB3 GLU 38 3HB GLU 38 -12.917 3.922 3.553 308 HG2 GLU 38 2HG GLU 38 -13.387 4.894 1.312 309 HG3 GLU 38 3HG GLU 38 -12.665 3.471 0.561 310 H ILE 39 H ILE 39 -8.697 3.335 3.125 311 HA ILE 39 HA ILE 39 -7.975 3.000 0.273 312 HB ILE 39 HB ILE 39 -6.150 2.888 2.733 313 HG12 ILE 39 2HG1 ILE 39 -6.524 5.203 0.770 314 HG13 ILE 39 3HG1 ILE 39 -7.119 5.174 2.424 315 HG21 ILE 39 1HG2 ILE 39 -5.442 3.039 -0.224 316 HG22 ILE 39 2HG2 ILE 39 -5.270 1.618 0.809 317 HG23 ILE 39 3HG2 ILE 39 -4.292 3.053 1.114 318 HD11 ILE 39 1HD1 ILE 39 -4.234 5.193 1.548 319 HD12 ILE 39 2HD1 ILE 39 -4.779 5.029 3.219 320 HD13 ILE 39 3HD1 ILE 39 -5.141 6.496 2.314 321 H VAL 40 H VAL 40 -7.813 0.945 -0.539 322 HA VAL 40 HA VAL 40 -7.670 -1.359 1.336 323 HB VAL 40 HB VAL 40 -9.003 -1.351 -1.428 324 HG11 VAL 40 1HG1 VAL 40 -7.998 -3.529 -0.899 325 HG12 VAL 40 2HG1 VAL 40 -9.757 -3.636 -0.842 326 HG13 VAL 40 3HG1 VAL 40 -8.833 -3.559 0.659 327 HG21 VAL 40 1HG2 VAL 40 -10.351 -0.097 0.202 328 HG22 VAL 40 2HG2 VAL 40 -10.304 -1.464 1.315 329 HG23 VAL 40 3HG2 VAL 40 -11.140 -1.616 -0.231 330 H VAL 41 H VAL 41 -5.624 -2.031 1.279 331 HA VAL 41 HA VAL 41 -3.934 -1.672 -1.096 332 HB VAL 41 HB VAL 41 -3.145 -2.684 1.687 333 HG11 VAL 41 1HG1 VAL 41 -1.517 -3.276 -0.059 334 HG12 VAL 41 2HG1 VAL 41 -0.847 -2.059 1.028 335 HG13 VAL 41 3HG1 VAL 41 -1.425 -1.588 -0.572 336 HG21 VAL 41 1HG2 VAL 41 -4.112 -0.447 1.885 337 HG22 VAL 41 2HG2 VAL 41 -3.042 0.156 0.616 338 HG23 VAL 41 3HG2 VAL 41 -2.368 -0.388 2.153 339 H GLU 42 H GLU 42 -3.614 -3.346 -2.449 340 HA GLU 42 HA GLU 42 -4.198 -6.113 -1.570 341 HB2 GLU 42 2HB GLU 42 -5.984 -5.106 -3.032 342 HB3 GLU 42 3HB GLU 42 -4.779 -4.846 -4.287 343 HG2 GLU 42 2HG GLU 42 -4.410 -7.338 -4.369 344 HG3 GLU 42 3HG GLU 42 -5.742 -7.530 -3.228 345 H VAL 43 H VAL 43 -2.208 -7.068 -1.447 346 HA VAL 43 HA VAL 43 -0.052 -6.289 -3.311 347 HB VAL 43 HB VAL 43 0.175 -7.994 -0.768 348 HG11 VAL 43 1HG1 VAL 43 2.327 -6.606 -2.415 349 HG12 VAL 43 2HG1 VAL 43 2.024 -8.343 -2.368 350 HG13 VAL 43 3HG1 VAL 43 2.593 -7.510 -0.920 351 HG21 VAL 43 1HG2 VAL 43 -0.630 -5.735 -0.201 352 HG22 VAL 43 2HG2 VAL 43 0.713 -5.019 -1.092 353 HG23 VAL 43 3HG2 VAL 43 1.029 -5.973 0.359 354 H HIS 44 H HIS 44 0.476 -7.627 -4.932 355 HA HIS 44 HA HIS 44 -0.273 -10.485 -4.867 356 HB2 HIS 44 2HB HIS 44 -0.128 -8.544 -7.204 357 HB3 HIS 44 3HB HIS 44 -0.129 -10.288 -7.444 358 HD1 HIS 44 HD1 HIS 44 -2.347 -11.406 -7.538 359 HD2 HIS 44 HD2 HIS 44 -2.630 -7.562 -5.994 360 HE1 HIS 44 HE1 HIS 44 -4.800 -10.939 -7.347 361 HE2 HIS 44 HE2 HIS 44 -4.917 -8.521 -6.699 362 H ILE 45 H ILE 45 1.498 -11.702 -4.503 363 HA ILE 45 HA ILE 45 3.998 -11.066 -5.969 364 HB ILE 45 HB ILE 45 3.946 -11.840 -3.015 365 HG12 ILE 45 2HG1 ILE 45 4.855 -9.272 -4.389 366 HG13 ILE 45 3HG1 ILE 45 3.465 -9.452 -3.327 367 HG21 ILE 45 1HG2 ILE 45 6.424 -11.718 -3.110 368 HG22 ILE 45 2HG2 ILE 45 6.345 -11.438 -4.846 369 HG23 ILE 45 3HG2 ILE 45 5.796 -12.971 -4.178 370 HD11 ILE 45 1HD1 ILE 45 5.254 -8.367 -2.171 371 HD12 ILE 45 2HD1 ILE 45 6.364 -9.686 -2.540 372 HD13 ILE 45 3HD1 ILE 45 4.988 -9.959 -1.465 373 H ASN 46 H ASN 46 4.412 -12.669 -7.253 374 HA ASN 46 HA ASN 46 4.645 -14.639 -8.268 375 HB2 ASN 46 2HB ASN 46 4.494 -15.871 -5.488 376 HB3 ASN 46 3HB ASN 46 4.891 -16.766 -6.946 377 HD21 ASN 46 1HD2 ASN 46 6.105 -14.701 -4.493 378 HD22 ASN 46 2HD2 ASN 46 7.727 -14.599 -5.063 379 H GLY 47 H GLY 47 2.253 -15.377 -5.707 380 HA2 GLY 47 2HA GLY 47 0.000 -15.255 -7.486 381 HA3 GLY 47 3HA GLY 47 0.445 -16.918 -7.110 382 H GLU 48 H GLU 48 1.058 -14.508 -4.687 383 HA GLU 48 HA GLU 48 -1.307 -15.326 -3.094 384 HB2 GLU 48 2HB GLU 48 1.335 -13.971 -2.366 385 HB3 GLU 48 3HB GLU 48 -0.026 -13.984 -1.255 386 HG2 GLU 48 2HG GLU 48 1.240 -16.494 -2.368 387 HG3 GLU 48 3HG GLU 48 1.708 -15.751 -0.841 388 H ARG 49 H ARG 49 -2.847 -13.833 -2.475 389 HA ARG 49 HA ARG 49 -2.468 -10.995 -3.182 390 HB2 ARG 49 2HB ARG 49 -4.784 -10.760 -3.865 391 HB3 ARG 49 3HB ARG 49 -4.039 -12.032 -4.814 392 HG2 ARG 49 2HG ARG 49 -5.199 -13.730 -3.406 393 HG3 ARG 49 3HG ARG 49 -5.972 -12.429 -2.503 394 HD2 ARG 49 2HD ARG 49 -7.041 -11.641 -4.616 395 HD3 ARG 49 3HD ARG 49 -6.317 -13.011 -5.468 396 HE ARG 49 HE ARG 49 -7.696 -14.196 -3.447 397 HH11 ARG 49 1HH1 ARG 49 -8.658 -11.873 -5.930 398 HH12 ARG 49 2HH1 ARG 49 -10.299 -12.435 -5.989 399 HH21 ARG 49 1HH2 ARG 49 -9.862 -14.922 -3.546 400 HH22 ARG 49 2HH2 ARG 49 -10.976 -14.160 -4.641 401 H ASP 50 H ASP 50 -2.218 -9.997 -1.354 402 HA ASP 50 HA ASP 50 -3.743 -10.665 1.079 403 HB2 ASP 50 2HB ASP 50 -1.423 -8.717 0.638 404 HB3 ASP 50 3HB ASP 50 -2.153 -9.086 2.199 405 H GLU 51 H GLU 51 -5.282 -9.249 1.878 406 HA GLU 51 HA GLU 51 -5.713 -6.682 0.454 407 HB2 GLU 51 2HB GLU 51 -7.250 -8.432 -0.463 408 HB3 GLU 51 3HB GLU 51 -7.903 -8.694 1.152 409 HG2 GLU 51 2HG GLU 51 -8.660 -6.299 1.183 410 HG3 GLU 51 3HG GLU 51 -8.109 -6.138 -0.485 411 H ILE 52 H ILE 52 -5.319 -5.231 1.978 412 HA ILE 52 HA ILE 52 -6.338 -5.569 4.748 413 HB ILE 52 HB ILE 52 -4.016 -3.784 3.825 414 HG12 ILE 52 2HG1 ILE 52 -3.709 -6.510 5.178 415 HG13 ILE 52 3HG1 ILE 52 -3.564 -6.276 3.443 416 HG21 ILE 52 1HG2 ILE 52 -3.450 -3.703 6.237 417 HG22 ILE 52 2HG2 ILE 52 -4.851 -4.711 6.603 418 HG23 ILE 52 3HG2 ILE 52 -5.081 -3.093 5.937 419 HD11 ILE 52 1HD1 ILE 52 -1.658 -4.816 3.770 420 HD12 ILE 52 2HD1 ILE 52 -1.398 -6.390 4.517 421 HD13 ILE 52 3HD1 ILE 52 -1.794 -4.996 5.523 422 H ARG 53 H ARG 53 -8.256 -4.415 4.796 423 HA ARG 53 HA ARG 53 -8.568 -1.923 3.278 424 HB2 ARG 53 2HB ARG 53 -10.563 -3.327 5.129 425 HB3 ARG 53 3HB ARG 53 -10.892 -1.884 4.180 426 HG2 ARG 53 2HG ARG 53 -11.892 -3.647 2.983 427 HG3 ARG 53 3HG ARG 53 -10.407 -3.291 2.099 428 HD2 ARG 53 2HD ARG 53 -10.800 -5.711 2.307 429 HD3 ARG 53 3HD ARG 53 -9.312 -5.233 3.136 430 HE ARG 53 HE ARG 53 -11.116 -5.137 5.129 431 HH11 ARG 53 1HH1 ARG 53 -10.492 -7.683 2.772 432 HH12 ARG 53 2HH1 ARG 53 -10.992 -8.953 3.845 433 HH21 ARG 53 1HH2 ARG 53 -11.744 -6.787 6.519 434 HH22 ARG 53 2HH2 ARG 53 -11.706 -8.438 5.979 435 H VAL 54 H VAL 54 -7.461 -0.335 4.176 436 HA VAL 54 HA VAL 54 -7.692 0.259 7.073 437 HB VAL 54 HB VAL 54 -5.578 1.695 6.598 438 HG11 VAL 54 1HG1 VAL 54 -5.331 -1.329 6.407 439 HG12 VAL 54 2HG1 VAL 54 -5.509 -0.391 7.891 440 HG13 VAL 54 3HG1 VAL 54 -4.057 -0.213 6.912 441 HG21 VAL 54 1HG2 VAL 54 -5.667 1.689 4.130 442 HG22 VAL 54 2HG2 VAL 54 -5.438 -0.060 4.109 443 HG23 VAL 54 3HG2 VAL 54 -4.147 0.992 4.695 444 H ARG 55 H ARG 55 -9.293 1.671 7.327 445 HA ARG 55 HA ARG 55 -9.881 3.727 5.274 446 HB2 ARG 55 2HB ARG 55 -11.663 2.824 7.582 447 HB3 ARG 55 3HB ARG 55 -12.133 3.802 6.196 448 HG2 ARG 55 2HG ARG 55 -11.705 1.793 4.720 449 HG3 ARG 55 3HG ARG 55 -11.405 0.852 6.182 450 HD2 ARG 55 2HD ARG 55 -13.662 0.405 5.544 451 HD3 ARG 55 3HD ARG 55 -13.761 1.477 6.939 452 HE ARG 55 HE ARG 55 -14.325 2.187 4.122 453 HH11 ARG 55 1HH1 ARG 55 -14.505 3.113 7.527 454 HH12 ARG 55 2HH1 ARG 55 -15.575 4.445 7.226 455 HH21 ARG 55 1HH2 ARG 55 -15.736 3.940 3.756 456 HH22 ARG 55 2HH2 ARG 55 -16.268 4.911 5.091 457 H ASN 56 H ASN 56 -9.318 5.784 5.741 458 HA ASN 56 HA ASN 56 -8.832 7.727 6.824 459 HB2 ASN 56 2HB ASN 56 -10.681 6.521 8.929 460 HB3 ASN 56 3HB ASN 56 -10.035 8.151 9.048 461 HD21 ASN 56 1HD2 ASN 56 -11.167 6.577 6.060 462 HD22 ASN 56 2HD2 ASN 56 -12.474 7.668 5.808 463 H ILE 57 H ILE 57 -7.011 5.511 7.092 464 HA ILE 57 HA ILE 57 -5.949 5.398 9.728 465 HB ILE 57 HB ILE 57 -3.787 4.514 8.439 466 HG12 ILE 57 2HG1 ILE 57 -4.330 3.430 6.256 467 HG13 ILE 57 3HG1 ILE 57 -5.904 4.212 6.244 468 HG21 ILE 57 1HG2 ILE 57 -6.385 2.940 8.516 469 HG22 ILE 57 2HG2 ILE 57 -5.247 3.151 9.849 470 HG23 ILE 57 3HG2 ILE 57 -4.758 2.257 8.410 471 HD11 ILE 57 1HD1 ILE 57 -3.296 5.707 6.204 472 HD12 ILE 57 2HD1 ILE 57 -4.905 6.344 5.870 473 HD13 ILE 57 3HD1 ILE 57 -4.157 5.195 4.760 474 H SER 58 H SER 58 -3.815 6.088 10.375 475 HA SER 58 HA SER 58 -3.707 8.976 10.025 476 HB2 SER 58 2HB SER 58 -2.292 7.194 12.048 477 HB3 SER 58 3HB SER 58 -2.519 8.941 12.145 478 HG SER 58 HG SER 58 -4.506 6.916 12.269 479 H LYS 59 H LYS 59 -1.197 9.732 10.609 480 HA LYS 59 HA LYS 59 -0.019 9.599 8.018 481 HB2 LYS 59 2HB LYS 59 -0.007 11.636 9.445 482 HB3 LYS 59 3HB LYS 59 1.085 10.837 10.572 483 HG2 LYS 59 2HG LYS 59 2.794 10.672 8.731 484 HG3 LYS 59 3HG LYS 59 1.697 11.579 7.687 485 HD2 LYS 59 2HD LYS 59 3.394 13.081 8.617 486 HD3 LYS 59 3HD LYS 59 1.807 13.508 9.258 487 HE2 LYS 59 2HE LYS 59 2.319 12.392 11.368 488 HE3 LYS 59 3HE LYS 59 3.856 11.812 10.728 489 HZ1 LYS 59 1HZ LYS 59 4.646 14.055 10.582 490 HZ2 LYS 59 2HZ LYS 59 4.096 13.769 12.153 491 HZ3 LYS 59 3HZ LYS 59 3.155 14.677 11.083 492 H GLU 60 H GLU 60 1.252 8.564 11.210 493 HA GLU 60 HA GLU 60 3.469 7.073 10.096 494 HB2 GLU 60 2HB GLU 60 3.987 6.408 12.354 495 HB3 GLU 60 3HB GLU 60 3.531 8.101 12.396 496 HG2 GLU 60 2HG GLU 60 1.623 5.860 13.137 497 HG3 GLU 60 3HG GLU 60 2.686 6.630 14.296 498 H GLU 61 H GLU 61 0.194 6.427 10.963 499 HA GLU 61 HA GLU 61 0.298 3.601 11.225 500 HB2 GLU 61 2HB GLU 61 -1.409 5.107 12.216 501 HB3 GLU 61 3HB GLU 61 -2.070 5.401 10.614 502 HG2 GLU 61 2HG GLU 61 -2.823 3.103 10.441 503 HG3 GLU 61 3HG GLU 61 -1.978 2.666 11.927 504 H LEU 62 H LEU 62 -0.248 5.701 8.395 505 HA LEU 62 HA LEU 62 -1.008 3.600 6.610 506 HB2 LEU 62 2HB LEU 62 -0.618 5.186 4.773 507 HB3 LEU 62 3HB LEU 62 -1.586 5.876 6.051 508 HG LEU 62 HG LEU 62 0.666 6.990 6.838 509 HD11 LEU 62 1HD1 LEU 62 1.370 6.495 3.927 510 HD12 LEU 62 2HD1 LEU 62 2.199 5.825 5.328 511 HD13 LEU 62 3HD1 LEU 62 2.236 7.563 5.038 512 HD21 LEU 62 1HD2 LEU 62 0.212 8.964 5.453 513 HD22 LEU 62 2HD2 LEU 62 -1.276 8.245 6.058 514 HD23 LEU 62 3HD2 LEU 62 -0.797 7.990 4.378 515 H LYS 63 H LYS 63 2.006 4.757 7.824 516 HA LYS 63 HA LYS 63 3.751 3.561 5.916 517 HB2 LYS 63 2HB LYS 63 4.348 4.308 8.810 518 HB3 LYS 63 3HB LYS 63 5.537 4.027 7.538 519 HG2 LYS 63 2HG LYS 63 4.750 5.990 6.308 520 HG3 LYS 63 3HG LYS 63 3.470 6.253 7.498 521 HD2 LYS 63 2HD LYS 63 5.302 6.571 9.244 522 HD3 LYS 63 3HD LYS 63 6.473 6.539 7.921 523 HE2 LYS 63 2HE LYS 63 5.397 8.513 6.907 524 HE3 LYS 63 3HE LYS 63 4.185 8.524 8.192 525 HZ1 LYS 63 1HZ LYS 63 5.997 8.897 9.796 526 HZ2 LYS 63 2HZ LYS 63 5.878 10.136 8.656 527 HZ3 LYS 63 3HZ LYS 63 7.104 8.984 8.518 528 H LYS 64 H LYS 64 1.885 2.284 8.564 529 HA LYS 64 HA LYS 64 3.452 -0.083 9.018 530 HB2 LYS 64 2HB LYS 64 0.456 0.167 9.520 531 HB3 LYS 64 3HB LYS 64 1.585 -0.923 10.309 532 HG2 LYS 64 2HG LYS 64 1.304 2.064 10.702 533 HG3 LYS 64 3HG LYS 64 1.000 0.798 11.883 534 HD2 LYS 64 2HD LYS 64 3.720 1.576 10.766 535 HD3 LYS 64 3HD LYS 64 3.086 2.034 12.345 536 HE2 LYS 64 2HE LYS 64 3.682 -0.806 11.445 537 HE3 LYS 64 3HE LYS 64 4.695 0.175 12.498 538 HZ1 LYS 64 1HZ LYS 64 2.940 0.190 14.133 539 HZ2 LYS 64 2HZ LYS 64 3.352 -1.400 13.732 540 HZ3 LYS 64 3HZ LYS 64 1.937 -0.712 13.114 541 H LEU 65 H LEU 65 1.148 0.913 6.573 542 HA LEU 65 HA LEU 65 0.536 -1.659 5.480 543 HB2 LEU 65 2HB LEU 65 0.469 1.160 4.329 544 HB3 LEU 65 3HB LEU 65 0.139 -0.220 3.309 545 HG LEU 65 HG LEU 65 -1.974 0.684 3.994 546 HD11 LEU 65 1HD1 LEU 65 -1.470 -1.835 5.609 547 HD12 LEU 65 2HD1 LEU 65 -1.881 -1.758 3.893 548 HD13 LEU 65 3HD1 LEU 65 -3.041 -1.213 5.097 549 HD21 LEU 65 1HD2 LEU 65 -1.106 0.461 6.895 550 HD22 LEU 65 2HD2 LEU 65 -2.673 1.019 6.301 551 HD23 LEU 65 3HD2 LEU 65 -1.224 1.953 5.962 552 H LEU 66 H LEU 66 3.016 0.766 4.819 553 HA LEU 66 HA LEU 66 4.384 -0.468 2.712 554 HB2 LEU 66 2HB LEU 66 5.314 1.453 4.864 555 HB3 LEU 66 3HB LEU 66 6.427 0.834 3.656 556 HG LEU 66 HG LEU 66 4.990 1.849 1.864 557 HD11 LEU 66 1HD1 LEU 66 3.346 3.557 2.431 558 HD12 LEU 66 2HD1 LEU 66 3.533 3.195 4.149 559 HD13 LEU 66 3HD1 LEU 66 2.858 1.983 3.062 560 HD21 LEU 66 1HD2 LEU 66 5.982 3.858 3.892 561 HD22 LEU 66 2HD2 LEU 66 5.869 4.028 2.141 562 HD23 LEU 66 3HD2 LEU 66 7.031 2.915 2.830 563 H GLU 67 H GLU 67 4.813 -0.802 6.268 564 HA GLU 67 HA GLU 67 7.095 -2.485 5.992 565 HB2 GLU 67 2HB GLU 67 7.109 -2.850 8.314 566 HB3 GLU 67 3HB GLU 67 6.576 -1.193 8.096 567 HG2 GLU 67 2HG GLU 67 4.332 -1.737 8.699 568 HG3 GLU 67 3HG GLU 67 4.647 -3.465 8.603 569 H ARG 68 H ARG 68 3.600 -3.201 6.302 570 HA ARG 68 HA ARG 68 3.757 -6.015 6.485 571 HB2 ARG 68 2HB ARG 68 1.668 -4.274 5.072 572 HB3 ARG 68 3HB ARG 68 1.460 -5.997 5.338 573 HG2 ARG 68 2HG ARG 68 1.935 -4.164 7.685 574 HG3 ARG 68 3HG ARG 68 0.336 -4.266 6.953 575 HD2 ARG 68 2HD ARG 68 0.386 -5.755 8.817 576 HD3 ARG 68 3HD ARG 68 0.373 -6.738 7.354 577 HE ARG 68 HE ARG 68 3.036 -6.325 8.330 578 HH11 ARG 68 1HH1 ARG 68 0.112 -8.248 8.899 579 HH12 ARG 68 2HH1 ARG 68 0.983 -9.548 9.652 580 HH21 ARG 68 1HH2 ARG 68 4.136 -8.036 9.397 581 HH22 ARG 68 2HH2 ARG 68 3.242 -9.427 9.932 582 H ILE 69 H ILE 69 3.723 -3.915 3.603 583 HA ILE 69 HA ILE 69 3.677 -5.938 1.614 584 HB ILE 69 HB ILE 69 4.691 -3.058 1.383 585 HG12 ILE 69 2HG1 ILE 69 1.926 -4.173 0.727 586 HG13 ILE 69 3HG1 ILE 69 2.313 -3.249 2.166 587 HG21 ILE 69 1HG2 ILE 69 3.848 -4.972 -0.827 588 HG22 ILE 69 2HG2 ILE 69 5.493 -4.420 -0.508 589 HG23 ILE 69 3HG2 ILE 69 4.268 -3.272 -1.054 590 HD11 ILE 69 1HD1 ILE 69 1.196 -1.873 0.540 591 HD12 ILE 69 2HD1 ILE 69 2.423 -2.240 -0.671 592 HD13 ILE 69 3HD1 ILE 69 2.849 -1.311 0.770 593 H ARG 70 H ARG 70 6.355 -4.028 3.046 594 HA ARG 70 HA ARG 70 8.413 -5.073 1.406 595 HB2 ARG 70 2HB ARG 70 9.998 -3.985 2.817 596 HB3 ARG 70 3HB ARG 70 8.598 -2.926 2.741 597 HG2 ARG 70 2HG ARG 70 7.915 -3.611 4.969 598 HG3 ARG 70 3HG ARG 70 9.210 -4.801 5.046 599 HD2 ARG 70 2HD ARG 70 9.574 -1.785 4.891 600 HD3 ARG 70 3HD ARG 70 9.765 -2.781 6.339 601 HE ARG 70 HE ARG 70 11.447 -3.893 4.496 602 HH11 ARG 70 1HH1 ARG 70 11.214 -0.666 5.921 603 HH12 ARG 70 2HH1 ARG 70 12.914 -0.369 5.763 604 HH21 ARG 70 1HH2 ARG 70 13.633 -3.504 4.350 605 HH22 ARG 70 2HH2 ARG 70 14.287 -1.985 4.873 606 H GLU 71 H GLU 71 7.039 -6.115 4.496 607 HA GLU 71 HA GLU 71 8.863 -8.121 5.221 608 HB2 GLU 71 2HB GLU 71 5.851 -7.923 5.652 609 HB3 GLU 71 3HB GLU 71 6.800 -9.263 6.294 610 HG2 GLU 71 2HG GLU 71 8.147 -7.706 7.607 611 HG3 GLU 71 3HG GLU 71 7.292 -6.343 6.932 612 H LYS 72 H LYS 72 6.141 -8.125 2.923 613 HA LYS 72 HA LYS 72 6.224 -10.939 2.389 614 HB2 LYS 72 2HB LYS 72 5.011 -8.748 0.635 615 HB3 LYS 72 3HB LYS 72 4.691 -10.472 0.515 616 HG2 LYS 72 2HG LYS 72 3.746 -8.514 2.586 617 HG3 LYS 72 3HG LYS 72 2.807 -9.650 1.619 618 HD2 LYS 72 2HD LYS 72 4.037 -11.514 2.995 619 HD3 LYS 72 3HD LYS 72 4.491 -10.203 4.089 620 HE2 LYS 72 2HE LYS 72 2.508 -11.204 4.990 621 HE3 LYS 72 3HE LYS 72 2.003 -9.664 4.280 622 HZ1 LYS 72 1HZ LYS 72 1.275 -10.851 2.312 623 HZ2 LYS 72 2HZ LYS 72 0.502 -11.467 3.680 624 HZ3 LYS 72 3HZ LYS 72 1.772 -12.320 2.968 625 H ILE 73 H ILE 73 7.611 -8.075 0.740 626 HA ILE 73 HA ILE 73 8.572 -9.498 -1.539 627 HB ILE 73 HB ILE 73 9.672 -7.516 -2.270 628 HG12 ILE 73 2HG1 ILE 73 9.705 -5.444 -0.444 629 HG13 ILE 73 3HG1 ILE 73 10.002 -6.797 0.631 630 HG21 ILE 73 1HG2 ILE 73 7.273 -6.603 -0.645 631 HG22 ILE 73 2HG2 ILE 73 7.225 -7.341 -2.246 632 HG23 ILE 73 3HG2 ILE 73 7.966 -5.756 -2.033 633 HD11 ILE 73 1HD1 ILE 73 11.672 -6.102 -1.786 634 HD12 ILE 73 2HD1 ILE 73 12.014 -7.369 -0.604 635 HD13 ILE 73 3HD1 ILE 73 12.048 -5.674 -0.117 636 H GLU 74 H GLU 74 9.846 -8.951 1.657 637 HA GLU 74 HA GLU 74 12.523 -9.957 1.089 638 HB2 GLU 74 2HB GLU 74 11.179 -9.030 3.650 639 HB3 GLU 74 3HB GLU 74 12.849 -9.596 3.582 640 HG2 GLU 74 2HG GLU 74 13.449 -7.780 2.056 641 HG3 GLU 74 3HG GLU 74 11.769 -7.248 1.984 642 H ARG 75 H ARG 75 9.516 -11.288 2.385 643 HA ARG 75 HA ARG 75 10.693 -13.719 3.440 644 HB2 ARG 75 2HB ARG 75 7.806 -13.062 2.680 645 HB3 ARG 75 3HB ARG 75 8.297 -14.567 3.451 646 HG2 ARG 75 2HG ARG 75 8.934 -13.415 5.473 647 HG3 ARG 75 3HG ARG 75 8.726 -11.844 4.706 648 HD2 ARG 75 2HD ARG 75 6.252 -12.484 4.401 649 HD3 ARG 75 3HD ARG 75 6.581 -13.828 5.503 650 HE ARG 75 HE ARG 75 7.463 -11.433 6.701 651 HH11 ARG 75 1HH1 ARG 75 4.447 -13.041 5.823 652 HH12 ARG 75 2HH1 ARG 75 3.517 -12.259 7.060 653 HH21 ARG 75 1HH2 ARG 75 6.193 -10.359 8.311 654 HH22 ARG 75 2HH2 ARG 75 4.507 -10.748 8.464 655 H GLU 76 H GLU 76 9.041 -12.745 0.482 656 HA GLU 76 HA GLU 76 8.963 -15.358 -0.706 657 HB2 GLU 76 2HB GLU 76 8.412 -12.571 -1.841 658 HB3 GLU 76 3HB GLU 76 8.114 -14.073 -2.713 659 HG2 GLU 76 2HG GLU 76 6.763 -13.195 -0.144 660 HG3 GLU 76 3HG GLU 76 6.039 -13.232 -1.750 661 H GLY 77 H GLY 77 11.138 -12.629 -0.782 662 HA2 GLY 77 2HA GLY 77 13.341 -12.586 -1.468 663 HA3 GLY 77 3HA GLY 77 13.144 -14.150 -2.245 664 H SER 78 H SER 78 11.290 -13.918 -4.062 665 HA SER 78 HA SER 78 12.370 -12.688 -6.268 666 HB2 SER 78 2HB SER 78 9.447 -13.382 -5.741 667 HB3 SER 78 3HB SER 78 10.137 -13.085 -7.335 668 HG SER 78 HG SER 78 11.533 -14.863 -6.962 669 H SER 79 H SER 79 12.204 -10.749 -7.294 670 HA SER 79 HA SER 79 11.019 -8.434 -6.018 671 HB2 SER 79 2HB SER 79 13.180 -8.368 -7.346 672 HB3 SER 79 3HB SER 79 12.239 -8.630 -8.810 673 HG SER 79 HG SER 79 11.044 -6.627 -7.892 674 H GLU 80 H GLU 80 9.696 -10.908 -7.782 675 HA GLU 80 HA GLU 80 7.796 -9.702 -9.464 676 HB2 GLU 80 2HB GLU 80 8.352 -12.109 -9.582 677 HB3 GLU 80 3HB GLU 80 7.741 -12.355 -7.957 678 HG2 GLU 80 2HG GLU 80 6.200 -13.183 -9.742 679 HG3 GLU 80 3HG GLU 80 5.470 -11.996 -8.663 680 H VAL 81 H VAL 81 6.903 -7.917 -8.396 681 HA VAL 81 HA VAL 81 4.988 -8.421 -6.194 682 HB VAL 81 HB VAL 81 6.826 -5.968 -6.308 683 HG11 VAL 81 1HG1 VAL 81 4.923 -6.865 -4.113 684 HG12 VAL 81 2HG1 VAL 81 4.664 -5.514 -5.220 685 HG13 VAL 81 3HG1 VAL 81 5.985 -5.455 -4.053 686 HG21 VAL 81 1HG2 VAL 81 8.162 -7.966 -5.776 687 HG22 VAL 81 2HG2 VAL 81 7.076 -8.348 -4.439 688 HG23 VAL 81 3HG2 VAL 81 8.054 -6.878 -4.391 689 H GLU 82 H GLU 82 3.092 -7.280 -6.375 690 HA GLU 82 HA GLU 82 2.786 -5.071 -8.280 691 HB2 GLU 82 2HB GLU 82 2.104 -7.117 -9.512 692 HB3 GLU 82 3HB GLU 82 0.996 -7.545 -8.213 693 HG2 GLU 82 2HG GLU 82 -0.210 -5.327 -8.690 694 HG3 GLU 82 3HG GLU 82 0.769 -5.214 -10.153 695 H VAL 83 H VAL 83 2.236 -3.503 -6.801 696 HA VAL 83 HA VAL 83 0.413 -4.137 -4.559 697 HB VAL 83 HB VAL 83 2.071 -1.596 -5.003 698 HG11 VAL 83 1HG1 VAL 83 1.609 -1.134 -2.618 699 HG12 VAL 83 2HG1 VAL 83 0.603 -2.582 -2.526 700 HG13 VAL 83 3HG1 VAL 83 0.117 -1.233 -3.556 701 HG21 VAL 83 1HG2 VAL 83 3.557 -3.547 -4.722 702 HG22 VAL 83 2HG2 VAL 83 2.733 -3.972 -3.220 703 HG23 VAL 83 3HG2 VAL 83 3.651 -2.466 -3.327 704 H ASN 84 H ASN 84 -1.670 -3.821 -5.091 705 HA ASN 84 HA ASN 84 -2.519 -1.646 -6.902 706 HB2 ASN 84 2HB ASN 84 -4.140 -4.011 -5.805 707 HB3 ASN 84 3HB ASN 84 -4.661 -2.877 -7.048 708 HD21 ASN 84 1HD2 ASN 84 -2.505 -5.546 -6.327 709 HD22 ASN 84 2HD2 ASN 84 -2.176 -5.981 -7.969 710 H VAL 85 H VAL 85 -2.737 0.179 -5.684 711 HA VAL 85 HA VAL 85 -3.925 0.055 -2.989 712 HB VAL 85 HB VAL 85 -2.648 2.432 -4.437 713 HG11 VAL 85 1HG1 VAL 85 -2.662 3.542 -2.222 714 HG12 VAL 85 2HG1 VAL 85 -3.519 2.162 -1.531 715 HG13 VAL 85 3HG1 VAL 85 -4.301 3.159 -2.758 716 HG21 VAL 85 1HG2 VAL 85 -0.712 2.085 -2.936 717 HG22 VAL 85 2HG2 VAL 85 -0.991 0.670 -3.956 718 HG23 VAL 85 3HG2 VAL 85 -1.486 0.646 -2.263 719 H HIS 86 H HIS 86 -6.031 0.329 -2.825 720 HA HIS 86 HA HIS 86 -7.605 1.687 -4.927 721 HB2 HIS 86 2HB HIS 86 -8.505 -0.178 -2.692 722 HB3 HIS 86 3HB HIS 86 -9.539 0.485 -3.952 723 HD1 HIS 86 HD1 HIS 86 -9.472 -0.639 -6.254 724 HD2 HIS 86 HD2 HIS 86 -6.817 -2.333 -3.535 725 HE1 HIS 86 HE1 HIS 86 -8.747 -2.814 -7.269 726 HE2 HIS 86 HE2 HIS 86 -7.104 -3.789 -5.648 727 H SER 87 H SER 87 -9.023 3.371 -4.320 728 HA SER 87 HA SER 87 -9.464 4.074 -1.540 729 HB2 SER 87 2HB SER 87 -8.568 6.406 -1.771 730 HB3 SER 87 3HB SER 87 -7.306 5.176 -1.869 731 HG SER 87 HG SER 87 -7.611 5.365 -4.225 732 H GLY 88 H GLY 88 -11.624 4.226 -1.641 733 HA2 GLY 88 2HA GLY 88 -13.713 5.028 -2.147 734 HA3 GLY 88 3HA GLY 88 -12.955 6.273 -3.136 735 H GLY 89 H GLY 89 -12.252 5.619 -5.321 736 HA2 GLY 89 2HA GLY 89 -13.121 3.043 -6.421 737 HA3 GLY 89 3HA GLY 89 -13.862 4.487 -7.116 738 H GLN 90 H GLN 90 -10.576 4.441 -5.911 739 HA GLN 90 HA GLN 90 -9.509 4.858 -8.657 740 HB2 GLN 90 2HB GLN 90 -8.567 5.968 -5.966 741 HB3 GLN 90 3HB GLN 90 -7.755 6.239 -7.506 742 HG2 GLN 90 2HG GLN 90 -9.637 7.518 -8.336 743 HG3 GLN 90 3HG GLN 90 -10.578 7.139 -6.897 744 HE21 GLN 90 1HE2 GLN 90 -8.453 7.558 -4.969 745 HE22 GLN 90 2HE2 GLN 90 -8.154 9.260 -4.935 746 H THR 91 H THR 91 -8.103 3.286 -9.302 747 HA THR 91 HA THR 91 -6.727 1.583 -7.288 748 HB THR 91 HB THR 91 -7.763 0.757 -10.054 749 HG1 THR 91 HG1 THR 91 -9.347 1.051 -8.314 750 HG21 THR 91 1HG2 THR 91 -7.128 -1.547 -9.410 751 HG22 THR 91 2HG2 THR 91 -6.451 -0.952 -7.895 752 HG23 THR 91 3HG2 THR 91 -5.707 -0.499 -9.430 753 H TRP 92 H TRP 92 -4.581 2.042 -7.333 754 HA TRP 92 HA TRP 92 -3.221 2.621 -9.907 755 HB2 TRP 92 2HB TRP 92 -2.298 3.133 -7.035 756 HB3 TRP 92 3HB TRP 92 -1.352 3.488 -8.481 757 HD1 TRP 92 HD1 TRP 92 -2.206 5.571 -10.022 758 HE1 TRP 92 HE1 TRP 92 -3.621 7.632 -9.433 759 HE3 TRP 92 HE3 TRP 92 -4.216 3.929 -5.632 760 HZ2 TRP 92 HZ2 TRP 92 -5.331 8.470 -7.357 761 HZ3 TRP 92 HZ3 TRP 92 -5.716 5.417 -4.395 762 HH2 TRP 92 HH2 TRP 92 -6.267 7.642 -5.240 763 H THR 93 H THR 93 -2.325 0.870 -10.775 764 HA THR 93 HA THR 93 -1.477 -1.415 -9.134 765 HB THR 93 HB THR 93 -1.722 -1.124 -12.174 766 HG1 THR 93 HG1 THR 93 -3.441 -2.232 -10.188 767 HG21 THR 93 1HG2 THR 93 -1.308 -3.634 -10.504 768 HG22 THR 93 2HG2 THR 93 -0.103 -2.901 -11.567 769 HG23 THR 93 3HG2 THR 93 -1.582 -3.583 -12.247 770 H PHE 94 H PHE 94 0.498 -1.008 -8.304 771 HA PHE 94 HA PHE 94 2.701 0.107 -9.873 772 HB2 PHE 94 2HB PHE 94 2.565 -0.838 -6.962 773 HB3 PHE 94 3HB PHE 94 3.983 -0.114 -7.716 774 HD1 PHE 94 HD1 PHE 94 4.019 2.284 -8.287 775 HD2 PHE 94 HD2 PHE 94 0.663 0.533 -6.294 776 HE1 PHE 94 HE1 PHE 94 3.206 4.518 -7.680 777 HE2 PHE 94 HE2 PHE 94 -0.140 2.768 -5.693 778 HZ PHE 94 HZ PHE 94 1.123 4.765 -6.390 779 H ASN 95 H ASN 95 3.677 -1.306 -11.200 780 HA ASN 95 HA ASN 95 4.078 -4.124 -10.407 781 HB2 ASN 95 2HB ASN 95 4.688 -2.710 -13.053 782 HB3 ASN 95 3HB ASN 95 4.842 -4.443 -12.749 783 HD21 ASN 95 1HD2 ASN 95 2.919 -5.698 -12.536 784 HD22 ASN 95 2HD2 ASN 95 1.396 -5.109 -13.097 785 H GLU 96 H GLU 96 5.949 -4.588 -9.402 786 HA GLU 96 HA GLU 96 8.015 -2.639 -9.066 787 HB2 GLU 96 2HB GLU 96 7.390 -4.358 -7.324 788 HB3 GLU 96 3HB GLU 96 8.108 -5.605 -8.335 789 HG2 GLU 96 2HG GLU 96 9.605 -4.897 -6.493 790 HG3 GLU 96 3HG GLU 96 10.319 -4.595 -8.078 791 H LYS 97 H LYS 97 10.062 -2.627 -9.938 792 HA LYS 97 HA LYS 97 10.326 -4.009 -12.532 793 HB2 LYS 97 2HB LYS 97 12.090 -2.181 -12.946 794 HB3 LYS 97 3HB LYS 97 10.409 -1.678 -12.879 795 HG2 LYS 97 2HG LYS 97 10.784 -0.928 -10.510 796 HG3 LYS 97 3HG LYS 97 12.496 -1.302 -10.707 797 HD2 LYS 97 2HD LYS 97 10.889 0.780 -12.238 798 HD3 LYS 97 3HD LYS 97 12.152 1.083 -11.044 799 HE2 LYS 97 2HE LYS 97 13.808 0.009 -12.580 800 HE3 LYS 97 3HE LYS 97 12.528 -0.181 -13.781 801 HZ1 LYS 97 1HZ LYS 97 13.539 2.396 -12.699 802 HZ2 LYS 97 2HZ LYS 97 12.253 2.245 -13.782 803 HZ3 LYS 97 3HZ LYS 97 13.810 1.785 -14.254 Start of MODEL 16 1 H1 MET 1 1H MET 1 5.154 -11.236 20.237 2 H2 MET 1 2H MET 1 4.933 -12.532 21.300 3 H3 MET 1 3H MET 1 5.161 -10.973 21.909 4 HA MET 1 HA MET 1 2.866 -11.887 20.296 5 HB2 MET 1 2HB MET 1 1.545 -11.681 22.364 6 HB3 MET 1 3HB MET 1 2.847 -12.840 22.569 7 HG2 MET 1 2HG MET 1 4.146 -11.168 23.830 8 HG3 MET 1 3HG MET 1 2.852 -9.992 23.605 9 HE1 MET 1 1HE MET 1 0.252 -11.987 23.969 10 HE2 MET 1 2HE MET 1 0.372 -10.342 24.599 11 HE3 MET 1 3HE MET 1 -0.073 -11.668 25.671 12 H GLY 2 H GLY 2 4.855 -9.274 20.995 13 HA2 GLY 2 2HA GLY 2 2.705 -7.243 20.707 14 HA3 GLY 2 3HA GLY 2 4.258 -6.970 21.485 15 H HIS 3 H HIS 3 2.809 -5.763 19.064 16 HA HIS 3 HA HIS 3 4.700 -6.136 16.897 17 HB2 HIS 3 2HB HIS 3 2.372 -4.201 17.291 18 HB3 HIS 3 3HB HIS 3 3.445 -4.109 15.894 19 HD1 HIS 3 HD1 HIS 3 0.479 -5.860 17.155 20 HD2 HIS 3 HD2 HIS 3 3.345 -6.482 14.209 21 HE1 HIS 3 HE1 HIS 3 -0.485 -7.604 15.630 22 HE2 HIS 3 HE2 HIS 3 1.239 -7.919 13.832 23 H HIS 4 H HIS 4 6.575 -5.753 18.201 24 HA HIS 4 HA HIS 4 7.216 -3.059 19.089 25 HB2 HIS 4 2HB HIS 4 9.000 -5.531 18.837 26 HB3 HIS 4 3HB HIS 4 9.425 -4.036 19.668 27 HD1 HIS 4 HD1 HIS 4 7.688 -3.452 21.763 28 HD2 HIS 4 HD2 HIS 4 7.874 -7.407 20.492 29 HE1 HIS 4 HE1 HIS 4 6.694 -4.813 23.625 30 HE2 HIS 4 HE2 HIS 4 6.994 -7.201 22.914 31 H HIS 5 H HIS 5 7.145 -1.733 17.341 32 HA HIS 5 HA HIS 5 8.027 -2.476 14.704 33 HB2 HIS 5 2HB HIS 5 7.415 -0.056 14.135 34 HB3 HIS 5 3HB HIS 5 6.116 -1.056 14.770 35 HD1 HIS 5 HD1 HIS 5 5.088 -0.397 16.997 36 HD2 HIS 5 HD2 HIS 5 8.226 2.087 15.863 37 HE1 HIS 5 HE1 HIS 5 4.992 1.565 18.559 38 HE2 HIS 5 HE2 HIS 5 6.972 2.977 17.943 39 H HIS 6 H HIS 6 10.167 -3.029 15.425 40 HA HIS 6 HA HIS 6 12.115 -0.847 15.769 41 HB2 HIS 6 2HB HIS 6 12.241 -2.834 17.286 42 HB3 HIS 6 3HB HIS 6 12.394 -3.906 15.897 43 HD1 HIS 6 HD1 HIS 6 14.311 -1.210 17.755 44 HD2 HIS 6 HD2 HIS 6 14.995 -4.241 15.002 45 HE1 HIS 6 HE1 HIS 6 16.801 -1.381 17.544 46 HE2 HIS 6 HE2 HIS 6 17.192 -3.315 15.986 47 H HIS 7 H HIS 7 13.161 -0.128 13.969 48 HA HIS 7 HA HIS 7 13.048 -1.354 11.407 49 HB2 HIS 7 2HB HIS 7 14.821 0.830 12.575 50 HB3 HIS 7 3HB HIS 7 15.151 0.182 10.975 51 HD1 HIS 7 HD1 HIS 7 13.932 3.112 12.059 52 HD2 HIS 7 HD2 HIS 7 12.167 0.181 9.699 53 HE1 HIS 7 HE1 HIS 7 12.189 4.299 10.697 54 HE2 HIS 7 HE2 HIS 7 11.328 2.547 9.118 55 H HIS 8 H HIS 8 13.526 -3.503 11.759 56 HA HIS 8 HA HIS 8 16.078 -4.418 12.659 57 HB2 HIS 8 2HB HIS 8 15.369 -6.649 11.589 58 HB3 HIS 8 3HB HIS 8 14.373 -6.052 12.906 59 HD1 HIS 8 HD1 HIS 8 14.034 -7.595 9.703 60 HD2 HIS 8 HD2 HIS 8 11.908 -4.666 11.757 61 HE1 HIS 8 HE1 HIS 8 11.738 -7.572 8.684 62 HE2 HIS 8 HE2 HIS 8 10.515 -5.730 9.866 63 H GLU 9 H GLU 9 15.334 -5.662 9.455 64 HA GLU 9 HA GLU 9 16.098 -5.334 7.380 65 HB2 GLU 9 2HB GLU 9 15.321 -3.043 7.576 66 HB3 GLU 9 3HB GLU 9 16.808 -2.550 8.377 67 HG2 GLU 9 2HG GLU 9 18.074 -2.861 6.341 68 HG3 GLU 9 3HG GLU 9 16.694 -3.592 5.534 69 H ASN 10 H ASN 10 18.403 -4.795 9.972 70 HA ASN 10 HA ASN 10 20.833 -5.186 8.531 71 HB2 ASN 10 2HB ASN 10 21.828 -5.499 10.759 72 HB3 ASN 10 3HB ASN 10 20.674 -4.178 10.841 73 HD21 ASN 10 1HD2 ASN 10 21.386 -7.412 11.891 74 HD22 ASN 10 2HD2 ASN 10 20.114 -7.536 13.054 75 H LEU 11 H LEU 11 22.211 -7.179 9.149 76 HA LEU 11 HA LEU 11 22.704 -9.360 8.999 77 HB2 LEU 11 2HB LEU 11 20.998 -9.737 10.790 78 HB3 LEU 11 3HB LEU 11 19.773 -9.958 9.552 79 HG LEU 11 HG LEU 11 21.010 -11.992 8.744 80 HD11 LEU 11 1HD1 LEU 11 22.780 -12.995 10.101 81 HD12 LEU 11 2HD1 LEU 11 22.779 -11.593 11.173 82 HD13 LEU 11 3HD1 LEU 11 23.268 -11.417 9.487 83 HD21 LEU 11 1HD2 LEU 11 19.120 -12.241 10.288 84 HD22 LEU 11 2HD2 LEU 11 20.204 -12.099 11.674 85 HD23 LEU 11 3HD2 LEU 11 20.341 -13.478 10.580 86 H TYR 12 H TYR 12 19.987 -8.175 7.054 87 HA TYR 12 HA TYR 12 20.560 -9.756 4.737 88 HB2 TYR 12 2HB TYR 12 19.329 -6.963 4.990 89 HB3 TYR 12 3HB TYR 12 19.384 -7.891 3.501 90 HD1 TYR 12 HD1 TYR 12 17.776 -7.628 6.829 91 HD2 TYR 12 HD2 TYR 12 17.795 -9.711 3.093 92 HE1 TYR 12 HE1 TYR 12 15.573 -8.580 7.342 93 HE2 TYR 12 HE2 TYR 12 15.582 -10.652 3.609 94 HH TYR 12 HH TYR 12 13.616 -9.461 6.044 95 H PHE 13 H PHE 13 21.158 -7.976 2.701 96 HA PHE 13 HA PHE 13 23.962 -7.499 2.915 97 HB2 PHE 13 2HB PHE 13 21.957 -6.467 0.851 98 HB3 PHE 13 3HB PHE 13 23.709 -6.453 0.666 99 HD1 PHE 13 HD1 PHE 13 24.962 -8.663 0.562 100 HD2 PHE 13 HD2 PHE 13 20.692 -8.447 0.341 101 HE1 PHE 13 HE1 PHE 13 24.884 -10.946 -0.348 102 HE2 PHE 13 HE2 PHE 13 20.627 -10.732 -0.573 103 HZ PHE 13 HZ PHE 13 22.721 -11.983 -0.914 104 H GLN 14 H GLN 14 25.114 -5.533 3.103 105 HA GLN 14 HA GLN 14 23.918 -3.429 4.660 106 HB2 GLN 14 2HB GLN 14 26.111 -2.340 4.612 107 HB3 GLN 14 3HB GLN 14 26.290 -4.055 4.948 108 HG2 GLN 14 2HG GLN 14 26.910 -4.420 2.555 109 HG3 GLN 14 3HG GLN 14 26.846 -2.676 2.310 110 HE21 GLN 14 1HE2 GLN 14 28.602 -5.289 3.813 111 HE22 GLN 14 2HE2 GLN 14 30.025 -4.383 4.184 112 H SER 15 H SER 15 24.128 -4.002 1.324 113 HA SER 15 HA SER 15 23.723 -1.477 0.186 114 HB2 SER 15 2HB SER 15 22.474 -4.141 -0.621 115 HB3 SER 15 3HB SER 15 22.674 -2.731 -1.666 116 HG SER 15 HG SER 15 24.913 -2.985 -1.515 117 H HIS 16 H HIS 16 21.831 -0.318 -0.214 118 HA HIS 16 HA HIS 16 19.854 -0.249 1.782 119 HB2 HIS 16 2HB HIS 16 18.786 1.530 0.458 120 HB3 HIS 16 3HB HIS 16 20.525 1.773 0.494 121 HD1 HIS 16 HD1 HIS 16 17.690 1.517 -1.774 122 HD2 HIS 16 HD2 HIS 16 21.815 1.044 -2.050 123 HE1 HIS 16 HE1 HIS 16 18.211 1.571 -4.230 124 HE2 HIS 16 HE2 HIS 16 20.668 1.063 -4.368 125 H MET 17 H MET 17 18.211 -1.634 2.061 126 HA MET 17 HA MET 17 17.273 -3.482 0.075 127 HB2 MET 17 2HB MET 17 16.190 -2.787 2.848 128 HB3 MET 17 3HB MET 17 15.537 -4.078 1.846 129 HG2 MET 17 2HG MET 17 18.366 -3.951 2.926 130 HG3 MET 17 3HG MET 17 17.059 -4.942 3.572 131 HE1 MET 17 1HE MET 17 15.617 -6.097 0.927 132 HE2 MET 17 2HE MET 17 16.045 -7.076 2.332 133 HE3 MET 17 3HE MET 17 16.529 -7.592 0.717 134 H THR 18 H THR 18 14.610 -3.615 0.142 135 HA THR 18 HA THR 18 13.743 -1.801 -1.759 136 HB THR 18 HB THR 18 12.681 -3.961 -1.527 137 HG1 THR 18 HG1 THR 18 11.299 -2.618 -2.514 138 HG21 THR 18 1HG2 THR 18 12.749 -4.245 0.920 139 HG22 THR 18 2HG2 THR 18 11.112 -4.498 0.312 140 HG23 THR 18 3HG2 THR 18 11.528 -2.984 1.111 141 H ASP 19 H ASP 19 13.118 0.225 -1.671 142 HA ASP 19 HA ASP 19 11.448 1.360 0.365 143 HB2 ASP 19 2HB ASP 19 13.617 1.729 1.469 144 HB3 ASP 19 3HB ASP 19 14.275 2.492 0.025 145 H GLU 20 H GLU 20 13.332 1.707 -2.608 146 HA GLU 20 HA GLU 20 12.373 4.161 -3.534 147 HB2 GLU 20 2HB GLU 20 14.265 2.961 -4.535 148 HB3 GLU 20 3HB GLU 20 13.189 1.694 -5.103 149 HG2 GLU 20 2HG GLU 20 13.731 3.047 -6.985 150 HG3 GLU 20 3HG GLU 20 12.064 3.409 -6.566 151 H LEU 21 H LEU 21 11.026 0.873 -4.130 152 HA LEU 21 HA LEU 21 8.665 1.699 -5.489 153 HB2 LEU 21 2HB LEU 21 9.507 -0.609 -5.583 154 HB3 LEU 21 3HB LEU 21 9.235 -0.833 -3.869 155 HG LEU 21 HG LEU 21 6.828 -0.208 -5.617 156 HD11 LEU 21 1HD1 LEU 21 6.489 -2.566 -6.187 157 HD12 LEU 21 2HD1 LEU 21 8.054 -2.981 -5.480 158 HD13 LEU 21 3HD1 LEU 21 7.973 -1.940 -6.902 159 HD21 LEU 21 1HD2 LEU 21 5.626 -1.686 -4.058 160 HD22 LEU 21 2HD2 LEU 21 6.466 -0.407 -3.189 161 HD23 LEU 21 3HD2 LEU 21 7.133 -2.040 -3.203 162 H LEU 22 H LEU 22 9.354 0.968 -2.086 163 HA LEU 22 HA LEU 22 6.757 1.123 -1.046 164 HB2 LEU 22 2HB LEU 22 9.370 1.697 0.388 165 HB3 LEU 22 3HB LEU 22 7.843 1.310 1.153 166 HG LEU 22 HG LEU 22 9.542 -0.571 -0.517 167 HD11 LEU 22 1HD1 LEU 22 8.892 -0.603 2.452 168 HD12 LEU 22 2HD1 LEU 22 10.423 -0.104 1.731 169 HD13 LEU 22 3HD1 LEU 22 9.890 -1.774 1.581 170 HD21 LEU 22 1HD2 LEU 22 6.865 -1.137 0.812 171 HD22 LEU 22 2HD2 LEU 22 7.923 -2.340 0.071 172 HD23 LEU 22 3HD2 LEU 22 7.186 -1.089 -0.924 173 H GLU 23 H GLU 23 9.120 3.615 -1.688 174 HA GLU 23 HA GLU 23 8.108 5.671 0.004 175 HB2 GLU 23 2HB GLU 23 10.463 5.643 -0.852 176 HB3 GLU 23 3HB GLU 23 9.868 5.892 -2.492 177 HG2 GLU 23 2HG GLU 23 10.670 8.008 -1.673 178 HG3 GLU 23 3HG GLU 23 8.915 8.107 -1.732 179 H ARG 24 H ARG 24 7.489 4.611 -3.279 180 HA ARG 24 HA ARG 24 5.902 6.814 -4.162 181 HB2 ARG 24 2HB ARG 24 5.656 3.936 -5.127 182 HB3 ARG 24 3HB ARG 24 5.264 5.405 -6.014 183 HG2 ARG 24 2HG ARG 24 7.762 5.974 -5.898 184 HG3 ARG 24 3HG ARG 24 8.003 4.322 -5.327 185 HD2 ARG 24 2HD ARG 24 8.384 4.387 -7.716 186 HD3 ARG 24 3HD ARG 24 6.888 3.491 -7.415 187 HE ARG 24 HE ARG 24 6.523 6.316 -7.899 188 HH11 ARG 24 1HH1 ARG 24 6.719 3.174 -9.487 189 HH12 ARG 24 2HH1 ARG 24 5.859 3.713 -10.896 190 HH21 ARG 24 1HH2 ARG 24 5.423 6.998 -9.717 191 HH22 ARG 24 2HH2 ARG 24 5.120 5.897 -11.027 192 H LEU 25 H LEU 25 5.303 3.974 -2.216 193 HA LEU 25 HA LEU 25 2.400 4.175 -2.235 194 HB2 LEU 25 2HB LEU 25 4.399 2.476 -0.698 195 HB3 LEU 25 3HB LEU 25 2.713 2.520 -0.218 196 HG LEU 25 HG LEU 25 3.082 0.552 -1.557 197 HD11 LEU 25 1HD1 LEU 25 1.411 0.838 -3.321 198 HD12 LEU 25 2HD1 LEU 25 1.523 2.592 -3.161 199 HD13 LEU 25 3HD1 LEU 25 0.917 1.616 -1.821 200 HD21 LEU 25 1HD2 LEU 25 4.110 2.324 -3.799 201 HD22 LEU 25 2HD2 LEU 25 3.833 0.582 -3.889 202 HD23 LEU 25 3HD2 LEU 25 5.076 1.218 -2.816 203 H ARG 26 H ARG 26 5.122 5.130 -0.227 204 HA ARG 26 HA ARG 26 3.761 5.963 2.089 205 HB2 ARG 26 2HB ARG 26 6.272 5.524 1.769 206 HB3 ARG 26 3HB ARG 26 6.386 7.119 1.038 207 HG2 ARG 26 2HG ARG 26 5.758 8.189 3.115 208 HG3 ARG 26 3HG ARG 26 5.365 6.637 3.859 209 HD2 ARG 26 2HD ARG 26 8.132 7.526 2.970 210 HD3 ARG 26 3HD ARG 26 7.550 7.492 4.635 211 HE ARG 26 HE ARG 26 7.346 5.016 4.360 212 HH11 ARG 26 1HH1 ARG 26 9.613 6.728 2.263 213 HH12 ARG 26 2HH1 ARG 26 10.611 5.327 2.020 214 HH21 ARG 26 1HH2 ARG 26 8.717 3.213 4.041 215 HH22 ARG 26 2HH2 ARG 26 10.111 3.360 3.012 216 H GLN 27 H GLN 27 4.973 7.821 -0.706 217 HA GLN 27 HA GLN 27 3.974 10.349 -0.070 218 HB2 GLN 27 2HB GLN 27 4.358 9.123 -2.840 219 HB3 GLN 27 3HB GLN 27 4.131 10.833 -2.519 220 HG2 GLN 27 2HG GLN 27 6.518 9.130 -1.808 221 HG3 GLN 27 3HG GLN 27 6.453 10.469 -2.941 222 HE21 GLN 27 1HE2 GLN 27 6.887 9.528 0.313 223 HE22 GLN 27 2HE2 GLN 27 7.147 11.103 0.974 224 H LEU 28 H LEU 28 2.495 7.677 -1.905 225 HA LEU 28 HA LEU 28 0.182 9.007 -2.787 226 HB2 LEU 28 2HB LEU 28 0.999 6.880 -3.771 227 HB3 LEU 28 3HB LEU 28 0.595 6.036 -2.283 228 HG LEU 28 HG LEU 28 -1.830 6.584 -2.663 229 HD11 LEU 28 1HD1 LEU 28 -1.612 8.597 -4.012 230 HD12 LEU 28 2HD1 LEU 28 -2.586 7.395 -4.852 231 HD13 LEU 28 3HD1 LEU 28 -0.912 7.670 -5.342 232 HD21 LEU 28 1HD2 LEU 28 -2.223 4.939 -4.426 233 HD22 LEU 28 2HD2 LEU 28 -0.936 4.405 -3.350 234 HD23 LEU 28 3HD2 LEU 28 -0.538 5.056 -4.942 235 H PHE 29 H PHE 29 0.687 6.905 0.077 236 HA PHE 29 HA PHE 29 -2.032 6.906 0.922 237 HB2 PHE 29 2HB PHE 29 0.481 6.309 2.540 238 HB3 PHE 29 3HB PHE 29 -1.157 5.965 3.075 239 HD1 PHE 29 HD1 PHE 29 -2.044 4.918 0.205 240 HD2 PHE 29 HD2 PHE 29 1.222 4.033 2.828 241 HE1 PHE 29 HE1 PHE 29 -1.857 2.669 -0.755 242 HE2 PHE 29 HE2 PHE 29 1.395 1.783 1.850 243 HZ PHE 29 HZ PHE 29 -0.147 1.101 0.063 244 H GLU 30 H GLU 30 0.829 8.812 1.892 245 HA GLU 30 HA GLU 30 -0.402 10.367 3.934 246 HB2 GLU 30 2HB GLU 30 2.031 10.963 2.196 247 HB3 GLU 30 3HB GLU 30 1.550 11.941 3.578 248 HG2 GLU 30 2HG GLU 30 1.904 10.048 5.089 249 HG3 GLU 30 3HG GLU 30 2.303 9.008 3.725 250 H GLU 31 H GLU 31 -0.275 10.691 0.459 251 HA GLU 31 HA GLU 31 -1.339 13.354 0.240 252 HB2 GLU 31 2HB GLU 31 0.048 12.335 -1.512 253 HB3 GLU 31 3HB GLU 31 -1.129 11.052 -1.757 254 HG2 GLU 31 2HG GLU 31 -2.739 12.670 -2.637 255 HG3 GLU 31 3HG GLU 31 -1.612 13.992 -2.326 256 H LEU 32 H LEU 32 -2.700 10.086 0.249 257 HA LEU 32 HA LEU 32 -5.430 10.928 -0.316 258 HB2 LEU 32 2HB LEU 32 -4.323 8.237 0.577 259 HB3 LEU 32 3HB LEU 32 -5.977 8.522 0.063 260 HG LEU 32 HG LEU 32 -3.519 8.786 -1.712 261 HD11 LEU 32 1HD1 LEU 32 -4.346 6.771 -2.865 262 HD12 LEU 32 2HD1 LEU 32 -5.632 6.610 -1.666 263 HD13 LEU 32 3HD1 LEU 32 -3.943 6.451 -1.179 264 HD21 LEU 32 1HD2 LEU 32 -6.443 9.060 -2.441 265 HD22 LEU 32 2HD2 LEU 32 -5.091 9.051 -3.575 266 HD23 LEU 32 3HD2 LEU 32 -5.245 10.356 -2.402 267 H HIS 33 H HIS 33 -3.429 10.556 2.450 268 HA HIS 33 HA HIS 33 -5.290 9.970 4.492 269 HB2 HIS 33 2HB HIS 33 -2.819 9.745 4.721 270 HB3 HIS 33 3HB HIS 33 -2.651 11.495 4.675 271 HD1 HIS 33 HD1 HIS 33 -2.679 12.635 6.914 272 HD2 HIS 33 HD2 HIS 33 -4.288 8.814 7.080 273 HE1 HIS 33 HE1 HIS 33 -3.109 12.188 9.346 274 HE2 HIS 33 HE2 HIS 33 -4.320 9.993 9.376 275 H GLU 34 H GLU 34 -4.554 12.938 2.804 276 HA GLU 34 HA GLU 34 -5.423 14.806 4.736 277 HB2 GLU 34 2HB GLU 34 -5.314 16.483 3.020 278 HB3 GLU 34 3HB GLU 34 -3.999 15.358 2.752 279 HG2 GLU 34 2HG GLU 34 -4.658 15.563 0.580 280 HG3 GLU 34 3HG GLU 34 -5.784 14.290 1.031 281 H ARG 35 H ARG 35 -7.218 12.811 2.451 282 HA ARG 35 HA ARG 35 -9.743 14.063 3.418 283 HB2 ARG 35 2HB ARG 35 -10.936 13.035 1.562 284 HB3 ARG 35 3HB ARG 35 -9.618 14.021 0.966 285 HG2 ARG 35 2HG ARG 35 -9.218 11.047 1.239 286 HG3 ARG 35 3HG ARG 35 -10.151 11.675 -0.116 287 HD2 ARG 35 2HD ARG 35 -7.267 12.355 0.544 288 HD3 ARG 35 3HD ARG 35 -7.838 11.331 -0.779 289 HE ARG 35 HE ARG 35 -8.841 14.066 -0.751 290 HH11 ARG 35 1HH1 ARG 35 -6.374 11.909 -2.059 291 HH12 ARG 35 2HH1 ARG 35 -6.017 12.951 -3.394 292 HH21 ARG 35 1HH2 ARG 35 -8.366 15.402 -2.482 293 HH22 ARG 35 2HH2 ARG 35 -7.151 14.946 -3.640 294 H GLY 36 H GLY 36 -7.738 11.297 3.669 295 HA2 GLY 36 2HA GLY 36 -7.887 9.313 4.792 296 HA3 GLY 36 3HA GLY 36 -9.193 10.036 5.720 297 H THR 37 H THR 37 -8.795 9.100 2.325 298 HA THR 37 HA THR 37 -11.513 8.214 2.029 299 HB THR 37 HB THR 37 -10.328 9.334 0.179 300 HG1 THR 37 HG1 THR 37 -11.714 8.236 -0.940 301 HG21 THR 37 1HG2 THR 37 -8.046 8.496 0.519 302 HG22 THR 37 2HG2 THR 37 -8.582 8.166 -1.130 303 HG23 THR 37 3HG2 THR 37 -8.558 6.870 0.064 304 H GLU 38 H GLU 38 -11.974 6.080 0.971 305 HA GLU 38 HA GLU 38 -11.180 3.855 2.534 306 HB2 GLU 38 2HB GLU 38 -12.497 2.551 0.731 307 HB3 GLU 38 3HB GLU 38 -13.386 3.774 1.629 308 HG2 GLU 38 2HG GLU 38 -13.269 5.324 -0.240 309 HG3 GLU 38 3HG GLU 38 -12.185 4.250 -1.116 310 H ILE 39 H ILE 39 -8.904 3.709 2.399 311 HA ILE 39 HA ILE 39 -7.598 3.143 -0.180 312 HB ILE 39 HB ILE 39 -6.349 3.407 2.610 313 HG12 ILE 39 2HG1 ILE 39 -6.380 5.513 0.394 314 HG13 ILE 39 3HG1 ILE 39 -7.434 5.546 1.799 315 HG21 ILE 39 1HG2 ILE 39 -4.198 3.653 1.402 316 HG22 ILE 39 2HG2 ILE 39 -5.028 3.386 -0.131 317 HG23 ILE 39 3HG2 ILE 39 -4.954 2.093 1.067 318 HD11 ILE 39 1HD1 ILE 39 -4.423 5.776 1.831 319 HD12 ILE 39 2HD1 ILE 39 -5.462 5.753 3.260 320 HD13 ILE 39 3HD1 ILE 39 -5.597 7.065 2.092 321 H VAL 40 H VAL 40 -7.800 1.067 -0.784 322 HA VAL 40 HA VAL 40 -7.532 -1.140 1.179 323 HB VAL 40 HB VAL 40 -8.664 -1.256 -1.674 324 HG11 VAL 40 1HG1 VAL 40 -7.670 -3.393 -0.995 325 HG12 VAL 40 2HG1 VAL 40 -9.425 -3.535 -1.066 326 HG13 VAL 40 3HG1 VAL 40 -8.616 -3.392 0.497 327 HG21 VAL 40 1HG2 VAL 40 -10.163 0.042 -0.217 328 HG22 VAL 40 2HG2 VAL 40 -10.185 -1.269 0.966 329 HG23 VAL 40 3HG2 VAL 40 -10.893 -1.511 -0.633 330 H VAL 41 H VAL 41 -5.391 -1.591 1.301 331 HA VAL 41 HA VAL 41 -3.640 -1.422 -1.057 332 HB VAL 41 HB VAL 41 -2.930 -2.091 1.853 333 HG11 VAL 41 1HG1 VAL 41 -0.629 -1.422 1.235 334 HG12 VAL 41 2HG1 VAL 41 -1.142 -1.180 -0.436 335 HG13 VAL 41 3HG1 VAL 41 -1.186 -2.794 0.275 336 HG21 VAL 41 1HG2 VAL 41 -2.879 0.627 0.488 337 HG22 VAL 41 2HG2 VAL 41 -2.278 0.278 2.112 338 HG23 VAL 41 3HG2 VAL 41 -3.998 0.115 1.756 339 H GLU 42 H GLU 42 -3.622 -3.221 -2.308 340 HA GLU 42 HA GLU 42 -3.829 -5.901 -1.065 341 HB2 GLU 42 2HB GLU 42 -5.869 -5.243 -2.361 342 HB3 GLU 42 3HB GLU 42 -4.876 -5.043 -3.799 343 HG2 GLU 42 2HG GLU 42 -4.279 -7.444 -3.728 344 HG3 GLU 42 3HG GLU 42 -5.277 -7.647 -2.287 345 H VAL 43 H VAL 43 -1.835 -6.702 -1.101 346 HA VAL 43 HA VAL 43 0.118 -6.162 -3.216 347 HB VAL 43 HB VAL 43 0.378 -7.954 -0.736 348 HG11 VAL 43 1HG1 VAL 43 2.544 -6.650 -2.421 349 HG12 VAL 43 2HG1 VAL 43 2.111 -8.361 -2.427 350 HG13 VAL 43 3HG1 VAL 43 2.799 -7.634 -0.977 351 HG21 VAL 43 1HG2 VAL 43 -0.253 -5.691 -0.017 352 HG22 VAL 43 2HG2 VAL 43 1.084 -5.002 -0.941 353 HG23 VAL 43 3HG2 VAL 43 1.414 -6.051 0.440 354 H HIS 44 H HIS 44 0.702 -7.712 -4.778 355 HA HIS 44 HA HIS 44 -0.498 -10.437 -4.660 356 HB2 HIS 44 2HB HIS 44 -0.193 -8.605 -7.092 357 HB3 HIS 44 3HB HIS 44 -0.542 -10.324 -7.227 358 HD1 HIS 44 HD1 HIS 44 -2.461 -8.125 -8.320 359 HD2 HIS 44 HD2 HIS 44 -2.876 -9.990 -4.638 360 HE1 HIS 44 HE1 HIS 44 -4.906 -7.994 -7.769 361 HE2 HIS 44 HE2 HIS 44 -5.136 -9.225 -5.600 362 H ILE 45 H ILE 45 1.172 -11.759 -4.215 363 HA ILE 45 HA ILE 45 3.666 -11.642 -5.794 364 HB ILE 45 HB ILE 45 3.585 -11.814 -2.740 365 HG12 ILE 45 2HG1 ILE 45 4.744 -9.690 -4.599 366 HG13 ILE 45 3HG1 ILE 45 3.352 -9.510 -3.541 367 HG21 ILE 45 1HG2 ILE 45 6.063 -11.985 -2.816 368 HG22 ILE 45 2HG2 ILE 45 6.003 -12.055 -4.578 369 HG23 ILE 45 3HG2 ILE 45 5.296 -13.357 -3.622 370 HD11 ILE 45 1HD1 ILE 45 5.256 -8.393 -2.626 371 HD12 ILE 45 2HD1 ILE 45 6.208 -9.876 -2.672 372 HD13 ILE 45 3HD1 ILE 45 4.810 -9.753 -1.603 373 H ASN 46 H ASN 46 3.655 -13.531 -6.811 374 HA ASN 46 HA ASN 46 3.410 -15.685 -7.420 375 HB2 ASN 46 2HB ASN 46 4.476 -16.082 -4.592 376 HB3 ASN 46 3HB ASN 46 4.342 -17.387 -5.763 377 HD21 ASN 46 1HD2 ASN 46 6.030 -14.476 -4.929 378 HD22 ASN 46 2HD2 ASN 46 7.325 -14.678 -6.043 379 H GLY 47 H GLY 47 0.993 -14.483 -6.505 380 HA2 GLY 47 2HA GLY 47 -1.151 -15.435 -6.748 381 HA3 GLY 47 3HA GLY 47 -0.578 -16.938 -6.042 382 H GLU 48 H GLU 48 0.754 -15.157 -3.856 383 HA GLU 48 HA GLU 48 -1.461 -15.277 -2.002 384 HB2 GLU 48 2HB GLU 48 1.429 -14.338 -1.613 385 HB3 GLU 48 3HB GLU 48 0.236 -14.436 -0.321 386 HG2 GLU 48 2HG GLU 48 0.047 -16.913 -0.824 387 HG3 GLU 48 3HG GLU 48 1.415 -16.715 -1.911 388 H ARG 49 H ARG 49 -2.909 -13.677 -1.858 389 HA ARG 49 HA ARG 49 -2.114 -10.906 -2.403 390 HB2 ARG 49 2HB ARG 49 -4.497 -10.345 -2.528 391 HB3 ARG 49 3HB ARG 49 -4.092 -11.626 -3.646 392 HG2 ARG 49 2HG ARG 49 -5.132 -12.612 -1.055 393 HG3 ARG 49 3HG ARG 49 -6.264 -11.608 -1.946 394 HD2 ARG 49 2HD ARG 49 -6.703 -13.879 -2.550 395 HD3 ARG 49 3HD ARG 49 -5.920 -13.122 -3.936 396 HE ARG 49 HE ARG 49 -4.065 -14.480 -3.634 397 HH11 ARG 49 1HH1 ARG 49 -6.315 -15.012 -0.966 398 HH12 ARG 49 2HH1 ARG 49 -5.502 -16.442 -0.416 399 HH21 ARG 49 1HH2 ARG 49 -3.023 -16.354 -2.888 400 HH22 ARG 49 2HH2 ARG 49 -3.641 -17.201 -1.500 401 H ASP 50 H ASP 50 -2.012 -9.421 -0.863 402 HA ASP 50 HA ASP 50 -2.884 -10.024 1.914 403 HB2 ASP 50 2HB ASP 50 -0.389 -9.768 1.628 404 HB3 ASP 50 3HB ASP 50 -0.657 -8.165 0.964 405 H GLU 51 H GLU 51 -4.717 -8.887 2.320 406 HA GLU 51 HA GLU 51 -5.272 -6.397 0.794 407 HB2 GLU 51 2HB GLU 51 -6.642 -8.302 0.035 408 HB3 GLU 51 3HB GLU 51 -7.222 -8.577 1.675 409 HG2 GLU 51 2HG GLU 51 -8.282 -6.313 1.640 410 HG3 GLU 51 3HG GLU 51 -7.762 -6.120 -0.034 411 H ILE 52 H ILE 52 -5.187 -4.705 2.124 412 HA ILE 52 HA ILE 52 -6.207 -4.901 4.908 413 HB ILE 52 HB ILE 52 -4.095 -2.896 3.959 414 HG12 ILE 52 2HG1 ILE 52 -3.440 -5.488 5.447 415 HG13 ILE 52 3HG1 ILE 52 -3.288 -5.324 3.701 416 HG21 ILE 52 1HG2 ILE 52 -3.641 -2.665 6.397 417 HG22 ILE 52 2HG2 ILE 52 -4.910 -3.840 6.745 418 HG23 ILE 52 3HG2 ILE 52 -5.322 -2.291 6.008 419 HD11 ILE 52 1HD1 ILE 52 -1.650 -3.546 4.001 420 HD12 ILE 52 2HD1 ILE 52 -1.157 -5.041 4.793 421 HD13 ILE 52 3HD1 ILE 52 -1.791 -3.706 5.754 422 H ARG 53 H ARG 53 -8.187 -3.962 4.808 423 HA ARG 53 HA ARG 53 -8.740 -1.658 3.074 424 HB2 ARG 53 2HB ARG 53 -10.642 -3.361 4.757 425 HB3 ARG 53 3HB ARG 53 -11.104 -2.133 3.581 426 HG2 ARG 53 2HG ARG 53 -10.032 -3.514 1.791 427 HG3 ARG 53 3HG ARG 53 -9.714 -4.757 2.999 428 HD2 ARG 53 2HD ARG 53 -12.134 -5.031 3.377 429 HD3 ARG 53 3HD ARG 53 -12.468 -3.756 2.193 430 HE ARG 53 HE ARG 53 -10.899 -6.033 1.290 431 HH11 ARG 53 1HH1 ARG 53 -14.081 -4.536 1.369 432 HH12 ARG 53 2HH1 ARG 53 -14.682 -5.480 0.041 433 HH21 ARG 53 1HH2 ARG 53 -11.680 -7.265 -0.416 434 HH22 ARG 53 2HH2 ARG 53 -13.311 -7.035 -0.976 435 H VAL 54 H VAL 54 -8.151 0.165 3.995 436 HA VAL 54 HA VAL 54 -8.983 0.864 6.750 437 HB VAL 54 HB VAL 54 -6.952 2.304 6.933 438 HG11 VAL 54 1HG1 VAL 54 -5.290 0.535 7.350 439 HG12 VAL 54 2HG1 VAL 54 -6.272 -0.620 6.442 440 HG13 VAL 54 3HG1 VAL 54 -6.886 0.073 7.946 441 HG21 VAL 54 1HG2 VAL 54 -6.026 0.986 4.348 442 HG22 VAL 54 2HG2 VAL 54 -5.051 2.050 5.366 443 HG23 VAL 54 3HG2 VAL 54 -6.481 2.679 4.549 444 H ARG 55 H ARG 55 -9.630 3.084 7.007 445 HA ARG 55 HA ARG 55 -9.981 4.638 4.490 446 HB2 ARG 55 2HB ARG 55 -11.822 4.648 6.931 447 HB3 ARG 55 3HB ARG 55 -11.956 5.744 5.560 448 HG2 ARG 55 2HG ARG 55 -12.374 3.794 4.067 449 HG3 ARG 55 3HG ARG 55 -12.320 2.748 5.483 450 HD2 ARG 55 2HD ARG 55 -14.643 3.286 4.787 451 HD3 ARG 55 3HD ARG 55 -14.292 3.839 6.428 452 HE ARG 55 HE ARG 55 -13.751 5.978 4.755 453 HH11 ARG 55 1HH1 ARG 55 -16.641 4.101 5.567 454 HH12 ARG 55 2HH1 ARG 55 -17.719 5.428 5.258 455 HH21 ARG 55 1HH2 ARG 55 -15.176 7.680 4.373 456 HH22 ARG 55 2HH2 ARG 55 -16.888 7.452 4.587 457 H ASN 56 H ASN 56 -10.260 5.471 7.957 458 HA ASN 56 HA ASN 56 -8.641 7.884 7.403 459 HB2 ASN 56 2HB ASN 56 -11.243 7.782 8.285 460 HB3 ASN 56 3HB ASN 56 -10.417 7.773 9.835 461 HD21 ASN 56 1HD2 ASN 56 -10.976 9.560 6.893 462 HD22 ASN 56 2HD2 ASN 56 -10.461 11.109 7.488 463 H ILE 57 H ILE 57 -7.098 5.897 7.683 464 HA ILE 57 HA ILE 57 -6.156 5.313 10.330 465 HB ILE 57 HB ILE 57 -3.911 4.743 8.921 466 HG12 ILE 57 2HG1 ILE 57 -4.471 3.913 6.607 467 HG13 ILE 57 3HG1 ILE 57 -6.063 4.648 6.740 468 HG21 ILE 57 1HG2 ILE 57 -6.397 3.007 8.847 469 HG22 ILE 57 2HG2 ILE 57 -5.220 3.108 10.160 470 HG23 ILE 57 3HG2 ILE 57 -4.738 2.457 8.594 471 HD11 ILE 57 1HD1 ILE 57 -5.039 6.861 6.782 472 HD12 ILE 57 2HD1 ILE 57 -4.532 5.948 5.360 473 HD13 ILE 57 3HD1 ILE 57 -3.433 6.130 6.725 474 H SER 58 H SER 58 -3.551 5.793 10.560 475 HA SER 58 HA SER 58 -3.391 8.743 10.774 476 HB2 SER 58 2HB SER 58 -1.795 6.634 12.293 477 HB3 SER 58 3HB SER 58 -1.939 8.350 12.676 478 HG SER 58 HG SER 58 -4.078 6.486 12.657 479 H LYS 59 H LYS 59 -0.957 9.501 10.767 480 HA LYS 59 HA LYS 59 -0.230 9.200 7.995 481 HB2 LYS 59 2HB LYS 59 1.251 11.108 8.287 482 HB3 LYS 59 3HB LYS 59 -0.302 11.442 9.026 483 HG2 LYS 59 2HG LYS 59 2.126 10.566 10.615 484 HG3 LYS 59 3HG LYS 59 1.738 12.254 10.297 485 HD2 LYS 59 2HD LYS 59 -0.454 11.924 11.474 486 HD3 LYS 59 3HD LYS 59 0.036 10.272 11.859 487 HE2 LYS 59 2HE LYS 59 0.422 11.752 13.767 488 HE3 LYS 59 3HE LYS 59 1.962 11.157 13.145 489 HZ1 LYS 59 1HZ LYS 59 1.994 13.535 13.675 490 HZ2 LYS 59 2HZ LYS 59 0.791 13.820 12.521 491 HZ3 LYS 59 3HZ LYS 59 2.309 13.251 12.039 492 H GLU 60 H GLU 60 1.403 8.289 11.036 493 HA GLU 60 HA GLU 60 3.664 7.116 9.584 494 HB2 GLU 60 2HB GLU 60 4.605 6.497 11.721 495 HB3 GLU 60 3HB GLU 60 4.058 8.159 11.820 496 HG2 GLU 60 2HG GLU 60 2.453 5.828 12.905 497 HG3 GLU 60 3HG GLU 60 3.630 6.708 13.858 498 H GLU 61 H GLU 61 0.656 6.187 11.014 499 HA GLU 61 HA GLU 61 1.017 3.381 11.158 500 HB2 GLU 61 2HB GLU 61 -0.655 4.578 12.451 501 HB3 GLU 61 3HB GLU 61 -1.481 5.093 10.988 502 HG2 GLU 61 2HG GLU 61 -2.139 2.767 10.525 503 HG3 GLU 61 3HG GLU 61 -1.260 2.225 11.957 504 H LEU 62 H LEU 62 -0.026 5.474 8.504 505 HA LEU 62 HA LEU 62 -0.869 3.335 6.777 506 HB2 LEU 62 2HB LEU 62 -0.806 5.044 4.956 507 HB3 LEU 62 3HB LEU 62 -1.785 5.481 6.338 508 HG LEU 62 HG LEU 62 0.236 6.911 7.111 509 HD11 LEU 62 1HD1 LEU 62 1.952 6.034 5.604 510 HD12 LEU 62 2HD1 LEU 62 1.734 7.764 5.387 511 HD13 LEU 62 3HD1 LEU 62 1.062 6.640 4.208 512 HD21 LEU 62 1HD2 LEU 62 -1.859 7.874 6.334 513 HD22 LEU 62 2HD2 LEU 62 -1.323 7.748 4.656 514 HD23 LEU 62 3HD2 LEU 62 -0.488 8.830 5.774 515 H LYS 63 H LYS 63 2.190 4.622 7.663 516 HA LYS 63 HA LYS 63 3.701 3.550 5.478 517 HB2 LYS 63 2HB LYS 63 4.631 4.372 8.260 518 HB3 LYS 63 3HB LYS 63 5.684 4.029 6.888 519 HG2 LYS 63 2HG LYS 63 4.716 5.898 5.632 520 HG3 LYS 63 3HG LYS 63 3.600 6.233 6.958 521 HD2 LYS 63 2HD LYS 63 5.560 6.750 8.425 522 HD3 LYS 63 3HD LYS 63 6.629 6.493 7.041 523 HE2 LYS 63 2HE LYS 63 5.449 8.327 5.827 524 HE3 LYS 63 3HE LYS 63 4.452 8.601 7.259 525 HZ1 LYS 63 1HZ LYS 63 6.315 10.139 7.099 526 HZ2 LYS 63 2HZ LYS 63 7.407 8.859 7.166 527 HZ3 LYS 63 3HZ LYS 63 6.417 9.191 8.496 528 H LYS 64 H LYS 64 2.254 2.200 8.316 529 HA LYS 64 HA LYS 64 3.702 -0.253 8.353 530 HB2 LYS 64 2HB LYS 64 0.802 0.274 9.151 531 HB3 LYS 64 3HB LYS 64 1.713 -1.182 9.532 532 HG2 LYS 64 2HG LYS 64 2.328 1.613 10.545 533 HG3 LYS 64 3HG LYS 64 1.564 0.328 11.473 534 HD2 LYS 64 2HD LYS 64 4.427 0.396 10.446 535 HD3 LYS 64 3HD LYS 64 3.896 0.489 12.124 536 HE2 LYS 64 2HE LYS 64 3.765 -1.915 10.283 537 HE3 LYS 64 3HE LYS 64 4.724 -1.735 11.745 538 HZ1 LYS 64 1HZ LYS 64 2.753 -3.106 12.063 539 HZ2 LYS 64 2HZ LYS 64 1.762 -1.802 11.655 540 HZ3 LYS 64 3HZ LYS 64 2.723 -1.734 13.048 541 H LEU 65 H LEU 65 1.067 1.021 6.331 542 HA LEU 65 HA LEU 65 0.136 -1.394 5.167 543 HB2 LEU 65 2HB LEU 65 0.248 1.399 3.957 544 HB3 LEU 65 3HB LEU 65 -0.702 0.080 3.311 545 HG LEU 65 HG LEU 65 -1.156 1.348 6.037 546 HD11 LEU 65 1HD1 LEU 65 -2.748 1.766 3.488 547 HD12 LEU 65 2HD1 LEU 65 -1.654 2.938 4.224 548 HD13 LEU 65 3HD1 LEU 65 -3.114 2.444 5.078 549 HD21 LEU 65 1HD2 LEU 65 -2.831 -0.669 4.520 550 HD22 LEU 65 2HD2 LEU 65 -3.277 0.103 6.045 551 HD23 LEU 65 3HD2 LEU 65 -1.886 -0.977 5.981 552 H LEU 66 H LEU 66 2.852 0.730 4.313 553 HA LEU 66 HA LEU 66 3.506 -0.769 1.908 554 HB2 LEU 66 2HB LEU 66 5.257 0.851 1.525 555 HB3 LEU 66 3HB LEU 66 3.762 1.667 1.930 556 HG LEU 66 HG LEU 66 4.855 1.697 4.393 557 HD11 LEU 66 1HD1 LEU 66 7.366 1.840 2.713 558 HD12 LEU 66 2HD1 LEU 66 6.908 0.446 3.688 559 HD13 LEU 66 3HD1 LEU 66 7.222 1.991 4.462 560 HD21 LEU 66 1HD2 LEU 66 5.597 3.672 2.232 561 HD22 LEU 66 2HD2 LEU 66 5.684 3.955 3.974 562 HD23 LEU 66 3HD2 LEU 66 4.125 3.674 3.206 563 H GLU 67 H GLU 67 4.682 -0.622 5.278 564 HA GLU 67 HA GLU 67 6.965 -2.302 4.688 565 HB2 GLU 67 2HB GLU 67 7.463 -2.348 7.023 566 HB3 GLU 67 3HB GLU 67 6.872 -0.739 6.668 567 HG2 GLU 67 2HG GLU 67 5.849 -1.131 8.675 568 HG3 GLU 67 3HG GLU 67 4.600 -1.638 7.549 569 H ARG 68 H ARG 68 3.609 -2.876 5.280 570 HA ARG 68 HA ARG 68 3.741 -5.700 5.651 571 HB2 ARG 68 2HB ARG 68 1.481 -3.940 4.637 572 HB3 ARG 68 3HB ARG 68 1.319 -5.671 4.888 573 HG2 ARG 68 2HG ARG 68 2.361 -4.540 7.339 574 HG3 ARG 68 3HG ARG 68 1.008 -3.541 6.815 575 HD2 ARG 68 2HD ARG 68 0.231 -5.253 8.329 576 HD3 ARG 68 3HD ARG 68 -0.418 -5.565 6.716 577 HE ARG 68 HE ARG 68 2.022 -6.974 7.582 578 HH11 ARG 68 1HH1 ARG 68 -1.401 -7.161 6.750 579 HH12 ARG 68 2HH1 ARG 68 -1.396 -8.890 6.655 580 HH21 ARG 68 1HH2 ARG 68 1.997 -9.226 7.488 581 HH22 ARG 68 2HH2 ARG 68 0.523 -10.061 7.074 582 H ILE 69 H ILE 69 4.214 -3.702 2.879 583 HA ILE 69 HA ILE 69 3.890 -5.834 0.916 584 HB ILE 69 HB ILE 69 5.289 -3.116 0.610 585 HG12 ILE 69 2HG1 ILE 69 2.413 -3.771 -0.176 586 HG13 ILE 69 3HG1 ILE 69 2.855 -2.940 1.309 587 HG21 ILE 69 1HG2 ILE 69 4.945 -3.410 -1.816 588 HG22 ILE 69 2HG2 ILE 69 4.242 -5.003 -1.536 589 HG23 ILE 69 3HG2 ILE 69 5.939 -4.707 -1.150 590 HD11 ILE 69 1HD1 ILE 69 3.359 -1.936 -1.489 591 HD12 ILE 69 2HD1 ILE 69 3.826 -1.120 0.004 592 HD13 ILE 69 3HD1 ILE 69 2.122 -1.372 -0.364 593 H ARG 70 H ARG 70 6.597 -4.104 2.545 594 HA ARG 70 HA ARG 70 8.670 -5.331 1.040 595 HB2 ARG 70 2HB ARG 70 10.270 -4.353 2.512 596 HB3 ARG 70 3HB ARG 70 8.973 -3.191 2.308 597 HG2 ARG 70 2HG ARG 70 8.155 -3.580 4.528 598 HG3 ARG 70 3HG ARG 70 9.184 -4.995 4.728 599 HD2 ARG 70 2HD ARG 70 10.212 -2.147 4.412 600 HD3 ARG 70 3HD ARG 70 10.040 -3.003 5.950 601 HE ARG 70 HE ARG 70 11.566 -4.700 4.529 602 HH11 ARG 70 1HH1 ARG 70 11.943 -1.249 5.156 603 HH12 ARG 70 2HH1 ARG 70 13.680 -1.315 5.061 604 HH21 ARG 70 1HH2 ARG 70 13.826 -4.773 4.433 605 HH22 ARG 70 2HH2 ARG 70 14.737 -3.301 4.653 606 H GLU 71 H GLU 71 7.150 -6.195 4.116 607 HA GLU 71 HA GLU 71 8.888 -8.245 4.937 608 HB2 GLU 71 2HB GLU 71 6.993 -9.101 6.282 609 HB3 GLU 71 3HB GLU 71 7.147 -7.355 6.431 610 HG2 GLU 71 2HG GLU 71 5.261 -6.997 4.951 611 HG3 GLU 71 3HG GLU 71 5.174 -8.710 4.574 612 H LYS 72 H LYS 72 6.336 -8.151 2.507 613 HA LYS 72 HA LYS 72 6.076 -11.004 2.204 614 HB2 LYS 72 2HB LYS 72 5.156 -8.817 0.294 615 HB3 LYS 72 3HB LYS 72 4.659 -10.501 0.258 616 HG2 LYS 72 2HG LYS 72 3.919 -8.378 2.266 617 HG3 LYS 72 3HG LYS 72 2.854 -9.279 1.193 618 HD2 LYS 72 2HD LYS 72 3.545 -11.370 2.530 619 HD3 LYS 72 3HD LYS 72 4.268 -10.248 3.689 620 HE2 LYS 72 2HE LYS 72 1.332 -10.335 2.896 621 HE3 LYS 72 3HE LYS 72 2.015 -10.945 4.401 622 HZ1 LYS 72 1HZ LYS 72 0.989 -8.772 4.672 623 HZ2 LYS 72 2HZ LYS 72 2.040 -8.105 3.530 624 HZ3 LYS 72 3HZ LYS 72 2.647 -8.700 4.992 625 H ILE 73 H ILE 73 7.717 -8.384 0.322 626 HA ILE 73 HA ILE 73 8.692 -10.177 -1.697 627 HB ILE 73 HB ILE 73 10.040 -8.404 -2.613 628 HG12 ILE 73 2HG1 ILE 73 9.918 -6.042 -1.248 629 HG13 ILE 73 3HG1 ILE 73 9.921 -7.144 0.122 630 HG21 ILE 73 1HG2 ILE 73 7.656 -8.219 -3.037 631 HG22 ILE 73 2HG2 ILE 73 8.381 -6.615 -2.948 632 HG23 ILE 73 3HG2 ILE 73 7.439 -7.232 -1.589 633 HD11 ILE 73 1HD1 ILE 73 12.027 -6.985 -2.042 634 HD12 ILE 73 2HD1 ILE 73 12.059 -8.090 -0.666 635 HD13 ILE 73 3HD1 ILE 73 12.160 -6.351 -0.404 636 H GLU 74 H GLU 74 9.917 -9.307 1.461 637 HA GLU 74 HA GLU 74 12.617 -10.284 1.023 638 HB2 GLU 74 2HB GLU 74 11.207 -9.317 3.549 639 HB3 GLU 74 3HB GLU 74 12.881 -9.870 3.514 640 HG2 GLU 74 2HG GLU 74 13.454 -8.074 1.916 641 HG3 GLU 74 3HG GLU 74 11.781 -7.519 1.940 642 H ARG 75 H ARG 75 9.718 -11.470 2.817 643 HA ARG 75 HA ARG 75 10.904 -13.896 3.726 644 HB2 ARG 75 2HB ARG 75 8.623 -14.742 4.134 645 HB3 ARG 75 3HB ARG 75 8.753 -13.078 4.685 646 HG2 ARG 75 2HG ARG 75 7.564 -12.294 2.697 647 HG3 ARG 75 3HG ARG 75 7.496 -13.934 2.061 648 HD2 ARG 75 2HD ARG 75 6.203 -13.119 4.684 649 HD3 ARG 75 3HD ARG 75 5.362 -13.064 3.136 650 HE ARG 75 HE ARG 75 6.096 -15.429 4.661 651 HH11 ARG 75 1HH1 ARG 75 4.898 -14.229 1.558 652 HH12 ARG 75 2HH1 ARG 75 4.241 -15.764 1.092 653 HH21 ARG 75 1HH2 ARG 75 5.278 -17.427 3.993 654 HH22 ARG 75 2HH2 ARG 75 4.456 -17.565 2.464 655 H GLU 76 H GLU 76 9.381 -12.951 0.717 656 HA GLU 76 HA GLU 76 9.200 -15.611 -0.379 657 HB2 GLU 76 2HB GLU 76 7.671 -13.641 -0.936 658 HB3 GLU 76 3HB GLU 76 9.008 -12.945 -1.844 659 HG2 GLU 76 2HG GLU 76 7.539 -14.040 -3.382 660 HG3 GLU 76 3HG GLU 76 9.026 -14.972 -3.289 661 H GLY 77 H GLY 77 11.143 -12.708 -1.100 662 HA2 GLY 77 2HA GLY 77 13.374 -12.572 -1.809 663 HA3 GLY 77 3HA GLY 77 13.374 -14.291 -2.173 664 H SER 78 H SER 78 10.570 -13.217 -3.460 665 HA SER 78 HA SER 78 11.624 -13.160 -6.174 666 HB2 SER 78 2HB SER 78 8.749 -13.144 -5.144 667 HB3 SER 78 3HB SER 78 9.229 -13.314 -6.835 668 HG SER 78 HG SER 78 10.574 -15.132 -5.489 669 H SER 79 H SER 79 11.213 -11.542 -7.663 670 HA SER 79 HA SER 79 10.912 -8.806 -6.679 671 HB2 SER 79 2HB SER 79 12.741 -9.459 -8.294 672 HB3 SER 79 3HB SER 79 11.509 -9.809 -9.505 673 HG SER 79 HG SER 79 10.844 -7.547 -9.178 674 H GLU 80 H GLU 80 8.916 -11.266 -7.948 675 HA GLU 80 HA GLU 80 7.064 -9.702 -9.463 676 HB2 GLU 80 2HB GLU 80 7.323 -12.176 -9.749 677 HB3 GLU 80 3HB GLU 80 6.654 -12.425 -8.139 678 HG2 GLU 80 2HG GLU 80 4.529 -11.316 -8.918 679 HG3 GLU 80 3HG GLU 80 5.218 -11.241 -10.538 680 H VAL 81 H VAL 81 6.466 -7.945 -8.243 681 HA VAL 81 HA VAL 81 4.518 -8.440 -6.092 682 HB VAL 81 HB VAL 81 6.513 -7.669 -4.917 683 HG11 VAL 81 1HG1 VAL 81 7.716 -6.577 -6.741 684 HG12 VAL 81 2HG1 VAL 81 7.610 -5.516 -5.335 685 HG13 VAL 81 3HG1 VAL 81 6.562 -5.240 -6.728 686 HG21 VAL 81 1HG2 VAL 81 4.355 -6.846 -4.065 687 HG22 VAL 81 2HG2 VAL 81 4.479 -5.409 -5.080 688 HG23 VAL 81 3HG2 VAL 81 5.631 -5.665 -3.767 689 H GLU 82 H GLU 82 2.655 -7.429 -6.405 690 HA GLU 82 HA GLU 82 2.458 -5.045 -8.145 691 HB2 GLU 82 2HB GLU 82 1.795 -7.025 -9.466 692 HB3 GLU 82 3HB GLU 82 0.632 -7.492 -8.229 693 HG2 GLU 82 2HG GLU 82 -0.629 -5.395 -8.648 694 HG3 GLU 82 3HG GLU 82 0.514 -4.963 -9.919 695 H VAL 83 H VAL 83 1.912 -3.537 -6.675 696 HA VAL 83 HA VAL 83 0.039 -4.146 -4.479 697 HB VAL 83 HB VAL 83 1.638 -1.565 -4.925 698 HG11 VAL 83 1HG1 VAL 83 1.188 -1.182 -2.518 699 HG12 VAL 83 2HG1 VAL 83 0.236 -2.666 -2.455 700 HG13 VAL 83 3HG1 VAL 83 -0.305 -1.312 -3.448 701 HG21 VAL 83 1HG2 VAL 83 3.209 -3.459 -4.721 702 HG22 VAL 83 2HG2 VAL 83 2.439 -3.955 -3.213 703 HG23 VAL 83 3HG2 VAL 83 3.291 -2.411 -3.302 704 H ASN 84 H ASN 84 -2.024 -3.870 -5.103 705 HA ASN 84 HA ASN 84 -2.822 -1.678 -6.896 706 HB2 ASN 84 2HB ASN 84 -4.427 -4.069 -5.874 707 HB3 ASN 84 3HB ASN 84 -4.967 -2.899 -7.069 708 HD21 ASN 84 1HD2 ASN 84 -2.252 -2.901 -8.399 709 HD22 ASN 84 2HD2 ASN 84 -2.223 -4.385 -9.278 710 H VAL 85 H VAL 85 -3.076 0.124 -5.719 711 HA VAL 85 HA VAL 85 -4.378 0.086 -3.079 712 HB VAL 85 HB VAL 85 -3.122 2.427 -4.607 713 HG11 VAL 85 1HG1 VAL 85 -4.044 2.284 -1.708 714 HG12 VAL 85 2HG1 VAL 85 -4.818 3.201 -3.001 715 HG13 VAL 85 3HG1 VAL 85 -3.202 3.646 -2.454 716 HG21 VAL 85 1HG2 VAL 85 -1.441 0.730 -4.026 717 HG22 VAL 85 2HG2 VAL 85 -1.954 0.774 -2.337 718 HG23 VAL 85 3HG2 VAL 85 -1.208 2.196 -3.071 719 H HIS 86 H HIS 86 -6.528 0.003 -3.249 720 HA HIS 86 HA HIS 86 -7.962 1.289 -5.484 721 HB2 HIS 86 2HB HIS 86 -9.167 -0.528 -3.331 722 HB3 HIS 86 3HB HIS 86 -9.802 -0.179 -4.935 723 HD1 HIS 86 HD1 HIS 86 -8.938 -1.651 -6.884 724 HD2 HIS 86 HD2 HIS 86 -7.082 -2.472 -3.257 725 HE1 HIS 86 HE1 HIS 86 -7.709 -3.813 -7.219 726 HE2 HIS 86 HE2 HIS 86 -6.772 -4.382 -4.963 727 H SER 87 H SER 87 -8.565 3.409 -5.003 728 HA SER 87 HA SER 87 -9.650 4.028 -2.334 729 HB2 SER 87 2HB SER 87 -7.493 5.731 -3.639 730 HB3 SER 87 3HB SER 87 -8.268 6.024 -2.085 731 HG SER 87 HG SER 87 -7.394 3.706 -1.721 732 H GLY 88 H GLY 88 -11.655 4.508 -2.856 733 HA2 GLY 88 2HA GLY 88 -13.441 5.789 -3.469 734 HA3 GLY 88 3HA GLY 88 -12.302 7.052 -3.899 735 H GLY 89 H GLY 89 -12.368 3.844 -5.360 736 HA2 GLY 89 2HA GLY 89 -13.476 3.182 -7.367 737 HA3 GLY 89 3HA GLY 89 -13.643 4.867 -7.831 738 H GLN 90 H GLN 90 -10.609 4.981 -6.869 739 HA GLN 90 HA GLN 90 -9.472 4.410 -9.521 740 HB2 GLN 90 2HB GLN 90 -8.221 5.792 -7.096 741 HB3 GLN 90 3HB GLN 90 -7.490 5.660 -8.694 742 HG2 GLN 90 2HG GLN 90 -9.275 7.037 -9.653 743 HG3 GLN 90 3HG GLN 90 -10.054 7.144 -8.072 744 HE21 GLN 90 1HE2 GLN 90 -9.012 8.382 -6.423 745 HE22 GLN 90 2HE2 GLN 90 -7.847 9.592 -6.817 746 H THR 91 H THR 91 -7.512 3.151 -9.763 747 HA THR 91 HA THR 91 -6.506 1.678 -7.434 748 HB THR 91 HB THR 91 -7.295 0.281 -10.039 749 HG1 THR 91 HG1 THR 91 -8.937 0.742 -8.315 750 HG21 THR 91 1HG2 THR 91 -6.485 -1.795 -8.949 751 HG22 THR 91 2HG2 THR 91 -5.915 -0.860 -7.568 752 HG23 THR 91 3HG2 THR 91 -5.167 -0.640 -9.151 753 H TRP 92 H TRP 92 -4.445 2.309 -7.338 754 HA TRP 92 HA TRP 92 -2.801 2.785 -9.728 755 HB2 TRP 92 2HB TRP 92 -2.192 3.054 -6.747 756 HB3 TRP 92 3HB TRP 92 -1.058 3.453 -8.032 757 HD1 TRP 92 HD1 TRP 92 -1.449 5.784 -9.332 758 HE1 TRP 92 HE1 TRP 92 -2.859 7.857 -8.764 759 HE3 TRP 92 HE3 TRP 92 -4.440 3.779 -5.712 760 HZ2 TRP 92 HZ2 TRP 92 -4.955 8.558 -7.012 761 HZ3 TRP 92 HZ3 TRP 92 -6.120 5.204 -4.641 762 HH2 TRP 92 HH2 TRP 92 -6.382 7.553 -5.272 763 H THR 93 H THR 93 -1.505 1.190 -10.559 764 HA THR 93 HA THR 93 -0.971 -1.266 -8.991 765 HB THR 93 HB THR 93 -0.395 -2.309 -11.202 766 HG1 THR 93 HG1 THR 93 0.208 -0.497 -12.413 767 HG21 THR 93 1HG2 THR 93 -2.686 -2.408 -12.128 768 HG22 THR 93 2HG2 THR 93 -3.146 -1.007 -11.156 769 HG23 THR 93 3HG2 THR 93 -2.707 -2.522 -10.367 770 H PHE 94 H PHE 94 0.917 -1.039 -7.873 771 HA PHE 94 HA PHE 94 3.288 0.209 -9.107 772 HB2 PHE 94 2HB PHE 94 2.731 -0.599 -6.211 773 HB3 PHE 94 3HB PHE 94 4.255 0.079 -6.774 774 HD1 PHE 94 HD1 PHE 94 4.428 2.452 -7.388 775 HD2 PHE 94 HD2 PHE 94 0.732 0.812 -5.992 776 HE1 PHE 94 HE1 PHE 94 3.557 4.719 -7.014 777 HE2 PHE 94 HE2 PHE 94 -0.124 3.083 -5.619 778 HZ PHE 94 HZ PHE 94 1.281 5.039 -6.132 779 H ASN 95 H ASN 95 4.353 -1.222 -10.318 780 HA ASN 95 HA ASN 95 4.923 -3.956 -9.349 781 HB2 ASN 95 2HB ASN 95 5.448 -2.635 -12.055 782 HB3 ASN 95 3HB ASN 95 5.870 -4.296 -11.653 783 HD21 ASN 95 1HD2 ASN 95 3.465 -4.957 -10.191 784 HD22 ASN 95 2HD2 ASN 95 2.184 -5.034 -11.346 785 H GLU 96 H GLU 96 7.136 -4.710 -9.356 786 HA GLU 96 HA GLU 96 9.028 -2.957 -8.208 787 HB2 GLU 96 2HB GLU 96 8.794 -5.688 -8.317 788 HB3 GLU 96 3HB GLU 96 10.049 -5.465 -9.520 789 HG2 GLU 96 2HG GLU 96 10.148 -4.640 -6.606 790 HG3 GLU 96 3HG GLU 96 11.044 -5.953 -7.357 791 H LYS 97 H LYS 97 10.669 -1.748 -9.109 792 HA LYS 97 HA LYS 97 10.611 -1.443 -12.047 793 HB2 LYS 97 2HB LYS 97 11.563 0.885 -11.553 794 HB3 LYS 97 3HB LYS 97 9.896 0.601 -11.084 795 HG2 LYS 97 2HG LYS 97 10.507 0.420 -8.747 796 HG3 LYS 97 3HG LYS 97 12.225 0.495 -9.136 797 HD2 LYS 97 2HD LYS 97 10.211 2.742 -9.589 798 HD3 LYS 97 3HD LYS 97 11.379 2.662 -8.269 799 HE2 LYS 97 2HE LYS 97 13.243 2.810 -9.849 800 HE3 LYS 97 3HE LYS 97 12.127 2.750 -11.214 801 HZ1 LYS 97 1HZ LYS 97 12.786 5.000 -10.851 802 HZ2 LYS 97 2HZ LYS 97 12.369 4.933 -9.214 803 HZ3 LYS 97 3HZ LYS 97 11.160 4.859 -10.394 Start of MODEL 17 1 H1 MET 1 1H MET 1 14.420 -15.529 -17.890 2 H2 MET 1 2H MET 1 13.899 -16.931 -17.108 3 H3 MET 1 3H MET 1 14.523 -17.025 -18.670 4 HA MET 1 HA MET 1 16.685 -16.383 -17.924 5 HB2 MET 1 2HB MET 1 15.467 -16.387 -15.121 6 HB3 MET 1 3HB MET 1 17.173 -16.154 -15.491 7 HG2 MET 1 2HG MET 1 16.175 -14.032 -14.951 8 HG3 MET 1 3HG MET 1 16.576 -14.042 -16.671 9 HE1 MET 1 1HE MET 1 14.986 -11.868 -16.910 10 HE2 MET 1 2HE MET 1 14.515 -11.949 -15.212 11 HE3 MET 1 3HE MET 1 13.281 -11.860 -16.468 12 H GLY 2 H GLY 2 14.657 -18.255 -15.697 13 HA2 GLY 2 2HA GLY 2 15.078 -20.838 -16.517 14 HA3 GLY 2 3HA GLY 2 16.450 -20.471 -15.462 15 H HIS 3 H HIS 3 15.656 -22.010 -13.898 16 HA HIS 3 HA HIS 3 13.560 -20.877 -12.151 17 HB2 HIS 3 2HB HIS 3 13.719 -23.802 -13.006 18 HB3 HIS 3 3HB HIS 3 12.713 -23.211 -11.691 19 HD1 HIS 3 HD1 HIS 3 12.316 -24.232 -15.007 20 HD2 HIS 3 HD2 HIS 3 10.956 -20.922 -12.895 21 HE1 HIS 3 HE1 HIS 3 10.369 -23.350 -16.322 22 HE2 HIS 3 HE2 HIS 3 9.627 -21.298 -15.078 23 H HIS 4 H HIS 4 14.138 -20.809 -10.104 24 HA HIS 4 HA HIS 4 16.587 -22.059 -9.106 25 HB2 HIS 4 2HB HIS 4 14.562 -20.244 -7.704 26 HB3 HIS 4 3HB HIS 4 16.122 -20.732 -7.054 27 HD1 HIS 4 HD1 HIS 4 14.548 -18.023 -8.807 28 HD2 HIS 4 HD2 HIS 4 18.356 -19.693 -8.781 29 HE1 HIS 4 HE1 HIS 4 16.059 -16.274 -9.792 30 HE2 HIS 4 HE2 HIS 4 18.339 -17.339 -9.838 31 H HIS 5 H HIS 5 16.297 -23.021 -6.770 32 HA HIS 5 HA HIS 5 14.765 -25.387 -6.918 33 HB2 HIS 5 2HB HIS 5 16.221 -24.061 -4.598 34 HB3 HIS 5 3HB HIS 5 15.381 -25.599 -4.409 35 HD1 HIS 5 HD1 HIS 5 18.569 -24.167 -5.551 36 HD2 HIS 5 HD2 HIS 5 16.485 -27.724 -6.048 37 HE1 HIS 5 HE1 HIS 5 20.235 -25.805 -6.467 38 HE2 HIS 5 HE2 HIS 5 18.992 -27.984 -6.585 39 H HIS 6 H HIS 6 12.912 -26.067 -5.834 40 HA HIS 6 HA HIS 6 10.822 -24.134 -5.936 41 HB2 HIS 6 2HB HIS 6 10.743 -27.096 -5.229 42 HB3 HIS 6 3HB HIS 6 9.308 -26.095 -5.441 43 HD1 HIS 6 HD1 HIS 6 8.903 -25.145 -7.907 44 HD2 HIS 6 HD2 HIS 6 11.827 -28.083 -7.588 45 HE1 HIS 6 HE1 HIS 6 9.269 -25.997 -10.245 46 HE2 HIS 6 HE2 HIS 6 11.055 -27.751 -10.028 47 H HIS 7 H HIS 7 11.448 -22.715 -4.283 48 HA HIS 7 HA HIS 7 9.904 -22.831 -1.959 49 HB2 HIS 7 2HB HIS 7 11.462 -23.065 -0.149 50 HB3 HIS 7 3HB HIS 7 11.892 -24.378 -1.245 51 HD1 HIS 7 HD1 HIS 7 13.278 -21.480 0.504 52 HD2 HIS 7 HD2 HIS 7 14.323 -23.759 -2.818 53 HE1 HIS 7 HE1 HIS 7 15.664 -20.891 0.002 54 HE2 HIS 7 HE2 HIS 7 16.215 -22.148 -2.106 55 H HIS 8 H HIS 8 9.834 -20.731 -1.009 56 HA HIS 8 HA HIS 8 11.154 -18.602 -2.509 57 HB2 HIS 8 2HB HIS 8 9.790 -17.079 -1.074 58 HB3 HIS 8 3HB HIS 8 8.831 -18.248 -1.962 59 HD1 HIS 8 HD1 HIS 8 6.842 -18.510 -0.521 60 HD2 HIS 8 HD2 HIS 8 10.341 -18.736 1.708 61 HE1 HIS 8 HE1 HIS 8 6.133 -19.146 1.799 62 HE2 HIS 8 HE2 HIS 8 8.247 -19.172 3.147 63 H GLU 9 H GLU 9 12.413 -16.911 -1.476 64 HA GLU 9 HA GLU 9 14.264 -17.775 0.564 65 HB2 GLU 9 2HB GLU 9 13.869 -15.192 -0.977 66 HB3 GLU 9 3HB GLU 9 15.021 -15.275 0.348 67 HG2 GLU 9 2HG GLU 9 15.104 -17.108 -2.067 68 HG3 GLU 9 3HG GLU 9 15.996 -15.591 -1.949 69 H ASN 10 H ASN 10 13.182 -18.117 2.475 70 HA ASN 10 HA ASN 10 11.083 -16.394 3.418 71 HB2 ASN 10 2HB ASN 10 11.161 -18.897 3.806 72 HB3 ASN 10 3HB ASN 10 12.491 -18.646 4.930 73 HD21 ASN 10 1HD2 ASN 10 12.047 -17.566 6.933 74 HD22 ASN 10 2HD2 ASN 10 10.437 -17.489 7.563 75 H LEU 11 H LEU 11 12.303 -14.407 3.420 76 HA LEU 11 HA LEU 11 13.488 -12.681 4.236 77 HB2 LEU 11 2HB LEU 11 11.752 -13.357 6.128 78 HB3 LEU 11 3HB LEU 11 13.187 -13.772 7.039 79 HG LEU 11 HG LEU 11 12.477 -10.999 5.976 80 HD11 LEU 11 1HD1 LEU 11 11.035 -11.664 7.816 81 HD12 LEU 11 2HD1 LEU 11 12.136 -10.393 8.337 82 HD13 LEU 11 3HD1 LEU 11 12.435 -12.067 8.816 83 HD21 LEU 11 1HD2 LEU 11 14.847 -11.779 7.706 84 HD22 LEU 11 2HD2 LEU 11 14.365 -10.131 7.296 85 HD23 LEU 11 3HD2 LEU 11 14.913 -11.227 6.031 86 H TYR 12 H TYR 12 15.236 -14.087 3.117 87 HA TYR 12 HA TYR 12 17.543 -14.291 4.971 88 HB2 TYR 12 2HB TYR 12 16.934 -16.541 4.096 89 HB3 TYR 12 3HB TYR 12 17.081 -15.953 2.444 90 HD1 TYR 12 HD1 TYR 12 19.020 -16.688 5.558 91 HD2 TYR 12 HD2 TYR 12 19.261 -15.852 1.376 92 HE1 TYR 12 HE1 TYR 12 21.398 -17.310 5.567 93 HE2 TYR 12 HE2 TYR 12 21.635 -16.471 1.384 94 HH TYR 12 HH TYR 12 23.084 -18.148 3.933 95 H PHE 13 H PHE 13 17.236 -14.286 1.391 96 HA PHE 13 HA PHE 13 19.280 -12.251 1.163 97 HB2 PHE 13 2HB PHE 13 19.060 -14.179 -0.459 98 HB3 PHE 13 3HB PHE 13 17.555 -13.477 -1.038 99 HD1 PHE 13 HD1 PHE 13 21.236 -12.932 -0.807 100 HD2 PHE 13 HD2 PHE 13 17.586 -11.668 -2.656 101 HE1 PHE 13 HE1 PHE 13 22.510 -11.571 -2.413 102 HE2 PHE 13 HE2 PHE 13 18.875 -10.314 -4.255 103 HZ PHE 13 HZ PHE 13 21.333 -10.267 -4.137 104 H GLN 14 H GLN 14 18.255 -10.573 2.324 105 HA GLN 14 HA GLN 14 15.879 -9.292 1.236 106 HB2 GLN 14 2HB GLN 14 16.243 -9.332 3.695 107 HB3 GLN 14 3HB GLN 14 17.732 -8.417 3.494 108 HG2 GLN 14 2HG GLN 14 16.462 -6.492 2.640 109 HG3 GLN 14 3HG GLN 14 14.963 -7.413 2.765 110 HE21 GLN 14 1HE2 GLN 14 14.062 -7.778 4.831 111 HE22 GLN 14 2HE2 GLN 14 14.578 -6.891 6.220 112 H SER 15 H SER 15 16.518 -8.794 -0.818 113 HA SER 15 HA SER 15 18.859 -7.506 -1.684 114 HB2 SER 15 2HB SER 15 17.487 -6.996 -3.749 115 HB3 SER 15 3HB SER 15 17.376 -8.680 -3.236 116 HG SER 15 HG SER 15 15.310 -7.990 -3.639 117 H HIS 16 H HIS 16 16.199 -6.276 0.067 118 HA HIS 16 HA HIS 16 15.462 -4.282 0.781 119 HB2 HIS 16 2HB HIS 16 18.151 -3.212 -0.213 120 HB3 HIS 16 3HB HIS 16 16.999 -2.277 0.733 121 HD1 HIS 16 HD1 HIS 16 19.685 -4.782 1.029 122 HD2 HIS 16 HD2 HIS 16 16.798 -3.099 3.489 123 HE1 HIS 16 HE1 HIS 16 20.361 -5.393 3.365 124 HE2 HIS 16 HE2 HIS 16 18.496 -4.527 4.812 125 H MET 17 H MET 17 14.648 -5.242 -1.726 126 HA MET 17 HA MET 17 14.610 -3.396 -3.849 127 HB2 MET 17 2HB MET 17 13.941 -5.807 -3.978 128 HB3 MET 17 3HB MET 17 12.466 -5.438 -3.100 129 HG2 MET 17 2HG MET 17 11.723 -4.007 -4.972 130 HG3 MET 17 3HG MET 17 13.213 -4.378 -5.839 131 HE1 MET 17 1HE MET 17 13.596 -7.530 -5.216 132 HE2 MET 17 2HE MET 17 13.794 -6.824 -6.822 133 HE3 MET 17 3HE MET 17 12.747 -8.226 -6.596 134 H THR 18 H THR 18 13.162 -3.148 -0.838 135 HA THR 18 HA THR 18 10.968 -1.392 -1.317 136 HB THR 18 HB THR 18 11.141 -1.063 1.165 137 HG1 THR 18 HG1 THR 18 13.452 -1.213 1.332 138 HG21 THR 18 1HG2 THR 18 9.893 -3.005 0.364 139 HG22 THR 18 2HG2 THR 18 10.813 -3.460 1.798 140 HG23 THR 18 3HG2 THR 18 11.385 -3.935 0.204 141 H ASP 19 H ASP 19 14.261 -0.851 -1.738 142 HA ASP 19 HA ASP 19 14.801 1.545 -0.366 143 HB2 ASP 19 2HB ASP 19 16.802 1.745 -1.790 144 HB3 ASP 19 3HB ASP 19 16.612 0.096 -1.217 145 H GLU 20 H GLU 20 13.557 3.269 -0.589 146 HA GLU 20 HA GLU 20 12.621 5.154 -1.356 147 HB2 GLU 20 2HB GLU 20 14.197 4.484 -3.849 148 HB3 GLU 20 3HB GLU 20 13.085 5.843 -3.845 149 HG2 GLU 20 2HG GLU 20 15.382 6.580 -3.443 150 HG3 GLU 20 3HG GLU 20 14.352 6.926 -2.060 151 H LEU 21 H LEU 21 11.853 2.133 -2.682 152 HA LEU 21 HA LEU 21 9.602 2.660 -4.276 153 HB2 LEU 21 2HB LEU 21 10.628 0.443 -4.235 154 HB3 LEU 21 3HB LEU 21 10.346 0.294 -2.512 155 HG LEU 21 HG LEU 21 7.847 0.265 -3.002 156 HD11 LEU 21 1HD1 LEU 21 7.096 -0.284 -5.270 157 HD12 LEU 21 2HD1 LEU 21 8.732 -0.033 -5.883 158 HD13 LEU 21 3HD1 LEU 21 7.829 1.317 -5.191 159 HD21 LEU 21 1HD2 LEU 21 9.498 -1.993 -4.183 160 HD22 LEU 21 2HD2 LEU 21 7.803 -2.095 -3.699 161 HD23 LEU 21 3HD2 LEU 21 9.046 -1.795 -2.486 162 H LEU 22 H LEU 22 9.908 1.833 -0.812 163 HA LEU 22 HA LEU 22 7.189 2.039 -0.145 164 HB2 LEU 22 2HB LEU 22 9.631 2.374 1.642 165 HB3 LEU 22 3HB LEU 22 7.984 2.211 2.231 166 HG LEU 22 HG LEU 22 9.611 0.092 0.776 167 HD11 LEU 22 1HD1 LEU 22 10.217 0.371 3.131 168 HD12 LEU 22 2HD1 LEU 22 9.413 -1.175 2.873 169 HD13 LEU 22 3HD1 LEU 22 8.530 0.163 3.614 170 HD21 LEU 22 1HD2 LEU 22 7.305 -0.083 -0.006 171 HD22 LEU 22 2HD2 LEU 22 6.706 -0.076 1.655 172 HD23 LEU 22 3HD2 LEU 22 7.683 -1.425 1.073 173 H GLU 23 H GLU 23 9.800 4.461 -0.066 174 HA GLU 23 HA GLU 23 8.450 6.532 1.257 175 HB2 GLU 23 2HB GLU 23 10.918 6.516 0.773 176 HB3 GLU 23 3HB GLU 23 10.565 6.859 -0.920 177 HG2 GLU 23 2HG GLU 23 9.428 8.989 -0.182 178 HG3 GLU 23 3HG GLU 23 9.962 8.652 1.462 179 H ARG 24 H ARG 24 8.608 5.731 -2.218 180 HA ARG 24 HA ARG 24 7.004 7.893 -3.166 181 HB2 ARG 24 2HB ARG 24 7.752 5.216 -4.392 182 HB3 ARG 24 3HB ARG 24 6.756 6.391 -5.250 183 HG2 ARG 24 2HG ARG 24 8.575 8.033 -5.168 184 HG3 ARG 24 3HG ARG 24 9.573 6.911 -4.243 185 HD2 ARG 24 2HD ARG 24 8.569 6.434 -7.071 186 HD3 ARG 24 3HD ARG 24 10.189 6.989 -6.646 187 HE ARG 24 HE ARG 24 10.501 4.838 -5.470 188 HH11 ARG 24 1HH1 ARG 24 8.004 4.970 -7.957 189 HH12 ARG 24 2HH1 ARG 24 8.066 3.264 -8.256 190 HH21 ARG 24 1HH2 ARG 24 10.543 2.609 -5.898 191 HH22 ARG 24 2HH2 ARG 24 9.489 1.939 -7.102 192 H LEU 25 H LEU 25 6.221 4.761 -1.787 193 HA LEU 25 HA LEU 25 3.449 4.745 -2.680 194 HB2 LEU 25 2HB LEU 25 4.901 3.073 -0.580 195 HB3 LEU 25 3HB LEU 25 3.248 2.789 -1.108 196 HG LEU 25 HG LEU 25 5.681 2.605 -2.931 197 HD11 LEU 25 1HD1 LEU 25 4.125 0.340 -1.655 198 HD12 LEU 25 2HD1 LEU 25 5.761 0.845 -1.228 199 HD13 LEU 25 3HD1 LEU 25 5.438 0.174 -2.825 200 HD21 LEU 25 1HD2 LEU 25 3.643 3.171 -4.155 201 HD22 LEU 25 2HD2 LEU 25 2.796 1.804 -3.429 202 HD23 LEU 25 3HD2 LEU 25 4.149 1.524 -4.527 203 H ARG 26 H ARG 26 5.342 5.757 0.073 204 HA ARG 26 HA ARG 26 3.287 6.194 1.968 205 HB2 ARG 26 2HB ARG 26 5.782 6.037 2.476 206 HB3 ARG 26 3HB ARG 26 5.970 7.651 1.797 207 HG2 ARG 26 2HG ARG 26 4.260 8.430 3.548 208 HG3 ARG 26 3HG ARG 26 4.450 6.842 4.295 209 HD2 ARG 26 2HD ARG 26 5.875 8.402 5.451 210 HD3 ARG 26 3HD ARG 26 6.908 7.313 4.520 211 HE ARG 26 HE ARG 26 6.175 10.024 3.557 212 HH11 ARG 26 1HH1 ARG 26 8.654 7.611 4.233 213 HH12 ARG 26 2HH1 ARG 26 9.942 8.567 3.564 214 HH21 ARG 26 1HH2 ARG 26 7.870 11.274 2.699 215 HH22 ARG 26 2HH2 ARG 26 9.490 10.651 2.694 216 H GLN 27 H GLN 27 4.954 8.280 -0.398 217 HA GLN 27 HA GLN 27 3.798 10.758 0.116 218 HB2 GLN 27 2HB GLN 27 4.493 9.617 -2.631 219 HB3 GLN 27 3HB GLN 27 4.260 11.319 -2.267 220 HG2 GLN 27 2HG GLN 27 6.492 9.569 -1.224 221 HG3 GLN 27 3HG GLN 27 6.624 10.759 -2.510 222 HE21 GLN 27 1HE2 GLN 27 6.394 10.267 0.920 223 HE22 GLN 27 2HE2 GLN 27 6.762 11.890 1.373 224 H LEU 28 H LEU 28 2.611 8.074 -1.859 225 HA LEU 28 HA LEU 28 0.277 9.250 -2.911 226 HB2 LEU 28 2HB LEU 28 1.255 7.185 -3.824 227 HB3 LEU 28 3HB LEU 28 0.930 6.336 -2.324 228 HG LEU 28 HG LEU 28 -1.525 6.567 -2.735 229 HD11 LEU 28 1HD1 LEU 28 -2.363 7.290 -4.925 230 HD12 LEU 28 2HD1 LEU 28 -0.732 7.771 -5.401 231 HD13 LEU 28 3HD1 LEU 28 -1.548 8.600 -4.072 232 HD21 LEU 28 1HD2 LEU 28 -1.689 4.910 -4.550 233 HD22 LEU 28 2HD2 LEU 28 -0.394 4.513 -3.422 234 HD23 LEU 28 3HD2 LEU 28 -0.007 5.219 -4.994 235 H PHE 29 H PHE 29 0.746 7.160 -0.022 236 HA PHE 29 HA PHE 29 -1.979 7.122 0.782 237 HB2 PHE 29 2HB PHE 29 0.499 6.646 2.489 238 HB3 PHE 29 3HB PHE 29 -1.140 6.174 2.918 239 HD1 PHE 29 HD1 PHE 29 -2.100 4.985 0.334 240 HD2 PHE 29 HD2 PHE 29 1.664 4.585 2.342 241 HE1 PHE 29 HE1 PHE 29 -1.738 2.807 -0.738 242 HE2 PHE 29 HE2 PHE 29 2.003 2.401 1.252 243 HZ PHE 29 HZ PHE 29 0.302 1.515 -0.291 244 H GLU 30 H GLU 30 0.680 9.293 1.560 245 HA GLU 30 HA GLU 30 -0.568 10.737 3.699 246 HB2 GLU 30 2HB GLU 30 1.768 11.507 1.887 247 HB3 GLU 30 3HB GLU 30 1.265 12.429 3.299 248 HG2 GLU 30 2HG GLU 30 1.860 10.595 4.782 249 HG3 GLU 30 3HG GLU 30 2.228 9.553 3.409 250 H GLU 31 H GLU 31 -0.364 11.132 0.190 251 HA GLU 31 HA GLU 31 -1.680 13.642 -0.019 252 HB2 GLU 31 2HB GLU 31 -0.373 12.496 -1.867 253 HB3 GLU 31 3HB GLU 31 -1.694 11.347 -2.033 254 HG2 GLU 31 2HG GLU 31 -3.188 13.432 -2.469 255 HG3 GLU 31 3HG GLU 31 -1.670 14.301 -2.696 256 H LEU 32 H LEU 32 -2.817 10.274 -0.156 257 HA LEU 32 HA LEU 32 -5.570 10.752 -0.593 258 HB2 LEU 32 2HB LEU 32 -4.152 8.345 0.617 259 HB3 LEU 32 3HB LEU 32 -5.839 8.350 0.129 260 HG LEU 32 HG LEU 32 -3.509 8.788 -1.783 261 HD11 LEU 32 1HD1 LEU 32 -3.427 6.511 -0.911 262 HD12 LEU 32 2HD1 LEU 32 -3.917 6.507 -2.602 263 HD13 LEU 32 3HD1 LEU 32 -5.123 6.257 -1.336 264 HD21 LEU 32 1HD2 LEU 32 -5.579 9.856 -2.545 265 HD22 LEU 32 2HD2 LEU 32 -6.449 8.331 -2.372 266 HD23 LEU 32 3HD2 LEU 32 -5.159 8.483 -3.565 267 H HIS 33 H HIS 33 -3.634 10.731 2.295 268 HA HIS 33 HA HIS 33 -5.476 10.387 4.346 269 HB2 HIS 33 2HB HIS 33 -3.088 10.471 4.792 270 HB3 HIS 33 3HB HIS 33 -2.974 12.122 4.200 271 HD1 HIS 33 HD1 HIS 33 -4.501 10.182 7.077 272 HD2 HIS 33 HD2 HIS 33 -3.240 14.029 6.164 273 HE1 HIS 33 HE1 HIS 33 -4.693 11.474 9.211 274 HE2 HIS 33 HE2 HIS 33 -3.802 13.759 8.670 275 H GLU 34 H GLU 34 -5.109 13.158 2.225 276 HA GLU 34 HA GLU 34 -6.215 15.219 3.785 277 HB2 GLU 34 2HB GLU 34 -6.492 16.474 1.738 278 HB3 GLU 34 3HB GLU 34 -5.035 15.504 1.562 279 HG2 GLU 34 2HG GLU 34 -6.411 13.831 0.248 280 HG3 GLU 34 3HG GLU 34 -7.739 14.987 0.296 281 H ARG 35 H ARG 35 -7.782 12.637 1.967 282 HA ARG 35 HA ARG 35 -10.459 13.623 2.798 283 HB2 ARG 35 2HB ARG 35 -11.395 12.058 1.108 284 HB3 ARG 35 3HB ARG 35 -10.378 13.301 0.409 285 HG2 ARG 35 2HG ARG 35 -8.899 10.802 0.954 286 HG3 ARG 35 3HG ARG 35 -10.251 10.571 -0.151 287 HD2 ARG 35 2HD ARG 35 -7.928 12.502 -0.503 288 HD3 ARG 35 3HD ARG 35 -8.240 11.029 -1.428 289 HE ARG 35 HE ARG 35 -10.501 12.505 -1.787 290 HH11 ARG 35 1HH1 ARG 35 -7.099 13.196 -2.431 291 HH12 ARG 35 2HH1 ARG 35 -7.465 14.277 -3.736 292 HH21 ARG 35 1HH2 ARG 35 -10.929 13.953 -3.447 293 HH22 ARG 35 2HH2 ARG 35 -9.625 14.707 -4.313 294 H GLY 36 H GLY 36 -8.154 11.014 3.057 295 HA2 GLY 36 2HA GLY 36 -8.004 9.140 4.344 296 HA3 GLY 36 3HA GLY 36 -9.153 9.905 5.427 297 H THR 37 H THR 37 -9.547 8.823 2.064 298 HA THR 37 HA THR 37 -12.083 7.556 2.653 299 HB THR 37 HB THR 37 -11.787 8.833 0.558 300 HG1 THR 37 HG1 THR 37 -13.355 7.359 0.281 301 HG21 THR 37 1HG2 THR 37 -9.422 8.333 0.078 302 HG22 THR 37 2HG2 THR 37 -10.445 7.968 -1.314 303 HG23 THR 37 3HG2 THR 37 -9.844 6.660 -0.293 304 H GLU 38 H GLU 38 -12.420 5.350 1.449 305 HA GLU 38 HA GLU 38 -11.057 3.326 2.838 306 HB2 GLU 38 2HB GLU 38 -12.373 1.778 1.284 307 HB3 GLU 38 3HB GLU 38 -13.323 2.918 2.228 308 HG2 GLU 38 2HG GLU 38 -13.552 4.382 0.262 309 HG3 GLU 38 3HG GLU 38 -12.577 3.273 -0.694 310 H ILE 39 H ILE 39 -8.866 3.387 2.460 311 HA ILE 39 HA ILE 39 -7.763 2.934 -0.224 312 HB ILE 39 HB ILE 39 -6.270 3.223 2.432 313 HG12 ILE 39 2HG1 ILE 39 -6.698 5.419 0.355 314 HG13 ILE 39 3HG1 ILE 39 -7.636 5.278 1.834 315 HG21 ILE 39 1HG2 ILE 39 -5.242 3.440 -0.426 316 HG22 ILE 39 2HG2 ILE 39 -4.934 2.107 0.689 317 HG23 ILE 39 3HG2 ILE 39 -4.283 3.709 1.032 318 HD11 ILE 39 1HD1 ILE 39 -4.666 5.775 1.658 319 HD12 ILE 39 2HD1 ILE 39 -5.591 5.596 3.154 320 HD13 ILE 39 3HD1 ILE 39 -5.921 6.945 2.069 321 H VAL 40 H VAL 40 -7.805 0.827 -0.864 322 HA VAL 40 HA VAL 40 -7.343 -1.347 1.109 323 HB VAL 40 HB VAL 40 -8.798 -1.572 -1.579 324 HG11 VAL 40 1HG1 VAL 40 -9.495 -3.811 -0.775 325 HG12 VAL 40 2HG1 VAL 40 -8.520 -3.596 0.680 326 HG13 VAL 40 3HG1 VAL 40 -7.739 -3.680 -0.902 327 HG21 VAL 40 1HG2 VAL 40 -10.031 -1.457 1.205 328 HG22 VAL 40 2HG2 VAL 40 -10.904 -1.752 -0.301 329 HG23 VAL 40 3HG2 VAL 40 -10.125 -0.193 -0.026 330 H VAL 41 H VAL 41 -5.193 -1.776 0.962 331 HA VAL 41 HA VAL 41 -3.786 -1.650 -1.617 332 HB VAL 41 HB VAL 41 -2.668 -2.053 1.206 333 HG11 VAL 41 1HG1 VAL 41 -0.471 -1.495 0.222 334 HG12 VAL 41 2HG1 VAL 41 -1.201 -1.414 -1.383 335 HG13 VAL 41 3HG1 VAL 41 -1.152 -2.950 -0.514 336 HG21 VAL 41 1HG2 VAL 41 -3.751 0.145 0.985 337 HG22 VAL 41 2HG2 VAL 41 -2.796 0.491 -0.459 338 HG23 VAL 41 3HG2 VAL 41 -1.998 0.323 1.107 339 H GLU 42 H GLU 42 -3.552 -3.458 -2.751 340 HA GLU 42 HA GLU 42 -3.635 -6.101 -1.453 341 HB2 GLU 42 2HB GLU 42 -4.630 -5.177 -4.154 342 HB3 GLU 42 3HB GLU 42 -4.272 -6.880 -3.861 343 HG2 GLU 42 2HG GLU 42 -5.879 -6.892 -2.001 344 HG3 GLU 42 3HG GLU 42 -6.266 -5.203 -2.316 345 H VAL 43 H VAL 43 -1.598 -6.736 -1.174 346 HA VAL 43 HA VAL 43 0.418 -6.329 -3.283 347 HB VAL 43 HB VAL 43 0.792 -7.677 -0.561 348 HG11 VAL 43 1HG1 VAL 43 2.575 -8.174 -2.171 349 HG12 VAL 43 2HG1 VAL 43 3.183 -7.139 -0.879 350 HG13 VAL 43 3HG1 VAL 43 2.822 -6.449 -2.465 351 HG21 VAL 43 1HG2 VAL 43 1.635 -5.518 0.293 352 HG22 VAL 43 2HG2 VAL 43 -0.055 -5.395 -0.198 353 HG23 VAL 43 3HG2 VAL 43 1.214 -4.742 -1.238 354 H HIS 44 H HIS 44 -0.188 -7.704 -4.868 355 HA HIS 44 HA HIS 44 -0.718 -10.541 -4.439 356 HB2 HIS 44 2HB HIS 44 -0.505 -8.950 -7.046 357 HB3 HIS 44 3HB HIS 44 -1.128 -10.591 -6.884 358 HD1 HIS 44 HD1 HIS 44 -2.551 -7.675 -7.757 359 HD2 HIS 44 HD2 HIS 44 -3.291 -10.113 -4.478 360 HE1 HIS 44 HE1 HIS 44 -4.885 -7.118 -7.020 361 HE2 HIS 44 HE2 HIS 44 -5.368 -8.736 -5.157 362 H ILE 45 H ILE 45 1.088 -11.694 -3.954 363 HA ILE 45 HA ILE 45 3.384 -11.644 -5.826 364 HB ILE 45 HB ILE 45 3.580 -11.763 -2.775 365 HG12 ILE 45 2HG1 ILE 45 4.578 -9.713 -4.797 366 HG13 ILE 45 3HG1 ILE 45 3.354 -9.468 -3.560 367 HG21 ILE 45 1HG2 ILE 45 6.032 -12.006 -3.059 368 HG22 ILE 45 2HG2 ILE 45 5.821 -12.127 -4.805 369 HG23 ILE 45 3HG2 ILE 45 5.162 -13.377 -3.751 370 HD11 ILE 45 1HD1 ILE 45 5.095 -9.761 -1.840 371 HD12 ILE 45 2HD1 ILE 45 5.381 -8.399 -2.915 372 HD13 ILE 45 3HD1 ILE 45 6.302 -9.887 -3.120 373 H ASN 46 H ASN 46 3.668 -13.578 -6.680 374 HA ASN 46 HA ASN 46 3.779 -15.786 -7.102 375 HB2 ASN 46 2HB ASN 46 4.254 -15.837 -4.091 376 HB3 ASN 46 3HB ASN 46 4.500 -17.236 -5.132 377 HD21 ASN 46 1HD2 ASN 46 6.435 -15.786 -3.503 378 HD22 ASN 46 2HD2 ASN 46 7.675 -15.265 -4.580 379 H GLY 47 H GLY 47 1.157 -14.761 -6.838 380 HA2 GLY 47 2HA GLY 47 -0.901 -15.810 -7.238 381 HA3 GLY 47 3HA GLY 47 -0.347 -17.245 -6.385 382 H GLU 48 H GLU 48 0.593 -15.299 -4.182 383 HA GLU 48 HA GLU 48 -1.803 -15.527 -2.566 384 HB2 GLU 48 2HB GLU 48 1.016 -14.536 -1.924 385 HB3 GLU 48 3HB GLU 48 -0.260 -14.777 -0.735 386 HG2 GLU 48 2HG GLU 48 0.872 -16.987 -2.473 387 HG3 GLU 48 3HG GLU 48 1.429 -16.626 -0.844 388 H ARG 49 H ARG 49 -2.979 -13.852 -1.726 389 HA ARG 49 HA ARG 49 -2.419 -11.100 -2.684 390 HB2 ARG 49 2HB ARG 49 -4.925 -10.756 -2.554 391 HB3 ARG 49 3HB ARG 49 -4.400 -11.888 -3.790 392 HG2 ARG 49 2HG ARG 49 -5.016 -13.774 -2.249 393 HG3 ARG 49 3HG ARG 49 -5.668 -12.583 -1.124 394 HD2 ARG 49 2HD ARG 49 -7.276 -11.847 -2.875 395 HD3 ARG 49 3HD ARG 49 -6.625 -13.079 -3.965 396 HE ARG 49 HE ARG 49 -7.670 -13.988 -1.388 397 HH11 ARG 49 1HH1 ARG 49 -8.278 -13.662 -4.832 398 HH12 ARG 49 2HH1 ARG 49 -9.573 -14.814 -4.842 399 HH21 ARG 49 1HH2 ARG 49 -9.377 -15.511 -1.411 400 HH22 ARG 49 2HH2 ARG 49 -10.191 -15.858 -2.908 401 H ASP 50 H ASP 50 -1.922 -9.729 -1.140 402 HA ASP 50 HA ASP 50 -2.773 -10.114 1.661 403 HB2 ASP 50 2HB ASP 50 -0.360 -9.661 1.248 404 HB3 ASP 50 3HB ASP 50 -0.789 -8.214 0.355 405 H GLU 51 H GLU 51 -4.732 -9.189 2.032 406 HA GLU 51 HA GLU 51 -5.491 -6.676 0.652 407 HB2 GLU 51 2HB GLU 51 -7.083 -8.582 0.380 408 HB3 GLU 51 3HB GLU 51 -7.293 -8.654 2.125 409 HG2 GLU 51 2HG GLU 51 -8.082 -6.191 1.964 410 HG3 GLU 51 3HG GLU 51 -8.181 -6.464 0.224 411 H ILE 52 H ILE 52 -4.908 -4.996 1.853 412 HA ILE 52 HA ILE 52 -5.460 -4.945 4.773 413 HB ILE 52 HB ILE 52 -3.692 -2.851 3.444 414 HG12 ILE 52 2HG1 ILE 52 -2.406 -5.435 4.427 415 HG13 ILE 52 3HG1 ILE 52 -2.890 -5.250 2.745 416 HG21 ILE 52 1HG2 ILE 52 -3.663 -4.144 6.205 417 HG22 ILE 52 2HG2 ILE 52 -4.335 -2.563 5.796 418 HG23 ILE 52 3HG2 ILE 52 -2.597 -2.839 5.677 419 HD11 ILE 52 1HD1 ILE 52 -0.545 -4.753 3.049 420 HD12 ILE 52 2HD1 ILE 52 -0.937 -3.478 4.206 421 HD13 ILE 52 3HD1 ILE 52 -1.425 -3.322 2.515 422 H ARG 53 H ARG 53 -7.065 -3.478 5.364 423 HA ARG 53 HA ARG 53 -7.928 -1.443 3.377 424 HB2 ARG 53 2HB ARG 53 -9.750 -2.950 5.312 425 HB3 ARG 53 3HB ARG 53 -10.244 -1.738 4.134 426 HG2 ARG 53 2HG ARG 53 -9.379 -3.315 2.323 427 HG3 ARG 53 3HG ARG 53 -9.218 -4.534 3.587 428 HD2 ARG 53 2HD ARG 53 -11.320 -4.872 2.446 429 HD3 ARG 53 3HD ARG 53 -11.663 -4.276 4.076 430 HE ARG 53 HE ARG 53 -11.600 -2.003 2.581 431 HH11 ARG 53 1HH1 ARG 53 -13.421 -4.993 2.275 432 HH12 ARG 53 2HH1 ARG 53 -14.770 -4.229 1.493 433 HH21 ARG 53 1HH2 ARG 53 -13.363 -1.018 1.517 434 HH22 ARG 53 2HH2 ARG 53 -14.737 -1.980 1.061 435 H VAL 54 H VAL 54 -7.447 0.474 4.115 436 HA VAL 54 HA VAL 54 -7.691 1.189 6.981 437 HB VAL 54 HB VAL 54 -5.718 2.702 6.680 438 HG11 VAL 54 1HG1 VAL 54 -5.352 0.504 7.712 439 HG12 VAL 54 2HG1 VAL 54 -3.945 0.987 6.768 440 HG13 VAL 54 3HG1 VAL 54 -5.066 -0.219 6.126 441 HG21 VAL 54 1HG2 VAL 54 -5.319 1.317 3.999 442 HG22 VAL 54 2HG2 VAL 54 -4.211 2.471 4.748 443 HG23 VAL 54 3HG2 VAL 54 -5.810 2.997 4.233 444 H ARG 55 H ARG 55 -8.308 3.456 7.326 445 HA ARG 55 HA ARG 55 -9.490 4.785 4.942 446 HB2 ARG 55 2HB ARG 55 -10.743 4.510 7.705 447 HB3 ARG 55 3HB ARG 55 -11.353 5.577 6.448 448 HG2 ARG 55 2HG ARG 55 -11.846 3.642 5.008 449 HG3 ARG 55 3HG ARG 55 -11.196 2.551 6.239 450 HD2 ARG 55 2HD ARG 55 -13.698 2.689 6.261 451 HD3 ARG 55 3HD ARG 55 -12.963 3.163 7.797 452 HE ARG 55 HE ARG 55 -13.589 5.296 5.896 453 HH11 ARG 55 1HH1 ARG 55 -14.646 3.584 8.812 454 HH12 ARG 55 2HH1 ARG 55 -15.718 4.858 9.300 455 HH21 ARG 55 1HH2 ARG 55 -14.942 6.966 6.595 456 HH22 ARG 55 2HH2 ARG 55 -15.881 6.774 8.040 457 H ASN 56 H ASN 56 -9.451 5.915 8.334 458 HA ASN 56 HA ASN 56 -8.439 8.516 7.373 459 HB2 ASN 56 2HB ASN 56 -9.890 7.699 9.938 460 HB3 ASN 56 3HB ASN 56 -9.262 9.317 9.659 461 HD21 ASN 56 1HD2 ASN 56 -10.962 7.217 7.314 462 HD22 ASN 56 2HD2 ASN 56 -12.309 8.267 7.108 463 H ILE 57 H ILE 57 -6.573 6.471 7.540 464 HA ILE 57 HA ILE 57 -5.222 6.189 9.991 465 HB ILE 57 HB ILE 57 -3.248 5.383 8.350 466 HG12 ILE 57 2HG1 ILE 57 -4.151 4.444 6.199 467 HG13 ILE 57 3HG1 ILE 57 -5.673 5.276 6.470 468 HG21 ILE 57 1HG2 ILE 57 -4.534 3.940 9.859 469 HG22 ILE 57 2HG2 ILE 57 -4.264 3.149 8.307 470 HG23 ILE 57 3HG2 ILE 57 -5.846 3.839 8.680 471 HD11 ILE 57 1HD1 ILE 57 -3.007 6.615 6.001 472 HD12 ILE 57 2HD1 ILE 57 -4.573 7.415 6.152 473 HD13 ILE 57 3HD1 ILE 57 -4.257 6.347 4.786 474 H SER 58 H SER 58 -3.420 7.097 10.860 475 HA SER 58 HA SER 58 -2.598 9.750 10.044 476 HB2 SER 58 2HB SER 58 -1.489 7.916 12.226 477 HB3 SER 58 3HB SER 58 -1.158 9.644 12.057 478 HG SER 58 HG SER 58 -3.817 9.225 12.079 479 H LYS 59 H LYS 59 -0.079 10.136 10.076 480 HA LYS 59 HA LYS 59 1.103 8.970 7.824 481 HB2 LYS 59 2HB LYS 59 3.134 10.188 8.432 482 HB3 LYS 59 3HB LYS 59 1.732 11.196 8.767 483 HG2 LYS 59 2HG LYS 59 1.906 10.531 11.190 484 HG3 LYS 59 3HG LYS 59 3.407 9.687 10.796 485 HD2 LYS 59 2HD LYS 59 4.308 11.914 9.938 486 HD3 LYS 59 3HD LYS 59 2.862 12.675 10.607 487 HE2 LYS 59 2HE LYS 59 3.490 11.832 12.861 488 HE3 LYS 59 3HE LYS 59 4.953 11.126 12.174 489 HZ1 LYS 59 1HZ LYS 59 5.680 13.348 11.538 490 HZ2 LYS 59 2HZ LYS 59 5.405 13.261 13.202 491 HZ3 LYS 59 3HZ LYS 59 4.278 14.021 12.197 492 H GLU 60 H GLU 60 1.444 8.191 11.244 493 HA GLU 60 HA GLU 60 3.526 6.263 11.035 494 HB2 GLU 60 2HB GLU 60 2.863 5.683 13.388 495 HB3 GLU 60 3HB GLU 60 3.127 7.402 13.137 496 HG2 GLU 60 2HG GLU 60 0.689 7.772 13.000 497 HG3 GLU 60 3HG GLU 60 0.411 6.052 13.250 498 H GLU 61 H GLU 61 0.035 6.086 10.756 499 HA GLU 61 HA GLU 61 -0.103 3.200 11.066 500 HB2 GLU 61 2HB GLU 61 -2.264 5.210 10.325 501 HB3 GLU 61 3HB GLU 61 -2.533 3.514 10.718 502 HG2 GLU 61 2HG GLU 61 -1.637 3.931 13.013 503 HG3 GLU 61 3HG GLU 61 -1.463 5.639 12.606 504 H LEU 62 H LEU 62 -0.160 5.535 8.378 505 HA LEU 62 HA LEU 62 -0.696 3.488 6.404 506 HB2 LEU 62 2HB LEU 62 -0.292 5.217 4.714 507 HB3 LEU 62 3HB LEU 62 -1.437 5.725 5.931 508 HG LEU 62 HG LEU 62 0.664 6.967 6.991 509 HD11 LEU 62 1HD1 LEU 62 1.544 6.761 4.099 510 HD12 LEU 62 2HD1 LEU 62 2.371 6.078 5.499 511 HD13 LEU 62 3HD1 LEU 62 2.248 7.827 5.321 512 HD21 LEU 62 1HD2 LEU 62 -1.351 8.110 6.198 513 HD22 LEU 62 2HD2 LEU 62 -0.757 8.051 4.537 514 HD23 LEU 62 3HD2 LEU 62 0.097 9.009 5.749 515 H LYS 63 H LYS 63 2.137 4.733 8.020 516 HA LYS 63 HA LYS 63 4.118 3.499 6.405 517 HB2 LYS 63 2HB LYS 63 4.096 4.125 9.381 518 HB3 LYS 63 3HB LYS 63 5.476 3.368 8.591 519 HG2 LYS 63 2HG LYS 63 5.703 5.340 7.109 520 HG3 LYS 63 3HG LYS 63 4.343 6.103 7.934 521 HD2 LYS 63 2HD LYS 63 6.459 6.980 8.821 522 HD3 LYS 63 3HD LYS 63 5.616 6.062 10.068 523 HE2 LYS 63 2HE LYS 63 7.088 4.132 9.665 524 HE3 LYS 63 3HE LYS 63 7.904 5.003 8.366 525 HZ1 LYS 63 1HZ LYS 63 7.913 5.732 11.250 526 HZ2 LYS 63 2HZ LYS 63 8.637 6.635 10.022 527 HZ3 LYS 63 3HZ LYS 63 9.202 5.082 10.367 528 H LYS 64 H LYS 64 1.705 2.132 8.563 529 HA LYS 64 HA LYS 64 2.978 -0.395 8.992 530 HB2 LYS 64 2HB LYS 64 0.017 0.323 9.042 531 HB3 LYS 64 3HB LYS 64 0.660 -1.236 9.544 532 HG2 LYS 64 2HG LYS 64 1.324 1.427 10.831 533 HG3 LYS 64 3HG LYS 64 0.161 0.261 11.455 534 HD2 LYS 64 2HD LYS 64 3.145 -0.259 11.120 535 HD3 LYS 64 3HD LYS 64 2.352 0.174 12.634 536 HE2 LYS 64 2HE LYS 64 0.966 -1.912 12.443 537 HE3 LYS 64 3HE LYS 64 1.909 -2.362 11.021 538 HZ1 LYS 64 1HZ LYS 64 2.708 -3.421 13.068 539 HZ2 LYS 64 2HZ LYS 64 3.040 -1.907 13.734 540 HZ3 LYS 64 3HZ LYS 64 3.892 -2.435 12.376 541 H LEU 65 H LEU 65 1.239 1.024 6.316 542 HA LEU 65 HA LEU 65 0.694 -1.384 4.847 543 HB2 LEU 65 2HB LEU 65 1.059 1.494 3.903 544 HB3 LEU 65 3HB LEU 65 0.425 0.196 2.907 545 HG LEU 65 HG LEU 65 -0.888 1.259 5.438 546 HD11 LEU 65 1HD1 LEU 65 -1.690 1.677 2.545 547 HD12 LEU 65 2HD1 LEU 65 -1.002 2.891 3.626 548 HD13 LEU 65 3HD1 LEU 65 -2.589 2.216 3.965 549 HD21 LEU 65 1HD2 LEU 65 -2.797 -0.158 4.836 550 HD22 LEU 65 2HD2 LEU 65 -1.348 -1.131 5.108 551 HD23 LEU 65 3HD2 LEU 65 -1.900 -0.807 3.460 552 H LEU 66 H LEU 66 3.357 0.925 5.000 553 HA LEU 66 HA LEU 66 4.993 -0.136 2.938 554 HB2 LEU 66 2HB LEU 66 5.936 1.373 5.406 555 HB3 LEU 66 3HB LEU 66 6.776 1.235 3.869 556 HG LEU 66 HG LEU 66 4.249 2.828 4.438 557 HD11 LEU 66 1HD1 LEU 66 7.017 3.743 3.598 558 HD12 LEU 66 2HD1 LEU 66 6.316 3.886 5.213 559 HD13 LEU 66 3HD1 LEU 66 5.611 4.776 3.868 560 HD21 LEU 66 1HD2 LEU 66 4.305 3.564 2.080 561 HD22 LEU 66 2HD2 LEU 66 3.998 1.836 2.225 562 HD23 LEU 66 3HD2 LEU 66 5.599 2.408 1.749 563 H GLU 67 H GLU 67 4.677 -0.843 6.397 564 HA GLU 67 HA GLU 67 6.788 -2.681 6.712 565 HB2 GLU 67 2HB GLU 67 4.060 -2.836 8.080 566 HB3 GLU 67 3HB GLU 67 5.547 -3.593 8.639 567 HG2 GLU 67 2HG GLU 67 4.915 -0.640 8.559 568 HG3 GLU 67 3HG GLU 67 5.054 -1.654 9.989 569 H ARG 68 H ARG 68 3.337 -3.245 5.885 570 HA ARG 68 HA ARG 68 3.467 -6.048 5.811 571 HB2 ARG 68 2HB ARG 68 1.547 -4.265 4.238 572 HB3 ARG 68 3HB ARG 68 1.311 -5.976 4.580 573 HG2 ARG 68 2HG ARG 68 1.315 -3.706 6.586 574 HG3 ARG 68 3HG ARG 68 -0.072 -4.661 6.072 575 HD2 ARG 68 2HD ARG 68 0.858 -6.638 7.121 576 HD3 ARG 68 3HD ARG 68 2.336 -5.772 7.533 577 HE ARG 68 HE ARG 68 -0.272 -4.947 8.648 578 HH11 ARG 68 1HH1 ARG 68 3.023 -6.077 9.176 579 HH12 ARG 68 2HH1 ARG 68 2.953 -5.836 10.894 580 HH21 ARG 68 1HH2 ARG 68 -0.363 -4.689 10.901 581 HH22 ARG 68 2HH2 ARG 68 1.030 -5.049 11.873 582 H ILE 69 H ILE 69 3.864 -3.686 3.187 583 HA ILE 69 HA ILE 69 4.028 -5.503 1.026 584 HB ILE 69 HB ILE 69 5.199 -2.682 1.275 585 HG12 ILE 69 2HG1 ILE 69 2.573 -3.587 0.001 586 HG13 ILE 69 3HG1 ILE 69 2.703 -2.849 1.587 587 HG21 ILE 69 1HG2 ILE 69 5.248 -2.625 -1.208 588 HG22 ILE 69 2HG2 ILE 69 4.739 -4.314 -1.256 589 HG23 ILE 69 3HG2 ILE 69 6.307 -3.889 -0.570 590 HD11 ILE 69 1HD1 ILE 69 3.536 -0.792 0.542 591 HD12 ILE 69 2HD1 ILE 69 1.937 -1.254 -0.039 592 HD13 ILE 69 3HD1 ILE 69 3.355 -1.539 -1.048 593 H ARG 70 H ARG 70 6.594 -3.981 3.074 594 HA ARG 70 HA ARG 70 8.782 -5.084 1.671 595 HB2 ARG 70 2HB ARG 70 10.247 -4.366 3.362 596 HB3 ARG 70 3HB ARG 70 8.950 -3.186 3.400 597 HG2 ARG 70 2HG ARG 70 8.154 -3.935 5.484 598 HG3 ARG 70 3HG ARG 70 8.972 -5.495 5.350 599 HD2 ARG 70 2HD ARG 70 10.028 -3.930 7.001 600 HD3 ARG 70 3HD ARG 70 11.123 -4.483 5.739 601 HE ARG 70 HE ARG 70 11.070 -2.336 4.760 602 HH11 ARG 70 1HH1 ARG 70 9.339 -2.413 7.812 603 HH12 ARG 70 2HH1 ARG 70 9.378 -0.694 8.019 604 HH21 ARG 70 1HH2 ARG 70 11.154 -0.086 5.061 605 HH22 ARG 70 2HH2 ARG 70 10.413 0.630 6.458 606 H GLU 71 H GLU 71 6.823 -6.287 4.337 607 HA GLU 71 HA GLU 71 8.385 -8.504 5.091 608 HB2 GLU 71 2HB GLU 71 5.372 -8.058 5.355 609 HB3 GLU 71 3HB GLU 71 6.256 -9.358 6.148 610 HG2 GLU 71 2HG GLU 71 7.578 -7.700 7.406 611 HG3 GLU 71 3HG GLU 71 6.724 -6.401 6.602 612 H LYS 72 H LYS 72 6.121 -8.034 2.431 613 HA LYS 72 HA LYS 72 5.740 -10.874 1.941 614 HB2 LYS 72 2HB LYS 72 4.993 -8.537 0.122 615 HB3 LYS 72 3HB LYS 72 4.451 -10.201 -0.041 616 HG2 LYS 72 2HG LYS 72 3.628 -8.146 2.000 617 HG3 LYS 72 3HG LYS 72 2.612 -9.062 0.891 618 HD2 LYS 72 2HD LYS 72 3.118 -11.134 2.199 619 HD3 LYS 72 3HD LYS 72 4.074 -10.162 3.322 620 HE2 LYS 72 2HE LYS 72 1.089 -9.954 2.832 621 HE3 LYS 72 3HE LYS 72 1.883 -10.575 4.276 622 HZ1 LYS 72 1HZ LYS 72 1.859 -7.777 3.301 623 HZ2 LYS 72 2HZ LYS 72 2.852 -8.313 4.562 624 HZ3 LYS 72 3HZ LYS 72 1.171 -8.383 4.721 625 H ILE 73 H ILE 73 7.478 -8.170 0.327 626 HA ILE 73 HA ILE 73 8.524 -9.765 -1.783 627 HB ILE 73 HB ILE 73 10.028 -7.873 -2.349 628 HG12 ILE 73 2HG1 ILE 73 9.532 -5.644 -0.941 629 HG13 ILE 73 3HG1 ILE 73 9.205 -6.778 0.358 630 HG21 ILE 73 1HG2 ILE 73 8.276 -6.204 -2.863 631 HG22 ILE 73 2HG2 ILE 73 7.183 -7.003 -1.731 632 HG23 ILE 73 3HG2 ILE 73 7.729 -7.854 -3.177 633 HD11 ILE 73 1HD1 ILE 73 11.470 -5.876 0.447 634 HD12 ILE 73 2HD1 ILE 73 11.812 -6.529 -1.154 635 HD13 ILE 73 3HD1 ILE 73 11.500 -7.621 0.198 636 H GLU 74 H GLU 74 9.685 -9.196 1.484 637 HA GLU 74 HA GLU 74 12.342 -10.299 0.966 638 HB2 GLU 74 2HB GLU 74 12.824 -9.847 3.318 639 HB3 GLU 74 3HB GLU 74 12.055 -8.439 2.595 640 HG2 GLU 74 2HG GLU 74 9.893 -9.164 3.588 641 HG3 GLU 74 3HG GLU 74 10.745 -10.471 4.405 642 H ARG 75 H ARG 75 9.281 -11.411 2.496 643 HA ARG 75 HA ARG 75 10.407 -13.861 3.516 644 HB2 ARG 75 2HB ARG 75 8.234 -14.491 4.205 645 HB3 ARG 75 3HB ARG 75 8.235 -12.739 4.345 646 HG2 ARG 75 2HG ARG 75 6.987 -12.563 2.217 647 HG3 ARG 75 3HG ARG 75 7.013 -14.316 2.058 648 HD2 ARG 75 2HD ARG 75 5.772 -14.364 4.327 649 HD3 ARG 75 3HD ARG 75 5.494 -12.636 4.062 650 HE ARG 75 HE ARG 75 4.725 -14.233 1.803 651 HH11 ARG 75 1HH1 ARG 75 3.576 -13.135 4.960 652 HH12 ARG 75 2HH1 ARG 75 1.903 -13.333 4.547 653 HH21 ARG 75 1HH2 ARG 75 2.533 -14.518 1.299 654 HH22 ARG 75 2HH2 ARG 75 1.313 -14.117 2.469 655 H GLU 76 H GLU 76 9.121 -12.863 0.456 656 HA GLU 76 HA GLU 76 9.162 -15.597 -0.604 657 HB2 GLU 76 2HB GLU 76 8.394 -12.981 -1.956 658 HB3 GLU 76 3HB GLU 76 8.251 -14.583 -2.671 659 HG2 GLU 76 2HG GLU 76 6.705 -13.493 -0.304 660 HG3 GLU 76 3HG GLU 76 6.080 -13.871 -1.906 661 H GLY 77 H GLY 77 10.967 -12.583 -0.711 662 HA2 GLY 77 2HA GLY 77 12.949 -11.947 -1.665 663 HA3 GLY 77 3HA GLY 77 13.380 -13.650 -1.692 664 H SER 78 H SER 78 10.554 -12.548 -3.363 665 HA SER 78 HA SER 78 11.746 -13.383 -5.933 666 HB2 SER 78 2HB SER 78 8.819 -13.371 -5.064 667 HB3 SER 78 3HB SER 78 9.456 -14.025 -6.576 668 HG SER 78 HG SER 78 10.584 -15.010 -4.229 669 H SER 79 H SER 79 11.572 -12.077 -7.696 670 HA SER 79 HA SER 79 10.945 -9.296 -7.440 671 HB2 SER 79 2HB SER 79 11.545 -10.968 -9.916 672 HB3 SER 79 3HB SER 79 11.576 -9.204 -9.834 673 HG SER 79 HG SER 79 13.600 -9.528 -9.340 674 H GLU 80 H GLU 80 9.016 -12.014 -7.964 675 HA GLU 80 HA GLU 80 7.005 -11.014 -9.731 676 HB2 GLU 80 2HB GLU 80 7.646 -13.501 -8.926 677 HB3 GLU 80 3HB GLU 80 6.476 -13.183 -7.662 678 HG2 GLU 80 2HG GLU 80 5.971 -13.266 -10.652 679 HG3 GLU 80 3HG GLU 80 5.447 -14.442 -9.457 680 H VAL 81 H VAL 81 6.295 -8.955 -8.941 681 HA VAL 81 HA VAL 81 4.594 -9.014 -6.549 682 HB VAL 81 HB VAL 81 6.698 -8.211 -5.631 683 HG11 VAL 81 1HG1 VAL 81 7.851 -6.180 -6.393 684 HG12 VAL 81 2HG1 VAL 81 6.707 -6.018 -7.728 685 HG13 VAL 81 3HG1 VAL 81 7.796 -7.405 -7.663 686 HG21 VAL 81 1HG2 VAL 81 6.007 -6.041 -4.668 687 HG22 VAL 81 2HG2 VAL 81 4.656 -7.175 -4.719 688 HG23 VAL 81 3HG2 VAL 81 4.760 -5.876 -5.909 689 H GLU 82 H GLU 82 2.760 -7.882 -6.745 690 HA GLU 82 HA GLU 82 2.496 -5.665 -8.667 691 HB2 GLU 82 2HB GLU 82 1.638 -7.810 -9.742 692 HB3 GLU 82 3HB GLU 82 0.465 -7.942 -8.435 693 HG2 GLU 82 2HG GLU 82 -0.349 -5.592 -9.187 694 HG3 GLU 82 3HG GLU 82 0.589 -5.882 -10.648 695 H VAL 83 H VAL 83 2.109 -4.053 -7.175 696 HA VAL 83 HA VAL 83 0.295 -4.566 -4.893 697 HB VAL 83 HB VAL 83 2.160 -2.179 -5.372 698 HG11 VAL 83 1HG1 VAL 83 0.547 -2.924 -2.898 699 HG12 VAL 83 2HG1 VAL 83 0.219 -1.569 -3.980 700 HG13 VAL 83 3HG1 VAL 83 1.694 -1.585 -3.012 701 HG21 VAL 83 1HG2 VAL 83 3.600 -3.154 -3.613 702 HG22 VAL 83 2HG2 VAL 83 3.435 -4.261 -4.978 703 HG23 VAL 83 3HG2 VAL 83 2.523 -4.551 -3.495 704 H ASN 84 H ASN 84 -1.771 -4.178 -5.450 705 HA ASN 84 HA ASN 84 -2.532 -1.937 -7.214 706 HB2 ASN 84 2HB ASN 84 -4.069 -4.366 -6.151 707 HB3 ASN 84 3HB ASN 84 -4.821 -3.073 -7.073 708 HD21 ASN 84 1HD2 ASN 84 -1.596 -4.139 -7.986 709 HD22 ASN 84 2HD2 ASN 84 -2.102 -4.991 -9.390 710 H VAL 85 H VAL 85 -2.579 -0.121 -5.952 711 HA VAL 85 HA VAL 85 -3.774 -0.190 -3.269 712 HB VAL 85 HB VAL 85 -2.447 2.136 -4.758 713 HG11 VAL 85 1HG1 VAL 85 -3.435 1.993 -1.876 714 HG12 VAL 85 2HG1 VAL 85 -4.139 2.966 -3.169 715 HG13 VAL 85 3HG1 VAL 85 -2.517 3.329 -2.578 716 HG21 VAL 85 1HG2 VAL 85 -1.387 0.417 -2.478 717 HG22 VAL 85 2HG2 VAL 85 -0.568 1.817 -3.177 718 HG23 VAL 85 3HG2 VAL 85 -0.834 0.372 -4.155 719 H HIS 86 H HIS 86 -5.883 -0.053 -3.229 720 HA HIS 86 HA HIS 86 -7.447 1.477 -5.192 721 HB2 HIS 86 2HB HIS 86 -8.358 -0.323 -2.894 722 HB3 HIS 86 3HB HIS 86 -9.407 0.400 -4.109 723 HD1 HIS 86 HD1 HIS 86 -9.869 -1.018 -6.124 724 HD2 HIS 86 HD2 HIS 86 -6.503 -2.318 -4.068 725 HE1 HIS 86 HE1 HIS 86 -9.197 -3.173 -7.213 726 HE2 HIS 86 HE2 HIS 86 -7.342 -4.056 -5.771 727 H SER 87 H SER 87 -8.774 3.241 -4.464 728 HA SER 87 HA SER 87 -8.923 4.053 -1.722 729 HB2 SER 87 2HB SER 87 -6.626 4.870 -2.333 730 HB3 SER 87 3HB SER 87 -7.331 5.823 -3.637 731 HG SER 87 HG SER 87 -7.730 6.115 -0.853 732 H GLY 88 H GLY 88 -11.095 4.214 -1.868 733 HA2 GLY 88 2HA GLY 88 -13.182 5.003 -2.368 734 HA3 GLY 88 3HA GLY 88 -12.366 6.516 -2.702 735 H GLY 89 H GLY 89 -12.115 3.449 -4.517 736 HA2 GLY 89 2HA GLY 89 -13.337 2.936 -6.534 737 HA3 GLY 89 3HA GLY 89 -13.541 4.656 -6.835 738 H GLN 90 H GLN 90 -10.682 5.183 -6.146 739 HA GLN 90 HA GLN 90 -9.558 4.820 -8.800 740 HB2 GLN 90 2HB GLN 90 -8.347 6.055 -6.279 741 HB3 GLN 90 3HB GLN 90 -7.689 6.197 -7.908 742 HG2 GLN 90 2HG GLN 90 -9.659 7.470 -8.619 743 HG3 GLN 90 3HG GLN 90 -10.377 7.283 -7.020 744 HE21 GLN 90 1HE2 GLN 90 -7.934 7.748 -5.531 745 HE22 GLN 90 2HE2 GLN 90 -7.566 9.423 -5.702 746 H THR 91 H THR 91 -7.627 3.621 -9.287 747 HA THR 91 HA THR 91 -6.442 1.901 -7.229 748 HB THR 91 HB THR 91 -7.599 0.745 -9.814 749 HG1 THR 91 HG1 THR 91 -8.624 1.041 -7.280 750 HG21 THR 91 1HG2 THR 91 -6.918 -1.455 -8.888 751 HG22 THR 91 2HG2 THR 91 -6.157 -0.650 -7.516 752 HG23 THR 91 3HG2 THR 91 -5.511 -0.419 -9.144 753 H TRP 92 H TRP 92 -4.317 2.376 -7.384 754 HA TRP 92 HA TRP 92 -3.013 2.793 -9.995 755 HB2 TRP 92 2HB TRP 92 -1.872 3.071 -7.167 756 HB3 TRP 92 3HB TRP 92 -1.054 3.524 -8.661 757 HD1 TRP 92 HD1 TRP 92 -1.678 5.906 -9.712 758 HE1 TRP 92 HE1 TRP 92 -3.098 7.880 -8.873 759 HE3 TRP 92 HE3 TRP 92 -3.991 3.631 -5.772 760 HZ2 TRP 92 HZ2 TRP 92 -4.952 8.402 -6.813 761 HZ3 TRP 92 HZ3 TRP 92 -5.573 4.922 -4.419 762 HH2 TRP 92 HH2 TRP 92 -6.046 7.266 -4.928 763 H THR 93 H THR 93 -2.314 0.965 -10.953 764 HA THR 93 HA THR 93 -1.577 -1.405 -9.385 765 HB THR 93 HB THR 93 -1.373 -2.458 -11.733 766 HG1 THR 93 HG1 THR 93 -2.938 -0.297 -12.656 767 HG21 THR 93 1HG2 THR 93 -3.364 -2.844 -10.330 768 HG22 THR 93 2HG2 THR 93 -3.821 -2.690 -12.027 769 HG23 THR 93 3HG2 THR 93 -4.087 -1.345 -10.918 770 H PHE 94 H PHE 94 0.391 -1.146 -8.563 771 HA PHE 94 HA PHE 94 2.684 -0.197 -10.099 772 HB2 PHE 94 2HB PHE 94 2.500 -1.258 -7.230 773 HB3 PHE 94 3HB PHE 94 3.933 -0.541 -7.962 774 HD1 PHE 94 HD1 PHE 94 3.991 1.911 -8.472 775 HD2 PHE 94 HD2 PHE 94 0.698 0.146 -6.377 776 HE1 PHE 94 HE1 PHE 94 3.259 4.140 -7.725 777 HE2 PHE 94 HE2 PHE 94 -0.021 2.380 -5.639 778 HZ PHE 94 HZ PHE 94 1.255 4.377 -6.312 779 H ASN 95 H ASN 95 3.847 -1.563 -11.267 780 HA ASN 95 HA ASN 95 3.421 -4.469 -11.085 781 HB2 ASN 95 2HB ASN 95 4.721 -2.808 -13.294 782 HB3 ASN 95 3HB ASN 95 4.386 -4.537 -13.372 783 HD21 ASN 95 1HD2 ASN 95 2.275 -5.223 -13.798 784 HD22 ASN 95 2HD2 ASN 95 1.022 -4.135 -14.274 785 H GLU 96 H GLU 96 5.259 -5.907 -11.306 786 HA GLU 96 HA GLU 96 7.470 -5.478 -9.696 787 HB2 GLU 96 2HB GLU 96 8.467 -7.471 -10.728 788 HB3 GLU 96 3HB GLU 96 6.759 -7.722 -10.401 789 HG2 GLU 96 2HG GLU 96 6.221 -7.411 -12.772 790 HG3 GLU 96 3HG GLU 96 7.909 -7.045 -13.131 791 H LYS 97 H LYS 97 9.648 -5.014 -10.094 792 HA LYS 97 HA LYS 97 10.169 -3.315 -12.457 793 HB2 LYS 97 2HB LYS 97 12.046 -2.382 -10.940 794 HB3 LYS 97 3HB LYS 97 10.389 -1.970 -10.529 795 HG2 LYS 97 2HG LYS 97 10.389 -3.660 -8.736 796 HG3 LYS 97 3HG LYS 97 12.038 -4.123 -9.154 797 HD2 LYS 97 2HD LYS 97 11.141 -1.415 -8.085 798 HD3 LYS 97 3HD LYS 97 12.022 -2.653 -7.187 799 HE2 LYS 97 2HE LYS 97 13.058 -1.112 -9.590 800 HE3 LYS 97 3HE LYS 97 13.542 -0.877 -7.914 801 HZ1 LYS 97 1HZ LYS 97 14.476 -3.079 -7.886 802 HZ2 LYS 97 2HZ LYS 97 15.138 -2.199 -9.166 803 HZ3 LYS 97 3HZ LYS 97 13.960 -3.370 -9.469 Start of MODEL 18 1 H1 MET 1 1H MET 1 18.736 -14.976 -47.066 2 H2 MET 1 2H MET 1 18.626 -15.763 -45.577 3 H3 MET 1 3H MET 1 19.718 -16.310 -46.738 4 HA MET 1 HA MET 1 20.817 -15.109 -44.968 5 HB2 MET 1 2HB MET 1 21.703 -15.122 -47.339 6 HB3 MET 1 3HB MET 1 20.892 -13.582 -47.613 7 HG2 MET 1 2HG MET 1 23.267 -13.233 -47.155 8 HG3 MET 1 3HG MET 1 22.292 -12.548 -45.853 9 HE1 MET 1 1HE MET 1 25.518 -13.891 -43.979 10 HE2 MET 1 2HE MET 1 24.498 -12.475 -44.256 11 HE3 MET 1 3HE MET 1 25.458 -13.158 -45.574 12 H GLY 2 H GLY 2 20.209 -13.813 -43.347 13 HA2 GLY 2 2HA GLY 2 19.791 -11.128 -43.322 14 HA3 GLY 2 3HA GLY 2 18.176 -11.770 -43.615 15 H HIS 3 H HIS 3 20.904 -11.811 -41.378 16 HA HIS 3 HA HIS 3 19.518 -13.319 -39.329 17 HB2 HIS 3 2HB HIS 3 22.184 -11.827 -39.261 18 HB3 HIS 3 3HB HIS 3 21.570 -12.834 -37.956 19 HD1 HIS 3 HD1 HIS 3 21.637 -15.396 -38.293 20 HD2 HIS 3 HD2 HIS 3 23.267 -13.233 -41.445 21 HE1 HIS 3 HE1 HIS 3 22.892 -17.069 -39.686 22 HE2 HIS 3 HE2 HIS 3 23.843 -15.740 -41.596 23 H HIS 4 H HIS 4 19.335 -12.443 -37.098 24 HA HIS 4 HA HIS 4 18.409 -9.616 -37.045 25 HB2 HIS 4 2HB HIS 4 17.311 -11.986 -35.444 26 HB3 HIS 4 3HB HIS 4 16.764 -10.318 -35.315 27 HD1 HIS 4 HD1 HIS 4 14.709 -9.836 -36.606 28 HD2 HIS 4 HD2 HIS 4 16.824 -13.010 -38.262 29 HE1 HIS 4 HE1 HIS 4 13.268 -10.715 -38.461 30 HE2 HIS 4 HE2 HIS 4 14.587 -12.601 -39.482 31 H HIS 5 H HIS 5 19.680 -8.394 -35.792 32 HA HIS 5 HA HIS 5 21.460 -9.510 -33.779 33 HB2 HIS 5 2HB HIS 5 20.946 -6.619 -34.639 34 HB3 HIS 5 3HB HIS 5 22.165 -7.104 -33.463 35 HD1 HIS 5 HD1 HIS 5 22.321 -5.881 -36.610 36 HD2 HIS 5 HD2 HIS 5 23.646 -9.500 -35.081 37 HE1 HIS 5 HE1 HIS 5 24.162 -6.626 -38.139 38 HE2 HIS 5 HE2 HIS 5 24.917 -8.835 -37.210 39 H HIS 6 H HIS 6 21.109 -9.535 -31.634 40 HA HIS 6 HA HIS 6 19.100 -7.872 -30.330 41 HB2 HIS 6 2HB HIS 6 17.803 -9.883 -31.099 42 HB3 HIS 6 3HB HIS 6 18.914 -10.931 -30.226 43 HD1 HIS 6 HD1 HIS 6 15.999 -8.657 -29.746 44 HD2 HIS 6 HD2 HIS 6 18.563 -10.919 -27.390 45 HE1 HIS 6 HE1 HIS 6 14.950 -8.725 -27.472 46 HE2 HIS 6 HE2 HIS 6 16.410 -10.267 -26.141 47 H HIS 7 H HIS 7 20.643 -6.972 -29.060 48 HA HIS 7 HA HIS 7 22.710 -8.544 -27.751 49 HB2 HIS 7 2HB HIS 7 22.022 -5.584 -27.431 50 HB3 HIS 7 3HB HIS 7 23.476 -6.380 -26.835 51 HD1 HIS 7 HD1 HIS 7 22.387 -4.379 -29.558 52 HD2 HIS 7 HD2 HIS 7 24.962 -7.610 -29.175 53 HE1 HIS 7 HE1 HIS 7 23.825 -4.339 -31.611 54 HE2 HIS 7 HE2 HIS 7 25.245 -6.401 -31.435 55 H HIS 8 H HIS 8 22.635 -9.306 -25.708 56 HA HIS 8 HA HIS 8 20.263 -8.853 -24.033 57 HB2 HIS 8 2HB HIS 8 22.639 -10.748 -23.688 58 HB3 HIS 8 3HB HIS 8 21.254 -10.664 -22.600 59 HD1 HIS 8 HD1 HIS 8 22.436 -12.536 -25.406 60 HD2 HIS 8 HD2 HIS 8 18.711 -11.185 -24.162 61 HE1 HIS 8 HE1 HIS 8 20.758 -13.952 -26.615 62 HE2 HIS 8 HE2 HIS 8 18.534 -13.264 -25.673 63 H GLU 9 H GLU 9 20.284 -7.460 -22.349 64 HA GLU 9 HA GLU 9 22.616 -5.846 -21.836 65 HB2 GLU 9 2HB GLU 9 19.938 -5.816 -20.383 66 HB3 GLU 9 3HB GLU 9 21.179 -4.566 -20.306 67 HG2 GLU 9 2HG GLU 9 19.440 -5.311 -22.672 68 HG3 GLU 9 3HG GLU 9 19.437 -3.796 -21.771 69 H ASN 10 H ASN 10 23.662 -5.589 -19.830 70 HA ASN 10 HA ASN 10 24.216 -8.017 -18.430 71 HB2 ASN 10 2HB ASN 10 25.744 -6.660 -17.049 72 HB3 ASN 10 3HB ASN 10 25.942 -6.251 -18.748 73 HD21 ASN 10 1HD2 ASN 10 25.266 -4.209 -19.475 74 HD22 ASN 10 2HD2 ASN 10 24.908 -2.916 -18.387 75 H LEU 11 H LEU 11 23.870 -8.435 -16.188 76 HA LEU 11 HA LEU 11 21.733 -6.948 -14.819 77 HB2 LEU 11 2HB LEU 11 20.673 -8.853 -16.053 78 HB3 LEU 11 3HB LEU 11 21.727 -9.977 -15.207 79 HG LEU 11 HG LEU 11 20.668 -9.292 -13.033 80 HD11 LEU 11 1HD1 LEU 11 19.959 -7.033 -13.609 81 HD12 LEU 11 2HD1 LEU 11 18.596 -7.984 -13.024 82 HD13 LEU 11 3HD1 LEU 11 18.773 -7.671 -14.752 83 HD21 LEU 11 1HD2 LEU 11 18.558 -10.490 -13.361 84 HD22 LEU 11 2HD2 LEU 11 19.875 -11.285 -14.219 85 HD23 LEU 11 3HD2 LEU 11 18.706 -10.309 -15.112 86 H TYR 12 H TYR 12 22.341 -6.542 -12.811 87 HA TYR 12 HA TYR 12 24.253 -8.320 -11.403 88 HB2 TYR 12 2HB TYR 12 24.333 -5.270 -11.629 89 HB3 TYR 12 3HB TYR 12 25.205 -6.146 -10.375 90 HD1 TYR 12 HD1 TYR 12 27.123 -7.619 -10.955 91 HD2 TYR 12 HD2 TYR 12 25.133 -5.330 -13.970 92 HE1 TYR 12 HE1 TYR 12 28.977 -8.049 -12.506 93 HE2 TYR 12 HE2 TYR 12 26.993 -5.758 -15.518 94 HH TYR 12 HH TYR 12 29.403 -8.106 -14.897 95 H PHE 13 H PHE 13 24.340 -7.167 -8.990 96 HA PHE 13 HA PHE 13 22.107 -8.181 -7.686 97 HB2 PHE 13 2HB PHE 13 23.068 -7.261 -5.621 98 HB3 PHE 13 3HB PHE 13 24.341 -7.945 -6.617 99 HD1 PHE 13 HD1 PHE 13 25.738 -6.275 -8.067 100 HD2 PHE 13 HD2 PHE 13 23.290 -5.054 -4.776 101 HE1 PHE 13 HE1 PHE 13 27.001 -4.172 -7.898 102 HE2 PHE 13 HE2 PHE 13 24.562 -2.953 -4.612 103 HZ PHE 13 HZ PHE 13 26.416 -2.512 -6.174 104 H GLN 14 H GLN 14 20.287 -7.306 -6.802 105 HA GLN 14 HA GLN 14 19.712 -4.426 -7.216 106 HB2 GLN 14 2HB GLN 14 18.309 -5.984 -8.652 107 HB3 GLN 14 3HB GLN 14 17.685 -6.719 -7.177 108 HG2 GLN 14 2HG GLN 14 16.878 -4.367 -6.520 109 HG3 GLN 14 3HG GLN 14 17.246 -3.889 -8.177 110 HE21 GLN 14 1HE2 GLN 14 15.149 -5.774 -6.132 111 HE22 GLN 14 2HE2 GLN 14 13.937 -6.092 -7.324 112 H SER 15 H SER 15 18.889 -3.340 -5.453 113 HA SER 15 HA SER 15 19.198 -4.466 -2.833 114 HB2 SER 15 2HB SER 15 18.418 -2.166 -2.118 115 HB3 SER 15 3HB SER 15 19.786 -2.131 -3.233 116 HG SER 15 HG SER 15 18.501 -0.755 -4.214 117 H HIS 16 H HIS 16 17.422 -4.232 -1.184 118 HA HIS 16 HA HIS 16 15.083 -5.681 -1.920 119 HB2 HIS 16 2HB HIS 16 14.377 -5.219 0.499 120 HB3 HIS 16 3HB HIS 16 15.908 -6.053 0.283 121 HD1 HIS 16 HD1 HIS 16 16.885 -5.348 2.522 122 HD2 HIS 16 HD2 HIS 16 15.718 -2.105 0.216 123 HE1 HIS 16 HE1 HIS 16 17.794 -3.320 3.688 124 HE2 HIS 16 HE2 HIS 16 16.927 -1.380 2.359 125 H MET 17 H MET 17 15.798 -2.300 -1.903 126 HA MET 17 HA MET 17 14.703 -0.472 -2.627 127 HB2 MET 17 2HB MET 17 12.570 -2.425 -3.600 128 HB3 MET 17 3HB MET 17 12.684 -0.739 -4.080 129 HG2 MET 17 2HG MET 17 14.792 -1.169 -5.226 130 HG3 MET 17 3HG MET 17 14.789 -2.840 -4.658 131 HE1 MET 17 1HE MET 17 11.604 -3.561 -5.021 132 HE2 MET 17 2HE MET 17 12.938 -4.649 -5.410 133 HE3 MET 17 3HE MET 17 11.689 -4.322 -6.609 134 H THR 18 H THR 18 13.970 -1.786 0.101 135 HA THR 18 HA THR 18 11.243 -1.257 0.665 136 HB THR 18 HB THR 18 11.920 -1.427 3.089 137 HG1 THR 18 HG1 THR 18 13.973 -1.377 3.643 138 HG21 THR 18 1HG2 THR 18 13.104 -3.600 1.307 139 HG22 THR 18 2HG2 THR 18 11.414 -3.500 1.815 140 HG23 THR 18 3HG2 THR 18 12.681 -3.777 3.014 141 H ASP 19 H ASP 19 13.937 0.885 0.401 142 HA ASP 19 HA ASP 19 12.694 3.051 1.899 143 HB2 ASP 19 2HB ASP 19 14.677 4.372 1.261 144 HB3 ASP 19 3HB ASP 19 15.152 2.825 1.941 145 H GLU 20 H GLU 20 13.533 2.391 -1.543 146 HA GLU 20 HA GLU 20 12.351 4.851 -2.485 147 HB2 GLU 20 2HB GLU 20 13.565 2.477 -3.961 148 HB3 GLU 20 3HB GLU 20 12.962 3.919 -4.772 149 HG2 GLU 20 2HG GLU 20 15.196 3.894 -2.724 150 HG3 GLU 20 3HG GLU 20 15.423 3.914 -4.470 151 H LEU 21 H LEU 21 11.621 1.384 -3.093 152 HA LEU 21 HA LEU 21 9.340 1.679 -4.657 153 HB2 LEU 21 2HB LEU 21 10.438 -0.483 -4.449 154 HB3 LEU 21 3HB LEU 21 10.124 -0.531 -2.722 155 HG LEU 21 HG LEU 21 7.679 -0.783 -3.178 156 HD11 LEU 21 1HD1 LEU 21 8.462 -0.919 -6.102 157 HD12 LEU 21 2HD1 LEU 21 7.511 0.349 -5.322 158 HD13 LEU 21 3HD1 LEU 21 6.865 -1.285 -5.438 159 HD21 LEU 21 1HD2 LEU 21 7.745 -3.113 -3.980 160 HD22 LEU 21 2HD2 LEU 21 9.021 -2.790 -2.808 161 HD23 LEU 21 3HD2 LEU 21 9.408 -2.884 -4.530 162 H LEU 22 H LEU 22 9.570 1.217 -1.122 163 HA LEU 22 HA LEU 22 6.772 1.429 -0.665 164 HB2 LEU 22 2HB LEU 22 9.088 1.700 1.275 165 HB3 LEU 22 3HB LEU 22 7.399 1.571 1.741 166 HG LEU 22 HG LEU 22 9.055 -0.571 0.358 167 HD11 LEU 22 1HD1 LEU 22 8.766 -1.836 2.421 168 HD12 LEU 22 2HD1 LEU 22 7.839 -0.517 3.139 169 HD13 LEU 22 3HD1 LEU 22 9.547 -0.292 2.752 170 HD21 LEU 22 1HD2 LEU 22 7.086 -2.037 0.568 171 HD22 LEU 22 2HD2 LEU 22 6.776 -0.676 -0.505 172 HD23 LEU 22 3HD2 LEU 22 6.120 -0.673 1.136 173 H GLU 23 H GLU 23 9.336 3.839 -0.880 174 HA GLU 23 HA GLU 23 8.046 6.011 0.389 175 HB2 GLU 23 2HB GLU 23 10.432 6.063 -0.316 176 HB3 GLU 23 3HB GLU 23 9.935 6.117 -2.004 177 HG2 GLU 23 2HG GLU 23 8.903 8.304 -1.671 178 HG3 GLU 23 3HG GLU 23 9.253 8.243 0.057 179 H ARG 24 H ARG 24 7.772 4.654 -2.867 180 HA ARG 24 HA ARG 24 6.160 6.664 -4.056 181 HB2 ARG 24 2HB ARG 24 5.944 3.708 -4.748 182 HB3 ARG 24 3HB ARG 24 5.669 5.086 -5.805 183 HG2 ARG 24 2HG ARG 24 8.321 4.049 -4.775 184 HG3 ARG 24 3HG ARG 24 7.730 4.011 -6.436 185 HD2 ARG 24 2HD ARG 24 7.862 6.474 -6.542 186 HD3 ARG 24 3HD ARG 24 8.428 6.525 -4.867 187 HE ARG 24 HE ARG 24 9.911 5.292 -7.119 188 HH11 ARG 24 1HH1 ARG 24 9.949 7.021 -4.054 189 HH12 ARG 24 2HH1 ARG 24 11.674 7.149 -4.005 190 HH21 ARG 24 1HH2 ARG 24 12.153 5.430 -7.033 191 HH22 ARG 24 2HH2 ARG 24 12.926 6.238 -5.709 192 H LEU 25 H LEU 25 5.480 3.969 -1.903 193 HA LEU 25 HA LEU 25 2.611 4.066 -2.201 194 HB2 LEU 25 2HB LEU 25 4.453 2.587 -0.284 195 HB3 LEU 25 3HB LEU 25 2.716 2.578 -0.066 196 HG LEU 25 HG LEU 25 3.195 0.553 -1.183 197 HD11 LEU 25 1HD1 LEU 25 2.064 0.725 -3.330 198 HD12 LEU 25 2HD1 LEU 25 2.257 2.478 -3.318 199 HD13 LEU 25 3HD1 LEU 25 1.258 1.685 -2.094 200 HD21 LEU 25 1HD2 LEU 25 5.480 0.998 -1.920 201 HD22 LEU 25 2HD2 LEU 25 4.884 2.040 -3.213 202 HD23 LEU 25 3HD2 LEU 25 4.518 0.311 -3.228 203 H ARG 26 H ARG 26 5.013 5.244 0.141 204 HA ARG 26 HA ARG 26 3.287 6.172 2.135 205 HB2 ARG 26 2HB ARG 26 5.686 5.985 2.540 206 HB3 ARG 26 3HB ARG 26 6.040 7.207 1.326 207 HG2 ARG 26 2HG ARG 26 5.010 8.944 2.707 208 HG3 ARG 26 3HG ARG 26 4.464 7.745 3.877 209 HD2 ARG 26 2HD ARG 26 7.360 8.393 3.257 210 HD3 ARG 26 3HD ARG 26 6.459 8.991 4.652 211 HE ARG 26 HE ARG 26 6.161 6.387 5.007 212 HH11 ARG 26 1HH1 ARG 26 9.086 8.134 4.138 213 HH12 ARG 26 2HH1 ARG 26 10.145 6.985 4.900 214 HH21 ARG 26 1HH2 ARG 26 7.562 4.895 6.007 215 HH22 ARG 26 2HH2 ARG 26 9.275 5.145 5.958 216 H GLN 27 H GLN 27 4.731 7.921 -0.618 217 HA GLN 27 HA GLN 27 3.597 10.440 -0.116 218 HB2 GLN 27 2HB GLN 27 4.374 9.269 -2.820 219 HB3 GLN 27 3HB GLN 27 4.141 10.976 -2.467 220 HG2 GLN 27 2HG GLN 27 6.351 9.187 -1.426 221 HG3 GLN 27 3HG GLN 27 6.503 10.486 -2.601 222 HE21 GLN 27 1HE2 GLN 27 6.317 9.676 0.740 223 HE22 GLN 27 2HE2 GLN 27 6.576 11.259 1.370 224 H LEU 28 H LEU 28 2.418 7.655 -1.969 225 HA LEU 28 HA LEU 28 0.148 8.898 -3.141 226 HB2 LEU 28 2HB LEU 28 1.178 6.800 -3.991 227 HB3 LEU 28 3HB LEU 28 0.661 5.958 -2.539 228 HG LEU 28 HG LEU 28 -1.719 6.271 -3.182 229 HD11 LEU 28 1HD1 LEU 28 -0.652 7.597 -5.692 230 HD12 LEU 28 2HD1 LEU 28 -1.552 8.384 -4.392 231 HD13 LEU 28 3HD1 LEU 28 -2.336 7.158 -5.384 232 HD21 LEU 28 1HD2 LEU 28 -0.062 5.037 -5.406 233 HD22 LEU 28 2HD2 LEU 28 -1.772 4.729 -5.080 234 HD23 LEU 28 3HD2 LEU 28 -0.551 4.238 -3.907 235 H PHE 29 H PHE 29 0.597 6.984 -0.165 236 HA PHE 29 HA PHE 29 -2.131 6.978 0.659 237 HB2 PHE 29 2HB PHE 29 0.376 6.643 2.360 238 HB3 PHE 29 3HB PHE 29 -1.262 6.290 2.894 239 HD1 PHE 29 HD1 PHE 29 -2.129 4.929 0.204 240 HD2 PHE 29 HD2 PHE 29 1.255 4.455 2.784 241 HE1 PHE 29 HE1 PHE 29 -1.845 2.613 -0.560 242 HE2 PHE 29 HE2 PHE 29 1.518 2.143 2.003 243 HZ PHE 29 HZ PHE 29 -0.028 1.220 0.336 244 H GLU 30 H GLU 30 0.466 9.299 0.932 245 HA GLU 30 HA GLU 30 -0.799 10.962 2.928 246 HB2 GLU 30 2HB GLU 30 1.552 11.487 1.069 247 HB3 GLU 30 3HB GLU 30 0.967 12.648 2.260 248 HG2 GLU 30 2HG GLU 30 1.439 11.032 4.075 249 HG3 GLU 30 3HG GLU 30 2.047 9.882 2.887 250 H GLU 31 H GLU 31 -0.705 10.856 -0.608 251 HA GLU 31 HA GLU 31 -2.207 13.188 -1.171 252 HB2 GLU 31 2HB GLU 31 -2.191 10.517 -2.661 253 HB3 GLU 31 3HB GLU 31 -2.843 12.021 -3.301 254 HG2 GLU 31 2HG GLU 31 0.063 11.587 -2.560 255 HG3 GLU 31 3HG GLU 31 -0.587 11.419 -4.188 256 H LEU 32 H LEU 32 -3.093 9.944 -0.169 257 HA LEU 32 HA LEU 32 -5.968 10.443 -0.270 258 HB2 LEU 32 2HB LEU 32 -4.380 8.067 0.778 259 HB3 LEU 32 3HB LEU 32 -6.115 8.095 0.487 260 HG LEU 32 HG LEU 32 -4.004 8.434 -1.684 261 HD11 LEU 32 1HD1 LEU 32 -4.565 6.174 -2.433 262 HD12 LEU 32 2HD1 LEU 32 -5.637 5.965 -1.044 263 HD13 LEU 32 3HD1 LEU 32 -3.900 6.171 -0.799 264 HD21 LEU 32 1HD2 LEU 32 -5.843 8.162 -3.273 265 HD22 LEU 32 2HD2 LEU 32 -6.098 9.565 -2.239 266 HD23 LEU 32 3HD2 LEU 32 -7.003 8.075 -1.946 267 H HIS 33 H HIS 33 -3.406 10.668 2.075 268 HA HIS 33 HA HIS 33 -4.828 10.248 4.493 269 HB2 HIS 33 2HB HIS 33 -2.392 10.123 4.467 270 HB3 HIS 33 3HB HIS 33 -2.253 11.797 3.946 271 HD1 HIS 33 HD1 HIS 33 -3.726 9.955 6.957 272 HD2 HIS 33 HD2 HIS 33 -1.620 13.410 6.031 273 HE1 HIS 33 HE1 HIS 33 -3.310 11.101 9.152 274 HE2 HIS 33 HE2 HIS 33 -1.983 13.151 8.565 275 H GLU 34 H GLU 34 -4.440 13.084 2.469 276 HA GLU 34 HA GLU 34 -5.221 15.094 4.305 277 HB2 GLU 34 2HB GLU 34 -5.599 16.519 2.338 278 HB3 GLU 34 3HB GLU 34 -4.109 15.601 2.151 279 HG2 GLU 34 2HG GLU 34 -5.247 14.025 0.636 280 HG3 GLU 34 3HG GLU 34 -6.765 14.895 0.859 281 H ARG 35 H ARG 35 -7.073 12.748 2.496 282 HA ARG 35 HA ARG 35 -9.642 14.107 3.155 283 HB2 ARG 35 2HB ARG 35 -10.599 12.922 1.208 284 HB3 ARG 35 3HB ARG 35 -9.246 13.947 0.747 285 HG2 ARG 35 2HG ARG 35 -7.853 11.709 0.975 286 HG3 ARG 35 3HG ARG 35 -9.433 10.945 0.785 287 HD2 ARG 35 2HD ARG 35 -8.091 12.853 -1.155 288 HD3 ARG 35 3HD ARG 35 -8.303 11.113 -1.365 289 HE ARG 35 HE ARG 35 -10.821 11.793 -1.176 290 HH11 ARG 35 1HH1 ARG 35 -8.315 13.532 -2.921 291 HH12 ARG 35 2HH1 ARG 35 -9.411 14.179 -4.097 292 HH21 ARG 35 1HH2 ARG 35 -12.257 12.645 -2.738 293 HH22 ARG 35 2HH2 ARG 35 -11.640 13.677 -3.992 294 H GLY 36 H GLY 36 -7.666 11.459 3.873 295 HA2 GLY 36 2HA GLY 36 -7.869 9.734 5.336 296 HA3 GLY 36 3HA GLY 36 -9.342 10.485 5.911 297 H THR 37 H THR 37 -8.861 9.331 2.598 298 HA THR 37 HA THR 37 -11.389 7.987 2.705 299 HB THR 37 HB THR 37 -10.626 9.179 0.665 300 HG1 THR 37 HG1 THR 37 -12.217 7.536 0.508 301 HG21 THR 37 1HG2 THR 37 -9.022 8.123 -0.887 302 HG22 THR 37 2HG2 THR 37 -8.680 6.871 0.309 303 HG23 THR 37 3HG2 THR 37 -8.242 8.551 0.641 304 H GLU 38 H GLU 38 -11.693 5.773 1.902 305 HA GLU 38 HA GLU 38 -10.343 3.925 3.615 306 HB2 GLU 38 2HB GLU 38 -11.986 2.259 2.590 307 HB3 GLU 38 3HB GLU 38 -12.687 3.648 3.413 308 HG2 GLU 38 2HG GLU 38 -12.888 4.724 1.081 309 HG3 GLU 38 3HG GLU 38 -12.540 3.120 0.439 310 H ILE 39 H ILE 39 -8.306 3.449 3.052 311 HA ILE 39 HA ILE 39 -7.529 2.938 0.275 312 HB ILE 39 HB ILE 39 -5.754 2.957 2.768 313 HG12 ILE 39 2HG1 ILE 39 -6.193 5.261 0.813 314 HG13 ILE 39 3HG1 ILE 39 -6.898 5.175 2.422 315 HG21 ILE 39 1HG2 ILE 39 -3.899 3.276 1.162 316 HG22 ILE 39 2HG2 ILE 39 -5.039 3.177 -0.180 317 HG23 ILE 39 3HG2 ILE 39 -4.768 1.770 0.852 318 HD11 ILE 39 1HD1 ILE 39 -4.650 5.213 3.405 319 HD12 ILE 39 2HD1 ILE 39 -4.972 6.625 2.404 320 HD13 ILE 39 3HD1 ILE 39 -3.948 5.330 1.786 321 H VAL 40 H VAL 40 -7.728 0.921 -0.425 322 HA VAL 40 HA VAL 40 -7.398 -1.402 1.379 323 HB VAL 40 HB VAL 40 -8.732 -1.318 -1.378 324 HG11 VAL 40 1HG1 VAL 40 -7.853 -3.536 -0.804 325 HG12 VAL 40 2HG1 VAL 40 -9.617 -3.546 -0.800 326 HG13 VAL 40 3HG1 VAL 40 -8.735 -3.510 0.728 327 HG21 VAL 40 1HG2 VAL 40 -10.091 -1.305 1.342 328 HG22 VAL 40 2HG2 VAL 40 -10.906 -1.422 -0.220 329 HG23 VAL 40 3HG2 VAL 40 -10.026 0.047 0.208 330 H VAL 41 H VAL 41 -5.242 -1.890 1.265 331 HA VAL 41 HA VAL 41 -3.762 -1.680 -1.264 332 HB VAL 41 HB VAL 41 -2.757 -2.313 1.558 333 HG11 VAL 41 1HG1 VAL 41 -1.172 -1.662 -0.956 334 HG12 VAL 41 2HG1 VAL 41 -1.236 -3.226 -0.139 335 HG13 VAL 41 3HG1 VAL 41 -0.497 -1.839 0.665 336 HG21 VAL 41 1HG2 VAL 41 -3.681 -0.047 1.422 337 HG22 VAL 41 2HG2 VAL 41 -2.674 0.302 0.013 338 HG23 VAL 41 3HG2 VAL 41 -1.924 0.010 1.586 339 H GLU 42 H GLU 42 -3.312 -3.444 -2.433 340 HA GLU 42 HA GLU 42 -3.859 -6.123 -1.371 341 HB2 GLU 42 2HB GLU 42 -5.746 -5.330 -2.747 342 HB3 GLU 42 3HB GLU 42 -4.651 -5.038 -4.094 343 HG2 GLU 42 2HG GLU 42 -4.167 -7.450 -4.245 344 HG3 GLU 42 3HG GLU 42 -5.213 -7.759 -2.856 345 H VAL 43 H VAL 43 -1.936 -7.059 -1.269 346 HA VAL 43 HA VAL 43 0.249 -6.403 -3.096 347 HB VAL 43 HB VAL 43 0.203 -8.285 -0.680 348 HG11 VAL 43 1HG1 VAL 43 2.565 -7.050 -2.136 349 HG12 VAL 43 2HG1 VAL 43 2.075 -8.746 -2.195 350 HG13 VAL 43 3HG1 VAL 43 2.654 -8.050 -0.681 351 HG21 VAL 43 1HG2 VAL 43 1.213 -6.440 0.618 352 HG22 VAL 43 2HG2 VAL 43 -0.386 -5.998 0.016 353 HG23 VAL 43 3HG2 VAL 43 1.058 -5.367 -0.778 354 H HIS 44 H HIS 44 0.667 -7.642 -4.855 355 HA HIS 44 HA HIS 44 -0.387 -10.414 -5.082 356 HB2 HIS 44 2HB HIS 44 0.217 -8.401 -7.299 357 HB3 HIS 44 3HB HIS 44 -0.310 -10.057 -7.566 358 HD1 HIS 44 HD1 HIS 44 -2.740 -10.350 -7.867 359 HD2 HIS 44 HD2 HIS 44 -1.862 -6.782 -5.944 360 HE1 HIS 44 HE1 HIS 44 -4.921 -9.136 -7.676 361 HE2 HIS 44 HE2 HIS 44 -4.320 -6.905 -6.696 362 H ILE 45 H ILE 45 1.433 -11.559 -4.348 363 HA ILE 45 HA ILE 45 3.845 -11.312 -6.059 364 HB ILE 45 HB ILE 45 3.970 -12.010 -3.088 365 HG12 ILE 45 2HG1 ILE 45 4.677 -9.392 -4.506 366 HG13 ILE 45 3HG1 ILE 45 3.405 -9.628 -3.315 367 HG21 ILE 45 1HG2 ILE 45 5.736 -13.042 -4.515 368 HG22 ILE 45 2HG2 ILE 45 6.405 -11.883 -3.375 369 HG23 ILE 45 3HG2 ILE 45 6.213 -11.440 -5.073 370 HD11 ILE 45 1HD1 ILE 45 6.373 -9.790 -2.813 371 HD12 ILE 45 2HD1 ILE 45 5.116 -10.110 -1.617 372 HD13 ILE 45 3HD1 ILE 45 5.273 -8.503 -2.320 373 H ASN 46 H ASN 46 4.297 -13.084 -7.115 374 HA ASN 46 HA ASN 46 4.270 -15.162 -7.992 375 HB2 ASN 46 2HB ASN 46 3.977 -16.035 -5.080 376 HB3 ASN 46 3HB ASN 46 4.283 -17.141 -6.417 377 HD21 ASN 46 1HD2 ASN 46 5.671 -14.805 -4.306 378 HD22 ASN 46 2HD2 ASN 46 7.305 -14.989 -4.829 379 H GLY 47 H GLY 47 1.660 -13.673 -7.483 380 HA2 GLY 47 2HA GLY 47 -0.440 -14.143 -8.450 381 HA3 GLY 47 3HA GLY 47 -0.143 -15.864 -8.268 382 H GLU 48 H GLU 48 0.740 -14.722 -5.369 383 HA GLU 48 HA GLU 48 -1.813 -15.301 -4.100 384 HB2 GLU 48 2HB GLU 48 0.931 -14.645 -2.934 385 HB3 GLU 48 3HB GLU 48 -0.486 -15.071 -1.979 386 HG2 GLU 48 2HG GLU 48 0.858 -16.862 -4.020 387 HG3 GLU 48 3HG GLU 48 1.069 -16.967 -2.273 388 H ARG 49 H ARG 49 -3.217 -13.790 -3.524 389 HA ARG 49 HA ARG 49 -2.560 -10.935 -3.657 390 HB2 ARG 49 2HB ARG 49 -4.974 -10.575 -3.646 391 HB3 ARG 49 3HB ARG 49 -4.593 -11.837 -4.816 392 HG2 ARG 49 2HG ARG 49 -5.252 -13.556 -3.128 393 HG3 ARG 49 3HG ARG 49 -5.717 -12.259 -2.029 394 HD2 ARG 49 2HD ARG 49 -7.373 -11.496 -3.784 395 HD3 ARG 49 3HD ARG 49 -6.989 -12.968 -4.691 396 HE ARG 49 HE ARG 49 -8.040 -12.991 -1.921 397 HH11 ARG 49 1HH1 ARG 49 -8.133 -14.296 -5.187 398 HH12 ARG 49 2HH1 ARG 49 -9.333 -15.488 -4.799 399 HH21 ARG 49 1HH2 ARG 49 -9.591 -14.544 -1.430 400 HH22 ARG 49 2HH2 ARG 49 -10.157 -15.623 -2.663 401 H ASP 50 H ASP 50 -2.991 -9.483 -1.891 402 HA ASP 50 HA ASP 50 -3.772 -10.619 0.733 403 HB2 ASP 50 2HB ASP 50 -1.264 -10.608 0.658 404 HB3 ASP 50 3HB ASP 50 -1.305 -8.894 0.272 405 H GLU 51 H GLU 51 -5.494 -9.402 1.319 406 HA GLU 51 HA GLU 51 -5.825 -6.647 0.294 407 HB2 GLU 51 2HB GLU 51 -7.634 -8.267 -0.210 408 HB3 GLU 51 3HB GLU 51 -7.863 -8.575 1.510 409 HG2 GLU 51 2HG GLU 51 -8.476 -6.135 1.786 410 HG3 GLU 51 3HG GLU 51 -8.396 -5.972 0.032 411 H ILE 52 H ILE 52 -5.571 -4.957 1.664 412 HA ILE 52 HA ILE 52 -5.771 -5.346 4.606 413 HB ILE 52 HB ILE 52 -3.766 -3.385 3.388 414 HG12 ILE 52 2HG1 ILE 52 -2.782 -6.146 4.179 415 HG13 ILE 52 3HG1 ILE 52 -3.424 -5.900 2.562 416 HG21 ILE 52 1HG2 ILE 52 -3.819 -4.881 6.040 417 HG22 ILE 52 2HG2 ILE 52 -4.283 -3.196 5.786 418 HG23 ILE 52 3HG2 ILE 52 -2.606 -3.694 5.552 419 HD11 ILE 52 1HD1 ILE 52 -1.762 -4.226 2.097 420 HD12 ILE 52 2HD1 ILE 52 -0.992 -5.709 2.657 421 HD13 ILE 52 3HD1 ILE 52 -1.141 -4.330 3.747 422 H ARG 53 H ARG 53 -7.598 -4.156 5.108 423 HA ARG 53 HA ARG 53 -8.193 -1.656 3.643 424 HB2 ARG 53 2HB ARG 53 -9.921 -3.397 5.454 425 HB3 ARG 53 3HB ARG 53 -10.454 -1.846 4.802 426 HG2 ARG 53 2HG ARG 53 -10.184 -2.725 2.506 427 HG3 ARG 53 3HG ARG 53 -9.670 -4.280 3.167 428 HD2 ARG 53 2HD ARG 53 -12.379 -2.990 3.646 429 HD3 ARG 53 3HD ARG 53 -12.052 -4.274 2.480 430 HE ARG 53 HE ARG 53 -11.626 -4.627 5.391 431 HH11 ARG 53 1HH1 ARG 53 -12.973 -5.801 2.351 432 HH12 ARG 53 2HH1 ARG 53 -13.531 -7.292 3.036 433 HH21 ARG 53 1HH2 ARG 53 -12.394 -6.575 6.280 434 HH22 ARG 53 2HH2 ARG 53 -13.203 -7.727 5.262 435 H VAL 54 H VAL 54 -7.728 0.224 4.510 436 HA VAL 54 HA VAL 54 -7.804 0.689 7.429 437 HB VAL 54 HB VAL 54 -5.805 2.232 7.171 438 HG11 VAL 54 1HG1 VAL 54 -4.089 0.471 7.277 439 HG12 VAL 54 2HG1 VAL 54 -5.233 -0.700 6.613 440 HG13 VAL 54 3HG1 VAL 54 -5.525 0.025 8.197 441 HG21 VAL 54 1HG2 VAL 54 -5.876 2.547 4.729 442 HG22 VAL 54 2HG2 VAL 54 -5.443 0.854 4.480 443 HG23 VAL 54 3HG2 VAL 54 -4.295 1.959 5.238 444 H ARG 55 H ARG 55 -8.800 2.623 7.981 445 HA ARG 55 HA ARG 55 -9.543 4.529 5.822 446 HB2 ARG 55 2HB ARG 55 -11.468 3.707 8.041 447 HB3 ARG 55 3HB ARG 55 -11.826 4.643 6.592 448 HG2 ARG 55 2HG ARG 55 -11.386 2.569 5.225 449 HG3 ARG 55 3HG ARG 55 -11.181 1.677 6.731 450 HD2 ARG 55 2HD ARG 55 -13.412 1.251 5.997 451 HD3 ARG 55 3HD ARG 55 -13.555 2.384 7.343 452 HE ARG 55 HE ARG 55 -13.783 3.116 4.478 453 HH11 ARG 55 1HH1 ARG 55 -14.741 3.666 7.822 454 HH12 ARG 55 2HH1 ARG 55 -15.852 4.932 7.407 455 HH21 ARG 55 1HH2 ARG 55 -15.213 4.782 3.954 456 HH22 ARG 55 2HH2 ARG 55 -16.117 5.563 5.213 457 H ASN 56 H ASN 56 -9.095 6.589 6.349 458 HA ASN 56 HA ASN 56 -8.597 8.513 7.430 459 HB2 ASN 56 2HB ASN 56 -10.115 7.217 9.734 460 HB3 ASN 56 3HB ASN 56 -9.494 8.855 9.810 461 HD21 ASN 56 1HD2 ASN 56 -11.113 7.234 7.076 462 HD22 ASN 56 2HD2 ASN 56 -12.440 8.330 7.017 463 H ILE 57 H ILE 57 -6.744 6.107 7.648 464 HA ILE 57 HA ILE 57 -5.492 6.072 10.181 465 HB ILE 57 HB ILE 57 -3.464 5.034 8.817 466 HG12 ILE 57 2HG1 ILE 57 -4.299 3.915 6.667 467 HG13 ILE 57 3HG1 ILE 57 -5.663 5.021 6.690 468 HG21 ILE 57 1HG2 ILE 57 -4.580 2.837 8.835 469 HG22 ILE 57 2HG2 ILE 57 -6.148 3.626 9.018 470 HG23 ILE 57 3HG2 ILE 57 -4.935 3.762 10.296 471 HD11 ILE 57 1HD1 ILE 57 -2.757 5.794 6.445 472 HD12 ILE 57 2HD1 ILE 57 -4.128 6.906 6.411 473 HD13 ILE 57 3HD1 ILE 57 -3.926 5.710 5.129 474 H SER 58 H SER 58 -3.480 6.835 10.901 475 HA SER 58 HA SER 58 -2.965 9.580 10.229 476 HB2 SER 58 2HB SER 58 -1.406 7.767 12.113 477 HB3 SER 58 3HB SER 58 -1.449 9.530 12.126 478 HG SER 58 HG SER 58 -3.569 9.470 12.785 479 H LYS 59 H LYS 59 -0.512 10.283 10.077 480 HA LYS 59 HA LYS 59 0.367 9.286 7.522 481 HB2 LYS 59 2HB LYS 59 2.079 11.098 7.627 482 HB3 LYS 59 3HB LYS 59 0.441 11.665 7.906 483 HG2 LYS 59 2HG LYS 59 1.575 12.862 9.523 484 HG3 LYS 59 3HG LYS 59 1.091 11.446 10.458 485 HD2 LYS 59 2HD LYS 59 3.345 10.459 10.120 486 HD3 LYS 59 3HD LYS 59 3.821 11.872 9.172 487 HE2 LYS 59 2HE LYS 59 3.482 13.301 11.170 488 HE3 LYS 59 3HE LYS 59 3.038 11.872 12.107 489 HZ1 LYS 59 1HZ LYS 59 5.679 12.382 10.844 490 HZ2 LYS 59 2HZ LYS 59 5.265 10.980 11.679 491 HZ3 LYS 59 3HZ LYS 59 5.331 12.459 12.492 492 H GLU 60 H GLU 60 1.286 8.662 10.790 493 HA GLU 60 HA GLU 60 3.691 7.151 10.060 494 HB2 GLU 60 2HB GLU 60 3.638 6.495 12.540 495 HB3 GLU 60 3HB GLU 60 3.937 8.181 12.170 496 HG2 GLU 60 2HG GLU 60 1.119 7.330 12.766 497 HG3 GLU 60 3HG GLU 60 2.252 7.451 14.103 498 H GLU 61 H GLU 61 0.288 6.592 10.643 499 HA GLU 61 HA GLU 61 0.501 3.737 10.988 500 HB2 GLU 61 2HB GLU 61 -1.961 5.415 10.378 501 HB3 GLU 61 3HB GLU 61 -1.967 3.725 10.883 502 HG2 GLU 61 2HG GLU 61 -1.006 6.083 12.526 503 HG3 GLU 61 3HG GLU 61 -2.507 5.194 12.755 504 H LEU 62 H LEU 62 0.165 5.858 8.209 505 HA LEU 62 HA LEU 62 -0.623 3.816 6.395 506 HB2 LEU 62 2HB LEU 62 -0.052 5.353 4.591 507 HB3 LEU 62 3HB LEU 62 -1.032 6.114 5.824 508 HG LEU 62 HG LEU 62 1.221 7.119 6.703 509 HD11 LEU 62 1HD1 LEU 62 2.950 7.493 4.999 510 HD12 LEU 62 2HD1 LEU 62 2.087 6.431 3.880 511 HD13 LEU 62 3HD1 LEU 62 2.769 5.776 5.369 512 HD21 LEU 62 1HD2 LEU 62 0.061 8.096 4.076 513 HD22 LEU 62 2HD2 LEU 62 1.005 9.052 5.223 514 HD23 LEU 62 3HD2 LEU 62 -0.582 8.442 5.683 515 H LYS 63 H LYS 63 2.407 4.704 7.828 516 HA LYS 63 HA LYS 63 4.227 3.345 6.130 517 HB2 LYS 63 2HB LYS 63 4.386 3.830 9.128 518 HB3 LYS 63 3HB LYS 63 5.718 3.229 8.146 519 HG2 LYS 63 2HG LYS 63 5.799 5.332 6.904 520 HG3 LYS 63 3HG LYS 63 4.401 5.939 7.805 521 HD2 LYS 63 2HD LYS 63 6.500 6.848 8.743 522 HD3 LYS 63 3HD LYS 63 5.685 5.810 9.916 523 HE2 LYS 63 2HE LYS 63 7.242 3.961 9.346 524 HE3 LYS 63 3HE LYS 63 8.056 5.011 8.184 525 HZ1 LYS 63 1HZ LYS 63 7.859 5.580 11.095 526 HZ2 LYS 63 2HZ LYS 63 8.751 6.442 9.944 527 HZ3 LYS 63 3HZ LYS 63 9.193 4.866 10.342 528 H LYS 64 H LYS 64 1.892 2.161 8.389 529 HA LYS 64 HA LYS 64 3.061 -0.411 8.841 530 HB2 LYS 64 2HB LYS 64 0.170 0.459 9.275 531 HB3 LYS 64 3HB LYS 64 0.992 -0.904 10.029 532 HG2 LYS 64 2HG LYS 64 1.613 2.034 10.481 533 HG3 LYS 64 3HG LYS 64 0.759 0.975 11.602 534 HD2 LYS 64 2HD LYS 64 3.657 0.622 10.728 535 HD3 LYS 64 3HD LYS 64 3.135 1.374 12.239 536 HE2 LYS 64 2HE LYS 64 2.676 -1.512 11.416 537 HE3 LYS 64 3HE LYS 64 3.794 -0.934 12.649 538 HZ1 LYS 64 1HZ LYS 64 1.916 -0.143 13.933 539 HZ2 LYS 64 2HZ LYS 64 1.766 -1.795 13.622 540 HZ3 LYS 64 3HZ LYS 64 0.836 -0.683 12.753 541 H LEU 65 H LEU 65 1.079 1.040 6.368 542 HA LEU 65 HA LEU 65 0.333 -1.434 5.067 543 HB2 LEU 65 2HB LEU 65 0.385 1.453 4.096 544 HB3 LEU 65 3HB LEU 65 -0.085 0.123 3.062 545 HG LEU 65 HG LEU 65 -2.087 1.202 3.836 546 HD11 LEU 65 1HD1 LEU 65 -2.214 -1.230 3.654 547 HD12 LEU 65 2HD1 LEU 65 -3.291 -0.619 4.905 548 HD13 LEU 65 3HD1 LEU 65 -1.772 -1.397 5.357 549 HD21 LEU 65 1HD2 LEU 65 -2.684 1.485 6.189 550 HD22 LEU 65 2HD2 LEU 65 -1.194 2.331 5.805 551 HD23 LEU 65 3HD2 LEU 65 -1.131 0.806 6.686 552 H LEU 66 H LEU 66 2.878 1.042 4.669 553 HA LEU 66 HA LEU 66 4.449 -0.080 2.649 554 HB2 LEU 66 2HB LEU 66 5.178 1.542 5.105 555 HB3 LEU 66 3HB LEU 66 6.444 0.919 4.068 556 HG LEU 66 HG LEU 66 5.506 2.229 2.163 557 HD11 LEU 66 1HD1 LEU 66 3.180 2.425 2.882 558 HD12 LEU 66 2HD1 LEU 66 3.888 3.998 2.529 559 HD13 LEU 66 3HD1 LEU 66 3.668 3.486 4.206 560 HD21 LEU 66 1HD2 LEU 66 6.197 3.915 4.587 561 HD22 LEU 66 2HD2 LEU 66 6.376 4.370 2.890 562 HD23 LEU 66 3HD2 LEU 66 7.360 3.076 3.555 563 H GLU 67 H GLU 67 4.327 -0.747 6.104 564 HA GLU 67 HA GLU 67 6.411 -2.620 6.312 565 HB2 GLU 67 2HB GLU 67 5.640 -1.508 8.293 566 HB3 GLU 67 3HB GLU 67 3.968 -1.987 8.011 567 HG2 GLU 67 2HG GLU 67 4.539 -4.307 8.443 568 HG3 GLU 67 3HG GLU 67 6.224 -3.871 8.697 569 H ARG 68 H ARG 68 2.867 -2.990 5.979 570 HA ARG 68 HA ARG 68 2.698 -5.778 5.986 571 HB2 ARG 68 2HB ARG 68 0.957 -3.592 4.830 572 HB3 ARG 68 3HB ARG 68 0.545 -5.274 4.524 573 HG2 ARG 68 2HG ARG 68 0.884 -4.118 7.309 574 HG3 ARG 68 3HG ARG 68 -0.660 -4.215 6.456 575 HD2 ARG 68 2HD ARG 68 1.105 -6.582 7.182 576 HD3 ARG 68 3HD ARG 68 -0.373 -6.095 8.015 577 HE ARG 68 HE ARG 68 -0.384 -6.894 5.157 578 HH11 ARG 68 1HH1 ARG 68 -1.729 -7.239 8.398 579 HH12 ARG 68 2HH1 ARG 68 -3.004 -8.300 7.875 580 HH21 ARG 68 1HH2 ARG 68 -2.064 -8.289 4.510 581 HH22 ARG 68 2HH2 ARG 68 -3.187 -8.882 5.695 582 H ILE 69 H ILE 69 3.667 -3.648 3.386 583 HA ILE 69 HA ILE 69 3.615 -5.706 1.328 584 HB ILE 69 HB ILE 69 4.833 -2.897 1.282 585 HG12 ILE 69 2HG1 ILE 69 2.189 -3.810 0.055 586 HG13 ILE 69 3HG1 ILE 69 2.313 -3.024 1.623 587 HG21 ILE 69 1HG2 ILE 69 5.894 -4.324 -0.412 588 HG22 ILE 69 2HG2 ILE 69 4.854 -3.132 -1.197 589 HG23 ILE 69 3HG2 ILE 69 4.315 -4.805 -1.032 590 HD11 ILE 69 1HD1 ILE 69 3.225 -1.033 0.572 591 HD12 ILE 69 2HD1 ILE 69 1.651 -1.464 -0.096 592 HD13 ILE 69 3HD1 ILE 69 3.119 -1.806 -1.013 593 H ARG 70 H ARG 70 6.065 -4.017 3.330 594 HA ARG 70 HA ARG 70 8.342 -5.010 1.994 595 HB2 ARG 70 2HB ARG 70 9.684 -4.017 3.638 596 HB3 ARG 70 3HB ARG 70 8.223 -3.044 3.717 597 HG2 ARG 70 2HG ARG 70 7.490 -4.304 5.708 598 HG3 ARG 70 3HG ARG 70 8.942 -5.294 5.616 599 HD2 ARG 70 2HD ARG 70 10.324 -3.295 6.040 600 HD3 ARG 70 3HD ARG 70 8.855 -2.307 6.145 601 HE ARG 70 HE ARG 70 9.244 -4.626 7.935 602 HH11 ARG 70 1HH1 ARG 70 8.740 -1.165 7.576 603 HH12 ARG 70 2HH1 ARG 70 8.466 -0.917 9.268 604 HH21 ARG 70 1HH2 ARG 70 8.874 -4.275 10.155 605 HH22 ARG 70 2HH2 ARG 70 8.542 -2.670 10.715 606 H GLU 71 H GLU 71 6.458 -6.255 4.720 607 HA GLU 71 HA GLU 71 8.127 -8.291 5.643 608 HB2 GLU 71 2HB GLU 71 5.077 -8.355 5.504 609 HB3 GLU 71 3HB GLU 71 6.072 -9.387 6.525 610 HG2 GLU 71 2HG GLU 71 5.783 -6.386 6.762 611 HG3 GLU 71 3HG GLU 71 5.010 -7.576 7.794 612 H LYS 72 H LYS 72 5.950 -8.107 2.887 613 HA LYS 72 HA LYS 72 5.946 -10.925 2.298 614 HB2 LYS 72 2HB LYS 72 5.074 -8.682 0.418 615 HB3 LYS 72 3HB LYS 72 4.591 -10.375 0.369 616 HG2 LYS 72 2HG LYS 72 3.762 -8.248 2.341 617 HG3 LYS 72 3HG LYS 72 2.734 -9.196 1.266 618 HD2 LYS 72 2HD LYS 72 3.130 -11.217 2.606 619 HD3 LYS 72 3HD LYS 72 4.299 -10.353 3.612 620 HE2 LYS 72 2HE LYS 72 2.190 -10.548 4.797 621 HE3 LYS 72 3HE LYS 72 2.486 -8.855 4.400 622 HZ1 LYS 72 1HZ LYS 72 0.789 -10.645 2.766 623 HZ2 LYS 72 2HZ LYS 72 0.923 -8.967 2.648 624 HZ3 LYS 72 3HZ LYS 72 0.185 -9.663 3.997 625 H ILE 73 H ILE 73 7.465 -8.021 0.784 626 HA ILE 73 HA ILE 73 8.820 -9.539 -1.216 627 HB ILE 73 HB ILE 73 10.101 -7.506 -1.770 628 HG12 ILE 73 2HG1 ILE 73 9.305 -5.321 -0.429 629 HG13 ILE 73 3HG1 ILE 73 9.066 -6.465 0.881 630 HG21 ILE 73 1HG2 ILE 73 7.829 -7.760 -2.649 631 HG22 ILE 73 2HG2 ILE 73 8.200 -6.056 -2.377 632 HG23 ILE 73 3HG2 ILE 73 7.167 -6.927 -1.239 633 HD11 ILE 73 1HD1 ILE 73 11.441 -7.050 0.795 634 HD12 ILE 73 2HD1 ILE 73 11.199 -5.321 1.026 635 HD13 ILE 73 3HD1 ILE 73 11.663 -5.936 -0.557 636 H GLU 74 H GLU 74 9.583 -8.889 2.109 637 HA GLU 74 HA GLU 74 12.359 -9.655 2.008 638 HB2 GLU 74 2HB GLU 74 10.387 -9.385 4.311 639 HB3 GLU 74 3HB GLU 74 12.063 -9.865 4.549 640 HG2 GLU 74 2HG GLU 74 11.197 -7.242 3.300 641 HG3 GLU 74 3HG GLU 74 11.605 -7.449 4.998 642 H ARG 75 H ARG 75 9.315 -11.326 2.915 643 HA ARG 75 HA ARG 75 10.479 -13.821 3.656 644 HB2 ARG 75 2HB ARG 75 7.649 -13.050 2.838 645 HB3 ARG 75 3HB ARG 75 8.073 -14.685 3.335 646 HG2 ARG 75 2HG ARG 75 8.663 -13.921 5.569 647 HG3 ARG 75 3HG ARG 75 8.443 -12.235 5.088 648 HD2 ARG 75 2HD ARG 75 6.513 -13.078 6.386 649 HD3 ARG 75 3HD ARG 75 6.046 -12.603 4.750 650 HE ARG 75 HE ARG 75 6.375 -15.392 5.709 651 HH11 ARG 75 1HH1 ARG 75 4.948 -13.137 3.409 652 HH12 ARG 75 2HH1 ARG 75 3.940 -14.336 2.666 653 HH21 ARG 75 1HH2 ARG 75 5.046 -16.948 4.731 654 HH22 ARG 75 2HH2 ARG 75 3.998 -16.502 3.422 655 H GLU 76 H GLU 76 8.988 -12.662 0.673 656 HA GLU 76 HA GLU 76 9.214 -15.133 -0.783 657 HB2 GLU 76 2HB GLU 76 8.599 -12.328 -1.832 658 HB3 GLU 76 3HB GLU 76 8.262 -13.847 -2.652 659 HG2 GLU 76 2HG GLU 76 6.981 -13.060 -0.024 660 HG3 GLU 76 3HG GLU 76 6.284 -12.659 -1.588 661 H GLY 77 H GLY 77 10.644 -11.864 -1.053 662 HA2 GLY 77 2HA GLY 77 12.572 -11.054 -1.972 663 HA3 GLY 77 3HA GLY 77 13.266 -12.653 -1.741 664 H SER 78 H SER 78 10.445 -11.972 -3.697 665 HA SER 78 HA SER 78 11.795 -13.100 -6.065 666 HB2 SER 78 2HB SER 78 9.755 -14.266 -5.075 667 HB3 SER 78 3HB SER 78 8.796 -12.859 -5.529 668 HG SER 78 HG SER 78 9.829 -14.900 -7.090 669 H SER 79 H SER 79 11.118 -12.223 -8.181 670 HA SER 79 HA SER 79 10.968 -9.301 -8.195 671 HB2 SER 79 2HB SER 79 11.373 -11.251 -10.502 672 HB3 SER 79 3HB SER 79 11.571 -9.496 -10.565 673 HG SER 79 HG SER 79 13.012 -10.946 -8.646 674 H GLU 80 H GLU 80 8.848 -11.961 -8.513 675 HA GLU 80 HA GLU 80 6.841 -10.678 -10.163 676 HB2 GLU 80 2HB GLU 80 7.076 -13.173 -10.109 677 HB3 GLU 80 3HB GLU 80 6.647 -13.175 -8.410 678 HG2 GLU 80 2HG GLU 80 4.764 -13.880 -9.859 679 HG3 GLU 80 3HG GLU 80 4.387 -12.448 -8.905 680 H VAL 81 H VAL 81 6.891 -8.684 -8.818 681 HA VAL 81 HA VAL 81 5.053 -8.828 -6.485 682 HB VAL 81 HB VAL 81 7.416 -6.902 -6.790 683 HG11 VAL 81 1HG1 VAL 81 6.837 -6.133 -4.504 684 HG12 VAL 81 2HG1 VAL 81 5.411 -7.173 -4.515 685 HG13 VAL 81 3HG1 VAL 81 5.527 -5.822 -5.646 686 HG21 VAL 81 1HG2 VAL 81 8.401 -8.070 -4.847 687 HG22 VAL 81 2HG2 VAL 81 8.179 -9.169 -6.211 688 HG23 VAL 81 3HG2 VAL 81 7.055 -9.214 -4.850 689 H GLU 82 H GLU 82 3.301 -7.600 -6.671 690 HA GLU 82 HA GLU 82 3.195 -5.226 -8.399 691 HB2 GLU 82 2HB GLU 82 2.383 -7.114 -9.782 692 HB3 GLU 82 3HB GLU 82 1.234 -7.562 -8.525 693 HG2 GLU 82 2HG GLU 82 0.169 -5.259 -8.848 694 HG3 GLU 82 3HG GLU 82 1.189 -5.077 -10.275 695 H VAL 83 H VAL 83 2.574 -3.650 -6.977 696 HA VAL 83 HA VAL 83 0.792 -4.297 -4.709 697 HB VAL 83 HB VAL 83 2.387 -1.736 -5.220 698 HG11 VAL 83 1HG1 VAL 83 1.911 -1.241 -2.832 699 HG12 VAL 83 2HG1 VAL 83 0.898 -2.684 -2.739 700 HG13 VAL 83 3HG1 VAL 83 0.432 -1.345 -3.792 701 HG21 VAL 83 1HG2 VAL 83 3.967 -2.547 -3.505 702 HG22 VAL 83 2HG2 VAL 83 3.901 -3.657 -4.877 703 HG23 VAL 83 3HG2 VAL 83 3.065 -4.062 -3.375 704 H ASN 84 H ASN 84 -1.317 -3.943 -5.025 705 HA ASN 84 HA ASN 84 -2.305 -1.861 -6.880 706 HB2 ASN 84 2HB ASN 84 -3.683 -4.267 -5.596 707 HB3 ASN 84 3HB ASN 84 -4.529 -3.058 -6.546 708 HD21 ASN 84 1HD2 ASN 84 -1.325 -4.395 -7.356 709 HD22 ASN 84 2HD2 ASN 84 -1.877 -5.214 -8.768 710 H VAL 85 H VAL 85 -2.434 0.035 -5.713 711 HA VAL 85 HA VAL 85 -3.650 0.023 -3.039 712 HB VAL 85 HB VAL 85 -2.534 2.355 -4.660 713 HG11 VAL 85 1HG1 VAL 85 -2.720 3.664 -2.554 714 HG12 VAL 85 2HG1 VAL 85 -3.525 2.298 -1.774 715 HG13 VAL 85 3HG1 VAL 85 -4.304 3.127 -3.124 716 HG21 VAL 85 1HG2 VAL 85 -0.660 2.286 -3.058 717 HG22 VAL 85 2HG2 VAL 85 -0.793 0.773 -3.960 718 HG23 VAL 85 3HG2 VAL 85 -1.363 0.861 -2.289 719 H HIS 86 H HIS 86 -5.768 0.020 -2.984 720 HA HIS 86 HA HIS 86 -7.374 1.456 -4.999 721 HB2 HIS 86 2HB HIS 86 -8.298 -0.558 -2.906 722 HB3 HIS 86 3HB HIS 86 -9.267 0.114 -4.210 723 HD1 HIS 86 HD1 HIS 86 -9.078 -1.000 -6.512 724 HD2 HIS 86 HD2 HIS 86 -6.414 -2.572 -3.722 725 HE1 HIS 86 HE1 HIS 86 -8.171 -3.105 -7.541 726 HE2 HIS 86 HE2 HIS 86 -6.777 -4.156 -5.737 727 H SER 87 H SER 87 -8.979 2.965 -4.196 728 HA SER 87 HA SER 87 -9.244 3.470 -1.361 729 HB2 SER 87 2HB SER 87 -8.562 5.890 -1.505 730 HB3 SER 87 3HB SER 87 -7.219 4.774 -1.743 731 HG SER 87 HG SER 87 -7.574 5.081 -4.031 732 H GLY 88 H GLY 88 -11.415 3.428 -1.290 733 HA2 GLY 88 2HA GLY 88 -13.607 4.033 -1.642 734 HA3 GLY 88 3HA GLY 88 -13.042 5.373 -2.635 735 H GLY 89 H GLY 89 -12.528 4.949 -4.869 736 HA2 GLY 89 2HA GLY 89 -13.315 2.349 -6.043 737 HA3 GLY 89 3HA GLY 89 -14.027 3.834 -6.672 738 H GLN 90 H GLN 90 -10.901 4.414 -5.612 739 HA GLN 90 HA GLN 90 -9.880 4.726 -8.333 740 HB2 GLN 90 2HB GLN 90 -8.595 5.499 -5.666 741 HB3 GLN 90 3HB GLN 90 -8.156 6.098 -7.264 742 HG2 GLN 90 2HG GLN 90 -10.219 7.352 -7.432 743 HG3 GLN 90 3HG GLN 90 -10.841 6.619 -5.954 744 HE21 GLN 90 1HE2 GLN 90 -9.921 7.252 -3.934 745 HE22 GLN 90 2HE2 GLN 90 -9.065 8.743 -3.770 746 H THR 91 H THR 91 -7.911 3.669 -9.065 747 HA THR 91 HA THR 91 -6.594 1.757 -7.241 748 HB THR 91 HB THR 91 -7.631 0.921 -9.997 749 HG1 THR 91 HG1 THR 91 -9.193 1.000 -8.207 750 HG21 THR 91 1HG2 THR 91 -5.450 -0.154 -9.465 751 HG22 THR 91 2HG2 THR 91 -6.767 -1.326 -9.427 752 HG23 THR 91 3HG2 THR 91 -6.106 -0.704 -7.916 753 H TRP 92 H TRP 92 -4.478 2.072 -7.344 754 HA TRP 92 HA TRP 92 -3.097 2.719 -9.887 755 HB2 TRP 92 2HB TRP 92 -2.133 3.190 -7.015 756 HB3 TRP 92 3HB TRP 92 -1.265 3.635 -8.485 757 HD1 TRP 92 HD1 TRP 92 -2.097 5.852 -9.781 758 HE1 TRP 92 HE1 TRP 92 -3.614 7.799 -9.070 759 HE3 TRP 92 HE3 TRP 92 -4.208 3.778 -5.602 760 HZ2 TRP 92 HZ2 TRP 92 -5.443 8.396 -7.008 761 HZ3 TRP 92 HZ3 TRP 92 -5.811 5.110 -4.314 762 HH2 TRP 92 HH2 TRP 92 -6.414 7.371 -5.001 763 H THR 93 H THR 93 -1.515 1.241 -10.536 764 HA THR 93 HA THR 93 -0.988 -1.093 -8.770 765 HB THR 93 HB THR 93 -1.032 -2.555 -10.818 766 HG1 THR 93 HG1 THR 93 -1.021 -0.326 -12.138 767 HG21 THR 93 1HG2 THR 93 -3.038 -2.445 -9.364 768 HG22 THR 93 2HG2 THR 93 -3.480 -2.699 -11.052 769 HG23 THR 93 3HG2 THR 93 -3.662 -1.101 -10.324 770 H PHE 94 H PHE 94 1.082 -0.849 -8.227 771 HA PHE 94 HA PHE 94 3.166 -0.039 -10.123 772 HB2 PHE 94 2HB PHE 94 3.418 -0.820 -7.169 773 HB3 PHE 94 3HB PHE 94 4.652 -0.040 -8.154 774 HD1 PHE 94 HD1 PHE 94 4.465 2.362 -8.735 775 HD2 PHE 94 HD2 PHE 94 1.538 0.461 -6.254 776 HE1 PHE 94 HE1 PHE 94 3.620 4.562 -8.033 777 HE2 PHE 94 HE2 PHE 94 0.703 2.668 -5.558 778 HZ PHE 94 HZ PHE 94 1.741 4.718 -6.446 779 H ASN 95 H ASN 95 4.620 -1.511 -10.984 780 HA ASN 95 HA ASN 95 4.782 -4.245 -9.919 781 HB2 ASN 95 2HB ASN 95 4.470 -5.272 -12.148 782 HB3 ASN 95 3HB ASN 95 3.032 -4.372 -11.673 783 HD21 ASN 95 1HD2 ASN 95 2.693 -2.274 -12.665 784 HD22 ASN 95 2HD2 ASN 95 3.332 -1.947 -14.239 785 H GLU 96 H GLU 96 6.829 -5.010 -9.953 786 HA GLU 96 HA GLU 96 9.014 -3.433 -10.975 787 HB2 GLU 96 2HB GLU 96 8.800 -6.127 -9.602 788 HB3 GLU 96 3HB GLU 96 10.320 -5.661 -10.356 789 HG2 GLU 96 2HG GLU 96 10.285 -5.184 -7.938 790 HG3 GLU 96 3HG GLU 96 10.532 -3.738 -8.911 791 H LYS 97 H LYS 97 9.870 -3.473 -12.937 792 HA LYS 97 HA LYS 97 8.928 -5.147 -15.044 793 HB2 LYS 97 2HB LYS 97 11.289 -3.224 -14.911 794 HB3 LYS 97 3HB LYS 97 10.769 -4.025 -16.389 795 HG2 LYS 97 2HG LYS 97 9.117 -2.079 -14.749 796 HG3 LYS 97 3HG LYS 97 9.949 -1.710 -16.259 797 HD2 LYS 97 2HD LYS 97 7.656 -3.691 -15.932 798 HD3 LYS 97 3HD LYS 97 7.537 -2.068 -16.616 799 HE2 LYS 97 2HE LYS 97 9.042 -2.724 -18.460 800 HE3 LYS 97 3HE LYS 97 9.173 -4.348 -17.780 801 HZ1 LYS 97 1HZ LYS 97 7.553 -4.203 -19.598 802 HZ2 LYS 97 2HZ LYS 97 6.639 -3.099 -18.703 803 HZ3 LYS 97 3HZ LYS 97 6.830 -4.681 -18.143 Start of MODEL 19 1 H1 MET 1 1H MET 1 27.033 31.045 -27.554 2 H2 MET 1 2H MET 1 27.779 31.598 -28.956 3 H3 MET 1 3H MET 1 28.081 30.030 -28.400 4 HA MET 1 HA MET 1 25.482 31.069 -29.370 5 HB2 MET 1 2HB MET 1 27.350 29.012 -30.643 6 HB3 MET 1 3HB MET 1 25.797 29.530 -31.290 7 HG2 MET 1 2HG MET 1 26.697 31.803 -31.611 8 HG3 MET 1 3HG MET 1 28.253 31.272 -30.977 9 HE1 MET 1 1HE MET 1 29.281 28.626 -33.768 10 HE2 MET 1 2HE MET 1 28.294 28.244 -32.358 11 HE3 MET 1 3HE MET 1 29.704 29.292 -32.191 12 H GLY 2 H GLY 2 24.111 30.259 -27.839 13 HA2 GLY 2 2HA GLY 2 22.669 28.647 -27.037 14 HA3 GLY 2 3HA GLY 2 23.649 27.401 -27.791 15 H HIS 3 H HIS 3 22.875 26.492 -25.610 16 HA HIS 3 HA HIS 3 25.034 26.399 -23.745 17 HB2 HIS 3 2HB HIS 3 23.497 27.147 -21.750 18 HB3 HIS 3 3HB HIS 3 24.267 28.389 -22.729 19 HD1 HIS 3 HD1 HIS 3 22.778 29.971 -24.031 20 HD2 HIS 3 HD2 HIS 3 20.638 26.964 -22.128 21 HE1 HIS 3 HE1 HIS 3 20.368 30.623 -24.230 22 HE2 HIS 3 HE2 HIS 3 19.115 28.874 -22.945 23 H HIS 4 H HIS 4 25.105 24.256 -23.639 24 HA HIS 4 HA HIS 4 22.673 22.682 -22.979 25 HB2 HIS 4 2HB HIS 4 25.133 21.812 -24.588 26 HB3 HIS 4 3HB HIS 4 23.840 20.732 -24.083 27 HD1 HIS 4 HD1 HIS 4 24.807 23.060 -26.755 28 HD2 HIS 4 HD2 HIS 4 21.312 21.247 -25.426 29 HE1 HIS 4 HE1 HIS 4 23.185 23.229 -28.661 30 HE2 HIS 4 HE2 HIS 4 21.095 22.112 -27.841 31 H HIS 5 H HIS 5 22.831 21.437 -21.167 32 HA HIS 5 HA HIS 5 25.291 21.573 -19.538 33 HB2 HIS 5 2HB HIS 5 22.398 20.922 -18.840 34 HB3 HIS 5 3HB HIS 5 23.722 20.741 -17.698 35 HD1 HIS 5 HD1 HIS 5 24.402 22.763 -16.405 36 HD2 HIS 5 HD2 HIS 5 21.930 23.701 -19.604 37 HE1 HIS 5 HE1 HIS 5 23.811 25.181 -16.116 38 HE2 HIS 5 HE2 HIS 5 22.461 25.763 -18.151 39 H HIS 6 H HIS 6 22.950 19.278 -20.898 40 HA HIS 6 HA HIS 6 22.737 17.048 -20.966 41 HB2 HIS 6 2HB HIS 6 25.761 17.213 -21.030 42 HB3 HIS 6 3HB HIS 6 24.932 15.663 -21.093 43 HD1 HIS 6 HD1 HIS 6 23.960 14.945 -23.292 44 HD2 HIS 6 HD2 HIS 6 25.255 18.891 -23.353 45 HE1 HIS 6 HE1 HIS 6 23.831 15.658 -25.689 46 HE2 HIS 6 HE2 HIS 6 24.839 17.953 -25.724 47 H HIS 7 H HIS 7 21.623 16.904 -19.048 48 HA HIS 7 HA HIS 7 22.933 16.453 -16.518 49 HB2 HIS 7 2HB HIS 7 20.666 16.175 -15.618 50 HB3 HIS 7 3HB HIS 7 20.735 17.604 -16.636 51 HD1 HIS 7 HD1 HIS 7 19.310 17.610 -18.792 52 HD2 HIS 7 HD2 HIS 7 18.987 14.096 -16.592 53 HE1 HIS 7 HE1 HIS 7 17.335 16.392 -19.733 54 HE2 HIS 7 HE2 HIS 7 17.256 14.214 -18.496 55 H HIS 8 H HIS 8 23.167 14.472 -15.440 56 HA HIS 8 HA HIS 8 22.527 11.955 -16.777 57 HB2 HIS 8 2HB HIS 8 24.970 11.247 -16.837 58 HB3 HIS 8 3HB HIS 8 24.546 12.490 -18.007 59 HD1 HIS 8 HD1 HIS 8 25.555 14.848 -17.660 60 HD2 HIS 8 HD2 HIS 8 26.832 12.054 -14.868 61 HE1 HIS 8 HE1 HIS 8 27.499 15.906 -16.482 62 HE2 HIS 8 HE2 HIS 8 28.270 14.191 -14.822 63 H GLU 9 H GLU 9 21.411 12.597 -14.594 64 HA GLU 9 HA GLU 9 22.820 12.036 -12.163 65 HB2 GLU 9 2HB GLU 9 19.813 12.152 -12.719 66 HB3 GLU 9 3HB GLU 9 20.522 11.963 -11.117 67 HG2 GLU 9 2HG GLU 9 19.842 14.272 -11.442 68 HG3 GLU 9 3HG GLU 9 21.601 14.181 -11.343 69 H ASN 10 H ASN 10 23.810 10.086 -12.402 70 HA ASN 10 HA ASN 10 22.167 7.724 -11.938 71 HB2 ASN 10 2HB ASN 10 22.535 7.885 -14.471 72 HB3 ASN 10 3HB ASN 10 24.259 7.686 -14.182 73 HD21 ASN 10 1HD2 ASN 10 22.435 5.980 -15.685 74 HD22 ASN 10 2HD2 ASN 10 22.527 4.412 -14.966 75 H LEU 11 H LEU 11 23.036 7.897 -9.894 76 HA LEU 11 HA LEU 11 25.874 7.064 -9.581 77 HB2 LEU 11 2HB LEU 11 24.135 8.634 -7.618 78 HB3 LEU 11 3HB LEU 11 25.792 8.133 -7.335 79 HG LEU 11 HG LEU 11 24.938 10.139 -9.464 80 HD11 LEU 11 1HD1 LEU 11 25.893 11.871 -8.011 81 HD12 LEU 11 2HD1 LEU 11 26.211 10.666 -6.761 82 HD13 LEU 11 3HD1 LEU 11 24.550 11.040 -7.225 83 HD21 LEU 11 1HD2 LEU 11 27.720 9.343 -8.533 84 HD22 LEU 11 2HD2 LEU 11 27.348 10.636 -9.677 85 HD23 LEU 11 3HD2 LEU 11 26.987 8.963 -10.095 86 H TYR 12 H TYR 12 25.774 4.905 -9.261 87 HA TYR 12 HA TYR 12 23.458 3.547 -8.260 88 HB2 TYR 12 2HB TYR 12 26.268 2.506 -8.850 89 HB3 TYR 12 3HB TYR 12 24.911 1.484 -8.403 90 HD1 TYR 12 HD1 TYR 12 22.910 1.342 -9.965 91 HD2 TYR 12 HD2 TYR 12 26.586 3.183 -11.146 92 HE1 TYR 12 HE1 TYR 12 22.285 1.074 -12.324 93 HE2 TYR 12 HE2 TYR 12 25.952 2.920 -13.503 94 HH TYR 12 HH TYR 12 22.799 2.006 -14.473 95 H PHE 13 H PHE 13 23.384 4.810 -6.186 96 HA PHE 13 HA PHE 13 25.142 4.204 -4.023 97 HB2 PHE 13 2HB PHE 13 22.207 5.041 -4.046 98 HB3 PHE 13 3HB PHE 13 23.164 4.889 -2.576 99 HD1 PHE 13 HD1 PHE 13 25.239 6.371 -2.315 100 HD2 PHE 13 HD2 PHE 13 22.268 7.083 -5.314 101 HE1 PHE 13 HE1 PHE 13 26.021 8.694 -2.549 102 HE2 PHE 13 HE2 PHE 13 23.064 9.403 -5.537 103 HZ PHE 13 HZ PHE 13 24.937 10.206 -4.160 104 H GLN 14 H GLN 14 25.015 2.542 -2.479 105 HA GLN 14 HA GLN 14 24.451 0.021 -3.558 106 HB2 GLN 14 2HB GLN 14 24.952 0.702 -0.634 107 HB3 GLN 14 3HB GLN 14 25.116 -0.889 -1.365 108 HG2 GLN 14 2HG GLN 14 26.863 1.548 -1.827 109 HG3 GLN 14 3HG GLN 14 27.326 0.014 -1.095 110 HE21 GLN 14 1HE2 GLN 14 27.535 -1.832 -2.484 111 HE22 GLN 14 2HE2 GLN 14 27.850 -1.635 -4.168 112 H SER 15 H SER 15 22.498 -0.731 -3.971 113 HA SER 15 HA SER 15 20.122 0.256 -2.642 114 HB2 SER 15 2HB SER 15 20.443 -1.649 -4.994 115 HB3 SER 15 3HB SER 15 18.922 -0.932 -4.462 116 HG SER 15 HG SER 15 19.663 1.067 -5.051 117 H HIS 16 H HIS 16 21.023 -0.910 -0.623 118 HA HIS 16 HA HIS 16 19.759 -3.579 -0.367 119 HB2 HIS 16 2HB HIS 16 21.779 -2.233 1.488 120 HB3 HIS 16 3HB HIS 16 21.094 -3.840 1.714 121 HD1 HIS 16 HD1 HIS 16 22.392 -5.734 0.736 122 HD2 HIS 16 HD2 HIS 16 23.454 -2.104 -0.992 123 HE1 HIS 16 HE1 HIS 16 24.348 -6.236 -0.749 124 HE2 HIS 16 HE2 HIS 16 25.083 -4.003 -1.635 125 H MET 17 H MET 17 19.211 -0.334 0.107 126 HA MET 17 HA MET 17 17.575 -0.524 2.515 127 HB2 MET 17 2HB MET 17 17.059 1.956 1.918 128 HB3 MET 17 3HB MET 17 18.687 1.555 2.432 129 HG2 MET 17 2HG MET 17 18.928 3.084 0.652 130 HG3 MET 17 3HG MET 17 19.337 1.511 -0.018 131 HE1 MET 17 1HE MET 17 15.495 3.882 -0.988 132 HE2 MET 17 2HE MET 17 16.852 4.535 -0.072 133 HE3 MET 17 3HE MET 17 15.822 3.290 0.640 134 H THR 18 H THR 18 15.475 -0.980 2.506 135 HA THR 18 HA THR 18 14.237 -1.851 0.033 136 HB THR 18 HB THR 18 13.079 -1.984 2.853 137 HG1 THR 18 HG1 THR 18 14.775 -3.873 1.556 138 HG21 THR 18 1HG2 THR 18 11.475 -2.566 1.082 139 HG22 THR 18 2HG2 THR 18 11.940 -4.010 1.984 140 HG23 THR 18 3HG2 THR 18 12.632 -3.709 0.390 141 H ASP 19 H ASP 19 14.143 0.982 1.949 142 HA ASP 19 HA ASP 19 11.342 1.611 1.729 143 HB2 ASP 19 2HB ASP 19 11.930 3.702 2.902 144 HB3 ASP 19 3HB ASP 19 12.627 2.300 3.702 145 H GLU 20 H GLU 20 13.480 1.626 -0.711 146 HA GLU 20 HA GLU 20 13.263 4.156 -1.953 147 HB2 GLU 20 2HB GLU 20 14.971 2.539 -2.623 148 HB3 GLU 20 3HB GLU 20 13.743 1.386 -3.139 149 HG2 GLU 20 2HG GLU 20 13.039 2.975 -4.919 150 HG3 GLU 20 3HG GLU 20 14.307 4.087 -4.417 151 H LEU 21 H LEU 21 11.614 1.137 -2.987 152 HA LEU 21 HA LEU 21 9.667 2.507 -4.555 153 HB2 LEU 21 2HB LEU 21 8.674 0.395 -5.046 154 HB3 LEU 21 3HB LEU 21 10.405 0.142 -5.017 155 HG LEU 21 HG LEU 21 8.571 -0.639 -2.699 156 HD11 LEU 21 1HD1 LEU 21 7.895 -1.910 -4.680 157 HD12 LEU 21 2HD1 LEU 21 8.690 -2.961 -3.511 158 HD13 LEU 21 3HD1 LEU 21 9.562 -2.426 -4.951 159 HD21 LEU 21 1HD2 LEU 21 10.429 -2.052 -1.953 160 HD22 LEU 21 2HD2 LEU 21 10.944 -0.370 -2.065 161 HD23 LEU 21 3HD2 LEU 21 11.414 -1.518 -3.319 162 H LEU 22 H LEU 22 9.851 1.775 -1.211 163 HA LEU 22 HA LEU 22 7.031 1.732 -0.637 164 HB2 LEU 22 2HB LEU 22 9.365 2.154 1.269 165 HB3 LEU 22 3HB LEU 22 7.718 1.735 1.714 166 HG LEU 22 HG LEU 22 9.667 -0.046 0.205 167 HD11 LEU 22 1HD1 LEU 22 8.575 -0.295 3.027 168 HD12 LEU 22 2HD1 LEU 22 10.215 0.181 2.577 169 HD13 LEU 22 3HD1 LEU 22 9.643 -1.446 2.217 170 HD21 LEU 22 1HD2 LEU 22 7.948 -1.820 0.389 171 HD22 LEU 22 2HD2 LEU 22 7.413 -0.477 -0.618 172 HD23 LEU 22 3HD2 LEU 22 6.800 -0.641 1.031 173 H GLU 23 H GLU 23 9.598 4.178 -0.617 174 HA GLU 23 HA GLU 23 8.310 6.172 0.928 175 HB2 GLU 23 2HB GLU 23 10.763 6.116 0.450 176 HB3 GLU 23 3HB GLU 23 10.436 6.567 -1.223 177 HG2 GLU 23 2HG GLU 23 9.460 8.713 -0.442 178 HG3 GLU 23 3HG GLU 23 9.802 8.263 1.227 179 H ARG 24 H ARG 24 8.345 5.533 -2.567 180 HA ARG 24 HA ARG 24 6.823 7.843 -3.301 181 HB2 ARG 24 2HB ARG 24 6.669 6.884 -5.508 182 HB3 ARG 24 3HB ARG 24 8.296 6.618 -4.901 183 HG2 ARG 24 2HG ARG 24 7.743 4.261 -4.412 184 HG3 ARG 24 3HG ARG 24 6.092 4.524 -4.981 185 HD2 ARG 24 2HD ARG 24 8.645 4.602 -6.622 186 HD3 ARG 24 3HD ARG 24 7.314 3.453 -6.757 187 HE ARG 24 HE ARG 24 7.154 6.319 -7.492 188 HH11 ARG 24 1HH1 ARG 24 6.139 2.999 -8.072 189 HH12 ARG 24 2HH1 ARG 24 5.140 3.427 -9.422 190 HH21 ARG 24 1HH2 ARG 24 5.821 6.851 -9.230 191 HH22 ARG 24 2HH2 ARG 24 4.960 5.604 -10.074 192 H LEU 25 H LEU 25 5.992 4.691 -2.037 193 HA LEU 25 HA LEU 25 3.168 4.860 -2.662 194 HB2 LEU 25 2HB LEU 25 4.929 2.940 -1.179 195 HB3 LEU 25 3HB LEU 25 3.278 3.038 -0.595 196 HG LEU 25 HG LEU 25 3.499 1.197 -2.184 197 HD11 LEU 25 1HD1 LEU 25 1.854 3.451 -3.378 198 HD12 LEU 25 2HD1 LEU 25 1.347 2.362 -2.082 199 HD13 LEU 25 3HD1 LEU 25 1.658 1.724 -3.692 200 HD21 LEU 25 1HD2 LEU 25 5.372 1.968 -3.549 201 HD22 LEU 25 2HD2 LEU 25 4.386 3.251 -4.248 202 HD23 LEU 25 3HD2 LEU 25 4.005 1.560 -4.583 203 H ARG 26 H ARG 26 5.315 5.736 -0.016 204 HA ARG 26 HA ARG 26 3.454 6.385 1.981 205 HB2 ARG 26 2HB ARG 26 5.944 6.104 2.269 206 HB3 ARG 26 3HB ARG 26 6.189 7.663 1.505 207 HG2 ARG 26 2HG ARG 26 4.376 7.654 3.888 208 HG3 ARG 26 3HG ARG 26 6.069 7.295 4.213 209 HD2 ARG 26 2HD ARG 26 5.024 9.773 2.804 210 HD3 ARG 26 3HD ARG 26 5.555 9.691 4.491 211 HE ARG 26 HE ARG 26 7.643 8.742 2.923 212 HH11 ARG 26 1HH1 ARG 26 5.979 11.811 3.354 213 HH12 ARG 26 2HH1 ARG 26 7.379 12.747 2.918 214 HH21 ARG 26 1HH2 ARG 26 9.443 9.951 2.365 215 HH22 ARG 26 2HH2 ARG 26 9.354 11.684 2.353 216 H GLN 27 H GLN 27 4.849 8.293 -0.665 217 HA GLN 27 HA GLN 27 3.675 10.795 -0.159 218 HB2 GLN 27 2HB GLN 27 4.314 9.518 -2.850 219 HB3 GLN 27 3HB GLN 27 4.073 11.238 -2.570 220 HG2 GLN 27 2HG GLN 27 6.313 9.598 -1.347 221 HG3 GLN 27 3HG GLN 27 6.468 10.574 -2.804 222 HE21 GLN 27 1HE2 GLN 27 7.873 10.780 -0.204 223 HE22 GLN 27 2HE2 GLN 27 7.591 12.396 0.339 224 H LEU 28 H LEU 28 2.456 7.973 -1.929 225 HA LEU 28 HA LEU 28 0.028 9.132 -2.887 226 HB2 LEU 28 2HB LEU 28 1.117 7.168 -3.938 227 HB3 LEU 28 3HB LEU 28 0.816 6.217 -2.495 228 HG LEU 28 HG LEU 28 -1.636 6.325 -2.920 229 HD11 LEU 28 1HD1 LEU 28 -0.934 7.840 -5.454 230 HD12 LEU 28 2HD1 LEU 28 -1.793 8.484 -4.052 231 HD13 LEU 28 3HD1 LEU 28 -2.532 7.218 -5.028 232 HD21 LEU 28 1HD2 LEU 28 -1.693 4.848 -4.892 233 HD22 LEU 28 2HD2 LEU 28 -0.367 4.430 -3.810 234 HD23 LEU 28 3HD2 LEU 28 -0.041 5.318 -5.300 235 H PHE 29 H PHE 29 0.918 7.324 0.038 236 HA PHE 29 HA PHE 29 -1.747 6.969 1.022 237 HB2 PHE 29 2HB PHE 29 0.920 6.809 2.487 238 HB3 PHE 29 3HB PHE 29 -0.627 6.344 3.184 239 HD1 PHE 29 HD1 PHE 29 -1.821 4.927 0.758 240 HD2 PHE 29 HD2 PHE 29 2.069 4.702 2.542 241 HE1 PHE 29 HE1 PHE 29 -1.536 2.651 -0.120 242 HE2 PHE 29 HE2 PHE 29 2.328 2.420 1.654 243 HZ PHE 29 HZ PHE 29 0.529 1.399 0.337 244 H GLU 30 H GLU 30 0.785 9.425 1.529 245 HA GLU 30 HA GLU 30 -0.525 11.023 3.485 246 HB2 GLU 30 2HB GLU 30 1.527 11.815 1.360 247 HB3 GLU 30 3HB GLU 30 0.974 12.883 2.646 248 HG2 GLU 30 2HG GLU 30 1.912 11.376 4.341 249 HG3 GLU 30 3HG GLU 30 2.436 10.267 3.071 250 H GLU 31 H GLU 31 -0.522 10.979 -0.033 251 HA GLU 31 HA GLU 31 -1.956 13.260 -0.682 252 HB2 GLU 31 2HB GLU 31 -0.812 11.902 -2.367 253 HB3 GLU 31 3HB GLU 31 -1.850 10.525 -2.030 254 HG2 GLU 31 2HG GLU 31 -2.442 11.612 -4.157 255 HG3 GLU 31 3HG GLU 31 -3.768 11.688 -2.995 256 H LEU 32 H LEU 32 -3.150 9.964 -0.097 257 HA LEU 32 HA LEU 32 -5.946 10.670 -0.297 258 HB2 LEU 32 2HB LEU 32 -4.601 8.122 0.688 259 HB3 LEU 32 3HB LEU 32 -6.286 8.276 0.209 260 HG LEU 32 HG LEU 32 -3.967 8.754 -1.707 261 HD11 LEU 32 1HD1 LEU 32 -3.833 6.438 -0.992 262 HD12 LEU 32 2HD1 LEU 32 -4.378 6.532 -2.664 263 HD13 LEU 32 3HD1 LEU 32 -5.537 6.186 -1.378 264 HD21 LEU 32 1HD2 LEU 32 -5.659 8.535 -3.475 265 HD22 LEU 32 2HD2 LEU 32 -6.044 9.856 -2.376 266 HD23 LEU 32 3HD2 LEU 32 -6.920 8.328 -2.258 267 H HIS 33 H HIS 33 -3.597 10.540 2.248 268 HA HIS 33 HA HIS 33 -5.043 9.927 4.546 269 HB2 HIS 33 2HB HIS 33 -2.557 10.119 4.395 270 HB3 HIS 33 3HB HIS 33 -2.700 11.865 4.294 271 HD1 HIS 33 HD1 HIS 33 -1.855 12.754 6.452 272 HD2 HIS 33 HD2 HIS 33 -4.151 9.344 6.983 273 HE1 HIS 33 HE1 HIS 33 -1.915 12.364 8.929 274 HE2 HIS 33 HE2 HIS 33 -3.501 10.437 9.219 275 H GLU 34 H GLU 34 -4.758 13.042 2.860 276 HA GLU 34 HA GLU 34 -5.738 14.654 4.992 277 HB2 GLU 34 2HB GLU 34 -5.985 16.470 3.208 278 HB3 GLU 34 3HB GLU 34 -4.381 15.797 3.441 279 HG2 GLU 34 2HG GLU 34 -4.639 16.088 1.118 280 HG3 GLU 34 3HG GLU 34 -4.767 14.363 1.411 281 H ARG 35 H ARG 35 -7.415 12.757 2.600 282 HA ARG 35 HA ARG 35 -9.999 14.076 3.279 283 HB2 ARG 35 2HB ARG 35 -10.944 13.018 1.328 284 HB3 ARG 35 3HB ARG 35 -9.425 13.765 0.861 285 HG2 ARG 35 2HG ARG 35 -8.508 11.287 1.339 286 HG3 ARG 35 3HG ARG 35 -10.171 10.871 0.954 287 HD2 ARG 35 2HD ARG 35 -8.195 12.346 -0.809 288 HD3 ARG 35 3HD ARG 35 -8.799 10.710 -1.037 289 HE ARG 35 HE ARG 35 -10.917 11.588 -1.675 290 HH11 ARG 35 1HH1 ARG 35 -8.456 14.080 -1.298 291 HH12 ARG 35 2HH1 ARG 35 -9.316 15.238 -2.266 292 HH21 ARG 35 1HH2 ARG 35 -12.025 13.099 -2.951 293 HH22 ARG 35 2HH2 ARG 35 -11.348 14.677 -3.207 294 H GLY 36 H GLY 36 -8.104 11.218 3.791 295 HA2 GLY 36 2HA GLY 36 -8.351 9.494 5.271 296 HA3 GLY 36 3HA GLY 36 -9.781 10.290 5.907 297 H THR 37 H THR 37 -9.475 9.421 2.526 298 HA THR 37 HA THR 37 -11.725 7.652 2.522 299 HB THR 37 HB THR 37 -11.109 8.913 0.470 300 HG1 THR 37 HG1 THR 37 -10.690 6.300 -0.410 301 HG21 THR 37 1HG2 THR 37 -8.664 7.105 0.323 302 HG22 THR 37 2HG2 THR 37 -8.637 8.838 0.657 303 HG23 THR 37 3HG2 THR 37 -9.176 8.251 -0.918 304 H GLU 38 H GLU 38 -11.687 5.355 2.199 305 HA GLU 38 HA GLU 38 -9.652 4.035 3.660 306 HB2 GLU 38 2HB GLU 38 -10.884 1.937 3.172 307 HB3 GLU 38 3HB GLU 38 -11.877 3.200 3.882 308 HG2 GLU 38 2HG GLU 38 -12.917 3.668 1.737 309 HG3 GLU 38 3HG GLU 38 -11.846 2.519 0.930 310 H ILE 39 H ILE 39 -7.799 3.353 3.008 311 HA ILE 39 HA ILE 39 -7.137 2.989 0.164 312 HB ILE 39 HB ILE 39 -5.239 3.045 2.557 313 HG12 ILE 39 2HG1 ILE 39 -5.906 5.397 0.720 314 HG13 ILE 39 3HG1 ILE 39 -6.520 5.217 2.359 315 HG21 ILE 39 1HG2 ILE 39 -4.319 1.972 0.540 316 HG22 ILE 39 2HG2 ILE 39 -3.504 3.505 0.851 317 HG23 ILE 39 3HG2 ILE 39 -4.723 3.400 -0.419 318 HD11 ILE 39 1HD1 ILE 39 -3.620 5.546 1.579 319 HD12 ILE 39 2HD1 ILE 39 -4.227 5.332 3.224 320 HD13 ILE 39 3HD1 ILE 39 -4.673 6.765 2.302 321 H VAL 40 H VAL 40 -7.470 0.939 -0.489 322 HA VAL 40 HA VAL 40 -6.948 -1.358 1.280 323 HB VAL 40 HB VAL 40 -8.352 -1.265 -1.434 324 HG11 VAL 40 1HG1 VAL 40 -9.070 -3.588 -0.945 325 HG12 VAL 40 2HG1 VAL 40 -8.090 -3.577 0.520 326 HG13 VAL 40 3HG1 VAL 40 -7.310 -3.455 -1.057 327 HG21 VAL 40 1HG2 VAL 40 -9.669 -0.092 0.285 328 HG22 VAL 40 2HG2 VAL 40 -9.567 -1.499 1.344 329 HG23 VAL 40 3HG2 VAL 40 -10.458 -1.605 -0.174 330 H VAL 41 H VAL 41 -4.772 -1.738 1.173 331 HA VAL 41 HA VAL 41 -3.347 -1.739 -1.394 332 HB VAL 41 HB VAL 41 -2.307 -2.152 1.447 333 HG11 VAL 41 1HG1 VAL 41 -0.754 -1.746 -1.132 334 HG12 VAL 41 2HG1 VAL 41 -0.848 -3.247 -0.208 335 HG13 VAL 41 3HG1 VAL 41 -0.053 -1.831 0.486 336 HG21 VAL 41 1HG2 VAL 41 -3.183 0.126 1.109 337 HG22 VAL 41 2HG2 VAL 41 -2.168 0.314 -0.324 338 HG23 VAL 41 3HG2 VAL 41 -1.424 0.146 1.269 339 H GLU 42 H GLU 42 -3.451 -3.581 -2.507 340 HA GLU 42 HA GLU 42 -3.813 -6.168 -1.141 341 HB2 GLU 42 2HB GLU 42 -5.783 -5.320 -2.453 342 HB3 GLU 42 3HB GLU 42 -4.782 -5.335 -3.900 343 HG2 GLU 42 2HG GLU 42 -4.466 -7.801 -3.592 344 HG3 GLU 42 3HG GLU 42 -5.600 -7.740 -2.241 345 H VAL 43 H VAL 43 -1.829 -7.097 -1.166 346 HA VAL 43 HA VAL 43 0.031 -6.670 -3.391 347 HB VAL 43 HB VAL 43 0.506 -8.093 -0.734 348 HG11 VAL 43 1HG1 VAL 43 2.089 -8.808 -2.439 349 HG12 VAL 43 2HG1 VAL 43 2.916 -7.765 -1.282 350 HG13 VAL 43 3HG1 VAL 43 2.451 -7.131 -2.862 351 HG21 VAL 43 1HG2 VAL 43 -0.072 -5.720 -0.348 352 HG22 VAL 43 2HG2 VAL 43 1.190 -5.222 -1.476 353 HG23 VAL 43 3HG2 VAL 43 1.626 -6.032 0.030 354 H HIS 44 H HIS 44 -0.377 -8.018 -5.041 355 HA HIS 44 HA HIS 44 -1.154 -10.810 -4.742 356 HB2 HIS 44 2HB HIS 44 -0.557 -9.072 -7.178 357 HB3 HIS 44 3HB HIS 44 -1.027 -10.761 -7.285 358 HD1 HIS 44 HD1 HIS 44 -3.427 -11.168 -7.576 359 HD2 HIS 44 HD2 HIS 44 -2.718 -7.414 -5.936 360 HE1 HIS 44 HE1 HIS 44 -5.656 -10.022 -7.517 361 HE2 HIS 44 HE2 HIS 44 -5.222 -7.812 -6.418 362 H ILE 45 H ILE 45 0.321 -12.363 -4.518 363 HA ILE 45 HA ILE 45 3.016 -12.173 -5.695 364 HB ILE 45 HB ILE 45 2.365 -12.603 -2.760 365 HG12 ILE 45 2HG1 ILE 45 4.322 -10.833 -4.266 366 HG13 ILE 45 3HG1 ILE 45 2.927 -10.324 -3.326 367 HG21 ILE 45 1HG2 ILE 45 4.632 -13.474 -2.335 368 HG22 ILE 45 2HG2 ILE 45 4.953 -13.495 -4.067 369 HG23 ILE 45 3HG2 ILE 45 3.723 -14.560 -3.389 370 HD11 ILE 45 1HD1 ILE 45 4.920 -9.819 -2.139 371 HD12 ILE 45 2HD1 ILE 45 5.496 -11.478 -2.277 372 HD13 ILE 45 3HD1 ILE 45 4.078 -11.113 -1.288 373 H ASN 46 H ASN 46 2.798 -13.756 -7.151 374 HA ASN 46 HA ASN 46 2.716 -15.816 -8.106 375 HB2 ASN 46 2HB ASN 46 3.712 -16.533 -5.315 376 HB3 ASN 46 3HB ASN 46 3.710 -17.674 -6.654 377 HD21 ASN 46 1HD2 ASN 46 5.077 -14.654 -5.496 378 HD22 ASN 46 2HD2 ASN 46 6.457 -14.652 -6.529 379 H GLY 47 H GLY 47 0.201 -14.891 -6.943 380 HA2 GLY 47 2HA GLY 47 -1.820 -16.083 -7.618 381 HA3 GLY 47 3HA GLY 47 -1.202 -17.510 -6.802 382 H GLU 48 H GLU 48 -0.272 -15.531 -4.572 383 HA GLU 48 HA GLU 48 -2.778 -15.609 -3.033 384 HB2 GLU 48 2HB GLU 48 0.053 -14.910 -2.085 385 HB3 GLU 48 3HB GLU 48 -1.352 -15.184 -1.063 386 HG2 GLU 48 2HG GLU 48 -1.414 -17.554 -1.854 387 HG3 GLU 48 3HG GLU 48 0.064 -17.251 -2.762 388 H ARG 49 H ARG 49 -4.029 -13.796 -3.326 389 HA ARG 49 HA ARG 49 -2.809 -11.134 -3.513 390 HB2 ARG 49 2HB ARG 49 -5.093 -10.318 -3.954 391 HB3 ARG 49 3HB ARG 49 -4.703 -11.659 -5.018 392 HG2 ARG 49 2HG ARG 49 -6.052 -13.167 -3.567 393 HG3 ARG 49 3HG ARG 49 -6.494 -11.778 -2.571 394 HD2 ARG 49 2HD ARG 49 -7.557 -10.723 -4.550 395 HD3 ARG 49 3HD ARG 49 -7.135 -12.140 -5.520 396 HE ARG 49 HE ARG 49 -8.565 -13.150 -3.398 397 HH11 ARG 49 1HH1 ARG 49 -9.233 -10.751 -5.881 398 HH12 ARG 49 2HH1 ARG 49 -10.944 -11.064 -5.892 399 HH21 ARG 49 1HH2 ARG 49 -10.811 -13.569 -3.451 400 HH22 ARG 49 2HH2 ARG 49 -11.830 -12.654 -4.520 401 H ASP 50 H ASP 50 -2.499 -9.892 -1.716 402 HA ASP 50 HA ASP 50 -3.704 -10.800 0.845 403 HB2 ASP 50 2HB ASP 50 -1.092 -10.775 0.479 404 HB3 ASP 50 3HB ASP 50 -1.241 -9.025 0.574 405 H GLU 51 H GLU 51 -5.371 -9.493 1.412 406 HA GLU 51 HA GLU 51 -5.555 -6.793 0.232 407 HB2 GLU 51 2HB GLU 51 -7.332 -8.440 -0.308 408 HB3 GLU 51 3HB GLU 51 -7.712 -8.600 1.405 409 HG2 GLU 51 2HG GLU 51 -8.385 -6.210 1.469 410 HG3 GLU 51 3HG GLU 51 -8.015 -6.067 -0.251 411 H ILE 52 H ILE 52 -4.933 -5.227 1.561 412 HA ILE 52 HA ILE 52 -5.361 -5.385 4.501 413 HB ILE 52 HB ILE 52 -3.246 -3.794 2.952 414 HG12 ILE 52 2HG1 ILE 52 -2.854 -6.346 4.582 415 HG13 ILE 52 3HG1 ILE 52 -2.867 -6.271 2.826 416 HG21 ILE 52 1HG2 ILE 52 -3.847 -2.715 5.081 417 HG22 ILE 52 2HG2 ILE 52 -2.207 -3.365 5.158 418 HG23 ILE 52 3HG2 ILE 52 -3.531 -4.222 5.947 419 HD11 ILE 52 1HD1 ILE 52 -0.840 -4.968 4.638 420 HD12 ILE 52 2HD1 ILE 52 -0.865 -4.871 2.873 421 HD13 ILE 52 3HD1 ILE 52 -0.620 -6.425 3.667 422 H ARG 53 H ARG 53 -7.178 -4.161 4.931 423 HA ARG 53 HA ARG 53 -7.756 -1.733 3.325 424 HB2 ARG 53 2HB ARG 53 -9.711 -3.309 5.052 425 HB3 ARG 53 3HB ARG 53 -10.093 -2.018 3.922 426 HG2 ARG 53 2HG ARG 53 -9.352 -3.499 2.046 427 HG3 ARG 53 3HG ARG 53 -9.101 -4.795 3.220 428 HD2 ARG 53 2HD ARG 53 -11.255 -5.128 2.194 429 HD3 ARG 53 3HD ARG 53 -11.526 -4.596 3.857 430 HE ARG 53 HE ARG 53 -11.541 -2.332 2.184 431 HH11 ARG 53 1HH1 ARG 53 -13.564 -5.139 2.833 432 HH12 ARG 53 2HH1 ARG 53 -15.020 -4.335 2.339 433 HH21 ARG 53 1HH2 ARG 53 -13.461 -1.348 1.464 434 HH22 ARG 53 2HH2 ARG 53 -14.965 -2.207 1.569 435 H VAL 54 H VAL 54 -7.214 0.081 4.351 436 HA VAL 54 HA VAL 54 -7.913 0.432 7.229 437 HB VAL 54 HB VAL 54 -6.173 2.232 7.311 438 HG11 VAL 54 1HG1 VAL 54 -5.598 0.004 8.151 439 HG12 VAL 54 2HG1 VAL 54 -4.186 0.771 7.423 440 HG13 VAL 54 3HG1 VAL 54 -5.056 -0.489 6.543 441 HG21 VAL 54 1HG2 VAL 54 -4.472 2.451 5.524 442 HG22 VAL 54 2HG2 VAL 54 -6.083 2.803 4.904 443 HG23 VAL 54 3HG2 VAL 54 -5.326 1.250 4.552 444 H ARG 55 H ARG 55 -9.091 2.344 7.692 445 HA ARG 55 HA ARG 55 -10.183 3.765 5.332 446 HB2 ARG 55 2HB ARG 55 -11.356 3.796 8.140 447 HB3 ARG 55 3HB ARG 55 -12.097 4.364 6.649 448 HG2 ARG 55 2HG ARG 55 -11.763 1.805 5.941 449 HG3 ARG 55 3HG ARG 55 -11.807 1.582 7.687 450 HD2 ARG 55 2HD ARG 55 -14.047 1.280 6.958 451 HD3 ARG 55 3HD ARG 55 -14.013 2.909 7.643 452 HE ARG 55 HE ARG 55 -14.234 2.172 4.797 453 HH11 ARG 55 1HH1 ARG 55 -14.066 4.769 7.162 454 HH12 ARG 55 2HH1 ARG 55 -14.636 5.970 6.052 455 HH21 ARG 55 1HH2 ARG 55 -14.931 3.754 3.341 456 HH22 ARG 55 2HH2 ARG 55 -15.127 5.395 3.880 457 H ASN 56 H ASN 56 -9.506 4.470 8.742 458 HA ASN 56 HA ASN 56 -8.353 7.064 7.945 459 HB2 ASN 56 2HB ASN 56 -10.759 6.842 9.284 460 HB3 ASN 56 3HB ASN 56 -9.654 6.890 10.654 461 HD21 ASN 56 1HD2 ASN 56 -10.689 8.551 7.755 462 HD22 ASN 56 2HD2 ASN 56 -10.181 10.150 8.249 463 H ILE 57 H ILE 57 -6.303 6.933 8.288 464 HA ILE 57 HA ILE 57 -5.192 5.569 10.659 465 HB ILE 57 HB ILE 57 -3.183 5.064 8.913 466 HG12 ILE 57 2HG1 ILE 57 -4.161 4.184 6.717 467 HG13 ILE 57 3HG1 ILE 57 -5.659 5.021 7.099 468 HG21 ILE 57 1HG2 ILE 57 -4.020 2.766 8.704 469 HG22 ILE 57 2HG2 ILE 57 -5.627 3.294 9.207 470 HG23 ILE 57 3HG2 ILE 57 -4.268 3.405 10.330 471 HD11 ILE 57 1HD1 ILE 57 -2.976 6.309 6.628 472 HD12 ILE 57 2HD1 ILE 57 -4.485 7.160 6.965 473 HD13 ILE 57 3HD1 ILE 57 -4.311 6.224 5.480 474 H SER 58 H SER 58 -3.223 6.435 11.418 475 HA SER 58 HA SER 58 -2.891 9.276 11.059 476 HB2 SER 58 2HB SER 58 -1.253 7.266 12.663 477 HB3 SER 58 3HB SER 58 -1.201 9.021 12.843 478 HG SER 58 HG SER 58 -2.540 8.124 14.397 479 H LYS 59 H LYS 59 -0.349 9.950 11.032 480 HA LYS 59 HA LYS 59 0.772 9.340 8.480 481 HB2 LYS 59 2HB LYS 59 2.777 10.624 9.331 482 HB3 LYS 59 3HB LYS 59 1.256 11.492 9.512 483 HG2 LYS 59 2HG LYS 59 1.169 10.948 11.885 484 HG3 LYS 59 3HG LYS 59 2.617 9.950 11.743 485 HD2 LYS 59 2HD LYS 59 3.944 11.962 11.170 486 HD3 LYS 59 3HD LYS 59 2.493 12.962 11.304 487 HE2 LYS 59 2HE LYS 59 2.308 12.433 13.684 488 HE3 LYS 59 3HE LYS 59 3.670 11.315 13.572 489 HZ1 LYS 59 1HZ LYS 59 3.846 14.232 13.042 490 HZ2 LYS 59 2HZ LYS 59 5.129 13.134 13.096 491 HZ3 LYS 59 3HZ LYS 59 4.266 13.494 14.501 492 H GLU 60 H GLU 60 1.509 8.265 11.783 493 HA GLU 60 HA GLU 60 3.702 6.544 11.195 494 HB2 GLU 60 2HB GLU 60 3.294 5.666 13.509 495 HB3 GLU 60 3HB GLU 60 3.344 7.423 13.455 496 HG2 GLU 60 2HG GLU 60 0.879 7.513 13.512 497 HG3 GLU 60 3HG GLU 60 0.804 5.755 13.545 498 H GLU 61 H GLU 61 0.251 6.191 11.003 499 HA GLU 61 HA GLU 61 0.307 3.282 10.893 500 HB2 GLU 61 2HB GLU 61 -1.969 5.278 10.875 501 HB3 GLU 61 3HB GLU 61 -2.205 3.543 10.696 502 HG2 GLU 61 2HG GLU 61 -0.934 4.897 13.092 503 HG3 GLU 61 3HG GLU 61 -2.588 4.295 13.005 504 H LEU 62 H LEU 62 -0.017 5.998 8.588 505 HA LEU 62 HA LEU 62 -0.845 4.314 6.427 506 HB2 LEU 62 2HB LEU 62 -0.437 6.133 4.923 507 HB3 LEU 62 3HB LEU 62 -1.224 6.743 6.357 508 HG LEU 62 HG LEU 62 1.177 7.522 7.090 509 HD11 LEU 62 1HD1 LEU 62 2.742 8.069 5.291 510 HD12 LEU 62 2HD1 LEU 62 1.686 7.299 4.105 511 HD13 LEU 62 3HD1 LEU 62 2.466 6.325 5.347 512 HD21 LEU 62 1HD2 LEU 62 -0.257 8.911 4.808 513 HD22 LEU 62 2HD2 LEU 62 0.904 9.657 5.912 514 HD23 LEU 62 3HD2 LEU 62 -0.635 9.060 6.526 515 H LYS 63 H LYS 63 2.199 5.334 7.797 516 HA LYS 63 HA LYS 63 4.080 4.161 6.174 517 HB2 LYS 63 2HB LYS 63 3.920 4.552 9.168 518 HB3 LYS 63 3HB LYS 63 5.271 3.646 8.500 519 HG2 LYS 63 2HG LYS 63 4.543 6.469 7.658 520 HG3 LYS 63 3HG LYS 63 5.732 6.085 8.903 521 HD2 LYS 63 2HD LYS 63 5.903 5.295 5.960 522 HD3 LYS 63 3HD LYS 63 6.858 6.536 6.773 523 HE2 LYS 63 2HE LYS 63 7.891 4.805 8.218 524 HE3 LYS 63 3HE LYS 63 6.949 3.561 7.396 525 HZ1 LYS 63 1HZ LYS 63 8.967 5.319 6.114 526 HZ2 LYS 63 2HZ LYS 63 8.089 4.098 5.347 527 HZ3 LYS 63 3HZ LYS 63 9.207 3.704 6.549 528 H LYS 64 H LYS 64 1.857 2.591 8.486 529 HA LYS 64 HA LYS 64 3.120 0.075 8.665 530 HB2 LYS 64 2HB LYS 64 0.179 0.819 8.984 531 HB3 LYS 64 3HB LYS 64 0.816 -0.780 9.346 532 HG2 LYS 64 2HG LYS 64 1.685 1.784 10.694 533 HG3 LYS 64 3HG LYS 64 0.554 0.608 11.372 534 HD2 LYS 64 2HD LYS 64 2.341 -1.113 11.371 535 HD3 LYS 64 3HD LYS 64 3.470 0.051 10.666 536 HE2 LYS 64 2HE LYS 64 3.818 -0.193 13.084 537 HE3 LYS 64 3HE LYS 64 3.304 1.445 12.682 538 HZ1 LYS 64 1HZ LYS 64 2.150 0.661 14.619 539 HZ2 LYS 64 2HZ LYS 64 1.596 -0.712 13.803 540 HZ3 LYS 64 3HZ LYS 64 1.044 0.822 13.351 541 H LEU 65 H LEU 65 0.978 1.462 6.216 542 HA LEU 65 HA LEU 65 0.125 -0.957 4.981 543 HB2 LEU 65 2HB LEU 65 0.336 1.913 3.980 544 HB3 LEU 65 3HB LEU 65 -0.174 0.640 2.904 545 HG LEU 65 HG LEU 65 -2.133 1.797 3.718 546 HD11 LEU 65 1HD1 LEU 65 -2.408 -0.602 3.376 547 HD12 LEU 65 2HD1 LEU 65 -3.445 -0.024 4.675 548 HD13 LEU 65 3HD1 LEU 65 -1.972 -0.914 5.058 549 HD21 LEU 65 1HD2 LEU 65 -1.212 2.758 5.752 550 HD22 LEU 65 2HD2 LEU 65 -1.214 1.182 6.538 551 HD23 LEU 65 3HD2 LEU 65 -2.737 1.949 6.086 552 H LEU 66 H LEU 66 2.848 1.210 4.248 553 HA LEU 66 HA LEU 66 3.838 -0.464 2.107 554 HB2 LEU 66 2HB LEU 66 5.646 1.223 1.929 555 HB3 LEU 66 3HB LEU 66 4.037 1.911 1.855 556 HG LEU 66 HG LEU 66 4.533 2.239 4.527 557 HD11 LEU 66 1HD1 LEU 66 7.268 2.590 3.284 558 HD12 LEU 66 2HD1 LEU 66 6.804 1.362 4.464 559 HD13 LEU 66 3HD1 LEU 66 6.792 3.063 4.920 560 HD21 LEU 66 1HD2 LEU 66 5.343 4.206 2.395 561 HD22 LEU 66 2HD2 LEU 66 5.009 4.575 4.091 562 HD23 LEU 66 3HD2 LEU 66 3.722 3.973 3.051 563 H GLU 67 H GLU 67 4.402 -0.201 5.531 564 HA GLU 67 HA GLU 67 6.891 -1.663 5.527 565 HB2 GLU 67 2HB GLU 67 4.895 -1.220 7.800 566 HB3 GLU 67 3HB GLU 67 6.490 -1.939 7.990 567 HG2 GLU 67 2HG GLU 67 5.971 0.882 7.024 568 HG3 GLU 67 3HG GLU 67 6.381 0.453 8.674 569 H ARG 68 H ARG 68 3.455 -2.488 5.679 570 HA ARG 68 HA ARG 68 3.858 -5.296 6.037 571 HB2 ARG 68 2HB ARG 68 1.427 -3.853 4.912 572 HB3 ARG 68 3HB ARG 68 1.492 -5.549 5.367 573 HG2 ARG 68 2HG ARG 68 2.324 -4.322 7.710 574 HG3 ARG 68 3HG ARG 68 1.177 -3.153 7.083 575 HD2 ARG 68 2HD ARG 68 0.084 -4.703 8.606 576 HD3 ARG 68 3HD ARG 68 -0.546 -4.898 6.965 577 HE ARG 68 HE ARG 68 1.598 -6.688 7.903 578 HH11 ARG 68 1HH1 ARG 68 -1.781 -6.332 6.942 579 HH12 ARG 68 2HH1 ARG 68 -2.030 -8.045 6.805 580 HH21 ARG 68 1HH2 ARG 68 1.251 -8.890 7.736 581 HH22 ARG 68 2HH2 ARG 68 -0.304 -9.493 7.260 582 H ILE 69 H ILE 69 3.485 -3.186 3.163 583 HA ILE 69 HA ILE 69 3.618 -5.112 1.122 584 HB ILE 69 HB ILE 69 4.835 -2.305 1.164 585 HG12 ILE 69 2HG1 ILE 69 2.217 -3.218 -0.114 586 HG13 ILE 69 3HG1 ILE 69 2.331 -2.410 1.444 587 HG21 ILE 69 1HG2 ILE 69 4.385 -4.107 -1.243 588 HG22 ILE 69 2HG2 ILE 69 5.947 -3.622 -0.583 589 HG23 ILE 69 3HG2 ILE 69 4.890 -2.418 -1.319 590 HD11 ILE 69 1HD1 ILE 69 1.688 -0.836 -0.256 591 HD12 ILE 69 2HD1 ILE 69 3.098 -1.246 -1.232 592 HD13 ILE 69 3HD1 ILE 69 3.304 -0.440 0.325 593 H ARG 70 H ARG 70 6.163 -3.445 2.943 594 HA ARG 70 HA ARG 70 8.484 -4.378 1.744 595 HB2 ARG 70 2HB ARG 70 8.415 -2.589 3.449 596 HB3 ARG 70 3HB ARG 70 8.017 -3.769 4.693 597 HG2 ARG 70 2HG ARG 70 10.321 -4.869 3.823 598 HG3 ARG 70 3HG ARG 70 10.639 -3.206 3.348 599 HD2 ARG 70 2HD ARG 70 9.877 -4.050 6.145 600 HD3 ARG 70 3HD ARG 70 11.534 -3.875 5.587 601 HE ARG 70 HE ARG 70 9.660 -1.576 5.571 602 HH11 ARG 70 1HH1 ARG 70 12.690 -3.030 6.631 603 HH12 ARG 70 2HH1 ARG 70 13.289 -1.562 7.342 604 HH21 ARG 70 1HH2 ARG 70 10.425 0.322 6.605 605 HH22 ARG 70 2HH2 ARG 70 12.010 0.337 7.326 606 H GLU 71 H GLU 71 6.554 -5.809 4.385 607 HA GLU 71 HA GLU 71 8.091 -8.025 5.090 608 HB2 GLU 71 2HB GLU 71 5.045 -7.860 4.955 609 HB3 GLU 71 3HB GLU 71 5.958 -9.093 5.815 610 HG2 GLU 71 2HG GLU 71 6.920 -7.281 7.259 611 HG3 GLU 71 3HG GLU 71 5.823 -6.149 6.470 612 H LYS 72 H LYS 72 5.745 -7.547 2.490 613 HA LYS 72 HA LYS 72 5.454 -10.308 1.791 614 HB2 LYS 72 2HB LYS 72 4.729 -7.862 0.114 615 HB3 LYS 72 3HB LYS 72 4.085 -9.490 -0.062 616 HG2 LYS 72 2HG LYS 72 3.590 -7.559 2.195 617 HG3 LYS 72 3HG LYS 72 2.430 -8.105 0.991 618 HD2 LYS 72 2HD LYS 72 2.581 -10.413 1.947 619 HD3 LYS 72 3HD LYS 72 3.699 -9.801 3.178 620 HE2 LYS 72 2HE LYS 72 1.999 -8.444 4.175 621 HE3 LYS 72 3HE LYS 72 0.895 -8.696 2.819 622 HZ1 LYS 72 1HZ LYS 72 0.806 -11.056 3.417 623 HZ2 LYS 72 2HZ LYS 72 0.251 -10.056 4.664 624 HZ3 LYS 72 3HZ LYS 72 1.789 -10.749 4.762 625 H ILE 73 H ILE 73 7.126 -7.545 0.296 626 HA ILE 73 HA ILE 73 7.972 -8.959 -2.013 627 HB ILE 73 HB ILE 73 9.286 -6.968 -2.583 628 HG12 ILE 73 2HG1 ILE 73 8.871 -4.944 -0.692 629 HG13 ILE 73 3HG1 ILE 73 9.105 -6.338 0.347 630 HG21 ILE 73 1HG2 ILE 73 7.466 -5.289 -2.622 631 HG22 ILE 73 2HG2 ILE 73 6.577 -6.229 -1.422 632 HG23 ILE 73 3HG2 ILE 73 6.880 -6.906 -3.024 633 HD11 ILE 73 1HD1 ILE 73 11.047 -5.363 -1.745 634 HD12 ILE 73 2HD1 ILE 73 11.285 -6.750 -0.678 635 HD13 ILE 73 3HD1 ILE 73 11.169 -5.131 -0.002 636 H GLU 74 H GLU 74 9.432 -8.451 1.174 637 HA GLU 74 HA GLU 74 12.050 -9.463 0.445 638 HB2 GLU 74 2HB GLU 74 10.806 -8.947 3.178 639 HB3 GLU 74 3HB GLU 74 12.483 -9.426 2.922 640 HG2 GLU 74 2HG GLU 74 12.829 -7.339 1.573 641 HG3 GLU 74 3HG GLU 74 11.186 -6.847 1.979 642 H ARG 75 H ARG 75 9.183 -10.828 2.119 643 HA ARG 75 HA ARG 75 10.471 -13.299 2.822 644 HB2 ARG 75 2HB ARG 75 8.301 -14.094 3.572 645 HB3 ARG 75 3HB ARG 75 8.513 -12.429 4.094 646 HG2 ARG 75 2HG ARG 75 7.073 -11.690 2.187 647 HG3 ARG 75 3HG ARG 75 6.792 -13.383 1.784 648 HD2 ARG 75 2HD ARG 75 4.929 -12.425 3.084 649 HD3 ARG 75 3HD ARG 75 5.714 -13.747 3.952 650 HE ARG 75 HE ARG 75 6.784 -11.183 4.676 651 HH11 ARG 75 1HH1 ARG 75 4.088 -13.362 5.328 652 HH12 ARG 75 2HH1 ARG 75 3.792 -12.715 6.918 653 HH21 ARG 75 1HH2 ARG 75 6.412 -10.376 6.774 654 HH22 ARG 75 2HH2 ARG 75 5.111 -11.024 7.732 655 H GLU 76 H GLU 76 8.698 -12.179 0.036 656 HA GLU 76 HA GLU 76 8.672 -14.766 -1.281 657 HB2 GLU 76 2HB GLU 76 6.860 -13.200 -1.755 658 HB3 GLU 76 3HB GLU 76 8.002 -11.967 -2.265 659 HG2 GLU 76 2HG GLU 76 8.472 -14.298 -3.895 660 HG3 GLU 76 3HG GLU 76 6.742 -14.021 -3.859 661 H GLY 77 H GLY 77 9.970 -11.631 -2.479 662 HA2 GLY 77 2HA GLY 77 11.903 -11.042 -3.548 663 HA3 GLY 77 3HA GLY 77 12.709 -12.217 -2.516 664 H SER 78 H SER 78 10.206 -12.894 -4.910 665 HA SER 78 HA SER 78 12.027 -14.842 -6.178 666 HB2 SER 78 2HB SER 78 9.951 -15.763 -5.171 667 HB3 SER 78 3HB SER 78 8.980 -14.744 -6.234 668 HG SER 78 HG SER 78 9.768 -17.127 -6.744 669 H SER 79 H SER 79 9.237 -12.858 -7.228 670 HA SER 79 HA SER 79 10.440 -11.369 -9.245 671 HB2 SER 79 2HB SER 79 10.933 -13.596 -10.312 672 HB3 SER 79 3HB SER 79 9.205 -13.947 -10.353 673 HG SER 79 HG SER 79 8.991 -12.057 -11.702 674 H GLU 80 H GLU 80 7.563 -13.422 -8.709 675 HA GLU 80 HA GLU 80 5.808 -11.627 -10.154 676 HB2 GLU 80 2HB GLU 80 5.633 -14.077 -10.414 677 HB3 GLU 80 3HB GLU 80 5.268 -14.245 -8.705 678 HG2 GLU 80 2HG GLU 80 3.232 -14.505 -9.974 679 HG3 GLU 80 3HG GLU 80 3.137 -13.002 -9.062 680 H VAL 81 H VAL 81 5.792 -9.762 -8.875 681 HA VAL 81 HA VAL 81 3.990 -9.826 -6.569 682 HB VAL 81 HB VAL 81 6.174 -9.832 -5.509 683 HG11 VAL 81 1HG1 VAL 81 7.577 -9.009 -7.343 684 HG12 VAL 81 2HG1 VAL 81 7.885 -8.086 -5.871 685 HG13 VAL 81 3HG1 VAL 81 6.905 -7.386 -7.162 686 HG21 VAL 81 1HG2 VAL 81 4.427 -8.458 -4.442 687 HG22 VAL 81 2HG2 VAL 81 4.968 -7.042 -5.345 688 HG23 VAL 81 3HG2 VAL 81 6.030 -7.781 -4.146 689 H GLU 82 H GLU 82 2.496 -8.265 -6.646 690 HA GLU 82 HA GLU 82 2.920 -5.743 -8.073 691 HB2 GLU 82 2HB GLU 82 1.837 -7.274 -9.715 692 HB3 GLU 82 3HB GLU 82 0.519 -7.553 -8.578 693 HG2 GLU 82 2HG GLU 82 -0.032 -5.105 -8.683 694 HG3 GLU 82 3HG GLU 82 1.225 -4.908 -9.906 695 H VAL 83 H VAL 83 2.202 -4.115 -6.807 696 HA VAL 83 HA VAL 83 0.467 -4.634 -4.483 697 HB VAL 83 HB VAL 83 2.251 -2.241 -5.136 698 HG11 VAL 83 1HG1 VAL 83 0.328 -1.559 -3.757 699 HG12 VAL 83 2HG1 VAL 83 1.821 -1.492 -2.819 700 HG13 VAL 83 3HG1 VAL 83 0.696 -2.832 -2.590 701 HG21 VAL 83 1HG2 VAL 83 3.561 -4.276 -4.659 702 HG22 VAL 83 2HG2 VAL 83 2.690 -4.493 -3.139 703 HG23 VAL 83 3HG2 VAL 83 3.742 -3.094 -3.357 704 H ASN 84 H ASN 84 -1.632 -4.166 -4.787 705 HA ASN 84 HA ASN 84 -2.492 -2.197 -6.831 706 HB2 ASN 84 2HB ASN 84 -4.057 -4.433 -5.450 707 HB3 ASN 84 3HB ASN 84 -4.717 -3.330 -6.642 708 HD21 ASN 84 1HD2 ASN 84 -1.572 -5.036 -6.780 709 HD22 ASN 84 2HD2 ASN 84 -1.989 -5.946 -8.187 710 H VAL 85 H VAL 85 -2.610 -0.240 -5.783 711 HA VAL 85 HA VAL 85 -3.829 -0.043 -3.117 712 HB VAL 85 HB VAL 85 -2.487 2.102 -4.826 713 HG11 VAL 85 1HG1 VAL 85 -3.469 2.277 -1.949 714 HG12 VAL 85 2HG1 VAL 85 -4.162 3.123 -3.334 715 HG13 VAL 85 3HG1 VAL 85 -2.533 3.520 -2.786 716 HG21 VAL 85 1HG2 VAL 85 -0.885 0.411 -4.060 717 HG22 VAL 85 2HG2 VAL 85 -1.453 0.596 -2.398 718 HG23 VAL 85 3HG2 VAL 85 -0.625 1.931 -3.199 719 H HIS 86 H HIS 86 -5.955 -0.017 -3.165 720 HA HIS 86 HA HIS 86 -7.500 1.133 -5.393 721 HB2 HIS 86 2HB HIS 86 -8.565 -0.577 -3.100 722 HB3 HIS 86 3HB HIS 86 -9.333 -0.261 -4.649 723 HD1 HIS 86 HD1 HIS 86 -8.584 -1.708 -6.658 724 HD2 HIS 86 HD2 HIS 86 -6.673 -2.674 -3.104 725 HE1 HIS 86 HE1 HIS 86 -7.489 -3.926 -7.053 726 HE2 HIS 86 HE2 HIS 86 -6.540 -4.576 -4.831 727 H SER 87 H SER 87 -8.503 3.083 -5.003 728 HA SER 87 HA SER 87 -9.355 3.900 -2.357 729 HB2 SER 87 2HB SER 87 -6.896 4.429 -2.331 730 HB3 SER 87 3HB SER 87 -7.128 5.469 -3.738 731 HG SER 87 HG SER 87 -7.422 6.097 -1.206 732 H GLY 88 H GLY 88 -11.328 4.581 -2.849 733 HA2 GLY 88 2HA GLY 88 -13.026 5.899 -3.648 734 HA3 GLY 88 3HA GLY 88 -11.807 6.943 -4.358 735 H GLY 89 H GLY 89 -11.669 3.636 -5.314 736 HA2 GLY 89 2HA GLY 89 -12.770 2.566 -7.158 737 HA3 GLY 89 3HA GLY 89 -13.142 4.138 -7.846 738 H GLN 90 H GLN 90 -10.124 4.734 -7.000 739 HA GLN 90 HA GLN 90 -9.013 3.953 -9.608 740 HB2 GLN 90 2HB GLN 90 -8.021 5.875 -7.453 741 HB3 GLN 90 3HB GLN 90 -7.070 5.468 -8.876 742 HG2 GLN 90 2HG GLN 90 -8.110 7.577 -9.286 743 HG3 GLN 90 3HG GLN 90 -8.906 6.388 -10.309 744 HE21 GLN 90 1HE2 GLN 90 -9.523 6.922 -6.850 745 HE22 GLN 90 2HE2 GLN 90 -11.139 7.492 -7.062 746 H THR 91 H THR 91 -7.653 2.269 -9.827 747 HA THR 91 HA THR 91 -6.265 1.164 -7.450 748 HB THR 91 HB THR 91 -7.111 -0.275 -10.006 749 HG1 THR 91 HG1 THR 91 -8.865 0.096 -8.645 750 HG21 THR 91 1HG2 THR 91 -5.754 -1.387 -7.511 751 HG22 THR 91 2HG2 THR 91 -5.000 -1.226 -9.100 752 HG23 THR 91 3HG2 THR 91 -6.346 -2.344 -8.868 753 H TRP 92 H TRP 92 -4.212 1.904 -7.473 754 HA TRP 92 HA TRP 92 -2.682 2.098 -9.975 755 HB2 TRP 92 2HB TRP 92 -1.887 2.811 -7.111 756 HB3 TRP 92 3HB TRP 92 -0.944 3.153 -8.561 757 HD1 TRP 92 HD1 TRP 92 -1.944 5.094 -10.236 758 HE1 TRP 92 HE1 TRP 92 -3.458 7.113 -9.738 759 HE3 TRP 92 HE3 TRP 92 -3.804 3.632 -5.699 760 HZ2 TRP 92 HZ2 TRP 92 -5.193 7.979 -7.695 761 HZ3 TRP 92 HZ3 TRP 92 -5.388 5.110 -4.535 762 HH2 TRP 92 HH2 TRP 92 -6.072 7.245 -5.514 763 H THR 93 H THR 93 -1.682 0.274 -10.641 764 HA THR 93 HA THR 93 -1.013 -1.882 -8.731 765 HB THR 93 HB THR 93 -0.738 -3.265 -10.863 766 HG1 THR 93 HG1 THR 93 -1.806 -2.297 -12.731 767 HG21 THR 93 1HG2 THR 93 -2.843 -3.353 -9.563 768 HG22 THR 93 2HG2 THR 93 -3.148 -3.517 -11.292 769 HG23 THR 93 3HG2 THR 93 -3.471 -1.981 -10.482 770 H PHE 94 H PHE 94 1.080 -2.336 -8.239 771 HA PHE 94 HA PHE 94 3.269 -0.895 -9.639 772 HB2 PHE 94 2HB PHE 94 3.007 -1.448 -6.643 773 HB3 PHE 94 3HB PHE 94 4.380 -0.668 -7.412 774 HD1 PHE 94 HD1 PHE 94 4.194 1.653 -8.263 775 HD2 PHE 94 HD2 PHE 94 0.948 -0.210 -6.190 776 HE1 PHE 94 HE1 PHE 94 3.165 3.852 -7.872 777 HE2 PHE 94 HE2 PHE 94 -0.073 1.995 -5.815 778 HZ PHE 94 HZ PHE 94 1.038 4.027 -6.648 779 H ASN 95 H ASN 95 4.274 -2.528 -10.759 780 HA ASN 95 HA ASN 95 5.094 -5.001 -9.356 781 HB2 ASN 95 2HB ASN 95 5.340 -4.234 -12.310 782 HB3 ASN 95 3HB ASN 95 5.873 -5.759 -11.616 783 HD21 ASN 95 1HD2 ASN 95 3.079 -3.875 -12.571 784 HD22 ASN 95 2HD2 ASN 95 1.932 -5.163 -12.430 785 H GLU 96 H GLU 96 7.364 -5.606 -9.396 786 HA GLU 96 HA GLU 96 9.023 -3.518 -8.463 787 HB2 GLU 96 2HB GLU 96 9.267 -5.831 -7.655 788 HB3 GLU 96 3HB GLU 96 9.780 -6.362 -9.255 789 HG2 GLU 96 2HG GLU 96 11.797 -4.923 -9.081 790 HG3 GLU 96 3HG GLU 96 11.288 -4.402 -7.478 791 H LYS 97 H LYS 97 10.257 -2.129 -9.552 792 HA LYS 97 HA LYS 97 10.631 -2.223 -12.400 793 HB2 LYS 97 2HB LYS 97 11.924 -0.385 -10.330 794 HB3 LYS 97 3HB LYS 97 11.917 -0.124 -12.070 795 HG2 LYS 97 2HG LYS 97 9.460 -0.161 -10.293 796 HG3 LYS 97 3HG LYS 97 10.258 1.289 -10.904 797 HD2 LYS 97 2HD LYS 97 9.710 0.635 -13.220 798 HD3 LYS 97 3HD LYS 97 8.966 -0.858 -12.639 799 HE2 LYS 97 2HE LYS 97 7.257 0.455 -11.446 800 HE3 LYS 97 3HE LYS 97 8.009 1.953 -12.002 801 HZ1 LYS 97 1HZ LYS 97 6.857 -0.131 -13.775 802 HZ2 LYS 97 2HZ LYS 97 7.506 1.349 -14.268 803 HZ3 LYS 97 3HZ LYS 97 6.092 1.310 -13.342 Start of MODEL 20 1 H1 MET 1 1H MET 1 15.248 -37.666 -15.892 2 H2 MET 1 2H MET 1 15.855 -37.332 -14.354 3 H3 MET 1 3H MET 1 14.333 -36.763 -14.798 4 HA MET 1 HA MET 1 13.455 -38.959 -14.917 5 HB2 MET 1 2HB MET 1 16.266 -39.834 -14.090 6 HB3 MET 1 3HB MET 1 14.875 -40.906 -14.199 7 HG2 MET 1 2HG MET 1 14.728 -40.453 -16.621 8 HG3 MET 1 3HG MET 1 16.145 -39.406 -16.497 9 HE1 MET 1 1HE MET 1 17.608 -42.514 -18.364 10 HE2 MET 1 2HE MET 1 17.478 -40.756 -18.360 11 HE3 MET 1 3HE MET 1 16.038 -41.751 -18.594 12 H GLY 2 H GLY 2 12.158 -39.220 -13.181 13 HA2 GLY 2 2HA GLY 2 11.309 -39.165 -11.055 14 HA3 GLY 2 3HA GLY 2 12.955 -39.334 -10.459 15 H HIS 3 H HIS 3 12.415 -37.842 -8.731 16 HA HIS 3 HA HIS 3 12.750 -35.031 -9.575 17 HB2 HIS 3 2HB HIS 3 11.130 -34.284 -7.799 18 HB3 HIS 3 3HB HIS 3 10.384 -35.135 -9.139 19 HD1 HIS 3 HD1 HIS 3 9.110 -37.287 -8.617 20 HD2 HIS 3 HD2 HIS 3 10.994 -35.654 -5.291 21 HE1 HIS 3 HE1 HIS 3 8.148 -38.478 -6.632 22 HE2 HIS 3 HE2 HIS 3 9.448 -37.615 -4.669 23 H HIS 4 H HIS 4 14.590 -34.350 -8.733 24 HA HIS 4 HA HIS 4 15.872 -35.696 -6.507 25 HB2 HIS 4 2HB HIS 4 17.771 -34.178 -6.950 26 HB3 HIS 4 3HB HIS 4 17.220 -34.937 -8.435 27 HD1 HIS 4 HD1 HIS 4 16.200 -33.407 -10.256 28 HD2 HIS 4 HD2 HIS 4 17.437 -31.360 -6.848 29 HE1 HIS 4 HE1 HIS 4 16.252 -30.984 -10.894 30 HE2 HIS 4 HE2 HIS 4 16.815 -29.767 -8.774 31 H HIS 5 H HIS 5 16.827 -34.370 -4.718 32 HA HIS 5 HA HIS 5 14.728 -32.772 -3.433 33 HB2 HIS 5 2HB HIS 5 17.354 -33.872 -2.311 34 HB3 HIS 5 3HB HIS 5 16.123 -33.031 -1.373 35 HD1 HIS 5 HD1 HIS 5 14.422 -34.496 -0.281 36 HD2 HIS 5 HD2 HIS 5 16.292 -36.420 -3.456 37 HE1 HIS 5 HE1 HIS 5 13.558 -36.851 -0.250 38 HE2 HIS 5 HE2 HIS 5 14.832 -38.028 -2.072 39 H HIS 6 H HIS 6 14.885 -30.639 -3.061 40 HA HIS 6 HA HIS 6 16.941 -29.037 -4.323 41 HB2 HIS 6 2HB HIS 6 14.420 -28.362 -2.744 42 HB3 HIS 6 3HB HIS 6 15.553 -27.110 -3.240 43 HD1 HIS 6 HD1 HIS 6 15.457 -26.303 -5.595 44 HD2 HIS 6 HD2 HIS 6 13.106 -29.672 -4.988 45 HE1 HIS 6 HE1 HIS 6 14.070 -26.537 -7.662 46 HE2 HIS 6 HE2 HIS 6 12.497 -28.427 -7.163 47 H HIS 7 H HIS 7 18.699 -28.221 -3.398 48 HA HIS 7 HA HIS 7 18.936 -27.999 -0.448 49 HB2 HIS 7 2HB HIS 7 21.060 -28.931 -2.438 50 HB3 HIS 7 3HB HIS 7 21.434 -28.445 -0.790 51 HD1 HIS 7 HD1 HIS 7 21.780 -30.420 0.645 52 HD2 HIS 7 HD2 HIS 7 18.883 -31.158 -2.234 53 HE1 HIS 7 HE1 HIS 7 21.046 -32.787 1.012 54 HE2 HIS 7 HE2 HIS 7 19.388 -33.243 -0.815 55 H HIS 8 H HIS 8 19.511 -26.024 0.246 56 HA HIS 8 HA HIS 8 21.062 -24.172 -1.407 57 HB2 HIS 8 2HB HIS 8 19.510 -22.262 -0.981 58 HB3 HIS 8 3HB HIS 8 18.754 -23.511 -1.961 59 HD1 HIS 8 HD1 HIS 8 16.451 -24.063 -1.271 60 HD2 HIS 8 HD2 HIS 8 18.634 -22.562 1.921 61 HE1 HIS 8 HE1 HIS 8 14.833 -23.875 0.634 62 HE2 HIS 8 HE2 HIS 8 16.218 -23.134 2.586 63 H GLU 9 H GLU 9 21.938 -22.404 -0.180 64 HA GLU 9 HA GLU 9 22.619 -23.009 2.582 65 HB2 GLU 9 2HB GLU 9 24.277 -22.081 0.941 66 HB3 GLU 9 3HB GLU 9 23.319 -20.609 0.816 67 HG2 GLU 9 2HG GLU 9 23.754 -20.111 3.192 68 HG3 GLU 9 3HG GLU 9 24.678 -21.605 3.345 69 H ASN 10 H ASN 10 22.361 -21.235 4.265 70 HA ASN 10 HA ASN 10 19.750 -20.658 4.916 71 HB2 ASN 10 2HB ASN 10 22.261 -19.170 5.802 72 HB3 ASN 10 3HB ASN 10 20.689 -19.012 6.583 73 HD21 ASN 10 1HD2 ASN 10 21.549 -19.745 8.551 74 HD22 ASN 10 2HD2 ASN 10 21.935 -21.406 8.832 75 H LEU 11 H LEU 11 18.406 -19.596 3.540 76 HA LEU 11 HA LEU 11 19.112 -17.380 1.888 77 HB2 LEU 11 2HB LEU 11 16.336 -18.319 2.727 78 HB3 LEU 11 3HB LEU 11 16.691 -17.244 1.385 79 HG LEU 11 HG LEU 11 17.542 -20.166 1.545 80 HD11 LEU 11 1HD1 LEU 11 15.826 -20.604 -0.150 81 HD12 LEU 11 2HD1 LEU 11 15.291 -18.924 -0.068 82 HD13 LEU 11 3HD1 LEU 11 15.116 -19.978 1.337 83 HD21 LEU 11 1HD2 LEU 11 19.106 -18.839 0.200 84 HD22 LEU 11 2HD2 LEU 11 17.774 -18.212 -0.771 85 HD23 LEU 11 3HD2 LEU 11 18.170 -19.932 -0.821 86 H TYR 12 H TYR 12 19.708 -15.507 2.805 87 HA TYR 12 HA TYR 12 18.766 -14.625 5.372 88 HB2 TYR 12 2HB TYR 12 20.535 -13.209 3.332 89 HB3 TYR 12 3HB TYR 12 20.228 -12.643 4.974 90 HD1 TYR 12 HD1 TYR 12 20.990 -14.093 6.952 91 HD2 TYR 12 HD2 TYR 12 22.226 -14.894 2.933 92 HE1 TYR 12 HE1 TYR 12 22.828 -15.505 7.787 93 HE2 TYR 12 HE2 TYR 12 24.046 -16.305 3.774 94 HH TYR 12 HH TYR 12 24.189 -17.423 6.919 95 H PHE 13 H PHE 13 16.584 -14.428 5.126 96 HA PHE 13 HA PHE 13 15.196 -12.796 3.263 97 HB2 PHE 13 2HB PHE 13 13.252 -13.114 4.773 98 HB3 PHE 13 3HB PHE 13 14.098 -14.630 4.496 99 HD1 PHE 13 HD1 PHE 13 15.432 -15.693 6.326 100 HD2 PHE 13 HD2 PHE 13 13.203 -12.100 7.013 101 HE1 PHE 13 HE1 PHE 13 15.679 -15.992 8.761 102 HE2 PHE 13 HE2 PHE 13 13.456 -12.412 9.436 103 HZ PHE 13 HZ PHE 13 14.694 -14.351 10.311 104 H GLN 14 H GLN 14 16.748 -12.159 6.312 105 HA GLN 14 HA GLN 14 15.646 -9.677 7.020 106 HB2 GLN 14 2HB GLN 14 17.894 -9.315 8.249 107 HB3 GLN 14 3HB GLN 14 16.926 -10.688 8.733 108 HG2 GLN 14 2HG GLN 14 19.051 -11.200 6.685 109 HG3 GLN 14 3HG GLN 14 19.584 -10.871 8.331 110 HE21 GLN 14 1HE2 GLN 14 19.061 -12.373 9.950 111 HE22 GLN 14 2HE2 GLN 14 18.541 -13.980 9.596 112 H SER 15 H SER 15 15.441 -8.187 5.470 113 HA SER 15 HA SER 15 17.562 -7.577 3.571 114 HB2 SER 15 2HB SER 15 14.810 -6.329 3.892 115 HB3 SER 15 3HB SER 15 15.878 -6.172 2.492 116 HG SER 15 HG SER 15 14.560 -8.495 3.450 117 H HIS 16 H HIS 16 19.104 -6.198 4.058 118 HA HIS 16 HA HIS 16 19.190 -4.484 6.316 119 HB2 HIS 16 2HB HIS 16 21.192 -5.521 5.208 120 HB3 HIS 16 3HB HIS 16 20.978 -4.443 3.834 121 HD1 HIS 16 HD1 HIS 16 21.599 -1.948 4.192 122 HD2 HIS 16 HD2 HIS 16 22.374 -4.378 7.468 123 HE1 HIS 16 HE1 HIS 16 23.038 -0.585 5.716 124 HE2 HIS 16 HE2 HIS 16 23.354 -2.014 7.755 125 H MET 17 H MET 17 18.281 -4.009 2.965 126 HA MET 17 HA MET 17 17.101 -1.393 3.658 127 HB2 MET 17 2HB MET 17 19.180 -0.894 2.395 128 HB3 MET 17 3HB MET 17 18.680 -1.966 1.095 129 HG2 MET 17 2HG MET 17 16.784 -0.477 0.577 130 HG3 MET 17 3HG MET 17 17.239 0.586 1.909 131 HE1 MET 17 1HE MET 17 19.694 -1.240 -0.636 132 HE2 MET 17 2HE MET 17 19.853 0.006 -1.874 133 HE3 MET 17 3HE MET 17 18.309 -0.814 -1.646 134 H THR 18 H THR 18 15.061 -1.196 2.910 135 HA THR 18 HA THR 18 14.014 -2.910 0.758 136 HB THR 18 HB THR 18 12.438 -2.576 3.361 137 HG1 THR 18 HG1 THR 18 13.108 -4.906 3.625 138 HG21 THR 18 1HG2 THR 18 12.178 -4.558 1.057 139 HG22 THR 18 2HG2 THR 18 11.096 -3.200 1.385 140 HG23 THR 18 3HG2 THR 18 11.185 -4.549 2.517 141 H ASP 19 H ASP 19 14.024 0.060 2.569 142 HA ASP 19 HA ASP 19 11.588 1.145 1.400 143 HB2 ASP 19 2HB ASP 19 12.135 1.659 3.755 144 HB3 ASP 19 3HB ASP 19 13.644 2.422 3.270 145 H GLU 20 H GLU 20 12.110 1.138 -0.807 146 HA GLU 20 HA GLU 20 13.373 3.680 -1.619 147 HB2 GLU 20 2HB GLU 20 13.632 1.079 -3.219 148 HB3 GLU 20 3HB GLU 20 14.158 2.667 -3.762 149 HG2 GLU 20 2HG GLU 20 15.865 2.748 -2.002 150 HG3 GLU 20 3HG GLU 20 15.308 1.202 -1.365 151 H LEU 21 H LEU 21 11.518 0.962 -3.091 152 HA LEU 21 HA LEU 21 9.676 2.699 -4.420 153 HB2 LEU 21 2HB LEU 21 8.453 0.646 -5.039 154 HB3 LEU 21 3HB LEU 21 10.165 0.523 -5.369 155 HG LEU 21 HG LEU 21 10.256 -0.834 -3.090 156 HD11 LEU 21 1HD1 LEU 21 7.321 -1.220 -3.761 157 HD12 LEU 21 2HD1 LEU 21 7.973 -0.445 -2.316 158 HD13 LEU 21 3HD1 LEU 21 8.246 -2.162 -2.587 159 HD21 LEU 21 1HD2 LEU 21 10.783 -1.805 -5.283 160 HD22 LEU 21 2HD2 LEU 21 9.069 -2.098 -5.586 161 HD23 LEU 21 3HD2 LEU 21 9.895 -2.953 -4.281 162 H LEU 22 H LEU 22 9.859 1.404 -1.238 163 HA LEU 22 HA LEU 22 7.168 1.585 -0.422 164 HB2 LEU 22 2HB LEU 22 9.665 2.008 1.254 165 HB3 LEU 22 3HB LEU 22 8.045 1.748 1.886 166 HG LEU 22 HG LEU 22 9.711 -0.272 0.346 167 HD11 LEU 22 1HD1 LEU 22 8.856 -0.258 3.258 168 HD12 LEU 22 2HD1 LEU 22 10.457 0.189 2.665 169 HD13 LEU 22 3HD1 LEU 22 9.871 -1.454 2.447 170 HD21 LEU 22 1HD2 LEU 22 7.912 -1.889 0.818 171 HD22 LEU 22 2HD2 LEU 22 7.333 -0.576 -0.203 172 HD23 LEU 22 3HD2 LEU 22 6.917 -0.607 1.514 173 H GLU 23 H GLU 23 9.787 3.987 -0.559 174 HA GLU 23 HA GLU 23 8.540 6.074 0.864 175 HB2 GLU 23 2HB GLU 23 10.984 5.992 0.260 176 HB3 GLU 23 3HB GLU 23 10.552 6.359 -1.409 177 HG2 GLU 23 2HG GLU 23 9.523 8.517 -0.608 178 HG3 GLU 23 3HG GLU 23 10.120 8.152 1.010 179 H ARG 24 H ARG 24 8.347 5.078 -2.526 180 HA ARG 24 HA ARG 24 6.748 7.169 -3.557 181 HB2 ARG 24 2HB ARG 24 6.887 4.228 -4.337 182 HB3 ARG 24 3HB ARG 24 5.987 5.427 -5.255 183 HG2 ARG 24 2HG ARG 24 8.985 5.405 -4.804 184 HG3 ARG 24 3HG ARG 24 8.146 4.986 -6.298 185 HD2 ARG 24 2HD ARG 24 7.237 7.320 -6.383 186 HD3 ARG 24 3HD ARG 24 8.214 7.713 -4.970 187 HE ARG 24 HE ARG 24 10.189 7.129 -6.364 188 HH11 ARG 24 1HH1 ARG 24 7.221 8.191 -7.924 189 HH12 ARG 24 2HH1 ARG 24 8.041 8.782 -9.337 190 HH21 ARG 24 1HH2 ARG 24 11.234 7.889 -8.214 191 HH22 ARG 24 2HH2 ARG 24 10.316 8.607 -9.500 192 H LEU 25 H LEU 25 5.960 4.154 -1.854 193 HA LEU 25 HA LEU 25 3.107 4.359 -2.103 194 HB2 LEU 25 2HB LEU 25 4.812 2.753 -0.147 195 HB3 LEU 25 3HB LEU 25 3.090 2.523 -0.411 196 HG LEU 25 HG LEU 25 5.201 2.108 -2.567 197 HD11 LEU 25 1HD1 LEU 25 5.546 0.477 -0.792 198 HD12 LEU 25 2HD1 LEU 25 4.907 -0.307 -2.235 199 HD13 LEU 25 3HD1 LEU 25 3.847 0.005 -0.857 200 HD21 LEU 25 1HD2 LEU 25 2.997 2.653 -3.484 201 HD22 LEU 25 2HD2 LEU 25 2.254 1.367 -2.531 202 HD23 LEU 25 3HD2 LEU 25 3.403 0.969 -3.809 203 H ARG 26 H ARG 26 5.539 5.525 0.127 204 HA ARG 26 HA ARG 26 3.945 6.226 2.364 205 HB2 ARG 26 2HB ARG 26 6.461 6.036 2.348 206 HB3 ARG 26 3HB ARG 26 6.543 7.515 1.400 207 HG2 ARG 26 2HG ARG 26 5.333 8.661 3.365 208 HG3 ARG 26 3HG ARG 26 5.653 7.188 4.282 209 HD2 ARG 26 2HD ARG 26 7.675 9.096 3.081 210 HD3 ARG 26 3HD ARG 26 7.396 8.775 4.793 211 HE ARG 26 HE ARG 26 8.116 6.344 3.828 212 HH11 ARG 26 1HH1 ARG 26 9.652 9.510 3.558 213 HH12 ARG 26 2HH1 ARG 26 11.251 8.844 3.453 214 HH21 ARG 26 1HH2 ARG 26 10.232 5.507 3.636 215 HH22 ARG 26 2HH2 ARG 26 11.570 6.601 3.497 216 H GLN 27 H GLN 27 5.113 8.078 -0.455 217 HA GLN 27 HA GLN 27 3.908 10.565 0.196 218 HB2 GLN 27 2HB GLN 27 4.640 9.524 -2.575 219 HB3 GLN 27 3HB GLN 27 4.366 11.205 -2.144 220 HG2 GLN 27 2HG GLN 27 6.695 9.445 -1.369 221 HG3 GLN 27 3HG GLN 27 6.723 10.905 -2.343 222 HE21 GLN 27 1HE2 GLN 27 6.684 9.613 0.860 223 HE22 GLN 27 2HE2 GLN 27 6.926 11.103 1.698 224 H LEU 28 H LEU 28 2.833 7.744 -1.620 225 HA LEU 28 HA LEU 28 0.481 8.804 -2.763 226 HB2 LEU 28 2HB LEU 28 1.597 6.707 -3.516 227 HB3 LEU 28 3HB LEU 28 1.124 5.923 -2.015 228 HG LEU 28 HG LEU 28 -1.270 6.134 -2.640 229 HD11 LEU 28 1HD1 LEU 28 -1.927 6.896 -4.889 230 HD12 LEU 28 2HD1 LEU 28 -0.267 7.395 -5.212 231 HD13 LEU 28 3HD1 LEU 28 -1.199 8.189 -3.939 232 HD21 LEU 28 1HD2 LEU 28 -1.298 4.501 -4.484 233 HD22 LEU 28 2HD2 LEU 28 -0.090 4.087 -3.270 234 HD23 LEU 28 3HD2 LEU 28 0.411 4.815 -4.799 235 H PHE 29 H PHE 29 0.972 6.805 0.171 236 HA PHE 29 HA PHE 29 -1.694 6.778 1.078 237 HB2 PHE 29 2HB PHE 29 0.911 6.411 2.614 238 HB3 PHE 29 3HB PHE 29 -0.675 6.156 3.324 239 HD1 PHE 29 HD1 PHE 29 -2.091 4.707 1.127 240 HD2 PHE 29 HD2 PHE 29 1.894 4.258 2.638 241 HE1 PHE 29 HE1 PHE 29 -2.059 2.358 0.403 242 HE2 PHE 29 HE2 PHE 29 1.894 1.912 1.910 243 HZ PHE 29 HZ PHE 29 -0.079 0.963 0.809 244 H GLU 30 H GLU 30 0.976 9.036 1.656 245 HA GLU 30 HA GLU 30 -0.256 10.695 3.586 246 HB2 GLU 30 2HB GLU 30 2.057 10.970 1.678 247 HB3 GLU 30 3HB GLU 30 1.424 12.448 2.381 248 HG2 GLU 30 2HG GLU 30 2.339 10.078 4.030 249 HG3 GLU 30 3HG GLU 30 3.374 11.440 3.608 250 H GLU 31 H GLU 31 -0.345 10.694 0.057 251 HA GLU 31 HA GLU 31 -1.788 13.152 -0.274 252 HB2 GLU 31 2HB GLU 31 -0.310 12.101 -2.016 253 HB3 GLU 31 3HB GLU 31 -1.487 10.805 -2.193 254 HG2 GLU 31 2HG GLU 31 -3.188 12.587 -2.847 255 HG3 GLU 31 3HG GLU 31 -1.846 13.733 -2.892 256 H LEU 32 H LEU 32 -2.660 9.840 0.343 257 HA LEU 32 HA LEU 32 -5.503 10.188 -0.204 258 HB2 LEU 32 2HB LEU 32 -3.966 7.900 1.097 259 HB3 LEU 32 3HB LEU 32 -5.653 7.839 0.611 260 HG LEU 32 HG LEU 32 -3.304 8.193 -1.292 261 HD11 LEU 32 1HD1 LEU 32 -3.773 5.920 -2.094 262 HD12 LEU 32 2HD1 LEU 32 -4.995 5.723 -0.833 263 HD13 LEU 32 3HD1 LEU 32 -3.299 5.936 -0.394 264 HD21 LEU 32 1HD2 LEU 32 -5.270 9.320 -2.144 265 HD22 LEU 32 2HD2 LEU 32 -6.248 7.870 -1.908 266 HD23 LEU 32 3HD2 LEU 32 -4.943 7.873 -3.095 267 H HIS 33 H HIS 33 -3.290 10.263 2.471 268 HA HIS 33 HA HIS 33 -4.921 10.004 4.734 269 HB2 HIS 33 2HB HIS 33 -2.507 9.812 4.866 270 HB3 HIS 33 3HB HIS 33 -2.274 11.430 4.240 271 HD1 HIS 33 HD1 HIS 33 -0.796 12.067 6.191 272 HD2 HIS 33 HD2 HIS 33 -4.620 10.941 7.357 273 HE1 HIS 33 HE1 HIS 33 -1.003 12.755 8.581 274 HE2 HIS 33 HE2 HIS 33 -3.362 12.214 9.211 275 H GLU 34 H GLU 34 -4.109 12.841 2.767 276 HA GLU 34 HA GLU 34 -4.947 14.905 4.449 277 HB2 GLU 34 2HB GLU 34 -5.055 16.315 2.450 278 HB3 GLU 34 3HB GLU 34 -3.665 15.242 2.351 279 HG2 GLU 34 2HG GLU 34 -4.856 13.776 0.798 280 HG3 GLU 34 3HG GLU 34 -6.306 14.765 0.939 281 H ARG 35 H ARG 35 -6.877 12.686 2.539 282 HA ARG 35 HA ARG 35 -9.374 14.120 3.300 283 HB2 ARG 35 2HB ARG 35 -10.395 13.046 1.283 284 HB3 ARG 35 3HB ARG 35 -9.107 14.182 0.910 285 HG2 ARG 35 2HG ARG 35 -7.564 12.125 0.735 286 HG3 ARG 35 3HG ARG 35 -9.042 11.159 0.720 287 HD2 ARG 35 2HD ARG 35 -8.321 13.350 -1.263 288 HD3 ARG 35 3HD ARG 35 -8.232 11.613 -1.561 289 HE ARG 35 HE ARG 35 -10.693 11.566 -1.250 290 HH11 ARG 35 1HH1 ARG 35 -9.197 14.598 -2.216 291 HH12 ARG 35 2HH1 ARG 35 -10.633 15.206 -2.970 292 HH21 ARG 35 1HH2 ARG 35 -12.569 12.368 -2.251 293 HH22 ARG 35 2HH2 ARG 35 -12.547 13.938 -2.989 294 H GLY 36 H GLY 36 -7.503 11.369 3.857 295 HA2 GLY 36 2HA GLY 36 -7.779 9.529 5.179 296 HA3 GLY 36 3HA GLY 36 -9.201 10.320 5.831 297 H THR 37 H THR 37 -8.640 9.257 2.500 298 HA THR 37 HA THR 37 -11.241 8.107 2.245 299 HB THR 37 HB THR 37 -10.204 9.125 0.293 300 HG1 THR 37 HG1 THR 37 -10.117 6.418 -0.464 301 HG21 THR 37 1HG2 THR 37 -8.064 6.975 0.423 302 HG22 THR 37 2HG2 THR 37 -7.824 8.687 0.783 303 HG23 THR 37 3HG2 THR 37 -8.247 8.174 -0.855 304 H GLU 38 H GLU 38 -11.631 5.873 1.437 305 HA GLU 38 HA GLU 38 -10.479 3.906 3.175 306 HB2 GLU 38 2HB GLU 38 -12.024 2.296 1.969 307 HB3 GLU 38 3HB GLU 38 -12.785 3.632 2.811 308 HG2 GLU 38 2HG GLU 38 -13.121 4.806 0.661 309 HG3 GLU 38 3HG GLU 38 -12.377 3.445 -0.181 310 H ILE 39 H ILE 39 -8.444 3.380 2.769 311 HA ILE 39 HA ILE 39 -7.441 2.936 0.046 312 HB ILE 39 HB ILE 39 -5.857 2.799 2.655 313 HG12 ILE 39 2HG1 ILE 39 -6.115 5.245 0.847 314 HG13 ILE 39 3HG1 ILE 39 -6.932 5.067 2.397 315 HG21 ILE 39 1HG2 ILE 39 -4.778 1.721 0.721 316 HG22 ILE 39 2HG2 ILE 39 -3.900 3.175 1.195 317 HG23 ILE 39 3HG2 ILE 39 -4.952 3.206 -0.219 318 HD11 ILE 39 1HD1 ILE 39 -3.946 5.170 1.959 319 HD12 ILE 39 2HD1 ILE 39 -4.746 4.933 3.518 320 HD13 ILE 39 3HD1 ILE 39 -4.970 6.439 2.631 321 H VAL 40 H VAL 40 -7.803 0.919 -0.678 322 HA VAL 40 HA VAL 40 -7.607 -1.406 1.128 323 HB VAL 40 HB VAL 40 -8.656 -1.339 -1.742 324 HG11 VAL 40 1HG1 VAL 40 -8.791 -3.536 0.359 325 HG12 VAL 40 2HG1 VAL 40 -7.799 -3.552 -1.101 326 HG13 VAL 40 3HG1 VAL 40 -9.558 -3.595 -1.230 327 HG21 VAL 40 1HG2 VAL 40 -10.119 -0.000 -0.275 328 HG22 VAL 40 2HG2 VAL 40 -10.248 -1.354 0.851 329 HG23 VAL 40 3HG2 VAL 40 -10.927 -1.491 -0.771 330 H VAL 41 H VAL 41 -5.508 -1.928 1.268 331 HA VAL 41 HA VAL 41 -3.699 -1.803 -1.018 332 HB VAL 41 HB VAL 41 -3.200 -2.460 1.925 333 HG11 VAL 41 1HG1 VAL 41 -1.554 -3.637 0.518 334 HG12 VAL 41 2HG1 VAL 41 -0.788 -2.317 1.406 335 HG13 VAL 41 3HG1 VAL 41 -1.165 -2.125 -0.307 336 HG21 VAL 41 1HG2 VAL 41 -3.804 -0.104 1.547 337 HG22 VAL 41 2HG2 VAL 41 -2.554 0.035 0.308 338 HG23 VAL 41 3HG2 VAL 41 -2.099 -0.238 1.991 339 H GLU 42 H GLU 42 -3.057 -3.551 -2.090 340 HA GLU 42 HA GLU 42 -3.862 -6.253 -1.297 341 HB2 GLU 42 2HB GLU 42 -5.727 -5.233 -2.620 342 HB3 GLU 42 3HB GLU 42 -4.605 -4.914 -3.936 343 HG2 GLU 42 2HG GLU 42 -4.263 -7.336 -4.252 344 HG3 GLU 42 3HG GLU 42 -5.351 -7.672 -2.903 345 H VAL 43 H VAL 43 -1.971 -7.356 -1.431 346 HA VAL 43 HA VAL 43 -0.037 -6.703 -3.596 347 HB VAL 43 HB VAL 43 0.511 -8.249 -1.013 348 HG11 VAL 43 1HG1 VAL 43 2.894 -7.949 -1.565 349 HG12 VAL 43 2HG1 VAL 43 2.451 -7.125 -3.060 350 HG13 VAL 43 3HG1 VAL 43 2.055 -8.830 -2.845 351 HG21 VAL 43 1HG2 VAL 43 -0.051 -5.909 -0.468 352 HG22 VAL 43 2HG2 VAL 43 1.163 -5.338 -1.615 353 HG23 VAL 43 3HG2 VAL 43 1.662 -6.228 -0.174 354 H HIS 44 H HIS 44 0.542 -8.301 -5.027 355 HA HIS 44 HA HIS 44 -0.375 -11.095 -4.637 356 HB2 HIS 44 2HB HIS 44 -0.369 -9.511 -7.261 357 HB3 HIS 44 3HB HIS 44 -0.684 -11.237 -7.136 358 HD1 HIS 44 HD1 HIS 44 -2.986 -11.977 -6.321 359 HD2 HIS 44 HD2 HIS 44 -2.536 -7.853 -6.503 360 HE1 HIS 44 HE1 HIS 44 -5.301 -11.035 -6.166 361 HE2 HIS 44 HE2 HIS 44 -5.013 -8.561 -6.455 362 H ILE 45 H ILE 45 1.539 -12.173 -4.280 363 HA ILE 45 HA ILE 45 3.678 -11.843 -6.284 364 HB ILE 45 HB ILE 45 4.290 -12.107 -3.300 365 HG12 ILE 45 2HG1 ILE 45 4.725 -9.693 -5.120 366 HG13 ILE 45 3HG1 ILE 45 3.488 -9.809 -3.878 367 HG21 ILE 45 1HG2 ILE 45 6.664 -11.812 -3.998 368 HG22 ILE 45 2HG2 ILE 45 6.164 -11.802 -5.689 369 HG23 ILE 45 3HG2 ILE 45 5.950 -13.259 -4.714 370 HD11 ILE 45 1HD1 ILE 45 6.461 -9.832 -3.393 371 HD12 ILE 45 2HD1 ILE 45 5.199 -9.910 -2.161 372 HD13 ILE 45 3HD1 ILE 45 5.369 -8.468 -3.160 373 H ASN 46 H ASN 46 3.845 -13.718 -7.284 374 HA ASN 46 HA ASN 46 4.376 -15.875 -7.740 375 HB2 ASN 46 2HB ASN 46 4.654 -16.248 -4.722 376 HB3 ASN 46 3HB ASN 46 5.172 -17.411 -5.935 377 HD21 ASN 46 1HD2 ASN 46 6.579 -15.762 -3.827 378 HD22 ASN 46 2HD2 ASN 46 7.910 -15.058 -4.668 379 H GLY 47 H GLY 47 1.542 -14.989 -6.478 380 HA2 GLY 47 2HA GLY 47 -0.430 -16.394 -6.977 381 HA3 GLY 47 3HA GLY 47 0.416 -17.739 -6.220 382 H GLU 48 H GLU 48 1.475 -15.658 -4.214 383 HA GLU 48 HA GLU 48 -0.581 -16.028 -2.210 384 HB2 GLU 48 2HB GLU 48 2.069 -14.488 -2.096 385 HB3 GLU 48 3HB GLU 48 1.062 -14.888 -0.712 386 HG2 GLU 48 2HG GLU 48 2.411 -16.928 -2.496 387 HG3 GLU 48 3HG GLU 48 3.051 -16.362 -0.954 388 H ARG 49 H ARG 49 -1.975 -14.461 -1.432 389 HA ARG 49 HA ARG 49 -1.776 -11.737 -2.590 390 HB2 ARG 49 2HB ARG 49 -4.169 -11.583 -2.760 391 HB3 ARG 49 3HB ARG 49 -3.670 -13.066 -3.562 392 HG2 ARG 49 2HG ARG 49 -4.365 -14.347 -1.524 393 HG3 ARG 49 3HG ARG 49 -4.971 -12.842 -0.827 394 HD2 ARG 49 2HD ARG 49 -6.812 -14.091 -1.814 395 HD3 ARG 49 3HD ARG 49 -6.541 -12.620 -2.755 396 HE ARG 49 HE ARG 49 -5.547 -15.300 -3.571 397 HH11 ARG 49 1HH1 ARG 49 -7.076 -12.245 -4.451 398 HH12 ARG 49 2HH1 ARG 49 -7.175 -12.654 -6.135 399 HH21 ARG 49 1HH2 ARG 49 -5.651 -15.794 -5.763 400 HH22 ARG 49 2HH2 ARG 49 -6.363 -14.674 -6.883 401 H ASP 50 H ASP 50 -2.509 -10.055 -1.337 402 HA ASP 50 HA ASP 50 -2.822 -10.419 1.571 403 HB2 ASP 50 2HB ASP 50 -0.465 -9.770 1.124 404 HB3 ASP 50 3HB ASP 50 -1.004 -8.441 0.107 405 H GLU 51 H GLU 51 -4.438 -9.048 2.401 406 HA GLU 51 HA GLU 51 -5.526 -6.893 0.718 407 HB2 GLU 51 2HB GLU 51 -6.825 -8.923 0.132 408 HB3 GLU 51 3HB GLU 51 -7.228 -9.165 1.832 409 HG2 GLU 51 2HG GLU 51 -8.385 -6.924 1.808 410 HG3 GLU 51 3HG GLU 51 -8.098 -6.843 0.070 411 H ILE 52 H ILE 52 -5.688 -5.159 1.965 412 HA ILE 52 HA ILE 52 -6.351 -5.310 4.854 413 HB ILE 52 HB ILE 52 -4.179 -3.434 3.768 414 HG12 ILE 52 2HG1 ILE 52 -3.522 -6.044 5.208 415 HG13 ILE 52 3HG1 ILE 52 -3.508 -5.903 3.455 416 HG21 ILE 52 1HG2 ILE 52 -5.208 -2.772 5.898 417 HG22 ILE 52 2HG2 ILE 52 -3.528 -3.252 6.163 418 HG23 ILE 52 3HG2 ILE 52 -4.837 -4.353 6.594 419 HD11 ILE 52 1HD1 ILE 52 -1.294 -5.703 4.355 420 HD12 ILE 52 2HD1 ILE 52 -1.786 -4.339 5.359 421 HD13 ILE 52 3HD1 ILE 52 -1.789 -4.191 3.597 422 H ARG 53 H ARG 53 -8.067 -3.862 5.170 423 HA ARG 53 HA ARG 53 -8.424 -1.597 3.263 424 HB2 ARG 53 2HB ARG 53 -10.631 -3.038 4.833 425 HB3 ARG 53 3HB ARG 53 -10.850 -1.710 3.706 426 HG2 ARG 53 2HG ARG 53 -11.544 -3.610 2.509 427 HG3 ARG 53 3HG ARG 53 -9.924 -3.283 1.892 428 HD2 ARG 53 2HD ARG 53 -10.303 -5.694 2.264 429 HD3 ARG 53 3HD ARG 53 -9.017 -5.082 3.314 430 HE ARG 53 HE ARG 53 -11.488 -4.941 4.669 431 HH11 ARG 53 1HH1 ARG 53 -9.214 -7.395 3.592 432 HH12 ARG 53 2HH1 ARG 53 -9.661 -8.512 4.841 433 HH21 ARG 53 1HH2 ARG 53 -12.033 -6.403 6.304 434 HH22 ARG 53 2HH2 ARG 53 -11.251 -7.955 6.372 435 H VAL 54 H VAL 54 -8.008 0.322 4.221 436 HA VAL 54 HA VAL 54 -8.648 0.732 7.102 437 HB VAL 54 HB VAL 54 -6.788 2.453 7.151 438 HG11 VAL 54 1HG1 VAL 54 -4.948 0.869 7.447 439 HG12 VAL 54 2HG1 VAL 54 -5.844 -0.375 6.566 440 HG13 VAL 54 3HG1 VAL 54 -6.445 0.217 8.118 441 HG21 VAL 54 1HG2 VAL 54 -6.545 2.865 4.733 442 HG22 VAL 54 2HG2 VAL 54 -5.938 1.227 4.496 443 HG23 VAL 54 3HG2 VAL 54 -4.999 2.388 5.441 444 H ARG 55 H ARG 55 -9.807 2.511 7.598 445 HA ARG 55 HA ARG 55 -10.333 4.613 5.561 446 HB2 ARG 55 2HB ARG 55 -12.309 3.344 7.525 447 HB3 ARG 55 3HB ARG 55 -12.633 4.845 6.661 448 HG2 ARG 55 2HG ARG 55 -12.468 3.662 4.524 449 HG3 ARG 55 3HG ARG 55 -12.131 2.155 5.362 450 HD2 ARG 55 2HD ARG 55 -14.366 2.111 6.302 451 HD3 ARG 55 3HD ARG 55 -14.697 3.742 5.708 452 HE ARG 55 HE ARG 55 -14.379 2.714 3.400 453 HH11 ARG 55 1HH1 ARG 55 -15.743 0.895 6.071 454 HH12 ARG 55 2HH1 ARG 55 -16.661 -0.161 5.040 455 HH21 ARG 55 1HH2 ARG 55 -15.551 1.340 2.058 456 HH22 ARG 55 2HH2 ARG 55 -16.550 0.095 2.753 457 H ASN 56 H ASN 56 -9.995 6.639 6.284 458 HA ASN 56 HA ASN 56 -9.323 8.399 7.533 459 HB2 ASN 56 2HB ASN 56 -11.225 7.102 9.527 460 HB3 ASN 56 3HB ASN 56 -10.486 8.672 9.801 461 HD21 ASN 56 1HD2 ASN 56 -11.715 7.506 6.674 462 HD22 ASN 56 2HD2 ASN 56 -12.969 8.676 6.565 463 H ILE 57 H ILE 57 -7.203 7.257 7.417 464 HA ILE 57 HA ILE 57 -6.160 6.489 10.084 465 HB ILE 57 HB ILE 57 -4.160 5.570 8.606 466 HG12 ILE 57 2HG1 ILE 57 -5.023 4.563 6.401 467 HG13 ILE 57 3HG1 ILE 57 -6.405 5.644 6.522 468 HG21 ILE 57 1HG2 ILE 57 -5.231 3.363 8.511 469 HG22 ILE 57 2HG2 ILE 57 -6.812 4.105 8.761 470 HG23 ILE 57 3HG2 ILE 57 -5.585 4.190 10.029 471 HD11 ILE 57 1HD1 ILE 57 -3.525 6.474 6.294 472 HD12 ILE 57 2HD1 ILE 57 -4.913 7.562 6.337 473 HD13 ILE 57 3HD1 ILE 57 -4.700 6.448 4.986 474 H SER 58 H SER 58 -3.995 7.205 10.629 475 HA SER 58 HA SER 58 -3.500 9.980 9.741 476 HB2 SER 58 2HB SER 58 -2.679 8.597 12.327 477 HB3 SER 58 3HB SER 58 -2.523 10.318 11.960 478 HG SER 58 HG SER 58 -4.864 8.796 12.384 479 H LYS 59 H LYS 59 -0.900 10.378 10.596 480 HA LYS 59 HA LYS 59 0.345 9.543 8.186 481 HB2 LYS 59 2HB LYS 59 2.341 10.886 9.018 482 HB3 LYS 59 3HB LYS 59 0.820 11.747 8.884 483 HG2 LYS 59 2HG LYS 59 1.705 12.558 10.888 484 HG3 LYS 59 3HG LYS 59 0.561 11.328 11.425 485 HD2 LYS 59 2HD LYS 59 2.434 9.727 11.730 486 HD3 LYS 59 3HD LYS 59 3.578 10.956 11.191 487 HE2 LYS 59 2HE LYS 59 3.037 12.341 13.137 488 HE3 LYS 59 3HE LYS 59 1.805 11.180 13.643 489 HZ1 LYS 59 1HZ LYS 59 3.501 9.540 13.994 490 HZ2 LYS 59 2HZ LYS 59 3.898 10.936 14.856 491 HZ3 LYS 59 3HZ LYS 59 4.703 10.578 13.416 492 H GLU 60 H GLU 60 0.766 8.358 11.484 493 HA GLU 60 HA GLU 60 3.050 6.683 10.729 494 HB2 GLU 60 2HB GLU 60 3.152 5.958 13.030 495 HB3 GLU 60 3HB GLU 60 2.984 7.703 13.008 496 HG2 GLU 60 2HG GLU 60 0.663 5.813 13.514 497 HG3 GLU 60 3HG GLU 60 1.659 6.482 14.795 498 H GLU 61 H GLU 61 -0.399 6.413 11.223 499 HA GLU 61 HA GLU 61 -0.630 3.590 11.322 500 HB2 GLU 61 2HB GLU 61 -2.673 5.672 10.441 501 HB3 GLU 61 3HB GLU 61 -3.039 3.974 10.753 502 HG2 GLU 61 2HG GLU 61 -2.276 4.278 13.112 503 HG3 GLU 61 3HG GLU 61 -2.024 5.992 12.786 504 H LEU 62 H LEU 62 -0.741 5.885 8.595 505 HA LEU 62 HA LEU 62 -1.354 3.975 6.597 506 HB2 LEU 62 2HB LEU 62 -0.751 5.690 4.969 507 HB3 LEU 62 3HB LEU 62 -1.786 6.316 6.228 508 HG LEU 62 HG LEU 62 0.441 7.240 7.293 509 HD11 LEU 62 1HD1 LEU 62 1.399 6.979 4.421 510 HD12 LEU 62 2HD1 LEU 62 2.049 6.108 5.806 511 HD13 LEU 62 3HD1 LEU 62 2.211 7.862 5.720 512 HD21 LEU 62 1HD2 LEU 62 -0.703 8.502 4.800 513 HD22 LEU 62 2HD2 LEU 62 0.215 9.323 6.067 514 HD23 LEU 62 3HD2 LEU 62 -1.361 8.630 6.433 515 H LYS 63 H LYS 63 1.605 5.015 8.086 516 HA LYS 63 HA LYS 63 3.515 3.982 6.330 517 HB2 LYS 63 2HB LYS 63 3.543 4.411 9.332 518 HB3 LYS 63 3HB LYS 63 4.942 3.765 8.490 519 HG2 LYS 63 2HG LYS 63 3.674 6.435 7.800 520 HG3 LYS 63 3HG LYS 63 4.998 6.252 8.950 521 HD2 LYS 63 2HD LYS 63 5.085 5.544 5.988 522 HD3 LYS 63 3HD LYS 63 5.867 6.923 6.760 523 HE2 LYS 63 2HE LYS 63 6.548 3.988 7.162 524 HE3 LYS 63 3HE LYS 63 7.542 5.212 6.374 525 HZ1 LYS 63 1HZ LYS 63 7.733 6.361 8.499 526 HZ2 LYS 63 2HZ LYS 63 8.313 4.780 8.601 527 HZ3 LYS 63 3HZ LYS 63 6.805 5.165 9.249 528 H LYS 64 H LYS 64 1.471 2.383 8.732 529 HA LYS 64 HA LYS 64 2.938 -0.052 8.909 530 HB2 LYS 64 2HB LYS 64 -0.046 0.343 9.405 531 HB3 LYS 64 3HB LYS 64 0.944 -0.990 9.988 532 HG2 LYS 64 2HG LYS 64 1.111 1.908 10.844 533 HG3 LYS 64 3HG LYS 64 0.532 0.555 11.810 534 HD2 LYS 64 2HD LYS 64 3.400 0.927 10.841 535 HD3 LYS 64 3HD LYS 64 2.818 1.281 12.466 536 HE2 LYS 64 2HE LYS 64 2.844 -1.469 11.171 537 HE3 LYS 64 3HE LYS 64 3.996 -0.890 12.371 538 HZ1 LYS 64 1HZ LYS 64 2.336 -2.249 13.407 539 HZ2 LYS 64 2HZ LYS 64 1.085 -1.296 12.787 540 HZ3 LYS 64 3HZ LYS 64 2.146 -0.657 13.935 541 H LEU 65 H LEU 65 0.701 1.242 6.570 542 HA LEU 65 HA LEU 65 -0.158 -1.213 5.372 543 HB2 LEU 65 2HB LEU 65 -0.191 1.686 4.465 544 HB3 LEU 65 3HB LEU 65 -0.662 0.418 3.364 545 HG LEU 65 HG LEU 65 -2.654 1.397 4.320 546 HD11 LEU 65 1HD1 LEU 65 -2.228 -1.352 5.527 547 HD12 LEU 65 2HD1 LEU 65 -2.769 -1.001 3.885 548 HD13 LEU 65 3HD1 LEU 65 -3.783 -0.556 5.252 549 HD21 LEU 65 1HD2 LEU 65 -1.650 2.301 6.380 550 HD22 LEU 65 2HD2 LEU 65 -1.638 0.686 7.083 551 HD23 LEU 65 3HD2 LEU 65 -3.169 1.467 6.682 552 H LEU 66 H LEU 66 2.348 1.188 4.395 553 HA LEU 66 HA LEU 66 3.367 -0.419 2.257 554 HB2 LEU 66 2HB LEU 66 5.196 1.192 2.109 555 HB3 LEU 66 3HB LEU 66 3.654 2.003 2.251 556 HG LEU 66 HG LEU 66 4.407 2.046 4.885 557 HD11 LEU 66 1HD1 LEU 66 6.572 0.974 4.545 558 HD12 LEU 66 2HD1 LEU 66 6.774 2.624 5.124 559 HD13 LEU 66 3HD1 LEU 66 7.055 2.247 3.420 560 HD21 LEU 66 1HD2 LEU 66 5.071 4.374 4.592 561 HD22 LEU 66 2HD2 LEU 66 3.652 3.991 3.623 562 HD23 LEU 66 3HD2 LEU 66 5.234 4.130 2.849 563 H GLU 67 H GLU 67 3.958 -0.275 5.678 564 HA GLU 67 HA GLU 67 6.395 -1.806 5.695 565 HB2 GLU 67 2HB GLU 67 4.457 -1.016 7.898 566 HB3 GLU 67 3HB GLU 67 5.853 -2.049 8.206 567 HG2 GLU 67 2HG GLU 67 7.369 -0.271 7.413 568 HG3 GLU 67 3HG GLU 67 5.982 0.764 7.074 569 H ARG 68 H ARG 68 2.988 -2.630 5.633 570 HA ARG 68 HA ARG 68 3.313 -5.441 6.213 571 HB2 ARG 68 2HB ARG 68 1.147 -3.850 4.761 572 HB3 ARG 68 3HB ARG 68 1.044 -5.589 4.973 573 HG2 ARG 68 2HG ARG 68 1.340 -3.791 7.381 574 HG3 ARG 68 3HG ARG 68 -0.230 -4.009 6.614 575 HD2 ARG 68 2HD ARG 68 0.104 -6.512 6.917 576 HD3 ARG 68 3HD ARG 68 1.492 -6.117 7.928 577 HE ARG 68 HE ARG 68 -0.065 -4.920 9.420 578 HH11 ARG 68 1HH1 ARG 68 -1.455 -7.293 7.245 579 HH12 ARG 68 2HH1 ARG 68 -2.855 -7.561 8.231 580 HH21 ARG 68 1HH2 ARG 68 -1.915 -5.317 10.722 581 HH22 ARG 68 2HH2 ARG 68 -3.108 -6.450 10.181 582 H ILE 69 H ILE 69 3.254 -3.429 3.298 583 HA ILE 69 HA ILE 69 3.359 -5.442 1.319 584 HB ILE 69 HB ILE 69 4.351 -2.557 1.154 585 HG12 ILE 69 2HG1 ILE 69 1.641 -3.677 0.305 586 HG13 ILE 69 3HG1 ILE 69 1.921 -2.811 1.808 587 HG21 ILE 69 1HG2 ILE 69 5.277 -3.908 -0.686 588 HG22 ILE 69 2HG2 ILE 69 4.080 -2.768 -1.304 589 HG23 ILE 69 3HG2 ILE 69 3.658 -4.470 -1.106 590 HD11 ILE 69 1HD1 ILE 69 0.927 -1.352 0.182 591 HD12 ILE 69 2HD1 ILE 69 2.210 -1.697 -0.976 592 HD13 ILE 69 3HD1 ILE 69 2.575 -0.824 0.514 593 H ARG 70 H ARG 70 5.894 -3.610 3.029 594 HA ARG 70 HA ARG 70 8.094 -4.393 1.482 595 HB2 ARG 70 2HB ARG 70 9.507 -3.470 3.162 596 HB3 ARG 70 3HB ARG 70 8.057 -2.492 3.113 597 HG2 ARG 70 2HG ARG 70 8.300 -2.601 5.373 598 HG3 ARG 70 3HG ARG 70 7.357 -4.068 5.156 599 HD2 ARG 70 2HD ARG 70 9.537 -5.361 5.141 600 HD3 ARG 70 3HD ARG 70 10.362 -3.856 5.557 601 HE ARG 70 HE ARG 70 8.376 -4.148 7.438 602 HH11 ARG 70 1HH1 ARG 70 11.160 -6.083 6.463 603 HH12 ARG 70 2HH1 ARG 70 11.356 -6.772 8.044 604 HH21 ARG 70 1HH2 ARG 70 8.671 -5.058 9.475 605 HH22 ARG 70 2HH2 ARG 70 9.959 -6.196 9.733 606 H GLU 71 H GLU 71 6.542 -5.893 4.252 607 HA GLU 71 HA GLU 71 8.378 -7.959 4.778 608 HB2 GLU 71 2HB GLU 71 5.345 -7.903 5.172 609 HB3 GLU 71 3HB GLU 71 6.425 -9.105 5.880 610 HG2 GLU 71 2HG GLU 71 7.554 -7.347 7.172 611 HG3 GLU 71 3HG GLU 71 6.539 -6.126 6.429 612 H LYS 72 H LYS 72 5.632 -7.681 2.497 613 HA LYS 72 HA LYS 72 5.571 -10.436 1.737 614 HB2 LYS 72 2HB LYS 72 4.597 -8.061 0.078 615 HB3 LYS 72 3HB LYS 72 4.136 -9.744 -0.139 616 HG2 LYS 72 2HG LYS 72 3.356 -7.858 2.077 617 HG3 LYS 72 3HG LYS 72 2.305 -8.713 0.950 618 HD2 LYS 72 2HD LYS 72 2.978 -10.879 2.068 619 HD3 LYS 72 3HD LYS 72 3.894 -9.932 3.247 620 HE2 LYS 72 2HE LYS 72 0.900 -9.979 2.820 621 HE3 LYS 72 3HE LYS 72 1.795 -10.434 4.268 622 HZ1 LYS 72 1HZ LYS 72 0.869 -8.326 4.665 623 HZ2 LYS 72 2HZ LYS 72 1.368 -7.712 3.180 624 HZ3 LYS 72 3HZ LYS 72 2.511 -8.043 4.386 625 H ILE 73 H ILE 73 7.039 -7.555 0.250 626 HA ILE 73 HA ILE 73 7.999 -8.909 -2.063 627 HB ILE 73 HB ILE 73 9.182 -6.850 -2.663 628 HG12 ILE 73 2HG1 ILE 73 8.463 -5.778 0.112 629 HG13 ILE 73 3HG1 ILE 73 10.081 -6.213 -0.420 630 HG21 ILE 73 1HG2 ILE 73 6.441 -6.223 -1.497 631 HG22 ILE 73 2HG2 ILE 73 6.755 -6.935 -3.081 632 HG23 ILE 73 3HG2 ILE 73 7.273 -5.283 -2.742 633 HD11 ILE 73 1HD1 ILE 73 10.022 -4.405 -2.073 634 HD12 ILE 73 2HD1 ILE 73 9.774 -3.813 -0.432 635 HD13 ILE 73 3HD1 ILE 73 8.402 -3.960 -1.529 636 H GLU 74 H GLU 74 9.419 -8.301 1.132 637 HA GLU 74 HA GLU 74 12.092 -9.066 0.229 638 HB2 GLU 74 2HB GLU 74 12.950 -8.297 2.243 639 HB3 GLU 74 3HB GLU 74 11.616 -7.201 1.937 640 HG2 GLU 74 2HG GLU 74 10.267 -8.256 3.638 641 HG3 GLU 74 3HG GLU 74 11.458 -9.542 3.852 642 H ARG 75 H ARG 75 9.410 -10.626 1.927 643 HA ARG 75 HA ARG 75 10.991 -12.860 2.908 644 HB2 ARG 75 2HB ARG 75 7.972 -12.528 2.640 645 HB3 ARG 75 3HB ARG 75 8.743 -13.937 3.369 646 HG2 ARG 75 2HG ARG 75 9.650 -12.579 5.177 647 HG3 ARG 75 3HG ARG 75 9.076 -11.101 4.398 648 HD2 ARG 75 2HD ARG 75 7.501 -11.568 6.127 649 HD3 ARG 75 3HD ARG 75 6.712 -12.042 4.623 650 HE ARG 75 HE ARG 75 7.924 -13.909 6.578 651 HH11 ARG 75 1HH1 ARG 75 5.494 -13.321 4.096 652 HH12 ARG 75 2HH1 ARG 75 4.736 -14.866 4.322 653 HH21 ARG 75 1HH2 ARG 75 6.905 -15.878 6.888 654 HH22 ARG 75 2HH2 ARG 75 5.540 -16.319 5.913 655 H GLU 76 H GLU 76 8.770 -12.285 0.177 656 HA GLU 76 HA GLU 76 9.077 -14.901 -0.969 657 HB2 GLU 76 2HB GLU 76 8.097 -12.320 -2.274 658 HB3 GLU 76 3HB GLU 76 7.909 -13.936 -2.937 659 HG2 GLU 76 2HG GLU 76 6.613 -12.873 -0.416 660 HG3 GLU 76 3HG GLU 76 5.816 -13.153 -1.961 661 H GLY 77 H GLY 77 10.238 -11.650 -1.907 662 HA2 GLY 77 2HA GLY 77 12.103 -10.882 -2.955 663 HA3 GLY 77 3HA GLY 77 12.916 -12.310 -2.335 664 H SER 78 H SER 78 10.202 -12.551 -4.540 665 HA SER 78 HA SER 78 11.952 -13.779 -6.580 666 HB2 SER 78 2HB SER 78 10.127 -15.189 -5.614 667 HB3 SER 78 3HB SER 78 8.933 -14.023 -6.183 668 HG SER 78 HG SER 78 8.949 -15.339 -7.855 669 H SER 79 H SER 79 10.899 -13.556 -8.883 670 HA SER 79 HA SER 79 10.997 -10.796 -9.625 671 HB2 SER 79 2HB SER 79 10.355 -13.263 -11.301 672 HB3 SER 79 3HB SER 79 10.735 -11.657 -11.940 673 HG SER 79 HG SER 79 12.404 -13.611 -11.050 674 H GLU 80 H GLU 80 8.396 -13.002 -8.937 675 HA GLU 80 HA GLU 80 6.362 -11.740 -10.567 676 HB2 GLU 80 2HB GLU 80 6.318 -14.004 -8.526 677 HB3 GLU 80 3HB GLU 80 4.848 -13.416 -9.278 678 HG2 GLU 80 2HG GLU 80 5.530 -15.388 -10.448 679 HG3 GLU 80 3HG GLU 80 5.820 -14.014 -11.514 680 H VAL 81 H VAL 81 7.010 -9.581 -9.232 681 HA VAL 81 HA VAL 81 5.486 -9.379 -6.702 682 HB VAL 81 HB VAL 81 7.574 -7.494 -7.890 683 HG11 VAL 81 1HG1 VAL 81 6.156 -7.303 -5.204 684 HG12 VAL 81 2HG1 VAL 81 5.952 -6.195 -6.562 685 HG13 VAL 81 3HG1 VAL 81 7.502 -6.285 -5.722 686 HG21 VAL 81 1HG2 VAL 81 8.539 -9.611 -7.087 687 HG22 VAL 81 2HG2 VAL 81 7.757 -9.388 -5.522 688 HG23 VAL 81 3HG2 VAL 81 9.023 -8.272 -6.038 689 H GLU 82 H GLU 82 3.580 -8.329 -6.626 690 HA GLU 82 HA GLU 82 3.013 -6.094 -8.463 691 HB2 GLU 82 2HB GLU 82 1.899 -8.116 -9.409 692 HB3 GLU 82 3HB GLU 82 1.057 -8.372 -7.884 693 HG2 GLU 82 2HG GLU 82 -0.172 -6.251 -8.185 694 HG3 GLU 82 3HG GLU 82 0.709 -5.931 -9.676 695 H VAL 83 H VAL 83 2.422 -4.381 -7.271 696 HA VAL 83 HA VAL 83 1.062 -4.738 -4.657 697 HB VAL 83 HB VAL 83 2.757 -2.349 -5.568 698 HG11 VAL 83 1HG1 VAL 83 2.585 -1.556 -3.228 699 HG12 VAL 83 2HG1 VAL 83 1.528 -2.916 -2.846 700 HG13 VAL 83 3HG1 VAL 83 0.993 -1.683 -3.988 701 HG21 VAL 83 1HG2 VAL 83 3.514 -4.533 -3.594 702 HG22 VAL 83 2HG2 VAL 83 4.469 -3.089 -3.937 703 HG23 VAL 83 3HG2 VAL 83 4.210 -4.298 -5.199 704 H ASN 84 H ASN 84 -0.809 -3.476 -4.312 705 HA ASN 84 HA ASN 84 -1.858 -1.940 -6.599 706 HB2 ASN 84 2HB ASN 84 -2.437 -4.517 -6.658 707 HB3 ASN 84 3HB ASN 84 -3.528 -4.151 -5.326 708 HD21 ASN 84 1HD2 ASN 84 -2.806 -3.616 -8.647 709 HD22 ASN 84 2HD2 ASN 84 -4.371 -3.027 -9.097 710 H VAL 85 H VAL 85 -2.474 -0.046 -5.681 711 HA VAL 85 HA VAL 85 -3.665 -0.076 -2.957 712 HB VAL 85 HB VAL 85 -2.226 2.229 -4.361 713 HG11 VAL 85 1HG1 VAL 85 -3.999 3.059 -2.876 714 HG12 VAL 85 2HG1 VAL 85 -2.418 3.402 -2.169 715 HG13 VAL 85 3HG1 VAL 85 -3.390 2.063 -1.552 716 HG21 VAL 85 1HG2 VAL 85 -1.290 0.501 -2.031 717 HG22 VAL 85 2HG2 VAL 85 -0.430 1.899 -2.684 718 HG23 VAL 85 3HG2 VAL 85 -0.646 0.454 -3.675 719 H HIS 86 H HIS 86 -5.815 -0.027 -3.176 720 HA HIS 86 HA HIS 86 -7.181 1.622 -5.198 721 HB2 HIS 86 2HB HIS 86 -8.441 -0.105 -3.023 722 HB3 HIS 86 3HB HIS 86 -9.230 0.542 -4.450 723 HD1 HIS 86 HD1 HIS 86 -9.210 -0.894 -6.528 724 HD2 HIS 86 HD2 HIS 86 -6.715 -2.363 -3.548 725 HE1 HIS 86 HE1 HIS 86 -8.620 -3.233 -7.209 726 HE2 HIS 86 HE2 HIS 86 -6.902 -3.961 -5.548 727 H SER 87 H SER 87 -8.532 3.367 -4.520 728 HA SER 87 HA SER 87 -9.045 3.890 -1.734 729 HB2 SER 87 2HB SER 87 -7.986 6.196 -1.770 730 HB3 SER 87 3HB SER 87 -6.828 4.865 -1.790 731 HG SER 87 HG SER 87 -6.983 5.179 -4.202 732 H GLY 88 H GLY 88 -11.185 4.093 -2.019 733 HA2 GLY 88 2HA GLY 88 -13.205 5.012 -2.565 734 HA3 GLY 88 3HA GLY 88 -12.335 6.422 -3.159 735 H GLY 89 H GLY 89 -11.616 6.436 -5.374 736 HA2 GLY 89 2HA GLY 89 -12.832 4.424 -7.187 737 HA3 GLY 89 3HA GLY 89 -13.035 6.147 -7.471 738 H GLN 90 H GLN 90 -9.936 5.716 -6.233 739 HA GLN 90 HA GLN 90 -8.742 5.455 -8.950 740 HB2 GLN 90 2HB GLN 90 -7.699 7.021 -6.539 741 HB3 GLN 90 3HB GLN 90 -6.802 6.777 -8.033 742 HG2 GLN 90 2HG GLN 90 -8.581 7.973 -9.280 743 HG3 GLN 90 3HG GLN 90 -9.416 8.272 -7.757 744 HE21 GLN 90 1HE2 GLN 90 -8.572 9.818 -6.324 745 HE22 GLN 90 2HE2 GLN 90 -7.350 10.943 -6.801 746 H THR 91 H THR 91 -7.569 3.698 -9.271 747 HA THR 91 HA THR 91 -6.244 2.308 -7.007 748 HB THR 91 HB THR 91 -7.513 1.070 -9.499 749 HG1 THR 91 HG1 THR 91 -8.990 1.689 -7.817 750 HG21 THR 91 1HG2 THR 91 -5.467 -0.171 -8.848 751 HG22 THR 91 2HG2 THR 91 -6.920 -1.120 -8.521 752 HG23 THR 91 3HG2 THR 91 -6.081 -0.311 -7.198 753 H TRP 92 H TRP 92 -4.096 1.944 -7.271 754 HA TRP 92 HA TRP 92 -2.776 2.576 -9.845 755 HB2 TRP 92 2HB TRP 92 -1.717 2.723 -6.981 756 HB3 TRP 92 3HB TRP 92 -0.744 3.016 -8.421 757 HD1 TRP 92 HD1 TRP 92 -1.115 5.336 -9.712 758 HE1 TRP 92 HE1 TRP 92 -2.244 7.541 -9.036 759 HE3 TRP 92 HE3 TRP 92 -3.688 3.725 -5.598 760 HZ2 TRP 92 HZ2 TRP 92 -3.989 8.485 -7.047 761 HZ3 TRP 92 HZ3 TRP 92 -5.068 5.338 -4.364 762 HH2 TRP 92 HH2 TRP 92 -5.216 7.676 -5.072 763 H THR 93 H THR 93 -2.194 0.791 -10.885 764 HA THR 93 HA THR 93 -1.616 -1.737 -9.509 765 HB THR 93 HB THR 93 -1.517 -2.659 -11.876 766 HG1 THR 93 HG1 THR 93 -1.023 -0.891 -13.112 767 HG21 THR 93 1HG2 THR 93 -3.946 -2.453 -12.362 768 HG22 THR 93 2HG2 THR 93 -4.068 -1.182 -11.143 769 HG23 THR 93 3HG2 THR 93 -3.628 -2.824 -10.668 770 H PHE 94 H PHE 94 0.420 -1.616 -8.664 771 HA PHE 94 HA PHE 94 2.706 -0.663 -10.242 772 HB2 PHE 94 2HB PHE 94 2.649 -1.860 -7.425 773 HB3 PHE 94 3HB PHE 94 4.012 -1.048 -8.187 774 HD1 PHE 94 HD1 PHE 94 3.930 1.431 -8.591 775 HD2 PHE 94 HD2 PHE 94 0.890 -0.584 -6.344 776 HE1 PHE 94 HE1 PHE 94 3.201 3.576 -7.633 777 HE2 PHE 94 HE2 PHE 94 0.172 1.570 -5.395 778 HZ PHE 94 HZ PHE 94 1.328 3.647 -6.038 779 H ASN 95 H ASN 95 3.373 -2.088 -11.723 780 HA ASN 95 HA ASN 95 3.318 -4.996 -11.222 781 HB2 ASN 95 2HB ASN 95 3.676 -3.387 -13.789 782 HB3 ASN 95 3HB ASN 95 3.758 -5.145 -13.709 783 HD21 ASN 95 1HD2 ASN 95 1.820 -6.323 -13.368 784 HD22 ASN 95 2HD2 ASN 95 0.271 -5.590 -13.592 785 H GLU 96 H GLU 96 5.175 -6.233 -11.389 786 HA GLU 96 HA GLU 96 7.703 -5.161 -10.794 787 HB2 GLU 96 2HB GLU 96 8.531 -7.542 -11.381 788 HB3 GLU 96 3HB GLU 96 7.365 -7.378 -10.082 789 HG2 GLU 96 2HG GLU 96 6.537 -9.226 -11.189 790 HG3 GLU 96 3HG GLU 96 5.578 -7.937 -11.907 791 H LYS 97 H LYS 97 9.466 -4.671 -12.018 792 HA LYS 97 HA LYS 97 8.868 -4.001 -14.811 793 HB2 LYS 97 2HB LYS 97 11.125 -2.973 -13.035 794 HB3 LYS 97 3HB LYS 97 10.653 -2.332 -14.602 795 HG2 LYS 97 2HG LYS 97 9.005 -2.232 -12.054 796 HG3 LYS 97 3HG LYS 97 9.871 -0.884 -12.782 797 HD2 LYS 97 2HD LYS 97 7.511 -2.349 -14.030 798 HD3 LYS 97 3HD LYS 97 7.439 -0.779 -13.235 799 HE2 LYS 97 2HE LYS 97 8.908 0.184 -14.954 800 HE3 LYS 97 3HE LYS 97 9.041 -1.392 -15.740 801 HZ1 LYS 97 1HZ LYS 97 7.429 -0.018 -16.855 802 HZ2 LYS 97 2HZ LYS 97 6.560 0.198 -15.425 803 HZ3 LYS 97 3HZ LYS 97 6.650 -1.329 -16.131
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