NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
19282 | 2ekj | 10274 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 23.604 9.584 -1.798 2 HA2 GLY 1 1HA GLY 1 24.088 8.757 -3.892 3 HA3 GLY 1 2HA GLY 1 22.384 8.917 -4.288 4 H SER 2 H SER 2 23.567 9.488 -6.387 5 HA SER 2 HA SER 2 24.803 12.051 -6.579 6 HB2 SER 2 1HB SER 2 25.120 10.090 -8.173 7 HB3 SER 2 2HB SER 2 23.548 10.511 -8.854 8 HG SER 2 HG SER 2 25.681 11.467 -9.719 9 H SER 3 H SER 3 21.683 10.856 -7.836 10 HA SER 3 HA SER 3 20.742 13.584 -8.153 11 HB2 SER 3 1HB SER 3 19.424 10.928 -8.763 12 HB3 SER 3 2HB SER 3 18.719 12.503 -9.124 13 HG SER 3 HG SER 3 21.290 11.841 -10.058 14 H GLY 4 H GLY 4 19.363 14.623 -6.837 15 HA2 GLY 4 1HA GLY 4 17.414 13.484 -5.204 16 HA3 GLY 4 2HA GLY 4 18.870 13.636 -4.231 17 H SER 5 H SER 5 16.050 15.109 -4.950 18 HA SER 5 HA SER 5 17.127 17.749 -4.222 19 HB2 SER 5 1HB SER 5 14.944 17.186 -6.242 20 HB3 SER 5 2HB SER 5 15.373 18.791 -5.651 21 HG SER 5 HG SER 5 17.440 17.225 -6.655 22 H SER 6 H SER 6 15.748 19.070 -2.963 23 HA SER 6 HA SER 6 13.991 17.546 -1.238 24 HB2 SER 6 1HB SER 6 13.847 19.739 0.021 25 HB3 SER 6 2HB SER 6 15.468 19.061 -0.122 26 HG SER 6 HG SER 6 14.334 21.206 -1.581 27 H GLY 7 H GLY 7 12.194 17.092 -2.517 28 HA2 GLY 7 1HA GLY 7 10.241 19.211 -2.632 29 HA3 GLY 7 2HA GLY 7 10.770 18.662 -4.215 30 H ARG 8 H ARG 8 10.996 15.988 -3.951 31 HA ARG 8 HA ARG 8 8.244 15.178 -3.294 32 HB2 ARG 8 1HB ARG 8 10.197 14.045 -5.301 33 HB3 ARG 8 2HB ARG 8 8.648 13.309 -4.912 34 HG2 ARG 8 1HG ARG 8 7.485 15.288 -5.712 35 HG3 ARG 8 2HG ARG 8 9.030 16.065 -6.064 36 HD2 ARG 8 1HD ARG 8 8.322 13.414 -7.269 37 HD3 ARG 8 2HD ARG 8 7.748 14.918 -7.987 38 HE ARG 8 HE ARG 8 10.452 15.255 -7.657 39 HH11 ARG 8 1HH1 ARG 8 8.391 12.998 -9.324 40 HH12 ARG 8 2HH1 ARG 8 9.541 12.675 -10.580 41 HH21 ARG 8 1HH2 ARG 8 11.974 14.839 -9.304 42 HH22 ARG 8 2HH2 ARG 8 11.578 13.723 -10.567 43 H SER 9 H SER 9 8.078 14.056 -1.478 44 HA SER 9 HA SER 9 10.282 12.243 -0.738 45 HB2 SER 9 1HB SER 9 9.799 14.309 0.746 46 HB3 SER 9 2HB SER 9 8.364 13.424 1.260 47 HG SER 9 HG SER 9 9.960 11.651 1.682 48 HA PRO 10 HA PRO 10 7.181 9.102 -1.289 49 HB2 PRO 10 1HB PRO 10 8.744 7.021 -0.514 50 HB3 PRO 10 2HB PRO 10 8.883 7.789 -2.100 51 HG2 PRO 10 1HG PRO 10 10.546 8.199 0.355 52 HG3 PRO 10 2HG PRO 10 11.063 8.043 -1.334 53 HD2 PRO 10 1HD PRO 10 10.864 10.438 -0.086 54 HD3 PRO 10 2HD PRO 10 10.556 10.238 -1.823 55 HA PRO 11 HA PRO 11 5.492 8.427 2.719 56 HB2 PRO 11 1HB PRO 11 4.203 6.068 2.341 57 HB3 PRO 11 2HB PRO 11 3.631 7.595 1.659 58 HG2 PRO 11 1HG PRO 11 5.195 5.404 0.351 59 HG3 PRO 11 2HG PRO 11 3.822 6.330 -0.282 60 HD2 PRO 11 1HD PRO 11 6.385 6.873 -0.966 61 HD3 PRO 11 2HD PRO 11 5.139 8.133 -0.853 62 H SER 12 H SER 12 6.461 7.792 4.532 63 HA SER 12 HA SER 12 7.949 5.247 4.516 64 HB2 SER 12 1HB SER 12 8.587 7.685 6.191 65 HB3 SER 12 2HB SER 12 9.543 6.209 6.060 66 HG SER 12 HG SER 12 9.122 8.217 4.117 67 H ASN 13 H ASN 13 8.386 4.609 6.965 68 HA ASN 13 HA ASN 13 7.519 3.790 8.902 69 HB2 ASN 13 1HB ASN 13 5.606 6.121 8.635 70 HB3 ASN 13 2HB ASN 13 5.810 5.134 10.080 71 HD21 ASN 13 1HD2 ASN 13 7.078 7.680 8.157 72 HD22 ASN 13 2HD2 ASN 13 8.380 8.118 9.204 73 H LEU 14 H LEU 14 6.610 2.777 6.376 74 HA LEU 14 HA LEU 14 3.855 2.395 6.201 75 HB2 LEU 14 1HB LEU 14 6.250 0.932 5.225 76 HB3 LEU 14 2HB LEU 14 4.693 0.110 5.146 77 HG LEU 14 HG LEU 14 5.142 2.822 3.924 78 HD11 LEU 14 1HD1 LEU 14 5.711 0.100 2.801 79 HD12 LEU 14 2HD1 LEU 14 6.726 1.542 2.783 80 HD13 LEU 14 3HD1 LEU 14 5.290 1.463 1.762 81 HD21 LEU 14 3HD2 LEU 14 3.008 0.741 3.862 82 HD22 LEU 14 1HD2 LEU 14 3.258 1.760 2.444 83 HD23 LEU 14 2HD2 LEU 14 2.871 2.494 4.000 84 H ALA 15 H ALA 15 2.426 1.163 7.260 85 HA ALA 15 HA ALA 15 3.427 -0.957 9.033 86 HB1 ALA 15 3HB ALA 15 3.013 1.045 10.389 87 HB2 ALA 15 1HB ALA 15 1.347 1.086 9.809 88 HB3 ALA 15 2HB ALA 15 1.905 -0.265 10.797 89 H LEU 16 H LEU 16 2.609 -2.769 8.205 90 HA LEU 16 HA LEU 16 -0.047 -2.748 6.991 91 HB2 LEU 16 1HB LEU 16 2.331 -4.513 6.859 92 HB3 LEU 16 2HB LEU 16 0.754 -5.264 6.627 93 HG LEU 16 HG LEU 16 0.334 -3.651 4.772 94 HD11 LEU 16 1HD1 LEU 16 2.000 -2.250 3.933 95 HD12 LEU 16 2HD1 LEU 16 3.269 -3.046 4.862 96 HD13 LEU 16 3HD1 LEU 16 2.089 -2.022 5.679 97 HD21 LEU 16 3HD2 LEU 16 1.016 -5.849 4.186 98 HD22 LEU 16 1HD2 LEU 16 2.695 -5.511 4.606 99 HD23 LEU 16 2HD2 LEU 16 1.966 -4.738 3.199 100 H ALA 17 H ALA 17 -1.706 -3.097 8.306 101 HA ALA 17 HA ALA 17 -1.377 -5.035 10.502 102 HB1 ALA 17 3HB ALA 17 -2.058 -2.436 10.772 103 HB2 ALA 17 1HB ALA 17 -3.653 -3.175 10.629 104 HB3 ALA 17 2HB ALA 17 -2.545 -3.706 11.895 105 H SER 18 H SER 18 -2.534 -6.844 10.406 106 HA SER 18 HA SER 18 -4.668 -7.028 8.400 107 HB2 SER 18 1HB SER 18 -2.698 -8.631 8.346 108 HB3 SER 18 2HB SER 18 -3.333 -9.327 9.836 109 HG SER 18 HG SER 18 -5.389 -9.361 8.390 110 H GLU 19 H GLU 19 -6.666 -6.799 9.136 111 HA GLU 19 HA GLU 19 -7.267 -7.616 11.895 112 HB2 GLU 19 1HB GLU 19 -9.063 -5.921 10.184 113 HB3 GLU 19 2HB GLU 19 -9.002 -6.035 11.937 114 HG2 GLU 19 1HG GLU 19 -7.010 -4.700 10.125 115 HG3 GLU 19 2HG GLU 19 -8.092 -3.932 11.286 116 H THR 20 H THR 20 -7.875 -8.336 8.602 117 HA THR 20 HA THR 20 -9.594 -10.546 9.380 118 HB THR 20 HB THR 20 -11.427 -9.267 8.920 119 HG1 THR 20 1HG THR 20 -11.243 -9.480 6.223 120 HG21 THR 20 3HG2 THR 20 -9.818 -7.748 6.864 121 HG22 THR 20 1HG2 THR 20 -10.191 -7.201 8.499 122 HG23 THR 20 2HG2 THR 20 -11.486 -7.406 7.319 123 HA PRO 21 HA PRO 21 -7.313 -12.593 6.224 124 HB2 PRO 21 1HB PRO 21 -9.020 -14.632 5.677 125 HB3 PRO 21 2HB PRO 21 -8.058 -14.555 7.158 126 HG2 PRO 21 1HG PRO 21 -10.929 -13.826 6.723 127 HG3 PRO 21 2HG PRO 21 -10.192 -14.717 8.068 128 HD2 PRO 21 1HD PRO 21 -10.845 -12.095 8.242 129 HD3 PRO 21 2HD PRO 21 -9.462 -12.794 9.108 130 H ASP 22 H ASP 22 -9.985 -10.771 5.633 131 HA ASP 22 HA ASP 22 -9.975 -11.414 2.756 132 HB2 ASP 22 1HB ASP 22 -12.218 -9.874 3.990 133 HB3 ASP 22 2HB ASP 22 -12.233 -10.958 2.602 134 H SER 23 H SER 23 -9.079 -9.162 5.068 135 HA SER 23 HA SER 23 -8.490 -7.197 3.006 136 HB2 SER 23 1HB SER 23 -9.802 -6.201 5.520 137 HB3 SER 23 2HB SER 23 -9.622 -5.388 3.965 138 HG SER 23 HG SER 23 -11.100 -6.993 3.124 139 H LEU 24 H LEU 24 -6.902 -5.632 3.661 140 HA LEU 24 HA LEU 24 -5.500 -6.235 6.165 141 HB2 LEU 24 1HB LEU 24 -4.465 -7.469 4.247 142 HB3 LEU 24 2HB LEU 24 -4.098 -5.906 3.519 143 HG LEU 24 HG LEU 24 -2.891 -5.534 5.859 144 HD11 LEU 24 1HD1 LEU 24 -2.491 -8.482 5.448 145 HD12 LEU 24 2HD1 LEU 24 -3.672 -7.839 6.587 146 HD13 LEU 24 3HD1 LEU 24 -1.959 -7.476 6.796 147 HD21 LEU 24 3HD2 LEU 24 -0.907 -5.794 4.731 148 HD22 LEU 24 1HD2 LEU 24 -2.043 -5.675 3.387 149 HD23 LEU 24 2HD2 LEU 24 -1.444 -7.253 3.898 150 H GLN 25 H GLN 25 -5.277 -4.423 7.280 151 HA GLN 25 HA GLN 25 -5.668 -1.853 6.081 152 HB2 GLN 25 1HB GLN 25 -6.187 -2.731 8.522 153 HB3 GLN 25 2HB GLN 25 -4.557 -2.149 8.835 154 HG2 GLN 25 1HG GLN 25 -5.837 -0.325 9.387 155 HG3 GLN 25 2HG GLN 25 -5.387 0.033 7.720 156 HE21 GLN 25 1HE2 GLN 25 -7.862 -2.068 9.145 157 HE22 GLN 25 2HE2 GLN 25 -9.196 -1.347 8.316 158 H VAL 26 H VAL 26 -4.197 -0.228 5.725 159 HA VAL 26 HA VAL 26 -1.397 -0.637 6.388 160 HB VAL 26 HB VAL 26 -1.401 -1.756 4.292 161 HG11 VAL 26 1HG1 VAL 26 -3.041 0.567 3.307 162 HG12 VAL 26 2HG1 VAL 26 -2.261 -0.589 2.226 163 HG13 VAL 26 3HG1 VAL 26 -3.492 -1.136 3.364 164 HG21 VAL 26 3HG2 VAL 26 -0.469 1.086 3.901 165 HG22 VAL 26 1HG2 VAL 26 0.463 -0.240 4.597 166 HG23 VAL 26 2HG2 VAL 26 0.000 -0.284 2.896 167 H SER 27 H SER 27 -0.460 1.235 6.910 168 HA SER 27 HA SER 27 -1.595 3.731 5.850 169 HB2 SER 27 1HB SER 27 -2.436 3.289 8.169 170 HB3 SER 27 2HB SER 27 -0.766 3.338 8.734 171 HG SER 27 HG SER 27 -1.998 5.358 8.880 172 H TRP 28 H TRP 28 -0.021 5.601 6.805 173 HA TRP 28 HA TRP 28 2.724 5.006 7.029 174 HB2 TRP 28 1HB TRP 28 3.448 5.915 4.799 175 HB3 TRP 28 2HB TRP 28 2.657 4.343 4.727 176 HD1 TRP 28 HD TRP 28 1.944 8.058 3.974 177 HE1 TRP 28 1HE TRP 28 0.068 8.176 2.216 178 HE3 TRP 28 3HE TRP 28 0.774 3.089 3.702 179 HZ2 TRP 28 2HZ TRP 28 -1.678 6.398 0.890 180 HZ3 TRP 28 3HZ TRP 28 -1.012 2.380 2.165 181 HH2 TRP 28 HH TRP 28 -2.212 4.002 0.789 182 H THR 29 H THR 29 4.088 7.022 6.743 183 HA THR 29 HA THR 29 2.589 9.280 7.830 184 HB THR 29 HB THR 29 5.562 8.754 7.683 185 HG1 THR 29 1HG THR 29 3.681 8.766 9.826 186 HG21 THR 29 3HG2 THR 29 5.137 11.149 7.514 187 HG22 THR 29 1HG2 THR 29 5.805 10.752 9.097 188 HG23 THR 29 2HG2 THR 29 4.080 11.076 8.924 189 HA PRO 30 HA PRO 30 2.783 11.044 3.695 190 HB2 PRO 30 1HB PRO 30 1.109 13.108 4.252 191 HB3 PRO 30 2HB PRO 30 0.535 11.472 3.904 192 HG2 PRO 30 1HG PRO 30 0.906 12.828 6.547 193 HG3 PRO 30 2HG PRO 30 -0.432 11.806 5.992 194 HD2 PRO 30 1HD PRO 30 1.541 10.877 7.597 195 HD3 PRO 30 2HD PRO 30 0.723 9.854 6.399 196 HA PRO 31 HA PRO 31 5.913 14.084 4.422 197 HB2 PRO 31 1HB PRO 31 5.981 15.162 1.931 198 HB3 PRO 31 2HB PRO 31 6.670 13.579 2.312 199 HG2 PRO 31 1HG PRO 31 4.032 14.247 1.064 200 HG3 PRO 31 2HG PRO 31 5.192 12.982 0.619 201 HD2 PRO 31 1HD PRO 31 2.966 12.471 2.074 202 HD3 PRO 31 2HD PRO 31 4.477 11.563 2.288 203 H LEU 32 H LEU 32 6.237 16.516 3.720 204 HA LEU 32 HA LEU 32 3.926 17.936 4.751 205 HB2 LEU 32 1HB LEU 32 5.358 19.759 5.100 206 HB3 LEU 32 2HB LEU 32 6.310 18.330 5.494 207 HG LEU 32 HG LEU 32 6.519 19.550 2.772 208 HD11 LEU 32 1HD1 LEU 32 6.852 21.165 4.893 209 HD12 LEU 32 2HD1 LEU 32 7.796 21.295 3.409 210 HD13 LEU 32 3HD1 LEU 32 8.459 20.444 4.804 211 HD21 LEU 32 3HD2 LEU 32 7.994 17.900 2.589 212 HD22 LEU 32 1HD2 LEU 32 7.830 17.492 4.297 213 HD23 LEU 32 2HD2 LEU 32 8.988 18.722 3.792 214 H GLY 33 H GLY 33 5.635 17.515 1.739 215 HA2 GLY 33 1HA GLY 33 4.565 19.759 0.373 216 HA3 GLY 33 2HA GLY 33 5.257 18.329 -0.377 217 H ARG 34 H ARG 34 2.992 19.781 -1.321 218 HA ARG 34 HA ARG 34 0.586 18.432 -0.601 219 HB2 ARG 34 1HB ARG 34 0.577 20.703 -1.533 220 HB3 ARG 34 2HB ARG 34 1.228 20.088 -3.047 221 HG2 ARG 34 1HG ARG 34 -1.315 18.934 -2.028 222 HG3 ARG 34 2HG ARG 34 -1.340 20.548 -2.742 223 HD2 ARG 34 1HD ARG 34 0.070 18.365 -4.194 224 HD3 ARG 34 2HD ARG 34 -1.693 18.387 -4.211 225 HE ARG 34 HE ARG 34 0.031 20.078 -5.689 226 HH11 ARG 34 1HH1 ARG 34 -2.983 20.076 -3.945 227 HH12 ARG 34 2HH1 ARG 34 -3.669 21.370 -4.870 228 HH21 ARG 34 1HH2 ARG 34 -0.862 21.783 -6.914 229 HH22 ARG 34 2HH2 ARG 34 -2.462 22.340 -6.559 230 H VAL 35 H VAL 35 -0.038 16.468 -1.184 231 HA VAL 35 HA VAL 35 1.199 15.243 -3.560 232 HB VAL 35 HB VAL 35 0.096 13.993 -1.048 233 HG11 VAL 35 1HG1 VAL 35 -0.539 12.246 -2.276 234 HG12 VAL 35 2HG1 VAL 35 0.219 12.900 -3.730 235 HG13 VAL 35 3HG1 VAL 35 1.173 11.957 -2.585 236 HG21 VAL 35 3HG2 VAL 35 2.394 12.976 -1.013 237 HG22 VAL 35 1HG2 VAL 35 2.814 14.053 -2.345 238 HG23 VAL 35 2HG2 VAL 35 2.347 14.724 -0.782 239 H LEU 36 H LEU 36 -0.052 14.854 -5.259 240 HA LEU 36 HA LEU 36 -2.779 15.541 -5.338 241 HB2 LEU 36 1HB LEU 36 -1.277 13.761 -7.251 242 HB3 LEU 36 2HB LEU 36 -2.780 14.624 -7.575 243 HG LEU 36 HG LEU 36 -0.130 15.955 -7.021 244 HD11 LEU 36 1HD1 LEU 36 -1.533 15.609 -9.664 245 HD12 LEU 36 2HD1 LEU 36 -0.163 14.636 -9.129 246 HD13 LEU 36 3HD1 LEU 36 0.031 16.372 -9.372 247 HD21 LEU 36 3HD2 LEU 36 -1.705 17.542 -6.479 248 HD22 LEU 36 1HD2 LEU 36 -2.884 16.924 -7.637 249 HD23 LEU 36 2HD2 LEU 36 -1.491 17.845 -8.204 250 H HIS 37 H HIS 37 -1.321 12.306 -5.740 251 HA HIS 37 HA HIS 37 -3.464 11.144 -4.153 252 HB2 HIS 37 1HB HIS 37 -3.835 9.394 -5.974 253 HB3 HIS 37 2HB HIS 37 -4.523 10.989 -6.263 254 HD1 HIS 37 1HD HIS 37 -2.444 8.471 -7.805 255 HD2 HIS 37 2HD HIS 37 -2.811 12.601 -8.059 256 HE1 HIS 37 1HE HIS 37 -1.317 9.115 -9.959 257 HE2 HIS 37 2HE HIS 37 -1.477 11.627 -10.049 258 H TYR 38 H TYR 38 -3.101 8.701 -3.948 259 HA TYR 38 HA TYR 38 -0.202 8.202 -3.757 260 HB2 TYR 38 1HB TYR 38 -2.460 7.334 -1.953 261 HB3 TYR 38 2HB TYR 38 -0.852 6.621 -1.878 262 HD1 TYR 38 2HD TYR 38 0.870 8.977 -2.247 263 HD2 TYR 38 1HD TYR 38 -2.693 8.522 0.035 264 HE1 TYR 38 2HE TYR 38 1.605 10.784 -0.750 265 HE2 TYR 38 1HE TYR 38 -1.968 10.330 1.538 266 HH TYR 38 HH TYR 38 1.224 11.636 1.435 267 H TRP 39 H TRP 39 0.270 6.990 -5.498 268 HA TRP 39 HA TRP 39 -1.517 5.035 -6.575 269 HB2 TRP 39 1HB TRP 39 0.232 6.344 -7.870 270 HB3 TRP 39 2HB TRP 39 1.437 5.279 -7.150 271 HD1 TRP 39 HD TRP 39 2.097 3.395 -8.733 272 HE1 TRP 39 1HE TRP 39 0.927 2.012 -10.562 273 HE3 TRP 39 3HE TRP 39 -2.557 5.499 -8.492 274 HZ2 TRP 39 2HZ TRP 39 -1.629 1.836 -11.746 275 HZ3 TRP 39 3HZ TRP 39 -4.307 4.667 -10.007 276 HH2 TRP 39 HH TRP 39 -3.851 2.873 -11.600 277 H LEU 40 H LEU 40 -1.982 3.376 -5.227 278 HA LEU 40 HA LEU 40 0.185 2.012 -3.824 279 HB2 LEU 40 1HB LEU 40 -2.207 2.661 -2.917 280 HB3 LEU 40 2HB LEU 40 -2.652 1.126 -3.660 281 HG LEU 40 HG LEU 40 -0.344 1.179 -1.776 282 HD11 LEU 40 1HD1 LEU 40 -2.156 0.642 0.009 283 HD12 LEU 40 2HD1 LEU 40 -3.211 1.583 -1.045 284 HD13 LEU 40 3HD1 LEU 40 -1.761 2.321 -0.362 285 HD21 LEU 40 3HD2 LEU 40 -0.546 -1.016 -2.020 286 HD22 LEU 40 1HD2 LEU 40 -1.879 -0.760 -3.146 287 HD23 LEU 40 2HD2 LEU 40 -2.205 -0.951 -1.423 288 H THR 41 H THR 41 0.919 0.027 -4.335 289 HA THR 41 HA THR 41 -0.511 -1.517 -6.384 290 HB THR 41 HB THR 41 1.808 -2.136 -7.301 291 HG1 THR 41 1HG THR 41 3.462 -1.077 -6.518 292 HG21 THR 41 3HG2 THR 41 -0.027 -0.195 -8.015 293 HG22 THR 41 1HG2 THR 41 1.306 -0.779 -9.010 294 HG23 THR 41 2HG2 THR 41 1.511 0.668 -8.023 295 H TYR 42 H TYR 42 -1.204 -2.961 -4.788 296 HA TYR 42 HA TYR 42 0.816 -4.351 -3.209 297 HB2 TYR 42 1HB TYR 42 -0.989 -5.272 -1.954 298 HB3 TYR 42 2HB TYR 42 -1.382 -3.579 -2.227 299 HD1 TYR 42 1HD TYR 42 -3.207 -2.946 -3.707 300 HD2 TYR 42 2HD TYR 42 -2.266 -7.039 -3.022 301 HE1 TYR 42 1HE TYR 42 -5.371 -3.600 -4.676 302 HE2 TYR 42 2HE TYR 42 -4.427 -7.704 -3.990 303 HH TYR 42 HH TYR 42 -6.352 -5.636 -5.786 304 H ALA 43 H ALA 43 0.943 -6.670 -3.173 305 HA ALA 43 HA ALA 43 -0.359 -8.323 -5.059 306 HB1 ALA 43 3HB ALA 43 1.938 -6.880 -6.032 307 HB2 ALA 43 1HB ALA 43 2.215 -8.621 -6.088 308 HB3 ALA 43 2HB ALA 43 0.814 -7.923 -6.903 309 HA PRO 44 HA PRO 44 1.328 -11.546 -2.605 310 HB2 PRO 44 1HB PRO 44 1.935 -13.497 -4.392 311 HB3 PRO 44 2HB PRO 44 0.274 -13.065 -3.969 312 HG2 PRO 44 1HG PRO 44 1.897 -12.250 -6.350 313 HG3 PRO 44 2HG PRO 44 0.200 -12.758 -6.273 314 HD2 PRO 44 1HD PRO 44 0.936 -10.158 -6.441 315 HD3 PRO 44 2HD PRO 44 -0.521 -10.683 -5.573 316 H ALA 45 H ALA 45 3.223 -10.674 -1.760 317 HA ALA 45 HA ALA 45 5.602 -10.063 -2.811 318 HB1 ALA 45 3HB ALA 45 5.975 -9.868 -0.628 319 HB2 ALA 45 1HB ALA 45 4.732 -11.059 -0.244 320 HB3 ALA 45 2HB ALA 45 6.375 -11.585 -0.615 321 H SER 46 H SER 46 4.549 -13.385 -2.138 322 HA SER 46 HA SER 46 6.758 -14.856 -2.657 323 HB2 SER 46 1HB SER 46 5.223 -16.578 -3.677 324 HB3 SER 46 2HB SER 46 4.696 -15.959 -2.112 325 HG SER 46 HG SER 46 3.343 -14.481 -3.337 326 H GLY 47 H GLY 47 4.573 -13.540 -5.141 327 HA2 GLY 47 1HA GLY 47 5.286 -12.668 -7.215 328 HA3 GLY 47 2HA GLY 47 6.819 -13.503 -7.014 329 H LEU 48 H LEU 48 3.391 -14.492 -7.103 330 HA LEU 48 HA LEU 48 4.134 -16.468 -9.159 331 HB2 LEU 48 1HB LEU 48 2.129 -16.733 -6.926 332 HB3 LEU 48 2HB LEU 48 2.310 -17.889 -8.244 333 HG LEU 48 HG LEU 48 4.615 -17.243 -6.437 334 HD11 LEU 48 1HD1 LEU 48 3.708 -18.269 -4.696 335 HD12 LEU 48 2HD1 LEU 48 3.334 -19.681 -5.683 336 HD13 LEU 48 3HD1 LEU 48 2.177 -18.355 -5.567 337 HD21 LEU 48 3HD2 LEU 48 4.137 -19.940 -7.513 338 HD22 LEU 48 1HD2 LEU 48 5.627 -19.003 -7.409 339 HD23 LEU 48 2HD2 LEU 48 4.479 -18.692 -8.711 340 H GLY 49 H GLY 49 1.578 -14.376 -7.886 341 HA2 GLY 49 1HA GLY 49 0.071 -14.701 -10.383 342 HA3 GLY 49 2HA GLY 49 -0.529 -13.962 -8.906 343 HA PRO 50 HA PRO 50 0.745 -10.689 -12.027 344 HB2 PRO 50 1HB PRO 50 -1.697 -9.525 -12.250 345 HB3 PRO 50 2HB PRO 50 -1.175 -10.866 -13.276 346 HG2 PRO 50 1HG PRO 50 -2.912 -10.912 -10.839 347 HG3 PRO 50 2HG PRO 50 -3.114 -11.779 -12.373 348 HD2 PRO 50 1HD PRO 50 -2.106 -12.960 -10.154 349 HD3 PRO 50 2HD PRO 50 -1.597 -13.415 -11.793 350 H GLU 51 H GLU 51 0.349 -8.269 -11.754 351 HA GLU 51 HA GLU 51 0.439 -7.654 -8.886 352 HB2 GLU 51 1HB GLU 51 2.356 -7.059 -10.483 353 HB3 GLU 51 2HB GLU 51 1.286 -5.816 -11.115 354 HG2 GLU 51 1HG GLU 51 1.354 -4.577 -9.178 355 HG3 GLU 51 2HG GLU 51 1.799 -5.963 -8.183 356 H LYS 52 H LYS 52 -0.922 -6.213 -7.946 357 HA LYS 52 HA LYS 52 -3.115 -5.201 -9.625 358 HB2 LYS 52 1HB LYS 52 -2.992 -5.826 -6.673 359 HB3 LYS 52 2HB LYS 52 -4.353 -5.015 -7.437 360 HG2 LYS 52 1HG LYS 52 -3.369 -7.720 -8.302 361 HG3 LYS 52 2HG LYS 52 -4.605 -7.490 -7.062 362 HD2 LYS 52 1HD LYS 52 -6.023 -6.329 -8.654 363 HD3 LYS 52 2HD LYS 52 -4.773 -6.458 -9.894 364 HE2 LYS 52 1HE LYS 52 -6.198 -8.209 -10.420 365 HE3 LYS 52 2HE LYS 52 -4.946 -9.002 -9.465 366 HZ1 LYS 52 3HZ LYS 52 -7.742 -8.694 -8.910 367 HZ2 LYS 52 1HZ LYS 52 -6.768 -8.222 -7.609 368 HZ3 LYS 52 2HZ LYS 52 -6.624 -9.780 -8.252 369 H SER 53 H SER 53 -4.197 -3.226 -8.288 370 HA SER 53 HA SER 53 -2.405 -1.403 -7.057 371 HB2 SER 53 1HB SER 53 -2.121 0.225 -8.794 372 HB3 SER 53 2HB SER 53 -1.615 -1.329 -9.456 373 HG SER 53 HG SER 53 -3.343 -1.373 -10.731 374 H VAL 54 H VAL 54 -3.508 0.179 -6.023 375 HA VAL 54 HA VAL 54 -6.297 0.675 -6.803 376 HB VAL 54 HB VAL 54 -7.040 0.608 -4.495 377 HG11 VAL 54 1HG1 VAL 54 -5.665 -1.814 -5.590 378 HG12 VAL 54 2HG1 VAL 54 -6.498 -1.883 -4.035 379 HG13 VAL 54 3HG1 VAL 54 -7.389 -1.454 -5.496 380 HG21 VAL 54 3HG2 VAL 54 -5.576 -0.173 -2.697 381 HG22 VAL 54 1HG2 VAL 54 -4.222 -0.238 -3.825 382 HG23 VAL 54 2HG2 VAL 54 -4.961 1.312 -3.422 383 H SER 55 H SER 55 -6.888 2.763 -6.751 384 HA SER 55 HA SER 55 -4.885 4.745 -6.169 385 HB2 SER 55 1HB SER 55 -6.462 4.930 -8.097 386 HB3 SER 55 2HB SER 55 -7.782 5.155 -6.949 387 HG SER 55 HG SER 55 -7.059 7.116 -6.469 388 H VAL 56 H VAL 56 -5.125 6.500 -4.700 389 HA VAL 56 HA VAL 56 -7.162 6.273 -2.631 390 HB VAL 56 HB VAL 56 -4.211 6.151 -1.993 391 HG11 VAL 56 1HG1 VAL 56 -4.708 6.401 0.262 392 HG12 VAL 56 2HG1 VAL 56 -5.773 7.579 -0.507 393 HG13 VAL 56 3HG1 VAL 56 -6.415 6.027 0.030 394 HG21 VAL 56 3HG2 VAL 56 -5.179 4.009 -2.704 395 HG22 VAL 56 1HG2 VAL 56 -4.725 3.991 -1.000 396 HG23 VAL 56 2HG2 VAL 56 -6.419 4.163 -1.459 397 HA PRO 57 HA PRO 57 -6.912 10.667 -2.943 398 HB2 PRO 57 1HB PRO 57 -8.276 11.295 -0.682 399 HB3 PRO 57 2HB PRO 57 -9.065 10.686 -2.142 400 HG2 PRO 57 1HG PRO 57 -8.292 9.214 0.347 401 HG3 PRO 57 2HG PRO 57 -9.786 9.101 -0.601 402 HD2 PRO 57 1HD PRO 57 -7.791 7.282 -0.805 403 HD3 PRO 57 2HD PRO 57 -8.831 7.717 -2.176 404 H GLY 58 H GLY 58 -4.895 11.459 -2.637 405 HA2 GLY 58 1HA GLY 58 -3.052 11.064 -0.722 406 HA3 GLY 58 2HA GLY 58 -3.287 12.644 -1.456 407 H ALA 59 H ALA 59 -5.991 12.906 -0.302 408 HA ALA 59 HA ALA 59 -5.496 14.439 1.899 409 HB1 ALA 59 3HB ALA 59 -7.747 14.604 2.151 410 HB2 ALA 59 1HB ALA 59 -7.714 13.863 0.550 411 HB3 ALA 59 2HB ALA 59 -8.007 12.868 1.977 412 H ARG 60 H ARG 60 -6.195 10.963 1.858 413 HA ARG 60 HA ARG 60 -5.613 10.837 4.732 414 HB2 ARG 60 1HB ARG 60 -6.631 8.619 4.677 415 HB3 ARG 60 2HB ARG 60 -7.724 9.820 4.001 416 HG2 ARG 60 1HG ARG 60 -6.813 9.100 1.723 417 HG3 ARG 60 2HG ARG 60 -6.158 7.701 2.577 418 HD2 ARG 60 1HD ARG 60 -9.034 8.442 2.911 419 HD3 ARG 60 2HD ARG 60 -8.514 7.572 1.468 420 HE ARG 60 HE ARG 60 -7.493 6.246 3.706 421 HH11 ARG 60 1HH1 ARG 60 -10.560 6.940 2.212 422 HH12 ARG 60 2HH1 ARG 60 -11.324 5.505 2.810 423 HH21 ARG 60 1HH2 ARG 60 -8.488 4.353 4.500 424 HH22 ARG 60 2HH2 ARG 60 -10.145 4.035 4.112 425 H SER 61 H SER 61 -4.138 9.293 5.555 426 HA SER 61 HA SER 61 -2.071 8.511 3.610 427 HB2 SER 61 1HB SER 61 -0.559 8.450 5.643 428 HB3 SER 61 2HB SER 61 -1.153 10.048 5.193 429 HG SER 61 HG SER 61 -2.663 8.571 7.013 430 H HIS 62 H HIS 62 -4.400 6.928 4.060 431 HA HIS 62 HA HIS 62 -3.129 4.426 4.681 432 HB2 HIS 62 1HB HIS 62 -4.829 3.785 6.410 433 HB3 HIS 62 2HB HIS 62 -3.696 5.025 6.936 434 HD1 HIS 62 1HD HIS 62 -7.230 4.297 6.753 435 HD2 HIS 62 2HD HIS 62 -4.887 7.727 6.772 436 HE1 HIS 62 1HE HIS 62 -8.792 6.175 7.353 437 HE2 HIS 62 2HE HIS 62 -7.369 8.252 7.275 438 H VAL 63 H VAL 63 -4.580 2.573 4.276 439 HA VAL 63 HA VAL 63 -7.121 2.940 3.059 440 HB VAL 63 HB VAL 63 -5.612 3.809 1.250 441 HG11 VAL 63 1HG1 VAL 63 -3.831 2.673 0.560 442 HG12 VAL 63 2HG1 VAL 63 -4.123 1.525 1.868 443 HG13 VAL 63 3HG1 VAL 63 -4.800 1.230 0.266 444 HG21 VAL 63 3HG2 VAL 63 -7.582 1.631 0.989 445 HG22 VAL 63 1HG2 VAL 63 -7.567 3.243 0.273 446 HG23 VAL 63 2HG2 VAL 63 -6.597 1.953 -0.438 447 H THR 64 H THR 64 -8.176 0.996 2.669 448 HA THR 64 HA THR 64 -6.759 -1.381 3.662 449 HB THR 64 HB THR 64 -9.750 -1.095 3.401 450 HG1 THR 64 1HG THR 64 -9.801 -0.104 5.302 451 HG21 THR 64 3HG2 THR 64 -8.313 -2.771 5.415 452 HG22 THR 64 1HG2 THR 64 -8.444 -3.342 3.752 453 HG23 THR 64 2HG2 THR 64 -9.902 -3.007 4.686 454 H LEU 65 H LEU 65 -6.514 -3.152 2.422 455 HA LEU 65 HA LEU 65 -7.572 -3.028 -0.315 456 HB2 LEU 65 1HB LEU 65 -5.363 -4.786 0.731 457 HB3 LEU 65 2HB LEU 65 -5.793 -4.497 -0.953 458 HG LEU 65 HG LEU 65 -4.804 -2.285 0.822 459 HD11 LEU 65 1HD1 LEU 65 -3.210 -4.256 0.744 460 HD12 LEU 65 2HD1 LEU 65 -2.575 -2.704 0.199 461 HD13 LEU 65 3HD1 LEU 65 -3.048 -3.925 -0.981 462 HD21 LEU 65 3HD2 LEU 65 -4.215 -2.392 -2.058 463 HD22 LEU 65 1HD2 LEU 65 -4.733 -1.040 -1.051 464 HD23 LEU 65 2HD2 LEU 65 -5.918 -2.207 -1.638 465 HA PRO 66 HA PRO 66 -10.264 -6.272 1.399 466 HB2 PRO 66 1HB PRO 66 -12.201 -5.935 -0.473 467 HB3 PRO 66 2HB PRO 66 -12.067 -4.916 0.965 468 HG2 PRO 66 1HG PRO 66 -11.152 -4.374 -1.833 469 HG3 PRO 66 2HG PRO 66 -11.973 -3.290 -0.695 470 HD2 PRO 66 1HD PRO 66 -9.302 -3.194 -1.130 471 HD3 PRO 66 2HD PRO 66 -10.028 -2.807 0.444 472 H ASP 67 H ASP 67 -11.495 -8.059 0.106 473 HA ASP 67 HA ASP 67 -11.303 -9.958 -1.135 474 HB2 ASP 67 1HB ASP 67 -10.436 -7.808 -3.028 475 HB3 ASP 67 2HB ASP 67 -10.292 -9.494 -3.519 476 H LEU 68 H LEU 68 -9.390 -9.865 0.725 477 HA LEU 68 HA LEU 68 -6.895 -10.601 -0.650 478 HB2 LEU 68 1HB LEU 68 -7.480 -9.514 2.074 479 HB3 LEU 68 2HB LEU 68 -5.996 -10.418 1.781 480 HG LEU 68 HG LEU 68 -6.816 -7.870 0.386 481 HD11 LEU 68 1HD1 LEU 68 -4.958 -6.872 1.627 482 HD12 LEU 68 2HD1 LEU 68 -4.707 -8.398 2.475 483 HD13 LEU 68 3HD1 LEU 68 -6.204 -7.496 2.709 484 HD21 LEU 68 3HD2 LEU 68 -5.502 -8.877 -1.196 485 HD22 LEU 68 1HD2 LEU 68 -4.583 -9.800 -0.006 486 HD23 LEU 68 2HD2 LEU 68 -4.265 -8.078 -0.223 487 H GLN 69 H GLN 69 -5.645 -12.378 0.382 488 HA GLN 69 HA GLN 69 -7.454 -14.583 1.011 489 HB2 GLN 69 1HB GLN 69 -4.578 -14.457 0.126 490 HB3 GLN 69 2HB GLN 69 -5.309 -15.949 0.705 491 HG2 GLN 69 1HG GLN 69 -6.227 -14.326 -1.658 492 HG3 GLN 69 2HG GLN 69 -5.331 -15.844 -1.717 493 HE21 GLN 69 1HE2 GLN 69 -8.330 -14.480 -1.896 494 HE22 GLN 69 2HE2 GLN 69 -9.296 -15.874 -1.569 495 H ALA 70 H ALA 70 -6.053 -16.308 2.448 496 HA ALA 70 HA ALA 70 -5.522 -14.866 4.959 497 HB1 ALA 70 3HB ALA 70 -7.180 -17.104 4.361 498 HB2 ALA 70 1HB ALA 70 -5.910 -17.617 5.472 499 HB3 ALA 70 2HB ALA 70 -6.962 -16.266 5.897 500 H ALA 71 H ALA 71 -3.887 -15.757 6.388 501 HA ALA 71 HA ALA 71 -1.644 -16.163 6.685 502 HB1 ALA 71 3HB ALA 71 -1.086 -18.477 6.470 503 HB2 ALA 71 1HB ALA 71 -2.783 -18.369 6.941 504 HB3 ALA 71 2HB ALA 71 -2.352 -18.726 5.268 505 H THR 72 H THR 72 -1.765 -14.485 4.616 506 HA THR 72 HA THR 72 0.507 -15.272 3.027 507 HB THR 72 HB THR 72 -2.117 -14.670 1.648 508 HG1 THR 72 1HG THR 72 -1.758 -16.817 0.805 509 HG21 THR 72 3HG2 THR 72 -0.949 -14.806 -0.421 510 HG22 THR 72 1HG2 THR 72 0.535 -15.330 0.374 511 HG23 THR 72 2HG2 THR 72 -0.048 -13.680 0.593 512 H LYS 73 H LYS 73 1.779 -13.553 3.146 513 HA LYS 73 HA LYS 73 0.822 -10.952 3.789 514 HB2 LYS 73 1HB LYS 73 3.099 -10.264 3.731 515 HB3 LYS 73 2HB LYS 73 3.085 -11.895 4.390 516 HG2 LYS 73 1HG LYS 73 3.644 -11.280 1.500 517 HG3 LYS 73 2HG LYS 73 4.898 -11.424 2.733 518 HD2 LYS 73 1HD LYS 73 3.671 -13.715 3.209 519 HD3 LYS 73 2HD LYS 73 3.156 -13.518 1.532 520 HE2 LYS 73 1HE LYS 73 5.114 -14.678 1.245 521 HE3 LYS 73 2HE LYS 73 5.698 -13.018 1.137 522 HZ1 LYS 73 3HZ LYS 73 6.411 -15.025 2.987 523 HZ2 LYS 73 1HZ LYS 73 5.744 -13.713 3.821 524 HZ3 LYS 73 2HZ LYS 73 7.068 -13.477 2.797 525 H TYR 74 H TYR 74 1.781 -9.045 2.392 526 HA TYR 74 HA TYR 74 1.528 -9.520 -0.464 527 HB2 TYR 74 1HB TYR 74 -0.417 -7.856 1.125 528 HB3 TYR 74 2HB TYR 74 -0.152 -7.584 -0.594 529 HD1 TYR 74 2HD TYR 74 -1.039 -10.294 1.813 530 HD2 TYR 74 1HD TYR 74 -1.417 -8.766 -2.140 531 HE1 TYR 74 2HE TYR 74 -2.662 -12.065 1.289 532 HE2 TYR 74 1HE TYR 74 -3.042 -10.533 -2.675 533 HH TYR 74 HH TYR 74 -3.396 -13.225 -1.160 534 H ARG 75 H ARG 75 2.995 -8.347 -1.502 535 HA ARG 75 HA ARG 75 4.588 -6.422 -0.120 536 HB2 ARG 75 1HB ARG 75 5.160 -8.053 -2.125 537 HB3 ARG 75 2HB ARG 75 4.665 -6.672 -3.094 538 HG2 ARG 75 1HG ARG 75 6.319 -5.305 -1.764 539 HG3 ARG 75 2HG ARG 75 6.920 -6.834 -1.119 540 HD2 ARG 75 1HD ARG 75 6.673 -6.374 -4.072 541 HD3 ARG 75 2HD ARG 75 8.090 -5.825 -3.178 542 HE ARG 75 HE ARG 75 7.916 -8.405 -2.448 543 HH11 ARG 75 1HH1 ARG 75 7.841 -6.838 -5.556 544 HH12 ARG 75 2HH1 ARG 75 8.550 -8.178 -6.395 545 HH21 ARG 75 1HH2 ARG 75 8.850 -10.176 -3.541 546 HH22 ARG 75 2HH2 ARG 75 9.122 -10.077 -5.248 547 H VAL 76 H VAL 76 3.294 -4.700 0.479 548 HA VAL 76 HA VAL 76 1.678 -3.305 -1.462 549 HB VAL 76 HB VAL 76 2.392 -2.543 1.374 550 HG11 VAL 76 1HG1 VAL 76 1.006 -0.744 1.231 551 HG12 VAL 76 2HG1 VAL 76 1.549 -0.801 -0.447 552 HG13 VAL 76 3HG1 VAL 76 -0.014 -1.486 -0.001 553 HG21 VAL 76 3HG2 VAL 76 1.040 -4.695 0.889 554 HG22 VAL 76 1HG2 VAL 76 0.424 -3.553 2.084 555 HG23 VAL 76 2HG2 VAL 76 -0.264 -3.587 0.461 556 H LEU 77 H LEU 77 2.537 -1.978 -2.908 557 HA LEU 77 HA LEU 77 4.950 -0.457 -2.174 558 HB2 LEU 77 1HB LEU 77 4.033 -1.724 -4.693 559 HB3 LEU 77 2HB LEU 77 4.921 -0.208 -4.827 560 HG LEU 77 HG LEU 77 6.622 -1.502 -3.251 561 HD11 LEU 77 1HD1 LEU 77 5.451 -3.749 -4.872 562 HD12 LEU 77 2HD1 LEU 77 5.077 -3.486 -3.169 563 HD13 LEU 77 3HD1 LEU 77 6.734 -3.832 -3.664 564 HD21 LEU 77 3HD2 LEU 77 7.741 -2.304 -5.377 565 HD22 LEU 77 1HD2 LEU 77 7.328 -0.591 -5.309 566 HD23 LEU 77 2HD2 LEU 77 6.323 -1.704 -6.237 567 H VAL 78 H VAL 78 4.349 1.509 -1.515 568 HA VAL 78 HA VAL 78 2.173 2.887 -2.921 569 HB VAL 78 HB VAL 78 3.512 3.907 -0.433 570 HG11 VAL 78 1HG1 VAL 78 1.397 5.019 -0.076 571 HG12 VAL 78 2HG1 VAL 78 1.988 5.383 -1.699 572 HG13 VAL 78 3HG1 VAL 78 0.697 4.202 -1.473 573 HG21 VAL 78 3HG2 VAL 78 2.756 1.499 -0.171 574 HG22 VAL 78 1HG2 VAL 78 2.069 2.664 0.961 575 HG23 VAL 78 2HG2 VAL 78 1.112 2.093 -0.406 576 H SER 79 H SER 79 2.425 5.101 -3.551 577 HA SER 79 HA SER 79 5.112 6.193 -3.678 578 HB2 SER 79 1HB SER 79 4.569 6.587 -6.260 579 HB3 SER 79 2HB SER 79 5.402 5.138 -5.697 580 HG SER 79 HG SER 79 3.779 4.014 -6.386 581 H ALA 80 H ALA 80 5.053 8.332 -3.436 582 HA ALA 80 HA ALA 80 2.495 9.676 -3.358 583 HB1 ALA 80 3HB ALA 80 3.497 11.226 -2.053 584 HB2 ALA 80 1HB ALA 80 4.689 9.943 -1.844 585 HB3 ALA 80 2HB ALA 80 4.978 11.235 -3.009 586 H ILE 81 H ILE 81 1.621 10.736 -5.004 587 HA ILE 81 HA ILE 81 3.282 11.375 -7.327 588 HB ILE 81 HB ILE 81 0.290 11.238 -6.978 589 HG12 ILE 81 1HG1 ILE 81 0.398 9.343 -8.427 590 HG13 ILE 81 2HG1 ILE 81 2.079 9.668 -8.835 591 HG21 ILE 81 1HG2 ILE 81 0.085 12.667 -8.667 592 HG22 ILE 81 2HG2 ILE 81 1.832 12.729 -8.895 593 HG23 ILE 81 3HG2 ILE 81 0.883 11.478 -9.696 594 HD11 ILE 81 3HD1 ILE 81 1.162 8.933 -6.071 595 HD12 ILE 81 1HD1 ILE 81 1.702 7.758 -7.270 596 HD13 ILE 81 2HD1 ILE 81 2.814 8.995 -6.685 597 H TYR 82 H TYR 82 3.846 13.391 -7.828 598 HA TYR 82 HA TYR 82 2.460 15.604 -6.461 599 HB2 TYR 82 1HB TYR 82 5.375 15.472 -7.259 600 HB3 TYR 82 2HB TYR 82 4.584 16.826 -6.461 601 HD1 TYR 82 1HD TYR 82 3.948 16.684 -4.106 602 HD2 TYR 82 2HD TYR 82 5.963 13.472 -6.036 603 HE1 TYR 82 1HE TYR 82 4.476 15.705 -1.912 604 HE2 TYR 82 2HE TYR 82 6.495 12.483 -3.847 605 HH TYR 82 HH TYR 82 6.130 14.171 -0.931 606 H ALA 83 H ALA 83 2.877 17.753 -7.638 607 HA ALA 83 HA ALA 83 1.660 17.693 -10.132 608 HB1 ALA 83 3HB ALA 83 2.952 19.711 -8.462 609 HB2 ALA 83 1HB ALA 83 3.030 20.059 -10.190 610 HB3 ALA 83 2HB ALA 83 1.468 19.801 -9.411 611 H ALA 84 H ALA 84 5.107 17.958 -9.331 612 HA ALA 84 HA ALA 84 5.936 18.087 -12.070 613 HB1 ALA 84 3HB ALA 84 8.211 17.844 -11.155 614 HB2 ALA 84 1HB ALA 84 7.290 19.116 -10.350 615 HB3 ALA 84 2HB ALA 84 7.518 17.556 -9.558 616 H GLY 85 H GLY 85 6.085 15.569 -9.551 617 HA2 GLY 85 1HA GLY 85 5.596 13.475 -11.409 618 HA3 GLY 85 2HA GLY 85 7.308 13.563 -11.023 619 H ARG 86 H ARG 86 6.323 11.268 -10.373 620 HA ARG 86 HA ARG 86 5.400 11.372 -7.592 621 HB2 ARG 86 1HB ARG 86 4.915 8.962 -7.888 622 HB3 ARG 86 2HB ARG 86 4.063 9.974 -9.046 623 HG2 ARG 86 1HG ARG 86 5.305 9.226 -10.825 624 HG3 ARG 86 2HG ARG 86 6.682 8.783 -9.815 625 HD2 ARG 86 1HD ARG 86 5.293 6.946 -8.856 626 HD3 ARG 86 2HD ARG 86 4.044 7.343 -10.036 627 HE ARG 86 HE ARG 86 6.203 6.948 -11.589 628 HH11 ARG 86 1HH1 ARG 86 4.779 5.073 -9.025 629 HH12 ARG 86 2HH1 ARG 86 5.292 3.551 -9.677 630 HH21 ARG 86 1HH2 ARG 86 6.884 4.952 -12.457 631 HH22 ARG 86 2HH2 ARG 86 6.490 3.484 -11.628 632 H SER 87 H SER 87 6.522 10.428 -5.921 633 HA SER 87 HA SER 87 9.360 10.211 -6.271 634 HB2 SER 87 1HB SER 87 9.431 9.855 -3.858 635 HB3 SER 87 2HB SER 87 8.344 11.193 -4.233 636 HG SER 87 HG SER 87 7.412 8.544 -3.903 637 H GLU 88 H GLU 88 10.483 8.301 -5.086 638 HA GLU 88 HA GLU 88 10.175 6.004 -6.585 639 HB2 GLU 88 1HB GLU 88 11.666 4.925 -5.050 640 HB3 GLU 88 2HB GLU 88 12.165 6.605 -5.194 641 HG2 GLU 88 1HG GLU 88 10.936 7.085 -3.086 642 HG3 GLU 88 2HG GLU 88 10.635 5.356 -2.926 643 H ALA 89 H ALA 89 9.890 3.759 -5.320 644 HA ALA 89 HA ALA 89 7.223 3.884 -4.068 645 HB1 ALA 89 3HB ALA 89 6.912 1.570 -4.978 646 HB2 ALA 89 1HB ALA 89 7.026 2.839 -6.198 647 HB3 ALA 89 2HB ALA 89 8.411 1.793 -5.881 648 H VAL 90 H VAL 90 6.910 2.898 -2.150 649 HA VAL 90 HA VAL 90 9.229 1.538 -0.952 650 HB VAL 90 HB VAL 90 7.980 2.019 1.233 651 HG11 VAL 90 1HG1 VAL 90 8.979 4.184 1.438 652 HG12 VAL 90 2HG1 VAL 90 10.020 3.197 0.409 653 HG13 VAL 90 3HG1 VAL 90 8.963 4.413 -0.310 654 HG21 VAL 90 3HG2 VAL 90 5.833 2.582 0.072 655 HG22 VAL 90 1HG2 VAL 90 6.371 3.783 1.247 656 HG23 VAL 90 2HG2 VAL 90 6.592 4.076 -0.478 657 H SER 91 H SER 91 9.088 -0.593 -0.808 658 HA SER 91 HA SER 91 6.500 -1.905 -0.990 659 HB2 SER 91 1HB SER 91 7.637 -3.807 -1.639 660 HB3 SER 91 2HB SER 91 8.780 -2.569 -2.161 661 HG SER 91 HG SER 91 10.161 -3.313 -0.773 662 H ALA 92 H ALA 92 5.803 -3.516 0.508 663 HA ALA 92 HA ALA 92 7.123 -3.862 3.026 664 HB1 ALA 92 3HB ALA 92 5.264 -2.887 4.384 665 HB2 ALA 92 1HB ALA 92 6.243 -1.701 3.520 666 HB3 ALA 92 2HB ALA 92 4.650 -2.147 2.906 667 H THR 93 H THR 93 6.787 -5.945 3.393 668 HA THR 93 HA THR 93 4.369 -7.237 2.409 669 HB THR 93 HB THR 93 5.480 -9.349 3.098 670 HG1 THR 93 1HG THR 93 6.833 -7.982 4.710 671 HG21 THR 93 3HG2 THR 93 7.332 -7.634 1.448 672 HG22 THR 93 1HG2 THR 93 5.812 -8.286 0.838 673 HG23 THR 93 2HG2 THR 93 7.100 -9.379 1.346 674 H GLY 94 H GLY 94 2.704 -7.844 3.650 675 HA2 GLY 94 1HA GLY 94 3.097 -7.964 6.567 676 HA3 GLY 94 2HA GLY 94 1.785 -7.004 5.899 677 H GLN 95 H GLN 95 2.708 -10.039 7.026 678 HA GLN 95 HA GLN 95 1.141 -11.812 5.574 679 HB2 GLN 95 1HB GLN 95 2.802 -12.429 7.332 680 HB3 GLN 95 2HB GLN 95 1.645 -11.913 8.552 681 HG2 GLN 95 1HG GLN 95 0.066 -13.612 7.751 682 HG3 GLN 95 2HG GLN 95 1.262 -14.146 6.571 683 HE21 GLN 95 1HE2 GLN 95 1.525 -16.184 7.357 684 HE22 GLN 95 2HE2 GLN 95 2.227 -16.533 8.897 685 H THR 96 H THR 96 -0.977 -12.252 5.456 686 HA THR 96 HA THR 96 -2.858 -10.431 6.587 687 HB THR 96 HB THR 96 -4.482 -12.337 5.668 688 HG1 THR 96 1HG THR 96 -3.398 -13.349 3.861 689 HG21 THR 96 3HG2 THR 96 -4.765 -10.421 4.499 690 HG22 THR 96 1HG2 THR 96 -3.796 -11.258 3.287 691 HG23 THR 96 2HG2 THR 96 -3.033 -10.110 4.387 692 H ALA 97 H ALA 97 -4.985 -11.583 7.500 693 HA ALA 97 HA ALA 97 -4.146 -12.768 10.009 694 HB1 ALA 97 3HB ALA 97 -5.868 -10.932 9.811 695 HB2 ALA 97 1HB ALA 97 -6.965 -12.152 9.162 696 HB3 ALA 97 2HB ALA 97 -6.329 -12.319 10.799 697 H CYS 98 H CYS 98 -5.130 -14.693 10.884 698 HA CYS 98 HA CYS 98 -5.375 -16.767 8.875 699 HB2 CYS 98 1HB CYS 98 -5.049 -18.314 10.615 700 HB3 CYS 98 2HB CYS 98 -4.044 -16.942 11.066 701 HG CYS 98 HG CYS 98 -5.496 -16.097 13.144 702 HA PRO 99 HA PRO 99 -9.760 -17.026 8.851 703 HB2 PRO 99 1HB PRO 99 -10.074 -19.651 8.236 704 HB3 PRO 99 2HB PRO 99 -9.527 -18.448 7.062 705 HG2 PRO 99 1HG PRO 99 -7.920 -20.404 8.659 706 HG3 PRO 99 2HG PRO 99 -7.760 -19.956 6.951 707 HD2 PRO 99 1HD PRO 99 -6.143 -18.953 8.878 708 HD3 PRO 99 2HD PRO 99 -6.602 -18.023 7.436 709 H SER 100 H SER 100 -11.219 -17.169 10.433 710 HA SER 100 HA SER 100 -11.323 -19.440 12.204 711 HB2 SER 100 1HB SER 100 -9.612 -18.098 13.329 712 HB3 SER 100 2HB SER 100 -10.683 -16.697 13.317 713 HG SER 100 HG SER 100 -12.108 -18.510 14.436 714 H GLY 101 H GLY 101 -13.407 -19.892 12.409 715 HA2 GLY 101 1HA GLY 101 -15.337 -17.935 13.180 716 HA3 GLY 101 2HA GLY 101 -15.509 -18.366 11.485 717 HA PRO 102 HA PRO 102 -17.606 -21.458 14.456 718 HB2 PRO 102 1HB PRO 102 -20.175 -20.623 14.182 719 HB3 PRO 102 2HB PRO 102 -19.098 -20.019 15.447 720 HG2 PRO 102 1HG PRO 102 -19.833 -18.769 12.828 721 HG3 PRO 102 2HG PRO 102 -19.690 -18.015 14.427 722 HD2 PRO 102 1HD PRO 102 -17.746 -17.832 12.551 723 HD3 PRO 102 2HD PRO 102 -17.394 -17.867 14.291 724 H SER 103 H SER 103 -17.933 -23.330 13.447 725 HA SER 103 HA SER 103 -19.606 -23.428 11.060 726 HB2 SER 103 1HB SER 103 -17.385 -23.185 10.117 727 HB3 SER 103 2HB SER 103 -16.767 -24.474 11.149 728 HG SER 103 HG SER 103 -17.229 -25.639 9.444 729 H SER 104 H SER 104 -20.626 -25.392 10.735 730 HA SER 104 HA SER 104 -20.502 -27.221 13.021 731 HB2 SER 104 1HB SER 104 -22.699 -27.982 12.350 732 HB3 SER 104 2HB SER 104 -22.701 -26.219 12.377 733 HG SER 104 HG SER 104 -23.038 -27.945 10.273 734 H GLY 105 H GLY 105 -18.382 -27.420 11.235 735 HA2 GLY 105 1HA GLY 105 -18.865 -30.116 10.165 736 HA3 GLY 105 2HA GLY 105 -18.148 -28.900 9.119 Start of MODEL 2 1 H1 GLY 1 H GLY 1 11.006 22.799 -15.070 2 HA2 GLY 1 1HA GLY 1 9.847 20.702 -15.495 3 HA3 GLY 1 2HA GLY 1 9.622 21.234 -17.155 4 H SER 2 H SER 2 11.707 21.629 -18.382 5 HA SER 2 HA SER 2 13.188 19.251 -18.467 6 HB2 SER 2 1HB SER 2 12.835 21.034 -20.306 7 HB3 SER 2 2HB SER 2 14.218 21.853 -19.579 8 HG SER 2 HG SER 2 14.833 20.432 -21.273 9 H SER 3 H SER 3 14.220 22.498 -17.414 10 HA SER 3 HA SER 3 16.394 21.214 -15.897 11 HB2 SER 3 1HB SER 3 17.166 22.762 -17.657 12 HB3 SER 3 2HB SER 3 16.229 24.061 -16.919 13 HG SER 3 HG SER 3 18.405 22.657 -15.756 14 H GLY 4 H GLY 4 15.752 20.955 -13.850 15 HA2 GLY 4 1HA GLY 4 15.674 22.459 -11.794 16 HA3 GLY 4 2HA GLY 4 14.260 23.156 -12.570 17 H SER 5 H SER 5 14.303 21.963 -9.991 18 HA SER 5 HA SER 5 12.200 20.003 -10.379 19 HB2 SER 5 1HB SER 5 13.266 18.380 -8.803 20 HB3 SER 5 2HB SER 5 14.132 18.546 -10.330 21 HG SER 5 HG SER 5 15.594 19.936 -9.266 22 H SER 6 H SER 6 10.885 19.701 -8.535 23 HA SER 6 HA SER 6 11.063 21.920 -6.637 24 HB2 SER 6 1HB SER 6 8.945 21.477 -7.943 25 HB3 SER 6 2HB SER 6 8.764 19.992 -7.010 26 HG SER 6 HG SER 6 7.970 22.386 -6.327 27 H GLY 7 H GLY 7 10.466 18.406 -6.625 28 HA2 GLY 7 1HA GLY 7 11.997 17.257 -4.942 29 HA3 GLY 7 2HA GLY 7 11.277 18.371 -3.789 30 H ARG 8 H ARG 8 11.270 15.371 -4.045 31 HA ARG 8 HA ARG 8 8.414 15.049 -3.545 32 HB2 ARG 8 1HB ARG 8 9.921 13.218 -5.420 33 HB3 ARG 8 2HB ARG 8 8.230 13.082 -4.957 34 HG2 ARG 8 1HG ARG 8 7.616 14.959 -6.208 35 HG3 ARG 8 2HG ARG 8 9.284 15.519 -6.346 36 HD2 ARG 8 1HD ARG 8 8.317 12.935 -7.546 37 HD3 ARG 8 2HD ARG 8 8.281 14.467 -8.417 38 HE ARG 8 HE ARG 8 10.859 13.822 -7.325 39 HH11 ARG 8 1HH1 ARG 8 8.707 13.394 -10.028 40 HH12 ARG 8 2HH1 ARG 8 9.979 13.058 -11.155 41 HH21 ARG 8 1HH2 ARG 8 12.543 13.381 -8.799 42 HH22 ARG 8 2HH2 ARG 8 12.161 13.050 -10.455 43 H SER 9 H SER 9 7.967 13.621 -1.946 44 HA SER 9 HA SER 9 10.194 11.986 -0.924 45 HB2 SER 9 1HB SER 9 9.868 13.943 0.529 46 HB3 SER 9 2HB SER 9 8.168 13.518 0.727 47 HG SER 9 HG SER 9 9.991 11.520 1.318 48 HA PRO 10 HA PRO 10 7.167 8.775 -1.528 49 HB2 PRO 10 1HB PRO 10 8.736 6.747 -0.636 50 HB3 PRO 10 2HB PRO 10 8.921 7.472 -2.237 51 HG2 PRO 10 1HG PRO 10 10.484 7.982 0.264 52 HG3 PRO 10 2HG PRO 10 11.067 7.789 -1.399 53 HD2 PRO 10 1HD PRO 10 10.778 10.214 -0.229 54 HD3 PRO 10 2HD PRO 10 10.539 9.958 -1.970 55 HA PRO 11 HA PRO 11 5.340 8.173 2.431 56 HB2 PRO 11 1HB PRO 11 4.128 5.769 2.081 57 HB3 PRO 11 2HB PRO 11 3.545 7.258 1.328 58 HG2 PRO 11 1HG PRO 11 5.215 5.069 0.152 59 HG3 PRO 11 2HG PRO 11 3.844 5.938 -0.563 60 HD2 PRO 11 1HD PRO 11 6.417 6.528 -1.165 61 HD3 PRO 11 2HD PRO 11 5.136 7.757 -1.141 62 H SER 12 H SER 12 6.404 7.707 4.242 63 HA SER 12 HA SER 12 7.897 5.169 4.388 64 HB2 SER 12 1HB SER 12 8.434 7.692 5.971 65 HB3 SER 12 2HB SER 12 9.424 6.233 5.936 66 HG SER 12 HG SER 12 9.910 6.659 3.782 67 H ASN 13 H ASN 13 8.285 4.641 6.871 68 HA ASN 13 HA ASN 13 7.380 3.854 8.803 69 HB2 ASN 13 1HB ASN 13 5.630 6.280 8.394 70 HB3 ASN 13 2HB ASN 13 5.496 5.240 9.809 71 HD21 ASN 13 1HD2 ASN 13 7.562 7.449 8.063 72 HD22 ASN 13 2HD2 ASN 13 8.619 7.808 9.382 73 H LEU 14 H LEU 14 6.566 2.664 6.387 74 HA LEU 14 HA LEU 14 3.763 2.300 6.233 75 HB2 LEU 14 1HB LEU 14 6.161 0.973 5.100 76 HB3 LEU 14 2HB LEU 14 4.651 0.065 5.088 77 HG LEU 14 HG LEU 14 4.959 2.805 3.871 78 HD11 LEU 14 1HD1 LEU 14 6.432 1.355 2.672 79 HD12 LEU 14 2HD1 LEU 14 4.976 1.578 1.703 80 HD13 LEU 14 3HD1 LEU 14 5.211 0.083 2.607 81 HD21 LEU 14 3HD2 LEU 14 2.890 0.783 3.141 82 HD22 LEU 14 1HD2 LEU 14 2.835 2.542 3.031 83 HD23 LEU 14 2HD2 LEU 14 2.680 1.752 4.600 84 H ALA 15 H ALA 15 2.476 1.252 7.583 85 HA ALA 15 HA ALA 15 3.582 -0.999 9.131 86 HB1 ALA 15 3HB ALA 15 2.773 1.395 10.208 87 HB2 ALA 15 1HB ALA 15 1.354 0.368 10.416 88 HB3 ALA 15 2HB ALA 15 2.911 -0.134 11.076 89 H LEU 16 H LEU 16 2.752 -2.690 8.013 90 HA LEU 16 HA LEU 16 0.055 -2.679 7.008 91 HB2 LEU 16 1HB LEU 16 2.373 -4.521 6.935 92 HB3 LEU 16 2HB LEU 16 0.774 -5.240 6.752 93 HG LEU 16 HG LEU 16 0.355 -3.838 4.800 94 HD11 LEU 16 1HD1 LEU 16 1.660 -1.891 5.422 95 HD12 LEU 16 2HD1 LEU 16 2.163 -2.487 3.840 96 HD13 LEU 16 3HD1 LEU 16 3.154 -2.816 5.262 97 HD21 LEU 16 3HD2 LEU 16 2.205 -4.785 3.336 98 HD22 LEU 16 1HD2 LEU 16 1.260 -5.943 4.273 99 HD23 LEU 16 2HD2 LEU 16 2.873 -5.479 4.815 100 H ALA 17 H ALA 17 -1.642 -2.986 8.278 101 HA ALA 17 HA ALA 17 -1.366 -4.791 10.592 102 HB1 ALA 17 3HB ALA 17 -3.236 -2.453 10.226 103 HB2 ALA 17 1HB ALA 17 -3.209 -3.531 11.622 104 HB3 ALA 17 2HB ALA 17 -1.816 -2.508 11.271 105 H SER 18 H SER 18 -2.421 -6.650 10.453 106 HA SER 18 HA SER 18 -4.518 -6.953 8.438 107 HB2 SER 18 1HB SER 18 -2.696 -8.595 8.410 108 HB3 SER 18 2HB SER 18 -3.055 -9.036 10.080 109 HG SER 18 HG SER 18 -5.164 -9.163 8.277 110 H GLU 19 H GLU 19 -6.567 -6.767 9.024 111 HA GLU 19 HA GLU 19 -7.295 -7.321 11.820 112 HB2 GLU 19 1HB GLU 19 -9.011 -5.797 9.879 113 HB3 GLU 19 2HB GLU 19 -9.046 -5.764 11.637 114 HG2 GLU 19 1HG GLU 19 -6.577 -4.846 10.268 115 HG3 GLU 19 2HG GLU 19 -7.997 -3.802 10.227 116 H THR 20 H THR 20 -8.031 -8.052 8.482 117 HA THR 20 HA THR 20 -9.655 -10.317 9.381 118 HB THR 20 HB THR 20 -11.453 -8.992 8.816 119 HG1 THR 20 1HG THR 20 -11.940 -9.548 6.502 120 HG21 THR 20 3HG2 THR 20 -10.006 -7.840 6.437 121 HG22 THR 20 1HG2 THR 20 -9.961 -7.103 8.038 122 HG23 THR 20 2HG2 THR 20 -11.496 -7.265 7.184 123 HA PRO 21 HA PRO 21 -7.286 -12.542 6.415 124 HB2 PRO 21 1HB PRO 21 -8.967 -14.625 5.962 125 HB3 PRO 21 2HB PRO 21 -8.039 -14.447 7.456 126 HG2 PRO 21 1HG PRO 21 -10.904 -13.768 6.913 127 HG3 PRO 21 2HG PRO 21 -10.192 -14.566 8.328 128 HD2 PRO 21 1HD PRO 21 -10.866 -11.944 8.320 129 HD3 PRO 21 2HD PRO 21 -9.497 -12.575 9.258 130 H ASP 22 H ASP 22 -9.985 -10.806 5.656 131 HA ASP 22 HA ASP 22 -9.856 -11.590 2.817 132 HB2 ASP 22 1HB ASP 22 -12.221 -10.118 3.890 133 HB3 ASP 22 2HB ASP 22 -12.126 -11.276 2.566 134 H SER 23 H SER 23 -8.848 -9.317 4.917 135 HA SER 23 HA SER 23 -8.362 -7.393 2.843 136 HB2 SER 23 1HB SER 23 -9.809 -6.227 5.186 137 HB3 SER 23 2HB SER 23 -9.678 -5.621 3.536 138 HG SER 23 HG SER 23 -11.512 -6.553 3.170 139 H LEU 24 H LEU 24 -6.717 -5.952 3.360 140 HA LEU 24 HA LEU 24 -5.492 -6.298 6.015 141 HB2 LEU 24 1HB LEU 24 -4.303 -7.544 4.212 142 HB3 LEU 24 2HB LEU 24 -4.000 -6.003 3.414 143 HG LEU 24 HG LEU 24 -2.910 -5.447 5.782 144 HD11 LEU 24 1HD1 LEU 24 -2.029 -8.267 5.584 145 HD12 LEU 24 2HD1 LEU 24 -3.591 -7.956 6.340 146 HD13 LEU 24 3HD1 LEU 24 -2.134 -7.203 6.987 147 HD21 LEU 24 3HD2 LEU 24 -1.901 -5.449 3.461 148 HD22 LEU 24 1HD2 LEU 24 -1.422 -7.118 3.772 149 HD23 LEU 24 2HD2 LEU 24 -0.800 -5.818 4.789 150 H GLN 25 H GLN 25 -5.143 -4.464 7.079 151 HA GLN 25 HA GLN 25 -5.623 -1.936 5.740 152 HB2 GLN 25 1HB GLN 25 -6.394 -2.733 8.139 153 HB3 GLN 25 2HB GLN 25 -4.819 -2.110 8.611 154 HG2 GLN 25 1HG GLN 25 -5.395 0.051 8.210 155 HG3 GLN 25 2HG GLN 25 -6.541 -0.372 6.940 156 HE21 GLN 25 1HE2 GLN 25 -8.355 -1.894 7.944 157 HE22 GLN 25 2HE2 GLN 25 -9.127 -1.216 9.332 158 H VAL 26 H VAL 26 -4.154 -0.307 5.449 159 HA VAL 26 HA VAL 26 -1.391 -0.761 6.323 160 HB VAL 26 HB VAL 26 -1.194 -1.559 4.138 161 HG11 VAL 26 1HG1 VAL 26 -2.221 -0.531 2.181 162 HG12 VAL 26 2HG1 VAL 26 -3.443 -0.948 3.384 163 HG13 VAL 26 3HG1 VAL 26 -2.923 0.727 3.198 164 HG21 VAL 26 3HG2 VAL 26 -0.642 1.318 3.552 165 HG22 VAL 26 1HG2 VAL 26 0.266 0.491 4.818 166 HG23 VAL 26 2HG2 VAL 26 0.315 -0.111 3.161 167 H SER 27 H SER 27 -0.510 1.006 7.179 168 HA SER 27 HA SER 27 -1.617 3.632 6.440 169 HB2 SER 27 1HB SER 27 -1.568 4.360 8.721 170 HB3 SER 27 2HB SER 27 -2.404 2.808 8.700 171 HG SER 27 HG SER 27 -0.920 2.063 9.970 172 H TRP 28 H TRP 28 -0.172 5.245 6.110 173 HA TRP 28 HA TRP 28 2.644 4.744 6.778 174 HB2 TRP 28 1HB TRP 28 3.296 5.672 4.556 175 HB3 TRP 28 2HB TRP 28 2.434 4.139 4.449 176 HD1 TRP 28 HD TRP 28 2.120 7.821 3.544 177 HE1 TRP 28 1HE TRP 28 0.091 8.130 1.992 178 HE3 TRP 28 3HE TRP 28 0.104 3.137 3.903 179 HZ2 TRP 28 2HZ TRP 28 -2.079 6.592 1.045 180 HZ3 TRP 28 3HZ TRP 28 -1.950 2.638 2.643 181 HH2 TRP 28 HH TRP 28 -3.018 4.331 1.245 182 H THR 29 H THR 29 3.962 6.825 6.334 183 HA THR 29 HA THR 29 2.467 9.048 7.536 184 HB THR 29 HB THR 29 5.445 8.530 7.430 185 HG1 THR 29 1HG THR 29 5.178 8.168 9.653 186 HG21 THR 29 3HG2 THR 29 4.649 10.973 7.366 187 HG22 THR 29 1HG2 THR 29 5.804 10.518 8.618 188 HG23 THR 29 2HG2 THR 29 4.095 10.694 9.017 189 HA PRO 30 HA PRO 30 2.737 10.910 3.462 190 HB2 PRO 30 1HB PRO 30 1.184 13.050 4.078 191 HB3 PRO 30 2HB PRO 30 0.519 11.454 3.711 192 HG2 PRO 30 1HG PRO 30 0.997 12.740 6.371 193 HG3 PRO 30 2HG PRO 30 -0.402 11.802 5.817 194 HD2 PRO 30 1HD PRO 30 1.538 10.739 7.378 195 HD3 PRO 30 2HD PRO 30 0.651 9.783 6.173 196 HA PRO 31 HA PRO 31 6.059 13.733 4.254 197 HB2 PRO 31 1HB PRO 31 6.265 14.752 1.746 198 HB3 PRO 31 2HB PRO 31 6.845 13.139 2.178 199 HG2 PRO 31 1HG PRO 31 4.290 13.938 0.838 200 HG3 PRO 31 2HG PRO 31 5.383 12.596 0.453 201 HD2 PRO 31 1HD PRO 31 3.089 12.251 1.850 202 HD3 PRO 31 2HD PRO 31 4.535 11.258 2.128 203 H LEU 32 H LEU 32 6.511 16.138 3.283 204 HA LEU 32 HA LEU 32 4.319 17.726 4.347 205 HB2 LEU 32 1HB LEU 32 6.795 18.005 4.934 206 HB3 LEU 32 2HB LEU 32 6.953 18.771 3.354 207 HG LEU 32 HG LEU 32 6.762 20.429 5.127 208 HD11 LEU 32 1HD1 LEU 32 5.521 21.812 3.868 209 HD12 LEU 32 2HD1 LEU 32 4.122 20.739 3.879 210 HD13 LEU 32 3HD1 LEU 32 5.451 20.443 2.758 211 HD21 LEU 32 3HD2 LEU 32 5.174 18.739 6.432 212 HD22 LEU 32 1HD2 LEU 32 3.933 19.731 5.666 213 HD23 LEU 32 2HD2 LEU 32 5.138 20.480 6.714 214 H GLY 33 H GLY 33 6.307 17.621 1.392 215 HA2 GLY 33 1HA GLY 33 5.220 19.640 -0.080 216 HA3 GLY 33 2HA GLY 33 5.729 18.113 -0.786 217 H ARG 34 H ARG 34 3.683 19.560 -1.913 218 HA ARG 34 HA ARG 34 1.149 18.520 -0.990 219 HB2 ARG 34 1HB ARG 34 1.317 20.789 -1.938 220 HB3 ARG 34 2HB ARG 34 1.820 20.103 -3.477 221 HG2 ARG 34 1HG ARG 34 -0.744 19.156 -2.336 222 HG3 ARG 34 2HG ARG 34 -0.687 20.798 -2.981 223 HD2 ARG 34 1HD ARG 34 0.463 18.590 -4.611 224 HD3 ARG 34 2HD ARG 34 -1.292 18.729 -4.507 225 HE ARG 34 HE ARG 34 -0.616 21.221 -5.158 226 HH11 ARG 34 1HH1 ARG 34 0.440 18.166 -6.452 227 HH12 ARG 34 2HH1 ARG 34 0.724 18.790 -8.043 228 HH21 ARG 34 1HH2 ARG 34 -0.247 22.054 -7.249 229 HH22 ARG 34 2HH2 ARG 34 0.333 21.002 -8.495 230 H VAL 35 H VAL 35 0.542 16.513 -1.433 231 HA VAL 35 HA VAL 35 1.470 15.265 -3.931 232 HB VAL 35 HB VAL 35 0.418 13.923 -1.437 233 HG11 VAL 35 1HG1 VAL 35 1.836 12.611 -3.736 234 HG12 VAL 35 2HG1 VAL 35 0.900 11.858 -2.443 235 HG13 VAL 35 3HG1 VAL 35 0.082 12.788 -3.699 236 HG21 VAL 35 3HG2 VAL 35 3.139 13.295 -2.079 237 HG22 VAL 35 1HG2 VAL 35 2.947 15.042 -1.937 238 HG23 VAL 35 2HG2 VAL 35 2.476 13.992 -0.601 239 H LEU 36 H LEU 36 0.044 14.914 -5.495 240 HA LEU 36 HA LEU 36 -2.654 15.682 -5.306 241 HB2 LEU 36 1HB LEU 36 -1.424 13.838 -7.346 242 HB3 LEU 36 2HB LEU 36 -2.908 14.770 -7.525 243 HG LEU 36 HG LEU 36 -0.228 16.081 -7.144 244 HD11 LEU 36 1HD1 LEU 36 -1.253 16.128 -9.850 245 HD12 LEU 36 2HD1 LEU 36 -0.885 14.489 -9.313 246 HD13 LEU 36 3HD1 LEU 36 0.362 15.735 -9.259 247 HD21 LEU 36 3HD2 LEU 36 -2.980 16.951 -7.554 248 HD22 LEU 36 1HD2 LEU 36 -1.842 17.673 -8.693 249 HD23 LEU 36 2HD2 LEU 36 -1.582 17.848 -6.957 250 H HIS 37 H HIS 37 -1.416 12.395 -5.938 251 HA HIS 37 HA HIS 37 -3.452 11.320 -4.134 252 HB2 HIS 37 1HB HIS 37 -4.152 9.642 -5.779 253 HB3 HIS 37 2HB HIS 37 -4.468 11.272 -6.368 254 HD1 HIS 37 1HD HIS 37 -2.997 8.149 -7.376 255 HD2 HIS 37 2HD HIS 37 -2.323 12.157 -8.237 256 HE1 HIS 37 1HE HIS 37 -1.669 8.164 -9.512 257 HE2 HIS 37 2HE HIS 37 -1.201 10.597 -9.967 258 H TYR 38 H TYR 38 -3.112 8.925 -3.785 259 HA TYR 38 HA TYR 38 -0.222 8.356 -3.753 260 HB2 TYR 38 1HB TYR 38 -2.399 7.591 -1.806 261 HB3 TYR 38 2HB TYR 38 -0.794 6.869 -1.782 262 HD1 TYR 38 2HD TYR 38 1.151 8.776 -1.901 263 HD2 TYR 38 1HD TYR 38 -2.753 9.277 -0.285 264 HE1 TYR 38 2HE TYR 38 1.969 10.634 -0.513 265 HE2 TYR 38 1HE TYR 38 -1.946 11.137 1.106 266 HH TYR 38 HH TYR 38 1.134 11.703 1.811 267 H TRP 39 H TRP 39 0.091 7.107 -5.516 268 HA TRP 39 HA TRP 39 -1.777 5.126 -6.383 269 HB2 TRP 39 1HB TRP 39 -0.027 6.420 -7.784 270 HB3 TRP 39 2HB TRP 39 1.113 5.206 -7.211 271 HD1 TRP 39 HD TRP 39 1.487 3.536 -9.107 272 HE1 TRP 39 1HE TRP 39 -0.006 2.278 -10.784 273 HE3 TRP 39 3HE TRP 39 -3.024 5.614 -7.894 274 HZ2 TRP 39 2HZ TRP 39 -2.735 2.181 -11.499 275 HZ3 TRP 39 3HZ TRP 39 -5.027 4.884 -9.122 276 HH2 TRP 39 HH TRP 39 -4.884 3.204 -10.888 277 H LEU 40 H LEU 40 -2.146 3.497 -4.978 278 HA LEU 40 HA LEU 40 0.121 2.165 -3.701 279 HB2 LEU 40 1HB LEU 40 -2.177 2.878 -2.615 280 HB3 LEU 40 2HB LEU 40 -2.698 1.322 -3.257 281 HG LEU 40 HG LEU 40 -0.232 1.407 -1.592 282 HD11 LEU 40 1HD1 LEU 40 -1.351 2.486 0.034 283 HD12 LEU 40 2HD1 LEU 40 -2.096 0.908 0.290 284 HD13 LEU 40 3HD1 LEU 40 -2.930 2.132 -0.667 285 HD21 LEU 40 3HD2 LEU 40 -1.921 -0.690 -0.882 286 HD22 LEU 40 1HD2 LEU 40 -0.495 -0.775 -1.917 287 HD23 LEU 40 2HD2 LEU 40 -2.090 -0.540 -2.632 288 H THR 41 H THR 41 0.783 0.150 -4.199 289 HA THR 41 HA THR 41 -0.838 -1.441 -6.062 290 HB THR 41 HB THR 41 1.418 -2.126 -7.125 291 HG1 THR 41 1HG THR 41 3.097 -0.797 -6.806 292 HG21 THR 41 3HG2 THR 41 -0.429 -0.012 -7.681 293 HG22 THR 41 1HG2 THR 41 0.484 -1.010 -8.812 294 HG23 THR 41 2HG2 THR 41 1.187 0.481 -8.185 295 H TYR 42 H TYR 42 -1.365 -3.127 -4.803 296 HA TYR 42 HA TYR 42 0.675 -4.322 -3.077 297 HB2 TYR 42 1HB TYR 42 -1.165 -5.523 -2.021 298 HB3 TYR 42 2HB TYR 42 -1.520 -3.800 -2.077 299 HD1 TYR 42 1HD TYR 42 -3.214 -2.934 -3.649 300 HD2 TYR 42 2HD TYR 42 -2.505 -7.107 -3.218 301 HE1 TYR 42 1HE TYR 42 -5.356 -3.407 -4.763 302 HE2 TYR 42 2HE TYR 42 -4.644 -7.592 -4.332 303 HH TYR 42 HH TYR 42 -7.025 -5.284 -4.822 304 H ALA 43 H ALA 43 1.342 -6.433 -3.261 305 HA ALA 43 HA ALA 43 0.195 -8.150 -5.302 306 HB1 ALA 43 3HB ALA 43 3.084 -7.297 -5.456 307 HB2 ALA 43 1HB ALA 43 2.297 -8.499 -6.480 308 HB3 ALA 43 2HB ALA 43 1.803 -6.807 -6.565 309 HA PRO 44 HA PRO 44 1.341 -11.313 -2.479 310 HB2 PRO 44 1HB PRO 44 1.639 -13.419 -4.166 311 HB3 PRO 44 2HB PRO 44 0.063 -12.737 -3.751 312 HG2 PRO 44 1HG PRO 44 1.742 -12.280 -6.187 313 HG3 PRO 44 2HG PRO 44 -0.008 -12.540 -6.067 314 HD2 PRO 44 1HD PRO 44 1.081 -10.081 -6.380 315 HD3 PRO 44 2HD PRO 44 -0.419 -10.352 -5.471 316 H ALA 45 H ALA 45 3.382 -10.486 -1.814 317 HA ALA 45 HA ALA 45 5.787 -10.379 -2.951 318 HB1 ALA 45 3HB ALA 45 6.497 -11.623 -0.616 319 HB2 ALA 45 1HB ALA 45 6.144 -9.905 -0.796 320 HB3 ALA 45 2HB ALA 45 4.884 -11.012 -0.249 321 H SER 46 H SER 46 4.472 -13.415 -1.622 322 HA SER 46 HA SER 46 6.403 -15.211 -2.044 323 HB2 SER 46 1HB SER 46 3.457 -15.375 -2.529 324 HB3 SER 46 2HB SER 46 4.468 -16.743 -2.995 325 HG SER 46 HG SER 46 3.610 -16.787 -0.797 326 H GLY 47 H GLY 47 4.291 -13.989 -4.633 327 HA2 GLY 47 1HA GLY 47 5.115 -13.489 -6.815 328 HA3 GLY 47 2HA GLY 47 6.415 -14.642 -6.554 329 H LEU 48 H LEU 48 2.846 -14.693 -6.520 330 HA LEU 48 HA LEU 48 2.956 -16.966 -8.380 331 HB2 LEU 48 1HB LEU 48 1.085 -16.768 -6.027 332 HB3 LEU 48 2HB LEU 48 1.197 -18.097 -7.178 333 HG LEU 48 HG LEU 48 3.546 -17.366 -5.469 334 HD11 LEU 48 1HD1 LEU 48 1.007 -18.311 -4.517 335 HD12 LEU 48 2HD1 LEU 48 2.469 -17.918 -3.612 336 HD13 LEU 48 3HD1 LEU 48 2.251 -19.538 -4.274 337 HD21 LEU 48 3HD2 LEU 48 2.934 -20.158 -6.053 338 HD22 LEU 48 1HD2 LEU 48 4.436 -19.258 -6.257 339 HD23 LEU 48 2HD2 LEU 48 3.184 -19.174 -7.496 340 H GLY 49 H GLY 49 1.034 -14.351 -6.976 341 HA2 GLY 49 1HA GLY 49 -0.794 -14.490 -9.276 342 HA3 GLY 49 2HA GLY 49 -1.114 -13.648 -7.767 343 HA PRO 50 HA PRO 50 0.514 -10.753 -11.151 344 HB2 PRO 50 1HB PRO 50 -1.792 -9.393 -11.599 345 HB3 PRO 50 2HB PRO 50 -1.342 -10.845 -12.502 346 HG2 PRO 50 1HG PRO 50 -3.209 -10.563 -10.179 347 HG3 PRO 50 2HG PRO 50 -3.405 -11.514 -11.663 348 HD2 PRO 50 1HD PRO 50 -2.638 -12.621 -9.314 349 HD3 PRO 50 2HD PRO 50 -2.083 -13.234 -10.884 350 H GLU 51 H GLU 51 0.067 -8.236 -11.097 351 HA GLU 51 HA GLU 51 0.167 -7.448 -8.263 352 HB2 GLU 51 1HB GLU 51 2.239 -7.015 -9.456 353 HB3 GLU 51 2HB GLU 51 1.371 -6.132 -10.703 354 HG2 GLU 51 1HG GLU 51 1.129 -5.201 -7.895 355 HG3 GLU 51 2HG GLU 51 2.636 -4.897 -8.756 356 H LYS 52 H LYS 52 -1.487 -6.329 -7.498 357 HA LYS 52 HA LYS 52 -3.336 -5.051 -9.374 358 HB2 LYS 52 1HB LYS 52 -3.605 -5.771 -6.452 359 HB3 LYS 52 2HB LYS 52 -4.834 -4.901 -7.361 360 HG2 LYS 52 1HG LYS 52 -3.819 -7.609 -8.176 361 HG3 LYS 52 2HG LYS 52 -5.192 -7.379 -7.090 362 HD2 LYS 52 1HD LYS 52 -6.445 -6.263 -8.774 363 HD3 LYS 52 2HD LYS 52 -5.035 -6.135 -9.829 364 HE2 LYS 52 1HE LYS 52 -4.999 -8.546 -10.111 365 HE3 LYS 52 2HE LYS 52 -6.350 -8.718 -8.991 366 HZ1 LYS 52 3HZ LYS 52 -7.751 -8.397 -10.656 367 HZ2 LYS 52 1HZ LYS 52 -6.456 -8.312 -11.740 368 HZ3 LYS 52 2HZ LYS 52 -7.051 -6.902 -11.022 369 H SER 53 H SER 53 -4.296 -2.952 -8.716 370 HA SER 53 HA SER 53 -2.562 -1.277 -7.069 371 HB2 SER 53 1HB SER 53 -2.351 0.437 -8.794 372 HB3 SER 53 2HB SER 53 -1.690 -1.088 -9.381 373 HG SER 53 HG SER 53 -3.046 -0.057 -10.925 374 H VAL 54 H VAL 54 -3.667 0.189 -5.913 375 HA VAL 54 HA VAL 54 -6.468 0.715 -6.667 376 HB VAL 54 HB VAL 54 -7.018 0.844 -4.258 377 HG11 VAL 54 1HG1 VAL 54 -7.684 -1.176 -5.131 378 HG12 VAL 54 2HG1 VAL 54 -6.036 -1.680 -5.509 379 HG13 VAL 54 3HG1 VAL 54 -6.607 -1.706 -3.840 380 HG21 VAL 54 3HG2 VAL 54 -4.708 1.330 -3.485 381 HG22 VAL 54 1HG2 VAL 54 -5.491 0.031 -2.585 382 HG23 VAL 54 2HG2 VAL 54 -4.284 -0.351 -3.813 383 H SER 55 H SER 55 -7.092 2.794 -6.690 384 HA SER 55 HA SER 55 -5.096 4.832 -6.304 385 HB2 SER 55 1HB SER 55 -6.949 4.740 -8.118 386 HB3 SER 55 2HB SER 55 -8.002 5.382 -6.858 387 HG SER 55 HG SER 55 -5.862 6.859 -6.773 388 H VAL 56 H VAL 56 -5.097 6.480 -4.797 389 HA VAL 56 HA VAL 56 -7.107 6.384 -2.665 390 HB VAL 56 HB VAL 56 -4.122 6.321 -2.209 391 HG11 VAL 56 1HG1 VAL 56 -5.429 7.885 -0.711 392 HG12 VAL 56 2HG1 VAL 56 -6.255 6.453 -0.093 393 HG13 VAL 56 3HG1 VAL 56 -4.510 6.619 0.103 394 HG21 VAL 56 3HG2 VAL 56 -5.692 4.388 -0.758 395 HG22 VAL 56 1HG2 VAL 56 -5.976 4.253 -2.493 396 HG23 VAL 56 2HG2 VAL 56 -4.336 4.134 -1.856 397 HA PRO 57 HA PRO 57 -6.978 10.762 -3.231 398 HB2 PRO 57 1HB PRO 57 -8.327 11.466 -0.983 399 HB3 PRO 57 2HB PRO 57 -9.120 10.769 -2.401 400 HG2 PRO 57 1HG PRO 57 -8.278 9.438 0.145 401 HG3 PRO 57 2HG PRO 57 -9.782 9.244 -0.775 402 HD2 PRO 57 1HD PRO 57 -7.746 7.465 -0.921 403 HD3 PRO 57 2HD PRO 57 -8.814 7.808 -2.296 404 H GLY 58 H GLY 58 -5.183 11.922 -2.933 405 HA2 GLY 58 1HA GLY 58 -3.177 11.597 -1.138 406 HA3 GLY 58 2HA GLY 58 -3.595 13.167 -1.807 407 H ALA 59 H ALA 59 -6.163 13.390 -0.574 408 HA ALA 59 HA ALA 59 -5.691 14.801 1.675 409 HB1 ALA 59 3HB ALA 59 -7.882 15.032 1.341 410 HB2 ALA 59 1HB ALA 59 -8.007 13.457 0.557 411 HB3 ALA 59 2HB ALA 59 -8.082 13.576 2.315 412 H ARG 60 H ARG 60 -6.240 11.296 1.558 413 HA ARG 60 HA ARG 60 -5.417 11.127 4.376 414 HB2 ARG 60 1HB ARG 60 -6.478 8.924 4.401 415 HB3 ARG 60 2HB ARG 60 -7.614 10.161 3.881 416 HG2 ARG 60 1HG ARG 60 -6.790 9.416 1.487 417 HG3 ARG 60 2HG ARG 60 -6.409 7.925 2.350 418 HD2 ARG 60 1HD ARG 60 -8.621 7.729 1.456 419 HD3 ARG 60 2HD ARG 60 -8.745 7.899 3.207 420 HE ARG 60 HE ARG 60 -9.002 10.441 2.310 421 HH11 ARG 60 1HH1 ARG 60 -10.596 7.445 1.532 422 HH12 ARG 60 2HH1 ARG 60 -12.101 8.201 1.124 423 HH21 ARG 60 1HH2 ARG 60 -10.978 11.447 1.775 424 HH22 ARG 60 2HH2 ARG 60 -12.317 10.477 1.261 425 H SER 61 H SER 61 -4.061 9.274 4.981 426 HA SER 61 HA SER 61 -2.230 8.484 2.811 427 HB2 SER 61 1HB SER 61 -0.399 8.538 4.519 428 HB3 SER 61 2HB SER 61 -1.094 10.123 4.176 429 HG SER 61 HG SER 61 -2.532 9.249 6.116 430 H HIS 62 H HIS 62 -4.535 7.058 3.857 431 HA HIS 62 HA HIS 62 -3.200 4.555 4.467 432 HB2 HIS 62 1HB HIS 62 -5.508 5.197 6.241 433 HB3 HIS 62 2HB HIS 62 -4.127 4.143 6.532 434 HD1 HIS 62 1HD HIS 62 -5.409 7.481 7.238 435 HD2 HIS 62 2HD HIS 62 -1.695 5.621 7.179 436 HE1 HIS 62 1HE HIS 62 -3.877 8.998 8.533 437 HE2 HIS 62 2HE HIS 62 -1.617 7.894 8.411 438 H VAL 63 H VAL 63 -4.434 2.723 3.966 439 HA VAL 63 HA VAL 63 -7.173 2.928 3.148 440 HB VAL 63 HB VAL 63 -5.838 3.874 1.186 441 HG11 VAL 63 1HG1 VAL 63 -4.909 2.112 -0.333 442 HG12 VAL 63 2HG1 VAL 63 -3.976 2.383 1.141 443 HG13 VAL 63 3HG1 VAL 63 -5.033 0.977 1.010 444 HG21 VAL 63 3HG2 VAL 63 -8.115 2.226 1.308 445 HG22 VAL 63 1HG2 VAL 63 -7.690 3.396 0.058 446 HG23 VAL 63 2HG2 VAL 63 -7.198 1.710 -0.108 447 H THR 64 H THR 64 -8.114 0.892 2.658 448 HA THR 64 HA THR 64 -6.505 -1.371 3.622 449 HB THR 64 HB THR 64 -9.515 -1.257 3.411 450 HG1 THR 64 1HG THR 64 -9.291 -0.943 5.776 451 HG21 THR 64 3HG2 THR 64 -8.598 -2.956 5.473 452 HG22 THR 64 1HG2 THR 64 -7.637 -3.322 4.041 453 HG23 THR 64 2HG2 THR 64 -9.397 -3.410 3.968 454 H LEU 65 H LEU 65 -6.421 -3.302 2.499 455 HA LEU 65 HA LEU 65 -7.333 -3.158 -0.296 456 HB2 LEU 65 1HB LEU 65 -5.135 -4.851 0.880 457 HB3 LEU 65 2HB LEU 65 -5.559 -4.724 -0.826 458 HG LEU 65 HG LEU 65 -4.703 -2.279 0.663 459 HD11 LEU 65 1HD1 LEU 65 -3.032 -4.623 0.021 460 HD12 LEU 65 2HD1 LEU 65 -2.814 -3.369 1.241 461 HD13 LEU 65 3HD1 LEU 65 -2.382 -3.049 -0.439 462 HD21 LEU 65 3HD2 LEU 65 -5.222 -1.583 -1.420 463 HD22 LEU 65 1HD2 LEU 65 -5.000 -3.183 -2.128 464 HD23 LEU 65 2HD2 LEU 65 -3.599 -2.168 -1.787 465 HA PRO 66 HA PRO 66 -10.096 -6.369 1.367 466 HB2 PRO 66 1HB PRO 66 -11.979 -6.030 -0.559 467 HB3 PRO 66 2HB PRO 66 -11.877 -5.003 0.876 468 HG2 PRO 66 1HG PRO 66 -10.883 -4.485 -1.900 469 HG3 PRO 66 2HG PRO 66 -11.726 -3.388 -0.791 470 HD2 PRO 66 1HD PRO 66 -9.044 -3.314 -1.154 471 HD3 PRO 66 2HD PRO 66 -9.809 -2.913 0.397 472 H ASP 67 H ASP 67 -11.280 -8.174 0.081 473 HA ASP 67 HA ASP 67 -11.084 -10.071 -1.159 474 HB2 ASP 67 1HB ASP 67 -9.991 -8.013 -3.067 475 HB3 ASP 67 2HB ASP 67 -10.107 -9.713 -3.513 476 H LEU 68 H LEU 68 -9.284 -10.097 0.756 477 HA LEU 68 HA LEU 68 -6.771 -10.930 -0.537 478 HB2 LEU 68 1HB LEU 68 -7.306 -9.570 2.070 479 HB3 LEU 68 2HB LEU 68 -5.864 -10.564 1.874 480 HG LEU 68 HG LEU 68 -6.568 -8.116 0.256 481 HD11 LEU 68 1HD1 LEU 68 -5.877 -7.284 2.297 482 HD12 LEU 68 2HD1 LEU 68 -4.363 -7.369 1.397 483 HD13 LEU 68 3HD1 LEU 68 -4.757 -8.616 2.580 484 HD21 LEU 68 3HD2 LEU 68 -4.239 -8.395 -0.606 485 HD22 LEU 68 1HD2 LEU 68 -5.370 -9.637 -1.141 486 HD23 LEU 68 2HD2 LEU 68 -4.213 -9.993 0.142 487 H GLN 69 H GLN 69 -5.557 -12.596 0.796 488 HA GLN 69 HA GLN 69 -7.474 -14.640 1.682 489 HB2 GLN 69 1HB GLN 69 -4.744 -14.797 0.439 490 HB3 GLN 69 2HB GLN 69 -5.409 -16.164 1.323 491 HG2 GLN 69 1HG GLN 69 -6.703 -14.837 -1.048 492 HG3 GLN 69 2HG GLN 69 -5.766 -16.330 -1.097 493 HE21 GLN 69 1HE2 GLN 69 -6.575 -17.895 0.755 494 HE22 GLN 69 2HE2 GLN 69 -8.280 -18.173 0.736 495 H ALA 70 H ALA 70 -6.140 -16.317 3.174 496 HA ALA 70 HA ALA 70 -5.252 -14.701 5.461 497 HB1 ALA 70 3HB ALA 70 -5.727 -16.836 6.752 498 HB2 ALA 70 1HB ALA 70 -7.120 -15.992 6.075 499 HB3 ALA 70 2HB ALA 70 -6.489 -17.433 5.278 500 H ALA 71 H ALA 71 -3.529 -15.569 6.820 501 HA ALA 71 HA ALA 71 -1.302 -16.080 6.991 502 HB1 ALA 71 3HB ALA 71 -0.818 -18.479 6.439 503 HB2 ALA 71 1HB ALA 71 -2.201 -18.221 7.504 504 HB3 ALA 71 2HB ALA 71 -2.457 -18.591 5.798 505 H THR 72 H THR 72 -1.610 -14.439 4.858 506 HA THR 72 HA THR 72 0.563 -15.286 3.148 507 HB THR 72 HB THR 72 -2.127 -14.611 1.939 508 HG1 THR 72 1HG THR 72 -2.075 -16.759 1.232 509 HG21 THR 72 3HG2 THR 72 0.328 -14.032 0.887 510 HG22 THR 72 1HG2 THR 72 -1.132 -14.321 -0.058 511 HG23 THR 72 2HG2 THR 72 0.015 -15.633 0.217 512 H LYS 73 H LYS 73 1.876 -13.594 3.305 513 HA LYS 73 HA LYS 73 0.996 -10.960 3.902 514 HB2 LYS 73 1HB LYS 73 3.306 -10.323 3.723 515 HB3 LYS 73 2HB LYS 73 3.230 -11.890 4.517 516 HG2 LYS 73 1HG LYS 73 3.724 -11.615 1.570 517 HG3 LYS 73 2HG LYS 73 5.028 -11.568 2.758 518 HD2 LYS 73 1HD LYS 73 3.837 -13.787 3.593 519 HD3 LYS 73 2HD LYS 73 3.298 -13.833 1.913 520 HE2 LYS 73 1HE LYS 73 6.160 -13.625 2.846 521 HE3 LYS 73 2HE LYS 73 5.380 -15.083 2.234 522 HZ1 LYS 73 3HZ LYS 73 5.311 -14.253 0.099 523 HZ2 LYS 73 1HZ LYS 73 6.794 -13.651 0.648 524 HZ3 LYS 73 2HZ LYS 73 5.440 -12.640 0.591 525 H TYR 74 H TYR 74 1.943 -9.095 2.465 526 HA TYR 74 HA TYR 74 1.707 -9.593 -0.380 527 HB2 TYR 74 1HB TYR 74 -0.323 -7.989 1.163 528 HB3 TYR 74 2HB TYR 74 -0.045 -7.729 -0.555 529 HD1 TYR 74 2HD TYR 74 -0.913 -10.400 1.893 530 HD2 TYR 74 1HD TYR 74 -1.190 -9.017 -2.121 531 HE1 TYR 74 2HE TYR 74 -2.460 -12.240 1.372 532 HE2 TYR 74 1HE TYR 74 -2.739 -10.852 -2.653 533 HH TYR 74 HH TYR 74 -3.958 -12.531 -1.826 534 H ARG 75 H ARG 75 3.183 -8.400 -1.377 535 HA ARG 75 HA ARG 75 4.653 -6.385 0.007 536 HB2 ARG 75 1HB ARG 75 5.338 -8.029 -1.956 537 HB3 ARG 75 2HB ARG 75 4.828 -6.676 -2.957 538 HG2 ARG 75 1HG ARG 75 6.391 -5.255 -1.521 539 HG3 ARG 75 2HG ARG 75 7.058 -6.789 -0.961 540 HD2 ARG 75 1HD ARG 75 6.808 -6.089 -3.875 541 HD3 ARG 75 2HD ARG 75 8.234 -5.687 -2.919 542 HE ARG 75 HE ARG 75 7.954 -8.328 -2.474 543 HH11 ARG 75 1HH1 ARG 75 8.010 -6.418 -5.385 544 HH12 ARG 75 2HH1 ARG 75 8.693 -7.681 -6.355 545 HH21 ARG 75 1HH2 ARG 75 8.852 -9.998 -3.741 546 HH22 ARG 75 2HH2 ARG 75 9.171 -9.717 -5.420 547 H VAL 76 H VAL 76 3.404 -4.638 0.522 548 HA VAL 76 HA VAL 76 1.748 -3.360 -1.483 549 HB VAL 76 HB VAL 76 2.352 -2.542 1.362 550 HG11 VAL 76 1HG1 VAL 76 -0.012 -1.540 -0.132 551 HG12 VAL 76 2HG1 VAL 76 0.919 -0.778 1.159 552 HG13 VAL 76 3HG1 VAL 76 1.558 -0.820 -0.485 553 HG21 VAL 76 3HG2 VAL 76 0.380 -4.355 0.132 554 HG22 VAL 76 1HG2 VAL 76 1.055 -4.346 1.761 555 HG23 VAL 76 2HG2 VAL 76 -0.252 -3.239 1.342 556 H LEU 77 H LEU 77 2.572 -1.993 -2.911 557 HA LEU 77 HA LEU 77 4.975 -0.459 -2.186 558 HB2 LEU 77 1HB LEU 77 3.958 -1.606 -4.731 559 HB3 LEU 77 2HB LEU 77 4.886 -0.109 -4.813 560 HG LEU 77 HG LEU 77 6.578 -1.541 -3.336 561 HD11 LEU 77 1HD1 LEU 77 5.003 -3.569 -4.906 562 HD12 LEU 77 2HD1 LEU 77 5.296 -3.537 -3.167 563 HD13 LEU 77 3HD1 LEU 77 6.626 -3.860 -4.279 564 HD21 LEU 77 3HD2 LEU 77 7.745 -2.108 -5.428 565 HD22 LEU 77 1HD2 LEU 77 7.128 -0.455 -5.430 566 HD23 LEU 77 2HD2 LEU 77 6.284 -1.713 -6.334 567 H VAL 78 H VAL 78 4.456 1.509 -1.487 568 HA VAL 78 HA VAL 78 2.259 2.948 -2.819 569 HB VAL 78 HB VAL 78 3.499 3.690 -0.174 570 HG11 VAL 78 1HG1 VAL 78 2.034 5.262 -1.654 571 HG12 VAL 78 2HG1 VAL 78 0.702 4.286 -1.031 572 HG13 VAL 78 3HG1 VAL 78 1.749 5.166 0.084 573 HG21 VAL 78 3HG2 VAL 78 2.435 2.036 0.861 574 HG22 VAL 78 1HG2 VAL 78 0.910 2.502 0.108 575 HG23 VAL 78 2HG2 VAL 78 1.990 1.375 -0.712 576 H SER 79 H SER 79 2.611 4.873 -3.796 577 HA SER 79 HA SER 79 5.236 6.146 -3.508 578 HB2 SER 79 1HB SER 79 3.948 5.515 -6.175 579 HB3 SER 79 2HB SER 79 5.451 6.407 -5.938 580 HG SER 79 HG SER 79 4.962 3.695 -5.820 581 H ALA 80 H ALA 80 5.086 8.278 -3.262 582 HA ALA 80 HA ALA 80 2.515 9.556 -3.357 583 HB1 ALA 80 3HB ALA 80 3.439 10.955 -1.899 584 HB2 ALA 80 1HB ALA 80 4.915 9.994 -2.001 585 HB3 ALA 80 2HB ALA 80 4.704 11.401 -3.044 586 H ILE 81 H ILE 81 1.681 10.803 -4.918 587 HA ILE 81 HA ILE 81 3.289 11.221 -7.332 588 HB ILE 81 HB ILE 81 0.311 11.320 -6.871 589 HG12 ILE 81 1HG1 ILE 81 0.223 9.384 -8.268 590 HG13 ILE 81 2HG1 ILE 81 1.908 9.570 -8.743 591 HG21 ILE 81 1HG2 ILE 81 1.788 11.859 -9.443 592 HG22 ILE 81 2HG2 ILE 81 0.040 11.843 -9.214 593 HG23 ILE 81 3HG2 ILE 81 1.019 13.089 -8.440 594 HD11 ILE 81 3HD1 ILE 81 1.170 9.091 -5.887 595 HD12 ILE 81 1HD1 ILE 81 1.287 7.757 -7.035 596 HD13 ILE 81 2HD1 ILE 81 2.694 8.772 -6.717 597 H TYR 82 H TYR 82 3.839 13.194 -8.059 598 HA TYR 82 HA TYR 82 2.718 15.537 -6.670 599 HB2 TYR 82 1HB TYR 82 5.592 15.112 -7.513 600 HB3 TYR 82 2HB TYR 82 4.944 16.608 -6.851 601 HD1 TYR 82 1HD TYR 82 4.249 16.720 -4.486 602 HD2 TYR 82 2HD TYR 82 6.099 13.244 -6.099 603 HE1 TYR 82 1HE TYR 82 4.720 15.921 -2.208 604 HE2 TYR 82 2HE TYR 82 6.573 12.435 -3.825 605 HH TYR 82 HH TYR 82 5.437 14.196 -0.973 606 H ALA 83 H ALA 83 2.930 17.570 -7.903 607 HA ALA 83 HA ALA 83 1.739 17.497 -10.363 608 HB1 ALA 83 3HB ALA 83 2.346 19.486 -8.746 609 HB2 ALA 83 1HB ALA 83 3.689 19.689 -9.872 610 HB3 ALA 83 2HB ALA 83 2.027 19.763 -10.458 611 H ALA 84 H ALA 84 5.222 17.632 -9.694 612 HA ALA 84 HA ALA 84 5.955 17.628 -12.463 613 HB1 ALA 84 3HB ALA 84 8.240 16.934 -11.294 614 HB2 ALA 84 1HB ALA 84 7.634 18.590 -11.273 615 HB3 ALA 84 2HB ALA 84 7.393 17.544 -9.873 616 H GLY 85 H GLY 85 6.248 15.197 -9.862 617 HA2 GLY 85 1HA GLY 85 5.484 13.051 -11.560 618 HA3 GLY 85 2HA GLY 85 7.233 13.101 -11.387 619 H ARG 86 H ARG 86 5.808 10.908 -10.542 620 HA ARG 86 HA ARG 86 5.328 11.121 -7.698 621 HB2 ARG 86 1HB ARG 86 4.841 8.699 -7.844 622 HB3 ARG 86 2HB ARG 86 3.906 9.649 -8.991 623 HG2 ARG 86 1HG ARG 86 5.078 8.850 -10.814 624 HG3 ARG 86 2HG ARG 86 6.475 8.387 -9.840 625 HD2 ARG 86 1HD ARG 86 4.886 6.701 -8.732 626 HD3 ARG 86 2HD ARG 86 3.825 7.007 -10.107 627 HE ARG 86 HE ARG 86 6.332 5.562 -10.122 628 HH11 ARG 86 1HH1 ARG 86 3.883 7.174 -11.999 629 HH12 ARG 86 2HH1 ARG 86 4.283 6.350 -13.469 630 HH21 ARG 86 1HH2 ARG 86 6.867 4.470 -12.052 631 HH22 ARG 86 2HH2 ARG 86 5.980 4.811 -13.498 632 H SER 87 H SER 87 6.541 10.174 -6.068 633 HA SER 87 HA SER 87 9.362 9.970 -6.612 634 HB2 SER 87 1HB SER 87 9.616 9.770 -4.199 635 HB3 SER 87 2HB SER 87 8.485 11.073 -4.564 636 HG SER 87 HG SER 87 7.384 8.552 -4.207 637 H GLU 88 H GLU 88 10.553 8.124 -5.368 638 HA GLU 88 HA GLU 88 10.189 5.754 -6.714 639 HB2 GLU 88 1HB GLU 88 11.778 4.792 -5.273 640 HB3 GLU 88 2HB GLU 88 12.177 6.504 -5.295 641 HG2 GLU 88 1HG GLU 88 11.187 6.840 -3.156 642 HG3 GLU 88 2HG GLU 88 10.511 5.212 -3.152 643 H ALA 89 H ALA 89 9.833 3.568 -5.484 644 HA ALA 89 HA ALA 89 7.275 3.788 -4.034 645 HB1 ALA 89 3HB ALA 89 6.971 2.830 -6.246 646 HB2 ALA 89 1HB ALA 89 8.187 1.600 -5.899 647 HB3 ALA 89 2HB ALA 89 6.668 1.617 -5.003 648 H VAL 90 H VAL 90 7.174 2.928 -2.059 649 HA VAL 90 HA VAL 90 9.477 1.386 -1.103 650 HB VAL 90 HB VAL 90 8.468 1.835 1.176 651 HG11 VAL 90 1HG1 VAL 90 10.304 3.170 -0.075 652 HG12 VAL 90 2HG1 VAL 90 9.061 4.415 -0.219 653 HG13 VAL 90 3HG1 VAL 90 9.575 3.860 1.375 654 HG21 VAL 90 3HG2 VAL 90 6.539 2.935 1.424 655 HG22 VAL 90 1HG2 VAL 90 6.993 4.159 0.239 656 HG23 VAL 90 2HG2 VAL 90 6.277 2.639 -0.295 657 H SER 91 H SER 91 9.326 -0.719 -0.692 658 HA SER 91 HA SER 91 6.758 -2.039 -1.000 659 HB2 SER 91 1HB SER 91 7.960 -4.041 -1.282 660 HB3 SER 91 2HB SER 91 8.999 -2.822 -2.020 661 HG SER 91 HG SER 91 10.357 -3.890 -0.723 662 H ALA 92 H ALA 92 6.060 -3.707 0.521 663 HA ALA 92 HA ALA 92 7.119 -3.779 3.174 664 HB1 ALA 92 3HB ALA 92 6.052 -1.651 3.408 665 HB2 ALA 92 1HB ALA 92 4.557 -2.266 2.703 666 HB3 ALA 92 2HB ALA 92 5.091 -2.844 4.282 667 H THR 93 H THR 93 6.855 -5.838 3.700 668 HA THR 93 HA THR 93 4.600 -7.336 2.597 669 HB THR 93 HB THR 93 5.808 -9.342 3.465 670 HG1 THR 93 1HG THR 93 7.108 -8.661 5.069 671 HG21 THR 93 3HG2 THR 93 6.118 -8.465 1.149 672 HG22 THR 93 1HG2 THR 93 7.511 -9.352 1.768 673 HG23 THR 93 2HG2 THR 93 7.538 -7.589 1.721 674 H GLY 94 H GLY 94 2.860 -7.795 3.774 675 HA2 GLY 94 1HA GLY 94 3.135 -7.879 6.710 676 HA3 GLY 94 2HA GLY 94 1.833 -6.970 5.957 677 H GLN 95 H GLN 95 2.785 -9.958 7.194 678 HA GLN 95 HA GLN 95 1.264 -11.768 5.709 679 HB2 GLN 95 1HB GLN 95 2.980 -12.113 7.673 680 HB3 GLN 95 2HB GLN 95 1.532 -12.089 8.670 681 HG2 GLN 95 1HG GLN 95 0.670 -14.015 7.675 682 HG3 GLN 95 2HG GLN 95 1.757 -13.894 6.292 683 HE21 GLN 95 1HE2 GLN 95 1.243 -16.061 8.263 684 HE22 GLN 95 2HE2 GLN 95 2.799 -16.470 8.894 685 H THR 96 H THR 96 -0.850 -12.132 5.530 686 HA THR 96 HA THR 96 -2.746 -10.401 6.726 687 HB THR 96 HB THR 96 -4.437 -12.041 5.759 688 HG1 THR 96 1HG THR 96 -3.217 -13.410 4.096 689 HG21 THR 96 3HG2 THR 96 -3.441 -11.554 3.326 690 HG22 THR 96 1HG2 THR 96 -2.415 -10.471 4.264 691 HG23 THR 96 2HG2 THR 96 -4.169 -10.295 4.323 692 H ALA 97 H ALA 97 -4.829 -11.537 7.696 693 HA ALA 97 HA ALA 97 -3.966 -12.682 10.197 694 HB1 ALA 97 3HB ALA 97 -6.202 -12.374 10.940 695 HB2 ALA 97 1HB ALA 97 -5.779 -10.958 9.978 696 HB3 ALA 97 2HB ALA 97 -6.798 -12.222 9.287 697 H CYS 98 H CYS 98 -4.841 -14.645 11.099 698 HA CYS 98 HA CYS 98 -5.339 -16.680 9.033 699 HB2 CYS 98 1HB CYS 98 -4.044 -16.863 11.752 700 HB3 CYS 98 2HB CYS 98 -4.552 -18.286 10.851 701 HG CYS 98 HG CYS 98 -2.786 -16.512 8.796 702 HA PRO 99 HA PRO 99 -9.346 -17.487 10.631 703 HB2 PRO 99 1HB PRO 99 -9.582 -20.136 10.086 704 HB3 PRO 99 2HB PRO 99 -9.640 -18.889 8.835 705 HG2 PRO 99 1HG PRO 99 -7.356 -20.640 9.661 706 HG3 PRO 99 2HG PRO 99 -7.888 -20.190 8.030 707 HD2 PRO 99 1HD PRO 99 -5.791 -18.996 9.259 708 HD3 PRO 99 2HD PRO 99 -6.847 -18.136 8.120 709 H SER 100 H SER 100 -6.572 -18.672 12.068 710 HA SER 100 HA SER 100 -7.782 -20.442 13.980 711 HB2 SER 100 1HB SER 100 -5.049 -19.316 13.537 712 HB3 SER 100 2HB SER 100 -5.437 -19.977 15.125 713 HG SER 100 HG SER 100 -4.581 -21.385 13.246 714 H GLY 101 H GLY 101 -8.197 -20.059 16.152 715 HA2 GLY 101 1HA GLY 101 -7.823 -18.406 18.023 716 HA3 GLY 101 2HA GLY 101 -8.385 -17.201 16.873 717 HA PRO 102 HA PRO 102 -11.974 -18.750 19.433 718 HB2 PRO 102 1HB PRO 102 -12.781 -16.296 20.268 719 HB3 PRO 102 2HB PRO 102 -11.579 -17.258 21.136 720 HG2 PRO 102 1HG PRO 102 -11.170 -14.988 19.228 721 HG3 PRO 102 2HG PRO 102 -10.355 -15.316 20.769 722 HD2 PRO 102 1HD PRO 102 -9.231 -15.894 18.375 723 HD3 PRO 102 2HD PRO 102 -8.930 -16.865 19.830 724 H SER 103 H SER 103 -13.710 -19.174 18.237 725 HA SER 103 HA SER 103 -14.619 -17.149 16.299 726 HB2 SER 103 1HB SER 103 -14.741 -20.165 16.194 727 HB3 SER 103 2HB SER 103 -15.670 -19.134 15.107 728 HG SER 103 HG SER 103 -13.305 -19.941 14.650 729 H SER 104 H SER 104 -16.540 -16.265 16.653 730 HA SER 104 HA SER 104 -18.595 -15.837 17.529 731 HB2 SER 104 1HB SER 104 -19.128 -17.902 16.205 732 HB3 SER 104 2HB SER 104 -18.889 -18.845 17.676 733 HG SER 104 HG SER 104 -20.857 -18.353 18.177 734 H GLY 105 H GLY 105 -16.491 -15.772 19.346 735 HA2 GLY 105 1HA GLY 105 -17.941 -16.399 21.810 736 HA3 GLY 105 2HA GLY 105 -16.330 -17.076 21.625 Start of MODEL 3 1 H1 GLY 1 H GLY 1 18.553 12.296 -14.038 2 HA2 GLY 1 1HA GLY 1 17.099 12.641 -12.208 3 HA3 GLY 1 2HA GLY 1 18.044 11.493 -11.271 4 H SER 2 H SER 2 17.126 14.331 -10.792 5 HA SER 2 HA SER 2 19.544 15.886 -10.700 6 HB2 SER 2 1HB SER 2 16.699 16.303 -9.893 7 HB3 SER 2 2HB SER 2 17.931 17.336 -9.169 8 HG SER 2 HG SER 2 18.104 18.358 -10.993 9 H SER 3 H SER 3 20.800 16.377 -8.941 10 HA SER 3 HA SER 3 20.325 14.744 -6.535 11 HB2 SER 3 1HB SER 3 22.904 15.642 -7.827 12 HB3 SER 3 2HB SER 3 22.833 14.963 -6.201 13 HG SER 3 HG SER 3 22.968 13.649 -8.465 14 H GLY 4 H GLY 4 20.782 15.653 -4.490 15 HA2 GLY 4 1HA GLY 4 21.312 17.406 -3.009 16 HA3 GLY 4 2HA GLY 4 21.357 18.514 -4.372 17 H SER 5 H SER 5 19.658 19.807 -4.693 18 HA SER 5 HA SER 5 17.720 20.354 -2.919 19 HB2 SER 5 1HB SER 5 16.338 21.236 -4.809 20 HB3 SER 5 2HB SER 5 18.028 21.738 -4.878 21 HG SER 5 HG SER 5 16.754 20.673 -6.808 22 H SER 6 H SER 6 16.074 19.317 -2.024 23 HA SER 6 HA SER 6 15.160 16.811 -3.190 24 HB2 SER 6 1HB SER 6 15.740 17.064 -0.734 25 HB3 SER 6 2HB SER 6 14.282 18.042 -0.574 26 HG SER 6 HG SER 6 13.172 16.160 -1.516 27 H GLY 7 H GLY 7 13.035 16.362 -3.756 28 HA2 GLY 7 1HA GLY 7 11.176 18.647 -3.798 29 HA3 GLY 7 2HA GLY 7 11.493 17.745 -5.273 30 H ARG 8 H ARG 8 11.137 15.312 -5.045 31 HA ARG 8 HA ARG 8 8.502 14.945 -3.855 32 HB2 ARG 8 1HB ARG 8 10.088 13.124 -5.675 33 HB3 ARG 8 2HB ARG 8 8.417 12.884 -5.181 34 HG2 ARG 8 1HG ARG 8 7.630 14.563 -6.536 35 HG3 ARG 8 2HG ARG 8 9.176 15.414 -6.560 36 HD2 ARG 8 1HD ARG 8 8.647 12.764 -7.899 37 HD3 ARG 8 2HD ARG 8 8.607 14.326 -8.716 38 HE ARG 8 HE ARG 8 11.075 13.821 -7.339 39 HH11 ARG 8 1HH1 ARG 8 9.299 13.322 -10.292 40 HH12 ARG 8 2HH1 ARG 8 10.719 13.110 -11.263 41 HH21 ARG 8 1HH2 ARG 8 12.951 13.543 -8.606 42 HH22 ARG 8 2HH2 ARG 8 12.795 13.235 -10.303 43 H SER 9 H SER 9 8.032 13.530 -2.242 44 HA SER 9 HA SER 9 10.252 11.951 -1.128 45 HB2 SER 9 1HB SER 9 9.879 14.010 0.218 46 HB3 SER 9 2HB SER 9 8.217 13.494 0.499 47 HG SER 9 HG SER 9 8.896 12.119 1.942 48 HA PRO 10 HA PRO 10 7.184 8.756 -1.635 49 HB2 PRO 10 1HB PRO 10 8.747 6.735 -0.717 50 HB3 PRO 10 2HB PRO 10 8.916 7.420 -2.338 51 HG2 PRO 10 1HG PRO 10 10.519 7.975 0.129 52 HG3 PRO 10 2HG PRO 10 11.076 7.736 -1.538 53 HD2 PRO 10 1HD PRO 10 10.827 10.191 -0.422 54 HD3 PRO 10 2HD PRO 10 10.561 9.897 -2.153 55 HA PRO 11 HA PRO 11 5.410 8.283 2.366 56 HB2 PRO 11 1HB PRO 11 4.138 5.902 2.080 57 HB3 PRO 11 2HB PRO 11 3.576 7.390 1.309 58 HG2 PRO 11 1HG PRO 11 5.176 5.143 0.147 59 HG3 PRO 11 2HG PRO 11 3.813 6.030 -0.562 60 HD2 PRO 11 1HD PRO 11 6.388 6.550 -1.217 61 HD3 PRO 11 2HD PRO 11 5.136 7.808 -1.194 62 H SER 12 H SER 12 6.429 7.791 4.195 63 HA SER 12 HA SER 12 7.922 5.254 4.341 64 HB2 SER 12 1HB SER 12 8.444 7.768 5.943 65 HB3 SER 12 2HB SER 12 9.436 6.311 5.906 66 HG SER 12 HG SER 12 8.942 8.061 3.724 67 H ASN 13 H ASN 13 8.290 4.713 6.824 68 HA ASN 13 HA ASN 13 7.374 3.928 8.752 69 HB2 ASN 13 1HB ASN 13 5.477 6.251 8.351 70 HB3 ASN 13 2HB ASN 13 5.579 5.284 9.819 71 HD21 ASN 13 1HD2 ASN 13 7.392 7.427 7.701 72 HD22 ASN 13 2HD2 ASN 13 8.478 8.006 8.914 73 H LEU 14 H LEU 14 6.589 2.760 6.294 74 HA LEU 14 HA LEU 14 3.822 2.356 6.052 75 HB2 LEU 14 1HB LEU 14 6.262 0.939 5.129 76 HB3 LEU 14 2HB LEU 14 4.730 0.072 5.050 77 HG LEU 14 HG LEU 14 5.246 2.737 3.735 78 HD11 LEU 14 1HD1 LEU 14 5.610 -0.066 2.786 79 HD12 LEU 14 2HD1 LEU 14 6.603 1.361 2.492 80 HD13 LEU 14 3HD1 LEU 14 5.063 1.171 1.653 81 HD21 LEU 14 3HD2 LEU 14 3.190 2.081 2.457 82 HD22 LEU 14 1HD2 LEU 14 2.923 2.448 4.162 83 HD23 LEU 14 2HD2 LEU 14 2.968 0.771 3.617 84 H ALA 15 H ALA 15 2.418 1.235 7.231 85 HA ALA 15 HA ALA 15 3.430 -0.894 8.993 86 HB1 ALA 15 3HB ALA 15 2.791 1.421 10.066 87 HB2 ALA 15 1HB ALA 15 1.153 0.783 9.920 88 HB3 ALA 15 2HB ALA 15 2.362 -0.097 10.854 89 H LEU 16 H LEU 16 2.612 -2.713 8.174 90 HA LEU 16 HA LEU 16 -0.056 -2.710 6.991 91 HB2 LEU 16 1HB LEU 16 2.326 -4.465 6.852 92 HB3 LEU 16 2HB LEU 16 0.751 -5.234 6.660 93 HG LEU 16 HG LEU 16 0.300 -3.596 4.801 94 HD11 LEU 16 1HD1 LEU 16 2.241 -2.518 3.772 95 HD12 LEU 16 2HD1 LEU 16 3.251 -3.063 5.110 96 HD13 LEU 16 3HD1 LEU 16 1.947 -1.912 5.403 97 HD21 LEU 16 3HD2 LEU 16 1.823 -4.793 3.196 98 HD22 LEU 16 1HD2 LEU 16 0.842 -5.834 4.229 99 HD23 LEU 16 2HD2 LEU 16 2.550 -5.586 4.595 100 H ALA 17 H ALA 17 -1.733 -3.127 8.255 101 HA ALA 17 HA ALA 17 -1.364 -4.963 10.531 102 HB1 ALA 17 3HB ALA 17 -2.999 -2.491 10.206 103 HB2 ALA 17 1HB ALA 17 -3.547 -3.750 11.313 104 HB3 ALA 17 2HB ALA 17 -1.970 -2.994 11.547 105 H SER 18 H SER 18 -2.475 -6.808 10.533 106 HA SER 18 HA SER 18 -4.522 -7.191 8.464 107 HB2 SER 18 1HB SER 18 -2.524 -8.726 8.534 108 HB3 SER 18 2HB SER 18 -3.118 -9.325 10.083 109 HG SER 18 HG SER 18 -5.177 -9.571 8.663 110 H GLU 19 H GLU 19 -6.570 -7.100 9.075 111 HA GLU 19 HA GLU 19 -7.247 -7.827 11.849 112 HB2 GLU 19 1HB GLU 19 -8.918 -6.199 11.885 113 HB3 GLU 19 2HB GLU 19 -7.606 -5.411 11.019 114 HG2 GLU 19 1HG GLU 19 -8.712 -6.019 8.888 115 HG3 GLU 19 2HG GLU 19 -10.063 -6.665 9.818 116 H THR 20 H THR 20 -7.765 -8.494 8.528 117 HA THR 20 HA THR 20 -9.458 -10.739 9.196 118 HB THR 20 HB THR 20 -11.244 -9.221 8.952 119 HG1 THR 20 1HG THR 20 -11.409 -9.914 6.318 120 HG21 THR 20 3HG2 THR 20 -11.449 -7.574 7.225 121 HG22 THR 20 1HG2 THR 20 -10.030 -8.199 6.386 122 HG23 THR 20 2HG2 THR 20 -9.850 -7.398 7.947 123 HA PRO 21 HA PRO 21 -7.226 -12.492 5.832 124 HB2 PRO 21 1HB PRO 21 -8.868 -14.573 5.246 125 HB3 PRO 21 2HB PRO 21 -7.839 -14.537 6.683 126 HG2 PRO 21 1HG PRO 21 -10.756 -13.916 6.427 127 HG3 PRO 21 2HG PRO 21 -9.916 -14.847 7.680 128 HD2 PRO 21 1HD PRO 21 -10.672 -12.272 8.039 129 HD3 PRO 21 2HD PRO 21 -9.219 -12.954 8.796 130 H ASP 22 H ASP 22 -9.932 -10.707 5.463 131 HA ASP 22 HA ASP 22 -10.182 -11.292 2.588 132 HB2 ASP 22 1HB ASP 22 -12.132 -9.700 4.254 133 HB3 ASP 22 2HB ASP 22 -12.383 -10.375 2.647 134 H SER 23 H SER 23 -9.050 -9.038 4.862 135 HA SER 23 HA SER 23 -8.266 -7.224 2.747 136 HB2 SER 23 1HB SER 23 -9.231 -5.232 3.781 137 HB3 SER 23 2HB SER 23 -10.506 -6.387 3.393 138 HG SER 23 HG SER 23 -9.295 -6.128 5.947 139 H LEU 24 H LEU 24 -6.692 -5.637 3.459 140 HA LEU 24 HA LEU 24 -5.463 -6.231 6.059 141 HB2 LEU 24 1HB LEU 24 -4.300 -7.469 4.248 142 HB3 LEU 24 2HB LEU 24 -3.939 -5.926 3.476 143 HG LEU 24 HG LEU 24 -2.836 -5.450 5.856 144 HD11 LEU 24 1HD1 LEU 24 -1.943 -8.237 5.668 145 HD12 LEU 24 2HD1 LEU 24 -3.593 -8.025 6.255 146 HD13 LEU 24 3HD1 LEU 24 -2.254 -7.233 7.085 147 HD21 LEU 24 3HD2 LEU 24 -1.080 -5.270 4.516 148 HD22 LEU 24 1HD2 LEU 24 -1.948 -6.165 3.269 149 HD23 LEU 24 2HD2 LEU 24 -0.938 -7.026 4.431 150 H GLN 25 H GLN 25 -5.279 -4.429 7.199 151 HA GLN 25 HA GLN 25 -5.653 -1.851 6.041 152 HB2 GLN 25 1HB GLN 25 -6.173 -2.744 8.460 153 HB3 GLN 25 2HB GLN 25 -4.528 -2.215 8.788 154 HG2 GLN 25 1HG GLN 25 -6.024 -0.465 9.402 155 HG3 GLN 25 2HG GLN 25 -5.142 0.038 7.960 156 HE21 GLN 25 1HE2 GLN 25 -7.963 -2.062 8.375 157 HE22 GLN 25 2HE2 GLN 25 -9.015 -1.143 7.359 158 H VAL 26 H VAL 26 -4.199 -0.223 5.669 159 HA VAL 26 HA VAL 26 -1.387 -0.625 6.304 160 HB VAL 26 HB VAL 26 -1.544 -1.703 4.141 161 HG11 VAL 26 1HG1 VAL 26 -2.382 -0.628 2.178 162 HG12 VAL 26 2HG1 VAL 26 -3.621 -0.508 3.430 163 HG13 VAL 26 3HG1 VAL 26 -2.616 0.890 3.044 164 HG21 VAL 26 3HG2 VAL 26 0.514 -0.771 4.112 165 HG22 VAL 26 1HG2 VAL 26 -0.187 0.219 2.832 166 HG23 VAL 26 2HG2 VAL 26 -0.094 0.844 4.478 167 H SER 27 H SER 27 -0.481 1.234 6.902 168 HA SER 27 HA SER 27 -1.609 3.754 5.894 169 HB2 SER 27 1HB SER 27 -0.720 3.511 8.755 170 HB3 SER 27 2HB SER 27 -1.782 4.713 8.023 171 HG SER 27 HG SER 27 -3.425 3.437 8.334 172 H TRP 28 H TRP 28 -0.113 5.641 6.553 173 HA TRP 28 HA TRP 28 2.658 5.053 6.938 174 HB2 TRP 28 1HB TRP 28 3.360 6.017 4.700 175 HB3 TRP 28 2HB TRP 28 2.666 4.399 4.651 176 HD1 TRP 28 HD TRP 28 1.849 8.031 3.713 177 HE1 TRP 28 1HE TRP 28 -0.072 8.018 2.001 178 HE3 TRP 28 3HE TRP 28 0.702 3.050 3.819 179 HZ2 TRP 28 2HZ TRP 28 -1.841 6.144 0.849 180 HZ3 TRP 28 3HZ TRP 28 -1.118 2.229 2.382 181 HH2 TRP 28 HH TRP 28 -2.363 3.745 0.928 182 H THR 29 H THR 29 3.970 7.175 6.313 183 HA THR 29 HA THR 29 2.463 9.393 7.513 184 HB THR 29 HB THR 29 5.430 8.845 7.397 185 HG1 THR 29 1HG THR 29 3.630 9.148 9.589 186 HG21 THR 29 3HG2 THR 29 5.743 11.057 7.477 187 HG22 THR 29 1HG2 THR 29 5.018 11.010 9.083 188 HG23 THR 29 2HG2 THR 29 4.018 11.365 7.675 189 HA PRO 30 HA PRO 30 2.586 11.209 3.425 190 HB2 PRO 30 1HB PRO 30 1.139 13.409 4.086 191 HB3 PRO 30 2HB PRO 30 0.404 11.829 3.791 192 HG2 PRO 30 1HG PRO 30 1.078 13.149 6.392 193 HG3 PRO 30 2HG PRO 30 -0.380 12.246 5.940 194 HD2 PRO 30 1HD PRO 30 1.616 11.151 7.407 195 HD3 PRO 30 2HD PRO 30 0.630 10.202 6.276 196 HA PRO 31 HA PRO 31 6.027 13.948 3.946 197 HB2 PRO 31 1HB PRO 31 6.084 14.943 1.421 198 HB3 PRO 31 2HB PRO 31 6.645 13.317 1.825 199 HG2 PRO 31 1HG PRO 31 4.026 14.183 0.663 200 HG3 PRO 31 2HG PRO 31 5.049 12.806 0.213 201 HD2 PRO 31 1HD PRO 31 2.851 12.540 1.772 202 HD3 PRO 31 2HD PRO 31 4.283 11.506 1.955 203 H LEU 32 H LEU 32 6.397 16.334 2.699 204 HA LEU 32 HA LEU 32 4.265 17.983 3.866 205 HB2 LEU 32 1HB LEU 32 5.833 19.632 4.294 206 HB3 LEU 32 2HB LEU 32 6.716 18.140 4.610 207 HG LEU 32 HG LEU 32 6.932 19.447 1.930 208 HD11 LEU 32 1HD1 LEU 32 8.248 21.135 2.605 209 HD12 LEU 32 2HD1 LEU 32 8.983 20.185 3.896 210 HD13 LEU 32 3HD1 LEU 32 7.408 20.938 4.144 211 HD21 LEU 32 3HD2 LEU 32 8.482 17.889 1.624 212 HD22 LEU 32 1HD2 LEU 32 8.048 17.200 3.188 213 HD23 LEU 32 2HD2 LEU 32 9.340 18.395 3.080 214 H GLY 33 H GLY 33 5.985 17.287 0.920 215 HA2 GLY 33 1HA GLY 33 5.152 19.588 -0.536 216 HA3 GLY 33 2HA GLY 33 5.771 18.094 -1.224 217 H ARG 34 H ARG 34 3.497 19.872 -1.994 218 HA ARG 34 HA ARG 34 1.027 18.722 -1.425 219 HB2 ARG 34 1HB ARG 34 1.366 20.893 -2.589 220 HB3 ARG 34 2HB ARG 34 1.864 20.012 -4.027 221 HG2 ARG 34 1HG ARG 34 -0.775 19.359 -2.834 222 HG3 ARG 34 2HG ARG 34 -0.603 20.881 -3.710 223 HD2 ARG 34 1HD ARG 34 0.341 19.571 -5.623 224 HD3 ARG 34 2HD ARG 34 -0.081 18.101 -4.747 225 HE ARG 34 HE ARG 34 -2.294 18.449 -5.271 226 HH11 ARG 34 1HH1 ARG 34 -0.434 21.285 -6.055 227 HH12 ARG 34 2HH1 ARG 34 -1.723 22.050 -6.925 228 HH21 ARG 34 1HH2 ARG 34 -3.999 19.445 -6.413 229 HH22 ARG 34 2HH2 ARG 34 -3.751 21.003 -7.127 230 H VAL 35 H VAL 35 0.379 16.704 -1.733 231 HA VAL 35 HA VAL 35 1.443 15.209 -4.037 232 HB VAL 35 HB VAL 35 0.310 14.181 -1.433 233 HG11 VAL 35 1HG1 VAL 35 0.706 11.968 -2.215 234 HG12 VAL 35 2HG1 VAL 35 -0.246 12.794 -3.451 235 HG13 VAL 35 3HG1 VAL 35 1.487 12.560 -3.681 236 HG21 VAL 35 3HG2 VAL 35 2.432 13.808 -0.723 237 HG22 VAL 35 1HG2 VAL 35 3.041 13.513 -2.352 238 HG23 VAL 35 2HG2 VAL 35 2.770 15.165 -1.798 239 H LEU 36 H LEU 36 0.091 14.882 -5.665 240 HA LEU 36 HA LEU 36 -2.625 15.608 -5.616 241 HB2 LEU 36 1HB LEU 36 -1.234 13.770 -7.559 242 HB3 LEU 36 2HB LEU 36 -2.758 14.614 -7.826 243 HG LEU 36 HG LEU 36 -0.104 15.992 -7.436 244 HD11 LEU 36 1HD1 LEU 36 -0.223 14.571 -9.492 245 HD12 LEU 36 2HD1 LEU 36 -0.002 16.294 -9.795 246 HD13 LEU 36 3HD1 LEU 36 -1.588 15.556 -10.019 247 HD21 LEU 36 3HD2 LEU 36 -2.804 16.905 -7.424 248 HD22 LEU 36 1HD2 LEU 36 -1.996 17.535 -8.859 249 HD23 LEU 36 2HD2 LEU 36 -1.316 17.840 -7.261 250 H HIS 37 H HIS 37 -1.232 12.343 -6.002 251 HA HIS 37 HA HIS 37 -3.337 11.258 -4.305 252 HB2 HIS 37 1HB HIS 37 -3.720 9.428 -6.062 253 HB3 HIS 37 2HB HIS 37 -4.450 11.001 -6.365 254 HD1 HIS 37 1HD HIS 37 -2.384 8.488 -7.924 255 HD2 HIS 37 2HD HIS 37 -2.809 12.609 -8.240 256 HE1 HIS 37 1HE HIS 37 -1.333 9.105 -10.123 257 HE2 HIS 37 2HE HIS 37 -1.526 11.613 -10.253 258 H TYR 38 H TYR 38 -2.977 8.839 -3.978 259 HA TYR 38 HA TYR 38 -0.078 8.328 -3.834 260 HB2 TYR 38 1HB TYR 38 -2.305 7.585 -1.940 261 HB3 TYR 38 2HB TYR 38 -0.721 6.820 -1.878 262 HD1 TYR 38 2HD TYR 38 1.293 8.610 -1.881 263 HD2 TYR 38 1HD TYR 38 -2.666 9.349 -0.507 264 HE1 TYR 38 2HE TYR 38 2.129 10.449 -0.479 265 HE2 TYR 38 1HE TYR 38 -1.840 11.192 0.898 266 HH TYR 38 HH TYR 38 -0.082 12.417 1.482 267 H TRP 39 H TRP 39 0.286 7.088 -5.599 268 HA TRP 39 HA TRP 39 -1.505 5.102 -6.552 269 HB2 TRP 39 1HB TRP 39 0.256 6.290 -7.916 270 HB3 TRP 39 2HB TRP 39 1.459 5.283 -7.115 271 HD1 TRP 39 HD TRP 39 2.174 3.377 -8.648 272 HE1 TRP 39 1HE TRP 39 1.019 1.838 -10.357 273 HE3 TRP 39 3HE TRP 39 -2.563 5.283 -8.387 274 HZ2 TRP 39 2HZ TRP 39 -1.558 1.480 -11.450 275 HZ3 TRP 39 3HZ TRP 39 -4.315 4.286 -9.797 276 HH2 TRP 39 HH TRP 39 -3.821 2.424 -11.297 277 H LEU 40 H LEU 40 -2.020 3.496 -5.166 278 HA LEU 40 HA LEU 40 0.125 2.114 -3.731 279 HB2 LEU 40 1HB LEU 40 -2.186 2.944 -2.765 280 HB3 LEU 40 2HB LEU 40 -2.747 1.402 -3.409 281 HG LEU 40 HG LEU 40 -0.357 1.397 -1.635 282 HD11 LEU 40 1HD1 LEU 40 -2.717 2.669 -0.836 283 HD12 LEU 40 2HD1 LEU 40 -1.382 2.137 0.186 284 HD13 LEU 40 3HD1 LEU 40 -2.758 1.069 -0.095 285 HD21 LEU 40 3HD2 LEU 40 -2.601 -0.439 -2.360 286 HD22 LEU 40 1HD2 LEU 40 -1.713 -0.679 -0.855 287 HD23 LEU 40 2HD2 LEU 40 -0.860 -0.723 -2.398 288 H THR 41 H THR 41 0.699 0.045 -4.133 289 HA THR 41 HA THR 41 -0.906 -1.529 -6.015 290 HB THR 41 HB THR 41 1.374 -2.279 -7.019 291 HG1 THR 41 1HG THR 41 2.700 -0.171 -7.040 292 HG21 THR 41 3HG2 THR 41 0.587 0.501 -7.802 293 HG22 THR 41 1HG2 THR 41 -0.540 -0.835 -8.033 294 HG23 THR 41 2HG2 THR 41 1.036 -0.863 -8.826 295 H TYR 42 H TYR 42 -1.468 -3.193 -4.745 296 HA TYR 42 HA TYR 42 0.535 -4.381 -2.969 297 HB2 TYR 42 1HB TYR 42 -1.344 -5.544 -1.921 298 HB3 TYR 42 2HB TYR 42 -1.646 -3.811 -1.985 299 HD1 TYR 42 1HD TYR 42 -3.284 -2.902 -3.609 300 HD2 TYR 42 2HD TYR 42 -2.743 -7.090 -3.085 301 HE1 TYR 42 1HE TYR 42 -5.431 -3.315 -4.735 302 HE2 TYR 42 2HE TYR 42 -4.888 -7.514 -4.211 303 HH TYR 42 HH TYR 42 -6.828 -6.533 -4.906 304 H ALA 43 H ALA 43 0.944 -6.629 -2.966 305 HA ALA 43 HA ALA 43 -0.087 -8.236 -5.156 306 HB1 ALA 43 3HB ALA 43 2.725 -8.631 -5.201 307 HB2 ALA 43 1HB ALA 43 1.671 -8.058 -6.494 308 HB3 ALA 43 2HB ALA 43 2.406 -6.906 -5.378 309 HA PRO 44 HA PRO 44 0.475 -11.641 -2.446 310 HB2 PRO 44 1HB PRO 44 1.513 -13.592 -4.022 311 HB3 PRO 44 2HB PRO 44 -0.161 -13.041 -4.153 312 HG2 PRO 44 1HG PRO 44 2.212 -12.300 -5.820 313 HG3 PRO 44 2HG PRO 44 0.557 -12.676 -6.334 314 HD2 PRO 44 1HD PRO 44 1.477 -10.138 -6.125 315 HD3 PRO 44 2HD PRO 44 -0.217 -10.568 -5.814 316 H ALA 45 H ALA 45 3.087 -9.970 -3.543 317 HA ALA 45 HA ALA 45 5.268 -9.810 -2.912 318 HB1 ALA 45 3HB ALA 45 5.065 -9.704 -0.688 319 HB2 ALA 45 1HB ALA 45 3.901 -11.029 -0.639 320 HB3 ALA 45 2HB ALA 45 5.630 -11.375 -0.695 321 H SER 46 H SER 46 4.517 -11.849 -4.802 322 HA SER 46 HA SER 46 6.915 -13.466 -4.645 323 HB2 SER 46 1HB SER 46 5.389 -14.912 -3.455 324 HB3 SER 46 2HB SER 46 4.160 -14.717 -4.705 325 HG SER 46 HG SER 46 5.212 -16.069 -5.977 326 H GLY 47 H GLY 47 7.678 -14.078 -6.635 327 HA2 GLY 47 1HA GLY 47 6.524 -12.732 -8.904 328 HA3 GLY 47 2HA GLY 47 7.997 -13.690 -8.896 329 H LEU 48 H LEU 48 4.584 -14.424 -8.172 330 HA LEU 48 HA LEU 48 4.755 -16.607 -10.145 331 HB2 LEU 48 1HB LEU 48 3.237 -17.891 -8.793 332 HB3 LEU 48 2HB LEU 48 4.623 -17.400 -7.822 333 HG LEU 48 HG LEU 48 3.020 -15.455 -7.085 334 HD11 LEU 48 1HD1 LEU 48 0.816 -15.679 -7.439 335 HD12 LEU 48 2HD1 LEU 48 0.862 -17.434 -7.276 336 HD13 LEU 48 3HD1 LEU 48 1.318 -16.679 -8.803 337 HD21 LEU 48 3HD2 LEU 48 3.189 -16.538 -5.156 338 HD22 LEU 48 1HD2 LEU 48 3.769 -17.951 -6.036 339 HD23 LEU 48 2HD2 LEU 48 2.048 -17.768 -5.700 340 H GLY 49 H GLY 49 2.648 -14.193 -8.639 341 HA2 GLY 49 1HA GLY 49 0.919 -14.364 -11.030 342 HA3 GLY 49 2HA GLY 49 0.279 -14.078 -9.418 343 HA PRO 50 HA PRO 50 1.194 -10.041 -11.692 344 HB2 PRO 50 1HB PRO 50 -1.375 -9.188 -11.896 345 HB3 PRO 50 2HB PRO 50 -0.589 -10.175 -13.134 346 HG2 PRO 50 1HG PRO 50 -2.460 -11.010 -10.951 347 HG3 PRO 50 2HG PRO 50 -2.425 -11.518 -12.650 348 HD2 PRO 50 1HD PRO 50 -1.403 -13.036 -10.654 349 HD3 PRO 50 2HD PRO 50 -0.722 -13.030 -12.294 350 H GLU 51 H GLU 51 0.489 -7.828 -10.925 351 HA GLU 51 HA GLU 51 -0.032 -7.899 -8.024 352 HB2 GLU 51 1HB GLU 51 1.419 -6.033 -7.730 353 HB3 GLU 51 2HB GLU 51 2.283 -7.198 -8.723 354 HG2 GLU 51 1HG GLU 51 1.231 -5.760 -10.678 355 HG3 GLU 51 2HG GLU 51 1.219 -4.522 -9.422 356 H LYS 52 H LYS 52 -1.779 -6.862 -7.328 357 HA LYS 52 HA LYS 52 -3.444 -5.432 -9.190 358 HB2 LYS 52 1HB LYS 52 -3.720 -6.123 -6.268 359 HB3 LYS 52 2HB LYS 52 -4.904 -5.137 -7.116 360 HG2 LYS 52 1HG LYS 52 -4.126 -7.838 -8.147 361 HG3 LYS 52 2HG LYS 52 -5.340 -7.655 -6.879 362 HD2 LYS 52 1HD LYS 52 -6.823 -6.557 -8.279 363 HD3 LYS 52 2HD LYS 52 -5.551 -6.045 -9.391 364 HE2 LYS 52 1HE LYS 52 -6.854 -7.758 -10.452 365 HE3 LYS 52 2HE LYS 52 -5.266 -8.418 -10.067 366 HZ1 LYS 52 3HZ LYS 52 -6.255 -9.422 -8.068 367 HZ2 LYS 52 1HZ LYS 52 -6.955 -10.001 -9.495 368 HZ3 LYS 52 2HZ LYS 52 -7.778 -8.866 -8.549 369 H SER 53 H SER 53 -4.440 -3.311 -8.513 370 HA SER 53 HA SER 53 -2.653 -1.584 -6.987 371 HB2 SER 53 1HB SER 53 -2.400 0.043 -8.744 372 HB3 SER 53 2HB SER 53 -1.899 -1.522 -9.385 373 HG SER 53 HG SER 53 -3.232 -0.612 -10.894 374 H VAL 54 H VAL 54 -3.633 0.286 -6.188 375 HA VAL 54 HA VAL 54 -6.456 0.724 -6.807 376 HB VAL 54 HB VAL 54 -7.019 0.879 -4.390 377 HG11 VAL 54 1HG1 VAL 54 -6.805 -1.687 -4.006 378 HG12 VAL 54 2HG1 VAL 54 -7.798 -1.080 -5.332 379 HG13 VAL 54 3HG1 VAL 54 -6.176 -1.694 -5.653 380 HG21 VAL 54 3HG2 VAL 54 -4.247 -0.257 -4.077 381 HG22 VAL 54 1HG2 VAL 54 -4.892 1.234 -3.390 382 HG23 VAL 54 2HG2 VAL 54 -5.474 -0.328 -2.812 383 H SER 55 H SER 55 -7.190 2.812 -6.393 384 HA SER 55 HA SER 55 -5.064 4.789 -6.103 385 HB2 SER 55 1HB SER 55 -6.523 5.118 -7.997 386 HB3 SER 55 2HB SER 55 -7.953 5.034 -6.968 387 HG SER 55 HG SER 55 -7.407 6.982 -6.064 388 H VAL 56 H VAL 56 -5.121 6.477 -4.603 389 HA VAL 56 HA VAL 56 -7.124 6.311 -2.470 390 HB VAL 56 HB VAL 56 -4.142 6.351 -1.984 391 HG11 VAL 56 1HG1 VAL 56 -6.272 6.196 0.124 392 HG12 VAL 56 2HG1 VAL 56 -4.560 6.586 0.304 393 HG13 VAL 56 3HG1 VAL 56 -5.655 7.744 -0.452 394 HG21 VAL 56 3HG2 VAL 56 -6.256 4.250 -1.602 395 HG22 VAL 56 1HG2 VAL 56 -4.735 4.134 -2.486 396 HG23 VAL 56 2HG2 VAL 56 -4.727 4.213 -0.724 397 HA PRO 57 HA PRO 57 -7.087 10.697 -2.941 398 HB2 PRO 57 1HB PRO 57 -8.363 11.346 -0.634 399 HB3 PRO 57 2HB PRO 57 -9.196 10.653 -2.030 400 HG2 PRO 57 1HG PRO 57 -8.234 9.303 0.462 401 HG3 PRO 57 2HG PRO 57 -9.767 9.093 -0.403 402 HD2 PRO 57 1HD PRO 57 -7.705 7.356 -0.650 403 HD3 PRO 57 2HD PRO 57 -8.831 7.697 -1.980 404 H GLY 58 H GLY 58 -5.083 11.568 -2.769 405 HA2 GLY 58 1HA GLY 58 -3.131 11.328 -0.949 406 HA3 GLY 58 2HA GLY 58 -3.482 12.874 -1.707 407 H ALA 59 H ALA 59 -6.123 13.058 -0.417 408 HA ALA 59 HA ALA 59 -5.573 14.659 1.723 409 HB1 ALA 59 3HB ALA 59 -7.964 13.076 0.938 410 HB2 ALA 59 1HB ALA 59 -7.945 13.836 2.529 411 HB3 ALA 59 2HB ALA 59 -7.759 14.822 1.078 412 H ARG 60 H ARG 60 -6.279 11.175 1.840 413 HA ARG 60 HA ARG 60 -5.476 11.136 4.659 414 HB2 ARG 60 1HB ARG 60 -6.472 8.900 4.727 415 HB3 ARG 60 2HB ARG 60 -7.621 10.087 4.126 416 HG2 ARG 60 1HG ARG 60 -6.719 9.293 1.788 417 HG3 ARG 60 2HG ARG 60 -6.283 7.848 2.703 418 HD2 ARG 60 1HD ARG 60 -8.478 7.565 1.734 419 HD3 ARG 60 2HD ARG 60 -8.613 7.676 3.488 420 HE ARG 60 HE ARG 60 -9.013 10.222 2.699 421 HH11 ARG 60 1HH1 ARG 60 -10.407 7.189 1.709 422 HH12 ARG 60 2HH1 ARG 60 -11.940 7.881 1.291 423 HH21 ARG 60 1HH2 ARG 60 -11.026 11.145 2.152 424 HH22 ARG 60 2HH2 ARG 60 -12.290 10.131 1.543 425 H SER 61 H SER 61 -4.190 9.196 5.355 426 HA SER 61 HA SER 61 -2.182 8.484 3.319 427 HB2 SER 61 1HB SER 61 -0.527 8.467 5.259 428 HB3 SER 61 2HB SER 61 -1.089 10.054 4.732 429 HG SER 61 HG SER 61 -1.093 9.442 7.110 430 H HIS 62 H HIS 62 -4.592 7.072 4.340 431 HA HIS 62 HA HIS 62 -3.285 4.532 4.868 432 HB2 HIS 62 1HB HIS 62 -4.762 4.020 6.789 433 HB3 HIS 62 2HB HIS 62 -3.665 5.356 7.123 434 HD1 HIS 62 1HD HIS 62 -7.241 4.482 6.926 435 HD2 HIS 62 2HD HIS 62 -4.932 7.924 7.204 436 HE1 HIS 62 1HE HIS 62 -8.836 6.309 7.593 437 HE2 HIS 62 2HE HIS 62 -7.431 8.399 7.671 438 H VAL 63 H VAL 63 -4.565 2.722 4.354 439 HA VAL 63 HA VAL 63 -7.283 3.054 3.462 440 HB VAL 63 HB VAL 63 -5.688 3.790 1.537 441 HG11 VAL 63 1HG1 VAL 63 -4.195 1.845 1.722 442 HG12 VAL 63 2HG1 VAL 63 -5.533 0.789 1.264 443 HG13 VAL 63 3HG1 VAL 63 -4.915 1.979 0.118 444 HG21 VAL 63 3HG2 VAL 63 -7.606 1.703 0.637 445 HG22 VAL 63 1HG2 VAL 63 -8.226 3.060 1.578 446 HG23 VAL 63 2HG2 VAL 63 -7.378 3.354 0.060 447 H THR 64 H THR 64 -8.024 0.918 2.362 448 HA THR 64 HA THR 64 -6.678 -1.364 3.647 449 HB THR 64 HB THR 64 -9.674 -1.218 3.417 450 HG1 THR 64 1HG THR 64 -9.636 0.220 4.962 451 HG21 THR 64 3HG2 THR 64 -8.160 -2.675 5.533 452 HG22 THR 64 1HG2 THR 64 -8.198 -3.346 3.903 453 HG23 THR 64 2HG2 THR 64 -9.704 -3.070 4.778 454 H LEU 65 H LEU 65 -6.459 -3.161 2.425 455 HA LEU 65 HA LEU 65 -7.524 -3.042 -0.310 456 HB2 LEU 65 1HB LEU 65 -5.324 -4.817 0.722 457 HB3 LEU 65 2HB LEU 65 -5.747 -4.496 -0.958 458 HG LEU 65 HG LEU 65 -4.774 -2.297 0.833 459 HD11 LEU 65 1HD1 LEU 65 -2.542 -2.878 -0.460 460 HD12 LEU 65 2HD1 LEU 65 -3.215 -4.506 -0.392 461 HD13 LEU 65 3HD1 LEU 65 -2.930 -3.607 1.098 462 HD21 LEU 65 3HD2 LEU 65 -5.579 -2.547 -1.893 463 HD22 LEU 65 1HD2 LEU 65 -3.870 -2.114 -1.833 464 HD23 LEU 65 2HD2 LEU 65 -5.064 -1.106 -1.015 465 HA PRO 66 HA PRO 66 -10.219 -6.274 1.419 466 HB2 PRO 66 1HB PRO 66 -12.157 -5.942 -0.452 467 HB3 PRO 66 2HB PRO 66 -12.020 -4.917 0.981 468 HG2 PRO 66 1HG PRO 66 -11.107 -4.388 -1.820 469 HG3 PRO 66 2HG PRO 66 -11.924 -3.298 -0.686 470 HD2 PRO 66 1HD PRO 66 -9.254 -3.208 -1.124 471 HD3 PRO 66 2HD PRO 66 -9.977 -2.815 0.449 472 H ASP 67 H ASP 67 -11.401 -8.101 0.194 473 HA ASP 67 HA ASP 67 -11.261 -9.975 -1.089 474 HB2 ASP 67 1HB ASP 67 -11.655 -8.398 -2.937 475 HB3 ASP 67 2HB ASP 67 -9.921 -8.118 -3.066 476 H LEU 68 H LEU 68 -9.475 -10.065 0.822 477 HA LEU 68 HA LEU 68 -6.937 -10.842 -0.456 478 HB2 LEU 68 1HB LEU 68 -7.570 -9.680 2.223 479 HB3 LEU 68 2HB LEU 68 -6.125 -10.668 2.015 480 HG LEU 68 HG LEU 68 -6.760 -8.069 0.623 481 HD11 LEU 68 1HD1 LEU 68 -4.935 -7.169 1.857 482 HD12 LEU 68 2HD1 LEU 68 -4.501 -8.757 2.491 483 HD13 LEU 68 3HD1 LEU 68 -5.999 -7.981 3.006 484 HD21 LEU 68 3HD2 LEU 68 -4.606 -10.104 0.170 485 HD22 LEU 68 1HD2 LEU 68 -4.344 -8.397 -0.192 486 HD23 LEU 68 2HD2 LEU 68 -5.630 -9.285 -1.011 487 H GLN 69 H GLN 69 -5.750 -12.513 1.062 488 HA GLN 69 HA GLN 69 -7.685 -14.668 1.592 489 HB2 GLN 69 1HB GLN 69 -4.852 -14.726 0.581 490 HB3 GLN 69 2HB GLN 69 -5.615 -16.156 1.265 491 HG2 GLN 69 1HG GLN 69 -6.619 -14.599 -1.107 492 HG3 GLN 69 2HG GLN 69 -5.738 -16.124 -1.172 493 HE21 GLN 69 1HE2 GLN 69 -8.414 -15.448 -2.134 494 HE22 GLN 69 2HE2 GLN 69 -9.492 -16.551 -1.356 495 H ALA 70 H ALA 70 -6.315 -16.427 3.029 496 HA ALA 70 HA ALA 70 -5.520 -14.932 5.443 497 HB1 ALA 70 3HB ALA 70 -7.688 -16.400 5.366 498 HB2 ALA 70 1HB ALA 70 -6.548 -17.726 5.604 499 HB3 ALA 70 2HB ALA 70 -6.642 -16.419 6.785 500 H ALA 71 H ALA 71 -3.591 -15.356 6.341 501 HA ALA 71 HA ALA 71 -1.578 -16.339 6.783 502 HB1 ALA 71 3HB ALA 71 -1.634 -18.549 7.042 503 HB2 ALA 71 1HB ALA 71 -3.263 -18.502 6.368 504 HB3 ALA 71 2HB ALA 71 -1.882 -18.816 5.317 505 H THR 72 H THR 72 -1.768 -14.603 4.669 506 HA THR 72 HA THR 72 0.468 -15.443 3.058 507 HB THR 72 HB THR 72 -2.134 -14.777 1.668 508 HG1 THR 72 1HG THR 72 -0.864 -17.186 2.317 509 HG21 THR 72 3HG2 THR 72 0.201 -14.119 0.681 510 HG22 THR 72 1HG2 THR 72 -1.012 -14.880 -0.348 511 HG23 THR 72 2HG2 THR 72 0.310 -15.841 0.315 512 H LYS 73 H LYS 73 1.709 -13.718 3.460 513 HA LYS 73 HA LYS 73 0.838 -11.123 3.999 514 HB2 LYS 73 1HB LYS 73 3.109 -10.457 3.834 515 HB3 LYS 73 2HB LYS 73 3.129 -12.108 4.441 516 HG2 LYS 73 1HG LYS 73 3.541 -11.365 1.553 517 HG3 LYS 73 2HG LYS 73 4.846 -11.633 2.712 518 HD2 LYS 73 1HD LYS 73 3.875 -13.919 3.114 519 HD3 LYS 73 2HD LYS 73 2.799 -13.623 1.746 520 HE2 LYS 73 1HE LYS 73 4.823 -13.213 0.344 521 HE3 LYS 73 2HE LYS 73 5.812 -13.717 1.713 522 HZ1 LYS 73 3HZ LYS 73 5.019 -15.887 1.580 523 HZ2 LYS 73 1HZ LYS 73 5.248 -15.451 -0.039 524 HZ3 LYS 73 2HZ LYS 73 3.692 -15.461 0.622 525 H TYR 74 H TYR 74 1.786 -9.223 2.548 526 HA TYR 74 HA TYR 74 1.397 -9.646 -0.287 527 HB2 TYR 74 1HB TYR 74 -0.581 -8.139 1.404 528 HB3 TYR 74 2HB TYR 74 -0.352 -7.737 -0.294 529 HD1 TYR 74 2HD TYR 74 -1.400 -10.412 2.031 530 HD2 TYR 74 1HD TYR 74 -1.272 -9.096 -2.013 531 HE1 TYR 74 2HE TYR 74 -2.953 -12.212 1.402 532 HE2 TYR 74 1HE TYR 74 -2.825 -10.892 -2.653 533 HH TYR 74 HH TYR 74 -3.443 -13.518 -0.847 534 H ARG 75 H ARG 75 2.919 -8.495 -1.250 535 HA ARG 75 HA ARG 75 4.402 -6.481 0.100 536 HB2 ARG 75 1HB ARG 75 5.028 -8.100 -1.906 537 HB3 ARG 75 2HB ARG 75 4.500 -6.727 -2.871 538 HG2 ARG 75 1HG ARG 75 6.108 -5.363 -1.374 539 HG3 ARG 75 2HG ARG 75 6.811 -6.935 -0.989 540 HD2 ARG 75 1HD ARG 75 6.862 -7.261 -3.559 541 HD3 ARG 75 2HD ARG 75 6.686 -5.508 -3.618 542 HE ARG 75 HE ARG 75 8.790 -6.243 -1.870 543 HH11 ARG 75 1HH1 ARG 75 7.978 -5.998 -5.247 544 HH12 ARG 75 2HH1 ARG 75 9.615 -5.746 -5.756 545 HH21 ARG 75 1HH2 ARG 75 10.949 -5.913 -2.528 546 HH22 ARG 75 2HH2 ARG 75 11.304 -5.699 -4.209 547 H VAL 76 H VAL 76 3.274 -4.686 0.647 548 HA VAL 76 HA VAL 76 1.525 -3.396 -1.282 549 HB VAL 76 HB VAL 76 2.235 -2.608 1.547 550 HG11 VAL 76 1HG1 VAL 76 1.455 -0.818 -0.179 551 HG12 VAL 76 2HG1 VAL 76 -0.128 -1.563 0.048 552 HG13 VAL 76 3HG1 VAL 76 0.726 -0.868 1.426 553 HG21 VAL 76 3HG2 VAL 76 0.228 -3.593 2.240 554 HG22 VAL 76 1HG2 VAL 76 -0.390 -3.704 0.592 555 HG23 VAL 76 2HG2 VAL 76 0.918 -4.764 1.117 556 H LEU 77 H LEU 77 2.374 -2.097 -2.763 557 HA LEU 77 HA LEU 77 4.802 -0.578 -2.108 558 HB2 LEU 77 1HB LEU 77 3.613 -1.579 -4.659 559 HB3 LEU 77 2HB LEU 77 4.701 -0.193 -4.688 560 HG LEU 77 HG LEU 77 6.245 -1.872 -3.317 561 HD11 LEU 77 1HD1 LEU 77 5.442 -3.939 -3.232 562 HD12 LEU 77 2HD1 LEU 77 5.649 -4.027 -4.981 563 HD13 LEU 77 3HD1 LEU 77 4.101 -3.526 -4.301 564 HD21 LEU 77 3HD2 LEU 77 6.670 -0.703 -5.505 565 HD22 LEU 77 1HD2 LEU 77 5.969 -2.109 -6.305 566 HD23 LEU 77 2HD2 LEU 77 7.429 -2.287 -5.332 567 H VAL 78 H VAL 78 4.521 1.469 -1.555 568 HA VAL 78 HA VAL 78 2.243 2.944 -2.708 569 HB VAL 78 HB VAL 78 3.600 3.639 -0.110 570 HG11 VAL 78 1HG1 VAL 78 0.774 4.290 -0.753 571 HG12 VAL 78 2HG1 VAL 78 1.963 5.201 0.181 572 HG13 VAL 78 3HG1 VAL 78 2.040 5.196 -1.581 573 HG21 VAL 78 3HG2 VAL 78 1.315 2.614 0.764 574 HG22 VAL 78 1HG2 VAL 78 1.500 1.619 -0.681 575 HG23 VAL 78 2HG2 VAL 78 2.760 1.625 0.553 576 H SER 79 H SER 79 2.635 4.799 -3.768 577 HA SER 79 HA SER 79 5.286 6.035 -3.531 578 HB2 SER 79 1HB SER 79 3.923 5.382 -6.156 579 HB3 SER 79 2HB SER 79 5.430 6.280 -5.977 580 HG SER 79 HG SER 79 6.359 4.405 -6.014 581 H ALA 80 H ALA 80 5.127 8.143 -3.179 582 HA ALA 80 HA ALA 80 2.592 9.475 -3.315 583 HB1 ALA 80 3HB ALA 80 3.513 10.881 -1.855 584 HB2 ALA 80 1HB ALA 80 4.933 9.834 -1.876 585 HB3 ALA 80 2HB ALA 80 4.858 11.239 -2.939 586 H ILE 81 H ILE 81 1.780 10.630 -4.938 587 HA ILE 81 HA ILE 81 3.423 11.067 -7.309 588 HB ILE 81 HB ILE 81 0.454 11.307 -6.840 589 HG12 ILE 81 1HG1 ILE 81 0.262 9.383 -8.222 590 HG13 ILE 81 2HG1 ILE 81 1.932 9.513 -8.763 591 HG21 ILE 81 1HG2 ILE 81 1.992 11.858 -9.375 592 HG22 ILE 81 2HG2 ILE 81 0.236 11.816 -9.220 593 HG23 ILE 81 3HG2 ILE 81 1.165 13.059 -8.382 594 HD11 ILE 81 3HD1 ILE 81 2.753 8.790 -6.662 595 HD12 ILE 81 1HD1 ILE 81 1.158 8.924 -5.921 596 HD13 ILE 81 2HD1 ILE 81 1.467 7.679 -7.132 597 H TYR 82 H TYR 82 3.626 13.087 -8.328 598 HA TYR 82 HA TYR 82 2.748 15.447 -6.844 599 HB2 TYR 82 1HB TYR 82 5.627 14.982 -7.648 600 HB3 TYR 82 2HB TYR 82 4.986 16.451 -6.922 601 HD1 TYR 82 1HD TYR 82 4.285 16.464 -4.560 602 HD2 TYR 82 2HD TYR 82 6.092 13.037 -6.319 603 HE1 TYR 82 1HE TYR 82 4.728 15.555 -2.319 604 HE2 TYR 82 2HE TYR 82 6.539 12.117 -4.082 605 HH TYR 82 HH TYR 82 5.998 13.990 -1.184 606 H ALA 83 H ALA 83 3.019 17.453 -8.090 607 HA ALA 83 HA ALA 83 1.896 17.388 -10.578 608 HB1 ALA 83 3HB ALA 83 2.975 19.364 -8.903 609 HB2 ALA 83 1HB ALA 83 3.718 19.600 -10.485 610 HB3 ALA 83 2HB ALA 83 1.961 19.592 -10.327 611 H ALA 84 H ALA 84 5.377 17.571 -9.863 612 HA ALA 84 HA ALA 84 6.162 17.469 -12.603 613 HB1 ALA 84 3HB ALA 84 7.701 18.490 -11.160 614 HB2 ALA 84 1HB ALA 84 7.648 17.151 -10.013 615 HB3 ALA 84 2HB ALA 84 8.439 16.943 -11.576 616 H GLY 85 H GLY 85 6.392 15.074 -9.961 617 HA2 GLY 85 1HA GLY 85 5.620 12.912 -11.639 618 HA3 GLY 85 2HA GLY 85 7.366 12.942 -11.439 619 H ARG 86 H ARG 86 5.939 10.773 -10.584 620 HA ARG 86 HA ARG 86 5.421 11.041 -7.745 621 HB2 ARG 86 1HB ARG 86 4.934 8.588 -7.889 622 HB3 ARG 86 2HB ARG 86 3.949 9.587 -8.949 623 HG2 ARG 86 1HG ARG 86 5.098 8.889 -10.865 624 HG3 ARG 86 2HG ARG 86 6.442 8.238 -9.924 625 HD2 ARG 86 1HD ARG 86 4.701 6.635 -8.927 626 HD3 ARG 86 2HD ARG 86 3.677 7.127 -10.275 627 HE ARG 86 HE ARG 86 4.998 5.896 -11.694 628 HH11 ARG 86 1HH1 ARG 86 6.590 6.232 -8.616 629 HH12 ARG 86 2HH1 ARG 86 7.838 5.089 -8.990 630 HH21 ARG 86 1HH2 ARG 86 6.636 4.390 -12.198 631 HH22 ARG 86 2HH2 ARG 86 7.863 4.043 -11.028 632 H SER 87 H SER 87 6.607 10.098 -6.098 633 HA SER 87 HA SER 87 9.422 9.849 -6.595 634 HB2 SER 87 1HB SER 87 9.628 9.577 -4.185 635 HB3 SER 87 2HB SER 87 8.513 10.898 -4.534 636 HG SER 87 HG SER 87 7.429 8.348 -4.241 637 H GLU 88 H GLU 88 10.568 7.958 -5.354 638 HA GLU 88 HA GLU 88 10.202 5.626 -6.784 639 HB2 GLU 88 1HB GLU 88 11.770 4.609 -5.342 640 HB3 GLU 88 2HB GLU 88 12.202 6.312 -5.370 641 HG2 GLU 88 1HG GLU 88 11.189 6.667 -3.227 642 HG3 GLU 88 2HG GLU 88 10.549 5.025 -3.212 643 H ALA 89 H ALA 89 9.854 3.414 -5.570 644 HA ALA 89 HA ALA 89 7.255 3.609 -4.194 645 HB1 ALA 89 3HB ALA 89 6.719 1.420 -5.132 646 HB2 ALA 89 1HB ALA 89 7.097 2.582 -6.404 647 HB3 ALA 89 2HB ALA 89 8.290 1.371 -5.932 648 H VAL 90 H VAL 90 7.044 2.726 -2.228 649 HA VAL 90 HA VAL 90 9.352 1.270 -1.136 650 HB VAL 90 HB VAL 90 8.214 1.784 1.096 651 HG11 VAL 90 1HG1 VAL 90 9.220 3.970 1.227 652 HG12 VAL 90 2HG1 VAL 90 10.229 2.930 0.219 653 HG13 VAL 90 3HG1 VAL 90 9.179 4.135 -0.528 654 HG21 VAL 90 3HG2 VAL 90 6.904 4.113 -0.138 655 HG22 VAL 90 1HG2 VAL 90 6.120 2.560 -0.427 656 HG23 VAL 90 2HG2 VAL 90 6.398 3.115 1.224 657 H SER 91 H SER 91 9.179 -0.849 -0.882 658 HA SER 91 HA SER 91 6.569 -2.120 -1.035 659 HB2 SER 91 1HB SER 91 7.682 -4.081 -1.587 660 HB3 SER 91 2HB SER 91 8.799 -2.867 -2.209 661 HG SER 91 HG SER 91 9.971 -3.083 -0.237 662 H ALA 92 H ALA 92 5.852 -3.692 0.502 663 HA ALA 92 HA ALA 92 7.162 -3.940 3.046 664 HB1 ALA 92 3HB ALA 92 6.240 -1.824 3.526 665 HB2 ALA 92 1HB ALA 92 4.693 -2.244 2.789 666 HB3 ALA 92 2HB ALA 92 5.179 -2.995 4.310 667 H THR 93 H THR 93 6.863 -6.007 3.518 668 HA THR 93 HA THR 93 4.516 -7.413 2.518 669 HB THR 93 HB THR 93 5.671 -9.455 3.376 670 HG1 THR 93 1HG THR 93 7.030 -8.833 4.946 671 HG21 THR 93 3HG2 THR 93 7.570 -7.886 1.658 672 HG22 THR 93 1HG2 THR 93 5.997 -8.404 1.051 673 HG23 THR 93 2HG2 THR 93 7.175 -9.603 1.586 674 H GLY 94 H GLY 94 2.790 -7.857 3.724 675 HA2 GLY 94 1HA GLY 94 3.102 -7.868 6.659 676 HA3 GLY 94 2HA GLY 94 1.780 -7.003 5.891 677 H GLN 95 H GLN 95 2.802 -9.945 7.196 678 HA GLN 95 HA GLN 95 1.319 -11.837 5.801 679 HB2 GLN 95 1HB GLN 95 2.954 -12.444 7.507 680 HB3 GLN 95 2HB GLN 95 1.943 -11.730 8.757 681 HG2 GLN 95 1HG GLN 95 0.251 -13.396 8.420 682 HG3 GLN 95 2HG GLN 95 1.119 -14.054 7.034 683 HE21 GLN 95 1HE2 GLN 95 1.053 -16.084 8.127 684 HE22 GLN 95 2HE2 GLN 95 2.191 -16.439 9.378 685 H THR 96 H THR 96 -0.785 -12.186 5.555 686 HA THR 96 HA THR 96 -2.714 -10.463 6.753 687 HB THR 96 HB THR 96 -4.318 -12.259 5.670 688 HG1 THR 96 1HG THR 96 -3.359 -13.626 4.313 689 HG21 THR 96 3HG2 THR 96 -4.475 -10.315 4.530 690 HG22 THR 96 1HG2 THR 96 -3.463 -11.149 3.351 691 HG23 THR 96 2HG2 THR 96 -2.731 -10.056 4.527 692 H ALA 97 H ALA 97 -4.851 -11.704 7.530 693 HA ALA 97 HA ALA 97 -4.096 -12.948 10.018 694 HB1 ALA 97 3HB ALA 97 -5.899 -11.313 9.968 695 HB2 ALA 97 1HB ALA 97 -6.826 -12.351 8.883 696 HB3 ALA 97 2HB ALA 97 -6.488 -12.877 10.533 697 H CYS 98 H CYS 98 -4.301 -15.047 10.598 698 HA CYS 98 HA CYS 98 -4.445 -17.024 8.576 699 HB2 CYS 98 1HB CYS 98 -4.110 -18.617 10.314 700 HB3 CYS 98 2HB CYS 98 -3.181 -17.192 10.761 701 HG CYS 98 HG CYS 98 -5.457 -18.766 12.485 702 HA PRO 99 HA PRO 99 -8.747 -17.858 8.295 703 HB2 PRO 99 1HB PRO 99 -8.697 -20.499 7.673 704 HB3 PRO 99 2HB PRO 99 -8.229 -19.234 6.530 705 HG2 PRO 99 1HG PRO 99 -6.497 -20.984 8.232 706 HG3 PRO 99 2HG PRO 99 -6.288 -20.513 6.535 707 HD2 PRO 99 1HD PRO 99 -4.929 -19.326 8.554 708 HD3 PRO 99 2HD PRO 99 -5.408 -18.455 7.084 709 H SER 100 H SER 100 -6.798 -19.186 10.712 710 HA SER 100 HA SER 100 -9.173 -20.198 12.131 711 HB2 SER 100 1HB SER 100 -7.816 -22.110 11.530 712 HB3 SER 100 2HB SER 100 -6.367 -21.332 12.166 713 HG SER 100 HG SER 100 -7.151 -22.766 13.697 714 H GLY 101 H GLY 101 -8.950 -17.735 12.638 715 HA2 GLY 101 1HA GLY 101 -7.011 -16.643 14.249 716 HA3 GLY 101 2HA GLY 101 -8.714 -16.222 14.354 717 HA PRO 102 HA PRO 102 -7.065 -18.868 18.046 718 HB2 PRO 102 1HB PRO 102 -5.919 -16.989 19.635 719 HB3 PRO 102 2HB PRO 102 -5.007 -17.928 18.448 720 HG2 PRO 102 1HG PRO 102 -6.091 -15.146 18.234 721 HG3 PRO 102 2HG PRO 102 -4.512 -15.773 17.728 722 HD2 PRO 102 1HD PRO 102 -6.544 -15.364 15.985 723 HD3 PRO 102 2HD PRO 102 -5.351 -16.661 15.773 724 H SER 103 H SER 103 -9.202 -19.091 18.632 725 HA SER 103 HA SER 103 -10.227 -17.042 20.462 726 HB2 SER 103 1HB SER 103 -11.323 -16.702 18.266 727 HB3 SER 103 2HB SER 103 -11.894 -18.370 18.310 728 HG SER 103 HG SER 103 -13.528 -17.079 19.084 729 H SER 104 H SER 104 -11.457 -17.812 22.161 730 HA SER 104 HA SER 104 -11.584 -20.747 22.404 731 HB2 SER 104 1HB SER 104 -11.151 -18.701 24.594 732 HB3 SER 104 2HB SER 104 -11.302 -20.440 24.840 733 HG SER 104 HG SER 104 -9.324 -19.240 23.199 734 H GLY 105 H GLY 105 -13.295 -21.545 23.876 735 HA2 GLY 105 1HA GLY 105 -15.468 -19.925 24.672 736 HA3 GLY 105 2HA GLY 105 -15.823 -20.644 23.108 Start of MODEL 4 1 H1 GLY 1 H GLY 1 15.704 7.119 -9.579 2 HA2 GLY 1 1HA GLY 1 17.808 8.411 -10.765 3 HA3 GLY 1 2HA GLY 1 16.403 8.954 -11.669 4 H SER 2 H SER 2 17.836 8.803 -8.448 5 HA SER 2 HA SER 2 16.043 10.964 -7.584 6 HB2 SER 2 1HB SER 2 16.729 10.376 -5.291 7 HB3 SER 2 2HB SER 2 16.062 8.981 -6.139 8 HG SER 2 HG SER 2 17.895 8.222 -5.256 9 H SER 3 H SER 3 18.057 11.671 -9.349 10 HA SER 3 HA SER 3 19.723 13.361 -7.624 11 HB2 SER 3 1HB SER 3 20.951 11.296 -8.598 12 HB3 SER 3 2HB SER 3 20.866 12.158 -10.134 13 HG SER 3 HG SER 3 21.809 13.972 -8.803 14 H GLY 4 H GLY 4 19.194 15.391 -8.069 15 HA2 GLY 4 1HA GLY 4 19.626 16.965 -10.094 16 HA3 GLY 4 2HA GLY 4 18.281 16.065 -10.779 17 H SER 5 H SER 5 16.208 16.490 -10.113 18 HA SER 5 HA SER 5 15.869 18.990 -8.657 19 HB2 SER 5 1HB SER 5 14.037 17.297 -10.348 20 HB3 SER 5 2HB SER 5 13.419 18.622 -9.362 21 HG SER 5 HG SER 5 14.710 18.707 -11.740 22 H SER 6 H SER 6 16.744 16.947 -7.020 23 HA SER 6 HA SER 6 15.051 15.286 -5.733 24 HB2 SER 6 1HB SER 6 16.960 17.165 -4.321 25 HB3 SER 6 2HB SER 6 16.343 15.638 -3.691 26 HG SER 6 HG SER 6 18.528 15.836 -4.903 27 H GLY 7 H GLY 7 13.497 15.381 -4.117 28 HA2 GLY 7 1HA GLY 7 12.692 17.503 -2.584 29 HA3 GLY 7 2HA GLY 7 11.875 17.746 -4.121 30 H ARG 8 H ARG 8 10.841 15.584 -4.954 31 HA ARG 8 HA ARG 8 8.656 14.988 -3.440 32 HB2 ARG 8 1HB ARG 8 10.053 13.049 -5.293 33 HB3 ARG 8 2HB ARG 8 8.365 12.986 -4.803 34 HG2 ARG 8 1HG ARG 8 7.755 14.707 -6.173 35 HG3 ARG 8 2HG ARG 8 9.355 15.451 -6.132 36 HD2 ARG 8 1HD ARG 8 9.055 12.776 -7.403 37 HD3 ARG 8 2HD ARG 8 8.476 14.193 -8.277 38 HE ARG 8 HE ARG 8 10.948 14.949 -7.591 39 HH11 ARG 8 1HH1 ARG 8 9.744 12.014 -9.023 40 HH12 ARG 8 2HH1 ARG 8 11.200 11.692 -9.905 41 HH21 ARG 8 1HH2 ARG 8 12.871 14.538 -8.747 42 HH22 ARG 8 2HH2 ARG 8 12.978 13.128 -9.747 43 H SER 9 H SER 9 8.208 13.815 -1.683 44 HA SER 9 HA SER 9 10.313 12.031 -0.646 45 HB2 SER 9 1HB SER 9 9.836 14.156 0.671 46 HB3 SER 9 2HB SER 9 8.258 13.462 1.042 47 HG SER 9 HG SER 9 9.165 12.115 2.395 48 HA PRO 10 HA PRO 10 7.145 8.947 -1.306 49 HB2 PRO 10 1HB PRO 10 8.682 6.841 -0.549 50 HB3 PRO 10 2HB PRO 10 8.823 7.613 -2.133 51 HG2 PRO 10 1HG PRO 10 10.507 7.989 0.313 52 HG3 PRO 10 2HG PRO 10 11.012 7.832 -1.379 53 HD2 PRO 10 1HD PRO 10 10.855 10.225 -0.121 54 HD3 PRO 10 2HD PRO 10 10.534 10.036 -1.857 55 HA PRO 11 HA PRO 11 5.470 8.278 2.708 56 HB2 PRO 11 1HB PRO 11 4.154 5.933 2.332 57 HB3 PRO 11 2HB PRO 11 3.595 7.468 1.656 58 HG2 PRO 11 1HG PRO 11 5.129 5.263 0.335 59 HG3 PRO 11 2HG PRO 11 3.762 6.205 -0.290 60 HD2 PRO 11 1HD PRO 11 6.327 6.723 -0.986 61 HD3 PRO 11 2HD PRO 11 5.096 7.995 -0.863 62 H SER 12 H SER 12 6.501 7.662 4.492 63 HA SER 12 HA SER 12 7.932 5.085 4.474 64 HB2 SER 12 1HB SER 12 8.630 7.534 6.110 65 HB3 SER 12 2HB SER 12 9.553 6.035 6.009 66 HG SER 12 HG SER 12 10.095 6.509 3.925 67 H ASN 13 H ASN 13 8.395 4.453 6.920 68 HA ASN 13 HA ASN 13 7.535 3.634 8.859 69 HB2 ASN 13 1HB ASN 13 5.849 6.127 8.604 70 HB3 ASN 13 2HB ASN 13 5.758 5.049 9.994 71 HD21 ASN 13 1HD2 ASN 13 7.073 7.820 8.924 72 HD22 ASN 13 2HD2 ASN 13 8.485 7.892 9.918 73 H LEU 14 H LEU 14 6.576 2.580 6.422 74 HA LEU 14 HA LEU 14 3.775 2.326 6.322 75 HB2 LEU 14 1HB LEU 14 6.091 0.873 5.172 76 HB3 LEU 14 2HB LEU 14 4.534 0.046 5.171 77 HG LEU 14 HG LEU 14 4.950 2.775 3.965 78 HD11 LEU 14 1HD1 LEU 14 5.166 0.054 2.694 79 HD12 LEU 14 2HD1 LEU 14 6.393 1.318 2.754 80 HD13 LEU 14 3HD1 LEU 14 4.938 1.549 1.785 81 HD21 LEU 14 3HD2 LEU 14 2.871 1.033 2.912 82 HD22 LEU 14 1HD2 LEU 14 2.783 2.714 3.439 83 HD23 LEU 14 2HD2 LEU 14 2.649 1.411 4.621 84 H ALA 15 H ALA 15 2.434 1.325 7.657 85 HA ALA 15 HA ALA 15 3.465 -0.917 9.272 86 HB1 ALA 15 3HB ALA 15 1.637 -0.175 10.925 87 HB2 ALA 15 1HB ALA 15 3.127 0.766 10.841 88 HB3 ALA 15 2HB ALA 15 1.666 1.351 10.043 89 H LEU 16 H LEU 16 2.692 -2.680 8.260 90 HA LEU 16 HA LEU 16 0.015 -2.701 7.142 91 HB2 LEU 16 1HB LEU 16 2.391 -4.469 7.048 92 HB3 LEU 16 2HB LEU 16 0.815 -5.227 6.829 93 HG LEU 16 HG LEU 16 0.409 -3.587 4.960 94 HD11 LEU 16 1HD1 LEU 16 2.359 -2.511 3.968 95 HD12 LEU 16 2HD1 LEU 16 3.363 -3.086 5.299 96 HD13 LEU 16 3HD1 LEU 16 2.073 -1.924 5.606 97 HD21 LEU 16 3HD2 LEU 16 2.692 -5.543 4.743 98 HD22 LEU 16 1HD2 LEU 16 1.865 -4.813 3.367 99 HD23 LEU 16 2HD2 LEU 16 0.980 -5.868 4.469 100 H ALA 17 H ALA 17 -1.673 -3.080 8.406 101 HA ALA 17 HA ALA 17 -1.348 -4.932 10.676 102 HB1 ALA 17 3HB ALA 17 -3.250 -3.749 11.716 103 HB2 ALA 17 1HB ALA 17 -1.862 -2.698 11.430 104 HB3 ALA 17 2HB ALA 17 -3.262 -2.623 10.358 105 H SER 18 H SER 18 -2.490 -6.758 10.662 106 HA SER 18 HA SER 18 -4.531 -7.096 8.579 107 HB2 SER 18 1HB SER 18 -2.656 -8.692 8.534 108 HB3 SER 18 2HB SER 18 -3.039 -9.187 10.183 109 HG SER 18 HG SER 18 -5.272 -9.430 8.885 110 H GLU 19 H GLU 19 -6.563 -6.866 9.211 111 HA GLU 19 HA GLU 19 -7.274 -7.571 11.978 112 HB2 GLU 19 1HB GLU 19 -8.890 -5.920 11.971 113 HB3 GLU 19 2HB GLU 19 -7.649 -5.193 10.960 114 HG2 GLU 19 1HG GLU 19 -8.850 -5.760 8.969 115 HG3 GLU 19 2HG GLU 19 -10.029 -6.690 9.892 116 H THR 20 H THR 20 -8.001 -8.138 8.615 117 HA THR 20 HA THR 20 -9.671 -10.411 9.397 118 HB THR 20 HB THR 20 -11.414 -8.935 8.927 119 HG1 THR 20 1HG THR 20 -12.187 -9.632 6.851 120 HG21 THR 20 3HG2 THR 20 -9.738 -7.222 7.935 121 HG22 THR 20 1HG2 THR 20 -11.413 -7.194 7.383 122 HG23 THR 20 2HG2 THR 20 -10.168 -7.947 6.386 123 HA PRO 21 HA PRO 21 -7.307 -12.489 6.319 124 HB2 PRO 21 1HB PRO 21 -8.972 -14.577 5.826 125 HB3 PRO 21 2HB PRO 21 -8.014 -14.440 7.306 126 HG2 PRO 21 1HG PRO 21 -10.898 -13.780 6.848 127 HG3 PRO 21 2HG PRO 21 -10.146 -14.619 8.218 128 HD2 PRO 21 1HD PRO 21 -10.851 -12.007 8.319 129 HD3 PRO 21 2HD PRO 21 -9.455 -12.654 9.205 130 H ASP 22 H ASP 22 -10.011 -10.735 5.675 131 HA ASP 22 HA ASP 22 -10.005 -11.472 2.821 132 HB2 ASP 22 1HB ASP 22 -12.237 -9.883 4.009 133 HB3 ASP 22 2HB ASP 22 -12.262 -11.021 2.665 134 H SER 23 H SER 23 -8.916 -9.215 4.965 135 HA SER 23 HA SER 23 -8.347 -7.325 2.865 136 HB2 SER 23 1HB SER 23 -9.850 -6.288 5.269 137 HB3 SER 23 2HB SER 23 -9.436 -5.420 3.791 138 HG SER 23 HG SER 23 -11.674 -6.568 4.237 139 H LEU 24 H LEU 24 -6.749 -5.770 3.463 140 HA LEU 24 HA LEU 24 -5.440 -6.257 6.049 141 HB2 LEU 24 1HB LEU 24 -4.329 -7.517 4.198 142 HB3 LEU 24 2HB LEU 24 -3.977 -5.970 3.431 143 HG LEU 24 HG LEU 24 -2.815 -5.478 5.752 144 HD11 LEU 24 1HD1 LEU 24 -3.335 -8.358 5.794 145 HD12 LEU 24 2HD1 LEU 24 -2.946 -7.252 7.111 146 HD13 LEU 24 3HD1 LEU 24 -1.657 -7.914 6.108 147 HD21 LEU 24 3HD2 LEU 24 -1.061 -5.422 4.396 148 HD22 LEU 24 1HD2 LEU 24 -1.979 -6.326 3.191 149 HD23 LEU 24 2HD2 LEU 24 -0.991 -7.185 4.373 150 H GLN 25 H GLN 25 -5.213 -4.425 7.133 151 HA GLN 25 HA GLN 25 -5.561 -1.882 5.815 152 HB2 GLN 25 1HB GLN 25 -6.334 -2.696 8.218 153 HB3 GLN 25 2HB GLN 25 -4.753 -2.079 8.679 154 HG2 GLN 25 1HG GLN 25 -5.322 0.084 8.286 155 HG3 GLN 25 2HG GLN 25 -6.478 -0.332 7.022 156 HE21 GLN 25 1HE2 GLN 25 -8.337 -1.769 7.974 157 HE22 GLN 25 2HE2 GLN 25 -9.080 -1.120 9.391 158 H VAL 26 H VAL 26 -4.049 -0.318 5.478 159 HA VAL 26 HA VAL 26 -1.322 -0.746 6.440 160 HB VAL 26 HB VAL 26 -1.280 -1.807 4.271 161 HG11 VAL 26 1HG1 VAL 26 -2.698 -1.157 2.690 162 HG12 VAL 26 2HG1 VAL 26 -3.066 0.328 3.570 163 HG13 VAL 26 3HG1 VAL 26 -1.706 0.281 2.447 164 HG21 VAL 26 3HG2 VAL 26 0.241 -0.009 3.071 165 HG22 VAL 26 1HG2 VAL 26 0.100 0.802 4.631 166 HG23 VAL 26 2HG2 VAL 26 0.768 -0.828 4.541 167 H SER 27 H SER 27 -0.480 1.088 7.178 168 HA SER 27 HA SER 27 -1.557 3.636 6.161 169 HB2 SER 27 1HB SER 27 -1.209 4.563 8.447 170 HB3 SER 27 2HB SER 27 -2.410 3.272 8.405 171 HG SER 27 HG SER 27 0.284 2.683 8.960 172 H TRP 28 H TRP 28 -0.046 5.509 6.722 173 HA TRP 28 HA TRP 28 2.740 4.934 7.020 174 HB2 TRP 28 1HB TRP 28 3.403 5.822 4.773 175 HB3 TRP 28 2HB TRP 28 2.590 4.261 4.715 176 HD1 TRP 28 HD TRP 28 1.981 7.972 3.912 177 HE1 TRP 28 1HE TRP 28 0.034 8.129 2.235 178 HE3 TRP 28 3HE TRP 28 0.565 3.060 3.849 179 HZ2 TRP 28 2HZ TRP 28 -1.853 6.400 1.044 180 HZ3 TRP 28 3HZ TRP 28 -1.321 2.394 2.415 181 HH2 TRP 28 HH TRP 28 -2.503 4.031 1.043 182 H THR 29 H THR 29 4.063 6.994 6.574 183 HA THR 29 HA THR 29 2.586 9.225 7.755 184 HB THR 29 HB THR 29 5.557 8.758 7.448 185 HG1 THR 29 1HG THR 29 4.117 7.643 9.119 186 HG21 THR 29 3HG2 THR 29 5.284 11.104 7.339 187 HG22 THR 29 1HG2 THR 29 5.692 10.755 9.018 188 HG23 THR 29 2HG2 THR 29 4.020 11.092 8.568 189 HA PRO 30 HA PRO 30 2.547 10.919 3.575 190 HB2 PRO 30 1HB PRO 30 0.762 12.882 4.152 191 HB3 PRO 30 2HB PRO 30 0.283 11.211 3.833 192 HG2 PRO 30 1HG PRO 30 0.630 12.614 6.455 193 HG3 PRO 30 2HG PRO 30 -0.656 11.506 5.940 194 HD2 PRO 30 1HD PRO 30 1.407 10.716 7.506 195 HD3 PRO 30 2HD PRO 30 0.626 9.632 6.336 196 HA PRO 31 HA PRO 31 5.555 14.098 4.327 197 HB2 PRO 31 1HB PRO 31 5.770 14.961 1.762 198 HB3 PRO 31 2HB PRO 31 6.497 13.454 2.333 199 HG2 PRO 31 1HG PRO 31 3.938 13.875 0.838 200 HG3 PRO 31 2HG PRO 31 5.185 12.638 0.595 201 HD2 PRO 31 1HD PRO 31 2.877 12.139 1.921 202 HD3 PRO 31 2HD PRO 31 4.405 11.333 2.327 203 H LEU 32 H LEU 32 5.826 16.475 3.500 204 HA LEU 32 HA LEU 32 3.377 17.853 4.200 205 HB2 LEU 32 1HB LEU 32 5.370 18.627 5.252 206 HB3 LEU 32 2HB LEU 32 6.195 18.784 3.703 207 HG LEU 32 HG LEU 32 4.670 20.641 3.119 208 HD11 LEU 32 1HD1 LEU 32 3.762 20.546 5.984 209 HD12 LEU 32 2HD1 LEU 32 2.834 19.848 4.656 210 HD13 LEU 32 3HD1 LEU 32 3.168 21.580 4.683 211 HD21 LEU 32 3HD2 LEU 32 5.595 21.831 5.518 212 HD22 LEU 32 1HD2 LEU 32 6.309 21.908 3.907 213 HD23 LEU 32 2HD2 LEU 32 6.784 20.626 5.021 214 H GLY 33 H GLY 33 5.637 17.761 1.458 215 HA2 GLY 33 1HA GLY 33 4.607 19.658 -0.205 216 HA3 GLY 33 2HA GLY 33 5.238 18.123 -0.784 217 H ARG 34 H ARG 34 3.122 19.636 -1.971 218 HA ARG 34 HA ARG 34 0.603 18.487 -1.279 219 HB2 ARG 34 1HB ARG 34 0.623 20.646 -2.325 220 HB3 ARG 34 2HB ARG 34 1.536 20.032 -3.697 221 HG2 ARG 34 1HG ARG 34 -0.690 20.286 -4.429 222 HG3 ARG 34 2HG ARG 34 -0.435 18.554 -4.207 223 HD2 ARG 34 1HD ARG 34 -1.701 18.500 -2.244 224 HD3 ARG 34 2HD ARG 34 -1.592 20.246 -2.019 225 HE ARG 34 HE ARG 34 -2.971 19.552 -4.420 226 HH11 ARG 34 1HH1 ARG 34 -3.320 19.866 -0.970 227 HH12 ARG 34 2HH1 ARG 34 -5.027 20.156 -1.038 228 HH21 ARG 34 1HH2 ARG 34 -5.218 19.932 -4.522 229 HH22 ARG 34 2HH2 ARG 34 -6.106 20.192 -3.059 230 H VAL 35 H VAL 35 0.178 16.400 -1.567 231 HA VAL 35 HA VAL 35 1.277 15.039 -3.932 232 HB VAL 35 HB VAL 35 0.306 13.949 -1.293 233 HG11 VAL 35 1HG1 VAL 35 -0.422 12.210 -2.538 234 HG12 VAL 35 2HG1 VAL 35 0.594 12.633 -3.918 235 HG13 VAL 35 3HG1 VAL 35 1.288 11.779 -2.540 236 HG21 VAL 35 3HG2 VAL 35 2.614 14.899 -1.446 237 HG22 VAL 35 1HG2 VAL 35 2.556 13.193 -1.005 238 HG23 VAL 35 2HG2 VAL 35 2.983 13.664 -2.650 239 H LEU 36 H LEU 36 -0.150 15.175 -5.556 240 HA LEU 36 HA LEU 36 -2.863 15.563 -5.455 241 HB2 LEU 36 1HB LEU 36 -1.472 13.840 -7.496 242 HB3 LEU 36 2HB LEU 36 -2.977 14.733 -7.704 243 HG LEU 36 HG LEU 36 -0.310 16.054 -7.234 244 HD11 LEU 36 1HD1 LEU 36 -1.326 16.385 -9.890 245 HD12 LEU 36 2HD1 LEU 36 -1.139 14.669 -9.531 246 HD13 LEU 36 3HD1 LEU 36 0.236 15.759 -9.361 247 HD21 LEU 36 3HD2 LEU 36 -1.858 17.824 -8.557 248 HD22 LEU 36 1HD2 LEU 36 -1.735 17.744 -6.800 249 HD23 LEU 36 2HD2 LEU 36 -3.084 16.963 -7.625 250 H HIS 37 H HIS 37 -1.417 12.377 -6.156 251 HA HIS 37 HA HIS 37 -3.436 11.126 -4.446 252 HB2 HIS 37 1HB HIS 37 -3.800 9.383 -6.244 253 HB3 HIS 37 2HB HIS 37 -4.486 10.970 -6.579 254 HD1 HIS 37 1HD HIS 37 -2.274 8.436 -7.972 255 HD2 HIS 37 2HD HIS 37 -2.875 12.518 -8.464 256 HE1 HIS 37 1HE HIS 37 -1.157 9.023 -10.148 257 HE2 HIS 37 2HE HIS 37 -1.460 11.512 -10.382 258 H TYR 38 H TYR 38 -2.945 8.840 -3.983 259 HA TYR 38 HA TYR 38 -0.034 8.400 -3.960 260 HB2 TYR 38 1HB TYR 38 -2.198 7.566 -2.032 261 HB3 TYR 38 2HB TYR 38 -0.586 6.860 -2.001 262 HD1 TYR 38 2HD TYR 38 1.393 8.554 -1.825 263 HD2 TYR 38 1HD TYR 38 -2.629 9.476 -0.787 264 HE1 TYR 38 2HE TYR 38 2.186 10.416 -0.427 265 HE2 TYR 38 1HE TYR 38 -1.847 11.341 0.613 266 HH TYR 38 HH TYR 38 1.161 12.648 0.419 267 H TRP 39 H TRP 39 0.252 7.243 -5.822 268 HA TRP 39 HA TRP 39 -1.438 5.216 -6.775 269 HB2 TRP 39 1HB TRP 39 0.379 6.425 -8.062 270 HB3 TRP 39 2HB TRP 39 1.540 5.375 -7.252 271 HD1 TRP 39 HD TRP 39 2.267 3.512 -8.831 272 HE1 TRP 39 1HE TRP 39 1.127 2.028 -10.599 273 HE3 TRP 39 3HE TRP 39 -2.455 5.459 -8.602 274 HZ2 TRP 39 2HZ TRP 39 -1.435 1.724 -11.745 275 HZ3 TRP 39 3HZ TRP 39 -4.192 4.516 -10.068 276 HH2 TRP 39 HH TRP 39 -3.690 2.687 -11.606 277 H LEU 40 H LEU 40 -1.997 3.634 -5.363 278 HA LEU 40 HA LEU 40 0.088 2.250 -3.860 279 HB2 LEU 40 1HB LEU 40 -2.291 3.015 -3.028 280 HB3 LEU 40 2HB LEU 40 -2.786 1.479 -3.736 281 HG LEU 40 HG LEU 40 -0.516 1.481 -1.808 282 HD11 LEU 40 1HD1 LEU 40 -3.341 2.139 -1.158 283 HD12 LEU 40 2HD1 LEU 40 -1.847 2.693 -0.404 284 HD13 LEU 40 3HD1 LEU 40 -2.453 1.070 -0.072 285 HD21 LEU 40 3HD2 LEU 40 -2.738 -0.391 -2.582 286 HD22 LEU 40 1HD2 LEU 40 -1.712 -0.664 -1.173 287 HD23 LEU 40 2HD2 LEU 40 -0.999 -0.608 -2.785 288 H THR 41 H THR 41 0.506 0.053 -4.045 289 HA THR 41 HA THR 41 -0.882 -1.516 -6.052 290 HB THR 41 HB THR 41 1.388 -2.164 -7.083 291 HG1 THR 41 1HG THR 41 2.685 -0.010 -7.005 292 HG21 THR 41 3HG2 THR 41 0.921 -0.815 -8.852 293 HG22 THR 41 1HG2 THR 41 0.779 0.631 -7.853 294 HG23 THR 41 2HG2 THR 41 -0.553 -0.523 -7.929 295 H TYR 42 H TYR 42 -1.380 -3.187 -4.763 296 HA TYR 42 HA TYR 42 0.637 -4.260 -2.941 297 HB2 TYR 42 1HB TYR 42 -1.203 -5.570 -1.987 298 HB3 TYR 42 2HB TYR 42 -1.608 -3.858 -2.039 299 HD1 TYR 42 1HD TYR 42 -3.242 -3.023 -3.700 300 HD2 TYR 42 2HD TYR 42 -2.448 -7.178 -3.245 301 HE1 TYR 42 1HE TYR 42 -5.313 -3.546 -4.919 302 HE2 TYR 42 2HE TYR 42 -4.517 -7.713 -4.464 303 HH TYR 42 HH TYR 42 -6.049 -5.856 -6.389 304 H ALA 43 H ALA 43 1.058 -6.551 -2.857 305 HA ALA 43 HA ALA 43 0.280 -8.197 -5.099 306 HB1 ALA 43 3HB ALA 43 2.013 -7.625 -6.386 307 HB2 ALA 43 1HB ALA 43 2.840 -6.806 -5.061 308 HB3 ALA 43 2HB ALA 43 2.999 -8.552 -5.257 309 HA PRO 44 HA PRO 44 0.974 -11.526 -2.326 310 HB2 PRO 44 1HB PRO 44 2.101 -13.444 -3.882 311 HB3 PRO 44 2HB PRO 44 0.403 -12.972 -4.017 312 HG2 PRO 44 1HG PRO 44 2.739 -12.142 -5.694 313 HG3 PRO 44 2HG PRO 44 1.103 -12.598 -6.203 314 HD2 PRO 44 1HD PRO 44 1.905 -10.019 -6.021 315 HD3 PRO 44 2HD PRO 44 0.233 -10.523 -5.704 316 H ALA 45 H ALA 45 3.501 -9.740 -3.428 317 HA ALA 45 HA ALA 45 5.633 -9.422 -2.692 318 HB1 ALA 45 3HB ALA 45 5.793 -9.686 -0.496 319 HB2 ALA 45 1HB ALA 45 4.311 -10.642 -0.531 320 HB3 ALA 45 2HB ALA 45 5.879 -11.438 -0.676 321 H SER 46 H SER 46 5.205 -11.126 -4.864 322 HA SER 46 HA SER 46 7.697 -12.477 -4.984 323 HB2 SER 46 1HB SER 46 5.245 -14.078 -4.414 324 HB3 SER 46 2HB SER 46 6.426 -14.746 -5.541 325 HG SER 46 HG SER 46 8.000 -14.233 -3.799 326 H GLY 47 H GLY 47 8.314 -12.845 -7.074 327 HA2 GLY 47 1HA GLY 47 6.630 -11.706 -9.124 328 HA3 GLY 47 2HA GLY 47 8.270 -12.303 -9.329 329 H LEU 48 H LEU 48 5.057 -13.625 -8.518 330 HA LEU 48 HA LEU 48 5.562 -15.754 -10.491 331 HB2 LEU 48 1HB LEU 48 3.978 -16.083 -7.953 332 HB3 LEU 48 2HB LEU 48 4.444 -17.340 -9.097 333 HG LEU 48 HG LEU 48 6.539 -15.795 -7.618 334 HD11 LEU 48 1HD1 LEU 48 5.929 -18.314 -6.368 335 HD12 LEU 48 2HD1 LEU 48 4.535 -17.235 -6.316 336 HD13 LEU 48 3HD1 LEU 48 6.081 -16.710 -5.650 337 HD21 LEU 48 3HD2 LEU 48 7.323 -18.395 -7.829 338 HD22 LEU 48 1HD2 LEU 48 7.729 -17.121 -8.978 339 HD23 LEU 48 2HD2 LEU 48 6.363 -18.191 -9.294 340 H GLY 49 H GLY 49 3.072 -13.923 -8.739 341 HA2 GLY 49 1HA GLY 49 1.199 -14.501 -10.942 342 HA3 GLY 49 2HA GLY 49 0.726 -14.035 -9.315 343 HA PRO 50 HA PRO 50 0.715 -10.325 -12.200 344 HB2 PRO 50 1HB PRO 50 -1.918 -9.733 -11.910 345 HB3 PRO 50 2HB PRO 50 -1.312 -10.836 -13.152 346 HG2 PRO 50 1HG PRO 50 -2.548 -11.465 -10.499 347 HG3 PRO 50 2HG PRO 50 -2.827 -12.232 -12.073 348 HD2 PRO 50 1HD PRO 50 -1.221 -13.323 -10.185 349 HD3 PRO 50 2HD PRO 50 -0.922 -13.521 -11.923 350 H GLU 51 H GLU 51 0.052 -8.086 -11.598 351 HA GLU 51 HA GLU 51 0.042 -7.737 -8.671 352 HB2 GLU 51 1HB GLU 51 2.193 -7.072 -9.458 353 HB3 GLU 51 2HB GLU 51 1.498 -6.171 -10.797 354 HG2 GLU 51 1HG GLU 51 0.739 -5.354 -8.053 355 HG3 GLU 51 2HG GLU 51 2.376 -4.992 -8.597 356 H LYS 52 H LYS 52 -1.338 -6.260 -7.801 357 HA LYS 52 HA LYS 52 -3.323 -5.119 -9.633 358 HB2 LYS 52 1HB LYS 52 -3.395 -5.665 -6.664 359 HB3 LYS 52 2HB LYS 52 -4.666 -4.803 -7.520 360 HG2 LYS 52 1HG LYS 52 -3.829 -7.504 -8.467 361 HG3 LYS 52 2HG LYS 52 -4.888 -7.353 -7.063 362 HD2 LYS 52 1HD LYS 52 -6.588 -6.340 -8.309 363 HD3 LYS 52 2HD LYS 52 -5.494 -5.922 -9.630 364 HE2 LYS 52 1HE LYS 52 -5.361 -8.183 -10.344 365 HE3 LYS 52 2HE LYS 52 -6.158 -8.762 -8.882 366 HZ1 LYS 52 3HZ LYS 52 -7.361 -7.250 -11.128 367 HZ2 LYS 52 1HZ LYS 52 -8.141 -7.445 -9.639 368 HZ3 LYS 52 2HZ LYS 52 -7.766 -8.799 -10.580 369 H SER 53 H SER 53 -4.361 -3.029 -8.557 370 HA SER 53 HA SER 53 -2.524 -1.263 -7.255 371 HB2 SER 53 1HB SER 53 -2.313 0.363 -9.094 372 HB3 SER 53 2HB SER 53 -1.585 -1.184 -9.522 373 HG SER 53 HG SER 53 -3.648 0.134 -10.690 374 H VAL 54 H VAL 54 -3.671 0.140 -6.096 375 HA VAL 54 HA VAL 54 -6.385 0.833 -7.010 376 HB VAL 54 HB VAL 54 -7.096 0.885 -4.632 377 HG11 VAL 54 1HG1 VAL 54 -7.341 -1.516 -4.378 378 HG12 VAL 54 2HG1 VAL 54 -7.549 -1.060 -6.070 379 HG13 VAL 54 3HG1 VAL 54 -6.037 -1.793 -5.533 380 HG21 VAL 54 3HG2 VAL 54 -5.667 -0.379 -3.002 381 HG22 VAL 54 1HG2 VAL 54 -4.362 -0.299 -4.186 382 HG23 VAL 54 2HG2 VAL 54 -5.021 1.186 -3.497 383 H SER 55 H SER 55 -7.016 2.931 -6.766 384 HA SER 55 HA SER 55 -4.917 4.848 -6.209 385 HB2 SER 55 1HB SER 55 -6.249 5.319 -8.140 386 HB3 SER 55 2HB SER 55 -7.748 5.136 -7.229 387 HG SER 55 HG SER 55 -5.833 7.096 -6.548 388 H VAL 56 H VAL 56 -4.942 6.406 -4.607 389 HA VAL 56 HA VAL 56 -7.035 6.169 -2.553 390 HB VAL 56 HB VAL 56 -4.064 6.317 -2.022 391 HG11 VAL 56 1HG1 VAL 56 -5.855 7.538 -0.497 392 HG12 VAL 56 2HG1 VAL 56 -6.052 5.906 0.145 393 HG13 VAL 56 3HG1 VAL 56 -4.472 6.688 0.190 394 HG21 VAL 56 3HG2 VAL 56 -4.576 4.130 -0.822 395 HG22 VAL 56 1HG2 VAL 56 -6.101 4.131 -1.708 396 HG23 VAL 56 2HG2 VAL 56 -4.572 4.089 -2.585 397 HA PRO 57 HA PRO 57 -7.164 10.566 -2.968 398 HB2 PRO 57 1HB PRO 57 -8.614 11.101 -0.736 399 HB3 PRO 57 2HB PRO 57 -9.324 10.412 -2.200 400 HG2 PRO 57 1HG PRO 57 -8.470 9.037 0.318 401 HG3 PRO 57 2HG PRO 57 -9.934 8.788 -0.652 402 HD2 PRO 57 1HD PRO 57 -7.789 7.143 -0.802 403 HD3 PRO 57 2HD PRO 57 -8.839 7.473 -2.195 404 H GLY 58 H GLY 58 -5.251 11.565 -2.636 405 HA2 GLY 58 1HA GLY 58 -3.366 11.364 -0.760 406 HA3 GLY 58 2HA GLY 58 -3.818 12.933 -1.410 407 H ALA 59 H ALA 59 -6.472 12.921 -0.239 408 HA ALA 59 HA ALA 59 -6.140 14.346 2.039 409 HB1 ALA 59 3HB ALA 59 -8.431 13.793 2.645 410 HB2 ALA 59 1HB ALA 59 -8.293 14.066 0.907 411 HB3 ALA 59 2HB ALA 59 -8.407 12.422 1.536 412 H ARG 60 H ARG 60 -6.595 10.819 1.904 413 HA ARG 60 HA ARG 60 -5.785 10.656 4.721 414 HB2 ARG 60 1HB ARG 60 -6.733 8.412 4.708 415 HB3 ARG 60 2HB ARG 60 -7.916 9.579 4.132 416 HG2 ARG 60 1HG ARG 60 -7.051 8.900 1.779 417 HG3 ARG 60 2HG ARG 60 -6.446 7.470 2.618 418 HD2 ARG 60 1HD ARG 60 -9.266 8.317 3.068 419 HD3 ARG 60 2HD ARG 60 -8.853 7.513 1.554 420 HE ARG 60 HE ARG 60 -7.778 5.866 3.379 421 HH11 ARG 60 1HH1 ARG 60 -10.928 7.325 3.121 422 HH12 ARG 60 2HH1 ARG 60 -11.741 6.020 3.920 423 HH21 ARG 60 1HH2 ARG 60 -8.837 4.142 4.432 424 HH22 ARG 60 2HH2 ARG 60 -10.551 4.210 4.666 425 H SER 61 H SER 61 -4.212 9.113 5.380 426 HA SER 61 HA SER 61 -2.285 8.456 3.253 427 HB2 SER 61 1HB SER 61 -0.603 8.411 5.148 428 HB3 SER 61 2HB SER 61 -1.287 9.996 4.785 429 HG SER 61 HG SER 61 -1.228 9.447 7.056 430 H HIS 62 H HIS 62 -4.541 6.803 3.933 431 HA HIS 62 HA HIS 62 -3.165 4.317 4.282 432 HB2 HIS 62 1HB HIS 62 -4.392 3.567 6.272 433 HB3 HIS 62 2HB HIS 62 -3.390 4.969 6.635 434 HD1 HIS 62 1HD HIS 62 -4.552 7.033 7.502 435 HD2 HIS 62 2HD HIS 62 -7.204 4.127 6.167 436 HE1 HIS 62 1HE HIS 62 -6.830 7.818 8.225 437 HE2 HIS 62 2HE HIS 62 -8.408 6.002 7.481 438 H VAL 63 H VAL 63 -4.485 2.490 3.808 439 HA VAL 63 HA VAL 63 -7.258 2.852 3.120 440 HB VAL 63 HB VAL 63 -6.045 3.763 1.124 441 HG11 VAL 63 1HG1 VAL 63 -4.116 2.547 0.828 442 HG12 VAL 63 2HG1 VAL 63 -4.906 1.006 1.168 443 HG13 VAL 63 3HG1 VAL 63 -5.166 1.809 -0.381 444 HG21 VAL 63 3HG2 VAL 63 -7.850 1.377 0.930 445 HG22 VAL 63 1HG2 VAL 63 -8.232 3.083 0.698 446 HG23 VAL 63 2HG2 VAL 63 -7.291 2.217 -0.517 447 H THR 64 H THR 64 -8.340 0.888 2.700 448 HA THR 64 HA THR 64 -6.859 -1.467 3.627 449 HB THR 64 HB THR 64 -9.851 -1.270 3.325 450 HG1 THR 64 1HG THR 64 -8.162 -0.339 5.387 451 HG21 THR 64 3HG2 THR 64 -9.198 -2.864 5.492 452 HG22 THR 64 1HG2 THR 64 -7.964 -3.258 4.296 453 HG23 THR 64 2HG2 THR 64 -9.672 -3.428 3.890 454 H LEU 65 H LEU 65 -6.651 -3.291 2.427 455 HA LEU 65 HA LEU 65 -7.638 -3.158 -0.341 456 HB2 LEU 65 1HB LEU 65 -5.357 -4.764 0.803 457 HB3 LEU 65 2HB LEU 65 -5.836 -4.713 -0.893 458 HG LEU 65 HG LEU 65 -4.937 -2.249 0.573 459 HD11 LEU 65 1HD1 LEU 65 -3.156 -3.882 0.801 460 HD12 LEU 65 2HD1 LEU 65 -2.703 -2.634 -0.360 461 HD13 LEU 65 3HD1 LEU 65 -3.221 -4.221 -0.929 462 HD21 LEU 65 3HD2 LEU 65 -4.210 -1.831 -1.915 463 HD22 LEU 65 1HD2 LEU 65 -5.874 -1.555 -1.399 464 HD23 LEU 65 2HD2 LEU 65 -5.451 -3.039 -2.253 465 HA PRO 66 HA PRO 66 -10.294 -6.455 1.313 466 HB2 PRO 66 1HB PRO 66 -12.183 -6.179 -0.617 467 HB3 PRO 66 2HB PRO 66 -12.113 -5.144 0.814 468 HG2 PRO 66 1HG PRO 66 -11.130 -4.608 -1.962 469 HG3 PRO 66 2HG PRO 66 -12.007 -3.532 -0.859 470 HD2 PRO 66 1HD PRO 66 -9.328 -3.380 -1.218 471 HD3 PRO 66 2HD PRO 66 -10.107 -2.995 0.330 472 H ASP 67 H ASP 67 -11.448 -8.281 0.002 473 HA ASP 67 HA ASP 67 -11.193 -10.177 -1.229 474 HB2 ASP 67 1HB ASP 67 -10.348 -7.999 -3.074 475 HB3 ASP 67 2HB ASP 67 -9.995 -9.656 -3.558 476 H LEU 68 H LEU 68 -9.387 -10.097 0.715 477 HA LEU 68 HA LEU 68 -6.832 -10.845 -0.543 478 HB2 LEU 68 1HB LEU 68 -7.514 -9.575 2.064 479 HB3 LEU 68 2HB LEU 68 -6.072 -10.583 1.962 480 HG LEU 68 HG LEU 68 -6.640 -8.058 0.414 481 HD11 LEU 68 1HD1 LEU 68 -5.957 -7.661 2.700 482 HD12 LEU 68 2HD1 LEU 68 -4.645 -7.241 1.600 483 HD13 LEU 68 3HD1 LEU 68 -4.585 -8.752 2.508 484 HD21 LEU 68 3HD2 LEU 68 -4.906 -10.293 -0.197 485 HD22 LEU 68 1HD2 LEU 68 -3.996 -8.797 0.014 486 HD23 LEU 68 2HD2 LEU 68 -5.304 -8.873 -1.167 487 H GLN 69 H GLN 69 -5.625 -12.586 0.585 488 HA GLN 69 HA GLN 69 -7.474 -14.733 1.320 489 HB2 GLN 69 1HB GLN 69 -4.549 -14.876 0.568 490 HB3 GLN 69 2HB GLN 69 -5.612 -16.250 0.842 491 HG2 GLN 69 1HG GLN 69 -6.983 -15.560 -1.065 492 HG3 GLN 69 2HG GLN 69 -5.893 -14.203 -1.346 493 HE21 GLN 69 1HE2 GLN 69 -5.987 -15.466 -3.481 494 HE22 GLN 69 2HE2 GLN 69 -4.728 -16.625 -3.717 495 H ALA 70 H ALA 70 -6.183 -16.425 2.818 496 HA ALA 70 HA ALA 70 -5.425 -14.889 5.213 497 HB1 ALA 70 3HB ALA 70 -7.244 -16.036 5.948 498 HB2 ALA 70 1HB ALA 70 -7.008 -17.363 4.809 499 HB3 ALA 70 2HB ALA 70 -6.014 -17.259 6.263 500 H ALA 71 H ALA 71 -3.613 -15.442 6.383 501 HA ALA 71 HA ALA 71 -1.509 -16.221 6.765 502 HB1 ALA 71 3HB ALA 71 -3.091 -18.475 6.279 503 HB2 ALA 71 1HB ALA 71 -1.611 -18.724 5.352 504 HB3 ALA 71 2HB ALA 71 -1.525 -18.418 7.088 505 H THR 72 H THR 72 -1.806 -14.547 4.570 506 HA THR 72 HA THR 72 0.495 -15.348 2.995 507 HB THR 72 HB THR 72 -2.135 -14.682 1.657 508 HG1 THR 72 1HG THR 72 -1.954 -16.826 0.874 509 HG21 THR 72 3HG2 THR 72 -1.046 -14.663 -0.391 510 HG22 THR 72 1HG2 THR 72 0.354 -15.537 0.229 511 HG23 THR 72 2HG2 THR 72 0.116 -13.842 0.651 512 H LYS 73 H LYS 73 1.740 -13.640 3.475 513 HA LYS 73 HA LYS 73 0.892 -11.051 4.051 514 HB2 LYS 73 1HB LYS 73 3.197 -10.381 3.785 515 HB3 LYS 73 2HB LYS 73 3.148 -11.962 4.555 516 HG2 LYS 73 1HG LYS 73 3.595 -11.566 1.608 517 HG3 LYS 73 2HG LYS 73 4.898 -11.685 2.792 518 HD2 LYS 73 1HD LYS 73 3.748 -13.890 3.492 519 HD3 LYS 73 2HD LYS 73 2.925 -13.774 1.935 520 HE2 LYS 73 1HE LYS 73 5.910 -13.557 2.154 521 HE3 LYS 73 2HE LYS 73 5.108 -15.123 2.060 522 HZ1 LYS 73 3HZ LYS 73 5.760 -14.426 -0.124 523 HZ2 LYS 73 1HZ LYS 73 4.967 -12.942 0.051 524 HZ3 LYS 73 2HZ LYS 73 4.071 -14.374 -0.028 525 H TYR 74 H TYR 74 1.710 -9.097 2.692 526 HA TYR 74 HA TYR 74 1.412 -9.453 -0.171 527 HB2 TYR 74 1HB TYR 74 -0.629 -8.042 1.529 528 HB3 TYR 74 2HB TYR 74 -0.386 -7.592 -0.155 529 HD1 TYR 74 2HD TYR 74 -1.294 -10.425 2.062 530 HD2 TYR 74 1HD TYR 74 -1.351 -8.855 -1.893 531 HE1 TYR 74 2HE TYR 74 -2.791 -12.248 1.366 532 HE2 TYR 74 1HE TYR 74 -2.849 -10.674 -2.599 533 HH TYR 74 HH TYR 74 -4.012 -13.100 -0.282 534 H ARG 75 H ARG 75 3.051 -8.325 -0.962 535 HA ARG 75 HA ARG 75 4.337 -6.226 0.460 536 HB2 ARG 75 1HB ARG 75 5.191 -7.885 -1.434 537 HB3 ARG 75 2HB ARG 75 4.737 -6.543 -2.476 538 HG2 ARG 75 1HG ARG 75 6.171 -5.082 -0.983 539 HG3 ARG 75 2HG ARG 75 6.787 -6.582 -0.286 540 HD2 ARG 75 1HD ARG 75 7.126 -7.180 -2.851 541 HD3 ARG 75 2HD ARG 75 7.199 -5.424 -2.989 542 HE ARG 75 HE ARG 75 8.919 -5.877 -0.996 543 HH11 ARG 75 1HH1 ARG 75 8.549 -7.399 -4.105 544 HH12 ARG 75 2HH1 ARG 75 10.230 -7.789 -4.260 545 HH21 ARG 75 1HH2 ARG 75 11.135 -6.385 -1.188 546 HH22 ARG 75 2HH2 ARG 75 11.700 -7.213 -2.599 547 H VAL 76 H VAL 76 3.261 -4.377 0.803 548 HA VAL 76 HA VAL 76 1.554 -3.243 -1.256 549 HB VAL 76 HB VAL 76 2.196 -2.244 1.522 550 HG11 VAL 76 1HG1 VAL 76 1.354 -0.675 -0.477 551 HG12 VAL 76 2HG1 VAL 76 -0.201 -1.309 0.065 552 HG13 VAL 76 3HG1 VAL 76 0.847 -0.454 1.197 553 HG21 VAL 76 3HG2 VAL 76 -0.167 -3.753 0.414 554 HG22 VAL 76 1HG2 VAL 76 0.975 -4.300 1.642 555 HG23 VAL 76 2HG2 VAL 76 -0.140 -2.981 1.999 556 H LEU 77 H LEU 77 2.347 -1.957 -2.773 557 HA LEU 77 HA LEU 77 4.800 -0.438 -2.210 558 HB2 LEU 77 1HB LEU 77 3.603 -1.573 -4.696 559 HB3 LEU 77 2HB LEU 77 4.674 -0.178 -4.811 560 HG LEU 77 HG LEU 77 6.241 -1.773 -3.356 561 HD11 LEU 77 1HD1 LEU 77 4.983 -3.803 -5.140 562 HD12 LEU 77 2HD1 LEU 77 4.297 -3.507 -3.543 563 HD13 LEU 77 3HD1 LEU 77 5.974 -4.028 -3.699 564 HD21 LEU 77 3HD2 LEU 77 5.890 -1.925 -6.348 565 HD22 LEU 77 1HD2 LEU 77 7.326 -2.429 -5.455 566 HD23 LEU 77 2HD2 LEU 77 6.846 -0.732 -5.467 567 H VAL 78 H VAL 78 4.473 1.613 -1.683 568 HA VAL 78 HA VAL 78 2.220 3.048 -2.929 569 HB VAL 78 HB VAL 78 3.574 3.840 -0.356 570 HG11 VAL 78 1HG1 VAL 78 2.325 5.589 -1.528 571 HG12 VAL 78 2HG1 VAL 78 0.891 4.559 -1.536 572 HG13 VAL 78 3HG1 VAL 78 1.548 5.149 -0.008 573 HG21 VAL 78 3HG2 VAL 78 1.693 2.803 0.826 574 HG22 VAL 78 1HG2 VAL 78 1.092 2.160 -0.702 575 HG23 VAL 78 2HG2 VAL 78 2.640 1.609 -0.061 576 H SER 79 H SER 79 2.541 5.219 -3.575 577 HA SER 79 HA SER 79 5.201 6.347 -3.529 578 HB2 SER 79 1HB SER 79 3.919 5.613 -6.172 579 HB3 SER 79 2HB SER 79 5.419 6.519 -5.969 580 HG SER 79 HG SER 79 4.918 3.824 -5.240 581 H ALA 80 H ALA 80 5.002 8.463 -3.249 582 HA ALA 80 HA ALA 80 2.451 9.747 -3.464 583 HB1 ALA 80 3HB ALA 80 3.336 11.216 -2.046 584 HB2 ALA 80 1HB ALA 80 4.778 10.201 -2.026 585 HB3 ALA 80 2HB ALA 80 4.676 11.568 -3.137 586 H ILE 81 H ILE 81 1.637 10.865 -5.116 587 HA ILE 81 HA ILE 81 3.335 11.299 -7.464 588 HB ILE 81 HB ILE 81 0.338 11.269 -7.136 589 HG12 ILE 81 1HG1 ILE 81 0.388 9.291 -8.438 590 HG13 ILE 81 2HG1 ILE 81 2.049 9.574 -8.948 591 HG21 ILE 81 1HG2 ILE 81 0.169 12.605 -8.902 592 HG22 ILE 81 2HG2 ILE 81 1.921 12.646 -9.094 593 HG23 ILE 81 3HG2 ILE 81 0.980 11.368 -9.861 594 HD11 ILE 81 3HD1 ILE 81 2.911 8.929 -6.875 595 HD12 ILE 81 1HD1 ILE 81 1.341 9.066 -6.082 596 HD13 ILE 81 2HD1 ILE 81 1.642 7.756 -7.225 597 H TYR 82 H TYR 82 4.036 13.260 -7.980 598 HA TYR 82 HA TYR 82 2.665 15.592 -6.808 599 HB2 TYR 82 1HB TYR 82 5.605 15.355 -7.474 600 HB3 TYR 82 2HB TYR 82 4.812 16.731 -6.715 601 HD1 TYR 82 1HD TYR 82 4.126 16.641 -4.381 602 HD2 TYR 82 2HD TYR 82 6.074 13.334 -6.217 603 HE1 TYR 82 1HE TYR 82 4.556 15.670 -2.162 604 HE2 TYR 82 2HE TYR 82 6.508 12.353 -4.003 605 HH TYR 82 HH TYR 82 5.128 13.704 -1.092 606 H ALA 83 H ALA 83 3.019 17.633 -8.059 607 HA ALA 83 HA ALA 83 1.983 17.503 -10.593 608 HB1 ALA 83 3HB ALA 83 3.281 19.547 -8.975 609 HB2 ALA 83 1HB ALA 83 3.489 19.798 -10.708 610 HB3 ALA 83 2HB ALA 83 1.868 19.659 -10.025 611 H ALA 84 H ALA 84 5.420 17.768 -9.715 612 HA ALA 84 HA ALA 84 6.352 17.697 -12.403 613 HB1 ALA 84 3HB ALA 84 8.435 16.817 -10.768 614 HB2 ALA 84 1HB ALA 84 8.139 18.462 -11.330 615 HB3 ALA 84 2HB ALA 84 7.500 17.933 -9.773 616 H GLY 85 H GLY 85 6.328 15.255 -9.802 617 HA2 GLY 85 1HA GLY 85 5.696 13.122 -11.543 618 HA3 GLY 85 2HA GLY 85 7.432 13.152 -11.270 619 H ARG 86 H ARG 86 6.081 10.948 -10.507 620 HA ARG 86 HA ARG 86 5.407 11.171 -7.689 621 HB2 ARG 86 1HB ARG 86 4.838 8.788 -7.856 622 HB3 ARG 86 2HB ARG 86 4.033 9.732 -9.102 623 HG2 ARG 86 1HG ARG 86 5.236 8.789 -10.794 624 HG3 ARG 86 2HG ARG 86 6.634 8.464 -9.767 625 HD2 ARG 86 1HD ARG 86 5.178 6.748 -8.589 626 HD3 ARG 86 2HD ARG 86 4.041 6.949 -9.922 627 HE ARG 86 HE ARG 86 6.350 6.419 -11.199 628 HH11 ARG 86 1HH1 ARG 86 4.705 4.852 -8.561 629 HH12 ARG 86 2HH1 ARG 86 5.301 3.274 -8.955 630 HH21 ARG 86 1HH2 ARG 86 7.140 4.346 -11.729 631 HH22 ARG 86 2HH2 ARG 86 6.687 2.987 -10.757 632 H SER 87 H SER 87 6.552 10.258 -6.010 633 HA SER 87 HA SER 87 9.378 10.025 -6.398 634 HB2 SER 87 1HB SER 87 9.421 9.567 -3.948 635 HB3 SER 87 2HB SER 87 8.535 11.035 -4.359 636 HG SER 87 HG SER 87 7.583 8.575 -3.422 637 H GLU 88 H GLU 88 10.515 8.128 -5.190 638 HA GLU 88 HA GLU 88 10.191 5.814 -6.667 639 HB2 GLU 88 1HB GLU 88 11.770 4.799 -5.238 640 HB3 GLU 88 2HB GLU 88 12.174 6.509 -5.229 641 HG2 GLU 88 1HG GLU 88 11.219 6.815 -3.082 642 HG3 GLU 88 2HG GLU 88 10.485 5.213 -3.111 643 H ALA 89 H ALA 89 9.761 3.588 -5.666 644 HA ALA 89 HA ALA 89 7.193 3.726 -4.234 645 HB1 ALA 89 3HB ALA 89 8.277 1.656 -6.135 646 HB2 ALA 89 1HB ALA 89 6.795 1.454 -5.200 647 HB3 ALA 89 2HB ALA 89 6.917 2.749 -6.392 648 H VAL 90 H VAL 90 7.120 3.003 -2.215 649 HA VAL 90 HA VAL 90 9.377 1.449 -1.184 650 HB VAL 90 HB VAL 90 8.366 1.962 1.060 651 HG11 VAL 90 1HG1 VAL 90 9.438 3.996 1.205 652 HG12 VAL 90 2HG1 VAL 90 10.137 3.340 -0.277 653 HG13 VAL 90 3HG1 VAL 90 8.847 4.540 -0.364 654 HG21 VAL 90 3HG2 VAL 90 6.819 4.221 0.132 655 HG22 VAL 90 1HG2 VAL 90 6.161 2.697 -0.465 656 HG23 VAL 90 2HG2 VAL 90 6.378 2.945 1.267 657 H SER 91 H SER 91 9.211 -0.643 -0.712 658 HA SER 91 HA SER 91 6.602 -1.929 -0.966 659 HB2 SER 91 1HB SER 91 7.732 -3.911 -1.438 660 HB3 SER 91 2HB SER 91 8.824 -2.700 -2.110 661 HG SER 91 HG SER 91 10.219 -3.703 -0.880 662 H ALA 92 H ALA 92 5.919 -3.551 0.572 663 HA ALA 92 HA ALA 92 7.165 -3.764 3.134 664 HB1 ALA 92 3HB ALA 92 4.770 -1.981 2.828 665 HB2 ALA 92 1HB ALA 92 5.153 -2.776 4.355 666 HB3 ALA 92 2HB ALA 92 6.301 -1.646 3.637 667 H THR 93 H THR 93 6.841 -5.843 3.543 668 HA THR 93 HA THR 93 4.436 -7.174 2.581 669 HB THR 93 HB THR 93 5.565 -9.256 3.405 670 HG1 THR 93 1HG THR 93 7.984 -8.716 3.709 671 HG21 THR 93 3HG2 THR 93 7.595 -7.970 1.683 672 HG22 THR 93 1HG2 THR 93 5.934 -7.929 1.093 673 HG23 THR 93 2HG2 THR 93 6.704 -9.474 1.455 674 H GLY 94 H GLY 94 2.829 -7.962 3.843 675 HA2 GLY 94 1HA GLY 94 3.178 -7.902 6.759 676 HA3 GLY 94 2HA GLY 94 1.849 -6.996 6.051 677 H GLN 95 H GLN 95 2.858 -9.986 7.251 678 HA GLN 95 HA GLN 95 1.284 -11.804 5.842 679 HB2 GLN 95 1HB GLN 95 2.972 -12.547 7.412 680 HB3 GLN 95 2HB GLN 95 2.103 -11.807 8.751 681 HG2 GLN 95 1HG GLN 95 0.218 -13.367 8.303 682 HG3 GLN 95 2HG GLN 95 1.233 -14.168 7.105 683 HE21 GLN 95 1HE2 GLN 95 0.596 -15.940 8.699 684 HE22 GLN 95 2HE2 GLN 95 1.713 -16.239 9.982 685 H THR 96 H THR 96 -0.824 -12.320 5.841 686 HA THR 96 HA THR 96 -2.682 -10.538 7.105 687 HB THR 96 HB THR 96 -4.374 -12.262 6.125 688 HG1 THR 96 1HG THR 96 -3.476 -13.538 4.477 689 HG21 THR 96 3HG2 THR 96 -4.530 -10.494 4.767 690 HG22 THR 96 1HG2 THR 96 -3.360 -11.302 3.725 691 HG23 THR 96 2HG2 THR 96 -2.812 -10.132 4.926 692 H ALA 97 H ALA 97 -4.776 -11.828 7.985 693 HA ALA 97 HA ALA 97 -3.873 -13.019 10.451 694 HB1 ALA 97 3HB ALA 97 -6.168 -12.909 11.150 695 HB2 ALA 97 1HB ALA 97 -5.748 -11.395 10.348 696 HB3 ALA 97 2HB ALA 97 -6.702 -12.609 9.496 697 H CYS 98 H CYS 98 -4.217 -15.101 11.160 698 HA CYS 98 HA CYS 98 -4.593 -17.078 9.063 699 HB2 CYS 98 1HB CYS 98 -3.685 -18.666 10.589 700 HB3 CYS 98 2HB CYS 98 -2.730 -17.200 10.771 701 HG CYS 98 HG CYS 98 -5.333 -17.760 12.884 702 HA PRO 99 HA PRO 99 -8.752 -18.089 10.052 703 HB2 PRO 99 1HB PRO 99 -8.798 -20.699 9.304 704 HB3 PRO 99 2HB PRO 99 -8.750 -19.367 8.143 705 HG2 PRO 99 1HG PRO 99 -6.516 -21.091 9.141 706 HG3 PRO 99 2HG PRO 99 -6.854 -20.544 7.489 707 HD2 PRO 99 1HD PRO 99 -4.987 -19.369 9.060 708 HD3 PRO 99 2HD PRO 99 -5.925 -18.466 7.853 709 H SER 100 H SER 100 -6.312 -20.446 11.125 710 HA SER 100 HA SER 100 -7.616 -20.565 13.731 711 HB2 SER 100 1HB SER 100 -7.624 -23.017 13.768 712 HB3 SER 100 2HB SER 100 -8.622 -22.414 12.444 713 HG SER 100 HG SER 100 -7.349 -24.028 11.619 714 H GLY 101 H GLY 101 -6.242 -21.114 15.423 715 HA2 GLY 101 1HA GLY 101 -3.492 -21.868 14.812 716 HA3 GLY 101 2HA GLY 101 -3.722 -20.294 15.559 717 HA PRO 102 HA PRO 102 -3.117 -23.285 18.998 718 HB2 PRO 102 1HB PRO 102 -1.659 -21.571 20.516 719 HB3 PRO 102 2HB PRO 102 -0.946 -22.577 19.249 720 HG2 PRO 102 1HG PRO 102 -1.739 -19.691 19.156 721 HG3 PRO 102 2HG PRO 102 -0.280 -20.472 18.519 722 HD2 PRO 102 1HD PRO 102 -2.383 -19.814 16.947 723 HD3 PRO 102 2HD PRO 102 -1.356 -21.226 16.626 724 H SER 103 H SER 103 -4.448 -20.117 18.698 725 HA SER 103 HA SER 103 -5.426 -19.942 21.399 726 HB2 SER 103 1HB SER 103 -6.492 -17.899 20.698 727 HB3 SER 103 2HB SER 103 -4.885 -17.944 19.975 728 HG SER 103 HG SER 103 -6.323 -19.076 18.198 729 H SER 104 H SER 104 -6.358 -21.652 18.674 730 HA SER 104 HA SER 104 -9.205 -21.538 19.071 731 HB2 SER 104 1HB SER 104 -8.302 -21.954 16.838 732 HB3 SER 104 2HB SER 104 -7.514 -23.424 17.410 733 HG SER 104 HG SER 104 -9.808 -23.996 18.053 734 H GLY 105 H GLY 105 -6.641 -23.917 19.703 735 HA2 GLY 105 1HA GLY 105 -6.537 -25.656 21.199 736 HA3 GLY 105 2HA GLY 105 -7.841 -24.866 22.073 Start of MODEL 5 1 H1 GLY 1 H GLY 1 9.068 28.060 -11.330 2 HA2 GLY 1 1HA GLY 1 6.814 27.251 -12.930 3 HA3 GLY 1 2HA GLY 1 7.796 26.213 -11.906 4 H SER 2 H SER 2 6.764 25.348 -10.245 5 HA SER 2 HA SER 2 4.291 26.619 -9.311 6 HB2 SER 2 1HB SER 2 3.698 24.453 -8.389 7 HB3 SER 2 2HB SER 2 4.194 24.246 -10.069 8 HG SER 2 HG SER 2 6.241 24.036 -8.246 9 H SER 3 H SER 3 3.938 27.121 -7.174 10 HA SER 3 HA SER 3 6.134 27.941 -5.641 11 HB2 SER 3 1HB SER 3 3.233 27.509 -4.920 12 HB3 SER 3 2HB SER 3 4.409 28.167 -3.783 13 HG SER 3 HG SER 3 4.447 29.996 -4.860 14 H GLY 4 H GLY 4 6.691 27.222 -3.439 15 HA2 GLY 4 1HA GLY 4 7.490 25.608 -2.016 16 HA3 GLY 4 2HA GLY 4 5.996 24.748 -2.356 17 H SER 5 H SER 5 9.348 25.162 -3.280 18 HA SER 5 HA SER 5 9.174 22.698 -4.884 19 HB2 SER 5 1HB SER 5 11.292 23.458 -5.945 20 HB3 SER 5 2HB SER 5 9.965 24.593 -6.187 21 HG SER 5 HG SER 5 12.248 25.258 -5.335 22 H SER 6 H SER 6 9.306 21.361 -3.017 23 HA SER 6 HA SER 6 11.858 21.438 -1.570 24 HB2 SER 6 1HB SER 6 10.766 19.932 0.051 25 HB3 SER 6 2HB SER 6 9.844 21.419 -0.172 26 HG SER 6 HG SER 6 8.363 19.823 -0.314 27 H GLY 7 H GLY 7 9.728 19.216 -3.339 28 HA2 GLY 7 1HA GLY 7 11.022 17.803 -4.979 29 HA3 GLY 7 2HA GLY 7 12.022 17.373 -3.599 30 H ARG 8 H ARG 8 10.594 15.552 -5.272 31 HA ARG 8 HA ARG 8 8.194 14.711 -3.980 32 HB2 ARG 8 1HB ARG 8 10.010 13.162 -5.838 33 HB3 ARG 8 2HB ARG 8 8.361 12.731 -5.408 34 HG2 ARG 8 1HG ARG 8 7.444 14.444 -6.669 35 HG3 ARG 8 2HG ARG 8 8.949 15.366 -6.687 36 HD2 ARG 8 1HD ARG 8 8.834 12.671 -7.973 37 HD3 ARG 8 2HD ARG 8 8.181 14.075 -8.817 38 HE ARG 8 HE ARG 8 10.964 13.495 -8.287 39 HH11 ARG 8 1HH1 ARG 8 8.608 15.895 -9.187 40 HH12 ARG 8 2HH1 ARG 8 9.766 16.936 -9.946 41 HH21 ARG 8 1HH2 ARG 8 12.498 14.857 -9.283 42 HH22 ARG 8 2HH2 ARG 8 11.979 16.344 -10.001 43 H SER 9 H SER 9 7.957 13.528 -2.203 44 HA SER 9 HA SER 9 10.257 11.950 -1.250 45 HB2 SER 9 1HB SER 9 9.626 14.120 0.040 46 HB3 SER 9 2HB SER 9 8.264 13.174 0.638 47 HG SER 9 HG SER 9 10.785 12.001 0.770 48 HA PRO 10 HA PRO 10 7.320 8.626 -1.557 49 HB2 PRO 10 1HB PRO 10 8.956 6.704 -0.558 50 HB3 PRO 10 2HB PRO 10 9.101 7.327 -2.206 51 HG2 PRO 10 1HG PRO 10 10.680 8.041 0.235 52 HG3 PRO 10 2HG PRO 10 11.247 7.755 -1.420 53 HD2 PRO 10 1HD PRO 10 10.907 10.243 -0.407 54 HD3 PRO 10 2HD PRO 10 10.653 9.868 -2.124 55 HA PRO 11 HA PRO 11 5.565 8.304 2.470 56 HB2 PRO 11 1HB PRO 11 4.279 5.923 2.249 57 HB3 PRO 11 2HB PRO 11 3.719 7.395 1.446 58 HG2 PRO 11 1HG PRO 11 5.301 5.113 0.328 59 HG3 PRO 11 2HG PRO 11 3.938 5.989 -0.393 60 HD2 PRO 11 1HD PRO 11 6.512 6.480 -1.077 61 HD3 PRO 11 2HD PRO 11 5.266 7.745 -1.076 62 H SER 12 H SER 12 6.512 7.808 4.337 63 HA SER 12 HA SER 12 8.053 5.302 4.512 64 HB2 SER 12 1HB SER 12 8.503 7.804 6.150 65 HB3 SER 12 2HB SER 12 9.539 6.379 6.069 66 HG SER 12 HG SER 12 8.947 7.996 3.819 67 H ASN 13 H ASN 13 8.386 4.773 7.003 68 HA ASN 13 HA ASN 13 7.449 3.971 8.914 69 HB2 ASN 13 1HB ASN 13 5.566 6.296 8.466 70 HB3 ASN 13 2HB ASN 13 5.571 5.300 9.918 71 HD21 ASN 13 1HD2 ASN 13 7.083 7.847 8.205 72 HD22 ASN 13 2HD2 ASN 13 8.278 8.237 9.391 73 H LEU 14 H LEU 14 6.683 2.864 6.379 74 HA LEU 14 HA LEU 14 3.939 2.397 6.123 75 HB2 LEU 14 1HB LEU 14 6.413 1.048 5.201 76 HB3 LEU 14 2HB LEU 14 4.912 0.129 5.120 77 HG LEU 14 HG LEU 14 5.334 2.814 3.813 78 HD11 LEU 14 1HD1 LEU 14 5.547 1.607 1.726 79 HD12 LEU 14 2HD1 LEU 14 5.396 0.068 2.572 80 HD13 LEU 14 3HD1 LEU 14 6.803 1.093 2.852 81 HD21 LEU 14 3HD2 LEU 14 3.297 2.174 2.564 82 HD22 LEU 14 1HD2 LEU 14 3.014 2.370 4.294 83 HD23 LEU 14 2HD2 LEU 14 3.142 0.754 3.600 84 H ALA 15 H ALA 15 2.536 1.205 7.238 85 HA ALA 15 HA ALA 15 3.555 -0.928 8.986 86 HB1 ALA 15 3HB ALA 15 3.131 1.106 10.325 87 HB2 ALA 15 1HB ALA 15 1.447 1.066 9.803 88 HB3 ALA 15 2HB ALA 15 2.098 -0.248 10.783 89 H LEU 16 H LEU 16 2.711 -2.755 8.234 90 HA LEU 16 HA LEU 16 0.072 -2.734 6.983 91 HB2 LEU 16 1HB LEU 16 2.433 -4.524 6.923 92 HB3 LEU 16 2HB LEU 16 0.852 -5.270 6.698 93 HG LEU 16 HG LEU 16 0.465 -3.684 4.801 94 HD11 LEU 16 1HD1 LEU 16 3.418 -3.148 4.959 95 HD12 LEU 16 2HD1 LEU 16 2.211 -2.049 5.626 96 HD13 LEU 16 3HD1 LEU 16 2.223 -2.401 3.898 97 HD21 LEU 16 3HD2 LEU 16 2.799 -5.586 4.666 98 HD22 LEU 16 1HD2 LEU 16 2.023 -4.870 3.254 99 HD23 LEU 16 2HD2 LEU 16 1.105 -5.937 4.317 100 H ALA 17 H ALA 17 -1.629 -3.091 8.235 101 HA ALA 17 HA ALA 17 -1.336 -4.925 10.524 102 HB1 ALA 17 3HB ALA 17 -1.888 -2.910 11.502 103 HB2 ALA 17 1HB ALA 17 -2.932 -2.425 10.166 104 HB3 ALA 17 2HB ALA 17 -3.472 -3.659 11.305 105 H SER 18 H SER 18 -2.554 -6.711 10.579 106 HA SER 18 HA SER 18 -4.536 -7.076 8.445 107 HB2 SER 18 1HB SER 18 -2.638 -8.700 8.606 108 HB3 SER 18 2HB SER 18 -3.249 -9.191 10.186 109 HG SER 18 HG SER 18 -4.693 -9.338 7.745 110 H GLU 19 H GLU 19 -6.617 -6.991 8.940 111 HA GLU 19 HA GLU 19 -7.424 -7.549 11.719 112 HB2 GLU 19 1HB GLU 19 -9.102 -5.894 11.581 113 HB3 GLU 19 2HB GLU 19 -7.665 -5.157 10.886 114 HG2 GLU 19 1HG GLU 19 -8.556 -5.788 8.627 115 HG3 GLU 19 2HG GLU 19 -10.057 -6.247 9.430 116 H THR 20 H THR 20 -7.855 -8.290 8.396 117 HA THR 20 HA THR 20 -9.719 -10.409 9.091 118 HB THR 20 HB THR 20 -11.391 -8.881 8.544 119 HG1 THR 20 1HG THR 20 -12.232 -10.075 7.018 120 HG21 THR 20 3HG2 THR 20 -9.925 -7.939 6.094 121 HG22 THR 20 1HG2 THR 20 -9.684 -7.185 7.670 122 HG23 THR 20 2HG2 THR 20 -11.283 -7.179 6.924 123 HA PRO 21 HA PRO 21 -7.305 -12.584 6.120 124 HB2 PRO 21 1HB PRO 21 -9.019 -14.616 5.570 125 HB3 PRO 21 2HB PRO 21 -8.117 -14.504 7.086 126 HG2 PRO 21 1HG PRO 21 -10.956 -13.749 6.510 127 HG3 PRO 21 2HG PRO 21 -10.288 -14.605 7.912 128 HD2 PRO 21 1HD PRO 21 -10.908 -11.970 7.974 129 HD3 PRO 21 2HD PRO 21 -9.572 -12.659 8.918 130 H ASP 22 H ASP 22 -9.937 -10.756 5.362 131 HA ASP 22 HA ASP 22 -9.790 -11.472 2.507 132 HB2 ASP 22 1HB ASP 22 -12.110 -9.943 3.611 133 HB3 ASP 22 2HB ASP 22 -12.043 -11.031 2.228 134 H SER 23 H SER 23 -8.803 -9.256 4.715 135 HA SER 23 HA SER 23 -8.155 -7.322 2.690 136 HB2 SER 23 1HB SER 23 -9.653 -6.134 4.986 137 HB3 SER 23 2HB SER 23 -9.452 -5.528 3.342 138 HG SER 23 HG SER 23 -11.577 -6.549 4.120 139 H LEU 24 H LEU 24 -6.592 -5.794 3.382 140 HA LEU 24 HA LEU 24 -5.459 -6.275 6.052 141 HB2 LEU 24 1HB LEU 24 -4.200 -7.517 4.313 142 HB3 LEU 24 2HB LEU 24 -3.861 -5.984 3.513 143 HG LEU 24 HG LEU 24 -2.847 -5.414 5.911 144 HD11 LEU 24 1HD1 LEU 24 -2.366 -7.139 7.234 145 HD12 LEU 24 2HD1 LEU 24 -1.785 -8.117 5.887 146 HD13 LEU 24 3HD1 LEU 24 -3.507 -8.068 6.263 147 HD21 LEU 24 3HD2 LEU 24 -0.791 -5.575 4.917 148 HD22 LEU 24 1HD2 LEU 24 -1.832 -5.649 3.495 149 HD23 LEU 24 2HD2 LEU 24 -1.150 -7.131 4.167 150 H GLN 25 H GLN 25 -5.059 -4.475 7.165 151 HA GLN 25 HA GLN 25 -5.549 -1.912 5.937 152 HB2 GLN 25 1HB GLN 25 -6.118 -2.797 8.373 153 HB3 GLN 25 2HB GLN 25 -4.520 -2.152 8.725 154 HG2 GLN 25 1HG GLN 25 -5.690 -0.282 9.153 155 HG3 GLN 25 2HG GLN 25 -5.548 -0.064 7.409 156 HE21 GLN 25 1HE2 GLN 25 -7.365 -1.698 6.364 157 HE22 GLN 25 2HE2 GLN 25 -8.957 -1.296 6.901 158 H VAL 26 H VAL 26 -4.099 -0.222 5.705 159 HA VAL 26 HA VAL 26 -1.298 -0.658 6.377 160 HB VAL 26 HB VAL 26 -1.301 -1.608 4.196 161 HG11 VAL 26 1HG1 VAL 26 -2.240 -0.527 2.243 162 HG12 VAL 26 2HG1 VAL 26 -3.485 -0.716 3.480 163 HG13 VAL 26 3HG1 VAL 26 -2.734 0.859 3.216 164 HG21 VAL 26 3HG2 VAL 26 0.049 0.064 2.899 165 HG22 VAL 26 1HG2 VAL 26 -0.327 1.242 4.156 166 HG23 VAL 26 2HG2 VAL 26 0.595 -0.207 4.554 167 H SER 27 H SER 27 -0.298 1.182 6.946 168 HA SER 27 HA SER 27 -1.490 3.743 6.139 169 HB2 SER 27 1HB SER 27 -1.296 4.620 8.397 170 HB3 SER 27 2HB SER 27 -2.273 3.152 8.429 171 HG SER 27 HG SER 27 0.463 2.842 8.801 172 H TRP 28 H TRP 28 0.018 5.604 6.735 173 HA TRP 28 HA TRP 28 2.803 5.047 7.028 174 HB2 TRP 28 1HB TRP 28 3.453 5.978 4.780 175 HB3 TRP 28 2HB TRP 28 2.706 4.383 4.731 176 HD1 TRP 28 HD TRP 28 1.963 8.055 3.878 177 HE1 TRP 28 1HE TRP 28 0.007 8.121 2.206 178 HE3 TRP 28 3HE TRP 28 0.708 3.099 3.901 179 HZ2 TRP 28 2HZ TRP 28 -1.826 6.312 1.050 180 HZ3 TRP 28 3HZ TRP 28 -1.158 2.349 2.484 181 HH2 TRP 28 HH TRP 28 -2.398 3.923 1.090 182 H THR 29 H THR 29 4.097 7.151 6.475 183 HA THR 29 HA THR 29 2.600 9.360 7.690 184 HB THR 29 HB THR 29 5.571 8.873 7.438 185 HG1 THR 29 1HG THR 29 5.444 8.584 9.646 186 HG21 THR 29 3HG2 THR 29 5.069 11.268 7.193 187 HG22 THR 29 1HG2 THR 29 5.890 10.925 8.715 188 HG23 THR 29 2HG2 THR 29 4.151 11.223 8.698 189 HA PRO 30 HA PRO 30 2.533 11.200 3.611 190 HB2 PRO 30 1HB PRO 30 1.092 13.380 4.345 191 HB3 PRO 30 2HB PRO 30 0.362 11.794 4.072 192 HG2 PRO 30 1HG PRO 30 1.130 13.108 6.650 193 HG3 PRO 30 2HG PRO 30 -0.335 12.191 6.254 194 HD2 PRO 30 1HD PRO 30 1.731 11.111 7.630 195 HD3 PRO 30 2HD PRO 30 0.709 10.156 6.536 196 HA PRO 31 HA PRO 31 5.972 13.964 4.019 197 HB2 PRO 31 1HB PRO 31 5.945 14.941 1.487 198 HB3 PRO 31 2HB PRO 31 6.534 13.323 1.885 199 HG2 PRO 31 1HG PRO 31 3.873 14.156 0.795 200 HG3 PRO 31 2HG PRO 31 4.896 12.786 0.325 201 HD2 PRO 31 1HD PRO 31 2.748 12.509 1.950 202 HD3 PRO 31 2HD PRO 31 4.194 11.491 2.098 203 H LEU 32 H LEU 32 6.278 16.344 2.737 204 HA LEU 32 HA LEU 32 4.207 17.987 4.006 205 HB2 LEU 32 1HB LEU 32 5.778 19.666 4.262 206 HB3 LEU 32 2HB LEU 32 6.716 18.197 4.521 207 HG LEU 32 HG LEU 32 6.658 19.455 1.810 208 HD11 LEU 32 1HD1 LEU 32 8.863 20.272 3.565 209 HD12 LEU 32 2HD1 LEU 32 7.302 21.000 3.942 210 HD13 LEU 32 3HD1 LEU 32 7.993 21.181 2.329 211 HD21 LEU 32 3HD2 LEU 32 7.923 17.250 2.988 212 HD22 LEU 32 1HD2 LEU 32 9.180 18.467 2.766 213 HD23 LEU 32 2HD2 LEU 32 8.218 17.932 1.388 214 H GLY 33 H GLY 33 5.731 17.300 0.938 215 HA2 GLY 33 1HA GLY 33 4.687 19.534 -0.481 216 HA3 GLY 33 2HA GLY 33 5.314 18.055 -1.195 217 H ARG 34 H ARG 34 3.046 19.536 -2.105 218 HA ARG 34 HA ARG 34 0.620 18.357 -1.243 219 HB2 ARG 34 1HB ARG 34 0.608 20.484 -2.397 220 HB3 ARG 34 2HB ARG 34 1.340 19.757 -3.822 221 HG2 ARG 34 1HG ARG 34 -0.975 20.069 -4.265 222 HG3 ARG 34 2HG ARG 34 -0.698 18.339 -4.055 223 HD2 ARG 34 1HD ARG 34 -1.787 18.275 -2.026 224 HD3 ARG 34 2HD ARG 34 -1.497 19.983 -1.699 225 HE ARG 34 HE ARG 34 -3.728 18.847 -3.088 226 HH11 ARG 34 1HH1 ARG 34 -1.734 21.683 -2.767 227 HH12 ARG 34 2HH1 ARG 34 -2.958 22.768 -3.338 228 HH21 ARG 34 1HH2 ARG 34 -5.348 20.266 -3.840 229 HH22 ARG 34 2HH2 ARG 34 -5.014 21.961 -3.947 230 H VAL 35 H VAL 35 0.097 16.290 -1.455 231 HA VAL 35 HA VAL 35 1.092 14.803 -3.791 232 HB VAL 35 HB VAL 35 0.102 13.764 -1.132 233 HG11 VAL 35 1HG1 VAL 35 0.502 12.470 -3.714 234 HG12 VAL 35 2HG1 VAL 35 1.399 11.702 -2.402 235 HG13 VAL 35 3HG1 VAL 35 -0.350 11.899 -2.279 236 HG21 VAL 35 3HG2 VAL 35 2.209 13.829 -0.413 237 HG22 VAL 35 1HG2 VAL 35 2.800 13.059 -1.886 238 HG23 VAL 35 2HG2 VAL 35 2.588 14.809 -1.830 239 H LEU 36 H LEU 36 -0.400 14.930 -5.363 240 HA LEU 36 HA LEU 36 -3.114 15.332 -5.133 241 HB2 LEU 36 1HB LEU 36 -1.762 13.658 -7.242 242 HB3 LEU 36 2HB LEU 36 -3.323 14.463 -7.380 243 HG LEU 36 HG LEU 36 -0.685 15.894 -7.076 244 HD11 LEU 36 1HD1 LEU 36 -1.730 16.430 -9.583 245 HD12 LEU 36 2HD1 LEU 36 -1.949 14.692 -9.386 246 HD13 LEU 36 3HD1 LEU 36 -0.344 15.403 -9.217 247 HD21 LEU 36 3HD2 LEU 36 -2.640 17.130 -6.253 248 HD22 LEU 36 1HD2 LEU 36 -3.429 16.906 -7.815 249 HD23 LEU 36 2HD2 LEU 36 -1.955 17.868 -7.702 250 H HIS 37 H HIS 37 -1.594 12.166 -5.780 251 HA HIS 37 HA HIS 37 -3.534 10.889 -4.021 252 HB2 HIS 37 1HB HIS 37 -3.986 9.150 -5.823 253 HB3 HIS 37 2HB HIS 37 -4.744 10.724 -6.053 254 HD1 HIS 37 1HD HIS 37 -2.581 8.299 -7.697 255 HD2 HIS 37 2HD HIS 37 -3.343 12.370 -8.020 256 HE1 HIS 37 1HE HIS 37 -1.668 8.978 -9.940 257 HE2 HIS 37 2HE HIS 37 -2.064 11.462 -10.077 258 H TYR 38 H TYR 38 -2.927 8.778 -3.354 259 HA TYR 38 HA TYR 38 -0.047 8.298 -3.616 260 HB2 TYR 38 1HB TYR 38 -2.049 7.271 -1.594 261 HB3 TYR 38 2HB TYR 38 -0.339 6.853 -1.610 262 HD1 TYR 38 2HD TYR 38 1.332 8.834 -1.462 263 HD2 TYR 38 1HD TYR 38 -2.775 9.122 -0.388 264 HE1 TYR 38 2HE TYR 38 1.834 10.818 -0.099 265 HE2 TYR 38 1HE TYR 38 -2.285 11.109 0.977 266 HH TYR 38 HH TYR 38 0.817 12.003 1.872 267 H TRP 39 H TRP 39 0.114 7.167 -5.518 268 HA TRP 39 HA TRP 39 -1.587 5.127 -6.388 269 HB2 TRP 39 1HB TRP 39 0.157 6.327 -7.760 270 HB3 TRP 39 2HB TRP 39 1.371 5.317 -6.979 271 HD1 TRP 39 HD TRP 39 2.098 3.506 -8.623 272 HE1 TRP 39 1HE TRP 39 0.922 1.946 -10.299 273 HE3 TRP 39 3HE TRP 39 -2.694 5.206 -8.088 274 HZ2 TRP 39 2HZ TRP 39 -1.691 1.496 -11.266 275 HZ3 TRP 39 3HZ TRP 39 -4.473 4.157 -9.426 276 HH2 TRP 39 HH TRP 39 -3.980 2.342 -10.982 277 H LEU 40 H LEU 40 -2.075 3.410 -5.170 278 HA LEU 40 HA LEU 40 0.056 2.067 -3.671 279 HB2 LEU 40 1HB LEU 40 -2.309 2.796 -2.764 280 HB3 LEU 40 2HB LEU 40 -2.806 1.266 -3.482 281 HG LEU 40 HG LEU 40 -0.487 1.266 -1.613 282 HD11 LEU 40 1HD1 LEU 40 -1.785 2.413 -0.137 283 HD12 LEU 40 2HD1 LEU 40 -2.405 0.787 0.147 284 HD13 LEU 40 3HD1 LEU 40 -3.295 1.901 -0.890 285 HD21 LEU 40 3HD2 LEU 40 -0.798 -0.868 -2.290 286 HD22 LEU 40 1HD2 LEU 40 -2.501 -0.616 -2.674 287 HD23 LEU 40 2HD2 LEU 40 -2.002 -0.860 -1.000 288 H THR 41 H THR 41 0.482 -0.126 -3.901 289 HA THR 41 HA THR 41 -0.945 -1.673 -5.895 290 HB THR 41 HB THR 41 1.312 -2.280 -6.994 291 HG1 THR 41 1HG THR 41 2.070 0.345 -6.334 292 HG21 THR 41 3HG2 THR 41 0.832 -0.864 -8.734 293 HG22 THR 41 1HG2 THR 41 0.546 0.517 -7.676 294 HG23 THR 41 2HG2 THR 41 -0.675 -0.748 -7.826 295 H TYR 42 H TYR 42 -1.388 -3.369 -4.619 296 HA TYR 42 HA TYR 42 0.686 -4.446 -2.866 297 HB2 TYR 42 1HB TYR 42 -1.138 -5.847 -1.949 298 HB3 TYR 42 2HB TYR 42 -1.506 -4.128 -1.869 299 HD1 TYR 42 1HD TYR 42 -3.187 -3.147 -3.384 300 HD2 TYR 42 2HD TYR 42 -2.441 -7.335 -3.306 301 HE1 TYR 42 1HE TYR 42 -5.305 -3.540 -4.569 302 HE2 TYR 42 2HE TYR 42 -4.557 -7.740 -4.492 303 HH TYR 42 HH TYR 42 -6.886 -5.223 -5.005 304 H ALA 43 H ALA 43 0.848 -6.868 -2.743 305 HA ALA 43 HA ALA 43 0.127 -8.466 -4.976 306 HB1 ALA 43 3HB ALA 43 2.515 -6.913 -5.255 307 HB2 ALA 43 1HB ALA 43 2.923 -8.628 -5.215 308 HB3 ALA 43 2HB ALA 43 1.767 -8.023 -6.403 309 HA PRO 44 HA PRO 44 1.168 -11.776 -2.289 310 HB2 PRO 44 1HB PRO 44 2.315 -13.623 -3.915 311 HB3 PRO 44 2HB PRO 44 0.589 -13.245 -3.958 312 HG2 PRO 44 1HG PRO 44 2.784 -12.280 -5.750 313 HG3 PRO 44 2HG PRO 44 1.151 -12.825 -6.175 314 HD2 PRO 44 1HD PRO 44 1.819 -10.205 -6.018 315 HD3 PRO 44 2HD PRO 44 0.196 -10.802 -5.618 316 H ALA 45 H ALA 45 3.527 -9.842 -3.496 317 HA ALA 45 HA ALA 45 5.694 -9.434 -2.930 318 HB1 ALA 45 3HB ALA 45 5.866 -9.536 -0.722 319 HB2 ALA 45 1HB ALA 45 4.537 -10.694 -0.655 320 HB3 ALA 45 2HB ALA 45 6.196 -11.265 -0.833 321 H SER 46 H SER 46 5.161 -11.343 -4.954 322 HA SER 46 HA SER 46 7.712 -12.511 -5.247 323 HB2 SER 46 1HB SER 46 6.493 -14.053 -3.539 324 HB3 SER 46 2HB SER 46 5.593 -14.621 -4.945 325 HG SER 46 HG SER 46 7.708 -15.686 -4.272 326 H GLY 47 H GLY 47 8.063 -13.285 -7.329 327 HA2 GLY 47 1HA GLY 47 6.171 -12.385 -9.290 328 HA3 GLY 47 2HA GLY 47 7.719 -13.152 -9.610 329 H LEU 48 H LEU 48 4.405 -13.848 -8.551 330 HA LEU 48 HA LEU 48 4.560 -16.376 -10.038 331 HB2 LEU 48 1HB LEU 48 3.358 -16.011 -7.298 332 HB3 LEU 48 2HB LEU 48 3.235 -17.473 -8.274 333 HG LEU 48 HG LEU 48 5.893 -16.373 -7.409 334 HD11 LEU 48 1HD1 LEU 48 4.997 -18.620 -5.847 335 HD12 LEU 48 2HD1 LEU 48 3.911 -17.244 -5.653 336 HD13 LEU 48 3HD1 LEU 48 5.633 -17.063 -5.316 337 HD21 LEU 48 3HD2 LEU 48 6.005 -19.110 -7.511 338 HD22 LEU 48 1HD2 LEU 48 6.523 -18.013 -8.790 339 HD23 LEU 48 2HD2 LEU 48 4.908 -18.719 -8.836 340 H GLY 49 H GLY 49 2.334 -14.176 -8.326 341 HA2 GLY 49 1HA GLY 49 0.311 -14.767 -10.389 342 HA3 GLY 49 2HA GLY 49 -0.043 -14.173 -8.774 343 HA PRO 50 HA PRO 50 0.083 -10.668 -11.927 344 HB2 PRO 50 1HB PRO 50 -2.527 -9.953 -11.713 345 HB3 PRO 50 2HB PRO 50 -1.953 -11.154 -12.875 346 HG2 PRO 50 1HG PRO 50 -3.244 -11.568 -10.207 347 HG3 PRO 50 2HG PRO 50 -3.536 -12.419 -11.735 348 HD2 PRO 50 1HD PRO 50 -2.000 -13.455 -9.760 349 HD3 PRO 50 2HD PRO 50 -1.688 -13.772 -11.479 350 H GLU 51 H GLU 51 -0.202 -8.405 -11.453 351 HA GLU 51 HA GLU 51 -0.185 -7.872 -8.565 352 HB2 GLU 51 1HB GLU 51 1.774 -7.253 -10.152 353 HB3 GLU 51 2HB GLU 51 0.736 -5.929 -10.662 354 HG2 GLU 51 1HG GLU 51 0.897 -4.842 -8.660 355 HG3 GLU 51 2HG GLU 51 1.201 -6.323 -7.754 356 H LYS 52 H LYS 52 -1.268 -6.016 -7.737 357 HA LYS 52 HA LYS 52 -3.524 -5.128 -9.414 358 HB2 LYS 52 1HB LYS 52 -3.431 -5.579 -6.426 359 HB3 LYS 52 2HB LYS 52 -4.787 -4.854 -7.279 360 HG2 LYS 52 1HG LYS 52 -3.741 -7.608 -7.881 361 HG3 LYS 52 2HG LYS 52 -5.032 -7.284 -6.722 362 HD2 LYS 52 1HD LYS 52 -6.523 -6.647 -8.359 363 HD3 LYS 52 2HD LYS 52 -5.248 -6.179 -9.485 364 HE2 LYS 52 1HE LYS 52 -4.669 -8.594 -9.718 365 HE3 LYS 52 2HE LYS 52 -6.081 -8.977 -8.734 366 HZ1 LYS 52 3HZ LYS 52 -7.112 -7.365 -10.631 367 HZ2 LYS 52 1HZ LYS 52 -7.137 -9.056 -10.684 368 HZ3 LYS 52 2HZ LYS 52 -5.929 -8.202 -11.504 369 H SER 53 H SER 53 -4.538 -3.061 -8.204 370 HA SER 53 HA SER 53 -2.690 -1.251 -7.026 371 HB2 SER 53 1HB SER 53 -2.430 0.326 -8.852 372 HB3 SER 53 2HB SER 53 -1.844 -1.254 -9.372 373 HG SER 53 HG SER 53 -4.436 -0.235 -9.918 374 H VAL 54 H VAL 54 -3.764 0.341 -6.003 375 HA VAL 54 HA VAL 54 -6.530 0.911 -6.824 376 HB VAL 54 HB VAL 54 -7.224 1.011 -4.472 377 HG11 VAL 54 1HG1 VAL 54 -6.973 -1.202 -6.004 378 HG12 VAL 54 2HG1 VAL 54 -6.072 -1.694 -4.569 379 HG13 VAL 54 3HG1 VAL 54 -7.752 -1.177 -4.422 380 HG21 VAL 54 3HG2 VAL 54 -5.159 1.542 -3.383 381 HG22 VAL 54 1HG2 VAL 54 -5.727 -0.002 -2.749 382 HG23 VAL 54 2HG2 VAL 54 -4.421 0.038 -3.934 383 H SER 55 H SER 55 -7.064 3.015 -6.855 384 HA SER 55 HA SER 55 -5.007 4.966 -6.379 385 HB2 SER 55 1HB SER 55 -6.582 5.147 -8.287 386 HB3 SER 55 2HB SER 55 -7.907 5.385 -7.148 387 HG SER 55 HG SER 55 -7.077 7.329 -6.575 388 H VAL 56 H VAL 56 -4.783 6.328 -4.701 389 HA VAL 56 HA VAL 56 -6.895 6.344 -2.645 390 HB VAL 56 HB VAL 56 -3.911 6.252 -2.187 391 HG11 VAL 56 1HG1 VAL 56 -5.393 5.960 0.216 392 HG12 VAL 56 2HG1 VAL 56 -4.238 7.222 -0.218 393 HG13 VAL 56 3HG1 VAL 56 -5.950 7.423 -0.596 394 HG21 VAL 56 3HG2 VAL 56 -4.207 4.106 -1.320 395 HG22 VAL 56 1HG2 VAL 56 -5.949 4.315 -1.146 396 HG23 VAL 56 2HG2 VAL 56 -5.241 4.121 -2.749 397 HA PRO 57 HA PRO 57 -6.667 10.728 -3.319 398 HB2 PRO 57 1HB PRO 57 -8.377 11.430 -1.331 399 HB3 PRO 57 2HB PRO 57 -8.920 10.750 -2.870 400 HG2 PRO 57 1HG PRO 57 -8.540 9.393 -0.229 401 HG3 PRO 57 2HG PRO 57 -9.865 9.220 -1.396 402 HD2 PRO 57 1HD PRO 57 -7.849 7.423 -1.203 403 HD3 PRO 57 2HD PRO 57 -8.661 7.785 -2.739 404 H GLY 58 H GLY 58 -5.058 12.008 -2.674 405 HA2 GLY 58 1HA GLY 58 -3.286 11.654 -0.666 406 HA3 GLY 58 2HA GLY 58 -3.731 13.253 -1.243 407 H ALA 59 H ALA 59 -6.438 13.206 -0.336 408 HA ALA 59 HA ALA 59 -6.406 14.448 2.029 409 HB1 ALA 59 3HB ALA 59 -8.600 14.386 1.720 410 HB2 ALA 59 1HB ALA 59 -8.389 13.128 0.502 411 HB3 ALA 59 2HB ALA 59 -8.635 12.687 2.192 412 H ARG 60 H ARG 60 -6.523 10.913 1.683 413 HA ARG 60 HA ARG 60 -5.926 10.670 4.552 414 HB2 ARG 60 1HB ARG 60 -6.791 8.428 4.442 415 HB3 ARG 60 2HB ARG 60 -7.961 9.512 3.702 416 HG2 ARG 60 1HG ARG 60 -6.946 8.868 1.475 417 HG3 ARG 60 2HG ARG 60 -6.097 7.590 2.347 418 HD2 ARG 60 1HD ARG 60 -9.085 7.978 2.215 419 HD3 ARG 60 2HD ARG 60 -8.158 6.752 1.350 420 HE ARG 60 HE ARG 60 -7.730 6.601 4.159 421 HH11 ARG 60 1HH1 ARG 60 -9.989 5.790 1.638 422 HH12 ARG 60 2HH1 ARG 60 -10.675 4.454 2.502 423 HH21 ARG 60 1HH2 ARG 60 -8.624 4.844 5.307 424 HH22 ARG 60 2HH2 ARG 60 -9.898 3.917 4.590 425 H SER 61 H SER 61 -4.297 9.216 5.249 426 HA SER 61 HA SER 61 -2.200 8.783 3.230 427 HB2 SER 61 1HB SER 61 -1.696 10.301 5.186 428 HB3 SER 61 2HB SER 61 -1.838 8.887 6.231 429 HG SER 61 HG SER 61 0.023 8.160 5.521 430 H HIS 62 H HIS 62 -4.571 7.055 4.184 431 HA HIS 62 HA HIS 62 -3.080 4.570 4.167 432 HB2 HIS 62 1HB HIS 62 -4.135 3.659 6.162 433 HB3 HIS 62 2HB HIS 62 -3.248 5.124 6.573 434 HD1 HIS 62 1HD HIS 62 -6.596 3.613 6.676 435 HD2 HIS 62 2HD HIS 62 -4.938 7.400 7.091 436 HE1 HIS 62 1HE HIS 62 -8.388 5.019 7.742 437 HE2 HIS 62 2HE HIS 62 -7.392 7.326 7.905 438 H VAL 63 H VAL 63 -4.531 2.674 3.931 439 HA VAL 63 HA VAL 63 -7.279 3.059 3.263 440 HB VAL 63 HB VAL 63 -5.888 3.939 1.238 441 HG11 VAL 63 1HG1 VAL 63 -5.262 2.254 -0.375 442 HG12 VAL 63 2HG1 VAL 63 -4.411 1.959 1.143 443 HG13 VAL 63 3HG1 VAL 63 -5.807 0.972 0.706 444 HG21 VAL 63 3HG2 VAL 63 -7.709 2.221 -0.068 445 HG22 VAL 63 1HG2 VAL 63 -8.404 2.621 1.503 446 HG23 VAL 63 2HG2 VAL 63 -7.941 3.908 0.391 447 H THR 64 H THR 64 -8.324 1.066 2.587 448 HA THR 64 HA THR 64 -6.870 -1.280 3.587 449 HB THR 64 HB THR 64 -9.839 -1.143 3.097 450 HG1 THR 64 1HG THR 64 -9.747 0.353 4.627 451 HG21 THR 64 3HG2 THR 64 -8.522 -3.327 3.512 452 HG22 THR 64 1HG2 THR 64 -9.982 -3.034 4.457 453 HG23 THR 64 2HG2 THR 64 -8.395 -2.755 5.175 454 H LEU 65 H LEU 65 -6.768 -3.193 2.430 455 HA LEU 65 HA LEU 65 -7.539 -2.992 -0.407 456 HB2 LEU 65 1HB LEU 65 -5.300 -4.654 0.726 457 HB3 LEU 65 2HB LEU 65 -5.654 -4.349 -0.973 458 HG LEU 65 HG LEU 65 -4.929 -2.087 0.850 459 HD11 LEU 65 1HD1 LEU 65 -3.268 -4.295 0.446 460 HD12 LEU 65 2HD1 LEU 65 -2.811 -2.708 1.065 461 HD13 LEU 65 3HD1 LEU 65 -2.681 -3.052 -0.660 462 HD21 LEU 65 3HD2 LEU 65 -5.317 -2.536 -2.003 463 HD22 LEU 65 1HD2 LEU 65 -3.803 -1.714 -1.626 464 HD23 LEU 65 2HD2 LEU 65 -5.335 -1.034 -1.077 465 HA PRO 66 HA PRO 66 -10.140 -6.400 1.124 466 HB2 PRO 66 1HB PRO 66 -11.999 -6.129 -0.836 467 HB3 PRO 66 2HB PRO 66 -11.988 -5.131 0.623 468 HG2 PRO 66 1HG PRO 66 -10.969 -4.490 -2.118 469 HG3 PRO 66 2HG PRO 66 -11.900 -3.472 -1.004 470 HD2 PRO 66 1HD PRO 66 -9.220 -3.230 -1.306 471 HD3 PRO 66 2HD PRO 66 -10.040 -2.911 0.236 472 H ASP 67 H ASP 67 -11.196 -8.235 -0.238 473 HA ASP 67 HA ASP 67 -10.869 -10.083 -1.524 474 HB2 ASP 67 1HB ASP 67 -11.183 -8.263 -3.298 475 HB3 ASP 67 2HB ASP 67 -9.432 -8.305 -3.489 476 H LEU 68 H LEU 68 -9.116 -10.015 0.464 477 HA LEU 68 HA LEU 68 -6.485 -10.576 -0.725 478 HB2 LEU 68 1HB LEU 68 -7.359 -9.675 1.987 479 HB3 LEU 68 2HB LEU 68 -5.825 -10.521 1.794 480 HG LEU 68 HG LEU 68 -6.583 -7.927 0.452 481 HD11 LEU 68 1HD1 LEU 68 -4.352 -8.092 2.376 482 HD12 LEU 68 2HD1 LEU 68 -5.978 -8.196 3.051 483 HD13 LEU 68 3HD1 LEU 68 -5.513 -6.796 2.085 484 HD21 LEU 68 3HD2 LEU 68 -4.623 -9.867 -0.211 485 HD22 LEU 68 1HD2 LEU 68 -3.793 -8.458 0.449 486 HD23 LEU 68 2HD2 LEU 68 -4.882 -8.275 -0.927 487 H GLN 69 H GLN 69 -5.254 -12.247 0.782 488 HA GLN 69 HA GLN 69 -6.987 -14.617 0.901 489 HB2 GLN 69 1HB GLN 69 -4.049 -14.250 0.397 490 HB3 GLN 69 2HB GLN 69 -4.683 -15.806 0.920 491 HG2 GLN 69 1HG GLN 69 -5.922 -14.441 -1.419 492 HG3 GLN 69 2HG GLN 69 -4.378 -15.267 -1.615 493 HE21 GLN 69 1HE2 GLN 69 -4.444 -17.346 -2.081 494 HE22 GLN 69 2HE2 GLN 69 -5.796 -18.396 -1.850 495 H ALA 70 H ALA 70 -5.732 -16.324 2.472 496 HA ALA 70 HA ALA 70 -5.685 -14.973 5.086 497 HB1 ALA 70 3HB ALA 70 -5.939 -17.872 5.149 498 HB2 ALA 70 1HB ALA 70 -6.926 -16.630 5.919 499 HB3 ALA 70 2HB ALA 70 -7.230 -17.085 4.242 500 H ALA 71 H ALA 71 -4.053 -15.373 6.552 501 HA ALA 71 HA ALA 71 -1.841 -15.612 7.104 502 HB1 ALA 71 3HB ALA 71 -2.570 -17.735 7.822 503 HB2 ALA 71 1HB ALA 71 -2.646 -18.354 6.172 504 HB3 ALA 71 2HB ALA 71 -1.083 -18.025 6.920 505 H THR 72 H THR 72 -1.894 -14.280 4.778 506 HA THR 72 HA THR 72 0.527 -15.216 3.477 507 HB THR 72 HB THR 72 -2.005 -14.717 1.900 508 HG1 THR 72 1HG THR 72 -2.172 -16.808 2.163 509 HG21 THR 72 3HG2 THR 72 0.223 -13.852 0.946 510 HG22 THR 72 1HG2 THR 72 -0.764 -14.895 -0.077 511 HG23 THR 72 2HG2 THR 72 0.643 -15.554 0.758 512 H LYS 73 H LYS 73 1.736 -13.465 3.893 513 HA LYS 73 HA LYS 73 0.930 -10.853 4.226 514 HB2 LYS 73 1HB LYS 73 3.308 -10.267 3.517 515 HB3 LYS 73 2HB LYS 73 3.138 -11.393 4.857 516 HG2 LYS 73 1HG LYS 73 4.818 -12.324 3.553 517 HG3 LYS 73 2HG LYS 73 3.377 -13.233 3.089 518 HD2 LYS 73 1HD LYS 73 3.113 -11.712 1.143 519 HD3 LYS 73 2HD LYS 73 4.639 -10.942 1.583 520 HE2 LYS 73 1HE LYS 73 4.901 -12.635 -0.192 521 HE3 LYS 73 2HE LYS 73 5.825 -13.021 1.259 522 HZ1 LYS 73 3HZ LYS 73 4.255 -14.764 0.019 523 HZ2 LYS 73 1HZ LYS 73 3.144 -14.130 1.127 524 HZ3 LYS 73 2HZ LYS 73 4.581 -14.832 1.678 525 H TYR 74 H TYR 74 1.755 -9.004 2.712 526 HA TYR 74 HA TYR 74 1.401 -9.544 -0.109 527 HB2 TYR 74 1HB TYR 74 -0.655 -8.124 1.544 528 HB3 TYR 74 2HB TYR 74 -0.400 -7.639 -0.129 529 HD1 TYR 74 2HD TYR 74 -1.548 -10.342 2.077 530 HD2 TYR 74 1HD TYR 74 -1.072 -9.065 -1.954 531 HE1 TYR 74 2HE TYR 74 -3.012 -12.172 1.330 532 HE2 TYR 74 1HE TYR 74 -2.535 -10.891 -2.711 533 HH TYR 74 HH TYR 74 -4.599 -12.405 -1.044 534 H ARG 75 H ARG 75 3.026 -8.462 -0.988 535 HA ARG 75 HA ARG 75 4.394 -6.337 0.251 536 HB2 ARG 75 1HB ARG 75 5.073 -7.987 -1.701 537 HB3 ARG 75 2HB ARG 75 4.487 -6.674 -2.714 538 HG2 ARG 75 1HG ARG 75 6.057 -5.144 -1.579 539 HG3 ARG 75 2HG ARG 75 6.684 -6.516 -0.663 540 HD2 ARG 75 1HD ARG 75 6.620 -6.492 -3.666 541 HD3 ARG 75 2HD ARG 75 7.968 -5.813 -2.754 542 HE ARG 75 HE ARG 75 7.351 -8.479 -1.942 543 HH11 ARG 75 1HH1 ARG 75 8.990 -6.587 -4.362 544 HH12 ARG 75 2HH1 ARG 75 10.118 -7.839 -4.764 545 HH21 ARG 75 1HH2 ARG 75 8.831 -10.135 -2.462 546 HH22 ARG 75 2HH2 ARG 75 10.026 -9.857 -3.683 547 H VAL 76 H VAL 76 3.306 -4.515 0.731 548 HA VAL 76 HA VAL 76 1.514 -3.323 -1.237 549 HB VAL 76 HB VAL 76 2.121 -2.597 1.628 550 HG11 VAL 76 1HG1 VAL 76 -0.193 -1.269 0.632 551 HG12 VAL 76 2HG1 VAL 76 1.285 -0.568 1.296 552 HG13 VAL 76 3HG1 VAL 76 1.167 -0.907 -0.431 553 HG21 VAL 76 3HG2 VAL 76 0.096 -4.222 0.270 554 HG22 VAL 76 1HG2 VAL 76 0.641 -4.254 1.947 555 HG23 VAL 76 2HG2 VAL 76 -0.557 -3.067 1.431 556 H LEU 77 H LEU 77 2.550 -2.212 -2.782 557 HA LEU 77 HA LEU 77 4.851 -0.552 -2.063 558 HB2 LEU 77 1HB LEU 77 3.821 -1.750 -4.578 559 HB3 LEU 77 2HB LEU 77 4.741 -0.252 -4.696 560 HG LEU 77 HG LEU 77 6.455 -1.639 -3.210 561 HD11 LEU 77 1HD1 LEU 77 6.275 -3.870 -3.244 562 HD12 LEU 77 2HD1 LEU 77 5.703 -3.899 -4.911 563 HD13 LEU 77 3HD1 LEU 77 4.573 -3.568 -3.598 564 HD21 LEU 77 3HD2 LEU 77 7.702 -2.042 -5.181 565 HD22 LEU 77 1HD2 LEU 77 6.746 -0.592 -5.488 566 HD23 LEU 77 2HD2 LEU 77 6.244 -2.139 -6.170 567 H VAL 78 H VAL 78 4.332 1.428 -1.398 568 HA VAL 78 HA VAL 78 2.099 2.826 -2.707 569 HB VAL 78 HB VAL 78 3.431 3.786 -0.195 570 HG11 VAL 78 1HG1 VAL 78 1.824 5.218 -1.465 571 HG12 VAL 78 2HG1 VAL 78 0.576 4.016 -1.131 572 HG13 VAL 78 3HG1 VAL 78 1.345 4.883 0.199 573 HG21 VAL 78 3HG2 VAL 78 2.908 1.711 0.621 574 HG22 VAL 78 1HG2 VAL 78 1.370 2.536 0.877 575 HG23 VAL 78 2HG2 VAL 78 1.581 1.476 -0.516 576 H SER 79 H SER 79 2.395 4.739 -3.739 577 HA SER 79 HA SER 79 5.069 5.953 -3.675 578 HB2 SER 79 1HB SER 79 3.560 5.729 -6.266 579 HB3 SER 79 2HB SER 79 5.279 6.026 -6.007 580 HG SER 79 HG SER 79 5.620 3.936 -5.742 581 H ALA 80 H ALA 80 5.032 8.094 -3.428 582 HA ALA 80 HA ALA 80 2.499 9.456 -3.251 583 HB1 ALA 80 3HB ALA 80 5.126 9.833 -2.214 584 HB2 ALA 80 1HB ALA 80 4.624 11.306 -3.044 585 HB3 ALA 80 2HB ALA 80 3.626 10.638 -1.752 586 H ILE 81 H ILE 81 1.519 10.449 -4.876 587 HA ILE 81 HA ILE 81 2.984 10.990 -7.334 588 HB ILE 81 HB ILE 81 0.038 11.381 -6.811 589 HG12 ILE 81 1HG1 ILE 81 0.857 9.024 -6.425 590 HG13 ILE 81 2HG1 ILE 81 -0.354 9.193 -7.692 591 HG21 ILE 81 1HG2 ILE 81 0.205 10.866 -9.420 592 HG22 ILE 81 2HG2 ILE 81 0.349 12.496 -8.763 593 HG23 ILE 81 3HG2 ILE 81 1.799 11.583 -9.183 594 HD11 ILE 81 3HD1 ILE 81 2.519 8.488 -7.889 595 HD12 ILE 81 1HD1 ILE 81 1.123 7.811 -8.727 596 HD13 ILE 81 2HD1 ILE 81 1.779 9.370 -9.225 597 H TYR 82 H TYR 82 3.140 13.007 -8.306 598 HA TYR 82 HA TYR 82 2.216 15.329 -6.779 599 HB2 TYR 82 1HB TYR 82 5.052 15.038 -7.788 600 HB3 TYR 82 2HB TYR 82 4.385 16.420 -6.927 601 HD1 TYR 82 1HD TYR 82 3.804 16.214 -4.523 602 HD2 TYR 82 2HD TYR 82 5.792 13.092 -6.622 603 HE1 TYR 82 1HE TYR 82 4.470 15.206 -2.381 604 HE2 TYR 82 2HE TYR 82 6.462 12.074 -4.485 605 HH TYR 82 HH TYR 82 5.105 12.667 -1.660 606 H ALA 83 H ALA 83 2.438 17.370 -8.043 607 HA ALA 83 HA ALA 83 1.120 17.290 -10.440 608 HB1 ALA 83 3HB ALA 83 2.706 19.295 -9.008 609 HB2 ALA 83 1HB ALA 83 2.589 19.559 -10.748 610 HB3 ALA 83 2HB ALA 83 1.124 19.431 -9.774 611 H ALA 84 H ALA 84 4.645 17.542 -9.994 612 HA ALA 84 HA ALA 84 5.208 17.401 -12.789 613 HB1 ALA 84 3HB ALA 84 7.548 17.183 -12.092 614 HB2 ALA 84 1HB ALA 84 6.736 18.506 -11.254 615 HB3 ALA 84 2HB ALA 84 7.026 16.979 -10.420 616 H GLY 85 H GLY 85 5.656 15.079 -10.113 617 HA2 GLY 85 1HA GLY 85 4.954 12.872 -11.817 618 HA3 GLY 85 2HA GLY 85 6.671 12.929 -11.448 619 H ARG 86 H ARG 86 6.304 10.843 -10.433 620 HA ARG 86 HA ARG 86 5.205 11.136 -7.714 621 HB2 ARG 86 1HB ARG 86 4.672 8.697 -7.819 622 HB3 ARG 86 2HB ARG 86 3.739 9.682 -8.939 623 HG2 ARG 86 1HG ARG 86 4.854 8.864 -10.793 624 HG3 ARG 86 2HG ARG 86 6.250 8.342 -9.848 625 HD2 ARG 86 1HD ARG 86 4.464 6.772 -8.713 626 HD3 ARG 86 2HD ARG 86 3.607 7.024 -10.233 627 HE ARG 86 HE ARG 86 6.371 6.225 -10.507 628 HH11 ARG 86 1HH1 ARG 86 3.056 5.188 -10.271 629 HH12 ARG 86 2HH1 ARG 86 3.344 3.658 -11.032 630 HH21 ARG 86 1HH2 ARG 86 6.762 4.215 -11.511 631 HH22 ARG 86 2HH2 ARG 86 5.453 3.106 -11.736 632 H SER 87 H SER 87 6.372 10.277 -6.028 633 HA SER 87 HA SER 87 9.178 10.005 -6.429 634 HB2 SER 87 1HB SER 87 9.298 9.657 -4.021 635 HB3 SER 87 2HB SER 87 8.182 10.977 -4.372 636 HG SER 87 HG SER 87 7.095 8.424 -4.217 637 H GLU 88 H GLU 88 10.321 8.097 -5.235 638 HA GLU 88 HA GLU 88 9.990 5.796 -6.741 639 HB2 GLU 88 1HB GLU 88 11.571 4.757 -5.308 640 HB3 GLU 88 2HB GLU 88 12.003 6.460 -5.362 641 HG2 GLU 88 1HG GLU 88 11.173 6.850 -3.201 642 HG3 GLU 88 2HG GLU 88 10.310 5.313 -3.169 643 H ALA 89 H ALA 89 9.789 3.558 -5.403 644 HA ALA 89 HA ALA 89 7.174 3.673 -4.044 645 HB1 ALA 89 3HB ALA 89 7.309 2.647 -6.405 646 HB2 ALA 89 1HB ALA 89 8.086 1.283 -5.601 647 HB3 ALA 89 2HB ALA 89 6.450 1.760 -5.146 648 H VAL 90 H VAL 90 7.040 2.767 -2.086 649 HA VAL 90 HA VAL 90 9.379 1.286 -1.099 650 HB VAL 90 HB VAL 90 8.367 1.789 1.182 651 HG11 VAL 90 1HG1 VAL 90 10.287 3.001 0.020 652 HG12 VAL 90 2HG1 VAL 90 9.113 4.268 -0.341 653 HG13 VAL 90 3HG1 VAL 90 9.475 3.852 1.334 654 HG21 VAL 90 3HG2 VAL 90 6.900 4.016 -0.162 655 HG22 VAL 90 1HG2 VAL 90 6.135 2.434 -0.010 656 HG23 VAL 90 2HG2 VAL 90 6.650 3.307 1.434 657 H SER 91 H SER 91 9.210 -0.815 -0.688 658 HA SER 91 HA SER 91 6.598 -2.087 -0.866 659 HB2 SER 91 1HB SER 91 7.734 -4.102 -1.266 660 HB3 SER 91 2HB SER 91 8.760 -2.895 -2.042 661 HG SER 91 HG SER 91 9.139 -4.027 0.535 662 H ALA 92 H ALA 92 5.972 -3.754 0.683 663 HA ALA 92 HA ALA 92 7.207 -3.962 3.231 664 HB1 ALA 92 3HB ALA 92 6.237 -1.653 3.353 665 HB2 ALA 92 1HB ALA 92 4.639 -2.389 3.231 666 HB3 ALA 92 2HB ALA 92 5.680 -2.761 4.606 667 H THR 93 H THR 93 6.824 -6.039 3.608 668 HA THR 93 HA THR 93 4.353 -7.276 2.698 669 HB THR 93 HB THR 93 5.390 -9.401 3.390 670 HG1 THR 93 1HG THR 93 6.779 -9.091 4.990 671 HG21 THR 93 3HG2 THR 93 5.886 -8.911 1.172 672 HG22 THR 93 1HG2 THR 93 7.484 -9.167 1.873 673 HG23 THR 93 2HG2 THR 93 6.893 -7.528 1.598 674 H GLY 94 H GLY 94 2.750 -8.041 3.989 675 HA2 GLY 94 1HA GLY 94 3.143 -8.000 6.896 676 HA3 GLY 94 2HA GLY 94 1.846 -7.026 6.219 677 H GLN 95 H GLN 95 2.796 -10.121 7.272 678 HA GLN 95 HA GLN 95 1.132 -11.851 5.917 679 HB2 GLN 95 1HB GLN 95 2.749 -12.665 7.513 680 HB3 GLN 95 2HB GLN 95 1.915 -11.857 8.834 681 HG2 GLN 95 1HG GLN 95 -0.093 -13.352 8.089 682 HG3 GLN 95 2HG GLN 95 1.176 -14.334 7.357 683 HE21 GLN 95 1HE2 GLN 95 0.036 -15.773 9.042 684 HE22 GLN 95 2HE2 GLN 95 0.792 -15.835 10.593 685 H THR 96 H THR 96 -0.997 -12.191 5.809 686 HA THR 96 HA THR 96 -2.790 -10.362 7.098 687 HB THR 96 HB THR 96 -4.555 -11.902 5.997 688 HG1 THR 96 1HG THR 96 -3.718 -13.245 4.377 689 HG21 THR 96 3HG2 THR 96 -3.449 -11.021 3.644 690 HG22 THR 96 1HG2 THR 96 -2.701 -9.960 4.838 691 HG23 THR 96 2HG2 THR 96 -4.458 -10.056 4.722 692 H ALA 97 H ALA 97 -4.992 -11.622 7.822 693 HA ALA 97 HA ALA 97 -4.235 -12.918 10.287 694 HB1 ALA 97 3HB ALA 97 -6.992 -12.340 9.210 695 HB2 ALA 97 1HB ALA 97 -6.578 -12.782 10.866 696 HB3 ALA 97 2HB ALA 97 -6.039 -11.238 10.203 697 H CYS 98 H CYS 98 -4.422 -15.029 10.803 698 HA CYS 98 HA CYS 98 -4.940 -16.893 8.646 699 HB2 CYS 98 1HB CYS 98 -4.018 -18.573 10.083 700 HB3 CYS 98 2HB CYS 98 -3.009 -17.140 10.236 701 HG CYS 98 HG CYS 98 -5.295 -18.293 12.501 702 HA PRO 99 HA PRO 99 -9.060 -17.944 9.744 703 HB2 PRO 99 1HB PRO 99 -9.138 -20.531 8.924 704 HB3 PRO 99 2HB PRO 99 -9.123 -19.167 7.800 705 HG2 PRO 99 1HG PRO 99 -6.864 -20.924 8.677 706 HG3 PRO 99 2HG PRO 99 -7.253 -20.329 7.053 707 HD2 PRO 99 1HD PRO 99 -5.333 -19.203 8.595 708 HD3 PRO 99 2HD PRO 99 -6.307 -18.264 7.445 709 H SER 100 H SER 100 -9.228 -17.912 11.958 710 HA SER 100 HA SER 100 -8.253 -20.216 13.476 711 HB2 SER 100 1HB SER 100 -7.658 -18.111 14.456 712 HB3 SER 100 2HB SER 100 -9.314 -17.517 14.331 713 HG SER 100 HG SER 100 -8.361 -18.537 16.424 714 H GLY 101 H GLY 101 -11.245 -18.372 12.939 715 HA2 GLY 101 1HA GLY 101 -13.126 -20.118 12.519 716 HA3 GLY 101 2HA GLY 101 -12.769 -20.553 14.184 717 HA PRO 102 HA PRO 102 -15.853 -16.929 13.779 718 HB2 PRO 102 1HB PRO 102 -18.163 -18.289 14.210 719 HB3 PRO 102 2HB PRO 102 -17.501 -18.007 12.596 720 HG2 PRO 102 1HG PRO 102 -17.321 -20.450 14.317 721 HG3 PRO 102 2HG PRO 102 -17.641 -20.328 12.577 722 HD2 PRO 102 1HD PRO 102 -15.205 -20.971 13.568 723 HD3 PRO 102 2HD PRO 102 -15.412 -20.062 12.057 724 H SER 103 H SER 103 -14.686 -19.137 15.929 725 HA SER 103 HA SER 103 -16.165 -19.259 18.166 726 HB2 SER 103 1HB SER 103 -13.789 -20.039 17.921 727 HB3 SER 103 2HB SER 103 -13.270 -18.381 18.224 728 HG SER 103 HG SER 103 -14.974 -19.744 20.015 729 H SER 104 H SER 104 -17.426 -17.811 19.113 730 HA SER 104 HA SER 104 -16.622 -14.993 19.132 731 HB2 SER 104 1HB SER 104 -18.906 -15.693 18.285 732 HB3 SER 104 2HB SER 104 -19.300 -16.135 19.946 733 HG SER 104 HG SER 104 -18.246 -13.594 19.513 734 H GLY 105 H GLY 105 -15.424 -14.469 20.848 735 HA2 GLY 105 1HA GLY 105 -15.738 -15.833 23.380 736 HA3 GLY 105 2HA GLY 105 -14.577 -14.567 23.011 Start of MODEL 6 1 H1 GLY 1 H GLY 1 12.137 28.577 -16.355 2 HA2 GLY 1 1HA GLY 1 14.055 26.816 -17.723 3 HA3 GLY 1 2HA GLY 1 14.643 27.965 -16.530 4 H SER 2 H SER 2 12.667 27.782 -14.601 5 HA SER 2 HA SER 2 12.115 25.077 -13.890 6 HB2 SER 2 1HB SER 2 14.515 25.062 -13.406 7 HB3 SER 2 2HB SER 2 14.333 26.489 -12.387 8 HG SER 2 HG SER 2 14.099 25.014 -10.889 9 H SER 3 H SER 3 10.779 24.908 -12.076 10 HA SER 3 HA SER 3 9.748 27.486 -11.099 11 HB2 SER 3 1HB SER 3 8.364 24.797 -11.262 12 HB3 SER 3 2HB SER 3 7.640 26.281 -10.643 13 HG SER 3 HG SER 3 8.758 26.242 -13.220 14 H GLY 4 H GLY 4 12.033 26.483 -9.891 15 HA2 GLY 4 1HA GLY 4 12.733 26.429 -7.667 16 HA3 GLY 4 2HA GLY 4 11.067 26.164 -7.174 17 H SER 5 H SER 5 12.721 24.711 -5.806 18 HA SER 5 HA SER 5 12.688 22.048 -7.069 19 HB2 SER 5 1HB SER 5 14.962 23.211 -6.443 20 HB3 SER 5 2HB SER 5 14.549 22.690 -4.809 21 HG SER 5 HG SER 5 15.551 20.949 -5.534 22 H SER 6 H SER 6 10.556 21.711 -6.268 23 HA SER 6 HA SER 6 9.847 21.933 -3.547 24 HB2 SER 6 1HB SER 6 8.683 20.352 -5.838 25 HB3 SER 6 2HB SER 6 7.981 20.318 -4.221 26 HG SER 6 HG SER 6 6.939 21.932 -5.280 27 H GLY 7 H GLY 7 10.967 19.176 -5.486 28 HA2 GLY 7 1HA GLY 7 12.259 17.380 -4.743 29 HA3 GLY 7 2HA GLY 7 12.036 17.935 -3.090 30 H ARG 8 H ARG 8 11.700 15.268 -4.506 31 HA ARG 8 HA ARG 8 8.902 14.752 -3.753 32 HB2 ARG 8 1HB ARG 8 10.756 13.258 -5.610 33 HB3 ARG 8 2HB ARG 8 9.181 12.654 -5.113 34 HG2 ARG 8 1HG ARG 8 8.046 14.372 -6.248 35 HG3 ARG 8 2HG ARG 8 9.522 15.316 -6.454 36 HD2 ARG 8 1HD ARG 8 9.089 12.603 -7.687 37 HD3 ARG 8 2HD ARG 8 8.714 14.116 -8.509 38 HE ARG 8 HE ARG 8 11.334 13.005 -8.009 39 HH11 ARG 8 1HH1 ARG 8 9.487 15.839 -8.830 40 HH12 ARG 8 2HH1 ARG 8 10.823 16.655 -9.572 41 HH21 ARG 8 1HH2 ARG 8 13.101 14.069 -8.984 42 HH22 ARG 8 2HH2 ARG 8 12.879 15.647 -9.660 43 H SER 9 H SER 9 8.401 13.163 -2.294 44 HA SER 9 HA SER 9 10.566 11.559 -1.160 45 HB2 SER 9 1HB SER 9 10.147 13.786 0.133 46 HB3 SER 9 2HB SER 9 8.696 12.973 0.718 47 HG SER 9 HG SER 9 11.093 11.563 0.855 48 HA PRO 10 HA PRO 10 7.251 8.611 -1.561 49 HB2 PRO 10 1HB PRO 10 8.673 6.477 -0.668 50 HB3 PRO 10 2HB PRO 10 8.857 7.141 -2.296 51 HG2 PRO 10 1HG PRO 10 10.554 7.578 0.132 52 HG3 PRO 10 2HG PRO 10 11.053 7.290 -1.545 53 HD2 PRO 10 1HD PRO 10 11.021 9.761 -0.438 54 HD3 PRO 10 2HD PRO 10 10.694 9.483 -2.161 55 HA PRO 11 HA PRO 11 5.527 8.221 2.467 56 HB2 PRO 11 1HB PRO 11 4.204 5.859 2.264 57 HB3 PRO 11 2HB PRO 11 3.661 7.337 1.460 58 HG2 PRO 11 1HG PRO 11 5.199 5.026 0.340 59 HG3 PRO 11 2HG PRO 11 3.844 5.920 -0.375 60 HD2 PRO 11 1HD PRO 11 6.420 6.369 -1.079 61 HD3 PRO 11 2HD PRO 11 5.194 7.653 -1.074 62 H SER 12 H SER 12 6.375 7.660 4.367 63 HA SER 12 HA SER 12 7.898 5.141 4.535 64 HB2 SER 12 1HB SER 12 8.440 7.677 6.095 65 HB3 SER 12 2HB SER 12 9.409 6.204 6.104 66 HG SER 12 HG SER 12 10.208 7.912 4.716 67 H ASN 13 H ASN 13 8.244 4.629 7.026 68 HA ASN 13 HA ASN 13 7.312 3.900 8.969 69 HB2 ASN 13 1HB ASN 13 5.349 6.159 8.515 70 HB3 ASN 13 2HB ASN 13 5.563 5.274 10.022 71 HD21 ASN 13 1HD2 ASN 13 6.794 7.719 7.940 72 HD22 ASN 13 2HD2 ASN 13 8.055 8.276 8.982 73 H LEU 14 H LEU 14 6.554 2.688 6.512 74 HA LEU 14 HA LEU 14 3.802 2.261 6.235 75 HB2 LEU 14 1HB LEU 14 6.254 0.771 5.441 76 HB3 LEU 14 2HB LEU 14 4.694 -0.037 5.304 77 HG LEU 14 HG LEU 14 5.371 2.583 3.972 78 HD11 LEU 14 1HD1 LEU 14 5.990 -0.166 3.236 79 HD12 LEU 14 2HD1 LEU 14 6.605 1.352 2.582 80 HD13 LEU 14 3HD1 LEU 14 5.074 0.698 2.001 81 HD21 LEU 14 3HD2 LEU 14 3.258 2.645 3.252 82 HD22 LEU 14 1HD2 LEU 14 2.918 1.472 4.524 83 HD23 LEU 14 2HD2 LEU 14 3.242 0.921 2.880 84 H ALA 15 H ALA 15 2.362 1.079 7.327 85 HA ALA 15 HA ALA 15 3.330 -0.963 9.204 86 HB1 ALA 15 3HB ALA 15 2.286 -0.091 11.028 87 HB2 ALA 15 1HB ALA 15 2.642 1.410 10.173 88 HB3 ALA 15 2HB ALA 15 1.031 0.698 10.072 89 H LEU 16 H LEU 16 2.603 -2.694 8.051 90 HA LEU 16 HA LEU 16 -0.086 -2.728 6.973 91 HB2 LEU 16 1HB LEU 16 2.310 -4.466 6.816 92 HB3 LEU 16 2HB LEU 16 0.740 -5.234 6.588 93 HG LEU 16 HG LEU 16 0.284 -3.658 4.734 94 HD11 LEU 16 1HD1 LEU 16 2.105 -2.329 3.817 95 HD12 LEU 16 2HD1 LEU 16 3.153 -2.828 5.144 96 HD13 LEU 16 3HD1 LEU 16 1.734 -1.833 5.468 97 HD21 LEU 16 3HD2 LEU 16 2.671 -5.470 4.642 98 HD22 LEU 16 1HD2 LEU 16 2.109 -4.615 3.206 99 HD23 LEU 16 2HD2 LEU 16 1.040 -5.750 4.030 100 H ALA 17 H ALA 17 -1.769 -3.202 8.209 101 HA ALA 17 HA ALA 17 -1.388 -5.066 10.461 102 HB1 ALA 17 3HB ALA 17 -2.972 -2.576 10.176 103 HB2 ALA 17 1HB ALA 17 -3.657 -3.871 11.159 104 HB3 ALA 17 2HB ALA 17 -2.076 -3.200 11.561 105 H SER 18 H SER 18 -2.630 -6.853 10.592 106 HA SER 18 HA SER 18 -4.612 -7.261 8.452 107 HB2 SER 18 1HB SER 18 -2.598 -8.767 8.456 108 HB3 SER 18 2HB SER 18 -3.142 -9.398 10.010 109 HG SER 18 HG SER 18 -4.565 -9.496 7.555 110 H GLU 19 H GLU 19 -6.624 -7.031 9.157 111 HA GLU 19 HA GLU 19 -7.270 -7.880 11.899 112 HB2 GLU 19 1HB GLU 19 -9.013 -6.133 10.180 113 HB3 GLU 19 2HB GLU 19 -9.025 -6.308 11.929 114 HG2 GLU 19 1HG GLU 19 -7.067 -4.832 10.211 115 HG3 GLU 19 2HG GLU 19 -8.064 -4.218 11.528 116 H THR 20 H THR 20 -8.106 -8.251 8.527 117 HA THR 20 HA THR 20 -9.783 -10.550 9.247 118 HB THR 20 HB THR 20 -11.480 -9.017 8.771 119 HG1 THR 20 1HG THR 20 -12.004 -9.588 6.424 120 HG21 THR 20 3HG2 THR 20 -10.046 -8.055 6.304 121 HG22 THR 20 1HG2 THR 20 -9.855 -7.283 7.878 122 HG23 THR 20 2HG2 THR 20 -11.441 -7.332 7.107 123 HA PRO 21 HA PRO 21 -7.447 -12.648 6.166 124 HB2 PRO 21 1HB PRO 21 -9.197 -14.625 5.534 125 HB3 PRO 21 2HB PRO 21 -8.293 -14.592 7.053 126 HG2 PRO 21 1HG PRO 21 -11.118 -13.764 6.511 127 HG3 PRO 21 2HG PRO 21 -10.466 -14.689 7.876 128 HD2 PRO 21 1HD PRO 21 -11.039 -12.048 8.047 129 HD3 PRO 21 2HD PRO 21 -9.714 -12.799 8.960 130 H ASP 22 H ASP 22 -10.037 -10.738 5.486 131 HA ASP 22 HA ASP 22 -9.850 -11.296 2.598 132 HB2 ASP 22 1HB ASP 22 -12.112 -11.673 3.932 133 HB3 ASP 22 2HB ASP 22 -12.257 -9.931 3.716 134 H SER 23 H SER 23 -8.878 -9.237 4.901 135 HA SER 23 HA SER 23 -8.468 -7.091 3.010 136 HB2 SER 23 1HB SER 23 -9.678 -6.210 5.595 137 HB3 SER 23 2HB SER 23 -9.701 -5.421 4.018 138 HG SER 23 HG SER 23 -11.310 -6.756 3.364 139 H LEU 24 H LEU 24 -6.846 -5.613 3.663 140 HA LEU 24 HA LEU 24 -5.427 -6.252 6.147 141 HB2 LEU 24 1HB LEU 24 -4.420 -7.497 4.228 142 HB3 LEU 24 2HB LEU 24 -4.049 -5.942 3.486 143 HG LEU 24 HG LEU 24 -2.805 -5.559 5.800 144 HD11 LEU 24 1HD1 LEU 24 -1.640 -7.927 6.115 145 HD12 LEU 24 2HD1 LEU 24 -3.237 -8.484 5.614 146 HD13 LEU 24 3HD1 LEU 24 -3.069 -7.447 7.031 147 HD21 LEU 24 3HD2 LEU 24 -1.369 -7.330 3.891 148 HD22 LEU 24 1HD2 LEU 24 -0.858 -5.814 4.634 149 HD23 LEU 24 2HD2 LEU 24 -2.007 -5.796 3.296 150 H GLN 25 H GLN 25 -5.293 -4.430 7.263 151 HA GLN 25 HA GLN 25 -5.662 -1.862 6.120 152 HB2 GLN 25 1HB GLN 25 -6.116 -2.669 8.538 153 HB3 GLN 25 2HB GLN 25 -4.413 -2.324 8.814 154 HG2 GLN 25 1HG GLN 25 -5.568 -0.411 9.513 155 HG3 GLN 25 2HG GLN 25 -4.877 0.001 7.944 156 HE21 GLN 25 1HE2 GLN 25 -7.776 -1.826 8.839 157 HE22 GLN 25 2HE2 GLN 25 -8.886 -0.826 7.972 158 H VAL 26 H VAL 26 -4.225 -0.253 5.638 159 HA VAL 26 HA VAL 26 -1.381 -0.673 6.108 160 HB VAL 26 HB VAL 26 -1.545 -1.726 3.988 161 HG11 VAL 26 1HG1 VAL 26 -3.131 0.665 3.056 162 HG12 VAL 26 2HG1 VAL 26 -2.630 -0.696 2.051 163 HG13 VAL 26 3HG1 VAL 26 -3.772 -0.947 3.371 164 HG21 VAL 26 3HG2 VAL 26 -0.628 1.128 3.670 165 HG22 VAL 26 1HG2 VAL 26 0.349 -0.262 4.142 166 HG23 VAL 26 2HG2 VAL 26 -0.301 -0.155 2.506 167 H SER 27 H SER 27 -0.723 1.157 7.005 168 HA SER 27 HA SER 27 -1.758 3.700 5.933 169 HB2 SER 27 1HB SER 27 -0.909 3.246 8.798 170 HB3 SER 27 2HB SER 27 -1.732 4.656 8.130 171 HG SER 27 HG SER 27 -3.369 3.537 8.962 172 H TRP 28 H TRP 28 -0.264 5.576 6.530 173 HA TRP 28 HA TRP 28 2.507 5.019 6.934 174 HB2 TRP 28 1HB TRP 28 3.265 5.832 4.697 175 HB3 TRP 28 2HB TRP 28 2.435 4.280 4.640 176 HD1 TRP 28 HD TRP 28 1.922 7.974 3.712 177 HE1 TRP 28 1HE TRP 28 0.044 8.118 1.958 178 HE3 TRP 28 3HE TRP 28 0.413 3.090 3.738 179 HZ2 TRP 28 2HZ TRP 28 -1.829 6.389 0.746 180 HZ3 TRP 28 3HZ TRP 28 -1.429 2.417 2.252 181 HH2 TRP 28 HH TRP 28 -2.526 4.034 0.788 182 H THR 29 H THR 29 3.832 7.094 6.385 183 HA THR 29 HA THR 29 2.262 9.372 7.377 184 HB THR 29 HB THR 29 5.171 8.657 7.637 185 HG1 THR 29 1HG THR 29 4.664 8.557 9.734 186 HG21 THR 29 3HG2 THR 29 5.138 10.986 6.938 187 HG22 THR 29 1HG2 THR 29 5.544 10.875 8.650 188 HG23 THR 29 2HG2 THR 29 3.920 11.357 8.159 189 HA PRO 30 HA PRO 30 2.776 11.093 3.290 190 HB2 PRO 30 1HB PRO 30 1.439 13.399 3.804 191 HB3 PRO 30 2HB PRO 30 0.621 11.860 3.506 192 HG2 PRO 30 1HG PRO 30 1.224 13.212 6.108 193 HG3 PRO 30 2HG PRO 30 -0.260 12.390 5.592 194 HD2 PRO 30 1HD PRO 30 1.570 11.215 7.205 195 HD3 PRO 30 2HD PRO 30 0.593 10.296 6.042 196 HA PRO 31 HA PRO 31 6.340 13.640 3.916 197 HB2 PRO 31 1HB PRO 31 6.552 14.618 1.393 198 HB3 PRO 31 2HB PRO 31 6.995 12.962 1.821 199 HG2 PRO 31 1HG PRO 31 4.480 13.983 0.560 200 HG3 PRO 31 2HG PRO 31 5.432 12.544 0.152 201 HD2 PRO 31 1HD PRO 31 3.165 12.420 1.629 202 HD3 PRO 31 2HD PRO 31 4.523 11.301 1.867 203 H LEU 32 H LEU 32 6.949 15.990 2.813 204 HA LEU 32 HA LEU 32 4.942 17.779 3.947 205 HB2 LEU 32 1HB LEU 32 6.631 19.389 4.132 206 HB3 LEU 32 2HB LEU 32 7.400 17.861 4.555 207 HG LEU 32 HG LEU 32 7.621 18.885 1.758 208 HD11 LEU 32 1HD1 LEU 32 9.769 19.665 3.609 209 HD12 LEU 32 2HD1 LEU 32 8.264 20.570 3.765 210 HD13 LEU 32 3HD1 LEU 32 9.102 20.514 2.215 211 HD21 LEU 32 3HD2 LEU 32 9.997 17.794 2.891 212 HD22 LEU 32 1HD2 LEU 32 9.000 17.159 1.583 213 HD23 LEU 32 2HD2 LEU 32 8.647 16.719 3.254 214 H GLY 33 H GLY 33 6.315 16.868 0.898 215 HA2 GLY 33 1HA GLY 33 5.520 19.194 -0.557 216 HA3 GLY 33 2HA GLY 33 5.995 17.649 -1.246 217 H ARG 34 H ARG 34 3.810 19.462 -2.002 218 HA ARG 34 HA ARG 34 1.332 18.376 -1.162 219 HB2 ARG 34 1HB ARG 34 1.656 20.635 -2.200 220 HB3 ARG 34 2HB ARG 34 1.915 19.833 -3.743 221 HG2 ARG 34 1HG ARG 34 -0.574 19.234 -2.232 222 HG3 ARG 34 2HG ARG 34 -0.438 20.779 -3.073 223 HD2 ARG 34 1HD ARG 34 -0.370 19.797 -5.149 224 HD3 ARG 34 2HD ARG 34 0.285 18.283 -4.528 225 HE ARG 34 HE ARG 34 -1.852 17.529 -4.222 226 HH11 ARG 34 1HH1 ARG 34 -1.915 20.986 -4.630 227 HH12 ARG 34 2HH1 ARG 34 -3.644 21.076 -4.704 228 HH21 ARG 34 1HH2 ARG 34 -4.128 17.635 -4.317 229 HH22 ARG 34 2HH2 ARG 34 -4.902 19.170 -4.524 230 H VAL 35 H VAL 35 0.777 16.325 -1.497 231 HA VAL 35 HA VAL 35 1.577 15.011 -3.997 232 HB VAL 35 HB VAL 35 0.472 13.795 -1.461 233 HG11 VAL 35 1HG1 VAL 35 1.170 11.653 -2.480 234 HG12 VAL 35 2HG1 VAL 35 -0.114 12.457 -3.384 235 HG13 VAL 35 3HG1 VAL 35 1.548 12.516 -3.971 236 HG21 VAL 35 3HG2 VAL 35 2.619 13.262 -0.817 237 HG22 VAL 35 1HG2 VAL 35 3.254 13.382 -2.458 238 HG23 VAL 35 2HG2 VAL 35 2.865 14.845 -1.553 239 H LEU 36 H LEU 36 0.139 14.856 -5.576 240 HA LEU 36 HA LEU 36 -2.549 15.653 -5.334 241 HB2 LEU 36 1HB LEU 36 -1.325 13.935 -7.486 242 HB3 LEU 36 2HB LEU 36 -2.817 14.864 -7.605 243 HG LEU 36 HG LEU 36 -0.073 16.069 -7.261 244 HD11 LEU 36 1HD1 LEU 36 0.120 16.315 -9.514 245 HD12 LEU 36 2HD1 LEU 36 -1.624 16.319 -9.778 246 HD13 LEU 36 3HD1 LEU 36 -0.782 14.799 -9.475 247 HD21 LEU 36 3HD2 LEU 36 -1.071 18.151 -7.514 248 HD22 LEU 36 1HD2 LEU 36 -2.202 17.292 -6.469 249 HD23 LEU 36 2HD2 LEU 36 -2.553 17.471 -8.188 250 H HIS 37 H HIS 37 -1.379 12.399 -6.215 251 HA HIS 37 HA HIS 37 -3.468 11.249 -4.505 252 HB2 HIS 37 1HB HIS 37 -3.922 9.558 -6.315 253 HB3 HIS 37 2HB HIS 37 -4.465 11.193 -6.679 254 HD1 HIS 37 1HD HIS 37 -2.565 8.464 -8.075 255 HD2 HIS 37 2HD HIS 37 -2.534 12.603 -8.435 256 HE1 HIS 37 1HE HIS 37 -1.301 8.945 -10.195 257 HE2 HIS 37 2HE HIS 37 -1.221 11.458 -10.347 258 H TYR 38 H TYR 38 -3.050 9.121 -3.771 259 HA TYR 38 HA TYR 38 -0.195 8.460 -3.780 260 HB2 TYR 38 1HB TYR 38 -2.461 7.746 -1.925 261 HB3 TYR 38 2HB TYR 38 -0.903 6.931 -1.851 262 HD1 TYR 38 2HD TYR 38 1.111 8.859 -2.033 263 HD2 TYR 38 1HD TYR 38 -2.728 9.301 -0.253 264 HE1 TYR 38 2HE TYR 38 1.988 10.656 -0.601 265 HE2 TYR 38 1HE TYR 38 -1.862 11.100 1.183 266 HH TYR 38 HH TYR 38 1.338 12.426 0.738 267 H TRP 39 H TRP 39 0.144 7.262 -5.592 268 HA TRP 39 HA TRP 39 -1.649 5.264 -6.530 269 HB2 TRP 39 1HB TRP 39 0.169 6.560 -7.836 270 HB3 TRP 39 2HB TRP 39 1.281 5.347 -7.206 271 HD1 TRP 39 HD TRP 39 1.714 3.547 -8.957 272 HE1 TRP 39 1HE TRP 39 0.329 2.341 -10.760 273 HE3 TRP 39 3HE TRP 39 -2.756 5.932 -8.277 274 HZ2 TRP 39 2HZ TRP 39 -2.309 2.394 -11.762 275 HZ3 TRP 39 3HZ TRP 39 -4.661 5.296 -9.699 276 HH2 TRP 39 HH TRP 39 -4.440 3.564 -11.406 277 H LEU 40 H LEU 40 -2.092 3.655 -5.112 278 HA LEU 40 HA LEU 40 0.116 2.295 -3.761 279 HB2 LEU 40 1HB LEU 40 -2.172 3.049 -2.719 280 HB3 LEU 40 2HB LEU 40 -2.746 1.533 -3.410 281 HG LEU 40 HG LEU 40 -0.325 1.479 -1.674 282 HD11 LEU 40 1HD1 LEU 40 -2.592 2.746 -0.766 283 HD12 LEU 40 2HD1 LEU 40 -1.354 1.990 0.236 284 HD13 LEU 40 3HD1 LEU 40 -2.804 1.087 -0.204 285 HD21 LEU 40 3HD2 LEU 40 -0.735 -0.722 -1.601 286 HD22 LEU 40 1HD2 LEU 40 -1.776 -0.419 -2.993 287 HD23 LEU 40 2HD2 LEU 40 -2.469 -0.491 -1.372 288 H THR 41 H THR 41 0.791 0.296 -4.272 289 HA THR 41 HA THR 41 -0.819 -1.309 -6.131 290 HB THR 41 HB THR 41 1.372 -1.973 -7.260 291 HG1 THR 41 1HG THR 41 2.292 0.536 -6.314 292 HG21 THR 41 3HG2 THR 41 -0.367 0.253 -7.684 293 HG22 THR 41 1HG2 THR 41 0.500 -0.714 -8.876 294 HG23 THR 41 2HG2 THR 41 1.268 0.705 -8.164 295 H TYR 42 H TYR 42 -1.330 -2.984 -4.845 296 HA TYR 42 HA TYR 42 0.723 -4.153 -3.121 297 HB2 TYR 42 1HB TYR 42 -1.090 -5.358 -2.050 298 HB3 TYR 42 2HB TYR 42 -1.506 -3.651 -2.157 299 HD1 TYR 42 1HD TYR 42 -3.183 -2.893 -3.827 300 HD2 TYR 42 2HD TYR 42 -2.393 -7.019 -3.157 301 HE1 TYR 42 1HE TYR 42 -5.294 -3.473 -4.948 302 HE2 TYR 42 2HE TYR 42 -4.501 -7.611 -4.276 303 HH TYR 42 HH TYR 42 -6.288 -5.400 -6.118 304 H ALA 43 H ALA 43 0.795 -6.564 -2.999 305 HA ALA 43 HA ALA 43 -0.056 -8.082 -5.278 306 HB1 ALA 43 3HB ALA 43 2.679 -8.577 -5.418 307 HB2 ALA 43 1HB ALA 43 1.693 -7.714 -6.599 308 HB3 ALA 43 2HB ALA 43 2.539 -6.821 -5.335 309 HA PRO 44 HA PRO 44 0.477 -11.517 -2.600 310 HB2 PRO 44 1HB PRO 44 1.527 -13.452 -4.189 311 HB3 PRO 44 2HB PRO 44 -0.146 -12.897 -4.328 312 HG2 PRO 44 1HG PRO 44 2.243 -12.140 -5.966 313 HG3 PRO 44 2HG PRO 44 0.592 -12.508 -6.499 314 HD2 PRO 44 1HD PRO 44 1.512 -9.974 -6.252 315 HD3 PRO 44 2HD PRO 44 -0.185 -10.406 -5.961 316 H ALA 45 H ALA 45 3.096 -9.830 -3.642 317 HA ALA 45 HA ALA 45 5.259 -9.660 -2.954 318 HB1 ALA 45 3HB ALA 45 5.383 -11.550 -0.830 319 HB2 ALA 45 1HB ALA 45 5.336 -9.789 -0.743 320 HB3 ALA 45 2HB ALA 45 3.833 -10.713 -0.749 321 H SER 46 H SER 46 4.405 -11.751 -4.869 322 HA SER 46 HA SER 46 6.899 -13.058 -5.172 323 HB2 SER 46 1HB SER 46 5.666 -14.387 -3.304 324 HB3 SER 46 2HB SER 46 4.679 -15.010 -4.626 325 HG SER 46 HG SER 46 6.800 -15.535 -5.626 326 H GLY 47 H GLY 47 7.096 -14.119 -7.173 327 HA2 GLY 47 1HA GLY 47 5.342 -13.160 -9.197 328 HA3 GLY 47 2HA GLY 47 6.673 -14.285 -9.428 329 H LEU 48 H LEU 48 3.380 -14.169 -8.076 330 HA LEU 48 HA LEU 48 2.954 -16.869 -9.178 331 HB2 LEU 48 1HB LEU 48 1.780 -15.642 -6.687 332 HB3 LEU 48 2HB LEU 48 1.301 -17.198 -7.362 333 HG LEU 48 HG LEU 48 4.122 -16.636 -6.487 334 HD11 LEU 48 1HD1 LEU 48 3.654 -17.520 -4.343 335 HD12 LEU 48 2HD1 LEU 48 2.008 -17.956 -4.803 336 HD13 LEU 48 3HD1 LEU 48 2.457 -16.258 -4.635 337 HD21 LEU 48 3HD2 LEU 48 2.610 -18.930 -7.515 338 HD22 LEU 48 1HD2 LEU 48 3.601 -19.275 -6.097 339 HD23 LEU 48 2HD2 LEU 48 4.343 -18.601 -7.548 340 H GLY 49 H GLY 49 1.235 -13.908 -8.172 341 HA2 GLY 49 1HA GLY 49 -0.638 -14.384 -10.410 342 HA3 GLY 49 2HA GLY 49 -1.130 -13.675 -8.879 343 HA PRO 50 HA PRO 50 -0.059 -10.345 -12.021 344 HB2 PRO 50 1HB PRO 50 -2.514 -9.185 -12.077 345 HB3 PRO 50 2HB PRO 50 -2.050 -10.506 -13.157 346 HG2 PRO 50 1HG PRO 50 -3.639 -10.601 -10.622 347 HG3 PRO 50 2HG PRO 50 -3.929 -11.441 -12.157 348 HD2 PRO 50 1HD PRO 50 -2.790 -12.658 -10.023 349 HD3 PRO 50 2HD PRO 50 -2.377 -13.082 -11.697 350 H GLU 51 H GLU 51 -0.198 -7.986 -11.656 351 HA GLU 51 HA GLU 51 -0.100 -7.406 -8.786 352 HB2 GLU 51 1HB GLU 51 1.867 -6.897 -10.288 353 HB3 GLU 51 2HB GLU 51 0.873 -5.665 -11.052 354 HG2 GLU 51 1HG GLU 51 1.961 -4.379 -9.537 355 HG3 GLU 51 2HG GLU 51 0.573 -4.856 -8.561 356 H LYS 52 H LYS 52 -1.345 -5.865 -7.827 357 HA LYS 52 HA LYS 52 -3.499 -4.729 -9.477 358 HB2 LYS 52 1HB LYS 52 -3.400 -5.298 -6.509 359 HB3 LYS 52 2HB LYS 52 -4.745 -4.517 -7.330 360 HG2 LYS 52 1HG LYS 52 -3.772 -7.239 -8.128 361 HG3 LYS 52 2HG LYS 52 -4.950 -7.004 -6.835 362 HD2 LYS 52 1HD LYS 52 -6.581 -6.250 -8.276 363 HD3 LYS 52 2HD LYS 52 -5.412 -5.699 -9.479 364 HE2 LYS 52 1HE LYS 52 -5.745 -8.612 -8.847 365 HE3 LYS 52 2HE LYS 52 -6.810 -7.800 -9.993 366 HZ1 LYS 52 3HZ LYS 52 -5.142 -7.530 -11.497 367 HZ2 LYS 52 1HZ LYS 52 -4.607 -8.960 -10.767 368 HZ3 LYS 52 2HZ LYS 52 -3.919 -7.478 -10.328 369 H SER 53 H SER 53 -4.423 -2.642 -8.422 370 HA SER 53 HA SER 53 -2.522 -0.940 -7.106 371 HB2 SER 53 1HB SER 53 -2.440 0.745 -8.958 372 HB3 SER 53 2HB SER 53 -1.597 -0.759 -9.331 373 HG SER 53 HG SER 53 -2.925 -1.064 -10.923 374 H VAL 54 H VAL 54 -3.769 0.096 -5.710 375 HA VAL 54 HA VAL 54 -6.479 0.891 -6.543 376 HB VAL 54 HB VAL 54 -7.061 0.967 -4.168 377 HG11 VAL 54 1HG1 VAL 54 -6.683 -1.281 -5.703 378 HG12 VAL 54 2HG1 VAL 54 -5.871 -1.693 -4.192 379 HG13 VAL 54 3HG1 VAL 54 -7.568 -1.209 -4.179 380 HG21 VAL 54 3HG2 VAL 54 -4.993 1.579 -3.154 381 HG22 VAL 54 1HG2 VAL 54 -5.436 -0.006 -2.520 382 HG23 VAL 54 2HG2 VAL 54 -4.194 0.130 -3.765 383 H SER 55 H SER 55 -6.942 2.984 -6.724 384 HA SER 55 HA SER 55 -4.922 4.958 -6.231 385 HB2 SER 55 1HB SER 55 -6.549 5.025 -8.153 386 HB3 SER 55 2HB SER 55 -7.812 5.428 -6.991 387 HG SER 55 HG SER 55 -6.663 7.222 -8.113 388 H VAL 56 H VAL 56 -4.829 6.499 -4.661 389 HA VAL 56 HA VAL 56 -6.952 6.526 -2.629 390 HB VAL 56 HB VAL 56 -3.992 6.407 -2.036 391 HG11 VAL 56 1HG1 VAL 56 -4.519 6.605 0.258 392 HG12 VAL 56 2HG1 VAL 56 -5.409 7.894 -0.553 393 HG13 VAL 56 3HG1 VAL 56 -6.247 6.427 -0.045 394 HG21 VAL 56 3HG2 VAL 56 -4.885 4.236 -2.652 395 HG22 VAL 56 1HG2 VAL 56 -4.546 4.283 -0.921 396 HG23 VAL 56 2HG2 VAL 56 -6.206 4.428 -1.499 397 HA PRO 57 HA PRO 57 -6.634 10.896 -3.175 398 HB2 PRO 57 1HB PRO 57 -8.019 11.650 -0.965 399 HB3 PRO 57 2HB PRO 57 -8.798 10.987 -2.406 400 HG2 PRO 57 1HG PRO 57 -8.082 9.620 0.159 401 HG3 PRO 57 2HG PRO 57 -9.565 9.487 -0.804 402 HD2 PRO 57 1HD PRO 57 -7.597 7.629 -0.895 403 HD3 PRO 57 2HD PRO 57 -8.611 8.016 -2.300 404 H GLY 58 H GLY 58 -4.778 11.946 -2.832 405 HA2 GLY 58 1HA GLY 58 -2.861 11.546 -0.957 406 HA3 GLY 58 2HA GLY 58 -3.168 13.124 -1.666 407 H ALA 59 H ALA 59 -5.858 13.285 -0.481 408 HA ALA 59 HA ALA 59 -5.377 14.787 1.749 409 HB1 ALA 59 3HB ALA 59 -7.795 14.003 2.411 410 HB2 ALA 59 1HB ALA 59 -7.526 15.011 0.989 411 HB3 ALA 59 2HB ALA 59 -7.761 13.272 0.806 412 H ARG 60 H ARG 60 -6.068 11.307 1.649 413 HA ARG 60 HA ARG 60 -5.337 11.137 4.493 414 HB2 ARG 60 1HB ARG 60 -6.514 9.000 4.528 415 HB3 ARG 60 2HB ARG 60 -7.569 10.278 3.938 416 HG2 ARG 60 1HG ARG 60 -6.711 9.436 1.594 417 HG3 ARG 60 2HG ARG 60 -6.416 7.951 2.501 418 HD2 ARG 60 1HD ARG 60 -8.854 8.348 3.361 419 HD3 ARG 60 2HD ARG 60 -8.992 9.339 1.909 420 HE ARG 60 HE ARG 60 -7.905 6.815 1.261 421 HH11 ARG 60 1HH1 ARG 60 -10.894 8.340 2.187 422 HH12 ARG 60 2HH1 ARG 60 -11.891 7.170 1.388 423 HH21 ARG 60 1HH2 ARG 60 -9.206 5.267 0.205 424 HH22 ARG 60 2HH2 ARG 60 -10.929 5.421 0.262 425 H SER 61 H SER 61 -3.894 9.516 5.195 426 HA SER 61 HA SER 61 -2.135 8.481 3.068 427 HB2 SER 61 1HB SER 61 -0.326 8.542 4.816 428 HB3 SER 61 2HB SER 61 -0.942 10.128 4.352 429 HG SER 61 HG SER 61 -2.317 9.977 6.239 430 H HIS 62 H HIS 62 -4.520 7.231 4.305 431 HA HIS 62 HA HIS 62 -3.230 4.721 5.077 432 HB2 HIS 62 1HB HIS 62 -5.696 5.364 6.580 433 HB3 HIS 62 2HB HIS 62 -4.247 4.510 7.102 434 HD1 HIS 62 1HD HIS 62 -3.082 5.730 8.893 435 HD2 HIS 62 2HD HIS 62 -4.929 8.325 6.226 436 HE1 HIS 62 1HE HIS 62 -2.580 8.041 9.748 437 HE2 HIS 62 2HE HIS 62 -3.779 9.592 8.166 438 H VAL 63 H VAL 63 -4.331 2.878 4.466 439 HA VAL 63 HA VAL 63 -7.017 2.985 3.450 440 HB VAL 63 HB VAL 63 -5.418 3.855 1.584 441 HG11 VAL 63 1HG1 VAL 63 -4.504 2.063 0.176 442 HG12 VAL 63 2HG1 VAL 63 -3.757 2.089 1.774 443 HG13 VAL 63 3HG1 VAL 63 -4.979 0.876 1.391 444 HG21 VAL 63 3HG2 VAL 63 -7.006 3.271 0.039 445 HG22 VAL 63 1HG2 VAL 63 -7.135 1.616 0.635 446 HG23 VAL 63 2HG2 VAL 63 -7.889 2.936 1.529 447 H THR 64 H THR 64 -7.648 0.823 2.486 448 HA THR 64 HA THR 64 -6.056 -1.373 3.623 449 HB THR 64 HB THR 64 -9.068 -1.305 3.790 450 HG1 THR 64 1HG THR 64 -8.568 -0.896 6.101 451 HG21 THR 64 3HG2 THR 64 -7.263 -2.912 5.542 452 HG22 THR 64 1HG2 THR 64 -7.570 -3.461 3.896 453 HG23 THR 64 2HG2 THR 64 -8.913 -3.248 5.019 454 H LEU 65 H LEU 65 -6.117 -3.308 2.505 455 HA LEU 65 HA LEU 65 -7.287 -3.144 -0.183 456 HB2 LEU 65 1HB LEU 65 -5.168 -5.020 0.853 457 HB3 LEU 65 2HB LEU 65 -5.696 -4.856 -0.820 458 HG LEU 65 HG LEU 65 -4.470 -2.543 0.643 459 HD11 LEU 65 1HD1 LEU 65 -2.301 -3.215 -0.330 460 HD12 LEU 65 2HD1 LEU 65 -3.018 -4.755 -0.801 461 HD13 LEU 65 3HD1 LEU 65 -2.879 -4.333 0.906 462 HD21 LEU 65 3HD2 LEU 65 -5.074 -3.288 -2.177 463 HD22 LEU 65 1HD2 LEU 65 -3.692 -2.242 -1.849 464 HD23 LEU 65 2HD2 LEU 65 -5.308 -1.754 -1.338 465 HA PRO 66 HA PRO 66 -10.197 -6.086 1.701 466 HB2 PRO 66 1HB PRO 66 -12.157 -5.624 -0.119 467 HB3 PRO 66 2HB PRO 66 -11.883 -4.582 1.283 468 HG2 PRO 66 1HG PRO 66 -11.017 -4.203 -1.558 469 HG3 PRO 66 2HG PRO 66 -11.697 -3.018 -0.427 470 HD2 PRO 66 1HD PRO 66 -9.045 -3.179 -0.948 471 HD3 PRO 66 2HD PRO 66 -9.679 -2.685 0.635 472 H ASP 67 H ASP 67 -11.628 -7.787 0.501 473 HA ASP 67 HA ASP 67 -11.588 -9.768 -0.629 474 HB2 ASP 67 1HB ASP 67 -12.281 -8.378 -2.473 475 HB3 ASP 67 2HB ASP 67 -10.619 -7.885 -2.786 476 H LEU 68 H LEU 68 -9.550 -9.825 1.009 477 HA LEU 68 HA LEU 68 -7.199 -10.610 -0.579 478 HB2 LEU 68 1HB LEU 68 -7.528 -9.480 2.159 479 HB3 LEU 68 2HB LEU 68 -6.142 -10.516 1.825 480 HG LEU 68 HG LEU 68 -6.808 -7.901 0.476 481 HD11 LEU 68 1HD1 LEU 68 -4.536 -7.323 1.473 482 HD12 LEU 68 2HD1 LEU 68 -4.749 -8.749 2.488 483 HD13 LEU 68 3HD1 LEU 68 -5.904 -7.420 2.583 484 HD21 LEU 68 3HD2 LEU 68 -5.654 -8.691 -1.258 485 HD22 LEU 68 1HD2 LEU 68 -5.157 -10.131 -0.370 486 HD23 LEU 68 2HD2 LEU 68 -4.233 -8.637 -0.214 487 H GLN 69 H GLN 69 -5.842 -12.248 0.977 488 HA GLN 69 HA GLN 69 -7.700 -14.469 1.516 489 HB2 GLN 69 1HB GLN 69 -4.945 -14.406 0.328 490 HB3 GLN 69 2HB GLN 69 -5.540 -15.864 1.112 491 HG2 GLN 69 1HG GLN 69 -7.155 -14.525 -1.014 492 HG3 GLN 69 2HG GLN 69 -5.813 -15.586 -1.439 493 HE21 GLN 69 1HE2 GLN 69 -6.115 -17.725 -1.411 494 HE22 GLN 69 2HE2 GLN 69 -7.552 -18.515 -0.869 495 H ALA 70 H ALA 70 -6.232 -16.213 2.870 496 HA ALA 70 HA ALA 70 -5.437 -14.740 5.294 497 HB1 ALA 70 3HB ALA 70 -5.975 -17.490 5.842 498 HB2 ALA 70 1HB ALA 70 -6.802 -16.054 6.445 499 HB3 ALA 70 2HB ALA 70 -7.323 -16.804 4.936 500 H ALA 71 H ALA 71 -3.643 -15.466 6.492 501 HA ALA 71 HA ALA 71 -1.463 -16.109 6.685 502 HB1 ALA 71 3HB ALA 71 -2.938 -18.319 6.682 503 HB2 ALA 71 1HB ALA 71 -1.986 -18.641 5.233 504 HB3 ALA 71 2HB ALA 71 -1.178 -18.363 6.776 505 H THR 72 H THR 72 -1.623 -14.390 4.671 506 HA THR 72 HA THR 72 0.504 -15.214 2.935 507 HB THR 72 HB THR 72 -2.166 -14.581 1.662 508 HG1 THR 72 1HG THR 72 -2.283 -16.689 2.231 509 HG21 THR 72 3HG2 THR 72 0.179 -13.913 0.610 510 HG22 THR 72 1HG2 THR 72 -1.137 -14.543 -0.380 511 HG23 THR 72 2HG2 THR 72 0.169 -15.611 0.135 512 H LYS 73 H LYS 73 1.732 -13.475 3.344 513 HA LYS 73 HA LYS 73 0.835 -10.888 3.887 514 HB2 LYS 73 1HB LYS 73 3.065 -10.250 3.882 515 HB3 LYS 73 2HB LYS 73 3.180 -11.976 4.197 516 HG2 LYS 73 1HG LYS 73 3.464 -10.750 1.465 517 HG3 LYS 73 2HG LYS 73 4.820 -11.103 2.538 518 HD2 LYS 73 1HD LYS 73 2.840 -13.237 1.831 519 HD3 LYS 73 2HD LYS 73 4.157 -12.834 0.727 520 HE2 LYS 73 1HE LYS 73 5.780 -13.587 2.178 521 HE3 LYS 73 2HE LYS 73 4.769 -13.343 3.602 522 HZ1 LYS 73 3HZ LYS 73 3.487 -15.239 2.048 523 HZ2 LYS 73 1HZ LYS 73 4.289 -15.489 3.516 524 HZ3 LYS 73 2HZ LYS 73 5.119 -15.683 2.056 525 H TYR 74 H TYR 74 1.551 -8.946 2.488 526 HA TYR 74 HA TYR 74 1.195 -9.398 -0.368 527 HB2 TYR 74 1HB TYR 74 -0.761 -7.959 1.386 528 HB3 TYR 74 2HB TYR 74 -0.530 -7.424 -0.275 529 HD1 TYR 74 2HD TYR 74 -1.400 -10.406 1.768 530 HD2 TYR 74 1HD TYR 74 -1.628 -8.510 -2.034 531 HE1 TYR 74 2HE TYR 74 -2.951 -12.152 0.996 532 HE2 TYR 74 1HE TYR 74 -3.180 -10.250 -2.816 533 HH TYR 74 HH TYR 74 -3.687 -13.145 -1.145 534 H ARG 75 H ARG 75 2.951 -8.426 -1.143 535 HA ARG 75 HA ARG 75 4.360 -6.347 0.101 536 HB2 ARG 75 1HB ARG 75 4.981 -8.011 -1.871 537 HB3 ARG 75 2HB ARG 75 4.483 -6.648 -2.863 538 HG2 ARG 75 1HG ARG 75 6.096 -5.276 -1.392 539 HG3 ARG 75 2HG ARG 75 6.765 -6.847 -0.943 540 HD2 ARG 75 1HD ARG 75 6.358 -6.238 -3.828 541 HD3 ARG 75 2HD ARG 75 7.712 -5.482 -2.990 542 HE ARG 75 HE ARG 75 7.577 -8.305 -2.548 543 HH11 ARG 75 1HH1 ARG 75 8.643 -5.837 -4.760 544 HH12 ARG 75 2HH1 ARG 75 9.883 -6.821 -5.465 545 HH21 ARG 75 1HH2 ARG 75 9.205 -9.610 -3.468 546 HH22 ARG 75 2HH2 ARG 75 10.201 -8.968 -4.730 547 H VAL 76 H VAL 76 3.225 -4.540 0.611 548 HA VAL 76 HA VAL 76 1.523 -3.260 -1.364 549 HB VAL 76 HB VAL 76 2.186 -2.524 1.488 550 HG11 VAL 76 1HG1 VAL 76 -0.079 -1.121 0.738 551 HG12 VAL 76 2HG1 VAL 76 1.539 -0.455 0.968 552 HG13 VAL 76 3HG1 VAL 76 1.007 -0.946 -0.640 553 HG21 VAL 76 3HG2 VAL 76 0.724 -4.227 1.780 554 HG22 VAL 76 1HG2 VAL 76 -0.460 -2.964 1.447 555 HG23 VAL 76 2HG2 VAL 76 0.041 -4.064 0.163 556 H LEU 77 H LEU 77 2.503 -2.103 -2.894 557 HA LEU 77 HA LEU 77 4.887 -0.540 -2.199 558 HB2 LEU 77 1HB LEU 77 3.831 -1.733 -4.706 559 HB3 LEU 77 2HB LEU 77 4.792 -0.261 -4.834 560 HG LEU 77 HG LEU 77 6.459 -1.690 -3.327 561 HD11 LEU 77 1HD1 LEU 77 4.476 -3.581 -4.044 562 HD12 LEU 77 2HD1 LEU 77 5.983 -3.846 -3.167 563 HD13 LEU 77 3HD1 LEU 77 5.951 -3.982 -4.924 564 HD21 LEU 77 3HD2 LEU 77 7.074 -0.692 -5.421 565 HD22 LEU 77 1HD2 LEU 77 6.125 -1.878 -6.317 566 HD23 LEU 77 2HD2 LEU 77 7.569 -2.385 -5.439 567 H VAL 78 H VAL 78 4.418 1.459 -1.555 568 HA VAL 78 HA VAL 78 2.227 2.902 -2.886 569 HB VAL 78 HB VAL 78 3.580 3.669 -0.302 570 HG11 VAL 78 1HG1 VAL 78 1.876 5.231 -0.020 571 HG12 VAL 78 2HG1 VAL 78 2.255 5.348 -1.739 572 HG13 VAL 78 3HG1 VAL 78 0.833 4.450 -1.208 573 HG21 VAL 78 3HG2 VAL 78 1.132 2.789 0.448 574 HG22 VAL 78 1HG2 VAL 78 1.505 1.662 -0.857 575 HG23 VAL 78 2HG2 VAL 78 2.600 1.813 0.517 576 H SER 79 H SER 79 2.553 4.902 -3.797 577 HA SER 79 HA SER 79 5.248 6.040 -3.735 578 HB2 SER 79 1HB SER 79 3.830 5.782 -6.373 579 HB3 SER 79 2HB SER 79 5.541 6.072 -6.059 580 HG SER 79 HG SER 79 5.837 3.973 -5.622 581 H ALA 80 H ALA 80 5.251 8.204 -3.628 582 HA ALA 80 HA ALA 80 2.703 9.579 -3.558 583 HB1 ALA 80 3HB ALA 80 4.674 9.890 -1.927 584 HB2 ALA 80 1HB ALA 80 5.362 10.908 -3.192 585 HB3 ALA 80 2HB ALA 80 3.802 11.321 -2.479 586 H ILE 81 H ILE 81 1.833 10.506 -5.281 587 HA ILE 81 HA ILE 81 3.473 11.049 -7.625 588 HB ILE 81 HB ILE 81 0.502 11.483 -7.397 589 HG12 ILE 81 1HG1 ILE 81 1.176 9.156 -6.697 590 HG13 ILE 81 2HG1 ILE 81 0.118 9.228 -8.102 591 HG21 ILE 81 1HG2 ILE 81 2.501 11.411 -9.574 592 HG22 ILE 81 2HG2 ILE 81 0.928 10.688 -9.912 593 HG23 ILE 81 3HG2 ILE 81 1.034 12.376 -9.410 594 HD11 ILE 81 3HD1 ILE 81 3.029 8.565 -7.970 595 HD12 ILE 81 1HD1 ILE 81 1.704 7.643 -8.680 596 HD13 ILE 81 2HD1 ILE 81 2.284 9.108 -9.474 597 H TYR 82 H TYR 82 3.999 13.025 -8.363 598 HA TYR 82 HA TYR 82 2.816 15.364 -7.023 599 HB2 TYR 82 1HB TYR 82 5.731 15.007 -7.748 600 HB3 TYR 82 2HB TYR 82 5.017 16.457 -7.051 601 HD1 TYR 82 1HD TYR 82 4.179 16.418 -4.714 602 HD2 TYR 82 2HD TYR 82 6.300 13.132 -6.389 603 HE1 TYR 82 1HE TYR 82 4.591 15.541 -2.454 604 HE2 TYR 82 2HE TYR 82 6.717 12.245 -4.133 605 HH TYR 82 HH TYR 82 6.559 12.637 -1.942 606 H ALA 83 H ALA 83 3.198 17.412 -8.267 607 HA ALA 83 HA ALA 83 2.066 17.344 -10.760 608 HB1 ALA 83 3HB ALA 83 3.956 19.524 -10.603 609 HB2 ALA 83 1HB ALA 83 2.192 19.557 -10.589 610 HB3 ALA 83 2HB ALA 83 3.082 19.316 -9.085 611 H ALA 84 H ALA 84 5.550 17.538 -10.042 612 HA ALA 84 HA ALA 84 6.341 17.391 -12.774 613 HB1 ALA 84 3HB ALA 84 7.891 16.951 -10.227 614 HB2 ALA 84 1HB ALA 84 8.611 16.996 -11.837 615 HB3 ALA 84 2HB ALA 84 7.810 18.427 -11.188 616 H GLY 85 H GLY 85 6.399 15.019 -10.111 617 HA2 GLY 85 1HA GLY 85 5.746 12.858 -11.852 618 HA3 GLY 85 2HA GLY 85 7.458 12.854 -11.459 619 H ARG 86 H ARG 86 6.750 10.703 -10.570 620 HA ARG 86 HA ARG 86 5.715 11.023 -7.829 621 HB2 ARG 86 1HB ARG 86 5.034 8.642 -7.977 622 HB3 ARG 86 2HB ARG 86 4.220 9.663 -9.154 623 HG2 ARG 86 1HG ARG 86 5.358 8.750 -10.937 624 HG3 ARG 86 2HG ARG 86 6.700 8.200 -9.932 625 HD2 ARG 86 1HD ARG 86 4.857 6.697 -8.834 626 HD3 ARG 86 2HD ARG 86 4.014 6.974 -10.357 627 HE ARG 86 HE ARG 86 6.616 6.179 -10.958 628 HH11 ARG 86 1HH1 ARG 86 3.750 4.875 -9.475 629 HH12 ARG 86 2HH1 ARG 86 4.098 3.241 -9.933 630 HH21 ARG 86 1HH2 ARG 86 7.087 4.032 -11.566 631 HH22 ARG 86 2HH2 ARG 86 5.997 2.762 -11.122 632 H SER 87 H SER 87 6.871 10.217 -6.144 633 HA SER 87 HA SER 87 9.643 9.781 -6.497 634 HB2 SER 87 1HB SER 87 9.712 9.401 -4.098 635 HB3 SER 87 2HB SER 87 8.628 10.749 -4.439 636 HG SER 87 HG SER 87 7.505 8.204 -4.333 637 H GLU 88 H GLU 88 10.648 7.796 -5.241 638 HA GLU 88 HA GLU 88 10.279 5.540 -6.822 639 HB2 GLU 88 1HB GLU 88 11.784 4.419 -5.379 640 HB3 GLU 88 2HB GLU 88 12.273 6.107 -5.363 641 HG2 GLU 88 1HG GLU 88 10.806 6.284 -3.255 642 HG3 GLU 88 2HG GLU 88 10.904 4.524 -3.229 643 H ALA 89 H ALA 89 9.969 3.293 -5.486 644 HA ALA 89 HA ALA 89 7.306 3.493 -4.236 645 HB1 ALA 89 3HB ALA 89 6.716 1.380 -5.250 646 HB2 ALA 89 1HB ALA 89 7.239 2.512 -6.498 647 HB3 ALA 89 2HB ALA 89 8.327 1.234 -5.953 648 H VAL 90 H VAL 90 7.239 2.840 -2.197 649 HA VAL 90 HA VAL 90 9.436 1.232 -1.134 650 HB VAL 90 HB VAL 90 8.366 1.770 1.095 651 HG11 VAL 90 1HG1 VAL 90 10.302 2.990 0.099 652 HG12 VAL 90 2HG1 VAL 90 9.161 4.177 -0.536 653 HG13 VAL 90 3HG1 VAL 90 9.328 3.957 1.206 654 HG21 VAL 90 3HG2 VAL 90 6.967 4.104 0.194 655 HG22 VAL 90 1HG2 VAL 90 6.281 2.665 -0.563 656 HG23 VAL 90 2HG2 VAL 90 6.385 2.773 1.195 657 H SER 91 H SER 91 9.228 -0.874 -0.798 658 HA SER 91 HA SER 91 6.605 -2.111 -1.029 659 HB2 SER 91 1HB SER 91 7.701 -4.079 -1.549 660 HB3 SER 91 2HB SER 91 8.892 -2.899 -2.097 661 HG SER 91 HG SER 91 9.933 -3.159 -0.055 662 H ALA 92 H ALA 92 5.952 -3.809 0.490 663 HA ALA 92 HA ALA 92 7.129 -4.029 3.064 664 HB1 ALA 92 3HB ALA 92 6.319 -2.154 3.973 665 HB2 ALA 92 1HB ALA 92 5.175 -1.900 2.653 666 HB3 ALA 92 2HB ALA 92 4.766 -2.990 3.979 667 H THR 93 H THR 93 6.683 -6.052 3.602 668 HA THR 93 HA THR 93 4.244 -7.308 2.585 669 HB THR 93 HB THR 93 5.358 -9.429 3.482 670 HG1 THR 93 1HG THR 93 7.404 -9.295 4.166 671 HG21 THR 93 3HG2 THR 93 7.036 -8.090 1.390 672 HG22 THR 93 1HG2 THR 93 5.350 -8.492 1.067 673 HG23 THR 93 2HG2 THR 93 6.498 -9.766 1.479 674 H GLY 94 H GLY 94 2.565 -7.800 3.853 675 HA2 GLY 94 1HA GLY 94 2.991 -7.845 6.772 676 HA3 GLY 94 2HA GLY 94 1.664 -6.932 6.070 677 H GLN 95 H GLN 95 2.902 -10.112 6.790 678 HA GLN 95 HA GLN 95 1.224 -11.844 5.585 679 HB2 GLN 95 1HB GLN 95 2.955 -12.491 7.222 680 HB3 GLN 95 2HB GLN 95 1.923 -11.917 8.525 681 HG2 GLN 95 1HG GLN 95 0.321 -13.622 8.121 682 HG3 GLN 95 2HG GLN 95 1.113 -14.092 6.618 683 HE21 GLN 95 1HE2 GLN 95 1.202 -16.231 7.445 684 HE22 GLN 95 2HE2 GLN 95 2.417 -16.685 8.586 685 H THR 96 H THR 96 -0.882 -12.387 5.596 686 HA THR 96 HA THR 96 -2.738 -10.615 6.899 687 HB THR 96 HB THR 96 -4.470 -12.138 5.820 688 HG1 THR 96 1HG THR 96 -3.549 -13.497 4.144 689 HG21 THR 96 3HG2 THR 96 -3.252 -11.432 3.429 690 HG22 THR 96 1HG2 THR 96 -2.602 -10.282 4.597 691 HG23 THR 96 2HG2 THR 96 -4.347 -10.430 4.382 692 H ALA 97 H ALA 97 -4.857 -11.996 7.665 693 HA ALA 97 HA ALA 97 -3.937 -13.330 10.074 694 HB1 ALA 97 3HB ALA 97 -5.857 -11.565 9.820 695 HB2 ALA 97 1HB ALA 97 -6.826 -12.987 9.430 696 HB3 ALA 97 2HB ALA 97 -5.996 -12.883 10.983 697 H CYS 98 H CYS 98 -4.747 -15.384 10.768 698 HA CYS 98 HA CYS 98 -5.326 -17.181 8.512 699 HB2 CYS 98 1HB CYS 98 -4.313 -18.956 9.784 700 HB3 CYS 98 2HB CYS 98 -3.215 -17.581 9.790 701 HG CYS 98 HG CYS 98 -4.946 -17.095 12.415 702 HA PRO 99 HA PRO 99 -9.328 -18.011 10.139 703 HB2 PRO 99 1HB PRO 99 -9.744 -20.463 9.052 704 HB3 PRO 99 2HB PRO 99 -9.792 -18.972 8.105 705 HG2 PRO 99 1HG PRO 99 -7.575 -20.963 8.392 706 HG3 PRO 99 2HG PRO 99 -8.162 -20.145 6.932 707 HD2 PRO 99 1HD PRO 99 -5.940 -19.345 8.257 708 HD3 PRO 99 2HD PRO 99 -7.000 -18.209 7.398 709 H SER 100 H SER 100 -7.149 -20.839 10.243 710 HA SER 100 HA SER 100 -6.731 -22.385 11.859 711 HB2 SER 100 1HB SER 100 -6.211 -20.265 13.150 712 HB3 SER 100 2HB SER 100 -7.833 -20.378 13.832 713 HG SER 100 HG SER 100 -6.023 -21.377 15.047 714 H GLY 101 H GLY 101 -9.182 -22.577 10.502 715 HA2 GLY 101 1HA GLY 101 -11.053 -23.918 10.616 716 HA3 GLY 101 2HA GLY 101 -10.585 -24.340 12.256 717 HA PRO 102 HA PRO 102 -14.435 -21.667 12.283 718 HB2 PRO 102 1HB PRO 102 -16.001 -23.442 13.613 719 HB3 PRO 102 2HB PRO 102 -15.855 -23.421 11.851 720 HG2 PRO 102 1HG PRO 102 -14.489 -25.189 13.844 721 HG3 PRO 102 2HG PRO 102 -15.218 -25.615 12.284 722 HD2 PRO 102 1HD PRO 102 -12.548 -25.291 12.605 723 HD3 PRO 102 2HD PRO 102 -13.383 -24.898 11.088 724 H SER 103 H SER 103 -13.033 -23.797 14.747 725 HA SER 103 HA SER 103 -14.029 -22.825 17.068 726 HB2 SER 103 1HB SER 103 -11.176 -23.581 16.423 727 HB3 SER 103 2HB SER 103 -11.727 -23.240 18.063 728 HG SER 103 HG SER 103 -12.967 -25.161 16.393 729 H SER 104 H SER 104 -11.459 -21.327 15.144 730 HA SER 104 HA SER 104 -11.813 -18.872 16.738 731 HB2 SER 104 1HB SER 104 -9.537 -20.195 16.790 732 HB3 SER 104 2HB SER 104 -9.276 -19.404 15.236 733 HG SER 104 HG SER 104 -9.996 -17.442 16.593 734 H GLY 105 H GLY 105 -11.688 -16.872 15.623 735 HA2 GLY 105 1HA GLY 105 -11.682 -16.964 12.701 736 HA3 GLY 105 2HA GLY 105 -13.149 -16.392 13.481 Start of MODEL 7 1 H1 GLY 1 H GLY 1 19.797 8.128 -4.125 2 HA2 GLY 1 1HA GLY 1 20.098 9.814 -6.216 3 HA3 GLY 1 2HA GLY 1 18.351 9.739 -6.041 4 H SER 2 H SER 2 21.061 11.412 -5.165 5 HA SER 2 HA SER 2 21.016 12.097 -2.574 6 HB2 SER 2 1HB SER 2 22.509 13.235 -4.068 7 HB3 SER 2 2HB SER 2 21.165 13.974 -4.939 8 HG SER 2 HG SER 2 21.820 14.453 -2.218 9 H SER 3 H SER 3 19.958 13.686 -1.271 10 HA SER 3 HA SER 3 17.175 14.187 -2.101 11 HB2 SER 3 1HB SER 3 17.538 12.572 -0.177 12 HB3 SER 3 2HB SER 3 18.147 13.943 0.750 13 HG SER 3 HG SER 3 15.994 13.798 1.199 14 H GLY 4 H GLY 4 16.719 16.250 -2.455 15 HA2 GLY 4 1HA GLY 4 18.478 18.315 -1.363 16 HA3 GLY 4 2HA GLY 4 17.287 18.532 -2.637 17 H SER 5 H SER 5 17.337 20.433 -0.786 18 HA SER 5 HA SER 5 16.003 20.194 1.589 19 HB2 SER 5 1HB SER 5 15.622 22.459 -0.383 20 HB3 SER 5 2HB SER 5 15.369 22.532 1.361 21 HG SER 5 HG SER 5 17.860 21.643 0.582 22 H SER 6 H SER 6 14.544 20.627 -1.621 23 HA SER 6 HA SER 6 12.017 19.602 -0.509 24 HB2 SER 6 1HB SER 6 10.842 21.103 -2.165 25 HB3 SER 6 2HB SER 6 11.659 21.950 -0.851 26 HG SER 6 HG SER 6 13.484 21.869 -2.591 27 H GLY 7 H GLY 7 10.565 18.676 -2.185 28 HA2 GLY 7 1HA GLY 7 10.856 18.048 -4.724 29 HA3 GLY 7 2HA GLY 7 12.164 17.088 -4.051 30 H ARG 8 H ARG 8 10.602 15.521 -5.273 31 HA ARG 8 HA ARG 8 8.204 14.743 -3.972 32 HB2 ARG 8 1HB ARG 8 9.915 12.993 -5.737 33 HB3 ARG 8 2HB ARG 8 8.183 12.875 -5.460 34 HG2 ARG 8 1HG ARG 8 7.712 14.705 -6.802 35 HG3 ARG 8 2HG ARG 8 9.358 15.332 -6.692 36 HD2 ARG 8 1HD ARG 8 10.014 13.145 -7.908 37 HD3 ARG 8 2HD ARG 8 8.304 13.056 -8.329 38 HE ARG 8 HE ARG 8 8.906 15.531 -9.114 39 HH11 ARG 8 1HH1 ARG 8 10.570 12.512 -9.606 40 HH12 ARG 8 2HH1 ARG 8 11.250 12.986 -11.128 41 HH21 ARG 8 1HH2 ARG 8 9.796 16.166 -11.116 42 HH22 ARG 8 2HH2 ARG 8 10.810 15.064 -11.985 43 H SER 9 H SER 9 8.046 13.826 -2.045 44 HA SER 9 HA SER 9 10.241 12.090 -1.123 45 HB2 SER 9 1HB SER 9 9.594 14.283 0.143 46 HB3 SER 9 2HB SER 9 8.238 13.327 0.741 47 HG SER 9 HG SER 9 10.989 12.665 0.989 48 HA PRO 10 HA PRO 10 7.216 8.840 -1.514 49 HB2 PRO 10 1HB PRO 10 8.843 6.852 -0.638 50 HB3 PRO 10 2HB PRO 10 8.947 7.531 -2.266 51 HG2 PRO 10 1HG PRO 10 10.618 8.126 0.145 52 HG3 PRO 10 2HG PRO 10 11.126 7.888 -1.537 53 HD2 PRO 10 1HD PRO 10 10.870 10.344 -0.426 54 HD3 PRO 10 2HD PRO 10 10.554 10.037 -2.145 55 HA PRO 11 HA PRO 11 5.579 8.349 2.542 56 HB2 PRO 11 1HB PRO 11 4.355 5.937 2.312 57 HB3 PRO 11 2HB PRO 11 3.734 7.406 1.549 58 HG2 PRO 11 1HG PRO 11 5.350 5.188 0.353 59 HG3 PRO 11 2HG PRO 11 3.946 6.037 -0.319 60 HD2 PRO 11 1HD PRO 11 6.486 6.612 -1.058 61 HD3 PRO 11 2HD PRO 11 5.206 7.841 -1.004 62 H SER 12 H SER 12 6.209 7.584 4.490 63 HA SER 12 HA SER 12 7.909 5.184 4.560 64 HB2 SER 12 1HB SER 12 8.443 7.703 6.151 65 HB3 SER 12 2HB SER 12 9.441 6.250 6.100 66 HG SER 12 HG SER 12 9.343 6.845 3.657 67 H ASN 13 H ASN 13 8.308 4.637 7.031 68 HA ASN 13 HA ASN 13 7.416 3.835 8.963 69 HB2 ASN 13 1HB ASN 13 5.694 6.283 8.586 70 HB3 ASN 13 2HB ASN 13 5.529 5.223 9.983 71 HD21 ASN 13 1HD2 ASN 13 6.635 8.062 9.289 72 HD22 ASN 13 2HD2 ASN 13 8.078 8.135 10.237 73 H LEU 14 H LEU 14 6.553 2.714 6.504 74 HA LEU 14 HA LEU 14 3.771 2.359 6.335 75 HB2 LEU 14 1HB LEU 14 6.165 0.950 5.296 76 HB3 LEU 14 2HB LEU 14 4.635 0.075 5.268 77 HG LEU 14 HG LEU 14 5.034 2.777 3.993 78 HD11 LEU 14 1HD1 LEU 14 4.787 0.379 2.303 79 HD12 LEU 14 2HD1 LEU 14 6.322 0.565 3.151 80 HD13 LEU 14 3HD1 LEU 14 5.749 1.840 2.075 81 HD21 LEU 14 3HD2 LEU 14 2.919 0.711 3.444 82 HD22 LEU 14 1HD2 LEU 14 2.952 2.405 2.952 83 HD23 LEU 14 2HD2 LEU 14 2.716 1.984 4.649 84 H ALA 15 H ALA 15 2.388 1.230 7.531 85 HA ALA 15 HA ALA 15 3.432 -0.930 9.238 86 HB1 ALA 15 3HB ALA 15 1.740 1.403 9.994 87 HB2 ALA 15 1HB ALA 15 1.505 -0.134 10.826 88 HB3 ALA 15 2HB ALA 15 3.082 0.654 10.859 89 H LEU 16 H LEU 16 2.639 -2.720 8.314 90 HA LEU 16 HA LEU 16 -0.034 -2.731 7.167 91 HB2 LEU 16 1HB LEU 16 2.343 -4.495 7.062 92 HB3 LEU 16 2HB LEU 16 0.768 -5.259 6.856 93 HG LEU 16 HG LEU 16 0.345 -3.617 4.988 94 HD11 LEU 16 1HD1 LEU 16 3.313 -3.151 5.237 95 HD12 LEU 16 2HD1 LEU 16 2.061 -1.983 5.660 96 HD13 LEU 16 3HD1 LEU 16 2.245 -2.511 3.987 97 HD21 LEU 16 3HD2 LEU 16 1.681 -4.877 3.374 98 HD22 LEU 16 1HD2 LEU 16 0.954 -5.943 4.577 99 HD23 LEU 16 2HD2 LEU 16 2.664 -5.525 4.688 100 H ALA 17 H ALA 17 -1.719 -3.119 8.431 101 HA ALA 17 HA ALA 17 -1.381 -4.961 10.708 102 HB1 ALA 17 3HB ALA 17 -2.466 -2.331 10.583 103 HB2 ALA 17 1HB ALA 17 -3.754 -3.455 11.021 104 HB3 ALA 17 2HB ALA 17 -2.277 -3.385 11.984 105 H SER 18 H SER 18 -2.367 -6.853 10.522 106 HA SER 18 HA SER 18 -4.494 -7.159 8.532 107 HB2 SER 18 1HB SER 18 -2.614 -8.708 8.336 108 HB3 SER 18 2HB SER 18 -2.853 -9.239 10.000 109 HG SER 18 HG SER 18 -5.049 -9.405 8.305 110 H GLU 19 H GLU 19 -6.520 -7.060 9.212 111 HA GLU 19 HA GLU 19 -7.127 -7.899 11.969 112 HB2 GLU 19 1HB GLU 19 -8.782 -6.282 12.103 113 HB3 GLU 19 2HB GLU 19 -7.559 -5.469 11.136 114 HG2 GLU 19 1HG GLU 19 -8.773 -5.861 9.128 115 HG3 GLU 19 2HG GLU 19 -9.908 -6.926 9.957 116 H THR 20 H THR 20 -7.854 -8.361 8.613 117 HA THR 20 HA THR 20 -9.518 -10.659 9.307 118 HB THR 20 HB THR 20 -11.286 -9.189 8.940 119 HG1 THR 20 1HG THR 20 -12.171 -10.306 7.374 120 HG21 THR 20 3HG2 THR 20 -11.334 -7.371 7.482 121 HG22 THR 20 1HG2 THR 20 -10.080 -8.045 6.443 122 HG23 THR 20 2HG2 THR 20 -9.658 -7.395 8.027 123 HA PRO 21 HA PRO 21 -7.192 -12.560 6.089 124 HB2 PRO 21 1HB PRO 21 -8.849 -14.632 5.516 125 HB3 PRO 21 2HB PRO 21 -7.870 -14.564 6.986 126 HG2 PRO 21 1HG PRO 21 -10.765 -13.904 6.607 127 HG3 PRO 21 2HG PRO 21 -9.985 -14.806 7.920 128 HD2 PRO 21 1HD PRO 21 -10.708 -12.208 8.166 129 HD3 PRO 21 2HD PRO 21 -9.293 -12.888 8.996 130 H ASP 22 H ASP 22 -9.928 -10.806 5.579 131 HA ASP 22 HA ASP 22 -9.910 -11.355 2.683 132 HB2 ASP 22 1HB ASP 22 -12.235 -9.988 3.960 133 HB3 ASP 22 2HB ASP 22 -12.189 -11.044 2.550 134 H SER 23 H SER 23 -8.847 -9.245 4.931 135 HA SER 23 HA SER 23 -8.466 -7.151 2.994 136 HB2 SER 23 1HB SER 23 -9.834 -6.289 5.527 137 HB3 SER 23 2HB SER 23 -9.680 -5.422 3.999 138 HG SER 23 HG SER 23 -11.274 -6.612 3.141 139 H LEU 24 H LEU 24 -6.788 -5.760 3.530 140 HA LEU 24 HA LEU 24 -5.438 -6.268 6.094 141 HB2 LEU 24 1HB LEU 24 -4.371 -7.492 4.199 142 HB3 LEU 24 2HB LEU 24 -4.044 -5.934 3.444 143 HG LEU 24 HG LEU 24 -2.769 -5.417 5.645 144 HD11 LEU 24 1HD1 LEU 24 -3.470 -8.232 5.967 145 HD12 LEU 24 2HD1 LEU 24 -2.934 -7.050 7.160 146 HD13 LEU 24 3HD1 LEU 24 -1.750 -7.899 6.167 147 HD21 LEU 24 3HD2 LEU 24 -1.003 -5.619 4.314 148 HD22 LEU 24 1HD2 LEU 24 -2.039 -6.446 3.150 149 HD23 LEU 24 2HD2 LEU 24 -1.123 -7.379 4.334 150 H GLN 25 H GLN 25 -5.224 -4.454 7.210 151 HA GLN 25 HA GLN 25 -5.626 -1.888 5.983 152 HB2 GLN 25 1HB GLN 25 -6.254 -2.739 8.395 153 HB3 GLN 25 2HB GLN 25 -4.628 -2.194 8.784 154 HG2 GLN 25 1HG GLN 25 -6.041 -0.399 9.300 155 HG3 GLN 25 2HG GLN 25 -5.269 0.029 7.774 156 HE21 GLN 25 1HE2 GLN 25 -8.052 -2.005 8.617 157 HE22 GLN 25 2HE2 GLN 25 -9.173 -1.198 7.580 158 H VAL 26 H VAL 26 -4.152 -0.341 5.510 159 HA VAL 26 HA VAL 26 -1.359 -0.754 6.289 160 HB VAL 26 HB VAL 26 -1.391 -1.755 4.123 161 HG11 VAL 26 1HG1 VAL 26 -2.571 0.731 2.924 162 HG12 VAL 26 2HG1 VAL 26 -2.407 -0.872 2.206 163 HG13 VAL 26 3HG1 VAL 26 -3.582 -0.597 3.493 164 HG21 VAL 26 3HG2 VAL 26 -0.403 1.060 3.701 165 HG22 VAL 26 1HG2 VAL 26 0.451 -0.139 4.674 166 HG23 VAL 26 2HG2 VAL 26 0.197 -0.420 2.952 167 H SER 27 H SER 27 -0.508 1.065 7.044 168 HA SER 27 HA SER 27 -1.590 3.634 6.093 169 HB2 SER 27 1HB SER 27 -1.201 4.498 8.434 170 HB3 SER 27 2HB SER 27 -2.507 3.321 8.288 171 HG SER 27 HG SER 27 -1.325 1.849 9.321 172 H TRP 28 H TRP 28 -0.111 5.472 6.439 173 HA TRP 28 HA TRP 28 2.678 4.901 6.890 174 HB2 TRP 28 1HB TRP 28 3.381 5.764 4.643 175 HB3 TRP 28 2HB TRP 28 2.577 4.197 4.595 176 HD1 TRP 28 HD TRP 28 2.041 7.867 3.631 177 HE1 TRP 28 1HE TRP 28 0.093 7.997 1.955 178 HE3 TRP 28 3HE TRP 28 0.464 3.008 3.840 179 HZ2 TRP 28 2HZ TRP 28 -1.855 6.269 0.865 180 HZ3 TRP 28 3HZ TRP 28 -1.449 2.328 2.450 181 HH2 TRP 28 HH TRP 28 -2.584 3.927 0.995 182 H THR 29 H THR 29 4.017 6.947 6.459 183 HA THR 29 HA THR 29 2.542 9.188 7.609 184 HB THR 29 HB THR 29 5.513 8.760 7.246 185 HG1 THR 29 1HG THR 29 4.351 9.025 9.759 186 HG21 THR 29 3HG2 THR 29 5.339 10.741 9.052 187 HG22 THR 29 1HG2 THR 29 3.925 11.117 8.069 188 HG23 THR 29 2HG2 THR 29 5.521 11.029 7.322 189 HA PRO 30 HA PRO 30 2.375 10.969 3.499 190 HB2 PRO 30 1HB PRO 30 0.866 13.107 4.224 191 HB3 PRO 30 2HB PRO 30 0.187 11.496 3.966 192 HG2 PRO 30 1HG PRO 30 0.923 12.851 6.531 193 HG3 PRO 30 2HG PRO 30 -0.513 11.885 6.148 194 HD2 PRO 30 1HD PRO 30 1.593 10.881 7.522 195 HD3 PRO 30 2HD PRO 30 0.598 9.887 6.439 196 HA PRO 31 HA PRO 31 5.737 13.834 3.899 197 HB2 PRO 31 1HB PRO 31 5.719 14.745 1.342 198 HB3 PRO 31 2HB PRO 31 6.352 13.157 1.792 199 HG2 PRO 31 1HG PRO 31 3.684 13.876 0.640 200 HG3 PRO 31 2HG PRO 31 4.757 12.528 0.221 201 HD2 PRO 31 1HD PRO 31 2.593 12.225 1.820 202 HD3 PRO 31 2HD PRO 31 4.068 11.257 2.016 203 H LEU 32 H LEU 32 6.114 16.198 2.928 204 HA LEU 32 HA LEU 32 3.868 17.783 3.921 205 HB2 LEU 32 1HB LEU 32 6.245 18.052 4.765 206 HB3 LEU 32 2HB LEU 32 6.614 18.773 3.199 207 HG LEU 32 HG LEU 32 6.270 20.488 4.883 208 HD11 LEU 32 1HD1 LEU 32 5.154 21.870 3.495 209 HD12 LEU 32 2HD1 LEU 32 3.784 20.774 3.323 210 HD13 LEU 32 3HD1 LEU 32 5.258 20.495 2.395 211 HD21 LEU 32 3HD2 LEU 32 4.202 18.776 5.755 212 HD22 LEU 32 1HD2 LEU 32 3.451 20.295 5.267 213 HD23 LEU 32 2HD2 LEU 32 4.737 20.296 6.473 214 H GLY 33 H GLY 33 5.983 17.501 1.092 215 HA2 GLY 33 1HA GLY 33 5.047 19.634 -0.413 216 HA3 GLY 33 2HA GLY 33 5.665 18.136 -1.091 217 H ARG 34 H ARG 34 3.319 20.039 -1.679 218 HA ARG 34 HA ARG 34 0.892 18.761 -1.233 219 HB2 ARG 34 1HB ARG 34 1.391 21.077 -2.270 220 HB3 ARG 34 2HB ARG 34 1.485 20.212 -3.798 221 HG2 ARG 34 1HG ARG 34 -0.908 19.753 -2.112 222 HG3 ARG 34 2HG ARG 34 -0.759 21.312 -2.925 223 HD2 ARG 34 1HD ARG 34 -0.621 18.608 -4.254 224 HD3 ARG 34 2HD ARG 34 -2.010 19.694 -4.276 225 HE ARG 34 HE ARG 34 0.460 20.803 -5.303 226 HH11 ARG 34 1HH1 ARG 34 -2.534 19.177 -6.018 227 HH12 ARG 34 2HH1 ARG 34 -2.546 19.653 -7.684 228 HH21 ARG 34 1HH2 ARG 34 0.456 21.436 -7.495 229 HH22 ARG 34 2HH2 ARG 34 -0.844 20.938 -8.523 230 H VAL 35 H VAL 35 0.688 16.621 -1.578 231 HA VAL 35 HA VAL 35 1.589 15.503 -4.136 232 HB VAL 35 HB VAL 35 2.416 14.140 -2.443 233 HG11 VAL 35 1HG1 VAL 35 0.919 13.320 -0.560 234 HG12 VAL 35 2HG1 VAL 35 1.391 15.020 -0.513 235 HG13 VAL 35 3HG1 VAL 35 -0.222 14.566 -1.065 236 HG21 VAL 35 3HG2 VAL 35 1.126 12.899 -4.182 237 HG22 VAL 35 1HG2 VAL 35 1.276 12.043 -2.647 238 HG23 VAL 35 2HG2 VAL 35 -0.237 12.847 -3.064 239 H LEU 36 H LEU 36 0.176 15.098 -5.699 240 HA LEU 36 HA LEU 36 -2.523 15.732 -5.587 241 HB2 LEU 36 1HB LEU 36 -1.217 13.737 -7.430 242 HB3 LEU 36 2HB LEU 36 -2.746 14.571 -7.705 243 HG LEU 36 HG LEU 36 -0.136 16.044 -7.452 244 HD11 LEU 36 1HD1 LEU 36 -0.767 14.232 -9.480 245 HD12 LEU 36 2HD1 LEU 36 0.492 15.467 -9.500 246 HD13 LEU 36 3HD1 LEU 36 -1.107 15.828 -10.151 247 HD21 LEU 36 3HD2 LEU 36 -1.299 17.890 -7.995 248 HD22 LEU 36 1HD2 LEU 36 -2.678 16.968 -7.397 249 HD23 LEU 36 2HD2 LEU 36 -2.342 17.029 -9.128 250 H HIS 37 H HIS 37 -1.233 12.418 -5.887 251 HA HIS 37 HA HIS 37 -3.196 11.479 -3.950 252 HB2 HIS 37 1HB HIS 37 -3.963 9.672 -5.477 253 HB3 HIS 37 2HB HIS 37 -4.420 11.281 -6.030 254 HD1 HIS 37 1HD HIS 37 -2.583 8.266 -7.035 255 HD2 HIS 37 2HD HIS 37 -2.867 12.222 -8.272 256 HE1 HIS 37 1HE HIS 37 -1.578 8.324 -9.340 257 HE2 HIS 37 2HE HIS 37 -1.684 10.743 -10.033 258 H TYR 38 H TYR 38 -2.909 8.954 -3.764 259 HA TYR 38 HA TYR 38 -0.010 8.426 -3.719 260 HB2 TYR 38 1HB TYR 38 -2.143 7.486 -1.792 261 HB3 TYR 38 2HB TYR 38 -0.458 6.979 -1.747 262 HD1 TYR 38 2HD TYR 38 1.163 9.234 -1.951 263 HD2 TYR 38 1HD TYR 38 -2.678 8.990 -0.139 264 HE1 TYR 38 2HE TYR 38 1.713 11.172 -0.540 265 HE2 TYR 38 1HE TYR 38 -2.140 10.928 1.277 266 HH TYR 38 HH TYR 38 0.541 11.950 2.054 267 H TRP 39 H TRP 39 0.320 7.194 -5.485 268 HA TRP 39 HA TRP 39 -1.538 5.255 -6.433 269 HB2 TRP 39 1HB TRP 39 0.219 6.486 -7.803 270 HB3 TRP 39 2HB TRP 39 1.400 5.376 -7.113 271 HD1 TRP 39 HD TRP 39 1.962 3.571 -8.823 272 HE1 TRP 39 1HE TRP 39 0.652 2.174 -10.543 273 HE3 TRP 39 3HE TRP 39 -2.684 5.590 -8.138 274 HZ2 TRP 39 2HZ TRP 39 -2.000 1.958 -11.485 275 HZ3 TRP 39 3HZ TRP 39 -4.554 4.733 -9.489 276 HH2 TRP 39 HH TRP 39 -4.217 2.954 -11.127 277 H LEU 40 H LEU 40 -2.009 3.587 -5.119 278 HA LEU 40 HA LEU 40 0.163 2.194 -3.738 279 HB2 LEU 40 1HB LEU 40 -2.170 2.942 -2.753 280 HB3 LEU 40 2HB LEU 40 -2.694 1.410 -3.449 281 HG LEU 40 HG LEU 40 -0.311 1.407 -1.664 282 HD11 LEU 40 1HD1 LEU 40 -2.216 0.939 0.146 283 HD12 LEU 40 2HD1 LEU 40 -3.060 2.125 -0.849 284 HD13 LEU 40 3HD1 LEU 40 -1.511 2.535 -0.113 285 HD21 LEU 40 3HD2 LEU 40 -2.481 -0.569 -1.439 286 HD22 LEU 40 1HD2 LEU 40 -0.734 -0.799 -1.506 287 HD23 LEU 40 2HD2 LEU 40 -1.645 -0.530 -2.992 288 H THR 41 H THR 41 0.820 0.187 -4.258 289 HA THR 41 HA THR 41 -0.750 -1.347 -6.210 290 HB THR 41 HB THR 41 1.488 -2.045 -7.239 291 HG1 THR 41 1HG THR 41 2.334 0.422 -6.093 292 HG21 THR 41 3HG2 THR 41 -0.274 0.045 -7.820 293 HG22 THR 41 1HG2 THR 41 0.883 -0.705 -8.918 294 HG23 THR 41 2HG2 THR 41 1.338 0.734 -8.006 295 H TYR 42 H TYR 42 -1.407 -2.755 -4.572 296 HA TYR 42 HA TYR 42 0.591 -4.119 -2.972 297 HB2 TYR 42 1HB TYR 42 -1.260 -5.153 -1.838 298 HB3 TYR 42 2HB TYR 42 -1.635 -3.446 -2.046 299 HD1 TYR 42 1HD TYR 42 -3.200 -2.778 -3.926 300 HD2 TYR 42 2HD TYR 42 -2.695 -6.815 -2.682 301 HE1 TYR 42 1HE TYR 42 -5.324 -3.373 -5.014 302 HE2 TYR 42 2HE TYR 42 -4.817 -7.422 -3.767 303 HH TYR 42 HH TYR 42 -7.115 -5.369 -4.584 304 H ALA 43 H ALA 43 1.153 -6.264 -3.123 305 HA ALA 43 HA ALA 43 -0.089 -7.982 -5.092 306 HB1 ALA 43 3HB ALA 43 2.727 -6.980 -5.431 307 HB2 ALA 43 1HB ALA 43 2.125 -8.443 -6.211 308 HB3 ALA 43 2HB ALA 43 1.390 -6.882 -6.576 309 HA PRO 44 HA PRO 44 1.136 -11.126 -2.283 310 HB2 PRO 44 1HB PRO 44 1.406 -13.251 -3.951 311 HB3 PRO 44 2HB PRO 44 -0.164 -12.567 -3.513 312 HG2 PRO 44 1HG PRO 44 1.468 -12.137 -5.986 313 HG3 PRO 44 2HG PRO 44 -0.279 -12.398 -5.830 314 HD2 PRO 44 1HD PRO 44 0.800 -9.941 -6.193 315 HD3 PRO 44 2HD PRO 44 -0.683 -10.204 -5.252 316 H ALA 45 H ALA 45 3.174 -10.391 -1.598 317 HA ALA 45 HA ALA 45 5.566 -10.223 -2.755 318 HB1 ALA 45 3HB ALA 45 5.962 -9.861 -0.587 319 HB2 ALA 45 1HB ALA 45 4.688 -10.970 -0.079 320 HB3 ALA 45 2HB ALA 45 6.289 -11.591 -0.485 321 H SER 46 H SER 46 3.952 -13.259 -1.999 322 HA SER 46 HA SER 46 5.809 -15.172 -2.239 323 HB2 SER 46 1HB SER 46 3.235 -15.395 -2.193 324 HB3 SER 46 2HB SER 46 3.341 -15.378 -3.953 325 HG SER 46 HG SER 46 3.722 -17.424 -2.327 326 H GLY 47 H GLY 47 4.339 -13.546 -5.051 327 HA2 GLY 47 1HA GLY 47 5.766 -12.827 -6.877 328 HA3 GLY 47 2HA GLY 47 6.770 -14.237 -6.574 329 H LEU 48 H LEU 48 4.226 -15.848 -6.208 330 HA LEU 48 HA LEU 48 3.948 -16.547 -9.009 331 HB2 LEU 48 1HB LEU 48 2.582 -17.847 -6.668 332 HB3 LEU 48 2HB LEU 48 2.884 -18.531 -8.264 333 HG LEU 48 HG LEU 48 5.162 -17.798 -6.461 334 HD11 LEU 48 1HD1 LEU 48 3.193 -19.893 -6.029 335 HD12 LEU 48 2HD1 LEU 48 4.457 -19.286 -4.960 336 HD13 LEU 48 3HD1 LEU 48 4.838 -20.513 -6.168 337 HD21 LEU 48 3HD2 LEU 48 6.027 -18.334 -8.512 338 HD22 LEU 48 1HD2 LEU 48 4.723 -19.460 -8.891 339 HD23 LEU 48 2HD2 LEU 48 5.992 -19.929 -7.759 340 H GLY 49 H GLY 49 2.878 -14.080 -8.637 341 HA2 GLY 49 1HA GLY 49 0.209 -14.445 -9.551 342 HA3 GLY 49 2HA GLY 49 0.219 -13.854 -7.896 343 HA PRO 50 HA PRO 50 0.928 -10.445 -11.198 344 HB2 PRO 50 1HB PRO 50 -1.620 -9.571 -11.537 345 HB3 PRO 50 2HB PRO 50 -0.887 -10.816 -12.557 346 HG2 PRO 50 1HG PRO 50 -2.736 -11.125 -10.222 347 HG3 PRO 50 2HG PRO 50 -2.750 -11.972 -11.780 348 HD2 PRO 50 1HD PRO 50 -1.731 -13.080 -9.530 349 HD3 PRO 50 2HD PRO 50 -1.084 -13.432 -11.145 350 H GLU 51 H GLU 51 0.505 -8.127 -10.844 351 HA GLU 51 HA GLU 51 0.058 -7.581 -7.990 352 HB2 GLU 51 1HB GLU 51 1.484 -5.695 -8.195 353 HB3 GLU 51 2HB GLU 51 2.291 -7.014 -9.031 354 HG2 GLU 51 1HG GLU 51 0.552 -5.207 -10.618 355 HG3 GLU 51 2HG GLU 51 2.117 -4.602 -10.075 356 H LYS 52 H LYS 52 -1.190 -5.792 -7.349 357 HA LYS 52 HA LYS 52 -3.107 -4.886 -9.393 358 HB2 LYS 52 1HB LYS 52 -3.445 -5.189 -6.404 359 HB3 LYS 52 2HB LYS 52 -4.652 -4.485 -7.473 360 HG2 LYS 52 1HG LYS 52 -3.593 -7.280 -7.797 361 HG3 LYS 52 2HG LYS 52 -5.024 -6.882 -6.843 362 HD2 LYS 52 1HD LYS 52 -6.251 -6.261 -8.705 363 HD3 LYS 52 2HD LYS 52 -4.811 -5.938 -9.672 364 HE2 LYS 52 1HE LYS 52 -4.423 -8.212 -10.060 365 HE3 LYS 52 2HE LYS 52 -5.470 -8.709 -8.731 366 HZ1 LYS 52 3HZ LYS 52 -6.575 -7.265 -11.053 367 HZ2 LYS 52 1HZ LYS 52 -7.367 -8.284 -9.959 368 HZ3 LYS 52 2HZ LYS 52 -6.327 -8.937 -11.121 369 H SER 53 H SER 53 -4.216 -2.735 -8.559 370 HA SER 53 HA SER 53 -2.367 -0.901 -7.298 371 HB2 SER 53 1HB SER 53 -3.209 -0.479 -10.176 372 HB3 SER 53 2HB SER 53 -2.287 0.659 -9.194 373 HG SER 53 HG SER 53 -1.497 -1.900 -10.111 374 H VAL 54 H VAL 54 -3.598 0.196 -5.935 375 HA VAL 54 HA VAL 54 -6.315 0.961 -6.790 376 HB VAL 54 HB VAL 54 -6.995 0.893 -4.433 377 HG11 VAL 54 1HG1 VAL 54 -6.115 -1.441 -5.962 378 HG12 VAL 54 2HG1 VAL 54 -6.317 -1.744 -4.235 379 HG13 VAL 54 3HG1 VAL 54 -7.662 -1.110 -5.184 380 HG21 VAL 54 3HG2 VAL 54 -4.242 -0.235 -3.928 381 HG22 VAL 54 1HG2 VAL 54 -4.816 1.355 -3.423 382 HG23 VAL 54 2HG2 VAL 54 -5.541 -0.102 -2.742 383 H SER 55 H SER 55 -6.837 3.061 -6.707 384 HA SER 55 HA SER 55 -4.790 4.976 -6.061 385 HB2 SER 55 1HB SER 55 -6.635 5.052 -7.939 386 HB3 SER 55 2HB SER 55 -7.612 5.777 -6.663 387 HG SER 55 HG SER 55 -5.504 6.823 -8.073 388 H VAL 56 H VAL 56 -4.850 6.558 -4.463 389 HA VAL 56 HA VAL 56 -6.916 6.277 -2.393 390 HB VAL 56 HB VAL 56 -3.944 6.409 -1.866 391 HG11 VAL 56 1HG1 VAL 56 -5.967 5.996 0.279 392 HG12 VAL 56 2HG1 VAL 56 -4.354 6.706 0.368 393 HG13 VAL 56 3HG1 VAL 56 -5.689 7.631 -0.319 394 HG21 VAL 56 3HG2 VAL 56 -5.444 4.205 -2.478 395 HG22 VAL 56 1HG2 VAL 56 -3.950 4.192 -1.541 396 HG23 VAL 56 2HG2 VAL 56 -5.508 4.221 -0.715 397 HA PRO 57 HA PRO 57 -7.036 10.678 -2.729 398 HB2 PRO 57 1HB PRO 57 -8.435 11.188 -0.459 399 HB3 PRO 57 2HB PRO 57 -9.179 10.520 -1.916 400 HG2 PRO 57 1HG PRO 57 -8.275 9.111 0.565 401 HG3 PRO 57 2HG PRO 57 -9.760 8.878 -0.376 402 HD2 PRO 57 1HD PRO 57 -7.624 7.229 -0.595 403 HD3 PRO 57 2HD PRO 57 -8.703 7.580 -1.960 404 H GLY 58 H GLY 58 -5.176 11.755 -2.408 405 HA2 GLY 58 1HA GLY 58 -3.221 11.502 -0.594 406 HA3 GLY 58 2HA GLY 58 -3.704 13.082 -1.194 407 H ALA 59 H ALA 59 -6.225 13.285 0.004 408 HA ALA 59 HA ALA 59 -5.843 14.556 2.323 409 HB1 ALA 59 3HB ALA 59 -8.136 14.054 2.959 410 HB2 ALA 59 1HB ALA 59 -8.024 14.361 1.226 411 HB3 ALA 59 2HB ALA 59 -8.172 12.707 1.821 412 H ARG 60 H ARG 60 -6.321 11.043 2.076 413 HA ARG 60 HA ARG 60 -5.500 10.784 4.886 414 HB2 ARG 60 1HB ARG 60 -6.479 8.549 4.810 415 HB3 ARG 60 2HB ARG 60 -7.653 9.758 4.307 416 HG2 ARG 60 1HG ARG 60 -6.783 9.139 1.908 417 HG3 ARG 60 2HG ARG 60 -6.303 7.644 2.713 418 HD2 ARG 60 1HD ARG 60 -8.534 7.461 1.722 419 HD3 ARG 60 2HD ARG 60 -8.587 7.303 3.477 420 HE ARG 60 HE ARG 60 -9.071 9.970 2.473 421 HH11 ARG 60 1HH1 ARG 60 -10.464 6.927 3.433 422 HH12 ARG 60 2HH1 ARG 60 -12.031 7.594 3.748 423 HH21 ARG 60 1HH2 ARG 60 -11.130 10.861 2.884 424 HH22 ARG 60 2HH2 ARG 60 -12.410 9.832 3.434 425 H SER 61 H SER 61 -3.988 9.118 5.466 426 HA SER 61 HA SER 61 -2.084 8.522 3.298 427 HB2 SER 61 1HB SER 61 -0.377 8.385 5.159 428 HB3 SER 61 2HB SER 61 -1.044 9.993 4.876 429 HG SER 61 HG SER 61 -1.327 9.847 6.981 430 H HIS 62 H HIS 62 -4.373 6.899 3.966 431 HA HIS 62 HA HIS 62 -3.038 4.373 4.226 432 HB2 HIS 62 1HB HIS 62 -4.178 3.579 6.203 433 HB3 HIS 62 2HB HIS 62 -3.308 5.056 6.607 434 HD1 HIS 62 1HD HIS 62 -4.676 6.247 8.283 435 HD2 HIS 62 2HD HIS 62 -7.009 4.655 5.236 436 HE1 HIS 62 1HE HIS 62 -7.023 7.015 8.761 437 HE2 HIS 62 2HE HIS 62 -8.429 5.969 6.953 438 H VAL 63 H VAL 63 -4.635 2.537 4.088 439 HA VAL 63 HA VAL 63 -7.303 3.031 3.249 440 HB VAL 63 HB VAL 63 -5.877 3.805 1.252 441 HG11 VAL 63 1HG1 VAL 63 -4.395 1.743 1.433 442 HG12 VAL 63 2HG1 VAL 63 -5.722 0.860 0.678 443 HG13 VAL 63 3HG1 VAL 63 -4.946 2.191 -0.181 444 HG21 VAL 63 3HG2 VAL 63 -7.521 3.041 -0.308 445 HG22 VAL 63 1HG2 VAL 63 -7.930 1.666 0.717 446 HG23 VAL 63 2HG2 VAL 63 -8.327 3.303 1.239 447 H THR 64 H THR 64 -8.413 1.064 2.579 448 HA THR 64 HA THR 64 -7.083 -1.325 3.666 449 HB THR 64 HB THR 64 -10.051 -1.073 3.242 450 HG1 THR 64 1HG THR 64 -10.021 -0.485 5.563 451 HG21 THR 64 3HG2 THR 64 -8.756 -3.265 3.789 452 HG22 THR 64 1HG2 THR 64 -10.235 -2.889 4.673 453 HG23 THR 64 2HG2 THR 64 -8.664 -2.592 5.416 454 H LEU 65 H LEU 65 -6.716 -3.044 2.405 455 HA LEU 65 HA LEU 65 -7.681 -2.937 -0.363 456 HB2 LEU 65 1HB LEU 65 -5.460 -4.571 0.856 457 HB3 LEU 65 2HB LEU 65 -5.893 -4.536 -0.852 458 HG LEU 65 HG LEU 65 -5.003 -2.062 0.603 459 HD11 LEU 65 1HD1 LEU 65 -2.747 -2.501 -0.292 460 HD12 LEU 65 2HD1 LEU 65 -3.278 -4.109 -0.783 461 HD13 LEU 65 3HD1 LEU 65 -3.240 -3.678 0.927 462 HD21 LEU 65 3HD2 LEU 65 -6.100 -1.726 -1.532 463 HD22 LEU 65 1HD2 LEU 65 -5.016 -2.887 -2.299 464 HD23 LEU 65 2HD2 LEU 65 -4.379 -1.366 -1.672 465 HA PRO 66 HA PRO 66 -10.452 -6.185 1.184 466 HB2 PRO 66 1HB PRO 66 -12.241 -5.905 -0.838 467 HB3 PRO 66 2HB PRO 66 -12.225 -4.853 0.583 468 HG2 PRO 66 1HG PRO 66 -11.101 -4.365 -2.149 469 HG3 PRO 66 2HG PRO 66 -12.013 -3.263 -1.101 470 HD2 PRO 66 1HD PRO 66 -9.318 -3.155 -1.332 471 HD3 PRO 66 2HD PRO 66 -10.165 -2.740 0.172 472 H ASP 67 H ASP 67 -11.550 -8.023 -0.135 473 HA ASP 67 HA ASP 67 -11.229 -9.960 -1.290 474 HB2 ASP 67 1HB ASP 67 -10.105 -7.979 -3.277 475 HB3 ASP 67 2HB ASP 67 -10.386 -9.678 -3.646 476 H LEU 68 H LEU 68 -9.420 -9.796 0.640 477 HA LEU 68 HA LEU 68 -6.838 -10.469 -0.604 478 HB2 LEU 68 1HB LEU 68 -7.593 -9.229 1.991 479 HB3 LEU 68 2HB LEU 68 -6.137 -10.221 1.933 480 HG LEU 68 HG LEU 68 -6.685 -7.716 0.345 481 HD11 LEU 68 1HD1 LEU 68 -5.345 -6.604 1.786 482 HD12 LEU 68 2HD1 LEU 68 -4.341 -8.015 2.118 483 HD13 LEU 68 3HD1 LEU 68 -5.911 -7.847 2.902 484 HD21 LEU 68 3HD2 LEU 68 -5.452 -9.100 -1.104 485 HD22 LEU 68 1HD2 LEU 68 -4.444 -9.713 0.207 486 HD23 LEU 68 2HD2 LEU 68 -4.261 -8.047 -0.340 487 H GLN 69 H GLN 69 -5.602 -12.212 0.423 488 HA GLN 69 HA GLN 69 -7.370 -14.429 1.112 489 HB2 GLN 69 1HB GLN 69 -4.429 -14.383 0.414 490 HB3 GLN 69 2HB GLN 69 -5.366 -15.837 0.732 491 HG2 GLN 69 1HG GLN 69 -6.700 -15.497 -1.207 492 HG3 GLN 69 2HG GLN 69 -6.021 -13.890 -1.462 493 HE21 GLN 69 1HE2 GLN 69 -6.079 -16.018 -3.348 494 HE22 GLN 69 2HE2 GLN 69 -4.443 -16.427 -3.721 495 H ALA 70 H ALA 70 -6.147 -16.085 2.655 496 HA ALA 70 HA ALA 70 -5.529 -14.564 5.096 497 HB1 ALA 70 3HB ALA 70 -6.242 -17.449 5.200 498 HB2 ALA 70 1HB ALA 70 -6.592 -16.154 6.345 499 HB3 ALA 70 2HB ALA 70 -7.515 -16.281 4.847 500 H ALA 71 H ALA 71 -3.823 -15.216 6.445 501 HA ALA 71 HA ALA 71 -1.648 -15.797 6.824 502 HB1 ALA 71 3HB ALA 71 -3.157 -18.135 6.361 503 HB2 ALA 71 1HB ALA 71 -1.588 -18.369 5.589 504 HB3 ALA 71 2HB ALA 71 -1.676 -17.961 7.303 505 H THR 72 H THR 72 -1.915 -14.240 4.559 506 HA THR 72 HA THR 72 0.423 -15.078 3.060 507 HB THR 72 HB THR 72 -2.168 -14.479 1.620 508 HG1 THR 72 1HG THR 72 -2.406 -16.561 2.060 509 HG21 THR 72 3HG2 THR 72 -0.916 -14.997 -0.409 510 HG22 THR 72 1HG2 THR 72 0.546 -15.255 0.542 511 HG23 THR 72 2HG2 THR 72 -0.174 -13.647 0.449 512 H LYS 73 H LYS 73 1.649 -13.336 3.424 513 HA LYS 73 HA LYS 73 0.724 -10.727 3.858 514 HB2 LYS 73 1HB LYS 73 2.951 -10.097 3.970 515 HB3 LYS 73 2HB LYS 73 3.045 -11.815 4.334 516 HG2 LYS 73 1HG LYS 73 3.477 -10.673 1.586 517 HG3 LYS 73 2HG LYS 73 4.776 -10.966 2.745 518 HD2 LYS 73 1HD LYS 73 2.860 -13.142 1.970 519 HD3 LYS 73 2HD LYS 73 4.277 -12.776 0.983 520 HE2 LYS 73 1HE LYS 73 5.721 -13.153 2.921 521 HE3 LYS 73 2HE LYS 73 4.306 -13.506 3.911 522 HZ1 LYS 73 3HZ LYS 73 5.380 -15.087 1.649 523 HZ2 LYS 73 1HZ LYS 73 3.829 -15.338 2.277 524 HZ3 LYS 73 2HZ LYS 73 5.186 -15.569 3.259 525 H TYR 74 H TYR 74 1.594 -8.844 2.426 526 HA TYR 74 HA TYR 74 1.373 -9.389 -0.423 527 HB2 TYR 74 1HB TYR 74 -0.629 -7.782 1.142 528 HB3 TYR 74 2HB TYR 74 -0.340 -7.456 -0.564 529 HD1 TYR 74 2HD TYR 74 -1.291 -10.182 1.785 530 HD2 TYR 74 1HD TYR 74 -1.448 -8.699 -2.200 531 HE1 TYR 74 2HE TYR 74 -2.856 -11.982 1.183 532 HE2 TYR 74 1HE TYR 74 -3.014 -10.494 -2.813 533 HH TYR 74 HH TYR 74 -3.957 -12.423 -2.147 534 H ARG 75 H ARG 75 3.088 -8.401 -1.243 535 HA ARG 75 HA ARG 75 4.539 -6.362 0.024 536 HB2 ARG 75 1HB ARG 75 5.132 -8.020 -1.960 537 HB3 ARG 75 2HB ARG 75 4.656 -6.641 -2.943 538 HG2 ARG 75 1HG ARG 75 6.293 -5.283 -1.549 539 HG3 ARG 75 2HG ARG 75 6.901 -6.834 -0.965 540 HD2 ARG 75 1HD ARG 75 6.711 -6.054 -3.871 541 HD3 ARG 75 2HD ARG 75 8.172 -5.913 -2.894 542 HE ARG 75 HE ARG 75 6.993 -8.551 -2.964 543 HH11 ARG 75 1HH1 ARG 75 9.281 -6.348 -4.389 544 HH12 ARG 75 2HH1 ARG 75 10.244 -7.602 -5.098 545 HH21 ARG 75 1HH2 ARG 75 8.252 -10.211 -3.893 546 HH22 ARG 75 2HH2 ARG 75 9.657 -9.799 -4.817 547 H VAL 76 H VAL 76 3.334 -4.588 0.571 548 HA VAL 76 HA VAL 76 1.672 -3.252 -1.380 549 HB VAL 76 HB VAL 76 2.417 -2.510 1.450 550 HG11 VAL 76 1HG1 VAL 76 1.841 -0.433 0.825 551 HG12 VAL 76 2HG1 VAL 76 1.071 -0.987 -0.663 552 HG13 VAL 76 3HG1 VAL 76 0.192 -1.056 0.865 553 HG21 VAL 76 3HG2 VAL 76 0.997 -4.458 1.338 554 HG22 VAL 76 1HG2 VAL 76 0.051 -3.082 1.904 555 HG23 VAL 76 2HG2 VAL 76 -0.106 -3.634 0.237 556 H LEU 77 H LEU 77 2.473 -1.924 -2.856 557 HA LEU 77 HA LEU 77 4.935 -0.434 -2.230 558 HB2 LEU 77 1HB LEU 77 3.898 -1.699 -4.705 559 HB3 LEU 77 2HB LEU 77 4.817 -0.205 -4.877 560 HG LEU 77 HG LEU 77 6.530 -1.551 -3.343 561 HD11 LEU 77 1HD1 LEU 77 5.812 -3.645 -3.018 562 HD12 LEU 77 2HD1 LEU 77 6.335 -3.919 -4.679 563 HD13 LEU 77 3HD1 LEU 77 4.644 -3.554 -4.336 564 HD21 LEU 77 3HD2 LEU 77 7.641 -2.273 -5.454 565 HD22 LEU 77 1HD2 LEU 77 7.125 -0.587 -5.451 566 HD23 LEU 77 2HD2 LEU 77 6.185 -1.795 -6.327 567 H VAL 78 H VAL 78 4.409 1.555 -1.582 568 HA VAL 78 HA VAL 78 2.225 2.963 -2.958 569 HB VAL 78 HB VAL 78 3.555 3.687 -0.344 570 HG11 VAL 78 1HG1 VAL 78 2.515 5.545 -1.663 571 HG12 VAL 78 2HG1 VAL 78 0.970 4.707 -1.507 572 HG13 VAL 78 3HG1 VAL 78 1.809 5.288 -0.068 573 HG21 VAL 78 3HG2 VAL 78 0.867 2.947 0.046 574 HG22 VAL 78 1HG2 VAL 78 1.602 1.683 -0.942 575 HG23 VAL 78 2HG2 VAL 78 2.313 2.113 0.614 576 H SER 79 H SER 79 2.524 5.020 -3.805 577 HA SER 79 HA SER 79 5.221 6.145 -3.787 578 HB2 SER 79 1HB SER 79 4.711 6.541 -6.382 579 HB3 SER 79 2HB SER 79 5.541 5.097 -5.801 580 HG SER 79 HG SER 79 3.692 4.783 -7.275 581 H ALA 80 H ALA 80 5.227 8.310 -3.678 582 HA ALA 80 HA ALA 80 2.676 9.682 -3.577 583 HB1 ALA 80 3HB ALA 80 5.087 9.973 -2.236 584 HB2 ALA 80 1HB ALA 80 4.992 11.390 -3.282 585 HB3 ALA 80 2HB ALA 80 3.691 11.046 -2.142 586 H ILE 81 H ILE 81 1.799 10.647 -5.275 587 HA ILE 81 HA ILE 81 3.470 11.271 -7.593 588 HB ILE 81 HB ILE 81 0.475 11.113 -7.272 589 HG12 ILE 81 1HG1 ILE 81 0.614 9.170 -8.655 590 HG13 ILE 81 2HG1 ILE 81 2.300 9.488 -9.046 591 HG21 ILE 81 1HG2 ILE 81 2.004 12.590 -9.183 592 HG22 ILE 81 2HG2 ILE 81 1.174 11.264 -9.995 593 HG23 ILE 81 3HG2 ILE 81 0.253 12.429 -9.045 594 HD11 ILE 81 3HD1 ILE 81 3.033 8.815 -6.935 595 HD12 ILE 81 1HD1 ILE 81 1.415 8.924 -6.241 596 HD13 ILE 81 2HD1 ILE 81 1.801 7.635 -7.381 597 H TYR 82 H TYR 82 4.144 13.272 -7.947 598 HA TYR 82 HA TYR 82 2.671 15.495 -6.696 599 HB2 TYR 82 1HB TYR 82 5.593 15.379 -7.473 600 HB3 TYR 82 2HB TYR 82 4.785 16.736 -6.696 601 HD1 TYR 82 1HD TYR 82 4.104 16.598 -4.345 602 HD2 TYR 82 2HD TYR 82 6.219 13.417 -6.220 603 HE1 TYR 82 1HE TYR 82 4.625 15.649 -2.136 604 HE2 TYR 82 2HE TYR 82 6.744 12.459 -4.017 605 HH TYR 82 HH TYR 82 6.154 14.174 -1.080 606 H ALA 83 H ALA 83 2.993 17.620 -7.888 607 HA ALA 83 HA ALA 83 1.830 17.509 -10.397 608 HB1 ALA 83 3HB ALA 83 2.850 19.542 -8.659 609 HB2 ALA 83 1HB ALA 83 3.307 19.899 -10.325 610 HB3 ALA 83 2HB ALA 83 1.610 19.661 -9.907 611 H ALA 84 H ALA 84 5.246 17.669 -9.523 612 HA ALA 84 HA ALA 84 6.124 17.873 -12.260 613 HB1 ALA 84 3HB ALA 84 8.004 18.574 -11.316 614 HB2 ALA 84 1HB ALA 84 7.277 18.305 -9.731 615 HB3 ALA 84 2HB ALA 84 8.215 17.024 -10.501 616 H GLY 85 H GLY 85 6.235 15.354 -9.740 617 HA2 GLY 85 1HA GLY 85 5.811 13.262 -11.624 618 HA3 GLY 85 2HA GLY 85 7.505 13.354 -11.168 619 H ARG 86 H ARG 86 6.617 11.061 -10.532 620 HA ARG 86 HA ARG 86 5.575 11.164 -7.785 621 HB2 ARG 86 1HB ARG 86 4.980 8.806 -8.091 622 HB3 ARG 86 2HB ARG 86 4.251 9.814 -9.334 623 HG2 ARG 86 1HG ARG 86 5.554 8.944 -11.003 624 HG3 ARG 86 2HG ARG 86 6.863 8.508 -9.902 625 HD2 ARG 86 1HD ARG 86 5.507 6.695 -8.995 626 HD3 ARG 86 2HD ARG 86 4.177 7.144 -10.062 627 HE ARG 86 HE ARG 86 6.146 6.696 -11.813 628 HH11 ARG 86 1HH1 ARG 86 5.026 4.847 -9.084 629 HH12 ARG 86 2HH1 ARG 86 5.468 3.319 -9.772 630 HH21 ARG 86 1HH2 ARG 86 6.732 4.691 -12.730 631 HH22 ARG 86 2HH2 ARG 86 6.438 3.232 -11.846 632 H SER 87 H SER 87 6.719 10.355 -6.101 633 HA SER 87 HA SER 87 9.529 10.004 -6.430 634 HB2 SER 87 1HB SER 87 9.541 9.600 -3.994 635 HB3 SER 87 2HB SER 87 8.606 11.037 -4.409 636 HG SER 87 HG SER 87 7.534 8.458 -3.892 637 H GLU 88 H GLU 88 10.609 8.082 -5.241 638 HA GLU 88 HA GLU 88 10.211 5.772 -6.712 639 HB2 GLU 88 1HB GLU 88 11.746 4.696 -5.241 640 HB3 GLU 88 2HB GLU 88 12.248 6.376 -5.364 641 HG2 GLU 88 1HG GLU 88 11.591 6.871 -3.209 642 HG3 GLU 88 2HG GLU 88 10.466 5.517 -3.131 643 H ALA 89 H ALA 89 9.825 3.551 -5.561 644 HA ALA 89 HA ALA 89 7.263 3.762 -4.119 645 HB1 ALA 89 3HB ALA 89 6.834 1.456 -5.077 646 HB2 ALA 89 1HB ALA 89 6.821 2.796 -6.223 647 HB3 ALA 89 2HB ALA 89 8.228 1.737 -6.120 648 H VAL 90 H VAL 90 7.187 2.974 -2.121 649 HA VAL 90 HA VAL 90 9.447 1.377 -1.156 650 HB VAL 90 HB VAL 90 8.483 1.880 1.118 651 HG11 VAL 90 1HG1 VAL 90 10.263 3.233 -0.268 652 HG12 VAL 90 2HG1 VAL 90 9.012 4.478 -0.237 653 HG13 VAL 90 3HG1 VAL 90 9.660 3.840 1.274 654 HG21 VAL 90 3HG2 VAL 90 6.826 3.928 -0.337 655 HG22 VAL 90 1HG2 VAL 90 6.185 2.375 0.200 656 HG23 VAL 90 2HG2 VAL 90 6.802 3.531 1.381 657 H SER 91 H SER 91 9.250 -0.713 -0.683 658 HA SER 91 HA SER 91 6.652 -1.981 -0.989 659 HB2 SER 91 1HB SER 91 7.802 -4.000 -1.274 660 HB3 SER 91 2HB SER 91 8.907 -2.817 -1.973 661 HG SER 91 HG SER 91 9.977 -2.804 0.102 662 H ALA 92 H ALA 92 5.888 -3.581 0.555 663 HA ALA 92 HA ALA 92 6.947 -3.645 3.213 664 HB1 ALA 92 3HB ALA 92 5.489 -1.428 2.791 665 HB2 ALA 92 1HB ALA 92 4.211 -2.545 3.273 666 HB3 ALA 92 2HB ALA 92 5.579 -2.253 4.347 667 H THR 93 H THR 93 6.731 -5.758 3.554 668 HA THR 93 HA THR 93 4.387 -7.179 2.565 669 HB THR 93 HB THR 93 5.576 -9.223 3.328 670 HG1 THR 93 1HG THR 93 7.238 -9.025 4.614 671 HG21 THR 93 3HG2 THR 93 6.967 -9.313 1.494 672 HG22 THR 93 1HG2 THR 93 7.563 -7.671 1.730 673 HG23 THR 93 2HG2 THR 93 5.951 -7.937 1.067 674 H GLY 94 H GLY 94 2.767 -7.934 3.807 675 HA2 GLY 94 1HA GLY 94 3.114 -8.020 6.716 676 HA3 GLY 94 2HA GLY 94 1.839 -6.996 6.073 677 H GLN 95 H GLN 95 2.738 -10.152 6.980 678 HA GLN 95 HA GLN 95 1.047 -11.776 5.516 679 HB2 GLN 95 1HB GLN 95 2.548 -12.874 6.941 680 HB3 GLN 95 2HB GLN 95 2.058 -11.927 8.339 681 HG2 GLN 95 1HG GLN 95 0.019 -13.666 7.075 682 HG3 GLN 95 2HG GLN 95 1.311 -14.442 7.991 683 HE21 GLN 95 1HE2 GLN 95 -0.114 -15.154 9.573 684 HE22 GLN 95 2HE2 GLN 95 -0.811 -14.083 10.734 685 H THR 96 H THR 96 -1.074 -12.408 5.667 686 HA THR 96 HA THR 96 -2.845 -10.537 7.011 687 HB THR 96 HB THR 96 -4.640 -11.961 5.831 688 HG1 THR 96 1HG THR 96 -3.918 -13.312 4.233 689 HG21 THR 96 3HG2 THR 96 -3.633 -10.970 3.516 690 HG22 THR 96 1HG2 THR 96 -2.710 -10.046 4.700 691 HG23 THR 96 2HG2 THR 96 -4.473 -9.999 4.725 692 H ALA 97 H ALA 97 -4.946 -11.620 7.900 693 HA ALA 97 HA ALA 97 -4.113 -13.295 10.095 694 HB1 ALA 97 3HB ALA 97 -6.346 -12.967 10.957 695 HB2 ALA 97 1HB ALA 97 -5.691 -11.424 10.407 696 HB3 ALA 97 2HB ALA 97 -6.872 -12.284 9.418 697 H CYS 98 H CYS 98 -5.753 -15.102 10.730 698 HA CYS 98 HA CYS 98 -5.990 -16.866 8.394 699 HB2 CYS 98 1HB CYS 98 -5.781 -18.716 9.866 700 HB3 CYS 98 2HB CYS 98 -4.572 -17.549 10.387 701 HG CYS 98 HG CYS 98 -6.733 -16.587 12.300 702 HA PRO 99 HA PRO 99 -10.376 -16.894 8.565 703 HB2 PRO 99 1HB PRO 99 -10.905 -19.423 7.732 704 HB3 PRO 99 2HB PRO 99 -10.317 -18.158 6.647 705 HG2 PRO 99 1HG PRO 99 -8.797 -20.360 7.988 706 HG3 PRO 99 2HG PRO 99 -8.672 -19.768 6.322 707 HD2 PRO 99 1HD PRO 99 -6.912 -19.062 8.254 708 HD3 PRO 99 2HD PRO 99 -7.357 -17.973 6.925 709 H SER 100 H SER 100 -8.670 -19.529 10.176 710 HA SER 100 HA SER 100 -9.050 -20.602 12.148 711 HB2 SER 100 1HB SER 100 -9.670 -18.181 12.836 712 HB3 SER 100 2HB SER 100 -11.340 -18.738 12.729 713 HG SER 100 HG SER 100 -9.282 -19.686 14.425 714 H GLY 101 H GLY 101 -10.179 -21.663 9.872 715 HA2 GLY 101 1HA GLY 101 -11.760 -23.166 9.157 716 HA3 GLY 101 2HA GLY 101 -11.993 -23.516 10.863 717 HA PRO 102 HA PRO 102 -16.130 -22.117 10.009 718 HB2 PRO 102 1HB PRO 102 -17.091 -22.561 12.508 719 HB3 PRO 102 2HB PRO 102 -16.830 -23.857 11.335 720 HG2 PRO 102 1HG PRO 102 -15.096 -22.989 13.616 721 HG3 PRO 102 2HG PRO 102 -15.517 -24.630 13.092 722 HD2 PRO 102 1HD PRO 102 -13.150 -23.466 12.477 723 HD3 PRO 102 2HD PRO 102 -13.952 -24.626 11.399 724 H SER 103 H SER 103 -14.382 -21.134 12.947 725 HA SER 103 HA SER 103 -15.956 -18.853 13.485 726 HB2 SER 103 1HB SER 103 -14.475 -19.925 15.157 727 HB3 SER 103 2HB SER 103 -13.071 -19.363 14.252 728 HG SER 103 HG SER 103 -13.339 -17.427 15.043 729 H SER 104 H SER 104 -15.208 -16.597 13.377 730 HA SER 104 HA SER 104 -13.463 -16.067 11.070 731 HB2 SER 104 1HB SER 104 -16.212 -14.932 11.594 732 HB3 SER 104 2HB SER 104 -15.064 -14.168 10.495 733 HG SER 104 HG SER 104 -16.330 -15.529 9.286 734 H GLY 105 H GLY 105 -12.925 -13.640 10.968 735 HA2 GLY 105 1HA GLY 105 -11.344 -12.854 13.004 736 HA3 GLY 105 2HA GLY 105 -12.188 -11.694 11.988 Start of MODEL 8 1 H1 GLY 1 H GLY 1 18.295 8.407 -15.598 2 HA2 GLY 1 1HA GLY 1 20.379 9.683 -14.257 3 HA3 GLY 1 2HA GLY 1 19.850 10.769 -15.533 4 H SER 2 H SER 2 19.683 10.913 -12.546 5 HA SER 2 HA SER 2 16.864 10.745 -11.957 6 HB2 SER 2 1HB SER 2 17.529 11.718 -9.761 7 HB3 SER 2 2HB SER 2 18.448 10.272 -10.179 8 HG SER 2 HG SER 2 19.312 12.957 -10.508 9 H SER 3 H SER 3 16.018 12.162 -13.561 10 HA SER 3 HA SER 3 16.785 14.888 -13.757 11 HB2 SER 3 1HB SER 3 14.273 13.450 -14.640 12 HB3 SER 3 2HB SER 3 14.637 15.130 -15.035 13 HG SER 3 HG SER 3 15.385 13.024 -16.367 14 H GLY 4 H GLY 4 15.566 16.754 -13.134 15 HA2 GLY 4 1HA GLY 4 13.994 17.923 -11.843 16 HA3 GLY 4 2HA GLY 4 13.499 16.404 -11.110 17 H SER 5 H SER 5 13.819 18.592 -9.528 18 HA SER 5 HA SER 5 16.431 18.226 -8.229 19 HB2 SER 5 1HB SER 5 14.416 20.447 -7.815 20 HB3 SER 5 2HB SER 5 16.047 20.372 -7.148 21 HG SER 5 HG SER 5 16.764 20.316 -9.398 22 H SER 6 H SER 6 16.238 18.680 -5.743 23 HA SER 6 HA SER 6 14.803 16.520 -4.632 24 HB2 SER 6 1HB SER 6 16.774 17.162 -3.493 25 HB3 SER 6 2HB SER 6 16.277 18.853 -3.416 26 HG SER 6 HG SER 6 15.103 18.437 -1.705 27 H GLY 7 H GLY 7 12.750 16.371 -4.022 28 HA2 GLY 7 1HA GLY 7 11.331 18.426 -2.690 29 HA3 GLY 7 2HA GLY 7 10.862 18.388 -4.384 30 H ARG 8 H ARG 8 10.875 15.705 -4.936 31 HA ARG 8 HA ARG 8 8.417 14.884 -3.741 32 HB2 ARG 8 1HB ARG 8 10.298 13.345 -5.541 33 HB3 ARG 8 2HB ARG 8 8.646 12.886 -5.153 34 HG2 ARG 8 1HG ARG 8 7.771 14.777 -6.318 35 HG3 ARG 8 2HG ARG 8 9.387 15.449 -6.543 36 HD2 ARG 8 1HD ARG 8 8.709 12.733 -7.601 37 HD3 ARG 8 2HD ARG 8 8.247 14.179 -8.497 38 HE ARG 8 HE ARG 8 11.022 14.096 -7.720 39 HH11 ARG 8 1HH1 ARG 8 8.677 13.241 -10.147 40 HH12 ARG 8 2HH1 ARG 8 9.842 13.152 -11.427 41 HH21 ARG 8 1HH2 ARG 8 12.564 13.981 -9.396 42 HH22 ARG 8 2HH2 ARG 8 12.053 13.572 -10.998 43 H SER 9 H SER 9 8.047 13.519 -2.098 44 HA SER 9 HA SER 9 10.302 11.960 -1.034 45 HB2 SER 9 1HB SER 9 9.624 14.180 0.229 46 HB3 SER 9 2HB SER 9 8.332 13.163 0.869 47 HG SER 9 HG SER 9 10.243 13.150 2.171 48 HA PRO 10 HA PRO 10 7.218 8.771 -1.448 49 HB2 PRO 10 1HB PRO 10 8.795 6.750 -0.552 50 HB3 PRO 10 2HB PRO 10 8.932 7.426 -2.180 51 HG2 PRO 10 1HG PRO 10 10.586 7.989 0.250 52 HG3 PRO 10 2HG PRO 10 11.109 7.740 -1.426 53 HD2 PRO 10 1HD PRO 10 10.889 10.202 -0.319 54 HD3 PRO 10 2HD PRO 10 10.587 9.899 -2.042 55 HA PRO 11 HA PRO 11 5.527 8.332 2.592 56 HB2 PRO 11 1HB PRO 11 4.225 5.963 2.340 57 HB3 PRO 11 2HB PRO 11 3.661 7.455 1.578 58 HG2 PRO 11 1HG PRO 11 5.213 5.189 0.386 59 HG3 PRO 11 2HG PRO 11 3.844 6.088 -0.295 60 HD2 PRO 11 1HD PRO 11 6.409 6.581 -1.007 61 HD3 PRO 11 2HD PRO 11 5.170 7.852 -0.960 62 H SER 12 H SER 12 6.412 7.741 4.465 63 HA SER 12 HA SER 12 7.972 5.240 4.553 64 HB2 SER 12 1HB SER 12 8.455 7.723 6.214 65 HB3 SER 12 2HB SER 12 9.463 6.278 6.150 66 HG SER 12 HG SER 12 9.094 8.275 4.196 67 H ASN 13 H ASN 13 8.327 4.651 7.026 68 HA ASN 13 HA ASN 13 7.401 3.800 8.921 69 HB2 ASN 13 1HB ASN 13 5.728 6.271 8.539 70 HB3 ASN 13 2HB ASN 13 5.407 5.155 9.863 71 HD21 ASN 13 1HD2 ASN 13 7.049 7.871 8.972 72 HD22 ASN 13 2HD2 ASN 13 8.250 7.895 10.213 73 H LEU 14 H LEU 14 6.642 2.657 6.472 74 HA LEU 14 HA LEU 14 3.863 2.282 6.201 75 HB2 LEU 14 1HB LEU 14 6.306 0.917 5.221 76 HB3 LEU 14 2HB LEU 14 4.790 0.021 5.140 77 HG LEU 14 HG LEU 14 5.261 2.718 3.871 78 HD11 LEU 14 1HD1 LEU 14 5.465 -0.075 2.794 79 HD12 LEU 14 2HD1 LEU 14 6.620 1.251 2.659 80 HD13 LEU 14 3HD1 LEU 14 5.109 1.302 1.750 81 HD21 LEU 14 3HD2 LEU 14 3.105 1.033 2.877 82 HD22 LEU 14 1HD2 LEU 14 3.100 2.741 3.317 83 HD23 LEU 14 2HD2 LEU 14 2.889 1.509 4.562 84 H ALA 15 H ALA 15 2.458 1.091 7.314 85 HA ALA 15 HA ALA 15 3.463 -1.104 8.989 86 HB1 ALA 15 3HB ALA 15 3.198 0.471 10.650 87 HB2 ALA 15 1HB ALA 15 1.829 1.242 9.848 88 HB3 ALA 15 2HB ALA 15 1.618 -0.314 10.652 89 H LEU 16 H LEU 16 2.529 -2.899 8.276 90 HA LEU 16 HA LEU 16 -0.111 -2.774 7.037 91 HB2 LEU 16 1HB LEU 16 2.169 -4.665 6.990 92 HB3 LEU 16 2HB LEU 16 0.558 -5.346 6.779 93 HG LEU 16 HG LEU 16 0.208 -3.871 4.840 94 HD11 LEU 16 1HD1 LEU 16 2.234 -2.741 3.890 95 HD12 LEU 16 2HD1 LEU 16 3.032 -3.017 5.438 96 HD13 LEU 16 3HD1 LEU 16 1.588 -2.006 5.358 97 HD21 LEU 16 3HD2 LEU 16 1.755 -5.015 3.324 98 HD22 LEU 16 1HD2 LEU 16 1.056 -6.126 4.501 99 HD23 LEU 16 2HD2 LEU 16 2.711 -5.551 4.706 100 H ALA 17 H ALA 17 -1.852 -3.120 8.233 101 HA ALA 17 HA ALA 17 -1.620 -4.875 10.590 102 HB1 ALA 17 3HB ALA 17 -2.863 -3.452 11.808 103 HB2 ALA 17 1HB ALA 17 -2.360 -2.270 10.599 104 HB3 ALA 17 2HB ALA 17 -3.930 -3.063 10.458 105 H SER 18 H SER 18 -2.552 -6.786 10.341 106 HA SER 18 HA SER 18 -4.696 -7.093 8.368 107 HB2 SER 18 1HB SER 18 -2.662 -8.591 8.311 108 HB3 SER 18 2HB SER 18 -3.216 -9.284 9.835 109 HG SER 18 HG SER 18 -5.056 -9.158 7.749 110 H GLU 19 H GLU 19 -6.633 -6.674 9.237 111 HA GLU 19 HA GLU 19 -7.225 -7.597 11.950 112 HB2 GLU 19 1HB GLU 19 -9.094 -5.992 10.231 113 HB3 GLU 19 2HB GLU 19 -9.012 -6.076 11.985 114 HG2 GLU 19 1HG GLU 19 -7.214 -4.609 10.094 115 HG3 GLU 19 2HG GLU 19 -8.155 -3.977 11.444 116 H THR 20 H THR 20 -7.847 -8.348 8.658 117 HA THR 20 HA THR 20 -9.494 -10.607 9.476 118 HB THR 20 HB THR 20 -11.318 -9.278 8.984 119 HG1 THR 20 1HG THR 20 -12.030 -10.569 7.477 120 HG21 THR 20 3HG2 THR 20 -9.870 -7.361 8.198 121 HG22 THR 20 1HG2 THR 20 -11.418 -7.534 7.371 122 HG23 THR 20 2HG2 THR 20 -9.934 -8.080 6.589 123 HA PRO 21 HA PRO 21 -7.125 -12.678 6.403 124 HB2 PRO 21 1HB PRO 21 -8.783 -14.760 5.868 125 HB3 PRO 21 2HB PRO 21 -7.851 -14.634 7.364 126 HG2 PRO 21 1HG PRO 21 -10.726 -13.968 6.862 127 HG3 PRO 21 2HG PRO 21 -9.998 -14.817 8.238 128 HD2 PRO 21 1HD PRO 21 -10.703 -12.204 8.345 129 HD3 PRO 21 2HD PRO 21 -9.323 -12.859 9.250 130 H ASP 22 H ASP 22 -9.826 -10.926 5.726 131 HA ASP 22 HA ASP 22 -9.722 -11.606 2.859 132 HB2 ASP 22 1HB ASP 22 -12.067 -10.161 4.014 133 HB3 ASP 22 2HB ASP 22 -11.993 -11.258 2.638 134 H SER 23 H SER 23 -8.764 -9.382 5.074 135 HA SER 23 HA SER 23 -8.338 -7.372 3.034 136 HB2 SER 23 1HB SER 23 -9.537 -6.326 5.562 137 HB3 SER 23 2HB SER 23 -9.571 -5.642 3.937 138 HG SER 23 HG SER 23 -11.461 -6.518 3.763 139 H LEU 24 H LEU 24 -6.750 -5.805 3.622 140 HA LEU 24 HA LEU 24 -5.297 -6.326 6.114 141 HB2 LEU 24 1HB LEU 24 -4.251 -7.637 4.300 142 HB3 LEU 24 2HB LEU 24 -3.993 -6.144 3.401 143 HG LEU 24 HG LEU 24 -2.676 -5.462 5.586 144 HD11 LEU 24 1HD1 LEU 24 -1.601 -8.093 5.797 145 HD12 LEU 24 2HD1 LEU 24 -3.332 -8.153 6.125 146 HD13 LEU 24 3HD1 LEU 24 -2.296 -7.073 7.057 147 HD21 LEU 24 3HD2 LEU 24 -1.946 -6.825 3.104 148 HD22 LEU 24 1HD2 LEU 24 -0.747 -6.980 4.388 149 HD23 LEU 24 2HD2 LEU 24 -1.262 -5.381 3.852 150 H GLN 25 H GLN 25 -5.349 -4.441 7.143 151 HA GLN 25 HA GLN 25 -5.620 -1.936 5.814 152 HB2 GLN 25 1HB GLN 25 -6.303 -2.697 8.246 153 HB3 GLN 25 2HB GLN 25 -4.690 -2.123 8.648 154 HG2 GLN 25 1HG GLN 25 -5.214 0.055 8.270 155 HG3 GLN 25 2HG GLN 25 -6.426 -0.332 7.050 156 HE21 GLN 25 1HE2 GLN 25 -8.266 -1.754 8.100 157 HE22 GLN 25 2HE2 GLN 25 -8.948 -1.068 9.531 158 H VAL 26 H VAL 26 -4.137 -0.212 5.720 159 HA VAL 26 HA VAL 26 -1.367 -0.690 6.439 160 HB VAL 26 HB VAL 26 -1.323 -1.697 4.279 161 HG11 VAL 26 1HG1 VAL 26 -3.078 0.582 3.539 162 HG12 VAL 26 2HG1 VAL 26 -2.005 -0.075 2.302 163 HG13 VAL 26 3HG1 VAL 26 -3.185 -1.121 3.093 164 HG21 VAL 26 3HG2 VAL 26 0.163 -0.162 3.028 165 HG22 VAL 26 1HG2 VAL 26 -0.294 1.134 4.134 166 HG23 VAL 26 2HG2 VAL 26 0.574 -0.278 4.739 167 H SER 27 H SER 27 -0.404 1.146 7.053 168 HA SER 27 HA SER 27 -1.572 3.701 6.171 169 HB2 SER 27 1HB SER 27 -1.212 4.608 8.432 170 HB3 SER 27 2HB SER 27 -2.314 3.231 8.465 171 HG SER 27 HG SER 27 -0.089 2.093 8.821 172 H TRP 28 H TRP 28 -0.040 5.570 6.718 173 HA TRP 28 HA TRP 28 2.745 5.042 6.944 174 HB2 TRP 28 1HB TRP 28 3.383 5.814 4.659 175 HB3 TRP 28 2HB TRP 28 2.550 4.262 4.667 176 HD1 TRP 28 HD TRP 28 1.962 7.953 3.750 177 HE1 TRP 28 1HE TRP 28 0.009 8.070 2.077 178 HE3 TRP 28 3HE TRP 28 0.526 3.048 3.835 179 HZ2 TRP 28 2HZ TRP 28 -1.889 6.315 0.945 180 HZ3 TRP 28 3HZ TRP 28 -1.368 2.349 2.429 181 HH2 TRP 28 HH TRP 28 -2.550 3.950 1.015 182 H THR 29 H THR 29 4.047 7.070 6.509 183 HA THR 29 HA THR 29 2.524 9.353 7.520 184 HB THR 29 HB THR 29 5.510 8.909 7.344 185 HG1 THR 29 1HG THR 29 5.312 8.698 9.612 186 HG21 THR 29 3HG2 THR 29 4.564 11.325 7.204 187 HG22 THR 29 1HG2 THR 29 5.860 10.975 8.347 188 HG23 THR 29 2HG2 THR 29 4.194 11.095 8.913 189 HA PRO 30 HA PRO 30 2.629 10.941 3.320 190 HB2 PRO 30 1HB PRO 30 1.006 13.057 3.832 191 HB3 PRO 30 2HB PRO 30 0.396 11.417 3.583 192 HG2 PRO 30 1HG PRO 30 0.877 12.890 6.144 193 HG3 PRO 30 2HG PRO 30 -0.495 11.867 5.683 194 HD2 PRO 30 1HD PRO 30 1.516 10.981 7.265 195 HD3 PRO 30 2HD PRO 30 0.643 9.916 6.145 196 HA PRO 31 HA PRO 31 5.834 13.953 3.807 197 HB2 PRO 31 1HB PRO 31 5.855 14.893 1.260 198 HB3 PRO 31 2HB PRO 31 6.527 13.321 1.710 199 HG2 PRO 31 1HG PRO 31 3.869 13.967 0.493 200 HG3 PRO 31 2HG PRO 31 4.996 12.659 0.089 201 HD2 PRO 31 1HD PRO 31 2.801 12.268 1.625 202 HD3 PRO 31 2HD PRO 31 4.301 11.346 1.852 203 H LEU 32 H LEU 32 6.085 16.337 2.608 204 HA LEU 32 HA LEU 32 3.775 17.840 3.627 205 HB2 LEU 32 1HB LEU 32 6.002 18.244 4.654 206 HB3 LEU 32 2HB LEU 32 6.575 18.818 3.090 207 HG LEU 32 HG LEU 32 4.258 20.116 4.493 208 HD11 LEU 32 1HD1 LEU 32 6.756 21.547 4.732 209 HD12 LEU 32 2HD1 LEU 32 6.823 19.986 5.548 210 HD13 LEU 32 3HD1 LEU 32 5.562 21.146 5.967 211 HD21 LEU 32 3HD2 LEU 32 5.499 22.050 3.129 212 HD22 LEU 32 1HD2 LEU 32 4.259 21.019 2.415 213 HD23 LEU 32 2HD2 LEU 32 5.964 20.666 2.139 214 H GLY 33 H GLY 33 5.920 17.482 0.856 215 HA2 GLY 33 1HA GLY 33 5.114 19.637 -0.694 216 HA3 GLY 33 2HA GLY 33 5.660 18.096 -1.340 217 H ARG 34 H ARG 34 3.598 19.900 -2.355 218 HA ARG 34 HA ARG 34 1.019 18.903 -1.800 219 HB2 ARG 34 1HB ARG 34 1.190 21.035 -2.841 220 HB3 ARG 34 2HB ARG 34 2.161 20.391 -4.159 221 HG2 ARG 34 1HG ARG 34 0.016 20.765 -5.047 222 HG3 ARG 34 2HG ARG 34 0.144 19.021 -4.810 223 HD2 ARG 34 1HD ARG 34 -2.027 19.852 -4.072 224 HD3 ARG 34 2HD ARG 34 -1.099 19.209 -2.717 225 HE ARG 34 HE ARG 34 -0.527 21.864 -2.693 226 HH11 ARG 34 1HH1 ARG 34 -3.479 20.019 -2.682 227 HH12 ARG 34 2HH1 ARG 34 -4.369 21.203 -1.783 228 HH21 ARG 34 1HH2 ARG 34 -1.688 23.430 -1.508 229 HH22 ARG 34 2HH2 ARG 34 -3.349 23.143 -1.116 230 H VAL 35 H VAL 35 0.766 16.729 -1.927 231 HA VAL 35 HA VAL 35 1.585 15.369 -4.398 232 HB VAL 35 HB VAL 35 2.426 14.160 -2.581 233 HG11 VAL 35 1HG1 VAL 35 1.313 15.248 -0.766 234 HG12 VAL 35 2HG1 VAL 35 -0.246 14.578 -1.251 235 HG13 VAL 35 3HG1 VAL 35 1.015 13.516 -0.623 236 HG21 VAL 35 3HG2 VAL 35 0.052 12.489 -2.587 237 HG22 VAL 35 1HG2 VAL 35 0.495 13.030 -4.206 238 HG23 VAL 35 2HG2 VAL 35 1.666 12.159 -3.216 239 H LEU 36 H LEU 36 0.102 15.026 -5.903 240 HA LEU 36 HA LEU 36 -2.595 15.660 -5.680 241 HB2 LEU 36 1HB LEU 36 -1.368 13.669 -7.580 242 HB3 LEU 36 2HB LEU 36 -2.899 14.516 -7.792 243 HG LEU 36 HG LEU 36 -0.173 15.811 -7.772 244 HD11 LEU 36 1HD1 LEU 36 -0.021 15.324 -9.927 245 HD12 LEU 36 2HD1 LEU 36 -1.583 16.084 -10.230 246 HD13 LEU 36 3HD1 LEU 36 -1.502 14.373 -9.810 247 HD21 LEU 36 3HD2 LEU 36 -2.930 16.845 -7.734 248 HD22 LEU 36 1HD2 LEU 36 -1.850 17.589 -8.912 249 HD23 LEU 36 2HD2 LEU 36 -1.425 17.595 -7.201 250 H HIS 37 H HIS 37 -1.302 12.353 -6.040 251 HA HIS 37 HA HIS 37 -3.199 11.404 -4.039 252 HB2 HIS 37 1HB HIS 37 -3.948 9.560 -5.553 253 HB3 HIS 37 2HB HIS 37 -4.483 11.159 -6.062 254 HD1 HIS 37 1HD HIS 37 -2.817 8.190 -7.285 255 HD2 HIS 37 2HD HIS 37 -2.807 12.232 -8.243 256 HE1 HIS 37 1HE HIS 37 -1.840 8.330 -9.598 257 HE2 HIS 37 2HE HIS 37 -1.766 10.792 -10.122 258 H TYR 38 H TYR 38 -2.875 8.879 -3.853 259 HA TYR 38 HA TYR 38 0.032 8.392 -3.863 260 HB2 TYR 38 1HB TYR 38 -2.067 7.506 -1.878 261 HB3 TYR 38 2HB TYR 38 -0.416 6.896 -1.891 262 HD1 TYR 38 1HD TYR 38 -2.499 9.893 -1.348 263 HD2 TYR 38 2HD TYR 38 1.384 8.188 -1.007 264 HE1 TYR 38 1HE TYR 38 -1.794 11.792 0.047 265 HE2 TYR 38 2HE TYR 38 2.099 10.081 0.390 266 HH TYR 38 HH TYR 38 -0.099 12.778 1.095 267 H TRP 39 H TRP 39 0.249 7.228 -5.717 268 HA TRP 39 HA TRP 39 -1.561 5.266 -6.627 269 HB2 TRP 39 1HB TRP 39 0.117 6.405 -8.064 270 HB3 TRP 39 2HB TRP 39 1.390 5.501 -7.249 271 HD1 TRP 39 HD TRP 39 2.131 3.421 -8.525 272 HE1 TRP 39 1HE TRP 39 1.067 1.818 -10.235 273 HE3 TRP 39 3HE TRP 39 -2.559 5.446 -8.725 274 HZ2 TRP 39 2HZ TRP 39 -1.430 1.460 -11.501 275 HZ3 TRP 39 3HZ TRP 39 -4.226 4.414 -10.211 276 HH2 TRP 39 HH TRP 39 -3.672 2.463 -11.570 277 H LEU 40 H LEU 40 -2.074 3.672 -5.213 278 HA LEU 40 HA LEU 40 0.032 2.257 -3.788 279 HB2 LEU 40 1HB LEU 40 -2.372 2.963 -2.953 280 HB3 LEU 40 2HB LEU 40 -2.822 1.422 -3.681 281 HG LEU 40 HG LEU 40 -0.558 1.462 -1.747 282 HD11 LEU 40 1HD1 LEU 40 -1.889 2.575 -0.288 283 HD12 LEU 40 2HD1 LEU 40 -2.549 0.957 -0.054 284 HD13 LEU 40 3HD1 LEU 40 -3.377 2.102 -1.108 285 HD21 LEU 40 3HD2 LEU 40 -2.682 -0.454 -2.639 286 HD22 LEU 40 1HD2 LEU 40 -1.798 -0.712 -1.135 287 HD23 LEU 40 2HD2 LEU 40 -0.928 -0.642 -2.668 288 H THR 41 H THR 41 0.580 0.130 -4.099 289 HA THR 41 HA THR 41 -0.793 -1.397 -6.174 290 HB THR 41 HB THR 41 1.426 -2.026 -7.196 291 HG1 THR 41 1HG THR 41 2.245 -0.126 -5.333 292 HG21 THR 41 3HG2 THR 41 1.570 -0.018 -8.590 293 HG22 THR 41 1HG2 THR 41 0.607 0.874 -7.413 294 HG23 THR 41 2HG2 THR 41 -0.109 -0.470 -8.302 295 H TYR 42 H TYR 42 -1.383 -3.103 -4.971 296 HA TYR 42 HA TYR 42 0.582 -4.308 -3.156 297 HB2 TYR 42 1HB TYR 42 -1.273 -5.421 -2.091 298 HB3 TYR 42 2HB TYR 42 -1.672 -3.715 -2.261 299 HD1 TYR 42 2HD TYR 42 -2.375 -7.104 -3.519 300 HD2 TYR 42 1HD TYR 42 -3.492 -3.001 -3.647 301 HE1 TYR 42 2HE TYR 42 -4.462 -7.714 -4.668 302 HE2 TYR 42 1HE TYR 42 -5.583 -3.600 -4.796 303 HH TYR 42 HH TYR 42 -7.067 -5.751 -4.913 304 H ALA 43 H ALA 43 0.852 -6.617 -3.132 305 HA ALA 43 HA ALA 43 -0.109 -8.149 -5.392 306 HB1 ALA 43 3HB ALA 43 2.496 -6.919 -5.428 307 HB2 ALA 43 1HB ALA 43 2.629 -8.677 -5.491 308 HB3 ALA 43 2HB ALA 43 1.662 -7.821 -6.693 309 HA PRO 44 HA PRO 44 0.342 -11.608 -2.730 310 HB2 PRO 44 1HB PRO 44 1.380 -13.549 -4.319 311 HB3 PRO 44 2HB PRO 44 -0.282 -12.968 -4.473 312 HG2 PRO 44 1HG PRO 44 2.136 -12.238 -6.080 313 HG3 PRO 44 2HG PRO 44 0.485 -12.577 -6.633 314 HD2 PRO 44 1HD PRO 44 1.442 -10.059 -6.362 315 HD3 PRO 44 2HD PRO 44 -0.265 -10.466 -6.091 316 H ALA 45 H ALA 45 3.002 -9.960 -3.744 317 HA ALA 45 HA ALA 45 5.183 -9.865 -3.099 318 HB1 ALA 45 3HB ALA 45 5.270 -11.562 -0.844 319 HB2 ALA 45 1HB ALA 45 5.173 -9.801 -0.884 320 HB3 ALA 45 2HB ALA 45 3.696 -10.765 -0.839 321 H SER 46 H SER 46 4.370 -11.949 -4.946 322 HA SER 46 HA SER 46 6.755 -13.567 -4.803 323 HB2 SER 46 1HB SER 46 5.646 -15.724 -4.857 324 HB3 SER 46 2HB SER 46 5.120 -14.847 -3.420 325 HG SER 46 HG SER 46 3.155 -14.761 -4.189 326 H GLY 47 H GLY 47 7.381 -14.373 -6.791 327 HA2 GLY 47 1HA GLY 47 6.171 -13.113 -9.073 328 HA3 GLY 47 2HA GLY 47 7.577 -14.167 -9.086 329 H LEU 48 H LEU 48 4.058 -14.332 -8.546 330 HA LEU 48 HA LEU 48 4.013 -16.740 -10.232 331 HB2 LEU 48 1HB LEU 48 2.609 -16.347 -7.596 332 HB3 LEU 48 2HB LEU 48 2.243 -17.652 -8.722 333 HG LEU 48 HG LEU 48 5.026 -17.321 -7.675 334 HD11 LEU 48 1HD1 LEU 48 4.060 -19.176 -6.004 335 HD12 LEU 48 2HD1 LEU 48 2.635 -18.150 -6.154 336 HD13 LEU 48 3HD1 LEU 48 4.159 -17.464 -5.594 337 HD21 LEU 48 3HD2 LEU 48 3.551 -19.221 -9.257 338 HD22 LEU 48 1HD2 LEU 48 4.237 -19.995 -7.829 339 HD23 LEU 48 2HD2 LEU 48 5.285 -19.123 -8.947 340 H GLY 49 H GLY 49 1.999 -14.257 -8.659 341 HA2 GLY 49 1HA GLY 49 0.215 -14.364 -11.011 342 HA3 GLY 49 2HA GLY 49 -0.302 -13.894 -9.398 343 HA PRO 50 HA PRO 50 0.878 -10.164 -12.065 344 HB2 PRO 50 1HB PRO 50 -1.617 -9.126 -12.332 345 HB3 PRO 50 2HB PRO 50 -0.928 -10.280 -13.481 346 HG2 PRO 50 1HG PRO 50 -2.833 -10.763 -11.223 347 HG3 PRO 50 2HG PRO 50 -2.860 -11.420 -12.869 348 HD2 PRO 50 1HD PRO 50 -1.940 -12.834 -10.751 349 HD3 PRO 50 2HD PRO 50 -1.281 -13.029 -12.388 350 H GLU 51 H GLU 51 0.665 -7.912 -11.419 351 HA GLU 51 HA GLU 51 0.233 -7.676 -8.531 352 HB2 GLU 51 1HB GLU 51 2.429 -6.999 -9.543 353 HB3 GLU 51 2HB GLU 51 1.581 -5.710 -10.385 354 HG2 GLU 51 1HG GLU 51 1.151 -4.539 -8.432 355 HG3 GLU 51 2HG GLU 51 1.404 -5.954 -7.412 356 H LYS 52 H LYS 52 -1.302 -6.405 -7.662 357 HA LYS 52 HA LYS 52 -3.272 -5.253 -9.452 358 HB2 LYS 52 1HB LYS 52 -3.175 -5.663 -6.467 359 HB3 LYS 52 2HB LYS 52 -4.476 -4.780 -7.254 360 HG2 LYS 52 1HG LYS 52 -3.742 -7.588 -8.023 361 HG3 LYS 52 2HG LYS 52 -4.897 -7.221 -6.740 362 HD2 LYS 52 1HD LYS 52 -6.452 -6.356 -8.205 363 HD3 LYS 52 2HD LYS 52 -5.237 -5.947 -9.418 364 HE2 LYS 52 1HE LYS 52 -4.985 -8.253 -10.028 365 HE3 LYS 52 2HE LYS 52 -6.015 -8.768 -8.692 366 HZ1 LYS 52 3HZ LYS 52 -7.826 -7.446 -9.785 367 HZ2 LYS 52 1HZ LYS 52 -7.331 -8.826 -10.630 368 HZ3 LYS 52 2HZ LYS 52 -6.818 -7.295 -11.135 369 H SER 53 H SER 53 -4.303 -3.124 -8.333 370 HA SER 53 HA SER 53 -2.444 -1.245 -7.282 371 HB2 SER 53 1HB SER 53 -3.303 -0.461 -10.035 372 HB3 SER 53 2HB SER 53 -1.891 0.052 -9.111 373 HG SER 53 HG SER 53 -1.007 -1.318 -10.502 374 H VAL 54 H VAL 54 -3.626 0.075 -6.081 375 HA VAL 54 HA VAL 54 -6.323 0.808 -7.012 376 HB VAL 54 HB VAL 54 -7.115 0.765 -4.685 377 HG11 VAL 54 1HG1 VAL 54 -7.517 -1.178 -6.062 378 HG12 VAL 54 2HG1 VAL 54 -5.928 -1.831 -5.659 379 HG13 VAL 54 3HG1 VAL 54 -7.167 -1.689 -4.412 380 HG21 VAL 54 3HG2 VAL 54 -5.709 -0.443 -2.996 381 HG22 VAL 54 1HG2 VAL 54 -4.358 -0.310 -4.121 382 HG23 VAL 54 2HG2 VAL 54 -5.103 1.146 -3.461 383 H SER 55 H SER 55 -6.843 2.918 -6.875 384 HA SER 55 HA SER 55 -4.765 4.787 -6.184 385 HB2 SER 55 1HB SER 55 -6.090 5.297 -8.122 386 HB3 SER 55 2HB SER 55 -7.588 5.157 -7.203 387 HG SER 55 HG SER 55 -7.371 7.177 -6.715 388 H VAL 56 H VAL 56 -4.868 6.406 -4.603 389 HA VAL 56 HA VAL 56 -6.915 6.041 -2.520 390 HB VAL 56 HB VAL 56 -3.949 6.379 -2.061 391 HG11 VAL 56 1HG1 VAL 56 -5.521 7.652 -0.507 392 HG12 VAL 56 2HG1 VAL 56 -6.043 6.068 0.070 393 HG13 VAL 56 3HG1 VAL 56 -4.357 6.560 0.243 394 HG21 VAL 56 3HG2 VAL 56 -4.719 4.095 -2.663 395 HG22 VAL 56 1HG2 VAL 56 -4.037 4.204 -1.041 396 HG23 VAL 56 2HG2 VAL 56 -5.786 4.125 -1.259 397 HA PRO 57 HA PRO 57 -7.381 10.413 -2.918 398 HB2 PRO 57 1HB PRO 57 -8.764 10.856 -0.624 399 HB3 PRO 57 2HB PRO 57 -9.487 10.105 -2.052 400 HG2 PRO 57 1HG PRO 57 -8.420 8.816 0.430 401 HG3 PRO 57 2HG PRO 57 -9.904 8.452 -0.471 402 HD2 PRO 57 1HD PRO 57 -7.651 6.969 -0.713 403 HD3 PRO 57 2HD PRO 57 -8.785 7.210 -2.058 404 H GLY 58 H GLY 58 -5.550 11.572 -2.675 405 HA2 GLY 58 1HA GLY 58 -3.569 11.516 -0.881 406 HA3 GLY 58 2HA GLY 58 -4.158 13.041 -1.526 407 H ALA 59 H ALA 59 -6.641 13.201 -0.310 408 HA ALA 59 HA ALA 59 -6.312 14.545 1.964 409 HB1 ALA 59 3HB ALA 59 -8.574 12.909 2.485 410 HB2 ALA 59 1HB ALA 59 -8.527 14.566 1.880 411 HB3 ALA 59 2HB ALA 59 -8.500 13.212 0.749 412 H ARG 60 H ARG 60 -6.585 11.005 1.838 413 HA ARG 60 HA ARG 60 -5.739 10.884 4.649 414 HB2 ARG 60 1HB ARG 60 -6.574 8.599 4.654 415 HB3 ARG 60 2HB ARG 60 -7.821 9.697 4.079 416 HG2 ARG 60 1HG ARG 60 -6.937 9.049 1.724 417 HG3 ARG 60 2HG ARG 60 -6.251 7.660 2.569 418 HD2 ARG 60 1HD ARG 60 -8.448 7.133 1.649 419 HD3 ARG 60 2HD ARG 60 -8.466 7.072 3.411 420 HE ARG 60 HE ARG 60 -9.795 9.033 1.714 421 HH11 ARG 60 1HH1 ARG 60 -8.932 7.971 4.915 422 HH12 ARG 60 2HH1 ARG 60 -10.132 8.941 5.702 423 HH21 ARG 60 1HH2 ARG 60 -11.379 10.315 2.738 424 HH22 ARG 60 2HH2 ARG 60 -11.524 10.273 4.463 425 H SER 61 H SER 61 -4.204 9.167 5.242 426 HA SER 61 HA SER 61 -2.219 8.725 3.108 427 HB2 SER 61 1HB SER 61 -0.483 8.810 4.844 428 HB3 SER 61 2HB SER 61 -1.420 10.304 4.819 429 HG SER 61 HG SER 61 -2.129 8.191 6.542 430 H HIS 62 H HIS 62 -4.453 6.997 3.849 431 HA HIS 62 HA HIS 62 -2.992 4.536 4.059 432 HB2 HIS 62 1HB HIS 62 -4.289 3.720 6.053 433 HB3 HIS 62 2HB HIS 62 -3.099 4.967 6.414 434 HD1 HIS 62 1HD HIS 62 -6.455 4.087 7.163 435 HD2 HIS 62 2HD HIS 62 -4.482 7.668 6.429 436 HE1 HIS 62 1HE HIS 62 -7.931 5.878 8.131 437 HE2 HIS 62 2HE HIS 62 -6.758 8.043 7.599 438 H VAL 63 H VAL 63 -4.507 2.628 3.980 439 HA VAL 63 HA VAL 63 -7.224 2.978 3.253 440 HB VAL 63 HB VAL 63 -6.014 3.885 1.209 441 HG11 VAL 63 1HG1 VAL 63 -5.238 2.085 -0.375 442 HG12 VAL 63 2HG1 VAL 63 -4.185 2.389 1.007 443 HG13 VAL 63 3HG1 VAL 63 -5.249 0.982 1.000 444 HG21 VAL 63 3HG2 VAL 63 -7.491 2.577 -0.368 445 HG22 VAL 63 1HG2 VAL 63 -7.946 1.586 1.018 446 HG23 VAL 63 2HG2 VAL 63 -8.306 3.312 1.012 447 H THR 64 H THR 64 -8.293 0.994 2.819 448 HA THR 64 HA THR 64 -6.753 -1.342 3.708 449 HB THR 64 HB THR 64 -9.758 -1.170 3.519 450 HG1 THR 64 1HG THR 64 -8.170 0.207 5.161 451 HG21 THR 64 3HG2 THR 64 -9.087 -2.792 5.623 452 HG22 THR 64 1HG2 THR 64 -7.802 -3.132 4.465 453 HG23 THR 64 2HG2 THR 64 -9.490 -3.348 3.999 454 H LEU 65 H LEU 65 -6.633 -3.202 2.526 455 HA LEU 65 HA LEU 65 -7.676 -3.053 -0.221 456 HB2 LEU 65 1HB LEU 65 -5.391 -4.692 0.865 457 HB3 LEU 65 2HB LEU 65 -5.908 -4.625 -0.818 458 HG LEU 65 HG LEU 65 -4.988 -2.150 0.601 459 HD11 LEU 65 1HD1 LEU 65 -3.147 -3.954 -0.939 460 HD12 LEU 65 2HD1 LEU 65 -3.299 -4.035 0.815 461 HD13 LEU 65 3HD1 LEU 65 -2.741 -2.549 0.047 462 HD21 LEU 65 3HD2 LEU 65 -6.008 -1.706 -1.478 463 HD22 LEU 65 1HD2 LEU 65 -5.191 -3.061 -2.257 464 HD23 LEU 65 2HD2 LEU 65 -4.270 -1.636 -1.774 465 HA PRO 66 HA PRO 66 -10.325 -6.317 1.518 466 HB2 PRO 66 1HB PRO 66 -12.280 -6.000 -0.338 467 HB3 PRO 66 2HB PRO 66 -12.142 -4.977 1.096 468 HG2 PRO 66 1HG PRO 66 -11.255 -4.433 -1.711 469 HG3 PRO 66 2HG PRO 66 -12.075 -3.354 -0.568 470 HD2 PRO 66 1HD PRO 66 -9.409 -3.237 -1.025 471 HD3 PRO 66 2HD PRO 66 -10.125 -2.853 0.554 472 H ASP 67 H ASP 67 -11.526 -8.135 0.267 473 HA ASP 67 HA ASP 67 -11.321 -10.039 -0.963 474 HB2 ASP 67 1HB ASP 67 -10.057 -8.353 -3.117 475 HB3 ASP 67 2HB ASP 67 -11.066 -9.786 -3.300 476 H LEU 68 H LEU 68 -9.409 -10.009 0.833 477 HA LEU 68 HA LEU 68 -6.923 -10.671 -0.603 478 HB2 LEU 68 1HB LEU 68 -7.428 -9.570 2.136 479 HB3 LEU 68 2HB LEU 68 -5.927 -10.417 1.768 480 HG LEU 68 HG LEU 68 -6.922 -7.884 0.464 481 HD11 LEU 68 1HD1 LEU 68 -6.042 -7.019 2.342 482 HD12 LEU 68 2HD1 LEU 68 -4.504 -7.323 1.534 483 HD13 LEU 68 3HD1 LEU 68 -5.125 -8.479 2.713 484 HD21 LEU 68 3HD2 LEU 68 -4.662 -7.900 -0.606 485 HD22 LEU 68 1HD2 LEU 68 -5.757 -9.155 -1.186 486 HD23 LEU 68 2HD2 LEU 68 -4.472 -9.563 -0.049 487 H GLN 69 H GLN 69 -5.576 -12.348 0.608 488 HA GLN 69 HA GLN 69 -7.334 -14.601 1.241 489 HB2 GLN 69 1HB GLN 69 -4.402 -14.508 0.514 490 HB3 GLN 69 2HB GLN 69 -5.290 -15.980 0.887 491 HG2 GLN 69 1HG GLN 69 -6.752 -15.597 -1.020 492 HG3 GLN 69 2HG GLN 69 -5.891 -14.103 -1.388 493 HE21 GLN 69 1HE2 GLN 69 -4.804 -14.446 -3.193 494 HE22 GLN 69 2HE2 GLN 69 -3.785 -15.802 -3.519 495 H ALA 70 H ALA 70 -5.879 -16.246 2.727 496 HA ALA 70 HA ALA 70 -5.394 -14.718 5.198 497 HB1 ALA 70 3HB ALA 70 -6.944 -17.085 4.648 498 HB2 ALA 70 1HB ALA 70 -5.731 -17.398 5.890 499 HB3 ALA 70 2HB ALA 70 -6.893 -16.087 6.101 500 H ALA 71 H ALA 71 -3.720 -15.467 6.628 501 HA ALA 71 HA ALA 71 -1.478 -15.841 6.943 502 HB1 ALA 71 3HB ALA 71 -0.848 -18.211 6.589 503 HB2 ALA 71 1HB ALA 71 -2.381 -18.015 7.440 504 HB3 ALA 71 2HB ALA 71 -2.370 -18.453 5.731 505 H THR 72 H THR 72 -2.105 -14.530 4.430 506 HA THR 72 HA THR 72 0.318 -15.285 2.956 507 HB THR 72 HB THR 72 -2.408 -14.824 1.744 508 HG1 THR 72 1HG THR 72 -1.481 -16.996 2.457 509 HG21 THR 72 3HG2 THR 72 0.228 -15.031 0.286 510 HG22 THR 72 1HG2 THR 72 -0.667 -13.532 0.530 511 HG23 THR 72 2HG2 THR 72 -1.368 -14.830 -0.437 512 H LYS 73 H LYS 73 1.576 -13.560 3.304 513 HA LYS 73 HA LYS 73 0.737 -10.952 3.817 514 HB2 LYS 73 1HB LYS 73 2.970 -10.367 3.793 515 HB3 LYS 73 2HB LYS 73 3.078 -12.102 4.060 516 HG2 LYS 73 1HG LYS 73 3.324 -10.783 1.366 517 HG3 LYS 73 2HG LYS 73 4.689 -11.233 2.390 518 HD2 LYS 73 1HD LYS 73 2.659 -13.315 1.766 519 HD3 LYS 73 2HD LYS 73 3.779 -12.838 0.488 520 HE2 LYS 73 1HE LYS 73 4.735 -13.577 3.236 521 HE3 LYS 73 2HE LYS 73 4.444 -14.798 1.999 522 HZ1 LYS 73 3HZ LYS 73 6.373 -12.547 1.875 523 HZ2 LYS 73 1HZ LYS 73 5.996 -13.533 0.552 524 HZ3 LYS 73 2HZ LYS 73 6.728 -14.200 1.923 525 H TYR 74 H TYR 74 1.491 -9.048 2.364 526 HA TYR 74 HA TYR 74 1.068 -9.526 -0.472 527 HB2 TYR 74 1HB TYR 74 -0.863 -8.069 1.291 528 HB3 TYR 74 2HB TYR 74 -0.646 -7.538 -0.373 529 HD1 TYR 74 2HD TYR 74 -1.557 -10.477 1.704 530 HD2 TYR 74 1HD TYR 74 -1.714 -8.660 -2.140 531 HE1 TYR 74 2HE TYR 74 -3.121 -12.219 0.952 532 HE2 TYR 74 1HE TYR 74 -3.280 -10.396 -2.903 533 HH TYR 74 HH TYR 74 -4.964 -11.972 -1.794 534 H ARG 75 H ARG 75 2.803 -8.561 -1.297 535 HA ARG 75 HA ARG 75 4.289 -6.522 -0.110 536 HB2 ARG 75 1HB ARG 75 4.738 -8.130 -2.185 537 HB3 ARG 75 2HB ARG 75 4.232 -6.704 -3.081 538 HG2 ARG 75 1HG ARG 75 5.973 -5.476 -1.595 539 HG3 ARG 75 2HG ARG 75 6.625 -7.096 -1.345 540 HD2 ARG 75 1HD ARG 75 6.041 -6.096 -4.105 541 HD3 ARG 75 2HD ARG 75 7.538 -5.646 -3.289 542 HE ARG 75 HE ARG 75 8.273 -7.842 -3.457 543 HH11 ARG 75 1HH1 ARG 75 4.999 -7.532 -4.596 544 HH12 ARG 75 2HH1 ARG 75 4.977 -9.089 -5.356 545 HH21 ARG 75 1HH2 ARG 75 8.257 -9.894 -4.453 546 HH22 ARG 75 2HH2 ARG 75 6.831 -10.432 -5.273 547 H VAL 76 H VAL 76 3.386 -4.639 0.470 548 HA VAL 76 HA VAL 76 1.552 -3.284 -1.360 549 HB VAL 76 HB VAL 76 2.296 -2.733 1.512 550 HG11 VAL 76 1HG1 VAL 76 1.897 -0.584 0.857 551 HG12 VAL 76 2HG1 VAL 76 0.853 -1.067 -0.481 552 HG13 VAL 76 3HG1 VAL 76 0.241 -1.101 1.173 553 HG21 VAL 76 3HG2 VAL 76 -0.180 -3.170 1.806 554 HG22 VAL 76 1HG2 VAL 76 -0.174 -3.775 0.150 555 HG23 VAL 76 2HG2 VAL 76 0.809 -4.567 1.381 556 H LEU 77 H LEU 77 2.463 -2.018 -2.838 557 HA LEU 77 HA LEU 77 4.873 -0.496 -2.109 558 HB2 LEU 77 1HB LEU 77 3.870 -1.662 -4.655 559 HB3 LEU 77 2HB LEU 77 4.845 -0.196 -4.734 560 HG LEU 77 HG LEU 77 6.460 -1.665 -3.206 561 HD11 LEU 77 1HD1 LEU 77 6.456 -3.975 -3.825 562 HD12 LEU 77 2HD1 LEU 77 5.118 -3.725 -4.946 563 HD13 LEU 77 3HD1 LEU 77 4.854 -3.568 -3.209 564 HD21 LEU 77 3HD2 LEU 77 6.539 -2.342 -6.095 565 HD22 LEU 77 1HD2 LEU 77 7.821 -1.768 -5.028 566 HD23 LEU 77 2HD2 LEU 77 6.616 -0.638 -5.646 567 H VAL 78 H VAL 78 4.402 1.506 -1.490 568 HA VAL 78 HA VAL 78 2.203 2.927 -2.834 569 HB VAL 78 HB VAL 78 3.517 3.732 -0.243 570 HG11 VAL 78 1HG1 VAL 78 0.807 4.427 -1.362 571 HG12 VAL 78 2HG1 VAL 78 1.581 5.108 0.070 572 HG13 VAL 78 3HG1 VAL 78 2.240 5.440 -1.533 573 HG21 VAL 78 3HG2 VAL 78 2.128 1.404 -0.553 574 HG22 VAL 78 1HG2 VAL 78 2.255 2.314 0.953 575 HG23 VAL 78 2HG2 VAL 78 0.850 2.529 -0.092 576 H SER 79 H SER 79 2.496 5.096 -3.491 577 HA SER 79 HA SER 79 5.175 6.216 -3.461 578 HB2 SER 79 1HB SER 79 3.900 6.065 -6.158 579 HB3 SER 79 2HB SER 79 5.607 6.161 -5.726 580 HG SER 79 HG SER 79 5.505 3.990 -5.075 581 H ALA 80 H ALA 80 5.146 8.390 -3.406 582 HA ALA 80 HA ALA 80 2.568 9.708 -3.348 583 HB1 ALA 80 3HB ALA 80 4.893 11.435 -3.079 584 HB2 ALA 80 1HB ALA 80 3.544 11.169 -1.974 585 HB3 ALA 80 2HB ALA 80 4.921 10.067 -1.966 586 H ILE 81 H ILE 81 1.674 10.531 -5.112 587 HA ILE 81 HA ILE 81 3.279 11.076 -7.466 588 HB ILE 81 HB ILE 81 0.317 11.540 -7.201 589 HG12 ILE 81 1HG1 ILE 81 0.805 9.251 -6.452 590 HG13 ILE 81 2HG1 ILE 81 -0.023 9.247 -8.005 591 HG21 ILE 81 1HG2 ILE 81 0.855 10.597 -9.717 592 HG22 ILE 81 2HG2 ILE 81 0.671 12.294 -9.275 593 HG23 ILE 81 3HG2 ILE 81 2.279 11.574 -9.359 594 HD11 ILE 81 3HD1 ILE 81 2.907 8.791 -7.512 595 HD12 ILE 81 1HD1 ILE 81 1.713 7.607 -8.043 596 HD13 ILE 81 2HD1 ILE 81 2.173 8.936 -9.109 597 H TYR 82 H TYR 82 3.783 13.039 -8.265 598 HA TYR 82 HA TYR 82 2.635 15.408 -6.950 599 HB2 TYR 82 1HB TYR 82 5.545 15.072 -7.705 600 HB3 TYR 82 2HB TYR 82 4.820 16.485 -6.948 601 HD1 TYR 82 1HD TYR 82 3.938 16.297 -4.606 602 HD2 TYR 82 2HD TYR 82 6.253 13.219 -6.413 603 HE1 TYR 82 1HE TYR 82 4.404 15.351 -2.384 604 HE2 TYR 82 2HE TYR 82 6.724 12.263 -4.197 605 HH TYR 82 HH TYR 82 6.412 12.442 -2.011 606 H ALA 83 H ALA 83 2.910 17.410 -8.227 607 HA ALA 83 HA ALA 83 1.804 17.319 -10.705 608 HB1 ALA 83 3HB ALA 83 3.466 19.515 -10.913 609 HB2 ALA 83 1HB ALA 83 1.850 19.490 -10.208 610 HB3 ALA 83 2HB ALA 83 3.267 19.304 -9.174 611 H ALA 84 H ALA 84 5.305 17.523 -10.064 612 HA ALA 84 HA ALA 84 6.040 17.273 -12.800 613 HB1 ALA 84 3HB ALA 84 8.329 16.767 -11.792 614 HB2 ALA 84 1HB ALA 84 7.612 18.337 -11.425 615 HB3 ALA 84 2HB ALA 84 7.568 17.044 -10.225 616 H GLY 85 H GLY 85 6.325 14.988 -10.066 617 HA2 GLY 85 1HA GLY 85 5.548 12.771 -11.710 618 HA3 GLY 85 2HA GLY 85 7.275 12.783 -11.384 619 H ARG 86 H ARG 86 6.425 10.633 -10.447 620 HA ARG 86 HA ARG 86 5.523 11.038 -7.677 621 HB2 ARG 86 1HB ARG 86 4.903 8.640 -7.729 622 HB3 ARG 86 2HB ARG 86 4.054 9.590 -8.941 623 HG2 ARG 86 1HG ARG 86 5.179 8.618 -10.691 624 HG3 ARG 86 2HG ARG 86 6.572 8.188 -9.695 625 HD2 ARG 86 1HD ARG 86 4.809 6.665 -8.474 626 HD3 ARG 86 2HD ARG 86 3.953 6.802 -10.009 627 HE ARG 86 HE ARG 86 6.324 5.285 -9.486 628 HH11 ARG 86 1HH1 ARG 86 4.537 6.995 -11.936 629 HH12 ARG 86 2HH1 ARG 86 5.211 6.085 -13.247 630 HH21 ARG 86 1HH2 ARG 86 7.219 4.081 -11.204 631 HH22 ARG 86 2HH2 ARG 86 6.736 4.427 -12.830 632 H SER 87 H SER 87 6.677 10.220 -5.970 633 HA SER 87 HA SER 87 9.474 9.891 -6.338 634 HB2 SER 87 1HB SER 87 9.540 9.501 -3.912 635 HB3 SER 87 2HB SER 87 8.527 10.892 -4.298 636 HG SER 87 HG SER 87 7.605 8.260 -3.757 637 H GLU 88 H GLU 88 10.522 7.962 -5.001 638 HA GLU 88 HA GLU 88 10.267 5.667 -6.533 639 HB2 GLU 88 1HB GLU 88 11.752 4.624 -5.030 640 HB3 GLU 88 2HB GLU 88 12.171 6.330 -4.974 641 HG2 GLU 88 1HG GLU 88 10.695 6.493 -2.931 642 HG3 GLU 88 2HG GLU 88 10.652 4.731 -2.940 643 H ALA 89 H ALA 89 9.928 3.432 -5.230 644 HA ALA 89 HA ALA 89 7.232 3.590 -4.046 645 HB1 ALA 89 3HB ALA 89 6.516 1.757 -5.246 646 HB2 ALA 89 1HB ALA 89 7.561 2.563 -6.416 647 HB3 ALA 89 2HB ALA 89 8.154 1.163 -5.521 648 H VAL 90 H VAL 90 7.092 2.871 -2.030 649 HA VAL 90 HA VAL 90 9.271 1.224 -0.961 650 HB VAL 90 HB VAL 90 8.260 1.824 1.275 651 HG11 VAL 90 1HG1 VAL 90 9.135 4.178 -0.392 652 HG12 VAL 90 2HG1 VAL 90 9.304 3.981 1.354 653 HG13 VAL 90 3HG1 VAL 90 10.230 2.958 0.256 654 HG21 VAL 90 3HG2 VAL 90 6.429 3.107 1.473 655 HG22 VAL 90 1HG2 VAL 90 6.914 4.169 0.151 656 HG23 VAL 90 2HG2 VAL 90 6.112 2.637 -0.197 657 H SER 91 H SER 91 8.939 -0.887 -0.829 658 HA SER 91 HA SER 91 6.242 -1.960 -0.894 659 HB2 SER 91 1HB SER 91 7.501 -3.297 -2.260 660 HB3 SER 91 2HB SER 91 8.979 -3.033 -1.335 661 HG SER 91 HG SER 91 8.041 -5.188 -1.182 662 H ALA 92 H ALA 92 5.731 -3.831 0.575 663 HA ALA 92 HA ALA 92 7.033 -4.084 3.082 664 HB1 ALA 92 3HB ALA 92 6.227 -2.156 3.953 665 HB2 ALA 92 1HB ALA 92 4.849 -2.105 2.853 666 HB3 ALA 92 2HB ALA 92 4.815 -3.168 4.260 667 H THR 93 H THR 93 6.705 -6.159 3.497 668 HA THR 93 HA THR 93 4.280 -7.473 2.553 669 HB THR 93 HB THR 93 5.438 -9.573 3.304 670 HG1 THR 93 1HG THR 93 6.839 -8.382 4.826 671 HG21 THR 93 3HG2 THR 93 6.799 -9.712 1.398 672 HG22 THR 93 1HG2 THR 93 7.215 -8.000 1.460 673 HG23 THR 93 2HG2 THR 93 5.593 -8.496 0.977 674 H GLY 94 H GLY 94 2.607 -7.924 3.829 675 HA2 GLY 94 1HA GLY 94 3.071 -8.083 6.739 676 HA3 GLY 94 2HA GLY 94 1.745 -7.130 6.088 677 H GLN 95 H GLN 95 2.929 -10.327 6.759 678 HA GLN 95 HA GLN 95 1.153 -11.966 5.478 679 HB2 GLN 95 1HB GLN 95 3.068 -12.497 7.170 680 HB3 GLN 95 2HB GLN 95 1.780 -12.463 8.367 681 HG2 GLN 95 1HG GLN 95 0.579 -14.184 7.054 682 HG3 GLN 95 2HG GLN 95 1.965 -14.269 5.969 683 HE21 GLN 95 1HE2 GLN 95 2.618 -16.308 6.384 684 HE22 GLN 95 2HE2 GLN 95 3.177 -16.857 7.923 685 H THR 96 H THR 96 -0.982 -12.064 5.398 686 HA THR 96 HA THR 96 -2.691 -10.480 6.955 687 HB THR 96 HB THR 96 -4.488 -12.148 6.076 688 HG1 THR 96 1HG THR 96 -3.586 -13.233 4.143 689 HG21 THR 96 3HG2 THR 96 -2.969 -10.036 4.792 690 HG22 THR 96 1HG2 THR 96 -4.703 -10.355 4.758 691 HG23 THR 96 2HG2 THR 96 -3.633 -11.173 3.619 692 H ALA 97 H ALA 97 -4.747 -11.791 7.941 693 HA ALA 97 HA ALA 97 -3.676 -13.032 10.318 694 HB1 ALA 97 3HB ALA 97 -5.555 -11.371 10.331 695 HB2 ALA 97 1HB ALA 97 -6.575 -12.619 9.615 696 HB3 ALA 97 2HB ALA 97 -5.874 -12.862 11.216 697 H CYS 98 H CYS 98 -4.207 -15.104 11.093 698 HA CYS 98 HA CYS 98 -4.677 -17.047 8.967 699 HB2 CYS 98 1HB CYS 98 -3.803 -18.699 10.496 700 HB3 CYS 98 2HB CYS 98 -2.726 -17.308 10.494 701 HG CYS 98 HG CYS 98 -5.043 -17.090 12.870 702 HA PRO 99 HA PRO 99 -8.831 -17.861 10.166 703 HB2 PRO 99 1HB PRO 99 -9.077 -20.382 9.188 704 HB3 PRO 99 2HB PRO 99 -9.039 -18.949 8.153 705 HG2 PRO 99 1HG PRO 99 -6.838 -20.867 8.813 706 HG3 PRO 99 2HG PRO 99 -7.265 -20.149 7.249 707 HD2 PRO 99 1HD PRO 99 -5.226 -19.221 8.770 708 HD3 PRO 99 2HD PRO 99 -6.198 -18.163 7.728 709 H SER 100 H SER 100 -8.639 -17.897 12.434 710 HA SER 100 HA SER 100 -7.991 -20.483 13.660 711 HB2 SER 100 1HB SER 100 -7.737 -19.279 15.747 712 HB3 SER 100 2HB SER 100 -6.815 -18.445 14.497 713 HG SER 100 HG SER 100 -9.025 -17.258 14.323 714 H GLY 101 H GLY 101 -9.345 -21.129 15.552 715 HA2 GLY 101 1HA GLY 101 -11.388 -21.421 16.620 716 HA3 GLY 101 2HA GLY 101 -12.058 -20.131 15.632 717 HA PRO 102 HA PRO 102 -13.118 -24.559 14.088 718 HB2 PRO 102 1HB PRO 102 -15.460 -24.994 15.392 719 HB3 PRO 102 2HB PRO 102 -13.895 -25.511 16.030 720 HG2 PRO 102 1HG PRO 102 -15.518 -23.092 16.721 721 HG3 PRO 102 2HG PRO 102 -14.639 -24.194 17.797 722 HD2 PRO 102 1HD PRO 102 -13.650 -21.784 17.058 723 HD3 PRO 102 2HD PRO 102 -12.609 -23.186 17.379 724 H SER 103 H SER 103 -14.861 -25.035 12.631 725 HA SER 103 HA SER 103 -15.903 -22.699 11.349 726 HB2 SER 103 1HB SER 103 -15.193 -24.627 10.026 727 HB3 SER 103 2HB SER 103 -16.410 -25.635 10.808 728 HG SER 103 HG SER 103 -17.841 -24.878 9.477 729 H SER 104 H SER 104 -17.480 -21.630 12.388 730 HA SER 104 HA SER 104 -19.486 -22.911 13.958 731 HB2 SER 104 1HB SER 104 -18.869 -20.676 14.554 732 HB3 SER 104 2HB SER 104 -19.202 -20.084 12.927 733 HG SER 104 HG SER 104 -21.036 -20.937 14.901 734 H GLY 105 H GLY 105 -19.688 -21.086 10.893 735 HA2 GLY 105 1HA GLY 105 -22.206 -22.515 10.329 736 HA3 GLY 105 2HA GLY 105 -21.775 -20.944 9.671 Start of MODEL 9 1 H1 GLY 1 H GLY 1 17.029 22.652 -8.532 2 HA2 GLY 1 1HA GLY 1 18.545 23.880 -10.673 3 HA3 GLY 1 2HA GLY 1 18.216 22.169 -10.901 4 H SER 2 H SER 2 16.002 21.474 -11.030 5 HA SER 2 HA SER 2 14.388 23.341 -12.501 6 HB2 SER 2 1HB SER 2 13.782 20.507 -11.620 7 HB3 SER 2 2HB SER 2 12.841 21.444 -12.780 8 HG SER 2 HG SER 2 15.493 20.491 -13.041 9 H SER 3 H SER 3 13.704 21.339 -9.625 10 HA SER 3 HA SER 3 11.440 22.964 -8.919 11 HB2 SER 3 1HB SER 3 12.813 20.778 -7.337 12 HB3 SER 3 2HB SER 3 11.227 21.467 -6.993 13 HG SER 3 HG SER 3 10.478 20.617 -8.936 14 H GLY 4 H GLY 4 14.496 22.197 -7.234 15 HA2 GLY 4 1HA GLY 4 15.562 24.527 -6.614 16 HA3 GLY 4 2HA GLY 4 14.143 24.582 -5.579 17 H SER 5 H SER 5 14.584 24.064 -3.554 18 HA SER 5 HA SER 5 16.948 22.537 -2.900 19 HB2 SER 5 1HB SER 5 14.860 23.970 -1.270 20 HB3 SER 5 2HB SER 5 16.059 22.926 -0.508 21 HG SER 5 HG SER 5 16.451 25.359 -0.931 22 H SER 6 H SER 6 13.442 22.181 -2.443 23 HA SER 6 HA SER 6 13.879 19.341 -1.805 24 HB2 SER 6 1HB SER 6 11.787 21.321 -0.995 25 HB3 SER 6 2HB SER 6 11.355 19.613 -1.073 26 HG SER 6 HG SER 6 12.430 20.736 0.938 27 H GLY 7 H GLY 7 11.765 18.030 -2.427 28 HA2 GLY 7 1HA GLY 7 10.639 18.838 -4.978 29 HA3 GLY 7 2HA GLY 7 11.729 17.462 -5.049 30 H ARG 8 H ARG 8 11.025 15.478 -4.417 31 HA ARG 8 HA ARG 8 8.286 15.322 -3.344 32 HB2 ARG 8 1HB ARG 8 9.535 13.454 -5.367 33 HB3 ARG 8 2HB ARG 8 7.907 13.334 -4.712 34 HG2 ARG 8 1HG ARG 8 7.145 15.154 -5.916 35 HG3 ARG 8 2HG ARG 8 8.768 15.809 -6.146 36 HD2 ARG 8 1HD ARG 8 7.798 13.237 -7.381 37 HD3 ARG 8 2HD ARG 8 7.740 14.800 -8.194 38 HE ARG 8 HE ARG 8 10.354 14.414 -7.335 39 HH11 ARG 8 1HH1 ARG 8 8.096 12.946 -9.541 40 HH12 ARG 8 2HH1 ARG 8 9.324 12.373 -10.621 41 HH21 ARG 8 1HH2 ARG 8 11.979 13.665 -8.749 42 HH22 ARG 8 2HH2 ARG 8 11.532 12.781 -10.169 43 H SER 9 H SER 9 8.010 14.071 -1.600 44 HA SER 9 HA SER 9 10.250 12.331 -0.795 45 HB2 SER 9 1HB SER 9 9.590 14.504 0.571 46 HB3 SER 9 2HB SER 9 8.355 13.434 1.236 47 HG SER 9 HG SER 9 10.366 13.451 2.418 48 HA PRO 10 HA PRO 10 7.193 9.119 -1.181 49 HB2 PRO 10 1HB PRO 10 8.806 7.097 -0.355 50 HB3 PRO 10 2HB PRO 10 8.904 7.804 -1.972 51 HG2 PRO 10 1HG PRO 10 10.602 8.338 0.435 52 HG3 PRO 10 2HG PRO 10 11.093 8.126 -1.256 53 HD2 PRO 10 1HD PRO 10 10.872 10.564 -0.098 54 HD3 PRO 10 2HD PRO 10 10.538 10.291 -1.820 55 HA PRO 11 HA PRO 11 5.588 8.596 2.885 56 HB2 PRO 11 1HB PRO 11 4.287 6.230 2.609 57 HB3 PRO 11 2HB PRO 11 3.703 7.736 1.892 58 HG2 PRO 11 1HG PRO 11 5.235 5.501 0.619 59 HG3 PRO 11 2HG PRO 11 3.850 6.410 -0.013 60 HD2 PRO 11 1HD PRO 11 6.398 6.925 -0.769 61 HD3 PRO 11 2HD PRO 11 5.158 8.191 -0.668 62 H SER 12 H SER 12 6.569 8.001 4.705 63 HA SER 12 HA SER 12 8.161 5.521 4.698 64 HB2 SER 12 1HB SER 12 8.542 7.948 6.467 65 HB3 SER 12 2HB SER 12 9.595 6.536 6.373 66 HG SER 12 HG SER 12 9.455 8.729 4.741 67 H ASN 13 H ASN 13 8.526 4.814 7.136 68 HA ASN 13 HA ASN 13 7.623 3.832 8.978 69 HB2 ASN 13 1HB ASN 13 5.732 6.178 8.743 70 HB3 ASN 13 2HB ASN 13 5.714 5.047 10.094 71 HD21 ASN 13 1HD2 ASN 13 6.135 7.769 10.406 72 HD22 ASN 13 2HD2 ASN 13 7.753 8.025 10.957 73 H LEU 14 H LEU 14 6.980 2.632 6.621 74 HA LEU 14 HA LEU 14 4.218 2.249 6.180 75 HB2 LEU 14 1HB LEU 14 6.722 0.887 5.368 76 HB3 LEU 14 2HB LEU 14 5.222 -0.027 5.222 77 HG LEU 14 HG LEU 14 5.762 2.639 3.915 78 HD11 LEU 14 1HD1 LEU 14 5.493 0.051 2.453 79 HD12 LEU 14 2HD1 LEU 14 7.048 0.510 3.148 80 HD13 LEU 14 3HD1 LEU 14 6.275 1.551 1.952 81 HD21 LEU 14 3HD2 LEU 14 3.427 0.761 3.926 82 HD22 LEU 14 1HD2 LEU 14 3.723 1.841 2.563 83 HD23 LEU 14 2HD2 LEU 14 3.454 2.508 4.174 84 H ALA 15 H ALA 15 2.754 0.990 7.153 85 HA ALA 15 HA ALA 15 3.665 -1.154 8.933 86 HB1 ALA 15 3HB ALA 15 2.042 -0.444 10.656 87 HB2 ALA 15 1HB ALA 15 3.328 0.735 10.395 88 HB3 ALA 15 2HB ALA 15 1.723 1.014 9.718 89 H LEU 16 H LEU 16 2.774 -2.934 8.127 90 HA LEU 16 HA LEU 16 0.172 -2.798 6.810 91 HB2 LEU 16 1HB LEU 16 2.466 -4.670 6.794 92 HB3 LEU 16 2HB LEU 16 0.867 -5.367 6.540 93 HG LEU 16 HG LEU 16 0.560 -3.780 4.636 94 HD11 LEU 16 1HD1 LEU 16 2.691 -2.821 3.702 95 HD12 LEU 16 2HD1 LEU 16 3.434 -3.155 5.266 96 HD13 LEU 16 3HD1 LEU 16 2.075 -2.037 5.156 97 HD21 LEU 16 3HD2 LEU 16 1.216 -6.087 4.249 98 HD22 LEU 16 1HD2 LEU 16 2.912 -5.662 4.480 99 HD23 LEU 16 2HD2 LEU 16 2.023 -5.018 3.100 100 H ALA 17 H ALA 17 -1.475 -2.871 8.214 101 HA ALA 17 HA ALA 17 -1.401 -4.922 10.329 102 HB1 ALA 17 3HB ALA 17 -2.661 -3.557 11.724 103 HB2 ALA 17 1HB ALA 17 -1.568 -2.420 10.933 104 HB3 ALA 17 2HB ALA 17 -3.240 -2.559 10.390 105 H SER 18 H SER 18 -2.759 -6.571 10.126 106 HA SER 18 HA SER 18 -4.931 -6.370 8.165 107 HB2 SER 18 1HB SER 18 -4.711 -8.628 7.781 108 HB3 SER 18 2HB SER 18 -3.063 -8.260 8.289 109 HG SER 18 HG SER 18 -5.143 -9.274 9.937 110 H GLU 19 H GLU 19 -6.963 -6.182 8.820 111 HA GLU 19 HA GLU 19 -7.587 -6.729 11.636 112 HB2 GLU 19 1HB GLU 19 -9.421 -5.281 9.754 113 HB3 GLU 19 2HB GLU 19 -9.304 -5.152 11.503 114 HG2 GLU 19 1HG GLU 19 -6.908 -4.232 10.949 115 HG3 GLU 19 2HG GLU 19 -7.651 -3.876 9.390 116 H THR 20 H THR 20 -8.120 -7.872 8.464 117 HA THR 20 HA THR 20 -9.903 -9.936 9.489 118 HB THR 20 HB THR 20 -11.634 -8.610 8.715 119 HG1 THR 20 1HG THR 20 -12.380 -9.682 6.933 120 HG21 THR 20 3HG2 THR 20 -10.067 -6.890 7.738 121 HG22 THR 20 1HG2 THR 20 -11.572 -7.130 6.850 122 HG23 THR 20 2HG2 THR 20 -10.072 -7.842 6.253 123 HA PRO 21 HA PRO 21 -7.494 -12.511 6.862 124 HB2 PRO 21 1HB PRO 21 -9.239 -14.555 6.473 125 HB3 PRO 21 2HB PRO 21 -8.399 -14.287 8.005 126 HG2 PRO 21 1HG PRO 21 -11.189 -13.540 7.221 127 HG3 PRO 21 2HG PRO 21 -10.604 -14.243 8.740 128 HD2 PRO 21 1HD PRO 21 -11.153 -11.605 8.471 129 HD3 PRO 21 2HD PRO 21 -9.877 -12.210 9.546 130 H ASP 22 H ASP 22 -10.011 -10.704 5.778 131 HA ASP 22 HA ASP 22 -9.743 -11.734 3.029 132 HB2 ASP 22 1HB ASP 22 -12.018 -10.748 2.620 133 HB3 ASP 22 2HB ASP 22 -12.004 -12.117 3.729 134 H SER 23 H SER 23 -8.832 -9.321 5.025 135 HA SER 23 HA SER 23 -8.187 -7.565 2.829 136 HB2 SER 23 1HB SER 23 -9.680 -6.270 5.089 137 HB3 SER 23 2HB SER 23 -9.402 -5.674 3.452 138 HG SER 23 HG SER 23 -11.580 -6.491 3.956 139 H LEU 24 H LEU 24 -6.545 -6.079 3.327 140 HA LEU 24 HA LEU 24 -5.333 -6.401 5.992 141 HB2 LEU 24 1HB LEU 24 -4.113 -7.663 4.256 142 HB3 LEU 24 2HB LEU 24 -3.874 -6.162 3.364 143 HG LEU 24 HG LEU 24 -2.734 -5.420 5.640 144 HD11 LEU 24 1HD1 LEU 24 -1.681 -8.144 5.741 145 HD12 LEU 24 2HD1 LEU 24 -3.349 -7.998 6.293 146 HD13 LEU 24 3HD1 LEU 24 -2.084 -7.030 7.048 147 HD21 LEU 24 3HD2 LEU 24 -0.710 -6.925 4.452 148 HD22 LEU 24 1HD2 LEU 24 -1.132 -5.247 4.110 149 HD23 LEU 24 2HD2 LEU 24 -1.831 -6.545 3.143 150 H GLN 25 H GLN 25 -5.049 -4.558 7.053 151 HA GLN 25 HA GLN 25 -5.516 -2.039 5.707 152 HB2 GLN 25 1HB GLN 25 -6.255 -2.850 8.124 153 HB3 GLN 25 2HB GLN 25 -4.694 -2.174 8.570 154 HG2 GLN 25 1HG GLN 25 -5.336 -0.035 8.143 155 HG3 GLN 25 2HG GLN 25 -6.490 -0.512 6.898 156 HE21 GLN 25 1HE2 GLN 25 -8.289 -1.994 7.891 157 HE22 GLN 25 2HE2 GLN 25 -9.041 -1.348 9.306 158 H VAL 26 H VAL 26 -4.060 -0.385 5.440 159 HA VAL 26 HA VAL 26 -1.307 -0.776 6.341 160 HB VAL 26 HB VAL 26 -1.286 -1.760 4.131 161 HG11 VAL 26 1HG1 VAL 26 -1.737 0.185 2.283 162 HG12 VAL 26 2HG1 VAL 26 -2.911 -1.045 2.756 163 HG13 VAL 26 3HG1 VAL 26 -2.965 0.557 3.492 164 HG21 VAL 26 3HG2 VAL 26 0.136 0.730 4.736 165 HG22 VAL 26 1HG2 VAL 26 0.757 -0.834 4.208 166 HG23 VAL 26 2HG2 VAL 26 0.112 0.303 3.025 167 H SER 27 H SER 27 -0.262 1.088 6.824 168 HA SER 27 HA SER 27 -1.481 3.627 5.998 169 HB2 SER 27 1HB SER 27 -1.441 4.524 8.206 170 HB3 SER 27 2HB SER 27 -2.207 2.941 8.338 171 HG SER 27 HG SER 27 0.512 3.536 8.902 172 H TRP 28 H TRP 28 0.036 5.499 6.756 173 HA TRP 28 HA TRP 28 2.809 4.970 7.015 174 HB2 TRP 28 1HB TRP 28 3.501 5.857 4.777 175 HB3 TRP 28 2HB TRP 28 2.711 4.284 4.711 176 HD1 TRP 28 HD TRP 28 2.039 7.988 3.906 177 HE1 TRP 28 1HE TRP 28 0.132 8.107 2.182 178 HE3 TRP 28 3HE TRP 28 0.754 3.041 3.775 179 HZ2 TRP 28 2HZ TRP 28 -1.679 6.338 0.932 180 HZ3 TRP 28 3HZ TRP 28 -1.076 2.337 2.289 181 HH2 TRP 28 HH TRP 28 -2.267 3.953 0.899 182 H THR 29 H THR 29 4.117 7.020 6.691 183 HA THR 29 HA THR 29 2.584 9.240 7.801 184 HB THR 29 HB THR 29 5.578 8.938 7.493 185 HG1 THR 29 1HG THR 29 3.753 8.177 9.470 186 HG21 THR 29 3HG2 THR 29 5.594 10.770 9.223 187 HG22 THR 29 1HG2 THR 29 3.872 10.983 8.908 188 HG23 THR 29 2HG2 THR 29 5.045 11.259 7.620 189 HA PRO 30 HA PRO 30 2.581 10.953 3.632 190 HB2 PRO 30 1HB PRO 30 0.794 12.916 4.203 191 HB3 PRO 30 2HB PRO 30 0.316 11.246 3.878 192 HG2 PRO 30 1HG PRO 30 0.648 12.644 6.504 193 HG3 PRO 30 2HG PRO 30 -0.635 11.538 5.980 194 HD2 PRO 30 1HD PRO 30 1.418 10.745 7.557 195 HD3 PRO 30 2HD PRO 30 0.643 9.663 6.381 196 HA PRO 31 HA PRO 31 5.553 14.164 4.324 197 HB2 PRO 31 1HB PRO 31 5.606 15.158 1.798 198 HB3 PRO 31 2HB PRO 31 6.374 13.630 2.246 199 HG2 PRO 31 1HG PRO 31 3.726 14.105 0.933 200 HG3 PRO 31 2HG PRO 31 4.963 12.892 0.552 201 HD2 PRO 31 1HD PRO 31 2.744 12.307 1.988 202 HD3 PRO 31 2HD PRO 31 4.299 11.494 2.259 203 H LEU 32 H LEU 32 5.650 16.581 3.109 204 HA LEU 32 HA LEU 32 3.222 17.895 4.114 205 HB2 LEU 32 1HB LEU 32 4.509 19.784 4.599 206 HB3 LEU 32 2HB LEU 32 5.507 18.416 5.088 207 HG LEU 32 HG LEU 32 5.905 19.614 2.383 208 HD11 LEU 32 1HD1 LEU 32 6.906 21.494 3.091 209 HD12 LEU 32 2HD1 LEU 32 7.573 20.722 4.529 210 HD13 LEU 32 3HD1 LEU 32 5.899 21.276 4.522 211 HD21 LEU 32 3HD2 LEU 32 7.696 18.299 2.380 212 HD22 LEU 32 1HD2 LEU 32 7.101 17.586 3.879 213 HD23 LEU 32 2HD2 LEU 32 8.238 18.934 3.935 214 H GLY 33 H GLY 33 5.210 17.444 1.302 215 HA2 GLY 33 1HA GLY 33 4.351 19.626 -0.249 216 HA3 GLY 33 2HA GLY 33 4.960 18.103 -0.881 217 H ARG 34 H ARG 34 2.794 19.808 -1.874 218 HA ARG 34 HA ARG 34 0.277 18.691 -1.278 219 HB2 ARG 34 1HB ARG 34 0.366 20.829 -2.344 220 HB3 ARG 34 2HB ARG 34 1.297 20.187 -3.691 221 HG2 ARG 34 1HG ARG 34 -1.037 20.608 -4.292 222 HG3 ARG 34 2HG ARG 34 -0.612 18.901 -4.439 223 HD2 ARG 34 1HD ARG 34 -1.826 18.310 -2.543 224 HD3 ARG 34 2HD ARG 34 -1.842 19.960 -1.923 225 HE ARG 34 HE ARG 34 -3.696 18.788 -3.776 226 HH11 ARG 34 1HH1 ARG 34 -2.267 21.760 -2.660 227 HH12 ARG 34 2HH1 ARG 34 -3.590 22.746 -3.185 228 HH21 ARG 34 1HH2 ARG 34 -5.445 20.076 -4.472 229 HH22 ARG 34 2HH2 ARG 34 -5.398 21.787 -4.215 230 H VAL 35 H VAL 35 -0.093 16.570 -1.475 231 HA VAL 35 HA VAL 35 0.882 15.178 -3.874 232 HB VAL 35 HB VAL 35 -0.105 14.037 -1.256 233 HG11 VAL 35 1HG1 VAL 35 -0.516 12.695 -3.393 234 HG12 VAL 35 2HG1 VAL 35 1.238 12.510 -3.465 235 HG13 VAL 35 3HG1 VAL 35 0.340 11.890 -2.079 236 HG21 VAL 35 3HG2 VAL 35 2.223 15.232 -1.515 237 HG22 VAL 35 1HG2 VAL 35 2.076 13.719 -0.621 238 HG23 VAL 35 2HG2 VAL 35 2.674 13.709 -2.281 239 H LEU 36 H LEU 36 -0.538 14.907 -5.454 240 HA LEU 36 HA LEU 36 -3.275 15.453 -5.266 241 HB2 LEU 36 1HB LEU 36 -1.958 13.668 -7.302 242 HB3 LEU 36 2HB LEU 36 -3.466 14.562 -7.484 243 HG LEU 36 HG LEU 36 -0.759 15.855 -7.175 244 HD11 LEU 36 1HD1 LEU 36 -0.491 15.919 -9.429 245 HD12 LEU 36 2HD1 LEU 36 -2.224 15.880 -9.751 246 HD13 LEU 36 3HD1 LEU 36 -1.375 14.398 -9.309 247 HD21 LEU 36 3HD2 LEU 36 -2.959 17.061 -6.550 248 HD22 LEU 36 1HD2 LEU 36 -3.236 17.110 -8.292 249 HD23 LEU 36 2HD2 LEU 36 -1.805 17.879 -7.605 250 H HIS 37 H HIS 37 -1.779 12.258 -5.818 251 HA HIS 37 HA HIS 37 -3.799 11.061 -4.071 252 HB2 HIS 37 1HB HIS 37 -3.935 9.174 -5.861 253 HB3 HIS 37 2HB HIS 37 -4.886 10.639 -6.084 254 HD1 HIS 37 1HD HIS 37 -2.562 8.496 -7.803 255 HD2 HIS 37 2HD HIS 37 -3.499 12.543 -7.903 256 HE1 HIS 37 1HE HIS 37 -1.653 9.343 -9.990 257 HE2 HIS 37 2HE HIS 37 -2.157 11.811 -9.989 258 H TYR 38 H TYR 38 -3.276 8.565 -3.940 259 HA TYR 38 HA TYR 38 -0.356 8.283 -3.669 260 HB2 TYR 38 1HB TYR 38 -2.552 7.479 -1.774 261 HB3 TYR 38 2HB TYR 38 -0.964 6.722 -1.715 262 HD1 TYR 38 2HD TYR 38 0.975 8.721 -1.953 263 HD2 TYR 38 1HD TYR 38 -2.850 9.045 -0.117 264 HE1 TYR 38 2HE TYR 38 1.807 10.567 -0.558 265 HE2 TYR 38 1HE TYR 38 -2.029 10.893 1.282 266 HH TYR 38 HH TYR 38 0.154 12.713 0.829 267 H TRP 39 H TRP 39 -0.084 7.158 -5.580 268 HA TRP 39 HA TRP 39 -1.688 5.039 -6.477 269 HB2 TRP 39 1HB TRP 39 -0.012 6.288 -7.856 270 HB3 TRP 39 2HB TRP 39 1.265 5.418 -7.010 271 HD1 TRP 39 HD TRP 39 2.170 3.540 -8.475 272 HE1 TRP 39 1HE TRP 39 1.183 1.853 -10.150 273 HE3 TRP 39 3HE TRP 39 -2.721 5.019 -8.329 274 HZ2 TRP 39 2HZ TRP 39 -1.336 1.232 -11.262 275 HZ3 TRP 39 3HZ TRP 39 -4.356 3.827 -9.729 276 HH2 TRP 39 HH TRP 39 -3.675 1.973 -11.165 277 H LEU 40 H LEU 40 -2.088 3.246 -5.359 278 HA LEU 40 HA LEU 40 0.074 2.042 -3.777 279 HB2 LEU 40 1HB LEU 40 -2.342 2.664 -2.911 280 HB3 LEU 40 2HB LEU 40 -2.743 1.097 -3.611 281 HG LEU 40 HG LEU 40 -0.449 1.247 -1.720 282 HD11 LEU 40 1HD1 LEU 40 -1.923 2.462 -0.394 283 HD12 LEU 40 2HD1 LEU 40 -2.196 0.795 0.111 284 HD13 LEU 40 3HD1 LEU 40 -3.334 1.582 -0.983 285 HD21 LEU 40 3HD2 LEU 40 -2.210 -0.896 -1.228 286 HD22 LEU 40 1HD2 LEU 40 -0.619 -0.948 -1.987 287 HD23 LEU 40 2HD2 LEU 40 -2.063 -0.749 -2.980 288 H THR 41 H THR 41 0.775 -0.008 -4.143 289 HA THR 41 HA THR 41 -0.592 -1.632 -6.160 290 HB THR 41 HB THR 41 1.806 -2.194 -7.032 291 HG1 THR 41 1HG THR 41 2.156 0.197 -5.599 292 HG21 THR 41 3HG2 THR 41 -0.235 -0.485 -7.887 293 HG22 THR 41 1HG2 THR 41 1.072 -1.153 -8.864 294 HG23 THR 41 2HG2 THR 41 1.257 0.429 -8.106 295 H TYR 42 H TYR 42 -1.107 -3.349 -4.938 296 HA TYR 42 HA TYR 42 0.925 -4.470 -3.141 297 HB2 TYR 42 1HB TYR 42 -0.914 -5.688 -2.087 298 HB3 TYR 42 2HB TYR 42 -1.266 -3.965 -2.140 299 HD1 TYR 42 1HD TYR 42 -3.032 -3.098 -3.572 300 HD2 TYR 42 2HD TYR 42 -2.184 -7.265 -3.426 301 HE1 TYR 42 1HE TYR 42 -5.174 -3.567 -4.685 302 HE2 TYR 42 2HE TYR 42 -4.324 -7.745 -4.540 303 HH TYR 42 HH TYR 42 -5.937 -6.014 -6.250 304 H ALA 43 H ALA 43 1.086 -6.844 -3.030 305 HA ALA 43 HA ALA 43 0.110 -8.520 -5.081 306 HB1 ALA 43 3HB ALA 43 1.573 -8.316 -6.739 307 HB2 ALA 43 1HB ALA 43 2.236 -6.907 -5.911 308 HB3 ALA 43 2HB ALA 43 2.933 -8.504 -5.632 309 HA PRO 44 HA PRO 44 1.557 -11.667 -2.388 310 HB2 PRO 44 1HB PRO 44 2.272 -13.659 -4.088 311 HB3 PRO 44 2HB PRO 44 0.589 -13.206 -3.793 312 HG2 PRO 44 1HG PRO 44 2.382 -12.451 -6.068 313 HG3 PRO 44 2HG PRO 44 0.679 -12.946 -6.102 314 HD2 PRO 44 1HD PRO 44 1.447 -10.355 -6.269 315 HD3 PRO 44 2HD PRO 44 -0.072 -10.853 -5.495 316 H ALA 45 H ALA 45 3.391 -10.863 -1.396 317 HA ALA 45 HA ALA 45 5.878 -10.379 -2.443 318 HB1 ALA 45 3HB ALA 45 4.806 -10.926 0.213 319 HB2 ALA 45 1HB ALA 45 6.498 -11.388 0.030 320 HB3 ALA 45 2HB ALA 45 5.994 -9.731 -0.308 321 H SER 46 H SER 46 4.464 -13.467 -1.564 322 HA SER 46 HA SER 46 6.956 -14.885 -2.040 323 HB2 SER 46 1HB SER 46 4.202 -15.954 -1.375 324 HB3 SER 46 2HB SER 46 5.695 -16.892 -1.402 325 HG SER 46 HG SER 46 4.766 -15.789 0.670 326 H GLY 47 H GLY 47 5.969 -13.463 -4.272 327 HA2 GLY 47 1HA GLY 47 5.169 -13.738 -6.443 328 HA3 GLY 47 2HA GLY 47 6.368 -15.022 -6.397 329 H LEU 48 H LEU 48 2.958 -14.321 -5.740 330 HA LEU 48 HA LEU 48 2.348 -17.107 -6.478 331 HB2 LEU 48 1HB LEU 48 0.790 -15.425 -4.525 332 HB3 LEU 48 2HB LEU 48 0.522 -17.121 -4.919 333 HG LEU 48 HG LEU 48 3.038 -16.129 -3.596 334 HD11 LEU 48 1HD1 LEU 48 1.075 -17.554 -1.953 335 HD12 LEU 48 2HD1 LEU 48 0.586 -15.931 -2.439 336 HD13 LEU 48 3HD1 LEU 48 2.098 -16.172 -1.563 337 HD21 LEU 48 3HD2 LEU 48 3.574 -18.217 -4.311 338 HD22 LEU 48 1HD2 LEU 48 1.897 -18.759 -4.345 339 HD23 LEU 48 2HD2 LEU 48 2.759 -18.657 -2.810 340 H GLY 49 H GLY 49 2.496 -14.911 -8.280 341 HA2 GLY 49 1HA GLY 49 0.739 -15.059 -10.124 342 HA3 GLY 49 2HA GLY 49 -0.347 -14.423 -8.897 343 HA PRO 50 HA PRO 50 1.467 -10.895 -11.345 344 HB2 PRO 50 1HB PRO 50 -0.919 -9.740 -11.934 345 HB3 PRO 50 2HB PRO 50 -0.185 -10.995 -12.939 346 HG2 PRO 50 1HG PRO 50 -2.341 -11.239 -10.877 347 HG3 PRO 50 2HG PRO 50 -2.236 -11.991 -12.480 348 HD2 PRO 50 1HD PRO 50 -1.630 -13.325 -10.203 349 HD3 PRO 50 2HD PRO 50 -0.816 -13.651 -11.747 350 H GLU 51 H GLU 51 0.683 -8.470 -11.047 351 HA GLU 51 HA GLU 51 0.190 -8.078 -8.168 352 HB2 GLU 51 1HB GLU 51 1.675 -6.232 -8.157 353 HB3 GLU 51 2HB GLU 51 2.509 -7.517 -9.020 354 HG2 GLU 51 1HG GLU 51 1.070 -5.193 -10.280 355 HG3 GLU 51 2HG GLU 51 2.816 -5.361 -10.104 356 H LYS 52 H LYS 52 -1.184 -6.439 -7.528 357 HA LYS 52 HA LYS 52 -2.866 -5.325 -9.668 358 HB2 LYS 52 1HB LYS 52 -3.467 -5.813 -6.746 359 HB3 LYS 52 2HB LYS 52 -4.569 -5.024 -7.867 360 HG2 LYS 52 1HG LYS 52 -3.506 -7.771 -8.411 361 HG3 LYS 52 2HG LYS 52 -4.908 -7.513 -7.370 362 HD2 LYS 52 1HD LYS 52 -6.189 -6.634 -9.116 363 HD3 LYS 52 2HD LYS 52 -4.770 -6.306 -10.114 364 HE2 LYS 52 1HE LYS 52 -5.763 -8.184 -11.100 365 HE3 LYS 52 2HE LYS 52 -4.429 -8.837 -10.150 366 HZ1 LYS 52 3HZ LYS 52 -7.291 -9.157 -9.789 367 HZ2 LYS 52 1HZ LYS 52 -6.400 -8.933 -8.368 368 HZ3 LYS 52 2HZ LYS 52 -6.025 -10.213 -9.408 369 H SER 53 H SER 53 -4.022 -3.214 -8.797 370 HA SER 53 HA SER 53 -2.282 -1.493 -7.256 371 HB2 SER 53 1HB SER 53 -2.897 -0.709 -10.108 372 HB3 SER 53 2HB SER 53 -1.830 0.113 -8.969 373 HG SER 53 HG SER 53 -0.767 -2.158 -9.035 374 H VAL 54 H VAL 54 -3.528 -0.237 -6.047 375 HA VAL 54 HA VAL 54 -6.203 0.486 -7.056 376 HB VAL 54 HB VAL 54 -7.025 0.439 -4.742 377 HG11 VAL 54 1HG1 VAL 54 -5.803 -2.071 -5.853 378 HG12 VAL 54 2HG1 VAL 54 -6.825 -2.078 -4.414 379 HG13 VAL 54 3HG1 VAL 54 -7.476 -1.522 -5.956 380 HG21 VAL 54 3HG2 VAL 54 -4.297 -0.669 -4.084 381 HG22 VAL 54 1HG2 VAL 54 -4.938 0.895 -3.581 382 HG23 VAL 54 2HG2 VAL 54 -5.665 -0.593 -2.975 383 H SER 55 H SER 55 -6.780 2.583 -6.945 384 HA SER 55 HA SER 55 -4.759 4.506 -6.215 385 HB2 SER 55 1HB SER 55 -6.029 4.948 -8.214 386 HB3 SER 55 2HB SER 55 -7.552 4.816 -7.335 387 HG SER 55 HG SER 55 -6.686 7.009 -7.768 388 H VAL 56 H VAL 56 -4.827 5.986 -4.564 389 HA VAL 56 HA VAL 56 -7.025 5.717 -2.622 390 HB VAL 56 HB VAL 56 -4.085 5.934 -1.961 391 HG11 VAL 56 1HG1 VAL 56 -5.801 7.152 -0.478 392 HG12 VAL 56 2HG1 VAL 56 -6.295 5.534 0.024 393 HG13 VAL 56 3HG1 VAL 56 -4.638 6.076 0.296 394 HG21 VAL 56 3HG2 VAL 56 -5.492 3.686 -2.640 395 HG22 VAL 56 1HG2 VAL 56 -4.035 3.717 -1.648 396 HG23 VAL 56 2HG2 VAL 56 -5.623 3.696 -0.882 397 HA PRO 57 HA PRO 57 -7.252 10.111 -2.947 398 HB2 PRO 57 1HB PRO 57 -8.697 10.591 -0.699 399 HB3 PRO 57 2HB PRO 57 -9.402 9.898 -2.165 400 HG2 PRO 57 1HG PRO 57 -8.496 8.522 0.335 401 HG3 PRO 57 2HG PRO 57 -9.960 8.246 -0.627 402 HD2 PRO 57 1HD PRO 57 -7.777 6.654 -0.808 403 HD3 PRO 57 2HD PRO 57 -8.846 6.971 -2.190 404 H GLY 58 H GLY 58 -5.375 11.172 -2.617 405 HA2 GLY 58 1HA GLY 58 -3.473 10.989 -0.745 406 HA3 GLY 58 2HA GLY 58 -3.952 12.548 -1.397 407 H ALA 59 H ALA 59 -6.492 12.788 -0.275 408 HA ALA 59 HA ALA 59 -6.181 14.108 2.024 409 HB1 ALA 59 3HB ALA 59 -8.333 13.753 0.788 410 HB2 ALA 59 1HB ALA 59 -8.502 12.226 1.654 411 HB3 ALA 59 2HB ALA 59 -8.476 13.748 2.546 412 H ARG 60 H ARG 60 -6.542 10.587 1.816 413 HA ARG 60 HA ARG 60 -5.844 10.396 4.666 414 HB2 ARG 60 1HB ARG 60 -6.790 8.154 4.612 415 HB3 ARG 60 2HB ARG 60 -7.961 9.323 4.016 416 HG2 ARG 60 1HG ARG 60 -7.041 8.664 1.679 417 HG3 ARG 60 2HG ARG 60 -6.449 7.230 2.521 418 HD2 ARG 60 1HD ARG 60 -8.640 6.823 1.531 419 HD3 ARG 60 2HD ARG 60 -8.715 6.742 3.291 420 HE ARG 60 HE ARG 60 -9.894 8.787 1.582 421 HH11 ARG 60 1HH1 ARG 60 -9.180 7.645 4.792 422 HH12 ARG 60 2HH1 ARG 60 -10.355 8.664 5.556 423 HH21 ARG 60 1HH2 ARG 60 -11.444 10.133 2.576 424 HH22 ARG 60 2HH2 ARG 60 -11.642 10.078 4.295 425 H SER 61 H SER 61 -4.129 9.155 5.346 426 HA SER 61 HA SER 61 -2.220 8.406 3.245 427 HB2 SER 61 1HB SER 61 -0.500 8.556 4.977 428 HB3 SER 61 2HB SER 61 -1.443 10.045 4.926 429 HG SER 61 HG SER 61 -1.004 8.546 7.012 430 H HIS 62 H HIS 62 -4.458 6.718 3.936 431 HA HIS 62 HA HIS 62 -3.043 4.258 4.290 432 HB2 HIS 62 1HB HIS 62 -4.452 3.547 6.283 433 HB3 HIS 62 2HB HIS 62 -3.165 4.702 6.618 434 HD1 HIS 62 1HD HIS 62 -4.094 7.326 6.589 435 HD2 HIS 62 2HD HIS 62 -6.825 4.285 7.337 436 HE1 HIS 62 1HE HIS 62 -6.056 8.442 7.699 437 HE2 HIS 62 2HE HIS 62 -7.659 6.570 8.219 438 H VAL 63 H VAL 63 -4.381 2.394 3.918 439 HA VAL 63 HA VAL 63 -7.156 2.726 3.243 440 HB VAL 63 HB VAL 63 -5.966 3.608 1.215 441 HG11 VAL 63 1HG1 VAL 63 -4.637 1.021 1.468 442 HG12 VAL 63 2HG1 VAL 63 -5.237 1.352 -0.158 443 HG13 VAL 63 3HG1 VAL 63 -4.127 2.480 0.621 444 HG21 VAL 63 3HG2 VAL 63 -8.215 2.085 1.411 445 HG22 VAL 63 1HG2 VAL 63 -7.679 2.907 -0.055 446 HG23 VAL 63 2HG2 VAL 63 -7.295 1.203 0.192 447 H THR 64 H THR 64 -8.208 0.727 2.756 448 HA THR 64 HA THR 64 -6.697 -1.597 3.733 449 HB THR 64 HB THR 64 -9.700 -1.379 3.515 450 HG1 THR 64 1HG THR 64 -8.160 -0.969 5.870 451 HG21 THR 64 3HG2 THR 64 -7.782 -3.375 4.527 452 HG22 THR 64 1HG2 THR 64 -9.419 -3.588 3.906 453 HG23 THR 64 2HG2 THR 64 -9.168 -3.058 5.570 454 H LEU 65 H LEU 65 -6.435 -3.386 2.515 455 HA LEU 65 HA LEU 65 -7.518 -3.308 -0.216 456 HB2 LEU 65 1HB LEU 65 -5.227 -4.965 0.823 457 HB3 LEU 65 2HB LEU 65 -5.699 -4.736 -0.860 458 HG LEU 65 HG LEU 65 -4.783 -2.432 0.833 459 HD11 LEU 65 1HD1 LEU 65 -3.212 -4.675 0.178 460 HD12 LEU 65 2HD1 LEU 65 -2.682 -3.131 0.842 461 HD13 LEU 65 3HD1 LEU 65 -2.722 -3.372 -0.904 462 HD21 LEU 65 3HD2 LEU 65 -4.504 -1.311 -1.174 463 HD22 LEU 65 1HD2 LEU 65 -5.962 -2.258 -1.468 464 HD23 LEU 65 2HD2 LEU 65 -4.414 -2.801 -2.114 465 HA PRO 66 HA PRO 66 -10.072 -6.633 1.552 466 HB2 PRO 66 1HB PRO 66 -12.041 -6.380 -0.301 467 HB3 PRO 66 2HB PRO 66 -11.927 -5.345 1.128 468 HG2 PRO 66 1HG PRO 66 -11.063 -4.794 -1.685 469 HG3 PRO 66 2HG PRO 66 -11.909 -3.730 -0.545 470 HD2 PRO 66 1HD PRO 66 -9.249 -3.543 -1.012 471 HD3 PRO 66 2HD PRO 66 -9.970 -3.170 0.567 472 H ASP 67 H ASP 67 -11.242 -8.480 0.298 473 HA ASP 67 HA ASP 67 -11.018 -10.369 -0.951 474 HB2 ASP 67 1HB ASP 67 -11.513 -8.764 -2.782 475 HB3 ASP 67 2HB ASP 67 -9.783 -8.503 -2.988 476 H LEU 68 H LEU 68 -9.180 -10.368 0.911 477 HA LEU 68 HA LEU 68 -6.685 -11.141 -0.454 478 HB2 LEU 68 1HB LEU 68 -7.148 -9.716 2.133 479 HB3 LEU 68 2HB LEU 68 -5.691 -10.680 1.905 480 HG LEU 68 HG LEU 68 -6.524 -8.294 0.256 481 HD11 LEU 68 1HD1 LEU 68 -4.386 -7.369 1.256 482 HD12 LEU 68 2HD1 LEU 68 -4.474 -8.695 2.415 483 HD13 LEU 68 3HD1 LEU 68 -5.771 -7.502 2.339 484 HD21 LEU 68 3HD2 LEU 68 -4.229 -8.548 -0.707 485 HD22 LEU 68 1HD2 LEU 68 -5.364 -9.819 -1.164 486 HD23 LEU 68 2HD2 LEU 68 -4.142 -10.129 0.070 487 H GLN 69 H GLN 69 -5.376 -12.729 0.895 488 HA GLN 69 HA GLN 69 -7.201 -14.816 1.858 489 HB2 GLN 69 1HB GLN 69 -4.495 -14.856 0.582 490 HB3 GLN 69 2HB GLN 69 -4.987 -16.204 1.599 491 HG2 GLN 69 1HG GLN 69 -6.808 -15.276 -0.566 492 HG3 GLN 69 2HG GLN 69 -5.397 -16.249 -0.978 493 HE21 GLN 69 1HE2 GLN 69 -5.312 -18.386 -0.360 494 HE22 GLN 69 2HE2 GLN 69 -6.686 -19.241 0.245 495 H ALA 70 H ALA 70 -6.025 -16.341 3.501 496 HA ALA 70 HA ALA 70 -5.095 -14.617 5.688 497 HB1 ALA 70 3HB ALA 70 -7.152 -16.164 5.872 498 HB2 ALA 70 1HB ALA 70 -5.967 -17.460 6.039 499 HB3 ALA 70 2HB ALA 70 -5.994 -16.132 7.201 500 H ALA 71 H ALA 71 -3.335 -15.267 7.011 501 HA ALA 71 HA ALA 71 -1.185 -15.946 7.335 502 HB1 ALA 71 3HB ALA 71 -0.741 -18.371 6.763 503 HB2 ALA 71 1HB ALA 71 -2.093 -18.062 7.852 504 HB3 ALA 71 2HB ALA 71 -2.395 -18.433 6.154 505 H THR 72 H THR 72 -1.669 -14.443 4.972 506 HA THR 72 HA THR 72 0.673 -15.243 3.440 507 HB THR 72 HB THR 72 -2.031 -14.839 2.151 508 HG1 THR 72 1HG THR 72 -1.316 -16.979 3.036 509 HG21 THR 72 3HG2 THR 72 0.558 -15.375 0.715 510 HG22 THR 72 1HG2 THR 72 -0.043 -13.740 0.985 511 HG23 THR 72 2HG2 THR 72 -0.993 -14.882 0.034 512 H LYS 73 H LYS 73 1.859 -13.461 3.776 513 HA LYS 73 HA LYS 73 0.855 -10.860 4.128 514 HB2 LYS 73 1HB LYS 73 3.064 -10.169 4.260 515 HB3 LYS 73 2HB LYS 73 3.188 -11.869 4.694 516 HG2 LYS 73 1HG LYS 73 3.652 -10.833 1.909 517 HG3 LYS 73 2HG LYS 73 4.933 -11.033 3.106 518 HD2 LYS 73 1HD LYS 73 3.097 -13.287 2.344 519 HD3 LYS 73 2HD LYS 73 4.573 -12.937 1.442 520 HE2 LYS 73 1HE LYS 73 5.937 -13.599 3.152 521 HE3 LYS 73 2HE LYS 73 4.768 -13.164 4.398 522 HZ1 LYS 73 3HZ LYS 73 3.819 -15.283 2.739 523 HZ2 LYS 73 1HZ LYS 73 3.969 -15.221 4.423 524 HZ3 LYS 73 2HZ LYS 73 5.290 -15.683 3.473 525 H TYR 74 H TYR 74 1.711 -9.004 2.652 526 HA TYR 74 HA TYR 74 1.613 -9.632 -0.179 527 HB2 TYR 74 1HB TYR 74 -0.543 -8.070 1.231 528 HB3 TYR 74 2HB TYR 74 -0.225 -7.873 -0.489 529 HD1 TYR 74 2HD TYR 74 -1.293 -10.293 2.095 530 HD2 TYR 74 1HD TYR 74 -0.996 -9.467 -2.068 531 HE1 TYR 74 2HE TYR 74 -2.730 -12.230 1.614 532 HE2 TYR 74 1HE TYR 74 -2.434 -11.401 -2.561 533 HH TYR 74 HH TYR 74 -3.138 -13.477 -1.546 534 H ARG 75 H ARG 75 3.168 -8.474 -1.083 535 HA ARG 75 HA ARG 75 4.494 -6.352 0.216 536 HB2 ARG 75 1HB ARG 75 5.215 -7.975 -1.756 537 HB3 ARG 75 2HB ARG 75 4.659 -6.634 -2.748 538 HG2 ARG 75 1HG ARG 75 6.193 -5.152 -1.418 539 HG3 ARG 75 2HG ARG 75 6.857 -6.621 -0.700 540 HD2 ARG 75 1HD ARG 75 6.736 -6.117 -3.667 541 HD3 ARG 75 2HD ARG 75 8.131 -5.718 -2.666 542 HE ARG 75 HE ARG 75 7.290 -8.449 -2.410 543 HH11 ARG 75 1HH1 ARG 75 9.198 -6.216 -4.278 544 HH12 ARG 75 2HH1 ARG 75 10.268 -7.436 -4.885 545 HH21 ARG 75 1HH2 ARG 75 8.692 -10.064 -3.202 546 HH22 ARG 75 2HH2 ARG 75 9.979 -9.624 -4.273 547 H VAL 76 H VAL 76 3.305 -4.584 0.711 548 HA VAL 76 HA VAL 76 1.581 -3.378 -1.307 549 HB VAL 76 HB VAL 76 2.043 -2.700 1.598 550 HG11 VAL 76 1HG1 VAL 76 1.156 -0.985 -0.445 551 HG12 VAL 76 2HG1 VAL 76 -0.276 -1.447 0.478 552 HG13 VAL 76 3HG1 VAL 76 1.103 -0.712 1.297 553 HG21 VAL 76 3HG2 VAL 76 -0.557 -3.276 1.425 554 HG22 VAL 76 1HG2 VAL 76 0.033 -4.270 0.094 555 HG23 VAL 76 2HG2 VAL 76 0.670 -4.506 1.721 556 H LEU 77 H LEU 77 2.604 -2.153 -2.759 557 HA LEU 77 HA LEU 77 4.814 -0.437 -1.871 558 HB2 LEU 77 1HB LEU 77 4.009 -1.564 -4.523 559 HB3 LEU 77 2HB LEU 77 5.052 -0.146 -4.436 560 HG LEU 77 HG LEU 77 6.429 -1.765 -2.821 561 HD11 LEU 77 1HD1 LEU 77 4.512 -3.487 -4.121 562 HD12 LEU 77 2HD1 LEU 77 5.665 -3.850 -2.838 563 HD13 LEU 77 3HD1 LEU 77 6.167 -3.945 -4.526 564 HD21 LEU 77 3HD2 LEU 77 7.949 -2.016 -4.563 565 HD22 LEU 77 1HD2 LEU 77 7.028 -0.587 -5.033 566 HD23 LEU 77 2HD2 LEU 77 6.681 -2.146 -5.783 567 H VAL 78 H VAL 78 4.347 1.609 -1.454 568 HA VAL 78 HA VAL 78 2.118 2.874 -2.912 569 HB VAL 78 HB VAL 78 3.171 3.635 -0.185 570 HG11 VAL 78 1HG1 VAL 78 2.097 5.545 -0.573 571 HG12 VAL 78 2HG1 VAL 78 1.408 4.929 -2.075 572 HG13 VAL 78 3HG1 VAL 78 0.596 4.621 -0.540 573 HG21 VAL 78 3HG2 VAL 78 1.618 1.432 -0.824 574 HG22 VAL 78 1HG2 VAL 78 1.779 2.177 0.767 575 HG23 VAL 78 2HG2 VAL 78 0.449 2.641 -0.295 576 H SER 79 H SER 79 2.377 4.958 -3.705 577 HA SER 79 HA SER 79 5.009 6.208 -3.450 578 HB2 SER 79 1HB SER 79 3.713 5.750 -6.145 579 HB3 SER 79 2HB SER 79 5.294 6.466 -5.832 580 HG SER 79 HG SER 79 5.659 4.357 -6.360 581 H ALA 80 H ALA 80 4.902 8.365 -3.281 582 HA ALA 80 HA ALA 80 2.309 9.626 -3.271 583 HB1 ALA 80 3HB ALA 80 4.677 11.336 -2.973 584 HB2 ALA 80 1HB ALA 80 3.245 11.185 -1.953 585 HB3 ALA 80 2HB ALA 80 4.558 10.015 -1.811 586 H ILE 81 H ILE 81 1.418 10.769 -4.863 587 HA ILE 81 HA ILE 81 2.995 11.265 -7.275 588 HB ILE 81 HB ILE 81 0.022 11.333 -6.770 589 HG12 ILE 81 1HG1 ILE 81 -0.063 9.406 -8.193 590 HG13 ILE 81 2HG1 ILE 81 1.625 9.599 -8.655 591 HG21 ILE 81 1HG2 ILE 81 1.510 11.964 -9.316 592 HG22 ILE 81 2HG2 ILE 81 -0.238 11.794 -9.164 593 HG23 ILE 81 3HG2 ILE 81 0.595 13.107 -8.332 594 HD11 ILE 81 3HD1 ILE 81 1.106 7.761 -7.013 595 HD12 ILE 81 1HD1 ILE 81 2.383 8.884 -6.547 596 HD13 ILE 81 2HD1 ILE 81 0.776 9.031 -5.835 597 H TYR 82 H TYR 82 3.231 13.278 -8.205 598 HA TYR 82 HA TYR 82 2.163 15.590 -6.755 599 HB2 TYR 82 1HB TYR 82 5.071 15.253 -7.519 600 HB3 TYR 82 2HB TYR 82 4.357 16.711 -6.839 601 HD1 TYR 82 1HD TYR 82 3.634 16.761 -4.490 602 HD2 TYR 82 2HD TYR 82 5.578 13.353 -6.136 603 HE1 TYR 82 1HE TYR 82 4.078 15.925 -2.220 604 HE2 TYR 82 2HE TYR 82 6.026 12.507 -3.871 605 HH TYR 82 HH TYR 82 4.717 14.101 -1.021 606 H ALA 83 H ALA 83 2.654 17.662 -8.021 607 HA ALA 83 HA ALA 83 1.463 17.522 -10.531 608 HB1 ALA 83 3HB ALA 83 2.440 19.551 -8.823 609 HB2 ALA 83 1HB ALA 83 3.114 19.840 -10.427 610 HB3 ALA 83 2HB ALA 83 1.368 19.714 -10.214 611 H ALA 84 H ALA 84 4.899 17.757 -9.675 612 HA ALA 84 HA ALA 84 5.777 17.767 -12.403 613 HB1 ALA 84 3HB ALA 84 8.038 17.474 -11.402 614 HB2 ALA 84 1HB ALA 84 7.144 18.854 -10.765 615 HB3 ALA 84 2HB ALA 84 7.273 17.372 -9.817 616 H GLY 85 H GLY 85 5.727 15.348 -9.795 617 HA2 GLY 85 1HA GLY 85 5.209 13.178 -11.488 618 HA3 GLY 85 2HA GLY 85 6.949 13.272 -11.256 619 H ARG 86 H ARG 86 5.717 11.029 -10.436 620 HA ARG 86 HA ARG 86 5.093 11.262 -7.605 621 HB2 ARG 86 1HB ARG 86 4.681 8.812 -7.758 622 HB3 ARG 86 2HB ARG 86 3.712 9.757 -8.881 623 HG2 ARG 86 1HG ARG 86 4.962 9.062 -10.728 624 HG3 ARG 86 2HG ARG 86 6.296 8.496 -9.721 625 HD2 ARG 86 1HD ARG 86 4.652 6.808 -8.766 626 HD3 ARG 86 2HD ARG 86 3.583 7.256 -10.095 627 HE ARG 86 HE ARG 86 5.911 5.602 -10.241 628 HH11 ARG 86 1HH1 ARG 86 3.913 7.829 -12.022 629 HH12 ARG 86 2HH1 ARG 86 4.344 7.181 -13.570 630 HH21 ARG 86 1HH2 ARG 86 6.487 4.741 -12.274 631 HH22 ARG 86 2HH2 ARG 86 5.807 5.424 -13.712 632 H SER 87 H SER 87 6.285 10.332 -5.947 633 HA SER 87 HA SER 87 9.118 10.216 -6.401 634 HB2 SER 87 1HB SER 87 9.324 10.021 -4.015 635 HB3 SER 87 2HB SER 87 8.042 11.187 -4.339 636 HG SER 87 HG SER 87 7.620 8.438 -3.772 637 H GLU 88 H GLU 88 10.300 8.359 -5.106 638 HA GLU 88 HA GLU 88 10.085 6.029 -6.575 639 HB2 GLU 88 1HB GLU 88 11.628 5.052 -5.069 640 HB3 GLU 88 2HB GLU 88 12.009 6.768 -5.098 641 HG2 GLU 88 1HG GLU 88 11.013 7.123 -2.985 642 HG3 GLU 88 2HG GLU 88 10.267 5.526 -2.992 643 H ALA 89 H ALA 89 9.852 3.800 -5.258 644 HA ALA 89 HA ALA 89 7.184 3.874 -4.004 645 HB1 ALA 89 3HB ALA 89 6.862 1.586 -4.958 646 HB2 ALA 89 1HB ALA 89 6.970 2.872 -6.160 647 HB3 ALA 89 2HB ALA 89 8.354 1.818 -5.869 648 H VAL 90 H VAL 90 7.004 3.014 -2.034 649 HA VAL 90 HA VAL 90 9.318 1.566 -0.945 650 HB VAL 90 HB VAL 90 8.147 2.061 1.286 651 HG11 VAL 90 1HG1 VAL 90 9.249 4.329 -0.369 652 HG12 VAL 90 2HG1 VAL 90 9.118 4.311 1.391 653 HG13 VAL 90 3HG1 VAL 90 10.189 3.173 0.573 654 HG21 VAL 90 3HG2 VAL 90 6.070 2.844 -0.212 655 HG22 VAL 90 1HG2 VAL 90 6.384 3.480 1.403 656 HG23 VAL 90 2HG2 VAL 90 6.884 4.396 -0.018 657 H SER 91 H SER 91 9.159 -0.553 -0.683 658 HA SER 91 HA SER 91 6.550 -1.835 -0.832 659 HB2 SER 91 1HB SER 91 9.213 -3.232 -0.592 660 HB3 SER 91 2HB SER 91 7.708 -3.858 -1.266 661 HG SER 91 HG SER 91 8.405 -1.641 -2.585 662 H ALA 92 H ALA 92 6.124 -3.699 0.651 663 HA ALA 92 HA ALA 92 7.396 -3.899 3.166 664 HB1 ALA 92 3HB ALA 92 5.245 -3.011 4.398 665 HB2 ALA 92 1HB ALA 92 6.555 -1.920 3.945 666 HB3 ALA 92 2HB ALA 92 5.102 -2.017 2.949 667 H THR 93 H THR 93 6.920 -5.837 3.986 668 HA THR 93 HA THR 93 4.654 -7.298 2.842 669 HB THR 93 HB THR 93 5.762 -9.307 3.889 670 HG1 THR 93 1HG THR 93 7.164 -8.656 5.379 671 HG21 THR 93 3HG2 THR 93 6.174 -9.158 1.618 672 HG22 THR 93 1HG2 THR 93 7.811 -9.129 2.274 673 HG23 THR 93 2HG2 THR 93 7.036 -7.627 1.767 674 H GLY 94 H GLY 94 3.027 -8.171 4.060 675 HA2 GLY 94 1HA GLY 94 3.160 -7.991 6.970 676 HA3 GLY 94 2HA GLY 94 1.920 -7.027 6.180 677 H GLN 95 H GLN 95 2.834 -10.142 7.273 678 HA GLN 95 HA GLN 95 1.202 -11.840 5.829 679 HB2 GLN 95 1HB GLN 95 2.824 -12.621 7.489 680 HB3 GLN 95 2HB GLN 95 1.837 -11.955 8.783 681 HG2 GLN 95 1HG GLN 95 0.153 -13.553 8.474 682 HG3 GLN 95 2HG GLN 95 0.782 -14.032 6.898 683 HE21 GLN 95 1HE2 GLN 95 0.247 -15.448 9.531 684 HE22 GLN 95 2HE2 GLN 95 1.701 -16.332 9.828 685 H THR 96 H THR 96 -0.925 -12.180 5.676 686 HA THR 96 HA THR 96 -2.777 -10.353 6.761 687 HB THR 96 HB THR 96 -4.510 -12.025 5.942 688 HG1 THR 96 1HG THR 96 -3.451 -13.618 4.463 689 HG21 THR 96 3HG2 THR 96 -3.324 -11.793 3.478 690 HG22 THR 96 1HG2 THR 96 -2.543 -10.508 4.398 691 HG23 THR 96 2HG2 THR 96 -4.300 -10.551 4.261 692 H ALA 97 H ALA 97 -4.913 -11.512 7.751 693 HA ALA 97 HA ALA 97 -4.073 -12.349 10.384 694 HB1 ALA 97 3HB ALA 97 -6.408 -11.146 9.221 695 HB2 ALA 97 1HB ALA 97 -6.863 -12.530 10.217 696 HB3 ALA 97 2HB ALA 97 -5.909 -11.218 10.911 697 H CYS 98 H CYS 98 -3.821 -14.384 11.005 698 HA CYS 98 HA CYS 98 -4.706 -16.546 9.293 699 HB2 CYS 98 1HB CYS 98 -2.473 -16.694 10.211 700 HB3 CYS 98 2HB CYS 98 -3.092 -16.522 11.849 701 HG CYS 98 HG CYS 98 -2.740 -19.089 12.074 702 HA PRO 99 HA PRO 99 -8.429 -17.351 11.519 703 HB2 PRO 99 1HB PRO 99 -8.874 -19.871 10.614 704 HB3 PRO 99 2HB PRO 99 -9.139 -18.433 9.621 705 HG2 PRO 99 1HG PRO 99 -6.804 -20.306 9.657 706 HG3 PRO 99 2HG PRO 99 -7.642 -19.589 8.268 707 HD2 PRO 99 1HD PRO 99 -5.293 -18.625 9.207 708 HD3 PRO 99 2HD PRO 99 -6.527 -17.583 8.469 709 H SER 100 H SER 100 -6.016 -19.977 11.452 710 HA SER 100 HA SER 100 -6.106 -20.188 14.332 711 HB2 SER 100 1HB SER 100 -6.674 -22.602 14.329 712 HB3 SER 100 2HB SER 100 -8.002 -21.603 13.738 713 HG SER 100 HG SER 100 -7.448 -22.183 11.634 714 H GLY 101 H GLY 101 -4.207 -20.896 15.150 715 HA2 GLY 101 1HA GLY 101 -2.125 -21.587 13.203 716 HA3 GLY 101 2HA GLY 101 -1.856 -21.013 14.842 717 HA PRO 102 HA PRO 102 -1.859 -25.802 14.397 718 HB2 PRO 102 1HB PRO 102 0.771 -26.267 13.911 719 HB3 PRO 102 2HB PRO 102 -0.424 -26.072 12.623 720 HG2 PRO 102 1HG PRO 102 1.519 -24.078 13.723 721 HG3 PRO 102 2HG PRO 102 1.083 -24.401 12.035 722 HD2 PRO 102 1HD PRO 102 0.065 -22.315 13.429 723 HD3 PRO 102 2HD PRO 102 -0.854 -23.159 12.166 724 H SER 103 H SER 103 -2.259 -25.563 16.649 725 HA SER 103 HA SER 103 0.151 -25.913 18.279 726 HB2 SER 103 1HB SER 103 -0.367 -23.606 18.650 727 HB3 SER 103 2HB SER 103 -2.085 -23.957 18.836 728 HG SER 103 HG SER 103 -0.698 -23.647 20.808 729 H SER 104 H SER 104 0.004 -27.682 19.478 730 HA SER 104 HA SER 104 -2.637 -28.888 19.886 731 HB2 SER 104 1HB SER 104 0.136 -29.953 19.666 732 HB3 SER 104 2HB SER 104 -0.994 -30.834 20.695 733 HG SER 104 HG SER 104 -0.792 -31.022 18.115 734 H GLY 105 H GLY 105 -3.540 -28.171 21.722 735 HA2 GLY 105 1HA GLY 105 -2.399 -28.888 24.233 736 HA3 GLY 105 2HA GLY 105 -2.282 -27.155 23.964 Start of MODEL 10 1 H1 GLY 1 H GLY 1 26.355 18.120 -5.599 2 HA2 GLY 1 1HA GLY 1 25.618 20.956 -5.233 3 HA3 GLY 1 2HA GLY 1 25.852 20.266 -6.832 4 H SER 2 H SER 2 24.148 19.397 -7.838 5 HA SER 2 HA SER 2 21.697 19.005 -6.250 6 HB2 SER 2 1HB SER 2 22.077 19.913 -9.105 7 HB3 SER 2 2HB SER 2 20.516 19.387 -8.474 8 HG SER 2 HG SER 2 22.020 21.666 -7.853 9 H SER 3 H SER 3 21.460 16.898 -5.862 10 HA SER 3 HA SER 3 21.394 15.070 -8.132 11 HB2 SER 3 1HB SER 3 23.099 14.599 -5.676 12 HB3 SER 3 2HB SER 3 22.743 13.376 -6.895 13 HG SER 3 HG SER 3 24.674 15.165 -6.930 14 H GLY 4 H GLY 4 20.127 13.207 -7.788 15 HA2 GLY 4 1HA GLY 4 18.653 11.816 -6.621 16 HA3 GLY 4 2HA GLY 4 18.816 12.860 -5.216 17 H SER 5 H SER 5 16.440 12.479 -5.164 18 HA SER 5 HA SER 5 14.800 13.697 -7.167 19 HB2 SER 5 1HB SER 5 14.035 12.905 -4.348 20 HB3 SER 5 2HB SER 5 12.940 13.176 -5.704 21 HG SER 5 HG SER 5 14.732 11.052 -5.260 22 H SER 6 H SER 6 13.706 15.636 -7.107 23 HA SER 6 HA SER 6 14.390 17.479 -4.917 24 HB2 SER 6 1HB SER 6 14.313 18.244 -7.844 25 HB3 SER 6 2HB SER 6 14.765 19.280 -6.490 26 HG SER 6 HG SER 6 16.635 18.185 -6.257 27 H GLY 7 H GLY 7 12.458 17.617 -3.915 28 HA2 GLY 7 1HA GLY 7 10.408 18.783 -3.706 29 HA3 GLY 7 2HA GLY 7 10.257 18.781 -5.457 30 H ARG 8 H ARG 8 11.084 15.888 -3.698 31 HA ARG 8 HA ARG 8 8.347 14.920 -3.708 32 HB2 ARG 8 1HB ARG 8 10.514 13.648 -5.386 33 HB3 ARG 8 2HB ARG 8 8.980 12.877 -5.005 34 HG2 ARG 8 1HG ARG 8 7.781 14.637 -6.172 35 HG3 ARG 8 2HG ARG 8 9.303 15.461 -6.515 36 HD2 ARG 8 1HD ARG 8 8.889 12.623 -7.367 37 HD3 ARG 8 2HD ARG 8 8.232 13.946 -8.329 38 HE ARG 8 HE ARG 8 10.807 14.671 -8.004 39 HH11 ARG 8 1HH1 ARG 8 9.297 11.717 -9.060 40 HH12 ARG 8 2HH1 ARG 8 10.607 11.267 -10.102 41 HH21 ARG 8 1HH2 ARG 8 12.537 14.089 -9.371 42 HH22 ARG 8 2HH2 ARG 8 12.450 12.617 -10.277 43 H SER 9 H SER 9 7.985 13.324 -2.225 44 HA SER 9 HA SER 9 10.269 12.036 -0.938 45 HB2 SER 9 1HB SER 9 9.687 14.172 0.310 46 HB3 SER 9 2HB SER 9 8.148 13.413 0.715 47 HG SER 9 HG SER 9 10.578 13.048 1.832 48 HA PRO 10 HA PRO 10 7.332 8.713 -1.402 49 HB2 PRO 10 1HB PRO 10 8.970 6.773 -0.440 50 HB3 PRO 10 2HB PRO 10 9.119 7.434 -2.073 51 HG2 PRO 10 1HG PRO 10 10.688 8.098 0.389 52 HG3 PRO 10 2HG PRO 10 11.261 7.850 -1.271 53 HD2 PRO 10 1HD PRO 10 10.910 10.314 -0.203 54 HD3 PRO 10 2HD PRO 10 10.664 9.977 -1.928 55 HA PRO 11 HA PRO 11 5.563 8.274 2.606 56 HB2 PRO 11 1HB PRO 11 4.326 5.872 2.341 57 HB3 PRO 11 2HB PRO 11 3.742 7.345 1.558 58 HG2 PRO 11 1HG PRO 11 5.375 5.112 0.414 59 HG3 PRO 11 2HG PRO 11 3.999 5.973 -0.302 60 HD2 PRO 11 1HD PRO 11 6.567 6.526 -0.962 61 HD3 PRO 11 2HD PRO 11 5.296 7.765 -0.949 62 H SER 12 H SER 12 6.522 7.777 4.466 63 HA SER 12 HA SER 12 8.099 5.291 4.617 64 HB2 SER 12 1HB SER 12 8.512 7.795 6.264 65 HB3 SER 12 2HB SER 12 9.559 6.378 6.202 66 HG SER 12 HG SER 12 10.451 7.145 4.464 67 H ASN 13 H ASN 13 8.433 4.723 7.090 68 HA ASN 13 HA ASN 13 7.503 3.873 8.983 69 HB2 ASN 13 1HB ASN 13 5.790 6.315 8.575 70 HB3 ASN 13 2HB ASN 13 5.499 5.208 9.914 71 HD21 ASN 13 1HD2 ASN 13 6.790 8.041 9.289 72 HD22 ASN 13 2HD2 ASN 13 8.110 8.068 10.404 73 H LEU 14 H LEU 14 6.713 2.824 6.435 74 HA LEU 14 HA LEU 14 3.981 2.388 6.139 75 HB2 LEU 14 1HB LEU 14 6.445 0.969 5.297 76 HB3 LEU 14 2HB LEU 14 4.924 0.087 5.187 77 HG LEU 14 HG LEU 14 5.493 2.728 3.844 78 HD11 LEU 14 1HD1 LEU 14 6.839 1.176 2.728 79 HD12 LEU 14 2HD1 LEU 14 5.359 1.242 1.772 80 HD13 LEU 14 3HD1 LEU 14 5.639 -0.107 2.873 81 HD21 LEU 14 3HD2 LEU 14 3.163 2.543 4.247 82 HD22 LEU 14 1HD2 LEU 14 3.147 0.844 3.775 83 HD23 LEU 14 2HD2 LEU 14 3.421 2.093 2.560 84 H ALA 15 H ALA 15 2.528 1.292 7.279 85 HA ALA 15 HA ALA 15 3.454 -0.852 9.070 86 HB1 ALA 15 3HB ALA 15 2.554 0.062 10.909 87 HB2 ALA 15 1HB ALA 15 2.648 1.572 10.003 88 HB3 ALA 15 2HB ALA 15 1.139 0.659 10.043 89 H LEU 16 H LEU 16 2.614 -2.670 8.285 90 HA LEU 16 HA LEU 16 -0.008 -2.623 6.996 91 HB2 LEU 16 1HB LEU 16 2.354 -4.399 6.928 92 HB3 LEU 16 2HB LEU 16 0.783 -5.173 6.732 93 HG LEU 16 HG LEU 16 0.333 -3.670 4.813 94 HD11 LEU 16 1HD1 LEU 16 3.140 -2.762 5.392 95 HD12 LEU 16 2HD1 LEU 16 1.679 -1.784 5.264 96 HD13 LEU 16 3HD1 LEU 16 2.362 -2.539 3.824 97 HD21 LEU 16 3HD2 LEU 16 1.052 -5.775 4.158 98 HD22 LEU 16 1HD2 LEU 16 2.670 -5.540 4.822 99 HD23 LEU 16 2HD2 LEU 16 2.194 -4.704 3.343 100 H ALA 17 H ALA 17 -1.750 -3.065 8.157 101 HA ALA 17 HA ALA 17 -1.477 -4.835 10.498 102 HB1 ALA 17 3HB ALA 17 -3.552 -2.695 10.047 103 HB2 ALA 17 1HB ALA 17 -3.346 -3.676 11.498 104 HB3 ALA 17 2HB ALA 17 -2.104 -2.511 11.036 105 H SER 18 H SER 18 -2.591 -6.683 10.521 106 HA SER 18 HA SER 18 -4.583 -7.113 8.397 107 HB2 SER 18 1HB SER 18 -2.684 -8.611 8.197 108 HB3 SER 18 2HB SER 18 -2.850 -9.101 9.883 109 HG SER 18 HG SER 18 -4.968 -9.436 8.051 110 H GLU 19 H GLU 19 -6.538 -6.696 9.237 111 HA GLU 19 HA GLU 19 -7.167 -7.627 11.939 112 HB2 GLU 19 1HB GLU 19 -8.867 -6.062 12.007 113 HB3 GLU 19 2HB GLU 19 -7.687 -5.253 10.985 114 HG2 GLU 19 1HG GLU 19 -8.904 -5.861 9.006 115 HG3 GLU 19 2HG GLU 19 -10.030 -6.832 9.953 116 H THR 20 H THR 20 -7.682 -8.413 8.650 117 HA THR 20 HA THR 20 -9.202 -10.749 9.379 118 HB THR 20 HB THR 20 -11.114 -9.392 9.216 119 HG1 THR 20 1HG THR 20 -11.349 -10.034 6.584 120 HG21 THR 20 3HG2 THR 20 -10.396 -8.257 6.552 121 HG22 THR 20 1HG2 THR 20 -9.678 -7.550 8.000 122 HG23 THR 20 2HG2 THR 20 -11.432 -7.594 7.816 123 HA PRO 21 HA PRO 21 -7.009 -12.343 5.913 124 HB2 PRO 21 1HB PRO 21 -8.536 -14.524 5.379 125 HB3 PRO 21 2HB PRO 21 -7.454 -14.426 6.774 126 HG2 PRO 21 1HG PRO 21 -10.413 -13.995 6.638 127 HG3 PRO 21 2HG PRO 21 -9.466 -14.874 7.852 128 HD2 PRO 21 1HD PRO 21 -10.372 -12.355 8.257 129 HD3 PRO 21 2HD PRO 21 -8.848 -12.945 8.951 130 H ASP 22 H ASP 22 -9.832 -10.729 5.662 131 HA ASP 22 HA ASP 22 -10.211 -11.355 2.813 132 HB2 ASP 22 1HB ASP 22 -12.125 -9.610 4.288 133 HB3 ASP 22 2HB ASP 22 -12.428 -10.772 2.999 134 H SER 23 H SER 23 -9.226 -8.912 5.046 135 HA SER 23 HA SER 23 -8.527 -7.169 2.813 136 HB2 SER 23 1HB SER 23 -9.408 -5.174 4.048 137 HB3 SER 23 2HB SER 23 -10.667 -6.273 3.485 138 HG SER 23 HG SER 23 -9.578 -6.296 6.105 139 H LEU 24 H LEU 24 -6.830 -5.712 3.266 140 HA LEU 24 HA LEU 24 -5.433 -6.186 5.814 141 HB2 LEU 24 1HB LEU 24 -4.424 -7.386 3.854 142 HB3 LEU 24 2HB LEU 24 -4.092 -5.808 3.144 143 HG LEU 24 HG LEU 24 -2.798 -5.389 5.371 144 HD11 LEU 24 1HD1 LEU 24 -2.328 -8.325 5.267 145 HD12 LEU 24 2HD1 LEU 24 -3.722 -7.717 6.159 146 HD13 LEU 24 3HD1 LEU 24 -2.097 -7.188 6.596 147 HD21 LEU 24 3HD2 LEU 24 -2.101 -6.296 2.803 148 HD22 LEU 24 1HD2 LEU 24 -1.130 -7.227 3.944 149 HD23 LEU 24 2HD2 LEU 24 -1.076 -5.464 3.973 150 H GLN 25 H GLN 25 -5.238 -4.373 6.934 151 HA GLN 25 HA GLN 25 -5.628 -1.803 5.691 152 HB2 GLN 25 1HB GLN 25 -6.274 -2.706 8.118 153 HB3 GLN 25 2HB GLN 25 -4.703 -2.020 8.510 154 HG2 GLN 25 1HG GLN 25 -5.400 0.109 8.217 155 HG3 GLN 25 2HG GLN 25 -6.538 -0.320 6.940 156 HE21 GLN 25 1HE2 GLN 25 -8.337 -1.852 7.840 157 HE22 GLN 25 2HE2 GLN 25 -9.106 -1.283 9.279 158 H VAL 26 H VAL 26 -4.139 -0.210 5.358 159 HA VAL 26 HA VAL 26 -1.385 -0.614 6.228 160 HB VAL 26 HB VAL 26 -1.337 -1.701 4.089 161 HG11 VAL 26 1HG1 VAL 26 -3.370 -0.784 3.133 162 HG12 VAL 26 2HG1 VAL 26 -2.609 0.802 2.985 163 HG13 VAL 26 3HG1 VAL 26 -2.019 -0.555 2.024 164 HG21 VAL 26 3HG2 VAL 26 -0.095 0.486 2.880 165 HG22 VAL 26 1HG2 VAL 26 0.083 0.751 4.614 166 HG23 VAL 26 2HG2 VAL 26 0.664 -0.747 3.887 167 H SER 27 H SER 27 -0.522 1.242 6.892 168 HA SER 27 HA SER 27 -1.631 3.762 5.845 169 HB2 SER 27 1HB SER 27 -2.458 3.276 8.148 170 HB3 SER 27 2HB SER 27 -0.787 3.268 8.711 171 HG SER 27 HG SER 27 -2.147 5.315 8.807 172 H TRP 28 H TRP 28 -0.084 5.636 6.729 173 HA TRP 28 HA TRP 28 2.675 5.068 6.960 174 HB2 TRP 28 1HB TRP 28 3.379 5.988 4.733 175 HB3 TRP 28 2HB TRP 28 2.590 4.415 4.652 176 HD1 TRP 28 HD TRP 28 1.924 8.125 3.872 177 HE1 TRP 28 1HE TRP 28 0.017 8.259 2.149 178 HE3 TRP 28 3HE TRP 28 0.627 3.182 3.711 179 HZ2 TRP 28 2HZ TRP 28 -1.798 6.502 0.889 180 HZ3 TRP 28 3HZ TRP 28 -1.205 2.492 2.221 181 HH2 TRP 28 HH TRP 28 -2.392 4.119 0.840 182 H THR 29 H THR 29 4.002 7.146 6.514 183 HA THR 29 HA THR 29 2.489 9.368 7.678 184 HB THR 29 HB THR 29 5.458 8.837 7.522 185 HG1 THR 29 1HG THR 29 4.437 7.699 9.172 186 HG21 THR 29 3HG2 THR 29 4.998 10.970 9.263 187 HG22 THR 29 1HG2 THR 29 4.048 11.341 7.826 188 HG23 THR 29 2HG2 THR 29 5.780 11.039 7.684 189 HA PRO 30 HA PRO 30 2.592 11.173 3.570 190 HB2 PRO 30 1HB PRO 30 1.004 13.284 4.201 191 HB3 PRO 30 2HB PRO 30 0.369 11.667 3.875 192 HG2 PRO 30 1HG PRO 30 0.891 13.003 6.503 193 HG3 PRO 30 2HG PRO 30 -0.500 12.023 6.003 194 HD2 PRO 30 1HD PRO 30 1.511 11.031 7.521 195 HD3 PRO 30 2HD PRO 30 0.614 10.036 6.356 196 HA PRO 31 HA PRO 31 5.874 14.077 4.249 197 HB2 PRO 31 1HB PRO 31 6.032 15.020 1.708 198 HB3 PRO 31 2HB PRO 31 6.651 13.435 2.185 199 HG2 PRO 31 1HG PRO 31 4.066 14.135 0.848 200 HG3 PRO 31 2HG PRO 31 5.185 12.806 0.493 201 HD2 PRO 31 1HD PRO 31 2.914 12.455 1.925 202 HD3 PRO 31 2HD PRO 31 4.384 11.503 2.218 203 H LEU 32 H LEU 32 6.191 16.452 2.960 204 HA LEU 32 HA LEU 32 4.031 18.041 4.112 205 HB2 LEU 32 1HB LEU 32 6.127 18.780 4.837 206 HB3 LEU 32 2HB LEU 32 6.831 18.639 3.227 207 HG LEU 32 HG LEU 32 5.353 20.574 2.547 208 HD11 LEU 32 1HD1 LEU 32 4.037 21.660 4.006 209 HD12 LEU 32 2HD1 LEU 32 5.168 21.455 5.343 210 HD13 LEU 32 3HD1 LEU 32 4.083 20.138 4.897 211 HD21 LEU 32 3HD2 LEU 32 6.972 21.835 4.563 212 HD22 LEU 32 1HD2 LEU 32 7.192 21.790 2.814 213 HD23 LEU 32 2HD2 LEU 32 7.844 20.494 3.818 214 H GLY 33 H GLY 33 5.845 17.792 1.057 215 HA2 GLY 33 1HA GLY 33 4.492 19.707 -0.417 216 HA3 GLY 33 2HA GLY 33 5.218 18.260 -1.101 217 H ARG 34 H ARG 34 2.842 19.541 -2.028 218 HA ARG 34 HA ARG 34 0.541 18.135 -1.103 219 HB2 ARG 34 1HB ARG 34 0.300 20.306 -2.153 220 HB3 ARG 34 2HB ARG 34 1.032 19.707 -3.636 221 HG2 ARG 34 1HG ARG 34 -1.316 19.827 -3.977 222 HG3 ARG 34 2HG ARG 34 -0.880 18.122 -3.853 223 HD2 ARG 34 1HD ARG 34 -2.766 18.252 -2.519 224 HD3 ARG 34 2HD ARG 34 -1.460 18.412 -1.346 225 HE ARG 34 HE ARG 34 -2.425 20.926 -2.346 226 HH11 ARG 34 1HH1 ARG 34 -2.892 18.421 0.026 227 HH12 ARG 34 2HH1 ARG 34 -3.708 19.457 1.150 228 HH21 ARG 34 1HH2 ARG 34 -3.497 22.300 -0.874 229 HH22 ARG 34 2HH2 ARG 34 -4.052 21.663 0.637 230 H VAL 35 H VAL 35 -0.029 16.115 -1.534 231 HA VAL 35 HA VAL 35 1.193 14.769 -3.848 232 HB VAL 35 HB VAL 35 0.066 13.603 -1.301 233 HG11 VAL 35 1HG1 VAL 35 -0.189 11.668 -2.356 234 HG12 VAL 35 2HG1 VAL 35 0.308 12.420 -3.873 235 HG13 VAL 35 3HG1 VAL 35 1.514 11.690 -2.812 236 HG21 VAL 35 3HG2 VAL 35 2.634 12.732 -1.529 237 HG22 VAL 35 1HG2 VAL 35 2.748 14.352 -2.215 238 HG23 VAL 35 2HG2 VAL 35 2.127 14.129 -0.579 239 H LEU 36 H LEU 36 -0.235 15.150 -5.481 240 HA LEU 36 HA LEU 36 -2.907 15.456 -5.524 241 HB2 LEU 36 1HB LEU 36 -1.400 13.703 -7.457 242 HB3 LEU 36 2HB LEU 36 -2.944 14.498 -7.756 243 HG LEU 36 HG LEU 36 -0.355 15.961 -7.257 244 HD11 LEU 36 1HD1 LEU 36 -0.484 14.522 -9.366 245 HD12 LEU 36 2HD1 LEU 36 -0.083 16.228 -9.561 246 HD13 LEU 36 3HD1 LEU 36 -1.715 15.660 -9.913 247 HD21 LEU 36 3HD2 LEU 36 -1.495 17.915 -7.777 248 HD22 LEU 36 1HD2 LEU 36 -2.658 17.030 -6.791 249 HD23 LEU 36 2HD2 LEU 36 -2.828 17.053 -8.547 250 H HIS 37 H HIS 37 -1.380 12.246 -5.850 251 HA HIS 37 HA HIS 37 -3.480 11.063 -4.240 252 HB2 HIS 37 1HB HIS 37 -3.940 9.319 -6.010 253 HB3 HIS 37 2HB HIS 37 -4.571 10.926 -6.357 254 HD1 HIS 37 1HD HIS 37 -2.505 8.287 -7.762 255 HD2 HIS 37 2HD HIS 37 -2.907 12.390 -8.275 256 HE1 HIS 37 1HE HIS 37 -1.395 8.802 -9.959 257 HE2 HIS 37 2HE HIS 37 -1.575 11.302 -10.207 258 H TYR 38 H TYR 38 -3.039 8.799 -3.713 259 HA TYR 38 HA TYR 38 -0.146 8.285 -3.702 260 HB2 TYR 38 1HB TYR 38 -2.362 7.416 -1.849 261 HB3 TYR 38 2HB TYR 38 -0.754 6.701 -1.799 262 HD1 TYR 38 2HD TYR 38 1.182 8.618 -1.802 263 HD2 TYR 38 1HD TYR 38 -2.771 9.055 -0.291 264 HE1 TYR 38 2HE TYR 38 1.950 10.438 -0.335 265 HE2 TYR 38 1HE TYR 38 -2.014 10.877 1.179 266 HH TYR 38 HH TYR 38 1.143 12.274 0.896 267 H TRP 39 H TRP 39 0.217 7.146 -5.547 268 HA TRP 39 HA TRP 39 -1.496 5.158 -6.589 269 HB2 TRP 39 1HB TRP 39 0.288 6.394 -7.865 270 HB3 TRP 39 2HB TRP 39 1.483 5.390 -7.047 271 HD1 TRP 39 HD TRP 39 2.253 3.455 -8.514 272 HE1 TRP 39 1HE TRP 39 1.198 1.968 -10.330 273 HE3 TRP 39 3HE TRP 39 -2.449 5.460 -8.573 274 HZ2 TRP 39 2HZ TRP 39 -1.297 1.683 -11.619 275 HZ3 TRP 39 3HZ TRP 39 -4.111 4.523 -10.127 276 HH2 TRP 39 HH TRP 39 -3.545 2.674 -11.618 277 H LEU 40 H LEU 40 -2.047 3.516 -5.255 278 HA LEU 40 HA LEU 40 0.052 2.101 -3.789 279 HB2 LEU 40 1HB LEU 40 -2.337 2.856 -2.929 280 HB3 LEU 40 2HB LEU 40 -2.809 1.310 -3.631 281 HG LEU 40 HG LEU 40 -0.515 1.345 -1.737 282 HD11 LEU 40 1HD1 LEU 40 -2.391 0.938 0.047 283 HD12 LEU 40 2HD1 LEU 40 -3.343 1.957 -1.033 284 HD13 LEU 40 3HD1 LEU 40 -1.845 2.571 -0.333 285 HD21 LEU 40 3HD2 LEU 40 -2.265 -0.562 -2.976 286 HD22 LEU 40 1HD2 LEU 40 -2.357 -0.705 -1.221 287 HD23 LEU 40 2HD2 LEU 40 -0.798 -0.836 -2.035 288 H THR 41 H THR 41 0.527 -0.050 -4.093 289 HA THR 41 HA THR 41 -0.906 -1.542 -6.151 290 HB THR 41 HB THR 41 1.390 -2.238 -7.107 291 HG1 THR 41 1HG THR 41 3.063 -0.887 -6.729 292 HG21 THR 41 3HG2 THR 41 0.608 -1.068 -8.832 293 HG22 THR 41 1HG2 THR 41 1.229 0.415 -8.107 294 HG23 THR 41 2HG2 THR 41 -0.411 -0.125 -7.744 295 H TYR 42 H TYR 42 -1.456 -3.330 -5.089 296 HA TYR 42 HA TYR 42 0.538 -4.587 -3.323 297 HB2 TYR 42 1HB TYR 42 -1.314 -5.609 -2.127 298 HB3 TYR 42 2HB TYR 42 -1.547 -3.866 -2.200 299 HD1 TYR 42 1HD TYR 42 -3.128 -2.958 -3.999 300 HD2 TYR 42 2HD TYR 42 -2.983 -7.062 -2.884 301 HE1 TYR 42 1HE TYR 42 -5.365 -3.294 -4.966 302 HE2 TYR 42 2HE TYR 42 -5.219 -7.409 -3.849 303 HH TYR 42 HH TYR 42 -7.312 -5.003 -4.551 304 H ALA 43 H ALA 43 0.875 -6.816 -3.438 305 HA ALA 43 HA ALA 43 -0.531 -8.572 -5.134 306 HB1 ALA 43 3HB ALA 43 0.382 -8.303 -7.138 307 HB2 ALA 43 1HB ALA 43 1.220 -6.877 -6.525 308 HB3 ALA 43 2HB ALA 43 2.005 -8.456 -6.465 309 HA PRO 44 HA PRO 44 1.784 -11.604 -2.967 310 HB2 PRO 44 1HB PRO 44 2.168 -13.556 -4.814 311 HB3 PRO 44 2HB PRO 44 0.593 -13.217 -4.088 312 HG2 PRO 44 1HG PRO 44 1.679 -12.359 -6.743 313 HG3 PRO 44 2HG PRO 44 0.064 -12.970 -6.339 314 HD2 PRO 44 1HD PRO 44 0.583 -10.333 -6.674 315 HD3 PRO 44 2HD PRO 44 -0.645 -10.928 -5.538 316 H ALA 45 H ALA 45 3.791 -10.982 -2.373 317 HA ALA 45 HA ALA 45 5.886 -10.160 -3.962 318 HB1 ALA 45 3HB ALA 45 6.972 -9.963 -2.025 319 HB2 ALA 45 1HB ALA 45 5.502 -10.574 -1.264 320 HB3 ALA 45 2HB ALA 45 6.813 -11.683 -1.667 321 H SER 46 H SER 46 5.040 -13.447 -2.973 322 HA SER 46 HA SER 46 7.246 -14.859 -3.778 323 HB2 SER 46 1HB SER 46 5.380 -16.613 -4.524 324 HB3 SER 46 2HB SER 46 5.682 -16.246 -2.826 325 HG SER 46 HG SER 46 3.851 -14.649 -4.198 326 H GLY 47 H GLY 47 4.723 -13.457 -5.782 327 HA2 GLY 47 1HA GLY 47 4.877 -12.865 -8.025 328 HA3 GLY 47 2HA GLY 47 6.432 -13.680 -8.106 329 H LEU 48 H LEU 48 3.003 -14.523 -7.591 330 HA LEU 48 HA LEU 48 3.328 -16.649 -9.594 331 HB2 LEU 48 1HB LEU 48 1.562 -17.850 -8.044 332 HB3 LEU 48 2HB LEU 48 3.298 -18.017 -7.784 333 HG LEU 48 HG LEU 48 2.979 -16.042 -6.125 334 HD11 LEU 48 1HD1 LEU 48 0.186 -17.164 -6.110 335 HD12 LEU 48 2HD1 LEU 48 0.625 -15.633 -6.865 336 HD13 LEU 48 3HD1 LEU 48 0.826 -15.848 -5.126 337 HD21 LEU 48 3HD2 LEU 48 3.128 -18.772 -5.863 338 HD22 LEU 48 1HD2 LEU 48 1.695 -18.364 -4.920 339 HD23 LEU 48 2HD2 LEU 48 3.241 -17.601 -4.548 340 H GLY 49 H GLY 49 1.956 -13.843 -9.122 341 HA2 GLY 49 1HA GLY 49 -0.344 -14.500 -10.774 342 HA3 GLY 49 2HA GLY 49 -0.718 -13.811 -9.201 343 HA PRO 50 HA PRO 50 -0.064 -10.423 -12.378 344 HB2 PRO 50 1HB PRO 50 -2.514 -9.288 -12.092 345 HB3 PRO 50 2HB PRO 50 -2.186 -10.590 -13.242 346 HG2 PRO 50 1HG PRO 50 -3.426 -10.734 -10.521 347 HG3 PRO 50 2HG PRO 50 -3.909 -11.557 -12.016 348 HD2 PRO 50 1HD PRO 50 -2.486 -12.789 -10.069 349 HD3 PRO 50 2HD PRO 50 -2.296 -13.188 -11.788 350 H GLU 51 H GLU 51 -0.575 -7.996 -11.938 351 HA GLU 51 HA GLU 51 -0.029 -7.470 -9.091 352 HB2 GLU 51 1HB GLU 51 1.735 -6.967 -10.956 353 HB3 GLU 51 2HB GLU 51 0.727 -5.562 -11.274 354 HG2 GLU 51 1HG GLU 51 1.260 -4.552 -9.299 355 HG3 GLU 51 2HG GLU 51 1.573 -6.079 -8.475 356 H LYS 52 H LYS 52 -1.516 -6.360 -8.022 357 HA LYS 52 HA LYS 52 -3.663 -5.055 -9.502 358 HB2 LYS 52 1HB LYS 52 -3.314 -5.786 -6.596 359 HB3 LYS 52 2HB LYS 52 -4.670 -4.827 -7.177 360 HG2 LYS 52 1HG LYS 52 -4.027 -7.539 -8.292 361 HG3 LYS 52 2HG LYS 52 -5.063 -7.310 -6.880 362 HD2 LYS 52 1HD LYS 52 -6.710 -6.221 -8.112 363 HD3 LYS 52 2HD LYS 52 -5.598 -5.818 -9.423 364 HE2 LYS 52 1HE LYS 52 -7.037 -7.547 -10.209 365 HE3 LYS 52 2HE LYS 52 -5.451 -8.264 -9.933 366 HZ1 LYS 52 3HZ LYS 52 -7.681 -9.354 -9.044 367 HZ2 LYS 52 1HZ LYS 52 -7.341 -8.361 -7.717 368 HZ3 LYS 52 2HZ LYS 52 -6.209 -9.510 -8.225 369 H SER 53 H SER 53 -4.539 -2.996 -8.352 370 HA SER 53 HA SER 53 -2.652 -1.277 -7.088 371 HB2 SER 53 1HB SER 53 -2.493 0.388 -8.941 372 HB3 SER 53 2HB SER 53 -1.680 -1.134 -9.304 373 HG SER 53 HG SER 53 -3.545 0.056 -10.719 374 H VAL 54 H VAL 54 -3.802 0.051 -5.858 375 HA VAL 54 HA VAL 54 -6.502 0.822 -6.758 376 HB VAL 54 HB VAL 54 -7.234 0.830 -4.425 377 HG11 VAL 54 1HG1 VAL 54 -7.851 -1.180 -5.294 378 HG12 VAL 54 2HG1 VAL 54 -6.197 -1.634 -5.711 379 HG13 VAL 54 3HG1 VAL 54 -6.752 -1.754 -4.041 380 HG21 VAL 54 3HG2 VAL 54 -5.814 -0.140 -2.670 381 HG22 VAL 54 1HG2 VAL 54 -4.484 -0.254 -3.823 382 HG23 VAL 54 2HG2 VAL 54 -5.109 1.326 -3.351 383 H SER 55 H SER 55 -6.934 2.937 -6.798 384 HA SER 55 HA SER 55 -4.856 4.811 -6.136 385 HB2 SER 55 1HB SER 55 -6.181 5.188 -8.135 386 HB3 SER 55 2HB SER 55 -7.666 5.224 -7.185 387 HG SER 55 HG SER 55 -6.096 7.002 -6.098 388 H VAL 56 H VAL 56 -4.955 6.484 -4.622 389 HA VAL 56 HA VAL 56 -7.129 6.411 -2.663 390 HB VAL 56 HB VAL 56 -4.206 6.229 -1.922 391 HG11 VAL 56 1HG1 VAL 56 -6.351 6.042 0.112 392 HG12 VAL 56 2HG1 VAL 56 -4.717 6.695 0.242 393 HG13 VAL 56 3HG1 VAL 56 -5.987 7.643 -0.532 394 HG21 VAL 56 3HG2 VAL 56 -6.380 4.284 -1.210 395 HG22 VAL 56 1HG2 VAL 56 -5.440 4.132 -2.694 396 HG23 VAL 56 2HG2 VAL 56 -4.632 4.062 -1.128 397 HA PRO 57 HA PRO 57 -6.727 10.790 -3.108 398 HB2 PRO 57 1HB PRO 57 -8.292 11.510 -1.010 399 HB3 PRO 57 2HB PRO 57 -8.948 10.889 -2.529 400 HG2 PRO 57 1HG PRO 57 -8.474 9.455 0.055 401 HG3 PRO 57 2HG PRO 57 -9.868 9.362 -1.037 402 HD2 PRO 57 1HD PRO 57 -7.918 7.483 -1.000 403 HD3 PRO 57 2HD PRO 57 -8.801 7.914 -2.479 404 H GLY 58 H GLY 58 -4.907 11.824 -2.576 405 HA2 GLY 58 1HA GLY 58 -3.131 11.372 -0.600 406 HA3 GLY 58 2HA GLY 58 -3.431 12.988 -1.222 407 H ALA 59 H ALA 59 -6.127 13.186 -0.238 408 HA ALA 59 HA ALA 59 -5.863 14.496 2.105 409 HB1 ALA 59 3HB ALA 59 -8.051 14.728 1.836 410 HB2 ALA 59 1HB ALA 59 -8.028 13.451 0.618 411 HB3 ALA 59 2HB ALA 59 -8.308 13.050 2.313 412 H ARG 60 H ARG 60 -6.269 11.000 1.752 413 HA ARG 60 HA ARG 60 -5.833 10.695 4.644 414 HB2 ARG 60 1HB ARG 60 -6.745 8.432 4.381 415 HB3 ARG 60 2HB ARG 60 -7.878 9.652 3.816 416 HG2 ARG 60 1HG ARG 60 -7.064 9.199 1.490 417 HG3 ARG 60 2HG ARG 60 -6.160 7.835 2.149 418 HD2 ARG 60 1HD ARG 60 -9.146 8.229 2.319 419 HD3 ARG 60 2HD ARG 60 -8.311 7.126 1.225 420 HE ARG 60 HE ARG 60 -7.698 6.675 3.993 421 HH11 ARG 60 1HH1 ARG 60 -9.930 5.984 1.413 422 HH12 ARG 60 2HH1 ARG 60 -10.484 4.500 2.115 423 HH21 ARG 60 1HH2 ARG 60 -8.419 4.723 4.927 424 HH22 ARG 60 2HH2 ARG 60 -9.624 3.784 4.114 425 H SER 61 H SER 61 -4.330 9.141 5.404 426 HA SER 61 HA SER 61 -2.217 8.499 3.453 427 HB2 SER 61 1HB SER 61 -0.580 8.820 5.134 428 HB3 SER 61 2HB SER 61 -1.697 10.171 5.324 429 HG SER 61 HG SER 61 -2.703 8.369 6.842 430 H HIS 62 H HIS 62 -4.629 6.935 4.327 431 HA HIS 62 HA HIS 62 -3.237 4.427 4.732 432 HB2 HIS 62 1HB HIS 62 -4.461 3.750 6.688 433 HB3 HIS 62 2HB HIS 62 -3.694 5.297 7.035 434 HD1 HIS 62 1HD HIS 62 -6.751 3.647 7.576 435 HD2 HIS 62 2HD HIS 62 -5.740 7.499 6.392 436 HE1 HIS 62 1HE HIS 62 -8.776 5.055 8.069 437 HE2 HIS 62 2HE HIS 62 -8.171 7.364 7.266 438 H VAL 63 H VAL 63 -4.538 2.578 4.257 439 HA VAL 63 HA VAL 63 -7.254 2.885 3.384 440 HB VAL 63 HB VAL 63 -5.873 3.786 1.453 441 HG11 VAL 63 1HG1 VAL 63 -5.280 1.283 0.251 442 HG12 VAL 63 2HG1 VAL 63 -4.173 2.592 0.671 443 HG13 VAL 63 3HG1 VAL 63 -4.522 1.320 1.842 444 HG21 VAL 63 3HG2 VAL 63 -7.602 1.374 0.904 445 HG22 VAL 63 1HG2 VAL 63 -8.193 3.005 1.226 446 HG23 VAL 63 2HG2 VAL 63 -7.243 2.682 -0.224 447 H THR 64 H THR 64 -8.203 0.855 2.681 448 HA THR 64 HA THR 64 -6.691 -1.472 3.676 449 HB THR 64 HB THR 64 -9.699 -1.198 3.628 450 HG1 THR 64 1HG THR 64 -8.981 0.260 5.144 451 HG21 THR 64 3HG2 THR 64 -8.211 -3.459 3.785 452 HG22 THR 64 1HG2 THR 64 -9.802 -3.271 4.519 453 HG23 THR 64 2HG2 THR 64 -8.350 -3.037 5.491 454 H LEU 65 H LEU 65 -6.564 -3.278 2.437 455 HA LEU 65 HA LEU 65 -7.709 -3.094 -0.263 456 HB2 LEU 65 1HB LEU 65 -5.455 -4.838 0.716 457 HB3 LEU 65 2HB LEU 65 -5.982 -4.641 -0.954 458 HG LEU 65 HG LEU 65 -4.904 -2.343 0.657 459 HD11 LEU 65 1HD1 LEU 65 -2.839 -2.983 -0.927 460 HD12 LEU 65 2HD1 LEU 65 -3.463 -4.597 -0.591 461 HD13 LEU 65 3HD1 LEU 65 -2.991 -3.539 0.739 462 HD21 LEU 65 3HD2 LEU 65 -6.228 -2.172 -1.588 463 HD22 LEU 65 1HD2 LEU 65 -4.703 -2.701 -2.300 464 HD23 LEU 65 2HD2 LEU 65 -4.764 -1.218 -1.347 465 HA PRO 66 HA PRO 66 -10.380 -6.329 1.496 466 HB2 PRO 66 1HB PRO 66 -12.373 -5.947 -0.308 467 HB3 PRO 66 2HB PRO 66 -12.180 -4.947 1.137 468 HG2 PRO 66 1HG PRO 66 -11.350 -4.382 -1.683 469 HG3 PRO 66 2HG PRO 66 -12.120 -3.303 -0.506 470 HD2 PRO 66 1HD PRO 66 -9.464 -3.232 -1.027 471 HD3 PRO 66 2HD PRO 66 -10.134 -2.856 0.574 472 H ASP 67 H ASP 67 -11.709 -8.059 0.183 473 HA ASP 67 HA ASP 67 -11.570 -9.953 -1.074 474 HB2 ASP 67 1HB ASP 67 -12.140 -8.432 -2.882 475 HB3 ASP 67 2HB ASP 67 -10.448 -7.983 -3.076 476 H LEU 68 H LEU 68 -9.660 -10.056 0.708 477 HA LEU 68 HA LEU 68 -7.221 -10.814 -0.762 478 HB2 LEU 68 1HB LEU 68 -7.616 -9.648 1.968 479 HB3 LEU 68 2HB LEU 68 -6.164 -10.570 1.583 480 HG LEU 68 HG LEU 68 -7.058 -8.063 0.160 481 HD11 LEU 68 1HD1 LEU 68 -5.074 -8.543 2.362 482 HD12 LEU 68 2HD1 LEU 68 -6.400 -7.382 2.307 483 HD13 LEU 68 3HD1 LEU 68 -4.976 -7.144 1.293 484 HD21 LEU 68 3HD2 LEU 68 -4.547 -9.719 -0.053 485 HD22 LEU 68 1HD2 LEU 68 -4.787 -8.142 -0.804 486 HD23 LEU 68 2HD2 LEU 68 -5.785 -9.512 -1.293 487 H GLN 69 H GLN 69 -5.948 -12.566 0.351 488 HA GLN 69 HA GLN 69 -7.796 -14.696 1.136 489 HB2 GLN 69 1HB GLN 69 -5.068 -14.634 -0.085 490 HB3 GLN 69 2HB GLN 69 -5.569 -16.063 0.810 491 HG2 GLN 69 1HG GLN 69 -7.381 -14.977 -1.282 492 HG3 GLN 69 2HG GLN 69 -5.945 -15.872 -1.776 493 HE21 GLN 69 1HE2 GLN 69 -9.118 -16.062 -0.586 494 HE22 GLN 69 2HE2 GLN 69 -9.192 -17.775 -0.375 495 H ALA 70 H ALA 70 -6.340 -16.415 2.539 496 HA ALA 70 HA ALA 70 -5.527 -14.891 4.927 497 HB1 ALA 70 3HB ALA 70 -6.290 -17.679 5.360 498 HB2 ALA 70 1HB ALA 70 -6.769 -16.221 6.229 499 HB3 ALA 70 2HB ALA 70 -7.593 -16.669 4.735 500 H ALA 71 H ALA 71 -3.752 -15.618 6.133 501 HA ALA 71 HA ALA 71 -1.641 -16.421 6.416 502 HB1 ALA 71 3HB ALA 71 -1.281 -18.766 6.017 503 HB2 ALA 71 1HB ALA 71 -2.914 -18.534 6.642 504 HB3 ALA 71 2HB ALA 71 -2.661 -18.832 4.921 505 H THR 72 H THR 72 -1.623 -14.623 4.491 506 HA THR 72 HA THR 72 0.447 -15.567 2.713 507 HB THR 72 HB THR 72 -2.097 -14.423 1.542 508 HG1 THR 72 1HG THR 72 -1.654 -16.702 0.444 509 HG21 THR 72 3HG2 THR 72 -0.303 -13.633 0.225 510 HG22 THR 72 1HG2 THR 72 -0.915 -15.050 -0.626 511 HG23 THR 72 2HG2 THR 72 0.559 -15.167 0.336 512 H LYS 73 H LYS 73 1.758 -13.928 1.941 513 HA LYS 73 HA LYS 73 1.445 -11.371 3.290 514 HB2 LYS 73 1HB LYS 73 3.687 -12.683 1.776 515 HB3 LYS 73 2HB LYS 73 3.747 -10.974 2.183 516 HG2 LYS 73 1HG LYS 73 4.915 -12.002 3.906 517 HG3 LYS 73 2HG LYS 73 3.312 -11.729 4.592 518 HD2 LYS 73 1HD LYS 73 3.663 -13.911 5.207 519 HD3 LYS 73 2HD LYS 73 2.856 -14.143 3.654 520 HE2 LYS 73 1HE LYS 73 4.674 -15.574 3.506 521 HE3 LYS 73 2HE LYS 73 5.251 -14.128 2.678 522 HZ1 LYS 73 3HZ LYS 73 6.281 -15.387 5.003 523 HZ2 LYS 73 1HZ LYS 73 5.894 -13.773 5.332 524 HZ3 LYS 73 2HZ LYS 73 6.957 -14.148 4.071 525 H TYR 74 H TYR 74 2.214 -9.404 1.941 526 HA TYR 74 HA TYR 74 1.479 -9.455 -0.847 527 HB2 TYR 74 1HB TYR 74 -0.212 -7.935 1.147 528 HB3 TYR 74 2HB TYR 74 -0.302 -7.733 -0.599 529 HD1 TYR 74 2HD TYR 74 -0.716 -10.257 2.101 530 HD2 TYR 74 1HD TYR 74 -1.689 -9.115 -1.881 531 HE1 TYR 74 2HE TYR 74 -2.348 -12.093 1.980 532 HE2 TYR 74 1HE TYR 74 -3.325 -10.947 -2.013 533 HH TYR 74 HH TYR 74 -3.892 -13.106 0.753 534 H ARG 75 H ARG 75 3.100 -8.337 -1.695 535 HA ARG 75 HA ARG 75 4.592 -6.390 -0.260 536 HB2 ARG 75 1HB ARG 75 5.208 -7.913 -2.340 537 HB3 ARG 75 2HB ARG 75 4.670 -6.502 -3.241 538 HG2 ARG 75 1HG ARG 75 6.284 -5.165 -1.795 539 HG3 ARG 75 2HG ARG 75 6.956 -6.725 -1.315 540 HD2 ARG 75 1HD ARG 75 6.643 -5.892 -4.189 541 HD3 ARG 75 2HD ARG 75 8.096 -5.555 -3.249 542 HE ARG 75 HE ARG 75 7.311 -8.321 -3.227 543 HH11 ARG 75 1HH1 ARG 75 9.106 -5.861 -4.913 544 HH12 ARG 75 2HH1 ARG 75 10.171 -6.986 -5.689 545 HH21 ARG 75 1HH2 ARG 75 8.706 -9.812 -4.243 546 HH22 ARG 75 2HH2 ARG 75 9.942 -9.233 -5.308 547 H VAL 76 H VAL 76 3.270 -4.727 0.414 548 HA VAL 76 HA VAL 76 1.578 -3.316 -1.449 549 HB VAL 76 HB VAL 76 2.313 -2.677 1.411 550 HG11 VAL 76 1HG1 VAL 76 1.341 -0.911 -0.438 551 HG12 VAL 76 2HG1 VAL 76 -0.136 -1.521 0.312 552 HG13 VAL 76 3HG1 VAL 76 1.121 -0.785 1.307 553 HG21 VAL 76 3HG2 VAL 76 0.818 -4.219 1.976 554 HG22 VAL 76 1HG2 VAL 76 -0.420 -3.343 1.077 555 HG23 VAL 76 2HG2 VAL 76 0.536 -4.589 0.275 556 H LEU 77 H LEU 77 2.698 -2.245 -2.992 557 HA LEU 77 HA LEU 77 4.976 -0.586 -2.209 558 HB2 LEU 77 1HB LEU 77 3.999 -1.771 -4.745 559 HB3 LEU 77 2HB LEU 77 4.877 -0.246 -4.850 560 HG LEU 77 HG LEU 77 6.613 -1.603 -3.350 561 HD11 LEU 77 1HD1 LEU 77 4.760 -3.581 -3.954 562 HD12 LEU 77 2HD1 LEU 77 6.391 -3.812 -3.325 563 HD13 LEU 77 3HD1 LEU 77 6.100 -3.870 -5.064 564 HD21 LEU 77 3HD2 LEU 77 6.460 -2.045 -6.323 565 HD22 LEU 77 1HD2 LEU 77 7.900 -1.935 -5.310 566 HD23 LEU 77 2HD2 LEU 77 6.913 -0.502 -5.598 567 H VAL 78 H VAL 78 4.387 1.355 -1.471 568 HA VAL 78 HA VAL 78 2.225 2.795 -2.851 569 HB VAL 78 HB VAL 78 3.406 3.529 -0.178 570 HG11 VAL 78 1HG1 VAL 78 1.503 4.727 -1.919 571 HG12 VAL 78 2HG1 VAL 78 0.667 4.198 -0.457 572 HG13 VAL 78 3HG1 VAL 78 2.054 5.282 -0.339 573 HG21 VAL 78 3HG2 VAL 78 1.536 1.373 -0.874 574 HG22 VAL 78 1HG2 VAL 78 2.541 1.589 0.559 575 HG23 VAL 78 2HG2 VAL 78 0.997 2.433 0.428 576 H SER 79 H SER 79 2.562 4.780 -3.742 577 HA SER 79 HA SER 79 5.219 5.994 -3.464 578 HB2 SER 79 1HB SER 79 3.841 5.712 -6.139 579 HB3 SER 79 2HB SER 79 5.480 6.283 -5.825 580 HG SER 79 HG SER 79 4.456 3.675 -5.775 581 H ALA 80 H ALA 80 5.257 8.203 -3.514 582 HA ALA 80 HA ALA 80 2.684 9.527 -3.262 583 HB1 ALA 80 3HB ALA 80 5.330 9.953 -2.242 584 HB2 ALA 80 1HB ALA 80 4.739 11.421 -3.021 585 HB3 ALA 80 2HB ALA 80 3.805 10.671 -1.726 586 H ILE 81 H ILE 81 1.721 10.556 -4.877 587 HA ILE 81 HA ILE 81 3.220 11.102 -7.321 588 HB ILE 81 HB ILE 81 0.256 11.443 -6.883 589 HG12 ILE 81 1HG1 ILE 81 1.096 9.106 -6.406 590 HG13 ILE 81 2HG1 ILE 81 -0.088 9.227 -7.704 591 HG21 ILE 81 1HG2 ILE 81 2.089 11.631 -9.191 592 HG22 ILE 81 2HG2 ILE 81 0.542 10.836 -9.476 593 HG23 ILE 81 3HG2 ILE 81 0.584 12.489 -8.862 594 HD11 ILE 81 3HD1 ILE 81 2.070 9.384 -9.198 595 HD12 ILE 81 1HD1 ILE 81 2.798 8.557 -7.821 596 HD13 ILE 81 2HD1 ILE 81 1.428 7.831 -8.663 597 H TYR 82 H TYR 82 3.645 13.097 -8.096 598 HA TYR 82 HA TYR 82 2.515 15.406 -6.667 599 HB2 TYR 82 1HB TYR 82 5.399 15.145 -7.541 600 HB3 TYR 82 2HB TYR 82 4.679 16.523 -6.716 601 HD1 TYR 82 1HD TYR 82 3.954 16.299 -4.345 602 HD2 TYR 82 2HD TYR 82 6.124 13.226 -6.333 603 HE1 TYR 82 1HE TYR 82 4.520 15.300 -2.170 604 HE2 TYR 82 2HE TYR 82 6.696 12.218 -4.164 605 HH TYR 82 HH TYR 82 5.215 12.628 -1.497 606 H ALA 83 H ALA 83 2.665 17.438 -7.894 607 HA ALA 83 HA ALA 83 1.506 17.349 -10.361 608 HB1 ALA 83 3HB ALA 83 1.907 19.357 -8.820 609 HB2 ALA 83 1HB ALA 83 3.436 19.543 -9.680 610 HB3 ALA 83 2HB ALA 83 1.910 19.641 -10.560 611 H ALA 84 H ALA 84 4.986 17.575 -9.685 612 HA ALA 84 HA ALA 84 5.719 17.552 -12.454 613 HB1 ALA 84 3HB ALA 84 7.188 17.485 -9.867 614 HB2 ALA 84 1HB ALA 84 8.032 16.994 -11.336 615 HB3 ALA 84 2HB ALA 84 7.330 18.608 -11.218 616 H GLY 85 H GLY 85 6.002 15.169 -9.812 617 HA2 GLY 85 1HA GLY 85 5.423 12.993 -11.580 618 HA3 GLY 85 2HA GLY 85 7.131 13.069 -11.173 619 H ARG 86 H ARG 86 6.510 10.875 -10.314 620 HA ARG 86 HA ARG 86 5.454 11.122 -7.573 621 HB2 ARG 86 1HB ARG 86 4.883 8.709 -7.753 622 HB3 ARG 86 2HB ARG 86 4.014 9.718 -8.901 623 HG2 ARG 86 1HG ARG 86 5.172 8.891 -10.713 624 HG3 ARG 86 2HG ARG 86 6.548 8.382 -9.732 625 HD2 ARG 86 1HD ARG 86 4.746 6.792 -8.648 626 HD3 ARG 86 2HD ARG 86 3.933 7.035 -10.193 627 HE ARG 86 HE ARG 86 6.532 6.374 -10.812 628 HH11 ARG 86 1HH1 ARG 86 3.891 4.902 -9.084 629 HH12 ARG 86 2HH1 ARG 86 4.378 3.282 -9.459 630 HH21 ARG 86 1HH2 ARG 86 7.183 4.245 -11.311 631 HH22 ARG 86 2HH2 ARG 86 6.251 2.910 -10.724 632 H SER 87 H SER 87 6.661 10.397 -5.898 633 HA SER 87 HA SER 87 9.442 10.037 -6.268 634 HB2 SER 87 1HB SER 87 9.567 9.773 -3.884 635 HB3 SER 87 2HB SER 87 8.334 10.990 -4.212 636 HG SER 87 HG SER 87 7.845 8.243 -3.683 637 H GLU 88 H GLU 88 10.511 8.101 -4.985 638 HA GLU 88 HA GLU 88 10.205 5.813 -6.532 639 HB2 GLU 88 1HB GLU 88 11.730 4.747 -5.057 640 HB3 GLU 88 2HB GLU 88 12.188 6.444 -5.098 641 HG2 GLU 88 1HG GLU 88 11.012 6.800 -2.976 642 HG3 GLU 88 2HG GLU 88 10.601 5.087 -2.930 643 H ALA 89 H ALA 89 9.926 3.571 -5.233 644 HA ALA 89 HA ALA 89 7.286 3.716 -3.928 645 HB1 ALA 89 3HB ALA 89 6.924 1.412 -4.907 646 HB2 ALA 89 1HB ALA 89 6.923 2.754 -6.052 647 HB3 ALA 89 2HB ALA 89 8.343 1.716 -5.909 648 H VAL 90 H VAL 90 7.077 2.763 -1.996 649 HA VAL 90 HA VAL 90 9.388 1.282 -0.951 650 HB VAL 90 HB VAL 90 8.219 1.683 1.290 651 HG11 VAL 90 1HG1 VAL 90 9.183 4.105 -0.227 652 HG12 VAL 90 2HG1 VAL 90 9.194 3.878 1.523 653 HG13 VAL 90 3HG1 VAL 90 10.230 2.885 0.497 654 HG21 VAL 90 3HG2 VAL 90 6.792 3.843 -0.246 655 HG22 VAL 90 1HG2 VAL 90 6.040 2.303 0.173 656 HG23 VAL 90 2HG2 VAL 90 6.587 3.394 1.447 657 H SER 91 H SER 91 9.253 -0.837 -0.645 658 HA SER 91 HA SER 91 6.703 -2.176 -1.011 659 HB2 SER 91 1HB SER 91 7.940 -4.172 -1.292 660 HB3 SER 91 2HB SER 91 8.929 -2.923 -2.047 661 HG SER 91 HG SER 91 9.360 -4.369 0.294 662 H ALA 92 H ALA 92 5.911 -3.789 0.462 663 HA ALA 92 HA ALA 92 6.970 -3.975 3.121 664 HB1 ALA 92 3HB ALA 92 4.636 -3.126 4.023 665 HB2 ALA 92 1HB ALA 92 5.976 -2.016 3.736 666 HB3 ALA 92 2HB ALA 92 4.684 -2.166 2.545 667 H THR 93 H THR 93 6.658 -6.032 3.627 668 HA THR 93 HA THR 93 4.428 -7.493 2.430 669 HB THR 93 HB THR 93 5.601 -9.511 3.415 670 HG1 THR 93 1HG THR 93 6.840 -8.109 4.932 671 HG21 THR 93 3HG2 THR 93 6.500 -9.715 1.386 672 HG22 THR 93 1HG2 THR 93 7.718 -8.495 1.754 673 HG23 THR 93 2HG2 THR 93 6.152 -8.009 1.106 674 H GLY 94 H GLY 94 2.606 -7.745 3.535 675 HA2 GLY 94 1HA GLY 94 2.777 -7.920 6.480 676 HA3 GLY 94 2HA GLY 94 1.514 -7.002 5.674 677 H GLN 95 H GLN 95 2.602 -10.127 6.652 678 HA GLN 95 HA GLN 95 0.959 -11.806 5.178 679 HB2 GLN 95 1HB GLN 95 2.700 -12.663 6.638 680 HB3 GLN 95 2HB GLN 95 1.848 -12.063 8.055 681 HG2 GLN 95 1HG GLN 95 0.107 -13.647 7.789 682 HG3 GLN 95 2HG GLN 95 0.685 -14.109 6.189 683 HE21 GLN 95 1HE2 GLN 95 0.539 -16.268 7.195 684 HE22 GLN 95 2HE2 GLN 95 1.910 -16.852 8.069 685 H THR 96 H THR 96 -1.153 -12.292 5.181 686 HA THR 96 HA THR 96 -2.993 -10.609 6.531 687 HB THR 96 HB THR 96 -4.700 -12.339 5.672 688 HG1 THR 96 1HG THR 96 -3.630 -13.557 3.858 689 HG21 THR 96 3HG2 THR 96 -4.701 -10.496 4.336 690 HG22 THR 96 1HG2 THR 96 -3.983 -11.631 3.194 691 HG23 THR 96 2HG2 THR 96 -2.954 -10.526 4.105 692 H ALA 97 H ALA 97 -4.973 -11.780 7.638 693 HA ALA 97 HA ALA 97 -3.920 -12.953 10.047 694 HB1 ALA 97 3HB ALA 97 -5.718 -11.304 10.147 695 HB2 ALA 97 1HB ALA 97 -6.774 -12.395 9.249 696 HB3 ALA 97 2HB ALA 97 -6.217 -12.837 10.864 697 H CYS 98 H CYS 98 -3.870 -15.042 10.594 698 HA CYS 98 HA CYS 98 -4.692 -17.016 8.655 699 HB2 CYS 98 1HB CYS 98 -2.585 -16.966 10.268 700 HB3 CYS 98 2HB CYS 98 -3.696 -17.780 11.363 701 HG CYS 98 HG CYS 98 -2.095 -18.963 8.696 702 HA PRO 99 HA PRO 99 -8.663 -17.786 10.427 703 HB2 PRO 99 1HB PRO 99 -9.152 -20.160 9.203 704 HB3 PRO 99 2HB PRO 99 -9.245 -18.608 8.362 705 HG2 PRO 99 1HG PRO 99 -7.026 -20.618 8.392 706 HG3 PRO 99 2HG PRO 99 -7.688 -19.702 7.025 707 HD2 PRO 99 1HD PRO 99 -5.392 -18.997 8.275 708 HD3 PRO 99 2HD PRO 99 -6.492 -17.805 7.554 709 H SER 100 H SER 100 -9.818 -19.887 11.323 710 HA SER 100 HA SER 100 -8.040 -20.921 13.400 711 HB2 SER 100 1HB SER 100 -10.135 -21.613 14.531 712 HB3 SER 100 2HB SER 100 -10.116 -19.889 14.161 713 HG SER 100 HG SER 100 -12.077 -21.235 13.620 714 H GLY 101 H GLY 101 -10.496 -22.133 11.119 715 HA2 GLY 101 1HA GLY 101 -10.076 -24.071 9.763 716 HA3 GLY 101 2HA GLY 101 -9.007 -24.671 11.021 717 HA PRO 102 HA PRO 102 -12.927 -27.016 11.470 718 HB2 PRO 102 1HB PRO 102 -11.704 -29.336 12.170 719 HB3 PRO 102 2HB PRO 102 -11.946 -28.847 10.489 720 HG2 PRO 102 1HG PRO 102 -9.498 -28.614 12.196 721 HG3 PRO 102 2HG PRO 102 -9.637 -29.123 10.503 722 HD2 PRO 102 1HD PRO 102 -8.855 -26.631 11.215 723 HD3 PRO 102 2HD PRO 102 -9.773 -26.955 9.732 724 H SER 103 H SER 103 -10.077 -26.852 13.553 725 HA SER 103 HA SER 103 -11.527 -27.663 15.906 726 HB2 SER 103 1HB SER 103 -9.393 -27.051 17.084 727 HB3 SER 103 2HB SER 103 -9.190 -28.235 15.793 728 HG SER 103 HG SER 103 -8.692 -25.446 15.597 729 H SER 104 H SER 104 -12.334 -26.400 17.512 730 HA SER 104 HA SER 104 -12.214 -23.485 17.091 731 HB2 SER 104 1HB SER 104 -14.499 -25.259 17.913 732 HB3 SER 104 2HB SER 104 -14.485 -23.550 18.348 733 HG SER 104 HG SER 104 -14.561 -22.999 16.233 734 H GLY 105 H GLY 105 -10.342 -23.446 18.476 735 HA2 GLY 105 1HA GLY 105 -10.058 -24.435 21.011 736 HA3 GLY 105 2HA GLY 105 -9.407 -22.883 20.504 Start of MODEL 11 1 H1 GLY 1 H GLY 1 27.271 9.543 -14.349 2 HA2 GLY 1 1HA GLY 1 26.667 8.059 -12.700 3 HA3 GLY 1 2HA GLY 1 27.272 9.224 -11.532 4 H SER 2 H SER 2 25.609 8.949 -10.070 5 HA SER 2 HA SER 2 22.927 9.732 -11.000 6 HB2 SER 2 1HB SER 2 23.869 7.805 -8.925 7 HB3 SER 2 2HB SER 2 22.348 8.650 -8.640 8 HG SER 2 HG SER 2 22.219 6.591 -9.807 9 H SER 3 H SER 3 22.004 11.517 -10.198 10 HA SER 3 HA SER 3 22.567 12.599 -7.636 11 HB2 SER 3 1HB SER 3 24.605 13.195 -9.225 12 HB3 SER 3 2HB SER 3 23.507 14.460 -9.776 13 HG SER 3 HG SER 3 23.819 14.102 -7.025 14 H GLY 4 H GLY 4 21.526 14.796 -7.369 15 HA2 GLY 4 1HA GLY 4 19.763 15.875 -9.259 16 HA3 GLY 4 2HA GLY 4 18.873 14.694 -8.310 17 H SER 5 H SER 5 17.535 16.105 -7.256 18 HA SER 5 HA SER 5 18.760 17.621 -5.101 19 HB2 SER 5 1HB SER 5 17.301 18.863 -7.391 20 HB3 SER 5 2HB SER 5 17.050 19.538 -5.781 21 HG SER 5 HG SER 5 19.576 19.146 -7.018 22 H SER 6 H SER 6 17.173 18.348 -3.499 23 HA SER 6 HA SER 6 15.352 16.324 -2.829 24 HB2 SER 6 1HB SER 6 16.460 18.031 -1.280 25 HB3 SER 6 2HB SER 6 15.196 19.152 -1.786 26 HG SER 6 HG SER 6 14.153 18.240 -0.192 27 H GLY 7 H GLY 7 12.984 16.757 -2.349 28 HA2 GLY 7 1HA GLY 7 11.358 18.620 -3.461 29 HA3 GLY 7 2HA GLY 7 11.723 17.563 -4.816 30 H ARG 8 H ARG 8 10.841 15.514 -4.903 31 HA ARG 8 HA ARG 8 8.415 15.154 -3.433 32 HB2 ARG 8 1HB ARG 8 9.836 13.230 -5.284 33 HB3 ARG 8 2HB ARG 8 8.170 13.100 -4.735 34 HG2 ARG 8 1HG ARG 8 7.440 14.783 -6.106 35 HG3 ARG 8 2HG ARG 8 9.020 15.568 -6.164 36 HD2 ARG 8 1HD ARG 8 8.337 12.941 -7.480 37 HD3 ARG 8 2HD ARG 8 8.388 14.500 -8.302 38 HE ARG 8 HE ARG 8 10.821 13.758 -6.929 39 HH11 ARG 8 1HH1 ARG 8 9.028 13.692 -9.912 40 HH12 ARG 8 2HH1 ARG 8 10.431 13.467 -10.903 41 HH21 ARG 8 1HH2 ARG 8 12.676 13.463 -8.222 42 HH22 ARG 8 2HH2 ARG 8 12.506 13.336 -9.940 43 H SER 9 H SER 9 7.930 13.692 -1.841 44 HA SER 9 HA SER 9 10.176 12.139 -0.736 45 HB2 SER 9 1HB SER 9 9.694 14.175 0.625 46 HB3 SER 9 2HB SER 9 8.059 13.568 0.890 47 HG SER 9 HG SER 9 9.938 13.090 2.458 48 HA PRO 10 HA PRO 10 7.216 8.859 -1.352 49 HB2 PRO 10 1HB PRO 10 8.841 6.869 -0.474 50 HB3 PRO 10 2HB PRO 10 8.995 7.598 -2.077 51 HG2 PRO 10 1HG PRO 10 10.567 8.145 0.411 52 HG3 PRO 10 2HG PRO 10 11.140 7.966 -1.257 53 HD2 PRO 10 1HD PRO 10 10.804 10.383 -0.085 54 HD3 PRO 10 2HD PRO 10 10.556 10.122 -1.823 55 HA PRO 11 HA PRO 11 5.440 8.237 2.627 56 HB2 PRO 11 1HB PRO 11 4.234 5.831 2.272 57 HB3 PRO 11 2HB PRO 11 3.634 7.324 1.539 58 HG2 PRO 11 1HG PRO 11 5.299 5.153 0.324 59 HG3 PRO 11 2HG PRO 11 3.916 6.021 -0.366 60 HD2 PRO 11 1HD PRO 11 6.478 6.628 -0.996 61 HD3 PRO 11 2HD PRO 11 5.192 7.851 -0.945 62 H SER 12 H SER 12 6.537 7.764 4.418 63 HA SER 12 HA SER 12 8.066 5.248 4.515 64 HB2 SER 12 1HB SER 12 8.534 7.740 6.166 65 HB3 SER 12 2HB SER 12 9.560 6.307 6.097 66 HG SER 12 HG SER 12 9.694 8.447 4.575 67 H ASN 13 H ASN 13 8.455 4.657 6.980 68 HA ASN 13 HA ASN 13 7.563 3.798 8.887 69 HB2 ASN 13 1HB ASN 13 5.712 6.163 8.546 70 HB3 ASN 13 2HB ASN 13 5.684 5.105 9.954 71 HD21 ASN 13 1HD2 ASN 13 7.500 7.496 8.197 72 HD22 ASN 13 2HD2 ASN 13 8.608 7.877 9.466 73 H LEU 14 H LEU 14 6.753 2.721 6.379 74 HA LEU 14 HA LEU 14 3.999 2.286 6.145 75 HB2 LEU 14 1HB LEU 14 6.452 0.936 5.177 76 HB3 LEU 14 2HB LEU 14 4.951 0.014 5.117 77 HG LEU 14 HG LEU 14 5.331 2.711 3.822 78 HD11 LEU 14 1HD1 LEU 14 5.622 1.580 1.742 79 HD12 LEU 14 2HD1 LEU 14 5.356 0.008 2.495 80 HD13 LEU 14 3HD1 LEU 14 6.807 0.934 2.877 81 HD21 LEU 14 3HD2 LEU 14 3.307 1.843 2.523 82 HD22 LEU 14 1HD2 LEU 14 3.042 2.386 4.180 83 HD23 LEU 14 2HD2 LEU 14 3.137 0.661 3.822 84 H ALA 15 H ALA 15 2.620 1.231 7.397 85 HA ALA 15 HA ALA 15 3.618 -0.992 9.050 86 HB1 ALA 15 3HB ALA 15 1.470 0.159 10.439 87 HB2 ALA 15 1HB ALA 15 3.174 0.160 10.893 88 HB3 ALA 15 2HB ALA 15 2.511 1.495 9.950 89 H LEU 16 H LEU 16 2.748 -2.720 8.067 90 HA LEU 16 HA LEU 16 0.062 -2.617 6.975 91 HB2 LEU 16 1HB LEU 16 2.359 -4.482 6.844 92 HB3 LEU 16 2HB LEU 16 0.751 -5.178 6.654 93 HG LEU 16 HG LEU 16 0.367 -3.556 4.782 94 HD11 LEU 16 1HD1 LEU 16 3.289 -3.170 4.525 95 HD12 LEU 16 2HD1 LEU 16 2.449 -2.181 5.719 96 HD13 LEU 16 3HD1 LEU 16 1.955 -2.129 4.026 97 HD21 LEU 16 3HD2 LEU 16 2.631 -5.532 4.547 98 HD22 LEU 16 1HD2 LEU 16 1.799 -4.795 3.177 99 HD23 LEU 16 2HD2 LEU 16 0.914 -5.841 4.288 100 H ALA 17 H ALA 17 -1.621 -2.912 8.268 101 HA ALA 17 HA ALA 17 -1.358 -4.793 10.521 102 HB1 ALA 17 3HB ALA 17 -3.540 -2.779 10.481 103 HB2 ALA 17 1HB ALA 17 -2.642 -3.452 11.843 104 HB3 ALA 17 2HB ALA 17 -1.901 -2.222 10.818 105 H SER 18 H SER 18 -2.478 -6.614 10.369 106 HA SER 18 HA SER 18 -4.622 -6.796 8.381 107 HB2 SER 18 1HB SER 18 -2.950 -8.488 8.096 108 HB3 SER 18 2HB SER 18 -2.992 -8.903 9.809 109 HG SER 18 HG SER 18 -5.311 -9.125 8.229 110 H GLU 19 H GLU 19 -6.626 -6.525 9.081 111 HA GLU 19 HA GLU 19 -7.270 -7.198 11.865 112 HB2 GLU 19 1HB GLU 19 -9.077 -5.670 10.015 113 HB3 GLU 19 2HB GLU 19 -9.026 -5.647 11.772 114 HG2 GLU 19 1HG GLU 19 -7.154 -4.342 9.833 115 HG3 GLU 19 2HG GLU 19 -8.129 -3.596 11.098 116 H THR 20 H THR 20 -8.195 -7.818 8.536 117 HA THR 20 HA THR 20 -9.822 -10.081 9.478 118 HB THR 20 HB THR 20 -11.512 -8.615 8.807 119 HG1 THR 20 1HG THR 20 -11.403 -9.583 6.265 120 HG21 THR 20 3HG2 THR 20 -10.032 -7.921 6.277 121 HG22 THR 20 1HG2 THR 20 -9.875 -6.982 7.761 122 HG23 THR 20 2HG2 THR 20 -11.444 -7.122 6.968 123 HA PRO 21 HA PRO 21 -7.411 -12.486 6.692 124 HB2 PRO 21 1HB PRO 21 -9.126 -14.550 6.280 125 HB3 PRO 21 2HB PRO 21 -8.239 -14.325 7.792 126 HG2 PRO 21 1HG PRO 21 -11.070 -13.608 7.132 127 HG3 PRO 21 2HG PRO 21 -10.419 -14.358 8.602 128 HD2 PRO 21 1HD PRO 21 -11.030 -11.724 8.458 129 HD3 PRO 21 2HD PRO 21 -9.705 -12.343 9.464 130 H ASP 22 H ASP 22 -9.941 -10.651 5.755 131 HA ASP 22 HA ASP 22 -9.780 -11.590 2.965 132 HB2 ASP 22 1HB ASP 22 -12.139 -10.012 3.888 133 HB3 ASP 22 2HB ASP 22 -12.031 -11.233 2.623 134 H SER 23 H SER 23 -8.955 -9.180 5.076 135 HA SER 23 HA SER 23 -8.380 -7.350 2.894 136 HB2 SER 23 1HB SER 23 -9.734 -6.206 5.321 137 HB3 SER 23 2HB SER 23 -9.533 -5.488 3.723 138 HG SER 23 HG SER 23 -10.927 -7.385 3.060 139 H LEU 24 H LEU 24 -6.696 -5.904 3.339 140 HA LEU 24 HA LEU 24 -5.319 -6.317 5.908 141 HB2 LEU 24 1HB LEU 24 -4.253 -7.545 4.023 142 HB3 LEU 24 2HB LEU 24 -3.987 -5.997 3.223 143 HG LEU 24 HG LEU 24 -2.691 -5.408 5.411 144 HD11 LEU 24 1HD1 LEU 24 -3.492 -7.978 6.060 145 HD12 LEU 24 2HD1 LEU 24 -2.249 -7.026 6.870 146 HD13 LEU 24 3HD1 LEU 24 -1.801 -8.157 5.593 147 HD21 LEU 24 3HD2 LEU 24 -1.113 -5.415 3.848 148 HD22 LEU 24 1HD2 LEU 24 -1.965 -6.646 2.915 149 HD23 LEU 24 2HD2 LEU 24 -0.851 -7.125 4.196 150 H GLN 25 H GLN 25 -5.113 -4.489 7.001 151 HA GLN 25 HA GLN 25 -5.544 -1.942 5.716 152 HB2 GLN 25 1HB GLN 25 -6.231 -2.785 8.132 153 HB3 GLN 25 2HB GLN 25 -4.644 -2.156 8.553 154 HG2 GLN 25 1HG GLN 25 -5.244 0.007 8.192 155 HG3 GLN 25 2HG GLN 25 -6.444 -0.413 6.970 156 HE21 GLN 25 1HE2 GLN 25 -8.312 -1.751 7.900 157 HE22 GLN 25 2HE2 GLN 25 -8.983 -1.169 9.382 158 H VAL 26 H VAL 26 -4.069 -0.364 5.319 159 HA VAL 26 HA VAL 26 -1.296 -0.781 6.169 160 HB VAL 26 HB VAL 26 -1.317 -1.725 3.960 161 HG11 VAL 26 1HG1 VAL 26 -2.565 0.860 3.032 162 HG12 VAL 26 2HG1 VAL 26 -2.074 -0.485 2.001 163 HG13 VAL 26 3HG1 VAL 26 -3.388 -0.694 3.160 164 HG21 VAL 26 3HG2 VAL 26 0.106 0.067 2.742 165 HG22 VAL 26 1HG2 VAL 26 -0.077 0.985 4.237 166 HG23 VAL 26 2HG2 VAL 26 0.690 -0.603 4.265 167 H SER 27 H SER 27 -0.393 1.028 6.910 168 HA SER 27 HA SER 27 -1.544 3.611 6.086 169 HB2 SER 27 1HB SER 27 -1.154 4.434 8.394 170 HB3 SER 27 2HB SER 27 -2.316 3.108 8.343 171 HG SER 27 HG SER 27 -0.010 3.254 9.683 172 H TRP 28 H TRP 28 -0.017 5.463 6.732 173 HA TRP 28 HA TRP 28 2.770 4.914 6.926 174 HB2 TRP 28 1HB TRP 28 3.386 5.852 4.687 175 HB3 TRP 28 2HB TRP 28 2.589 4.283 4.612 176 HD1 TRP 28 HD TRP 28 1.965 7.992 3.844 177 HE1 TRP 28 1HE TRP 28 -0.026 8.164 2.221 178 HE3 TRP 28 3HE TRP 28 0.510 3.091 3.821 179 HZ2 TRP 28 2HZ TRP 28 -1.958 6.449 1.083 180 HZ3 TRP 28 3HZ TRP 28 -1.419 2.439 2.440 181 HH2 TRP 28 HH TRP 28 -2.626 4.085 1.100 182 H THR 29 H THR 29 4.073 6.973 6.580 183 HA THR 29 HA THR 29 2.568 9.183 7.765 184 HB THR 29 HB THR 29 5.546 8.720 7.524 185 HG1 THR 29 1HG THR 29 3.747 8.671 9.737 186 HG21 THR 29 3HG2 THR 29 4.866 11.136 7.421 187 HG22 THR 29 1HG2 THR 29 5.883 10.714 8.798 188 HG23 THR 29 2HG2 THR 29 4.147 10.935 9.019 189 HA PRO 30 HA PRO 30 2.599 11.030 3.670 190 HB2 PRO 30 1HB PRO 30 0.974 13.100 4.338 191 HB3 PRO 30 2HB PRO 30 0.369 11.475 3.995 192 HG2 PRO 30 1HG PRO 30 0.881 12.787 6.636 193 HG3 PRO 30 2HG PRO 30 -0.494 11.787 6.132 194 HD2 PRO 30 1HD PRO 30 1.546 10.815 7.625 195 HD3 PRO 30 2HD PRO 30 0.661 9.818 6.452 196 HA PRO 31 HA PRO 31 5.831 13.986 4.375 197 HB2 PRO 31 1HB PRO 31 5.969 14.953 1.843 198 HB3 PRO 31 2HB PRO 31 6.619 13.376 2.305 199 HG2 PRO 31 1HG PRO 31 4.020 14.037 0.976 200 HG3 PRO 31 2HG PRO 31 5.164 12.733 0.609 201 HD2 PRO 31 1HD PRO 31 2.901 12.326 2.039 202 HD3 PRO 31 2HD PRO 31 4.389 11.401 2.323 203 H LEU 32 H LEU 32 6.190 16.384 3.429 204 HA LEU 32 HA LEU 32 3.934 17.900 4.446 205 HB2 LEU 32 1HB LEU 32 5.463 19.825 4.293 206 HB3 LEU 32 2HB LEU 32 6.114 18.498 5.254 207 HG LEU 32 HG LEU 32 7.269 17.901 2.932 208 HD11 LEU 32 1HD1 LEU 32 7.528 19.574 1.451 209 HD12 LEU 32 2HD1 LEU 32 7.570 20.819 2.699 210 HD13 LEU 32 3HD1 LEU 32 6.024 20.164 2.159 211 HD21 LEU 32 3HD2 LEU 32 8.072 18.903 5.353 212 HD22 LEU 32 1HD2 LEU 32 8.689 20.102 4.217 213 HD23 LEU 32 2HD2 LEU 32 9.143 18.407 4.041 214 H GLY 33 H GLY 33 5.810 17.621 1.450 215 HA2 GLY 33 1HA GLY 33 4.552 19.647 -0.009 216 HA3 GLY 33 2HA GLY 33 5.316 18.226 -0.707 217 H ARG 34 H ARG 34 2.657 19.842 -1.030 218 HA ARG 34 HA ARG 34 0.478 18.237 -0.467 219 HB2 ARG 34 1HB ARG 34 0.335 20.539 -1.359 220 HB3 ARG 34 2HB ARG 34 0.875 19.951 -2.926 221 HG2 ARG 34 1HG ARG 34 -1.526 18.698 -1.705 222 HG3 ARG 34 2HG ARG 34 -1.674 20.317 -2.392 223 HD2 ARG 34 1HD ARG 34 -0.743 19.476 -4.511 224 HD3 ARG 34 2HD ARG 34 -0.667 17.857 -3.817 225 HE ARG 34 HE ARG 34 -2.943 17.655 -4.092 226 HH11 ARG 34 1HH1 ARG 34 -1.971 20.951 -4.647 227 HH12 ARG 34 2HH1 ARG 34 -3.505 21.432 -5.294 228 HH21 ARG 34 1HH2 ARG 34 -4.967 18.275 -4.941 229 HH22 ARG 34 2HH2 ARG 34 -5.209 19.909 -5.460 230 H VAL 35 H VAL 35 -0.120 16.278 -1.100 231 HA VAL 35 HA VAL 35 1.044 15.188 -3.580 232 HB VAL 35 HB VAL 35 0.169 13.707 -1.097 233 HG11 VAL 35 1HG1 VAL 35 1.529 12.513 -3.494 234 HG12 VAL 35 2HG1 VAL 35 0.725 11.688 -2.158 235 HG13 VAL 35 3HG1 VAL 35 -0.227 12.575 -3.348 236 HG21 VAL 35 3HG2 VAL 35 2.488 15.054 -1.452 237 HG22 VAL 35 1HG2 VAL 35 2.324 13.613 -0.449 238 HG23 VAL 35 2HG2 VAL 35 2.925 13.474 -2.102 239 H LEU 36 H LEU 36 -0.424 15.248 -5.154 240 HA LEU 36 HA LEU 36 -3.126 15.579 -4.998 241 HB2 LEU 36 1HB LEU 36 -1.768 13.838 -7.046 242 HB3 LEU 36 2HB LEU 36 -3.290 14.708 -7.231 243 HG LEU 36 HG LEU 36 -0.625 16.065 -6.854 244 HD11 LEU 36 1HD1 LEU 36 -0.652 16.483 -9.248 245 HD12 LEU 36 2HD1 LEU 36 -2.124 15.527 -9.414 246 HD13 LEU 36 3HD1 LEU 36 -0.620 14.751 -8.918 247 HD21 LEU 36 3HD2 LEU 36 -3.279 16.989 -6.713 248 HD22 LEU 36 1HD2 LEU 36 -2.624 17.566 -8.246 249 HD23 LEU 36 2HD2 LEU 36 -1.796 17.945 -6.735 250 H HIS 37 H HIS 37 -1.680 12.392 -5.694 251 HA HIS 37 HA HIS 37 -3.611 11.147 -3.888 252 HB2 HIS 37 1HB HIS 37 -4.223 9.463 -5.592 253 HB3 HIS 37 2HB HIS 37 -4.722 11.087 -6.053 254 HD1 HIS 37 1HD HIS 37 -2.727 8.226 -7.180 255 HD2 HIS 37 2HD HIS 37 -3.071 12.259 -8.119 256 HE1 HIS 37 1HE HIS 37 -1.599 8.496 -9.412 257 HE2 HIS 37 2HE HIS 37 -1.745 10.958 -9.919 258 H TYR 38 H TYR 38 -3.143 8.718 -3.730 259 HA TYR 38 HA TYR 38 -0.224 8.308 -3.805 260 HB2 TYR 38 1HB TYR 38 -2.256 7.476 -1.738 261 HB3 TYR 38 2HB TYR 38 -0.657 6.745 -1.832 262 HD1 TYR 38 1HD TYR 38 -2.303 10.085 -1.574 263 HD2 TYR 38 2HD TYR 38 1.094 7.697 -0.647 264 HE1 TYR 38 1HE TYR 38 -1.391 11.920 -0.214 265 HE2 TYR 38 2HE TYR 38 2.015 9.525 0.717 266 HH TYR 38 HH TYR 38 0.384 12.663 0.924 267 H TRP 39 H TRP 39 0.112 7.042 -5.532 268 HA TRP 39 HA TRP 39 -1.729 5.066 -6.433 269 HB2 TRP 39 1HB TRP 39 0.004 6.307 -7.832 270 HB3 TRP 39 2HB TRP 39 1.198 5.206 -7.151 271 HD1 TRP 39 HD TRP 39 1.740 3.373 -8.837 272 HE1 TRP 39 1HE TRP 39 0.416 1.970 -10.541 273 HE3 TRP 39 3HE TRP 39 -2.892 5.428 -8.156 274 HZ2 TRP 39 2HZ TRP 39 -2.241 1.762 -11.473 275 HZ3 TRP 39 3HZ TRP 39 -4.771 4.570 -9.494 276 HH2 TRP 39 HH TRP 39 -4.449 2.776 -11.118 277 H LEU 40 H LEU 40 -2.159 3.364 -5.166 278 HA LEU 40 HA LEU 40 0.029 2.043 -3.739 279 HB2 LEU 40 1HB LEU 40 -2.361 2.712 -2.816 280 HB3 LEU 40 2HB LEU 40 -2.796 1.148 -3.503 281 HG LEU 40 HG LEU 40 -0.452 1.261 -1.677 282 HD11 LEU 40 1HD1 LEU 40 -1.774 2.459 -0.239 283 HD12 LEU 40 2HD1 LEU 40 -2.257 0.813 0.169 284 HD13 LEU 40 3HD1 LEU 40 -3.274 1.795 -0.886 285 HD21 LEU 40 3HD2 LEU 40 -1.448 -0.926 -0.987 286 HD22 LEU 40 1HD2 LEU 40 -0.972 -0.840 -2.683 287 HD23 LEU 40 2HD2 LEU 40 -2.673 -0.698 -2.236 288 H THR 41 H THR 41 0.737 0.036 -4.213 289 HA THR 41 HA THR 41 -0.751 -1.581 -6.150 290 HB THR 41 HB THR 41 1.522 -2.128 -7.233 291 HG1 THR 41 1HG THR 41 2.773 0.037 -7.102 292 HG21 THR 41 3HG2 THR 41 0.723 -0.923 -8.930 293 HG22 THR 41 1HG2 THR 41 1.073 0.588 -8.092 294 HG23 THR 41 2HG2 THR 41 -0.459 -0.239 -7.815 295 H TYR 42 H TYR 42 -1.181 -3.319 -4.930 296 HA TYR 42 HA TYR 42 0.942 -4.432 -3.239 297 HB2 TYR 42 1HB TYR 42 -0.811 -5.676 -2.112 298 HB3 TYR 42 2HB TYR 42 -1.256 -3.975 -2.187 299 HD1 TYR 42 1HD TYR 42 -3.060 -3.226 -3.673 300 HD2 TYR 42 2HD TYR 42 -2.075 -7.348 -3.296 301 HE1 TYR 42 1HE TYR 42 -5.204 -3.828 -4.718 302 HE2 TYR 42 2HE TYR 42 -4.216 -7.961 -4.341 303 HH TYR 42 HH TYR 42 -6.586 -6.731 -4.536 304 H ALA 43 H ALA 43 1.594 -6.572 -3.399 305 HA ALA 43 HA ALA 43 0.480 -8.253 -5.492 306 HB1 ALA 43 3HB ALA 43 2.143 -8.121 -6.975 307 HB2 ALA 43 1HB ALA 43 2.616 -6.645 -6.133 308 HB3 ALA 43 2HB ALA 43 3.381 -8.180 -5.720 309 HA PRO 44 HA PRO 44 1.594 -11.567 -2.842 310 HB2 PRO 44 1HB PRO 44 2.371 -13.503 -4.579 311 HB3 PRO 44 2HB PRO 44 0.686 -13.001 -4.390 312 HG2 PRO 44 1HG PRO 44 2.676 -12.210 -6.483 313 HG3 PRO 44 2HG PRO 44 0.965 -12.638 -6.670 314 HD2 PRO 44 1HD PRO 44 1.832 -10.072 -6.651 315 HD3 PRO 44 2HD PRO 44 0.242 -10.548 -6.020 316 H ALA 45 H ALA 45 3.905 -9.859 -4.472 317 HA ALA 45 HA ALA 45 6.166 -9.655 -4.309 318 HB1 ALA 45 3HB ALA 45 5.317 -9.952 -1.809 319 HB2 ALA 45 1HB ALA 45 6.307 -11.407 -1.922 320 HB3 ALA 45 2HB ALA 45 7.029 -9.824 -2.213 321 H SER 46 H SER 46 5.215 -11.725 -5.970 322 HA SER 46 HA SER 46 7.324 -13.758 -5.637 323 HB2 SER 46 1HB SER 46 4.515 -13.981 -6.687 324 HB3 SER 46 2HB SER 46 5.751 -15.142 -7.173 325 HG SER 46 HG SER 46 5.424 -16.090 -5.340 326 H GLY 47 H GLY 47 5.536 -11.757 -7.939 327 HA2 GLY 47 1HA GLY 47 6.602 -10.626 -9.738 328 HA3 GLY 47 2HA GLY 47 7.874 -11.838 -9.709 329 H LEU 48 H LEU 48 6.204 -14.137 -9.706 330 HA LEU 48 HA LEU 48 5.817 -14.478 -12.469 331 HB2 LEU 48 1HB LEU 48 4.923 -16.628 -11.934 332 HB3 LEU 48 2HB LEU 48 6.276 -16.296 -10.854 333 HG LEU 48 HG LEU 48 4.329 -15.501 -9.246 334 HD11 LEU 48 1HD1 LEU 48 2.785 -16.265 -11.321 335 HD12 LEU 48 2HD1 LEU 48 2.256 -16.283 -9.639 336 HD13 LEU 48 3HD1 LEU 48 2.842 -17.765 -10.395 337 HD21 LEU 48 3HD2 LEU 48 5.323 -17.159 -8.151 338 HD22 LEU 48 1HD2 LEU 48 5.798 -17.944 -9.658 339 HD23 LEU 48 2HD2 LEU 48 4.216 -18.275 -8.952 340 H GLY 49 H GLY 49 3.548 -13.801 -9.838 341 HA2 GLY 49 1HA GLY 49 1.302 -13.769 -11.696 342 HA3 GLY 49 2HA GLY 49 1.216 -13.563 -9.953 343 HA PRO 50 HA PRO 50 1.178 -9.446 -12.414 344 HB2 PRO 50 1HB PRO 50 -1.499 -9.032 -12.595 345 HB3 PRO 50 2HB PRO 50 -0.568 -9.859 -13.849 346 HG2 PRO 50 1HG PRO 50 -2.258 -11.020 -11.668 347 HG3 PRO 50 2HG PRO 50 -2.151 -11.495 -13.373 348 HD2 PRO 50 1HD PRO 50 -0.877 -12.845 -11.402 349 HD3 PRO 50 2HD PRO 50 -0.217 -12.706 -13.044 350 H GLU 51 H GLU 51 0.934 -7.494 -11.369 351 HA GLU 51 HA GLU 51 -0.024 -7.655 -8.596 352 HB2 GLU 51 1HB GLU 51 1.411 -5.794 -8.100 353 HB3 GLU 51 2HB GLU 51 2.349 -6.989 -8.985 354 HG2 GLU 51 1HG GLU 51 2.121 -5.692 -11.024 355 HG3 GLU 51 2HG GLU 51 1.126 -4.510 -10.175 356 H LYS 52 H LYS 52 -1.574 -6.303 -7.824 357 HA LYS 52 HA LYS 52 -3.150 -4.874 -9.803 358 HB2 LYS 52 1HB LYS 52 -3.600 -5.625 -6.923 359 HB3 LYS 52 2HB LYS 52 -4.678 -4.521 -7.766 360 HG2 LYS 52 1HG LYS 52 -4.056 -7.204 -8.926 361 HG3 LYS 52 2HG LYS 52 -5.268 -7.031 -7.654 362 HD2 LYS 52 1HD LYS 52 -6.702 -5.845 -8.994 363 HD3 LYS 52 2HD LYS 52 -5.402 -5.204 -10.002 364 HE2 LYS 52 1HE LYS 52 -5.122 -7.370 -11.060 365 HE3 LYS 52 2HE LYS 52 -6.349 -8.068 -10.005 366 HZ1 LYS 52 3HZ LYS 52 -7.746 -6.097 -11.053 367 HZ2 LYS 52 1HZ LYS 52 -7.635 -7.616 -11.790 368 HZ3 LYS 52 2HZ LYS 52 -6.665 -6.341 -12.331 369 H SER 53 H SER 53 -4.197 -2.757 -8.882 370 HA SER 53 HA SER 53 -2.400 -1.124 -7.315 371 HB2 SER 53 1HB SER 53 -2.110 0.590 -9.082 372 HB3 SER 53 2HB SER 53 -1.350 -0.943 -9.511 373 HG SER 53 HG SER 53 -3.954 -0.203 -10.352 374 H VAL 54 H VAL 54 -3.790 -0.219 -5.954 375 HA VAL 54 HA VAL 54 -6.401 0.679 -6.971 376 HB VAL 54 HB VAL 54 -7.149 0.680 -4.630 377 HG11 VAL 54 1HG1 VAL 54 -5.887 -1.986 -5.185 378 HG12 VAL 54 2HG1 VAL 54 -7.446 -1.634 -4.436 379 HG13 VAL 54 3HG1 VAL 54 -7.215 -1.366 -6.165 380 HG21 VAL 54 3HG2 VAL 54 -5.664 -0.465 -2.945 381 HG22 VAL 54 1HG2 VAL 54 -4.343 -0.271 -4.097 382 HG23 VAL 54 2HG2 VAL 54 -5.151 1.150 -3.435 383 H SER 55 H SER 55 -7.044 2.769 -6.774 384 HA SER 55 HA SER 55 -4.988 4.721 -6.208 385 HB2 SER 55 1HB SER 55 -6.733 4.803 -8.120 386 HB3 SER 55 2HB SER 55 -7.848 5.379 -6.881 387 HG SER 55 HG SER 55 -5.433 6.668 -6.858 388 H VAL 56 H VAL 56 -5.082 6.336 -4.641 389 HA VAL 56 HA VAL 56 -7.127 6.021 -2.551 390 HB VAL 56 HB VAL 56 -4.164 6.337 -2.048 391 HG11 VAL 56 1HG1 VAL 56 -5.857 7.503 -0.493 392 HG12 VAL 56 2HG1 VAL 56 -6.253 5.872 0.049 393 HG13 VAL 56 3HG1 VAL 56 -4.610 6.488 0.230 394 HG21 VAL 56 3HG2 VAL 56 -4.042 4.120 -1.971 395 HG22 VAL 56 1HG2 VAL 56 -5.335 4.070 -0.772 396 HG23 VAL 56 2HG2 VAL 56 -5.724 4.022 -2.492 397 HA PRO 57 HA PRO 57 -7.471 10.401 -2.986 398 HB2 PRO 57 1HB PRO 57 -8.862 10.896 -0.708 399 HB3 PRO 57 2HB PRO 57 -9.592 10.156 -2.138 400 HG2 PRO 57 1HG PRO 57 -8.584 8.855 0.362 401 HG3 PRO 57 2HG PRO 57 -10.069 8.526 -0.550 402 HD2 PRO 57 1HD PRO 57 -7.856 6.980 -0.762 403 HD3 PRO 57 2HD PRO 57 -8.970 7.243 -2.119 404 H GLY 58 H GLY 58 -5.624 11.528 -2.729 405 HA2 GLY 58 1HA GLY 58 -3.656 11.426 -0.920 406 HA3 GLY 58 2HA GLY 58 -4.203 12.962 -1.576 407 H ALA 59 H ALA 59 -6.751 13.040 -0.354 408 HA ALA 59 HA ALA 59 -6.399 14.439 1.910 409 HB1 ALA 59 3HB ALA 59 -8.623 14.435 1.999 410 HB2 ALA 59 1HB ALA 59 -8.587 13.320 0.632 411 HB3 ALA 59 2HB ALA 59 -8.681 12.694 2.278 412 H ARG 60 H ARG 60 -6.704 10.902 1.784 413 HA ARG 60 HA ARG 60 -5.868 10.779 4.598 414 HB2 ARG 60 1HB ARG 60 -6.747 8.506 4.611 415 HB3 ARG 60 2HB ARG 60 -7.975 9.635 4.056 416 HG2 ARG 60 1HG ARG 60 -7.067 8.959 1.687 417 HG3 ARG 60 2HG ARG 60 -6.521 7.522 2.555 418 HD2 ARG 60 1HD ARG 60 -8.711 7.126 1.611 419 HD3 ARG 60 2HD ARG 60 -8.820 7.174 3.370 420 HE ARG 60 HE ARG 60 -9.350 9.738 2.429 421 HH11 ARG 60 1HH1 ARG 60 -10.746 6.554 2.260 422 HH12 ARG 60 2HH1 ARG 60 -12.371 7.132 2.103 423 HH21 ARG 60 1HH2 ARG 60 -11.486 10.513 2.223 424 HH22 ARG 60 2HH2 ARG 60 -12.791 9.384 2.082 425 H SER 61 H SER 61 -4.326 9.112 5.213 426 HA SER 61 HA SER 61 -2.383 8.570 3.064 427 HB2 SER 61 1HB SER 61 -0.623 8.678 4.767 428 HB3 SER 61 2HB SER 61 -1.551 10.178 4.740 429 HG SER 61 HG SER 61 -2.684 9.443 6.561 430 H HIS 62 H HIS 62 -4.569 6.852 3.685 431 HA HIS 62 HA HIS 62 -3.147 4.399 4.033 432 HB2 HIS 62 1HB HIS 62 -4.647 3.673 5.990 433 HB3 HIS 62 2HB HIS 62 -3.290 4.735 6.355 434 HD1 HIS 62 1HD HIS 62 -3.816 6.971 7.392 435 HD2 HIS 62 2HD HIS 62 -7.206 4.979 6.050 436 HE1 HIS 62 1HE HIS 62 -5.766 8.295 8.270 437 HE2 HIS 62 2HE HIS 62 -7.805 7.023 7.517 438 H VAL 63 H VAL 63 -4.608 2.500 3.850 439 HA VAL 63 HA VAL 63 -7.323 2.829 3.080 440 HB VAL 63 HB VAL 63 -6.058 3.744 1.067 441 HG11 VAL 63 1HG1 VAL 63 -5.316 0.834 0.854 442 HG12 VAL 63 2HG1 VAL 63 -5.239 1.962 -0.501 443 HG13 VAL 63 3HG1 VAL 63 -4.233 2.224 0.924 444 HG21 VAL 63 3HG2 VAL 63 -8.157 3.357 0.370 445 HG22 VAL 63 1HG2 VAL 63 -7.462 1.943 -0.423 446 HG23 VAL 63 2HG2 VAL 63 -8.230 1.780 1.157 447 H THR 64 H THR 64 -8.387 0.862 2.792 448 HA THR 64 HA THR 64 -6.839 -1.469 3.650 449 HB THR 64 HB THR 64 -9.843 -1.288 3.434 450 HG1 THR 64 1HG THR 64 -9.480 -0.991 5.864 451 HG21 THR 64 3HG2 THR 64 -9.601 -3.475 3.887 452 HG22 THR 64 1HG2 THR 64 -9.200 -2.946 5.520 453 HG23 THR 64 2HG2 THR 64 -7.914 -3.283 4.362 454 H LEU 65 H LEU 65 -6.531 -3.226 2.404 455 HA LEU 65 HA LEU 65 -7.624 -3.145 -0.320 456 HB2 LEU 65 1HB LEU 65 -5.321 -4.785 0.717 457 HB3 LEU 65 2HB LEU 65 -5.795 -4.566 -0.966 458 HG LEU 65 HG LEU 65 -4.957 -2.207 0.674 459 HD11 LEU 65 1HD1 LEU 65 -2.668 -2.765 -0.552 460 HD12 LEU 65 2HD1 LEU 65 -3.244 -4.414 -0.314 461 HD13 LEU 65 3HD1 LEU 65 -3.033 -3.346 1.073 462 HD21 LEU 65 3HD2 LEU 65 -5.969 -2.306 -1.773 463 HD22 LEU 65 1HD2 LEU 65 -4.287 -2.636 -2.187 464 HD23 LEU 65 2HD2 LEU 65 -4.709 -1.153 -1.331 465 HA PRO 66 HA PRO 66 -10.162 -6.500 1.411 466 HB2 PRO 66 1HB PRO 66 -12.122 -6.251 -0.450 467 HB3 PRO 66 2HB PRO 66 -12.024 -5.223 0.985 468 HG2 PRO 66 1HG PRO 66 -11.149 -4.649 -1.820 469 HG3 PRO 66 2HG PRO 66 -12.009 -3.598 -0.679 470 HD2 PRO 66 1HD PRO 66 -9.347 -3.389 -1.129 471 HD3 PRO 66 2HD PRO 66 -10.079 -3.031 0.448 472 H ASP 67 H ASP 67 -11.169 -8.428 0.282 473 HA ASP 67 HA ASP 67 -10.971 -10.282 -1.023 474 HB2 ASP 67 1HB ASP 67 -9.674 -8.488 -3.079 475 HB3 ASP 67 2HB ASP 67 -10.493 -10.022 -3.361 476 H LEU 68 H LEU 68 -9.129 -10.191 0.869 477 HA LEU 68 HA LEU 68 -6.631 -10.992 -0.473 478 HB2 LEU 68 1HB LEU 68 -7.097 -9.496 2.076 479 HB3 LEU 68 2HB LEU 68 -5.626 -10.442 1.855 480 HG LEU 68 HG LEU 68 -6.500 -8.183 0.056 481 HD11 LEU 68 1HD1 LEU 68 -4.109 -7.862 1.717 482 HD12 LEU 68 2HD1 LEU 68 -5.626 -7.901 2.614 483 HD13 LEU 68 3HD1 LEU 68 -5.391 -6.714 1.332 484 HD21 LEU 68 3HD2 LEU 68 -3.696 -8.996 0.117 485 HD22 LEU 68 1HD2 LEU 68 -4.751 -8.657 -1.255 486 HD23 LEU 68 2HD2 LEU 68 -4.784 -10.245 -0.489 487 H GLN 69 H GLN 69 -5.285 -12.433 1.107 488 HA GLN 69 HA GLN 69 -7.004 -14.676 1.792 489 HB2 GLN 69 1HB GLN 69 -4.036 -14.336 1.465 490 HB3 GLN 69 2HB GLN 69 -4.706 -15.777 2.218 491 HG2 GLN 69 1HG GLN 69 -5.364 -14.796 -0.550 492 HG3 GLN 69 2HG GLN 69 -4.232 -16.091 -0.164 493 HE21 GLN 69 1HE2 GLN 69 -7.540 -15.172 -0.459 494 HE22 GLN 69 2HE2 GLN 69 -8.221 -16.744 -0.238 495 H ALA 70 H ALA 70 -5.796 -15.981 3.768 496 HA ALA 70 HA ALA 70 -6.093 -14.156 6.051 497 HB1 ALA 70 3HB ALA 70 -6.455 -17.130 5.790 498 HB2 ALA 70 1HB ALA 70 -6.406 -16.304 7.348 499 HB3 ALA 70 2HB ALA 70 -7.668 -15.911 6.180 500 H ALA 71 H ALA 71 -3.932 -16.486 4.575 501 HA ALA 71 HA ALA 71 -1.828 -15.623 6.437 502 HB1 ALA 71 3HB ALA 71 -2.219 -17.694 7.357 503 HB2 ALA 71 1HB ALA 71 -2.675 -18.415 5.813 504 HB3 ALA 71 2HB ALA 71 -0.979 -18.079 6.164 505 H THR 72 H THR 72 -1.547 -14.228 4.446 506 HA THR 72 HA THR 72 0.523 -15.420 2.799 507 HB THR 72 HB THR 72 -1.962 -14.220 1.564 508 HG1 THR 72 1HG THR 72 -0.858 -16.746 0.959 509 HG21 THR 72 3HG2 THR 72 0.390 -15.298 0.043 510 HG22 THR 72 1HG2 THR 72 0.320 -13.606 0.534 511 HG23 THR 72 2HG2 THR 72 -0.922 -14.268 -0.529 512 H LYS 73 H LYS 73 2.030 -13.959 2.114 513 HA LYS 73 HA LYS 73 1.874 -11.311 3.273 514 HB2 LYS 73 1HB LYS 73 4.020 -12.945 1.978 515 HB3 LYS 73 2HB LYS 73 4.229 -11.204 2.105 516 HG2 LYS 73 1HG LYS 73 5.284 -12.030 3.999 517 HG3 LYS 73 2HG LYS 73 3.704 -11.518 4.594 518 HD2 LYS 73 1HD LYS 73 3.932 -13.604 5.564 519 HD3 LYS 73 2HD LYS 73 3.018 -13.980 4.101 520 HE2 LYS 73 1HE LYS 73 5.327 -14.380 3.029 521 HE3 LYS 73 2HE LYS 73 5.923 -14.448 4.686 522 HZ1 LYS 73 3HZ LYS 73 5.265 -16.626 3.612 523 HZ2 LYS 73 1HZ LYS 73 3.659 -16.117 3.770 524 HZ3 LYS 73 2HZ LYS 73 4.622 -16.319 5.146 525 H TYR 74 H TYR 74 1.953 -9.369 2.152 526 HA TYR 74 HA TYR 74 1.658 -9.496 -0.766 527 HB2 TYR 74 1HB TYR 74 -0.151 -7.961 1.111 528 HB3 TYR 74 2HB TYR 74 -0.168 -7.819 -0.643 529 HD1 TYR 74 2HD TYR 74 -0.510 -10.378 2.053 530 HD2 TYR 74 1HD TYR 74 -1.615 -9.152 -1.869 531 HE1 TYR 74 2HE TYR 74 -2.100 -12.249 1.922 532 HE2 TYR 74 1HE TYR 74 -3.210 -11.019 -2.010 533 HH TYR 74 HH TYR 74 -3.834 -12.984 -1.048 534 H ARG 75 H ARG 75 3.285 -8.351 -1.561 535 HA ARG 75 HA ARG 75 4.706 -6.386 -0.095 536 HB2 ARG 75 1HB ARG 75 5.380 -7.875 -2.179 537 HB3 ARG 75 2HB ARG 75 4.834 -6.464 -3.076 538 HG2 ARG 75 1HG ARG 75 6.409 -5.086 -1.712 539 HG3 ARG 75 2HG ARG 75 7.038 -6.589 -1.034 540 HD2 ARG 75 1HD ARG 75 7.229 -7.210 -3.612 541 HD3 ARG 75 2HD ARG 75 7.331 -5.457 -3.762 542 HE ARG 75 HE ARG 75 9.101 -6.623 -1.797 543 HH11 ARG 75 1HH1 ARG 75 8.692 -5.601 -5.099 544 HH12 ARG 75 2HH1 ARG 75 10.390 -5.421 -5.391 545 HH21 ARG 75 1HH2 ARG 75 11.339 -6.390 -2.168 546 HH22 ARG 75 2HH2 ARG 75 11.895 -5.871 -3.723 547 H VAL 76 H VAL 76 3.462 -4.687 0.561 548 HA VAL 76 HA VAL 76 1.706 -3.311 -1.272 549 HB VAL 76 HB VAL 76 2.520 -2.643 1.560 550 HG11 VAL 76 1HG1 VAL 76 1.842 -0.584 0.855 551 HG12 VAL 76 2HG1 VAL 76 0.807 -1.236 -0.416 552 HG13 VAL 76 3HG1 VAL 76 0.271 -1.272 1.264 553 HG21 VAL 76 3HG2 VAL 76 1.148 -4.744 1.087 554 HG22 VAL 76 1HG2 VAL 76 0.493 -3.599 2.257 555 HG23 VAL 76 2HG2 VAL 76 -0.150 -3.648 0.616 556 H LEU 77 H LEU 77 2.619 -2.104 -2.811 557 HA LEU 77 HA LEU 77 4.984 -0.498 -2.152 558 HB2 LEU 77 1HB LEU 77 3.834 -1.568 -4.688 559 HB3 LEU 77 2HB LEU 77 4.861 -0.137 -4.743 560 HG LEU 77 HG LEU 77 6.466 -1.745 -3.337 561 HD11 LEU 77 1HD1 LEU 77 4.432 -3.489 -3.961 562 HD12 LEU 77 2HD1 LEU 77 6.074 -3.933 -3.494 563 HD13 LEU 77 3HD1 LEU 77 5.643 -3.820 -5.200 564 HD21 LEU 77 3HD2 LEU 77 7.776 -1.665 -5.166 565 HD22 LEU 77 1HD2 LEU 77 6.501 -0.618 -5.790 566 HD23 LEU 77 2HD2 LEU 77 6.527 -2.328 -6.222 567 H VAL 78 H VAL 78 4.538 1.491 -1.478 568 HA VAL 78 HA VAL 78 2.275 2.924 -2.707 569 HB VAL 78 HB VAL 78 3.582 3.573 -0.066 570 HG11 VAL 78 1HG1 VAL 78 1.884 5.116 0.267 571 HG12 VAL 78 2HG1 VAL 78 2.239 5.300 -1.451 572 HG13 VAL 78 3HG1 VAL 78 0.832 4.370 -0.935 573 HG21 VAL 78 3HG2 VAL 78 1.237 1.810 -0.706 574 HG22 VAL 78 1HG2 VAL 78 2.638 1.461 0.307 575 HG23 VAL 78 2HG2 VAL 78 1.409 2.596 0.863 576 H SER 79 H SER 79 2.563 4.973 -3.513 577 HA SER 79 HA SER 79 5.179 6.238 -3.300 578 HB2 SER 79 1HB SER 79 3.936 5.542 -5.973 579 HB3 SER 79 2HB SER 79 5.399 6.498 -5.737 580 HG SER 79 HG SER 79 5.012 3.763 -5.548 581 H ALA 80 H ALA 80 4.937 8.347 -2.989 582 HA ALA 80 HA ALA 80 2.355 9.568 -3.139 583 HB1 ALA 80 3HB ALA 80 4.721 11.299 -2.817 584 HB2 ALA 80 1HB ALA 80 3.234 11.216 -1.872 585 HB3 ALA 80 2HB ALA 80 4.515 10.032 -1.608 586 H ILE 81 H ILE 81 1.483 10.734 -4.733 587 HA ILE 81 HA ILE 81 3.105 11.219 -7.126 588 HB ILE 81 HB ILE 81 0.121 11.144 -6.706 589 HG12 ILE 81 1HG1 ILE 81 0.177 9.228 -8.149 590 HG13 ILE 81 2HG1 ILE 81 1.867 9.509 -8.552 591 HG21 ILE 81 1HG2 ILE 81 1.615 11.837 -9.232 592 HG22 ILE 81 2HG2 ILE 81 -0.129 11.633 -9.079 593 HG23 ILE 81 3HG2 ILE 81 0.679 12.962 -8.248 594 HD11 ILE 81 3HD1 ILE 81 1.402 7.636 -6.944 595 HD12 ILE 81 1HD1 ILE 81 2.586 8.830 -6.413 596 HD13 ILE 81 2HD1 ILE 81 0.944 8.869 -5.770 597 H TYR 82 H TYR 82 3.625 13.208 -7.797 598 HA TYR 82 HA TYR 82 2.332 15.500 -6.471 599 HB2 TYR 82 1HB TYR 82 5.239 15.280 -7.279 600 HB3 TYR 82 2HB TYR 82 4.478 16.678 -6.528 601 HD1 TYR 82 1HD TYR 82 3.806 16.607 -4.166 602 HD2 TYR 82 2HD TYR 82 5.849 13.347 -5.984 603 HE1 TYR 82 1HE TYR 82 4.330 15.701 -1.940 604 HE2 TYR 82 2HE TYR 82 6.377 12.432 -3.763 605 HH TYR 82 HH TYR 82 5.464 12.567 -1.451 606 H ALA 83 H ALA 83 2.712 17.581 -7.731 607 HA ALA 83 HA ALA 83 1.509 17.435 -10.219 608 HB1 ALA 83 3HB ALA 83 1.352 19.592 -9.699 609 HB2 ALA 83 1HB ALA 83 2.718 19.491 -8.588 610 HB3 ALA 83 2HB ALA 83 2.998 19.778 -10.305 611 H ALA 84 H ALA 84 4.962 17.708 -9.443 612 HA ALA 84 HA ALA 84 5.795 17.737 -12.176 613 HB1 ALA 84 3HB ALA 84 7.171 17.561 -9.540 614 HB2 ALA 84 1HB ALA 84 8.061 17.127 -11.000 615 HB3 ALA 84 2HB ALA 84 7.364 18.739 -10.838 616 H GLY 85 H GLY 85 5.972 15.269 -9.603 617 HA2 GLY 85 1HA GLY 85 5.334 13.136 -11.349 618 HA3 GLY 85 2HA GLY 85 7.076 13.217 -11.132 619 H ARG 86 H ARG 86 5.796 10.966 -10.352 620 HA ARG 86 HA ARG 86 5.209 11.135 -7.514 621 HB2 ARG 86 1HB ARG 86 4.759 8.712 -7.704 622 HB3 ARG 86 2HB ARG 86 3.836 9.660 -8.862 623 HG2 ARG 86 1HG ARG 86 5.100 8.922 -10.665 624 HG3 ARG 86 2HG ARG 86 6.441 8.411 -9.638 625 HD2 ARG 86 1HD ARG 86 4.972 6.643 -8.698 626 HD3 ARG 86 2HD ARG 86 3.728 7.113 -9.855 627 HE ARG 86 HE ARG 86 5.789 6.613 -11.473 628 HH11 ARG 86 1HH1 ARG 86 4.492 4.807 -8.794 629 HH12 ARG 86 2HH1 ARG 86 4.957 3.267 -9.438 630 HH21 ARG 86 1HH2 ARG 86 6.406 4.592 -12.331 631 HH22 ARG 86 2HH2 ARG 86 6.046 3.146 -11.450 632 H SER 87 H SER 87 6.437 10.264 -5.876 633 HA SER 87 HA SER 87 9.258 10.097 -6.375 634 HB2 SER 87 1HB SER 87 9.467 9.832 -3.955 635 HB3 SER 87 2HB SER 87 8.343 11.140 -4.323 636 HG SER 87 HG SER 87 7.099 8.726 -4.128 637 H GLU 88 H GLU 88 10.486 8.257 -5.183 638 HA GLU 88 HA GLU 88 10.202 5.909 -6.572 639 HB2 GLU 88 1HB GLU 88 11.766 4.939 -5.094 640 HB3 GLU 88 2HB GLU 88 12.149 6.655 -5.116 641 HG2 GLU 88 1HG GLU 88 11.106 6.987 -2.995 642 HG3 GLU 88 2HG GLU 88 10.470 5.343 -2.995 643 H ALA 89 H ALA 89 9.915 3.690 -5.321 644 HA ALA 89 HA ALA 89 7.299 3.812 -3.967 645 HB1 ALA 89 3HB ALA 89 6.794 1.630 -4.968 646 HB2 ALA 89 1HB ALA 89 7.093 2.863 -6.194 647 HB3 ALA 89 2HB ALA 89 8.338 1.671 -5.819 648 H VAL 90 H VAL 90 7.150 2.908 -2.012 649 HA VAL 90 HA VAL 90 9.480 1.447 -0.991 650 HB VAL 90 HB VAL 90 8.301 1.822 1.255 651 HG11 VAL 90 1HG1 VAL 90 9.092 4.216 1.336 652 HG12 VAL 90 2HG1 VAL 90 10.274 3.041 0.757 653 HG13 VAL 90 3HG1 VAL 90 9.425 4.078 -0.390 654 HG21 VAL 90 3HG2 VAL 90 6.886 4.036 -0.190 655 HG22 VAL 90 1HG2 VAL 90 6.133 2.456 0.025 656 HG23 VAL 90 2HG2 VAL 90 6.600 3.409 1.433 657 H SER 91 H SER 91 9.392 -0.667 -0.615 658 HA SER 91 HA SER 91 6.822 -2.032 -0.892 659 HB2 SER 91 1HB SER 91 8.041 -3.998 -1.385 660 HB3 SER 91 2HB SER 91 8.932 -2.705 -2.188 661 HG SER 91 HG SER 91 10.570 -3.054 -0.913 662 H ALA 92 H ALA 92 6.143 -3.644 0.600 663 HA ALA 92 HA ALA 92 7.488 -4.047 3.088 664 HB1 ALA 92 3HB ALA 92 5.427 -1.954 2.892 665 HB2 ALA 92 1HB ALA 92 5.258 -3.070 4.248 666 HB3 ALA 92 2HB ALA 92 6.747 -2.147 4.045 667 H THR 93 H THR 93 7.040 -6.076 3.602 668 HA THR 93 HA THR 93 4.682 -7.370 2.505 669 HB THR 93 HB THR 93 5.687 -9.439 3.568 670 HG1 THR 93 1HG THR 93 8.146 -8.178 3.763 671 HG21 THR 93 3HG2 THR 93 6.119 -8.407 1.173 672 HG22 THR 93 1HG2 THR 93 7.010 -9.822 1.733 673 HG23 THR 93 2HG2 THR 93 7.756 -8.225 1.802 674 H GLY 94 H GLY 94 2.925 -8.009 3.629 675 HA2 GLY 94 1HA GLY 94 3.009 -7.970 6.558 676 HA3 GLY 94 2HA GLY 94 1.852 -6.916 5.759 677 H GLN 95 H GLN 95 2.691 -10.206 6.530 678 HA GLN 95 HA GLN 95 0.876 -11.661 5.069 679 HB2 GLN 95 1HB GLN 95 2.579 -12.596 6.632 680 HB3 GLN 95 2HB GLN 95 1.544 -12.135 7.978 681 HG2 GLN 95 1HG GLN 95 -0.245 -13.569 6.817 682 HG3 GLN 95 2HG GLN 95 1.103 -14.242 5.902 683 HE21 GLN 95 1HE2 GLN 95 -0.755 -15.353 7.979 684 HE22 GLN 95 2HE2 GLN 95 0.288 -16.069 9.155 685 H THR 96 H THR 96 -1.240 -12.432 5.460 686 HA THR 96 HA THR 96 -2.957 -10.449 6.696 687 HB THR 96 HB THR 96 -4.774 -12.112 5.837 688 HG1 THR 96 1HG THR 96 -3.809 -13.229 3.919 689 HG21 THR 96 3HG2 THR 96 -4.676 -10.084 4.720 690 HG22 THR 96 1HG2 THR 96 -4.304 -11.227 3.430 691 HG23 THR 96 2HG2 THR 96 -3.005 -10.327 4.212 692 H ALA 97 H ALA 97 -4.954 -11.397 7.880 693 HA ALA 97 HA ALA 97 -3.963 -12.758 10.209 694 HB1 ALA 97 3HB ALA 97 -5.712 -11.835 11.243 695 HB2 ALA 97 1HB ALA 97 -5.988 -10.956 9.739 696 HB3 ALA 97 2HB ALA 97 -6.854 -12.460 10.053 697 H CYS 98 H CYS 98 -4.062 -14.863 10.658 698 HA CYS 98 HA CYS 98 -4.823 -16.772 8.756 699 HB2 CYS 98 1HB CYS 98 -4.035 -16.834 11.625 700 HB3 CYS 98 2HB CYS 98 -4.830 -18.263 10.977 701 HG CYS 98 HG CYS 98 -2.269 -18.995 10.748 702 HA PRO 99 HA PRO 99 -9.126 -17.426 9.283 703 HB2 PRO 99 1HB PRO 99 -9.341 -20.129 9.149 704 HB3 PRO 99 2HB PRO 99 -8.966 -19.125 7.744 705 HG2 PRO 99 1HG PRO 99 -7.118 -20.707 9.488 706 HG3 PRO 99 2HG PRO 99 -7.131 -20.554 7.721 707 HD2 PRO 99 1HD PRO 99 -5.416 -19.167 9.291 708 HD3 PRO 99 2HD PRO 99 -6.049 -18.519 7.764 709 H SER 100 H SER 100 -6.993 -18.178 11.682 710 HA SER 100 HA SER 100 -8.507 -19.794 13.428 711 HB2 SER 100 1HB SER 100 -6.008 -19.189 13.554 712 HB3 SER 100 2HB SER 100 -6.537 -17.710 14.355 713 HG SER 100 HG SER 100 -6.367 -18.993 16.044 714 H GLY 101 H GLY 101 -7.907 -16.276 13.615 715 HA2 GLY 101 1HA GLY 101 -9.255 -14.561 14.340 716 HA3 GLY 101 2HA GLY 101 -10.625 -15.637 14.111 717 HA PRO 102 HA PRO 102 -10.388 -14.813 18.624 718 HB2 PRO 102 1HB PRO 102 -13.080 -14.756 18.969 719 HB3 PRO 102 2HB PRO 102 -12.147 -13.346 18.455 720 HG2 PRO 102 1HG PRO 102 -13.755 -15.258 16.805 721 HG3 PRO 102 2HG PRO 102 -13.666 -13.490 16.699 722 HD2 PRO 102 1HD PRO 102 -12.309 -15.121 15.016 723 HD3 PRO 102 2HD PRO 102 -11.687 -13.535 15.517 724 H SER 103 H SER 103 -9.641 -16.801 19.278 725 HA SER 103 HA SER 103 -11.350 -19.142 19.027 726 HB2 SER 103 1HB SER 103 -8.754 -19.045 18.723 727 HB3 SER 103 2HB SER 103 -8.725 -19.134 20.484 728 HG SER 103 HG SER 103 -10.145 -21.033 20.180 729 H SER 104 H SER 104 -12.730 -19.745 20.547 730 HA SER 104 HA SER 104 -13.123 -18.352 22.941 731 HB2 SER 104 1HB SER 104 -14.837 -19.757 21.771 732 HB3 SER 104 2HB SER 104 -13.996 -21.191 22.359 733 HG SER 104 HG SER 104 -14.547 -19.364 24.323 734 H GLY 105 H GLY 105 -12.212 -18.472 24.892 735 HA2 GLY 105 1HA GLY 105 -10.911 -19.197 26.641 736 HA3 GLY 105 2HA GLY 105 -11.211 -20.832 26.071 Start of MODEL 12 1 H1 GLY 1 H GLY 1 28.566 8.198 -3.140 2 HA2 GLY 1 1HA GLY 1 26.135 9.116 -4.206 3 HA3 GLY 1 2HA GLY 1 26.320 7.726 -3.146 4 H SER 2 H SER 2 24.775 10.587 -3.461 5 HA SER 2 HA SER 2 24.443 10.843 -0.547 6 HB2 SER 2 1HB SER 2 25.761 12.743 -1.306 7 HB3 SER 2 2HB SER 2 24.580 13.094 -2.568 8 HG SER 2 HG SER 2 23.209 13.866 -1.101 9 H SER 3 H SER 3 22.471 10.109 -0.113 10 HA SER 3 HA SER 3 20.311 10.509 -2.039 11 HB2 SER 3 1HB SER 3 20.393 8.872 0.507 12 HB3 SER 3 2HB SER 3 19.049 8.919 -0.634 13 HG SER 3 HG SER 3 20.313 7.143 -1.110 14 H GLY 4 H GLY 4 19.332 12.427 -1.867 15 HA2 GLY 4 1HA GLY 4 18.257 13.176 0.757 16 HA3 GLY 4 2HA GLY 4 19.239 14.354 -0.101 17 H SER 5 H SER 5 16.142 12.970 0.248 18 HA SER 5 HA SER 5 14.935 13.491 -2.196 19 HB2 SER 5 1HB SER 5 12.822 13.538 -0.988 20 HB3 SER 5 2HB SER 5 13.857 12.278 -0.316 21 HG SER 5 HG SER 5 12.919 14.596 0.836 22 H SER 6 H SER 6 14.563 15.292 -3.297 23 HA SER 6 HA SER 6 14.347 17.833 -1.830 24 HB2 SER 6 1HB SER 6 15.595 18.938 -3.677 25 HB3 SER 6 2HB SER 6 16.575 17.761 -2.803 26 HG SER 6 HG SER 6 15.169 16.859 -5.033 27 H GLY 7 H GLY 7 12.098 17.804 -2.019 28 HA2 GLY 7 1HA GLY 7 10.450 19.037 -3.334 29 HA3 GLY 7 2HA GLY 7 11.119 18.269 -4.766 30 H ARG 8 H ARG 8 11.209 15.668 -4.225 31 HA ARG 8 HA ARG 8 8.415 14.985 -3.583 32 HB2 ARG 8 1HB ARG 8 10.309 13.595 -5.487 33 HB3 ARG 8 2HB ARG 8 8.662 13.089 -5.135 34 HG2 ARG 8 1HG ARG 8 7.740 14.953 -6.222 35 HG3 ARG 8 2HG ARG 8 9.288 15.801 -6.252 36 HD2 ARG 8 1HD ARG 8 9.051 13.170 -7.632 37 HD3 ARG 8 2HD ARG 8 8.355 14.599 -8.396 38 HE ARG 8 HE ARG 8 10.939 15.266 -7.652 39 HH11 ARG 8 1HH1 ARG 8 9.370 12.998 -9.777 40 HH12 ARG 8 2HH1 ARG 8 10.684 12.947 -10.906 41 HH21 ARG 8 1HH2 ARG 8 12.675 15.208 -9.131 42 HH22 ARG 8 2HH2 ARG 8 12.563 14.204 -10.537 43 H SER 9 H SER 9 8.190 13.896 -1.755 44 HA SER 9 HA SER 9 10.369 12.101 -0.908 45 HB2 SER 9 1HB SER 9 9.968 14.193 0.503 46 HB3 SER 9 2HB SER 9 8.436 13.457 0.974 47 HG SER 9 HG SER 9 10.988 12.864 1.775 48 HA PRO 10 HA PRO 10 7.223 8.988 -1.391 49 HB2 PRO 10 1HB PRO 10 8.765 6.907 -0.575 50 HB3 PRO 10 2HB PRO 10 8.904 7.635 -2.180 51 HG2 PRO 10 1HG PRO 10 10.586 8.083 0.256 52 HG3 PRO 10 2HG PRO 10 11.092 7.881 -1.432 53 HD2 PRO 10 1HD PRO 10 10.929 10.307 -0.241 54 HD3 PRO 10 2HD PRO 10 10.609 10.069 -1.971 55 HA PRO 11 HA PRO 11 5.546 8.413 2.637 56 HB2 PRO 11 1HB PRO 11 4.260 6.042 2.332 57 HB3 PRO 11 2HB PRO 11 3.684 7.547 1.606 58 HG2 PRO 11 1HG PRO 11 5.249 5.321 0.359 59 HG3 PRO 11 2HG PRO 11 3.872 6.226 -0.298 60 HD2 PRO 11 1HD PRO 11 6.433 6.753 -1.004 61 HD3 PRO 11 2HD PRO 11 5.185 8.014 -0.924 62 H SER 12 H SER 12 6.547 7.848 4.455 63 HA SER 12 HA SER 12 8.061 5.319 4.502 64 HB2 SER 12 1HB SER 12 8.608 7.813 6.129 65 HB3 SER 12 2HB SER 12 9.584 6.345 6.097 66 HG SER 12 HG SER 12 10.262 6.821 4.083 67 H ASN 13 H ASN 13 8.473 4.715 6.963 68 HA ASN 13 HA ASN 13 7.586 3.866 8.877 69 HB2 ASN 13 1HB ASN 13 5.931 6.356 8.547 70 HB3 ASN 13 2HB ASN 13 5.627 5.237 9.872 71 HD21 ASN 13 1HD2 ASN 13 7.340 7.908 8.898 72 HD22 ASN 13 2HD2 ASN 13 8.546 7.923 10.134 73 H LEU 14 H LEU 14 6.775 2.698 6.482 74 HA LEU 14 HA LEU 14 3.992 2.368 6.228 75 HB2 LEU 14 1HB LEU 14 6.403 0.913 5.290 76 HB3 LEU 14 2HB LEU 14 4.859 0.067 5.219 77 HG LEU 14 HG LEU 14 5.472 2.698 3.874 78 HD11 LEU 14 1HD1 LEU 14 5.954 1.594 1.961 79 HD12 LEU 14 2HD1 LEU 14 4.879 0.247 2.333 80 HD13 LEU 14 3HD1 LEU 14 6.467 0.343 3.094 81 HD21 LEU 14 3HD2 LEU 14 3.299 2.899 3.452 82 HD22 LEU 14 1HD2 LEU 14 3.019 1.602 4.614 83 HD23 LEU 14 2HD2 LEU 14 3.190 1.227 2.899 84 H ALA 15 H ALA 15 2.554 1.151 7.291 85 HA ALA 15 HA ALA 15 3.529 -0.969 9.073 86 HB1 ALA 15 3HB ALA 15 2.876 0.058 10.930 87 HB2 ALA 15 1HB ALA 15 2.579 1.507 9.969 88 HB3 ALA 15 2HB ALA 15 1.273 0.357 10.259 89 H LEU 16 H LEU 16 2.694 -2.731 8.130 90 HA LEU 16 HA LEU 16 0.013 -2.658 6.993 91 HB2 LEU 16 1HB LEU 16 2.357 -4.461 6.814 92 HB3 LEU 16 2HB LEU 16 0.766 -5.192 6.612 93 HG LEU 16 HG LEU 16 0.346 -3.507 4.786 94 HD11 LEU 16 1HD1 LEU 16 3.260 -2.965 5.283 95 HD12 LEU 16 2HD1 LEU 16 1.924 -1.815 5.247 96 HD13 LEU 16 3HD1 LEU 16 2.461 -2.589 3.756 97 HD21 LEU 16 3HD2 LEU 16 2.590 -5.497 4.491 98 HD22 LEU 16 1HD2 LEU 16 1.767 -4.715 3.141 99 HD23 LEU 16 2HD2 LEU 16 0.869 -5.778 4.224 100 H ALA 17 H ALA 17 -1.687 -3.118 8.209 101 HA ALA 17 HA ALA 17 -1.343 -4.970 10.476 102 HB1 ALA 17 3HB ALA 17 -3.464 -3.784 11.329 103 HB2 ALA 17 1HB ALA 17 -1.921 -2.936 11.441 104 HB3 ALA 17 2HB ALA 17 -3.057 -2.535 10.152 105 H SER 18 H SER 18 -2.566 -6.761 10.559 106 HA SER 18 HA SER 18 -4.585 -7.117 8.447 107 HB2 SER 18 1HB SER 18 -2.604 -8.656 8.416 108 HB3 SER 18 2HB SER 18 -3.122 -9.277 9.983 109 HG SER 18 HG SER 18 -5.014 -9.230 7.940 110 H GLU 19 H GLU 19 -6.596 -6.896 9.152 111 HA GLU 19 HA GLU 19 -7.232 -7.701 11.908 112 HB2 GLU 19 1HB GLU 19 -8.945 -5.981 10.122 113 HB3 GLU 19 2HB GLU 19 -9.050 -6.171 11.867 114 HG2 GLU 19 1HG GLU 19 -7.031 -4.654 10.264 115 HG3 GLU 19 2HG GLU 19 -8.075 -4.081 11.563 116 H THR 20 H THR 20 -8.024 -8.200 8.552 117 HA THR 20 HA THR 20 -9.659 -10.505 9.318 118 HB THR 20 HB THR 20 -11.447 -9.113 8.874 119 HG1 THR 20 1HG THR 20 -12.217 -10.286 7.299 120 HG21 THR 20 3HG2 THR 20 -9.965 -7.863 6.562 121 HG22 THR 20 1HG2 THR 20 -10.014 -7.185 8.188 122 HG23 THR 20 2HG2 THR 20 -11.501 -7.340 7.252 123 HA PRO 21 HA PRO 21 -7.321 -12.526 6.184 124 HB2 PRO 21 1HB PRO 21 -8.989 -14.603 5.659 125 HB3 PRO 21 2HB PRO 21 -8.023 -14.495 7.136 126 HG2 PRO 21 1HG PRO 21 -10.909 -13.826 6.706 127 HG3 PRO 21 2HG PRO 21 -10.150 -14.691 8.055 128 HD2 PRO 21 1HD PRO 21 -10.855 -12.081 8.211 129 HD3 PRO 21 2HD PRO 21 -9.454 -12.746 9.077 130 H ASP 22 H ASP 22 -10.065 -10.791 5.594 131 HA ASP 22 HA ASP 22 -10.047 -11.451 2.722 132 HB2 ASP 22 1HB ASP 22 -12.303 -9.930 3.954 133 HB3 ASP 22 2HB ASP 22 -12.312 -11.031 2.579 134 H SER 23 H SER 23 -8.988 -9.233 4.919 135 HA SER 23 HA SER 23 -8.431 -7.288 2.874 136 HB2 SER 23 1HB SER 23 -9.930 -6.237 5.260 137 HB3 SER 23 2HB SER 23 -9.630 -5.452 3.710 138 HG SER 23 HG SER 23 -11.604 -6.133 3.349 139 H LEU 24 H LEU 24 -6.772 -5.863 3.439 140 HA LEU 24 HA LEU 24 -5.541 -6.323 6.074 141 HB2 LEU 24 1HB LEU 24 -4.353 -7.543 4.288 142 HB3 LEU 24 2HB LEU 24 -4.090 -6.016 3.449 143 HG LEU 24 HG LEU 24 -2.942 -5.400 5.776 144 HD11 LEU 24 1HD1 LEU 24 -2.226 -7.108 7.042 145 HD12 LEU 24 2HD1 LEU 24 -1.926 -8.151 5.652 146 HD13 LEU 24 3HD1 LEU 24 -3.560 -7.987 6.295 147 HD21 LEU 24 3HD2 LEU 24 -1.040 -6.963 4.309 148 HD22 LEU 24 1HD2 LEU 24 -1.203 -5.209 4.412 149 HD23 LEU 24 2HD2 LEU 24 -2.103 -6.109 3.190 150 H GLN 25 H GLN 25 -5.115 -4.533 7.191 151 HA GLN 25 HA GLN 25 -5.661 -1.958 6.014 152 HB2 GLN 25 1HB GLN 25 -6.139 -2.865 8.455 153 HB3 GLN 25 2HB GLN 25 -4.523 -2.241 8.758 154 HG2 GLN 25 1HG GLN 25 -5.846 -0.453 9.329 155 HG3 GLN 25 2HG GLN 25 -5.420 -0.076 7.660 156 HE21 GLN 25 1HE2 GLN 25 -7.833 -2.222 9.128 157 HE22 GLN 25 2HE2 GLN 25 -9.190 -1.544 8.301 158 H VAL 26 H VAL 26 -4.230 -0.296 5.661 159 HA VAL 26 HA VAL 26 -1.409 -0.680 6.272 160 HB VAL 26 HB VAL 26 -1.504 -1.711 4.112 161 HG11 VAL 26 1HG1 VAL 26 -2.964 0.767 3.203 162 HG12 VAL 26 2HG1 VAL 26 -2.377 -0.509 2.135 163 HG13 VAL 26 3HG1 VAL 26 -3.626 -0.863 3.330 164 HG21 VAL 26 3HG2 VAL 26 -0.104 0.758 4.581 165 HG22 VAL 26 1HG2 VAL 26 0.438 -0.696 3.743 166 HG23 VAL 26 2HG2 VAL 26 -0.439 0.555 2.861 167 H SER 27 H SER 27 -0.497 1.178 6.874 168 HA SER 27 HA SER 27 -1.699 3.703 5.962 169 HB2 SER 27 1HB SER 27 -2.398 3.067 8.319 170 HB3 SER 27 2HB SER 27 -0.708 3.264 8.783 171 HG SER 27 HG SER 27 -2.197 5.147 9.006 172 H TRP 28 H TRP 28 -0.156 5.582 6.778 173 HA TRP 28 HA TRP 28 2.613 5.060 6.968 174 HB2 TRP 28 1HB TRP 28 3.258 5.966 4.709 175 HB3 TRP 28 2HB TRP 28 2.520 4.366 4.679 176 HD1 TRP 28 HD TRP 28 1.769 8.021 3.768 177 HE1 TRP 28 1HE TRP 28 -0.191 8.057 2.099 178 HE3 TRP 28 3HE TRP 28 0.514 3.066 3.882 179 HZ2 TRP 28 2HZ TRP 28 -2.026 6.227 0.980 180 HZ3 TRP 28 3HZ TRP 28 -1.356 2.291 2.482 181 HH2 TRP 28 HH TRP 28 -2.598 3.840 1.063 182 H THR 29 H THR 29 3.893 7.162 6.410 183 HA THR 29 HA THR 29 2.350 9.389 7.542 184 HB THR 29 HB THR 29 5.295 8.764 7.532 185 HG1 THR 29 1HG THR 29 4.946 8.446 9.616 186 HG21 THR 29 3HG2 THR 29 3.931 11.398 7.966 187 HG22 THR 29 1HG2 THR 29 5.403 11.042 7.063 188 HG23 THR 29 2HG2 THR 29 5.420 11.007 8.827 189 HA PRO 30 HA PRO 30 2.484 11.253 3.497 190 HB2 PRO 30 1HB PRO 30 1.240 13.558 4.213 191 HB3 PRO 30 2HB PRO 30 0.374 12.038 3.959 192 HG2 PRO 30 1HG PRO 30 1.265 13.305 6.521 193 HG3 PRO 30 2HG PRO 30 -0.276 12.516 6.140 194 HD2 PRO 30 1HD PRO 30 1.696 11.274 7.519 195 HD3 PRO 30 2HD PRO 30 0.589 10.401 6.439 196 HA PRO 31 HA PRO 31 6.151 13.713 3.863 197 HB2 PRO 31 1HB PRO 31 6.195 14.666 1.321 198 HB3 PRO 31 2HB PRO 31 6.643 13.007 1.733 199 HG2 PRO 31 1HG PRO 31 4.059 14.057 0.646 200 HG3 PRO 31 2HG PRO 31 4.957 12.599 0.184 201 HD2 PRO 31 1HD PRO 31 2.801 12.525 1.822 202 HD3 PRO 31 2HD PRO 31 4.155 11.386 1.973 203 H LEU 32 H LEU 32 6.851 16.001 3.296 204 HA LEU 32 HA LEU 32 5.015 17.836 4.442 205 HB2 LEU 32 1HB LEU 32 7.469 17.996 4.667 206 HB3 LEU 32 2HB LEU 32 7.577 18.398 2.955 207 HG LEU 32 HG LEU 32 5.904 20.120 4.720 208 HD11 LEU 32 1HD1 LEU 32 7.694 20.273 6.116 209 HD12 LEU 32 2HD1 LEU 32 8.183 21.456 4.904 210 HD13 LEU 32 3HD1 LEU 32 8.853 19.826 4.865 211 HD21 LEU 32 3HD2 LEU 32 7.790 21.103 2.649 212 HD22 LEU 32 1HD2 LEU 32 6.180 21.678 3.082 213 HD23 LEU 32 2HD2 LEU 32 6.363 20.216 2.111 214 H GLY 33 H GLY 33 6.297 17.460 1.142 215 HA2 GLY 33 1HA GLY 33 4.681 19.574 0.079 216 HA3 GLY 33 2HA GLY 33 5.619 18.412 -0.848 217 H ARG 34 H ARG 34 2.647 19.524 -0.605 218 HA ARG 34 HA ARG 34 0.827 17.575 -0.139 219 HB2 ARG 34 1HB ARG 34 -0.654 18.812 -1.357 220 HB3 ARG 34 2HB ARG 34 0.643 19.994 -1.237 221 HG2 ARG 34 1HG ARG 34 0.327 18.114 -3.562 222 HG3 ARG 34 2HG ARG 34 -0.370 19.734 -3.511 223 HD2 ARG 34 1HD ARG 34 2.071 20.451 -2.923 224 HD3 ARG 34 2HD ARG 34 2.495 18.901 -3.648 225 HE ARG 34 HE ARG 34 0.923 19.984 -5.529 226 HH11 ARG 34 1HH1 ARG 34 3.621 21.261 -3.737 227 HH12 ARG 34 2HH1 ARG 34 4.130 22.322 -5.008 228 HH21 ARG 34 1HH2 ARG 34 1.583 21.377 -7.210 229 HH22 ARG 34 2HH2 ARG 34 2.970 22.389 -6.983 230 H VAL 35 H VAL 35 -0.262 16.001 -1.458 231 HA VAL 35 HA VAL 35 1.361 14.937 -3.670 232 HB VAL 35 HB VAL 35 0.090 13.298 -1.473 233 HG11 VAL 35 1HG1 VAL 35 0.998 11.360 -2.589 234 HG12 VAL 35 2HG1 VAL 35 -0.041 12.246 -3.707 235 HG13 VAL 35 3HG1 VAL 35 1.713 12.375 -3.841 236 HG21 VAL 35 3HG2 VAL 35 2.353 12.690 -0.862 237 HG22 VAL 35 1HG2 VAL 35 2.999 13.674 -2.175 238 HG23 VAL 35 2HG2 VAL 35 2.176 14.444 -0.819 239 H LEU 36 H LEU 36 0.108 15.265 -5.401 240 HA LEU 36 HA LEU 36 -2.529 15.688 -5.666 241 HB2 LEU 36 1HB LEU 36 -1.001 13.862 -7.510 242 HB3 LEU 36 2HB LEU 36 -2.422 14.824 -7.911 243 HG LEU 36 HG LEU 36 0.323 15.891 -7.252 244 HD11 LEU 36 1HD1 LEU 36 -1.212 15.677 -9.835 245 HD12 LEU 36 2HD1 LEU 36 0.317 14.900 -9.427 246 HD13 LEU 36 3HD1 LEU 36 0.244 16.651 -9.622 247 HD21 LEU 36 3HD2 LEU 36 -0.719 17.787 -6.742 248 HD22 LEU 36 1HD2 LEU 36 -2.284 17.127 -7.218 249 HD23 LEU 36 2HD2 LEU 36 -1.239 17.876 -8.425 250 H HIS 37 H HIS 37 -1.095 12.424 -5.788 251 HA HIS 37 HA HIS 37 -3.368 11.317 -4.404 252 HB2 HIS 37 1HB HIS 37 -3.771 9.618 -6.261 253 HB3 HIS 37 2HB HIS 37 -4.374 11.248 -6.546 254 HD1 HIS 37 1HD HIS 37 -2.318 8.657 -8.033 255 HD2 HIS 37 2HD HIS 37 -2.591 12.794 -8.303 256 HE1 HIS 37 1HE HIS 37 -1.115 9.273 -10.153 257 HE2 HIS 37 2HE HIS 37 -1.219 11.788 -10.252 258 H TYR 38 H TYR 38 -3.059 9.077 -3.817 259 HA TYR 38 HA TYR 38 -0.208 8.367 -3.741 260 HB2 TYR 38 1HB TYR 38 -2.513 7.736 -1.908 261 HB3 TYR 38 2HB TYR 38 -1.000 6.838 -1.835 262 HD1 TYR 38 2HD TYR 38 1.090 8.732 -2.059 263 HD2 TYR 38 1HD TYR 38 -2.682 9.212 -0.149 264 HE1 TYR 38 2HE TYR 38 2.053 10.466 -0.604 265 HE2 TYR 38 1HE TYR 38 -1.730 10.948 1.310 266 HH TYR 38 HH TYR 38 0.061 12.383 1.537 267 H TRP 39 H TRP 39 0.249 7.043 -5.390 268 HA TRP 39 HA TRP 39 -1.656 5.109 -6.364 269 HB2 TRP 39 1HB TRP 39 0.003 6.381 -7.806 270 HB3 TRP 39 2HB TRP 39 1.254 5.339 -7.134 271 HD1 TRP 39 HD TRP 39 1.864 3.610 -8.911 272 HE1 TRP 39 1HE TRP 39 0.567 2.095 -10.539 273 HE3 TRP 39 3HE TRP 39 -2.881 5.241 -7.931 274 HZ2 TRP 39 2HZ TRP 39 -2.113 1.651 -11.306 275 HZ3 TRP 39 3HZ TRP 39 -4.755 4.220 -9.155 276 HH2 TRP 39 HH TRP 39 -4.377 2.463 -10.807 277 H LEU 40 H LEU 40 -2.028 3.420 -5.053 278 HA LEU 40 HA LEU 40 0.226 2.121 -3.712 279 HB2 LEU 40 1HB LEU 40 -2.120 2.779 -2.685 280 HB3 LEU 40 2HB LEU 40 -2.586 1.217 -3.357 281 HG LEU 40 HG LEU 40 -0.171 1.340 -1.622 282 HD11 LEU 40 1HD1 LEU 40 -2.742 0.923 -0.240 283 HD12 LEU 40 2HD1 LEU 40 -2.351 2.585 -0.677 284 HD13 LEU 40 3HD1 LEU 40 -1.246 1.657 0.336 285 HD21 LEU 40 3HD2 LEU 40 -0.571 -0.886 -1.302 286 HD22 LEU 40 1HD2 LEU 40 -1.283 -0.682 -2.902 287 HD23 LEU 40 2HD2 LEU 40 -2.318 -0.712 -1.475 288 H THR 41 H THR 41 0.920 0.110 -4.197 289 HA THR 41 HA THR 41 -0.578 -1.414 -6.223 290 HB THR 41 HB THR 41 1.771 -2.185 -7.009 291 HG1 THR 41 1HG THR 41 3.440 -0.904 -6.483 292 HG21 THR 41 3HG2 THR 41 1.651 0.522 -7.967 293 HG22 THR 41 1HG2 THR 41 0.025 -0.146 -7.838 294 HG23 THR 41 2HG2 THR 41 1.245 -0.975 -8.805 295 H TYR 42 H TYR 42 -1.404 -2.714 -4.524 296 HA TYR 42 HA TYR 42 0.468 -4.211 -2.886 297 HB2 TYR 42 1HB TYR 42 -1.426 -5.004 -1.691 298 HB3 TYR 42 2HB TYR 42 -1.753 -3.311 -2.045 299 HD1 TYR 42 1HD TYR 42 -3.464 -2.688 -3.673 300 HD2 TYR 42 2HD TYR 42 -2.721 -6.768 -2.720 301 HE1 TYR 42 1HE TYR 42 -5.596 -3.316 -4.726 302 HE2 TYR 42 2HE TYR 42 -4.851 -7.407 -3.771 303 HH TYR 42 HH TYR 42 -6.640 -6.710 -4.878 304 H ALA 43 H ALA 43 0.639 -6.482 -2.882 305 HA ALA 43 HA ALA 43 -0.710 -8.185 -4.679 306 HB1 ALA 43 3HB ALA 43 0.365 -7.797 -6.585 307 HB2 ALA 43 1HB ALA 43 1.522 -6.732 -5.787 308 HB3 ALA 43 2HB ALA 43 1.809 -8.472 -5.831 309 HA PRO 44 HA PRO 44 1.102 -11.282 -2.154 310 HB2 PRO 44 1HB PRO 44 1.416 -13.361 -3.871 311 HB3 PRO 44 2HB PRO 44 -0.165 -12.829 -3.287 312 HG2 PRO 44 1HG PRO 44 1.194 -12.231 -5.887 313 HG3 PRO 44 2HG PRO 44 -0.501 -12.655 -5.581 314 HD2 PRO 44 1HD PRO 44 0.310 -10.106 -5.999 315 HD3 PRO 44 2HD PRO 44 -1.052 -10.512 -4.936 316 H ALA 45 H ALA 45 3.116 -10.637 -1.504 317 HA ALA 45 HA ALA 45 5.385 -10.099 -2.827 318 HB1 ALA 45 3HB ALA 45 6.188 -11.796 -0.691 319 HB2 ALA 45 1HB ALA 45 6.177 -10.033 -0.758 320 HB3 ALA 45 2HB ALA 45 4.753 -10.903 -0.187 321 H SER 46 H SER 46 3.973 -13.271 -2.461 322 HA SER 46 HA SER 46 5.935 -15.043 -2.954 323 HB2 SER 46 1HB SER 46 4.337 -16.447 -4.095 324 HB3 SER 46 2HB SER 46 3.486 -15.564 -2.827 325 HG SER 46 HG SER 46 3.130 -13.993 -4.711 326 H GLY 47 H GLY 47 4.518 -12.864 -5.351 327 HA2 GLY 47 1HA GLY 47 5.761 -11.937 -7.145 328 HA3 GLY 47 2HA GLY 47 6.884 -13.284 -7.029 329 H LEU 48 H LEU 48 4.949 -15.372 -7.025 330 HA LEU 48 HA LEU 48 4.658 -15.801 -9.777 331 HB2 LEU 48 1HB LEU 48 3.401 -17.759 -9.197 332 HB3 LEU 48 2HB LEU 48 4.746 -17.580 -8.072 333 HG LEU 48 HG LEU 48 2.898 -16.419 -6.585 334 HD11 LEU 48 1HD1 LEU 48 1.340 -17.072 -8.726 335 HD12 LEU 48 2HD1 LEU 48 0.751 -16.793 -7.087 336 HD13 LEU 48 3HD1 LEU 48 1.065 -18.437 -7.643 337 HD21 LEU 48 3HD2 LEU 48 2.840 -18.348 -5.337 338 HD22 LEU 48 1HD2 LEU 48 4.256 -18.642 -6.346 339 HD23 LEU 48 2HD2 LEU 48 2.712 -19.392 -6.753 340 H GLY 49 H GLY 49 2.431 -14.515 -7.371 341 HA2 GLY 49 1HA GLY 49 0.147 -14.516 -9.088 342 HA3 GLY 49 2HA GLY 49 0.303 -13.652 -7.566 343 HA PRO 50 HA PRO 50 0.559 -10.811 -11.385 344 HB2 PRO 50 1HB PRO 50 -1.944 -9.765 -11.282 345 HB3 PRO 50 2HB PRO 50 -1.542 -11.204 -12.227 346 HG2 PRO 50 1HG PRO 50 -2.806 -11.008 -9.521 347 HG3 PRO 50 2HG PRO 50 -3.232 -12.063 -10.881 348 HD2 PRO 50 1HD PRO 50 -1.778 -12.928 -8.767 349 HD3 PRO 50 2HD PRO 50 -1.548 -13.563 -10.409 350 H GLU 51 H GLU 51 -0.253 -8.363 -11.281 351 HA GLU 51 HA GLU 51 0.277 -7.404 -8.545 352 HB2 GLU 51 1HB GLU 51 2.094 -7.094 -10.369 353 HB3 GLU 51 2HB GLU 51 1.026 -5.849 -11.003 354 HG2 GLU 51 1HG GLU 51 1.370 -4.450 -9.231 355 HG3 GLU 51 2HG GLU 51 1.739 -5.768 -8.120 356 H LYS 52 H LYS 52 -1.061 -5.899 -7.718 357 HA LYS 52 HA LYS 52 -3.140 -4.808 -9.499 358 HB2 LYS 52 1HB LYS 52 -3.346 -5.713 -6.626 359 HB3 LYS 52 2HB LYS 52 -4.588 -4.759 -7.427 360 HG2 LYS 52 1HG LYS 52 -3.674 -7.308 -8.673 361 HG3 LYS 52 2HG LYS 52 -4.784 -7.354 -7.302 362 HD2 LYS 52 1HD LYS 52 -6.393 -6.022 -8.485 363 HD3 LYS 52 2HD LYS 52 -5.258 -5.744 -9.808 364 HE2 LYS 52 1HE LYS 52 -5.262 -8.176 -10.264 365 HE3 LYS 52 2HE LYS 52 -6.478 -8.384 -9.005 366 HZ1 LYS 52 3HZ LYS 52 -6.770 -6.874 -11.542 367 HZ2 LYS 52 1HZ LYS 52 -7.909 -6.836 -10.290 368 HZ3 LYS 52 2HZ LYS 52 -7.582 -8.289 -11.092 369 H SER 53 H SER 53 -4.184 -2.794 -8.547 370 HA SER 53 HA SER 53 -2.452 -1.181 -6.872 371 HB2 SER 53 1HB SER 53 -1.606 -0.951 -9.257 372 HB3 SER 53 2HB SER 53 -3.143 -0.172 -9.636 373 HG SER 53 HG SER 53 -2.600 1.532 -8.433 374 H VAL 54 H VAL 54 -3.483 0.616 -5.977 375 HA VAL 54 HA VAL 54 -6.270 1.104 -6.716 376 HB VAL 54 HB VAL 54 -7.039 0.996 -4.404 377 HG11 VAL 54 1HG1 VAL 54 -6.610 -1.540 -4.064 378 HG12 VAL 54 2HG1 VAL 54 -7.489 -0.997 -5.495 379 HG13 VAL 54 3HG1 VAL 54 -5.783 -1.432 -5.618 380 HG21 VAL 54 3HG2 VAL 54 -4.216 0.120 -3.819 381 HG22 VAL 54 1HG2 VAL 54 -5.055 1.540 -3.194 382 HG23 VAL 54 2HG2 VAL 54 -5.558 -0.074 -2.691 383 H SER 55 H SER 55 -6.669 3.212 -6.809 384 HA SER 55 HA SER 55 -4.687 5.115 -6.020 385 HB2 SER 55 1HB SER 55 -7.298 5.187 -7.430 386 HB3 SER 55 2HB SER 55 -6.798 6.676 -6.627 387 HG SER 55 HG SER 55 -6.089 6.230 -8.915 388 H VAL 56 H VAL 56 -4.815 6.713 -4.440 389 HA VAL 56 HA VAL 56 -6.988 6.491 -2.480 390 HB VAL 56 HB VAL 56 -4.047 6.463 -1.788 391 HG11 VAL 56 1HG1 VAL 56 -5.662 7.843 -0.324 392 HG12 VAL 56 2HG1 VAL 56 -6.287 6.276 0.193 393 HG13 VAL 56 3HG1 VAL 56 -4.592 6.683 0.462 394 HG21 VAL 56 3HG2 VAL 56 -5.217 4.343 -0.524 395 HG22 VAL 56 1HG2 VAL 56 -6.096 4.392 -2.052 396 HG23 VAL 56 2HG2 VAL 56 -4.338 4.255 -2.050 397 HA PRO 57 HA PRO 57 -6.893 10.893 -2.747 398 HB2 PRO 57 1HB PRO 57 -8.312 11.451 -0.501 399 HB3 PRO 57 2HB PRO 57 -9.057 10.827 -1.977 400 HG2 PRO 57 1HG PRO 57 -8.266 9.363 0.511 401 HG3 PRO 57 2HG PRO 57 -9.741 9.203 -0.460 402 HD2 PRO 57 1HD PRO 57 -7.678 7.460 -0.649 403 HD3 PRO 57 2HD PRO 57 -8.713 7.868 -2.032 404 H GLY 58 H GLY 58 -4.893 11.727 -2.410 405 HA2 GLY 58 1HA GLY 58 -3.048 11.408 -0.514 406 HA3 GLY 58 2HA GLY 58 -3.386 13.002 -1.172 407 H ALA 59 H ALA 59 -6.004 13.274 -0.047 408 HA ALA 59 HA ALA 59 -5.606 14.644 2.235 409 HB1 ALA 59 3HB ALA 59 -7.837 13.723 0.871 410 HB2 ALA 59 1HB ALA 59 -8.045 13.112 2.513 411 HB3 ALA 59 2HB ALA 59 -7.822 14.840 2.236 412 H ARG 60 H ARG 60 -6.360 11.165 2.127 413 HA ARG 60 HA ARG 60 -5.632 10.951 4.957 414 HB2 ARG 60 1HB ARG 60 -6.675 8.755 4.894 415 HB3 ARG 60 2HB ARG 60 -7.777 9.965 4.250 416 HG2 ARG 60 1HG ARG 60 -6.691 9.201 1.960 417 HG3 ARG 60 2HG ARG 60 -6.404 7.724 2.881 418 HD2 ARG 60 1HD ARG 60 -8.527 7.626 1.674 419 HD3 ARG 60 2HD ARG 60 -8.776 7.586 3.419 420 HE ARG 60 HE ARG 60 -8.954 10.211 2.230 421 HH11 ARG 60 1HH1 ARG 60 -10.667 7.325 3.155 422 HH12 ARG 60 2HH1 ARG 60 -12.208 8.111 3.246 423 HH21 ARG 60 1HH2 ARG 60 -10.977 11.258 2.347 424 HH22 ARG 60 2HH2 ARG 60 -12.383 10.349 2.785 425 H SER 61 H SER 61 -4.240 9.199 5.653 426 HA SER 61 HA SER 61 -2.232 8.491 3.614 427 HB2 SER 61 1HB SER 61 -1.632 10.122 5.572 428 HB3 SER 61 2HB SER 61 -1.565 8.647 6.536 429 HG SER 61 HG SER 61 0.134 9.552 4.550 430 H HIS 62 H HIS 62 -4.647 7.014 4.462 431 HA HIS 62 HA HIS 62 -3.338 4.469 4.958 432 HB2 HIS 62 1HB HIS 62 -4.724 3.850 6.830 433 HB3 HIS 62 2HB HIS 62 -3.921 5.370 7.214 434 HD1 HIS 62 1HD HIS 62 -5.401 7.145 8.094 435 HD2 HIS 62 2HD HIS 62 -7.508 4.330 5.880 436 HE1 HIS 62 1HE HIS 62 -7.821 7.799 8.302 437 HE2 HIS 62 2HE HIS 62 -9.083 6.033 7.025 438 H VAL 63 H VAL 63 -4.534 2.679 4.261 439 HA VAL 63 HA VAL 63 -7.210 3.052 3.220 440 HB VAL 63 HB VAL 63 -5.466 3.767 1.425 441 HG11 VAL 63 1HG1 VAL 63 -4.491 2.036 0.125 442 HG12 VAL 63 2HG1 VAL 63 -4.082 1.699 1.808 443 HG13 VAL 63 3HG1 VAL 63 -5.365 0.787 1.011 444 HG21 VAL 63 3HG2 VAL 63 -7.100 1.872 0.022 445 HG22 VAL 63 1HG2 VAL 63 -8.025 2.614 1.328 446 HG23 VAL 63 2HG2 VAL 63 -7.252 3.627 0.109 447 H THR 64 H THR 64 -8.100 1.002 2.337 448 HA THR 64 HA THR 64 -6.825 -1.336 3.602 449 HB THR 64 HB THR 64 -9.801 -1.034 3.227 450 HG1 THR 64 1HG THR 64 -9.426 0.528 4.691 451 HG21 THR 64 3HG2 THR 64 -8.503 -3.280 3.662 452 HG22 THR 64 1HG2 THR 64 -10.013 -2.937 4.504 453 HG23 THR 64 2HG2 THR 64 -8.471 -2.689 5.324 454 H LEU 65 H LEU 65 -6.609 -3.156 2.411 455 HA LEU 65 HA LEU 65 -7.547 -3.034 -0.373 456 HB2 LEU 65 1HB LEU 65 -5.394 -4.810 0.752 457 HB3 LEU 65 2HB LEU 65 -5.756 -4.505 -0.945 458 HG LEU 65 HG LEU 65 -4.855 -2.274 0.840 459 HD11 LEU 65 1HD1 LEU 65 -3.053 -3.624 1.249 460 HD12 LEU 65 2HD1 LEU 65 -2.551 -2.874 -0.266 461 HD13 LEU 65 3HD1 LEU 65 -3.225 -4.504 -0.270 462 HD21 LEU 65 3HD2 LEU 65 -3.774 -2.060 -1.707 463 HD22 LEU 65 1HD2 LEU 65 -5.165 -1.181 -1.073 464 HD23 LEU 65 2HD2 LEU 65 -5.404 -2.680 -1.972 465 HA PRO 66 HA PRO 66 -10.319 -6.242 1.277 466 HB2 PRO 66 1HB PRO 66 -12.185 -5.915 -0.668 467 HB3 PRO 66 2HB PRO 66 -12.096 -4.879 0.762 468 HG2 PRO 66 1HG PRO 66 -11.076 -4.376 -2.008 469 HG3 PRO 66 2HG PRO 66 -11.931 -3.274 -0.912 470 HD2 PRO 66 1HD PRO 66 -9.245 -3.200 -1.251 471 HD3 PRO 66 2HD PRO 66 -10.025 -2.791 0.291 472 H ASP 67 H ASP 67 -11.468 -8.070 0.017 473 HA ASP 67 HA ASP 67 -11.247 -9.981 -1.198 474 HB2 ASP 67 1HB ASP 67 -11.598 -8.224 -3.025 475 HB3 ASP 67 2HB ASP 67 -9.860 -8.317 -3.295 476 H LEU 68 H LEU 68 -9.422 -9.953 0.692 477 HA LEU 68 HA LEU 68 -6.857 -10.608 -0.592 478 HB2 LEU 68 1HB LEU 68 -7.582 -9.622 2.135 479 HB3 LEU 68 2HB LEU 68 -6.079 -10.508 1.888 480 HG LEU 68 HG LEU 68 -6.851 -7.908 0.564 481 HD11 LEU 68 1HD1 LEU 68 -5.463 -6.819 2.028 482 HD12 LEU 68 2HD1 LEU 68 -4.526 -8.268 2.393 483 HD13 LEU 68 3HD1 LEU 68 -6.138 -8.064 3.078 484 HD21 LEU 68 3HD2 LEU 68 -5.522 -9.118 -0.979 485 HD22 LEU 68 1HD2 LEU 68 -4.430 -9.673 0.290 486 HD23 LEU 68 2HD2 LEU 68 -4.443 -7.973 -0.180 487 H GLN 69 H GLN 69 -5.605 -12.337 0.691 488 HA GLN 69 HA GLN 69 -7.422 -14.609 1.081 489 HB2 GLN 69 1HB GLN 69 -4.555 -14.383 0.225 490 HB3 GLN 69 2HB GLN 69 -5.170 -15.897 0.876 491 HG2 GLN 69 1HG GLN 69 -6.419 -14.468 -1.454 492 HG3 GLN 69 2HG GLN 69 -5.178 -15.708 -1.620 493 HE21 GLN 69 1HE2 GLN 69 -8.450 -15.110 -1.467 494 HE22 GLN 69 2HE2 GLN 69 -9.006 -16.723 -1.192 495 H ALA 70 H ALA 70 -6.124 -16.353 2.546 496 HA ALA 70 HA ALA 70 -5.624 -14.955 5.090 497 HB1 ALA 70 3HB ALA 70 -7.336 -17.152 4.412 498 HB2 ALA 70 1HB ALA 70 -6.153 -17.661 5.617 499 HB3 ALA 70 2HB ALA 70 -7.196 -16.274 5.935 500 H ALA 71 H ALA 71 -3.727 -15.221 6.098 501 HA ALA 71 HA ALA 71 -1.625 -15.946 6.592 502 HB1 ALA 71 3HB ALA 71 -1.977 -18.087 7.145 503 HB2 ALA 71 1HB ALA 71 -3.020 -18.377 5.752 504 HB3 ALA 71 2HB ALA 71 -1.266 -18.449 5.573 505 H THR 72 H THR 72 -1.888 -14.346 4.378 506 HA THR 72 HA THR 72 0.443 -15.133 2.852 507 HB THR 72 HB THR 72 -2.174 -14.583 1.438 508 HG1 THR 72 1HG THR 72 -1.988 -16.726 2.269 509 HG21 THR 72 3HG2 THR 72 -1.041 -14.625 -0.581 510 HG22 THR 72 1HG2 THR 72 0.351 -15.468 0.098 511 HG23 THR 72 2HG2 THR 72 0.096 -13.759 0.452 512 H LYS 73 H LYS 73 1.629 -13.371 3.275 513 HA LYS 73 HA LYS 73 0.692 -10.794 3.760 514 HB2 LYS 73 1HB LYS 73 2.905 -10.141 3.828 515 HB3 LYS 73 2HB LYS 73 3.056 -11.873 4.091 516 HG2 LYS 73 1HG LYS 73 3.356 -10.546 1.407 517 HG3 LYS 73 2HG LYS 73 4.701 -10.926 2.486 518 HD2 LYS 73 1HD LYS 73 2.795 -13.104 1.799 519 HD3 LYS 73 2HD LYS 73 3.943 -12.583 0.564 520 HE2 LYS 73 1HE LYS 73 5.152 -14.229 1.610 521 HE3 LYS 73 2HE LYS 73 5.675 -12.810 2.516 522 HZ1 LYS 73 3HZ LYS 73 4.632 -15.089 3.577 523 HZ2 LYS 73 1HZ LYS 73 3.325 -14.016 3.619 524 HZ3 LYS 73 2HZ LYS 73 4.781 -13.605 4.375 525 H TYR 74 H TYR 74 1.598 -8.885 2.305 526 HA TYR 74 HA TYR 74 1.212 -9.365 -0.531 527 HB2 TYR 74 1HB TYR 74 -0.733 -7.838 1.168 528 HB3 TYR 74 2HB TYR 74 -0.491 -7.388 -0.517 529 HD1 TYR 74 2HD TYR 74 -1.414 -10.251 1.668 530 HD2 TYR 74 1HD TYR 74 -1.601 -8.543 -2.224 531 HE1 TYR 74 2HE TYR 74 -2.992 -12.008 0.979 532 HE2 TYR 74 1HE TYR 74 -3.180 -10.294 -2.923 533 HH TYR 74 HH TYR 74 -4.498 -11.975 -2.217 534 H ARG 75 H ARG 75 3.002 -8.437 -1.286 535 HA ARG 75 HA ARG 75 4.450 -6.387 -0.071 536 HB2 ARG 75 1HB ARG 75 5.008 -8.039 -2.068 537 HB3 ARG 75 2HB ARG 75 4.515 -6.660 -3.041 538 HG2 ARG 75 1HG ARG 75 6.177 -5.305 -1.668 539 HG3 ARG 75 2HG ARG 75 6.798 -6.860 -1.109 540 HD2 ARG 75 1HD ARG 75 6.456 -6.351 -4.034 541 HD3 ARG 75 2HD ARG 75 7.859 -5.699 -3.188 542 HE ARG 75 HE ARG 75 7.501 -8.368 -4.012 543 HH11 ARG 75 1HH1 ARG 75 8.681 -6.504 -1.320 544 HH12 ARG 75 2HH1 ARG 75 9.806 -7.717 -0.805 545 HH21 ARG 75 1HH2 ARG 75 8.978 -9.973 -3.344 546 HH22 ARG 75 2HH2 ARG 75 9.974 -9.690 -1.958 547 H VAL 76 H VAL 76 3.183 -4.648 0.514 548 HA VAL 76 HA VAL 76 1.547 -3.282 -1.437 549 HB VAL 76 HB VAL 76 2.206 -2.698 1.445 550 HG11 VAL 76 1HG1 VAL 76 0.061 -1.081 0.633 551 HG12 VAL 76 2HG1 VAL 76 1.674 -0.565 1.129 552 HG13 VAL 76 3HG1 VAL 76 1.326 -0.861 -0.575 553 HG21 VAL 76 3HG2 VAL 76 -0.443 -2.921 1.375 554 HG22 VAL 76 1HG2 VAL 76 -0.061 -3.910 -0.035 555 HG23 VAL 76 2HG2 VAL 76 0.614 -4.324 1.541 556 H LEU 77 H LEU 77 2.590 -2.170 -2.970 557 HA LEU 77 HA LEU 77 4.950 -0.591 -2.230 558 HB2 LEU 77 1HB LEU 77 3.968 -1.827 -4.742 559 HB3 LEU 77 2HB LEU 77 4.898 -0.336 -4.877 560 HG LEU 77 HG LEU 77 6.568 -1.703 -3.317 561 HD11 LEU 77 1HD1 LEU 77 6.323 -4.054 -4.746 562 HD12 LEU 77 2HD1 LEU 77 4.668 -3.676 -4.270 563 HD13 LEU 77 3HD1 LEU 77 5.928 -3.817 -3.044 564 HD21 LEU 77 3HD2 LEU 77 7.910 -1.701 -5.124 565 HD22 LEU 77 1HD2 LEU 77 6.579 -0.816 -5.869 566 HD23 LEU 77 2HD2 LEU 77 6.737 -2.554 -6.129 567 H VAL 78 H VAL 78 4.421 1.395 -1.580 568 HA VAL 78 HA VAL 78 2.263 2.821 -2.976 569 HB VAL 78 HB VAL 78 3.574 3.736 -0.429 570 HG11 VAL 78 1HG1 VAL 78 0.817 4.212 -1.554 571 HG12 VAL 78 2HG1 VAL 78 1.510 4.952 -0.110 572 HG13 VAL 78 3HG1 VAL 78 2.175 5.327 -1.700 573 HG21 VAL 78 3HG2 VAL 78 1.945 1.394 -0.801 574 HG22 VAL 78 1HG2 VAL 78 2.724 1.996 0.663 575 HG23 VAL 78 2HG2 VAL 78 1.115 2.567 0.221 576 H SER 79 H SER 79 2.567 4.981 -3.663 577 HA SER 79 HA SER 79 5.258 6.076 -3.660 578 HB2 SER 79 1HB SER 79 3.817 5.507 -6.261 579 HB3 SER 79 2HB SER 79 5.383 6.298 -6.086 580 HG SER 79 HG SER 79 4.931 3.734 -6.341 581 H ALA 80 H ALA 80 5.166 8.203 -3.374 582 HA ALA 80 HA ALA 80 2.634 9.558 -3.384 583 HB1 ALA 80 3HB ALA 80 5.061 11.192 -3.130 584 HB2 ALA 80 1HB ALA 80 3.639 11.095 -2.090 585 HB3 ALA 80 2HB ALA 80 4.915 9.884 -1.957 586 H ILE 81 H ILE 81 1.750 10.669 -4.997 587 HA ILE 81 HA ILE 81 3.348 11.166 -7.399 588 HB ILE 81 HB ILE 81 0.366 11.159 -6.946 589 HG12 ILE 81 1HG1 ILE 81 0.357 9.222 -8.362 590 HG13 ILE 81 2HG1 ILE 81 2.052 9.450 -8.781 591 HG21 ILE 81 1HG2 ILE 81 0.327 12.695 -8.589 592 HG22 ILE 81 2HG2 ILE 81 1.973 12.335 -9.106 593 HG23 ILE 81 3HG2 ILE 81 0.640 11.308 -9.632 594 HD11 ILE 81 3HD1 ILE 81 1.272 8.992 -5.940 595 HD12 ILE 81 1HD1 ILE 81 1.374 7.637 -7.063 596 HD13 ILE 81 2HD1 ILE 81 2.793 8.640 -6.759 597 H TYR 82 H TYR 82 3.759 13.164 -8.181 598 HA TYR 82 HA TYR 82 2.539 15.462 -6.808 599 HB2 TYR 82 1HB TYR 82 5.456 15.246 -7.579 600 HB3 TYR 82 2HB TYR 82 4.684 16.616 -6.788 601 HD1 TYR 82 1HD TYR 82 3.794 16.326 -4.450 602 HD2 TYR 82 2HD TYR 82 6.259 13.411 -6.328 603 HE1 TYR 82 1HE TYR 82 4.301 15.348 -2.252 604 HE2 TYR 82 2HE TYR 82 6.773 12.424 -4.134 605 HH TYR 82 HH TYR 82 6.511 12.585 -1.936 606 H ALA 83 H ALA 83 2.985 17.542 -8.061 607 HA ALA 83 HA ALA 83 1.831 17.394 -10.582 608 HB1 ALA 83 3HB ALA 83 1.664 19.561 -10.133 609 HB2 ALA 83 1HB ALA 83 2.909 19.444 -8.889 610 HB3 ALA 83 2HB ALA 83 3.363 19.741 -10.567 611 H ALA 84 H ALA 84 5.255 17.632 -9.692 612 HA ALA 84 HA ALA 84 6.155 17.665 -12.417 613 HB1 ALA 84 3HB ALA 84 8.319 17.815 -11.565 614 HB2 ALA 84 1HB ALA 84 7.336 18.641 -10.356 615 HB3 ALA 84 2HB ALA 84 7.889 16.991 -10.067 616 H GLY 85 H GLY 85 5.922 15.237 -9.852 617 HA2 GLY 85 1HA GLY 85 5.524 13.076 -11.561 618 HA3 GLY 85 2HA GLY 85 7.252 13.167 -11.255 619 H ARG 86 H ARG 86 6.266 10.911 -10.462 620 HA ARG 86 HA ARG 86 5.468 11.146 -7.652 621 HB2 ARG 86 1HB ARG 86 5.080 8.654 -7.870 622 HB3 ARG 86 2HB ARG 86 4.034 9.680 -8.842 623 HG2 ARG 86 1HG ARG 86 5.267 9.184 -10.823 624 HG3 ARG 86 2HG ARG 86 6.512 8.342 -9.898 625 HD2 ARG 86 1HD ARG 86 4.530 6.849 -9.112 626 HD3 ARG 86 2HD ARG 86 3.721 7.486 -10.542 627 HE ARG 86 HE ARG 86 5.050 6.152 -11.836 628 HH11 ARG 86 1HH1 ARG 86 6.471 6.431 -8.670 629 HH12 ARG 86 2HH1 ARG 86 7.706 5.255 -8.978 630 HH21 ARG 86 1HH2 ARG 86 6.671 4.602 -12.253 631 HH22 ARG 86 2HH2 ARG 86 7.819 4.216 -11.016 632 H SER 87 H SER 87 6.595 10.097 -5.996 633 HA SER 87 HA SER 87 9.439 9.908 -6.441 634 HB2 SER 87 1HB SER 87 9.616 9.680 -4.035 635 HB3 SER 87 2HB SER 87 8.463 10.964 -4.399 636 HG SER 87 HG SER 87 7.723 8.283 -3.845 637 H GLU 88 H GLU 88 10.572 8.027 -5.188 638 HA GLU 88 HA GLU 88 10.199 5.681 -6.605 639 HB2 GLU 88 1HB GLU 88 11.785 4.681 -5.173 640 HB3 GLU 88 2HB GLU 88 12.213 6.385 -5.217 641 HG2 GLU 88 1HG GLU 88 11.160 6.741 -3.070 642 HG3 GLU 88 2HG GLU 88 10.624 5.062 -3.031 643 H ALA 89 H ALA 89 9.719 3.493 -5.598 644 HA ALA 89 HA ALA 89 7.168 3.693 -4.154 645 HB1 ALA 89 3HB ALA 89 6.729 1.422 -5.021 646 HB2 ALA 89 1HB ALA 89 6.989 2.608 -6.300 647 HB3 ALA 89 2HB ALA 89 8.273 1.476 -5.873 648 H VAL 90 H VAL 90 6.864 2.736 -2.215 649 HA VAL 90 HA VAL 90 9.193 1.401 -1.012 650 HB VAL 90 HB VAL 90 7.954 1.898 1.171 651 HG11 VAL 90 1HG1 VAL 90 8.987 4.004 1.379 652 HG12 VAL 90 2HG1 VAL 90 9.955 3.125 0.193 653 HG13 VAL 90 3HG1 VAL 90 8.805 4.353 -0.340 654 HG21 VAL 90 3HG2 VAL 90 6.560 4.022 -0.419 655 HG22 VAL 90 1HG2 VAL 90 5.816 2.444 -0.162 656 HG23 VAL 90 2HG2 VAL 90 6.228 3.461 1.220 657 H SER 91 H SER 91 9.074 -0.731 -0.863 658 HA SER 91 HA SER 91 6.506 -2.076 -1.025 659 HB2 SER 91 1HB SER 91 7.671 -3.973 -1.636 660 HB3 SER 91 2HB SER 91 8.806 -2.730 -2.165 661 HG SER 91 HG SER 91 9.576 -3.056 0.191 662 H ALA 92 H ALA 92 5.848 -3.709 0.487 663 HA ALA 92 HA ALA 92 7.143 -3.969 3.027 664 HB1 ALA 92 3HB ALA 92 6.234 -1.879 3.580 665 HB2 ALA 92 1HB ALA 92 4.698 -2.242 2.792 666 HB3 ALA 92 2HB ALA 92 5.131 -3.053 4.297 667 H THR 93 H THR 93 6.740 -5.964 3.705 668 HA THR 93 HA THR 93 4.453 -7.404 2.587 669 HB THR 93 HB THR 93 5.600 -9.421 3.617 670 HG1 THR 93 1HG THR 93 7.542 -9.165 4.529 671 HG21 THR 93 3HG2 THR 93 6.135 -7.998 1.244 672 HG22 THR 93 1HG2 THR 93 6.396 -9.713 1.557 673 HG23 THR 93 2HG2 THR 93 7.691 -8.554 1.859 674 H GLY 94 H GLY 94 2.687 -7.817 3.744 675 HA2 GLY 94 1HA GLY 94 2.907 -7.811 6.687 676 HA3 GLY 94 2HA GLY 94 1.630 -6.915 5.879 677 H GLN 95 H GLN 95 2.812 -10.069 6.766 678 HA GLN 95 HA GLN 95 1.132 -11.776 5.442 679 HB2 GLN 95 1HB GLN 95 2.864 -12.585 6.931 680 HB3 GLN 95 2HB GLN 95 2.026 -11.915 8.325 681 HG2 GLN 95 1HG GLN 95 0.108 -13.458 7.741 682 HG3 GLN 95 2HG GLN 95 1.214 -14.244 6.616 683 HE21 GLN 95 1HE2 GLN 95 0.215 -15.820 8.461 684 HE22 GLN 95 2HE2 GLN 95 1.359 -16.175 9.705 685 H THR 96 H THR 96 -0.990 -12.120 5.362 686 HA THR 96 HA THR 96 -2.795 -10.453 6.802 687 HB THR 96 HB THR 96 -4.544 -12.044 5.764 688 HG1 THR 96 1HG THR 96 -3.763 -13.393 4.155 689 HG21 THR 96 3HG2 THR 96 -2.710 -10.158 4.389 690 HG22 THR 96 1HG2 THR 96 -4.455 -10.069 4.626 691 HG23 THR 96 2HG2 THR 96 -3.786 -11.123 3.380 692 H ALA 97 H ALA 97 -4.885 -11.767 7.659 693 HA ALA 97 HA ALA 97 -3.909 -13.168 10.001 694 HB1 ALA 97 3HB ALA 97 -6.783 -12.586 9.343 695 HB2 ALA 97 1HB ALA 97 -6.053 -12.856 10.926 696 HB3 ALA 97 2HB ALA 97 -5.702 -11.375 10.033 697 H CYS 98 H CYS 98 -4.949 -15.172 10.740 698 HA CYS 98 HA CYS 98 -5.555 -16.946 8.469 699 HB2 CYS 98 1HB CYS 98 -4.660 -18.784 9.837 700 HB3 CYS 98 2HB CYS 98 -3.459 -17.521 9.589 701 HG CYS 98 HG CYS 98 -5.033 -16.812 12.349 702 HA PRO 99 HA PRO 99 -9.540 -17.721 10.149 703 HB2 PRO 99 1HB PRO 99 -9.983 -20.217 9.178 704 HB3 PRO 99 2HB PRO 99 -10.020 -18.771 8.163 705 HG2 PRO 99 1HG PRO 99 -7.820 -20.767 8.536 706 HG3 PRO 99 2HG PRO 99 -8.404 -20.012 7.042 707 HD2 PRO 99 1HD PRO 99 -6.171 -19.173 8.323 708 HD3 PRO 99 2HD PRO 99 -7.223 -18.068 7.414 709 H SER 100 H SER 100 -6.879 -19.865 10.811 710 HA SER 100 HA SER 100 -8.007 -21.721 12.514 711 HB2 SER 100 1HB SER 100 -5.620 -21.680 11.743 712 HB3 SER 100 2HB SER 100 -5.310 -20.411 12.927 713 HG SER 100 HG SER 100 -4.829 -22.586 13.651 714 H GLY 101 H GLY 101 -8.086 -21.856 14.836 715 HA2 GLY 101 1HA GLY 101 -8.883 -19.297 16.021 716 HA3 GLY 101 2HA GLY 101 -9.287 -20.893 16.638 717 HA PRO 102 HA PRO 102 -5.980 -19.220 19.368 718 HB2 PRO 102 1HB PRO 102 -7.065 -20.212 21.650 719 HB3 PRO 102 2HB PRO 102 -7.544 -18.659 20.954 720 HG2 PRO 102 1HG PRO 102 -8.895 -21.323 20.754 721 HG3 PRO 102 2HG PRO 102 -9.610 -19.724 21.031 722 HD2 PRO 102 1HD PRO 102 -9.628 -20.926 18.605 723 HD3 PRO 102 2HD PRO 102 -9.535 -19.164 18.797 724 H SER 103 H SER 103 -4.552 -20.405 20.875 725 HA SER 103 HA SER 103 -3.350 -22.589 19.859 726 HB2 SER 103 1HB SER 103 -2.653 -23.150 22.254 727 HB3 SER 103 2HB SER 103 -2.301 -21.515 21.695 728 HG SER 103 HG SER 103 -4.441 -21.013 22.704 729 H SER 104 H SER 104 -6.098 -22.646 22.091 730 HA SER 104 HA SER 104 -6.218 -25.486 22.269 731 HB2 SER 104 1HB SER 104 -8.114 -23.264 23.000 732 HB3 SER 104 2HB SER 104 -8.597 -24.955 23.133 733 HG SER 104 HG SER 104 -6.153 -24.221 24.255 734 H GLY 105 H GLY 105 -7.841 -23.066 20.272 735 HA2 GLY 105 1HA GLY 105 -8.698 -23.384 18.126 736 HA3 GLY 105 2HA GLY 105 -8.480 -25.117 18.322 Start of MODEL 13 1 H1 GLY 1 H GLY 1 14.325 30.109 -9.619 2 HA2 GLY 1 1HA GLY 1 14.351 28.844 -12.259 3 HA3 GLY 1 2HA GLY 1 15.479 30.163 -11.982 4 H SER 2 H SER 2 16.676 29.850 -9.746 5 HA SER 2 HA SER 2 18.336 27.597 -10.061 6 HB2 SER 2 1HB SER 2 19.306 28.295 -7.864 7 HB3 SER 2 2HB SER 2 19.198 29.611 -9.032 8 HG SER 2 HG SER 2 17.953 29.308 -6.613 9 H SER 3 H SER 3 15.742 28.311 -7.753 10 HA SER 3 HA SER 3 16.019 25.891 -6.290 11 HB2 SER 3 1HB SER 3 14.027 26.527 -5.151 12 HB3 SER 3 2HB SER 3 14.880 28.030 -5.505 13 HG SER 3 HG SER 3 12.656 28.161 -6.027 14 H GLY 4 H GLY 4 14.094 24.342 -6.100 15 HA2 GLY 4 1HA GLY 4 12.356 23.115 -7.151 16 HA3 GLY 4 2HA GLY 4 12.803 23.847 -8.685 17 H SER 5 H SER 5 14.483 21.917 -6.198 18 HA SER 5 HA SER 5 15.512 20.219 -8.375 19 HB2 SER 5 1HB SER 5 17.359 19.654 -6.755 20 HB3 SER 5 2HB SER 5 17.335 21.337 -7.280 21 HG SER 5 HG SER 5 16.228 21.820 -5.310 22 H SER 6 H SER 6 14.329 20.186 -5.033 23 HA SER 6 HA SER 6 13.787 17.307 -5.313 24 HB2 SER 6 1HB SER 6 14.505 19.035 -2.992 25 HB3 SER 6 2HB SER 6 13.446 17.657 -2.693 26 HG SER 6 HG SER 6 15.175 16.485 -2.740 27 H GLY 7 H GLY 7 11.835 16.616 -3.901 28 HA2 GLY 7 1HA GLY 7 9.715 18.193 -3.208 29 HA3 GLY 7 2HA GLY 7 9.544 17.999 -4.947 30 H ARG 8 H ARG 8 10.471 15.355 -5.187 31 HA ARG 8 HA ARG 8 8.098 13.945 -4.452 32 HB2 ARG 8 1HB ARG 8 10.564 13.351 -5.990 33 HB3 ARG 8 2HB ARG 8 9.715 11.973 -5.303 34 HG2 ARG 8 1HG ARG 8 7.861 12.281 -6.622 35 HG3 ARG 8 2HG ARG 8 8.180 14.001 -6.854 36 HD2 ARG 8 1HD ARG 8 8.567 12.553 -8.871 37 HD3 ARG 8 2HD ARG 8 9.934 13.556 -8.389 38 HE ARG 8 HE ARG 8 9.735 10.652 -8.169 39 HH11 ARG 8 1HH1 ARG 8 11.545 13.573 -7.611 40 HH12 ARG 8 2HH1 ARG 8 13.049 12.748 -7.366 41 HH21 ARG 8 1HH2 ARG 8 11.709 9.555 -7.848 42 HH22 ARG 8 2HH2 ARG 8 13.141 10.463 -7.502 43 H SER 9 H SER 9 7.696 12.872 -2.639 44 HA SER 9 HA SER 9 9.924 11.755 -1.099 45 HB2 SER 9 1HB SER 9 9.450 13.919 -0.065 46 HB3 SER 9 2HB SER 9 7.742 13.500 0.069 47 HG SER 9 HG SER 9 9.029 11.540 1.209 48 HA PRO 10 HA PRO 10 6.968 8.396 -1.356 49 HB2 PRO 10 1HB PRO 10 8.649 6.521 -0.341 50 HB3 PRO 10 2HB PRO 10 8.729 7.078 -2.017 51 HG2 PRO 10 1HG PRO 10 10.394 7.896 0.332 52 HG3 PRO 10 2HG PRO 10 10.901 7.545 -1.330 53 HD2 PRO 10 1HD PRO 10 10.585 10.071 -0.406 54 HD3 PRO 10 2HD PRO 10 10.271 9.626 -2.096 55 HA PRO 11 HA PRO 11 5.368 8.265 2.748 56 HB2 PRO 11 1HB PRO 11 4.020 5.910 2.651 57 HB3 PRO 11 2HB PRO 11 3.462 7.370 1.828 58 HG2 PRO 11 1HG PRO 11 4.944 5.019 0.716 59 HG3 PRO 11 2HG PRO 11 3.573 5.906 0.025 60 HD2 PRO 11 1HD PRO 11 6.127 6.315 -0.777 61 HD3 PRO 11 2HD PRO 11 4.911 7.609 -0.764 62 H SER 12 H SER 12 6.496 7.859 4.533 63 HA SER 12 HA SER 12 8.009 5.344 4.717 64 HB2 SER 12 1HB SER 12 8.394 7.855 6.360 65 HB3 SER 12 2HB SER 12 9.461 6.452 6.298 66 HG SER 12 HG SER 12 9.616 8.582 4.816 67 H ASN 13 H ASN 13 8.375 4.796 7.199 68 HA ASN 13 HA ASN 13 7.473 3.935 9.100 69 HB2 ASN 13 1HB ASN 13 5.623 6.286 8.693 70 HB3 ASN 13 2HB ASN 13 5.500 5.214 10.085 71 HD21 ASN 13 1HD2 ASN 13 7.183 7.808 8.631 72 HD22 ASN 13 2HD2 ASN 13 8.317 8.085 9.905 73 H LEU 14 H LEU 14 6.719 2.823 6.583 74 HA LEU 14 HA LEU 14 3.980 2.318 6.325 75 HB2 LEU 14 1HB LEU 14 6.474 1.014 5.391 76 HB3 LEU 14 2HB LEU 14 4.987 0.072 5.307 77 HG LEU 14 HG LEU 14 5.416 2.755 3.994 78 HD11 LEU 14 1HD1 LEU 14 6.698 1.458 2.644 79 HD12 LEU 14 2HD1 LEU 14 5.122 1.083 1.949 80 HD13 LEU 14 3HD1 LEU 14 5.867 -0.031 3.094 81 HD21 LEU 14 3HD2 LEU 14 3.232 2.788 3.600 82 HD22 LEU 14 1HD2 LEU 14 3.056 1.390 4.661 83 HD23 LEU 14 2HD2 LEU 14 3.287 1.158 2.928 84 H ALA 15 H ALA 15 2.596 1.001 7.343 85 HA ALA 15 HA ALA 15 3.629 -1.143 9.045 86 HB1 ALA 15 3HB ALA 15 1.738 -0.290 10.705 87 HB2 ALA 15 1HB ALA 15 3.398 0.301 10.785 88 HB3 ALA 15 2HB ALA 15 2.159 1.258 9.973 89 H LEU 16 H LEU 16 2.695 -2.891 8.203 90 HA LEU 16 HA LEU 16 0.013 -2.737 7.083 91 HB2 LEU 16 1HB LEU 16 2.278 -4.641 6.945 92 HB3 LEU 16 2HB LEU 16 0.657 -5.308 6.762 93 HG LEU 16 HG LEU 16 0.272 -3.782 4.864 94 HD11 LEU 16 1HD1 LEU 16 3.134 -3.004 5.377 95 HD12 LEU 16 2HD1 LEU 16 1.714 -1.959 5.394 96 HD13 LEU 16 3HD1 LEU 16 2.273 -2.661 3.876 97 HD21 LEU 16 3HD2 LEU 16 2.717 -5.536 4.655 98 HD22 LEU 16 1HD2 LEU 16 1.793 -4.913 3.288 99 HD23 LEU 16 2HD2 LEU 16 1.039 -6.032 4.424 100 H ALA 17 H ALA 17 -1.718 -3.150 8.270 101 HA ALA 17 HA ALA 17 -1.432 -4.904 10.621 102 HB1 ALA 17 3HB ALA 17 -2.229 -3.159 11.754 103 HB2 ALA 17 1HB ALA 17 -2.680 -2.308 10.277 104 HB3 ALA 17 2HB ALA 17 -3.780 -3.493 10.983 105 H SER 18 H SER 18 -2.466 -6.782 10.549 106 HA SER 18 HA SER 18 -4.522 -7.178 8.496 107 HB2 SER 18 1HB SER 18 -2.512 -8.701 8.584 108 HB3 SER 18 2HB SER 18 -3.115 -9.299 10.130 109 HG SER 18 HG SER 18 -5.144 -9.676 8.827 110 H GLU 19 H GLU 19 -6.547 -6.940 9.156 111 HA GLU 19 HA GLU 19 -7.232 -7.659 11.924 112 HB2 GLU 19 1HB GLU 19 -8.976 -6.047 10.078 113 HB3 GLU 19 2HB GLU 19 -9.009 -6.116 11.834 114 HG2 GLU 19 1HG GLU 19 -6.568 -5.086 10.483 115 HG3 GLU 19 2HG GLU 19 -7.995 -4.057 10.580 116 H THR 20 H THR 20 -7.971 -8.266 8.569 117 HA THR 20 HA THR 20 -9.535 -10.600 9.363 118 HB THR 20 HB THR 20 -11.421 -9.376 8.971 119 HG1 THR 20 1HG THR 20 -12.063 -10.495 7.305 120 HG21 THR 20 3HG2 THR 20 -9.967 -7.774 6.864 121 HG22 THR 20 1HG2 THR 20 -10.199 -7.274 8.539 122 HG23 THR 20 2HG2 THR 20 -11.592 -7.469 7.475 123 HA PRO 21 HA PRO 21 -7.281 -12.522 6.112 124 HB2 PRO 21 1HB PRO 21 -8.947 -14.592 5.555 125 HB3 PRO 21 2HB PRO 21 -7.956 -14.523 7.017 126 HG2 PRO 21 1HG PRO 21 -10.853 -13.857 6.659 127 HG3 PRO 21 2HG PRO 21 -10.065 -14.758 7.968 128 HD2 PRO 21 1HD PRO 21 -10.780 -12.158 8.214 129 HD3 PRO 21 2HD PRO 21 -9.361 -12.839 9.034 130 H ASP 22 H ASP 22 -10.010 -10.757 5.617 131 HA ASP 22 HA ASP 22 -10.092 -11.372 2.737 132 HB2 ASP 22 1HB ASP 22 -12.247 -9.770 4.039 133 HB3 ASP 22 2HB ASP 22 -12.342 -10.880 2.675 134 H SER 23 H SER 23 -9.033 -9.147 4.998 135 HA SER 23 HA SER 23 -8.407 -7.225 2.928 136 HB2 SER 23 1HB SER 23 -9.968 -6.316 5.355 137 HB3 SER 23 2HB SER 23 -9.427 -5.318 4.006 138 HG SER 23 HG SER 23 -11.355 -7.398 3.941 139 H LEU 24 H LEU 24 -6.787 -5.711 3.560 140 HA LEU 24 HA LEU 24 -5.483 -6.270 6.132 141 HB2 LEU 24 1HB LEU 24 -4.386 -7.521 4.278 142 HB3 LEU 24 2HB LEU 24 -4.028 -5.976 3.509 143 HG LEU 24 HG LEU 24 -2.868 -5.528 5.868 144 HD11 LEU 24 1HD1 LEU 24 -3.310 -8.422 5.752 145 HD12 LEU 24 2HD1 LEU 24 -2.951 -7.380 7.127 146 HD13 LEU 24 3HD1 LEU 24 -1.645 -7.945 6.086 147 HD21 LEU 24 3HD2 LEU 24 -1.386 -5.223 4.207 148 HD22 LEU 24 1HD2 LEU 24 -1.969 -6.614 3.292 149 HD23 LEU 24 2HD2 LEU 24 -0.846 -6.848 4.632 150 H GLN 25 H GLN 25 -5.202 -4.464 7.248 151 HA GLN 25 HA GLN 25 -5.602 -1.893 6.047 152 HB2 GLN 25 1HB GLN 25 -6.106 -2.783 8.497 153 HB3 GLN 25 2HB GLN 25 -4.487 -2.167 8.798 154 HG2 GLN 25 1HG GLN 25 -5.626 -0.287 9.281 155 HG3 GLN 25 2HG GLN 25 -5.510 -0.052 7.537 156 HE21 GLN 25 1HE2 GLN 25 -7.354 -1.265 6.337 157 HE22 GLN 25 2HE2 GLN 25 -8.937 -0.986 6.970 158 H VAL 26 H VAL 26 -4.125 -0.238 5.763 159 HA VAL 26 HA VAL 26 -1.315 -0.726 6.353 160 HB VAL 26 HB VAL 26 -1.393 -1.685 4.179 161 HG11 VAL 26 1HG1 VAL 26 -2.955 0.760 3.362 162 HG12 VAL 26 2HG1 VAL 26 -2.304 -0.427 2.229 163 HG13 VAL 26 3HG1 VAL 26 -3.525 -0.908 3.409 164 HG21 VAL 26 3HG2 VAL 26 -0.038 -0.075 2.841 165 HG22 VAL 26 1HG2 VAL 26 -0.395 1.156 4.052 166 HG23 VAL 26 2HG2 VAL 26 0.524 -0.281 4.500 167 H SER 27 H SER 27 -0.518 1.067 7.211 168 HA SER 27 HA SER 27 -1.616 3.658 6.334 169 HB2 SER 27 1HB SER 27 -1.421 4.506 8.565 170 HB3 SER 27 2HB SER 27 -2.258 2.958 8.677 171 HG SER 27 HG SER 27 0.191 2.283 8.911 172 H TRP 28 H TRP 28 -0.067 5.504 6.936 173 HA TRP 28 HA TRP 28 2.703 5.009 7.169 174 HB2 TRP 28 1HB TRP 28 3.389 5.689 4.875 175 HB3 TRP 28 2HB TRP 28 2.547 4.143 4.915 176 HD1 TRP 28 HD TRP 28 1.907 7.833 3.968 177 HE1 TRP 28 1HE TRP 28 0.030 7.893 2.208 178 HE3 TRP 28 3HE TRP 28 0.667 2.873 3.934 179 HZ2 TRP 28 2HZ TRP 28 -1.742 6.079 0.970 180 HZ3 TRP 28 3HZ TRP 28 -1.131 2.118 2.433 181 HH2 TRP 28 HH TRP 28 -2.310 3.689 0.983 182 H THR 29 H THR 29 3.998 7.034 6.667 183 HA THR 29 HA THR 29 2.437 9.338 7.568 184 HB THR 29 HB THR 29 5.424 8.879 7.488 185 HG1 THR 29 1HG THR 29 4.361 7.762 9.160 186 HG21 THR 29 3HG2 THR 29 4.029 11.203 8.789 187 HG22 THR 29 1HG2 THR 29 4.621 11.282 7.130 188 HG23 THR 29 2HG2 THR 29 5.749 10.999 8.456 189 HA PRO 30 HA PRO 30 2.592 10.829 3.348 190 HB2 PRO 30 1HB PRO 30 1.076 13.033 3.810 191 HB3 PRO 30 2HB PRO 30 0.388 11.415 3.623 192 HG2 PRO 30 1HG PRO 30 0.972 12.947 6.128 193 HG3 PRO 30 2HG PRO 30 -0.452 11.973 5.718 194 HD2 PRO 30 1HD PRO 30 1.539 11.047 7.302 195 HD3 PRO 30 2HD PRO 30 0.602 9.988 6.229 196 HA PRO 31 HA PRO 31 5.940 13.702 3.700 197 HB2 PRO 31 1HB PRO 31 5.979 14.547 1.121 198 HB3 PRO 31 2HB PRO 31 6.583 12.963 1.622 199 HG2 PRO 31 1HG PRO 31 3.945 13.687 0.405 200 HG3 PRO 31 2HG PRO 31 5.007 12.315 0.039 201 HD2 PRO 31 1HD PRO 31 2.812 12.081 1.607 202 HD3 PRO 31 2HD PRO 31 4.270 11.099 1.854 203 H LEU 32 H LEU 32 6.356 16.035 2.629 204 HA LEU 32 HA LEU 32 4.139 17.680 3.587 205 HB2 LEU 32 1HB LEU 32 6.402 18.054 4.484 206 HB3 LEU 32 2HB LEU 32 6.962 18.454 2.862 207 HG LEU 32 HG LEU 32 5.066 20.287 3.039 208 HD11 LEU 32 1HD1 LEU 32 4.692 19.209 5.465 209 HD12 LEU 32 2HD1 LEU 32 4.382 20.905 5.099 210 HD13 LEU 32 3HD1 LEU 32 5.898 20.432 5.867 211 HD21 LEU 32 3HD2 LEU 32 6.778 21.734 3.127 212 HD22 LEU 32 1HD2 LEU 32 7.783 20.285 3.111 213 HD23 LEU 32 2HD2 LEU 32 7.394 21.071 4.641 214 H GLY 33 H GLY 33 6.208 17.272 0.737 215 HA2 GLY 33 1HA GLY 33 5.337 19.344 -0.851 216 HA3 GLY 33 2HA GLY 33 5.812 17.770 -1.472 217 H ARG 34 H ARG 34 3.724 19.628 -2.395 218 HA ARG 34 HA ARG 34 1.166 18.666 -1.692 219 HB2 ARG 34 1HB ARG 34 1.675 20.842 -2.852 220 HB3 ARG 34 2HB ARG 34 1.957 19.920 -4.323 221 HG2 ARG 34 1HG ARG 34 -0.631 19.678 -2.843 222 HG3 ARG 34 2HG ARG 34 -0.341 21.015 -3.958 223 HD2 ARG 34 1HD ARG 34 0.357 19.167 -5.623 224 HD3 ARG 34 2HD ARG 34 -0.491 18.077 -4.526 225 HE ARG 34 HE ARG 34 -2.465 18.879 -5.341 226 HH11 ARG 34 1HH1 ARG 34 0.059 21.158 -6.087 227 HH12 ARG 34 2HH1 ARG 34 -0.963 22.174 -7.049 228 HH21 ARG 34 1HH2 ARG 34 -3.821 20.208 -6.605 229 HH22 ARG 34 2HH2 ARG 34 -3.170 21.633 -7.343 230 H VAL 35 H VAL 35 0.959 16.472 -1.785 231 HA VAL 35 HA VAL 35 1.626 15.098 -4.283 232 HB VAL 35 HB VAL 35 2.450 13.986 -2.322 233 HG11 VAL 35 1HG1 VAL 35 0.163 13.102 -0.957 234 HG12 VAL 35 2HG1 VAL 35 1.396 14.225 -0.381 235 HG13 VAL 35 3HG1 VAL 35 -0.046 14.837 -1.192 236 HG21 VAL 35 3HG2 VAL 35 1.827 12.410 -3.934 237 HG22 VAL 35 1HG2 VAL 35 1.080 11.820 -2.449 238 HG23 VAL 35 2HG2 VAL 35 0.105 12.665 -3.652 239 H LEU 36 H LEU 36 0.080 15.038 -5.771 240 HA LEU 36 HA LEU 36 -2.591 15.652 -5.450 241 HB2 LEU 36 1HB LEU 36 -1.466 13.720 -7.470 242 HB3 LEU 36 2HB LEU 36 -2.969 14.630 -7.605 243 HG LEU 36 HG LEU 36 -0.251 15.925 -7.492 244 HD11 LEU 36 1HD1 LEU 36 -1.639 15.935 -10.053 245 HD12 LEU 36 2HD1 LEU 36 -1.129 14.327 -9.540 246 HD13 LEU 36 3HD1 LEU 36 0.057 15.625 -9.681 247 HD21 LEU 36 3HD2 LEU 36 -1.725 17.597 -6.976 248 HD22 LEU 36 1HD2 LEU 36 -3.051 16.858 -7.875 249 HD23 LEU 36 2HD2 LEU 36 -1.757 17.690 -8.738 250 H HIS 37 H HIS 37 -1.456 12.335 -6.099 251 HA HIS 37 HA HIS 37 -3.379 11.346 -4.116 252 HB2 HIS 37 1HB HIS 37 -3.889 9.460 -5.771 253 HB3 HIS 37 2HB HIS 37 -4.610 11.032 -6.104 254 HD1 HIS 37 1HD HIS 37 -2.763 8.405 -7.699 255 HD2 HIS 37 2HD HIS 37 -2.958 12.537 -8.094 256 HE1 HIS 37 1HE HIS 37 -1.801 8.910 -9.967 257 HE2 HIS 37 2HE HIS 37 -1.851 11.422 -10.148 258 H TYR 38 H TYR 38 -3.036 8.853 -3.881 259 HA TYR 38 HA TYR 38 -0.130 8.376 -3.769 260 HB2 TYR 38 1HB TYR 38 -2.298 7.433 -1.883 261 HB3 TYR 38 2HB TYR 38 -0.616 6.922 -1.801 262 HD1 TYR 38 2HD TYR 38 1.030 9.148 -1.959 263 HD2 TYR 38 1HD TYR 38 -2.875 8.972 -0.278 264 HE1 TYR 38 2HE TYR 38 1.556 11.093 -0.548 265 HE2 TYR 38 1HE TYR 38 -2.360 10.917 1.137 266 HH TYR 38 HH TYR 38 0.869 12.359 1.173 267 H TRP 39 H TRP 39 0.076 7.270 -5.690 268 HA TRP 39 HA TRP 39 -1.657 5.264 -6.617 269 HB2 TRP 39 1HB TRP 39 0.140 6.501 -7.930 270 HB3 TRP 39 2HB TRP 39 1.301 5.394 -7.203 271 HD1 TRP 39 HD TRP 39 1.909 3.552 -8.855 272 HE1 TRP 39 1HE TRP 39 0.665 2.169 -10.633 273 HE3 TRP 39 3HE TRP 39 -2.731 5.653 -8.415 274 HZ2 TRP 39 2HZ TRP 39 -1.940 1.992 -11.707 275 HZ3 TRP 39 3HZ TRP 39 -4.544 4.819 -9.855 276 HH2 TRP 39 HH TRP 39 -4.154 3.027 -11.467 277 H LEU 40 H LEU 40 -2.149 3.512 -5.459 278 HA LEU 40 HA LEU 40 -0.076 2.190 -3.878 279 HB2 LEU 40 1HB LEU 40 -2.599 2.767 -3.225 280 HB3 LEU 40 2HB LEU 40 -2.859 1.174 -3.932 281 HG LEU 40 HG LEU 40 -0.833 0.611 -2.250 282 HD11 LEU 40 1HD1 LEU 40 -1.278 1.747 -0.114 283 HD12 LEU 40 2HD1 LEU 40 -2.393 2.834 -0.942 284 HD13 LEU 40 3HD1 LEU 40 -0.678 2.851 -1.353 285 HD21 LEU 40 3HD2 LEU 40 -2.719 -0.001 -0.608 286 HD22 LEU 40 1HD2 LEU 40 -2.731 -0.733 -2.213 287 HD23 LEU 40 2HD2 LEU 40 -3.803 0.621 -1.853 288 H THR 41 H THR 41 0.206 -0.119 -3.991 289 HA THR 41 HA THR 41 -0.895 -1.634 -6.150 290 HB THR 41 HB THR 41 1.376 -2.083 -7.216 291 HG1 THR 41 1HG THR 41 2.656 0.044 -6.977 292 HG21 THR 41 3HG2 THR 41 0.977 -0.518 -8.859 293 HG22 THR 41 1HG2 THR 41 0.597 0.758 -7.703 294 HG23 THR 41 2HG2 THR 41 -0.576 -0.519 -8.025 295 H TYR 42 H TYR 42 -1.286 -3.378 -4.920 296 HA TYR 42 HA TYR 42 0.836 -4.393 -3.170 297 HB2 TYR 42 1HB TYR 42 -0.995 -5.855 -2.254 298 HB3 TYR 42 2HB TYR 42 -1.253 -4.128 -2.031 299 HD1 TYR 42 1HD TYR 42 -2.854 -2.932 -3.569 300 HD2 TYR 42 2HD TYR 42 -2.553 -7.174 -3.437 301 HE1 TYR 42 1HE TYR 42 -5.053 -3.116 -4.655 302 HE2 TYR 42 2HE TYR 42 -4.751 -7.369 -4.524 303 HH TYR 42 HH TYR 42 -6.400 -6.265 -5.554 304 H ALA 43 H ALA 43 1.018 -6.812 -3.044 305 HA ALA 43 HA ALA 43 0.282 -8.335 -5.369 306 HB1 ALA 43 3HB ALA 43 3.056 -8.717 -5.363 307 HB2 ALA 43 1HB ALA 43 2.078 -7.944 -6.612 308 HB3 ALA 43 2HB ALA 43 2.810 -6.971 -5.336 309 HA PRO 44 HA PRO 44 0.818 -11.792 -2.719 310 HB2 PRO 44 1HB PRO 44 2.012 -13.663 -4.281 311 HB3 PRO 44 2HB PRO 44 0.329 -13.167 -4.493 312 HG2 PRO 44 1HG PRO 44 2.763 -12.301 -6.005 313 HG3 PRO 44 2HG PRO 44 1.153 -12.720 -6.620 314 HD2 PRO 44 1HD PRO 44 1.968 -10.158 -6.297 315 HD3 PRO 44 2HD PRO 44 0.276 -10.655 -6.093 316 H ALA 45 H ALA 45 3.412 -9.986 -3.593 317 HA ALA 45 HA ALA 45 5.532 -9.750 -2.799 318 HB1 ALA 45 3HB ALA 45 5.653 -11.664 -0.708 319 HB2 ALA 45 1HB ALA 45 5.482 -9.912 -0.589 320 HB3 ALA 45 2HB ALA 45 4.048 -10.934 -0.691 321 H SER 46 H SER 46 4.892 -11.788 -4.819 322 HA SER 46 HA SER 46 7.006 -13.764 -4.300 323 HB2 SER 46 1HB SER 46 4.875 -13.827 -6.449 324 HB3 SER 46 2HB SER 46 5.990 -15.128 -6.030 325 HG SER 46 HG SER 46 4.585 -15.719 -4.601 326 H GLY 47 H GLY 47 5.788 -11.547 -6.797 327 HA2 GLY 47 1HA GLY 47 7.291 -10.116 -8.005 328 HA3 GLY 47 2HA GLY 47 8.543 -11.333 -7.810 329 H LEU 48 H LEU 48 6.964 -13.581 -8.584 330 HA LEU 48 HA LEU 48 7.183 -13.298 -11.440 331 HB2 LEU 48 1HB LEU 48 6.185 -15.741 -11.207 332 HB3 LEU 48 2HB LEU 48 7.882 -15.381 -10.898 333 HG LEU 48 HG LEU 48 5.945 -15.340 -8.626 334 HD11 LEU 48 1HD1 LEU 48 6.494 -17.640 -10.281 335 HD12 LEU 48 2HD1 LEU 48 5.380 -17.467 -8.925 336 HD13 LEU 48 3HD1 LEU 48 7.068 -17.883 -8.631 337 HD21 LEU 48 3HD2 LEU 48 8.650 -16.518 -8.470 338 HD22 LEU 48 1HD2 LEU 48 7.794 -15.478 -7.331 339 HD23 LEU 48 2HD2 LEU 48 8.561 -14.780 -8.758 340 H GLY 49 H GLY 49 4.604 -13.511 -9.072 341 HA2 GLY 49 1HA GLY 49 2.527 -13.829 -11.047 342 HA3 GLY 49 2HA GLY 49 2.300 -13.541 -9.328 343 HA PRO 50 HA PRO 50 1.423 -9.685 -11.943 344 HB2 PRO 50 1HB PRO 50 -1.268 -9.622 -11.591 345 HB3 PRO 50 2HB PRO 50 -0.495 -10.467 -12.938 346 HG2 PRO 50 1HG PRO 50 -1.540 -11.570 -10.358 347 HG3 PRO 50 2HG PRO 50 -1.705 -12.218 -12.001 348 HD2 PRO 50 1HD PRO 50 0.112 -13.172 -10.233 349 HD3 PRO 50 2HD PRO 50 0.408 -13.141 -11.984 350 H GLU 51 H GLU 51 0.296 -7.690 -11.118 351 HA GLU 51 HA GLU 51 -0.001 -7.644 -8.205 352 HB2 GLU 51 1HB GLU 51 1.497 -5.842 -7.891 353 HB3 GLU 51 2HB GLU 51 2.358 -7.002 -8.893 354 HG2 GLU 51 1HG GLU 51 1.418 -5.562 -10.857 355 HG3 GLU 51 2HG GLU 51 1.259 -4.329 -9.607 356 H LYS 52 H LYS 52 -1.739 -6.535 -7.598 357 HA LYS 52 HA LYS 52 -3.325 -5.158 -9.563 358 HB2 LYS 52 1HB LYS 52 -3.692 -5.639 -6.605 359 HB3 LYS 52 2HB LYS 52 -4.853 -4.755 -7.587 360 HG2 LYS 52 1HG LYS 52 -3.994 -7.540 -8.289 361 HG3 LYS 52 2HG LYS 52 -5.305 -7.223 -7.150 362 HD2 LYS 52 1HD LYS 52 -6.683 -6.348 -8.773 363 HD3 LYS 52 2HD LYS 52 -5.336 -5.870 -9.808 364 HE2 LYS 52 1HE LYS 52 -6.346 -7.685 -10.907 365 HE3 LYS 52 2HE LYS 52 -4.909 -8.354 -10.136 366 HZ1 LYS 52 3HZ LYS 52 -6.187 -9.371 -8.484 367 HZ2 LYS 52 1HZ LYS 52 -7.051 -9.657 -9.910 368 HZ3 LYS 52 2HZ LYS 52 -7.564 -8.454 -8.837 369 H SER 53 H SER 53 -4.464 -3.053 -8.443 370 HA SER 53 HA SER 53 -2.598 -1.285 -7.166 371 HB2 SER 53 1HB SER 53 -2.346 0.315 -8.957 372 HB3 SER 53 2HB SER 53 -1.827 -1.262 -9.552 373 HG SER 53 HG SER 53 -3.720 -1.451 -10.684 374 H VAL 54 H VAL 54 -3.595 0.468 -6.250 375 HA VAL 54 HA VAL 54 -6.389 1.005 -6.951 376 HB VAL 54 HB VAL 54 -6.973 1.130 -4.523 377 HG11 VAL 54 1HG1 VAL 54 -7.323 -1.246 -4.255 378 HG12 VAL 54 2HG1 VAL 54 -7.569 -0.799 -5.945 379 HG13 VAL 54 3HG1 VAL 54 -6.075 -1.595 -5.451 380 HG21 VAL 54 3HG2 VAL 54 -4.799 1.345 -3.537 381 HG22 VAL 54 1HG2 VAL 54 -5.518 -0.158 -2.960 382 HG23 VAL 54 2HG2 VAL 54 -4.283 -0.198 -4.219 383 H SER 55 H SER 55 -7.033 3.106 -6.664 384 HA SER 55 HA SER 55 -4.900 5.029 -6.231 385 HB2 SER 55 1HB SER 55 -6.294 5.439 -8.145 386 HB3 SER 55 2HB SER 55 -7.759 5.329 -7.169 387 HG SER 55 HG SER 55 -7.052 7.215 -6.064 388 H VAL 56 H VAL 56 -4.873 6.605 -4.651 389 HA VAL 56 HA VAL 56 -6.946 6.466 -2.573 390 HB VAL 56 HB VAL 56 -3.972 6.256 -2.159 391 HG11 VAL 56 1HG1 VAL 56 -6.061 7.002 -0.114 392 HG12 VAL 56 2HG1 VAL 56 -4.386 6.579 0.246 393 HG13 VAL 56 3HG1 VAL 56 -4.749 8.026 -0.695 394 HG21 VAL 56 3HG2 VAL 56 -5.621 4.257 -2.416 395 HG22 VAL 56 1HG2 VAL 56 -4.412 4.234 -1.131 396 HG23 VAL 56 2HG2 VAL 56 -6.083 4.663 -0.763 397 HA PRO 57 HA PRO 57 -6.819 10.861 -3.100 398 HB2 PRO 57 1HB PRO 57 -8.390 11.499 -0.980 399 HB3 PRO 57 2HB PRO 57 -9.033 10.834 -2.486 400 HG2 PRO 57 1HG PRO 57 -8.435 9.442 0.096 401 HG3 PRO 57 2HG PRO 57 -9.839 9.263 -0.973 402 HD2 PRO 57 1HD PRO 57 -7.783 7.501 -0.960 403 HD3 PRO 57 2HD PRO 57 -8.713 7.872 -2.426 404 H GLY 58 H GLY 58 -5.303 12.278 -2.502 405 HA2 GLY 58 1HA GLY 58 -3.350 11.878 -0.628 406 HA3 GLY 58 2HA GLY 58 -3.841 13.472 -1.182 407 H ALA 59 H ALA 59 -6.539 13.242 -0.098 408 HA ALA 59 HA ALA 59 -6.306 14.517 2.296 409 HB1 ALA 59 3HB ALA 59 -8.613 12.845 2.466 410 HB2 ALA 59 1HB ALA 59 -8.514 14.569 2.106 411 HB3 ALA 59 2HB ALA 59 -8.413 13.387 0.800 412 H ARG 60 H ARG 60 -6.582 11.010 1.814 413 HA ARG 60 HA ARG 60 -5.967 10.611 4.659 414 HB2 ARG 60 1HB ARG 60 -6.870 8.411 4.450 415 HB3 ARG 60 2HB ARG 60 -8.000 9.512 3.673 416 HG2 ARG 60 1HG ARG 60 -6.765 8.896 1.498 417 HG3 ARG 60 2HG ARG 60 -6.145 7.527 2.424 418 HD2 ARG 60 1HD ARG 60 -9.078 8.133 2.359 419 HD3 ARG 60 2HD ARG 60 -8.315 7.239 1.045 420 HE ARG 60 HE ARG 60 -7.521 5.969 3.345 421 HH11 ARG 60 1HH1 ARG 60 -10.557 6.743 1.828 422 HH12 ARG 60 2HH1 ARG 60 -11.381 5.363 2.474 423 HH21 ARG 60 1HH2 ARG 60 -8.595 4.147 4.201 424 HH22 ARG 60 2HH2 ARG 60 -10.264 3.887 3.824 425 H SER 61 H SER 61 -4.298 9.228 5.307 426 HA SER 61 HA SER 61 -2.222 8.823 3.262 427 HB2 SER 61 1HB SER 61 -0.609 8.852 5.117 428 HB3 SER 61 2HB SER 61 -1.582 10.322 5.106 429 HG SER 61 HG SER 61 -2.368 8.110 6.657 430 H HIS 62 H HIS 62 -4.561 7.059 4.169 431 HA HIS 62 HA HIS 62 -2.991 4.602 4.284 432 HB2 HIS 62 1HB HIS 62 -4.217 3.674 6.129 433 HB3 HIS 62 2HB HIS 62 -3.581 5.235 6.638 434 HD1 HIS 62 1HD HIS 62 -5.389 7.254 6.570 435 HD2 HIS 62 2HD HIS 62 -6.903 3.387 6.455 436 HE1 HIS 62 1HE HIS 62 -7.816 7.464 7.194 437 HE2 HIS 62 2HE HIS 62 -8.691 5.102 7.200 438 H VAL 63 H VAL 63 -4.492 2.650 4.038 439 HA VAL 63 HA VAL 63 -7.044 3.047 2.824 440 HB VAL 63 HB VAL 63 -5.330 3.706 1.014 441 HG11 VAL 63 1HG1 VAL 63 -4.308 1.927 -0.223 442 HG12 VAL 63 2HG1 VAL 63 -3.838 1.761 1.470 443 HG13 VAL 63 3HG1 VAL 63 -5.082 0.711 0.791 444 HG21 VAL 63 3HG2 VAL 63 -7.352 1.554 0.394 445 HG22 VAL 63 1HG2 VAL 63 -7.721 3.264 0.617 446 HG23 VAL 63 2HG2 VAL 63 -6.711 2.749 -0.734 447 H THR 64 H THR 64 -8.061 1.040 2.196 448 HA THR 64 HA THR 64 -6.789 -1.299 3.461 449 HB THR 64 HB THR 64 -9.760 -0.896 3.111 450 HG1 THR 64 1HG THR 64 -8.001 0.022 5.081 451 HG21 THR 64 3HG2 THR 64 -8.438 -2.636 5.153 452 HG22 THR 64 1HG2 THR 64 -8.613 -3.209 3.495 453 HG23 THR 64 2HG2 THR 64 -10.041 -2.775 4.433 454 H LEU 65 H LEU 65 -6.551 -3.123 2.302 455 HA LEU 65 HA LEU 65 -7.520 -3.089 -0.469 456 HB2 LEU 65 1HB LEU 65 -5.394 -4.832 0.765 457 HB3 LEU 65 2HB LEU 65 -5.790 -4.705 -0.948 458 HG LEU 65 HG LEU 65 -4.683 -2.429 0.690 459 HD11 LEU 65 1HD1 LEU 65 -3.207 -4.526 0.404 460 HD12 LEU 65 2HD1 LEU 65 -2.536 -2.950 -0.011 461 HD13 LEU 65 3HD1 LEU 65 -3.103 -4.029 -1.285 462 HD21 LEU 65 3HD2 LEU 65 -5.941 -2.463 -1.782 463 HD22 LEU 65 1HD2 LEU 65 -4.220 -2.423 -2.167 464 HD23 LEU 65 2HD2 LEU 65 -4.921 -1.177 -1.134 465 HA PRO 66 HA PRO 66 -10.405 -6.147 1.256 466 HB2 PRO 66 1HB PRO 66 -12.222 -5.858 -0.740 467 HB3 PRO 66 2HB PRO 66 -12.130 -4.760 0.641 468 HG2 PRO 66 1HG PRO 66 -11.043 -4.417 -2.127 469 HG3 PRO 66 2HG PRO 66 -11.885 -3.240 -1.102 470 HD2 PRO 66 1HD PRO 66 -9.193 -3.259 -1.388 471 HD3 PRO 66 2HD PRO 66 -9.989 -2.756 0.117 472 H ASP 67 H ASP 67 -11.706 -7.899 -0.118 473 HA ASP 67 HA ASP 67 -11.432 -9.930 -1.134 474 HB2 ASP 67 1HB ASP 67 -10.334 -8.093 -3.273 475 HB3 ASP 67 2HB ASP 67 -10.800 -9.771 -3.536 476 H LEU 68 H LEU 68 -9.525 -9.789 0.676 477 HA LEU 68 HA LEU 68 -7.009 -10.484 -0.681 478 HB2 LEU 68 1HB LEU 68 -7.658 -9.310 1.974 479 HB3 LEU 68 2HB LEU 68 -6.212 -10.309 1.833 480 HG LEU 68 HG LEU 68 -6.801 -7.762 0.328 481 HD11 LEU 68 1HD1 LEU 68 -6.115 -7.634 2.759 482 HD12 LEU 68 2HD1 LEU 68 -5.087 -6.776 1.611 483 HD13 LEU 68 3HD1 LEU 68 -4.573 -8.332 2.263 484 HD21 LEU 68 3HD2 LEU 68 -4.406 -8.080 -0.443 485 HD22 LEU 68 1HD2 LEU 68 -5.616 -9.127 -1.184 486 HD23 LEU 68 2HD2 LEU 68 -4.564 -9.756 0.083 487 H GLN 69 H GLN 69 -5.718 -12.217 0.409 488 HA GLN 69 HA GLN 69 -7.482 -14.469 1.004 489 HB2 GLN 69 1HB GLN 69 -4.601 -14.264 0.156 490 HB3 GLN 69 2HB GLN 69 -5.284 -15.772 0.749 491 HG2 GLN 69 1HG GLN 69 -6.164 -14.217 -1.671 492 HG3 GLN 69 2HG GLN 69 -5.319 -15.764 -1.648 493 HE21 GLN 69 1HE2 GLN 69 -7.654 -15.475 -3.032 494 HE22 GLN 69 2HE2 GLN 69 -8.910 -16.372 -2.257 495 H ALA 70 H ALA 70 -6.051 -16.151 2.469 496 HA ALA 70 HA ALA 70 -5.545 -14.676 4.970 497 HB1 ALA 70 3HB ALA 70 -7.292 -15.950 5.625 498 HB2 ALA 70 1HB ALA 70 -7.009 -17.172 4.386 499 HB3 ALA 70 2HB ALA 70 -6.031 -17.161 5.855 500 H ALA 71 H ALA 71 -3.879 -15.437 6.361 501 HA ALA 71 HA ALA 71 -1.673 -15.948 6.695 502 HB1 ALA 71 3HB ALA 71 -1.155 -18.370 6.192 503 HB2 ALA 71 1HB ALA 71 -2.556 -18.075 7.222 504 HB3 ALA 71 2HB ALA 71 -2.781 -18.485 5.521 505 H THR 72 H THR 72 -1.873 -14.374 4.484 506 HA THR 72 HA THR 72 0.416 -15.257 2.944 507 HB THR 72 HB THR 72 -2.225 -14.672 1.593 508 HG1 THR 72 1HG THR 72 -2.221 -16.781 1.104 509 HG21 THR 72 3HG2 THR 72 -0.080 -15.549 -0.137 510 HG22 THR 72 1HG2 THR 72 0.330 -14.038 0.674 511 HG23 THR 72 2HG2 THR 72 -1.143 -14.150 -0.289 512 H LYS 73 H LYS 73 1.677 -13.545 3.355 513 HA LYS 73 HA LYS 73 0.841 -10.928 3.834 514 HB2 LYS 73 1HB LYS 73 3.078 -10.368 3.916 515 HB3 LYS 73 2HB LYS 73 3.158 -12.105 4.180 516 HG2 LYS 73 1HG LYS 73 3.548 -10.765 1.513 517 HG3 LYS 73 2HG LYS 73 4.853 -11.261 2.593 518 HD2 LYS 73 1HD LYS 73 2.810 -13.288 1.849 519 HD3 LYS 73 2HD LYS 73 3.991 -12.816 0.625 520 HE2 LYS 73 1HE LYS 73 5.132 -14.528 1.612 521 HE3 LYS 73 2HE LYS 73 5.679 -13.191 2.623 522 HZ1 LYS 73 3HZ LYS 73 4.833 -15.330 3.738 523 HZ2 LYS 73 1HZ LYS 73 3.289 -14.742 3.375 524 HZ3 LYS 73 2HZ LYS 73 4.326 -13.841 4.360 525 H TYR 74 H TYR 74 1.357 -9.001 2.491 526 HA TYR 74 HA TYR 74 1.172 -9.480 -0.392 527 HB2 TYR 74 1HB TYR 74 -0.815 -7.992 1.295 528 HB3 TYR 74 2HB TYR 74 -0.563 -7.533 -0.385 529 HD1 TYR 74 2HD TYR 74 -1.506 -10.386 1.796 530 HD2 TYR 74 1HD TYR 74 -1.595 -8.730 -2.122 531 HE1 TYR 74 2HE TYR 74 -3.050 -12.164 1.086 532 HE2 TYR 74 1HE TYR 74 -3.140 -10.503 -2.843 533 HH TYR 74 HH TYR 74 -3.590 -13.051 -1.892 534 H ARG 75 H ARG 75 2.919 -8.494 -1.160 535 HA ARG 75 HA ARG 75 4.318 -6.421 0.108 536 HB2 ARG 75 1HB ARG 75 4.948 -8.079 -1.873 537 HB3 ARG 75 2HB ARG 75 4.477 -6.698 -2.854 538 HG2 ARG 75 1HG ARG 75 6.086 -5.337 -1.431 539 HG3 ARG 75 2HG ARG 75 6.695 -6.886 -0.845 540 HD2 ARG 75 1HD ARG 75 6.479 -6.281 -3.777 541 HD3 ARG 75 2HD ARG 75 7.889 -5.798 -2.835 542 HE ARG 75 HE ARG 75 7.263 -8.560 -2.490 543 HH11 ARG 75 1HH1 ARG 75 8.795 -6.276 -4.624 544 HH12 ARG 75 2HH1 ARG 75 9.868 -7.445 -5.318 545 HH21 ARG 75 1HH2 ARG 75 8.671 -10.109 -3.395 546 HH22 ARG 75 2HH2 ARG 75 9.797 -9.626 -4.618 547 H VAL 76 H VAL 76 3.158 -4.626 0.619 548 HA VAL 76 HA VAL 76 1.471 -3.338 -1.358 549 HB VAL 76 HB VAL 76 2.163 -2.521 1.468 550 HG11 VAL 76 1HG1 VAL 76 0.962 -1.039 -0.660 551 HG12 VAL 76 2HG1 VAL 76 -0.238 -1.329 0.600 552 HG13 VAL 76 3HG1 VAL 76 1.287 -0.537 0.998 553 HG21 VAL 76 3HG2 VAL 76 -0.569 -3.354 0.728 554 HG22 VAL 76 1HG2 VAL 76 0.652 -4.627 0.746 555 HG23 VAL 76 2HG2 VAL 76 0.357 -3.668 2.196 556 H LEU 77 H LEU 77 2.275 -1.991 -2.815 557 HA LEU 77 HA LEU 77 4.721 -0.489 -2.160 558 HB2 LEU 77 1HB LEU 77 3.670 -1.689 -4.667 559 HB3 LEU 77 2HB LEU 77 4.618 -0.209 -4.793 560 HG LEU 77 HG LEU 77 6.300 -1.626 -3.293 561 HD11 LEU 77 1HD1 LEU 77 5.444 -3.854 -5.014 562 HD12 LEU 77 2HD1 LEU 77 4.411 -3.519 -3.625 563 HD13 LEU 77 3HD1 LEU 77 6.123 -3.867 -3.386 564 HD21 LEU 77 3HD2 LEU 77 6.985 -0.656 -5.339 565 HD22 LEU 77 1HD2 LEU 77 5.935 -1.717 -6.278 566 HD23 LEU 77 2HD2 LEU 77 7.353 -2.377 -5.462 567 H VAL 78 H VAL 78 4.316 1.540 -1.598 568 HA VAL 78 HA VAL 78 2.118 2.965 -2.948 569 HB VAL 78 HB VAL 78 3.306 3.756 -0.297 570 HG11 VAL 78 1HG1 VAL 78 1.257 5.012 -0.037 571 HG12 VAL 78 2HG1 VAL 78 2.023 5.444 -1.567 572 HG13 VAL 78 3HG1 VAL 78 0.630 4.361 -1.551 573 HG21 VAL 78 3HG2 VAL 78 0.781 2.623 0.144 574 HG22 VAL 78 1HG2 VAL 78 1.654 1.477 -0.873 575 HG23 VAL 78 2HG2 VAL 78 2.345 1.996 0.665 576 H SER 79 H SER 79 2.491 4.949 -3.846 577 HA SER 79 HA SER 79 5.165 6.117 -3.584 578 HB2 SER 79 1HB SER 79 3.825 5.704 -6.265 579 HB3 SER 79 2HB SER 79 5.435 6.360 -5.970 580 HG SER 79 HG SER 79 4.532 3.709 -5.533 581 H ALA 80 H ALA 80 5.179 8.294 -3.511 582 HA ALA 80 HA ALA 80 2.637 9.659 -3.421 583 HB1 ALA 80 3HB ALA 80 5.205 11.140 -3.209 584 HB2 ALA 80 1HB ALA 80 3.710 11.329 -2.293 585 HB3 ALA 80 2HB ALA 80 4.797 9.985 -1.940 586 H ILE 81 H ILE 81 1.704 10.571 -5.120 587 HA ILE 81 HA ILE 81 3.226 11.028 -7.551 588 HB ILE 81 HB ILE 81 0.283 11.503 -7.074 589 HG12 ILE 81 1HG1 ILE 81 1.046 9.136 -6.650 590 HG13 ILE 81 2HG1 ILE 81 -0.140 9.312 -7.939 591 HG21 ILE 81 1HG2 ILE 81 0.483 10.942 -9.679 592 HG22 ILE 81 2HG2 ILE 81 0.616 12.579 -9.039 593 HG23 ILE 81 3HG2 ILE 81 2.072 11.661 -9.422 594 HD11 ILE 81 3HD1 ILE 81 1.321 7.892 -8.937 595 HD12 ILE 81 1HD1 ILE 81 2.024 9.430 -9.436 596 HD13 ILE 81 2HD1 ILE 81 2.717 8.542 -8.078 597 H TYR 82 H TYR 82 3.430 13.009 -8.599 598 HA TYR 82 HA TYR 82 2.508 15.411 -7.224 599 HB2 TYR 82 1HB TYR 82 5.418 15.006 -7.941 600 HB3 TYR 82 2HB TYR 82 4.711 16.434 -7.194 601 HD1 TYR 82 1HD TYR 82 3.811 16.273 -4.859 602 HD2 TYR 82 2HD TYR 82 6.077 13.142 -6.638 603 HE1 TYR 82 1HE TYR 82 4.240 15.326 -2.630 604 HE2 TYR 82 2HE TYR 82 6.512 12.186 -4.414 605 HH TYR 82 HH TYR 82 6.133 13.801 -1.612 606 H ALA 83 H ALA 83 2.791 17.368 -8.536 607 HA ALA 83 HA ALA 83 1.763 17.199 -11.056 608 HB1 ALA 83 3HB ALA 83 1.712 19.338 -10.251 609 HB2 ALA 83 1HB ALA 83 3.374 19.275 -9.663 610 HB3 ALA 83 2HB ALA 83 3.055 19.471 -11.387 611 H ALA 84 H ALA 84 5.218 17.452 -10.236 612 HA ALA 84 HA ALA 84 6.096 17.244 -12.939 613 HB1 ALA 84 3HB ALA 84 7.557 18.341 -11.452 614 HB2 ALA 84 1HB ALA 84 7.513 17.006 -10.299 615 HB3 ALA 84 2HB ALA 84 8.342 16.811 -11.844 616 H GLY 85 H GLY 85 6.160 14.954 -10.202 617 HA2 GLY 85 1HA GLY 85 5.620 12.736 -11.944 618 HA3 GLY 85 2HA GLY 85 7.287 12.765 -11.389 619 H ARG 86 H ARG 86 6.783 10.708 -10.386 620 HA ARG 86 HA ARG 86 5.429 11.071 -7.794 621 HB2 ARG 86 1HB ARG 86 4.804 8.644 -7.944 622 HB3 ARG 86 2HB ARG 86 3.991 9.685 -9.105 623 HG2 ARG 86 1HG ARG 86 5.157 8.825 -10.898 624 HG3 ARG 86 2HG ARG 86 6.493 8.262 -9.891 625 HD2 ARG 86 1HD ARG 86 4.604 6.740 -8.851 626 HD3 ARG 86 2HD ARG 86 3.845 7.011 -10.419 627 HE ARG 86 HE ARG 86 6.399 6.258 -11.017 628 HH11 ARG 86 1HH1 ARG 86 3.794 4.879 -9.163 629 HH12 ARG 86 2HH1 ARG 86 4.265 3.241 -9.476 630 HH21 ARG 86 1HH2 ARG 86 7.029 4.106 -11.436 631 HH22 ARG 86 2HH2 ARG 86 6.106 2.803 -10.768 632 H SER 87 H SER 87 6.580 10.531 -6.045 633 HA SER 87 HA SER 87 9.319 10.013 -6.179 634 HB2 SER 87 1HB SER 87 9.145 9.527 -3.742 635 HB3 SER 87 2HB SER 87 8.321 11.016 -4.204 636 HG SER 87 HG SER 87 7.048 8.499 -3.884 637 H GLU 88 H GLU 88 10.403 8.099 -5.102 638 HA GLU 88 HA GLU 88 10.026 5.798 -6.579 639 HB2 GLU 88 1HB GLU 88 11.603 4.750 -5.170 640 HB3 GLU 88 2HB GLU 88 12.035 6.454 -5.163 641 HG2 GLU 88 1HG GLU 88 10.559 6.549 -3.029 642 HG3 GLU 88 2HG GLU 88 10.813 4.805 -3.001 643 H ALA 89 H ALA 89 9.684 3.561 -5.410 644 HA ALA 89 HA ALA 89 7.104 3.730 -3.994 645 HB1 ALA 89 3HB ALA 89 6.763 2.778 -6.157 646 HB2 ALA 89 1HB ALA 89 8.107 1.658 -5.937 647 HB3 ALA 89 2HB ALA 89 6.641 1.477 -4.972 648 H VAL 90 H VAL 90 6.938 2.804 -2.048 649 HA VAL 90 HA VAL 90 9.250 1.296 -1.048 650 HB VAL 90 HB VAL 90 8.188 1.725 1.215 651 HG11 VAL 90 1HG1 VAL 90 9.250 3.792 1.446 652 HG12 VAL 90 2HG1 VAL 90 10.076 3.041 0.079 653 HG13 VAL 90 3HG1 VAL 90 8.856 4.283 -0.201 654 HG21 VAL 90 3HG2 VAL 90 5.928 2.229 0.331 655 HG22 VAL 90 1HG2 VAL 90 6.552 3.486 1.399 656 HG23 VAL 90 2HG2 VAL 90 6.562 3.728 -0.348 657 H SER 91 H SER 91 9.100 -0.821 -0.730 658 HA SER 91 HA SER 91 6.505 -2.117 -0.987 659 HB2 SER 91 1HB SER 91 7.656 -4.076 -1.509 660 HB3 SER 91 2HB SER 91 8.735 -2.835 -2.145 661 HG SER 91 HG SER 91 9.635 -4.592 -0.734 662 H ALA 92 H ALA 92 5.760 -3.705 0.512 663 HA ALA 92 HA ALA 92 7.018 -4.011 3.072 664 HB1 ALA 92 3HB ALA 92 6.151 -2.132 3.950 665 HB2 ALA 92 1HB ALA 92 4.913 -1.995 2.700 666 HB3 ALA 92 2HB ALA 92 4.673 -3.088 4.064 667 H THR 93 H THR 93 6.614 -6.033 3.650 668 HA THR 93 HA THR 93 4.244 -7.377 2.573 669 HB THR 93 HB THR 93 5.387 -9.474 3.354 670 HG1 THR 93 1HG THR 93 7.307 -9.355 4.308 671 HG21 THR 93 3HG2 THR 93 5.746 -8.054 1.065 672 HG22 THR 93 1HG2 THR 93 6.418 -9.658 1.356 673 HG23 THR 93 2HG2 THR 93 7.410 -8.224 1.624 674 H GLY 94 H GLY 94 2.574 -7.948 3.819 675 HA2 GLY 94 1HA GLY 94 2.971 -8.045 6.738 676 HA3 GLY 94 2HA GLY 94 1.649 -7.109 6.056 677 H GLN 95 H GLN 95 2.826 -10.272 6.829 678 HA GLN 95 HA GLN 95 1.131 -11.962 5.505 679 HB2 GLN 95 1HB GLN 95 2.963 -12.509 7.215 680 HB3 GLN 95 2HB GLN 95 1.715 -12.310 8.438 681 HG2 GLN 95 1HG GLN 95 0.384 -14.028 7.087 682 HG3 GLN 95 2HG GLN 95 1.912 -14.377 6.281 683 HE21 GLN 95 1HE2 GLN 95 -0.005 -15.616 8.452 684 HE22 GLN 95 2HE2 GLN 95 1.119 -16.281 9.582 685 H THR 96 H THR 96 -0.996 -12.084 5.323 686 HA THR 96 HA THR 96 -2.780 -10.493 6.814 687 HB THR 96 HB THR 96 -4.543 -12.081 5.780 688 HG1 THR 96 1HG THR 96 -3.756 -13.394 4.129 689 HG21 THR 96 3HG2 THR 96 -3.623 -11.134 3.389 690 HG22 THR 96 1HG2 THR 96 -2.799 -10.079 4.536 691 HG23 THR 96 2HG2 THR 96 -4.559 -10.196 4.552 692 H ALA 97 H ALA 97 -4.874 -11.751 7.698 693 HA ALA 97 HA ALA 97 -3.906 -13.196 10.019 694 HB1 ALA 97 3HB ALA 97 -5.661 -11.338 10.044 695 HB2 ALA 97 1HB ALA 97 -6.780 -12.558 9.438 696 HB3 ALA 97 2HB ALA 97 -5.990 -12.783 10.999 697 H CYS 98 H CYS 98 -4.088 -15.326 10.369 698 HA CYS 98 HA CYS 98 -4.458 -17.185 8.410 699 HB2 CYS 98 1HB CYS 98 -4.686 -17.281 11.380 700 HB3 CYS 98 2HB CYS 98 -5.238 -18.681 10.469 701 HG CYS 98 HG CYS 98 -2.916 -19.739 10.285 702 HA PRO 99 HA PRO 99 -8.723 -17.615 7.487 703 HB2 PRO 99 1HB PRO 99 -8.994 -20.302 7.207 704 HB3 PRO 99 2HB PRO 99 -8.142 -19.295 6.031 705 HG2 PRO 99 1HG PRO 99 -7.029 -20.994 8.230 706 HG3 PRO 99 2HG PRO 99 -6.461 -20.812 6.560 707 HD2 PRO 99 1HD PRO 99 -5.292 -19.537 8.643 708 HD3 PRO 99 2HD PRO 99 -5.367 -18.835 7.014 709 H SER 100 H SER 100 -10.744 -18.097 8.353 710 HA SER 100 HA SER 100 -10.894 -18.345 11.155 711 HB2 SER 100 1HB SER 100 -12.946 -18.437 8.955 712 HB3 SER 100 2HB SER 100 -13.403 -18.715 10.636 713 HG SER 100 HG SER 100 -12.184 -16.629 10.976 714 H GLY 101 H GLY 101 -11.261 -20.043 12.486 715 HA2 GLY 101 1HA GLY 101 -12.061 -22.619 11.395 716 HA3 GLY 101 2HA GLY 101 -10.440 -22.550 12.070 717 HA PRO 102 HA PRO 102 -13.588 -23.579 15.396 718 HB2 PRO 102 1HB PRO 102 -12.498 -25.963 16.100 719 HB3 PRO 102 2HB PRO 102 -13.720 -25.803 14.834 720 HG2 PRO 102 1HG PRO 102 -10.747 -26.049 14.577 721 HG3 PRO 102 2HG PRO 102 -12.021 -26.838 13.629 722 HD2 PRO 102 1HD PRO 102 -10.670 -24.669 12.734 723 HD3 PRO 102 2HD PRO 102 -12.366 -24.978 12.311 724 H SER 103 H SER 103 -13.192 -23.655 17.665 725 HA SER 103 HA SER 103 -10.953 -22.170 18.510 726 HB2 SER 103 1HB SER 103 -11.770 -22.615 20.796 727 HB3 SER 103 2HB SER 103 -13.081 -22.124 19.723 728 HG SER 103 HG SER 103 -12.559 -24.852 19.952 729 H SER 104 H SER 104 -11.427 -25.535 18.030 730 HA SER 104 HA SER 104 -9.304 -26.377 19.795 731 HB2 SER 104 1HB SER 104 -9.720 -28.616 18.875 732 HB3 SER 104 2HB SER 104 -11.231 -27.849 19.365 733 HG SER 104 HG SER 104 -10.614 -28.829 16.997 734 H GLY 105 H GLY 105 -7.305 -25.740 19.247 735 HA2 GLY 105 1HA GLY 105 -6.172 -26.741 16.783 736 HA3 GLY 105 2HA GLY 105 -6.247 -24.988 16.876 Start of MODEL 14 1 H1 GLY 1 H GLY 1 16.808 6.492 -13.108 2 HA2 GLY 1 1HA GLY 1 14.949 8.164 -12.860 3 HA3 GLY 1 2HA GLY 1 14.509 7.261 -11.418 4 H SER 2 H SER 2 14.888 9.871 -11.076 5 HA SER 2 HA SER 2 17.640 10.239 -10.130 6 HB2 SER 2 1HB SER 2 15.438 12.303 -10.345 7 HB3 SER 2 2HB SER 2 17.148 12.608 -10.042 8 HG SER 2 HG SER 2 17.619 11.960 -12.112 9 H SER 3 H SER 3 18.111 10.794 -8.011 10 HA SER 3 HA SER 3 15.898 10.649 -6.081 11 HB2 SER 3 1HB SER 3 17.346 9.278 -4.590 12 HB3 SER 3 2HB SER 3 16.931 8.450 -6.091 13 HG SER 3 HG SER 3 19.235 9.931 -6.240 14 H GLY 4 H GLY 4 16.339 11.642 -4.022 15 HA2 GLY 4 1HA GLY 4 18.474 12.871 -3.005 16 HA3 GLY 4 2HA GLY 4 18.069 13.965 -4.320 17 H SER 5 H SER 5 17.618 15.660 -2.889 18 HA SER 5 HA SER 5 15.123 15.320 -1.356 19 HB2 SER 5 1HB SER 5 17.563 16.982 -0.712 20 HB3 SER 5 2HB SER 5 16.013 17.200 0.100 21 HG SER 5 HG SER 5 17.900 15.238 0.415 22 H SER 6 H SER 6 15.114 16.001 -4.060 23 HA SER 6 HA SER 6 15.109 18.747 -4.609 24 HB2 SER 6 1HB SER 6 13.654 18.137 -6.547 25 HB3 SER 6 2HB SER 6 15.094 17.129 -6.410 26 HG SER 6 HG SER 6 13.520 15.734 -5.107 27 H GLY 7 H GLY 7 12.344 16.608 -3.881 28 HA2 GLY 7 1HA GLY 7 11.060 18.462 -2.194 29 HA3 GLY 7 2HA GLY 7 10.392 18.614 -3.812 30 H ARG 8 H ARG 8 10.152 16.160 -4.765 31 HA ARG 8 HA ARG 8 7.909 15.118 -3.456 32 HB2 ARG 8 1HB ARG 8 9.712 13.673 -5.405 33 HB3 ARG 8 2HB ARG 8 8.041 13.272 -5.031 34 HG2 ARG 8 1HG ARG 8 7.226 15.185 -6.125 35 HG3 ARG 8 2HG ARG 8 8.826 15.926 -6.190 36 HD2 ARG 8 1HD ARG 8 8.121 13.362 -7.604 37 HD3 ARG 8 2HD ARG 8 7.990 14.952 -8.355 38 HE ARG 8 HE ARG 8 10.314 15.099 -8.415 39 HH11 ARG 8 1HH1 ARG 8 9.265 12.190 -6.815 40 HH12 ARG 8 2HH1 ARG 8 10.825 11.438 -6.877 41 HH21 ARG 8 1HH2 ARG 8 12.372 14.119 -8.503 42 HH22 ARG 8 2HH2 ARG 8 12.591 12.536 -7.837 43 H SER 9 H SER 9 7.788 14.018 -1.625 44 HA SER 9 HA SER 9 10.064 12.310 -0.854 45 HB2 SER 9 1HB SER 9 9.678 14.321 0.606 46 HB3 SER 9 2HB SER 9 8.105 13.643 1.028 47 HG SER 9 HG SER 9 9.529 12.983 2.586 48 HA PRO 10 HA PRO 10 7.103 9.019 -1.268 49 HB2 PRO 10 1HB PRO 10 8.749 7.041 -0.403 50 HB3 PRO 10 2HB PRO 10 8.863 7.747 -2.019 51 HG2 PRO 10 1HG PRO 10 10.496 8.328 0.422 52 HG3 PRO 10 2HG PRO 10 11.028 8.125 -1.258 53 HD2 PRO 10 1HD PRO 10 10.722 10.559 -0.111 54 HD3 PRO 10 2HD PRO 10 10.431 10.274 -1.839 55 HA PRO 11 HA PRO 11 5.424 8.408 2.753 56 HB2 PRO 11 1HB PRO 11 4.305 5.949 2.489 57 HB3 PRO 11 2HB PRO 11 3.637 7.395 1.724 58 HG2 PRO 11 1HG PRO 11 5.362 5.253 0.543 59 HG3 PRO 11 2HG PRO 11 3.936 6.048 -0.148 60 HD2 PRO 11 1HD PRO 11 6.463 6.731 -0.840 61 HD3 PRO 11 2HD PRO 11 5.132 7.906 -0.802 62 H SER 12 H SER 12 6.406 7.930 4.606 63 HA SER 12 HA SER 12 8.157 5.562 4.702 64 HB2 SER 12 1HB SER 12 8.339 8.037 6.435 65 HB3 SER 12 2HB SER 12 9.495 6.708 6.358 66 HG SER 12 HG SER 12 8.839 8.369 4.155 67 H ASN 13 H ASN 13 8.506 4.935 7.160 68 HA ASN 13 HA ASN 13 7.610 3.875 8.962 69 HB2 ASN 13 1HB ASN 13 5.780 6.266 8.767 70 HB3 ASN 13 2HB ASN 13 5.651 5.084 10.066 71 HD21 ASN 13 1HD2 ASN 13 7.486 7.679 8.723 72 HD22 ASN 13 2HD2 ASN 13 8.581 7.871 10.046 73 H LEU 14 H LEU 14 6.933 2.723 6.579 74 HA LEU 14 HA LEU 14 4.178 2.342 6.152 75 HB2 LEU 14 1HB LEU 14 6.676 0.977 5.335 76 HB3 LEU 14 2HB LEU 14 5.181 0.053 5.204 77 HG LEU 14 HG LEU 14 5.702 2.712 3.876 78 HD11 LEU 14 1HD1 LEU 14 6.876 1.519 2.408 79 HD12 LEU 14 2HD1 LEU 14 5.343 0.790 1.931 80 HD13 LEU 14 3HD1 LEU 14 6.367 -0.011 3.122 81 HD21 LEU 14 3HD2 LEU 14 3.441 2.717 3.929 82 HD22 LEU 14 1HD2 LEU 14 3.332 0.972 4.154 83 HD23 LEU 14 2HD2 LEU 14 3.637 1.635 2.549 84 H ALA 15 H ALA 15 2.704 1.168 7.193 85 HA ALA 15 HA ALA 15 3.599 -0.999 8.964 86 HB1 ALA 15 3HB ALA 15 1.347 0.725 9.869 87 HB2 ALA 15 1HB ALA 15 2.493 -0.227 10.814 88 HB3 ALA 15 2HB ALA 15 3.000 1.300 10.090 89 H LEU 16 H LEU 16 2.784 -2.738 7.963 90 HA LEU 16 HA LEU 16 0.134 -2.623 6.752 91 HB2 LEU 16 1HB LEU 16 2.466 -4.457 6.597 92 HB3 LEU 16 2HB LEU 16 0.868 -5.128 6.278 93 HG LEU 16 HG LEU 16 0.585 -3.369 4.510 94 HD11 LEU 16 1HD1 LEU 16 3.438 -2.841 5.268 95 HD12 LEU 16 2HD1 LEU 16 2.113 -1.695 5.071 96 HD13 LEU 16 3HD1 LEU 16 2.823 -2.472 3.657 97 HD21 LEU 16 3HD2 LEU 16 1.096 -5.570 3.802 98 HD22 LEU 16 1HD2 LEU 16 2.780 -5.417 4.301 99 HD23 LEU 16 2HD2 LEU 16 2.184 -4.499 2.918 100 H ALA 17 H ALA 17 -1.450 -2.802 8.225 101 HA ALA 17 HA ALA 17 -1.258 -4.986 10.195 102 HB1 ALA 17 3HB ALA 17 -3.112 -2.648 10.475 103 HB2 ALA 17 1HB ALA 17 -2.507 -3.742 11.719 104 HB3 ALA 17 2HB ALA 17 -1.429 -2.550 10.991 105 H SER 18 H SER 18 -2.689 -6.596 10.080 106 HA SER 18 HA SER 18 -4.944 -6.298 8.212 107 HB2 SER 18 1HB SER 18 -4.705 -8.507 7.595 108 HB3 SER 18 2HB SER 18 -3.031 -8.125 7.995 109 HG SER 18 HG SER 18 -4.925 -9.370 9.705 110 H GLU 19 H GLU 19 -6.951 -6.343 8.980 111 HA GLU 19 HA GLU 19 -7.346 -7.117 11.785 112 HB2 GLU 19 1HB GLU 19 -9.394 -5.663 10.149 113 HB3 GLU 19 2HB GLU 19 -9.143 -5.637 11.889 114 HG2 GLU 19 1HG GLU 19 -6.865 -4.528 11.237 115 HG3 GLU 19 2HG GLU 19 -7.721 -4.144 9.745 116 H THR 20 H THR 20 -8.135 -7.972 8.547 117 HA THR 20 HA THR 20 -9.712 -10.228 9.540 118 HB THR 20 HB THR 20 -11.554 -8.998 8.926 119 HG1 THR 20 1HG THR 20 -11.877 -9.588 6.515 120 HG21 THR 20 3HG2 THR 20 -11.653 -7.322 7.237 121 HG22 THR 20 1HG2 THR 20 -10.126 -7.850 6.531 122 HG23 THR 20 2HG2 THR 20 -10.144 -7.071 8.113 123 HA PRO 21 HA PRO 21 -7.312 -12.516 6.650 124 HB2 PRO 21 1HB PRO 21 -8.966 -14.630 6.240 125 HB3 PRO 21 2HB PRO 21 -8.055 -14.399 7.737 126 HG2 PRO 21 1HG PRO 21 -10.922 -13.768 7.148 127 HG3 PRO 21 2HG PRO 21 -10.215 -14.518 8.591 128 HD2 PRO 21 1HD PRO 21 -10.917 -11.904 8.503 129 HD3 PRO 21 2HD PRO 21 -9.551 -12.494 9.471 130 H ASP 22 H ASP 22 -10.153 -10.952 5.840 131 HA ASP 22 HA ASP 22 -9.989 -11.811 3.028 132 HB2 ASP 22 1HB ASP 22 -12.290 -10.204 4.048 133 HB3 ASP 22 2HB ASP 22 -12.250 -11.425 2.779 134 H SER 23 H SER 23 -8.947 -9.433 5.028 135 HA SER 23 HA SER 23 -8.507 -7.614 2.814 136 HB2 SER 23 1HB SER 23 -10.726 -7.088 4.216 137 HB3 SER 23 2HB SER 23 -9.555 -6.285 5.263 138 HG SER 23 HG SER 23 -8.887 -5.528 2.890 139 H LEU 24 H LEU 24 -7.151 -5.683 3.610 140 HA LEU 24 HA LEU 24 -5.481 -6.329 5.910 141 HB2 LEU 24 1HB LEU 24 -4.497 -7.431 3.889 142 HB3 LEU 24 2HB LEU 24 -4.286 -5.827 3.191 143 HG LEU 24 HG LEU 24 -2.943 -5.420 5.436 144 HD11 LEU 24 1HD1 LEU 24 -3.597 -7.907 6.010 145 HD12 LEU 24 2HD1 LEU 24 -2.023 -7.246 6.450 146 HD13 LEU 24 3HD1 LEU 24 -2.183 -8.264 5.019 147 HD21 LEU 24 3HD2 LEU 24 -1.304 -7.007 3.623 148 HD22 LEU 24 1HD2 LEU 24 -1.193 -5.300 4.054 149 HD23 LEU 24 2HD2 LEU 24 -2.311 -5.820 2.792 150 H GLN 25 H GLN 25 -5.006 -4.551 7.027 151 HA GLN 25 HA GLN 25 -5.623 -1.957 5.845 152 HB2 GLN 25 1HB GLN 25 -6.321 -2.894 8.226 153 HB3 GLN 25 2HB GLN 25 -4.749 -2.249 8.681 154 HG2 GLN 25 1HG GLN 25 -5.400 -0.097 8.433 155 HG3 GLN 25 2HG GLN 25 -6.522 -0.470 7.125 156 HE21 GLN 25 1HE2 GLN 25 -8.277 -2.146 8.056 157 HE22 GLN 25 2HE2 GLN 25 -9.093 -1.548 9.456 158 H VAL 26 H VAL 26 -4.157 -0.375 5.472 159 HA VAL 26 HA VAL 26 -1.413 -0.708 6.418 160 HB VAL 26 HB VAL 26 -1.299 -1.779 4.276 161 HG11 VAL 26 1HG1 VAL 26 -2.489 0.704 3.050 162 HG12 VAL 26 2HG1 VAL 26 -2.064 -0.798 2.228 163 HG13 VAL 26 3HG1 VAL 26 -3.397 -0.770 3.383 164 HG21 VAL 26 3HG2 VAL 26 0.602 -0.407 4.779 165 HG22 VAL 26 1HG2 VAL 26 0.240 -0.239 3.061 166 HG23 VAL 26 2HG2 VAL 26 -0.222 1.036 4.189 167 H SER 27 H SER 27 -0.326 1.192 6.731 168 HA SER 27 HA SER 27 -1.568 3.679 5.809 169 HB2 SER 27 1HB SER 27 -2.419 3.258 8.092 170 HB3 SER 27 2HB SER 27 -0.759 3.176 8.684 171 HG SER 27 HG SER 27 -2.239 5.314 8.459 172 H TRP 28 H TRP 28 -0.037 5.574 6.700 173 HA TRP 28 HA TRP 28 2.732 5.011 6.906 174 HB2 TRP 28 1HB TRP 28 3.387 6.019 4.688 175 HB3 TRP 28 2HB TRP 28 2.654 4.421 4.592 176 HD1 TRP 28 HD TRP 28 1.809 8.122 3.926 177 HE1 TRP 28 1HE TRP 28 -0.114 8.215 2.218 178 HE3 TRP 28 3HE TRP 28 0.769 3.127 3.603 179 HZ2 TRP 28 2HZ TRP 28 -1.843 6.409 0.907 180 HZ3 TRP 28 3HZ TRP 28 -1.035 2.393 2.100 181 HH2 TRP 28 HH TRP 28 -2.313 4.001 0.781 182 H THR 29 H THR 29 4.048 7.092 6.544 183 HA THR 29 HA THR 29 2.573 9.258 7.828 184 HB THR 29 HB THR 29 5.544 8.928 7.369 185 HG1 THR 29 1HG THR 29 3.903 8.573 9.674 186 HG21 THR 29 3HG2 THR 29 4.134 11.269 7.867 187 HG22 THR 29 1HG2 THR 29 5.860 11.011 8.115 188 HG23 THR 29 2HG2 THR 29 4.733 10.776 9.450 189 HA PRO 30 HA PRO 30 2.297 11.261 3.834 190 HB2 PRO 30 1HB PRO 30 0.849 13.380 4.719 191 HB3 PRO 30 2HB PRO 30 0.136 11.792 4.409 192 HG2 PRO 30 1HG PRO 30 0.989 13.010 7.007 193 HG3 PRO 30 2HG PRO 30 -0.476 12.083 6.633 194 HD2 PRO 30 1HD PRO 30 1.666 10.986 7.875 195 HD3 PRO 30 2HD PRO 30 0.616 10.059 6.784 196 HA PRO 31 HA PRO 31 5.770 13.998 4.366 197 HB2 PRO 31 1HB PRO 31 5.911 14.807 1.779 198 HB3 PRO 31 2HB PRO 31 6.487 13.228 2.324 199 HG2 PRO 31 1HG PRO 31 3.901 13.946 0.998 200 HG3 PRO 31 2HG PRO 31 4.970 12.564 0.692 201 HD2 PRO 31 1HD PRO 31 2.715 12.361 2.178 202 HD3 PRO 31 2HD PRO 31 4.159 11.377 2.494 203 H LEU 32 H LEU 32 6.156 16.297 2.997 204 HA LEU 32 HA LEU 32 3.971 17.984 3.984 205 HB2 LEU 32 1HB LEU 32 5.601 19.816 3.862 206 HB3 LEU 32 2HB LEU 32 6.141 18.494 4.894 207 HG LEU 32 HG LEU 32 7.377 17.773 2.647 208 HD11 LEU 32 1HD1 LEU 32 7.816 20.674 2.369 209 HD12 LEU 32 2HD1 LEU 32 6.288 20.057 1.743 210 HD13 LEU 32 3HD1 LEU 32 7.812 19.400 1.149 211 HD21 LEU 32 3HD2 LEU 32 9.217 18.217 3.837 212 HD22 LEU 32 1HD2 LEU 32 8.108 18.795 5.082 213 HD23 LEU 32 2HD2 LEU 32 8.839 19.936 3.953 214 H GLY 33 H GLY 33 5.982 17.427 1.123 215 HA2 GLY 33 1HA GLY 33 5.126 19.429 -0.551 216 HA3 GLY 33 2HA GLY 33 5.538 17.811 -1.101 217 H ARG 34 H ARG 34 3.518 19.612 -2.152 218 HA ARG 34 HA ARG 34 0.940 18.749 -1.313 219 HB2 ARG 34 1HB ARG 34 1.462 20.903 -2.517 220 HB3 ARG 34 2HB ARG 34 1.675 19.954 -3.982 221 HG2 ARG 34 1HG ARG 34 -0.863 19.636 -2.476 222 HG3 ARG 34 2HG ARG 34 -0.615 21.123 -3.395 223 HD2 ARG 34 1HD ARG 34 -0.092 19.725 -5.388 224 HD3 ARG 34 2HD ARG 34 -0.522 18.298 -4.445 225 HE ARG 34 HE ARG 34 -2.323 20.221 -5.610 226 HH11 ARG 34 1HH1 ARG 34 -1.911 17.766 -3.176 227 HH12 ARG 34 2HH1 ARG 34 -3.605 17.430 -3.042 228 HH21 ARG 34 1HH2 ARG 34 -4.556 19.787 -5.443 229 HH22 ARG 34 2HH2 ARG 34 -5.109 18.579 -4.333 230 H VAL 35 H VAL 35 0.937 16.493 -1.332 231 HA VAL 35 HA VAL 35 1.460 15.099 -3.832 232 HB VAL 35 HB VAL 35 2.277 14.023 -1.840 233 HG11 VAL 35 1HG1 VAL 35 1.209 14.052 0.108 234 HG12 VAL 35 2HG1 VAL 35 -0.054 15.016 -0.660 235 HG13 VAL 35 3HG1 VAL 35 -0.201 13.259 -0.593 236 HG21 VAL 35 3HG2 VAL 35 -0.153 12.477 -2.718 237 HG22 VAL 35 1HG2 VAL 35 1.295 12.650 -3.709 238 HG23 VAL 35 2HG2 VAL 35 1.388 11.841 -2.144 239 H LEU 36 H LEU 36 -0.080 14.898 -5.306 240 HA LEU 36 HA LEU 36 -2.767 15.568 -4.942 241 HB2 LEU 36 1HB LEU 36 -1.600 13.731 -7.027 242 HB3 LEU 36 2HB LEU 36 -3.154 14.558 -7.118 243 HG LEU 36 HG LEU 36 -0.537 16.036 -6.969 244 HD11 LEU 36 1HD1 LEU 36 -1.739 16.058 -9.575 245 HD12 LEU 36 2HD1 LEU 36 -1.377 14.404 -9.083 246 HD13 LEU 36 3HD1 LEU 36 -0.098 15.618 -9.101 247 HD21 LEU 36 3HD2 LEU 36 -1.922 17.761 -6.733 248 HD22 LEU 36 1HD2 LEU 36 -3.337 16.758 -7.057 249 HD23 LEU 36 2HD2 LEU 36 -2.437 17.472 -8.396 250 H HIS 37 H HIS 37 -1.568 12.287 -5.663 251 HA HIS 37 HA HIS 37 -3.460 11.216 -3.696 252 HB2 HIS 37 1HB HIS 37 -4.119 9.435 -5.310 253 HB3 HIS 37 2HB HIS 37 -4.638 11.045 -5.799 254 HD1 HIS 37 1HD HIS 37 -2.629 8.167 -6.892 255 HD2 HIS 37 2HD HIS 37 -3.117 12.147 -7.981 256 HE1 HIS 37 1HE HIS 37 -1.598 8.370 -9.176 257 HE2 HIS 37 2HE HIS 37 -1.829 10.805 -9.779 258 H TYR 38 H TYR 38 -3.082 8.717 -3.548 259 HA TYR 38 HA TYR 38 -0.169 8.265 -3.522 260 HB2 TYR 38 1HB TYR 38 -2.284 7.418 -1.543 261 HB3 TYR 38 2HB TYR 38 -0.671 6.714 -1.572 262 HD1 TYR 38 2HD TYR 38 1.312 8.397 -1.411 263 HD2 TYR 38 1HD TYR 38 -2.682 9.316 -0.266 264 HE1 TYR 38 2HE TYR 38 2.144 10.235 -0.005 265 HE2 TYR 38 1HE TYR 38 -1.860 11.157 1.143 266 HH TYR 38 HH TYR 38 0.055 12.584 1.376 267 H TRP 39 H TRP 39 0.068 7.113 -5.382 268 HA TRP 39 HA TRP 39 -1.726 5.111 -6.272 269 HB2 TRP 39 1HB TRP 39 -0.046 6.379 -7.684 270 HB3 TRP 39 2HB TRP 39 1.195 5.330 -7.005 271 HD1 TRP 39 HD TRP 39 1.748 3.343 -8.502 272 HE1 TRP 39 1HE TRP 39 0.498 1.948 -10.267 273 HE3 TRP 39 3HE TRP 39 -2.824 5.617 -8.248 274 HZ2 TRP 39 2HZ TRP 39 -2.083 1.827 -11.402 275 HZ3 TRP 39 3HZ TRP 39 -4.630 4.802 -9.707 276 HH2 TRP 39 HH TRP 39 -4.265 2.946 -11.251 277 H LEU 40 H LEU 40 -2.089 3.241 -5.288 278 HA LEU 40 HA LEU 40 0.112 1.956 -3.822 279 HB2 LEU 40 1HB LEU 40 -2.265 2.578 -2.840 280 HB3 LEU 40 2HB LEU 40 -2.705 1.037 -3.574 281 HG LEU 40 HG LEU 40 -0.336 1.103 -1.777 282 HD11 LEU 40 1HD1 LEU 40 -1.662 2.241 -0.289 283 HD12 LEU 40 2HD1 LEU 40 -2.100 0.573 0.077 284 HD13 LEU 40 3HD1 LEU 40 -3.158 1.561 -0.931 285 HD21 LEU 40 3HD2 LEU 40 -0.731 -0.992 -2.717 286 HD22 LEU 40 1HD2 LEU 40 -2.480 -0.844 -2.552 287 HD23 LEU 40 2HD2 LEU 40 -1.479 -1.106 -1.123 288 H THR 41 H THR 41 0.814 -0.043 -4.351 289 HA THR 41 HA THR 41 -0.656 -1.542 -6.407 290 HB THR 41 HB THR 41 1.665 -2.176 -7.336 291 HG1 THR 41 1HG THR 41 2.256 -0.013 -5.646 292 HG21 THR 41 3HG2 THR 41 0.952 -0.919 -9.029 293 HG22 THR 41 1HG2 THR 41 1.497 0.535 -8.195 294 HG23 THR 41 2HG2 THR 41 -0.139 -0.070 -7.934 295 H TYR 42 H TYR 42 -1.346 -3.072 -4.932 296 HA TYR 42 HA TYR 42 0.630 -4.452 -3.296 297 HB2 TYR 42 1HB TYR 42 -1.227 -5.499 -2.197 298 HB3 TYR 42 2HB TYR 42 -1.612 -3.792 -2.380 299 HD1 TYR 42 2HD TYR 42 -2.286 -7.166 -3.746 300 HD2 TYR 42 1HD TYR 42 -3.518 -3.097 -3.600 301 HE1 TYR 42 2HE TYR 42 -4.392 -7.770 -4.864 302 HE2 TYR 42 1HE TYR 42 -5.628 -3.689 -4.716 303 HH TYR 42 HH TYR 42 -6.161 -6.210 -6.423 304 H ALA 43 H ALA 43 1.152 -6.612 -3.491 305 HA ALA 43 HA ALA 43 -0.096 -8.329 -5.411 306 HB1 ALA 43 3HB ALA 43 1.072 -7.636 -7.189 307 HB2 ALA 43 1HB ALA 43 2.246 -6.769 -6.198 308 HB3 ALA 43 2HB ALA 43 2.423 -8.505 -6.460 309 HA PRO 44 HA PRO 44 1.654 -11.449 -2.870 310 HB2 PRO 44 1HB PRO 44 2.044 -13.473 -4.637 311 HB3 PRO 44 2HB PRO 44 0.441 -12.977 -4.084 312 HG2 PRO 44 1HG PRO 44 1.866 -12.287 -6.625 313 HG3 PRO 44 2HG PRO 44 0.169 -12.740 -6.381 314 HD2 PRO 44 1HD PRO 44 0.959 -10.170 -6.701 315 HD3 PRO 44 2HD PRO 44 -0.428 -10.623 -5.690 316 H ALA 45 H ALA 45 3.641 -10.650 -2.207 317 HA ALA 45 HA ALA 45 5.934 -10.132 -3.489 318 HB1 ALA 45 3HB ALA 45 6.996 -11.450 -1.387 319 HB2 ALA 45 1HB ALA 45 6.296 -9.834 -1.287 320 HB3 ALA 45 2HB ALA 45 5.335 -11.241 -0.830 321 H SER 46 H SER 46 4.939 -13.408 -2.519 322 HA SER 46 HA SER 46 7.036 -14.938 -3.239 323 HB2 SER 46 1HB SER 46 4.138 -15.497 -3.914 324 HB3 SER 46 2HB SER 46 5.423 -16.704 -3.915 325 HG SER 46 HG SER 46 5.732 -15.866 -1.627 326 H GLY 47 H GLY 47 4.586 -13.723 -5.521 327 HA2 GLY 47 1HA GLY 47 5.059 -12.956 -7.703 328 HA3 GLY 47 2HA GLY 47 6.607 -13.786 -7.634 329 H LEU 48 H LEU 48 3.260 -14.899 -7.141 330 HA LEU 48 HA LEU 48 3.703 -16.851 -9.303 331 HB2 LEU 48 1HB LEU 48 1.909 -18.156 -7.853 332 HB3 LEU 48 2HB LEU 48 3.642 -18.302 -7.568 333 HG LEU 48 HG LEU 48 3.242 -16.391 -5.841 334 HD11 LEU 48 1HD1 LEU 48 1.111 -16.143 -4.962 335 HD12 LEU 48 2HD1 LEU 48 0.520 -17.628 -5.706 336 HD13 LEU 48 3HD1 LEU 48 0.816 -16.201 -6.700 337 HD21 LEU 48 3HD2 LEU 48 2.937 -18.019 -4.117 338 HD22 LEU 48 1HD2 LEU 48 3.918 -18.750 -5.387 339 HD23 LEU 48 2HD2 LEU 48 2.208 -19.160 -5.249 340 H GLY 49 H GLY 49 2.240 -14.114 -8.854 341 HA2 GLY 49 1HA GLY 49 -0.007 -14.825 -10.560 342 HA3 GLY 49 2HA GLY 49 -0.425 -14.126 -9.002 343 HA PRO 50 HA PRO 50 0.322 -10.788 -12.241 344 HB2 PRO 50 1HB PRO 50 -2.193 -9.767 -12.221 345 HB3 PRO 50 2HB PRO 50 -1.695 -11.073 -13.303 346 HG2 PRO 50 1HG PRO 50 -3.186 -11.225 -10.711 347 HG3 PRO 50 2HG PRO 50 -3.483 -12.098 -12.225 348 HD2 PRO 50 1HD PRO 50 -2.203 -13.223 -10.122 349 HD3 PRO 50 2HD PRO 50 -1.827 -13.645 -11.805 350 H GLU 51 H GLU 51 -0.244 -8.389 -11.913 351 HA GLU 51 HA GLU 51 0.131 -7.775 -9.069 352 HB2 GLU 51 1HB GLU 51 1.725 -7.024 -11.023 353 HB3 GLU 51 2HB GLU 51 0.525 -5.758 -11.242 354 HG2 GLU 51 1HG GLU 51 1.029 -4.739 -9.265 355 HG3 GLU 51 2HG GLU 51 1.589 -6.230 -8.511 356 H LYS 52 H LYS 52 -0.763 -5.570 -8.411 357 HA LYS 52 HA LYS 52 -3.291 -4.910 -9.710 358 HB2 LYS 52 1HB LYS 52 -3.073 -5.696 -6.799 359 HB3 LYS 52 2HB LYS 52 -4.497 -4.978 -7.539 360 HG2 LYS 52 1HG LYS 52 -3.292 -7.569 -8.471 361 HG3 LYS 52 2HG LYS 52 -4.556 -7.470 -7.242 362 HD2 LYS 52 1HD LYS 52 -6.131 -6.654 -8.758 363 HD3 LYS 52 2HD LYS 52 -4.896 -6.154 -9.916 364 HE2 LYS 52 1HE LYS 52 -4.349 -8.583 -10.229 365 HE3 LYS 52 2HE LYS 52 -5.766 -8.961 -9.251 366 HZ1 LYS 52 3HZ LYS 52 -6.980 -7.472 -10.948 367 HZ2 LYS 52 1HZ LYS 52 -6.580 -9.056 -11.389 368 HZ3 LYS 52 2HZ LYS 52 -5.639 -7.762 -11.937 369 H SER 53 H SER 53 -4.335 -2.991 -8.469 370 HA SER 53 HA SER 53 -2.572 -1.268 -7.018 371 HB2 SER 53 1HB SER 53 -2.619 0.562 -8.770 372 HB3 SER 53 2HB SER 53 -1.582 -0.814 -9.147 373 HG SER 53 HG SER 53 -2.723 -0.531 -10.967 374 H VAL 54 H VAL 54 -3.666 0.352 -5.982 375 HA VAL 54 HA VAL 54 -6.464 0.827 -6.725 376 HB VAL 54 HB VAL 54 -7.197 0.681 -4.407 377 HG11 VAL 54 1HG1 VAL 54 -7.001 -1.757 -4.103 378 HG12 VAL 54 2HG1 VAL 54 -7.392 -1.315 -5.766 379 HG13 VAL 54 3HG1 VAL 54 -5.748 -1.793 -5.343 380 HG21 VAL 54 3HG2 VAL 54 -5.139 1.300 -3.286 381 HG22 VAL 54 1HG2 VAL 54 -5.706 -0.258 -2.682 382 HG23 VAL 54 2HG2 VAL 54 -4.366 -0.190 -3.827 383 H SER 55 H SER 55 -7.030 2.913 -6.653 384 HA SER 55 HA SER 55 -5.074 4.898 -6.060 385 HB2 SER 55 1HB SER 55 -6.949 5.025 -7.805 386 HB3 SER 55 2HB SER 55 -8.016 5.427 -6.460 387 HG SER 55 HG SER 55 -7.254 7.374 -6.516 388 H VAL 56 H VAL 56 -5.147 6.525 -4.465 389 HA VAL 56 HA VAL 56 -6.989 6.125 -2.227 390 HB VAL 56 HB VAL 56 -3.983 6.169 -1.940 391 HG11 VAL 56 1HG1 VAL 56 -5.839 7.283 -0.210 392 HG12 VAL 56 2HG1 VAL 56 -5.496 5.697 0.484 393 HG13 VAL 56 3HG1 VAL 56 -4.180 6.831 0.178 394 HG21 VAL 56 3HG2 VAL 56 -4.115 3.964 -1.204 395 HG22 VAL 56 1HG2 VAL 56 -5.848 4.072 -0.891 396 HG23 VAL 56 2HG2 VAL 56 -5.254 4.009 -2.551 397 HA PRO 57 HA PRO 57 -7.059 10.544 -2.545 398 HB2 PRO 57 1HB PRO 57 -8.546 11.009 -0.322 399 HB3 PRO 57 2HB PRO 57 -9.237 10.397 -1.829 400 HG2 PRO 57 1HG PRO 57 -8.461 8.899 0.644 401 HG3 PRO 57 2HG PRO 57 -9.908 8.719 -0.364 402 HD2 PRO 57 1HD PRO 57 -7.789 7.042 -0.543 403 HD3 PRO 57 2HD PRO 57 -8.804 7.451 -1.941 404 H GLY 58 H GLY 58 -5.338 11.751 -2.062 405 HA2 GLY 58 1HA GLY 58 -3.415 11.357 -0.183 406 HA3 GLY 58 2HA GLY 58 -3.850 12.955 -0.771 407 H ALA 59 H ALA 59 -6.516 12.940 0.331 408 HA ALA 59 HA ALA 59 -6.225 14.239 2.686 409 HB1 ALA 59 3HB ALA 59 -8.429 14.364 2.488 410 HB2 ALA 59 1HB ALA 59 -8.388 13.096 1.262 411 HB3 ALA 59 2HB ALA 59 -8.582 12.672 2.964 412 H ARG 60 H ARG 60 -6.518 10.732 2.292 413 HA ARG 60 HA ARG 60 -5.886 10.408 5.147 414 HB2 ARG 60 1HB ARG 60 -6.781 8.130 4.925 415 HB3 ARG 60 2HB ARG 60 -7.971 9.341 4.466 416 HG2 ARG 60 1HG ARG 60 -7.009 8.881 2.057 417 HG3 ARG 60 2HG ARG 60 -6.550 7.343 2.792 418 HD2 ARG 60 1HD ARG 60 -8.706 7.077 1.789 419 HD3 ARG 60 2HD ARG 60 -8.910 7.074 3.541 420 HE ARG 60 HE ARG 60 -9.305 9.673 2.824 421 HH11 ARG 60 1HH1 ARG 60 -10.695 6.629 1.864 422 HH12 ARG 60 2HH1 ARG 60 -12.247 7.305 1.495 423 HH21 ARG 60 1HH2 ARG 60 -11.344 10.575 2.342 424 HH22 ARG 60 2HH2 ARG 60 -12.615 9.550 1.767 425 H SER 61 H SER 61 -4.194 9.105 5.798 426 HA SER 61 HA SER 61 -2.222 8.511 3.706 427 HB2 SER 61 1HB SER 61 -0.608 8.398 5.643 428 HB3 SER 61 2HB SER 61 -1.346 9.980 5.390 429 HG SER 61 HG SER 61 -2.194 8.037 7.281 430 H HIS 62 H HIS 62 -4.555 6.817 4.458 431 HA HIS 62 HA HIS 62 -3.087 4.324 4.680 432 HB2 HIS 62 1HB HIS 62 -4.627 3.482 6.477 433 HB3 HIS 62 2HB HIS 62 -3.501 4.728 7.008 434 HD1 HIS 62 1HD HIS 62 -4.556 7.182 7.270 435 HD2 HIS 62 2HD HIS 62 -7.265 4.054 6.903 436 HE1 HIS 62 1HE HIS 62 -6.757 8.102 8.065 437 HE2 HIS 62 2HE HIS 62 -8.362 6.167 7.914 438 H VAL 63 H VAL 63 -4.494 2.429 4.269 439 HA VAL 63 HA VAL 63 -7.114 2.841 3.184 440 HB VAL 63 HB VAL 63 -5.561 3.639 1.340 441 HG11 VAL 63 1HG1 VAL 63 -3.841 2.355 0.772 442 HG12 VAL 63 2HG1 VAL 63 -4.400 1.074 1.848 443 HG13 VAL 63 3HG1 VAL 63 -4.975 1.141 0.182 444 HG21 VAL 63 3HG2 VAL 63 -7.832 3.076 0.835 445 HG22 VAL 63 1HG2 VAL 63 -6.807 2.382 -0.421 446 HG23 VAL 63 2HG2 VAL 63 -7.463 1.351 0.851 447 H THR 64 H THR 64 -8.145 0.863 2.553 448 HA THR 64 HA THR 64 -6.827 -1.504 3.706 449 HB THR 64 HB THR 64 -9.794 -1.139 3.281 450 HG1 THR 64 1HG THR 64 -9.914 -0.329 5.296 451 HG21 THR 64 3HG2 THR 64 -8.085 -3.293 4.243 452 HG22 THR 64 1HG2 THR 64 -9.774 -3.332 3.738 453 HG23 THR 64 2HG2 THR 64 -9.356 -2.868 5.388 454 H LEU 65 H LEU 65 -6.745 -3.412 2.582 455 HA LEU 65 HA LEU 65 -7.577 -3.276 -0.240 456 HB2 LEU 65 1HB LEU 65 -5.347 -4.856 1.030 457 HB3 LEU 65 2HB LEU 65 -5.800 -4.929 -0.671 458 HG LEU 65 HG LEU 65 -4.849 -2.405 0.668 459 HD11 LEU 65 1HD1 LEU 65 -3.271 -4.528 -0.770 460 HD12 LEU 65 2HD1 LEU 65 -3.050 -3.953 0.882 461 HD13 LEU 65 3HD1 LEU 65 -2.681 -2.892 -0.477 462 HD21 LEU 65 3HD2 LEU 65 -4.211 -2.158 -1.914 463 HD22 LEU 65 1HD2 LEU 65 -5.774 -1.662 -1.263 464 HD23 LEU 65 2HD2 LEU 65 -5.611 -3.220 -2.073 465 HA PRO 66 HA PRO 66 -10.334 -6.491 1.444 466 HB2 PRO 66 1HB PRO 66 -12.237 -6.141 -0.461 467 HB3 PRO 66 2HB PRO 66 -12.122 -5.124 0.981 468 HG2 PRO 66 1HG PRO 66 -11.156 -4.583 -1.800 469 HG3 PRO 66 2HG PRO 66 -11.991 -3.497 -0.674 470 HD2 PRO 66 1HD PRO 66 -9.312 -3.414 -1.063 471 HD3 PRO 66 2HD PRO 66 -10.063 -3.026 0.498 472 H ASP 67 H ASP 67 -11.373 -8.383 0.316 473 HA ASP 67 HA ASP 67 -11.199 -10.261 -0.956 474 HB2 ASP 67 1HB ASP 67 -9.888 -8.620 -3.111 475 HB3 ASP 67 2HB ASP 67 -10.941 -10.022 -3.282 476 H LEU 68 H LEU 68 -9.327 -10.237 0.869 477 HA LEU 68 HA LEU 68 -6.852 -11.004 -0.535 478 HB2 LEU 68 1HB LEU 68 -7.270 -9.597 2.075 479 HB3 LEU 68 2HB LEU 68 -5.797 -10.517 1.775 480 HG LEU 68 HG LEU 68 -6.755 -8.165 0.143 481 HD11 LEU 68 1HD1 LEU 68 -6.026 -7.538 2.400 482 HD12 LEU 68 2HD1 LEU 68 -4.918 -6.952 1.160 483 HD13 LEU 68 3HD1 LEU 68 -4.492 -8.365 2.126 484 HD21 LEU 68 3HD2 LEU 68 -5.009 -10.243 -0.541 485 HD22 LEU 68 1HD2 LEU 68 -3.983 -8.865 -0.141 486 HD23 LEU 68 2HD2 LEU 68 -5.231 -8.706 -1.377 487 H GLN 69 H GLN 69 -5.614 -12.728 0.463 488 HA GLN 69 HA GLN 69 -7.377 -14.759 1.590 489 HB2 GLN 69 1HB GLN 69 -4.643 -14.842 0.336 490 HB3 GLN 69 2HB GLN 69 -5.297 -16.224 1.205 491 HG2 GLN 69 1HG GLN 69 -7.334 -15.926 -0.372 492 HG3 GLN 69 2HG GLN 69 -6.204 -15.003 -1.362 493 HE21 GLN 69 1HE2 GLN 69 -7.587 -17.683 -1.630 494 HE22 GLN 69 2HE2 GLN 69 -6.314 -18.770 -2.055 495 H ALA 70 H ALA 70 -5.922 -16.353 3.076 496 HA ALA 70 HA ALA 70 -4.948 -14.646 5.270 497 HB1 ALA 70 3HB ALA 70 -5.538 -16.645 6.717 498 HB2 ALA 70 1HB ALA 70 -6.888 -15.752 6.016 499 HB3 ALA 70 2HB ALA 70 -6.383 -17.286 5.308 500 H ALA 71 H ALA 71 -3.078 -15.215 6.377 501 HA ALA 71 HA ALA 71 -0.968 -16.026 6.637 502 HB1 ALA 71 3HB ALA 71 -1.138 -18.583 5.400 503 HB2 ALA 71 1HB ALA 71 -1.093 -18.186 7.118 504 HB3 ALA 71 2HB ALA 71 -2.639 -18.281 6.275 505 H THR 72 H THR 72 -1.363 -14.436 4.410 506 HA THR 72 HA THR 72 0.666 -15.525 2.600 507 HB THR 72 HB THR 72 -1.850 -14.177 1.600 508 HG1 THR 72 1HG THR 72 -2.240 -16.328 2.310 509 HG21 THR 72 3HG2 THR 72 0.472 -14.027 0.372 510 HG22 THR 72 1HG2 THR 72 -1.007 -14.344 -0.535 511 HG23 THR 72 2HG2 THR 72 0.075 -15.674 -0.120 512 H LYS 73 H LYS 73 2.036 -14.012 1.707 513 HA LYS 73 HA LYS 73 2.075 -11.436 3.028 514 HB2 LYS 73 1HB LYS 73 3.976 -13.037 1.394 515 HB3 LYS 73 2HB LYS 73 4.188 -11.291 1.394 516 HG2 LYS 73 1HG LYS 73 5.580 -12.070 3.100 517 HG3 LYS 73 2HG LYS 73 4.154 -11.447 3.933 518 HD2 LYS 73 1HD LYS 73 3.454 -13.523 4.575 519 HD3 LYS 73 2HD LYS 73 4.164 -14.317 3.167 520 HE2 LYS 73 1HE LYS 73 6.000 -13.076 5.146 521 HE3 LYS 73 2HE LYS 73 5.190 -14.575 5.599 522 HZ1 LYS 73 3HZ LYS 73 6.705 -14.270 3.071 523 HZ2 LYS 73 1HZ LYS 73 6.157 -15.702 3.786 524 HZ3 LYS 73 2HZ LYS 73 7.414 -14.827 4.503 525 H TYR 74 H TYR 74 2.598 -9.462 1.711 526 HA TYR 74 HA TYR 74 1.612 -9.423 -1.005 527 HB2 TYR 74 1HB TYR 74 0.141 -7.970 1.201 528 HB3 TYR 74 2HB TYR 74 -0.113 -7.689 -0.517 529 HD1 TYR 74 2HD TYR 74 -0.219 -10.398 2.041 530 HD2 TYR 74 1HD TYR 74 -1.710 -8.932 -1.664 531 HE1 TYR 74 2HE TYR 74 -1.877 -12.214 1.996 532 HE2 TYR 74 1HE TYR 74 -3.373 -10.744 -1.719 533 HH TYR 74 HH TYR 74 -3.226 -13.435 0.326 534 H ARG 75 H ARG 75 3.321 -8.409 -1.860 535 HA ARG 75 HA ARG 75 4.861 -6.444 -0.531 536 HB2 ARG 75 1HB ARG 75 5.371 -7.987 -2.624 537 HB3 ARG 75 2HB ARG 75 4.807 -6.577 -3.511 538 HG2 ARG 75 1HG ARG 75 6.496 -5.213 -2.305 539 HG3 ARG 75 2HG ARG 75 7.112 -6.700 -1.581 540 HD2 ARG 75 1HD ARG 75 6.827 -6.585 -4.538 541 HD3 ARG 75 2HD ARG 75 8.152 -5.690 -3.794 542 HE ARG 75 HE ARG 75 7.907 -8.545 -4.038 543 HH11 ARG 75 1HH1 ARG 75 9.372 -5.932 -2.265 544 HH12 ARG 75 2HH1 ARG 75 10.708 -6.885 -1.708 545 HH21 ARG 75 1HH2 ARG 75 9.661 -9.811 -3.312 546 HH22 ARG 75 2HH2 ARG 75 10.871 -9.091 -2.305 547 H VAL 76 H VAL 76 3.493 -4.812 0.199 548 HA VAL 76 HA VAL 76 1.808 -3.369 -1.649 549 HB VAL 76 HB VAL 76 2.469 -2.956 1.262 550 HG11 VAL 76 1HG1 VAL 76 0.430 -1.291 0.956 551 HG12 VAL 76 2HG1 VAL 76 2.102 -0.766 0.744 552 HG13 VAL 76 3HG1 VAL 76 1.111 -1.151 -0.665 553 HG21 VAL 76 3HG2 VAL 76 0.335 -4.269 -0.262 554 HG22 VAL 76 1HG2 VAL 76 0.887 -4.545 1.390 555 HG23 VAL 76 2HG2 VAL 76 -0.231 -3.226 1.042 556 H LEU 77 H LEU 77 2.793 -2.113 -3.106 557 HA LEU 77 HA LEU 77 5.111 -0.516 -2.276 558 HB2 LEU 77 1HB LEU 77 4.153 -1.623 -4.854 559 HB3 LEU 77 2HB LEU 77 5.011 -0.085 -4.906 560 HG LEU 77 HG LEU 77 6.758 -1.477 -3.445 561 HD11 LEU 77 1HD1 LEU 77 5.475 -3.552 -5.215 562 HD12 LEU 77 2HD1 LEU 77 5.374 -3.506 -3.456 563 HD13 LEU 77 3HD1 LEU 77 6.932 -3.757 -4.242 564 HD21 LEU 77 3HD2 LEU 77 7.941 -1.963 -5.575 565 HD22 LEU 77 1HD2 LEU 77 7.327 -0.313 -5.465 566 HD23 LEU 77 2HD2 LEU 77 6.477 -1.506 -6.446 567 H VAL 78 H VAL 78 4.482 1.381 -1.454 568 HA VAL 78 HA VAL 78 2.282 2.835 -2.747 569 HB VAL 78 HB VAL 78 3.599 3.425 -0.094 570 HG11 VAL 78 1HG1 VAL 78 1.812 4.940 0.296 571 HG12 VAL 78 2HG1 VAL 78 2.452 5.309 -1.307 572 HG13 VAL 78 3HG1 VAL 78 0.951 4.397 -1.143 573 HG21 VAL 78 3HG2 VAL 78 1.359 1.629 -0.851 574 HG22 VAL 78 1HG2 VAL 78 2.560 1.465 0.431 575 HG23 VAL 78 2HG2 VAL 78 1.197 2.567 0.634 576 H SER 79 H SER 79 2.556 4.824 -3.644 577 HA SER 79 HA SER 79 5.160 6.136 -3.423 578 HB2 SER 79 1HB SER 79 3.855 5.478 -6.076 579 HB3 SER 79 2HB SER 79 5.330 6.419 -5.857 580 HG SER 79 HG SER 79 5.350 3.951 -4.637 581 H ALA 80 H ALA 80 4.980 8.276 -3.223 582 HA ALA 80 HA ALA 80 2.360 9.479 -3.283 583 HB1 ALA 80 3HB ALA 80 3.226 10.939 -1.841 584 HB2 ALA 80 1HB ALA 80 4.678 9.939 -1.848 585 HB3 ALA 80 2HB ALA 80 4.561 11.333 -2.923 586 H ILE 81 H ILE 81 1.483 10.558 -4.922 587 HA ILE 81 HA ILE 81 3.140 11.148 -7.260 588 HB ILE 81 HB ILE 81 0.151 11.003 -6.897 589 HG12 ILE 81 1HG1 ILE 81 0.263 9.092 -8.316 590 HG13 ILE 81 2HG1 ILE 81 1.930 9.435 -8.765 591 HG21 ILE 81 1HG2 ILE 81 0.668 11.223 -9.613 592 HG22 ILE 81 2HG2 ILE 81 -0.048 12.453 -8.572 593 HG23 ILE 81 3HG2 ILE 81 1.690 12.454 -8.870 594 HD11 ILE 81 3HD1 ILE 81 1.481 7.538 -7.115 595 HD12 ILE 81 1HD1 ILE 81 2.756 8.692 -6.724 596 HD13 ILE 81 2HD1 ILE 81 1.183 8.814 -5.936 597 H TYR 82 H TYR 82 3.654 13.157 -7.863 598 HA TYR 82 HA TYR 82 2.268 15.399 -6.547 599 HB2 TYR 82 1HB TYR 82 5.204 15.244 -7.259 600 HB3 TYR 82 2HB TYR 82 4.393 16.624 -6.526 601 HD1 TYR 82 1HD TYR 82 3.423 16.366 -4.209 602 HD2 TYR 82 2HD TYR 82 6.017 13.470 -5.936 603 HE1 TYR 82 1HE TYR 82 3.883 15.453 -1.972 604 HE2 TYR 82 2HE TYR 82 6.484 12.549 -3.704 605 HH TYR 82 HH TYR 82 5.233 12.503 -1.433 606 H ALA 83 H ALA 83 2.507 17.482 -7.752 607 HA ALA 83 HA ALA 83 1.422 17.371 -10.268 608 HB1 ALA 83 3HB ALA 83 2.845 19.732 -10.334 609 HB2 ALA 83 1HB ALA 83 1.227 19.508 -9.669 610 HB3 ALA 83 2HB ALA 83 2.635 19.425 -8.610 611 H ALA 84 H ALA 84 4.863 17.849 -9.476 612 HA ALA 84 HA ALA 84 5.721 17.836 -12.187 613 HB1 ALA 84 3HB ALA 84 7.176 18.928 -10.738 614 HB2 ALA 84 1HB ALA 84 7.130 17.623 -9.552 615 HB3 ALA 84 2HB ALA 84 8.003 17.406 -11.070 616 H GLY 85 H GLY 85 5.878 15.390 -9.597 617 HA2 GLY 85 1HA GLY 85 5.369 13.227 -11.336 618 HA3 GLY 85 2HA GLY 85 7.103 13.366 -11.087 619 H ARG 86 H ARG 86 5.863 11.083 -10.314 620 HA ARG 86 HA ARG 86 5.237 11.258 -7.484 621 HB2 ARG 86 1HB ARG 86 4.843 8.821 -7.666 622 HB3 ARG 86 2HB ARG 86 3.904 9.749 -8.827 623 HG2 ARG 86 1HG ARG 86 5.129 8.996 -10.626 624 HG3 ARG 86 2HG ARG 86 6.539 8.612 -9.637 625 HD2 ARG 86 1HD ARG 86 4.959 6.862 -8.540 626 HD3 ARG 86 2HD ARG 86 4.003 7.070 -10.006 627 HE ARG 86 HE ARG 86 6.546 5.739 -9.761 628 HH11 ARG 86 1HH1 ARG 86 4.316 7.320 -11.917 629 HH12 ARG 86 2HH1 ARG 86 4.922 6.529 -13.334 630 HH21 ARG 86 1HH2 ARG 86 7.353 4.691 -11.620 631 HH22 ARG 86 2HH2 ARG 86 6.649 5.033 -13.164 632 H SER 87 H SER 87 6.447 10.361 -5.830 633 HA SER 87 HA SER 87 9.282 10.278 -6.284 634 HB2 SER 87 1HB SER 87 9.439 9.939 -3.850 635 HB3 SER 87 2HB SER 87 8.365 11.283 -4.239 636 HG SER 87 HG SER 87 7.186 8.780 -4.017 637 H GLU 88 H GLU 88 10.513 8.448 -5.040 638 HA GLU 88 HA GLU 88 10.315 6.109 -6.477 639 HB2 GLU 88 1HB GLU 88 11.892 5.174 -5.002 640 HB3 GLU 88 2HB GLU 88 12.213 6.902 -4.965 641 HG2 GLU 88 1HG GLU 88 10.778 6.996 -2.891 642 HG3 GLU 88 2HG GLU 88 10.824 5.234 -2.891 643 H ALA 89 H ALA 89 9.983 3.871 -5.396 644 HA ALA 89 HA ALA 89 7.373 3.922 -4.028 645 HB1 ALA 89 3HB ALA 89 8.485 1.859 -5.926 646 HB2 ALA 89 1HB ALA 89 6.948 1.729 -5.071 647 HB3 ALA 89 2HB ALA 89 7.191 3.010 -6.259 648 H VAL 90 H VAL 90 7.156 2.886 -2.133 649 HA VAL 90 HA VAL 90 9.500 1.428 -1.114 650 HB VAL 90 HB VAL 90 8.407 1.826 1.148 651 HG11 VAL 90 1HG1 VAL 90 10.307 3.159 -0.016 652 HG12 VAL 90 2HG1 VAL 90 9.088 4.426 -0.163 653 HG13 VAL 90 3HG1 VAL 90 9.545 3.819 1.430 654 HG21 VAL 90 3HG2 VAL 90 6.202 2.480 -0.110 655 HG22 VAL 90 1HG2 VAL 90 6.641 3.275 1.402 656 HG23 VAL 90 2HG2 VAL 90 6.938 4.082 -0.137 657 H SER 91 H SER 91 9.352 -0.696 -0.871 658 HA SER 91 HA SER 91 6.754 -1.988 -1.119 659 HB2 SER 91 1HB SER 91 7.907 -3.951 -1.669 660 HB3 SER 91 2HB SER 91 8.935 -2.688 -2.345 661 HG SER 91 HG SER 91 10.397 -3.722 -1.211 662 H ALA 92 H ALA 92 6.096 -3.688 0.338 663 HA ALA 92 HA ALA 92 7.372 -4.022 2.875 664 HB1 ALA 92 3HB ALA 92 5.592 -1.835 2.629 665 HB2 ALA 92 1HB ALA 92 4.802 -3.059 3.623 666 HB3 ALA 92 2HB ALA 92 6.390 -2.441 4.080 667 H THR 93 H THR 93 6.966 -6.042 3.465 668 HA THR 93 HA THR 93 4.733 -7.468 2.260 669 HB THR 93 HB THR 93 5.808 -9.453 3.495 670 HG1 THR 93 1HG THR 93 8.108 -7.814 3.547 671 HG21 THR 93 3HG2 THR 93 6.733 -9.911 1.514 672 HG22 THR 93 1HG2 THR 93 7.905 -8.605 1.686 673 HG23 THR 93 2HG2 THR 93 6.305 -8.272 1.024 674 H GLY 94 H GLY 94 2.850 -7.703 3.263 675 HA2 GLY 94 1HA GLY 94 2.832 -7.648 6.219 676 HA3 GLY 94 2HA GLY 94 1.596 -6.852 5.254 677 H GLN 95 H GLN 95 2.809 -9.894 6.434 678 HA GLN 95 HA GLN 95 1.190 -11.674 5.034 679 HB2 GLN 95 1HB GLN 95 3.016 -12.435 6.443 680 HB3 GLN 95 2HB GLN 95 2.197 -11.834 7.879 681 HG2 GLN 95 1HG GLN 95 0.519 -13.489 7.731 682 HG3 GLN 95 2HG GLN 95 1.022 -13.952 6.106 683 HE21 GLN 95 1HE2 GLN 95 0.728 -15.626 8.438 684 HE22 GLN 95 2HE2 GLN 95 2.274 -16.336 8.737 685 H THR 96 H THR 96 -0.931 -11.957 4.966 686 HA THR 96 HA THR 96 -2.748 -10.406 6.438 687 HB THR 96 HB THR 96 -4.489 -11.998 5.567 688 HG1 THR 96 1HG THR 96 -3.510 -13.464 3.889 689 HG21 THR 96 3HG2 THR 96 -2.630 -10.363 4.016 690 HG22 THR 96 1HG2 THR 96 -4.392 -10.414 3.981 691 HG23 THR 96 2HG2 THR 96 -3.458 -11.586 3.052 692 H ALA 97 H ALA 97 -4.692 -11.652 7.561 693 HA ALA 97 HA ALA 97 -3.588 -12.759 9.965 694 HB1 ALA 97 3HB ALA 97 -5.522 -11.256 10.010 695 HB2 ALA 97 1HB ALA 97 -6.473 -12.460 9.138 696 HB3 ALA 97 2HB ALA 97 -5.885 -12.809 10.764 697 H CYS 98 H CYS 98 -3.530 -14.835 10.634 698 HA CYS 98 HA CYS 98 -3.932 -16.901 8.685 699 HB2 CYS 98 1HB CYS 98 -2.957 -16.838 11.525 700 HB3 CYS 98 2HB CYS 98 -3.316 -18.372 10.740 701 HG CYS 98 HG CYS 98 -1.109 -18.582 9.439 702 HA PRO 99 HA PRO 99 -8.004 -18.195 9.686 703 HB2 PRO 99 1HB PRO 99 -7.827 -20.863 9.216 704 HB3 PRO 99 2HB PRO 99 -7.838 -19.659 7.923 705 HG2 PRO 99 1HG PRO 99 -5.517 -21.089 9.158 706 HG3 PRO 99 2HG PRO 99 -5.837 -20.744 7.448 707 HD2 PRO 99 1HD PRO 99 -4.121 -19.270 8.936 708 HD3 PRO 99 2HD PRO 99 -5.081 -18.573 7.616 709 H SER 100 H SER 100 -5.425 -20.213 11.074 710 HA SER 100 HA SER 100 -6.864 -20.216 13.620 711 HB2 SER 100 1HB SER 100 -7.296 -22.349 12.176 712 HB3 SER 100 2HB SER 100 -5.657 -22.791 12.654 713 HG SER 100 HG SER 100 -6.595 -22.187 14.881 714 H GLY 101 H GLY 101 -5.558 -20.135 15.388 715 HA2 GLY 101 1HA GLY 101 -2.770 -20.859 15.248 716 HA3 GLY 101 2HA GLY 101 -3.040 -19.124 15.316 717 HA PRO 102 HA PRO 102 -3.552 -21.415 19.549 718 HB2 PRO 102 1HB PRO 102 -0.985 -21.762 20.363 719 HB3 PRO 102 2HB PRO 102 -1.890 -23.001 19.484 720 HG2 PRO 102 1HG PRO 102 0.123 -21.039 18.455 721 HG3 PRO 102 2HG PRO 102 -0.058 -22.761 18.073 722 HD2 PRO 102 1HD PRO 102 -0.959 -20.804 16.434 723 HD3 PRO 102 2HD PRO 102 -1.766 -22.379 16.574 724 H SER 103 H SER 103 -1.967 -18.769 18.188 725 HA SER 103 HA SER 103 -2.051 -17.350 20.760 726 HB2 SER 103 1HB SER 103 0.115 -16.975 18.680 727 HB3 SER 103 2HB SER 103 0.005 -16.170 20.245 728 HG SER 103 HG SER 103 1.009 -17.815 21.051 729 H SER 104 H SER 104 -3.340 -15.643 20.670 730 HA SER 104 HA SER 104 -4.684 -14.812 18.372 731 HB2 SER 104 1HB SER 104 -5.400 -14.406 20.753 732 HB3 SER 104 2HB SER 104 -4.201 -13.115 20.829 733 HG SER 104 HG SER 104 -5.798 -11.958 20.082 734 H GLY 105 H GLY 105 -3.685 -14.034 16.621 735 HA2 GLY 105 1HA GLY 105 -1.289 -12.448 16.800 736 HA3 GLY 105 2HA GLY 105 -2.153 -12.873 15.330 Start of MODEL 15 1 H1 GLY 1 H GLY 1 14.016 16.505 -20.159 2 HA2 GLY 1 1HA GLY 1 11.958 16.099 -18.318 3 HA3 GLY 1 2HA GLY 1 13.403 15.351 -17.652 4 H SER 2 H SER 2 11.761 18.301 -18.318 5 HA SER 2 HA SER 2 13.961 20.059 -17.869 6 HB2 SER 2 1HB SER 2 10.972 20.516 -17.785 7 HB3 SER 2 2HB SER 2 12.167 21.802 -17.622 8 HG SER 2 HG SER 2 11.936 21.827 -19.731 9 H SER 3 H SER 3 11.137 19.205 -15.865 10 HA SER 3 HA SER 3 12.572 20.205 -13.511 11 HB2 SER 3 1HB SER 3 9.662 19.642 -14.059 12 HB3 SER 3 2HB SER 3 10.265 19.876 -12.419 13 HG SER 3 HG SER 3 10.246 21.706 -14.571 14 H GLY 4 H GLY 4 13.472 18.841 -12.117 15 HA2 GLY 4 1HA GLY 4 12.375 16.127 -11.865 16 HA3 GLY 4 2HA GLY 4 14.082 16.318 -12.235 17 H SER 5 H SER 5 12.657 15.153 -9.885 18 HA SER 5 HA SER 5 12.815 15.099 -7.613 19 HB2 SER 5 1HB SER 5 15.402 16.550 -8.220 20 HB3 SER 5 2HB SER 5 15.003 15.805 -6.673 21 HG SER 5 HG SER 5 16.201 14.346 -7.858 22 H SER 6 H SER 6 11.197 17.145 -8.553 23 HA SER 6 HA SER 6 11.870 19.527 -7.009 24 HB2 SER 6 1HB SER 6 9.910 20.536 -8.098 25 HB3 SER 6 2HB SER 6 11.000 19.829 -9.290 26 HG SER 6 HG SER 6 9.419 18.603 -9.898 27 H GLY 7 H GLY 7 11.641 18.707 -4.898 28 HA2 GLY 7 1HA GLY 7 10.517 18.219 -2.956 29 HA3 GLY 7 2HA GLY 7 9.176 19.096 -3.677 30 H ARG 8 H ARG 8 10.770 15.916 -3.809 31 HA ARG 8 HA ARG 8 8.100 14.691 -3.871 32 HB2 ARG 8 1HB ARG 8 10.465 13.877 -5.571 33 HB3 ARG 8 2HB ARG 8 8.956 12.983 -5.449 34 HG2 ARG 8 1HG ARG 8 7.821 15.117 -6.257 35 HG3 ARG 8 2HG ARG 8 9.441 15.667 -6.690 36 HD2 ARG 8 1HD ARG 8 8.189 13.097 -7.647 37 HD3 ARG 8 2HD ARG 8 8.211 14.602 -8.566 38 HE ARG 8 HE ARG 8 10.835 13.922 -7.808 39 HH11 ARG 8 1HH1 ARG 8 8.295 12.907 -9.960 40 HH12 ARG 8 2HH1 ARG 8 9.379 12.235 -11.134 41 HH21 ARG 8 1HH2 ARG 8 12.273 13.042 -9.345 42 HH22 ARG 8 2HH2 ARG 8 11.641 12.312 -10.782 43 H SER 9 H SER 9 7.964 13.726 -1.946 44 HA SER 9 HA SER 9 10.229 12.047 -1.084 45 HB2 SER 9 1HB SER 9 9.724 14.162 0.299 46 HB3 SER 9 2HB SER 9 8.276 13.309 0.834 47 HG SER 9 HG SER 9 10.715 13.082 1.792 48 HA PRO 10 HA PRO 10 7.197 8.816 -1.485 49 HB2 PRO 10 1HB PRO 10 8.806 6.809 -0.614 50 HB3 PRO 10 2HB PRO 10 8.928 7.504 -2.235 51 HG2 PRO 10 1HG PRO 10 10.582 8.067 0.196 52 HG3 PRO 10 2HG PRO 10 11.102 7.842 -1.485 53 HD2 PRO 10 1HD PRO 10 10.850 10.289 -0.352 54 HD3 PRO 10 2HD PRO 10 10.546 9.999 -2.077 55 HA PRO 11 HA PRO 11 5.524 8.302 2.554 56 HB2 PRO 11 1HB PRO 11 4.274 5.907 2.286 57 HB3 PRO 11 2HB PRO 11 3.676 7.391 1.537 58 HG2 PRO 11 1HG PRO 11 5.275 5.169 0.325 59 HG3 PRO 11 2HG PRO 11 3.886 6.043 -0.346 60 HD2 PRO 11 1HD PRO 11 6.438 6.597 -1.059 61 HD3 PRO 11 2HD PRO 11 5.172 7.840 -1.000 62 H SER 12 H SER 12 6.510 7.768 4.390 63 HA SER 12 HA SER 12 8.071 5.269 4.475 64 HB2 SER 12 1HB SER 12 8.575 7.784 6.082 65 HB3 SER 12 2HB SER 12 9.582 6.337 6.046 66 HG SER 12 HG SER 12 9.789 8.428 4.499 67 H ASN 13 H ASN 13 8.478 4.687 6.934 68 HA ASN 13 HA ASN 13 7.595 3.839 8.850 69 HB2 ASN 13 1HB ASN 13 5.919 6.320 8.522 70 HB3 ASN 13 2HB ASN 13 5.665 5.213 9.869 71 HD21 ASN 13 1HD2 ASN 13 7.340 7.880 8.792 72 HD22 ASN 13 2HD2 ASN 13 8.568 7.933 10.006 73 H LEU 14 H LEU 14 6.693 2.819 6.332 74 HA LEU 14 HA LEU 14 3.944 2.454 6.121 75 HB2 LEU 14 1HB LEU 14 6.344 0.975 5.204 76 HB3 LEU 14 2HB LEU 14 4.802 0.124 5.149 77 HG LEU 14 HG LEU 14 5.263 2.789 3.823 78 HD11 LEU 14 1HD1 LEU 14 5.942 0.048 2.944 79 HD12 LEU 14 2HD1 LEU 14 6.676 1.594 2.519 80 HD13 LEU 14 3HD1 LEU 14 5.162 1.100 1.762 81 HD21 LEU 14 3HD2 LEU 14 3.300 1.235 2.546 82 HD22 LEU 14 1HD2 LEU 14 3.072 2.706 3.492 83 HD23 LEU 14 2HD2 LEU 14 2.974 1.130 4.277 84 H ALA 15 H ALA 15 2.486 1.330 7.239 85 HA ALA 15 HA ALA 15 3.419 -0.796 9.045 86 HB1 ALA 15 3HB ALA 15 2.536 1.675 9.915 87 HB2 ALA 15 1HB ALA 15 1.125 0.632 10.099 88 HB3 ALA 15 2HB ALA 15 2.647 0.204 10.880 89 H LEU 16 H LEU 16 2.603 -2.578 8.125 90 HA LEU 16 HA LEU 16 -0.066 -2.526 6.950 91 HB2 LEU 16 1HB LEU 16 2.286 -4.331 6.804 92 HB3 LEU 16 2HB LEU 16 0.693 -5.041 6.549 93 HG LEU 16 HG LEU 16 0.317 -3.438 4.702 94 HD11 LEU 16 1HD1 LEU 16 2.159 -2.136 3.830 95 HD12 LEU 16 2HD1 LEU 16 3.214 -2.717 5.117 96 HD13 LEU 16 3HD1 LEU 16 1.841 -1.680 5.504 97 HD21 LEU 16 3HD2 LEU 16 0.977 -5.442 3.832 98 HD22 LEU 16 1HD2 LEU 16 2.510 -5.443 4.703 99 HD23 LEU 16 2HD2 LEU 16 2.309 -4.429 3.275 100 H ALA 17 H ALA 17 -1.763 -2.988 8.169 101 HA ALA 17 HA ALA 17 -1.413 -4.836 10.437 102 HB1 ALA 17 3HB ALA 17 -3.283 -3.707 11.514 103 HB2 ALA 17 1HB ALA 17 -2.001 -2.561 11.118 104 HB3 ALA 17 2HB ALA 17 -3.454 -2.639 10.121 105 H SER 18 H SER 18 -2.595 -6.651 10.502 106 HA SER 18 HA SER 18 -4.626 -7.024 8.402 107 HB2 SER 18 1HB SER 18 -2.742 -8.546 8.159 108 HB3 SER 18 2HB SER 18 -2.913 -9.071 9.834 109 HG SER 18 HG SER 18 -5.056 -9.316 8.022 110 H GLU 19 H GLU 19 -6.637 -6.903 9.126 111 HA GLU 19 HA GLU 19 -7.206 -7.746 11.886 112 HB2 GLU 19 1HB GLU 19 -9.112 -6.156 10.202 113 HB3 GLU 19 2HB GLU 19 -8.975 -6.225 11.954 114 HG2 GLU 19 1HG GLU 19 -6.604 -5.171 11.442 115 HG3 GLU 19 2HG GLU 19 -7.439 -4.626 9.989 116 H THR 20 H THR 20 -8.074 -8.214 8.533 117 HA THR 20 HA THR 20 -9.543 -10.628 9.289 118 HB THR 20 HB THR 20 -11.365 -9.137 9.027 119 HG1 THR 20 1HG THR 20 -11.499 -10.008 6.422 120 HG21 THR 20 3HG2 THR 20 -11.641 -7.599 7.203 121 HG22 THR 20 1HG2 THR 20 -10.206 -8.227 6.393 122 HG23 THR 20 2HG2 THR 20 -10.046 -7.335 7.906 123 HA PRO 21 HA PRO 21 -7.278 -12.383 5.948 124 HB2 PRO 21 1HB PRO 21 -8.855 -14.529 5.423 125 HB3 PRO 21 2HB PRO 21 -7.817 -14.426 6.850 126 HG2 PRO 21 1HG PRO 21 -10.755 -13.907 6.603 127 HG3 PRO 21 2HG PRO 21 -9.876 -14.781 7.871 128 HD2 PRO 21 1HD PRO 21 -10.713 -12.225 8.178 129 HD3 PRO 21 2HD PRO 21 -9.233 -12.842 8.938 130 H ASP 22 H ASP 22 -9.954 -10.620 5.540 131 HA ASP 22 HA ASP 22 -10.272 -11.326 2.699 132 HB2 ASP 22 1HB ASP 22 -12.213 -9.516 4.052 133 HB3 ASP 22 2HB ASP 22 -12.483 -10.708 2.783 134 H SER 23 H SER 23 -9.167 -8.947 4.889 135 HA SER 23 HA SER 23 -8.396 -7.232 2.675 136 HB2 SER 23 1HB SER 23 -9.230 -5.222 4.149 137 HB3 SER 23 2HB SER 23 -10.357 -6.058 3.081 138 HG SER 23 HG SER 23 -10.411 -5.825 5.764 139 H LEU 24 H LEU 24 -6.824 -5.589 3.314 140 HA LEU 24 HA LEU 24 -5.502 -6.128 5.879 141 HB2 LEU 24 1HB LEU 24 -4.396 -7.402 4.054 142 HB3 LEU 24 2HB LEU 24 -4.059 -5.873 3.246 143 HG LEU 24 HG LEU 24 -2.850 -5.311 5.513 144 HD11 LEU 24 1HD1 LEU 24 -2.523 -6.969 6.950 145 HD12 LEU 24 2HD1 LEU 24 -1.930 -8.032 5.674 146 HD13 LEU 24 3HD1 LEU 24 -3.659 -7.936 6.009 147 HD21 LEU 24 3HD2 LEU 24 -1.244 -7.230 3.981 148 HD22 LEU 24 1HD2 LEU 24 -0.958 -5.524 4.325 149 HD23 LEU 24 2HD2 LEU 24 -2.039 -5.988 3.011 150 H GLN 25 H GLN 25 -5.294 -4.299 6.970 151 HA GLN 25 HA GLN 25 -5.618 -1.749 5.681 152 HB2 GLN 25 1HB GLN 25 -6.308 -2.595 8.112 153 HB3 GLN 25 2HB GLN 25 -4.727 -1.941 8.514 154 HG2 GLN 25 1HG GLN 25 -5.373 0.199 8.196 155 HG3 GLN 25 2HG GLN 25 -6.490 -0.215 6.897 156 HE21 GLN 25 1HE2 GLN 25 -8.346 -1.697 7.769 157 HE22 GLN 25 2HE2 GLN 25 -9.133 -1.095 9.185 158 H VAL 26 H VAL 26 -4.110 -0.122 5.453 159 HA VAL 26 HA VAL 26 -1.366 -0.585 6.306 160 HB VAL 26 HB VAL 26 -1.334 -1.660 4.154 161 HG11 VAL 26 1HG1 VAL 26 -2.909 -1.050 2.693 162 HG12 VAL 26 2HG1 VAL 26 -3.089 0.546 3.424 163 HG13 VAL 26 3HG1 VAL 26 -1.816 0.256 2.237 164 HG21 VAL 26 3HG2 VAL 26 0.074 0.872 4.603 165 HG22 VAL 26 1HG2 VAL 26 0.703 -0.718 4.172 166 HG23 VAL 26 2HG2 VAL 26 0.046 0.339 2.923 167 H SER 27 H SER 27 -0.484 1.255 6.989 168 HA SER 27 HA SER 27 -1.574 3.796 5.972 169 HB2 SER 27 1HB SER 27 -2.166 3.034 8.417 170 HB3 SER 27 2HB SER 27 -0.528 3.581 8.773 171 HG SER 27 HG SER 27 -1.078 5.616 8.274 172 H TRP 28 H TRP 28 -0.020 5.664 6.687 173 HA TRP 28 HA TRP 28 2.756 5.048 6.881 174 HB2 TRP 28 1HB TRP 28 3.383 6.031 4.654 175 HB3 TRP 28 2HB TRP 28 2.585 4.464 4.562 176 HD1 TRP 28 HD TRP 28 1.948 8.185 3.854 177 HE1 TRP 28 1HE TRP 28 -0.041 8.375 2.231 178 HE3 TRP 28 3HE TRP 28 0.521 3.277 3.739 179 HZ2 TRP 28 2HZ TRP 28 -1.960 6.670 1.058 180 HZ3 TRP 28 3HZ TRP 28 -1.401 2.640 2.342 181 HH2 TRP 28 HH TRP 28 -2.615 4.303 1.030 182 H THR 29 H THR 29 4.091 7.122 6.445 183 HA THR 29 HA THR 29 2.676 9.311 7.770 184 HB THR 29 HB THR 29 5.625 8.817 7.333 185 HG1 THR 29 1HG THR 29 5.622 8.320 9.473 186 HG21 THR 29 3HG2 THR 29 5.051 10.883 9.240 187 HG22 THR 29 1HG2 THR 29 4.331 11.292 7.684 188 HG23 THR 29 2HG2 THR 29 6.058 10.953 7.794 189 HA PRO 30 HA PRO 30 2.414 11.315 3.776 190 HB2 PRO 30 1HB PRO 30 1.029 13.472 4.671 191 HB3 PRO 30 2HB PRO 30 0.274 11.902 4.371 192 HG2 PRO 30 1HG PRO 30 1.181 13.104 6.958 193 HG3 PRO 30 2HG PRO 30 -0.310 12.213 6.600 194 HD2 PRO 30 1HD PRO 30 1.816 11.065 7.823 195 HD3 PRO 30 2HD PRO 30 0.732 10.162 6.745 196 HA PRO 31 HA PRO 31 5.950 13.977 4.243 197 HB2 PRO 31 1HB PRO 31 6.038 14.825 1.666 198 HB3 PRO 31 2HB PRO 31 6.590 13.223 2.170 199 HG2 PRO 31 1HG PRO 31 3.987 14.025 0.929 200 HG3 PRO 31 2HG PRO 31 5.012 12.623 0.571 201 HD2 PRO 31 1HD PRO 31 2.796 12.450 2.117 202 HD3 PRO 31 2HD PRO 31 4.223 11.427 2.376 203 H LEU 32 H LEU 32 6.334 16.285 2.852 204 HA LEU 32 HA LEU 32 4.234 18.011 3.953 205 HB2 LEU 32 1HB LEU 32 5.899 19.807 3.787 206 HB3 LEU 32 2HB LEU 32 6.452 18.460 4.780 207 HG LEU 32 HG LEU 32 7.584 17.737 2.485 208 HD11 LEU 32 1HD1 LEU 32 6.493 20.017 1.609 209 HD12 LEU 32 2HD1 LEU 32 8.010 19.372 0.984 210 HD13 LEU 32 3HD1 LEU 32 8.030 20.644 2.206 211 HD21 LEU 32 3HD2 LEU 32 9.126 19.877 3.741 212 HD22 LEU 32 1HD2 LEU 32 9.483 18.156 3.589 213 HD23 LEU 32 2HD2 LEU 32 8.435 18.728 4.888 214 H GLY 33 H GLY 33 6.066 17.372 1.001 215 HA2 GLY 33 1HA GLY 33 5.197 19.437 -0.614 216 HA3 GLY 33 2HA GLY 33 5.567 17.821 -1.196 217 H ARG 34 H ARG 34 3.656 19.283 -2.468 218 HA ARG 34 HA ARG 34 1.045 18.574 -1.442 219 HB2 ARG 34 1HB ARG 34 1.127 20.677 -2.524 220 HB3 ARG 34 2HB ARG 34 1.996 20.021 -3.905 221 HG2 ARG 34 1HG ARG 34 -0.201 20.398 -4.644 222 HG3 ARG 34 2HG ARG 34 -0.073 18.656 -4.395 223 HD2 ARG 34 1HD ARG 34 -2.170 19.439 -3.501 224 HD3 ARG 34 2HD ARG 34 -1.123 18.932 -2.176 225 HE ARG 34 HE ARG 34 -1.023 21.752 -2.797 226 HH11 ARG 34 1HH1 ARG 34 -2.527 19.246 -0.905 227 HH12 ARG 34 2HH1 ARG 34 -3.073 20.328 0.334 228 HH21 ARG 34 1HH2 ARG 34 -1.735 23.186 -1.173 229 HH22 ARG 34 2HH2 ARG 34 -2.622 22.569 0.180 230 H VAL 35 H VAL 35 0.803 16.382 -1.487 231 HA VAL 35 HA VAL 35 1.368 14.939 -3.965 232 HB VAL 35 HB VAL 35 2.181 13.793 -2.057 233 HG11 VAL 35 1HG1 VAL 35 -0.166 14.883 -0.797 234 HG12 VAL 35 2HG1 VAL 35 -0.030 13.154 -0.471 235 HG13 VAL 35 3HG1 VAL 35 1.302 14.238 -0.064 236 HG21 VAL 35 3HG2 VAL 35 -0.369 12.300 -2.416 237 HG22 VAL 35 1HG2 VAL 35 0.656 12.572 -3.826 238 HG23 VAL 35 2HG2 VAL 35 1.294 11.713 -2.424 239 H LEU 36 H LEU 36 -0.171 14.582 -5.412 240 HA LEU 36 HA LEU 36 -2.866 15.342 -5.009 241 HB2 LEU 36 1HB LEU 36 -1.718 13.584 -7.171 242 HB3 LEU 36 2HB LEU 36 -3.269 14.418 -7.217 243 HG LEU 36 HG LEU 36 -0.649 15.886 -7.035 244 HD11 LEU 36 1HD1 LEU 36 -1.051 14.310 -9.099 245 HD12 LEU 36 2HD1 LEU 36 -0.415 15.941 -9.310 246 HD13 LEU 36 3HD1 LEU 36 -2.123 15.616 -9.606 247 HD21 LEU 36 3HD2 LEU 36 -3.139 16.794 -6.592 248 HD22 LEU 36 1HD2 LEU 36 -3.042 17.014 -8.339 249 HD23 LEU 36 2HD2 LEU 36 -1.852 17.780 -7.287 250 H HIS 37 H HIS 37 -1.580 12.098 -5.760 251 HA HIS 37 HA HIS 37 -3.513 10.955 -3.877 252 HB2 HIS 37 1HB HIS 37 -3.935 9.125 -5.614 253 HB3 HIS 37 2HB HIS 37 -4.700 10.685 -5.900 254 HD1 HIS 37 1HD HIS 37 -2.694 8.188 -7.537 255 HD2 HIS 37 2HD HIS 37 -3.114 12.311 -7.823 256 HE1 HIS 37 1HE HIS 37 -1.724 8.809 -9.773 257 HE2 HIS 37 2HE HIS 37 -1.911 11.318 -9.887 258 H TYR 38 H TYR 38 -3.058 8.598 -3.480 259 HA TYR 38 HA TYR 38 -0.147 8.153 -3.499 260 HB2 TYR 38 1HB TYR 38 -2.266 7.341 -1.512 261 HB3 TYR 38 2HB TYR 38 -0.653 6.636 -1.514 262 HD1 TYR 38 2HD TYR 38 1.188 8.735 -1.866 263 HD2 TYR 38 1HD TYR 38 -2.532 8.860 0.195 264 HE1 TYR 38 2HE TYR 38 2.013 10.610 -0.504 265 HE2 TYR 38 1HE TYR 38 -1.718 10.735 1.562 266 HH TYR 38 HH TYR 38 1.248 12.378 0.849 267 H TRP 39 H TRP 39 -0.039 7.051 -5.450 268 HA TRP 39 HA TRP 39 -1.742 4.967 -6.245 269 HB2 TRP 39 1HB TRP 39 -0.024 6.271 -7.643 270 HB3 TRP 39 2HB TRP 39 1.166 5.134 -7.015 271 HD1 TRP 39 HD TRP 39 1.661 3.398 -8.818 272 HE1 TRP 39 1HE TRP 39 0.278 2.039 -10.510 273 HE3 TRP 39 3HE TRP 39 -2.959 5.361 -7.851 274 HZ2 TRP 39 2HZ TRP 39 -2.416 1.827 -11.326 275 HZ3 TRP 39 3HZ TRP 39 -4.887 4.526 -9.131 276 HH2 TRP 39 HH TRP 39 -4.619 2.796 -10.833 277 H LEU 40 H LEU 40 -2.112 3.358 -4.807 278 HA LEU 40 HA LEU 40 0.180 2.010 -3.576 279 HB2 LEU 40 1HB LEU 40 -2.038 2.811 -2.390 280 HB3 LEU 40 2HB LEU 40 -2.638 1.262 -2.978 281 HG LEU 40 HG LEU 40 -0.093 1.316 -1.426 282 HD11 LEU 40 1HD1 LEU 40 -0.994 2.020 0.472 283 HD12 LEU 40 2HD1 LEU 40 -2.324 0.874 0.314 284 HD13 LEU 40 3HD1 LEU 40 -2.446 2.471 -0.422 285 HD21 LEU 40 3HD2 LEU 40 -2.118 -0.608 -2.281 286 HD22 LEU 40 1HD2 LEU 40 -1.652 -0.772 -0.588 287 HD23 LEU 40 2HD2 LEU 40 -0.424 -0.855 -1.852 288 H THR 41 H THR 41 0.792 0.002 -4.120 289 HA THR 41 HA THR 41 -0.978 -1.592 -5.843 290 HB THR 41 HB THR 41 1.176 -2.343 -7.040 291 HG1 THR 41 1HG THR 41 2.945 -1.274 -6.586 292 HG21 THR 41 3HG2 THR 41 0.460 -1.079 -8.742 293 HG22 THR 41 1HG2 THR 41 0.828 0.419 -7.888 294 HG23 THR 41 2HG2 THR 41 -0.708 -0.401 -7.607 295 H TYR 42 H TYR 42 -1.403 -3.403 -4.775 296 HA TYR 42 HA TYR 42 0.683 -4.564 -3.058 297 HB2 TYR 42 1HB TYR 42 -1.137 -5.762 -1.930 298 HB3 TYR 42 2HB TYR 42 -1.422 -4.025 -1.919 299 HD1 TYR 42 1HD TYR 42 -3.008 -3.080 -3.703 300 HD2 TYR 42 2HD TYR 42 -2.767 -7.220 -2.752 301 HE1 TYR 42 1HE TYR 42 -5.228 -3.434 -4.703 302 HE2 TYR 42 2HE TYR 42 -4.985 -7.585 -3.750 303 HH TYR 42 HH TYR 42 -6.922 -6.456 -4.393 304 H ALA 43 H ALA 43 1.348 -6.658 -3.308 305 HA ALA 43 HA ALA 43 0.061 -8.359 -5.288 306 HB1 ALA 43 3HB ALA 43 2.681 -8.683 -6.022 307 HB2 ALA 43 1HB ALA 43 1.477 -7.741 -6.903 308 HB3 ALA 43 2HB ALA 43 2.565 -6.942 -5.768 309 HA PRO 44 HA PRO 44 1.288 -11.622 -2.623 310 HB2 PRO 44 1HB PRO 44 1.762 -13.643 -4.373 311 HB3 PRO 44 2HB PRO 44 0.137 -13.051 -4.007 312 HG2 PRO 44 1HG PRO 44 1.903 -12.421 -6.341 313 HG3 PRO 44 2HG PRO 44 0.164 -12.765 -6.315 314 HD2 PRO 44 1HD PRO 44 1.149 -10.248 -6.482 315 HD3 PRO 44 2HD PRO 44 -0.378 -10.624 -5.656 316 H ALA 45 H ALA 45 3.471 -10.054 -4.519 317 HA ALA 45 HA ALA 45 5.743 -9.914 -4.546 318 HB1 ALA 45 3HB ALA 45 5.307 -11.514 -2.051 319 HB2 ALA 45 1HB ALA 45 6.935 -11.156 -2.630 320 HB3 ALA 45 2HB ALA 45 5.833 -9.839 -2.224 321 H SER 46 H SER 46 4.505 -11.820 -6.224 322 HA SER 46 HA SER 46 6.523 -13.967 -6.277 323 HB2 SER 46 1HB SER 46 3.618 -13.936 -7.012 324 HB3 SER 46 2HB SER 46 4.704 -15.065 -7.821 325 HG SER 46 HG SER 46 3.561 -15.427 -5.531 326 H GLY 47 H GLY 47 4.591 -11.780 -8.298 327 HA2 GLY 47 1HA GLY 47 5.530 -10.527 -10.087 328 HA3 GLY 47 2HA GLY 47 6.809 -11.725 -10.218 329 H LEU 48 H LEU 48 5.101 -14.024 -10.218 330 HA LEU 48 HA LEU 48 4.435 -14.067 -13.000 331 HB2 LEU 48 1HB LEU 48 3.936 -16.368 -12.688 332 HB3 LEU 48 2HB LEU 48 5.370 -15.996 -11.734 333 HG LEU 48 HG LEU 48 3.580 -15.722 -9.806 334 HD11 LEU 48 1HD1 LEU 48 1.596 -16.775 -10.052 335 HD12 LEU 48 2HD1 LEU 48 2.243 -17.975 -11.170 336 HD13 LEU 48 3HD1 LEU 48 1.850 -16.356 -11.747 337 HD21 LEU 48 3HD2 LEU 48 3.821 -18.405 -9.698 338 HD22 LEU 48 1HD2 LEU 48 5.110 -17.284 -9.260 339 HD23 LEU 48 2HD2 LEU 48 5.089 -18.020 -10.863 340 H GLY 49 H GLY 49 2.589 -14.082 -9.979 341 HA2 GLY 49 1HA GLY 49 0.044 -14.356 -11.239 342 HA3 GLY 49 2HA GLY 49 0.332 -13.862 -9.577 343 HA PRO 50 HA PRO 50 -1.106 -10.272 -12.326 344 HB2 PRO 50 1HB PRO 50 -3.603 -10.001 -11.296 345 HB3 PRO 50 2HB PRO 50 -3.244 -11.034 -12.685 346 HG2 PRO 50 1HG PRO 50 -3.600 -11.784 -9.809 347 HG3 PRO 50 2HG PRO 50 -4.216 -12.594 -11.261 348 HD2 PRO 50 1HD PRO 50 -2.027 -13.464 -9.926 349 HD3 PRO 50 2HD PRO 50 -2.207 -13.640 -11.683 350 H GLU 51 H GLU 51 -0.626 -8.290 -11.602 351 HA GLU 51 HA GLU 51 -0.400 -7.876 -8.722 352 HB2 GLU 51 1HB GLU 51 1.483 -7.323 -10.305 353 HB3 GLU 51 2HB GLU 51 0.480 -6.027 -10.941 354 HG2 GLU 51 1HG GLU 51 0.693 -4.746 -9.062 355 HG3 GLU 51 2HG GLU 51 0.965 -6.135 -8.012 356 H LYS 52 H LYS 52 -1.796 -6.703 -7.584 357 HA LYS 52 HA LYS 52 -3.972 -5.363 -8.982 358 HB2 LYS 52 1HB LYS 52 -3.534 -5.962 -6.051 359 HB3 LYS 52 2HB LYS 52 -4.958 -5.158 -6.698 360 HG2 LYS 52 1HG LYS 52 -4.146 -7.844 -7.726 361 HG3 LYS 52 2HG LYS 52 -5.039 -7.693 -6.211 362 HD2 LYS 52 1HD LYS 52 -6.886 -6.684 -7.289 363 HD3 LYS 52 2HD LYS 52 -5.965 -6.409 -8.770 364 HE2 LYS 52 1HE LYS 52 -5.808 -8.858 -9.077 365 HE3 LYS 52 2HE LYS 52 -6.818 -9.077 -7.649 366 HZ1 LYS 52 3HZ LYS 52 -8.459 -7.579 -8.909 367 HZ2 LYS 52 1HZ LYS 52 -8.316 -9.196 -9.385 368 HZ3 LYS 52 2HZ LYS 52 -7.557 -7.980 -10.283 369 H SER 53 H SER 53 -4.758 -3.261 -7.946 370 HA SER 53 HA SER 53 -2.814 -1.563 -6.717 371 HB2 SER 53 1HB SER 53 -3.574 -0.872 -9.561 372 HB3 SER 53 2HB SER 53 -2.440 -0.014 -8.518 373 HG SER 53 HG SER 53 -1.299 -2.162 -8.507 374 H VAL 54 H VAL 54 -3.906 -0.189 -5.485 375 HA VAL 54 HA VAL 54 -6.700 0.409 -6.190 376 HB VAL 54 HB VAL 54 -7.027 0.945 -3.804 377 HG11 VAL 54 1HG1 VAL 54 -5.896 -1.719 -3.501 378 HG12 VAL 54 2HG1 VAL 54 -7.575 -1.184 -3.413 379 HG13 VAL 54 3HG1 VAL 54 -6.843 -1.541 -4.978 380 HG21 VAL 54 3HG2 VAL 54 -5.234 0.185 -2.208 381 HG22 VAL 54 1HG2 VAL 54 -4.144 0.101 -3.592 382 HG23 VAL 54 2HG2 VAL 54 -4.858 1.644 -3.125 383 H SER 55 H SER 55 -7.512 2.550 -5.689 384 HA SER 55 HA SER 55 -5.473 4.597 -6.186 385 HB2 SER 55 1HB SER 55 -7.199 5.955 -7.100 386 HB3 SER 55 2HB SER 55 -7.496 4.328 -7.713 387 HG SER 55 HG SER 55 -9.146 5.866 -6.344 388 H VAL 56 H VAL 56 -5.422 6.536 -4.995 389 HA VAL 56 HA VAL 56 -6.956 6.574 -2.493 390 HB VAL 56 HB VAL 56 -4.035 7.284 -2.503 391 HG11 VAL 56 1HG1 VAL 56 -5.510 8.097 -0.679 392 HG12 VAL 56 2HG1 VAL 56 -5.869 6.418 -0.272 393 HG13 VAL 56 3HG1 VAL 56 -4.222 7.031 -0.120 394 HG21 VAL 56 3HG2 VAL 56 -4.140 4.974 -3.220 395 HG22 VAL 56 1HG2 VAL 56 -3.583 5.054 -1.549 396 HG23 VAL 56 2HG2 VAL 56 -5.247 4.586 -1.903 397 HA PRO 57 HA PRO 57 -7.596 10.777 -3.701 398 HB2 PRO 57 1HB PRO 57 -8.637 11.669 -1.358 399 HB3 PRO 57 2HB PRO 57 -9.544 10.658 -2.489 400 HG2 PRO 57 1HG PRO 57 -8.095 9.873 0.010 401 HG3 PRO 57 2HG PRO 57 -9.686 9.349 -0.572 402 HD2 PRO 57 1HD PRO 57 -7.460 7.833 -0.854 403 HD3 PRO 57 2HD PRO 57 -8.785 7.814 -2.036 404 H GLY 58 H GLY 58 -5.245 9.686 -1.627 405 HA2 GLY 58 1HA GLY 58 -3.266 10.677 -0.970 406 HA3 GLY 58 2HA GLY 58 -3.804 12.160 -1.744 407 H ALA 59 H ALA 59 -6.091 12.758 -0.386 408 HA ALA 59 HA ALA 59 -5.300 14.182 1.787 409 HB1 ALA 59 3HB ALA 59 -7.427 14.723 1.175 410 HB2 ALA 59 1HB ALA 59 -7.915 13.041 0.965 411 HB3 ALA 59 2HB ALA 59 -7.783 13.725 2.585 412 H ARG 60 H ARG 60 -6.262 10.791 1.738 413 HA ARG 60 HA ARG 60 -5.861 10.575 4.621 414 HB2 ARG 60 1HB ARG 60 -6.753 8.323 4.397 415 HB3 ARG 60 2HB ARG 60 -7.820 9.477 3.608 416 HG2 ARG 60 1HG ARG 60 -6.751 8.864 1.438 417 HG3 ARG 60 2HG ARG 60 -5.883 7.588 2.294 418 HD2 ARG 60 1HD ARG 60 -8.884 7.864 2.229 419 HD3 ARG 60 2HD ARG 60 -7.958 6.819 1.153 420 HE ARG 60 HE ARG 60 -7.437 6.344 3.936 421 HH11 ARG 60 1HH1 ARG 60 -9.533 5.605 1.256 422 HH12 ARG 60 2HH1 ARG 60 -10.050 4.086 1.910 423 HH21 ARG 60 1HH2 ARG 60 -8.110 4.345 4.807 424 HH22 ARG 60 2HH2 ARG 60 -9.240 3.371 3.930 425 H SER 61 H SER 61 -4.310 9.263 5.573 426 HA SER 61 HA SER 61 -2.033 8.616 3.834 427 HB2 SER 61 1HB SER 61 -0.657 8.724 5.848 428 HB3 SER 61 2HB SER 61 -1.610 10.200 5.693 429 HG SER 61 HG SER 61 -3.129 9.169 7.165 430 H HIS 62 H HIS 62 -4.425 6.927 4.206 431 HA HIS 62 HA HIS 62 -3.032 4.451 4.729 432 HB2 HIS 62 1HB HIS 62 -5.095 3.803 6.263 433 HB3 HIS 62 2HB HIS 62 -3.658 4.568 6.935 434 HD1 HIS 62 1HD HIS 62 -3.861 7.165 7.454 435 HD2 HIS 62 2HD HIS 62 -7.424 5.234 6.534 436 HE1 HIS 62 1HE HIS 62 -5.685 8.722 8.212 437 HE2 HIS 62 2HE HIS 62 -7.830 7.495 7.722 438 H VAL 63 H VAL 63 -4.631 2.551 4.437 439 HA VAL 63 HA VAL 63 -7.024 2.926 2.992 440 HB VAL 63 HB VAL 63 -5.327 3.706 1.283 441 HG11 VAL 63 1HG1 VAL 63 -4.246 1.744 0.041 442 HG12 VAL 63 2HG1 VAL 63 -3.504 2.264 1.555 443 HG13 VAL 63 3HG1 VAL 63 -4.524 0.824 1.519 444 HG21 VAL 63 3HG2 VAL 63 -6.696 3.023 -0.389 445 HG22 VAL 63 1HG2 VAL 63 -6.640 1.332 0.108 446 HG23 VAL 63 2HG2 VAL 63 -7.683 2.469 0.964 447 H THR 64 H THR 64 -7.989 0.933 2.321 448 HA THR 64 HA THR 64 -6.712 -1.428 3.539 449 HB THR 64 HB THR 64 -9.680 -1.089 3.127 450 HG1 THR 64 1HG THR 64 -8.005 -0.126 5.151 451 HG21 THR 64 3HG2 THR 64 -9.341 -3.330 3.513 452 HG22 THR 64 1HG2 THR 64 -9.511 -2.745 5.167 453 HG23 THR 64 2HG2 THR 64 -7.907 -3.054 4.502 454 H LEU 65 H LEU 65 -6.525 -3.271 2.369 455 HA LEU 65 HA LEU 65 -7.351 -3.128 -0.445 456 HB2 LEU 65 1HB LEU 65 -5.358 -4.996 0.823 457 HB3 LEU 65 2HB LEU 65 -5.647 -4.762 -0.900 458 HG LEU 65 HG LEU 65 -4.646 -2.529 0.840 459 HD11 LEU 65 1HD1 LEU 65 -2.389 -3.112 0.295 460 HD12 LEU 65 2HD1 LEU 65 -2.926 -4.479 -0.681 461 HD13 LEU 65 3HD1 LEU 65 -3.151 -4.502 1.068 462 HD21 LEU 65 3HD2 LEU 65 -3.579 -2.371 -1.707 463 HD22 LEU 65 1HD2 LEU 65 -4.940 -1.440 -1.081 464 HD23 LEU 65 2HD2 LEU 65 -5.229 -2.935 -1.972 465 HA PRO 66 HA PRO 66 -10.405 -6.135 1.087 466 HB2 PRO 66 1HB PRO 66 -12.158 -5.689 -0.936 467 HB3 PRO 66 2HB PRO 66 -12.062 -4.658 0.496 468 HG2 PRO 66 1HG PRO 66 -10.893 -4.232 -2.226 469 HG3 PRO 66 2HG PRO 66 -11.718 -3.072 -1.169 470 HD2 PRO 66 1HD PRO 66 -9.022 -3.178 -1.391 471 HD3 PRO 66 2HD PRO 66 -9.838 -2.713 0.116 472 H ASP 67 H ASP 67 -11.554 -7.935 -0.140 473 HA ASP 67 HA ASP 67 -11.393 -9.867 -1.331 474 HB2 ASP 67 1HB ASP 67 -10.191 -7.953 -3.338 475 HB3 ASP 67 2HB ASP 67 -10.578 -9.633 -3.702 476 H LEU 68 H LEU 68 -9.582 -9.906 0.555 477 HA LEU 68 HA LEU 68 -7.053 -10.695 -0.734 478 HB2 LEU 68 1HB LEU 68 -7.679 -9.483 1.920 479 HB3 LEU 68 2HB LEU 68 -6.247 -10.496 1.750 480 HG LEU 68 HG LEU 68 -6.837 -7.903 0.331 481 HD11 LEU 68 1HD1 LEU 68 -6.025 -7.438 2.479 482 HD12 LEU 68 2HD1 LEU 68 -4.609 -7.338 1.433 483 HD13 LEU 68 3HD1 LEU 68 -4.871 -8.771 2.428 484 HD21 LEU 68 3HD2 LEU 68 -4.235 -8.645 -0.246 485 HD22 LEU 68 1HD2 LEU 68 -5.606 -8.679 -1.354 486 HD23 LEU 68 2HD2 LEU 68 -5.159 -10.132 -0.460 487 H GLN 69 H GLN 69 -5.855 -12.423 0.562 488 HA GLN 69 HA GLN 69 -7.780 -14.534 1.265 489 HB2 GLN 69 1HB GLN 69 -4.980 -14.683 0.149 490 HB3 GLN 69 2HB GLN 69 -5.850 -16.087 0.755 491 HG2 GLN 69 1HG GLN 69 -7.684 -15.396 -0.914 492 HG3 GLN 69 2HG GLN 69 -6.422 -14.412 -1.655 493 HE21 GLN 69 1HE2 GLN 69 -6.206 -15.528 -3.526 494 HE22 GLN 69 2HE2 GLN 69 -5.642 -17.158 -3.619 495 H ALA 70 H ALA 70 -6.348 -16.316 2.606 496 HA ALA 70 HA ALA 70 -5.371 -14.839 4.964 497 HB1 ALA 70 3HB ALA 70 -6.161 -17.530 5.585 498 HB2 ALA 70 1HB ALA 70 -6.766 -16.006 6.237 499 HB3 ALA 70 2HB ALA 70 -7.473 -16.680 4.768 500 H ALA 71 H ALA 71 -3.578 -15.638 6.083 501 HA ALA 71 HA ALA 71 -1.520 -16.582 6.312 502 HB1 ALA 71 3HB ALA 71 -3.187 -18.652 6.100 503 HB2 ALA 71 1HB ALA 71 -2.205 -18.943 4.664 504 HB3 ALA 71 2HB ALA 71 -1.441 -18.847 6.251 505 H THR 72 H THR 72 -1.612 -14.716 4.364 506 HA THR 72 HA THR 72 0.438 -15.658 2.539 507 HB THR 72 HB THR 72 -2.093 -14.393 1.470 508 HG1 THR 72 1HG THR 72 -2.610 -16.486 1.683 509 HG21 THR 72 3HG2 THR 72 -0.707 -15.353 -0.671 510 HG22 THR 72 1HG2 THR 72 0.600 -14.782 0.366 511 HG23 THR 72 2HG2 THR 72 -0.680 -13.675 -0.130 512 H LYS 73 H LYS 73 1.815 -14.054 1.857 513 HA LYS 73 HA LYS 73 1.618 -11.538 3.284 514 HB2 LYS 73 1HB LYS 73 3.744 -12.989 1.787 515 HB3 LYS 73 2HB LYS 73 3.883 -11.240 1.908 516 HG2 LYS 73 1HG LYS 73 5.114 -12.054 3.710 517 HG3 LYS 73 2HG LYS 73 3.575 -11.561 4.419 518 HD2 LYS 73 1HD LYS 73 3.903 -13.635 5.384 519 HD3 LYS 73 2HD LYS 73 2.895 -14.038 3.992 520 HE2 LYS 73 1HE LYS 73 4.708 -14.900 2.787 521 HE3 LYS 73 2HE LYS 73 5.890 -14.108 3.828 522 HZ1 LYS 73 3HZ LYS 73 5.519 -15.640 5.531 523 HZ2 LYS 73 1HZ LYS 73 5.553 -16.588 4.130 524 HZ3 LYS 73 2HZ LYS 73 4.074 -16.204 4.854 525 H TYR 74 H TYR 74 2.212 -9.498 2.092 526 HA TYR 74 HA TYR 74 1.430 -9.412 -0.701 527 HB2 TYR 74 1HB TYR 74 -0.132 -7.960 1.443 528 HB3 TYR 74 2HB TYR 74 -0.287 -7.653 -0.283 529 HD1 TYR 74 2HD TYR 74 -0.579 -10.394 2.227 530 HD2 TYR 74 1HD TYR 74 -1.846 -8.848 -1.529 531 HE1 TYR 74 2HE TYR 74 -2.265 -12.177 2.068 532 HE2 TYR 74 1HE TYR 74 -3.536 -10.626 -1.697 533 HH TYR 74 HH TYR 74 -3.680 -13.251 0.628 534 H ARG 75 H ARG 75 3.071 -8.317 -1.548 535 HA ARG 75 HA ARG 75 4.625 -6.434 -0.078 536 HB2 ARG 75 1HB ARG 75 5.198 -7.947 -2.184 537 HB3 ARG 75 2HB ARG 75 4.707 -6.502 -3.057 538 HG2 ARG 75 1HG ARG 75 6.360 -5.311 -1.419 539 HG3 ARG 75 2HG ARG 75 7.041 -6.931 -1.259 540 HD2 ARG 75 1HD ARG 75 6.518 -5.738 -3.958 541 HD3 ARG 75 2HD ARG 75 7.989 -5.348 -3.067 542 HE ARG 75 HE ARG 75 7.958 -8.043 -3.017 543 HH11 ARG 75 1HH1 ARG 75 7.622 -5.718 -5.585 544 HH12 ARG 75 2HH1 ARG 75 8.320 -6.751 -6.788 545 HH21 ARG 75 1HH2 ARG 75 8.878 -9.413 -4.591 546 HH22 ARG 75 2HH2 ARG 75 9.033 -8.853 -6.222 547 H VAL 76 H VAL 76 3.390 -4.723 0.607 548 HA VAL 76 HA VAL 76 1.656 -3.286 -1.180 549 HB VAL 76 HB VAL 76 2.613 -2.577 1.597 550 HG11 VAL 76 1HG1 VAL 76 1.095 -0.818 1.641 551 HG12 VAL 76 2HG1 VAL 76 1.781 -0.708 0.019 552 HG13 VAL 76 3HG1 VAL 76 0.191 -1.433 0.258 553 HG21 VAL 76 3HG2 VAL 76 0.479 -3.396 2.362 554 HG22 VAL 76 1HG2 VAL 76 -0.028 -3.727 0.706 555 HG23 VAL 76 2HG2 VAL 76 1.279 -4.662 1.431 556 H LEU 77 H LEU 77 2.519 -2.098 -2.758 557 HA LEU 77 HA LEU 77 4.941 -0.532 -2.188 558 HB2 LEU 77 1HB LEU 77 3.838 -1.815 -4.622 559 HB3 LEU 77 2HB LEU 77 4.715 -0.301 -4.834 560 HG LEU 77 HG LEU 77 6.511 -1.613 -3.354 561 HD11 LEU 77 1HD1 LEU 77 5.925 -3.930 -4.972 562 HD12 LEU 77 2HD1 LEU 77 4.624 -3.600 -3.829 563 HD13 LEU 77 3HD1 LEU 77 6.274 -3.818 -3.247 564 HD21 LEU 77 3HD2 LEU 77 6.960 -0.600 -5.503 565 HD22 LEU 77 1HD2 LEU 77 6.103 -1.901 -6.329 566 HD23 LEU 77 2HD2 LEU 77 7.608 -2.241 -5.474 567 H VAL 78 H VAL 78 4.374 1.431 -1.478 568 HA VAL 78 HA VAL 78 2.183 2.842 -2.845 569 HB VAL 78 HB VAL 78 3.421 3.725 -0.252 570 HG11 VAL 78 1HG1 VAL 78 2.009 5.411 -0.609 571 HG12 VAL 78 2HG1 VAL 78 1.221 4.565 -1.942 572 HG13 VAL 78 3HG1 VAL 78 0.705 4.269 -0.281 573 HG21 VAL 78 3HG2 VAL 78 2.545 2.020 0.869 574 HG22 VAL 78 1HG2 VAL 78 0.952 2.381 0.204 575 HG23 VAL 78 2HG2 VAL 78 2.039 1.288 -0.653 576 H SER 79 H SER 79 2.484 4.878 -3.692 577 HA SER 79 HA SER 79 5.137 6.091 -3.516 578 HB2 SER 79 1HB SER 79 3.789 5.545 -6.171 579 HB3 SER 79 2HB SER 79 5.353 6.322 -5.924 580 HG SER 79 HG SER 79 4.633 3.625 -5.623 581 H ALA 80 H ALA 80 4.964 8.201 -3.170 582 HA ALA 80 HA ALA 80 2.411 9.499 -3.252 583 HB1 ALA 80 3HB ALA 80 4.448 9.870 -1.647 584 HB2 ALA 80 1HB ALA 80 4.947 11.022 -2.886 585 HB3 ALA 80 2HB ALA 80 3.390 11.213 -2.079 586 H ILE 81 H ILE 81 1.524 10.439 -4.960 587 HA ILE 81 HA ILE 81 3.139 10.999 -7.312 588 HB ILE 81 HB ILE 81 0.173 11.442 -7.049 589 HG12 ILE 81 1HG1 ILE 81 0.888 9.105 -6.367 590 HG13 ILE 81 2HG1 ILE 81 -0.241 9.195 -7.714 591 HG21 ILE 81 1HG2 ILE 81 0.577 10.644 -9.572 592 HG22 ILE 81 2HG2 ILE 81 0.672 12.331 -9.069 593 HG23 ILE 81 3HG2 ILE 81 2.146 11.380 -9.246 594 HD11 ILE 81 3HD1 ILE 81 2.657 8.486 -7.724 595 HD12 ILE 81 1HD1 ILE 81 1.287 7.616 -8.414 596 HD13 ILE 81 2HD1 ILE 81 1.876 9.090 -9.185 597 H TYR 82 H TYR 82 3.357 13.007 -8.277 598 HA TYR 82 HA TYR 82 2.292 15.332 -6.850 599 HB2 TYR 82 1HB TYR 82 5.199 15.083 -7.646 600 HB3 TYR 82 2HB TYR 82 4.446 16.444 -6.821 601 HD1 TYR 82 1HD TYR 82 3.543 16.085 -4.482 602 HD2 TYR 82 2HD TYR 82 6.049 13.254 -6.433 603 HE1 TYR 82 1HE TYR 82 4.073 15.065 -2.308 604 HE2 TYR 82 2HE TYR 82 6.586 12.226 -4.264 605 HH TYR 82 HH TYR 82 6.144 13.641 -1.400 606 H ALA 83 H ALA 83 2.399 17.320 -8.104 607 HA ALA 83 HA ALA 83 1.326 17.223 -10.583 608 HB1 ALA 83 3HB ALA 83 2.526 19.238 -8.969 609 HB2 ALA 83 1HB ALA 83 3.041 19.470 -10.640 610 HB3 ALA 83 2HB ALA 83 1.322 19.414 -10.245 611 H ALA 84 H ALA 84 4.816 17.544 -9.936 612 HA ALA 84 HA ALA 84 5.560 17.367 -12.677 613 HB1 ALA 84 3HB ALA 84 7.064 17.226 -10.092 614 HB2 ALA 84 1HB ALA 84 7.865 16.879 -11.624 615 HB3 ALA 84 2HB ALA 84 7.125 18.457 -11.352 616 H GLY 85 H GLY 85 5.794 15.048 -9.974 617 HA2 GLY 85 1HA GLY 85 5.156 12.834 -11.660 618 HA3 GLY 85 2HA GLY 85 6.878 12.897 -11.314 619 H ARG 86 H ARG 86 6.250 10.734 -10.375 620 HA ARG 86 HA ARG 86 5.306 11.075 -7.604 621 HB2 ARG 86 1HB ARG 86 4.648 8.691 -7.687 622 HB3 ARG 86 2HB ARG 86 3.791 9.670 -8.870 623 HG2 ARG 86 1HG ARG 86 4.813 8.673 -10.646 624 HG3 ARG 86 2HG ARG 86 6.278 8.301 -9.735 625 HD2 ARG 86 1HD ARG 86 4.628 6.731 -8.401 626 HD3 ARG 86 2HD ARG 86 3.707 6.812 -9.902 627 HE ARG 86 HE ARG 86 6.212 5.454 -9.468 628 HH11 ARG 86 1HH1 ARG 86 4.051 6.844 -11.817 629 HH12 ARG 86 2HH1 ARG 86 4.658 5.892 -13.131 630 HH21 ARG 86 1HH2 ARG 86 7.019 4.195 -11.190 631 HH22 ARG 86 2HH2 ARG 86 6.346 4.385 -12.773 632 H SER 87 H SER 87 6.593 10.431 -5.969 633 HA SER 87 HA SER 87 9.336 9.990 -6.428 634 HB2 SER 87 1HB SER 87 9.522 9.693 -4.028 635 HB3 SER 87 2HB SER 87 8.387 11.002 -4.355 636 HG SER 87 HG SER 87 7.295 8.463 -4.153 637 H GLU 88 H GLU 88 10.445 8.063 -5.195 638 HA GLU 88 HA GLU 88 10.080 5.763 -6.680 639 HB2 GLU 88 1HB GLU 88 11.600 4.689 -5.208 640 HB3 GLU 88 2HB GLU 88 12.076 6.381 -5.255 641 HG2 GLU 88 1HG GLU 88 10.843 6.734 -3.134 642 HG3 GLU 88 2HG GLU 88 10.534 5.000 -3.073 643 H ALA 89 H ALA 89 9.807 3.540 -5.299 644 HA ALA 89 HA ALA 89 7.170 3.731 -3.995 645 HB1 ALA 89 3HB ALA 89 8.165 1.652 -5.934 646 HB2 ALA 89 1HB ALA 89 6.700 1.474 -4.968 647 HB3 ALA 89 2HB ALA 89 6.823 2.776 -6.152 648 H VAL 90 H VAL 90 7.080 2.946 -1.997 649 HA VAL 90 HA VAL 90 9.350 1.405 -0.986 650 HB VAL 90 HB VAL 90 8.218 1.807 1.258 651 HG11 VAL 90 1HG1 VAL 90 9.020 4.281 -0.265 652 HG12 VAL 90 2HG1 VAL 90 9.140 4.007 1.474 653 HG13 VAL 90 3HG1 VAL 90 10.159 3.091 0.363 654 HG21 VAL 90 3HG2 VAL 90 6.659 3.869 -0.289 655 HG22 VAL 90 1HG2 VAL 90 5.989 2.321 0.223 656 HG23 VAL 90 2HG2 VAL 90 6.537 3.486 1.428 657 H SER 91 H SER 91 9.236 -0.716 -0.688 658 HA SER 91 HA SER 91 6.675 -2.064 -0.991 659 HB2 SER 91 1HB SER 91 7.895 -4.033 -1.412 660 HB3 SER 91 2HB SER 91 8.877 -2.763 -2.142 661 HG SER 91 HG SER 91 9.768 -2.858 0.250 662 H ALA 92 H ALA 92 5.951 -3.692 0.488 663 HA ALA 92 HA ALA 92 7.151 -3.871 3.104 664 HB1 ALA 92 3HB ALA 92 4.410 -3.113 3.544 665 HB2 ALA 92 1HB ALA 92 5.886 -2.438 4.234 666 HB3 ALA 92 2HB ALA 92 5.281 -1.840 2.688 667 H THR 93 H THR 93 6.658 -5.760 4.080 668 HA THR 93 HA THR 93 4.681 -7.472 2.735 669 HB THR 93 HB THR 93 5.908 -9.353 3.926 670 HG1 THR 93 1HG THR 93 8.236 -8.482 4.285 671 HG21 THR 93 3HG2 THR 93 7.936 -8.095 2.199 672 HG22 THR 93 1HG2 THR 93 6.324 -8.223 1.497 673 HG23 THR 93 2HG2 THR 93 7.154 -9.670 2.069 674 H GLY 94 H GLY 94 2.796 -7.636 3.752 675 HA2 GLY 94 1HA GLY 94 2.820 -7.747 6.704 676 HA3 GLY 94 2HA GLY 94 1.608 -6.829 5.822 677 H GLN 95 H GLN 95 2.709 -10.007 6.733 678 HA GLN 95 HA GLN 95 1.099 -11.671 5.265 679 HB2 GLN 95 1HB GLN 95 2.806 -12.356 6.974 680 HB3 GLN 95 2HB GLN 95 1.622 -11.994 8.222 681 HG2 GLN 95 1HG GLN 95 0.127 -13.686 7.310 682 HG3 GLN 95 2HG GLN 95 1.298 -14.042 6.041 683 HE21 GLN 95 1HE2 GLN 95 1.945 -16.042 6.496 684 HE22 GLN 95 2HE2 GLN 95 2.613 -16.555 8.005 685 H THR 96 H THR 96 -0.991 -12.413 5.367 686 HA THR 96 HA THR 96 -2.889 -10.633 6.641 687 HB THR 96 HB THR 96 -4.553 -12.294 5.509 688 HG1 THR 96 1HG THR 96 -3.668 -13.530 3.894 689 HG21 THR 96 3HG2 THR 96 -3.572 -11.159 3.199 690 HG22 THR 96 1HG2 THR 96 -2.948 -10.095 4.458 691 HG23 THR 96 2HG2 THR 96 -4.682 -10.389 4.332 692 H ALA 97 H ALA 97 -4.873 -11.680 7.666 693 HA ALA 97 HA ALA 97 -4.010 -13.196 9.925 694 HB1 ALA 97 3HB ALA 97 -6.265 -13.010 10.709 695 HB2 ALA 97 1HB ALA 97 -5.802 -11.468 9.988 696 HB3 ALA 97 2HB ALA 97 -6.842 -12.582 9.098 697 H CYS 98 H CYS 98 -5.147 -15.198 10.638 698 HA CYS 98 HA CYS 98 -5.679 -16.980 8.352 699 HB2 CYS 98 1HB CYS 98 -3.554 -17.614 9.237 700 HB3 CYS 98 2HB CYS 98 -4.144 -17.526 10.893 701 HG CYS 98 HG CYS 98 -5.986 -19.720 10.378 702 HA PRO 99 HA PRO 99 -9.578 -17.723 10.278 703 HB2 PRO 99 1HB PRO 99 -10.244 -19.983 8.930 704 HB3 PRO 99 2HB PRO 99 -10.300 -18.376 8.197 705 HG2 PRO 99 1HG PRO 99 -8.185 -20.483 7.980 706 HG3 PRO 99 2HG PRO 99 -8.867 -19.448 6.713 707 HD2 PRO 99 1HD PRO 99 -6.480 -18.936 7.884 708 HD3 PRO 99 2HD PRO 99 -7.554 -17.648 7.300 709 H SER 100 H SER 100 -9.291 -18.290 12.388 710 HA SER 100 HA SER 100 -7.846 -20.305 13.505 711 HB2 SER 100 1HB SER 100 -9.192 -20.103 15.453 712 HB3 SER 100 2HB SER 100 -9.237 -18.517 14.683 713 HG SER 100 HG SER 100 -11.281 -18.892 14.004 714 H GLY 101 H GLY 101 -8.501 -22.385 14.452 715 HA2 GLY 101 1HA GLY 101 -10.438 -23.788 12.714 716 HA3 GLY 101 2HA GLY 101 -8.924 -24.512 13.237 717 HA PRO 102 HA PRO 102 -12.172 -26.022 16.127 718 HB2 PRO 102 1HB PRO 102 -11.159 -28.536 16.292 719 HB3 PRO 102 2HB PRO 102 -12.263 -28.027 15.008 720 HG2 PRO 102 1HG PRO 102 -9.280 -28.281 14.953 721 HG3 PRO 102 2HG PRO 102 -10.468 -28.770 13.730 722 HD2 PRO 102 1HD PRO 102 -9.032 -26.483 13.533 723 HD3 PRO 102 2HD PRO 102 -10.685 -26.629 12.903 724 H SER 103 H SER 103 -12.015 -26.275 18.325 725 HA SER 103 HA SER 103 -9.981 -25.188 19.757 726 HB2 SER 103 1HB SER 103 -12.049 -25.672 20.858 727 HB3 SER 103 2HB SER 103 -11.876 -27.401 20.561 728 HG SER 103 HG SER 103 -10.269 -25.793 22.261 729 H SER 104 H SER 104 -10.361 -28.657 19.062 730 HA SER 104 HA SER 104 -7.572 -29.064 19.900 731 HB2 SER 104 1HB SER 104 -9.315 -30.426 21.054 732 HB3 SER 104 2HB SER 104 -9.730 -31.150 19.500 733 HG SER 104 HG SER 104 -8.011 -32.365 19.611 734 H GLY 105 H GLY 105 -6.187 -30.382 18.608 735 HA2 GLY 105 1HA GLY 105 -5.170 -30.811 16.587 736 HA3 GLY 105 2HA GLY 105 -6.701 -31.583 16.201 Start of MODEL 16 1 H1 GLY 1 H GLY 1 23.093 13.856 -14.437 2 HA2 GLY 1 1HA GLY 1 21.746 14.312 -12.464 3 HA3 GLY 1 2HA GLY 1 20.992 12.996 -13.350 4 H SER 2 H SER 2 21.668 13.927 -10.359 5 HA SER 2 HA SER 2 22.332 11.216 -9.416 6 HB2 SER 2 1HB SER 2 23.187 12.233 -7.382 7 HB3 SER 2 2HB SER 2 23.950 12.998 -8.776 8 HG SER 2 HG SER 2 22.069 14.560 -8.492 9 H SER 3 H SER 3 21.241 10.442 -7.514 10 HA SER 3 HA SER 3 18.500 10.565 -7.597 11 HB2 SER 3 1HB SER 3 20.201 10.023 -5.151 12 HB3 SER 3 2HB SER 3 18.509 9.567 -5.349 13 HG SER 3 HG SER 3 20.443 8.728 -7.215 14 H GLY 4 H GLY 4 16.896 11.710 -6.562 15 HA2 GLY 4 1HA GLY 4 16.947 13.381 -4.439 16 HA3 GLY 4 2HA GLY 4 17.623 14.378 -5.719 17 H SER 5 H SER 5 15.400 15.298 -4.582 18 HA SER 5 HA SER 5 13.503 15.210 -6.760 19 HB2 SER 5 1HB SER 5 12.763 14.246 -3.992 20 HB3 SER 5 2HB SER 5 11.573 14.735 -5.199 21 HG SER 5 HG SER 5 12.979 13.103 -6.519 22 H SER 6 H SER 6 13.120 17.277 -7.149 23 HA SER 6 HA SER 6 13.797 19.474 -5.768 24 HB2 SER 6 1HB SER 6 11.446 18.955 -7.556 25 HB3 SER 6 2HB SER 6 11.619 20.529 -6.780 26 HG SER 6 HG SER 6 13.925 20.238 -7.698 27 H GLY 7 H GLY 7 10.732 17.727 -5.327 28 HA2 GLY 7 1HA GLY 7 10.641 18.442 -2.549 29 HA3 GLY 7 2HA GLY 7 9.455 19.319 -3.505 30 H ARG 8 H ARG 8 10.586 15.976 -3.859 31 HA ARG 8 HA ARG 8 7.850 15.077 -3.236 32 HB2 ARG 8 1HB ARG 8 9.683 13.934 -5.352 33 HB3 ARG 8 2HB ARG 8 8.070 13.354 -4.958 34 HG2 ARG 8 1HG ARG 8 7.125 15.487 -5.688 35 HG3 ARG 8 2HG ARG 8 8.744 16.062 -6.088 36 HD2 ARG 8 1HD ARG 8 7.604 13.552 -7.280 37 HD3 ARG 8 2HD ARG 8 7.311 15.138 -7.992 38 HE ARG 8 HE ARG 8 9.517 15.221 -8.679 39 HH11 ARG 8 1HH1 ARG 8 8.985 12.465 -6.620 40 HH12 ARG 8 2HH1 ARG 8 10.503 11.723 -7.001 41 HH21 ARG 8 1HH2 ARG 8 11.519 14.254 -9.188 42 HH22 ARG 8 2HH2 ARG 8 11.945 12.742 -8.461 43 H SER 9 H SER 9 7.860 13.891 -1.454 44 HA SER 9 HA SER 9 10.172 12.134 -0.946 45 HB2 SER 9 1HB SER 9 9.688 14.192 0.617 46 HB3 SER 9 2HB SER 9 8.445 13.136 1.289 47 HG SER 9 HG SER 9 10.902 13.148 1.995 48 HA PRO 10 HA PRO 10 7.181 8.875 -1.208 49 HB2 PRO 10 1HB PRO 10 8.806 6.878 -0.347 50 HB3 PRO 10 2HB PRO 10 8.912 7.570 -1.970 51 HG2 PRO 10 1HG PRO 10 10.583 8.144 0.447 52 HG3 PRO 10 2HG PRO 10 11.091 7.921 -1.237 53 HD2 PRO 10 1HD PRO 10 10.836 10.367 -0.105 54 HD3 PRO 10 2HD PRO 10 10.520 10.074 -1.827 55 HA PRO 11 HA PRO 11 5.548 8.413 2.857 56 HB2 PRO 11 1HB PRO 11 4.197 6.076 2.572 57 HB3 PRO 11 2HB PRO 11 3.649 7.595 1.855 58 HG2 PRO 11 1HG PRO 11 5.136 5.330 0.584 59 HG3 PRO 11 2HG PRO 11 3.773 6.270 -0.051 60 HD2 PRO 11 1HD PRO 11 6.335 6.732 -0.797 61 HD3 PRO 11 2HD PRO 11 5.121 8.024 -0.698 62 H SER 12 H SER 12 6.635 7.860 4.628 63 HA SER 12 HA SER 12 8.090 5.299 4.651 64 HB2 SER 12 1HB SER 12 8.644 7.723 6.374 65 HB3 SER 12 2HB SER 12 9.643 6.278 6.214 66 HG SER 12 HG SER 12 9.409 8.468 4.547 67 H ASN 13 H ASN 13 8.496 4.639 7.095 68 HA ASN 13 HA ASN 13 7.610 3.767 9.000 69 HB2 ASN 13 1HB ASN 13 5.729 6.123 8.741 70 HB3 ASN 13 2HB ASN 13 5.831 5.079 10.156 71 HD21 ASN 13 1HD2 ASN 13 6.202 7.643 10.613 72 HD22 ASN 13 2HD2 ASN 13 7.867 8.015 10.885 73 H LEU 14 H LEU 14 6.776 2.718 6.507 74 HA LEU 14 HA LEU 14 4.030 2.350 6.217 75 HB2 LEU 14 1HB LEU 14 6.459 0.870 5.377 76 HB3 LEU 14 2HB LEU 14 4.918 0.019 5.281 77 HG LEU 14 HG LEU 14 5.420 2.677 3.956 78 HD11 LEU 14 1HD1 LEU 14 5.873 -0.115 2.955 79 HD12 LEU 14 2HD1 LEU 14 6.961 1.271 2.896 80 HD13 LEU 14 3HD1 LEU 14 5.534 1.227 1.861 81 HD21 LEU 14 3HD2 LEU 14 3.501 1.599 2.520 82 HD22 LEU 14 1HD2 LEU 14 3.142 2.448 4.024 83 HD23 LEU 14 2HD2 LEU 14 3.206 0.685 4.000 84 H ALA 15 H ALA 15 2.544 1.201 7.279 85 HA ALA 15 HA ALA 15 3.431 -0.915 9.116 86 HB1 ALA 15 3HB ALA 15 2.331 -0.075 10.938 87 HB2 ALA 15 1HB ALA 15 2.832 1.426 10.158 88 HB3 ALA 15 2HB ALA 15 1.180 0.838 9.962 89 H LEU 16 H LEU 16 2.581 -2.711 8.283 90 HA LEU 16 HA LEU 16 -0.086 -2.618 7.076 91 HB2 LEU 16 1HB LEU 16 2.284 -4.376 6.812 92 HB3 LEU 16 2HB LEU 16 0.702 -5.126 6.605 93 HG LEU 16 HG LEU 16 0.223 -3.428 4.828 94 HD11 LEU 16 1HD1 LEU 16 1.715 -1.672 5.348 95 HD12 LEU 16 2HD1 LEU 16 2.281 -2.363 3.827 96 HD13 LEU 16 3HD1 LEU 16 3.109 -2.752 5.335 97 HD21 LEU 16 3HD2 LEU 16 1.872 -4.480 3.183 98 HD22 LEU 16 1HD2 LEU 16 0.792 -5.564 4.059 99 HD23 LEU 16 2HD2 LEU 16 2.473 -5.397 4.564 100 H ALA 17 H ALA 17 -1.763 -3.144 8.297 101 HA ALA 17 HA ALA 17 -1.360 -5.059 10.502 102 HB1 ALA 17 3HB ALA 17 -3.189 -2.688 10.266 103 HB2 ALA 17 1HB ALA 17 -3.441 -3.955 11.467 104 HB3 ALA 17 2HB ALA 17 -1.952 -3.009 11.482 105 H SER 18 H SER 18 -2.687 -6.802 10.677 106 HA SER 18 HA SER 18 -4.685 -7.154 8.539 107 HB2 SER 18 1HB SER 18 -2.781 -8.682 8.301 108 HB3 SER 18 2HB SER 18 -3.030 -9.264 9.947 109 HG SER 18 HG SER 18 -4.694 -9.608 7.687 110 H GLU 19 H GLU 19 -6.653 -6.860 9.356 111 HA GLU 19 HA GLU 19 -7.240 -7.948 12.029 112 HB2 GLU 19 1HB GLU 19 -8.934 -6.290 12.281 113 HB3 GLU 19 2HB GLU 19 -7.491 -5.466 11.707 114 HG2 GLU 19 1HG GLU 19 -8.497 -5.708 9.374 115 HG3 GLU 19 2HG GLU 19 -10.000 -6.109 10.203 116 H THR 20 H THR 20 -7.827 -8.314 8.723 117 HA THR 20 HA THR 20 -9.847 -10.338 9.264 118 HB THR 20 HB THR 20 -11.463 -8.801 8.765 119 HG1 THR 20 1HG THR 20 -11.435 -10.412 7.069 120 HG21 THR 20 3HG2 THR 20 -9.723 -6.985 8.434 121 HG22 THR 20 1HG2 THR 20 -11.204 -6.820 7.491 122 HG23 THR 20 2HG2 THR 20 -9.733 -7.418 6.724 123 HA PRO 21 HA PRO 21 -7.443 -12.431 6.208 124 HB2 PRO 21 1HB PRO 21 -9.149 -14.490 5.734 125 HB3 PRO 21 2HB PRO 21 -8.168 -14.373 7.200 126 HG2 PRO 21 1HG PRO 21 -11.047 -13.665 6.786 127 HG3 PRO 21 2HG PRO 21 -10.288 -14.520 8.142 128 HD2 PRO 21 1HD PRO 21 -10.950 -11.897 8.261 129 HD3 PRO 21 2HD PRO 21 -9.552 -12.569 9.124 130 H ASP 22 H ASP 22 -10.118 -10.624 5.606 131 HA ASP 22 HA ASP 22 -10.153 -11.345 2.747 132 HB2 ASP 22 1HB ASP 22 -12.376 -9.762 3.953 133 HB3 ASP 22 2HB ASP 22 -12.411 -10.911 2.618 134 H SER 23 H SER 23 -8.948 -9.155 4.850 135 HA SER 23 HA SER 23 -8.410 -7.238 2.788 136 HB2 SER 23 1HB SER 23 -9.898 -6.164 5.181 137 HB3 SER 23 2HB SER 23 -9.528 -5.345 3.663 138 HG SER 23 HG SER 23 -11.414 -7.397 4.140 139 H LEU 24 H LEU 24 -6.834 -5.661 3.421 140 HA LEU 24 HA LEU 24 -5.529 -6.193 6.001 141 HB2 LEU 24 1HB LEU 24 -4.419 -7.361 4.055 142 HB3 LEU 24 2HB LEU 24 -4.026 -5.760 3.430 143 HG LEU 24 HG LEU 24 -2.890 -5.441 5.761 144 HD11 LEU 24 1HD1 LEU 24 -3.146 -8.426 5.531 145 HD12 LEU 24 2HD1 LEU 24 -3.569 -7.389 6.893 146 HD13 LEU 24 3HD1 LEU 24 -1.875 -7.651 6.477 147 HD21 LEU 24 3HD2 LEU 24 -1.543 -5.319 3.862 148 HD22 LEU 24 1HD2 LEU 24 -1.860 -6.995 3.412 149 HD23 LEU 24 2HD2 LEU 24 -0.828 -6.634 4.796 150 H GLN 25 H GLN 25 -5.011 -4.416 7.114 151 HA GLN 25 HA GLN 25 -5.592 -1.829 5.954 152 HB2 GLN 25 1HB GLN 25 -6.105 -2.725 8.378 153 HB3 GLN 25 2HB GLN 25 -4.472 -2.162 8.705 154 HG2 GLN 25 1HG GLN 25 -5.829 -0.372 9.302 155 HG3 GLN 25 2HG GLN 25 -5.222 0.059 7.704 156 HE21 GLN 25 1HE2 GLN 25 -7.870 -2.003 8.859 157 HE22 GLN 25 2HE2 GLN 25 -9.103 -1.235 7.924 158 H VAL 26 H VAL 26 -4.155 -0.301 5.371 159 HA VAL 26 HA VAL 26 -1.334 -0.647 6.073 160 HB VAL 26 HB VAL 26 -1.492 -1.707 3.910 161 HG11 VAL 26 1HG1 VAL 26 -2.643 0.862 2.836 162 HG12 VAL 26 2HG1 VAL 26 -2.393 -0.652 1.964 163 HG13 VAL 26 3HG1 VAL 26 -3.608 -0.558 3.239 164 HG21 VAL 26 3HG2 VAL 26 0.547 -0.664 3.983 165 HG22 VAL 26 1HG2 VAL 26 -0.146 0.109 2.557 166 HG23 VAL 26 2HG2 VAL 26 -0.157 0.948 4.108 167 H SER 27 H SER 27 -0.426 1.209 6.678 168 HA SER 27 HA SER 27 -1.573 3.735 5.705 169 HB2 SER 27 1HB SER 27 -0.876 3.076 8.576 170 HB3 SER 27 2HB SER 27 -1.279 4.690 7.991 171 HG SER 27 HG SER 27 -3.068 2.648 7.388 172 H TRP 28 H TRP 28 -0.023 5.592 6.653 173 HA TRP 28 HA TRP 28 2.730 5.008 6.892 174 HB2 TRP 28 1HB TRP 28 3.457 5.963 4.685 175 HB3 TRP 28 2HB TRP 28 2.665 4.394 4.573 176 HD1 TRP 28 HD TRP 28 1.951 8.128 3.915 177 HE1 TRP 28 1HE TRP 28 0.083 8.290 2.152 178 HE3 TRP 28 3HE TRP 28 0.793 3.166 3.502 179 HZ2 TRP 28 2HZ TRP 28 -1.652 6.545 0.769 180 HZ3 TRP 28 3HZ TRP 28 -0.983 2.495 1.937 181 HH2 TRP 28 HH TRP 28 -2.180 4.151 0.600 182 H THR 29 H THR 29 4.071 7.083 6.500 183 HA THR 29 HA THR 29 2.594 9.273 7.747 184 HB THR 29 HB THR 29 5.565 8.862 7.365 185 HG1 THR 29 1HG THR 29 4.030 7.741 9.064 186 HG21 THR 29 3HG2 THR 29 4.146 11.024 8.923 187 HG22 THR 29 1HG2 THR 29 4.908 11.257 7.350 188 HG23 THR 29 2HG2 THR 29 5.888 10.818 8.748 189 HA PRO 30 HA PRO 30 2.412 11.214 3.713 190 HB2 PRO 30 1HB PRO 30 0.923 13.332 4.529 191 HB3 PRO 30 2HB PRO 30 0.232 11.736 4.216 192 HG2 PRO 30 1HG PRO 30 0.996 12.990 6.825 193 HG3 PRO 30 2HG PRO 30 -0.449 12.048 6.418 194 HD2 PRO 30 1HD PRO 30 1.662 10.981 7.735 195 HD3 PRO 30 2HD PRO 30 0.652 10.034 6.625 196 HA PRO 31 HA PRO 31 5.808 14.028 4.220 197 HB2 PRO 31 1HB PRO 31 5.831 14.984 1.679 198 HB3 PRO 31 2HB PRO 31 6.446 13.383 2.109 199 HG2 PRO 31 1HG PRO 31 3.799 14.142 0.935 200 HG3 PRO 31 2HG PRO 31 4.868 12.793 0.506 201 HD2 PRO 31 1HD PRO 31 2.681 12.478 2.071 202 HD3 PRO 31 2HD PRO 31 4.146 11.497 2.270 203 H LEU 32 H LEU 32 6.151 16.408 3.074 204 HA LEU 32 HA LEU 32 3.965 18.003 4.192 205 HB2 LEU 32 1HB LEU 32 5.485 19.699 4.570 206 HB3 LEU 32 2HB LEU 32 6.444 18.246 4.849 207 HG LEU 32 HG LEU 32 6.503 19.520 2.152 208 HD11 LEU 32 1HD1 LEU 32 7.695 21.322 2.746 209 HD12 LEU 32 2HD1 LEU 32 8.557 20.459 4.019 210 HD13 LEU 32 3HD1 LEU 32 6.941 21.096 4.324 211 HD21 LEU 32 3HD2 LEU 32 8.987 18.634 3.343 212 HD22 LEU 32 1HD2 LEU 32 8.212 18.130 1.840 213 HD23 LEU 32 2HD2 LEU 32 7.763 17.364 3.364 214 H GLY 33 H GLY 33 5.690 17.376 1.218 215 HA2 GLY 33 1HA GLY 33 4.715 19.600 -0.251 216 HA3 GLY 33 2HA GLY 33 5.374 18.121 -0.934 217 H ARG 34 H ARG 34 3.011 19.809 -1.660 218 HA ARG 34 HA ARG 34 0.632 18.440 -1.026 219 HB2 ARG 34 1HB ARG 34 0.972 20.779 -2.087 220 HB3 ARG 34 2HB ARG 34 1.040 19.910 -3.614 221 HG2 ARG 34 1HG ARG 34 -1.249 19.398 -1.785 222 HG3 ARG 34 2HG ARG 34 -1.212 20.902 -2.709 223 HD2 ARG 34 1HD ARG 34 -0.727 18.282 -4.069 224 HD3 ARG 34 2HD ARG 34 -2.373 18.801 -3.708 225 HE ARG 34 HE ARG 34 -2.140 20.551 -5.244 226 HH11 ARG 34 1HH1 ARG 34 0.764 18.649 -4.982 227 HH12 ARG 34 2HH1 ARG 34 1.460 19.273 -6.441 228 HH21 ARG 34 1HH2 ARG 34 -1.234 21.380 -7.166 229 HH22 ARG 34 2HH2 ARG 34 0.323 20.827 -7.682 230 H VAL 35 H VAL 35 0.327 16.349 -1.436 231 HA VAL 35 HA VAL 35 1.277 15.252 -3.996 232 HB VAL 35 HB VAL 35 2.207 13.912 -2.344 233 HG11 VAL 35 1HG1 VAL 35 1.404 14.529 -0.306 234 HG12 VAL 35 2HG1 VAL 35 -0.277 14.527 -0.844 235 HG13 VAL 35 3HG1 VAL 35 0.538 13.004 -0.488 236 HG21 VAL 35 3HG2 VAL 35 0.671 12.718 -4.052 237 HG22 VAL 35 1HG2 VAL 35 1.293 11.805 -2.678 238 HG23 VAL 35 2HG2 VAL 35 -0.364 12.409 -2.658 239 H LEU 36 H LEU 36 -0.186 14.930 -5.526 240 HA LEU 36 HA LEU 36 -2.890 15.414 -5.335 241 HB2 LEU 36 1HB LEU 36 -1.653 13.413 -7.214 242 HB3 LEU 36 2HB LEU 36 -3.136 14.334 -7.457 243 HG LEU 36 HG LEU 36 -0.361 15.516 -7.350 244 HD11 LEU 36 1HD1 LEU 36 -1.655 14.103 -9.432 245 HD12 LEU 36 2HD1 LEU 36 -0.129 14.985 -9.487 246 HD13 LEU 36 3HD1 LEU 36 -1.639 15.811 -9.873 247 HD21 LEU 36 3HD2 LEU 36 -3.066 16.643 -7.385 248 HD22 LEU 36 1HD2 LEU 36 -1.981 17.308 -8.606 249 HD23 LEU 36 2HD2 LEU 36 -1.535 17.373 -6.900 250 H HIS 37 H HIS 37 -1.505 12.141 -5.671 251 HA HIS 37 HA HIS 37 -3.402 11.147 -3.692 252 HB2 HIS 37 1HB HIS 37 -4.088 9.284 -5.206 253 HB3 HIS 37 2HB HIS 37 -4.647 10.867 -5.738 254 HD1 HIS 37 1HD HIS 37 -2.406 8.056 -6.696 255 HD2 HIS 37 2HD HIS 37 -3.450 11.821 -8.108 256 HE1 HIS 37 1HE HIS 37 -1.516 8.162 -9.045 257 HE2 HIS 37 2HE HIS 37 -2.085 10.480 -9.850 258 H TYR 38 H TYR 38 -3.019 8.569 -3.636 259 HA TYR 38 HA TYR 38 -0.098 8.186 -3.546 260 HB2 TYR 38 1HB TYR 38 -2.187 7.138 -1.627 261 HB3 TYR 38 2HB TYR 38 -0.481 6.709 -1.586 262 HD1 TYR 38 2HD TYR 38 1.170 8.763 -1.440 263 HD2 TYR 38 1HD TYR 38 -2.925 8.875 -0.292 264 HE1 TYR 38 2HE TYR 38 1.630 10.712 -0.012 265 HE2 TYR 38 1HE TYR 38 -2.477 10.825 1.138 266 HH TYR 38 HH TYR 38 0.706 11.865 1.883 267 H TRP 39 H TRP 39 0.039 7.142 -5.521 268 HA TRP 39 HA TRP 39 -1.655 5.103 -6.424 269 HB2 TRP 39 1HB TRP 39 0.004 6.364 -7.820 270 HB3 TRP 39 2HB TRP 39 1.283 5.411 -7.072 271 HD1 TRP 39 HD TRP 39 2.017 3.457 -8.533 272 HE1 TRP 39 1HE TRP 39 0.909 1.930 -10.284 273 HE3 TRP 39 3HE TRP 39 -2.720 5.373 -8.400 274 HZ2 TRP 39 2HZ TRP 39 -1.636 1.584 -11.454 275 HZ3 TRP 39 3HZ TRP 39 -4.433 4.388 -9.867 276 HH2 TRP 39 HH TRP 39 -3.900 2.533 -11.362 277 H LEU 40 H LEU 40 -2.091 3.428 -5.095 278 HA LEU 40 HA LEU 40 0.098 2.065 -3.726 279 HB2 LEU 40 1HB LEU 40 -2.293 2.699 -2.795 280 HB3 LEU 40 2HB LEU 40 -2.730 1.159 -3.532 281 HG LEU 40 HG LEU 40 -0.401 1.227 -1.678 282 HD11 LEU 40 1HD1 LEU 40 -3.243 1.102 -0.695 283 HD12 LEU 40 2HD1 LEU 40 -2.226 2.538 -0.585 284 HD13 LEU 40 3HD1 LEU 40 -1.765 1.065 0.267 285 HD21 LEU 40 3HD2 LEU 40 -1.004 -0.816 -2.891 286 HD22 LEU 40 1HD2 LEU 40 -2.614 -0.763 -2.172 287 HD23 LEU 40 2HD2 LEU 40 -1.199 -1.010 -1.148 288 H THR 41 H THR 41 0.730 -0.006 -4.142 289 HA THR 41 HA THR 41 -0.699 -1.544 -6.178 290 HB THR 41 HB THR 41 1.502 -2.091 -7.291 291 HG1 THR 41 1HG THR 41 2.327 -0.194 -5.429 292 HG21 THR 41 3HG2 THR 41 1.064 0.832 -7.627 293 HG22 THR 41 1HG2 THR 41 -0.295 -0.247 -7.937 294 HG23 THR 41 2HG2 THR 41 1.206 -0.437 -8.844 295 H TYR 42 H TYR 42 -1.188 -3.302 -5.011 296 HA TYR 42 HA TYR 42 0.884 -4.490 -3.303 297 HB2 TYR 42 1HB TYR 42 -0.908 -5.685 -2.191 298 HB3 TYR 42 2HB TYR 42 -1.309 -3.972 -2.259 299 HD1 TYR 42 1HD TYR 42 -3.071 -3.170 -3.781 300 HD2 TYR 42 2HD TYR 42 -2.222 -7.318 -3.361 301 HE1 TYR 42 1HE TYR 42 -5.224 -3.712 -4.840 302 HE2 TYR 42 2HE TYR 42 -4.372 -7.871 -4.419 303 HH TYR 42 HH TYR 42 -5.978 -6.445 -6.179 304 H ALA 43 H ALA 43 1.371 -6.705 -3.428 305 HA ALA 43 HA ALA 43 0.225 -8.331 -5.519 306 HB1 ALA 43 3HB ALA 43 2.979 -8.526 -6.061 307 HB2 ALA 43 1HB ALA 43 1.707 -7.901 -7.111 308 HB3 ALA 43 2HB ALA 43 2.587 -6.807 -6.043 309 HA PRO 44 HA PRO 44 1.431 -11.651 -2.918 310 HB2 PRO 44 1HB PRO 44 2.103 -13.597 -4.688 311 HB3 PRO 44 2HB PRO 44 0.435 -13.078 -4.418 312 HG2 PRO 44 1HG PRO 44 2.328 -12.309 -6.606 313 HG3 PRO 44 2HG PRO 44 0.606 -12.720 -6.709 314 HD2 PRO 44 1HD PRO 44 1.498 -10.164 -6.736 315 HD3 PRO 44 2HD PRO 44 -0.064 -10.622 -6.029 316 H ALA 45 H ALA 45 3.673 -9.943 -4.614 317 HA ALA 45 HA ALA 45 5.941 -9.759 -4.559 318 HB1 ALA 45 3HB ALA 45 7.025 -10.885 -2.491 319 HB2 ALA 45 1HB ALA 45 5.904 -9.543 -2.256 320 HB3 ALA 45 2HB ALA 45 5.359 -11.202 -2.005 321 H SER 46 H SER 46 4.906 -11.781 -6.219 322 HA SER 46 HA SER 46 7.016 -13.831 -6.028 323 HB2 SER 46 1HB SER 46 4.710 -14.727 -5.724 324 HB3 SER 46 2HB SER 46 4.301 -14.134 -7.334 325 HG SER 46 HG SER 46 5.629 -16.385 -6.612 326 H GLY 47 H GLY 47 4.833 -12.410 -8.475 327 HA2 GLY 47 1HA GLY 47 5.698 -11.110 -10.315 328 HA3 GLY 47 2HA GLY 47 7.187 -12.038 -10.209 329 H LEU 48 H LEU 48 3.923 -13.364 -10.141 330 HA LEU 48 HA LEU 48 4.528 -14.743 -12.672 331 HB2 LEU 48 1HB LEU 48 2.621 -15.612 -10.507 332 HB3 LEU 48 2HB LEU 48 3.080 -16.527 -11.941 333 HG LEU 48 HG LEU 48 5.138 -15.748 -9.907 334 HD11 LEU 48 1HD1 LEU 48 3.825 -16.857 -8.417 335 HD12 LEU 48 2HD1 LEU 48 4.645 -18.237 -9.147 336 HD13 LEU 48 3HD1 LEU 48 3.015 -17.806 -9.663 337 HD21 LEU 48 3HD2 LEU 48 5.089 -17.218 -12.343 338 HD22 LEU 48 1HD2 LEU 48 5.480 -18.325 -11.027 339 HD23 LEU 48 2HD2 LEU 48 6.458 -16.880 -11.283 340 H GLY 49 H GLY 49 1.701 -13.670 -10.767 341 HA2 GLY 49 1HA GLY 49 0.141 -13.396 -13.204 342 HA3 GLY 49 2HA GLY 49 -0.438 -13.161 -11.561 343 HA PRO 50 HA PRO 50 0.097 -9.030 -13.699 344 HB2 PRO 50 1HB PRO 50 -2.457 -8.192 -13.321 345 HB3 PRO 50 2HB PRO 50 -1.952 -9.127 -14.734 346 HG2 PRO 50 1HG PRO 50 -3.315 -10.057 -12.236 347 HG3 PRO 50 2HG PRO 50 -3.642 -10.502 -13.921 348 HD2 PRO 50 1HD PRO 50 -2.219 -12.083 -12.246 349 HD3 PRO 50 2HD PRO 50 -1.902 -12.012 -13.991 350 H GLU 51 H GLU 51 0.219 -7.011 -12.678 351 HA GLU 51 HA GLU 51 0.193 -7.149 -9.763 352 HB2 GLU 51 1HB GLU 51 2.228 -6.319 -10.794 353 HB3 GLU 51 2HB GLU 51 1.323 -5.087 -11.662 354 HG2 GLU 51 1HG GLU 51 2.156 -3.853 -9.938 355 HG3 GLU 51 2HG GLU 51 0.609 -4.350 -9.253 356 H LYS 52 H LYS 52 -1.248 -6.132 -8.518 357 HA LYS 52 HA LYS 52 -3.411 -4.684 -9.803 358 HB2 LYS 52 1HB LYS 52 -2.990 -5.577 -6.947 359 HB3 LYS 52 2HB LYS 52 -4.419 -4.719 -7.509 360 HG2 LYS 52 1HG LYS 52 -3.603 -7.238 -8.876 361 HG3 LYS 52 2HG LYS 52 -4.420 -7.320 -7.313 362 HD2 LYS 52 1HD LYS 52 -6.311 -6.116 -8.173 363 HD3 LYS 52 2HD LYS 52 -5.475 -5.802 -9.696 364 HE2 LYS 52 1HE LYS 52 -5.564 -8.089 -10.316 365 HE3 LYS 52 2HE LYS 52 -6.069 -8.579 -8.700 366 HZ1 LYS 52 3HZ LYS 52 -7.924 -6.723 -9.656 367 HZ2 LYS 52 1HZ LYS 52 -8.161 -8.369 -9.342 368 HZ3 LYS 52 2HZ LYS 52 -7.677 -7.863 -10.881 369 H SER 53 H SER 53 -4.235 -2.666 -8.792 370 HA SER 53 HA SER 53 -2.414 -1.051 -7.270 371 HB2 SER 53 1HB SER 53 -3.018 -0.115 -10.078 372 HB3 SER 53 2HB SER 53 -1.919 0.617 -8.908 373 HG SER 53 HG SER 53 -1.213 -1.006 -10.737 374 H VAL 54 H VAL 54 -3.726 -0.045 -5.912 375 HA VAL 54 HA VAL 54 -6.384 0.792 -6.864 376 HB VAL 54 HB VAL 54 -7.121 0.751 -4.548 377 HG11 VAL 54 1HG1 VAL 54 -7.596 -1.413 -4.745 378 HG12 VAL 54 2HG1 VAL 54 -6.458 -1.472 -6.093 379 HG13 VAL 54 3HG1 VAL 54 -5.917 -1.869 -4.461 380 HG21 VAL 54 3HG2 VAL 54 -5.662 -0.080 -2.763 381 HG22 VAL 54 1HG2 VAL 54 -4.316 -0.152 -3.901 382 HG23 VAL 54 2HG2 VAL 54 -5.030 1.404 -3.477 383 H SER 55 H SER 55 -6.946 2.887 -6.824 384 HA SER 55 HA SER 55 -4.919 4.844 -6.226 385 HB2 SER 55 1HB SER 55 -6.290 5.210 -8.177 386 HB3 SER 55 2HB SER 55 -7.765 5.112 -7.216 387 HG SER 55 HG SER 55 -7.478 7.104 -6.555 388 H VAL 56 H VAL 56 -4.943 6.392 -4.628 389 HA VAL 56 HA VAL 56 -7.060 6.192 -2.596 390 HB VAL 56 HB VAL 56 -4.096 6.323 -2.028 391 HG11 VAL 56 1HG1 VAL 56 -4.543 6.640 0.201 392 HG12 VAL 56 2HG1 VAL 56 -5.842 7.586 -0.529 393 HG13 VAL 56 3HG1 VAL 56 -6.168 5.964 0.084 394 HG21 VAL 56 3HG2 VAL 56 -4.851 4.096 -2.694 395 HG22 VAL 56 1HG2 VAL 56 -4.420 4.136 -0.985 396 HG23 VAL 56 2HG2 VAL 56 -6.116 4.152 -1.467 397 HA PRO 57 HA PRO 57 -7.150 10.585 -3.023 398 HB2 PRO 57 1HB PRO 57 -8.567 11.152 -0.778 399 HB3 PRO 57 2HB PRO 57 -9.302 10.457 -2.228 400 HG2 PRO 57 1HG PRO 57 -8.428 9.096 0.292 401 HG3 PRO 57 2HG PRO 57 -9.906 8.852 -0.657 402 HD2 PRO 57 1HD PRO 57 -7.777 7.186 -0.820 403 HD3 PRO 57 2HD PRO 57 -8.842 7.513 -2.203 404 H GLY 58 H GLY 58 -5.237 11.588 -2.722 405 HA2 GLY 58 1HA GLY 58 -3.341 11.369 -0.837 406 HA3 GLY 58 2HA GLY 58 -3.749 12.926 -1.543 407 H ALA 59 H ALA 59 -6.385 13.082 -0.396 408 HA ALA 59 HA ALA 59 -6.009 14.551 1.845 409 HB1 ALA 59 3HB ALA 59 -8.403 12.865 2.034 410 HB2 ALA 59 1HB ALA 59 -8.248 14.622 1.992 411 HB3 ALA 59 2HB ALA 59 -8.201 13.696 0.492 412 H ARG 60 H ARG 60 -6.509 11.037 1.764 413 HA ARG 60 HA ARG 60 -5.805 10.917 4.614 414 HB2 ARG 60 1HB ARG 60 -6.790 8.684 4.610 415 HB3 ARG 60 2HB ARG 60 -7.937 9.868 3.998 416 HG2 ARG 60 1HG ARG 60 -6.965 9.125 1.673 417 HG3 ARG 60 2HG ARG 60 -6.535 7.670 2.573 418 HD2 ARG 60 1HD ARG 60 -8.730 7.481 1.477 419 HD3 ARG 60 2HD ARG 60 -8.842 7.357 3.233 420 HE ARG 60 HE ARG 60 -9.245 10.031 2.452 421 HH11 ARG 60 1HH1 ARG 60 -10.808 6.921 2.348 422 HH12 ARG 60 2HH1 ARG 60 -12.410 7.581 2.343 423 HH21 ARG 60 1HH2 ARG 60 -11.349 10.911 2.445 424 HH22 ARG 60 2HH2 ARG 60 -12.717 9.850 2.397 425 H SER 61 H SER 61 -4.236 9.443 5.352 426 HA SER 61 HA SER 61 -2.295 8.651 3.285 427 HB2 SER 61 1HB SER 61 -1.693 9.039 6.218 428 HB3 SER 61 2HB SER 61 -0.550 8.948 4.878 429 HG SER 61 HG SER 61 -2.326 10.925 4.458 430 H HIS 62 H HIS 62 -4.612 7.086 4.109 431 HA HIS 62 HA HIS 62 -3.228 4.607 4.652 432 HB2 HIS 62 1HB HIS 62 -4.898 4.040 6.503 433 HB3 HIS 62 2HB HIS 62 -3.601 5.156 6.918 434 HD1 HIS 62 1HD HIS 62 -4.587 6.740 8.545 435 HD2 HIS 62 2HD HIS 62 -7.137 6.014 5.346 436 HE1 HIS 62 1HE HIS 62 -6.551 8.272 8.889 437 HE2 HIS 62 2HE HIS 62 -8.120 7.754 6.988 438 H VAL 63 H VAL 63 -4.494 2.740 4.179 439 HA VAL 63 HA VAL 63 -7.189 3.022 3.213 440 HB VAL 63 HB VAL 63 -5.729 3.824 1.297 441 HG11 VAL 63 1HG1 VAL 63 -4.154 2.530 0.368 442 HG12 VAL 63 2HG1 VAL 63 -4.225 1.617 1.877 443 HG13 VAL 63 3HG1 VAL 63 -5.150 1.078 0.475 444 HG21 VAL 63 3HG2 VAL 63 -7.223 3.016 -0.250 445 HG22 VAL 63 1HG2 VAL 63 -7.221 1.392 0.436 446 HG23 VAL 63 2HG2 VAL 63 -8.096 2.691 1.247 447 H THR 64 H THR 64 -7.933 0.887 2.200 448 HA THR 64 HA THR 64 -6.539 -1.376 3.468 449 HB THR 64 HB THR 64 -9.540 -1.239 3.274 450 HG1 THR 64 1HG THR 64 -9.615 -0.121 5.090 451 HG21 THR 64 3HG2 THR 64 -7.881 -2.753 5.265 452 HG22 THR 64 1HG2 THR 64 -8.200 -3.407 3.658 453 HG23 THR 64 2HG2 THR 64 -9.541 -3.053 4.749 454 H LEU 65 H LEU 65 -6.523 -3.301 2.350 455 HA LEU 65 HA LEU 65 -7.517 -3.160 -0.417 456 HB2 LEU 65 1HB LEU 65 -5.364 -4.976 0.642 457 HB3 LEU 65 2HB LEU 65 -5.776 -4.665 -1.043 458 HG LEU 65 HG LEU 65 -4.824 -2.401 0.649 459 HD11 LEU 65 1HD1 LEU 65 -2.750 -3.919 -0.791 460 HD12 LEU 65 2HD1 LEU 65 -3.351 -4.651 0.697 461 HD13 LEU 65 3HD1 LEU 65 -2.662 -3.028 0.729 462 HD21 LEU 65 3HD2 LEU 65 -4.820 -1.376 -1.318 463 HD22 LEU 65 1HD2 LEU 65 -5.449 -2.842 -2.069 464 HD23 LEU 65 2HD2 LEU 65 -3.708 -2.580 -1.970 465 HA PRO 66 HA PRO 66 -10.296 -6.298 1.347 466 HB2 PRO 66 1HB PRO 66 -12.211 -5.957 -0.546 467 HB3 PRO 66 2HB PRO 66 -12.061 -4.907 0.867 468 HG2 PRO 66 1HG PRO 66 -11.114 -4.457 -1.936 469 HG3 PRO 66 2HG PRO 66 -11.914 -3.325 -0.831 470 HD2 PRO 66 1HD PRO 66 -9.239 -3.307 -1.248 471 HD3 PRO 66 2HD PRO 66 -9.965 -2.865 0.310 472 H ASP 67 H ASP 67 -11.563 -8.084 0.089 473 HA ASP 67 HA ASP 67 -11.384 -10.034 -1.076 474 HB2 ASP 67 1HB ASP 67 -10.294 -8.121 -3.150 475 HB3 ASP 67 2HB ASP 67 -10.739 -9.793 -3.479 476 H LEU 68 H LEU 68 -9.474 -10.014 0.720 477 HA LEU 68 HA LEU 68 -7.005 -10.769 -0.699 478 HB2 LEU 68 1HB LEU 68 -7.475 -9.601 2.020 479 HB3 LEU 68 2HB LEU 68 -5.989 -10.474 1.650 480 HG LEU 68 HG LEU 68 -6.951 -8.004 0.209 481 HD11 LEU 68 1HD1 LEU 68 -6.356 -7.340 2.400 482 HD12 LEU 68 2HD1 LEU 68 -4.973 -6.966 1.372 483 HD13 LEU 68 3HD1 LEU 68 -4.939 -8.391 2.411 484 HD21 LEU 68 3HD2 LEU 68 -4.650 -8.005 -0.704 485 HD22 LEU 68 1HD2 LEU 68 -5.603 -9.396 -1.221 486 HD23 LEU 68 2HD2 LEU 68 -4.386 -9.581 0.042 487 H GLN 69 H GLN 69 -5.740 -12.516 0.359 488 HA GLN 69 HA GLN 69 -7.552 -14.661 1.173 489 HB2 GLN 69 1HB GLN 69 -4.691 -14.684 0.208 490 HB3 GLN 69 2HB GLN 69 -5.544 -16.122 0.753 491 HG2 GLN 69 1HG GLN 69 -7.298 -15.483 -1.022 492 HG3 GLN 69 2HG GLN 69 -6.025 -14.457 -1.682 493 HE21 GLN 69 1HE2 GLN 69 -4.824 -15.355 -3.183 494 HE22 GLN 69 2HE2 GLN 69 -4.527 -17.045 -3.382 495 H ALA 70 H ALA 70 -6.253 -16.339 2.656 496 HA ALA 70 HA ALA 70 -5.419 -14.794 5.019 497 HB1 ALA 70 3HB ALA 70 -6.120 -17.563 5.532 498 HB2 ALA 70 1HB ALA 70 -6.725 -16.085 6.280 499 HB3 ALA 70 2HB ALA 70 -7.435 -16.665 4.773 500 H ALA 71 H ALA 71 -3.626 -15.439 6.215 501 HA ALA 71 HA ALA 71 -1.514 -16.223 6.538 502 HB1 ALA 71 3HB ALA 71 -3.135 -18.447 6.101 503 HB2 ALA 71 1HB ALA 71 -1.700 -18.722 5.112 504 HB3 ALA 71 2HB ALA 71 -1.536 -18.424 6.843 505 H THR 72 H THR 72 -1.699 -14.499 4.443 506 HA THR 72 HA THR 72 0.442 -15.458 2.716 507 HB THR 72 HB THR 72 -2.070 -14.246 1.548 508 HG1 THR 72 1HG THR 72 -2.726 -16.260 1.657 509 HG21 THR 72 3HG2 THR 72 -1.055 -14.288 -0.511 510 HG22 THR 72 1HG2 THR 72 0.054 -15.583 -0.060 511 HG23 THR 72 2HG2 THR 72 0.339 -13.938 0.511 512 H LYS 73 H LYS 73 1.790 -13.851 1.974 513 HA LYS 73 HA LYS 73 1.527 -11.287 3.305 514 HB2 LYS 73 1HB LYS 73 3.711 -12.690 1.811 515 HB3 LYS 73 2HB LYS 73 3.810 -10.951 2.057 516 HG2 LYS 73 1HG LYS 73 5.013 -11.855 3.831 517 HG3 LYS 73 2HG LYS 73 3.443 -11.459 4.533 518 HD2 LYS 73 1HD LYS 73 3.906 -13.602 5.346 519 HD3 LYS 73 2HD LYS 73 2.809 -13.886 3.994 520 HE2 LYS 73 1HE LYS 73 4.647 -14.482 2.562 521 HE3 LYS 73 2HE LYS 73 5.814 -14.034 3.805 522 HZ1 LYS 73 3HZ LYS 73 5.712 -16.290 4.072 523 HZ2 LYS 73 1HZ LYS 73 4.076 -16.394 3.654 524 HZ3 LYS 73 2HZ LYS 73 4.524 -15.811 5.177 525 H TYR 74 H TYR 74 2.295 -9.327 1.943 526 HA TYR 74 HA TYR 74 1.519 -9.352 -0.829 527 HB2 TYR 74 1HB TYR 74 -0.153 -7.826 1.178 528 HB3 TYR 74 2HB TYR 74 -0.275 -7.664 -0.570 529 HD1 TYR 74 2HD TYR 74 -0.715 -10.050 2.232 530 HD2 TYR 74 1HD TYR 74 -1.584 -9.162 -1.837 531 HE1 TYR 74 2HE TYR 74 -2.337 -11.899 2.181 532 HE2 TYR 74 1HE TYR 74 -3.209 -11.007 -1.899 533 HH TYR 74 HH TYR 74 -3.757 -13.069 0.942 534 H ARG 75 H ARG 75 3.030 -8.148 -1.747 535 HA ARG 75 HA ARG 75 4.576 -6.241 -0.295 536 HB2 ARG 75 1HB ARG 75 5.122 -7.720 -2.441 537 HB3 ARG 75 2HB ARG 75 4.592 -6.264 -3.273 538 HG2 ARG 75 1HG ARG 75 6.260 -4.979 -1.941 539 HG3 ARG 75 2HG ARG 75 6.855 -6.515 -1.309 540 HD2 ARG 75 1HD ARG 75 7.757 -7.151 -3.321 541 HD3 ARG 75 2HD ARG 75 6.620 -6.181 -4.257 542 HE ARG 75 HE ARG 75 8.054 -4.285 -3.050 543 HH11 ARG 75 1HH1 ARG 75 9.038 -7.178 -4.719 544 HH12 ARG 75 2HH1 ARG 75 10.545 -6.512 -5.256 545 HH21 ARG 75 1HH2 ARG 75 10.034 -3.397 -3.752 546 HH22 ARG 75 2HH2 ARG 75 11.111 -4.361 -4.705 547 H VAL 76 H VAL 76 3.232 -4.617 0.449 548 HA VAL 76 HA VAL 76 1.481 -3.183 -1.330 549 HB VAL 76 HB VAL 76 2.311 -2.662 1.524 550 HG11 VAL 76 1HG1 VAL 76 -0.002 -1.221 1.023 551 HG12 VAL 76 2HG1 VAL 76 1.623 -0.563 1.226 552 HG13 VAL 76 3HG1 VAL 76 1.009 -0.918 -0.389 553 HG21 VAL 76 3HG2 VAL 76 -0.455 -3.335 0.638 554 HG22 VAL 76 1HG2 VAL 76 0.747 -4.621 0.749 555 HG23 VAL 76 2HG2 VAL 76 0.347 -3.663 2.174 556 H LEU 77 H LEU 77 2.742 -2.277 -2.940 557 HA LEU 77 HA LEU 77 4.963 -0.547 -2.212 558 HB2 LEU 77 1HB LEU 77 3.864 -1.632 -4.764 559 HB3 LEU 77 2HB LEU 77 4.892 -0.201 -4.808 560 HG LEU 77 HG LEU 77 6.471 -1.796 -3.361 561 HD11 LEU 77 1HD1 LEU 77 6.380 -4.072 -4.138 562 HD12 LEU 77 2HD1 LEU 77 4.996 -3.705 -5.167 563 HD13 LEU 77 3HD1 LEU 77 4.831 -3.645 -3.412 564 HD21 LEU 77 3HD2 LEU 77 7.183 -0.692 -5.363 565 HD22 LEU 77 1HD2 LEU 77 6.182 -1.748 -6.360 566 HD23 LEU 77 2HD2 LEU 77 7.579 -2.405 -5.508 567 H VAL 78 H VAL 78 4.540 1.462 -1.594 568 HA VAL 78 HA VAL 78 2.230 2.857 -2.765 569 HB VAL 78 HB VAL 78 3.771 3.596 -0.274 570 HG11 VAL 78 1HG1 VAL 78 2.600 5.445 -1.447 571 HG12 VAL 78 2HG1 VAL 78 1.085 4.561 -1.248 572 HG13 VAL 78 3HG1 VAL 78 1.971 5.127 0.169 573 HG21 VAL 78 3HG2 VAL 78 1.307 1.934 -0.676 574 HG22 VAL 78 1HG2 VAL 78 2.736 1.585 0.297 575 HG23 VAL 78 2HG2 VAL 78 1.584 2.809 0.829 576 H SER 79 H SER 79 2.444 5.022 -3.466 577 HA SER 79 HA SER 79 5.103 6.166 -3.686 578 HB2 SER 79 1HB SER 79 4.536 6.513 -6.247 579 HB3 SER 79 2HB SER 79 5.326 5.038 -5.690 580 HG SER 79 HG SER 79 2.839 4.489 -5.433 581 H ALA 80 H ALA 80 5.027 8.320 -3.541 582 HA ALA 80 HA ALA 80 2.433 9.609 -3.402 583 HB1 ALA 80 3HB ALA 80 3.486 10.724 -1.796 584 HB2 ALA 80 1HB ALA 80 5.048 10.074 -2.295 585 HB3 ALA 80 2HB ALA 80 4.421 11.541 -3.049 586 H ILE 81 H ILE 81 1.519 10.616 -5.057 587 HA ILE 81 HA ILE 81 3.141 11.269 -7.402 588 HB ILE 81 HB ILE 81 0.155 11.086 -7.018 589 HG12 ILE 81 1HG1 ILE 81 0.279 9.170 -8.440 590 HG13 ILE 81 2HG1 ILE 81 1.952 9.514 -8.867 591 HG21 ILE 81 1HG2 ILE 81 -0.101 12.467 -8.738 592 HG22 ILE 81 2HG2 ILE 81 1.644 12.586 -8.960 593 HG23 ILE 81 3HG2 ILE 81 0.741 11.293 -9.749 594 HD11 ILE 81 3HD1 ILE 81 1.193 8.935 -6.036 595 HD12 ILE 81 1HD1 ILE 81 1.445 7.629 -7.194 596 HD13 ILE 81 2HD1 ILE 81 2.755 8.755 -6.835 597 H TYR 82 H TYR 82 3.849 13.270 -7.675 598 HA TYR 82 HA TYR 82 2.362 15.478 -6.415 599 HB2 TYR 82 1HB TYR 82 5.284 15.396 -7.196 600 HB3 TYR 82 2HB TYR 82 4.466 16.715 -6.366 601 HD1 TYR 82 1HD TYR 82 3.841 16.511 -4.016 602 HD2 TYR 82 2HD TYR 82 5.893 13.369 -6.021 603 HE1 TYR 82 1HE TYR 82 4.382 15.487 -1.846 604 HE2 TYR 82 2HE TYR 82 6.439 12.337 -3.857 605 HH TYR 82 HH TYR 82 5.654 12.322 -1.574 606 H ALA 83 H ALA 83 2.639 17.609 -7.574 607 HA ALA 83 HA ALA 83 1.494 17.543 -10.081 608 HB1 ALA 83 3HB ALA 83 2.646 19.562 -8.358 609 HB2 ALA 83 1HB ALA 83 2.915 19.925 -10.064 610 HB3 ALA 83 2HB ALA 83 1.276 19.669 -9.463 611 H ALA 84 H ALA 84 4.930 17.833 -9.251 612 HA ALA 84 HA ALA 84 5.792 18.012 -11.973 613 HB1 ALA 84 3HB ALA 84 7.010 18.121 -9.350 614 HB2 ALA 84 1HB ALA 84 7.977 17.178 -10.484 615 HB3 ALA 84 2HB ALA 84 7.538 18.842 -10.871 616 H GLY 85 H GLY 85 5.850 15.429 -9.521 617 HA2 GLY 85 1HA GLY 85 5.371 13.380 -11.411 618 HA3 GLY 85 2HA GLY 85 7.090 13.459 -11.055 619 H ARG 86 H ARG 86 6.104 11.150 -10.440 620 HA ARG 86 HA ARG 86 5.207 11.184 -7.653 621 HB2 ARG 86 1HB ARG 86 4.749 8.786 -7.984 622 HB3 ARG 86 2HB ARG 86 3.913 9.787 -9.164 623 HG2 ARG 86 1HG ARG 86 5.162 9.020 -10.911 624 HG3 ARG 86 2HG ARG 86 6.568 8.680 -9.899 625 HD2 ARG 86 1HD ARG 86 5.021 6.869 -8.844 626 HD3 ARG 86 2HD ARG 86 4.104 7.046 -10.339 627 HE ARG 86 HE ARG 86 6.601 5.715 -10.012 628 HH11 ARG 86 1HH1 ARG 86 4.699 7.579 -12.254 629 HH12 ARG 86 2HH1 ARG 86 5.454 6.902 -13.659 630 HH21 ARG 86 1HH2 ARG 86 7.603 4.817 -11.854 631 HH22 ARG 86 2HH2 ARG 86 7.105 5.331 -13.430 632 H SER 87 H SER 87 6.394 10.367 -5.992 633 HA SER 87 HA SER 87 9.220 10.161 -6.365 634 HB2 SER 87 1HB SER 87 9.320 9.824 -3.953 635 HB3 SER 87 2HB SER 87 8.195 11.131 -4.322 636 HG SER 87 HG SER 87 7.130 8.569 -4.167 637 H GLU 88 H GLU 88 10.328 8.259 -5.062 638 HA GLU 88 HA GLU 88 10.095 5.956 -6.586 639 HB2 GLU 88 1HB GLU 88 11.612 4.932 -5.080 640 HB3 GLU 88 2HB GLU 88 12.028 6.640 -5.103 641 HG2 GLU 88 1HG GLU 88 10.928 6.992 -2.999 642 HG3 GLU 88 2HG GLU 88 10.324 5.336 -2.994 643 H ALA 89 H ALA 89 9.852 3.719 -5.238 644 HA ALA 89 HA ALA 89 7.176 3.816 -4.003 645 HB1 ALA 89 3HB ALA 89 6.892 2.848 -6.147 646 HB2 ALA 89 1HB ALA 89 8.303 1.810 -5.942 647 HB3 ALA 89 2HB ALA 89 6.849 1.520 -4.987 648 H VAL 90 H VAL 90 6.997 2.937 -2.042 649 HA VAL 90 HA VAL 90 9.293 1.446 -0.981 650 HB VAL 90 HB VAL 90 8.130 1.891 1.255 651 HG11 VAL 90 1HG1 VAL 90 9.005 4.221 1.344 652 HG12 VAL 90 2HG1 VAL 90 10.137 3.058 0.652 653 HG13 VAL 90 3HG1 VAL 90 9.240 4.151 -0.402 654 HG21 VAL 90 3HG2 VAL 90 5.986 2.578 -0.058 655 HG22 VAL 90 1HG2 VAL 90 6.424 3.437 1.418 656 HG23 VAL 90 2HG2 VAL 90 6.776 4.151 -0.155 657 H SER 91 H SER 91 9.142 -0.667 -0.649 658 HA SER 91 HA SER 91 6.600 -2.004 -1.021 659 HB2 SER 91 1HB SER 91 7.840 -4.016 -1.185 660 HB3 SER 91 2HB SER 91 8.844 -2.796 -1.968 661 HG SER 91 HG SER 91 10.234 -3.760 -0.630 662 H ALA 92 H ALA 92 5.918 -3.735 0.478 663 HA ALA 92 HA ALA 92 6.838 -3.740 3.178 664 HB1 ALA 92 3HB ALA 92 4.220 -2.972 3.682 665 HB2 ALA 92 1HB ALA 92 5.674 -2.015 3.965 666 HB3 ALA 92 2HB ALA 92 4.782 -1.839 2.453 667 H THR 93 H THR 93 6.617 -5.802 3.710 668 HA THR 93 HA THR 93 4.501 -7.400 2.493 669 HB THR 93 HB THR 93 5.715 -9.323 3.615 670 HG1 THR 93 1HG THR 93 7.792 -7.411 3.961 671 HG21 THR 93 3HG2 THR 93 6.225 -7.988 1.247 672 HG22 THR 93 1HG2 THR 93 6.822 -9.587 1.687 673 HG23 THR 93 2HG2 THR 93 7.821 -8.162 1.976 674 H GLY 94 H GLY 94 2.631 -7.626 3.522 675 HA2 GLY 94 1HA GLY 94 2.672 -7.710 6.477 676 HA3 GLY 94 2HA GLY 94 1.414 -6.874 5.579 677 H GLN 95 H GLN 95 2.601 -9.930 6.683 678 HA GLN 95 HA GLN 95 1.004 -11.675 5.199 679 HB2 GLN 95 1HB GLN 95 2.915 -12.186 6.858 680 HB3 GLN 95 2HB GLN 95 1.664 -12.145 8.094 681 HG2 GLN 95 1HG GLN 95 0.513 -13.973 7.105 682 HG3 GLN 95 2HG GLN 95 1.539 -13.919 5.673 683 HE21 GLN 95 1HE2 GLN 95 1.057 -16.159 7.398 684 HE22 GLN 95 2HE2 GLN 95 2.583 -16.623 8.063 685 H THR 96 H THR 96 -1.102 -12.121 5.195 686 HA THR 96 HA THR 96 -2.910 -10.588 6.782 687 HB THR 96 HB THR 96 -4.646 -12.164 5.726 688 HG1 THR 96 1HG THR 96 -3.907 -13.462 4.073 689 HG21 THR 96 3HG2 THR 96 -2.934 -10.139 4.438 690 HG22 THR 96 1HG2 THR 96 -4.689 -10.206 4.594 691 HG23 THR 96 2HG2 THR 96 -3.878 -11.145 3.339 692 H ALA 97 H ALA 97 -4.870 -11.891 7.762 693 HA ALA 97 HA ALA 97 -3.775 -13.389 9.962 694 HB1 ALA 97 3HB ALA 97 -5.601 -11.744 10.247 695 HB2 ALA 97 1HB ALA 97 -6.665 -12.809 9.328 696 HB3 ALA 97 2HB ALA 97 -6.006 -13.342 10.875 697 H CYS 98 H CYS 98 -4.047 -15.536 10.433 698 HA CYS 98 HA CYS 98 -4.345 -17.327 8.265 699 HB2 CYS 98 1HB CYS 98 -3.932 -17.577 11.202 700 HB3 CYS 98 2HB CYS 98 -4.533 -18.993 10.347 701 HG CYS 98 HG CYS 98 -1.856 -19.435 10.534 702 HA PRO 99 HA PRO 99 -8.627 -18.264 8.165 703 HB2 PRO 99 1HB PRO 99 -8.640 -20.954 7.796 704 HB3 PRO 99 2HB PRO 99 -8.158 -19.813 6.534 705 HG2 PRO 99 1HG PRO 99 -6.444 -21.431 8.380 706 HG3 PRO 99 2HG PRO 99 -6.244 -21.128 6.644 707 HD2 PRO 99 1HD PRO 99 -4.839 -19.785 8.529 708 HD3 PRO 99 2HD PRO 99 -5.315 -19.046 6.987 709 H SER 100 H SER 100 -6.664 -19.492 10.653 710 HA SER 100 HA SER 100 -8.928 -20.681 12.082 711 HB2 SER 100 1HB SER 100 -7.349 -21.722 13.516 712 HB3 SER 100 2HB SER 100 -6.665 -21.853 11.895 713 HG SER 100 HG SER 100 -5.765 -19.600 12.783 714 H GLY 101 H GLY 101 -9.310 -20.107 14.322 715 HA2 GLY 101 1HA GLY 101 -8.503 -17.328 14.925 716 HA3 GLY 101 2HA GLY 101 -10.133 -17.921 15.208 717 HA PRO 102 HA PRO 102 -7.608 -18.316 19.116 718 HB2 PRO 102 1HB PRO 102 -9.356 -16.966 20.694 719 HB3 PRO 102 2HB PRO 102 -8.067 -16.167 19.785 720 HG2 PRO 102 1HG PRO 102 -10.972 -16.438 19.113 721 HG3 PRO 102 2HG PRO 102 -9.915 -15.022 18.960 722 HD2 PRO 102 1HD PRO 102 -10.559 -16.594 16.851 723 HD3 PRO 102 2HD PRO 102 -8.994 -15.767 16.983 724 H SER 103 H SER 103 -10.384 -19.486 17.793 725 HA SER 103 HA SER 103 -12.102 -20.453 19.581 726 HB2 SER 103 1HB SER 103 -12.273 -21.177 17.304 727 HB3 SER 103 2HB SER 103 -10.728 -22.022 17.393 728 HG SER 103 HG SER 103 -12.945 -22.700 19.019 729 H SER 104 H SER 104 -8.828 -21.733 19.139 730 HA SER 104 HA SER 104 -9.175 -23.525 21.413 731 HB2 SER 104 1HB SER 104 -8.030 -24.335 19.362 732 HB3 SER 104 2HB SER 104 -6.762 -23.139 19.625 733 HG SER 104 HG SER 104 -7.475 -25.183 21.462 734 H GLY 105 H GLY 105 -6.735 -21.116 20.407 735 HA2 GLY 105 1HA GLY 105 -5.334 -20.871 22.748 736 HA3 GLY 105 2HA GLY 105 -5.605 -19.534 21.640 Start of MODEL 17 1 H1 GLY 1 H GLY 1 22.520 11.760 -16.235 2 HA2 GLY 1 1HA GLY 1 22.000 9.810 -15.144 3 HA3 GLY 1 2HA GLY 1 23.656 9.822 -14.556 4 H SER 2 H SER 2 24.075 11.296 -12.673 5 HA SER 2 HA SER 2 22.022 10.821 -10.682 6 HB2 SER 2 1HB SER 2 24.348 10.312 -10.120 7 HB3 SER 2 2HB SER 2 24.805 11.989 -10.421 8 HG SER 2 HG SER 2 24.371 11.326 -8.158 9 H SER 3 H SER 3 20.541 12.266 -10.137 10 HA SER 3 HA SER 3 21.185 15.123 -10.346 11 HB2 SER 3 1HB SER 3 19.189 15.654 -11.480 12 HB3 SER 3 2HB SER 3 19.784 14.218 -12.312 13 HG SER 3 HG SER 3 17.581 14.522 -10.627 14 H GLY 4 H GLY 4 20.876 16.092 -8.459 15 HA2 GLY 4 1HA GLY 4 20.061 15.050 -6.116 16 HA3 GLY 4 2HA GLY 4 19.788 16.739 -6.517 17 H SER 5 H SER 5 18.331 13.864 -5.649 18 HA SER 5 HA SER 5 15.788 14.365 -6.940 19 HB2 SER 5 1HB SER 5 16.467 12.331 -4.804 20 HB3 SER 5 2HB SER 5 15.033 12.342 -5.829 21 HG SER 5 HG SER 5 16.195 11.176 -7.127 22 H SER 6 H SER 6 15.191 16.388 -6.119 23 HA SER 6 HA SER 6 14.292 16.326 -3.317 24 HB2 SER 6 1HB SER 6 16.204 17.778 -3.342 25 HB3 SER 6 2HB SER 6 15.621 18.613 -4.782 26 HG SER 6 HG SER 6 14.102 18.566 -2.406 27 H GLY 7 H GLY 7 12.262 17.067 -2.927 28 HA2 GLY 7 1HA GLY 7 10.521 18.715 -3.686 29 HA3 GLY 7 2HA GLY 7 10.749 18.015 -5.282 30 H ARG 8 H ARG 8 10.619 15.437 -5.096 31 HA ARG 8 HA ARG 8 7.983 14.931 -3.921 32 HB2 ARG 8 1HB ARG 8 8.335 12.760 -5.403 33 HB3 ARG 8 2HB ARG 8 7.783 14.276 -6.104 34 HG2 ARG 8 1HG ARG 8 9.902 14.752 -7.006 35 HG3 ARG 8 2HG ARG 8 10.684 13.513 -6.023 36 HD2 ARG 8 1HD ARG 8 9.042 11.914 -7.300 37 HD3 ARG 8 2HD ARG 8 9.018 13.224 -8.479 38 HE ARG 8 HE ARG 8 11.076 12.537 -9.159 39 HH11 ARG 8 1HH1 ARG 8 10.603 11.486 -5.874 40 HH12 ARG 8 2HH1 ARG 8 12.111 10.636 -5.791 41 HH21 ARG 8 1HH2 ARG 8 13.063 11.421 -9.063 42 HH22 ARG 8 2HH2 ARG 8 13.509 10.600 -7.605 43 H SER 9 H SER 9 8.085 14.127 -1.925 44 HA SER 9 HA SER 9 10.210 12.207 -1.271 45 HB2 SER 9 1HB SER 9 9.606 14.391 0.111 46 HB3 SER 9 2HB SER 9 8.393 13.325 0.820 47 HG SER 9 HG SER 9 10.047 11.926 1.440 48 HA PRO 10 HA PRO 10 7.133 9.010 -1.535 49 HB2 PRO 10 1HB PRO 10 8.732 6.995 -0.666 50 HB3 PRO 10 2HB PRO 10 8.830 7.663 -2.300 51 HG2 PRO 10 1HG PRO 10 10.541 8.240 0.088 52 HG3 PRO 10 2HG PRO 10 11.024 7.983 -1.599 53 HD2 PRO 10 1HD PRO 10 10.828 10.450 -0.499 54 HD3 PRO 10 2HD PRO 10 10.486 10.138 -2.213 55 HA PRO 11 HA PRO 11 5.533 8.541 2.537 56 HB2 PRO 11 1HB PRO 11 4.327 6.116 2.354 57 HB3 PRO 11 2HB PRO 11 3.689 7.568 1.573 58 HG2 PRO 11 1HG PRO 11 5.313 5.344 0.399 59 HG3 PRO 11 2HG PRO 11 3.897 6.172 -0.275 60 HD2 PRO 11 1HD PRO 11 6.428 6.755 -1.042 61 HD3 PRO 11 2HD PRO 11 5.138 7.974 -0.998 62 H SER 12 H SER 12 6.082 7.723 4.510 63 HA SER 12 HA SER 12 7.878 5.395 4.583 64 HB2 SER 12 1HB SER 12 8.276 7.920 6.204 65 HB3 SER 12 2HB SER 12 9.317 6.497 6.199 66 HG SER 12 HG SER 12 9.919 8.389 4.825 67 H ASN 13 H ASN 13 8.234 4.811 7.047 68 HA ASN 13 HA ASN 13 7.321 3.925 8.931 69 HB2 ASN 13 1HB ASN 13 5.576 6.362 8.596 70 HB3 ASN 13 2HB ASN 13 5.386 5.254 9.952 71 HD21 ASN 13 1HD2 ASN 13 6.400 8.125 9.504 72 HD22 ASN 13 2HD2 ASN 13 7.849 8.179 10.443 73 H LEU 14 H LEU 14 6.596 2.691 6.585 74 HA LEU 14 HA LEU 14 3.820 2.354 6.228 75 HB2 LEU 14 1HB LEU 14 6.270 0.896 5.403 76 HB3 LEU 14 2HB LEU 14 4.735 0.036 5.299 77 HG LEU 14 HG LEU 14 5.314 2.668 3.943 78 HD11 LEU 14 1HD1 LEU 14 6.356 0.200 3.274 79 HD12 LEU 14 2HD1 LEU 14 6.191 1.592 2.205 80 HD13 LEU 14 3HD1 LEU 14 4.936 0.353 2.238 81 HD21 LEU 14 3HD2 LEU 14 3.272 2.159 2.687 82 HD22 LEU 14 1HD2 LEU 14 2.955 2.305 4.416 83 HD23 LEU 14 2HD2 LEU 14 3.034 0.711 3.666 84 H ALA 15 H ALA 15 2.352 1.174 7.284 85 HA ALA 15 HA ALA 15 3.281 -0.891 9.161 86 HB1 ALA 15 3HB ALA 15 2.558 1.451 10.141 87 HB2 ALA 15 1HB ALA 15 0.943 0.770 9.942 88 HB3 ALA 15 2HB ALA 15 2.131 -0.057 10.949 89 H LEU 16 H LEU 16 2.555 -2.701 8.214 90 HA LEU 16 HA LEU 16 -0.097 -2.738 6.992 91 HB2 LEU 16 1HB LEU 16 2.343 -4.405 6.816 92 HB3 LEU 16 2HB LEU 16 0.800 -5.225 6.589 93 HG LEU 16 HG LEU 16 0.294 -3.562 4.775 94 HD11 LEU 16 1HD1 LEU 16 1.708 -1.752 5.225 95 HD12 LEU 16 2HD1 LEU 16 2.397 -2.510 3.790 96 HD13 LEU 16 3HD1 LEU 16 3.131 -2.784 5.369 97 HD21 LEU 16 3HD2 LEU 16 1.915 -4.621 3.155 98 HD22 LEU 16 1HD2 LEU 16 0.954 -5.739 4.123 99 HD23 LEU 16 2HD2 LEU 16 2.639 -5.434 4.544 100 H ALA 17 H ALA 17 -1.750 -3.175 8.287 101 HA ALA 17 HA ALA 17 -1.364 -5.144 10.446 102 HB1 ALA 17 3HB ALA 17 -2.232 -2.546 10.671 103 HB2 ALA 17 1HB ALA 17 -3.735 -3.469 10.676 104 HB3 ALA 17 2HB ALA 17 -2.477 -3.824 11.861 105 H SER 18 H SER 18 -2.473 -6.985 10.333 106 HA SER 18 HA SER 18 -4.583 -7.210 8.302 107 HB2 SER 18 1HB SER 18 -2.719 -8.762 8.014 108 HB3 SER 18 2HB SER 18 -2.934 -9.358 9.659 109 HG SER 18 HG SER 18 -4.775 -9.586 7.510 110 H GLU 19 H GLU 19 -6.557 -6.937 9.106 111 HA GLU 19 HA GLU 19 -7.145 -7.946 11.803 112 HB2 GLU 19 1HB GLU 19 -8.837 -6.344 11.988 113 HB3 GLU 19 2HB GLU 19 -7.553 -5.493 11.141 114 HG2 GLU 19 1HG GLU 19 -8.698 -5.913 9.012 115 HG3 GLU 19 2HG GLU 19 -9.999 -6.717 9.887 116 H THR 20 H THR 20 -7.869 -8.347 8.456 117 HA THR 20 HA THR 20 -9.590 -10.612 9.104 118 HB THR 20 HB THR 20 -11.328 -9.096 8.768 119 HG1 THR 20 1HG THR 20 -11.940 -9.526 6.429 120 HG21 THR 20 3HG2 THR 20 -11.370 -7.315 7.194 121 HG22 THR 20 1HG2 THR 20 -9.959 -7.941 6.344 122 HG23 THR 20 2HG2 THR 20 -9.785 -7.264 7.964 123 HA PRO 21 HA PRO 21 -7.331 -12.507 5.838 124 HB2 PRO 21 1HB PRO 21 -9.066 -14.488 5.178 125 HB3 PRO 21 2HB PRO 21 -8.103 -14.509 6.660 126 HG2 PRO 21 1HG PRO 21 -10.963 -13.715 6.271 127 HG3 PRO 21 2HG PRO 21 -10.239 -14.692 7.562 128 HD2 PRO 21 1HD PRO 21 -10.855 -12.075 7.885 129 HD3 PRO 21 2HD PRO 21 -9.481 -12.841 8.708 130 H ASP 22 H ASP 22 -10.006 -10.640 5.358 131 HA ASP 22 HA ASP 22 -9.935 -11.063 2.441 132 HB2 ASP 22 1HB ASP 22 -12.129 -11.494 3.869 133 HB3 ASP 22 2HB ASP 22 -12.283 -9.745 3.729 134 H SER 23 H SER 23 -9.081 -9.017 4.903 135 HA SER 23 HA SER 23 -8.680 -6.818 3.039 136 HB2 SER 23 1HB SER 23 -9.788 -6.059 5.706 137 HB3 SER 23 2HB SER 23 -9.891 -5.210 4.163 138 HG SER 23 HG SER 23 -11.572 -6.420 3.585 139 H LEU 24 H LEU 24 -6.952 -5.489 3.561 140 HA LEU 24 HA LEU 24 -5.454 -6.166 5.998 141 HB2 LEU 24 1HB LEU 24 -4.528 -7.331 3.999 142 HB3 LEU 24 2HB LEU 24 -4.217 -5.751 3.281 143 HG LEU 24 HG LEU 24 -2.805 -5.351 5.433 144 HD11 LEU 24 1HD1 LEU 24 -2.473 -7.051 6.818 145 HD12 LEU 24 2HD1 LEU 24 -2.003 -8.109 5.488 146 HD13 LEU 24 3HD1 LEU 24 -3.702 -7.953 5.931 147 HD21 LEU 24 3HD2 LEU 24 -0.989 -6.916 4.184 148 HD22 LEU 24 1HD2 LEU 24 -1.457 -5.308 3.632 149 HD23 LEU 24 2HD2 LEU 24 -2.198 -6.737 2.911 150 H GLN 25 H GLN 25 -5.238 -4.396 7.181 151 HA GLN 25 HA GLN 25 -5.608 -1.776 6.091 152 HB2 GLN 25 1HB GLN 25 -6.150 -2.693 8.481 153 HB3 GLN 25 2HB GLN 25 -4.478 -2.269 8.821 154 HG2 GLN 25 1HG GLN 25 -5.681 -0.404 9.496 155 HG3 GLN 25 2HG GLN 25 -5.066 0.041 7.906 156 HE21 GLN 25 1HE2 GLN 25 -7.828 -1.925 8.940 157 HE22 GLN 25 2HE2 GLN 25 -9.020 -1.009 8.088 158 H VAL 26 H VAL 26 -4.125 -0.190 5.701 159 HA VAL 26 HA VAL 26 -1.323 -0.625 6.343 160 HB VAL 26 HB VAL 26 -1.324 -1.721 4.246 161 HG11 VAL 26 1HG1 VAL 26 -3.046 0.558 3.306 162 HG12 VAL 26 2HG1 VAL 26 -2.235 -0.545 2.192 163 HG13 VAL 26 3HG1 VAL 26 -3.429 -1.163 3.335 164 HG21 VAL 26 3HG2 VAL 26 0.482 -0.639 3.524 165 HG22 VAL 26 1HG2 VAL 26 -0.485 0.737 2.992 166 HG23 VAL 26 2HG2 VAL 26 0.084 0.651 4.659 167 H SER 27 H SER 27 -0.561 1.228 7.098 168 HA SER 27 HA SER 27 -1.619 3.746 5.992 169 HB2 SER 27 1HB SER 27 -0.725 3.411 8.855 170 HB3 SER 27 2HB SER 27 -1.634 4.747 8.149 171 HG SER 27 HG SER 27 -2.526 2.092 8.591 172 H TRP 28 H TRP 28 -0.084 5.629 6.763 173 HA TRP 28 HA TRP 28 2.685 5.016 7.025 174 HB2 TRP 28 1HB TRP 28 3.372 5.983 4.811 175 HB3 TRP 28 2HB TRP 28 2.570 4.419 4.704 176 HD1 TRP 28 HD TRP 28 1.965 8.141 3.969 177 HE1 TRP 28 1HE TRP 28 0.022 8.332 2.292 178 HE3 TRP 28 3HE TRP 28 0.528 3.236 3.826 179 HZ2 TRP 28 2HZ TRP 28 -1.870 6.630 1.070 180 HZ3 TRP 28 3HZ TRP 28 -1.357 2.601 2.378 181 HH2 TRP 28 HH TRP 28 -2.530 4.264 1.030 182 H THR 29 H THR 29 4.000 7.141 6.439 183 HA THR 29 HA THR 29 2.571 9.317 7.789 184 HB THR 29 HB THR 29 5.533 8.890 7.351 185 HG1 THR 29 1HG THR 29 4.016 8.891 9.763 186 HG21 THR 29 3HG2 THR 29 5.095 11.257 7.342 187 HG22 THR 29 1HG2 THR 29 5.786 10.824 8.905 188 HG23 THR 29 2HG2 THR 29 4.052 11.114 8.757 189 HA PRO 30 HA PRO 30 2.309 11.305 3.795 190 HB2 PRO 30 1HB PRO 30 0.981 13.498 4.686 191 HB3 PRO 30 2HB PRO 30 0.190 11.941 4.415 192 HG2 PRO 30 1HG PRO 30 1.161 13.152 6.975 193 HG3 PRO 30 2HG PRO 30 -0.352 12.287 6.649 194 HD2 PRO 30 1HD PRO 30 1.768 11.110 7.853 195 HD3 PRO 30 2HD PRO 30 0.651 10.217 6.801 196 HA PRO 31 HA PRO 31 5.873 13.933 4.113 197 HB2 PRO 31 1HB PRO 31 5.814 14.881 1.569 198 HB3 PRO 31 2HB PRO 31 6.366 13.251 1.975 199 HG2 PRO 31 1HG PRO 31 3.705 14.147 0.936 200 HG3 PRO 31 2HG PRO 31 4.678 12.742 0.459 201 HD2 PRO 31 1HD PRO 31 2.561 12.547 2.136 202 HD3 PRO 31 2HD PRO 31 3.981 11.489 2.264 203 H LEU 32 H LEU 32 6.349 16.286 3.130 204 HA LEU 32 HA LEU 32 4.281 17.993 4.281 205 HB2 LEU 32 1HB LEU 32 6.381 18.493 5.165 206 HB3 LEU 32 2HB LEU 32 7.173 18.368 3.595 207 HG LEU 32 HG LEU 32 5.856 20.474 2.970 208 HD11 LEU 32 1HD1 LEU 32 4.368 20.219 5.026 209 HD12 LEU 32 2HD1 LEU 32 4.985 21.831 4.666 210 HD13 LEU 32 3HD1 LEU 32 5.728 20.867 5.942 211 HD21 LEU 32 3HD2 LEU 32 8.254 20.474 3.337 212 HD22 LEU 32 1HD2 LEU 32 8.009 20.586 5.080 213 HD23 LEU 32 2HD2 LEU 32 7.532 21.924 4.035 214 H GLY 33 H GLY 33 5.928 17.382 1.240 215 HA2 GLY 33 1HA GLY 33 4.824 19.648 -0.121 216 HA3 GLY 33 2HA GLY 33 5.636 18.279 -0.866 217 H ARG 34 H ARG 34 2.927 19.879 -1.112 218 HA ARG 34 HA ARG 34 0.764 18.237 -0.733 219 HB2 ARG 34 1HB ARG 34 -0.390 19.694 -2.043 220 HB3 ARG 34 2HB ARG 34 1.078 20.646 -1.863 221 HG2 ARG 34 1HG ARG 34 0.504 18.806 -4.176 222 HG3 ARG 34 2HG ARG 34 0.241 20.552 -4.183 223 HD2 ARG 34 1HD ARG 34 2.923 19.485 -3.434 224 HD3 ARG 34 2HD ARG 34 2.458 19.518 -5.134 225 HE ARG 34 HE ARG 34 1.902 22.026 -4.315 226 HH11 ARG 34 1HH1 ARG 34 4.725 20.010 -4.024 227 HH12 ARG 34 2HH1 ARG 34 5.836 21.339 -4.039 228 HH21 ARG 34 1HH2 ARG 34 3.354 23.784 -4.336 229 HH22 ARG 34 2HH2 ARG 34 5.055 23.486 -4.216 230 H VAL 35 H VAL 35 0.008 16.398 -1.586 231 HA VAL 35 HA VAL 35 1.319 15.355 -4.012 232 HB VAL 35 HB VAL 35 2.166 13.932 -2.388 233 HG11 VAL 35 1HG1 VAL 35 0.244 12.939 -0.736 234 HG12 VAL 35 2HG1 VAL 35 1.317 14.283 -0.340 235 HG13 VAL 35 3HG1 VAL 35 -0.304 14.600 -0.959 236 HG21 VAL 35 3HG2 VAL 35 0.956 12.725 -4.203 237 HG22 VAL 35 1HG2 VAL 35 1.111 11.803 -2.708 238 HG23 VAL 35 2HG2 VAL 35 -0.423 12.569 -3.116 239 H LEU 36 H LEU 36 -0.015 14.920 -5.637 240 HA LEU 36 HA LEU 36 -2.729 15.450 -5.630 241 HB2 LEU 36 1HB LEU 36 -1.370 13.458 -7.432 242 HB3 LEU 36 2HB LEU 36 -2.835 14.379 -7.770 243 HG LEU 36 HG LEU 36 -0.006 15.406 -7.635 244 HD11 LEU 36 1HD1 LEU 36 -1.079 14.237 -9.709 245 HD12 LEU 36 2HD1 LEU 36 -0.146 15.720 -9.906 246 HD13 LEU 36 3HD1 LEU 36 -1.908 15.782 -9.900 247 HD21 LEU 36 3HD2 LEU 36 -1.460 17.522 -8.464 248 HD22 LEU 36 1HD2 LEU 36 -0.953 17.268 -6.794 249 HD23 LEU 36 2HD2 LEU 36 -2.577 16.802 -7.302 250 H HIS 37 H HIS 37 -1.281 12.190 -5.788 251 HA HIS 37 HA HIS 37 -3.299 11.185 -3.960 252 HB2 HIS 37 1HB HIS 37 -3.902 9.326 -5.557 253 HB3 HIS 37 2HB HIS 37 -4.510 10.918 -6.002 254 HD1 HIS 37 1HD HIS 37 -2.588 8.113 -7.288 255 HD2 HIS 37 2HD HIS 37 -2.922 12.170 -8.122 256 HE1 HIS 37 1HE HIS 37 -1.589 8.414 -9.577 257 HE2 HIS 37 2HE HIS 37 -1.725 10.889 -10.024 258 H TYR 38 H TYR 38 -2.956 8.617 -3.893 259 HA TYR 38 HA TYR 38 -0.046 8.167 -3.759 260 HB2 TYR 38 1HB TYR 38 -2.201 7.327 -1.820 261 HB3 TYR 38 2HB TYR 38 -0.579 6.644 -1.805 262 HD1 TYR 38 2HD TYR 38 1.275 8.702 -2.014 263 HD2 TYR 38 1HD TYR 38 -2.553 8.883 -0.167 264 HE1 TYR 38 2HE TYR 38 2.049 10.564 -0.605 265 HE2 TYR 38 1HE TYR 38 -1.790 10.746 1.246 266 HH TYR 38 HH TYR 38 0.448 11.598 2.118 267 H TRP 39 H TRP 39 0.135 7.057 -5.677 268 HA TRP 39 HA TRP 39 -1.627 5.045 -6.560 269 HB2 TRP 39 1HB TRP 39 0.044 6.274 -7.980 270 HB3 TRP 39 2HB TRP 39 1.308 5.293 -7.242 271 HD1 TRP 39 HD TRP 39 1.967 3.292 -8.675 272 HE1 TRP 39 1HE TRP 39 0.804 1.793 -10.415 273 HE3 TRP 39 3HE TRP 39 -2.698 5.381 -8.560 274 HZ2 TRP 39 2HZ TRP 39 -1.751 1.531 -11.584 275 HZ3 TRP 39 3HZ TRP 39 -4.444 4.448 -10.020 276 HH2 TRP 39 HH TRP 39 -3.979 2.563 -11.501 277 H LEU 40 H LEU 40 -2.065 3.476 -5.074 278 HA LEU 40 HA LEU 40 0.129 2.079 -3.764 279 HB2 LEU 40 1HB LEU 40 -2.229 2.786 -2.795 280 HB3 LEU 40 2HB LEU 40 -2.707 1.231 -3.472 281 HG LEU 40 HG LEU 40 -0.329 1.313 -1.684 282 HD11 LEU 40 1HD1 LEU 40 -2.981 1.005 -0.397 283 HD12 LEU 40 2HD1 LEU 40 -2.436 2.641 -0.765 284 HD13 LEU 40 3HD1 LEU 40 -1.458 1.597 0.266 285 HD21 LEU 40 3HD2 LEU 40 -0.759 -0.805 -2.554 286 HD22 LEU 40 1HD2 LEU 40 -2.506 -0.622 -2.393 287 HD23 LEU 40 2HD2 LEU 40 -1.507 -0.854 -0.957 288 H THR 41 H THR 41 0.808 0.067 -4.253 289 HA THR 41 HA THR 41 -0.717 -1.485 -6.228 290 HB THR 41 HB THR 41 1.522 -2.173 -7.229 291 HG1 THR 41 1HG THR 41 3.279 -0.968 -6.757 292 HG21 THR 41 3HG2 THR 41 0.746 -0.857 -8.852 293 HG22 THR 41 1HG2 THR 41 1.583 0.500 -8.100 294 HG23 THR 41 2HG2 THR 41 -0.096 0.158 -7.681 295 H TYR 42 H TYR 42 -1.357 -3.143 -4.968 296 HA TYR 42 HA TYR 42 0.645 -4.464 -3.270 297 HB2 TYR 42 1HB TYR 42 -1.161 -5.374 -2.001 298 HB3 TYR 42 2HB TYR 42 -1.524 -3.669 -2.249 299 HD1 TYR 42 1HD TYR 42 -3.213 -3.028 -3.999 300 HD2 TYR 42 2HD TYR 42 -2.628 -7.059 -2.770 301 HE1 TYR 42 1HE TYR 42 -5.402 -3.628 -4.947 302 HE2 TYR 42 2HE TYR 42 -4.815 -7.670 -3.716 303 HH TYR 42 HH TYR 42 -6.380 -6.835 -5.425 304 H ALA 43 H ALA 43 1.102 -6.625 -3.475 305 HA ALA 43 HA ALA 43 -0.362 -8.354 -5.225 306 HB1 ALA 43 3HB ALA 43 1.540 -6.746 -6.465 307 HB2 ALA 43 1HB ALA 43 2.324 -8.316 -6.285 308 HB3 ALA 43 2HB ALA 43 0.778 -8.192 -7.127 309 HA PRO 44 HA PRO 44 1.573 -11.517 -2.880 310 HB2 PRO 44 1HB PRO 44 2.024 -13.479 -4.702 311 HB3 PRO 44 2HB PRO 44 0.408 -13.058 -4.123 312 HG2 PRO 44 1HG PRO 44 1.783 -12.250 -6.656 313 HG3 PRO 44 2HG PRO 44 0.107 -12.773 -6.411 314 HD2 PRO 44 1HD PRO 44 0.797 -10.167 -6.671 315 HD3 PRO 44 2HD PRO 44 -0.563 -10.699 -5.661 316 H ALA 45 H ALA 45 3.540 -10.800 -2.156 317 HA ALA 45 HA ALA 45 5.803 -10.073 -3.379 318 HB1 ALA 45 3HB ALA 45 6.546 -11.949 -1.322 319 HB2 ALA 45 1HB ALA 45 6.659 -10.189 -1.333 320 HB3 ALA 45 2HB ALA 45 5.165 -10.975 -0.819 321 H SER 46 H SER 46 7.760 -11.088 -4.068 322 HA SER 46 HA SER 46 8.984 -12.584 -5.269 323 HB2 SER 46 1HB SER 46 7.324 -14.365 -3.537 324 HB3 SER 46 2HB SER 46 8.232 -15.094 -4.861 325 HG SER 46 HG SER 46 9.516 -15.065 -3.024 326 H GLY 47 H GLY 47 6.744 -11.340 -6.493 327 HA2 GLY 47 1HA GLY 47 5.440 -11.468 -8.380 328 HA3 GLY 47 2HA GLY 47 6.595 -12.681 -8.913 329 H LEU 48 H LEU 48 5.857 -14.674 -9.244 330 HA LEU 48 HA LEU 48 4.267 -16.304 -9.542 331 HB2 LEU 48 1HB LEU 48 4.076 -15.931 -6.557 332 HB3 LEU 48 2HB LEU 48 3.615 -17.374 -7.459 333 HG LEU 48 HG LEU 48 6.439 -16.350 -7.461 334 HD11 LEU 48 1HD1 LEU 48 5.043 -18.028 -5.407 335 HD12 LEU 48 2HD1 LEU 48 6.113 -16.646 -5.173 336 HD13 LEU 48 3HD1 LEU 48 6.773 -18.191 -5.709 337 HD21 LEU 48 3HD2 LEU 48 6.832 -18.122 -8.739 338 HD22 LEU 48 1HD2 LEU 48 5.093 -18.405 -8.810 339 HD23 LEU 48 2HD2 LEU 48 6.065 -19.195 -7.568 340 H GLY 49 H GLY 49 3.211 -13.641 -9.870 341 HA2 GLY 49 1HA GLY 49 0.499 -14.161 -10.089 342 HA3 GLY 49 2HA GLY 49 0.716 -13.379 -8.530 343 HA PRO 50 HA PRO 50 0.424 -10.281 -12.120 344 HB2 PRO 50 1HB PRO 50 -2.065 -9.332 -11.594 345 HB3 PRO 50 2HB PRO 50 -1.765 -10.693 -12.682 346 HG2 PRO 50 1HG PRO 50 -2.634 -10.714 -9.817 347 HG3 PRO 50 2HG PRO 50 -3.223 -11.694 -11.172 348 HD2 PRO 50 1HD PRO 50 -1.460 -12.641 -9.348 349 HD3 PRO 50 2HD PRO 50 -1.451 -13.162 -11.045 350 H GLU 51 H GLU 51 -0.216 -7.879 -11.798 351 HA GLU 51 HA GLU 51 0.425 -7.066 -9.040 352 HB2 GLU 51 1HB GLU 51 2.333 -6.809 -10.668 353 HB3 GLU 51 2HB GLU 51 1.350 -5.635 -11.532 354 HG2 GLU 51 1HG GLU 51 1.203 -4.375 -9.328 355 HG3 GLU 51 2HG GLU 51 2.501 -5.430 -8.772 356 H LYS 52 H LYS 52 -1.361 -6.186 -8.229 357 HA LYS 52 HA LYS 52 -3.211 -4.737 -9.940 358 HB2 LYS 52 1HB LYS 52 -3.318 -5.521 -7.025 359 HB3 LYS 52 2HB LYS 52 -4.575 -4.588 -7.827 360 HG2 LYS 52 1HG LYS 52 -3.722 -7.242 -8.910 361 HG3 LYS 52 2HG LYS 52 -4.872 -7.133 -7.576 362 HD2 LYS 52 1HD LYS 52 -6.497 -6.157 -8.880 363 HD3 LYS 52 2HD LYS 52 -5.328 -5.477 -10.014 364 HE2 LYS 52 1HE LYS 52 -5.631 -8.440 -9.807 365 HE3 LYS 52 2HE LYS 52 -6.826 -7.507 -10.707 366 HZ1 LYS 52 3HZ LYS 52 -3.942 -7.175 -11.234 367 HZ2 LYS 52 1HZ LYS 52 -5.253 -6.825 -12.245 368 HZ3 LYS 52 2HZ LYS 52 -4.812 -8.433 -11.956 369 H SER 53 H SER 53 -4.243 -2.744 -8.656 370 HA SER 53 HA SER 53 -2.435 -1.113 -7.181 371 HB2 SER 53 1HB SER 53 -2.101 0.647 -8.878 372 HB3 SER 53 2HB SER 53 -1.366 -0.878 -9.375 373 HG SER 53 HG SER 53 -2.488 -0.532 -11.127 374 H VAL 54 H VAL 54 -3.690 0.065 -5.909 375 HA VAL 54 HA VAL 54 -6.367 0.823 -6.881 376 HB VAL 54 HB VAL 54 -7.092 0.874 -4.541 377 HG11 VAL 54 1HG1 VAL 54 -7.655 -1.166 -5.393 378 HG12 VAL 54 2HG1 VAL 54 -5.985 -1.597 -5.765 379 HG13 VAL 54 3HG1 VAL 54 -6.571 -1.684 -4.103 380 HG21 VAL 54 3HG2 VAL 54 -4.276 -0.042 -3.973 381 HG22 VAL 54 1HG2 VAL 54 -5.054 1.442 -3.421 382 HG23 VAL 54 2HG2 VAL 54 -5.596 -0.120 -2.805 383 H SER 55 H SER 55 -7.113 2.901 -6.542 384 HA SER 55 HA SER 55 -5.042 4.900 -6.161 385 HB2 SER 55 1HB SER 55 -6.432 6.379 -7.264 386 HB3 SER 55 2HB SER 55 -6.997 4.853 -7.943 387 HG SER 55 HG SER 55 -8.478 5.016 -5.936 388 H VAL 56 H VAL 56 -5.174 6.616 -4.664 389 HA VAL 56 HA VAL 56 -7.150 6.415 -2.527 390 HB VAL 56 HB VAL 56 -4.175 6.250 -2.029 391 HG11 VAL 56 1HG1 VAL 56 -5.462 7.788 -0.486 392 HG12 VAL 56 2HG1 VAL 56 -6.339 6.356 0.059 393 HG13 VAL 56 3HG1 VAL 56 -4.593 6.463 0.288 394 HG21 VAL 56 3HG2 VAL 56 -5.208 4.222 -0.639 395 HG22 VAL 56 1HG2 VAL 56 -6.423 4.324 -1.912 396 HG23 VAL 56 2HG2 VAL 56 -4.729 4.065 -2.329 397 HA PRO 57 HA PRO 57 -6.888 10.808 -2.931 398 HB2 PRO 57 1HB PRO 57 -8.308 11.460 -0.711 399 HB3 PRO 57 2HB PRO 57 -9.061 10.843 -2.186 400 HG2 PRO 57 1HG PRO 57 -8.359 9.387 0.333 401 HG3 PRO 57 2HG PRO 57 -9.828 9.273 -0.652 402 HD2 PRO 57 1HD PRO 57 -7.836 7.444 -0.790 403 HD3 PRO 57 2HD PRO 57 -8.838 7.872 -2.192 404 H GLY 58 H GLY 58 -4.929 11.685 -2.567 405 HA2 GLY 58 1HA GLY 58 -3.083 11.289 -0.664 406 HA3 GLY 58 2HA GLY 58 -3.375 12.889 -1.329 407 H ALA 59 H ALA 59 -5.998 13.220 -0.220 408 HA ALA 59 HA ALA 59 -5.584 14.597 2.055 409 HB1 ALA 59 3HB ALA 59 -7.952 13.050 1.107 410 HB2 ALA 59 1HB ALA 59 -7.992 13.807 2.700 411 HB3 ALA 59 2HB ALA 59 -7.732 14.793 1.261 412 H ARG 60 H ARG 60 -6.279 11.114 1.920 413 HA ARG 60 HA ARG 60 -5.705 10.895 4.781 414 HB2 ARG 60 1HB ARG 60 -6.632 8.661 4.637 415 HB3 ARG 60 2HB ARG 60 -7.740 9.805 3.891 416 HG2 ARG 60 1HG ARG 60 -6.642 9.145 1.678 417 HG3 ARG 60 2HG ARG 60 -5.973 7.778 2.573 418 HD2 ARG 60 1HD ARG 60 -8.908 8.403 2.616 419 HD3 ARG 60 2HD ARG 60 -8.190 7.439 1.326 420 HE ARG 60 HE ARG 60 -7.530 6.497 3.955 421 HH11 ARG 60 1HH1 ARG 60 -9.892 6.401 1.399 422 HH12 ARG 60 2HH1 ARG 60 -10.537 4.866 1.876 423 HH21 ARG 60 1HH2 ARG 60 -8.370 4.475 4.592 424 HH22 ARG 60 2HH2 ARG 60 -9.671 3.771 3.693 425 H SER 61 H SER 61 -4.259 9.228 5.555 426 HA SER 61 HA SER 61 -2.094 8.638 3.642 427 HB2 SER 61 1HB SER 61 -0.519 8.789 5.522 428 HB3 SER 61 2HB SER 61 -1.414 10.297 5.330 429 HG SER 61 HG SER 61 -2.887 9.068 6.963 430 H HIS 62 H HIS 62 -4.494 7.052 4.456 431 HA HIS 62 HA HIS 62 -3.090 4.561 4.911 432 HB2 HIS 62 1HB HIS 62 -4.273 3.889 6.864 433 HB3 HIS 62 2HB HIS 62 -3.643 5.499 7.198 434 HD1 HIS 62 1HD HIS 62 -6.548 3.638 7.761 435 HD2 HIS 62 2HD HIS 62 -5.864 7.497 6.382 436 HE1 HIS 62 1HE HIS 62 -8.698 4.882 8.152 437 HE2 HIS 62 2HE HIS 62 -8.288 7.191 7.232 438 H VAL 63 H VAL 63 -4.310 2.717 4.337 439 HA VAL 63 HA VAL 63 -7.029 3.004 3.418 440 HB VAL 63 HB VAL 63 -5.412 3.815 1.538 441 HG11 VAL 63 1HG1 VAL 63 -4.661 1.988 0.067 442 HG12 VAL 63 2HG1 VAL 63 -3.861 1.954 1.639 443 HG13 VAL 63 3HG1 VAL 63 -5.165 0.819 1.287 444 HG21 VAL 63 3HG2 VAL 63 -7.854 3.388 1.339 445 HG22 VAL 63 1HG2 VAL 63 -6.953 3.039 -0.137 446 HG23 VAL 63 2HG2 VAL 63 -7.487 1.719 0.904 447 H THR 64 H THR 64 -7.924 0.947 2.634 448 HA THR 64 HA THR 64 -6.437 -1.371 3.686 449 HB THR 64 HB THR 64 -9.440 -1.243 3.684 450 HG1 THR 64 1HG THR 64 -9.236 -0.556 5.899 451 HG21 THR 64 3HG2 THR 64 -7.626 -2.703 5.583 452 HG22 THR 64 1HG2 THR 64 -8.066 -3.387 4.019 453 HG23 THR 64 2HG2 THR 64 -9.318 -3.024 5.207 454 H LEU 65 H LEU 65 -6.423 -3.220 2.484 455 HA LEU 65 HA LEU 65 -7.566 -3.010 -0.211 456 HB2 LEU 65 1HB LEU 65 -5.459 -4.905 0.814 457 HB3 LEU 65 2HB LEU 65 -5.963 -4.702 -0.863 458 HG LEU 65 HG LEU 65 -4.737 -2.444 0.693 459 HD11 LEU 65 1HD1 LEU 65 -3.263 -4.490 -0.959 460 HD12 LEU 65 2HD1 LEU 65 -3.208 -4.367 0.799 461 HD13 LEU 65 3HD1 LEU 65 -2.572 -3.057 -0.197 462 HD21 LEU 65 3HD2 LEU 65 -5.691 -2.884 -2.005 463 HD22 LEU 65 1HD2 LEU 65 -4.007 -2.358 -1.982 464 HD23 LEU 65 2HD2 LEU 65 -5.247 -1.381 -1.195 465 HA PRO 66 HA PRO 66 -10.506 -5.991 1.547 466 HB2 PRO 66 1HB PRO 66 -12.408 -5.534 -0.336 467 HB3 PRO 66 2HB PRO 66 -12.187 -4.496 1.078 468 HG2 PRO 66 1HG PRO 66 -11.230 -4.101 -1.731 469 HG3 PRO 66 2HG PRO 66 -11.955 -2.924 -0.620 470 HD2 PRO 66 1HD PRO 66 -9.285 -3.067 -1.052 471 HD3 PRO 66 2HD PRO 66 -9.975 -2.583 0.511 472 H ASP 67 H ASP 67 -11.899 -7.685 0.277 473 HA ASP 67 HA ASP 67 -11.794 -9.672 -0.843 474 HB2 ASP 67 1HB ASP 67 -10.918 -9.257 -3.323 475 HB3 ASP 67 2HB ASP 67 -12.500 -8.695 -2.791 476 H LEU 68 H LEU 68 -9.761 -9.645 0.839 477 HA LEU 68 HA LEU 68 -7.374 -10.400 -0.705 478 HB2 LEU 68 1HB LEU 68 -7.791 -9.273 2.016 479 HB3 LEU 68 2HB LEU 68 -6.398 -10.319 1.749 480 HG LEU 68 HG LEU 68 -6.994 -7.719 0.338 481 HD11 LEU 68 1HD1 LEU 68 -4.734 -7.176 1.443 482 HD12 LEU 68 2HD1 LEU 68 -5.093 -8.538 2.503 483 HD13 LEU 68 3HD1 LEU 68 -6.186 -7.155 2.443 484 HD21 LEU 68 3HD2 LEU 68 -4.875 -9.802 -0.092 485 HD22 LEU 68 1HD2 LEU 68 -4.632 -8.116 -0.548 486 HD23 LEU 68 2HD2 LEU 68 -5.940 -9.046 -1.278 487 H GLN 69 H GLN 69 -6.019 -12.100 0.622 488 HA GLN 69 HA GLN 69 -7.854 -14.320 1.233 489 HB2 GLN 69 1HB GLN 69 -4.988 -14.471 0.285 490 HB3 GLN 69 2HB GLN 69 -6.080 -15.829 0.523 491 HG2 GLN 69 1HG GLN 69 -7.409 -15.221 -1.316 492 HG3 GLN 69 2HG GLN 69 -6.676 -13.620 -1.416 493 HE21 GLN 69 1HE2 GLN 69 -6.932 -15.987 -3.294 494 HE22 GLN 69 2HE2 GLN 69 -5.328 -16.220 -3.891 495 H ALA 70 H ALA 70 -6.320 -16.090 2.490 496 HA ALA 70 HA ALA 70 -5.387 -14.661 4.894 497 HB1 ALA 70 3HB ALA 70 -6.171 -17.458 5.254 498 HB2 ALA 70 1HB ALA 70 -6.568 -16.032 6.214 499 HB3 ALA 70 2HB ALA 70 -7.486 -16.395 4.752 500 H ALA 71 H ALA 71 -3.685 -15.699 6.127 501 HA ALA 71 HA ALA 71 -1.528 -16.447 6.222 502 HB1 ALA 71 3HB ALA 71 -2.598 -18.810 4.695 503 HB2 ALA 71 1HB ALA 71 -1.260 -18.777 5.843 504 HB3 ALA 71 2HB ALA 71 -2.914 -18.534 6.408 505 H THR 72 H THR 72 -1.606 -14.610 4.308 506 HA THR 72 HA THR 72 0.348 -15.583 2.400 507 HB THR 72 HB THR 72 -2.195 -14.266 1.427 508 HG1 THR 72 1HG THR 72 -2.462 -16.494 1.922 509 HG21 THR 72 3HG2 THR 72 -0.950 -13.630 -0.314 510 HG22 THR 72 1HG2 THR 72 -0.775 -15.337 -0.718 511 HG23 THR 72 2HG2 THR 72 0.445 -14.536 0.273 512 H LYS 73 H LYS 73 1.698 -13.984 1.615 513 HA LYS 73 HA LYS 73 1.558 -11.450 3.047 514 HB2 LYS 73 1HB LYS 73 3.685 -12.998 1.663 515 HB3 LYS 73 2HB LYS 73 3.858 -11.248 1.688 516 HG2 LYS 73 1HG LYS 73 5.045 -12.036 3.552 517 HG3 LYS 73 2HG LYS 73 3.535 -11.385 4.193 518 HD2 LYS 73 1HD LYS 73 2.718 -13.455 4.742 519 HD3 LYS 73 2HD LYS 73 3.640 -14.273 3.479 520 HE2 LYS 73 1HE LYS 73 5.693 -13.521 4.924 521 HE3 LYS 73 2HE LYS 73 4.492 -13.418 6.210 522 HZ1 LYS 73 3HZ LYS 73 5.802 -15.635 5.679 523 HZ2 LYS 73 1HZ LYS 73 4.515 -15.853 4.602 524 HZ3 LYS 73 2HZ LYS 73 4.211 -15.650 6.253 525 H TYR 74 H TYR 74 2.035 -9.426 1.899 526 HA TYR 74 HA TYR 74 1.393 -9.399 -0.944 527 HB2 TYR 74 1HB TYR 74 -0.217 -7.883 1.120 528 HB3 TYR 74 2HB TYR 74 -0.341 -7.650 -0.620 529 HD1 TYR 74 2HD TYR 74 -0.698 -10.260 2.015 530 HD2 TYR 74 1HD TYR 74 -1.851 -8.922 -1.856 531 HE1 TYR 74 2HE TYR 74 -2.378 -12.053 1.902 532 HE2 TYR 74 1HE TYR 74 -3.535 -10.710 -1.979 533 HH TYR 74 HH TYR 74 -3.629 -13.249 -0.569 534 H ARG 75 H ARG 75 3.179 -8.417 -1.665 535 HA ARG 75 HA ARG 75 4.634 -6.466 -0.213 536 HB2 ARG 75 1HB ARG 75 5.306 -8.051 -2.232 537 HB3 ARG 75 2HB ARG 75 4.862 -6.639 -3.181 538 HG2 ARG 75 1HG ARG 75 6.436 -5.378 -1.534 539 HG3 ARG 75 2HG ARG 75 7.094 -6.988 -1.238 540 HD2 ARG 75 1HD ARG 75 7.093 -7.059 -3.890 541 HD3 ARG 75 2HD ARG 75 7.187 -5.310 -3.686 542 HE ARG 75 HE ARG 75 9.344 -5.543 -2.949 543 HH11 ARG 75 1HH1 ARG 75 7.777 -8.652 -2.923 544 HH12 ARG 75 2HH1 ARG 75 9.232 -9.528 -2.582 545 HH21 ARG 75 1HH2 ARG 75 11.267 -6.686 -2.501 546 HH22 ARG 75 2HH2 ARG 75 11.216 -8.409 -2.342 547 H VAL 76 H VAL 76 3.273 -4.780 0.361 548 HA VAL 76 HA VAL 76 1.717 -3.367 -1.600 549 HB VAL 76 HB VAL 76 2.357 -2.758 1.285 550 HG11 VAL 76 1HG1 VAL 76 0.452 -1.079 1.008 551 HG12 VAL 76 2HG1 VAL 76 2.027 -0.632 0.350 552 HG13 VAL 76 3HG1 VAL 76 0.752 -1.207 -0.724 553 HG21 VAL 76 3HG2 VAL 76 0.821 -4.401 1.489 554 HG22 VAL 76 1HG2 VAL 76 -0.312 -3.092 1.151 555 HG23 VAL 76 2HG2 VAL 76 0.200 -4.172 -0.146 556 H LEU 77 H LEU 77 2.599 -2.040 -3.035 557 HA LEU 77 HA LEU 77 5.012 -0.535 -2.279 558 HB2 LEU 77 1HB LEU 77 4.051 -1.727 -4.819 559 HB3 LEU 77 2HB LEU 77 4.958 -0.219 -4.923 560 HG LEU 77 HG LEU 77 6.646 -1.597 -3.386 561 HD11 LEU 77 1HD1 LEU 77 6.428 -3.911 -4.891 562 HD12 LEU 77 2HD1 LEU 77 4.776 -3.571 -4.377 563 HD13 LEU 77 3HD1 LEU 77 6.058 -3.730 -3.176 564 HD21 LEU 77 3HD2 LEU 77 6.719 -2.277 -6.279 565 HD22 LEU 77 1HD2 LEU 77 8.001 -1.688 -5.221 566 HD23 LEU 77 2HD2 LEU 77 6.769 -0.575 -5.816 567 H VAL 78 H VAL 78 4.441 1.421 -1.567 568 HA VAL 78 HA VAL 78 2.255 2.851 -2.901 569 HB VAL 78 HB VAL 78 3.670 3.743 -0.397 570 HG11 VAL 78 1HG1 VAL 78 2.353 5.465 -1.357 571 HG12 VAL 78 2HG1 VAL 78 1.008 4.363 -1.659 572 HG13 VAL 78 3HG1 VAL 78 1.424 4.817 -0.006 573 HG21 VAL 78 3HG2 VAL 78 2.829 1.998 0.697 574 HG22 VAL 78 1HG2 VAL 78 1.218 2.614 0.329 575 HG23 VAL 78 2HG2 VAL 78 1.978 1.437 -0.742 576 H SER 79 H SER 79 2.513 4.959 -3.681 577 HA SER 79 HA SER 79 5.175 6.126 -3.735 578 HB2 SER 79 1HB SER 79 4.723 6.421 -6.344 579 HB3 SER 79 2HB SER 79 5.555 5.003 -5.705 580 HG SER 79 HG SER 79 3.841 4.489 -7.173 581 H ALA 80 H ALA 80 5.021 8.252 -3.479 582 HA ALA 80 HA ALA 80 2.431 9.530 -3.613 583 HB1 ALA 80 3HB ALA 80 3.275 11.054 -2.194 584 HB2 ALA 80 1HB ALA 80 4.563 9.869 -1.974 585 HB3 ALA 80 2HB ALA 80 4.782 11.212 -3.097 586 H ILE 81 H ILE 81 1.665 10.577 -5.320 587 HA ILE 81 HA ILE 81 3.440 11.154 -7.559 588 HB ILE 81 HB ILE 81 0.435 11.227 -7.310 589 HG12 ILE 81 1HG1 ILE 81 0.459 9.295 -8.723 590 HG13 ILE 81 2HG1 ILE 81 2.178 9.480 -9.051 591 HG21 ILE 81 1HG2 ILE 81 2.178 12.501 -9.241 592 HG22 ILE 81 2HG2 ILE 81 1.076 11.355 -10.002 593 HG23 ILE 81 3HG2 ILE 81 0.437 12.666 -9.010 594 HD11 ILE 81 3HD1 ILE 81 2.752 8.808 -6.853 595 HD12 ILE 81 1HD1 ILE 81 1.073 8.889 -6.322 596 HD13 ILE 81 2HD1 ILE 81 1.577 7.645 -7.467 597 H TYR 82 H TYR 82 4.079 13.137 -8.138 598 HA TYR 82 HA TYR 82 2.776 15.448 -6.859 599 HB2 TYR 82 1HB TYR 82 5.738 15.106 -7.370 600 HB3 TYR 82 2HB TYR 82 4.971 16.536 -6.688 601 HD1 TYR 82 1HD TYR 82 4.029 16.473 -4.413 602 HD2 TYR 82 2HD TYR 82 6.135 13.151 -6.035 603 HE1 TYR 82 1HE TYR 82 4.271 15.531 -2.154 604 HE2 TYR 82 2HE TYR 82 6.382 12.199 -3.781 605 HH TYR 82 HH TYR 82 6.045 13.848 -1.043 606 H ALA 83 H ALA 83 2.881 17.438 -8.041 607 HA ALA 83 HA ALA 83 2.109 17.383 -10.636 608 HB1 ALA 83 3HB ALA 83 2.094 19.615 -10.492 609 HB2 ALA 83 1HB ALA 83 2.633 19.367 -8.830 610 HB3 ALA 83 2HB ALA 83 3.812 19.696 -10.101 611 H ALA 84 H ALA 84 5.453 17.613 -9.483 612 HA ALA 84 HA ALA 84 6.577 17.760 -12.110 613 HB1 ALA 84 3HB ALA 84 7.565 17.750 -9.360 614 HB2 ALA 84 1HB ALA 84 8.631 16.936 -10.506 615 HB3 ALA 84 2HB ALA 84 8.159 18.614 -10.778 616 H GLY 85 H GLY 85 6.482 15.196 -9.628 617 HA2 GLY 85 1HA GLY 85 6.035 13.127 -11.500 618 HA3 GLY 85 2HA GLY 85 7.749 13.205 -11.120 619 H ARG 86 H ARG 86 6.263 10.949 -10.558 620 HA ARG 86 HA ARG 86 5.512 11.021 -7.759 621 HB2 ARG 86 1HB ARG 86 4.965 8.638 -8.081 622 HB3 ARG 86 2HB ARG 86 4.180 9.665 -9.272 623 HG2 ARG 86 1HG ARG 86 5.494 8.895 -11.002 624 HG3 ARG 86 2HG ARG 86 6.790 8.374 -9.923 625 HD2 ARG 86 1HD ARG 86 5.177 6.638 -9.040 626 HD3 ARG 86 2HD ARG 86 4.120 7.064 -10.385 627 HE ARG 86 HE ARG 86 6.557 6.521 -11.523 628 HH11 ARG 86 1HH1 ARG 86 4.292 4.801 -9.516 629 HH12 ARG 86 2HH1 ARG 86 4.710 3.245 -10.153 630 HH21 ARG 86 1HH2 ARG 86 7.116 4.478 -12.369 631 HH22 ARG 86 2HH2 ARG 86 6.317 3.062 -11.775 632 H SER 87 H SER 87 6.701 10.310 -6.081 633 HA SER 87 HA SER 87 9.499 9.934 -6.422 634 HB2 SER 87 1HB SER 87 9.572 9.656 -4.008 635 HB3 SER 87 2HB SER 87 8.479 10.981 -4.407 636 HG SER 87 HG SER 87 7.509 8.357 -4.062 637 H GLU 88 H GLU 88 10.576 8.027 -5.182 638 HA GLU 88 HA GLU 88 10.159 5.694 -6.632 639 HB2 GLU 88 1HB GLU 88 11.742 4.652 -5.195 640 HB3 GLU 88 2HB GLU 88 12.227 6.336 -5.339 641 HG2 GLU 88 1HG GLU 88 11.485 6.850 -3.175 642 HG3 GLU 88 2HG GLU 88 10.560 5.355 -3.049 643 H ALA 89 H ALA 89 9.704 3.504 -5.590 644 HA ALA 89 HA ALA 89 7.175 3.722 -4.111 645 HB1 ALA 89 3HB ALA 89 6.849 2.594 -6.163 646 HB2 ALA 89 1HB ALA 89 8.271 1.579 -5.915 647 HB3 ALA 89 2HB ALA 89 6.838 1.350 -4.912 648 H VAL 90 H VAL 90 6.845 2.680 -2.198 649 HA VAL 90 HA VAL 90 9.213 1.425 -0.980 650 HB VAL 90 HB VAL 90 7.936 1.896 1.199 651 HG11 VAL 90 1HG1 VAL 90 8.937 4.032 1.413 652 HG12 VAL 90 2HG1 VAL 90 9.956 3.116 0.301 653 HG13 VAL 90 3HG1 VAL 90 8.838 4.330 -0.321 654 HG21 VAL 90 3HG2 VAL 90 6.551 3.977 -0.468 655 HG22 VAL 90 1HG2 VAL 90 5.805 2.423 -0.092 656 HG23 VAL 90 2HG2 VAL 90 6.244 3.529 1.210 657 H SER 91 H SER 91 9.142 -0.705 -0.793 658 HA SER 91 HA SER 91 6.634 -2.129 -1.031 659 HB2 SER 91 1HB SER 91 7.895 -4.022 -1.465 660 HB3 SER 91 2HB SER 91 8.999 -2.759 -2.009 661 HG SER 91 HG SER 91 9.426 -4.589 -0.158 662 H ALA 92 H ALA 92 5.961 -3.772 0.487 663 HA ALA 92 HA ALA 92 7.072 -3.883 3.118 664 HB1 ALA 92 3HB ALA 92 5.706 -2.553 4.323 665 HB2 ALA 92 1HB ALA 92 5.547 -1.691 2.793 666 HB3 ALA 92 2HB ALA 92 4.315 -2.854 3.282 667 H THR 93 H THR 93 6.768 -5.912 3.728 668 HA THR 93 HA THR 93 4.596 -7.463 2.548 669 HB THR 93 HB THR 93 5.795 -9.376 3.811 670 HG1 THR 93 1HG THR 93 7.106 -7.561 4.928 671 HG21 THR 93 3HG2 THR 93 6.695 -9.863 1.821 672 HG22 THR 93 1HG2 THR 93 7.751 -8.452 1.866 673 HG23 THR 93 2HG2 THR 93 6.094 -8.296 1.283 674 H GLY 94 H GLY 94 2.740 -7.720 3.593 675 HA2 GLY 94 1HA GLY 94 2.794 -7.766 6.545 676 HA3 GLY 94 2HA GLY 94 1.572 -6.859 5.666 677 H GLN 95 H GLN 95 2.667 -10.015 6.637 678 HA GLN 95 HA GLN 95 1.003 -11.676 5.189 679 HB2 GLN 95 1HB GLN 95 2.789 -12.406 6.773 680 HB3 GLN 95 2HB GLN 95 1.713 -12.013 8.107 681 HG2 GLN 95 1HG GLN 95 0.146 -13.694 7.406 682 HG3 GLN 95 2HG GLN 95 1.095 -14.026 5.959 683 HE21 GLN 95 1HE2 GLN 95 0.410 -16.029 7.702 684 HE22 GLN 95 2HE2 GLN 95 1.825 -16.604 8.509 685 H THR 96 H THR 96 -1.108 -12.208 5.225 686 HA THR 96 HA THR 96 -2.931 -10.497 6.613 687 HB THR 96 HB THR 96 -4.647 -12.198 5.647 688 HG1 THR 96 1HG THR 96 -3.689 -13.309 3.801 689 HG21 THR 96 3HG2 THR 96 -3.800 -11.214 3.232 690 HG22 THR 96 1HG2 THR 96 -3.056 -10.097 4.375 691 HG23 THR 96 2HG2 THR 96 -4.802 -10.342 4.391 692 H ALA 97 H ALA 97 -4.994 -11.854 7.507 693 HA ALA 97 HA ALA 97 -3.979 -13.130 9.900 694 HB1 ALA 97 3HB ALA 97 -5.871 -11.423 9.817 695 HB2 ALA 97 1HB ALA 97 -6.876 -12.741 9.213 696 HB3 ALA 97 2HB ALA 97 -6.127 -12.861 10.805 697 H CYS 98 H CYS 98 -4.858 -15.164 10.696 698 HA CYS 98 HA CYS 98 -5.178 -17.086 8.508 699 HB2 CYS 98 1HB CYS 98 -4.537 -18.789 10.143 700 HB3 CYS 98 2HB CYS 98 -3.345 -17.497 10.093 701 HG CYS 98 HG CYS 98 -5.414 -16.603 12.388 702 HA PRO 99 HA PRO 99 -9.398 -17.889 9.411 703 HB2 PRO 99 1HB PRO 99 -9.570 -20.507 8.711 704 HB3 PRO 99 2HB PRO 99 -9.416 -19.203 7.527 705 HG2 PRO 99 1HG PRO 99 -7.309 -21.028 8.619 706 HG3 PRO 99 2HG PRO 99 -7.572 -20.496 6.948 707 HD2 PRO 99 1HD PRO 99 -5.685 -19.394 8.547 708 HD3 PRO 99 2HD PRO 99 -6.539 -18.465 7.298 709 H SER 100 H SER 100 -6.942 -19.971 10.810 710 HA SER 100 HA SER 100 -8.179 -21.675 12.448 711 HB2 SER 100 1HB SER 100 -5.733 -21.249 12.460 712 HB3 SER 100 2HB SER 100 -6.013 -19.789 13.408 713 HG SER 100 HG SER 100 -6.306 -20.966 15.135 714 H GLY 101 H GLY 101 -7.903 -18.193 13.102 715 HA2 GLY 101 1HA GLY 101 -9.503 -16.860 14.170 716 HA3 GLY 101 2HA GLY 101 -10.352 -18.317 14.666 717 HA PRO 102 HA PRO 102 -7.379 -16.499 18.000 718 HB2 PRO 102 1HB PRO 102 -8.976 -14.671 19.215 719 HB3 PRO 102 2HB PRO 102 -7.874 -14.258 17.895 720 HG2 PRO 102 1HG PRO 102 -10.821 -14.780 17.810 721 HG3 PRO 102 2HG PRO 102 -9.885 -13.516 16.993 722 HD2 PRO 102 1HD PRO 102 -10.710 -15.764 15.729 723 HD3 PRO 102 2HD PRO 102 -9.196 -14.936 15.313 724 H SER 103 H SER 103 -7.373 -17.630 19.847 725 HA SER 103 HA SER 103 -9.955 -18.521 20.951 726 HB2 SER 103 1HB SER 103 -8.756 -20.632 21.637 727 HB3 SER 103 2HB SER 103 -8.972 -20.441 19.897 728 HG SER 103 HG SER 103 -6.854 -19.989 19.668 729 H SER 104 H SER 104 -9.847 -19.130 23.258 730 HA SER 104 HA SER 104 -7.808 -17.572 24.705 731 HB2 SER 104 1HB SER 104 -10.190 -16.590 24.621 732 HB3 SER 104 2HB SER 104 -10.631 -17.911 25.703 733 HG SER 104 HG SER 104 -9.656 -16.926 27.287 734 H GLY 105 H GLY 105 -10.375 -19.967 25.371 735 HA2 GLY 105 1HA GLY 105 -8.519 -21.920 26.316 736 HA3 GLY 105 2HA GLY 105 -9.306 -21.090 27.649 Start of MODEL 18 1 H1 GLY 1 H GLY 1 22.624 15.467 -13.629 2 HA2 GLY 1 1HA GLY 1 23.358 17.566 -14.268 3 HA3 GLY 1 2HA GLY 1 22.746 17.035 -15.827 4 H SER 2 H SER 2 21.265 18.279 -16.751 5 HA SER 2 HA SER 2 20.344 20.657 -15.617 6 HB2 SER 2 1HB SER 2 18.697 20.654 -17.536 7 HB3 SER 2 2HB SER 2 20.385 20.446 -18.003 8 HG SER 2 HG SER 2 18.935 18.961 -19.039 9 H SER 3 H SER 3 18.378 17.779 -16.389 10 HA SER 3 HA SER 3 16.128 18.639 -14.920 11 HB2 SER 3 1HB SER 3 16.993 16.016 -16.091 12 HB3 SER 3 2HB SER 3 15.580 16.081 -15.038 13 HG SER 3 HG SER 3 14.560 17.383 -16.470 14 H GLY 4 H GLY 4 15.636 18.522 -12.820 15 HA2 GLY 4 1HA GLY 4 16.483 16.508 -11.049 16 HA3 GLY 4 2HA GLY 4 17.561 17.886 -10.880 17 H SER 5 H SER 5 14.049 17.646 -11.413 18 HA SER 5 HA SER 5 13.454 19.805 -9.699 19 HB2 SER 5 1HB SER 5 12.005 18.848 -11.574 20 HB3 SER 5 2HB SER 5 11.521 17.602 -10.423 21 HG SER 5 HG SER 5 11.059 20.384 -10.320 22 H SER 6 H SER 6 14.167 19.643 -7.636 23 HA SER 6 HA SER 6 13.818 17.215 -6.110 24 HB2 SER 6 1HB SER 6 15.140 19.850 -5.670 25 HB3 SER 6 2HB SER 6 14.652 18.931 -4.245 26 HG SER 6 HG SER 6 16.153 17.780 -6.348 27 H GLY 7 H GLY 7 12.369 16.843 -4.487 28 HA2 GLY 7 1HA GLY 7 10.896 18.149 -2.826 29 HA3 GLY 7 2HA GLY 7 10.163 18.784 -4.291 30 H ARG 8 H ARG 8 11.287 15.478 -3.899 31 HA ARG 8 HA ARG 8 8.481 14.583 -3.878 32 HB2 ARG 8 1HB ARG 8 10.784 13.571 -5.536 33 HB3 ARG 8 2HB ARG 8 9.346 12.601 -5.245 34 HG2 ARG 8 1HG ARG 8 7.959 14.220 -6.343 35 HG3 ARG 8 2HG ARG 8 9.318 15.336 -6.499 36 HD2 ARG 8 1HD ARG 8 9.122 12.613 -7.782 37 HD3 ARG 8 2HD ARG 8 8.848 14.151 -8.598 38 HE ARG 8 HE ARG 8 11.129 14.526 -8.625 39 HH11 ARG 8 1HH1 ARG 8 10.381 11.715 -6.712 40 HH12 ARG 8 2HH1 ARG 8 12.026 11.182 -6.614 41 HH21 ARG 8 1HH2 ARG 8 13.300 13.835 -8.503 42 HH22 ARG 8 2HH2 ARG 8 13.686 12.389 -7.633 43 H SER 9 H SER 9 8.432 14.121 -1.699 44 HA SER 9 HA SER 9 10.421 12.230 -0.663 45 HB2 SER 9 1HB SER 9 9.794 14.434 0.539 46 HB3 SER 9 2HB SER 9 8.313 13.593 0.997 47 HG SER 9 HG SER 9 9.580 12.024 2.020 48 HA PRO 10 HA PRO 10 7.292 9.094 -1.298 49 HB2 PRO 10 1HB PRO 10 8.861 7.021 -0.518 50 HB3 PRO 10 2HB PRO 10 8.985 7.772 -2.113 51 HG2 PRO 10 1HG PRO 10 10.673 8.206 0.321 52 HG3 PRO 10 2HG PRO 10 11.173 8.033 -1.372 53 HD2 PRO 10 1HD PRO 10 10.987 10.440 -0.147 54 HD3 PRO 10 2HD PRO 10 10.662 10.222 -1.878 55 HA PRO 11 HA PRO 11 5.642 8.452 2.731 56 HB2 PRO 11 1HB PRO 11 4.367 6.079 2.396 57 HB3 PRO 11 2HB PRO 11 3.778 7.592 1.698 58 HG2 PRO 11 1HG PRO 11 5.348 5.395 0.406 59 HG3 PRO 11 2HG PRO 11 3.963 6.302 -0.228 60 HD2 PRO 11 1HD PRO 11 6.516 6.856 -0.941 61 HD3 PRO 11 2HD PRO 11 5.262 8.108 -0.833 62 H SER 12 H SER 12 6.637 7.852 4.541 63 HA SER 12 HA SER 12 8.175 5.337 4.536 64 HB2 SER 12 1HB SER 12 8.713 7.774 6.247 65 HB3 SER 12 2HB SER 12 9.720 6.333 6.103 66 HG SER 12 HG SER 12 9.099 7.853 3.820 67 H ASN 13 H ASN 13 8.590 4.668 6.969 68 HA ASN 13 HA ASN 13 7.712 3.768 8.864 69 HB2 ASN 13 1HB ASN 13 5.951 6.213 8.640 70 HB3 ASN 13 2HB ASN 13 5.883 5.102 10.005 71 HD21 ASN 13 1HD2 ASN 13 7.501 7.725 8.570 72 HD22 ASN 13 2HD2 ASN 13 8.747 7.907 9.752 73 H LEU 14 H LEU 14 6.807 2.804 6.342 74 HA LEU 14 HA LEU 14 4.028 2.460 6.188 75 HB2 LEU 14 1HB LEU 14 6.404 1.094 5.055 76 HB3 LEU 14 2HB LEU 14 4.868 0.233 4.995 77 HG LEU 14 HG LEU 14 5.291 2.990 3.853 78 HD11 LEU 14 1HD1 LEU 14 4.968 1.342 1.720 79 HD12 LEU 14 2HD1 LEU 14 5.946 0.338 2.791 80 HD13 LEU 14 3HD1 LEU 14 6.523 1.933 2.308 81 HD21 LEU 14 3HD2 LEU 14 3.182 2.735 2.855 82 HD22 LEU 14 1HD2 LEU 14 2.967 2.183 4.516 83 HD23 LEU 14 2HD2 LEU 14 3.127 1.008 3.211 84 H ALA 15 H ALA 15 2.635 1.191 7.242 85 HA ALA 15 HA ALA 15 3.667 -1.070 8.805 86 HB1 ALA 15 3HB ALA 15 2.829 1.340 9.946 87 HB2 ALA 15 1HB ALA 15 1.505 0.205 10.209 88 HB3 ALA 15 2HB ALA 15 3.130 -0.189 10.771 89 H LEU 16 H LEU 16 2.616 -2.858 8.271 90 HA LEU 16 HA LEU 16 -0.056 -2.631 7.078 91 HB2 LEU 16 1HB LEU 16 2.195 -4.546 6.810 92 HB3 LEU 16 2HB LEU 16 0.560 -5.177 6.619 93 HG LEU 16 HG LEU 16 0.196 -3.477 4.824 94 HD11 LEU 16 1HD1 LEU 16 2.227 -2.472 3.819 95 HD12 LEU 16 2HD1 LEU 16 3.148 -3.020 5.219 96 HD13 LEU 16 3HD1 LEU 16 1.850 -1.844 5.424 97 HD21 LEU 16 3HD2 LEU 16 0.640 -5.665 4.093 98 HD22 LEU 16 1HD2 LEU 16 2.337 -5.569 4.564 99 HD23 LEU 16 2HD2 LEU 16 1.753 -4.644 3.180 100 H ALA 17 H ALA 17 -1.734 -3.053 8.336 101 HA ALA 17 HA ALA 17 -1.378 -4.925 10.585 102 HB1 ALA 17 3HB ALA 17 -3.004 -2.431 10.310 103 HB2 ALA 17 1HB ALA 17 -3.476 -3.679 11.463 104 HB3 ALA 17 2HB ALA 17 -1.894 -2.908 11.594 105 H SER 18 H SER 18 -2.459 -6.775 10.485 106 HA SER 18 HA SER 18 -4.555 -7.076 8.465 107 HB2 SER 18 1HB SER 18 -2.630 -8.680 8.517 108 HB3 SER 18 2HB SER 18 -3.192 -9.232 10.095 109 HG SER 18 HG SER 18 -4.589 -9.382 7.629 110 H GLU 19 H GLU 19 -6.622 -7.054 9.024 111 HA GLU 19 HA GLU 19 -7.324 -7.651 11.823 112 HB2 GLU 19 1HB GLU 19 -8.921 -5.989 11.816 113 HB3 GLU 19 2HB GLU 19 -7.694 -5.276 10.779 114 HG2 GLU 19 1HG GLU 19 -8.924 -5.874 8.811 115 HG3 GLU 19 2HG GLU 19 -10.097 -6.777 9.769 116 H THR 20 H THR 20 -7.943 -8.324 8.482 117 HA THR 20 HA THR 20 -9.597 -10.592 9.243 118 HB THR 20 HB THR 20 -11.381 -9.107 8.899 119 HG1 THR 20 1HG THR 20 -12.193 -9.783 6.764 120 HG21 THR 20 3HG2 THR 20 -10.268 -8.133 6.287 121 HG22 THR 20 1HG2 THR 20 -9.818 -7.368 7.811 122 HG23 THR 20 2HG2 THR 20 -11.508 -7.401 7.305 123 HA PRO 21 HA PRO 21 -7.338 -12.518 5.996 124 HB2 PRO 21 1HB PRO 21 -9.006 -14.588 5.451 125 HB3 PRO 21 2HB PRO 21 -8.010 -14.516 6.909 126 HG2 PRO 21 1HG PRO 21 -10.908 -13.850 6.560 127 HG3 PRO 21 2HG PRO 21 -10.116 -14.748 7.868 128 HD2 PRO 21 1HD PRO 21 -10.829 -12.148 8.111 129 HD3 PRO 21 2HD PRO 21 -9.407 -12.828 8.927 130 H ASP 22 H ASP 22 -10.048 -10.736 5.504 131 HA ASP 22 HA ASP 22 -10.228 -11.414 2.646 132 HB2 ASP 22 1HB ASP 22 -12.202 -9.585 3.924 133 HB3 ASP 22 2HB ASP 22 -12.433 -10.769 2.641 134 H SER 23 H SER 23 -9.291 -8.994 4.904 135 HA SER 23 HA SER 23 -8.305 -7.330 2.741 136 HB2 SER 23 1HB SER 23 -9.328 -5.268 3.678 137 HB3 SER 23 2HB SER 23 -10.532 -6.402 3.067 138 HG SER 23 HG SER 23 -10.092 -5.510 5.624 139 H LEU 24 H LEU 24 -6.776 -5.718 3.462 140 HA LEU 24 HA LEU 24 -5.752 -6.164 6.182 141 HB2 LEU 24 1HB LEU 24 -4.422 -7.439 4.540 142 HB3 LEU 24 2HB LEU 24 -4.073 -5.936 3.688 143 HG LEU 24 HG LEU 24 -3.130 -5.268 6.093 144 HD11 LEU 24 1HD1 LEU 24 -2.764 -6.943 7.500 145 HD12 LEU 24 2HD1 LEU 24 -1.975 -7.897 6.244 146 HD13 LEU 24 3HD1 LEU 24 -3.726 -7.975 6.440 147 HD21 LEU 24 3HD2 LEU 24 -1.028 -5.479 5.178 148 HD22 LEU 24 1HD2 LEU 24 -2.041 -5.521 3.735 149 HD23 LEU 24 2HD2 LEU 24 -1.400 -7.021 4.406 150 H GLN 25 H GLN 25 -5.165 -4.369 7.268 151 HA GLN 25 HA GLN 25 -5.692 -1.810 6.014 152 HB2 GLN 25 1HB GLN 25 -6.284 -2.661 8.456 153 HB3 GLN 25 2HB GLN 25 -4.682 -2.028 8.811 154 HG2 GLN 25 1HG GLN 25 -6.289 -0.335 9.291 155 HG3 GLN 25 2HG GLN 25 -5.385 0.147 7.856 156 HE21 GLN 25 1HE2 GLN 25 -8.136 -2.035 8.345 157 HE22 GLN 25 2HE2 GLN 25 -9.186 -1.241 7.226 158 H VAL 26 H VAL 26 -4.225 -0.177 5.682 159 HA VAL 26 HA VAL 26 -1.426 -0.638 6.385 160 HB VAL 26 HB VAL 26 -1.564 -1.571 4.161 161 HG11 VAL 26 1HG1 VAL 26 -2.124 0.443 2.401 162 HG12 VAL 26 2HG1 VAL 26 -3.253 -0.822 2.893 163 HG13 VAL 26 3HG1 VAL 26 -3.282 0.749 3.695 164 HG21 VAL 26 3HG2 VAL 26 0.498 -0.605 4.297 165 HG22 VAL 26 1HG2 VAL 26 -0.161 0.326 2.951 166 HG23 VAL 26 2HG2 VAL 26 -0.154 1.010 4.576 167 H SER 27 H SER 27 -0.354 1.186 6.907 168 HA SER 27 HA SER 27 -1.560 3.769 6.196 169 HB2 SER 27 1HB SER 27 -1.219 4.612 8.453 170 HB3 SER 27 2HB SER 27 -2.223 3.163 8.514 171 HG SER 27 HG SER 27 0.056 2.151 8.781 172 H TRP 28 H TRP 28 -0.001 5.608 6.748 173 HA TRP 28 HA TRP 28 2.782 5.060 6.910 174 HB2 TRP 28 1HB TRP 28 3.409 5.818 4.637 175 HB3 TRP 28 2HB TRP 28 2.496 4.312 4.614 176 HD1 TRP 28 HD TRP 28 2.014 8.075 3.894 177 HE1 TRP 28 1HE TRP 28 0.084 8.328 2.211 178 HE3 TRP 28 3HE TRP 28 0.512 3.195 3.642 179 HZ2 TRP 28 2HZ TRP 28 -1.823 6.677 0.944 180 HZ3 TRP 28 3HZ TRP 28 -1.374 2.616 2.171 181 HH2 TRP 28 HH TRP 28 -2.516 4.323 0.851 182 H THR 29 H THR 29 4.095 7.044 6.663 183 HA THR 29 HA THR 29 2.618 9.322 7.701 184 HB THR 29 HB THR 29 5.585 8.834 7.397 185 HG1 THR 29 1HG THR 29 4.477 7.666 9.074 186 HG21 THR 29 3HG2 THR 29 5.027 11.233 7.177 187 HG22 THR 29 1HG2 THR 29 5.930 10.883 8.650 188 HG23 THR 29 2HG2 THR 29 4.189 11.159 8.727 189 HA PRO 30 HA PRO 30 2.492 11.120 3.611 190 HB2 PRO 30 1HB PRO 30 1.130 13.348 4.352 191 HB3 PRO 30 2HB PRO 30 0.352 11.778 4.125 192 HG2 PRO 30 1HG PRO 30 1.230 13.108 6.659 193 HG3 PRO 30 2HG PRO 30 -0.270 12.225 6.321 194 HD2 PRO 30 1HD PRO 30 1.808 11.110 7.651 195 HD3 PRO 30 2HD PRO 30 0.729 10.167 6.603 196 HA PRO 31 HA PRO 31 6.034 13.775 3.921 197 HB2 PRO 31 1HB PRO 31 6.042 14.628 1.343 198 HB3 PRO 31 2HB PRO 31 6.585 13.016 1.823 199 HG2 PRO 31 1HG PRO 31 3.952 13.866 0.681 200 HG3 PRO 31 2HG PRO 31 4.939 12.447 0.283 201 HD2 PRO 31 1HD PRO 31 2.778 12.309 1.909 202 HD3 PRO 31 2HD PRO 31 4.196 11.260 2.114 203 H LEU 32 H LEU 32 6.472 16.088 2.675 204 HA LEU 32 HA LEU 32 4.384 17.835 3.760 205 HB2 LEU 32 1HB LEU 32 6.707 18.103 4.562 206 HB3 LEU 32 2HB LEU 32 7.202 18.501 2.918 207 HG LEU 32 HG LEU 32 5.391 20.399 3.197 208 HD11 LEU 32 1HD1 LEU 32 5.091 21.201 5.384 209 HD12 LEU 32 2HD1 LEU 32 6.319 20.118 6.039 210 HD13 LEU 32 3HD1 LEU 32 4.778 19.467 5.479 211 HD21 LEU 32 3HD2 LEU 32 7.129 21.895 3.595 212 HD22 LEU 32 1HD2 LEU 32 7.946 20.494 2.902 213 HD23 LEU 32 2HD2 LEU 32 7.990 20.767 4.644 214 H GLY 33 H GLY 33 6.269 17.241 0.830 215 HA2 GLY 33 1HA GLY 33 5.464 19.362 -0.746 216 HA3 GLY 33 2HA GLY 33 5.826 17.757 -1.364 217 H ARG 34 H ARG 34 3.862 19.580 -2.383 218 HA ARG 34 HA ARG 34 1.262 18.810 -1.512 219 HB2 ARG 34 1HB ARG 34 1.863 20.943 -2.734 220 HB3 ARG 34 2HB ARG 34 1.994 19.977 -4.197 221 HG2 ARG 34 1HG ARG 34 -0.513 19.839 -2.597 222 HG3 ARG 34 2HG ARG 34 -0.215 21.246 -3.620 223 HD2 ARG 34 1HD ARG 34 0.297 19.519 -5.463 224 HD3 ARG 34 2HD ARG 34 -0.527 18.371 -4.408 225 HE ARG 34 HE ARG 34 -2.516 19.319 -5.008 226 HH11 ARG 34 1HH1 ARG 34 0.062 21.518 -5.804 227 HH12 ARG 34 2HH1 ARG 34 -0.970 22.634 -6.634 228 HH21 ARG 34 1HH2 ARG 34 -3.886 20.781 -6.098 229 HH22 ARG 34 2HH2 ARG 34 -3.216 22.214 -6.800 230 H VAL 35 H VAL 35 0.864 16.656 -1.591 231 HA VAL 35 HA VAL 35 1.414 15.206 -4.077 232 HB VAL 35 HB VAL 35 2.217 13.941 -2.290 233 HG11 VAL 35 1HG1 VAL 35 0.751 13.457 -0.267 234 HG12 VAL 35 2HG1 VAL 35 1.404 15.091 -0.405 235 HG13 VAL 35 3HG1 VAL 35 -0.277 14.772 -0.835 236 HG21 VAL 35 3HG2 VAL 35 -0.535 12.771 -2.445 237 HG22 VAL 35 1HG2 VAL 35 0.512 12.800 -3.864 238 HG23 VAL 35 2HG2 VAL 35 1.025 11.950 -2.407 239 H LEU 36 H LEU 36 -0.154 14.526 -5.414 240 HA LEU 36 HA LEU 36 -2.837 15.468 -4.995 241 HB2 LEU 36 1HB LEU 36 -1.726 13.733 -7.196 242 HB3 LEU 36 2HB LEU 36 -3.286 14.554 -7.205 243 HG LEU 36 HG LEU 36 -0.602 15.934 -7.181 244 HD11 LEU 36 1HD1 LEU 36 -1.739 16.574 -9.543 245 HD12 LEU 36 2HD1 LEU 36 -2.308 14.916 -9.351 246 HD13 LEU 36 3HD1 LEU 36 -0.579 15.263 -9.328 247 HD21 LEU 36 3HD2 LEU 36 -1.686 17.851 -6.857 248 HD22 LEU 36 1HD2 LEU 36 -3.093 16.884 -6.416 249 HD23 LEU 36 2HD2 LEU 36 -2.899 17.453 -8.074 250 H HIS 37 H HIS 37 -1.433 12.238 -5.571 251 HA HIS 37 HA HIS 37 -3.385 11.089 -3.740 252 HB2 HIS 37 1HB HIS 37 -3.849 9.259 -5.471 253 HB3 HIS 37 2HB HIS 37 -4.628 10.818 -5.726 254 HD1 HIS 37 1HD HIS 37 -2.570 8.352 -7.395 255 HD2 HIS 37 2HD HIS 37 -3.196 12.446 -7.726 256 HE1 HIS 37 1HE HIS 37 -1.691 8.986 -9.664 257 HE2 HIS 37 2HE HIS 37 -2.003 11.481 -9.808 258 H TYR 38 H TYR 38 -2.955 8.583 -3.661 259 HA TYR 38 HA TYR 38 -0.034 8.188 -3.640 260 HB2 TYR 38 1HB TYR 38 -2.098 7.240 -1.646 261 HB3 TYR 38 2HB TYR 38 -0.432 6.673 -1.672 262 HD1 TYR 38 2HD TYR 38 1.214 8.943 -2.006 263 HD2 TYR 38 1HD TYR 38 -2.467 8.678 0.112 264 HE1 TYR 38 2HE TYR 38 1.887 10.851 -0.608 265 HE2 TYR 38 1HE TYR 38 -1.804 10.586 1.516 266 HH TYR 38 HH TYR 38 0.750 11.583 2.178 267 H TRP 39 H TRP 39 0.114 7.090 -5.565 268 HA TRP 39 HA TRP 39 -1.633 5.063 -6.428 269 HB2 TRP 39 1HB TRP 39 0.003 6.302 -7.871 270 HB3 TRP 39 2HB TRP 39 1.292 5.350 -7.140 271 HD1 TRP 39 HD TRP 39 1.997 3.408 -8.630 272 HE1 TRP 39 1HE TRP 39 0.842 1.857 -10.328 273 HE3 TRP 39 3HE TRP 39 -2.752 5.277 -8.336 274 HZ2 TRP 39 2HZ TRP 39 -1.741 1.477 -11.402 275 HZ3 TRP 39 3HZ TRP 39 -4.507 4.264 -9.733 276 HH2 TRP 39 HH TRP 39 -4.010 2.404 -11.233 277 H LEU 40 H LEU 40 -2.035 3.540 -4.859 278 HA LEU 40 HA LEU 40 0.187 2.125 -3.628 279 HB2 LEU 40 1HB LEU 40 -2.094 2.850 -2.556 280 HB3 LEU 40 2HB LEU 40 -2.668 1.341 -3.265 281 HG LEU 40 HG LEU 40 -0.230 1.261 -1.558 282 HD11 LEU 40 1HD1 LEU 40 -2.352 2.599 -0.564 283 HD12 LEU 40 2HD1 LEU 40 -1.251 1.628 0.412 284 HD13 LEU 40 3HD1 LEU 40 -2.783 0.944 -0.132 285 HD21 LEU 40 3HD2 LEU 40 -2.002 -0.790 -0.943 286 HD22 LEU 40 1HD2 LEU 40 -0.582 -0.893 -1.985 287 HD23 LEU 40 2HD2 LEU 40 -2.167 -0.564 -2.685 288 H THR 41 H THR 41 0.748 0.029 -4.014 289 HA THR 41 HA THR 41 -0.810 -1.497 -5.974 290 HB THR 41 HB THR 41 1.526 -2.227 -6.908 291 HG1 THR 41 1HG THR 41 2.178 -0.186 -5.264 292 HG21 THR 41 3HG2 THR 41 0.921 -1.086 -8.742 293 HG22 THR 41 1HG2 THR 41 1.011 0.468 -7.913 294 HG23 THR 41 2HG2 THR 41 -0.445 -0.520 -7.780 295 H TYR 42 H TYR 42 -1.398 -3.207 -4.787 296 HA TYR 42 HA TYR 42 0.610 -4.485 -3.063 297 HB2 TYR 42 1HB TYR 42 -1.175 -5.407 -1.791 298 HB3 TYR 42 2HB TYR 42 -1.596 -3.722 -2.075 299 HD1 TYR 42 2HD TYR 42 -2.409 -7.204 -2.885 300 HD2 TYR 42 1HD TYR 42 -3.460 -3.128 -3.503 301 HE1 TYR 42 2HE TYR 42 -4.564 -7.910 -3.836 302 HE2 TYR 42 1HE TYR 42 -5.619 -3.823 -4.455 303 HH TYR 42 HH TYR 42 -6.838 -5.557 -5.184 304 H ALA 43 H ALA 43 0.974 -6.708 -3.170 305 HA ALA 43 HA ALA 43 -0.409 -8.456 -4.917 306 HB1 ALA 43 3HB ALA 43 0.538 -7.960 -6.866 307 HB2 ALA 43 1HB ALA 43 1.683 -6.859 -6.100 308 HB3 ALA 43 2HB ALA 43 2.053 -8.580 -6.209 309 HA PRO 44 HA PRO 44 1.704 -11.509 -2.578 310 HB2 PRO 44 1HB PRO 44 2.052 -13.520 -4.368 311 HB3 PRO 44 2HB PRO 44 0.474 -13.097 -3.693 312 HG2 PRO 44 1HG PRO 44 1.664 -12.353 -6.337 313 HG3 PRO 44 2HG PRO 44 0.014 -12.884 -5.962 314 HD2 PRO 44 1HD PRO 44 0.655 -10.281 -6.345 315 HD3 PRO 44 2HD PRO 44 -0.627 -10.795 -5.230 316 H ALA 45 H ALA 45 3.698 -10.645 -2.056 317 HA ALA 45 HA ALA 45 5.860 -10.001 -3.494 318 HB1 ALA 45 3HB ALA 45 6.698 -9.822 -1.449 319 HB2 ALA 45 1HB ALA 45 5.418 -10.854 -0.811 320 HB3 ALA 45 2HB ALA 45 6.920 -11.571 -1.397 321 H SER 46 H SER 46 4.897 -13.317 -2.727 322 HA SER 46 HA SER 46 7.014 -14.803 -3.518 323 HB2 SER 46 1HB SER 46 4.067 -15.204 -3.838 324 HB3 SER 46 2HB SER 46 5.167 -16.357 -4.592 325 HG SER 46 HG SER 46 5.333 -15.614 -1.864 326 H GLY 47 H GLY 47 4.449 -13.777 -5.785 327 HA2 GLY 47 1HA GLY 47 4.877 -12.819 -7.918 328 HA3 GLY 47 2HA GLY 47 6.497 -13.498 -7.867 329 H LEU 48 H LEU 48 3.203 -14.836 -7.569 330 HA LEU 48 HA LEU 48 3.917 -16.759 -9.686 331 HB2 LEU 48 1HB LEU 48 2.040 -18.127 -8.410 332 HB3 LEU 48 2HB LEU 48 3.741 -18.209 -7.958 333 HG LEU 48 HG LEU 48 3.130 -16.334 -6.274 334 HD11 LEU 48 1HD1 LEU 48 0.892 -16.188 -5.573 335 HD12 LEU 48 2HD1 LEU 48 0.411 -17.582 -6.538 336 HD13 LEU 48 3HD1 LEU 48 0.837 -16.066 -7.331 337 HD21 LEU 48 3HD2 LEU 48 3.419 -17.986 -4.821 338 HD22 LEU 48 1HD2 LEU 48 3.228 -19.134 -6.146 339 HD23 LEU 48 2HD2 LEU 48 1.826 -18.649 -5.191 340 H GLY 49 H GLY 49 2.465 -14.088 -9.647 341 HA2 GLY 49 1HA GLY 49 0.526 -14.724 -11.604 342 HA3 GLY 49 2HA GLY 49 -0.273 -14.423 -10.067 343 HA PRO 50 HA PRO 50 0.284 -10.393 -12.345 344 HB2 PRO 50 1HB PRO 50 -2.315 -9.631 -12.152 345 HB3 PRO 50 2HB PRO 50 -1.701 -10.623 -13.479 346 HG2 PRO 50 1HG PRO 50 -3.168 -11.462 -11.008 347 HG3 PRO 50 2HG PRO 50 -3.386 -12.013 -12.680 348 HD2 PRO 50 1HD PRO 50 -2.004 -13.444 -10.843 349 HD3 PRO 50 2HD PRO 50 -1.594 -13.458 -12.570 350 H GLU 51 H GLU 51 -0.444 -8.182 -11.521 351 HA GLU 51 HA GLU 51 -0.474 -8.195 -8.573 352 HB2 GLU 51 1HB GLU 51 0.910 -6.234 -8.568 353 HB3 GLU 51 2HB GLU 51 1.684 -7.445 -9.580 354 HG2 GLU 51 1HG GLU 51 -0.075 -5.343 -10.776 355 HG3 GLU 51 2HG GLU 51 1.612 -5.009 -10.389 356 H LYS 52 H LYS 52 -1.502 -6.362 -7.550 357 HA LYS 52 HA LYS 52 -3.692 -5.278 -9.192 358 HB2 LYS 52 1HB LYS 52 -3.543 -5.839 -6.227 359 HB3 LYS 52 2HB LYS 52 -4.873 -4.978 -6.991 360 HG2 LYS 52 1HG LYS 52 -4.100 -7.688 -7.974 361 HG3 LYS 52 2HG LYS 52 -5.076 -7.520 -6.513 362 HD2 LYS 52 1HD LYS 52 -6.860 -6.585 -7.658 363 HD3 LYS 52 2HD LYS 52 -5.850 -6.059 -9.006 364 HE2 LYS 52 1HE LYS 52 -5.495 -8.526 -9.501 365 HE3 LYS 52 2HE LYS 52 -6.805 -8.837 -8.363 366 HZ1 LYS 52 3HZ LYS 52 -8.107 -7.186 -9.798 367 HZ2 LYS 52 1HZ LYS 52 -7.860 -8.745 -10.406 368 HZ3 LYS 52 2HZ LYS 52 -6.916 -7.459 -10.968 369 H SER 53 H SER 53 -4.603 -3.180 -8.046 370 HA SER 53 HA SER 53 -2.689 -1.458 -6.819 371 HB2 SER 53 1HB SER 53 -3.451 -0.637 -9.616 372 HB3 SER 53 2HB SER 53 -2.191 0.033 -8.579 373 HG SER 53 HG SER 53 -1.027 -1.252 -9.825 374 H VAL 54 H VAL 54 -3.832 -0.150 -5.567 375 HA VAL 54 HA VAL 54 -6.599 0.484 -6.350 376 HB VAL 54 HB VAL 54 -7.042 0.877 -3.961 377 HG11 VAL 54 1HG1 VAL 54 -7.395 -1.349 -5.007 378 HG12 VAL 54 2HG1 VAL 54 -5.802 -1.833 -4.421 379 HG13 VAL 54 3HG1 VAL 54 -7.079 -1.425 -3.274 380 HG21 VAL 54 3HG2 VAL 54 -5.304 0.008 -2.333 381 HG22 VAL 54 1HG2 VAL 54 -4.157 0.078 -3.670 382 HG23 VAL 54 2HG2 VAL 54 -4.944 1.552 -3.106 383 H SER 55 H SER 55 -7.334 2.579 -6.284 384 HA SER 55 HA SER 55 -5.289 4.628 -6.400 385 HB2 SER 55 1HB SER 55 -6.934 4.759 -8.122 386 HB3 SER 55 2HB SER 55 -8.257 4.637 -6.962 387 HG SER 55 HG SER 55 -6.511 6.745 -6.568 388 H VAL 56 H VAL 56 -5.258 6.515 -5.137 389 HA VAL 56 HA VAL 56 -6.858 6.423 -2.668 390 HB VAL 56 HB VAL 56 -4.007 7.371 -2.659 391 HG11 VAL 56 1HG1 VAL 56 -5.861 6.361 -0.504 392 HG12 VAL 56 2HG1 VAL 56 -4.192 6.879 -0.259 393 HG13 VAL 56 3HG1 VAL 56 -5.408 8.041 -0.791 394 HG21 VAL 56 3HG2 VAL 56 -4.183 4.984 -3.476 395 HG22 VAL 56 1HG2 VAL 56 -3.217 5.232 -2.021 396 HG23 VAL 56 2HG2 VAL 56 -4.853 4.585 -1.895 397 HA PRO 57 HA PRO 57 -7.831 10.598 -3.723 398 HB2 PRO 57 1HB PRO 57 -8.821 11.374 -1.317 399 HB3 PRO 57 2HB PRO 57 -9.706 10.319 -2.425 400 HG2 PRO 57 1HG PRO 57 -8.089 9.599 -0.011 401 HG3 PRO 57 2HG PRO 57 -9.664 8.972 -0.530 402 HD2 PRO 57 1HD PRO 57 -7.351 7.625 -0.943 403 HD3 PRO 57 2HD PRO 57 -8.725 7.529 -2.064 404 H GLY 58 H GLY 58 -5.325 9.644 -1.753 405 HA2 GLY 58 1HA GLY 58 -3.393 10.760 -1.160 406 HA3 GLY 58 2HA GLY 58 -4.054 12.207 -1.906 407 H ALA 59 H ALA 59 -6.311 12.679 -0.472 408 HA ALA 59 HA ALA 59 -5.488 14.098 1.713 409 HB1 ALA 59 3HB ALA 59 -8.007 13.465 2.483 410 HB2 ALA 59 1HB ALA 59 -7.611 14.693 1.281 411 HB3 ALA 59 2HB ALA 59 -8.072 13.069 0.766 412 H ARG 60 H ARG 60 -6.566 10.726 1.641 413 HA ARG 60 HA ARG 60 -6.024 10.457 4.498 414 HB2 ARG 60 1HB ARG 60 -7.024 8.228 4.273 415 HB3 ARG 60 2HB ARG 60 -8.094 9.477 3.649 416 HG2 ARG 60 1HG ARG 60 -6.865 8.837 1.378 417 HG3 ARG 60 2HG ARG 60 -6.682 7.302 2.229 418 HD2 ARG 60 1HD ARG 60 -9.209 7.572 2.738 419 HD3 ARG 60 2HD ARG 60 -9.183 8.726 1.406 420 HE ARG 60 HE ARG 60 -7.974 6.236 0.706 421 HH11 ARG 60 1HH1 ARG 60 -11.022 7.877 1.078 422 HH12 ARG 60 2HH1 ARG 60 -11.855 6.861 -0.052 423 HH21 ARG 60 1HH2 ARG 60 -9.060 4.892 -0.783 424 HH22 ARG 60 2HH2 ARG 60 -10.738 5.163 -1.109 425 H SER 61 H SER 61 -4.325 9.374 5.329 426 HA SER 61 HA SER 61 -2.279 8.470 3.445 427 HB2 SER 61 1HB SER 61 -1.870 10.113 5.417 428 HB3 SER 61 2HB SER 61 -1.895 8.664 6.422 429 HG SER 61 HG SER 61 -0.178 7.847 5.207 430 H HIS 62 H HIS 62 -4.631 6.856 3.924 431 HA HIS 62 HA HIS 62 -3.313 4.364 4.487 432 HB2 HIS 62 1HB HIS 62 -4.910 3.676 6.269 433 HB3 HIS 62 2HB HIS 62 -3.839 4.983 6.765 434 HD1 HIS 62 1HD HIS 62 -7.328 4.720 5.247 435 HD2 HIS 62 2HD HIS 62 -5.190 6.937 8.036 436 HE1 HIS 62 1HE HIS 62 -8.983 6.337 6.232 437 HE2 HIS 62 2HE HIS 62 -7.647 7.725 7.855 438 H VAL 63 H VAL 63 -4.707 2.501 4.049 439 HA VAL 63 HA VAL 63 -7.297 2.861 2.909 440 HB VAL 63 HB VAL 63 -5.751 3.712 1.086 441 HG11 VAL 63 1HG1 VAL 63 -4.521 2.113 -0.222 442 HG12 VAL 63 2HG1 VAL 63 -3.993 1.997 1.458 443 HG13 VAL 63 3HG1 VAL 63 -5.088 0.785 0.790 444 HG21 VAL 63 3HG2 VAL 63 -6.901 1.933 -0.589 445 HG22 VAL 63 1HG2 VAL 63 -7.872 1.682 0.862 446 HG23 VAL 63 2HG2 VAL 63 -7.757 3.289 0.145 447 H THR 64 H THR 64 -8.351 0.910 2.511 448 HA THR 64 HA THR 64 -6.974 -1.440 3.597 449 HB THR 64 HB THR 64 -9.922 -1.319 3.029 450 HG1 THR 64 1HG THR 64 -9.160 0.516 4.368 451 HG21 THR 64 3HG2 THR 64 -8.566 -3.421 3.739 452 HG22 THR 64 1HG2 THR 64 -10.096 -3.072 4.543 453 HG23 THR 64 2HG2 THR 64 -8.572 -2.672 5.335 454 H LEU 65 H LEU 65 -6.653 -3.269 2.443 455 HA LEU 65 HA LEU 65 -7.392 -3.184 -0.398 456 HB2 LEU 65 1HB LEU 65 -5.352 -4.966 0.911 457 HB3 LEU 65 2HB LEU 65 -5.577 -4.677 -0.812 458 HG LEU 65 HG LEU 65 -4.817 -2.415 0.992 459 HD11 LEU 65 1HD1 LEU 65 -3.264 -4.285 1.468 460 HD12 LEU 65 2HD1 LEU 65 -2.482 -2.903 0.701 461 HD13 LEU 65 3HD1 LEU 65 -2.858 -4.341 -0.248 462 HD21 LEU 65 3HD2 LEU 65 -5.148 -2.864 -1.820 463 HD22 LEU 65 1HD2 LEU 65 -3.486 -2.380 -1.480 464 HD23 LEU 65 2HD2 LEU 65 -4.826 -1.358 -0.959 465 HA PRO 66 HA PRO 66 -10.314 -6.351 1.072 466 HB2 PRO 66 1HB PRO 66 -12.037 -6.010 -0.998 467 HB3 PRO 66 2HB PRO 66 -12.036 -4.971 0.432 468 HG2 PRO 66 1HG PRO 66 -10.822 -4.488 -2.262 469 HG3 PRO 66 2HG PRO 66 -11.738 -3.373 -1.231 470 HD2 PRO 66 1HD PRO 66 -9.035 -3.328 -1.383 471 HD3 PRO 66 2HD PRO 66 -9.915 -2.906 0.099 472 H ASP 67 H ASP 67 -11.359 -8.195 -0.216 473 HA ASP 67 HA ASP 67 -11.087 -10.104 -1.423 474 HB2 ASP 67 1HB ASP 67 -9.707 -8.225 -3.352 475 HB3 ASP 67 2HB ASP 67 -10.218 -9.867 -3.730 476 H LEU 68 H LEU 68 -9.414 -10.118 0.587 477 HA LEU 68 HA LEU 68 -6.800 -10.889 -0.535 478 HB2 LEU 68 1HB LEU 68 -7.560 -9.651 2.083 479 HB3 LEU 68 2HB LEU 68 -6.064 -10.570 1.924 480 HG LEU 68 HG LEU 68 -6.785 -8.094 0.357 481 HD11 LEU 68 1HD1 LEU 68 -6.293 -7.261 2.440 482 HD12 LEU 68 2HD1 LEU 68 -4.691 -7.305 1.705 483 HD13 LEU 68 3HD1 LEU 68 -5.182 -8.576 2.825 484 HD21 LEU 68 3HD2 LEU 68 -5.395 -9.503 -0.983 485 HD22 LEU 68 1HD2 LEU 68 -4.321 -9.827 0.378 486 HD23 LEU 68 2HD2 LEU 68 -4.386 -8.212 -0.328 487 H GLN 69 H GLN 69 -5.696 -12.663 0.589 488 HA GLN 69 HA GLN 69 -7.624 -14.724 1.375 489 HB2 GLN 69 1HB GLN 69 -4.741 -14.963 0.498 490 HB3 GLN 69 2HB GLN 69 -5.786 -16.316 0.910 491 HG2 GLN 69 1HG GLN 69 -7.331 -15.307 -0.935 492 HG3 GLN 69 2HG GLN 69 -5.841 -14.536 -1.476 493 HE21 GLN 69 1HE2 GLN 69 -5.982 -15.753 -3.405 494 HE22 GLN 69 2HE2 GLN 69 -5.515 -17.416 -3.443 495 H ALA 70 H ALA 70 -6.304 -16.463 2.837 496 HA ALA 70 HA ALA 70 -5.465 -14.933 5.209 497 HB1 ALA 70 3HB ALA 70 -7.410 -16.071 5.806 498 HB2 ALA 70 1HB ALA 70 -6.949 -17.521 4.913 499 HB3 ALA 70 2HB ALA 70 -6.119 -17.107 6.414 500 H ALA 71 H ALA 71 -3.724 -15.685 6.465 501 HA ALA 71 HA ALA 71 -1.606 -16.467 6.767 502 HB1 ALA 71 3HB ALA 71 -1.877 -18.954 5.302 503 HB2 ALA 71 1HB ALA 71 -1.611 -18.678 7.024 504 HB3 ALA 71 2HB ALA 71 -3.249 -18.656 6.369 505 H THR 72 H THR 72 -1.719 -14.718 4.711 506 HA THR 72 HA THR 72 0.423 -15.675 2.999 507 HB THR 72 HB THR 72 -2.148 -14.594 1.828 508 HG1 THR 72 1HG THR 72 -0.979 -17.057 1.133 509 HG21 THR 72 3HG2 THR 72 -0.499 -15.554 -0.205 510 HG22 THR 72 1HG2 THR 72 0.567 -14.608 0.832 511 HG23 THR 72 2HG2 THR 72 -0.877 -13.867 0.143 512 H LYS 73 H LYS 73 1.761 -14.058 2.266 513 HA LYS 73 HA LYS 73 1.434 -11.481 3.558 514 HB2 LYS 73 1HB LYS 73 3.662 -12.946 2.241 515 HB3 LYS 73 2HB LYS 73 3.742 -11.190 2.240 516 HG2 LYS 73 1HG LYS 73 4.926 -11.828 4.141 517 HG3 LYS 73 2HG LYS 73 3.345 -11.341 4.755 518 HD2 LYS 73 1HD LYS 73 3.637 -13.322 5.876 519 HD3 LYS 73 2HD LYS 73 2.795 -13.893 4.433 520 HE2 LYS 73 1HE LYS 73 4.923 -14.502 3.418 521 HE3 LYS 73 2HE LYS 73 5.787 -13.884 4.824 522 HZ1 LYS 73 3HZ LYS 73 5.570 -15.865 5.754 523 HZ2 LYS 73 1HZ LYS 73 4.674 -16.435 4.436 524 HZ3 LYS 73 2HZ LYS 73 3.886 -15.701 5.740 525 H TYR 74 H TYR 74 2.121 -9.509 2.229 526 HA TYR 74 HA TYR 74 1.437 -9.587 -0.575 527 HB2 TYR 74 1HB TYR 74 -0.303 -8.071 1.381 528 HB3 TYR 74 2HB TYR 74 -0.392 -7.927 -0.371 529 HD1 TYR 74 2HD TYR 74 -0.811 -10.325 2.431 530 HD2 TYR 74 1HD TYR 74 -1.685 -9.429 -1.635 531 HE1 TYR 74 2HE TYR 74 -2.399 -12.202 2.364 532 HE2 TYR 74 1HE TYR 74 -3.275 -11.303 -1.713 533 HH TYR 74 HH TYR 74 -3.958 -13.254 1.169 534 H ARG 75 H ARG 75 3.170 -8.526 -1.301 535 HA ARG 75 HA ARG 75 4.522 -6.489 0.126 536 HB2 ARG 75 1HB ARG 75 5.276 -8.061 -1.870 537 HB3 ARG 75 2HB ARG 75 4.760 -6.689 -2.842 538 HG2 ARG 75 1HG ARG 75 6.268 -5.282 -1.333 539 HG3 ARG 75 2HG ARG 75 6.954 -6.821 -0.808 540 HD2 ARG 75 1HD ARG 75 6.703 -6.321 -3.726 541 HD3 ARG 75 2HD ARG 75 7.962 -5.457 -2.843 542 HE ARG 75 HE ARG 75 8.314 -8.016 -2.057 543 HH11 ARG 75 1HH1 ARG 75 8.033 -6.502 -5.179 544 HH12 ARG 75 2HH1 ARG 75 9.045 -7.660 -5.977 545 HH21 ARG 75 1HH2 ARG 75 9.648 -9.547 -3.095 546 HH22 ARG 75 2HH2 ARG 75 9.962 -9.393 -4.791 547 H VAL 76 H VAL 76 3.440 -4.672 0.625 548 HA VAL 76 HA VAL 76 1.703 -3.402 -1.334 549 HB VAL 76 HB VAL 76 2.273 -2.882 1.570 550 HG11 VAL 76 1HG1 VAL 76 2.211 -0.702 0.487 551 HG12 VAL 76 2HG1 VAL 76 0.681 -1.117 -0.289 552 HG13 VAL 76 3HG1 VAL 76 0.766 -0.953 1.466 553 HG21 VAL 76 3HG2 VAL 76 0.369 -4.393 0.191 554 HG22 VAL 76 1HG2 VAL 76 0.370 -3.983 1.906 555 HG23 VAL 76 2HG2 VAL 76 -0.489 -2.959 0.755 556 H LEU 77 H LEU 77 2.581 -2.102 -2.797 557 HA LEU 77 HA LEU 77 4.941 -0.512 -2.048 558 HB2 LEU 77 1HB LEU 77 3.969 -1.630 -4.646 559 HB3 LEU 77 2HB LEU 77 5.047 -0.236 -4.630 560 HG LEU 77 HG LEU 77 6.469 -1.877 -3.074 561 HD11 LEU 77 1HD1 LEU 77 6.132 -4.088 -3.359 562 HD12 LEU 77 2HD1 LEU 77 5.569 -3.901 -5.019 563 HD13 LEU 77 3HD1 LEU 77 4.475 -3.573 -3.676 564 HD21 LEU 77 3HD2 LEU 77 6.564 -2.281 -6.041 565 HD22 LEU 77 1HD2 LEU 77 7.893 -2.166 -4.888 566 HD23 LEU 77 2HD2 LEU 77 6.977 -0.723 -5.323 567 H VAL 78 H VAL 78 4.568 1.551 -1.622 568 HA VAL 78 HA VAL 78 2.275 2.872 -2.918 569 HB VAL 78 HB VAL 78 3.637 3.789 -0.389 570 HG11 VAL 78 1HG1 VAL 78 1.026 4.478 -1.723 571 HG12 VAL 78 2HG1 VAL 78 1.451 4.972 -0.083 572 HG13 VAL 78 3HG1 VAL 78 2.410 5.537 -1.451 573 HG21 VAL 78 3HG2 VAL 78 2.546 1.446 -0.331 574 HG22 VAL 78 1HG2 VAL 78 2.124 2.612 0.924 575 HG23 VAL 78 2HG2 VAL 78 1.022 2.328 -0.424 576 H SER 79 H SER 79 2.526 5.153 -3.437 577 HA SER 79 HA SER 79 5.181 6.265 -3.582 578 HB2 SER 79 1HB SER 79 3.747 5.723 -6.187 579 HB3 SER 79 2HB SER 79 5.366 6.388 -5.972 580 HG SER 79 HG SER 79 5.575 4.226 -6.455 581 H ALA 80 H ALA 80 5.048 8.403 -3.377 582 HA ALA 80 HA ALA 80 2.468 9.681 -3.379 583 HB1 ALA 80 3HB ALA 80 4.965 10.148 -2.157 584 HB2 ALA 80 1HB ALA 80 4.598 11.567 -3.139 585 HB3 ALA 80 2HB ALA 80 3.453 11.022 -1.912 586 H ILE 81 H ILE 81 1.552 10.725 -5.016 587 HA ILE 81 HA ILE 81 3.146 11.251 -7.416 588 HB ILE 81 HB ILE 81 0.162 11.141 -6.988 589 HG12 ILE 81 1HG1 ILE 81 0.232 9.168 -8.344 590 HG13 ILE 81 2HG1 ILE 81 1.917 9.447 -8.770 591 HG21 ILE 81 1HG2 ILE 81 0.727 11.214 -9.731 592 HG22 ILE 81 2HG2 ILE 81 -0.084 12.446 -8.766 593 HG23 ILE 81 3HG2 ILE 81 1.661 12.523 -9.007 594 HD11 ILE 81 3HD1 ILE 81 1.391 7.641 -7.048 595 HD12 ILE 81 1HD1 ILE 81 2.677 8.787 -6.673 596 HD13 ILE 81 2HD1 ILE 81 1.086 8.975 -5.935 597 H TYR 82 H TYR 82 3.859 13.232 -7.799 598 HA TYR 82 HA TYR 82 2.430 15.504 -6.585 599 HB2 TYR 82 1HB TYR 82 5.338 15.382 -7.408 600 HB3 TYR 82 2HB TYR 82 4.540 16.706 -6.566 601 HD1 TYR 82 1HD TYR 82 3.874 16.451 -4.206 602 HD2 TYR 82 2HD TYR 82 6.058 13.417 -6.237 603 HE1 TYR 82 1HE TYR 82 4.458 15.434 -2.044 604 HE2 TYR 82 2HE TYR 82 6.647 12.390 -4.081 605 HH TYR 82 HH TYR 82 6.482 12.517 -1.875 606 H ALA 83 H ALA 83 2.559 17.552 -7.809 607 HA ALA 83 HA ALA 83 1.430 17.444 -10.284 608 HB1 ALA 83 3HB ALA 83 2.450 19.468 -8.615 609 HB2 ALA 83 1HB ALA 83 3.117 19.752 -10.223 610 HB3 ALA 83 2HB ALA 83 1.371 19.643 -9.999 611 H ALA 84 H ALA 84 4.906 17.794 -9.608 612 HA ALA 84 HA ALA 84 5.672 17.773 -12.350 613 HB1 ALA 84 3HB ALA 84 7.536 18.541 -11.425 614 HB2 ALA 84 1HB ALA 84 6.956 18.102 -9.818 615 HB3 ALA 84 2HB ALA 84 7.855 16.930 -10.782 616 H GLY 85 H GLY 85 6.088 15.331 -9.773 617 HA2 GLY 85 1HA GLY 85 5.377 13.182 -11.519 618 HA3 GLY 85 2HA GLY 85 7.116 13.272 -11.282 619 H ARG 86 H ARG 86 5.853 11.016 -10.510 620 HA ARG 86 HA ARG 86 5.230 11.191 -7.678 621 HB2 ARG 86 1HB ARG 86 4.750 8.790 -7.854 622 HB3 ARG 86 2HB ARG 86 3.888 9.710 -9.079 623 HG2 ARG 86 1HG ARG 86 5.125 8.847 -10.801 624 HG3 ARG 86 2HG ARG 86 6.524 8.521 -9.775 625 HD2 ARG 86 1HD ARG 86 5.134 6.746 -8.647 626 HD3 ARG 86 2HD ARG 86 3.941 6.982 -9.923 627 HE ARG 86 HE ARG 86 6.422 5.572 -10.124 628 HH11 ARG 86 1HH1 ARG 86 4.066 7.421 -11.900 629 HH12 ARG 86 2HH1 ARG 86 4.458 6.699 -13.425 630 HH21 ARG 86 1HH2 ARG 86 6.947 4.615 -12.127 631 HH22 ARG 86 2HH2 ARG 86 6.096 5.103 -13.554 632 H SER 87 H SER 87 6.450 10.344 -6.027 633 HA SER 87 HA SER 87 9.274 10.188 -6.491 634 HB2 SER 87 1HB SER 87 9.491 10.023 -4.107 635 HB3 SER 87 2HB SER 87 8.200 11.180 -4.433 636 HG SER 87 HG SER 87 7.776 8.434 -3.861 637 H GLU 88 H GLU 88 10.451 8.336 -5.182 638 HA GLU 88 HA GLU 88 10.251 6.001 -6.627 639 HB2 GLU 88 1HB GLU 88 11.657 4.967 -4.948 640 HB3 GLU 88 2HB GLU 88 12.183 6.624 -5.213 641 HG2 GLU 88 1HG GLU 88 10.803 7.245 -3.189 642 HG3 GLU 88 2HG GLU 88 10.658 5.516 -2.879 643 H ALA 89 H ALA 89 9.973 3.777 -5.303 644 HA ALA 89 HA ALA 89 7.291 3.873 -4.080 645 HB1 ALA 89 3HB ALA 89 8.399 1.806 -5.973 646 HB2 ALA 89 1HB ALA 89 6.866 1.663 -5.113 647 HB3 ALA 89 2HB ALA 89 7.098 2.951 -6.295 648 H VAL 90 H VAL 90 7.176 3.073 -2.091 649 HA VAL 90 HA VAL 90 9.433 1.504 -1.071 650 HB VAL 90 HB VAL 90 8.289 1.958 1.177 651 HG11 VAL 90 1HG1 VAL 90 10.332 3.076 0.461 652 HG12 VAL 90 2HG1 VAL 90 9.380 4.273 -0.421 653 HG13 VAL 90 3HG1 VAL 90 9.283 4.189 1.338 654 HG21 VAL 90 3HG2 VAL 90 6.943 4.181 -0.331 655 HG22 VAL 90 1HG2 VAL 90 6.132 2.653 0.014 656 HG23 VAL 90 2HG2 VAL 90 6.690 3.674 1.339 657 H SER 91 H SER 91 9.246 -0.611 -0.784 658 HA SER 91 HA SER 91 6.596 -1.837 -0.943 659 HB2 SER 91 1HB SER 91 9.237 -3.294 -0.892 660 HB3 SER 91 2HB SER 91 7.689 -3.864 -1.516 661 HG SER 91 HG SER 91 8.418 -1.587 -2.753 662 H ALA 92 H ALA 92 5.928 -3.458 0.551 663 HA ALA 92 HA ALA 92 7.397 -3.841 3.003 664 HB1 ALA 92 3HB ALA 92 4.750 -2.882 3.710 665 HB2 ALA 92 1HB ALA 92 6.326 -2.445 4.370 666 HB3 ALA 92 2HB ALA 92 5.725 -1.645 2.916 667 H THR 93 H THR 93 6.698 -5.614 4.171 668 HA THR 93 HA THR 93 4.617 -7.225 2.854 669 HB THR 93 HB THR 93 5.713 -9.157 4.091 670 HG1 THR 93 1HG THR 93 6.916 -7.876 5.580 671 HG21 THR 93 3HG2 THR 93 6.334 -7.937 1.659 672 HG22 THR 93 1HG2 THR 93 6.726 -9.585 2.148 673 HG23 THR 93 2HG2 THR 93 7.893 -8.288 2.405 674 H GLY 94 H GLY 94 2.884 -7.959 3.972 675 HA2 GLY 94 1HA GLY 94 2.858 -7.736 6.888 676 HA3 GLY 94 2HA GLY 94 1.672 -6.790 6.000 677 H GLN 95 H GLN 95 2.646 -9.975 6.997 678 HA GLN 95 HA GLN 95 0.985 -11.617 5.555 679 HB2 GLN 95 1HB GLN 95 2.681 -12.227 7.375 680 HB3 GLN 95 2HB GLN 95 1.375 -11.956 8.522 681 HG2 GLN 95 1HG GLN 95 0.034 -13.650 7.267 682 HG3 GLN 95 2HG GLN 95 1.481 -14.003 6.323 683 HE21 GLN 95 1HE2 GLN 95 -0.105 -15.657 8.191 684 HE22 GLN 95 2HE2 GLN 95 1.027 -16.239 9.359 685 H THR 96 H THR 96 -1.133 -12.252 5.641 686 HA THR 96 HA THR 96 -2.968 -10.384 6.872 687 HB THR 96 HB THR 96 -4.709 -11.921 5.766 688 HG1 THR 96 1HG THR 96 -3.965 -13.431 4.374 689 HG21 THR 96 3HG2 THR 96 -2.768 -10.092 4.499 690 HG22 THR 96 1HG2 THR 96 -4.529 -10.024 4.541 691 HG23 THR 96 2HG2 THR 96 -3.715 -11.093 3.399 692 H ALA 97 H ALA 97 -5.116 -11.629 7.659 693 HA ALA 97 HA ALA 97 -4.267 -13.058 10.037 694 HB1 ALA 97 3HB ALA 97 -6.572 -12.795 10.779 695 HB2 ALA 97 1HB ALA 97 -5.910 -11.256 10.227 696 HB3 ALA 97 2HB ALA 97 -7.021 -12.159 9.196 697 H CYS 98 H CYS 98 -4.914 -15.126 10.620 698 HA CYS 98 HA CYS 98 -5.848 -16.795 8.386 699 HB2 CYS 98 1HB CYS 98 -3.677 -17.489 9.103 700 HB3 CYS 98 2HB CYS 98 -4.152 -17.444 10.797 701 HG CYS 98 HG CYS 98 -5.642 -19.707 10.786 702 HA PRO 99 HA PRO 99 -9.611 -17.533 10.561 703 HB2 PRO 99 1HB PRO 99 -10.390 -19.775 9.242 704 HB3 PRO 99 2HB PRO 99 -10.477 -18.160 8.527 705 HG2 PRO 99 1HG PRO 99 -8.405 -20.289 8.154 706 HG3 PRO 99 2HG PRO 99 -9.158 -19.236 6.942 707 HD2 PRO 99 1HD PRO 99 -6.694 -18.758 7.957 708 HD3 PRO 99 2HD PRO 99 -7.789 -17.454 7.456 709 H SER 100 H SER 100 -8.788 -18.052 12.626 710 HA SER 100 HA SER 100 -8.403 -20.934 13.109 711 HB2 SER 100 1HB SER 100 -6.407 -19.441 13.546 712 HB3 SER 100 2HB SER 100 -7.343 -18.695 14.841 713 HG SER 100 HG SER 100 -6.559 -20.270 15.991 714 H GLY 101 H GLY 101 -9.510 -17.940 14.703 715 HA2 GLY 101 1HA GLY 101 -11.751 -19.468 15.831 716 HA3 GLY 101 2HA GLY 101 -10.713 -18.566 16.925 717 HA PRO 102 HA PRO 102 -14.203 -15.935 14.996 718 HB2 PRO 102 1HB PRO 102 -15.951 -15.955 17.073 719 HB3 PRO 102 2HB PRO 102 -16.009 -17.135 15.757 720 HG2 PRO 102 1HG PRO 102 -14.836 -17.410 18.498 721 HG3 PRO 102 2HG PRO 102 -15.815 -18.568 17.578 722 HD2 PRO 102 1HD PRO 102 -13.120 -18.760 17.761 723 HD3 PRO 102 2HD PRO 102 -14.019 -19.279 16.321 724 H SER 103 H SER 103 -11.993 -15.954 17.435 725 HA SER 103 HA SER 103 -12.419 -14.070 19.272 726 HB2 SER 103 1HB SER 103 -10.200 -15.214 18.600 727 HB3 SER 103 2HB SER 103 -9.951 -13.806 17.567 728 HG SER 103 HG SER 103 -10.034 -12.497 19.387 729 H SER 104 H SER 104 -11.234 -13.151 16.033 730 HA SER 104 HA SER 104 -11.319 -10.466 16.134 731 HB2 SER 104 1HB SER 104 -12.354 -12.196 13.877 732 HB3 SER 104 2HB SER 104 -12.004 -10.474 13.727 733 HG SER 104 HG SER 104 -10.106 -12.404 14.571 734 H GLY 105 H GLY 105 -12.865 -8.818 15.620 735 HA2 GLY 105 1HA GLY 105 -14.832 -7.768 16.262 736 HA3 GLY 105 2HA GLY 105 -15.503 -8.918 15.116 Start of MODEL 19 1 H1 GLY 1 H GLY 1 18.665 27.594 -5.098 2 HA2 GLY 1 1HA GLY 1 15.959 26.567 -5.626 3 HA3 GLY 1 2HA GLY 1 17.349 25.684 -6.239 4 H SER 2 H SER 2 16.311 23.962 -4.907 5 HA SER 2 HA SER 2 16.002 22.783 -2.950 6 HB2 SER 2 1HB SER 2 18.140 22.283 -1.857 7 HB3 SER 2 2HB SER 2 18.329 22.307 -3.611 8 HG SER 2 HG SER 2 19.236 24.141 -1.691 9 H SER 3 H SER 3 14.974 25.345 -2.622 10 HA SER 3 HA SER 3 15.902 26.217 0.017 11 HB2 SER 3 1HB SER 3 14.022 27.521 -1.964 12 HB3 SER 3 2HB SER 3 14.431 28.195 -0.386 13 HG SER 3 HG SER 3 16.706 27.944 -1.210 14 H GLY 4 H GLY 4 12.861 25.437 -1.671 15 HA2 GLY 4 1HA GLY 4 11.417 25.281 0.834 16 HA3 GLY 4 2HA GLY 4 10.764 24.985 -0.770 17 H SER 5 H SER 5 9.954 23.004 -0.855 18 HA SER 5 HA SER 5 10.675 20.900 0.869 19 HB2 SER 5 1HB SER 5 8.505 20.828 -0.105 20 HB3 SER 5 2HB SER 5 9.154 20.956 -1.740 21 HG SER 5 HG SER 5 8.860 18.751 -0.128 22 H SER 6 H SER 6 11.810 18.973 0.479 23 HA SER 6 HA SER 6 14.019 19.291 -1.397 24 HB2 SER 6 1HB SER 6 15.071 17.454 -0.176 25 HB3 SER 6 2HB SER 6 14.503 18.684 0.953 26 HG SER 6 HG SER 6 13.608 16.085 0.546 27 H GLY 7 H GLY 7 12.705 18.908 -3.297 28 HA2 GLY 7 1HA GLY 7 11.817 17.596 -4.964 29 HA3 GLY 7 2HA GLY 7 12.982 16.403 -4.408 30 H ARG 8 H ARG 8 11.043 15.119 -5.338 31 HA ARG 8 HA ARG 8 8.700 14.887 -3.746 32 HB2 ARG 8 1HB ARG 8 9.862 12.863 -5.667 33 HB3 ARG 8 2HB ARG 8 8.203 12.925 -5.088 34 HG2 ARG 8 1HG ARG 8 7.676 14.761 -6.388 35 HG3 ARG 8 2HG ARG 8 9.363 15.252 -6.555 36 HD2 ARG 8 1HD ARG 8 8.465 12.636 -7.681 37 HD3 ARG 8 2HD ARG 8 8.108 14.127 -8.553 38 HE ARG 8 HE ARG 8 10.767 14.302 -8.013 39 HH11 ARG 8 1HH1 ARG 8 8.747 11.925 -9.558 40 HH12 ARG 8 2HH1 ARG 8 9.995 11.365 -10.622 41 HH21 ARG 8 1HH2 ARG 8 12.418 13.574 -9.408 42 HH22 ARG 8 2HH2 ARG 8 12.083 12.304 -10.535 43 H SER 9 H SER 9 8.321 13.739 -1.956 44 HA SER 9 HA SER 9 10.424 11.888 -1.042 45 HB2 SER 9 1HB SER 9 10.030 14.013 0.309 46 HB3 SER 9 2HB SER 9 8.463 13.332 0.745 47 HG SER 9 HG SER 9 11.032 12.528 1.492 48 HA PRO 10 HA PRO 10 7.236 8.814 -1.540 49 HB2 PRO 10 1HB PRO 10 8.742 6.723 -0.686 50 HB3 PRO 10 2HB PRO 10 8.906 7.430 -2.298 51 HG2 PRO 10 1HG PRO 10 10.572 7.883 0.148 52 HG3 PRO 10 2HG PRO 10 11.090 7.654 -1.532 53 HD2 PRO 10 1HD PRO 10 10.949 10.096 -0.371 54 HD3 PRO 10 2HD PRO 10 10.642 9.843 -2.101 55 HA PRO 11 HA PRO 11 5.514 8.293 2.476 56 HB2 PRO 11 1HB PRO 11 4.230 5.918 2.195 57 HB3 PRO 11 2HB PRO 11 3.663 7.411 1.439 58 HG2 PRO 11 1HG PRO 11 5.240 5.164 0.246 59 HG3 PRO 11 2HG PRO 11 3.872 6.059 -0.441 60 HD2 PRO 11 1HD PRO 11 6.441 6.573 -1.127 61 HD3 PRO 11 2HD PRO 11 5.193 7.835 -1.082 62 H SER 12 H SER 12 6.463 7.741 4.326 63 HA SER 12 HA SER 12 7.979 5.214 4.431 64 HB2 SER 12 1HB SER 12 8.529 7.717 6.041 65 HB3 SER 12 2HB SER 12 9.512 6.253 5.989 66 HG SER 12 HG SER 12 10.391 7.822 4.627 67 H ASN 13 H ASN 13 8.359 4.643 6.898 68 HA ASN 13 HA ASN 13 7.448 3.832 8.817 69 HB2 ASN 13 1HB ASN 13 5.798 6.326 8.451 70 HB3 ASN 13 2HB ASN 13 5.542 5.241 9.814 71 HD21 ASN 13 1HD2 ASN 13 7.192 7.904 8.732 72 HD22 ASN 13 2HD2 ASN 13 8.438 7.959 9.927 73 H LEU 14 H LEU 14 6.552 2.803 6.298 74 HA LEU 14 HA LEU 14 3.771 2.465 6.155 75 HB2 LEU 14 1HB LEU 14 6.138 1.038 5.064 76 HB3 LEU 14 2HB LEU 14 4.577 0.223 4.995 77 HG LEU 14 HG LEU 14 5.094 2.953 3.825 78 HD11 LEU 14 1HD1 LEU 14 4.782 1.336 1.693 79 HD12 LEU 14 2HD1 LEU 14 5.649 0.257 2.785 80 HD13 LEU 14 3HD1 LEU 14 6.349 1.815 2.345 81 HD21 LEU 14 3HD2 LEU 14 2.996 2.728 2.784 82 HD22 LEU 14 1HD2 LEU 14 2.741 2.231 4.457 83 HD23 LEU 14 2HD2 LEU 14 2.887 1.014 3.189 84 H ALA 15 H ALA 15 2.377 1.221 7.238 85 HA ALA 15 HA ALA 15 3.425 -0.974 8.889 86 HB1 ALA 15 3HB ALA 15 2.799 -0.032 10.799 87 HB2 ALA 15 1HB ALA 15 2.459 1.449 9.902 88 HB3 ALA 15 2HB ALA 15 1.176 0.269 10.176 89 H LEU 16 H LEU 16 2.497 -2.801 8.262 90 HA LEU 16 HA LEU 16 -0.153 -2.713 7.018 91 HB2 LEU 16 1HB LEU 16 2.181 -4.531 6.873 92 HB3 LEU 16 2HB LEU 16 0.586 -5.255 6.678 93 HG LEU 16 HG LEU 16 0.169 -3.638 4.815 94 HD11 LEU 16 1HD1 LEU 16 1.747 -1.915 5.375 95 HD12 LEU 16 2HD1 LEU 16 2.168 -2.585 3.799 96 HD13 LEU 16 3HD1 LEU 16 3.094 -3.043 5.228 97 HD21 LEU 16 3HD2 LEU 16 2.522 -5.503 4.526 98 HD22 LEU 16 1HD2 LEU 16 1.570 -4.842 3.197 99 HD23 LEU 16 2HD2 LEU 16 0.819 -5.932 4.362 100 H ALA 17 H ALA 17 -1.859 -3.155 8.232 101 HA ALA 17 HA ALA 17 -1.520 -4.952 10.544 102 HB1 ALA 17 3HB ALA 17 -2.179 -3.028 11.569 103 HB2 ALA 17 1HB ALA 17 -3.085 -2.458 10.168 104 HB3 ALA 17 2HB ALA 17 -3.764 -3.711 11.207 105 H SER 18 H SER 18 -2.692 -6.768 10.627 106 HA SER 18 HA SER 18 -4.663 -7.214 8.495 107 HB2 SER 18 1HB SER 18 -2.710 -8.768 8.629 108 HB3 SER 18 2HB SER 18 -3.273 -9.276 10.221 109 HG SER 18 HG SER 18 -4.661 -9.542 7.758 110 H GLU 19 H GLU 19 -6.743 -7.227 9.004 111 HA GLU 19 HA GLU 19 -7.505 -7.841 11.784 112 HB2 GLU 19 1HB GLU 19 -9.063 -6.142 11.809 113 HB3 GLU 19 2HB GLU 19 -7.801 -5.422 10.818 114 HG2 GLU 19 1HG GLU 19 -9.011 -5.932 8.809 115 HG3 GLU 19 2HG GLU 19 -10.225 -6.826 9.722 116 H THR 20 H THR 20 -7.598 -8.942 8.684 117 HA THR 20 HA THR 20 -9.401 -11.031 9.235 118 HB THR 20 HB THR 20 -11.189 -9.455 9.015 119 HG1 THR 20 1HG THR 20 -10.784 -11.098 6.736 120 HG21 THR 20 3HG2 THR 20 -10.025 -7.661 7.869 121 HG22 THR 20 1HG2 THR 20 -11.482 -8.090 6.974 122 HG23 THR 20 2HG2 THR 20 -9.905 -8.638 6.406 123 HA PRO 21 HA PRO 21 -7.136 -12.699 5.850 124 HB2 PRO 21 1HB PRO 21 -8.719 -14.826 5.265 125 HB3 PRO 21 2HB PRO 21 -7.681 -14.765 6.695 126 HG2 PRO 21 1HG PRO 21 -10.618 -14.231 6.461 127 HG3 PRO 21 2HG PRO 21 -9.742 -15.143 7.704 128 HD2 PRO 21 1HD PRO 21 -10.573 -12.593 8.081 129 HD3 PRO 21 2HD PRO 21 -9.095 -13.235 8.825 130 H ASP 22 H ASP 22 -9.542 -10.740 5.420 131 HA ASP 22 HA ASP 22 -9.835 -11.349 2.555 132 HB2 ASP 22 1HB ASP 22 -12.116 -10.392 2.643 133 HB3 ASP 22 2HB ASP 22 -11.956 -11.835 3.639 134 H SER 23 H SER 23 -8.851 -9.184 4.924 135 HA SER 23 HA SER 23 -8.336 -7.142 2.927 136 HB2 SER 23 1HB SER 23 -9.732 -6.341 5.481 137 HB3 SER 23 2HB SER 23 -9.416 -5.349 4.058 138 HG SER 23 HG SER 23 -10.788 -7.218 3.061 139 H LEU 24 H LEU 24 -6.738 -5.610 3.581 140 HA LEU 24 HA LEU 24 -5.327 -6.226 6.077 141 HB2 LEU 24 1HB LEU 24 -4.325 -7.431 4.091 142 HB3 LEU 24 2HB LEU 24 -3.894 -5.843 3.460 143 HG LEU 24 HG LEU 24 -2.658 -5.557 5.725 144 HD11 LEU 24 1HD1 LEU 24 -2.699 -7.275 7.122 145 HD12 LEU 24 2HD1 LEU 24 -1.892 -8.266 5.907 146 HD13 LEU 24 3HD1 LEU 24 -3.653 -8.217 5.975 147 HD21 LEU 24 3HD2 LEU 24 -1.177 -5.552 4.022 148 HD22 LEU 24 1HD2 LEU 24 -1.884 -6.976 3.258 149 HD23 LEU 24 2HD2 LEU 24 -0.796 -7.162 4.634 150 H GLN 25 H GLN 25 -5.361 -4.386 7.183 151 HA GLN 25 HA GLN 25 -5.683 -1.830 6.012 152 HB2 GLN 25 1HB GLN 25 -6.195 -2.689 8.435 153 HB3 GLN 25 2HB GLN 25 -4.541 -2.187 8.757 154 HG2 GLN 25 1HG GLN 25 -5.936 -0.387 9.373 155 HG3 GLN 25 2HG GLN 25 -5.154 0.071 7.861 156 HE21 GLN 25 1HE2 GLN 25 -7.990 -1.913 8.640 157 HE22 GLN 25 2HE2 GLN 25 -9.090 -1.042 7.632 158 H VAL 26 H VAL 26 -4.236 -0.145 5.731 159 HA VAL 26 HA VAL 26 -1.415 -0.571 6.286 160 HB VAL 26 HB VAL 26 -1.555 -1.585 4.113 161 HG11 VAL 26 1HG1 VAL 26 -2.375 0.681 2.530 162 HG12 VAL 26 2HG1 VAL 26 -3.003 -0.968 2.542 163 HG13 VAL 26 3HG1 VAL 26 -3.631 0.225 3.679 164 HG21 VAL 26 3HG2 VAL 26 -0.212 0.152 2.760 165 HG22 VAL 26 1HG2 VAL 26 -0.348 1.156 4.204 166 HG23 VAL 26 2HG2 VAL 26 0.450 -0.415 4.293 167 H SER 27 H SER 27 -0.438 1.279 6.831 168 HA SER 27 HA SER 27 -1.629 3.821 5.963 169 HB2 SER 27 1HB SER 27 -2.438 3.375 8.237 170 HB3 SER 27 2HB SER 27 -0.778 3.167 8.795 171 HG SER 27 HG SER 27 -1.874 5.321 9.054 172 H TRP 28 H TRP 28 -0.041 5.658 6.903 173 HA TRP 28 HA TRP 28 2.711 5.095 7.056 174 HB2 TRP 28 1HB TRP 28 3.362 6.056 4.808 175 HB3 TRP 28 2HB TRP 28 2.645 4.448 4.762 176 HD1 TRP 28 HD TRP 28 1.842 8.102 3.891 177 HE1 TRP 28 1HE TRP 28 -0.116 8.129 2.221 178 HE3 TRP 28 3HE TRP 28 0.660 3.128 3.946 179 HZ2 TRP 28 2HZ TRP 28 -1.923 6.285 1.079 180 HZ3 TRP 28 3HZ TRP 28 -1.197 2.342 2.536 181 HH2 TRP 28 HH TRP 28 -2.461 3.889 1.133 182 H THR 29 H THR 29 3.967 7.257 6.284 183 HA THR 29 HA THR 29 2.478 9.466 7.540 184 HB THR 29 HB THR 29 5.439 8.888 7.463 185 HG1 THR 29 1HG THR 29 5.165 8.790 9.702 186 HG21 THR 29 3HG2 THR 29 4.860 11.133 9.098 187 HG22 THR 29 1HG2 THR 29 4.156 11.433 7.510 188 HG23 THR 29 2HG2 THR 29 5.874 11.064 7.657 189 HA PRO 30 HA PRO 30 2.631 11.301 3.470 190 HB2 PRO 30 1HB PRO 30 1.286 13.558 4.152 191 HB3 PRO 30 2HB PRO 30 0.483 12.009 3.872 192 HG2 PRO 30 1HG PRO 30 1.253 13.303 6.459 193 HG3 PRO 30 2HG PRO 30 -0.248 12.460 6.033 194 HD2 PRO 30 1HD PRO 30 1.726 11.287 7.468 195 HD3 PRO 30 2HD PRO 30 0.684 10.376 6.356 196 HA PRO 31 HA PRO 31 6.202 13.882 3.959 197 HB2 PRO 31 1HB PRO 31 6.313 14.811 1.411 198 HB3 PRO 31 2HB PRO 31 6.802 13.173 1.858 199 HG2 PRO 31 1HG PRO 31 4.228 14.120 0.660 200 HG3 PRO 31 2HG PRO 31 5.194 12.690 0.249 201 HD2 PRO 31 1HD PRO 31 2.979 12.556 1.802 202 HD3 PRO 31 2HD PRO 31 4.365 11.467 2.018 203 H LEU 32 H LEU 32 6.757 16.219 2.872 204 HA LEU 32 HA LEU 32 4.664 17.981 3.914 205 HB2 LEU 32 1HB LEU 32 6.329 19.618 4.216 206 HB3 LEU 32 2HB LEU 32 7.032 18.095 4.755 207 HG LEU 32 HG LEU 32 7.557 19.093 1.983 208 HD11 LEU 32 1HD1 LEU 32 9.093 20.629 2.603 209 HD12 LEU 32 2HD1 LEU 32 9.505 19.781 4.093 210 HD13 LEU 32 3HD1 LEU 32 8.044 20.765 4.015 211 HD21 LEU 32 3HD2 LEU 32 9.792 17.924 3.251 212 HD22 LEU 32 1HD2 LEU 32 8.813 17.266 1.940 213 HD23 LEU 32 2HD2 LEU 32 8.396 16.909 3.616 214 H GLY 33 H GLY 33 6.409 17.199 0.994 215 HA2 GLY 33 1HA GLY 33 5.733 19.495 -0.512 216 HA3 GLY 33 2HA GLY 33 6.198 17.934 -1.171 217 H ARG 34 H ARG 34 4.125 19.863 -2.029 218 HA ARG 34 HA ARG 34 1.556 18.908 -1.391 219 HB2 ARG 34 1HB ARG 34 1.726 21.059 -2.386 220 HB3 ARG 34 2HB ARG 34 2.628 20.431 -3.759 221 HG2 ARG 34 1HG ARG 34 0.480 20.848 -4.579 222 HG3 ARG 34 2HG ARG 34 0.537 19.103 -4.326 223 HD2 ARG 34 1HD ARG 34 -0.900 19.175 -2.545 224 HD3 ARG 34 2HD ARG 34 -0.438 20.819 -2.102 225 HE ARG 34 HE ARG 34 -1.718 21.021 -4.534 226 HH11 ARG 34 1HH1 ARG 34 -2.506 19.881 -1.340 227 HH12 ARG 34 2HH1 ARG 34 -4.189 20.269 -1.475 228 HH21 ARG 34 1HH2 ARG 34 -3.931 21.538 -4.724 229 HH22 ARG 34 2HH2 ARG 34 -4.999 21.211 -3.400 230 H VAL 35 H VAL 35 1.005 16.836 -1.648 231 HA VAL 35 HA VAL 35 1.779 15.468 -4.135 232 HB VAL 35 HB VAL 35 2.567 14.142 -2.392 233 HG11 VAL 35 1HG1 VAL 35 1.540 15.357 -0.554 234 HG12 VAL 35 2HG1 VAL 35 -0.027 14.638 -0.932 235 HG13 VAL 35 3HG1 VAL 35 1.297 13.622 -0.358 236 HG21 VAL 35 3HG2 VAL 35 0.932 13.018 -4.038 237 HG22 VAL 35 1HG2 VAL 35 1.403 12.133 -2.587 238 HG23 VAL 35 2HG2 VAL 35 -0.165 12.936 -2.660 239 H LEU 36 H LEU 36 0.273 14.850 -5.560 240 HA LEU 36 HA LEU 36 -2.409 15.745 -5.287 241 HB2 LEU 36 1HB LEU 36 -1.259 13.821 -7.302 242 HB3 LEU 36 2HB LEU 36 -2.784 14.693 -7.442 243 HG LEU 36 HG LEU 36 -0.010 15.875 -7.514 244 HD11 LEU 36 1HD1 LEU 36 -0.346 15.003 -9.617 245 HD12 LEU 36 2HD1 LEU 36 -1.010 16.626 -9.800 246 HD13 LEU 36 3HD1 LEU 36 -2.091 15.253 -9.561 247 HD21 LEU 36 3HD2 LEU 36 -1.401 17.956 -8.159 248 HD22 LEU 36 1HD2 LEU 36 -1.243 17.530 -6.454 249 HD23 LEU 36 2HD2 LEU 36 -2.722 17.132 -7.329 250 H HIS 37 H HIS 37 -1.161 12.431 -5.743 251 HA HIS 37 HA HIS 37 -3.137 11.455 -3.827 252 HB2 HIS 37 1HB HIS 37 -3.688 9.572 -5.459 253 HB3 HIS 37 2HB HIS 37 -4.375 11.153 -5.819 254 HD1 HIS 37 1HD HIS 37 -2.403 8.485 -7.288 255 HD2 HIS 37 2HD HIS 37 -2.871 12.566 -7.911 256 HE1 HIS 37 1HE HIS 37 -1.474 8.926 -9.583 257 HE2 HIS 37 2HE HIS 37 -1.690 11.414 -9.903 258 H TYR 38 H TYR 38 -2.808 8.831 -3.899 259 HA TYR 38 HA TYR 38 0.095 8.371 -3.727 260 HB2 TYR 38 1HB TYR 38 -2.044 7.573 -1.751 261 HB3 TYR 38 2HB TYR 38 -0.429 6.873 -1.753 262 HD1 TYR 38 1HD TYR 38 -1.933 10.299 -1.905 263 HD2 TYR 38 2HD TYR 38 1.023 7.755 -0.205 264 HE1 TYR 38 1HE TYR 38 -1.129 12.168 -0.523 265 HE2 TYR 38 2HE TYR 38 1.835 9.617 1.182 266 HH TYR 38 HH TYR 38 1.184 11.708 2.023 267 H TRP 39 H TRP 39 0.244 7.236 -5.629 268 HA TRP 39 HA TRP 39 -1.561 5.249 -6.482 269 HB2 TRP 39 1HB TRP 39 0.148 6.446 -7.907 270 HB3 TRP 39 2HB TRP 39 1.373 5.403 -7.189 271 HD1 TRP 39 HD TRP 39 1.991 3.568 -8.847 272 HE1 TRP 39 1HE TRP 39 0.722 2.067 -10.509 273 HE3 TRP 39 3HE TRP 39 -2.724 5.431 -8.186 274 HZ2 TRP 39 2HZ TRP 39 -1.927 1.720 -11.420 275 HZ3 TRP 39 3HZ TRP 39 -4.569 4.460 -9.492 276 HH2 TRP 39 HH TRP 39 -4.177 2.643 -11.075 277 H LEU 40 H LEU 40 -2.024 3.634 -5.085 278 HA LEU 40 HA LEU 40 0.146 2.235 -3.725 279 HB2 LEU 40 1HB LEU 40 -2.182 2.968 -2.746 280 HB3 LEU 40 2HB LEU 40 -2.719 1.452 -3.467 281 HG LEU 40 HG LEU 40 -0.350 1.400 -1.664 282 HD11 LEU 40 1HD1 LEU 40 -1.660 2.628 -0.214 283 HD12 LEU 40 2HD1 LEU 40 -2.111 0.974 0.194 284 HD13 LEU 40 3HD1 LEU 40 -3.166 1.948 -0.829 285 HD21 LEU 40 3HD2 LEU 40 -0.732 -0.799 -1.669 286 HD22 LEU 40 1HD2 LEU 40 -1.820 -0.487 -3.022 287 HD23 LEU 40 2HD2 LEU 40 -2.459 -0.587 -1.381 288 H THR 41 H THR 41 0.691 0.124 -4.081 289 HA THR 41 HA THR 41 -0.825 -1.437 -6.025 290 HB THR 41 HB THR 41 1.404 -2.055 -7.151 291 HG1 THR 41 1HG THR 41 2.181 0.528 -6.275 292 HG21 THR 41 3HG2 THR 41 -0.546 -0.223 -7.773 293 HG22 THR 41 1HG2 THR 41 0.740 -0.755 -8.856 294 HG23 THR 41 2HG2 THR 41 0.934 0.726 -7.918 295 H TYR 42 H TYR 42 -1.280 -3.142 -4.765 296 HA TYR 42 HA TYR 42 0.826 -4.279 -3.077 297 HB2 TYR 42 1HB TYR 42 -0.948 -5.508 -1.963 298 HB3 TYR 42 2HB TYR 42 -1.374 -3.802 -2.045 299 HD1 TYR 42 2HD TYR 42 -2.171 -7.164 -3.255 300 HD2 TYR 42 1HD TYR 42 -3.206 -3.042 -3.449 301 HE1 TYR 42 2HE TYR 42 -4.309 -7.757 -4.317 302 HE2 TYR 42 1HE TYR 42 -5.347 -3.623 -4.511 303 HH TYR 42 HH TYR 42 -6.848 -5.486 -4.729 304 H ALA 43 H ALA 43 1.046 -6.642 -3.002 305 HA ALA 43 HA ALA 43 0.048 -8.287 -5.091 306 HB1 ALA 43 3HB ALA 43 2.727 -8.512 -5.761 307 HB2 ALA 43 1HB ALA 43 1.460 -7.754 -6.725 308 HB3 ALA 43 2HB ALA 43 2.453 -6.774 -5.646 309 HA PRO 44 HA PRO 44 1.384 -11.488 -2.404 310 HB2 PRO 44 1HB PRO 44 2.047 -13.482 -4.123 311 HB3 PRO 44 2HB PRO 44 0.377 -12.985 -3.826 312 HG2 PRO 44 1HG PRO 44 2.195 -12.258 -6.091 313 HG3 PRO 44 2HG PRO 44 0.480 -12.704 -6.133 314 HD2 PRO 44 1HD PRO 44 1.321 -10.134 -6.272 315 HD3 PRO 44 2HD PRO 44 -0.213 -10.596 -5.507 316 H ALA 45 H ALA 45 3.262 -10.474 -1.540 317 HA ALA 45 HA ALA 45 5.728 -10.077 -2.463 318 HB1 ALA 45 3HB ALA 45 6.164 -11.483 -0.043 319 HB2 ALA 45 1HB ALA 45 6.101 -9.740 -0.305 320 HB3 ALA 45 2HB ALA 45 4.630 -10.625 0.101 321 H SER 46 H SER 46 4.444 -13.269 -1.624 322 HA SER 46 HA SER 46 6.752 -14.780 -1.954 323 HB2 SER 46 1HB SER 46 3.875 -15.522 -2.532 324 HB3 SER 46 2HB SER 46 5.204 -16.680 -2.452 325 HG SER 46 HG SER 46 3.872 -16.259 -0.471 326 H GLY 47 H GLY 47 4.249 -14.018 -4.375 327 HA2 GLY 47 1HA GLY 47 4.993 -13.347 -6.605 328 HA3 GLY 47 2HA GLY 47 6.278 -14.537 -6.458 329 H LEU 48 H LEU 48 2.800 -14.794 -5.774 330 HA LEU 48 HA LEU 48 2.605 -16.809 -7.907 331 HB2 LEU 48 1HB LEU 48 1.190 -17.064 -5.269 332 HB3 LEU 48 2HB LEU 48 1.352 -18.275 -6.540 333 HG LEU 48 HG LEU 48 3.807 -17.295 -5.156 334 HD11 LEU 48 1HD1 LEU 48 3.190 -18.028 -3.160 335 HD12 LEU 48 2HD1 LEU 48 2.917 -19.631 -3.842 336 HD13 LEU 48 3HD1 LEU 48 1.598 -18.461 -3.785 337 HD21 LEU 48 3HD2 LEU 48 3.304 -20.134 -5.791 338 HD22 LEU 48 1HD2 LEU 48 4.759 -19.161 -6.004 339 HD23 LEU 48 2HD2 LEU 48 3.437 -19.035 -7.165 340 H GLY 49 H GLY 49 1.889 -14.161 -8.252 341 HA2 GLY 49 1HA GLY 49 -0.752 -14.389 -9.186 342 HA3 GLY 49 2HA GLY 49 -0.779 -13.531 -7.653 343 HA PRO 50 HA PRO 50 0.216 -10.698 -11.334 344 HB2 PRO 50 1HB PRO 50 -2.157 -9.384 -11.449 345 HB3 PRO 50 2HB PRO 50 -1.824 -10.850 -12.380 346 HG2 PRO 50 1HG PRO 50 -3.315 -10.540 -9.802 347 HG3 PRO 50 2HG PRO 50 -3.720 -11.530 -11.217 348 HD2 PRO 50 1HD PRO 50 -2.579 -12.568 -8.991 349 HD3 PRO 50 2HD PRO 50 -2.262 -13.211 -10.616 350 H GLU 51 H GLU 51 -0.105 -8.216 -11.272 351 HA GLU 51 HA GLU 51 0.325 -7.348 -8.496 352 HB2 GLU 51 1HB GLU 51 2.150 -7.054 -10.254 353 HB3 GLU 51 2HB GLU 51 1.114 -5.834 -10.981 354 HG2 GLU 51 1HG GLU 51 1.226 -4.471 -9.025 355 HG3 GLU 51 2HG GLU 51 2.062 -5.739 -8.130 356 H LYS 52 H LYS 52 -1.467 -6.525 -7.637 357 HA LYS 52 HA LYS 52 -3.452 -5.197 -9.267 358 HB2 LYS 52 1HB LYS 52 -3.303 -5.744 -6.299 359 HB3 LYS 52 2HB LYS 52 -4.663 -4.950 -7.084 360 HG2 LYS 52 1HG LYS 52 -3.726 -7.664 -7.942 361 HG3 LYS 52 2HG LYS 52 -4.851 -7.448 -6.598 362 HD2 LYS 52 1HD LYS 52 -6.442 -6.359 -8.036 363 HD3 LYS 52 2HD LYS 52 -5.295 -6.362 -9.377 364 HE2 LYS 52 1HE LYS 52 -5.300 -8.881 -9.210 365 HE3 LYS 52 2HE LYS 52 -6.659 -8.723 -8.100 366 HZ1 LYS 52 3HZ LYS 52 -7.629 -9.052 -10.174 367 HZ2 LYS 52 1HZ LYS 52 -6.542 -8.028 -10.968 368 HZ3 LYS 52 2HZ LYS 52 -7.730 -7.377 -9.956 369 H SER 53 H SER 53 -4.421 -3.110 -8.275 370 HA SER 53 HA SER 53 -2.572 -1.329 -6.991 371 HB2 SER 53 1HB SER 53 -3.339 -0.696 -9.848 372 HB3 SER 53 2HB SER 53 -2.281 0.245 -8.796 373 HG SER 53 HG SER 53 -1.209 -1.168 -10.354 374 H VAL 54 H VAL 54 -3.617 0.317 -6.000 375 HA VAL 54 HA VAL 54 -6.394 0.876 -6.783 376 HB VAL 54 HB VAL 54 -7.045 1.004 -4.405 377 HG11 VAL 54 1HG1 VAL 54 -7.742 -0.994 -5.289 378 HG12 VAL 54 2HG1 VAL 54 -6.100 -1.540 -5.634 379 HG13 VAL 54 3HG1 VAL 54 -6.710 -1.565 -3.979 380 HG21 VAL 54 3HG2 VAL 54 -5.016 1.440 -3.283 381 HG22 VAL 54 1HG2 VAL 54 -5.505 -0.174 -2.767 382 HG23 VAL 54 2HG2 VAL 54 -4.236 0.019 -3.977 383 H SER 55 H SER 55 -7.218 2.923 -5.890 384 HA SER 55 HA SER 55 -5.068 4.919 -5.793 385 HB2 SER 55 1HB SER 55 -6.811 6.548 -6.427 386 HB3 SER 55 2HB SER 55 -6.712 5.222 -7.586 387 HG SER 55 HG SER 55 -8.589 5.409 -5.463 388 H VAL 56 H VAL 56 -5.215 6.693 -4.311 389 HA VAL 56 HA VAL 56 -7.003 6.336 -2.024 390 HB VAL 56 HB VAL 56 -3.999 6.531 -1.776 391 HG11 VAL 56 1HG1 VAL 56 -5.566 6.097 0.651 392 HG12 VAL 56 2HG1 VAL 56 -4.197 7.172 0.360 393 HG13 VAL 56 3HG1 VAL 56 -5.827 7.674 -0.092 394 HG21 VAL 56 3HG2 VAL 56 -5.413 4.292 -2.210 395 HG22 VAL 56 1HG2 VAL 56 -3.955 4.338 -1.220 396 HG23 VAL 56 2HG2 VAL 56 -5.542 4.387 -0.454 397 HA PRO 57 HA PRO 57 -7.260 10.725 -2.545 398 HB2 PRO 57 1HB PRO 57 -8.681 11.248 -0.292 399 HB3 PRO 57 2HB PRO 57 -9.402 10.530 -1.737 400 HG2 PRO 57 1HG PRO 57 -8.473 9.198 0.778 401 HG3 PRO 57 2HG PRO 57 -9.948 8.908 -0.163 402 HD2 PRO 57 1HD PRO 57 -7.770 7.309 -0.338 403 HD3 PRO 57 2HD PRO 57 -8.852 7.603 -1.715 404 H GLY 58 H GLY 58 -5.421 11.843 -2.243 405 HA2 GLY 58 1HA GLY 58 -3.464 11.690 -0.430 406 HA3 GLY 58 2HA GLY 58 -4.002 13.246 -1.044 407 H ALA 59 H ALA 59 -6.593 13.187 0.192 408 HA ALA 59 HA ALA 59 -6.236 14.561 2.490 409 HB1 ALA 59 3HB ALA 59 -8.492 14.165 3.034 410 HB2 ALA 59 1HB ALA 59 -8.408 14.066 1.275 411 HB3 ALA 59 2HB ALA 59 -8.491 12.591 2.239 412 H ARG 60 H ARG 60 -6.617 11.029 2.292 413 HA ARG 60 HA ARG 60 -5.738 10.828 5.087 414 HB2 ARG 60 1HB ARG 60 -6.663 8.584 5.074 415 HB3 ARG 60 2HB ARG 60 -7.872 9.729 4.509 416 HG2 ARG 60 1HG ARG 60 -7.005 9.065 2.147 417 HG3 ARG 60 2HG ARG 60 -6.385 7.642 2.986 418 HD2 ARG 60 1HD ARG 60 -9.229 8.513 3.334 419 HD3 ARG 60 2HD ARG 60 -8.746 7.552 1.937 420 HE ARG 60 HE ARG 60 -7.773 6.286 4.222 421 HH11 ARG 60 1HH1 ARG 60 -10.830 7.074 2.756 422 HH12 ARG 60 2HH1 ARG 60 -11.657 5.713 3.439 423 HH21 ARG 60 1HH2 ARG 60 -8.849 4.490 5.127 424 HH22 ARG 60 2HH2 ARG 60 -10.529 4.244 4.788 425 H SER 61 H SER 61 -4.206 9.142 5.652 426 HA SER 61 HA SER 61 -2.291 8.621 3.473 427 HB2 SER 61 1HB SER 61 -0.532 8.612 5.220 428 HB3 SER 61 2HB SER 61 -1.373 10.159 5.131 429 HG SER 61 HG SER 61 -2.068 8.110 6.961 430 H HIS 62 H HIS 62 -4.631 7.049 4.725 431 HA HIS 62 HA HIS 62 -3.179 4.514 4.840 432 HB2 HIS 62 1HB HIS 62 -4.742 3.823 6.750 433 HB3 HIS 62 2HB HIS 62 -3.411 4.904 7.154 434 HD1 HIS 62 1HD HIS 62 -3.999 7.194 8.063 435 HD2 HIS 62 2HD HIS 62 -7.315 5.062 6.750 436 HE1 HIS 62 1HE HIS 62 -5.996 8.502 8.854 437 HE2 HIS 62 2HE HIS 62 -7.990 7.149 8.121 438 H VAL 63 H VAL 63 -4.581 2.638 4.516 439 HA VAL 63 HA VAL 63 -7.282 3.026 3.627 440 HB VAL 63 HB VAL 63 -5.685 3.721 1.678 441 HG11 VAL 63 1HG1 VAL 63 -4.404 1.512 1.998 442 HG12 VAL 63 2HG1 VAL 63 -5.746 0.776 1.121 443 HG13 VAL 63 3HG1 VAL 63 -4.775 2.034 0.355 444 HG21 VAL 63 3HG2 VAL 63 -8.271 2.915 1.810 445 HG22 VAL 63 1HG2 VAL 63 -7.479 3.484 0.340 446 HG23 VAL 63 2HG2 VAL 63 -7.616 1.754 0.656 447 H THR 64 H THR 64 -7.940 0.859 2.364 448 HA THR 64 HA THR 64 -6.673 -1.425 3.711 449 HB THR 64 HB THR 64 -9.662 -1.290 3.442 450 HG1 THR 64 1HG THR 64 -9.649 0.208 4.932 451 HG21 THR 64 3HG2 THR 64 -8.183 -3.390 3.999 452 HG22 THR 64 1HG2 THR 64 -9.693 -3.102 4.863 453 HG23 THR 64 2HG2 THR 64 -8.154 -2.677 5.612 454 H LEU 65 H LEU 65 -6.453 -3.216 2.482 455 HA LEU 65 HA LEU 65 -7.475 -3.073 -0.266 456 HB2 LEU 65 1HB LEU 65 -5.326 -4.887 0.806 457 HB3 LEU 65 2HB LEU 65 -5.719 -4.572 -0.883 458 HG LEU 65 HG LEU 65 -4.662 -2.444 0.965 459 HD11 LEU 65 1HD1 LEU 65 -3.250 -4.621 -0.444 460 HD12 LEU 65 2HD1 LEU 65 -2.803 -3.727 1.008 461 HD13 LEU 65 3HD1 LEU 65 -2.553 -3.007 -0.582 462 HD21 LEU 65 3HD2 LEU 65 -5.657 -2.481 -1.707 463 HD22 LEU 65 1HD2 LEU 65 -3.937 -2.094 -1.742 464 HD23 LEU 65 2HD2 LEU 65 -5.040 -1.118 -0.771 465 HA PRO 66 HA PRO 66 -10.270 -6.256 1.388 466 HB2 PRO 66 1HB PRO 66 -12.150 -5.893 -0.536 467 HB3 PRO 66 2HB PRO 66 -12.032 -4.867 0.898 468 HG2 PRO 66 1HG PRO 66 -11.034 -4.363 -1.879 469 HG3 PRO 66 2HG PRO 66 -11.862 -3.255 -0.769 470 HD2 PRO 66 1HD PRO 66 -9.179 -3.216 -1.135 471 HD3 PRO 66 2HD PRO 66 -9.937 -2.804 0.417 472 H ASP 67 H ASP 67 -11.455 -8.062 0.131 473 HA ASP 67 HA ASP 67 -11.239 -9.989 -1.063 474 HB2 ASP 67 1HB ASP 67 -10.129 -8.096 -3.147 475 HB3 ASP 67 2HB ASP 67 -10.697 -9.735 -3.452 476 H LEU 68 H LEU 68 -9.327 -9.941 0.732 477 HA LEU 68 HA LEU 68 -6.837 -10.609 -0.694 478 HB2 LEU 68 1HB LEU 68 -7.379 -9.430 1.991 479 HB3 LEU 68 2HB LEU 68 -5.917 -10.385 1.751 480 HG LEU 68 HG LEU 68 -6.671 -7.856 0.289 481 HD11 LEU 68 1HD1 LEU 68 -5.945 -7.336 2.491 482 HD12 LEU 68 2HD1 LEU 68 -4.590 -7.021 1.409 483 HD13 LEU 68 3HD1 LEU 68 -4.611 -8.485 2.392 484 HD21 LEU 68 3HD2 LEU 68 -4.235 -8.134 -0.516 485 HD22 LEU 68 1HD2 LEU 68 -5.501 -9.075 -1.305 486 HD23 LEU 68 2HD2 LEU 68 -4.457 -9.835 -0.104 487 H GLN 69 H GLN 69 -5.565 -12.386 0.215 488 HA GLN 69 HA GLN 69 -7.286 -14.620 0.880 489 HB2 GLN 69 1HB GLN 69 -4.309 -14.503 0.368 490 HB3 GLN 69 2HB GLN 69 -5.242 -15.978 0.585 491 HG2 GLN 69 1HG GLN 69 -6.529 -15.475 -1.416 492 HG3 GLN 69 2HG GLN 69 -5.630 -13.973 -1.627 493 HE21 GLN 69 1HE2 GLN 69 -5.660 -15.663 -3.685 494 HE22 GLN 69 2HE2 GLN 69 -4.136 -16.455 -3.868 495 H ALA 70 H ALA 70 -5.886 -16.270 2.416 496 HA ALA 70 HA ALA 70 -5.481 -14.768 4.920 497 HB1 ALA 70 3HB ALA 70 -6.615 -16.352 6.114 498 HB2 ALA 70 1HB ALA 70 -7.474 -16.460 4.578 499 HB3 ALA 70 2HB ALA 70 -6.230 -17.645 4.978 500 H ALA 71 H ALA 71 -3.853 -15.474 6.350 501 HA ALA 71 HA ALA 71 -1.714 -16.100 6.832 502 HB1 ALA 71 3HB ALA 71 -1.604 -18.621 5.496 503 HB2 ALA 71 1HB ALA 71 -1.774 -18.283 7.218 504 HB3 ALA 71 2HB ALA 71 -3.207 -18.405 6.197 505 H THR 72 H THR 72 -1.933 -14.494 4.542 506 HA THR 72 HA THR 72 0.538 -15.211 3.207 507 HB THR 72 HB THR 72 -1.988 -14.779 1.599 508 HG1 THR 72 1HG THR 72 -1.755 -16.938 1.049 509 HG21 THR 72 3HG2 THR 72 0.650 -15.601 0.457 510 HG22 THR 72 1HG2 THR 72 0.327 -13.897 0.768 511 HG23 THR 72 2HG2 THR 72 -0.712 -14.805 -0.330 512 H LYS 73 H LYS 73 1.692 -13.418 3.442 513 HA LYS 73 HA LYS 73 0.610 -10.855 3.890 514 HB2 LYS 73 1HB LYS 73 2.781 -10.139 4.128 515 HB3 LYS 73 2HB LYS 73 2.994 -11.866 4.381 516 HG2 LYS 73 1HG LYS 73 3.429 -10.452 1.759 517 HG3 LYS 73 2HG LYS 73 4.702 -10.875 2.906 518 HD2 LYS 73 1HD LYS 73 2.859 -13.025 1.994 519 HD3 LYS 73 2HD LYS 73 4.086 -12.445 0.866 520 HE2 LYS 73 1HE LYS 73 5.846 -13.057 2.311 521 HE3 LYS 73 2HE LYS 73 4.753 -13.272 3.678 522 HZ1 LYS 73 3HZ LYS 73 3.937 -14.970 1.601 523 HZ2 LYS 73 1HZ LYS 73 4.530 -15.389 3.130 524 HZ3 LYS 73 2HZ LYS 73 5.598 -15.189 1.835 525 H TYR 74 H TYR 74 1.528 -8.950 2.450 526 HA TYR 74 HA TYR 74 1.336 -9.528 -0.394 527 HB2 TYR 74 1HB TYR 74 -0.717 -7.978 1.149 528 HB3 TYR 74 2HB TYR 74 -0.384 -7.567 -0.529 529 HD1 TYR 74 2HD TYR 74 -1.361 -10.416 1.658 530 HD2 TYR 74 1HD TYR 74 -1.422 -8.747 -2.255 531 HE1 TYR 74 2HE TYR 74 -2.878 -12.207 0.925 532 HE2 TYR 74 1HE TYR 74 -2.940 -10.534 -3.000 533 HH TYR 74 HH TYR 74 -4.701 -12.100 -1.728 534 H ARG 75 H ARG 75 3.103 -8.569 -1.145 535 HA ARG 75 HA ARG 75 4.522 -6.513 0.089 536 HB2 ARG 75 1HB ARG 75 5.111 -8.153 -1.906 537 HB3 ARG 75 2HB ARG 75 4.618 -6.775 -2.881 538 HG2 ARG 75 1HG ARG 75 6.259 -5.400 -1.543 539 HG3 ARG 75 2HG ARG 75 6.861 -6.925 -0.891 540 HD2 ARG 75 1HD ARG 75 6.683 -6.314 -3.835 541 HD3 ARG 75 2HD ARG 75 8.129 -6.036 -2.865 542 HE ARG 75 HE ARG 75 7.452 -8.661 -2.429 543 HH11 ARG 75 1HH1 ARG 75 8.241 -6.697 -5.193 544 HH12 ARG 75 2HH1 ARG 75 8.932 -8.007 -6.091 545 HH21 ARG 75 1HH2 ARG 75 8.359 -10.395 -3.601 546 HH22 ARG 75 2HH2 ARG 75 8.998 -10.110 -5.185 547 H VAL 76 H VAL 76 3.450 -4.682 0.628 548 HA VAL 76 HA VAL 76 1.721 -3.354 -1.284 549 HB VAL 76 HB VAL 76 2.482 -2.730 1.563 550 HG11 VAL 76 1HG1 VAL 76 0.969 -0.829 1.480 551 HG12 VAL 76 2HG1 VAL 76 2.275 -0.627 0.311 552 HG13 VAL 76 3HG1 VAL 76 0.671 -1.119 -0.234 553 HG21 VAL 76 3HG2 VAL 76 -0.188 -3.378 0.319 554 HG22 VAL 76 1HG2 VAL 76 0.852 -4.548 1.132 555 HG23 VAL 76 2HG2 VAL 76 0.167 -3.199 2.037 556 H LEU 77 H LEU 77 2.520 -2.042 -2.778 557 HA LEU 77 HA LEU 77 4.986 -0.549 -2.174 558 HB2 LEU 77 1HB LEU 77 3.958 -1.857 -4.628 559 HB3 LEU 77 2HB LEU 77 4.862 -0.358 -4.828 560 HG LEU 77 HG LEU 77 6.597 -1.651 -3.281 561 HD11 LEU 77 1HD1 LEU 77 5.956 -3.752 -2.902 562 HD12 LEU 77 2HD1 LEU 77 6.374 -4.056 -4.588 563 HD13 LEU 77 3HD1 LEU 77 4.707 -3.689 -4.146 564 HD21 LEU 77 3HD2 LEU 77 7.877 -1.656 -5.124 565 HD22 LEU 77 1HD2 LEU 77 6.489 -0.878 -5.885 566 HD23 LEU 77 2HD2 LEU 77 6.723 -2.619 -6.048 567 H VAL 78 H VAL 78 4.442 1.442 -1.543 568 HA VAL 78 HA VAL 78 2.266 2.831 -2.951 569 HB VAL 78 HB VAL 78 3.572 3.713 -0.382 570 HG11 VAL 78 1HG1 VAL 78 2.240 5.334 -1.790 571 HG12 VAL 78 2HG1 VAL 78 0.824 4.343 -1.433 572 HG13 VAL 78 3HG1 VAL 78 1.701 5.136 -0.123 573 HG21 VAL 78 3HG2 VAL 78 2.352 2.289 0.841 574 HG22 VAL 78 1HG2 VAL 78 0.919 2.519 -0.161 575 HG23 VAL 78 2HG2 VAL 78 2.164 1.372 -0.653 576 H SER 79 H SER 79 2.561 4.905 -3.781 577 HA SER 79 HA SER 79 5.237 6.059 -3.740 578 HB2 SER 79 1HB SER 79 3.936 5.781 -6.423 579 HB3 SER 79 2HB SER 79 5.643 5.968 -6.021 580 HG SER 79 HG SER 79 5.289 3.854 -6.652 581 H ALA 80 H ALA 80 5.086 8.175 -3.437 582 HA ALA 80 HA ALA 80 2.539 9.498 -3.570 583 HB1 ALA 80 3HB ALA 80 4.715 11.326 -3.200 584 HB2 ALA 80 1HB ALA 80 3.462 10.836 -2.060 585 HB3 ALA 80 2HB ALA 80 4.951 9.898 -2.192 586 H ILE 81 H ILE 81 1.732 10.647 -5.202 587 HA ILE 81 HA ILE 81 3.430 11.127 -7.539 588 HB ILE 81 HB ILE 81 0.434 11.135 -7.202 589 HG12 ILE 81 1HG1 ILE 81 0.451 9.191 -8.561 590 HG13 ILE 81 2HG1 ILE 81 2.121 9.454 -9.051 591 HG21 ILE 81 1HG2 ILE 81 0.325 12.566 -8.902 592 HG22 ILE 81 2HG2 ILE 81 2.065 12.480 -9.172 593 HG23 ILE 81 3HG2 ILE 81 0.997 11.290 -9.916 594 HD11 ILE 81 3HD1 ILE 81 1.314 8.828 -6.228 595 HD12 ILE 81 1HD1 ILE 81 1.747 7.598 -7.415 596 HD13 ILE 81 2HD1 ILE 81 2.933 8.808 -6.925 597 H TYR 82 H TYR 82 4.014 13.109 -8.181 598 HA TYR 82 HA TYR 82 2.759 15.418 -6.847 599 HB2 TYR 82 1HB TYR 82 5.663 15.114 -7.639 600 HB3 TYR 82 2HB TYR 82 4.943 16.548 -6.916 601 HD1 TYR 82 2HD TYR 82 5.935 13.054 -6.305 602 HD2 TYR 82 1HD TYR 82 4.506 16.663 -4.563 603 HE1 TYR 82 2HE TYR 82 6.412 12.155 -4.066 604 HE2 TYR 82 1HE TYR 82 4.980 15.775 -2.319 605 HH TYR 82 HH TYR 82 5.964 12.451 -1.829 606 H ALA 83 H ALA 83 3.006 17.474 -8.068 607 HA ALA 83 HA ALA 83 1.857 17.397 -10.550 608 HB1 ALA 83 3HB ALA 83 2.991 19.393 -8.875 609 HB2 ALA 83 1HB ALA 83 3.536 19.679 -10.528 610 HB3 ALA 83 2HB ALA 83 1.811 19.581 -10.172 611 H ALA 84 H ALA 84 5.325 17.543 -9.813 612 HA ALA 84 HA ALA 84 6.107 17.545 -12.571 613 HB1 ALA 84 3HB ALA 84 8.390 16.939 -11.431 614 HB2 ALA 84 1HB ALA 84 7.708 18.559 -11.280 615 HB3 ALA 84 2HB ALA 84 7.535 17.401 -9.960 616 H GLY 85 H GLY 85 6.222 15.122 -9.958 617 HA2 GLY 85 1HA GLY 85 5.618 12.977 -11.723 618 HA3 GLY 85 2HA GLY 85 7.340 13.019 -11.374 619 H ARG 86 H ARG 86 6.465 10.794 -10.579 620 HA ARG 86 HA ARG 86 5.542 11.033 -7.799 621 HB2 ARG 86 1HB ARG 86 5.010 8.611 -7.992 622 HB3 ARG 86 2HB ARG 86 4.127 9.612 -9.137 623 HG2 ARG 86 1HG ARG 86 5.213 8.752 -10.944 624 HG3 ARG 86 2HG ARG 86 6.686 8.408 -10.035 625 HD2 ARG 86 1HD ARG 86 5.226 6.655 -8.810 626 HD3 ARG 86 2HD ARG 86 4.146 6.830 -10.193 627 HE ARG 86 HE ARG 86 6.681 5.491 -10.138 628 HH11 ARG 86 1HH1 ARG 86 4.390 7.169 -12.153 629 HH12 ARG 86 2HH1 ARG 86 4.915 6.400 -13.614 630 HH21 ARG 86 1HH2 ARG 86 7.381 4.473 -12.056 631 HH22 ARG 86 2HH2 ARG 86 6.616 4.867 -13.558 632 H SER 87 H SER 87 6.696 10.171 -6.117 633 HA SER 87 HA SER 87 9.511 9.856 -6.520 634 HB2 SER 87 1HB SER 87 9.621 9.569 -4.092 635 HB3 SER 87 2HB SER 87 8.583 10.935 -4.499 636 HG SER 87 HG SER 87 7.716 8.313 -3.836 637 H GLU 88 H GLU 88 10.624 7.967 -5.297 638 HA GLU 88 HA GLU 88 10.233 5.624 -6.701 639 HB2 GLU 88 1HB GLU 88 11.774 4.593 -5.223 640 HB3 GLU 88 2HB GLU 88 12.248 6.283 -5.319 641 HG2 GLU 88 1HG GLU 88 10.823 6.575 -3.194 642 HG3 GLU 88 2HG GLU 88 10.942 4.821 -3.064 643 H ALA 89 H ALA 89 9.893 3.429 -5.413 644 HA ALA 89 HA ALA 89 7.282 3.661 -4.064 645 HB1 ALA 89 3HB ALA 89 7.008 2.593 -6.188 646 HB2 ALA 89 1HB ALA 89 8.335 1.480 -5.856 647 HB3 ALA 89 2HB ALA 89 6.837 1.368 -4.931 648 H VAL 90 H VAL 90 7.012 2.728 -2.115 649 HA VAL 90 HA VAL 90 9.333 1.338 -0.964 650 HB VAL 90 HB VAL 90 8.145 1.840 1.242 651 HG11 VAL 90 1HG1 VAL 90 9.000 4.283 -0.290 652 HG12 VAL 90 2HG1 VAL 90 9.188 3.950 1.433 653 HG13 VAL 90 3HG1 VAL 90 10.138 3.050 0.251 654 HG21 VAL 90 3HG2 VAL 90 6.695 3.889 -0.422 655 HG22 VAL 90 1HG2 VAL 90 5.963 2.373 0.106 656 HG23 VAL 90 2HG2 VAL 90 6.501 3.556 1.299 657 H SER 91 H SER 91 9.195 -0.785 -0.735 658 HA SER 91 HA SER 91 6.615 -2.107 -0.923 659 HB2 SER 91 1HB SER 91 7.776 -4.046 -1.450 660 HB3 SER 91 2HB SER 91 8.882 -2.812 -2.052 661 HG SER 91 HG SER 91 9.745 -3.019 0.261 662 H ALA 92 H ALA 92 5.850 -3.627 0.613 663 HA ALA 92 HA ALA 92 7.133 -3.832 3.192 664 HB1 ALA 92 3HB ALA 92 4.919 -3.015 4.294 665 HB2 ALA 92 1HB ALA 92 6.128 -1.840 3.775 666 HB3 ALA 92 2HB ALA 92 4.705 -2.142 2.777 667 H THR 93 H THR 93 6.751 -5.790 3.999 668 HA THR 93 HA THR 93 4.599 -7.387 2.816 669 HB THR 93 HB THR 93 5.829 -9.287 4.057 670 HG1 THR 93 1HG THR 93 7.138 -7.564 5.214 671 HG21 THR 93 3HG2 THR 93 7.327 -9.617 2.217 672 HG22 THR 93 1HG2 THR 93 7.338 -7.893 1.847 673 HG23 THR 93 2HG2 THR 93 5.873 -8.841 1.591 674 H GLY 94 H GLY 94 2.844 -7.966 3.936 675 HA2 GLY 94 1HA GLY 94 2.949 -7.909 6.872 676 HA3 GLY 94 2HA GLY 94 1.718 -6.962 6.050 677 H GLN 95 H GLN 95 2.718 -10.115 7.044 678 HA GLN 95 HA GLN 95 1.093 -11.792 5.591 679 HB2 GLN 95 1HB GLN 95 2.669 -12.710 7.140 680 HB3 GLN 95 2HB GLN 95 1.887 -11.914 8.499 681 HG2 GLN 95 1HG GLN 95 -0.123 -13.316 8.081 682 HG3 GLN 95 2HG GLN 95 0.798 -14.184 6.854 683 HE21 GLN 95 1HE2 GLN 95 0.202 -15.999 8.299 684 HE22 GLN 95 2HE2 GLN 95 1.262 -16.366 9.612 685 H THR 96 H THR 96 -1.025 -12.329 5.560 686 HA THR 96 HA THR 96 -2.884 -10.520 6.801 687 HB THR 96 HB THR 96 -4.547 -12.287 5.735 688 HG1 THR 96 1HG THR 96 -3.516 -13.261 3.897 689 HG21 THR 96 3HG2 THR 96 -4.832 -10.460 4.489 690 HG22 THR 96 1HG2 THR 96 -3.538 -11.039 3.441 691 HG23 THR 96 2HG2 THR 96 -3.170 -9.944 4.774 692 H ALA 97 H ALA 97 -5.023 -11.770 7.601 693 HA ALA 97 HA ALA 97 -4.174 -13.148 10.008 694 HB1 ALA 97 3HB ALA 97 -5.880 -11.318 10.023 695 HB2 ALA 97 1HB ALA 97 -6.980 -12.418 9.190 696 HB3 ALA 97 2HB ALA 97 -6.396 -12.811 10.808 697 H CYS 98 H CYS 98 -5.592 -15.025 10.753 698 HA CYS 98 HA CYS 98 -5.907 -16.901 8.505 699 HB2 CYS 98 1HB CYS 98 -5.487 -18.694 10.168 700 HB3 CYS 98 2HB CYS 98 -4.132 -17.583 10.007 701 HG CYS 98 HG CYS 98 -4.803 -18.538 12.724 702 HA PRO 99 HA PRO 99 -10.181 -17.357 9.394 703 HB2 PRO 99 1HB PRO 99 -10.579 -19.939 8.657 704 HB3 PRO 99 2HB PRO 99 -10.309 -18.638 7.491 705 HG2 PRO 99 1HG PRO 99 -8.372 -20.654 8.560 706 HG3 PRO 99 2HG PRO 99 -8.584 -20.079 6.897 707 HD2 PRO 99 1HD PRO 99 -6.612 -19.168 8.514 708 HD3 PRO 99 2HD PRO 99 -7.378 -18.151 7.277 709 H SER 100 H SER 100 -8.213 -20.123 10.484 710 HA SER 100 HA SER 100 -9.878 -21.292 12.294 711 HB2 SER 100 1HB SER 100 -7.392 -21.814 11.668 712 HB3 SER 100 2HB SER 100 -7.018 -20.827 13.081 713 HG SER 100 HG SER 100 -7.597 -23.338 13.107 714 H GLY 101 H GLY 101 -7.742 -18.516 12.938 715 HA2 GLY 101 1HA GLY 101 -7.971 -16.794 14.451 716 HA3 GLY 101 2HA GLY 101 -9.606 -17.359 14.763 717 HA PRO 102 HA PRO 102 -6.376 -18.597 18.130 718 HB2 PRO 102 1HB PRO 102 -6.340 -16.386 19.706 719 HB3 PRO 102 2HB PRO 102 -5.188 -16.647 18.391 720 HG2 PRO 102 1HG PRO 102 -7.675 -14.982 18.426 721 HG3 PRO 102 2HG PRO 102 -6.083 -14.601 17.744 722 HD2 PRO 102 1HD PRO 102 -8.159 -15.439 16.220 723 HD3 PRO 102 2HD PRO 102 -6.471 -15.826 15.831 724 H SER 103 H SER 103 -9.424 -16.922 18.062 725 HA SER 103 HA SER 103 -10.156 -17.860 20.724 726 HB2 SER 103 1HB SER 103 -11.677 -16.176 18.720 727 HB3 SER 103 2HB SER 103 -12.252 -16.583 20.337 728 HG SER 103 HG SER 103 -10.735 -14.559 19.658 729 H SER 104 H SER 104 -12.108 -19.082 21.081 730 HA SER 104 HA SER 104 -12.911 -20.735 18.780 731 HB2 SER 104 1HB SER 104 -12.066 -21.602 21.532 732 HB3 SER 104 2HB SER 104 -13.164 -22.599 20.577 733 HG SER 104 HG SER 104 -10.865 -21.677 19.311 734 H GLY 105 H GLY 105 -14.900 -19.904 18.403 735 HA2 GLY 105 1HA GLY 105 -16.937 -20.412 20.413 736 HA3 GLY 105 2HA GLY 105 -16.729 -18.726 19.961 Start of MODEL 20 1 H1 GLY 1 H GLY 1 14.487 13.163 -12.717 2 HA2 GLY 1 1HA GLY 1 14.435 15.915 -13.752 3 HA3 GLY 1 2HA GLY 1 13.024 15.290 -12.912 4 H SER 2 H SER 2 16.538 15.146 -12.322 5 HA SER 2 HA SER 2 16.385 15.173 -9.548 6 HB2 SER 2 1HB SER 2 18.577 16.185 -11.372 7 HB3 SER 2 2HB SER 2 18.759 15.987 -9.629 8 HG SER 2 HG SER 2 18.606 14.071 -11.637 9 H SER 3 H SER 3 16.911 16.858 -8.021 10 HA SER 3 HA SER 3 16.668 19.613 -8.876 11 HB2 SER 3 1HB SER 3 14.334 19.138 -8.734 12 HB3 SER 3 2HB SER 3 14.536 18.257 -7.220 13 HG SER 3 HG SER 3 14.467 21.002 -7.694 14 H GLY 4 H GLY 4 17.217 21.126 -7.230 15 HA2 GLY 4 1HA GLY 4 19.163 20.132 -5.392 16 HA3 GLY 4 2HA GLY 4 18.640 21.802 -5.549 17 H SER 5 H SER 5 16.499 22.329 -4.575 18 HA SER 5 HA SER 5 16.458 21.571 -1.865 19 HB2 SER 5 1HB SER 5 14.362 22.968 -3.541 20 HB3 SER 5 2HB SER 5 14.294 22.822 -1.785 21 HG SER 5 HG SER 5 16.204 24.017 -1.658 22 H SER 6 H SER 6 14.532 20.664 -0.732 23 HA SER 6 HA SER 6 13.931 18.087 -1.785 24 HB2 SER 6 1HB SER 6 13.171 19.594 0.692 25 HB3 SER 6 2HB SER 6 12.314 18.108 0.283 26 HG SER 6 HG SER 6 14.277 17.009 0.325 27 H GLY 7 H GLY 7 11.967 17.239 -2.478 28 HA2 GLY 7 1HA GLY 7 9.686 19.029 -2.777 29 HA3 GLY 7 2HA GLY 7 10.426 18.459 -4.265 30 H ARG 8 H ARG 8 10.652 16.044 -4.446 31 HA ARG 8 HA ARG 8 8.106 14.847 -3.720 32 HB2 ARG 8 1HB ARG 8 10.358 13.936 -5.514 33 HB3 ARG 8 2HB ARG 8 8.927 12.966 -5.192 34 HG2 ARG 8 1HG ARG 8 7.518 14.701 -6.158 35 HG3 ARG 8 2HG ARG 8 8.943 15.698 -6.458 36 HD2 ARG 8 1HD ARG 8 8.580 12.931 -7.590 37 HD3 ARG 8 2HD ARG 8 8.091 14.398 -8.437 38 HE ARG 8 HE ARG 8 10.837 14.394 -7.570 39 HH11 ARG 8 1HH1 ARG 8 8.615 13.531 -10.107 40 HH12 ARG 8 2HH1 ARG 8 9.825 13.537 -11.347 41 HH21 ARG 8 1HH2 ARG 8 12.439 14.405 -9.194 42 HH22 ARG 8 2HH2 ARG 8 12.000 14.034 -10.827 43 H SER 9 H SER 9 7.860 13.634 -1.974 44 HA SER 9 HA SER 9 10.155 12.077 -0.992 45 HB2 SER 9 1HB SER 9 9.751 14.158 0.381 46 HB3 SER 9 2HB SER 9 8.181 13.484 0.816 47 HG SER 9 HG SER 9 10.659 12.870 1.766 48 HA PRO 10 HA PRO 10 7.110 8.850 -1.387 49 HB2 PRO 10 1HB PRO 10 8.728 6.841 -0.539 50 HB3 PRO 10 2HB PRO 10 8.830 7.537 -2.161 51 HG2 PRO 10 1HG PRO 10 10.515 8.096 0.249 52 HG3 PRO 10 2HG PRO 10 11.014 7.874 -1.438 53 HD2 PRO 10 1HD PRO 10 10.778 10.319 -0.299 54 HD3 PRO 10 2HD PRO 10 10.453 10.032 -2.020 55 HA PRO 11 HA PRO 11 5.487 8.315 2.669 56 HB2 PRO 11 1HB PRO 11 4.269 5.901 2.424 57 HB3 PRO 11 2HB PRO 11 3.642 7.374 1.674 58 HG2 PRO 11 1HG PRO 11 5.260 5.169 0.456 59 HG3 PRO 11 2HG PRO 11 3.851 6.020 -0.205 60 HD2 PRO 11 1HD PRO 11 6.389 6.607 -0.946 61 HD3 PRO 11 2HD PRO 11 5.105 7.832 -0.880 62 H SER 12 H SER 12 6.484 7.794 4.503 63 HA SER 12 HA SER 12 8.100 5.329 4.576 64 HB2 SER 12 1HB SER 12 8.547 7.828 6.223 65 HB3 SER 12 2HB SER 12 9.602 6.418 6.123 66 HG SER 12 HG SER 12 10.373 8.071 4.787 67 H ASN 13 H ASN 13 8.503 4.688 6.996 68 HA ASN 13 HA ASN 13 7.641 3.807 8.907 69 HB2 ASN 13 1HB ASN 13 5.867 6.237 8.652 70 HB3 ASN 13 2HB ASN 13 5.784 5.135 10.023 71 HD21 ASN 13 1HD2 ASN 13 7.557 7.640 8.470 72 HD22 ASN 13 2HD2 ASN 13 8.735 7.874 9.712 73 H LEU 14 H LEU 14 6.818 2.648 6.526 74 HA LEU 14 HA LEU 14 4.034 2.321 6.276 75 HB2 LEU 14 1HB LEU 14 6.445 0.888 5.318 76 HB3 LEU 14 2HB LEU 14 4.915 0.015 5.269 77 HG LEU 14 HG LEU 14 5.409 2.675 3.934 78 HD11 LEU 14 1HD1 LEU 14 5.359 -0.097 2.750 79 HD12 LEU 14 2HD1 LEU 14 6.781 0.930 2.925 80 HD13 LEU 14 3HD1 LEU 14 5.473 1.413 1.847 81 HD21 LEU 14 3HD2 LEU 14 3.210 2.739 3.657 82 HD22 LEU 14 1HD2 LEU 14 3.037 1.227 4.550 83 HD23 LEU 14 2HD2 LEU 14 3.277 1.196 2.802 84 H ALA 15 H ALA 15 2.601 1.138 7.373 85 HA ALA 15 HA ALA 15 3.570 -1.016 9.118 86 HB1 ALA 15 3HB ALA 15 2.168 1.448 9.925 87 HB2 ALA 15 1HB ALA 15 1.574 -0.050 10.643 88 HB3 ALA 15 2HB ALA 15 3.265 0.412 10.837 89 H LEU 16 H LEU 16 2.687 -2.754 8.176 90 HA LEU 16 HA LEU 16 -0.010 -2.625 7.085 91 HB2 LEU 16 1HB LEU 16 2.295 -4.473 6.861 92 HB3 LEU 16 2HB LEU 16 0.686 -5.169 6.674 93 HG LEU 16 HG LEU 16 0.265 -3.506 4.854 94 HD11 LEU 16 1HD1 LEU 16 3.190 -2.932 5.282 95 HD12 LEU 16 2HD1 LEU 16 1.843 -1.800 5.397 96 HD13 LEU 16 3HD1 LEU 16 2.294 -2.477 3.832 97 HD21 LEU 16 3HD2 LEU 16 1.786 -4.657 3.212 98 HD22 LEU 16 1HD2 LEU 16 0.810 -5.727 4.220 99 HD23 LEU 16 2HD2 LEU 16 2.518 -5.486 4.587 100 H ALA 17 H ALA 17 -1.688 -3.027 8.352 101 HA ALA 17 HA ALA 17 -1.349 -4.917 10.588 102 HB1 ALA 17 3HB ALA 17 -3.565 -3.599 11.303 103 HB2 ALA 17 1HB ALA 17 -1.942 -3.061 11.737 104 HB3 ALA 17 2HB ALA 17 -2.772 -2.337 10.359 105 H SER 18 H SER 18 -2.460 -6.753 10.501 106 HA SER 18 HA SER 18 -4.541 -7.035 8.458 107 HB2 SER 18 1HB SER 18 -2.664 -8.654 8.441 108 HB3 SER 18 2HB SER 18 -3.122 -9.177 10.062 109 HG SER 18 HG SER 18 -5.180 -9.202 8.240 110 H GLU 19 H GLU 19 -6.614 -7.065 9.001 111 HA GLU 19 HA GLU 19 -7.321 -7.657 11.800 112 HB2 GLU 19 1HB GLU 19 -8.963 -6.024 11.771 113 HB3 GLU 19 2HB GLU 19 -7.700 -5.283 10.798 114 HG2 GLU 19 1HG GLU 19 -8.847 -5.801 8.777 115 HG3 GLU 19 2HG GLU 19 -10.022 -6.796 9.635 116 H THR 20 H THR 20 -7.953 -8.304 8.450 117 HA THR 20 HA THR 20 -9.620 -10.572 9.218 118 HB THR 20 HB THR 20 -11.387 -9.109 8.779 119 HG1 THR 20 1HG THR 20 -12.286 -9.982 6.949 120 HG21 THR 20 3HG2 THR 20 -9.733 -7.389 7.742 121 HG22 THR 20 1HG2 THR 20 -11.425 -7.365 7.248 122 HG23 THR 20 2HG2 THR 20 -10.214 -8.115 6.209 123 HA PRO 21 HA PRO 21 -7.294 -12.605 6.087 124 HB2 PRO 21 1HB PRO 21 -8.987 -14.646 5.510 125 HB3 PRO 21 2HB PRO 21 -8.047 -14.572 7.005 126 HG2 PRO 21 1HG PRO 21 -10.913 -13.848 6.531 127 HG3 PRO 21 2HG PRO 21 -10.193 -14.741 7.884 128 HD2 PRO 21 1HD PRO 21 -10.856 -12.121 8.056 129 HD3 PRO 21 2HD PRO 21 -9.483 -12.819 8.939 130 H ASP 22 H ASP 22 -9.924 -10.758 5.458 131 HA ASP 22 HA ASP 22 -9.844 -11.371 2.576 132 HB2 ASP 22 1HB ASP 22 -12.157 -10.433 2.464 133 HB3 ASP 22 2HB ASP 22 -12.038 -11.913 3.412 134 H SER 23 H SER 23 -8.908 -9.213 4.874 135 HA SER 23 HA SER 23 -8.422 -7.155 2.904 136 HB2 SER 23 1HB SER 23 -9.863 -6.320 5.415 137 HB3 SER 23 2HB SER 23 -9.588 -5.385 3.946 138 HG SER 23 HG SER 23 -10.922 -7.211 2.970 139 H LEU 24 H LEU 24 -6.813 -5.667 3.534 140 HA LEU 24 HA LEU 24 -5.476 -6.226 6.089 141 HB2 LEU 24 1HB LEU 24 -4.360 -7.458 4.254 142 HB3 LEU 24 2HB LEU 24 -4.069 -5.922 3.440 143 HG LEU 24 HG LEU 24 -2.855 -5.359 5.728 144 HD11 LEU 24 1HD1 LEU 24 -3.388 -7.406 6.867 145 HD12 LEU 24 2HD1 LEU 24 -1.655 -7.367 6.541 146 HD13 LEU 24 3HD1 LEU 24 -2.717 -8.364 5.546 147 HD21 LEU 24 3HD2 LEU 24 -2.064 -6.301 3.149 148 HD22 LEU 24 1HD2 LEU 24 -0.966 -6.946 4.369 149 HD23 LEU 24 2HD2 LEU 24 -1.217 -5.205 4.241 150 H GLN 25 H GLN 25 -5.212 -4.422 7.213 151 HA GLN 25 HA GLN 25 -5.636 -1.849 6.009 152 HB2 GLN 25 1HB GLN 25 -6.199 -2.740 8.438 153 HB3 GLN 25 2HB GLN 25 -4.585 -2.135 8.786 154 HG2 GLN 25 1HG GLN 25 -5.903 -0.328 9.310 155 HG3 GLN 25 2HG GLN 25 -5.422 0.036 7.653 156 HE21 GLN 25 1HE2 GLN 25 -7.896 -2.103 9.021 157 HE22 GLN 25 2HE2 GLN 25 -9.222 -1.401 8.165 158 H VAL 26 H VAL 26 -4.171 -0.257 5.599 159 HA VAL 26 HA VAL 26 -1.365 -0.696 6.300 160 HB VAL 26 HB VAL 26 -1.436 -1.654 4.115 161 HG11 VAL 26 1HG1 VAL 26 -2.878 0.849 3.246 162 HG12 VAL 26 2HG1 VAL 26 -2.306 -0.422 2.163 163 HG13 VAL 26 3HG1 VAL 26 -3.559 -0.774 3.354 164 HG21 VAL 26 3HG2 VAL 26 -0.388 1.172 3.996 165 HG22 VAL 26 1HG2 VAL 26 0.493 -0.264 4.520 166 HG23 VAL 26 2HG2 VAL 26 0.002 -0.096 2.834 167 H SER 27 H SER 27 -0.501 1.108 7.076 168 HA SER 27 HA SER 27 -1.629 3.692 6.222 169 HB2 SER 27 1HB SER 27 -1.531 4.537 8.437 170 HB3 SER 27 2HB SER 27 -2.263 2.939 8.581 171 HG SER 27 HG SER 27 0.021 3.869 9.669 172 H TRP 28 H TRP 28 -0.102 5.543 6.777 173 HA TRP 28 HA TRP 28 2.686 4.995 7.006 174 HB2 TRP 28 1HB TRP 28 3.290 5.893 4.732 175 HB3 TRP 28 2HB TRP 28 2.545 4.297 4.721 176 HD1 TRP 28 HD TRP 28 1.725 7.969 3.897 177 HE1 TRP 28 1HE TRP 28 -0.242 8.003 2.236 178 HE3 TRP 28 3HE TRP 28 0.609 2.980 3.856 179 HZ2 TRP 28 2HZ TRP 28 -2.030 6.160 1.065 180 HZ3 TRP 28 3HZ TRP 28 -1.244 2.197 2.439 181 HH2 TRP 28 HH TRP 28 -2.535 3.756 1.074 182 H THR 29 H THR 29 3.981 7.068 6.490 183 HA THR 29 HA THR 29 2.517 9.291 7.699 184 HB THR 29 HB THR 29 5.475 8.830 7.294 185 HG1 THR 29 1HG THR 29 4.490 7.668 9.018 186 HG21 THR 29 3HG2 THR 29 4.770 11.244 7.086 187 HG22 THR 29 1HG2 THR 29 5.907 10.899 8.388 188 HG23 THR 29 2HG2 THR 29 4.198 11.139 8.751 189 HA PRO 30 HA PRO 30 2.223 11.095 3.613 190 HB2 PRO 30 1HB PRO 30 0.788 13.261 4.401 191 HB3 PRO 30 2HB PRO 30 0.068 11.662 4.175 192 HG2 PRO 30 1HG PRO 30 0.941 13.006 6.703 193 HG3 PRO 30 2HG PRO 30 -0.529 12.066 6.386 194 HD2 PRO 30 1HD PRO 30 1.618 11.024 7.666 195 HD3 PRO 30 2HD PRO 30 0.557 10.048 6.630 196 HA PRO 31 HA PRO 31 5.702 13.849 3.970 197 HB2 PRO 31 1HB PRO 31 5.799 14.556 1.351 198 HB3 PRO 31 2HB PRO 31 6.381 12.997 1.947 199 HG2 PRO 31 1HG PRO 31 3.774 13.672 0.640 200 HG3 PRO 31 2HG PRO 31 4.832 12.275 0.369 201 HD2 PRO 31 1HD PRO 31 2.604 12.139 1.902 202 HD3 PRO 31 2HD PRO 31 4.050 11.162 2.230 203 H LEU 32 H LEU 32 6.149 16.117 2.757 204 HA LEU 32 HA LEU 32 3.912 17.821 3.568 205 HB2 LEU 32 1HB LEU 32 6.237 18.142 4.482 206 HB3 LEU 32 2HB LEU 32 6.717 18.661 2.867 207 HG LEU 32 HG LEU 32 4.461 20.062 4.229 208 HD11 LEU 32 1HD1 LEU 32 5.706 20.764 5.921 209 HD12 LEU 32 2HD1 LEU 32 6.814 21.504 4.767 210 HD13 LEU 32 3HD1 LEU 32 7.094 19.854 5.324 211 HD21 LEU 32 3HD2 LEU 32 5.421 21.971 2.975 212 HD22 LEU 32 1HD2 LEU 32 4.929 20.632 1.937 213 HD23 LEU 32 2HD2 LEU 32 6.636 20.880 2.307 214 H GLY 33 H GLY 33 6.123 17.294 0.844 215 HA2 GLY 33 1HA GLY 33 5.329 19.286 -0.876 216 HA3 GLY 33 2HA GLY 33 5.833 17.688 -1.403 217 H ARG 34 H ARG 34 3.653 19.696 -2.212 218 HA ARG 34 HA ARG 34 1.124 18.700 -1.684 219 HB2 ARG 34 1HB ARG 34 1.730 20.819 -2.936 220 HB3 ARG 34 2HB ARG 34 1.981 19.811 -4.355 221 HG2 ARG 34 1HG ARG 34 -0.611 19.874 -2.836 222 HG3 ARG 34 2HG ARG 34 -0.254 20.953 -4.186 223 HD2 ARG 34 1HD ARG 34 0.257 18.855 -5.526 224 HD3 ARG 34 2HD ARG 34 -0.488 17.956 -4.205 225 HE ARG 34 HE ARG 34 -2.557 18.731 -4.867 226 HH11 ARG 34 1HH1 ARG 34 -0.041 20.390 -6.609 227 HH12 ARG 34 2HH1 ARG 34 -1.126 21.113 -7.749 228 HH21 ARG 34 1HH2 ARG 34 -3.997 19.677 -6.362 229 HH22 ARG 34 2HH2 ARG 34 -3.377 20.708 -7.607 230 H VAL 35 H VAL 35 0.738 16.556 -1.748 231 HA VAL 35 HA VAL 35 1.470 15.083 -4.188 232 HB VAL 35 HB VAL 35 2.388 14.037 -2.238 233 HG11 VAL 35 1HG1 VAL 35 0.199 13.166 -0.730 234 HG12 VAL 35 2HG1 VAL 35 1.418 14.353 -0.263 235 HG13 VAL 35 3HG1 VAL 35 -0.081 14.880 -1.028 236 HG21 VAL 35 3HG2 VAL 35 -0.001 12.645 -3.407 237 HG22 VAL 35 1HG2 VAL 35 1.708 12.408 -3.773 238 HG23 VAL 35 2HG2 VAL 35 1.050 11.851 -2.234 239 H LEU 36 H LEU 36 -0.127 14.942 -5.615 240 HA LEU 36 HA LEU 36 -2.807 15.500 -5.175 241 HB2 LEU 36 1HB LEU 36 -1.752 13.602 -7.261 242 HB3 LEU 36 2HB LEU 36 -3.241 14.543 -7.328 243 HG LEU 36 HG LEU 36 -0.532 15.845 -7.247 244 HD11 LEU 36 1HD1 LEU 36 -1.449 14.194 -9.304 245 HD12 LEU 36 2HD1 LEU 36 -0.125 15.356 -9.372 246 HD13 LEU 36 3HD1 LEU 36 -1.750 15.843 -9.853 247 HD21 LEU 36 3HD2 LEU 36 -3.148 16.832 -8.366 248 HD22 LEU 36 1HD2 LEU 36 -1.676 17.758 -8.069 249 HD23 LEU 36 2HD2 LEU 36 -2.619 17.141 -6.712 250 H HIS 37 H HIS 37 -1.568 12.232 -5.888 251 HA HIS 37 HA HIS 37 -3.345 11.152 -3.825 252 HB2 HIS 37 1HB HIS 37 -4.016 9.325 -5.425 253 HB3 HIS 37 2HB HIS 37 -4.671 10.915 -5.802 254 HD1 HIS 37 1HD HIS 37 -2.941 8.145 -7.314 255 HD2 HIS 37 2HD HIS 37 -3.072 12.252 -7.924 256 HE1 HIS 37 1HE HIS 37 -2.042 8.509 -9.634 257 HE2 HIS 37 2HE HIS 37 -2.051 11.008 -9.948 258 H TYR 38 H TYR 38 -2.853 8.866 -3.314 259 HA TYR 38 HA TYR 38 0.036 8.385 -3.567 260 HB2 TYR 38 1HB TYR 38 -1.952 7.415 -1.505 261 HB3 TYR 38 2HB TYR 38 -0.261 6.931 -1.557 262 HD1 TYR 38 2HD TYR 38 1.517 8.672 -1.211 263 HD2 TYR 38 1HD TYR 38 -2.606 9.465 -0.522 264 HE1 TYR 38 2HE TYR 38 2.126 10.635 0.140 265 HE2 TYR 38 1HE TYR 38 -2.009 11.431 0.830 266 HH TYR 38 HH TYR 38 0.081 12.150 2.210 267 H TRP 39 H TRP 39 0.072 7.290 -5.518 268 HA TRP 39 HA TRP 39 -1.658 5.248 -6.309 269 HB2 TRP 39 1HB TRP 39 0.015 6.453 -7.759 270 HB3 TRP 39 2HB TRP 39 1.269 5.446 -7.038 271 HD1 TRP 39 HD TRP 39 1.913 3.587 -8.658 272 HE1 TRP 39 1HE TRP 39 0.669 2.047 -10.304 273 HE3 TRP 39 3HE TRP 39 -2.828 5.397 -8.038 274 HZ2 TRP 39 2HZ TRP 39 -1.972 1.653 -11.218 275 HZ3 TRP 39 3HZ TRP 39 -4.656 4.384 -9.336 276 HH2 TRP 39 HH TRP 39 -4.235 2.551 -10.893 277 H LEU 40 H LEU 40 -2.087 3.532 -5.064 278 HA LEU 40 HA LEU 40 0.115 2.182 -3.679 279 HB2 LEU 40 1HB LEU 40 -2.222 2.907 -2.672 280 HB3 LEU 40 2HB LEU 40 -2.724 1.358 -3.347 281 HG LEU 40 HG LEU 40 -0.318 1.410 -1.597 282 HD11 LEU 40 1HD1 LEU 40 -1.440 2.431 0.047 283 HD12 LEU 40 2HD1 LEU 40 -2.327 0.913 0.182 284 HD13 LEU 40 3HD1 LEU 40 -2.994 2.242 -0.765 285 HD21 LEU 40 3HD2 LEU 40 -0.626 -0.790 -1.634 286 HD22 LEU 40 1HD2 LEU 40 -1.890 -0.531 -2.837 287 HD23 LEU 40 2HD2 LEU 40 -2.307 -0.623 -1.126 288 H THR 41 H THR 41 0.815 0.211 -4.245 289 HA THR 41 HA THR 41 -0.765 -1.336 -6.185 290 HB THR 41 HB THR 41 1.581 -2.046 -7.096 291 HG1 THR 41 1HG THR 41 3.153 -0.932 -6.234 292 HG21 THR 41 3HG2 THR 41 1.388 0.456 -8.306 293 HG22 THR 41 1HG2 THR 41 -0.253 0.085 -7.780 294 HG23 THR 41 2HG2 THR 41 0.610 -1.036 -8.834 295 H TYR 42 H TYR 42 -1.444 -2.787 -4.615 296 HA TYR 42 HA TYR 42 0.554 -4.171 -3.013 297 HB2 TYR 42 1HB TYR 42 -1.253 -5.079 -1.774 298 HB3 TYR 42 2HB TYR 42 -1.695 -3.408 -2.105 299 HD1 TYR 42 2HD TYR 42 -2.427 -6.919 -2.856 300 HD2 TYR 42 1HD TYR 42 -3.522 -2.877 -3.608 301 HE1 TYR 42 2HE TYR 42 -4.540 -7.684 -3.855 302 HE2 TYR 42 1HE TYR 42 -5.640 -3.631 -4.607 303 HH TYR 42 HH TYR 42 -7.090 -5.484 -4.669 304 H ALA 43 H ALA 43 1.105 -6.299 -3.223 305 HA ALA 43 HA ALA 43 -0.272 -8.136 -4.901 306 HB1 ALA 43 3HB ALA 43 2.259 -8.026 -6.188 307 HB2 ALA 43 1HB ALA 43 0.656 -7.776 -6.881 308 HB3 ALA 43 2HB ALA 43 1.552 -6.411 -6.214 309 HA PRO 44 HA PRO 44 2.080 -11.120 -2.704 310 HB2 PRO 44 1HB PRO 44 2.689 -12.998 -4.567 311 HB3 PRO 44 2HB PRO 44 1.053 -12.763 -3.939 312 HG2 PRO 44 1HG PRO 44 2.260 -11.778 -6.495 313 HG3 PRO 44 2HG PRO 44 0.658 -12.484 -6.213 314 HD2 PRO 44 1HD PRO 44 1.053 -9.816 -6.452 315 HD3 PRO 44 2HD PRO 44 -0.212 -10.505 -5.414 316 H ALA 45 H ALA 45 4.089 -11.065 -1.932 317 HA ALA 45 HA ALA 45 6.220 -9.720 -2.990 318 HB1 ALA 45 3HB ALA 45 5.855 -10.890 -0.665 319 HB2 ALA 45 1HB ALA 45 6.806 -12.175 -1.410 320 HB3 ALA 45 2HB ALA 45 7.478 -10.550 -1.265 321 H SER 46 H SER 46 6.241 -13.280 -2.852 322 HA SER 46 HA SER 46 7.925 -13.304 -5.244 323 HB2 SER 46 1HB SER 46 7.323 -15.379 -3.136 324 HB3 SER 46 2HB SER 46 8.195 -15.764 -4.620 325 HG SER 46 HG SER 46 9.203 -14.797 -2.414 326 H GLY 47 H GLY 47 4.813 -13.095 -4.890 327 HA2 GLY 47 1HA GLY 47 3.423 -15.205 -5.856 328 HA3 GLY 47 2HA GLY 47 3.099 -13.558 -6.374 329 H LEU 48 H LEU 48 5.699 -13.260 -7.681 330 HA LEU 48 HA LEU 48 6.408 -13.356 -9.854 331 HB2 LEU 48 1HB LEU 48 6.339 -16.121 -8.805 332 HB3 LEU 48 2HB LEU 48 6.574 -15.939 -10.542 333 HG LEU 48 HG LEU 48 8.320 -14.355 -8.730 334 HD11 LEU 48 1HD1 LEU 48 8.564 -17.326 -9.160 335 HD12 LEU 48 2HD1 LEU 48 8.418 -16.469 -7.625 336 HD13 LEU 48 3HD1 LEU 48 9.880 -16.296 -8.596 337 HD21 LEU 48 3HD2 LEU 48 9.894 -14.612 -10.486 338 HD22 LEU 48 1HD2 LEU 48 8.346 -14.244 -11.245 339 HD23 LEU 48 2HD2 LEU 48 8.951 -15.900 -11.236 340 H GLY 49 H GLY 49 3.752 -12.752 -9.829 341 HA2 GLY 49 1HA GLY 49 2.915 -13.842 -12.378 342 HA3 GLY 49 2HA GLY 49 1.857 -14.240 -11.032 343 HA PRO 50 HA PRO 50 -0.045 -10.434 -12.498 344 HB2 PRO 50 1HB PRO 50 -2.369 -10.814 -11.149 345 HB3 PRO 50 2HB PRO 50 -2.006 -11.616 -12.682 346 HG2 PRO 50 1HG PRO 50 -1.782 -12.675 -9.891 347 HG3 PRO 50 2HG PRO 50 -2.419 -13.471 -11.342 348 HD2 PRO 50 1HD PRO 50 0.072 -13.948 -10.392 349 HD3 PRO 50 2HD PRO 50 -0.317 -14.005 -12.123 350 H GLU 51 H GLU 51 -0.962 -8.540 -11.401 351 HA GLU 51 HA GLU 51 -0.269 -8.337 -8.557 352 HB2 GLU 51 1HB GLU 51 1.043 -6.430 -8.808 353 HB3 GLU 51 2HB GLU 51 1.543 -7.429 -10.166 354 HG2 GLU 51 1HG GLU 51 -0.177 -4.981 -10.171 355 HG3 GLU 51 2HG GLU 51 1.310 -5.295 -11.063 356 H LYS 52 H LYS 52 -1.108 -6.213 -7.631 357 HA LYS 52 HA LYS 52 -3.608 -5.396 -8.944 358 HB2 LYS 52 1HB LYS 52 -3.295 -6.080 -6.014 359 HB3 LYS 52 2HB LYS 52 -4.745 -5.416 -6.754 360 HG2 LYS 52 1HG LYS 52 -3.526 -8.039 -7.576 361 HG3 LYS 52 2HG LYS 52 -4.777 -7.886 -6.339 362 HD2 LYS 52 1HD LYS 52 -6.385 -7.205 -7.870 363 HD3 LYS 52 2HD LYS 52 -5.181 -6.688 -9.053 364 HE2 LYS 52 1HE LYS 52 -5.320 -9.566 -8.289 365 HE3 LYS 52 2HE LYS 52 -6.539 -8.915 -9.383 366 HZ1 LYS 52 3HZ LYS 52 -4.467 -9.905 -10.419 367 HZ2 LYS 52 1HZ LYS 52 -3.646 -8.533 -9.867 368 HZ3 LYS 52 2HZ LYS 52 -4.924 -8.370 -10.962 369 H SER 53 H SER 53 -4.495 -3.355 -8.045 370 HA SER 53 HA SER 53 -2.693 -1.654 -6.566 371 HB2 SER 53 1HB SER 53 -2.553 0.074 -8.345 372 HB3 SER 53 2HB SER 53 -1.737 -1.423 -8.794 373 HG SER 53 HG SER 53 -3.588 -0.181 -10.149 374 H VAL 54 H VAL 54 -3.664 0.316 -5.891 375 HA VAL 54 HA VAL 54 -6.496 0.682 -6.524 376 HB VAL 54 HB VAL 54 -7.127 0.885 -4.175 377 HG11 VAL 54 1HG1 VAL 54 -5.868 -1.697 -5.049 378 HG12 VAL 54 2HG1 VAL 54 -6.742 -1.557 -3.522 379 HG13 VAL 54 3HG1 VAL 54 -7.572 -1.244 -5.047 380 HG21 VAL 54 3HG2 VAL 54 -5.602 0.206 -2.392 381 HG22 VAL 54 1HG2 VAL 54 -4.315 -0.032 -3.575 382 HG23 VAL 54 2HG2 VAL 54 -4.958 1.585 -3.284 383 H SER 55 H SER 55 -7.273 2.777 -6.174 384 HA SER 55 HA SER 55 -5.184 4.804 -6.091 385 HB2 SER 55 1HB SER 55 -6.711 6.259 -7.113 386 HB3 SER 55 2HB SER 55 -7.135 4.691 -7.800 387 HG SER 55 HG SER 55 -8.826 6.219 -6.779 388 H VAL 56 H VAL 56 -5.022 6.410 -4.577 389 HA VAL 56 HA VAL 56 -6.934 6.392 -2.347 390 HB VAL 56 HB VAL 56 -3.929 6.391 -2.031 391 HG11 VAL 56 1HG1 VAL 56 -5.633 7.720 -0.439 392 HG12 VAL 56 2HG1 VAL 56 -5.713 6.122 0.306 393 HG13 VAL 56 3HG1 VAL 56 -4.161 6.945 0.149 394 HG21 VAL 56 3HG2 VAL 56 -5.880 4.343 -1.009 395 HG22 VAL 56 1HG2 VAL 56 -5.077 4.195 -2.572 396 HG23 VAL 56 2HG2 VAL 56 -4.121 4.234 -1.090 397 HA PRO 57 HA PRO 57 -6.770 10.749 -3.207 398 HB2 PRO 57 1HB PRO 57 -8.399 11.515 -1.175 399 HB3 PRO 57 2HB PRO 57 -9.002 10.776 -2.663 400 HG2 PRO 57 1HG PRO 57 -8.500 9.520 0.008 401 HG3 PRO 57 2HG PRO 57 -9.872 9.297 -1.094 402 HD2 PRO 57 1HD PRO 57 -7.838 7.518 -0.922 403 HD3 PRO 57 2HD PRO 57 -8.717 7.820 -2.434 404 H GLY 58 H GLY 58 -5.020 11.911 -2.713 405 HA2 GLY 58 1HA GLY 58 -3.220 11.677 -0.742 406 HA3 GLY 58 2HA GLY 58 -3.661 13.252 -1.387 407 H ALA 59 H ALA 59 -6.321 13.334 -0.389 408 HA ALA 59 HA ALA 59 -6.127 14.654 1.948 409 HB1 ALA 59 3HB ALA 59 -8.216 13.751 0.431 410 HB2 ALA 59 1HB ALA 59 -8.475 12.917 1.964 411 HB3 ALA 59 2HB ALA 59 -8.364 14.677 1.925 412 H ARG 60 H ARG 60 -6.477 11.136 1.644 413 HA ARG 60 HA ARG 60 -5.955 10.877 4.524 414 HB2 ARG 60 1HB ARG 60 -6.795 8.575 4.287 415 HB3 ARG 60 2HB ARG 60 -7.980 9.763 3.759 416 HG2 ARG 60 1HG ARG 60 -7.078 9.331 1.400 417 HG3 ARG 60 2HG ARG 60 -6.331 7.894 2.101 418 HD2 ARG 60 1HD ARG 60 -9.270 8.550 2.258 419 HD3 ARG 60 2HD ARG 60 -8.549 7.467 1.068 420 HE ARG 60 HE ARG 60 -7.850 6.666 3.690 421 HH11 ARG 60 1HH1 ARG 60 -10.513 6.692 1.448 422 HH12 ARG 60 2HH1 ARG 60 -11.268 5.289 2.127 423 HH21 ARG 60 1HH2 ARG 60 -8.834 4.817 4.593 424 HH22 ARG 60 2HH2 ARG 60 -10.313 4.223 3.916 425 H SER 61 H SER 61 -4.467 9.229 5.246 426 HA SER 61 HA SER 61 -2.329 8.703 3.285 427 HB2 SER 61 1HB SER 61 -1.970 9.036 6.270 428 HB3 SER 61 2HB SER 61 -0.704 8.925 5.048 429 HG SER 61 HG SER 61 -2.641 10.966 4.931 430 H HIS 62 H HIS 62 -4.556 6.980 3.732 431 HA HIS 62 HA HIS 62 -3.165 4.533 4.193 432 HB2 HIS 62 1HB HIS 62 -4.220 3.760 6.162 433 HB3 HIS 62 2HB HIS 62 -3.691 5.397 6.539 434 HD1 HIS 62 1HD HIS 62 -5.605 7.258 6.522 435 HD2 HIS 62 2HD HIS 62 -6.909 3.314 6.434 436 HE1 HIS 62 1HE HIS 62 -8.037 7.340 7.157 437 HE2 HIS 62 2HE HIS 62 -8.782 4.934 7.181 438 H VAL 63 H VAL 63 -4.675 2.630 4.017 439 HA VAL 63 HA VAL 63 -7.314 2.977 3.037 440 HB VAL 63 HB VAL 63 -5.831 3.800 1.098 441 HG11 VAL 63 1HG1 VAL 63 -4.992 2.016 -0.374 442 HG12 VAL 63 2HG1 VAL 63 -4.161 2.041 1.183 443 HG13 VAL 63 3HG1 VAL 63 -5.397 0.824 0.861 444 HG21 VAL 63 3HG2 VAL 63 -8.247 2.285 1.183 445 HG22 VAL 63 1HG2 VAL 63 -7.770 3.547 0.048 446 HG23 VAL 63 2HG2 VAL 63 -7.359 1.864 -0.281 447 H THR 64 H THR 64 -8.356 0.989 2.562 448 HA THR 64 HA THR 64 -6.914 -1.335 3.631 449 HB THR 64 HB THR 64 -9.892 -1.179 3.209 450 HG1 THR 64 1HG THR 64 -8.634 -0.609 5.681 451 HG21 THR 64 3HG2 THR 64 -10.026 -3.023 4.600 452 HG22 THR 64 1HG2 THR 64 -8.475 -2.688 5.368 453 HG23 THR 64 2HG2 THR 64 -8.526 -3.343 3.731 454 H LEU 65 H LEU 65 -6.592 -3.142 2.452 455 HA LEU 65 HA LEU 65 -7.476 -3.078 -0.347 456 HB2 LEU 65 1HB LEU 65 -5.318 -4.768 0.902 457 HB3 LEU 65 2HB LEU 65 -5.665 -4.598 -0.817 458 HG LEU 65 HG LEU 65 -4.840 -2.224 0.815 459 HD11 LEU 65 1HD1 LEU 65 -2.525 -2.913 -0.332 460 HD12 LEU 65 2HD1 LEU 65 -3.178 -4.521 -0.017 461 HD13 LEU 65 3HD1 LEU 65 -2.963 -3.381 1.312 462 HD21 LEU 65 3HD2 LEU 65 -5.125 -2.939 -2.039 463 HD22 LEU 65 1HD2 LEU 65 -3.749 -1.921 -1.612 464 HD23 LEU 65 2HD2 LEU 65 -5.388 -1.398 -1.219 465 HA PRO 66 HA PRO 66 -10.264 -6.298 1.258 466 HB2 PRO 66 1HB PRO 66 -12.087 -5.995 -0.731 467 HB3 PRO 66 2HB PRO 66 -12.040 -4.953 0.696 468 HG2 PRO 66 1HG PRO 66 -10.961 -4.452 -2.051 469 HG3 PRO 66 2HG PRO 66 -11.850 -3.353 -0.980 470 HD2 PRO 66 1HD PRO 66 -9.158 -3.257 -1.257 471 HD3 PRO 66 2HD PRO 66 -9.977 -2.848 0.264 472 H ASP 67 H ASP 67 -11.427 -8.097 -0.098 473 HA ASP 67 HA ASP 67 -11.136 -10.029 -1.268 474 HB2 ASP 67 1HB ASP 67 -9.796 -8.259 -3.320 475 HB3 ASP 67 2HB ASP 67 -10.599 -9.801 -3.604 476 H LEU 68 H LEU 68 -9.348 -10.009 0.641 477 HA LEU 68 HA LEU 68 -6.782 -10.704 -0.631 478 HB2 LEU 68 1HB LEU 68 -7.448 -9.478 2.010 479 HB3 LEU 68 2HB LEU 68 -5.970 -10.421 1.834 480 HG LEU 68 HG LEU 68 -6.678 -7.957 0.243 481 HD11 LEU 68 1HD1 LEU 68 -6.204 -7.432 2.570 482 HD12 LEU 68 2HD1 LEU 68 -4.890 -6.889 1.526 483 HD13 LEU 68 3HD1 LEU 68 -4.704 -8.356 2.487 484 HD21 LEU 68 3HD2 LEU 68 -3.908 -8.727 0.232 485 HD22 LEU 68 1HD2 LEU 68 -5.002 -8.456 -1.125 486 HD23 LEU 68 2HD2 LEU 68 -4.917 -10.045 -0.366 487 H GLN 69 H GLN 69 -5.556 -12.438 0.479 488 HA GLN 69 HA GLN 69 -7.387 -14.585 1.268 489 HB2 GLN 69 1HB GLN 69 -4.520 -14.683 0.319 490 HB3 GLN 69 2HB GLN 69 -5.476 -16.090 0.765 491 HG2 GLN 69 1HG GLN 69 -7.126 -15.299 -1.023 492 HG3 GLN 69 2HG GLN 69 -5.813 -14.263 -1.581 493 HE21 GLN 69 1HE2 GLN 69 -5.883 -15.441 -3.558 494 HE22 GLN 69 2HE2 GLN 69 -5.118 -16.985 -3.685 495 H ALA 70 H ALA 70 -5.936 -16.290 2.671 496 HA ALA 70 HA ALA 70 -5.075 -14.752 5.034 497 HB1 ALA 70 3HB ALA 70 -6.534 -15.917 6.228 498 HB2 ALA 70 1HB ALA 70 -7.053 -16.765 4.771 499 HB3 ALA 70 2HB ALA 70 -5.741 -17.418 5.752 500 H ALA 71 H ALA 71 -3.264 -15.433 6.181 501 HA ALA 71 HA ALA 71 -1.165 -16.269 6.455 502 HB1 ALA 71 3HB ALA 71 -2.258 -18.680 5.011 503 HB2 ALA 71 1HB ALA 71 -0.821 -18.626 6.033 504 HB3 ALA 71 2HB ALA 71 -2.417 -18.372 6.740 505 H THR 72 H THR 72 -1.249 -14.498 4.460 506 HA THR 72 HA THR 72 0.851 -15.421 2.709 507 HB THR 72 HB THR 72 -1.802 -14.546 1.552 508 HG1 THR 72 1HG THR 72 -1.448 -16.648 0.443 509 HG21 THR 72 3HG2 THR 72 -0.308 -13.501 0.129 510 HG22 THR 72 1HG2 THR 72 -0.472 -15.082 -0.633 511 HG23 THR 72 2HG2 THR 72 0.938 -14.726 0.365 512 H LYS 73 H LYS 73 2.243 -13.814 2.312 513 HA LYS 73 HA LYS 73 1.687 -11.189 3.357 514 HB2 LYS 73 1HB LYS 73 4.086 -12.530 2.156 515 HB3 LYS 73 2HB LYS 73 4.065 -10.783 2.356 516 HG2 LYS 73 1HG LYS 73 5.159 -11.733 4.245 517 HG3 LYS 73 2HG LYS 73 3.586 -11.132 4.774 518 HD2 LYS 73 1HD LYS 73 3.861 -13.258 5.782 519 HD3 LYS 73 2HD LYS 73 2.719 -13.485 4.455 520 HE2 LYS 73 1HE LYS 73 4.268 -14.606 3.146 521 HE3 LYS 73 2HE LYS 73 5.644 -13.918 4.007 522 HZ1 LYS 73 3HZ LYS 73 4.106 -16.287 4.590 523 HZ2 LYS 73 1HZ LYS 73 4.394 -15.309 5.941 524 HZ3 LYS 73 2HZ LYS 73 5.692 -15.891 5.025 525 H TYR 74 H TYR 74 1.873 -9.220 2.161 526 HA TYR 74 HA TYR 74 1.507 -9.475 -0.741 527 HB2 TYR 74 1HB TYR 74 -0.250 -7.907 1.153 528 HB3 TYR 74 2HB TYR 74 -0.267 -7.697 -0.595 529 HD1 TYR 74 2HD TYR 74 -0.597 -10.395 1.969 530 HD2 TYR 74 1HD TYR 74 -1.793 -8.912 -1.835 531 HE1 TYR 74 2HE TYR 74 -2.220 -12.232 1.770 532 HE2 TYR 74 1HE TYR 74 -3.421 -10.744 -2.044 533 HH TYR 74 HH TYR 74 -4.335 -12.516 -1.071 534 H ARG 75 H ARG 75 3.447 -8.608 -1.300 535 HA ARG 75 HA ARG 75 4.813 -6.540 -0.068 536 HB2 ARG 75 1HB ARG 75 5.354 -8.138 -2.154 537 HB3 ARG 75 2HB ARG 75 4.950 -6.668 -3.031 538 HG2 ARG 75 1HG ARG 75 6.618 -5.535 -1.404 539 HG3 ARG 75 2HG ARG 75 7.199 -7.179 -1.135 540 HD2 ARG 75 1HD ARG 75 6.850 -6.151 -3.920 541 HD3 ARG 75 2HD ARG 75 8.279 -5.702 -2.990 542 HE ARG 75 HE ARG 75 7.709 -8.537 -3.095 543 HH11 ARG 75 1HH1 ARG 75 9.418 -5.851 -4.504 544 HH12 ARG 75 2HH1 ARG 75 10.615 -6.845 -5.267 545 HH21 ARG 75 1HH2 ARG 75 9.279 -9.856 -4.095 546 HH22 ARG 75 2HH2 ARG 75 10.534 -9.122 -5.035 547 H VAL 76 H VAL 76 3.587 -4.798 0.536 548 HA VAL 76 HA VAL 76 1.870 -3.439 -1.338 549 HB VAL 76 HB VAL 76 2.721 -2.740 1.472 550 HG11 VAL 76 1HG1 VAL 76 0.582 -1.380 -0.155 551 HG12 VAL 76 2HG1 VAL 76 1.172 -0.932 1.447 552 HG13 VAL 76 3HG1 VAL 76 2.216 -0.744 0.037 553 HG21 VAL 76 3HG2 VAL 76 0.099 -3.739 0.361 554 HG22 VAL 76 1HG2 VAL 76 1.262 -4.693 1.282 555 HG23 VAL 76 2HG2 VAL 76 0.425 -3.343 2.049 556 H LEU 77 H LEU 77 2.564 -2.041 -2.804 557 HA LEU 77 HA LEU 77 5.032 -0.528 -2.253 558 HB2 LEU 77 1HB LEU 77 4.006 -1.868 -4.688 559 HB3 LEU 77 2HB LEU 77 4.854 -0.339 -4.909 560 HG LEU 77 HG LEU 77 6.652 -1.579 -3.379 561 HD11 LEU 77 1HD1 LEU 77 5.000 -3.741 -4.616 562 HD12 LEU 77 2HD1 LEU 77 5.687 -3.644 -2.995 563 HD13 LEU 77 3HD1 LEU 77 6.733 -3.966 -4.378 564 HD21 LEU 77 3HD2 LEU 77 6.753 -0.631 -5.777 565 HD22 LEU 77 1HD2 LEU 77 6.523 -2.305 -6.282 566 HD23 LEU 77 2HD2 LEU 77 7.923 -1.864 -5.304 567 H VAL 78 H VAL 78 4.468 1.457 -1.628 568 HA VAL 78 HA VAL 78 2.249 2.799 -3.020 569 HB VAL 78 HB VAL 78 3.514 3.539 -0.378 570 HG11 VAL 78 1HG1 VAL 78 0.903 4.518 -1.500 571 HG12 VAL 78 2HG1 VAL 78 1.827 5.163 -0.143 572 HG13 VAL 78 3HG1 VAL 78 2.428 5.355 -1.790 573 HG21 VAL 78 3HG2 VAL 78 0.739 2.631 -0.373 574 HG22 VAL 78 1HG2 VAL 78 1.889 1.384 -0.856 575 HG23 VAL 78 2HG2 VAL 78 2.074 2.202 0.696 576 H SER 79 H SER 79 2.505 4.871 -3.849 577 HA SER 79 HA SER 79 5.161 6.080 -3.775 578 HB2 SER 79 1HB SER 79 3.825 5.793 -6.448 579 HB3 SER 79 2HB SER 79 5.525 6.084 -6.079 580 HG SER 79 HG SER 79 5.710 3.950 -5.409 581 H ALA 80 H ALA 80 4.920 8.152 -3.303 582 HA ALA 80 HA ALA 80 2.378 9.449 -3.418 583 HB1 ALA 80 3HB ALA 80 4.720 11.170 -3.060 584 HB2 ALA 80 1HB ALA 80 3.296 10.960 -2.041 585 HB3 ALA 80 2HB ALA 80 4.633 9.814 -1.936 586 H ILE 81 H ILE 81 1.497 10.418 -5.113 587 HA ILE 81 HA ILE 81 3.107 10.986 -7.462 588 HB ILE 81 HB ILE 81 0.146 11.450 -7.145 589 HG12 ILE 81 1HG1 ILE 81 0.726 9.108 -6.573 590 HG13 ILE 81 2HG1 ILE 81 -0.217 9.224 -8.055 591 HG21 ILE 81 1HG2 ILE 81 0.338 10.909 -9.673 592 HG22 ILE 81 2HG2 ILE 81 0.811 12.505 -9.094 593 HG23 ILE 81 3HG2 ILE 81 2.044 11.296 -9.450 594 HD11 ILE 81 3HD1 ILE 81 1.997 9.116 -9.287 595 HD12 ILE 81 1HD1 ILE 81 2.704 8.630 -7.746 596 HD13 ILE 81 2HD1 ILE 81 1.448 7.641 -8.491 597 H TYR 82 H TYR 82 3.424 12.992 -8.367 598 HA TYR 82 HA TYR 82 2.408 15.324 -6.903 599 HB2 TYR 82 1HB TYR 82 5.286 15.015 -7.778 600 HB3 TYR 82 2HB TYR 82 4.589 16.388 -6.926 601 HD1 TYR 82 1HD TYR 82 3.992 16.205 -4.552 602 HD2 TYR 82 2HD TYR 82 5.862 12.987 -6.615 603 HE1 TYR 82 1HE TYR 82 4.552 15.158 -2.398 604 HE2 TYR 82 2HE TYR 82 6.425 11.930 -4.467 605 HH TYR 82 HH TYR 82 6.416 12.142 -2.252 606 H ALA 83 H ALA 83 2.555 17.336 -8.134 607 HA ALA 83 HA ALA 83 1.411 17.284 -10.592 608 HB1 ALA 83 3HB ALA 83 1.425 19.465 -10.189 609 HB2 ALA 83 1HB ALA 83 2.686 19.261 -8.972 610 HB3 ALA 83 2HB ALA 83 3.123 19.521 -10.661 611 H ALA 84 H ALA 84 4.910 17.468 -9.973 612 HA ALA 84 HA ALA 84 5.599 17.350 -12.747 613 HB1 ALA 84 3HB ALA 84 7.165 18.443 -11.392 614 HB2 ALA 84 1HB ALA 84 7.183 17.138 -10.206 615 HB3 ALA 84 2HB ALA 84 7.924 16.901 -11.789 616 H GLY 85 H GLY 85 5.934 15.025 -10.056 617 HA2 GLY 85 1HA GLY 85 5.278 12.820 -11.779 618 HA3 GLY 85 2HA GLY 85 6.986 12.872 -11.367 619 H ARG 86 H ARG 86 6.470 10.748 -10.408 620 HA ARG 86 HA ARG 86 5.349 11.058 -7.700 621 HB2 ARG 86 1HB ARG 86 4.770 8.641 -7.820 622 HB3 ARG 86 2HB ARG 86 3.907 9.626 -8.994 623 HG2 ARG 86 1HG ARG 86 5.051 8.743 -10.783 624 HG3 ARG 86 2HG ARG 86 6.438 8.272 -9.797 625 HD2 ARG 86 1HD ARG 86 4.642 6.708 -8.655 626 HD3 ARG 86 2HD ARG 86 3.837 6.890 -10.213 627 HE ARG 86 HE ARG 86 6.626 6.132 -10.341 628 HH11 ARG 86 1HH1 ARG 86 3.314 5.064 -10.257 629 HH12 ARG 86 2HH1 ARG 86 3.656 3.523 -10.971 630 HH21 ARG 86 1HH2 ARG 86 7.089 4.106 -11.281 631 HH22 ARG 86 2HH2 ARG 86 5.804 2.978 -11.552 632 H SER 87 H SER 87 6.541 10.365 -6.000 633 HA SER 87 HA SER 87 9.321 10.020 -6.317 634 HB2 SER 87 1HB SER 87 9.353 9.589 -3.901 635 HB3 SER 87 2HB SER 87 8.309 10.960 -4.275 636 HG SER 87 HG SER 87 7.535 8.306 -3.653 637 H GLU 88 H GLU 88 10.484 8.115 -5.217 638 HA GLU 88 HA GLU 88 10.204 5.839 -6.737 639 HB2 GLU 88 1HB GLU 88 11.686 4.742 -5.191 640 HB3 GLU 88 2HB GLU 88 12.185 6.420 -5.345 641 HG2 GLU 88 1HG GLU 88 11.004 6.929 -3.239 642 HG3 GLU 88 2HG GLU 88 10.621 5.216 -3.074 643 H ALA 89 H ALA 89 9.961 3.568 -5.479 644 HA ALA 89 HA ALA 89 7.304 3.636 -4.201 645 HB1 ALA 89 3HB ALA 89 8.342 1.383 -5.904 646 HB2 ALA 89 1HB ALA 89 6.698 1.635 -5.319 647 HB3 ALA 89 2HB ALA 89 7.374 2.711 -6.542 648 H VAL 90 H VAL 90 7.322 2.970 -2.166 649 HA VAL 90 HA VAL 90 9.558 1.353 -1.199 650 HB VAL 90 HB VAL 90 8.544 1.849 1.071 651 HG11 VAL 90 1HG1 VAL 90 9.363 4.203 1.073 652 HG12 VAL 90 2HG1 VAL 90 10.476 3.055 0.325 653 HG13 VAL 90 3HG1 VAL 90 9.487 4.111 -0.684 654 HG21 VAL 90 3HG2 VAL 90 7.139 4.205 0.151 655 HG22 VAL 90 1HG2 VAL 90 6.400 2.726 -0.462 656 HG23 VAL 90 2HG2 VAL 90 6.617 2.950 1.274 657 H SER 91 H SER 91 9.370 -0.734 -0.696 658 HA SER 91 HA SER 91 6.774 -2.013 -1.005 659 HB2 SER 91 1HB SER 91 7.934 -4.038 -1.281 660 HB3 SER 91 2HB SER 91 9.000 -2.848 -2.027 661 HG SER 91 HG SER 91 9.312 -4.295 0.332 662 H ALA 92 H ALA 92 6.112 -3.706 0.539 663 HA ALA 92 HA ALA 92 7.170 -3.680 3.200 664 HB1 ALA 92 3HB ALA 92 4.756 -2.930 4.032 665 HB2 ALA 92 1HB ALA 92 6.063 -1.778 3.758 666 HB3 ALA 92 2HB ALA 92 4.818 -2.008 2.530 667 H THR 93 H THR 93 6.848 -5.638 4.020 668 HA THR 93 HA THR 93 4.803 -7.349 2.807 669 HB THR 93 HB THR 93 6.037 -9.177 4.113 670 HG1 THR 93 1HG THR 93 7.225 -7.228 5.240 671 HG21 THR 93 3HG2 THR 93 7.148 -9.627 2.213 672 HG22 THR 93 1HG2 THR 93 8.042 -8.108 2.266 673 HG23 THR 93 2HG2 THR 93 6.408 -8.147 1.602 674 H GLY 94 H GLY 94 2.973 -7.788 3.845 675 HA2 GLY 94 1HA GLY 94 2.965 -7.686 6.790 676 HA3 GLY 94 2HA GLY 94 1.737 -6.824 5.875 677 H GLN 95 H GLN 95 2.770 -9.863 7.110 678 HA GLN 95 HA GLN 95 1.251 -11.652 5.627 679 HB2 GLN 95 1HB GLN 95 2.916 -12.346 7.289 680 HB3 GLN 95 2HB GLN 95 1.884 -11.750 8.582 681 HG2 GLN 95 1HG GLN 95 0.192 -13.402 8.011 682 HG3 GLN 95 2HG GLN 95 1.200 -13.988 6.689 683 HE21 GLN 95 1HE2 GLN 95 0.523 -15.887 8.286 684 HE22 GLN 95 2HE2 GLN 95 1.771 -16.325 9.397 685 H THR 96 H THR 96 -0.848 -12.232 5.572 686 HA THR 96 HA THR 96 -2.774 -10.480 6.782 687 HB THR 96 HB THR 96 -4.425 -12.156 5.721 688 HG1 THR 96 1HG THR 96 -3.132 -13.225 3.890 689 HG21 THR 96 3HG2 THR 96 -3.219 -11.299 3.357 690 HG22 THR 96 1HG2 THR 96 -2.747 -10.104 4.564 691 HG23 THR 96 2HG2 THR 96 -4.454 -10.448 4.283 692 H ALA 97 H ALA 97 -4.873 -11.789 7.595 693 HA ALA 97 HA ALA 97 -3.985 -13.097 10.030 694 HB1 ALA 97 3HB ALA 97 -6.804 -12.444 9.190 695 HB2 ALA 97 1HB ALA 97 -6.229 -12.827 10.813 696 HB3 ALA 97 2HB ALA 97 -5.737 -11.323 10.034 697 H CYS 98 H CYS 98 -3.908 -15.224 10.299 698 HA CYS 98 HA CYS 98 -4.447 -17.078 8.298 699 HB2 CYS 98 1HB CYS 98 -3.900 -17.231 11.218 700 HB3 CYS 98 2HB CYS 98 -4.568 -18.666 10.450 701 HG CYS 98 HG CYS 98 -1.992 -19.310 10.361 702 HA PRO 99 HA PRO 99 -8.737 -17.973 8.415 703 HB2 PRO 99 1HB PRO 99 -8.793 -20.674 8.157 704 HB3 PRO 99 2HB PRO 99 -8.353 -19.592 6.831 705 HG2 PRO 99 1HG PRO 99 -6.580 -21.154 8.669 706 HG3 PRO 99 2HG PRO 99 -6.449 -20.924 6.915 707 HD2 PRO 99 1HD PRO 99 -4.953 -19.523 8.685 708 HD3 PRO 99 2HD PRO 99 -5.485 -18.842 7.134 709 H SER 100 H SER 100 -6.789 -18.703 10.966 710 HA SER 100 HA SER 100 -7.829 -20.512 12.622 711 HB2 SER 100 1HB SER 100 -6.165 -18.494 13.058 712 HB3 SER 100 2HB SER 100 -7.595 -17.776 13.800 713 HG SER 100 HG SER 100 -6.387 -18.963 15.319 714 H GLY 101 H GLY 101 -9.243 -17.244 12.347 715 HA2 GLY 101 1HA GLY 101 -11.896 -18.009 12.182 716 HA3 GLY 101 2HA GLY 101 -11.539 -17.899 13.899 717 HA PRO 102 HA PRO 102 -12.265 -13.653 11.731 718 HB2 PRO 102 1HB PRO 102 -14.966 -13.425 11.873 719 HB3 PRO 102 2HB PRO 102 -14.131 -14.090 10.464 720 HG2 PRO 102 1HG PRO 102 -15.484 -15.526 12.716 721 HG3 PRO 102 2HG PRO 102 -15.539 -15.868 10.977 722 HD2 PRO 102 1HD PRO 102 -13.965 -17.258 12.686 723 HD3 PRO 102 2HD PRO 102 -13.506 -16.953 10.998 724 H SER 103 H SER 103 -12.810 -15.276 14.578 725 HA SER 103 HA SER 103 -13.894 -13.004 16.041 726 HB2 SER 103 1HB SER 103 -14.758 -15.174 16.664 727 HB3 SER 103 2HB SER 103 -13.129 -15.796 16.922 728 HG SER 103 HG SER 103 -14.228 -15.161 18.871 729 H SER 104 H SER 104 -12.205 -11.508 15.862 730 HA SER 104 HA SER 104 -9.590 -12.232 16.920 731 HB2 SER 104 1HB SER 104 -10.539 -9.576 15.822 732 HB3 SER 104 2HB SER 104 -8.870 -10.038 16.153 733 HG SER 104 HG SER 104 -8.909 -10.659 14.142 734 H GLY 105 H GLY 105 -10.290 -12.593 19.107 735 HA2 GLY 105 1HA GLY 105 -10.868 -11.966 21.260 736 HA3 GLY 105 2HA GLY 105 -9.684 -10.707 20.940
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