NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14125 | 1wfm | 10074 | 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 17.452 10.308 26.181 2 HA2 GLY 1 1HA GLY 1 17.996 9.207 23.609 3 HA3 GLY 1 2HA GLY 1 16.365 9.844 23.691 4 H SER 2 H SER 2 18.856 10.797 22.216 5 HA SER 2 HA SER 2 18.408 13.522 22.649 6 HB2 SER 2 1HB SER 2 20.859 12.288 23.895 7 HB3 SER 2 2HB SER 2 21.016 13.872 23.162 8 HG SER 2 HG SER 2 20.346 14.494 25.124 9 H SER 3 H SER 3 20.123 14.844 21.246 10 HA SER 3 HA SER 3 21.094 15.187 19.334 11 HB2 SER 3 1HB SER 3 22.304 12.838 20.212 12 HB3 SER 3 2HB SER 3 21.775 12.401 18.600 13 HG SER 3 HG SER 3 23.936 13.834 19.265 14 H GLY 4 H GLY 4 20.681 15.056 16.980 15 HA2 GLY 4 1HA GLY 4 18.591 13.202 16.129 16 HA3 GLY 4 2HA GLY 4 18.189 14.908 16.121 17 H SER 5 H SER 5 17.961 14.793 13.769 18 HA SER 5 HA SER 5 20.330 15.548 12.486 19 HB2 SER 5 1HB SER 5 19.715 12.716 12.446 20 HB3 SER 5 2HB SER 5 19.544 13.353 10.822 21 HG SER 5 HG SER 5 21.758 14.466 11.494 22 H SER 6 H SER 6 19.825 15.755 9.955 23 HA SER 6 HA SER 6 17.215 15.667 9.088 24 HB2 SER 6 1HB SER 6 17.702 17.902 10.819 25 HB3 SER 6 2HB SER 6 17.561 18.539 9.192 26 HG SER 6 HG SER 6 15.507 18.285 10.464 27 H GLY 7 H GLY 7 16.979 17.103 6.978 28 HA2 GLY 7 1HA GLY 7 19.463 18.001 5.814 29 HA3 GLY 7 2HA GLY 7 18.881 16.484 5.158 30 H SER 8 H SER 8 18.839 18.029 3.165 31 HA SER 8 HA SER 8 16.104 18.927 2.950 32 HB2 SER 8 1HB SER 8 18.272 20.751 3.253 33 HB3 SER 8 2HB SER 8 17.834 20.811 1.557 34 HG SER 8 HG SER 8 15.494 20.867 2.673 35 H TRP 9 H TRP 9 19.270 18.943 1.138 36 HA TRP 9 HA TRP 9 19.852 18.084 -0.818 37 HB2 TRP 9 1HB TRP 9 17.912 16.204 0.193 38 HB3 TRP 9 2HB TRP 9 17.805 16.298 -1.553 39 HD1 TRP 9 HD TRP 9 21.000 16.333 0.715 40 HE1 TRP 9 1HE TRP 9 22.704 14.477 -0.071 41 HE3 TRP 9 3HE TRP 9 18.055 14.449 -2.977 42 HZ2 TRP 9 2HZ TRP 9 22.630 12.475 -2.103 43 HZ3 TRP 9 3HZ TRP 9 18.946 12.543 -4.315 44 HH2 TRP 9 HH TRP 9 21.149 11.559 -3.927 45 H ASN 10 H ASN 10 19.310 18.255 -3.165 46 HA ASN 10 HA ASN 10 17.633 20.484 -3.571 47 HB2 ASN 10 1HB ASN 10 19.520 18.814 -5.170 48 HB3 ASN 10 2HB ASN 10 18.208 19.493 -6.112 49 HD21 ASN 10 1HD2 ASN 10 20.912 20.157 -6.407 50 HD22 ASN 10 2HD2 ASN 10 21.148 21.826 -6.008 51 H GLN 11 H GLN 11 17.715 17.156 -5.081 52 HA GLN 11 HA GLN 11 15.031 17.424 -5.943 53 HB2 GLN 11 1HB GLN 11 17.132 15.255 -6.063 54 HB3 GLN 11 2HB GLN 11 15.470 14.854 -6.447 55 HG2 GLN 11 1HG GLN 11 15.813 15.667 -8.534 56 HG3 GLN 11 2HG GLN 11 15.955 17.270 -7.842 57 HE21 GLN 11 1HE2 GLN 11 17.876 18.267 -7.719 58 HE22 GLN 11 2HE2 GLN 11 19.380 17.623 -8.287 59 H ALA 12 H ALA 12 13.412 15.529 -5.441 60 HA ALA 12 HA ALA 12 13.690 14.615 -2.685 61 HB1 ALA 12 1HB ALA 12 12.220 16.894 -3.312 62 HB2 ALA 12 2HB ALA 12 10.992 15.606 -3.293 63 HB3 ALA 12 3HB ALA 12 12.013 15.883 -1.862 64 HA PRO 13 HA PRO 13 11.898 11.089 -4.435 65 HB2 PRO 13 1HB PRO 13 10.927 9.813 -2.222 66 HB3 PRO 13 2HB PRO 13 12.615 9.766 -2.692 67 HG2 PRO 13 1HG PRO 13 11.341 11.298 -0.508 68 HG3 PRO 13 2HG PRO 13 13.034 10.904 -0.729 69 HD2 PRO 13 1HD PRO 13 11.783 13.436 -1.228 70 HD3 PRO 13 2HD PRO 13 13.449 13.008 -1.558 71 H LYS 14 H LYS 14 10.193 10.763 -5.712 72 HA LYS 14 HA LYS 14 7.683 11.827 -4.618 73 HB2 LYS 14 1HB LYS 14 9.036 12.210 -7.166 74 HB3 LYS 14 2HB LYS 14 7.418 11.579 -7.396 75 HG2 LYS 14 1HG LYS 14 6.918 13.458 -5.460 76 HG3 LYS 14 2HG LYS 14 8.289 14.205 -6.255 77 HD2 LYS 14 1HD LYS 14 5.730 13.265 -7.635 78 HD3 LYS 14 2HD LYS 14 6.148 14.931 -7.287 79 HE2 LYS 14 1HE LYS 14 8.399 14.167 -8.652 80 HE3 LYS 14 2HE LYS 14 7.226 13.103 -9.401 81 HZ1 LYS 14 1HZ LYS 14 6.657 14.845 -10.601 82 HZ2 LYS 14 2HZ LYS 14 5.992 15.519 -9.271 83 HZ3 LYS 14 3HZ LYS 14 7.525 15.889 -9.695 84 H LEU 15 H LEU 15 5.767 10.580 -4.846 85 HA LEU 15 HA LEU 15 6.142 7.881 -5.888 86 HB2 LEU 15 1HB LEU 15 6.598 7.392 -3.689 87 HB3 LEU 15 2HB LEU 15 5.529 8.632 -3.064 88 HG LEU 15 HG LEU 15 3.574 7.303 -3.574 89 HD11 LEU 15 1HD1 LEU 15 3.499 5.391 -4.830 90 HD12 LEU 15 2HD1 LEU 15 4.827 6.253 -5.646 91 HD13 LEU 15 3HD1 LEU 15 5.190 4.956 -4.482 92 HD21 LEU 15 1HD2 LEU 15 3.899 5.452 -2.034 93 HD22 LEU 15 2HD2 LEU 15 5.666 5.595 -2.197 94 HD23 LEU 15 3HD2 LEU 15 4.733 6.908 -1.439 95 H HIS 16 H HIS 16 4.518 7.402 -7.265 96 HA HIS 16 HA HIS 16 2.207 9.153 -7.212 97 HB2 HIS 16 1HB HIS 16 3.594 8.640 -9.296 98 HB3 HIS 16 2HB HIS 16 2.880 7.040 -9.266 99 HD1 HIS 16 1HD HIS 16 1.160 6.992 -11.075 100 HD2 HIS 16 2HD HIS 16 1.042 10.567 -8.883 101 HE1 HIS 16 1HE HIS 16 -0.813 8.327 -11.990 102 H TYR 17 H TYR 17 0.068 8.429 -6.923 103 HA TYR 17 HA TYR 17 -0.454 5.626 -6.603 104 HB2 TYR 17 1HB TYR 17 -1.298 6.169 -4.179 105 HB3 TYR 17 2HB TYR 17 0.440 6.057 -4.377 106 HD1 TYR 17 2HD TYR 17 1.854 8.060 -4.273 107 HD2 TYR 17 1HD TYR 17 -2.385 8.319 -3.757 108 HE1 TYR 17 2HE TYR 17 2.106 10.402 -3.315 109 HE2 TYR 17 1HE TYR 17 -2.119 10.659 -2.801 110 HH TYR 17 HH TYR 17 0.338 12.517 -3.246 111 H CYS 18 H CYS 18 -2.648 5.162 -6.849 112 HA CYS 18 HA CYS 18 -4.332 7.533 -7.206 113 HB2 CYS 18 1HB CYS 18 -3.986 6.440 -9.330 114 HB3 CYS 18 2HB CYS 18 -4.390 4.872 -8.660 115 HG CYS 18 HG CYS 18 -6.470 5.378 -9.941 116 H LEU 19 H LEU 19 -5.768 7.731 -5.523 117 HA LEU 19 HA LEU 19 -6.387 5.368 -3.962 118 HB2 LEU 19 1HB LEU 19 -7.290 8.200 -3.472 119 HB3 LEU 19 2HB LEU 19 -7.238 6.868 -2.334 120 HG LEU 19 HG LEU 19 -5.442 8.275 -1.761 121 HD11 LEU 19 1HD1 LEU 19 -3.426 6.915 -2.195 122 HD12 LEU 19 2HD1 LEU 19 -4.828 5.934 -1.707 123 HD13 LEU 19 3HD1 LEU 19 -4.334 5.990 -3.416 124 HD21 LEU 19 1HD2 LEU 19 -4.208 8.241 -4.494 125 HD22 LEU 19 2HD2 LEU 19 -5.524 9.383 -4.131 126 HD23 LEU 19 3HD2 LEU 19 -4.025 9.418 -3.170 127 H ASP 20 H ASP 20 -8.358 4.337 -3.911 128 HA ASP 20 HA ASP 20 -10.627 5.614 -5.049 129 HB2 ASP 20 1HB ASP 20 -9.138 3.419 -6.488 130 HB3 ASP 20 2HB ASP 20 -10.889 3.395 -6.553 131 H TYR 21 H TYR 21 -12.111 5.034 -3.453 132 HA TYR 21 HA TYR 21 -11.805 2.412 -2.194 133 HB2 TYR 21 1HB TYR 21 -11.940 4.661 -0.927 134 HB3 TYR 21 2HB TYR 21 -13.548 4.882 -1.588 135 HD1 TYR 21 1HD TYR 21 -11.512 2.736 0.663 136 HD2 TYR 21 2HD TYR 21 -15.449 3.848 -0.588 137 HE1 TYR 21 1HE TYR 21 -12.503 1.467 2.631 138 HE2 TYR 21 2HE TYR 21 -16.427 2.576 1.384 139 HH TYR 21 HH TYR 21 -15.016 0.314 2.946 140 H ASP 22 H ASP 22 -12.969 0.783 -3.090 141 HA ASP 22 HA ASP 22 -15.335 1.459 -4.560 142 HB2 ASP 22 1HB ASP 22 -13.442 -0.399 -5.006 143 HB3 ASP 22 2HB ASP 22 -14.476 -1.380 -3.985 144 H CYS 23 H CYS 23 -16.770 2.128 -2.793 145 HA CYS 23 HA CYS 23 -17.158 1.009 -0.405 146 HB2 CYS 23 1HB CYS 23 -19.332 1.946 -0.375 147 HB3 CYS 23 2HB CYS 23 -18.380 2.984 -1.418 148 HG CYS 23 HG CYS 23 -21.083 1.863 -1.983 149 H GLN 24 H GLN 24 -18.104 -0.273 -3.607 150 HA GLN 24 HA GLN 24 -19.861 -2.213 -2.752 151 HB2 GLN 24 1HB GLN 24 -17.960 -2.542 -5.102 152 HB3 GLN 24 2HB GLN 24 -19.578 -3.193 -4.932 153 HG2 GLN 24 1HG GLN 24 -19.806 -0.358 -4.584 154 HG3 GLN 24 2HG GLN 24 -18.761 -0.605 -5.969 155 HE21 GLN 24 1HE2 GLN 24 -19.488 -1.840 -7.743 156 HE22 GLN 24 2HE2 GLN 24 -21.173 -2.041 -8.090 157 H LYS 25 H LYS 25 -16.274 -2.340 -3.258 158 HA LYS 25 HA LYS 25 -16.246 -5.009 -2.101 159 HB2 LYS 25 1HB LYS 25 -13.766 -3.598 -2.994 160 HB3 LYS 25 2HB LYS 25 -14.188 -5.296 -3.090 161 HG2 LYS 25 1HG LYS 25 -16.033 -4.559 -4.782 162 HG3 LYS 25 2HG LYS 25 -15.192 -3.023 -4.848 163 HD2 LYS 25 1HD LYS 25 -13.557 -3.872 -6.182 164 HD3 LYS 25 2HD LYS 25 -13.290 -5.231 -5.108 165 HE2 LYS 25 1HE LYS 25 -15.639 -6.049 -6.177 166 HE3 LYS 25 2HE LYS 25 -15.111 -5.027 -7.498 167 HZ1 LYS 25 1HZ LYS 25 -13.243 -6.939 -6.340 168 HZ2 LYS 25 2HZ LYS 25 -14.367 -7.458 -7.405 169 HZ3 LYS 25 3HZ LYS 25 -13.280 -6.324 -7.853 170 H ALA 26 H ALA 26 -16.323 -1.841 -1.017 171 HA ALA 26 HA ALA 26 -15.571 -0.771 0.790 172 HB1 ALA 26 1HB ALA 26 -16.688 -3.373 1.535 173 HB2 ALA 26 2HB ALA 26 -15.565 -2.749 2.767 174 HB3 ALA 26 3HB ALA 26 -16.961 -1.770 2.258 175 H GLU 27 H GLU 27 -13.439 -1.556 -0.899 176 HA GLU 27 HA GLU 27 -11.410 -1.970 1.140 177 HB2 GLU 27 1HB GLU 27 -11.802 -3.522 -1.415 178 HB3 GLU 27 2HB GLU 27 -10.163 -3.220 -0.872 179 HG2 GLU 27 1HG GLU 27 -11.961 -4.127 1.304 180 HG3 GLU 27 2HG GLU 27 -11.807 -5.296 0.008 181 H LEU 28 H LEU 28 -9.728 -0.504 1.019 182 HA LEU 28 HA LEU 28 -9.966 1.566 -0.941 183 HB2 LEU 28 1HB LEU 28 -9.423 1.924 1.458 184 HB3 LEU 28 2HB LEU 28 -7.879 1.136 1.200 185 HG LEU 28 HG LEU 28 -7.796 3.632 1.233 186 HD11 LEU 28 1HD1 LEU 28 -6.786 3.318 -1.424 187 HD12 LEU 28 2HD1 LEU 28 -5.900 3.359 0.119 188 HD13 LEU 28 3HD1 LEU 28 -6.504 1.811 -0.519 189 HD21 LEU 28 1HD2 LEU 28 -8.556 4.882 -0.736 190 HD22 LEU 28 2HD2 LEU 28 -9.294 3.401 -1.392 191 HD23 LEU 28 3HD2 LEU 28 -9.910 4.108 0.121 192 H PHE 29 H PHE 29 -8.475 2.113 -2.590 193 HA PHE 29 HA PHE 29 -6.539 -0.010 -3.186 194 HB2 PHE 29 1HB PHE 29 -8.541 1.537 -4.922 195 HB3 PHE 29 2HB PHE 29 -7.175 0.712 -5.645 196 HD1 PHE 29 2HD PHE 29 -7.035 -1.753 -5.571 197 HD2 PHE 29 1HD PHE 29 -10.441 0.315 -4.113 198 HE1 PHE 29 2HE PHE 29 -8.358 -3.885 -5.638 199 HE2 PHE 29 1HE PHE 29 -11.764 -1.817 -4.180 200 HZ PHE 29 HZ PHE 29 -10.706 -3.892 -4.942 201 H VAL 30 H VAL 30 -4.536 0.655 -4.047 202 HA VAL 30 HA VAL 30 -4.206 3.542 -4.402 203 HB VAL 30 HB VAL 30 -2.503 1.718 -2.694 204 HG11 VAL 30 1HG1 VAL 30 -1.625 3.867 -4.248 205 HG12 VAL 30 2HG1 VAL 30 -1.820 4.550 -2.615 206 HG13 VAL 30 3HG1 VAL 30 -0.777 3.130 -2.868 207 HG21 VAL 30 1HG2 VAL 30 -3.515 4.250 -1.577 208 HG22 VAL 30 2HG2 VAL 30 -4.785 3.073 -1.991 209 HG23 VAL 30 3HG2 VAL 30 -3.477 2.615 -0.873 210 H THR 31 H THR 31 -4.493 2.651 -6.684 211 HA THR 31 HA THR 31 -2.241 1.106 -7.655 212 HB THR 31 HB THR 31 -3.567 1.257 -9.799 213 HG1 THR 31 1HG THR 31 -5.724 2.371 -9.372 214 HG21 THR 31 1HG2 THR 31 -5.871 0.454 -8.674 215 HG22 THR 31 2HG2 THR 31 -4.431 -0.591 -8.627 216 HG23 THR 31 3HG2 THR 31 -4.866 0.390 -7.207 217 H ARG 32 H ARG 32 -1.941 2.256 -10.225 218 HA ARG 32 HA ARG 32 -0.616 3.646 -11.220 219 HB2 ARG 32 1HB ARG 32 -2.022 5.674 -9.412 220 HB3 ARG 32 2HB ARG 32 -0.997 6.136 -10.756 221 HG2 ARG 32 1HG ARG 32 -3.373 4.259 -11.107 222 HG3 ARG 32 2HG ARG 32 -3.541 6.000 -11.216 223 HD2 ARG 32 1HD ARG 32 -1.372 5.587 -12.881 224 HD3 ARG 32 2HD ARG 32 -2.264 4.099 -13.128 225 HE ARG 32 HE ARG 32 -4.059 6.361 -13.230 226 HH11 ARG 32 2HH2 ARG 32 -1.598 4.689 -15.110 227 HH12 ARG 32 1HH2 ARG 32 -2.233 5.206 -16.637 228 HH21 ARG 32 2HH1 ARG 32 -4.896 7.042 -15.245 229 HH22 ARG 32 1HH1 ARG 32 -4.121 6.553 -16.714 230 H LEU 33 H LEU 33 1.044 2.382 -9.724 231 HA LEU 33 HA LEU 33 2.284 4.136 -7.769 232 HB2 LEU 33 1HB LEU 33 2.415 1.234 -8.448 233 HB3 LEU 33 2HB LEU 33 3.800 1.969 -7.667 234 HG LEU 33 HG LEU 33 2.595 1.124 -5.884 235 HD11 LEU 33 1HD1 LEU 33 1.271 3.817 -5.895 236 HD12 LEU 33 2HD1 LEU 33 2.066 2.940 -4.565 237 HD13 LEU 33 3HD1 LEU 33 3.046 3.696 -5.844 238 HD21 LEU 33 1HD2 LEU 33 -0.071 2.227 -6.629 239 HD22 LEU 33 2HD2 LEU 33 0.527 0.814 -7.531 240 HD23 LEU 33 3HD2 LEU 33 0.357 0.734 -5.761 241 H GLU 34 H GLU 34 3.887 5.507 -8.310 242 HA GLU 34 HA GLU 34 5.769 4.654 -10.301 243 HB2 GLU 34 1HB GLU 34 4.297 7.300 -10.652 244 HB3 GLU 34 2HB GLU 34 5.533 6.645 -11.708 245 HG2 GLU 34 1HG GLU 34 4.057 4.700 -12.240 246 HG3 GLU 34 2HG GLU 34 2.823 5.337 -11.170 247 H ALA 35 H ALA 35 7.363 4.669 -8.668 248 HA ALA 35 HA ALA 35 7.635 6.953 -6.959 249 HB1 ALA 35 1HB ALA 35 9.773 5.650 -6.325 250 HB2 ALA 35 2HB ALA 35 8.210 4.862 -6.004 251 HB3 ALA 35 3HB ALA 35 9.174 4.382 -7.421 252 H VAL 36 H VAL 36 9.065 8.666 -7.147 253 HA VAL 36 HA VAL 36 10.742 8.638 -9.561 254 HB VAL 36 HB VAL 36 8.850 10.680 -8.471 255 HG11 VAL 36 1HG1 VAL 36 10.649 12.121 -8.434 256 HG12 VAL 36 2HG1 VAL 36 11.520 11.247 -9.717 257 HG13 VAL 36 3HG1 VAL 36 10.134 12.285 -10.130 258 HG21 VAL 36 1HG2 VAL 36 9.556 9.603 -11.212 259 HG22 VAL 36 2HG2 VAL 36 8.026 9.437 -10.319 260 HG23 VAL 36 3HG2 VAL 36 8.509 11.022 -10.969 261 H THR 37 H THR 37 12.558 7.862 -8.362 262 HA THR 37 HA THR 37 13.655 9.906 -6.551 263 HB THR 37 HB THR 37 14.422 8.119 -5.073 264 HG1 THR 37 1HG THR 37 14.847 6.305 -6.284 265 HG21 THR 37 1HG2 THR 37 12.282 6.831 -4.579 266 HG22 THR 37 2HG2 THR 37 12.048 8.595 -4.639 267 HG23 THR 37 3HG2 THR 37 11.558 7.584 -6.020 268 H SER 38 H SER 38 15.337 10.842 -7.518 269 HA SER 38 HA SER 38 16.806 9.243 -9.426 270 HB2 SER 38 1HB SER 38 17.333 12.169 -8.853 271 HB3 SER 38 2HB SER 38 17.596 11.283 -10.342 272 HG SER 38 HG SER 38 14.921 11.432 -9.371 273 H ASN 39 H ASN 39 18.404 8.014 -8.468 274 HA ASN 39 HA ASN 39 20.531 9.335 -7.229 275 HB2 ASN 39 1HB ASN 39 20.378 8.143 -4.993 276 HB3 ASN 39 2HB ASN 39 19.127 9.350 -5.220 277 HD21 ASN 39 1HD2 ASN 39 17.007 8.734 -5.667 278 HD22 ASN 39 2HD2 ASN 39 16.402 7.146 -5.332 279 H HIS 40 H HIS 40 22.270 7.650 -6.604 280 HA HIS 40 HA HIS 40 21.700 4.974 -7.549 281 HB2 HIS 40 1HB HIS 40 22.838 6.836 -9.279 282 HB3 HIS 40 2HB HIS 40 24.220 5.953 -8.662 283 HD1 HIS 40 1HD HIS 40 23.689 3.127 -8.707 284 HD2 HIS 40 2HD HIS 40 21.804 5.636 -11.491 285 HE1 HIS 40 1HE HIS 40 22.954 1.629 -10.637 286 H ASP 41 H ASP 41 22.872 3.419 -6.435 287 HA ASP 41 HA ASP 41 25.322 3.734 -5.341 288 HB2 ASP 41 1HB ASP 41 24.668 3.958 -2.856 289 HB3 ASP 41 2HB ASP 41 24.638 5.425 -3.812 290 H GLY 42 H GLY 42 25.193 1.492 -6.105 291 HA2 GLY 42 1HA GLY 42 25.157 -0.719 -5.526 292 HA3 GLY 42 2HA GLY 42 24.197 -0.352 -4.107 293 H GLY 43 H GLY 43 22.567 -1.908 -4.403 294 HA2 GLY 43 1HA GLY 43 20.558 -1.223 -6.369 295 HA3 GLY 43 2HA GLY 43 21.338 -2.769 -6.639 296 H CYS 44 H CYS 44 18.507 -2.099 -5.821 297 HA CYS 44 HA CYS 44 18.269 -4.128 -3.869 298 HB2 CYS 44 1HB CYS 44 17.148 -2.754 -2.116 299 HB3 CYS 44 2HB CYS 44 18.866 -2.446 -2.262 300 HG CYS 44 HG CYS 44 18.442 -0.097 -2.214 301 H ASP 45 H ASP 45 15.938 -4.679 -3.573 302 HA ASP 45 HA ASP 45 14.474 -3.859 -5.905 303 HB2 ASP 45 1HB ASP 45 14.352 -6.086 -3.905 304 HB3 ASP 45 2HB ASP 45 12.812 -5.599 -4.585 305 H CYS 46 H CYS 46 13.609 -1.766 -5.448 306 HA CYS 46 HA CYS 46 12.475 -1.232 -2.878 307 HB2 CYS 46 1HB CYS 46 11.886 0.976 -3.914 308 HB3 CYS 46 2HB CYS 46 13.594 0.587 -3.947 309 HG CYS 46 HG CYS 46 13.903 0.809 -6.278 310 H TYR 47 H TYR 47 10.173 -0.740 -2.528 311 HA TYR 47 HA TYR 47 8.331 -1.392 -4.651 312 HB2 TYR 47 1HB TYR 47 7.295 -3.193 -3.173 313 HB3 TYR 47 2HB TYR 47 8.919 -3.616 -3.676 314 HD1 TYR 47 1HD TYR 47 10.792 -3.563 -2.069 315 HD2 TYR 47 2HD TYR 47 6.787 -2.686 -0.848 316 HE1 TYR 47 1HE TYR 47 11.460 -3.868 0.366 317 HE2 TYR 47 2HE TYR 47 7.468 -2.994 1.582 318 HH TYR 47 HH TYR 47 9.167 -4.161 2.839 319 H VAL 48 H VAL 48 6.057 -0.940 -4.015 320 HA VAL 48 HA VAL 48 6.030 1.238 -2.090 321 HB VAL 48 HB VAL 48 3.799 0.317 -3.896 322 HG11 VAL 48 1HG1 VAL 48 2.714 2.006 -2.922 323 HG12 VAL 48 2HG1 VAL 48 4.170 2.479 -2.014 324 HG13 VAL 48 3HG1 VAL 48 3.892 3.126 -3.649 325 HG21 VAL 48 1HG2 VAL 48 5.934 0.662 -5.186 326 HG22 VAL 48 2HG2 VAL 48 4.600 1.747 -5.646 327 HG23 VAL 48 3HG2 VAL 48 5.927 2.352 -4.626 328 H GLN 49 H GLN 49 4.541 1.335 -0.319 329 HA GLN 49 HA GLN 49 3.147 -1.134 0.245 330 HB2 GLN 49 1HB GLN 49 5.476 -1.182 1.319 331 HB3 GLN 49 2HB GLN 49 4.959 0.156 2.325 332 HG2 GLN 49 1HG GLN 49 2.898 -1.374 2.914 333 HG3 GLN 49 2HG GLN 49 3.871 -2.679 2.266 334 HE21 GLN 49 1HE2 GLN 49 2.980 -1.261 5.012 335 HE22 GLN 49 2HE2 GLN 49 4.353 -1.534 6.033 336 H GLY 50 H GLY 50 1.080 -0.644 0.846 337 HA2 GLY 50 1HA GLY 50 0.574 2.092 1.832 338 HA3 GLY 50 2HA GLY 50 -0.561 1.083 0.959 339 H SER 51 H SER 51 0.002 2.330 3.944 340 HA SER 51 HA SER 51 -0.987 -0.071 5.272 341 HB2 SER 51 1HB SER 51 -0.186 1.270 7.390 342 HB3 SER 51 2HB SER 51 0.992 0.418 6.412 343 HG SER 51 HG SER 51 0.362 3.157 5.816 344 H VAL 52 H VAL 52 -2.998 0.037 6.282 345 HA VAL 52 HA VAL 52 -4.225 2.704 6.407 346 HB VAL 52 HB VAL 52 -5.076 0.236 5.071 347 HG11 VAL 52 1HG1 VAL 52 -7.099 1.761 6.748 348 HG12 VAL 52 2HG1 VAL 52 -7.455 0.458 5.589 349 HG13 VAL 52 3HG1 VAL 52 -6.524 0.107 7.065 350 HG21 VAL 52 1HG2 VAL 52 -4.698 2.469 3.994 351 HG22 VAL 52 2HG2 VAL 52 -6.302 1.766 3.675 352 HG23 VAL 52 3HG2 VAL 52 -6.125 3.077 4.866 353 H ALA 53 H ALA 53 -5.501 3.146 8.248 354 HA ALA 53 HA ALA 53 -5.394 1.056 10.313 355 HB1 ALA 53 1HB ALA 53 -4.688 3.994 10.423 356 HB2 ALA 53 2HB ALA 53 -5.230 3.132 11.883 357 HB3 ALA 53 3HB ALA 53 -3.767 2.594 11.025 358 H ASN 54 H ASN 54 -7.429 0.379 10.748 359 HA ASN 54 HA ASN 54 -9.528 2.378 10.446 360 HB2 ASN 54 1HB ASN 54 -10.839 -0.069 10.547 361 HB3 ASN 54 2HB ASN 54 -10.406 0.760 9.065 362 HD21 ASN 54 1HD2 ASN 54 -9.010 -0.125 7.705 363 HD22 ASN 54 2HD2 ASN 54 -8.072 -1.555 7.983 364 H ARG 55 H ARG 55 -11.339 2.200 12.088 365 HA ARG 55 HA ARG 55 -10.463 2.176 14.627 366 HB2 ARG 55 1HB ARG 55 -13.011 2.291 13.264 367 HB3 ARG 55 2HB ARG 55 -13.199 1.232 14.648 368 HG2 ARG 55 1HG ARG 55 -12.495 2.938 16.192 369 HG3 ARG 55 2HG ARG 55 -11.832 3.938 14.914 370 HD2 ARG 55 1HD ARG 55 -13.869 4.867 14.410 371 HD3 ARG 55 2HD ARG 55 -14.709 3.334 14.529 372 HE ARG 55 HE ARG 55 -15.286 3.872 16.724 373 HH11 ARG 55 2HH2 ARG 55 -12.477 5.778 15.802 374 HH12 ARG 55 1HH2 ARG 55 -12.457 6.695 17.271 375 HH21 ARG 55 2HH1 ARG 55 -15.261 5.081 18.663 376 HH22 ARG 55 1HH1 ARG 55 -14.052 6.296 18.909 377 H THR 56 H THR 56 -11.165 -0.561 12.551 378 HA THR 56 HA THR 56 -11.542 -2.428 14.719 379 HB THR 56 HB THR 56 -11.679 -4.044 12.816 380 HG1 THR 56 1HG THR 56 -10.922 -3.314 10.816 381 HG21 THR 56 1HG2 THR 56 -13.179 -1.427 12.701 382 HG22 THR 56 2HG2 THR 56 -13.287 -2.501 11.286 383 HG23 THR 56 3HG2 THR 56 -13.814 -3.080 12.884 384 H GLY 57 H GLY 57 -8.886 -1.211 12.697 385 HA2 GLY 57 1HA GLY 57 -6.879 -1.942 14.428 386 HA3 GLY 57 2HA GLY 57 -7.069 -3.314 13.354 387 H SER 58 H SER 58 -5.671 -3.280 11.657 388 HA SER 58 HA SER 58 -5.513 -0.933 10.067 389 HB2 SER 58 1HB SER 58 -2.911 -0.953 10.231 390 HB3 SER 58 2HB SER 58 -3.818 -0.149 11.497 391 HG SER 58 HG SER 58 -3.688 -2.540 12.462 392 H VAL 59 H VAL 59 -3.983 -1.377 8.107 393 HA VAL 59 HA VAL 59 -3.617 -4.238 7.668 394 HB VAL 59 HB VAL 59 -4.601 -3.862 5.351 395 HG11 VAL 59 1HG1 VAL 59 -6.148 -5.168 6.290 396 HG12 VAL 59 2HG1 VAL 59 -5.866 -4.441 7.890 397 HG13 VAL 59 3HG1 VAL 59 -7.029 -3.697 6.766 398 HG21 VAL 59 1HG2 VAL 59 -5.097 -1.720 4.875 399 HG22 VAL 59 2HG2 VAL 59 -6.573 -2.005 5.828 400 HG23 VAL 59 3HG2 VAL 59 -5.153 -1.251 6.591 401 H GLU 60 H GLU 60 -2.499 -4.417 5.304 402 HA GLU 60 HA GLU 60 -0.885 -2.177 4.674 403 HB2 GLU 60 1HB GLU 60 0.357 -4.562 6.097 404 HB3 GLU 60 2HB GLU 60 1.301 -3.479 5.094 405 HG2 GLU 60 1HG GLU 60 0.252 -1.558 6.545 406 HG3 GLU 60 2HG GLU 60 -0.190 -2.834 7.662 407 H ALA 61 H ALA 61 -0.277 -2.300 2.519 408 HA ALA 61 HA ALA 61 -0.327 -4.955 1.285 409 HB1 ALA 61 1HB ALA 61 -1.456 -3.635 -0.696 410 HB2 ALA 61 2HB ALA 61 -2.452 -4.231 0.653 411 HB3 ALA 61 3HB ALA 61 -1.966 -2.520 0.594 412 H GLN 62 H GLN 62 0.700 -4.828 -0.989 413 HA GLN 62 HA GLN 62 2.376 -2.606 -1.469 414 HB2 GLN 62 1HB GLN 62 4.532 -4.009 -1.328 415 HB3 GLN 62 2HB GLN 62 3.847 -3.459 0.188 416 HG2 GLN 62 1HG GLN 62 4.006 -5.654 0.814 417 HG3 GLN 62 2HG GLN 62 2.527 -5.856 -0.104 418 HE21 GLN 62 1HE2 GLN 62 5.991 -6.235 -0.064 419 HE22 GLN 62 2HE2 GLN 62 6.145 -7.300 -1.421 420 H THR 63 H THR 63 4.020 -3.282 -3.374 421 HA THR 63 HA THR 63 2.467 -5.033 -5.165 422 HB THR 63 HB THR 63 3.510 -3.561 -6.962 423 HG1 THR 63 1HG THR 63 5.322 -2.827 -5.681 424 HG21 THR 63 1HG2 THR 63 1.883 -1.925 -6.756 425 HG22 THR 63 2HG2 THR 63 1.302 -2.959 -5.429 426 HG23 THR 63 3HG2 THR 63 2.338 -1.555 -5.076 427 H ALA 64 H ALA 64 4.084 -5.707 -7.117 428 HA ALA 64 HA ALA 64 5.887 -7.498 -5.835 429 HB1 ALA 64 1HB ALA 64 5.298 -6.848 -8.750 430 HB2 ALA 64 2HB ALA 64 6.351 -8.178 -8.209 431 HB3 ALA 64 3HB ALA 64 4.621 -8.186 -7.790 432 H LEU 65 H LEU 65 8.110 -7.392 -5.640 433 HA LEU 65 HA LEU 65 9.361 -4.976 -5.531 434 HB2 LEU 65 1HB LEU 65 10.362 -7.785 -5.876 435 HB3 LEU 65 2HB LEU 65 11.481 -6.438 -5.834 436 HG LEU 65 HG LEU 65 11.360 -7.396 -3.647 437 HD11 LEU 65 1HD1 LEU 65 10.766 -4.691 -4.187 438 HD12 LEU 65 2HD1 LEU 65 9.752 -5.167 -2.804 439 HD13 LEU 65 3HD1 LEU 65 11.517 -5.384 -2.730 440 HD21 LEU 65 1HD2 LEU 65 9.109 -8.466 -3.992 441 HD22 LEU 65 2HD2 LEU 65 9.372 -7.746 -2.386 442 HD23 LEU 65 3HD2 LEU 65 8.377 -6.894 -3.590 443 H LYS 66 H LYS 66 10.998 -3.936 -6.885 444 HA LYS 66 HA LYS 66 10.864 -4.701 -9.698 445 HB2 LYS 66 1HB LYS 66 10.038 -2.036 -8.546 446 HB3 LYS 66 2HB LYS 66 10.628 -2.174 -10.190 447 HG2 LYS 66 1HG LYS 66 8.548 -4.175 -9.396 448 HG3 LYS 66 2HG LYS 66 8.001 -2.513 -9.482 449 HD2 LYS 66 1HD LYS 66 8.988 -2.354 -11.809 450 HD3 LYS 66 2HD LYS 66 9.408 -4.052 -11.715 451 HE2 LYS 66 1HE LYS 66 6.604 -3.668 -10.976 452 HE3 LYS 66 2HE LYS 66 6.922 -2.939 -12.538 453 HZ1 LYS 66 1HZ LYS 66 8.144 -5.160 -12.944 454 HZ2 LYS 66 2HZ LYS 66 7.191 -5.720 -11.742 455 HZ3 LYS 66 3HZ LYS 66 6.519 -5.090 -13.090 456 H LYS 67 H LYS 67 12.435 -2.771 -10.821 457 HA LYS 67 HA LYS 67 14.920 -3.107 -9.301 458 HB2 LYS 67 1HB LYS 67 15.285 -4.202 -11.292 459 HB3 LYS 67 2HB LYS 67 14.242 -3.137 -12.213 460 HG2 LYS 67 1HG LYS 67 15.925 -1.639 -12.637 461 HG3 LYS 67 2HG LYS 67 16.558 -1.735 -11.006 462 HD2 LYS 67 1HD LYS 67 18.191 -2.628 -12.650 463 HD3 LYS 67 2HD LYS 67 17.686 -3.874 -11.525 464 HE2 LYS 67 1HE LYS 67 15.840 -4.403 -13.364 465 HE3 LYS 67 2HE LYS 67 16.917 -3.532 -14.437 466 HZ1 LYS 67 1HZ LYS 67 18.155 -5.509 -12.749 467 HZ2 LYS 67 2HZ LYS 67 17.170 -6.089 -13.915 468 HZ3 LYS 67 3HZ LYS 67 18.443 -5.148 -14.316 469 H ARG 68 H ARG 68 15.347 -1.336 -8.087 470 HA ARG 68 HA ARG 68 14.258 1.056 -8.223 471 HB2 ARG 68 1HB ARG 68 15.874 0.420 -6.477 472 HB3 ARG 68 2HB ARG 68 17.189 0.410 -7.635 473 HG2 ARG 68 1HG ARG 68 15.782 2.980 -7.696 474 HG3 ARG 68 2HG ARG 68 16.313 2.606 -6.068 475 HD2 ARG 68 1HD ARG 68 18.172 2.381 -8.478 476 HD3 ARG 68 2HD ARG 68 18.001 3.865 -7.562 477 HE ARG 68 HE ARG 68 18.496 1.920 -5.623 478 HH11 ARG 68 2HH2 ARG 68 20.159 3.047 -8.512 479 HH12 ARG 68 1HH2 ARG 68 21.737 2.661 -7.909 480 HH21 ARG 68 2HH1 ARG 68 20.577 1.411 -4.827 481 HH22 ARG 68 1HH1 ARG 68 21.976 1.724 -5.800 482 H GLN 69 H GLN 69 14.074 2.639 -9.778 483 HA GLN 69 HA GLN 69 16.363 3.038 -11.516 484 HB2 GLN 69 1HB GLN 69 13.483 2.670 -12.445 485 HB3 GLN 69 2HB GLN 69 14.750 3.322 -13.465 486 HG2 GLN 69 1HG GLN 69 15.552 0.809 -12.129 487 HG3 GLN 69 2HG GLN 69 14.135 0.608 -13.141 488 HE21 GLN 69 1HE2 GLN 69 14.510 2.374 -15.152 489 HE22 GLN 69 2HE2 GLN 69 15.904 1.974 -16.100 490 H LEU 70 H LEU 70 15.603 5.138 -13.046 491 HA LEU 70 HA LEU 70 15.371 7.223 -11.120 492 HB2 LEU 70 1HB LEU 70 15.302 7.455 -14.126 493 HB3 LEU 70 2HB LEU 70 15.723 8.696 -12.962 494 HG LEU 70 HG LEU 70 17.323 6.188 -13.544 495 HD11 LEU 70 1HD1 LEU 70 18.479 8.868 -14.026 496 HD12 LEU 70 2HD1 LEU 70 18.619 7.361 -14.964 497 HD13 LEU 70 3HD1 LEU 70 17.167 8.378 -15.125 498 HD21 LEU 70 1HD2 LEU 70 18.203 6.466 -11.520 499 HD22 LEU 70 2HD2 LEU 70 18.936 7.964 -12.142 500 HD23 LEU 70 3HD2 LEU 70 17.376 8.024 -11.288 501 H HIS 71 H HIS 71 13.116 5.169 -12.579 502 HA HIS 71 HA HIS 71 10.961 6.612 -11.553 503 HB2 HIS 71 1HB HIS 71 11.387 8.095 -13.472 504 HB3 HIS 71 2HB HIS 71 11.231 6.738 -14.570 505 HD1 HIS 71 1HD HIS 71 9.198 7.868 -15.764 506 HD2 HIS 71 2HD HIS 71 8.582 7.047 -11.697 507 HE1 HIS 71 1HE HIS 71 6.696 8.145 -15.350 508 H THR 72 H THR 72 10.543 4.573 -10.612 509 HA THR 72 HA THR 72 10.149 2.321 -12.413 510 HB THR 72 HB THR 72 10.049 2.633 -9.365 511 HG1 THR 72 1HG THR 72 12.135 2.934 -10.532 512 HG21 THR 72 1HG2 THR 72 10.379 0.079 -11.007 513 HG22 THR 72 2HG2 THR 72 10.107 0.223 -9.254 514 HG23 THR 72 3HG2 THR 72 8.792 0.602 -10.393 515 H THR 73 H THR 73 8.207 1.241 -12.764 516 HA THR 73 HA THR 73 5.816 2.510 -11.645 517 HB THR 73 HB THR 73 4.876 2.338 -14.065 518 HG1 THR 73 1HG THR 73 6.695 1.022 -14.824 519 HG21 THR 73 1HG2 THR 73 6.466 4.398 -12.839 520 HG22 THR 73 2HG2 THR 73 7.002 4.257 -14.531 521 HG23 THR 73 3HG2 THR 73 5.290 4.581 -14.163 522 H TRP 74 H TRP 74 4.093 1.139 -11.273 523 HA TRP 74 HA TRP 74 4.751 -1.693 -11.680 524 HB2 TRP 74 1HB TRP 74 3.099 -0.276 -9.593 525 HB3 TRP 74 2HB TRP 74 3.014 -2.008 -9.849 526 HD1 TRP 74 HD TRP 74 4.959 -3.463 -8.761 527 HE1 TRP 74 1HE TRP 74 7.088 -3.019 -7.268 528 HE3 TRP 74 3HE TRP 74 4.939 1.592 -9.312 529 HZ2 TRP 74 2HZ TRP 74 8.494 -0.657 -6.501 530 HZ3 TRP 74 3HZ TRP 74 6.725 2.893 -8.158 531 HH2 TRP 74 HH TRP 74 8.462 1.848 -6.791 532 H GLU 75 H GLU 75 2.461 -2.994 -11.717 533 HA GLU 75 HA GLU 75 0.909 -1.621 -13.769 534 HB2 GLU 75 1HB GLU 75 2.177 -3.698 -14.468 535 HB3 GLU 75 2HB GLU 75 1.204 -4.627 -13.344 536 HG2 GLU 75 1HG GLU 75 -0.870 -3.692 -14.569 537 HG3 GLU 75 2HG GLU 75 0.232 -3.090 -15.791 538 H GLU 76 H GLU 76 0.847 -3.549 -10.758 539 HA GLU 76 HA GLU 76 -2.044 -3.280 -10.720 540 HB2 GLU 76 1HB GLU 76 -2.033 -5.001 -8.997 541 HB3 GLU 76 2HB GLU 76 -1.048 -5.547 -10.340 542 HG2 GLU 76 1HG GLU 76 1.015 -4.854 -9.148 543 HG3 GLU 76 2HG GLU 76 0.061 -4.211 -7.826 544 H GLY 77 H GLY 77 -2.783 -3.102 -8.155 545 HA2 GLY 77 1HA GLY 77 -1.209 -0.896 -6.977 546 HA3 GLY 77 2HA GLY 77 -2.940 -0.763 -7.211 547 H LEU 78 H LEU 78 -2.185 -0.435 -4.658 548 HA LEU 78 HA LEU 78 -2.061 -2.948 -3.276 549 HB2 LEU 78 1HB LEU 78 -2.469 -0.191 -2.126 550 HB3 LEU 78 2HB LEU 78 -1.906 -1.626 -1.294 551 HG LEU 78 HG LEU 78 -0.437 0.102 -3.275 552 HD11 LEU 78 1HD1 LEU 78 -0.379 -0.350 -0.407 553 HD12 LEU 78 2HD1 LEU 78 1.219 -0.602 -1.149 554 HD13 LEU 78 3HD1 LEU 78 0.364 0.942 -1.379 555 HD21 LEU 78 1HD2 LEU 78 0.090 -2.784 -2.612 556 HD22 LEU 78 2HD2 LEU 78 0.115 -1.959 -4.189 557 HD23 LEU 78 3HD2 LEU 78 1.425 -1.679 -3.017 558 H VAL 79 H VAL 79 -3.686 -3.128 -1.280 559 HA VAL 79 HA VAL 79 -6.335 -2.210 -1.916 560 HB VAL 79 HB VAL 79 -5.662 -5.157 -2.015 561 HG11 VAL 79 1HG1 VAL 79 -8.199 -5.061 -2.861 562 HG12 VAL 79 2HG1 VAL 79 -7.772 -5.243 -1.143 563 HG13 VAL 79 3HG1 VAL 79 -8.225 -3.645 -1.783 564 HG21 VAL 79 1HG2 VAL 79 -4.987 -4.139 -4.080 565 HG22 VAL 79 2HG2 VAL 79 -6.531 -4.976 -4.369 566 HG23 VAL 79 3HG2 VAL 79 -6.500 -3.206 -4.181 567 H LEU 80 H LEU 80 -6.470 -1.242 0.098 568 HA LEU 80 HA LEU 80 -5.926 -2.977 2.394 569 HB2 LEU 80 1HB LEU 80 -5.933 -0.001 1.993 570 HB3 LEU 80 2HB LEU 80 -6.114 -0.690 3.594 571 HG LEU 80 HG LEU 80 -3.894 -0.659 3.726 572 HD11 LEU 80 1HD1 LEU 80 -4.048 -2.824 1.611 573 HD12 LEU 80 2HD1 LEU 80 -2.635 -2.485 2.639 574 HD13 LEU 80 3HD1 LEU 80 -4.159 -3.040 3.374 575 HD21 LEU 80 1HD2 LEU 80 -3.990 0.904 1.709 576 HD22 LEU 80 2HD2 LEU 80 -2.443 0.085 2.034 577 HD23 LEU 80 3HD2 LEU 80 -3.508 -0.506 0.736 578 HA PRO 81 HA PRO 81 -10.235 -3.232 2.879 579 HB2 PRO 81 1HB PRO 81 -10.274 -4.723 5.169 580 HB3 PRO 81 2HB PRO 81 -10.098 -5.424 3.572 581 HG2 PRO 81 1HG PRO 81 -8.043 -5.031 5.660 582 HG3 PRO 81 2HG PRO 81 -7.999 -6.087 4.262 583 HD2 PRO 81 1HD PRO 81 -6.647 -3.575 4.558 584 HD3 PRO 81 2HD PRO 81 -6.698 -4.574 3.120 585 H LEU 82 H LEU 82 -11.782 -1.891 3.598 586 HA LEU 82 HA LEU 82 -11.523 -0.870 6.259 587 HB2 LEU 82 1HB LEU 82 -9.966 0.617 5.274 588 HB3 LEU 82 2HB LEU 82 -10.991 0.898 3.880 589 HG LEU 82 HG LEU 82 -12.673 1.932 5.534 590 HD11 LEU 82 1HD1 LEU 82 -11.828 1.166 7.622 591 HD12 LEU 82 2HD1 LEU 82 -10.206 1.816 7.282 592 HD13 LEU 82 3HD1 LEU 82 -11.569 2.926 7.564 593 HD21 LEU 82 1HD2 LEU 82 -10.384 3.752 5.586 594 HD22 LEU 82 2HD2 LEU 82 -10.641 2.994 3.997 595 HD23 LEU 82 3HD2 LEU 82 -11.960 3.904 4.772 596 H ALA 83 H ALA 83 -13.460 0.428 6.865 597 HA ALA 83 HA ALA 83 -15.721 -0.388 5.180 598 HB1 ALA 83 1HB ALA 83 -16.239 0.543 7.937 599 HB2 ALA 83 2HB ALA 83 -16.824 -0.909 7.091 600 HB3 ALA 83 3HB ALA 83 -15.208 -0.905 7.837 601 H GLU 84 H GLU 84 -17.217 1.143 4.468 602 HA GLU 84 HA GLU 84 -16.303 3.684 4.056 603 HB2 GLU 84 1HB GLU 84 -18.211 2.384 2.890 604 HB3 GLU 84 2HB GLU 84 -19.251 2.945 4.183 605 HG2 GLU 84 1HG GLU 84 -18.076 5.317 3.492 606 HG3 GLU 84 2HG GLU 84 -17.994 4.494 1.947 607 H GLU 85 H GLU 85 -17.641 2.271 6.928 608 HA GLU 85 HA GLU 85 -18.576 4.783 7.948 609 HB2 GLU 85 1HB GLU 85 -19.512 3.553 9.707 610 HB3 GLU 85 2HB GLU 85 -19.555 2.392 8.395 611 HG2 GLU 85 1HG GLU 85 -17.126 1.740 9.308 612 HG3 GLU 85 2HG GLU 85 -17.706 2.485 10.784 613 H GLU 86 H GLU 86 -15.577 3.251 7.567 614 HA GLU 86 HA GLU 86 -14.537 4.670 9.896 615 HB2 GLU 86 1HB GLU 86 -13.184 2.318 8.520 616 HB3 GLU 86 2HB GLU 86 -12.775 3.026 10.070 617 HG2 GLU 86 1HG GLU 86 -15.413 2.388 10.511 618 HG3 GLU 86 2HG GLU 86 -14.979 1.131 9.370 619 H LEU 87 H LEU 87 -15.063 5.227 6.795 620 HA LEU 87 HA LEU 87 -12.552 5.599 5.629 621 HB2 LEU 87 1HB LEU 87 -15.330 6.559 5.141 622 HB3 LEU 87 2HB LEU 87 -14.019 7.401 4.338 623 HG LEU 87 HG LEU 87 -14.431 4.407 4.156 624 HD11 LEU 87 1HD1 LEU 87 -15.810 4.611 2.366 625 HD12 LEU 87 2HD1 LEU 87 -16.266 6.107 3.216 626 HD13 LEU 87 3HD1 LEU 87 -15.117 6.169 1.859 627 HD21 LEU 87 1HD2 LEU 87 -13.042 5.809 1.985 628 HD22 LEU 87 2HD2 LEU 87 -12.206 5.901 3.554 629 HD23 LEU 87 3HD2 LEU 87 -12.615 4.316 2.855 630 HA PRO 88 HA PRO 88 -12.835 9.942 7.479 631 HB2 PRO 88 1HB PRO 88 -14.707 10.493 9.392 632 HB3 PRO 88 2HB PRO 88 -14.934 10.863 7.694 633 HG2 PRO 88 1HG PRO 88 -16.138 8.688 9.293 634 HG3 PRO 88 2HG PRO 88 -16.657 9.331 7.748 635 HD2 PRO 88 1HD PRO 88 -15.255 6.870 8.198 636 HD3 PRO 88 2HD PRO 88 -15.672 7.570 6.647 637 H THR 89 H THR 89 -12.982 7.070 9.174 638 HA THR 89 HA THR 89 -11.267 8.254 11.259 639 HB THR 89 HB THR 89 -12.264 6.695 12.824 640 HG1 THR 89 1HG THR 89 -12.884 4.787 11.894 641 HG21 THR 89 1HG2 THR 89 -13.972 8.454 11.295 642 HG22 THR 89 2HG2 THR 89 -14.861 6.938 11.578 643 HG23 THR 89 3HG2 THR 89 -14.220 7.865 12.956 644 H ALA 90 H ALA 90 -10.461 7.337 8.579 645 HA ALA 90 HA ALA 90 -8.519 5.387 9.514 646 HB1 ALA 90 1HB ALA 90 -10.242 3.952 8.612 647 HB2 ALA 90 2HB ALA 90 -10.396 4.965 7.157 648 HB3 ALA 90 3HB ALA 90 -8.914 4.018 7.429 649 H THR 91 H THR 91 -6.557 5.419 8.252 650 HA THR 91 HA THR 91 -6.440 7.507 6.200 651 HB THR 91 HB THR 91 -4.532 7.272 8.586 652 HG1 THR 91 1HG THR 91 -6.553 9.254 7.817 653 HG21 THR 91 1HG2 THR 91 -3.831 8.360 6.245 654 HG22 THR 91 2HG2 THR 91 -4.890 9.683 6.786 655 HG23 THR 91 3HG2 THR 91 -3.478 9.217 7.764 656 H LEU 92 H LEU 92 -4.632 7.311 4.735 657 HA LEU 92 HA LEU 92 -3.555 4.576 4.753 658 HB2 LEU 92 1HB LEU 92 -5.160 4.743 3.014 659 HB3 LEU 92 2HB LEU 92 -4.535 6.289 2.477 660 HG LEU 92 HG LEU 92 -4.007 4.151 1.113 661 HD11 LEU 92 1HD1 LEU 92 -2.545 5.453 0.056 662 HD12 LEU 92 2HD1 LEU 92 -2.759 6.621 1.382 663 HD13 LEU 92 3HD1 LEU 92 -1.422 5.447 1.438 664 HD21 LEU 92 1HD2 LEU 92 -1.725 3.208 1.875 665 HD22 LEU 92 2HD2 LEU 92 -2.181 3.820 3.483 666 HD23 LEU 92 3HD2 LEU 92 -3.206 2.616 2.665 667 H THR 93 H THR 93 -1.432 4.565 5.238 668 HA THR 93 HA THR 93 0.128 6.935 4.450 669 HB THR 93 HB THR 93 0.216 4.996 6.790 670 HG1 THR 93 1HG THR 93 -0.792 6.961 7.260 671 HG21 THR 93 1HG2 THR 93 2.567 5.106 5.984 672 HG22 THR 93 2HG2 THR 93 2.443 6.876 5.842 673 HG23 THR 93 3HG2 THR 93 2.377 6.105 7.445 674 H LEU 94 H LEU 94 1.392 6.716 2.725 675 HA LEU 94 HA LEU 94 2.002 4.041 1.812 676 HB2 LEU 94 1HB LEU 94 2.679 6.718 0.588 677 HB3 LEU 94 2HB LEU 94 2.821 5.149 -0.179 678 HG LEU 94 HG LEU 94 0.205 6.371 0.741 679 HD11 LEU 94 1HD1 LEU 94 1.429 6.278 -2.030 680 HD12 LEU 94 2HD1 LEU 94 -0.233 6.790 -1.649 681 HD13 LEU 94 3HD1 LEU 94 1.150 7.726 -1.033 682 HD21 LEU 94 1HD2 LEU 94 0.892 3.842 -0.755 683 HD22 LEU 94 2HD2 LEU 94 -0.092 4.044 0.715 684 HD23 LEU 94 3HD2 LEU 94 -0.716 4.600 -0.857 685 H THR 95 H THR 95 4.125 3.200 1.534 686 HA THR 95 HA THR 95 6.315 4.753 2.653 687 HB THR 95 HB THR 95 6.652 2.290 3.909 688 HG1 THR 95 1HG THR 95 3.876 3.203 4.108 689 HG21 THR 95 1HG2 THR 95 5.608 3.466 5.959 690 HG22 THR 95 2HG2 THR 95 6.954 4.333 5.182 691 HG23 THR 95 3HG2 THR 95 5.275 4.841 4.879 692 H LEU 96 H LEU 96 8.356 4.143 1.904 693 HA LEU 96 HA LEU 96 8.254 2.074 -0.181 694 HB2 LEU 96 1HB LEU 96 8.865 4.849 -0.379 695 HB3 LEU 96 2HB LEU 96 10.344 3.953 -0.663 696 HG LEU 96 HG LEU 96 7.792 3.251 -2.111 697 HD11 LEU 96 1HD1 LEU 96 9.772 5.429 -2.789 698 HD12 LEU 96 2HD1 LEU 96 8.723 4.662 -4.006 699 HD13 LEU 96 3HD1 LEU 96 8.003 5.541 -2.636 700 HD21 LEU 96 1HD2 LEU 96 9.298 2.300 -3.765 701 HD22 LEU 96 2HD2 LEU 96 10.709 2.860 -2.836 702 HD23 LEU 96 3HD2 LEU 96 9.631 1.618 -2.155 703 H ARG 97 H ARG 97 9.103 0.314 0.869 704 HA ARG 97 HA ARG 97 11.478 0.799 2.450 705 HB2 ARG 97 1HB ARG 97 9.433 -1.430 2.300 706 HB3 ARG 97 2HB ARG 97 11.027 -1.801 2.927 707 HG2 ARG 97 1HG ARG 97 10.331 -1.004 4.935 708 HG3 ARG 97 2HG ARG 97 10.348 0.601 4.230 709 HD2 ARG 97 1HD ARG 97 8.015 0.544 3.726 710 HD3 ARG 97 2HD ARG 97 7.935 -1.203 3.836 711 HE ARG 97 HE ARG 97 7.731 0.682 6.045 712 HH11 ARG 97 2HH2 ARG 97 8.719 -2.588 5.199 713 HH12 ARG 97 1HH2 ARG 97 8.484 -3.210 6.798 714 HH21 ARG 97 2HH1 ARG 97 7.422 -0.138 8.155 715 HH22 ARG 97 1HH1 ARG 97 7.741 -1.807 8.491 716 H THR 98 H THR 98 13.460 -0.397 2.047 717 HA THR 98 HA THR 98 13.621 -1.402 -0.707 718 HB THR 98 HB THR 98 16.140 -0.988 -0.206 719 HG1 THR 98 1HG THR 98 16.486 -0.231 1.854 720 HG21 THR 98 1HG2 THR 98 15.996 1.281 -0.805 721 HG22 THR 98 2HG2 THR 98 14.369 0.733 -1.275 722 HG23 THR 98 3HG2 THR 98 14.611 1.578 0.273 723 H CYS 99 H CYS 99 13.901 -3.501 -1.139 724 HA CYS 99 HA CYS 99 13.693 -5.400 0.840 725 HB2 CYS 99 1HB CYS 99 13.214 -5.723 -1.602 726 HB3 CYS 99 2HB CYS 99 14.939 -5.795 -1.899 727 HG CYS 99 HG CYS 99 13.077 -7.699 0.069 728 H ASP 100 H ASP 100 15.154 -5.552 2.526 729 HA ASP 100 HA ASP 100 17.926 -5.886 1.744 730 HB2 ASP 100 1HB ASP 100 16.921 -3.589 3.067 731 HB3 ASP 100 2HB ASP 100 17.653 -4.543 4.342 732 H ARG 101 H ARG 101 19.188 -6.741 3.857 733 HA ARG 101 HA ARG 101 18.297 -9.118 4.551 734 HB2 ARG 101 1HB ARG 101 20.526 -8.061 5.171 735 HB3 ARG 101 2HB ARG 101 19.730 -7.246 6.503 736 HG2 ARG 101 1HG ARG 101 18.940 -9.622 7.247 737 HG3 ARG 101 2HG ARG 101 20.130 -10.238 6.117 738 HD2 ARG 101 1HD ARG 101 21.144 -8.105 7.942 739 HD3 ARG 101 2HD ARG 101 20.669 -9.587 8.747 740 HE ARG 101 HE ARG 101 22.262 -10.192 6.414 741 HH11 ARG 101 2HH2 ARG 101 22.523 -8.995 9.712 742 HH12 ARG 101 1HH2 ARG 101 24.159 -9.529 9.912 743 HH21 ARG 101 2HH1 ARG 101 24.419 -10.898 6.677 744 HH22 ARG 101 1HH1 ARG 101 25.244 -10.619 8.174 745 H PHE 102 H PHE 102 17.966 -6.261 6.798 746 HA PHE 102 HA PHE 102 15.423 -7.425 7.682 747 HB2 PHE 102 1HB PHE 102 17.782 -6.210 9.228 748 HB3 PHE 102 2HB PHE 102 16.202 -6.381 9.966 749 HD1 PHE 102 1HD PHE 102 15.284 -8.988 9.149 750 HD2 PHE 102 2HD PHE 102 19.210 -7.750 10.177 751 HE1 PHE 102 1HE PHE 102 15.850 -11.340 9.818 752 HE2 PHE 102 2HE PHE 102 19.777 -10.102 10.846 753 HZ PHE 102 HZ PHE 102 18.090 -11.869 10.659 754 H SER 103 H SER 103 16.204 -5.242 5.695 755 HA SER 103 HA SER 103 15.511 -3.273 5.108 756 HB2 SER 103 1HB SER 103 13.519 -3.670 7.380 757 HB3 SER 103 2HB SER 103 13.444 -2.312 6.275 758 HG SER 103 HG SER 103 12.089 -4.213 5.694 759 H ARG 104 H ARG 104 17.828 -3.002 6.322 760 HA ARG 104 HA ARG 104 17.823 -1.624 8.729 761 HB2 ARG 104 1HB ARG 104 19.894 -1.615 6.475 762 HB3 ARG 104 2HB ARG 104 20.197 -1.041 8.103 763 HG2 ARG 104 1HG ARG 104 19.131 -3.848 7.690 764 HG3 ARG 104 2HG ARG 104 20.834 -3.528 7.430 765 HD2 ARG 104 1HD ARG 104 20.135 -2.243 9.898 766 HD3 ARG 104 2HD ARG 104 19.411 -3.838 9.946 767 HE ARG 104 HE ARG 104 21.559 -4.812 9.963 768 HH11 ARG 104 2HH2 ARG 104 21.797 -1.379 9.229 769 HH12 ARG 104 1HH2 ARG 104 23.520 -1.331 9.404 770 HH21 ARG 104 2HH1 ARG 104 23.832 -4.750 10.193 771 HH22 ARG 104 1HH1 ARG 104 24.685 -3.261 9.956 772 H HIS 105 H HIS 105 16.256 0.110 8.572 773 HA HIS 105 HA HIS 105 17.095 2.573 8.124 774 HB2 HIS 105 1HB HIS 105 16.641 1.277 5.522 775 HB3 HIS 105 2HB HIS 105 15.792 2.799 5.705 776 HD1 HIS 105 1HD HIS 105 18.225 2.390 3.743 777 HD2 HIS 105 2HD HIS 105 18.466 4.050 7.587 778 HE1 HIS 105 1HE HIS 105 20.332 3.830 3.769 779 H SER 106 H SER 106 14.543 0.165 7.828 780 HA SER 106 HA SER 106 12.585 0.170 8.846 781 HB2 SER 106 1HB SER 106 13.551 2.189 10.236 782 HB3 SER 106 2HB SER 106 12.560 3.182 9.185 783 HG SER 106 HG SER 106 10.903 1.274 9.925 784 H VAL 107 H VAL 107 12.855 3.383 7.139 785 HA VAL 107 HA VAL 107 11.149 2.369 5.032 786 HB VAL 107 HB VAL 107 10.322 4.422 7.049 787 HG11 VAL 107 1HG1 VAL 107 9.305 4.344 4.188 788 HG12 VAL 107 2HG1 VAL 107 8.692 5.373 5.504 789 HG13 VAL 107 3HG1 VAL 107 10.342 5.613 4.882 790 HG21 VAL 107 1HG2 VAL 107 8.100 3.293 6.664 791 HG22 VAL 107 2HG2 VAL 107 8.946 2.136 5.607 792 HG23 VAL 107 3HG2 VAL 107 9.372 2.242 7.332 793 H ALA 108 H ALA 108 11.578 3.372 3.067 794 HA ALA 108 HA ALA 108 13.900 5.085 3.077 795 HB1 ALA 108 1HB ALA 108 14.094 4.496 0.830 796 HB2 ALA 108 2HB ALA 108 13.279 3.063 1.502 797 HB3 ALA 108 3HB ALA 108 12.338 4.292 0.623 798 H GLY 109 H GLY 109 10.375 5.262 2.562 799 HA2 GLY 109 1HA GLY 109 10.398 8.099 2.868 800 HA3 GLY 109 2HA GLY 109 10.130 7.640 1.198 801 H GLU 110 H GLU 110 8.537 8.459 3.982 802 HA GLU 110 HA GLU 110 6.333 6.639 3.416 803 HB2 GLU 110 1HB GLU 110 6.731 6.345 5.685 804 HB3 GLU 110 2HB GLU 110 7.326 7.978 5.911 805 HG2 GLU 110 1HG GLU 110 5.016 8.874 5.698 806 HG3 GLU 110 2HG GLU 110 4.400 7.261 5.399 807 H LEU 111 H LEU 111 4.211 7.485 3.060 808 HA LEU 111 HA LEU 111 4.105 10.403 2.771 809 HB2 LEU 111 1HB LEU 111 4.166 8.557 0.676 810 HB3 LEU 111 2HB LEU 111 2.474 8.987 0.835 811 HG LEU 111 HG LEU 111 4.484 11.202 0.788 812 HD11 LEU 111 1HD1 LEU 111 5.404 10.427 -1.104 813 HD12 LEU 111 2HD1 LEU 111 4.084 9.269 -1.397 814 HD13 LEU 111 3HD1 LEU 111 3.892 10.975 -1.865 815 HD21 LEU 111 1HD2 LEU 111 2.703 12.491 0.421 816 HD22 LEU 111 2HD2 LEU 111 2.080 11.418 -0.856 817 HD23 LEU 111 3HD2 LEU 111 1.724 11.068 0.853 818 H ARG 112 H ARG 112 2.093 11.369 3.277 819 HA ARG 112 HA ARG 112 0.351 9.532 4.704 820 HB2 ARG 112 1HB ARG 112 1.115 11.162 6.260 821 HB3 ARG 112 2HB ARG 112 1.055 12.459 5.083 822 HG2 ARG 112 1HG ARG 112 -0.805 12.714 6.664 823 HG3 ARG 112 2HG ARG 112 -1.443 12.341 5.075 824 HD2 ARG 112 1HD ARG 112 -2.625 10.700 6.144 825 HD3 ARG 112 2HD ARG 112 -1.123 9.798 6.115 826 HE ARG 112 HE ARG 112 -0.888 10.144 8.422 827 HH11 ARG 112 2HH2 ARG 112 -3.285 12.384 7.149 828 HH12 ARG 112 1HH2 ARG 112 -3.777 12.945 8.712 829 HH21 ARG 112 2HH1 ARG 112 -1.537 10.884 10.484 830 HH22 ARG 112 1HH1 ARG 112 -2.777 12.086 10.622 831 H LEU 113 H LEU 113 -1.905 9.521 4.250 832 HA LEU 113 HA LEU 113 -2.888 11.476 2.335 833 HB2 LEU 113 1HB LEU 113 -3.214 8.518 1.844 834 HB3 LEU 113 2HB LEU 113 -3.747 9.839 0.824 835 HG LEU 113 HG LEU 113 -0.852 9.153 1.406 836 HD11 LEU 113 1HD1 LEU 113 -1.113 8.668 -1.220 837 HD12 LEU 113 2HD1 LEU 113 -1.346 7.424 0.031 838 HD13 LEU 113 3HD1 LEU 113 -2.756 8.241 -0.684 839 HD21 LEU 113 1HD2 LEU 113 -1.846 11.587 0.647 840 HD22 LEU 113 2HD2 LEU 113 -0.205 10.989 0.300 841 HD23 LEU 113 3HD2 LEU 113 -1.488 10.829 -0.924 842 H GLY 114 H GLY 114 -5.397 10.985 2.014 843 HA2 GLY 114 1HA GLY 114 -6.486 10.145 4.632 844 HA3 GLY 114 2HA GLY 114 -6.980 11.634 3.850 845 H LEU 115 H LEU 115 -8.551 9.147 4.560 846 HA LEU 115 HA LEU 115 -9.308 8.277 1.869 847 HB2 LEU 115 1HB LEU 115 -10.121 7.053 4.500 848 HB3 LEU 115 2HB LEU 115 -10.301 6.373 2.895 849 HG LEU 115 HG LEU 115 -7.654 6.882 4.282 850 HD11 LEU 115 1HD1 LEU 115 -8.959 5.123 5.390 851 HD12 LEU 115 2HD1 LEU 115 -9.125 4.270 3.836 852 HD13 LEU 115 3HD1 LEU 115 -7.518 4.468 4.575 853 HD21 LEU 115 1HD2 LEU 115 -8.388 5.999 1.540 854 HD22 LEU 115 2HD2 LEU 115 -6.974 6.911 2.120 855 HD23 LEU 115 3HD2 LEU 115 -7.044 5.145 2.337 856 H ASP 116 H ASP 116 -10.404 9.931 4.832 857 HA ASP 116 HA ASP 116 -13.037 9.931 4.620 858 HB2 ASP 116 1HB ASP 116 -13.007 12.269 5.506 859 HB3 ASP 116 2HB ASP 116 -11.847 11.235 6.315 860 H GLY 117 H GLY 117 -10.684 11.682 2.541 861 HA2 GLY 117 1HA GLY 117 -11.251 12.004 0.232 862 HA3 GLY 117 2HA GLY 117 -12.896 12.375 0.709 863 H THR 118 H THR 118 -9.859 13.511 2.299 864 HA THR 118 HA THR 118 -10.654 16.251 1.561 865 HB THR 118 HB THR 118 -9.479 15.011 4.084 866 HG1 THR 118 1HG THR 118 -11.662 15.354 4.358 867 HG21 THR 118 1HG2 THR 118 -9.047 17.233 4.959 868 HG22 THR 118 2HG2 THR 118 -8.181 17.140 3.406 869 HG23 THR 118 3HG2 THR 118 -9.734 18.002 3.508 870 H SER 119 H SER 119 -7.593 15.015 2.975 871 HA SER 119 HA SER 119 -5.929 16.589 1.675 872 HB2 SER 119 1HB SER 119 -5.608 13.641 2.350 873 HB3 SER 119 2HB SER 119 -4.273 14.592 1.730 874 HG SER 119 HG SER 119 -5.703 15.730 3.899 875 H VAL 120 H VAL 120 -6.583 13.217 0.447 876 HA VAL 120 HA VAL 120 -6.257 14.305 -2.265 877 HB VAL 120 HB VAL 120 -4.391 13.014 -2.079 878 HG11 VAL 120 1HG1 VAL 120 -4.851 12.315 0.263 879 HG12 VAL 120 2HG1 VAL 120 -5.871 10.996 -0.360 880 HG13 VAL 120 3HG1 VAL 120 -4.128 11.021 -0.723 881 HG21 VAL 120 1HG2 VAL 120 -6.265 12.036 -3.719 882 HG22 VAL 120 2HG2 VAL 120 -4.664 11.278 -3.539 883 HG23 VAL 120 3HG2 VAL 120 -6.067 10.615 -2.666 884 HA PRO 121 HA PRO 121 -10.291 12.783 -2.765 885 HB2 PRO 121 1HB PRO 121 -10.578 13.254 -5.441 886 HB3 PRO 121 2HB PRO 121 -10.824 14.486 -4.220 887 HG2 PRO 121 1HG PRO 121 -8.541 14.134 -6.064 888 HG3 PRO 121 2HG PRO 121 -9.008 15.558 -5.154 889 HD2 PRO 121 1HD PRO 121 -6.866 13.753 -4.536 890 HD3 PRO 121 2HD PRO 121 -7.407 15.108 -3.567 891 H LEU 122 H LEU 122 -11.629 11.230 -4.147 892 HA LEU 122 HA LEU 122 -9.894 8.913 -4.480 893 HB2 LEU 122 1HB LEU 122 -12.865 9.262 -4.131 894 HB3 LEU 122 2HB LEU 122 -12.149 7.735 -4.605 895 HG LEU 122 HG LEU 122 -11.410 9.215 -2.068 896 HD11 LEU 122 1HD1 LEU 122 -13.445 8.659 -1.331 897 HD12 LEU 122 2HD1 LEU 122 -13.742 7.550 -2.691 898 HD13 LEU 122 3HD1 LEU 122 -12.819 6.993 -1.275 899 HD21 LEU 122 1HD2 LEU 122 -9.649 7.757 -2.646 900 HD22 LEU 122 2HD2 LEU 122 -10.605 6.894 -1.417 901 HD23 LEU 122 3HD2 LEU 122 -10.769 6.463 -3.137 902 H GLY 123 H GLY 123 -10.111 7.531 -6.394 903 HA2 GLY 123 1HA GLY 123 -10.158 7.203 -8.616 904 HA3 GLY 123 2HA GLY 123 -11.573 8.236 -8.668 905 H ALA 124 H ALA 124 -8.820 9.774 -7.218 906 HA ALA 124 HA ALA 124 -8.180 11.048 -9.790 907 HB1 ALA 124 1HB ALA 124 -9.224 12.172 -7.307 908 HB2 ALA 124 2HB ALA 124 -7.664 12.906 -7.748 909 HB3 ALA 124 3HB ALA 124 -9.019 12.939 -8.900 910 H ALA 125 H ALA 125 -6.256 10.042 -10.288 911 HA ALA 125 HA ALA 125 -4.387 9.356 -8.247 912 HB1 ALA 125 1HB ALA 125 -3.175 8.367 -10.000 913 HB2 ALA 125 2HB ALA 125 -4.859 8.253 -10.566 914 HB3 ALA 125 3HB ALA 125 -3.789 9.523 -11.206 915 H GLN 126 H GLN 126 -2.858 10.635 -7.333 916 HA GLN 126 HA GLN 126 -1.940 12.897 -8.897 917 HB2 GLN 126 1HB GLN 126 -1.992 14.088 -6.468 918 HB3 GLN 126 2HB GLN 126 -3.313 14.210 -7.612 919 HG2 GLN 126 1HG GLN 126 -4.317 12.113 -6.513 920 HG3 GLN 126 2HG GLN 126 -3.090 12.267 -5.270 921 HE21 GLN 126 1HE2 GLN 126 -5.210 14.503 -7.068 922 HE22 GLN 126 2HE2 GLN 126 -5.864 15.334 -5.696 923 H TRP 127 H TRP 127 0.227 13.597 -8.359 924 HA TRP 127 HA TRP 127 1.819 11.474 -7.292 925 HB2 TRP 127 1HB TRP 127 2.385 14.169 -8.496 926 HB3 TRP 127 2HB TRP 127 3.653 13.251 -7.708 927 HD1 TRP 127 HD TRP 127 1.317 13.025 -10.788 928 HE1 TRP 127 1HE TRP 127 2.281 11.350 -12.585 929 HE3 TRP 127 3HE TRP 127 5.148 11.320 -7.913 930 HZ2 TRP 127 2HZ TRP 127 4.488 9.541 -12.602 931 HZ3 TRP 127 3HZ TRP 127 6.661 9.599 -8.895 932 HH2 TRP 127 HH TRP 127 6.379 8.712 -11.155 933 H GLY 128 H GLY 128 3.597 12.110 -5.603 934 HA2 GLY 128 1HA GLY 128 2.952 14.188 -3.742 935 HA3 GLY 128 2HA GLY 128 2.458 12.611 -3.162 936 H GLU 129 H GLU 129 4.752 14.644 -2.491 937 HA GLU 129 HA GLU 129 7.076 13.107 -3.090 938 HB2 GLU 129 1HB GLU 129 6.459 15.725 -1.789 939 HB3 GLU 129 2HB GLU 129 7.921 14.933 -1.238 940 HG2 GLU 129 1HG GLU 129 9.022 15.434 -3.162 941 HG3 GLU 129 2HG GLU 129 7.735 14.770 -4.149 942 H LEU 130 H LEU 130 8.307 11.823 -1.651 943 HA LEU 130 HA LEU 130 6.798 10.698 0.498 944 HB2 LEU 130 1HB LEU 130 9.552 10.201 -0.622 945 HB3 LEU 130 2HB LEU 130 8.933 9.351 0.780 946 HG LEU 130 HG LEU 130 7.510 9.347 -1.889 947 HD11 LEU 130 1HD1 LEU 130 8.980 7.928 -2.747 948 HD12 LEU 130 2HD1 LEU 130 10.015 8.163 -1.318 949 HD13 LEU 130 3HD1 LEU 130 8.813 6.851 -1.339 950 HD21 LEU 130 1HD2 LEU 130 6.958 6.993 -0.539 951 HD22 LEU 130 2HD2 LEU 130 6.972 8.222 0.749 952 HD23 LEU 130 3HD2 LEU 130 5.900 8.419 -0.658 953 H LYS 131 H LYS 131 6.960 11.078 2.675 954 HA LYS 131 HA LYS 131 8.608 13.351 3.414 955 HB2 LYS 131 1HB LYS 131 6.457 11.855 4.944 956 HB3 LYS 131 2HB LYS 131 7.283 13.296 5.500 957 HG2 LYS 131 1HG LYS 131 5.800 13.221 2.840 958 HG3 LYS 131 2HG LYS 131 4.987 13.622 4.340 959 HD2 LYS 131 1HD LYS 131 5.676 15.764 4.053 960 HD3 LYS 131 2HD LYS 131 7.308 15.222 4.386 961 HE2 LYS 131 1HE LYS 131 6.923 14.488 1.700 962 HE3 LYS 131 2HE LYS 131 6.093 16.027 1.819 963 HZ1 LYS 131 1HZ LYS 131 8.887 15.460 2.041 964 HZ2 LYS 131 2HZ LYS 131 8.136 16.829 1.564 965 HZ3 LYS 131 3HZ LYS 131 8.335 16.519 3.155 966 H THR 132 H THR 132 10.440 11.613 2.809 967 HA THR 132 HA THR 132 11.114 9.487 4.299 968 HB THR 132 HB THR 132 13.464 10.147 3.790 969 HG1 THR 132 1HG THR 132 12.062 12.660 3.200 970 HG21 THR 132 1HG2 THR 132 13.227 10.058 1.494 971 HG22 THR 132 2HG2 THR 132 11.500 9.826 1.861 972 HG23 THR 132 3HG2 THR 132 12.117 11.449 1.468 973 H SER 133 H SER 133 11.259 12.904 5.371 974 HA SER 133 HA SER 133 11.606 13.798 7.320 975 HB2 SER 133 1HB SER 133 10.123 11.301 7.923 976 HB3 SER 133 2HB SER 133 10.983 11.956 9.303 977 HG SER 133 HG SER 133 8.636 12.740 8.535 978 H GLY 134 H GLY 134 13.929 13.932 7.076 979 HA2 GLY 134 1HA GLY 134 15.773 13.675 8.632 980 HA3 GLY 134 2HA GLY 134 15.391 11.968 8.737 981 HA PRO 135 HA PRO 135 18.437 12.685 5.351 982 HB2 PRO 135 1HB PRO 135 20.702 11.697 6.519 983 HB3 PRO 135 2HB PRO 135 20.318 13.406 6.467 984 HG2 PRO 135 1HG PRO 135 20.142 11.536 8.749 985 HG3 PRO 135 2HG PRO 135 20.178 13.287 8.766 986 HD2 PRO 135 1HD PRO 135 17.878 11.615 9.140 987 HD3 PRO 135 2HD PRO 135 17.897 13.364 9.041 988 H SER 136 H SER 136 18.606 9.963 7.599 989 HA SER 136 HA SER 136 18.233 7.841 7.255 990 HB2 SER 136 1HB SER 136 16.755 8.981 5.141 991 HB3 SER 136 2HB SER 136 17.726 7.745 4.366 992 HG SER 136 HG SER 136 16.385 7.079 6.802 993 H SER 137 H SER 137 19.682 9.231 4.213 994 HA SER 137 HA SER 137 21.410 7.038 3.904 995 HB2 SER 137 1HB SER 137 20.668 9.405 2.438 996 HB3 SER 137 2HB SER 137 22.418 9.366 2.535 997 HG SER 137 HG SER 137 21.848 6.880 1.954 998 H GLY 138 H GLY 138 23.840 7.165 3.967 999 HA2 GLY 138 1HA GLY 138 25.828 7.904 4.807 1000 HA3 GLY 138 2HA GLY 138 25.033 9.298 5.510 Start of MODEL 2 1 H1 GLY 1 H GLY 1 5.223 12.320 20.422 2 HA2 GLY 1 1HA GLY 1 7.209 11.279 18.858 3 HA3 GLY 1 2HA GLY 1 5.822 11.355 17.790 4 H SER 2 H SER 2 4.938 13.389 17.148 5 HA SER 2 HA SER 2 5.038 15.480 16.572 6 HB2 SER 2 1HB SER 2 5.939 15.718 19.461 7 HB3 SER 2 2HB SER 2 5.784 17.142 18.452 8 HG SER 2 HG SER 2 3.643 17.040 18.589 9 H SER 3 H SER 3 6.605 17.534 16.371 10 HA SER 3 HA SER 3 8.473 18.351 15.629 11 HB2 SER 3 1HB SER 3 9.774 16.203 17.360 12 HB3 SER 3 2HB SER 3 10.663 17.497 16.582 13 HG SER 3 HG SER 3 9.523 19.045 17.829 14 H GLY 4 H GLY 4 10.083 18.067 13.910 15 HA2 GLY 4 1HA GLY 4 10.093 15.375 12.697 16 HA3 GLY 4 2HA GLY 4 9.693 16.796 11.752 17 H SER 5 H SER 5 11.383 18.699 11.981 18 HA SER 5 HA SER 5 13.394 19.437 11.639 19 HB2 SER 5 1HB SER 5 14.316 17.019 13.256 20 HB3 SER 5 2HB SER 5 15.340 18.374 12.825 21 HG SER 5 HG SER 5 13.441 19.661 13.925 22 H SER 6 H SER 6 15.719 18.727 10.660 23 HA SER 6 HA SER 6 16.830 17.832 9.023 24 HB2 SER 6 1HB SER 6 14.940 15.454 9.307 25 HB3 SER 6 2HB SER 6 16.407 15.449 8.348 26 HG SER 6 HG SER 6 16.594 16.236 11.090 27 H GLY 7 H GLY 7 16.786 17.716 6.671 28 HA2 GLY 7 1HA GLY 7 14.123 18.333 5.536 29 HA3 GLY 7 2HA GLY 7 15.622 19.072 5.011 30 H SER 8 H SER 8 15.592 18.349 2.853 31 HA SER 8 HA SER 8 16.150 15.519 2.602 32 HB2 SER 8 1HB SER 8 13.819 16.963 1.450 33 HB3 SER 8 2HB SER 8 14.704 15.988 0.294 34 HG SER 8 HG SER 8 13.176 14.618 1.204 35 H TRP 9 H TRP 9 15.807 18.676 0.822 36 HA TRP 9 HA TRP 9 17.130 19.713 -0.617 37 HB2 TRP 9 1HB TRP 9 19.015 18.318 1.157 38 HB3 TRP 9 2HB TRP 9 19.681 18.740 -0.409 39 HD1 TRP 9 HD TRP 9 17.388 20.788 2.029 40 HE1 TRP 9 1HE TRP 9 18.385 23.201 2.412 41 HE3 TRP 9 3HE TRP 9 21.505 20.120 -0.879 42 HZ2 TRP 9 2HZ TRP 9 20.731 24.530 1.477 43 HZ3 TRP 9 3HZ TRP 9 23.099 22.025 -1.091 44 HH2 TRP 9 HH TRP 9 22.765 24.171 0.029 45 H ASN 10 H ASN 10 18.408 19.368 -2.698 46 HA ASN 10 HA ASN 10 18.557 18.415 -4.641 47 HB2 ASN 10 1HB ASN 10 19.465 16.353 -2.720 48 HB3 ASN 10 2HB ASN 10 18.896 15.646 -4.219 49 HD21 ASN 10 1HD2 ASN 10 21.568 15.699 -3.204 50 HD22 ASN 10 2HD2 ASN 10 22.571 16.538 -4.339 51 H GLN 11 H GLN 11 17.649 16.349 -6.049 52 HA GLN 11 HA GLN 11 15.016 16.551 -6.255 53 HB2 GLN 11 1HB GLN 11 16.989 14.948 -7.389 54 HB3 GLN 11 2HB GLN 11 15.904 13.762 -6.691 55 HG2 GLN 11 1HG GLN 11 14.001 14.646 -7.920 56 HG3 GLN 11 2HG GLN 11 14.901 16.064 -8.421 57 HE21 GLN 11 1HE2 GLN 11 14.051 15.245 -10.517 58 HE22 GLN 11 2HE2 GLN 11 15.026 14.142 -11.430 59 H ALA 12 H ALA 12 13.197 15.977 -5.120 60 HA ALA 12 HA ALA 12 13.611 14.439 -2.692 61 HB1 ALA 12 1HB ALA 12 11.673 16.441 -3.732 62 HB2 ALA 12 2HB ALA 12 10.987 15.178 -2.682 63 HB3 ALA 12 3HB ALA 12 12.309 16.210 -2.085 64 HA PRO 13 HA PRO 13 11.787 10.866 -4.306 65 HB2 PRO 13 1HB PRO 13 10.813 9.670 -2.049 66 HB3 PRO 13 2HB PRO 13 12.500 9.600 -2.519 67 HG2 PRO 13 1HG PRO 13 11.235 11.211 -0.387 68 HG3 PRO 13 2HG PRO 13 12.926 10.802 -0.597 69 HD2 PRO 13 1HD PRO 13 11.686 13.321 -1.180 70 HD3 PRO 13 2HD PRO 13 13.350 12.874 -1.497 71 H LYS 14 H LYS 14 10.125 10.753 -5.663 72 HA LYS 14 HA LYS 14 7.601 11.754 -4.555 73 HB2 LYS 14 1HB LYS 14 8.973 12.123 -7.097 74 HB3 LYS 14 2HB LYS 14 7.348 11.513 -7.333 75 HG2 LYS 14 1HG LYS 14 6.679 13.352 -5.543 76 HG3 LYS 14 2HG LYS 14 8.223 14.068 -5.959 77 HD2 LYS 14 1HD LYS 14 6.277 13.267 -8.147 78 HD3 LYS 14 2HD LYS 14 6.068 14.785 -7.298 79 HE2 LYS 14 1HE LYS 14 8.736 14.013 -8.552 80 HE3 LYS 14 2HE LYS 14 7.486 14.821 -9.477 81 HZ1 LYS 14 1HZ LYS 14 7.737 16.199 -7.111 82 HZ2 LYS 14 2HZ LYS 14 9.261 15.926 -7.632 83 HZ3 LYS 14 3HZ LYS 14 8.193 16.693 -8.600 84 H LEU 15 H LEU 15 5.672 10.526 -4.817 85 HA LEU 15 HA LEU 15 6.003 7.844 -5.892 86 HB2 LEU 15 1HB LEU 15 6.517 7.243 -3.750 87 HB3 LEU 15 2HB LEU 15 5.562 8.524 -3.029 88 HG LEU 15 HG LEU 15 3.499 7.315 -3.487 89 HD11 LEU 15 1HD1 LEU 15 5.024 4.923 -4.471 90 HD12 LEU 15 2HD1 LEU 15 3.307 5.344 -4.675 91 HD13 LEU 15 3HD1 LEU 15 4.552 6.213 -5.604 92 HD21 LEU 15 1HD2 LEU 15 5.368 5.304 -2.246 93 HD22 LEU 15 2HD2 LEU 15 4.992 6.848 -1.444 94 HD23 LEU 15 3HD2 LEU 15 3.686 5.697 -1.816 95 H HIS 16 H HIS 16 4.412 7.627 -7.361 96 HA HIS 16 HA HIS 16 2.092 9.316 -7.116 97 HB2 HIS 16 1HB HIS 16 3.360 8.932 -9.262 98 HB3 HIS 16 2HB HIS 16 2.760 7.286 -9.262 99 HD1 HIS 16 1HD HIS 16 0.657 6.949 -10.561 100 HD2 HIS 16 2HD HIS 16 1.026 10.886 -9.163 101 HE1 HIS 16 1HE HIS 16 -1.344 8.229 -11.493 102 H TYR 17 H TYR 17 -0.075 8.579 -6.894 103 HA TYR 17 HA TYR 17 -0.586 5.773 -6.596 104 HB2 TYR 17 1HB TYR 17 -1.431 6.272 -4.171 105 HB3 TYR 17 2HB TYR 17 0.309 6.204 -4.365 106 HD1 TYR 17 1HD TYR 17 -2.579 8.440 -3.844 107 HD2 TYR 17 2HD TYR 17 1.684 8.189 -4.117 108 HE1 TYR 17 1HE TYR 17 -2.371 10.776 -2.861 109 HE2 TYR 17 2HE TYR 17 1.877 10.525 -3.132 110 HH TYR 17 HH TYR 17 -0.690 12.626 -2.961 111 H CYS 18 H CYS 18 -2.777 5.303 -6.855 112 HA CYS 18 HA CYS 18 -4.460 7.671 -7.233 113 HB2 CYS 18 1HB CYS 18 -4.256 6.638 -9.342 114 HB3 CYS 18 2HB CYS 18 -4.382 5.021 -8.677 115 HG CYS 18 HG CYS 18 -6.532 6.690 -9.992 116 H LEU 19 H LEU 19 -5.765 7.921 -5.447 117 HA LEU 19 HA LEU 19 -6.428 5.602 -3.860 118 HB2 LEU 19 1HB LEU 19 -7.242 8.481 -3.466 119 HB3 LEU 19 2HB LEU 19 -7.323 7.183 -2.291 120 HG LEU 19 HG LEU 19 -5.433 8.224 -1.570 121 HD11 LEU 19 1HD1 LEU 19 -4.396 6.353 -3.713 122 HD12 LEU 19 2HD1 LEU 19 -3.392 7.070 -2.430 123 HD13 LEU 19 3HD1 LEU 19 -4.731 5.976 -2.006 124 HD21 LEU 19 1HD2 LEU 19 -4.459 8.859 -4.356 125 HD22 LEU 19 2HD2 LEU 19 -5.590 9.911 -3.472 126 HD23 LEU 19 3HD2 LEU 19 -3.970 9.589 -2.809 127 H ASP 20 H ASP 20 -8.256 4.419 -4.055 128 HA ASP 20 HA ASP 20 -10.600 5.721 -5.074 129 HB2 ASP 20 1HB ASP 20 -9.611 4.920 -7.152 130 HB3 ASP 20 2HB ASP 20 -9.250 3.358 -6.446 131 H TYR 21 H TYR 21 -12.119 5.090 -3.535 132 HA TYR 21 HA TYR 21 -11.734 2.512 -2.215 133 HB2 TYR 21 1HB TYR 21 -12.040 4.799 -1.028 134 HB3 TYR 21 2HB TYR 21 -13.646 4.880 -1.727 135 HD1 TYR 21 1HD TYR 21 -11.510 3.058 0.691 136 HD2 TYR 21 2HD TYR 21 -15.481 3.642 -0.790 137 HE1 TYR 21 1HE TYR 21 -12.447 1.780 2.679 138 HE2 TYR 21 2HE TYR 21 -16.405 2.362 1.203 139 HH TYR 21 HH TYR 21 -14.941 0.358 2.891 140 H ASP 22 H ASP 22 -12.813 0.789 -3.030 141 HA ASP 22 HA ASP 22 -15.159 1.313 -4.610 142 HB2 ASP 22 1HB ASP 22 -13.150 -0.425 -5.004 143 HB3 ASP 22 2HB ASP 22 -14.130 -1.459 -3.984 144 H CYS 23 H CYS 23 -16.671 1.910 -2.882 145 HA CYS 23 HA CYS 23 -17.041 0.787 -0.492 146 HB2 CYS 23 1HB CYS 23 -19.270 1.591 -0.517 147 HB3 CYS 23 2HB CYS 23 -18.353 2.682 -1.537 148 HG CYS 23 HG CYS 23 -20.251 0.109 -2.400 149 H GLN 24 H GLN 24 -17.946 -0.535 -3.705 150 HA GLN 24 HA GLN 24 -19.582 -2.564 -2.898 151 HB2 GLN 24 1HB GLN 24 -17.556 -2.827 -5.151 152 HB3 GLN 24 2HB GLN 24 -19.139 -3.571 -5.044 153 HG2 GLN 24 1HG GLN 24 -19.577 -0.764 -4.756 154 HG3 GLN 24 2HG GLN 24 -18.420 -0.935 -6.061 155 HE21 GLN 24 1HE2 GLN 24 -19.401 -0.865 -7.926 156 HE22 GLN 24 2HE2 GLN 24 -20.873 -1.661 -8.373 157 H LYS 25 H LYS 25 -15.973 -2.516 -3.201 158 HA LYS 25 HA LYS 25 -15.846 -5.191 -2.096 159 HB2 LYS 25 1HB LYS 25 -13.472 -3.458 -2.748 160 HB3 LYS 25 2HB LYS 25 -13.602 -5.205 -2.759 161 HG2 LYS 25 1HG LYS 25 -15.482 -4.698 -4.624 162 HG3 LYS 25 2HG LYS 25 -14.566 -3.215 -4.809 163 HD2 LYS 25 1HD LYS 25 -12.805 -4.282 -5.806 164 HD3 LYS 25 2HD LYS 25 -12.827 -5.600 -4.651 165 HE2 LYS 25 1HE LYS 25 -15.198 -5.960 -6.144 166 HE3 LYS 25 2HE LYS 25 -14.016 -5.463 -7.338 167 HZ1 LYS 25 1HZ LYS 25 -12.959 -7.379 -7.128 168 HZ2 LYS 25 2HZ LYS 25 -12.977 -7.356 -5.495 169 HZ3 LYS 25 3HZ LYS 25 -14.263 -7.937 -6.317 170 H ALA 26 H ALA 26 -15.611 -1.814 -1.121 171 HA ALA 26 HA ALA 26 -15.404 -0.879 0.874 172 HB1 ALA 26 1HB ALA 26 -16.591 -3.376 1.394 173 HB2 ALA 26 2HB ALA 26 -15.279 -3.233 2.588 174 HB3 ALA 26 3HB ALA 26 -16.531 -1.972 2.487 175 H GLU 27 H GLU 27 -13.105 -1.443 -0.712 176 HA GLU 27 HA GLU 27 -11.170 -1.575 1.436 177 HB2 GLU 27 1HB GLU 27 -10.941 -3.183 -1.146 178 HB3 GLU 27 2HB GLU 27 -9.671 -3.026 0.051 179 HG2 GLU 27 1HG GLU 27 -11.908 -3.809 1.567 180 HG3 GLU 27 2HG GLU 27 -12.073 -4.735 0.089 181 H LEU 28 H LEU 28 -9.468 -0.108 1.185 182 HA LEU 28 HA LEU 28 -9.820 1.826 -0.896 183 HB2 LEU 28 1HB LEU 28 -9.257 2.321 1.495 184 HB3 LEU 28 2HB LEU 28 -7.666 1.643 1.212 185 HG LEU 28 HG LEU 28 -7.793 4.142 1.133 186 HD11 LEU 28 1HD1 LEU 28 -6.808 3.814 -1.517 187 HD12 LEU 28 2HD1 LEU 28 -5.897 3.935 0.007 188 HD13 LEU 28 3HD1 LEU 28 -6.415 2.342 -0.597 189 HD21 LEU 28 1HD2 LEU 28 -9.978 4.348 0.039 190 HD22 LEU 28 2HD2 LEU 28 -8.713 5.240 -0.840 191 HD23 LEU 28 3HD2 LEU 28 -9.293 3.675 -1.460 192 H PHE 29 H PHE 29 -8.424 2.288 -2.630 193 HA PHE 29 HA PHE 29 -6.391 0.223 -3.103 194 HB2 PHE 29 1HB PHE 29 -8.392 1.641 -4.959 195 HB3 PHE 29 2HB PHE 29 -7.064 0.679 -5.577 196 HD1 PHE 29 2HD PHE 29 -10.137 0.498 -3.513 197 HD2 PHE 29 1HD PHE 29 -7.252 -1.660 -5.755 198 HE1 PHE 29 2HE PHE 29 -11.559 -1.564 -3.356 199 HE2 PHE 29 1HE PHE 29 -8.674 -3.723 -5.598 200 HZ PHE 29 HZ PHE 29 -10.810 -3.650 -4.400 201 H VAL 30 H VAL 30 -4.425 0.904 -4.046 202 HA VAL 30 HA VAL 30 -4.194 3.792 -4.496 203 HB VAL 30 HB VAL 30 -2.329 2.029 -2.896 204 HG11 VAL 30 1HG1 VAL 30 -0.684 3.509 -3.199 205 HG12 VAL 30 2HG1 VAL 30 -1.679 4.264 -4.467 206 HG13 VAL 30 3HG1 VAL 30 -1.756 4.872 -2.796 207 HG21 VAL 30 1HG2 VAL 30 -3.414 4.505 -1.707 208 HG22 VAL 30 2HG2 VAL 30 -4.622 3.238 -2.028 209 HG23 VAL 30 3HG2 VAL 30 -3.211 2.883 -1.003 210 H THR 31 H THR 31 -4.601 2.854 -6.748 211 HA THR 31 HA THR 31 -2.444 1.297 -7.852 212 HB THR 31 HB THR 31 -3.841 1.651 -9.956 213 HG1 THR 31 1HG THR 31 -5.901 2.807 -9.428 214 HG21 THR 31 1HG2 THR 31 -6.068 0.735 -8.873 215 HG22 THR 31 2HG2 THR 31 -4.607 -0.277 -8.783 216 HG23 THR 31 3HG2 THR 31 -5.116 0.678 -7.371 217 H ARG 32 H ARG 32 -2.129 2.477 -10.386 218 HA ARG 32 HA ARG 32 -0.693 3.782 -11.356 219 HB2 ARG 32 1HB ARG 32 -1.967 5.972 -9.638 220 HB3 ARG 32 2HB ARG 32 -1.091 6.236 -11.133 221 HG2 ARG 32 1HG ARG 32 -3.487 4.371 -11.079 222 HG3 ARG 32 2HG ARG 32 -3.724 6.104 -11.187 223 HD2 ARG 32 1HD ARG 32 -2.193 6.142 -13.210 224 HD3 ARG 32 2HD ARG 32 -2.092 4.394 -13.127 225 HE ARG 32 HE ARG 32 -4.853 5.352 -13.171 226 HH11 ARG 32 2HH2 ARG 32 -2.080 4.527 -15.175 227 HH12 ARG 32 1HH2 ARG 32 -3.034 4.200 -16.583 228 HH21 ARG 32 2HH1 ARG 32 -6.111 4.920 -15.029 229 HH22 ARG 32 1HH1 ARG 32 -5.342 4.424 -16.499 230 H LEU 33 H LEU 33 0.834 2.501 -9.681 231 HA LEU 33 HA LEU 33 2.081 4.332 -7.802 232 HB2 LEU 33 1HB LEU 33 2.236 1.377 -8.314 233 HB3 LEU 33 2HB LEU 33 3.458 2.188 -7.354 234 HG LEU 33 HG LEU 33 0.497 2.297 -6.728 235 HD11 LEU 33 1HD1 LEU 33 0.624 0.193 -6.033 236 HD12 LEU 33 2HD1 LEU 33 2.372 0.126 -6.366 237 HD13 LEU 33 3HD1 LEU 33 1.788 0.728 -4.797 238 HD21 LEU 33 1HD2 LEU 33 2.419 3.984 -5.860 239 HD22 LEU 33 2HD2 LEU 33 0.989 3.527 -4.903 240 HD23 LEU 33 3HD2 LEU 33 2.544 2.705 -4.628 241 H GLU 34 H GLU 34 3.758 5.594 -8.383 242 HA GLU 34 HA GLU 34 5.673 4.506 -10.227 243 HB2 GLU 34 1HB GLU 34 3.838 6.790 -10.884 244 HB3 GLU 34 2HB GLU 34 5.510 6.946 -11.384 245 HG2 GLU 34 1HG GLU 34 5.092 5.599 -13.155 246 HG3 GLU 34 2HG GLU 34 4.744 4.279 -12.056 247 H ALA 35 H ALA 35 7.168 4.540 -8.487 248 HA ALA 35 HA ALA 35 7.498 6.856 -6.878 249 HB1 ALA 35 1HB ALA 35 9.141 4.336 -7.326 250 HB2 ALA 35 2HB ALA 35 9.556 5.583 -6.125 251 HB3 ALA 35 3HB ALA 35 8.026 4.683 -5.982 252 H VAL 36 H VAL 36 8.915 8.573 -7.087 253 HA VAL 36 HA VAL 36 10.581 8.529 -9.509 254 HB VAL 36 HB VAL 36 8.756 10.597 -8.354 255 HG11 VAL 36 1HG1 VAL 36 10.521 12.048 -8.372 256 HG12 VAL 36 2HG1 VAL 36 11.430 11.109 -9.580 257 HG13 VAL 36 3HG1 VAL 36 10.075 12.144 -10.093 258 HG21 VAL 36 1HG2 VAL 36 9.202 9.224 -10.955 259 HG22 VAL 36 2HG2 VAL 36 7.690 9.737 -10.168 260 HG23 VAL 36 3HG2 VAL 36 8.693 10.928 -11.030 261 H THR 37 H THR 37 12.287 7.581 -8.158 262 HA THR 37 HA THR 37 13.533 9.643 -6.463 263 HB THR 37 HB THR 37 14.223 7.829 -4.943 264 HG1 THR 37 1HG THR 37 13.392 5.644 -5.589 265 HG21 THR 37 1HG2 THR 37 11.279 7.731 -5.754 266 HG22 THR 37 2HG2 THR 37 11.922 6.752 -4.414 267 HG23 THR 37 3HG2 THR 37 11.991 8.529 -4.331 268 H SER 38 H SER 38 15.585 10.186 -6.939 269 HA SER 38 HA SER 38 16.702 9.727 -9.279 270 HB2 SER 38 1HB SER 38 18.334 9.821 -6.706 271 HB3 SER 38 2HB SER 38 18.861 10.335 -8.297 272 HG SER 38 HG SER 38 17.991 11.997 -6.638 273 H ASN 39 H ASN 39 18.464 8.321 -10.109 274 HA ASN 39 HA ASN 39 17.942 5.693 -9.867 275 HB2 ASN 39 1HB ASN 39 19.352 6.600 -11.668 276 HB3 ASN 39 2HB ASN 39 20.584 7.092 -10.523 277 HD21 ASN 39 1HD2 ASN 39 21.350 5.599 -12.582 278 HD22 ASN 39 2HD2 ASN 39 21.740 3.977 -12.118 279 H HIS 40 H HIS 40 20.666 7.557 -8.309 280 HA HIS 40 HA HIS 40 21.695 7.301 -6.379 281 HB2 HIS 40 1HB HIS 40 19.180 6.063 -5.879 282 HB3 HIS 40 2HB HIS 40 20.409 5.041 -5.161 283 HD1 HIS 40 1HD HIS 40 18.395 7.944 -4.435 284 HD2 HIS 40 2HD HIS 40 22.266 6.688 -3.421 285 HE1 HIS 40 1HE HIS 40 19.074 9.305 -2.387 286 H ASP 41 H ASP 41 23.310 5.849 -5.319 287 HA ASP 41 HA ASP 41 24.452 4.192 -7.299 288 HB2 ASP 41 1HB ASP 41 25.485 5.663 -5.283 289 HB3 ASP 41 2HB ASP 41 25.378 4.136 -4.430 290 H GLY 42 H GLY 42 22.582 3.816 -4.268 291 HA2 GLY 42 1HA GLY 42 23.075 1.031 -3.906 292 HA3 GLY 42 2HA GLY 42 21.841 2.008 -3.137 293 H GLY 43 H GLY 43 22.534 -0.335 -5.605 294 HA2 GLY 43 1HA GLY 43 19.862 0.017 -6.806 295 HA3 GLY 43 2HA GLY 43 21.227 -0.803 -7.539 296 H CYS 44 H CYS 44 18.489 -1.079 -5.358 297 HA CYS 44 HA CYS 44 19.042 -3.940 -5.179 298 HB2 CYS 44 1HB CYS 44 18.511 -2.056 -2.907 299 HB3 CYS 44 2HB CYS 44 17.844 -3.674 -2.824 300 HG CYS 44 HG CYS 44 20.979 -2.821 -3.483 301 H ASP 45 H ASP 45 16.688 -4.754 -3.943 302 HA ASP 45 HA ASP 45 14.795 -4.046 -5.979 303 HB2 ASP 45 1HB ASP 45 15.386 -6.362 -4.436 304 HB3 ASP 45 2HB ASP 45 13.798 -5.851 -3.900 305 H CYS 46 H CYS 46 13.351 -2.364 -5.581 306 HA CYS 46 HA CYS 46 12.663 -1.865 -2.776 307 HB2 CYS 46 1HB CYS 46 12.132 0.480 -3.569 308 HB3 CYS 46 2HB CYS 46 13.829 0.042 -3.565 309 HG CYS 46 HG CYS 46 13.791 1.240 -5.715 310 H TYR 47 H TYR 47 10.373 -1.206 -2.400 311 HA TYR 47 HA TYR 47 8.530 -1.649 -4.584 312 HB2 TYR 47 1HB TYR 47 7.352 -3.410 -3.137 313 HB3 TYR 47 2HB TYR 47 8.928 -3.935 -3.697 314 HD1 TYR 47 2HD TYR 47 10.937 -3.548 -2.065 315 HD2 TYR 47 1HD TYR 47 6.834 -3.494 -0.854 316 HE1 TYR 47 2HE TYR 47 11.633 -3.997 0.339 317 HE2 TYR 47 1HE TYR 47 7.543 -3.943 1.545 318 HH TYR 47 HH TYR 47 10.469 -3.431 2.684 319 H VAL 48 H VAL 48 6.277 -1.076 -3.971 320 HA VAL 48 HA VAL 48 6.350 1.031 -1.968 321 HB VAL 48 HB VAL 48 4.200 0.301 -3.963 322 HG11 VAL 48 1HG1 VAL 48 4.195 3.061 -3.387 323 HG12 VAL 48 2HG1 VAL 48 2.994 1.843 -2.893 324 HG13 VAL 48 3HG1 VAL 48 4.359 2.234 -1.819 325 HG21 VAL 48 1HG2 VAL 48 6.763 1.212 -4.561 326 HG22 VAL 48 2HG2 VAL 48 5.329 1.313 -5.610 327 HG23 VAL 48 3HG2 VAL 48 5.767 2.688 -4.569 328 H GLN 49 H GLN 49 5.076 1.055 -0.107 329 HA GLN 49 HA GLN 49 3.406 -1.291 0.282 330 HB2 GLN 49 1HB GLN 49 5.652 -1.650 1.370 331 HB3 GLN 49 2HB GLN 49 5.375 -0.228 2.356 332 HG2 GLN 49 1HG GLN 49 3.109 -1.440 3.009 333 HG3 GLN 49 2HG GLN 49 3.911 -2.883 2.418 334 HE21 GLN 49 1HE2 GLN 49 3.305 -1.059 5.069 335 HE22 GLN 49 2HE2 GLN 49 4.611 -1.518 6.110 336 H GLY 50 H GLY 50 1.381 -0.718 0.958 337 HA2 GLY 50 1HA GLY 50 1.076 1.977 2.140 338 HA3 GLY 50 2HA GLY 50 -0.094 1.203 1.090 339 H SER 51 H SER 51 0.033 2.155 4.103 340 HA SER 51 HA SER 51 -1.164 -0.306 5.109 341 HB2 SER 51 1HB SER 51 1.128 0.394 6.120 342 HB3 SER 51 2HB SER 51 0.261 1.717 6.874 343 HG SER 51 HG SER 51 -1.217 0.020 7.777 344 H VAL 52 H VAL 52 -3.040 -0.013 6.497 345 HA VAL 52 HA VAL 52 -4.077 2.733 6.512 346 HB VAL 52 HB VAL 52 -5.131 0.342 5.228 347 HG11 VAL 52 1HG1 VAL 52 -6.458 0.222 7.317 348 HG12 VAL 52 2HG1 VAL 52 -7.024 1.886 7.033 349 HG13 VAL 52 3HG1 VAL 52 -7.460 0.591 5.892 350 HG21 VAL 52 1HG2 VAL 52 -4.753 2.562 4.159 351 HG22 VAL 52 2HG2 VAL 52 -6.416 1.958 3.965 352 HG23 VAL 52 3HG2 VAL 52 -6.066 3.230 5.160 353 H ALA 53 H ALA 53 -5.527 3.214 8.304 354 HA ALA 53 HA ALA 53 -5.380 1.234 10.465 355 HB1 ALA 53 1HB ALA 53 -4.553 4.144 10.461 356 HB2 ALA 53 2HB ALA 53 -5.102 3.353 11.959 357 HB3 ALA 53 3HB ALA 53 -3.678 2.729 11.094 358 H ASN 54 H ASN 54 -7.449 0.635 10.865 359 HA ASN 54 HA ASN 54 -9.471 2.698 10.516 360 HB2 ASN 54 1HB ASN 54 -10.881 0.337 10.808 361 HB3 ASN 54 2HB ASN 54 -10.398 1.002 9.260 362 HD21 ASN 54 1HD2 ASN 54 -10.022 -0.804 8.142 363 HD22 ASN 54 2HD2 ASN 54 -8.819 -1.993 8.513 364 H ARG 55 H ARG 55 -11.544 1.873 12.078 365 HA ARG 55 HA ARG 55 -10.485 2.198 14.688 366 HB2 ARG 55 1HB ARG 55 -12.992 2.648 13.349 367 HB3 ARG 55 2HB ARG 55 -13.324 1.577 14.695 368 HG2 ARG 55 1HG ARG 55 -12.235 3.143 16.266 369 HG3 ARG 55 2HG ARG 55 -11.753 4.185 14.942 370 HD2 ARG 55 1HD ARG 55 -13.867 5.086 14.695 371 HD3 ARG 55 2HD ARG 55 -14.674 3.570 15.043 372 HE ARG 55 HE ARG 55 -14.001 5.648 16.962 373 HH11 ARG 55 2HH2 ARG 55 -14.469 2.178 16.612 374 HH12 ARG 55 1HH2 ARG 55 -14.880 1.936 18.277 375 HH21 ARG 55 2HH1 ARG 55 -14.543 5.330 19.159 376 HH22 ARG 55 1HH1 ARG 55 -14.923 3.741 19.735 377 H THR 56 H THR 56 -10.546 -0.450 12.785 378 HA THR 56 HA THR 56 -11.374 -2.259 14.960 379 HB THR 56 HB THR 56 -11.890 -3.864 13.149 380 HG1 THR 56 1HG THR 56 -11.172 -1.636 11.396 381 HG21 THR 56 1HG2 THR 56 -13.292 -2.047 11.613 382 HG22 THR 56 2HG2 THR 56 -13.888 -2.697 13.158 383 HG23 THR 56 3HG2 THR 56 -13.069 -1.117 13.114 384 H GLY 57 H GLY 57 -8.765 -1.083 12.960 385 HA2 GLY 57 1HA GLY 57 -6.732 -2.109 14.446 386 HA3 GLY 57 2HA GLY 57 -7.085 -3.393 13.307 387 H SER 58 H SER 58 -5.542 -3.332 11.722 388 HA SER 58 HA SER 58 -5.419 -0.959 10.141 389 HB2 SER 58 1HB SER 58 -2.848 -0.945 10.260 390 HB3 SER 58 2HB SER 58 -3.703 -0.276 11.636 391 HG SER 58 HG SER 58 -1.897 -1.819 12.116 392 H VAL 59 H VAL 59 -3.972 -1.380 8.134 393 HA VAL 59 HA VAL 59 -3.636 -4.237 7.632 394 HB VAL 59 HB VAL 59 -4.668 -3.818 5.352 395 HG11 VAL 59 1HG1 VAL 59 -5.932 -4.323 7.931 396 HG12 VAL 59 2HG1 VAL 59 -7.075 -3.636 6.752 397 HG13 VAL 59 3HG1 VAL 59 -6.179 -5.124 6.361 398 HG21 VAL 59 1HG2 VAL 59 -4.996 -1.596 4.979 399 HG22 VAL 59 2HG2 VAL 59 -6.573 -1.956 5.722 400 HG23 VAL 59 3HG2 VAL 59 -5.274 -1.232 6.699 401 H GLU 60 H GLU 60 -2.455 -4.485 5.386 402 HA GLU 60 HA GLU 60 -0.855 -2.214 4.724 403 HB2 GLU 60 1HB GLU 60 0.268 -4.581 6.229 404 HB3 GLU 60 2HB GLU 60 1.275 -3.771 5.046 405 HG2 GLU 60 1HG GLU 60 0.802 -1.573 6.217 406 HG3 GLU 60 2HG GLU 60 -0.091 -2.454 7.440 407 H ALA 61 H ALA 61 -0.062 -2.353 2.595 408 HA ALA 61 HA ALA 61 -0.250 -4.951 1.283 409 HB1 ALA 61 1HB ALA 61 -2.029 -2.621 0.859 410 HB2 ALA 61 2HB ALA 61 -1.316 -3.291 -0.628 411 HB3 ALA 61 3HB ALA 61 -2.272 -4.336 0.451 412 H GLN 62 H GLN 62 0.755 -4.773 -1.003 413 HA GLN 62 HA GLN 62 2.451 -2.561 -1.443 414 HB2 GLN 62 1HB GLN 62 4.595 -3.992 -1.349 415 HB3 GLN 62 2HB GLN 62 3.930 -3.455 0.182 416 HG2 GLN 62 1HG GLN 62 3.997 -5.645 0.806 417 HG3 GLN 62 2HG GLN 62 2.582 -5.856 -0.207 418 HE21 GLN 62 1HE2 GLN 62 2.700 -7.442 -1.583 419 HE22 GLN 62 2HE2 GLN 62 4.115 -8.060 -2.367 420 H THR 63 H THR 63 4.143 -3.308 -3.336 421 HA THR 63 HA THR 63 2.547 -4.984 -5.162 422 HB THR 63 HB THR 63 3.526 -3.488 -6.947 423 HG1 THR 63 1HG THR 63 5.416 -2.800 -5.792 424 HG21 THR 63 1HG2 THR 63 1.417 -2.839 -5.292 425 HG22 THR 63 2HG2 THR 63 2.513 -1.470 -4.986 426 HG23 THR 63 3HG2 THR 63 1.957 -1.813 -6.642 427 H ALA 64 H ALA 64 4.152 -5.627 -7.134 428 HA ALA 64 HA ALA 64 5.970 -7.432 -5.885 429 HB1 ALA 64 1HB ALA 64 4.676 -8.099 -7.833 430 HB2 ALA 64 2HB ALA 64 5.354 -6.760 -8.790 431 HB3 ALA 64 3HB ALA 64 6.403 -8.099 -8.264 432 H LEU 65 H LEU 65 8.200 -7.333 -5.736 433 HA LEU 65 HA LEU 65 9.436 -4.893 -5.645 434 HB2 LEU 65 1HB LEU 65 10.267 -7.725 -5.668 435 HB3 LEU 65 2HB LEU 65 11.511 -6.578 -6.123 436 HG LEU 65 HG LEU 65 11.513 -7.176 -3.713 437 HD11 LEU 65 1HD1 LEU 65 10.853 -4.251 -3.909 438 HD12 LEU 65 2HD1 LEU 65 12.133 -5.070 -2.982 439 HD13 LEU 65 3HD1 LEU 65 12.274 -4.917 -4.749 440 HD21 LEU 65 1HD2 LEU 65 9.516 -7.405 -2.738 441 HD22 LEU 65 2HD2 LEU 65 9.548 -5.635 -2.559 442 HD23 LEU 65 3HD2 LEU 65 8.704 -6.375 -3.940 443 H LYS 66 H LYS 66 10.886 -3.746 -7.027 444 HA LYS 66 HA LYS 66 10.953 -4.655 -9.797 445 HB2 LYS 66 1HB LYS 66 9.707 -2.097 -8.810 446 HB3 LYS 66 2HB LYS 66 10.448 -2.166 -10.395 447 HG2 LYS 66 1HG LYS 66 8.779 -4.523 -9.999 448 HG3 LYS 66 2HG LYS 66 7.848 -3.080 -9.650 449 HD2 LYS 66 1HD LYS 66 8.758 -2.125 -11.879 450 HD3 LYS 66 2HD LYS 66 9.336 -3.743 -12.225 451 HE2 LYS 66 1HE LYS 66 7.090 -4.659 -12.179 452 HE3 LYS 66 2HE LYS 66 6.431 -3.193 -11.482 453 HZ1 LYS 66 1HZ LYS 66 7.823 -2.890 -13.987 454 HZ2 LYS 66 2HZ LYS 66 6.399 -3.688 -14.051 455 HZ3 LYS 66 3HZ LYS 66 6.456 -2.167 -13.460 456 H LYS 67 H LYS 67 12.671 -3.570 -11.059 457 HA LYS 67 HA LYS 67 14.985 -3.246 -9.431 458 HB2 LYS 67 1HB LYS 67 15.413 -4.355 -11.420 459 HB3 LYS 67 2HB LYS 67 14.387 -3.300 -12.370 460 HG2 LYS 67 1HG LYS 67 16.069 -1.796 -12.739 461 HG3 LYS 67 2HG LYS 67 16.595 -1.834 -11.068 462 HD2 LYS 67 1HD LYS 67 18.381 -2.715 -12.507 463 HD3 LYS 67 2HD LYS 67 17.775 -3.997 -11.479 464 HE2 LYS 67 1HE LYS 67 16.164 -4.549 -13.485 465 HE3 LYS 67 2HE LYS 67 17.250 -3.560 -14.440 466 HZ1 LYS 67 1HZ LYS 67 17.699 -6.050 -14.195 467 HZ2 LYS 67 2HZ LYS 67 18.963 -5.018 -14.116 468 HZ3 LYS 67 3HZ LYS 67 18.347 -5.661 -12.747 469 H ARG 68 H ARG 68 15.614 -1.423 -8.420 470 HA ARG 68 HA ARG 68 14.301 0.866 -8.371 471 HB2 ARG 68 1HB ARG 68 16.585 0.014 -7.220 472 HB3 ARG 68 2HB ARG 68 17.318 1.072 -8.409 473 HG2 ARG 68 1HG ARG 68 16.651 2.959 -7.310 474 HG3 ARG 68 2HG ARG 68 15.024 2.353 -7.073 475 HD2 ARG 68 1HD ARG 68 16.079 0.800 -5.242 476 HD3 ARG 68 2HD ARG 68 17.476 1.854 -5.341 477 HE ARG 68 HE ARG 68 14.861 2.520 -4.196 478 HH11 ARG 68 2HH2 ARG 68 17.829 3.826 -5.562 479 HH12 ARG 68 1HH2 ARG 68 17.659 5.366 -4.787 480 HH21 ARG 68 2HH1 ARG 68 14.636 4.551 -3.173 481 HH22 ARG 68 1HH1 ARG 68 15.831 5.781 -3.419 482 H GLN 69 H GLN 69 13.965 2.663 -9.687 483 HA GLN 69 HA GLN 69 15.838 3.129 -11.825 484 HB2 GLN 69 1HB GLN 69 12.932 2.381 -12.242 485 HB3 GLN 69 2HB GLN 69 13.745 3.421 -13.394 486 HG2 GLN 69 1HG GLN 69 14.768 0.673 -12.537 487 HG3 GLN 69 2HG GLN 69 13.851 0.972 -14.000 488 HE21 GLN 69 1HE2 GLN 69 16.596 -0.011 -13.543 489 HE22 GLN 69 2HE2 GLN 69 17.653 1.011 -14.459 490 H LEU 70 H LEU 70 15.285 5.288 -12.974 491 HA LEU 70 HA LEU 70 14.938 7.248 -10.995 492 HB2 LEU 70 1HB LEU 70 15.893 7.084 -13.614 493 HB3 LEU 70 2HB LEU 70 14.535 8.188 -13.709 494 HG LEU 70 HG LEU 70 16.329 8.741 -11.446 495 HD11 LEU 70 1HD1 LEU 70 17.885 7.849 -13.263 496 HD12 LEU 70 2HD1 LEU 70 17.446 9.303 -14.192 497 HD13 LEU 70 3HD1 LEU 70 18.237 9.465 -12.606 498 HD21 LEU 70 1HD2 LEU 70 15.092 10.581 -11.695 499 HD22 LEU 70 2HD2 LEU 70 16.175 10.984 -13.048 500 HD23 LEU 70 3HD2 LEU 70 14.631 10.155 -13.360 501 H HIS 71 H HIS 71 12.694 5.318 -12.774 502 HA HIS 71 HA HIS 71 10.529 6.667 -11.527 503 HB2 HIS 71 1HB HIS 71 11.016 8.097 -13.557 504 HB3 HIS 71 2HB HIS 71 10.572 6.725 -14.553 505 HD1 HIS 71 1HD HIS 71 8.560 8.124 -15.522 506 HD2 HIS 71 2HD HIS 71 8.347 7.348 -11.405 507 HE1 HIS 71 1HE HIS 71 6.171 8.672 -14.813 508 H THR 72 H THR 72 10.543 4.466 -10.623 509 HA THR 72 HA THR 72 10.063 2.262 -12.389 510 HB THR 72 HB THR 72 9.908 2.606 -9.348 511 HG1 THR 72 1HG THR 72 12.081 1.799 -9.576 512 HG21 THR 72 1HG2 THR 72 10.196 0.076 -11.052 513 HG22 THR 72 2HG2 THR 72 10.187 0.154 -9.273 514 HG23 THR 72 3HG2 THR 72 8.709 0.536 -10.189 515 H THR 73 H THR 73 8.150 0.950 -12.492 516 HA THR 73 HA THR 73 5.708 2.268 -11.574 517 HB THR 73 HB THR 73 4.744 2.058 -13.872 518 HG1 THR 73 1HG THR 73 5.959 0.462 -14.882 519 HG21 THR 73 1HG2 THR 73 7.375 3.364 -14.488 520 HG22 THR 73 2HG2 THR 73 5.724 3.980 -14.737 521 HG23 THR 73 3HG2 THR 73 6.466 4.052 -13.121 522 H TRP 74 H TRP 74 3.842 0.851 -11.508 523 HA TRP 74 HA TRP 74 4.638 -1.980 -11.532 524 HB2 TRP 74 1HB TRP 74 3.036 -0.474 -9.466 525 HB3 TRP 74 2HB TRP 74 3.001 -2.220 -9.611 526 HD1 TRP 74 HD TRP 74 5.200 -3.555 -8.759 527 HE1 TRP 74 1HE TRP 74 7.310 -2.945 -7.296 528 HE3 TRP 74 3HE TRP 74 4.593 1.485 -9.043 529 HZ2 TRP 74 2HZ TRP 74 8.462 -0.478 -6.440 530 HZ3 TRP 74 3HZ TRP 74 6.255 2.923 -7.865 531 HH2 TRP 74 HH TRP 74 8.138 2.018 -6.597 532 H GLU 75 H GLU 75 2.884 -3.456 -12.115 533 HA GLU 75 HA GLU 75 0.932 -2.088 -13.767 534 HB2 GLU 75 1HB GLU 75 2.546 -3.986 -14.588 535 HB3 GLU 75 2HB GLU 75 1.447 -5.077 -13.769 536 HG2 GLU 75 1HG GLU 75 -0.463 -3.982 -15.095 537 HG3 GLU 75 2HG GLU 75 0.762 -3.143 -16.027 538 H GLU 76 H GLU 76 0.594 -2.079 -10.886 539 HA GLU 76 HA GLU 76 -2.030 -3.097 -10.809 540 HB2 GLU 76 1HB GLU 76 -1.828 -4.784 -9.117 541 HB3 GLU 76 2HB GLU 76 -0.641 -5.180 -10.343 542 HG2 GLU 76 1HG GLU 76 1.051 -3.817 -8.906 543 HG3 GLU 76 2HG GLU 76 -0.155 -3.875 -7.636 544 H GLY 77 H GLY 77 -2.621 -3.027 -8.120 545 HA2 GLY 77 1HA GLY 77 -1.362 -0.599 -7.043 546 HA3 GLY 77 2HA GLY 77 -3.091 -0.607 -7.328 547 H LEU 78 H LEU 78 -2.118 -0.210 -4.737 548 HA LEU 78 HA LEU 78 -2.042 -2.709 -3.344 549 HB2 LEU 78 1HB LEU 78 -2.299 0.108 -2.284 550 HB3 LEU 78 2HB LEU 78 -1.900 -1.324 -1.355 551 HG LEU 78 HG LEU 78 -0.214 0.138 -3.379 552 HD11 LEU 78 1HD1 LEU 78 1.120 -0.738 -0.978 553 HD12 LEU 78 2HD1 LEU 78 0.863 0.910 -1.600 554 HD13 LEU 78 3HD1 LEU 78 -0.371 0.144 -0.570 555 HD21 LEU 78 1HD2 LEU 78 0.010 -2.135 -4.074 556 HD22 LEU 78 2HD2 LEU 78 1.463 -1.710 -3.137 557 HD23 LEU 78 3HD2 LEU 78 0.181 -2.697 -2.393 558 H VAL 79 H VAL 79 -3.610 -2.967 -1.372 559 HA VAL 79 HA VAL 79 -6.254 -1.942 -1.872 560 HB VAL 79 HB VAL 79 -5.686 -4.906 -2.074 561 HG11 VAL 79 1HG1 VAL 79 -8.221 -4.665 -2.913 562 HG12 VAL 79 2HG1 VAL 79 -7.795 -4.933 -1.205 563 HG13 VAL 79 3HG1 VAL 79 -8.176 -3.292 -1.781 564 HG21 VAL 79 1HG2 VAL 79 -6.453 -2.873 -4.191 565 HG22 VAL 79 2HG2 VAL 79 -4.972 -3.857 -4.114 566 HG23 VAL 79 3HG2 VAL 79 -6.544 -4.636 -4.419 567 H LEU 80 H LEU 80 -6.737 -1.223 0.138 568 HA LEU 80 HA LEU 80 -6.004 -2.992 2.367 569 HB2 LEU 80 1HB LEU 80 -6.019 0.004 2.120 570 HB3 LEU 80 2HB LEU 80 -6.137 -0.780 3.683 571 HG LEU 80 HG LEU 80 -3.899 -0.568 3.666 572 HD11 LEU 80 1HD1 LEU 80 -3.958 -2.908 1.748 573 HD12 LEU 80 2HD1 LEU 80 -2.728 -2.530 2.978 574 HD13 LEU 80 3HD1 LEU 80 -4.363 -3.026 3.477 575 HD21 LEU 80 1HD2 LEU 80 -2.641 0.207 1.943 576 HD22 LEU 80 2HD2 LEU 80 -3.394 -0.878 0.750 577 HD23 LEU 80 3HD2 LEU 80 -4.250 0.588 1.285 578 HA PRO 81 HA PRO 81 -10.297 -3.238 2.936 579 HB2 PRO 81 1HB PRO 81 -10.310 -4.718 5.234 580 HB3 PRO 81 2HB PRO 81 -10.145 -5.426 3.639 581 HG2 PRO 81 1HG PRO 81 -8.074 -5.013 5.707 582 HG3 PRO 81 2HG PRO 81 -8.038 -6.076 4.314 583 HD2 PRO 81 1HD PRO 81 -6.694 -3.557 4.586 584 HD3 PRO 81 2HD PRO 81 -6.753 -4.564 3.153 585 H LEU 82 H LEU 82 -11.676 -1.684 3.492 586 HA LEU 82 HA LEU 82 -11.494 -0.731 6.209 587 HB2 LEU 82 1HB LEU 82 -9.869 0.696 5.218 588 HB3 LEU 82 2HB LEU 82 -10.895 1.030 3.837 589 HG LEU 82 HG LEU 82 -12.526 2.100 5.519 590 HD11 LEU 82 1HD1 LEU 82 -11.607 1.215 7.571 591 HD12 LEU 82 2HD1 LEU 82 -10.035 1.982 7.241 592 HD13 LEU 82 3HD1 LEU 82 -11.465 2.989 7.571 593 HD21 LEU 82 1HD2 LEU 82 -11.766 3.997 4.655 594 HD22 LEU 82 2HD2 LEU 82 -10.277 3.908 5.625 595 HD23 LEU 82 3HD2 LEU 82 -10.358 3.098 4.042 596 H ALA 83 H ALA 83 -13.463 0.195 6.932 597 HA ALA 83 HA ALA 83 -15.689 -0.436 5.168 598 HB1 ALA 83 1HB ALA 83 -15.141 -0.526 8.008 599 HB2 ALA 83 2HB ALA 83 -16.580 0.476 7.703 600 HB3 ALA 83 3HB ALA 83 -16.521 -1.201 7.109 601 H GLU 84 H GLU 84 -17.164 1.090 4.406 602 HA GLU 84 HA GLU 84 -16.237 3.604 3.925 603 HB2 GLU 84 1HB GLU 84 -18.177 2.303 2.822 604 HB3 GLU 84 2HB GLU 84 -19.192 2.906 4.118 605 HG2 GLU 84 1HG GLU 84 -17.979 5.243 3.337 606 HG3 GLU 84 2HG GLU 84 -17.979 4.377 1.813 607 H GLU 85 H GLU 85 -17.581 2.295 6.851 608 HA GLU 85 HA GLU 85 -18.461 4.846 7.812 609 HB2 GLU 85 1HB GLU 85 -19.310 3.673 9.684 610 HB3 GLU 85 2HB GLU 85 -19.512 2.546 8.357 611 HG2 GLU 85 1HG GLU 85 -16.987 1.855 9.163 612 HG3 GLU 85 2HG GLU 85 -17.637 2.421 10.689 613 H GLU 86 H GLU 86 -15.514 3.044 7.618 614 HA GLU 86 HA GLU 86 -14.418 4.561 9.849 615 HB2 GLU 86 1HB GLU 86 -13.091 2.229 8.414 616 HB3 GLU 86 2HB GLU 86 -12.653 2.914 9.966 617 HG2 GLU 86 1HG GLU 86 -15.192 2.281 10.580 618 HG3 GLU 86 2HG GLU 86 -14.992 1.140 9.266 619 H LEU 87 H LEU 87 -15.002 5.206 6.790 620 HA LEU 87 HA LEU 87 -12.482 5.600 5.611 621 HB2 LEU 87 1HB LEU 87 -15.284 6.460 5.103 622 HB3 LEU 87 2HB LEU 87 -14.005 7.372 4.324 623 HG LEU 87 HG LEU 87 -14.314 4.367 4.094 624 HD11 LEU 87 1HD1 LEU 87 -14.965 6.168 1.811 625 HD12 LEU 87 2HD1 LEU 87 -15.620 4.571 2.243 626 HD13 LEU 87 3HD1 LEU 87 -16.160 6.021 3.122 627 HD21 LEU 87 1HD2 LEU 87 -12.059 5.721 3.677 628 HD22 LEU 87 2HD2 LEU 87 -12.548 4.344 2.661 629 HD23 LEU 87 3HD2 LEU 87 -12.831 6.009 2.099 630 HA PRO 88 HA PRO 88 -12.884 9.942 7.434 631 HB2 PRO 88 1HB PRO 88 -14.820 10.481 9.287 632 HB3 PRO 88 2HB PRO 88 -15.003 10.832 7.580 633 HG2 PRO 88 1HG PRO 88 -16.219 8.653 9.164 634 HG3 PRO 88 2HG PRO 88 -16.703 9.274 7.599 635 HD2 PRO 88 1HD PRO 88 -15.276 6.839 8.113 636 HD3 PRO 88 2HD PRO 88 -15.659 7.518 6.544 637 H THR 89 H THR 89 -13.051 7.086 9.162 638 HA THR 89 HA THR 89 -11.429 8.319 11.292 639 HB THR 89 HB THR 89 -12.486 6.851 12.844 640 HG1 THR 89 1HG THR 89 -12.480 4.835 11.870 641 HG21 THR 89 1HG2 THR 89 -14.187 8.395 11.239 642 HG22 THR 89 2HG2 THR 89 -14.902 6.768 11.131 643 HG23 THR 89 3HG2 THR 89 -14.675 7.537 12.721 644 H ALA 90 H ALA 90 -10.470 7.459 8.661 645 HA ALA 90 HA ALA 90 -8.543 5.518 9.658 646 HB1 ALA 90 1HB ALA 90 -8.776 4.227 7.503 647 HB2 ALA 90 2HB ALA 90 -10.183 4.100 8.586 648 HB3 ALA 90 3HB ALA 90 -10.248 5.167 7.163 649 H THR 91 H THR 91 -6.616 5.394 8.127 650 HA THR 91 HA THR 91 -6.368 7.630 6.305 651 HB THR 91 HB THR 91 -4.328 7.439 8.540 652 HG1 THR 91 1HG THR 91 -6.078 7.897 9.836 653 HG21 THR 91 1HG2 THR 91 -5.515 9.700 6.848 654 HG22 THR 91 2HG2 THR 91 -4.361 9.951 8.180 655 HG23 THR 91 3HG2 THR 91 -3.863 9.047 6.729 656 H LEU 92 H LEU 92 -4.886 7.276 4.690 657 HA LEU 92 HA LEU 92 -3.671 4.616 4.778 658 HB2 LEU 92 1HB LEU 92 -5.105 4.798 2.945 659 HB3 LEU 92 2HB LEU 92 -4.588 6.429 2.569 660 HG LEU 92 HG LEU 92 -3.828 4.353 1.122 661 HD11 LEU 92 1HD1 LEU 92 -3.272 6.687 0.659 662 HD12 LEU 92 2HD1 LEU 92 -1.956 6.622 1.856 663 HD13 LEU 92 3HD1 LEU 92 -1.871 5.623 0.385 664 HD21 LEU 92 1HD2 LEU 92 -2.703 3.529 3.431 665 HD22 LEU 92 2HD2 LEU 92 -2.087 3.098 1.818 666 HD23 LEU 92 3HD2 LEU 92 -1.340 4.432 2.728 667 H THR 93 H THR 93 -1.524 4.418 5.106 668 HA THR 93 HA THR 93 0.114 6.818 4.611 669 HB THR 93 HB THR 93 0.134 4.715 6.821 670 HG1 THR 93 1HG THR 93 0.018 6.767 8.004 671 HG21 THR 93 1HG2 THR 93 2.511 5.151 5.963 672 HG22 THR 93 2HG2 THR 93 2.242 6.875 6.314 673 HG23 THR 93 3HG2 THR 93 2.224 5.684 7.637 674 H LEU 94 H LEU 94 1.165 6.579 2.734 675 HA LEU 94 HA LEU 94 1.854 3.943 1.823 676 HB2 LEU 94 1HB LEU 94 1.629 6.632 0.727 677 HB3 LEU 94 2HB LEU 94 3.069 5.807 0.164 678 HG LEU 94 HG LEU 94 1.861 4.128 -0.917 679 HD11 LEU 94 1HD1 LEU 94 -0.799 4.195 -0.498 680 HD12 LEU 94 2HD1 LEU 94 0.322 3.165 0.425 681 HD13 LEU 94 3HD1 LEU 94 -0.225 4.717 1.105 682 HD21 LEU 94 1HD2 LEU 94 1.335 5.586 -2.507 683 HD22 LEU 94 2HD2 LEU 94 -0.275 5.725 -1.761 684 HD23 LEU 94 3HD2 LEU 94 1.014 6.868 -1.314 685 H THR 95 H THR 95 3.997 3.144 1.470 686 HA THR 95 HA THR 95 6.193 4.677 2.575 687 HB THR 95 HB THR 95 6.255 2.033 3.779 688 HG1 THR 95 1HG THR 95 3.846 2.499 3.399 689 HG21 THR 95 1HG2 THR 95 6.085 3.427 5.915 690 HG22 THR 95 2HG2 THR 95 7.404 3.925 4.829 691 HG23 THR 95 3HG2 THR 95 5.894 4.865 4.884 692 H LEU 96 H LEU 96 8.233 3.997 1.849 693 HA LEU 96 HA LEU 96 8.103 1.848 -0.148 694 HB2 LEU 96 1HB LEU 96 8.528 4.595 -0.596 695 HB3 LEU 96 2HB LEU 96 10.098 3.834 -0.763 696 HG LEU 96 HG LEU 96 7.735 2.644 -2.183 697 HD11 LEU 96 1HD1 LEU 96 7.974 5.232 -2.527 698 HD12 LEU 96 2HD1 LEU 96 9.351 4.763 -3.554 699 HD13 LEU 96 3HD1 LEU 96 7.720 4.152 -3.919 700 HD21 LEU 96 1HD2 LEU 96 9.519 2.095 -3.855 701 HD22 LEU 96 2HD2 LEU 96 10.712 2.763 -2.716 702 HD23 LEU 96 3HD2 LEU 96 9.738 1.346 -2.255 703 H ARG 97 H ARG 97 9.037 0.192 1.004 704 HA ARG 97 HA ARG 97 11.422 0.844 2.492 705 HB2 ARG 97 1HB ARG 97 9.646 -1.635 2.354 706 HB3 ARG 97 2HB ARG 97 11.176 -1.646 3.209 707 HG2 ARG 97 1HG ARG 97 10.074 -0.816 5.011 708 HG3 ARG 97 2HG ARG 97 9.925 0.696 4.139 709 HD2 ARG 97 1HD ARG 97 7.771 -0.089 3.135 710 HD3 ARG 97 2HD ARG 97 7.921 -1.610 3.992 711 HE ARG 97 HE ARG 97 7.179 0.990 5.151 712 HH11 ARG 97 2HH2 ARG 97 8.321 -2.273 5.807 713 HH12 ARG 97 1HH2 ARG 97 7.795 -2.263 7.457 714 HH21 ARG 97 2HH1 ARG 97 6.486 1.005 7.328 715 HH22 ARG 97 1HH1 ARG 97 6.744 -0.386 8.329 716 H THR 98 H THR 98 13.440 -0.380 2.159 717 HA THR 98 HA THR 98 13.667 -1.338 -0.606 718 HB THR 98 HB THR 98 16.152 -0.893 -0.105 719 HG1 THR 98 1HG THR 98 16.405 0.366 1.906 720 HG21 THR 98 1HG2 THR 98 15.958 1.355 -0.650 721 HG22 THR 98 2HG2 THR 98 14.252 0.917 -0.906 722 HG23 THR 98 3HG2 THR 98 14.759 1.659 0.630 723 H CYS 99 H CYS 99 14.566 -3.329 -1.133 724 HA CYS 99 HA CYS 99 14.285 -5.266 0.976 725 HB2 CYS 99 1HB CYS 99 13.505 -5.441 -1.531 726 HB3 CYS 99 2HB CYS 99 15.157 -5.949 -1.821 727 HG CYS 99 HG CYS 99 12.741 -7.259 -0.041 728 H ASP 100 H ASP 100 16.036 -5.403 2.362 729 HA ASP 100 HA ASP 100 18.612 -5.761 1.082 730 HB2 ASP 100 1HB ASP 100 18.151 -3.369 2.128 731 HB3 ASP 100 2HB ASP 100 18.374 -4.185 3.663 732 H ARG 101 H ARG 101 20.236 -6.676 2.851 733 HA ARG 101 HA ARG 101 19.335 -8.995 3.807 734 HB2 ARG 101 1HB ARG 101 21.548 -7.168 4.834 735 HB3 ARG 101 2HB ARG 101 21.291 -8.753 5.537 736 HG2 ARG 101 1HG ARG 101 21.256 -9.172 2.724 737 HG3 ARG 101 2HG ARG 101 22.571 -8.048 3.004 738 HD2 ARG 101 1HD ARG 101 22.856 -9.938 5.078 739 HD3 ARG 101 2HD ARG 101 22.385 -10.906 3.696 740 HE ARG 101 HE ARG 101 24.399 -9.022 2.884 741 HH11 ARG 101 2HH2 ARG 101 24.018 -11.968 4.770 742 HH12 ARG 101 1HH2 ARG 101 25.648 -12.495 4.513 743 HH21 ARG 101 2HH1 ARG 101 26.549 -9.717 2.545 744 HH22 ARG 101 1HH1 ARG 101 27.097 -11.206 3.239 745 H PHE 102 H PHE 102 19.925 -6.062 5.900 746 HA PHE 102 HA PHE 102 17.835 -7.099 7.684 747 HB2 PHE 102 1HB PHE 102 20.241 -5.256 8.220 748 HB3 PHE 102 2HB PHE 102 19.152 -5.869 9.448 749 HD1 PHE 102 1HD PHE 102 21.553 -7.034 6.850 750 HD2 PHE 102 2HD PHE 102 19.667 -7.842 10.565 751 HE1 PHE 102 1HE PHE 102 23.037 -9.033 7.169 752 HE2 PHE 102 2HE PHE 102 21.151 -9.841 10.883 753 HZ PHE 102 HZ PHE 102 22.818 -10.413 9.181 754 H SER 103 H SER 103 19.322 -4.197 6.148 755 HA SER 103 HA SER 103 18.512 -2.248 5.645 756 HB2 SER 103 1HB SER 103 16.251 -3.975 5.427 757 HB3 SER 103 2HB SER 103 15.673 -2.521 6.216 758 HG SER 103 HG SER 103 17.151 -1.528 4.315 759 H ARG 104 H ARG 104 19.520 -2.555 8.232 760 HA ARG 104 HA ARG 104 17.812 -1.847 10.256 761 HB2 ARG 104 1HB ARG 104 20.798 -1.410 9.827 762 HB3 ARG 104 2HB ARG 104 20.016 -0.898 11.310 763 HG2 ARG 104 1HG ARG 104 19.148 -3.593 10.736 764 HG3 ARG 104 2HG ARG 104 20.893 -3.545 10.577 765 HD2 ARG 104 1HD ARG 104 20.035 -2.030 12.936 766 HD3 ARG 104 2HD ARG 104 19.403 -3.663 12.991 767 HE ARG 104 HE ARG 104 22.244 -3.509 12.251 768 HH11 ARG 104 2HH2 ARG 104 19.938 -3.782 14.894 769 HH12 ARG 104 1HH2 ARG 104 21.083 -4.480 15.991 770 HH21 ARG 104 2HH1 ARG 104 23.755 -4.429 13.697 771 HH22 ARG 104 1HH1 ARG 104 23.269 -4.850 15.305 772 H HIS 105 H HIS 105 16.378 -0.164 9.438 773 HA HIS 105 HA HIS 105 16.986 2.374 10.164 774 HB2 HIS 105 1HB HIS 105 18.338 1.768 7.743 775 HB3 HIS 105 2HB HIS 105 17.020 2.843 7.322 776 HD1 HIS 105 1HD HIS 105 18.138 5.074 7.045 777 HD2 HIS 105 2HD HIS 105 19.327 3.120 10.562 778 HE1 HIS 105 1HE HIS 105 19.607 6.726 8.320 779 H SER 106 H SER 106 15.394 4.026 8.859 780 HA SER 106 HA SER 106 12.872 2.779 9.130 781 HB2 SER 106 1HB SER 106 13.400 5.554 8.002 782 HB3 SER 106 2HB SER 106 11.959 4.991 8.825 783 HG SER 106 HG SER 106 13.944 6.263 9.957 784 H VAL 107 H VAL 107 11.267 3.988 7.150 785 HA VAL 107 HA VAL 107 11.829 2.278 4.940 786 HB VAL 107 HB VAL 107 9.723 2.986 4.120 787 HG11 VAL 107 1HG1 VAL 107 9.706 1.537 6.140 788 HG12 VAL 107 2HG1 VAL 107 9.533 2.991 7.151 789 HG13 VAL 107 3HG1 VAL 107 8.250 2.551 5.998 790 HG21 VAL 107 1HG2 VAL 107 10.422 5.506 5.155 791 HG22 VAL 107 2HG2 VAL 107 8.940 5.071 4.270 792 HG23 VAL 107 3HG2 VAL 107 8.964 5.011 6.049 793 H ALA 108 H ALA 108 11.784 3.152 2.629 794 HA ALA 108 HA ALA 108 13.900 5.021 2.375 795 HB1 ALA 108 1HB ALA 108 13.862 4.417 0.123 796 HB2 ALA 108 2HB ALA 108 13.148 2.978 0.889 797 HB3 ALA 108 3HB ALA 108 12.097 4.184 0.107 798 H GLY 109 H GLY 109 10.505 5.317 2.864 799 HA2 GLY 109 1HA GLY 109 10.424 8.037 3.028 800 HA3 GLY 109 2HA GLY 109 10.102 7.714 1.336 801 H GLU 110 H GLU 110 8.505 8.473 4.035 802 HA GLU 110 HA GLU 110 6.374 6.542 3.561 803 HB2 GLU 110 1HB GLU 110 6.830 6.352 5.839 804 HB3 GLU 110 2HB GLU 110 7.308 8.030 6.001 805 HG2 GLU 110 1HG GLU 110 4.927 8.741 5.741 806 HG3 GLU 110 2HG GLU 110 4.442 7.068 5.552 807 H LEU 111 H LEU 111 4.205 7.302 3.234 808 HA LEU 111 HA LEU 111 3.958 10.199 2.893 809 HB2 LEU 111 1HB LEU 111 4.201 8.374 0.786 810 HB3 LEU 111 2HB LEU 111 2.486 8.724 0.882 811 HG LEU 111 HG LEU 111 4.363 11.044 0.948 812 HD11 LEU 111 1HD1 LEU 111 5.450 10.365 -0.887 813 HD12 LEU 111 2HD1 LEU 111 4.255 9.097 -1.250 814 HD13 LEU 111 3HD1 LEU 111 3.947 10.780 -1.744 815 HD21 LEU 111 1HD2 LEU 111 1.684 10.571 -0.388 816 HD22 LEU 111 2HD2 LEU 111 1.955 11.390 1.169 817 HD23 LEU 111 3HD2 LEU 111 2.575 12.111 -0.336 818 H ARG 112 H ARG 112 1.871 11.034 3.328 819 HA ARG 112 HA ARG 112 0.124 9.043 4.538 820 HB2 ARG 112 1HB ARG 112 0.814 10.424 6.340 821 HB3 ARG 112 2HB ARG 112 0.855 11.870 5.351 822 HG2 ARG 112 1HG ARG 112 -1.616 11.901 5.224 823 HG3 ARG 112 2HG ARG 112 -1.709 10.388 6.102 824 HD2 ARG 112 1HD ARG 112 -1.201 11.372 8.148 825 HD3 ARG 112 2HD ARG 112 -0.157 12.585 7.433 826 HE ARG 112 HE ARG 112 -2.961 12.935 6.683 827 HH11 ARG 112 2HH2 ARG 112 -0.549 13.628 9.150 828 HH12 ARG 112 1HH2 ARG 112 -1.388 15.015 9.762 829 HH21 ARG 112 2HH1 ARG 112 -4.068 14.764 7.490 830 HH22 ARG 112 1HH1 ARG 112 -3.403 15.665 8.811 831 H LEU 113 H LEU 113 -2.150 9.198 4.086 832 HA LEU 113 HA LEU 113 -3.030 11.383 2.398 833 HB2 LEU 113 1HB LEU 113 -3.221 8.505 1.499 834 HB3 LEU 113 2HB LEU 113 -3.937 9.888 0.696 835 HG LEU 113 HG LEU 113 -0.959 9.484 1.085 836 HD11 LEU 113 1HD1 LEU 113 -0.873 8.893 -1.281 837 HD12 LEU 113 2HD1 LEU 113 -1.899 7.756 -0.374 838 HD13 LEU 113 3HD1 LEU 113 -2.645 9.014 -1.389 839 HD21 LEU 113 1HD2 LEU 113 -2.428 11.806 0.468 840 HD22 LEU 113 2HD2 LEU 113 -0.668 11.561 0.364 841 HD23 LEU 113 3HD2 LEU 113 -1.694 11.261 -1.060 842 H GLY 114 H GLY 114 -5.523 11.023 1.948 843 HA2 GLY 114 1HA GLY 114 -6.693 9.945 4.445 844 HA3 GLY 114 2HA GLY 114 -7.229 11.420 3.666 845 H LEU 115 H LEU 115 -9.041 9.329 4.194 846 HA LEU 115 HA LEU 115 -9.499 8.263 1.495 847 HB2 LEU 115 1HB LEU 115 -10.591 7.040 4.011 848 HB3 LEU 115 2HB LEU 115 -10.457 6.335 2.412 849 HG LEU 115 HG LEU 115 -8.792 5.246 3.586 850 HD11 LEU 115 1HD1 LEU 115 -7.030 5.632 2.268 851 HD12 LEU 115 2HD1 LEU 115 -8.018 6.933 1.559 852 HD13 LEU 115 3HD1 LEU 115 -6.844 7.306 2.843 853 HD21 LEU 115 1HD2 LEU 115 -7.747 7.778 4.849 854 HD22 LEU 115 2HD2 LEU 115 -9.052 6.818 5.585 855 HD23 LEU 115 3HD2 LEU 115 -7.451 6.086 5.317 856 H ASP 116 H ASP 116 -10.863 9.818 4.424 857 HA ASP 116 HA ASP 116 -13.457 9.845 3.947 858 HB2 ASP 116 1HB ASP 116 -13.351 12.351 4.737 859 HB3 ASP 116 2HB ASP 116 -12.785 11.092 5.817 860 H GLY 117 H GLY 117 -10.920 11.766 2.250 861 HA2 GLY 117 1HA GLY 117 -11.292 12.147 -0.121 862 HA3 GLY 117 2HA GLY 117 -12.950 12.574 0.253 863 H THR 118 H THR 118 -10.262 13.526 2.393 864 HA THR 118 HA THR 118 -10.825 16.318 1.697 865 HB THR 118 HB THR 118 -9.689 14.875 4.135 866 HG1 THR 118 1HG THR 118 -11.757 15.380 4.774 867 HG21 THR 118 1HG2 THR 118 -9.330 17.020 5.194 868 HG22 THR 118 2HG2 THR 118 -8.470 17.109 3.638 869 HG23 THR 118 3HG2 THR 118 -10.058 17.892 3.823 870 H SER 119 H SER 119 -7.829 14.923 3.091 871 HA SER 119 HA SER 119 -6.104 16.552 1.949 872 HB2 SER 119 1HB SER 119 -5.737 13.538 2.247 873 HB3 SER 119 2HB SER 119 -4.426 14.681 2.040 874 HG SER 119 HG SER 119 -4.468 14.908 4.162 875 H VAL 120 H VAL 120 -6.646 13.263 0.480 876 HA VAL 120 HA VAL 120 -6.303 14.544 -2.144 877 HB VAL 120 HB VAL 120 -5.612 12.014 -2.641 878 HG11 VAL 120 1HG1 VAL 120 -3.649 13.972 -1.412 879 HG12 VAL 120 2HG1 VAL 120 -3.326 12.727 -2.643 880 HG13 VAL 120 3HG1 VAL 120 -4.324 14.143 -3.050 881 HG21 VAL 120 1HG2 VAL 120 -4.878 12.451 0.270 882 HG22 VAL 120 2HG2 VAL 120 -5.884 11.151 -0.413 883 HG23 VAL 120 3HG2 VAL 120 -4.142 11.211 -0.773 884 HA PRO 121 HA PRO 121 -10.268 12.984 -2.931 885 HB2 PRO 121 1HB PRO 121 -10.388 13.411 -5.628 886 HB3 PRO 121 2HB PRO 121 -10.697 14.666 -4.444 887 HG2 PRO 121 1HG PRO 121 -8.309 14.266 -6.140 888 HG3 PRO 121 2HG PRO 121 -8.819 15.708 -5.285 889 HD2 PRO 121 1HD PRO 121 -6.733 13.900 -4.507 890 HD3 PRO 121 2HD PRO 121 -7.322 15.275 -3.595 891 H LEU 122 H LEU 122 -11.530 11.421 -4.379 892 HA LEU 122 HA LEU 122 -9.790 9.088 -4.574 893 HB2 LEU 122 1HB LEU 122 -12.772 9.456 -4.368 894 HB3 LEU 122 2HB LEU 122 -12.047 7.919 -4.795 895 HG LEU 122 HG LEU 122 -11.420 9.420 -2.240 896 HD11 LEU 122 1HD1 LEU 122 -13.572 7.429 -2.883 897 HD12 LEU 122 2HD1 LEU 122 -12.844 7.466 -1.259 898 HD13 LEU 122 3HD1 LEU 122 -13.647 8.916 -1.907 899 HD21 LEU 122 1HD2 LEU 122 -10.848 6.845 -1.710 900 HD22 LEU 122 2HD2 LEU 122 -10.487 6.879 -3.453 901 HD23 LEU 122 3HD2 LEU 122 -9.661 8.006 -2.350 902 H GLY 123 H GLY 123 -9.934 7.670 -6.474 903 HA2 GLY 123 1HA GLY 123 -9.813 7.334 -8.691 904 HA3 GLY 123 2HA GLY 123 -11.280 8.284 -8.819 905 H ALA 124 H ALA 124 -8.496 9.839 -7.331 906 HA ALA 124 HA ALA 124 -7.895 11.171 -9.877 907 HB1 ALA 124 1HB ALA 124 -8.521 13.173 -9.061 908 HB2 ALA 124 2HB ALA 124 -9.278 12.301 -7.706 909 HB3 ALA 124 3HB ALA 124 -7.612 12.910 -7.554 910 H ALA 125 H ALA 125 -5.918 10.236 -10.304 911 HA ALA 125 HA ALA 125 -4.106 9.479 -8.305 912 HB1 ALA 125 1HB ALA 125 -4.396 8.928 -10.919 913 HB2 ALA 125 2HB ALA 125 -3.149 10.191 -11.050 914 HB3 ALA 125 3HB ALA 125 -2.841 8.734 -10.075 915 H GLN 126 H GLN 126 -2.499 10.576 -7.233 916 HA GLN 126 HA GLN 126 -2.042 13.311 -8.135 917 HB2 GLN 126 1HB GLN 126 -2.187 12.387 -5.231 918 HB3 GLN 126 2HB GLN 126 -1.889 14.026 -5.776 919 HG2 GLN 126 1HG GLN 126 -4.391 12.572 -6.684 920 HG3 GLN 126 2HG GLN 126 -4.338 13.297 -5.090 921 HE21 GLN 126 1HE2 GLN 126 -5.333 15.154 -5.074 922 HE22 GLN 126 2HE2 GLN 126 -5.251 16.405 -6.269 923 H TRP 127 H TRP 127 0.120 14.203 -7.462 924 HA TRP 127 HA TRP 127 2.074 12.013 -7.314 925 HB2 TRP 127 1HB TRP 127 1.975 14.576 -8.814 926 HB3 TRP 127 2HB TRP 127 3.534 14.091 -8.175 927 HD1 TRP 127 HD TRP 127 1.191 13.355 -11.029 928 HE1 TRP 127 1HE TRP 127 2.094 11.448 -12.614 929 HE3 TRP 127 3HE TRP 127 4.917 11.817 -7.928 930 HZ2 TRP 127 2HZ TRP 127 4.216 9.553 -12.398 931 HZ3 TRP 127 3HZ TRP 127 6.358 9.932 -8.691 932 HH2 TRP 127 HH TRP 127 6.056 8.810 -10.842 933 H GLY 128 H GLY 128 2.112 11.837 -5.016 934 HA2 GLY 128 1HA GLY 128 2.683 14.284 -3.500 935 HA3 GLY 128 2HA GLY 128 2.184 12.732 -2.856 936 H GLU 129 H GLU 129 4.505 14.394 -2.050 937 HA GLU 129 HA GLU 129 6.713 12.800 -3.034 938 HB2 GLU 129 1HB GLU 129 7.254 15.105 -3.092 939 HB3 GLU 129 2HB GLU 129 6.490 15.428 -1.548 940 HG2 GLU 129 1HG GLU 129 8.266 14.032 -0.416 941 HG3 GLU 129 2HG GLU 129 9.049 13.812 -1.968 942 H LEU 130 H LEU 130 8.141 11.642 -1.588 943 HA LEU 130 HA LEU 130 6.751 10.498 0.620 944 HB2 LEU 130 1HB LEU 130 9.543 10.143 -0.473 945 HB3 LEU 130 2HB LEU 130 8.909 9.239 0.887 946 HG LEU 130 HG LEU 130 7.593 9.232 -1.837 947 HD11 LEU 130 1HD1 LEU 130 8.827 6.770 -1.531 948 HD12 LEU 130 2HD1 LEU 130 9.347 8.093 -2.602 949 HD13 LEU 130 3HD1 LEU 130 10.057 7.931 -0.977 950 HD21 LEU 130 1HD2 LEU 130 7.130 7.840 0.749 951 HD22 LEU 130 2HD2 LEU 130 5.978 8.373 -0.498 952 HD23 LEU 130 3HD2 LEU 130 6.924 6.885 -0.738 953 H LYS 131 H LYS 131 6.826 11.037 2.750 954 HA LYS 131 HA LYS 131 8.400 13.370 3.426 955 HB2 LYS 131 1HB LYS 131 6.253 11.825 4.905 956 HB3 LYS 131 2HB LYS 131 7.096 13.206 5.576 957 HG2 LYS 131 1HG LYS 131 5.632 13.312 2.902 958 HG3 LYS 131 2HG LYS 131 4.855 13.708 4.422 959 HD2 LYS 131 1HD LYS 131 5.651 15.819 4.196 960 HD3 LYS 131 2HD LYS 131 7.258 15.183 4.487 961 HE2 LYS 131 1HE LYS 131 6.868 14.550 1.803 962 HE3 LYS 131 2HE LYS 131 6.017 16.075 1.942 963 HZ1 LYS 131 1HZ LYS 131 8.211 16.616 1.495 964 HZ2 LYS 131 2HZ LYS 131 8.081 16.879 3.101 965 HZ3 LYS 131 3HZ LYS 131 8.827 15.534 2.552 966 H THR 132 H THR 132 10.286 11.650 2.849 967 HA THR 132 HA THR 132 11.057 9.624 4.425 968 HB THR 132 HB THR 132 13.381 10.357 3.861 969 HG1 THR 132 1HG THR 132 11.879 12.759 3.087 970 HG21 THR 132 1HG2 THR 132 11.723 11.386 1.545 971 HG22 THR 132 2HG2 THR 132 13.170 10.350 1.513 972 HG23 THR 132 3HG2 THR 132 11.596 9.666 1.986 973 H SER 133 H SER 133 11.341 13.115 5.293 974 HA SER 133 HA SER 133 11.939 14.070 7.170 975 HB2 SER 133 1HB SER 133 9.644 13.542 7.733 976 HB3 SER 133 2HB SER 133 10.060 11.898 8.177 977 HG SER 133 HG SER 133 10.002 14.080 9.765 978 H GLY 134 H GLY 134 14.233 13.474 7.056 979 HA2 GLY 134 1HA GLY 134 15.523 12.714 9.211 980 HA3 GLY 134 2HA GLY 134 15.049 11.136 8.617 981 HA PRO 135 HA PRO 135 18.850 11.798 6.412 982 HB2 PRO 135 1HB PRO 135 19.561 9.166 6.226 983 HB3 PRO 135 2HB PRO 135 20.022 10.191 7.571 984 HG2 PRO 135 1HG PRO 135 17.958 8.076 7.474 985 HG3 PRO 135 2HG PRO 135 18.721 8.802 8.875 986 HD2 PRO 135 1HD PRO 135 16.086 9.346 7.881 987 HD3 PRO 135 2HD PRO 135 16.892 10.154 9.210 988 H SER 136 H SER 136 19.195 12.105 4.286 989 HA SER 136 HA SER 136 18.220 10.209 2.468 990 HB2 SER 136 1HB SER 136 16.564 11.718 1.306 991 HB3 SER 136 2HB SER 136 16.032 11.151 2.876 992 HG SER 136 HG SER 136 16.091 13.159 3.673 993 H SER 137 H SER 137 18.463 11.176 0.097 994 HA SER 137 HA SER 137 21.031 12.089 -0.133 995 HB2 SER 137 1HB SER 137 20.053 11.001 -2.012 996 HB3 SER 137 2HB SER 137 18.660 12.065 -2.023 997 HG SER 137 HG SER 137 19.813 13.668 -3.005 998 H GLY 138 H GLY 138 21.837 14.041 0.550 999 HA2 GLY 138 1HA GLY 138 21.748 16.424 -0.263 1000 HA3 GLY 138 2HA GLY 138 20.086 16.408 0.294 Start of MODEL 3 1 H1 GLY 1 H GLY 1 19.009 1.748 18.698 2 HA2 GLY 1 1HA GLY 1 18.758 3.064 16.875 3 HA3 GLY 1 2HA GLY 1 17.185 3.571 17.460 4 H SER 2 H SER 2 19.898 4.918 16.446 5 HA SER 2 HA SER 2 19.483 7.313 17.712 6 HB2 SER 2 1HB SER 2 20.740 5.684 19.514 7 HB3 SER 2 2HB SER 2 22.138 6.367 18.709 8 HG SER 2 HG SER 2 21.803 8.235 19.699 9 H SER 3 H SER 3 21.649 8.792 17.354 10 HA SER 3 HA SER 3 23.133 9.586 15.978 11 HB2 SER 3 1HB SER 3 23.645 6.769 15.849 12 HB3 SER 3 2HB SER 3 23.758 7.378 14.210 13 HG SER 3 HG SER 3 25.619 8.308 14.696 14 H GLY 4 H GLY 4 21.378 7.028 14.057 15 HA2 GLY 4 1HA GLY 4 20.139 7.159 12.189 16 HA3 GLY 4 2HA GLY 4 19.712 8.789 12.672 17 H SER 5 H SER 5 19.773 8.872 10.133 18 HA SER 5 HA SER 5 21.863 10.487 9.424 19 HB2 SER 5 1HB SER 5 22.796 7.886 9.437 20 HB3 SER 5 2HB SER 5 22.285 8.053 7.769 21 HG SER 5 HG SER 5 23.861 10.129 8.972 22 H SER 6 H SER 6 21.877 10.781 6.861 23 HA SER 6 HA SER 6 19.871 9.722 5.331 24 HB2 SER 6 1HB SER 6 18.239 11.624 5.252 25 HB3 SER 6 2HB SER 6 18.235 10.777 6.787 26 HG SER 6 HG SER 6 19.794 12.508 7.525 27 H GLY 7 H GLY 7 19.463 11.224 3.296 28 HA2 GLY 7 1HA GLY 7 22.041 12.497 2.680 29 HA3 GLY 7 2HA GLY 7 20.875 11.868 1.533 30 H SER 8 H SER 8 21.575 14.248 0.760 31 HA SER 8 HA SER 8 19.284 15.769 0.934 32 HB2 SER 8 1HB SER 8 20.482 16.151 3.275 33 HB3 SER 8 2HB SER 8 21.521 17.224 2.357 34 HG SER 8 HG SER 8 19.834 18.592 1.931 35 H TRP 9 H TRP 9 19.526 17.847 -0.343 36 HA TRP 9 HA TRP 9 20.475 19.150 -1.894 37 HB2 TRP 9 1HB TRP 9 22.710 18.337 -0.543 38 HB3 TRP 9 2HB TRP 9 23.047 17.747 -2.159 39 HD1 TRP 9 HD TRP 9 21.696 21.159 -0.763 40 HE1 TRP 9 1HE TRP 9 22.884 23.177 -1.978 41 HE3 TRP 9 3HE TRP 9 24.590 18.301 -3.815 42 HZ2 TRP 9 2HZ TRP 9 24.857 23.349 -4.034 43 HZ3 TRP 9 3HZ TRP 9 26.120 19.474 -5.397 44 HH2 TRP 9 HH TRP 9 26.281 21.908 -5.536 45 H ASN 10 H ASN 10 18.669 17.606 -2.827 46 HA ASN 10 HA ASN 10 19.461 16.895 -5.356 47 HB2 ASN 10 1HB ASN 10 19.396 14.458 -5.340 48 HB3 ASN 10 2HB ASN 10 20.551 14.948 -4.116 49 HD21 ASN 10 1HD2 ASN 10 17.831 13.128 -4.804 50 HD22 ASN 10 2HD2 ASN 10 17.313 12.720 -3.202 51 H GLN 11 H GLN 11 17.541 15.725 -6.523 52 HA GLN 11 HA GLN 11 15.214 16.961 -6.022 53 HB2 GLN 11 1HB GLN 11 16.050 15.339 -7.970 54 HB3 GLN 11 2HB GLN 11 15.123 14.140 -7.091 55 HG2 GLN 11 1HG GLN 11 13.083 15.465 -7.274 56 HG3 GLN 11 2HG GLN 11 13.964 16.844 -7.899 57 HE21 GLN 11 1HE2 GLN 11 14.373 17.025 -10.007 58 HE22 GLN 11 2HE2 GLN 11 13.961 15.863 -11.223 59 H ALA 12 H ALA 12 13.029 15.978 -5.342 60 HA ALA 12 HA ALA 12 13.456 14.605 -2.802 61 HB1 ALA 12 1HB ALA 12 11.453 16.500 -3.949 62 HB2 ALA 12 2HB ALA 12 10.846 15.299 -2.784 63 HB3 ALA 12 3HB ALA 12 12.145 16.421 -2.312 64 HA PRO 13 HA PRO 13 11.687 10.955 -4.299 65 HB2 PRO 13 1HB PRO 13 10.642 9.853 -2.027 66 HB3 PRO 13 2HB PRO 13 12.345 9.774 -2.436 67 HG2 PRO 13 1HG PRO 13 10.999 11.469 -0.421 68 HG3 PRO 13 2HG PRO 13 12.698 11.062 -0.555 69 HD2 PRO 13 1HD PRO 13 11.466 13.545 -1.290 70 HD3 PRO 13 2HD PRO 13 13.142 13.096 -1.531 71 H LYS 14 H LYS 14 10.061 10.704 -5.682 72 HA LYS 14 HA LYS 14 7.493 11.736 -4.701 73 HB2 LYS 14 1HB LYS 14 8.923 11.978 -7.259 74 HB3 LYS 14 2HB LYS 14 7.249 11.493 -7.438 75 HG2 LYS 14 1HG LYS 14 6.887 13.447 -5.599 76 HG3 LYS 14 2HG LYS 14 8.381 14.039 -6.299 77 HD2 LYS 14 1HD LYS 14 6.329 13.158 -8.281 78 HD3 LYS 14 2HD LYS 14 5.877 14.555 -7.324 79 HE2 LYS 14 1HE LYS 14 8.562 14.353 -8.759 80 HE3 LYS 14 2HE LYS 14 7.139 15.040 -9.517 81 HZ1 LYS 14 1HZ LYS 14 8.818 16.157 -7.521 82 HZ2 LYS 14 2HZ LYS 14 7.780 16.901 -8.539 83 HZ3 LYS 14 3HZ LYS 14 7.237 16.277 -7.130 84 H LEU 15 H LEU 15 5.660 10.426 -4.777 85 HA LEU 15 HA LEU 15 6.033 7.748 -5.878 86 HB2 LEU 15 1HB LEU 15 6.541 7.187 -3.727 87 HB3 LEU 15 2HB LEU 15 5.570 8.469 -3.031 88 HG LEU 15 HG LEU 15 3.527 7.234 -3.436 89 HD11 LEU 15 1HD1 LEU 15 4.321 6.184 -5.584 90 HD12 LEU 15 2HD1 LEU 15 5.179 4.979 -4.593 91 HD13 LEU 15 3HD1 LEU 15 3.406 5.111 -4.497 92 HD21 LEU 15 1HD2 LEU 15 4.332 4.998 -2.173 93 HD22 LEU 15 2HD2 LEU 15 5.762 6.024 -1.906 94 HD23 LEU 15 3HD2 LEU 15 4.157 6.576 -1.368 95 H HIS 16 H HIS 16 4.497 7.589 -7.417 96 HA HIS 16 HA HIS 16 2.141 9.202 -7.216 97 HB2 HIS 16 1HB HIS 16 3.571 8.502 -9.313 98 HB3 HIS 16 2HB HIS 16 2.557 7.073 -9.293 99 HD1 HIS 16 1HD HIS 16 0.935 7.432 -11.170 100 HD2 HIS 16 2HD HIS 16 1.358 10.840 -8.762 101 HE1 HIS 16 1HE HIS 16 -0.772 9.126 -12.023 102 H TYR 17 H TYR 17 0.019 8.516 -6.819 103 HA TYR 17 HA TYR 17 -0.541 5.717 -6.520 104 HB2 TYR 17 1HB TYR 17 -1.239 6.165 -4.066 105 HB3 TYR 17 2HB TYR 17 0.493 6.182 -4.333 106 HD1 TYR 17 1HD TYR 17 -2.479 8.399 -3.958 107 HD2 TYR 17 2HD TYR 17 1.787 8.102 -3.826 108 HE1 TYR 17 1HE TYR 17 -2.341 10.730 -2.953 109 HE2 TYR 17 2HE TYR 17 1.911 10.434 -2.822 110 HH TYR 17 HH TYR 17 -1.001 12.400 -2.465 111 H CYS 18 H CYS 18 -2.716 5.309 -6.826 112 HA CYS 18 HA CYS 18 -4.385 7.707 -7.031 113 HB2 CYS 18 1HB CYS 18 -4.239 6.782 -9.194 114 HB3 CYS 18 2HB CYS 18 -4.367 5.134 -8.611 115 HG CYS 18 HG CYS 18 -6.526 6.827 -9.824 116 H LEU 19 H LEU 19 -5.623 7.874 -5.185 117 HA LEU 19 HA LEU 19 -6.304 5.467 -3.737 118 HB2 LEU 19 1HB LEU 19 -7.137 8.269 -3.043 119 HB3 LEU 19 2HB LEU 19 -6.946 6.885 -1.985 120 HG LEU 19 HG LEU 19 -5.064 8.033 -1.432 121 HD11 LEU 19 1HD1 LEU 19 -3.197 6.903 -2.198 122 HD12 LEU 19 2HD1 LEU 19 -4.516 5.781 -2.611 123 HD13 LEU 19 3HD1 LEU 19 -3.801 6.816 -3.870 124 HD21 LEU 19 1HD2 LEU 19 -5.678 9.770 -3.298 125 HD22 LEU 19 2HD2 LEU 19 -4.035 9.714 -2.616 126 HD23 LEU 19 3HD2 LEU 19 -4.369 8.963 -4.195 127 H ASP 20 H ASP 20 -8.124 4.323 -4.090 128 HA ASP 20 HA ASP 20 -10.468 5.793 -4.904 129 HB2 ASP 20 1HB ASP 20 -9.648 5.103 -7.058 130 HB3 ASP 20 2HB ASP 20 -9.173 3.525 -6.461 131 H TYR 21 H TYR 21 -11.916 5.158 -3.295 132 HA TYR 21 HA TYR 21 -11.638 2.469 -2.187 133 HB2 TYR 21 1HB TYR 21 -11.728 4.632 -0.794 134 HB3 TYR 21 2HB TYR 21 -13.325 4.942 -1.447 135 HD1 TYR 21 2HD TYR 21 -11.389 2.481 0.588 136 HD2 TYR 21 1HD TYR 21 -15.244 4.047 -0.408 137 HE1 TYR 21 2HE TYR 21 -12.430 1.141 2.481 138 HE2 TYR 21 1HE TYR 21 -16.272 2.702 1.489 139 HH TYR 21 HH TYR 21 -14.841 0.176 2.887 140 H ASP 22 H ASP 22 -12.851 0.885 -3.092 141 HA ASP 22 HA ASP 22 -15.205 1.647 -4.538 142 HB2 ASP 22 1HB ASP 22 -13.339 -0.265 -4.987 143 HB3 ASP 22 2HB ASP 22 -14.458 -1.230 -4.046 144 H CYS 23 H CYS 23 -16.619 2.307 -2.749 145 HA CYS 23 HA CYS 23 -17.022 1.120 -0.390 146 HB2 CYS 23 1HB CYS 23 -19.138 2.154 -0.297 147 HB3 CYS 23 2HB CYS 23 -18.181 3.172 -1.354 148 HG CYS 23 HG CYS 23 -20.917 1.808 -1.809 149 H GLN 24 H GLN 24 -18.077 0.010 -3.629 150 HA GLN 24 HA GLN 24 -19.881 -1.902 -2.828 151 HB2 GLN 24 1HB GLN 24 -18.008 -2.149 -5.216 152 HB3 GLN 24 2HB GLN 24 -19.608 -2.844 -5.049 153 HG2 GLN 24 1HG GLN 24 -19.846 -0.011 -4.580 154 HG3 GLN 24 2HG GLN 24 -18.882 -0.223 -6.028 155 HE21 GLN 24 1HE2 GLN 24 -21.241 0.951 -6.309 156 HE22 GLN 24 2HE2 GLN 24 -22.409 -0.071 -7.077 157 H LYS 25 H LYS 25 -16.302 -2.110 -3.323 158 HA LYS 25 HA LYS 25 -16.369 -4.825 -2.260 159 HB2 LYS 25 1HB LYS 25 -13.839 -3.539 -3.179 160 HB3 LYS 25 2HB LYS 25 -14.380 -5.197 -3.336 161 HG2 LYS 25 1HG LYS 25 -16.202 -4.269 -4.953 162 HG3 LYS 25 2HG LYS 25 -15.267 -2.787 -4.969 163 HD2 LYS 25 1HD LYS 25 -13.728 -3.672 -6.388 164 HD3 LYS 25 2HD LYS 25 -13.504 -5.081 -5.370 165 HE2 LYS 25 1HE LYS 25 -15.813 -5.882 -6.360 166 HE3 LYS 25 2HE LYS 25 -15.527 -4.676 -7.599 167 HZ1 LYS 25 1HZ LYS 25 -14.579 -6.629 -8.377 168 HZ2 LYS 25 2HZ LYS 25 -13.295 -5.766 -7.854 169 HZ3 LYS 25 3HZ LYS 25 -13.870 -7.001 -6.953 170 H ALA 26 H ALA 26 -16.404 -1.754 -1.046 171 HA ALA 26 HA ALA 26 -15.530 -0.730 0.744 172 HB1 ALA 26 1HB ALA 26 -16.684 -3.328 1.449 173 HB2 ALA 26 2HB ALA 26 -15.513 -2.762 2.664 174 HB3 ALA 26 3HB ALA 26 -16.902 -1.740 2.222 175 H GLU 27 H GLU 27 -13.482 -1.613 -1.057 176 HA GLU 27 HA GLU 27 -11.395 -2.083 0.915 177 HB2 GLU 27 1HB GLU 27 -11.958 -3.623 -1.603 178 HB3 GLU 27 2HB GLU 27 -10.277 -3.324 -1.208 179 HG2 GLU 27 1HG GLU 27 -11.963 -4.250 1.078 180 HG3 GLU 27 2HG GLU 27 -11.754 -5.422 -0.208 181 H LEU 28 H LEU 28 -9.719 -0.623 0.781 182 HA LEU 28 HA LEU 28 -9.954 1.491 -1.100 183 HB2 LEU 28 1HB LEU 28 -9.165 1.593 1.311 184 HB3 LEU 28 2HB LEU 28 -7.646 0.920 0.753 185 HG LEU 28 HG LEU 28 -7.779 3.448 1.049 186 HD11 LEU 28 1HD1 LEU 28 -6.829 3.413 -1.628 187 HD12 LEU 28 2HD1 LEU 28 -5.897 3.335 -0.114 188 HD13 LEU 28 3HD1 LEU 28 -6.448 1.835 -0.899 189 HD21 LEU 28 1HD2 LEU 28 -9.985 3.765 0.008 190 HD22 LEU 28 2HD2 LEU 28 -8.727 4.759 -0.765 191 HD23 LEU 28 3HD2 LEU 28 -9.307 3.278 -1.564 192 H PHE 29 H PHE 29 -8.062 2.209 -2.493 193 HA PHE 29 HA PHE 29 -6.439 -0.008 -3.428 194 HB2 PHE 29 1HB PHE 29 -8.482 1.640 -5.024 195 HB3 PHE 29 2HB PHE 29 -7.197 0.756 -5.823 196 HD1 PHE 29 2HD PHE 29 -10.304 0.440 -3.900 197 HD2 PHE 29 1HD PHE 29 -7.264 -1.650 -5.996 198 HE1 PHE 29 2HE PHE 29 -11.731 -1.625 -3.911 199 HE2 PHE 29 1HE PHE 29 -8.691 -3.715 -6.007 200 HZ PHE 29 HZ PHE 29 -10.907 -3.678 -4.964 201 H VAL 30 H VAL 30 -4.447 0.651 -4.262 202 HA VAL 30 HA VAL 30 -4.094 3.551 -4.542 203 HB VAL 30 HB VAL 30 -2.177 1.624 -3.216 204 HG11 VAL 30 1HG1 VAL 30 -1.591 3.987 -4.481 205 HG12 VAL 30 2HG1 VAL 30 -1.856 4.525 -2.804 206 HG13 VAL 30 3HG1 VAL 30 -0.642 3.271 -3.157 207 HG21 VAL 30 1HG2 VAL 30 -3.517 3.843 -1.720 208 HG22 VAL 30 2HG2 VAL 30 -4.445 2.358 -2.042 209 HG23 VAL 30 3HG2 VAL 30 -2.912 2.272 -1.141 210 H THR 31 H THR 31 -4.503 3.023 -6.851 211 HA THR 31 HA THR 31 -2.454 1.402 -8.126 212 HB THR 31 HB THR 31 -3.916 1.998 -10.165 213 HG1 THR 31 1HG THR 31 -5.865 3.143 -9.560 214 HG21 THR 31 1HG2 THR 31 -5.917 0.699 -9.399 215 HG22 THR 31 2HG2 THR 31 -4.406 -0.097 -8.898 216 HG23 THR 31 3HG2 THR 31 -5.351 0.841 -7.717 217 H ARG 32 H ARG 32 -2.051 2.661 -10.535 218 HA ARG 32 HA ARG 32 -0.774 4.108 -11.503 219 HB2 ARG 32 1HB ARG 32 -1.785 6.058 -9.370 220 HB3 ARG 32 2HB ARG 32 -0.918 6.541 -10.814 221 HG2 ARG 32 1HG ARG 32 -3.554 4.996 -10.832 222 HG3 ARG 32 2HG ARG 32 -3.429 6.734 -11.027 223 HD2 ARG 32 1HD ARG 32 -1.586 5.729 -12.905 224 HD3 ARG 32 2HD ARG 32 -2.918 4.594 -12.992 225 HE ARG 32 HE ARG 32 -4.030 7.217 -12.963 226 HH11 ARG 32 2HH2 ARG 32 -2.059 5.189 -15.057 227 HH12 ARG 32 1HH2 ARG 32 -2.592 5.957 -16.516 228 HH21 ARG 32 2HH1 ARG 32 -4.734 8.229 -14.887 229 HH22 ARG 32 1HH1 ARG 32 -4.124 7.697 -16.418 230 H LEU 33 H LEU 33 0.330 2.441 -9.345 231 HA LEU 33 HA LEU 33 2.041 3.953 -7.702 232 HB2 LEU 33 1HB LEU 33 1.300 1.253 -8.070 233 HB3 LEU 33 2HB LEU 33 3.043 1.314 -8.242 234 HG LEU 33 HG LEU 33 3.353 2.158 -6.055 235 HD11 LEU 33 1HD1 LEU 33 1.076 2.520 -4.681 236 HD12 LEU 33 2HD1 LEU 33 1.912 3.828 -5.553 237 HD13 LEU 33 3HD1 LEU 33 0.519 3.009 -6.299 238 HD21 LEU 33 1HD2 LEU 33 1.306 -0.040 -6.218 239 HD22 LEU 33 2HD2 LEU 33 3.045 -0.134 -5.852 240 HD23 LEU 33 3HD2 LEU 33 1.916 0.529 -4.646 241 H GLU 34 H GLU 34 3.385 5.431 -8.654 242 HA GLU 34 HA GLU 34 5.326 4.288 -10.477 243 HB2 GLU 34 1HB GLU 34 3.790 6.875 -10.978 244 HB3 GLU 34 2HB GLU 34 5.200 6.379 -11.892 245 HG2 GLU 34 1HG GLU 34 4.005 4.888 -13.137 246 HG3 GLU 34 2HG GLU 34 3.215 4.215 -11.726 247 H ALA 35 H ALA 35 6.819 4.307 -8.701 248 HA ALA 35 HA ALA 35 7.230 6.572 -7.094 249 HB1 ALA 35 1HB ALA 35 8.854 4.097 -7.757 250 HB2 ALA 35 2HB ALA 35 9.435 5.337 -6.619 251 HB3 ALA 35 3HB ALA 35 7.929 4.451 -6.277 252 H VAL 36 H VAL 36 8.943 8.144 -7.132 253 HA VAL 36 HA VAL 36 10.355 8.335 -9.688 254 HB VAL 36 HB VAL 36 8.585 10.392 -8.386 255 HG11 VAL 36 1HG1 VAL 36 9.714 11.719 -10.508 256 HG12 VAL 36 2HG1 VAL 36 10.180 11.926 -8.802 257 HG13 VAL 36 3HG1 VAL 36 11.105 10.824 -9.850 258 HG21 VAL 36 1HG2 VAL 36 7.529 10.530 -10.529 259 HG22 VAL 36 2HG2 VAL 36 8.806 9.552 -11.291 260 HG23 VAL 36 3HG2 VAL 36 7.686 8.803 -10.128 261 H THR 37 H THR 37 12.011 7.332 -8.191 262 HA THR 37 HA THR 37 13.677 9.418 -7.170 263 HB THR 37 HB THR 37 12.323 9.275 -5.186 264 HG1 THR 37 1HG THR 37 14.624 8.993 -4.792 265 HG21 THR 37 1HG2 THR 37 11.290 7.363 -4.387 266 HG22 THR 37 2HG2 THR 37 11.503 6.792 -6.060 267 HG23 THR 37 3HG2 THR 37 12.677 6.329 -4.806 268 H SER 38 H SER 38 15.702 8.910 -7.708 269 HA SER 38 HA SER 38 16.719 6.346 -7.247 270 HB2 SER 38 1HB SER 38 15.575 5.596 -9.208 271 HB3 SER 38 2HB SER 38 15.953 7.059 -10.096 272 HG SER 38 HG SER 38 17.603 4.800 -9.529 273 H ASN 39 H ASN 39 18.455 7.417 -6.245 274 HA ASN 39 HA ASN 39 20.044 9.050 -8.064 275 HB2 ASN 39 1HB ASN 39 20.811 10.312 -5.994 276 HB3 ASN 39 2HB ASN 39 19.112 10.536 -6.360 277 HD21 ASN 39 1HD2 ASN 39 17.942 10.592 -4.612 278 HD22 ASN 39 2HD2 ASN 39 18.100 9.597 -3.203 279 H HIS 40 H HIS 40 22.459 9.020 -7.417 280 HA HIS 40 HA HIS 40 23.426 6.486 -7.252 281 HB2 HIS 40 1HB HIS 40 25.580 7.621 -6.513 282 HB3 HIS 40 2HB HIS 40 24.872 8.149 -8.026 283 HD1 HIS 40 1HD HIS 40 26.069 10.465 -7.840 284 HD2 HIS 40 2HD HIS 40 23.387 9.644 -4.721 285 HE1 HIS 40 1HE HIS 40 25.707 12.671 -6.610 286 H ASP 41 H ASP 41 24.735 5.424 -5.490 287 HA ASP 41 HA ASP 41 25.043 4.715 -3.454 288 HB2 ASP 41 1HB ASP 41 24.652 7.412 -2.985 289 HB3 ASP 41 2HB ASP 41 23.358 6.721 -2.026 290 H GLY 42 H GLY 42 23.786 3.479 -1.767 291 HA2 GLY 42 1HA GLY 42 22.073 2.137 -1.198 292 HA3 GLY 42 2HA GLY 42 21.079 3.575 -1.328 293 H GLY 43 H GLY 43 19.269 2.340 -2.131 294 HA2 GLY 43 1HA GLY 43 18.155 2.238 -4.270 295 HA3 GLY 43 2HA GLY 43 19.603 1.529 -4.956 296 H CYS 44 H CYS 44 19.471 -0.639 -5.301 297 HA CYS 44 HA CYS 44 19.088 -2.778 -4.939 298 HB2 CYS 44 1HB CYS 44 19.521 -2.009 -2.412 299 HB3 CYS 44 2HB CYS 44 17.830 -2.439 -2.246 300 HG CYS 44 HG CYS 44 18.940 -4.607 -4.105 301 H ASP 45 H ASP 45 16.994 -4.290 -4.213 302 HA ASP 45 HA ASP 45 14.992 -3.528 -5.926 303 HB2 ASP 45 1HB ASP 45 14.611 -5.370 -3.529 304 HB3 ASP 45 2HB ASP 45 13.762 -5.439 -5.061 305 H CYS 46 H CYS 46 13.177 -2.194 -5.642 306 HA CYS 46 HA CYS 46 12.555 -1.438 -2.880 307 HB2 CYS 46 1HB CYS 46 12.130 0.800 -3.530 308 HB3 CYS 46 2HB CYS 46 13.676 0.379 -4.240 309 HG CYS 46 HG CYS 46 12.830 -0.185 -6.612 310 H TYR 47 H TYR 47 10.194 -0.800 -2.614 311 HA TYR 47 HA TYR 47 8.385 -1.576 -4.699 312 HB2 TYR 47 1HB TYR 47 7.369 -3.343 -3.083 313 HB3 TYR 47 2HB TYR 47 8.904 -3.797 -3.795 314 HD1 TYR 47 2HD TYR 47 11.048 -3.249 -2.387 315 HD2 TYR 47 1HD TYR 47 7.095 -3.425 -0.760 316 HE1 TYR 47 2HE TYR 47 12.012 -3.609 -0.062 317 HE2 TYR 47 1HE TYR 47 8.073 -3.784 1.559 318 HH TYR 47 HH TYR 47 11.522 -4.277 2.004 319 H VAL 48 H VAL 48 6.137 -1.073 -4.150 320 HA VAL 48 HA VAL 48 6.046 1.037 -2.155 321 HB VAL 48 HB VAL 48 3.857 0.216 -4.051 322 HG11 VAL 48 1HG1 VAL 48 2.918 2.260 -3.628 323 HG12 VAL 48 2HG1 VAL 48 3.750 2.003 -2.075 324 HG13 VAL 48 3HG1 VAL 48 4.485 3.045 -3.317 325 HG21 VAL 48 1HG2 VAL 48 6.493 1.223 -4.746 326 HG22 VAL 48 2HG2 VAL 48 5.167 0.679 -5.801 327 HG23 VAL 48 3HG2 VAL 48 5.216 2.365 -5.230 328 H GLN 49 H GLN 49 4.652 1.034 -0.359 329 HA GLN 49 HA GLN 49 3.135 -1.406 0.029 330 HB2 GLN 49 1HB GLN 49 5.288 -1.777 1.174 331 HB3 GLN 49 2HB GLN 49 5.125 -0.260 2.036 332 HG2 GLN 49 1HG GLN 49 2.785 -1.335 2.802 333 HG3 GLN 49 2HG GLN 49 3.603 -2.838 2.423 334 HE21 GLN 49 1HE2 GLN 49 2.726 -1.401 4.952 335 HE22 GLN 49 2HE2 GLN 49 4.100 -1.452 6.006 336 H GLY 50 H GLY 50 1.065 -0.894 0.596 337 HA2 GLY 50 1HA GLY 50 0.576 1.820 1.630 338 HA3 GLY 50 2HA GLY 50 -0.571 0.802 0.781 339 H SER 51 H SER 51 -0.260 2.137 3.662 340 HA SER 51 HA SER 51 -1.209 -0.257 5.027 341 HB2 SER 51 1HB SER 51 -0.237 0.790 7.151 342 HB3 SER 51 2HB SER 51 0.929 0.152 6.009 343 HG SER 51 HG SER 51 1.026 2.441 5.141 344 H VAL 52 H VAL 52 -3.174 -0.008 6.106 345 HA VAL 52 HA VAL 52 -4.176 2.743 6.331 346 HB VAL 52 HB VAL 52 -5.224 0.459 4.848 347 HG11 VAL 52 1HG1 VAL 52 -7.145 1.942 6.674 348 HG12 VAL 52 2HG1 VAL 52 -7.567 0.726 5.444 349 HG13 VAL 52 3HG1 VAL 52 -6.628 0.251 6.880 350 HG21 VAL 52 1HG2 VAL 52 -4.754 2.723 3.926 351 HG22 VAL 52 2HG2 VAL 52 -6.428 2.185 3.647 352 HG23 VAL 52 3HG2 VAL 52 -6.076 3.372 4.926 353 H ALA 53 H ALA 53 -5.271 3.240 8.242 354 HA ALA 53 HA ALA 53 -5.322 1.052 10.208 355 HB1 ALA 53 1HB ALA 53 -5.073 3.058 11.847 356 HB2 ALA 53 2HB ALA 53 -3.636 2.525 10.942 357 HB3 ALA 53 3HB ALA 53 -4.536 3.967 10.415 358 H ASN 54 H ASN 54 -7.364 0.439 10.693 359 HA ASN 54 HA ASN 54 -9.416 2.484 10.388 360 HB2 ASN 54 1HB ASN 54 -10.808 0.108 10.566 361 HB3 ASN 54 2HB ASN 54 -10.311 0.832 9.050 362 HD21 ASN 54 1HD2 ASN 54 -8.621 0.008 7.891 363 HD22 ASN 54 2HD2 ASN 54 -7.867 -1.516 8.222 364 H ARG 55 H ARG 55 -11.311 2.199 12.016 365 HA ARG 55 HA ARG 55 -10.332 2.254 14.574 366 HB2 ARG 55 1HB ARG 55 -12.873 2.573 13.247 367 HB3 ARG 55 2HB ARG 55 -13.136 1.510 14.615 368 HG2 ARG 55 1HG ARG 55 -12.223 3.136 16.171 369 HG3 ARG 55 2HG ARG 55 -11.605 4.134 14.870 370 HD2 ARG 55 1HD ARG 55 -13.609 5.192 14.597 371 HD3 ARG 55 2HD ARG 55 -14.491 3.679 14.562 372 HE ARG 55 HE ARG 55 -13.732 4.055 17.250 373 HH11 ARG 55 2HH2 ARG 55 -15.693 5.748 14.869 374 HH12 ARG 55 1HH2 ARG 55 -16.748 6.451 16.050 375 HH21 ARG 55 2HH1 ARG 55 -15.123 4.982 18.808 376 HH22 ARG 55 1HH1 ARG 55 -16.421 6.012 18.305 377 H THR 56 H THR 56 -10.967 -0.436 12.519 378 HA THR 56 HA THR 56 -11.565 -2.268 14.697 379 HB THR 56 HB THR 56 -11.753 -3.889 12.780 380 HG1 THR 56 1HG THR 56 -11.319 -2.926 10.663 381 HG21 THR 56 1HG2 THR 56 -13.383 -2.348 11.317 382 HG22 THR 56 2HG2 THR 56 -13.856 -2.837 12.962 383 HG23 THR 56 3HG2 THR 56 -13.177 -1.216 12.676 384 H GLY 57 H GLY 57 -8.844 -1.218 12.666 385 HA2 GLY 57 1HA GLY 57 -6.900 -2.114 14.425 386 HA3 GLY 57 2HA GLY 57 -7.143 -3.408 13.268 387 H SER 58 H SER 58 -5.660 -3.346 11.644 388 HA SER 58 HA SER 58 -5.400 -0.963 10.135 389 HB2 SER 58 1HB SER 58 -2.863 -0.872 10.404 390 HB3 SER 58 2HB SER 58 -3.790 -0.296 11.775 391 HG SER 58 HG SER 58 -1.898 -2.128 11.847 392 H VAL 59 H VAL 59 -4.507 -1.410 8.033 393 HA VAL 59 HA VAL 59 -3.880 -4.251 7.606 394 HB VAL 59 HB VAL 59 -4.809 -3.581 5.227 395 HG11 VAL 59 1HG1 VAL 59 -5.838 -4.918 7.524 396 HG12 VAL 59 2HG1 VAL 59 -7.174 -4.001 6.787 397 HG13 VAL 59 3HG1 VAL 59 -6.255 -5.173 5.813 398 HG21 VAL 59 1HG2 VAL 59 -5.244 -1.251 5.653 399 HG22 VAL 59 2HG2 VAL 59 -6.805 -2.087 5.472 400 HG23 VAL 59 3HG2 VAL 59 -6.216 -1.644 7.092 401 H GLU 60 H GLU 60 -2.556 -4.570 5.517 402 HA GLU 60 HA GLU 60 -1.022 -2.305 4.731 403 HB2 GLU 60 1HB GLU 60 0.231 -4.517 6.404 404 HB3 GLU 60 2HB GLU 60 1.186 -3.487 5.355 405 HG2 GLU 60 1HG GLU 60 -0.029 -1.499 6.598 406 HG3 GLU 60 2HG GLU 60 -0.420 -2.704 7.809 407 H ALA 61 H ALA 61 0.119 -2.688 2.745 408 HA ALA 61 HA ALA 61 0.174 -5.381 1.710 409 HB1 ALA 61 1HB ALA 61 -1.970 -5.057 0.911 410 HB2 ALA 61 2HB ALA 61 -1.785 -3.289 0.818 411 HB3 ALA 61 3HB ALA 61 -1.041 -4.327 -0.421 412 H GLN 62 H GLN 62 1.192 -5.301 -0.600 413 HA GLN 62 HA GLN 62 2.630 -2.943 -1.204 414 HB2 GLN 62 1HB GLN 62 4.916 -4.129 -0.984 415 HB3 GLN 62 2HB GLN 62 4.176 -3.536 0.490 416 HG2 GLN 62 1HG GLN 62 4.353 -5.634 1.333 417 HG3 GLN 62 2HG GLN 62 3.111 -6.131 0.201 418 HE21 GLN 62 1HE2 GLN 62 3.889 -8.138 -0.187 419 HE22 GLN 62 2HE2 GLN 62 5.360 -8.481 -1.033 420 H THR 63 H THR 63 4.132 -3.354 -3.166 421 HA THR 63 HA THR 63 2.874 -5.440 -4.812 422 HB THR 63 HB THR 63 3.633 -3.942 -6.698 423 HG1 THR 63 1HG THR 63 5.443 -3.047 -5.412 424 HG21 THR 63 1HG2 THR 63 1.473 -3.468 -5.052 425 HG22 THR 63 2HG2 THR 63 2.387 -1.955 -4.841 426 HG23 THR 63 3HG2 THR 63 1.867 -2.462 -6.466 427 H ALA 64 H ALA 64 4.501 -6.056 -6.737 428 HA ALA 64 HA ALA 64 6.455 -7.629 -5.508 429 HB1 ALA 64 1HB ALA 64 5.314 -8.112 -7.671 430 HB2 ALA 64 2HB ALA 64 6.209 -6.767 -8.419 431 HB3 ALA 64 3HB ALA 64 7.087 -8.188 -7.805 432 H LEU 65 H LEU 65 8.851 -7.548 -6.006 433 HA LEU 65 HA LEU 65 9.772 -4.871 -5.449 434 HB2 LEU 65 1HB LEU 65 10.881 -7.631 -5.289 435 HB3 LEU 65 2HB LEU 65 12.012 -6.304 -5.469 436 HG LEU 65 HG LEU 65 10.299 -5.454 -3.432 437 HD11 LEU 65 1HD1 LEU 65 9.599 -7.980 -3.510 438 HD12 LEU 65 2HD1 LEU 65 11.129 -8.221 -2.634 439 HD13 LEU 65 3HD1 LEU 65 9.871 -7.162 -1.953 440 HD21 LEU 65 1HD2 LEU 65 12.316 -5.989 -1.971 441 HD22 LEU 65 2HD2 LEU 65 13.075 -6.639 -3.443 442 HD23 LEU 65 3HD2 LEU 65 12.591 -4.928 -3.373 443 H LYS 66 H LYS 66 10.952 -3.552 -6.811 444 HA LYS 66 HA LYS 66 11.569 -4.669 -9.450 445 HB2 LYS 66 1HB LYS 66 10.131 -2.066 -8.866 446 HB3 LYS 66 2HB LYS 66 10.833 -2.465 -10.421 447 HG2 LYS 66 1HG LYS 66 9.300 -4.748 -9.655 448 HG3 LYS 66 2HG LYS 66 8.306 -3.357 -9.269 449 HD2 LYS 66 1HD LYS 66 9.297 -2.645 -11.760 450 HD3 LYS 66 2HD LYS 66 9.170 -4.385 -11.924 451 HE2 LYS 66 1HE LYS 66 6.763 -4.018 -10.832 452 HE3 LYS 66 2HE LYS 66 6.977 -2.369 -11.386 453 HZ1 LYS 66 1HZ LYS 66 7.640 -4.364 -13.328 454 HZ2 LYS 66 2HZ LYS 66 6.065 -4.348 -12.897 455 HZ3 LYS 66 3HZ LYS 66 6.761 -2.998 -13.495 456 H LYS 67 H LYS 67 13.187 -3.228 -10.647 457 HA LYS 67 HA LYS 67 15.300 -2.643 -8.787 458 HB2 LYS 67 1HB LYS 67 16.079 -3.789 -10.643 459 HB3 LYS 67 2HB LYS 67 15.044 -2.924 -11.761 460 HG2 LYS 67 1HG LYS 67 16.568 -1.249 -12.061 461 HG3 LYS 67 2HG LYS 67 16.895 -1.115 -10.345 462 HD2 LYS 67 1HD LYS 67 18.937 -1.842 -11.476 463 HD3 LYS 67 2HD LYS 67 18.352 -3.156 -10.474 464 HE2 LYS 67 1HE LYS 67 17.080 -3.918 -12.676 465 HE3 LYS 67 2HE LYS 67 18.240 -2.889 -13.493 466 HZ1 LYS 67 1HZ LYS 67 19.983 -4.137 -12.289 467 HZ2 LYS 67 2HZ LYS 67 18.841 -5.174 -11.753 468 HZ3 LYS 67 3HZ LYS 67 19.138 -5.043 -13.353 469 H ARG 68 H ARG 68 15.707 -0.694 -7.897 470 HA ARG 68 HA ARG 68 14.116 1.414 -8.071 471 HB2 ARG 68 1HB ARG 68 16.102 1.103 -6.517 472 HB3 ARG 68 2HB ARG 68 17.161 1.603 -7.821 473 HG2 ARG 68 1HG ARG 68 16.866 3.713 -6.997 474 HG3 ARG 68 2HG ARG 68 15.324 3.666 -7.828 475 HD2 ARG 68 1HD ARG 68 14.113 3.376 -5.871 476 HD3 ARG 68 2HD ARG 68 15.358 2.405 -5.112 477 HE ARG 68 HE ARG 68 16.413 5.025 -5.378 478 HH11 ARG 68 2HH2 ARG 68 13.800 3.409 -3.662 479 HH12 ARG 68 1HH2 ARG 68 13.800 4.532 -2.343 480 HH21 ARG 68 2HH1 ARG 68 16.413 6.507 -3.638 481 HH22 ARG 68 1HH1 ARG 68 15.297 6.306 -2.330 482 H GLN 69 H GLN 69 13.478 2.761 -9.725 483 HA GLN 69 HA GLN 69 15.493 3.399 -11.725 484 HB2 GLN 69 1HB GLN 69 12.678 2.370 -12.175 485 HB3 GLN 69 2HB GLN 69 13.443 3.390 -13.377 486 HG2 GLN 69 1HG GLN 69 14.793 0.891 -12.270 487 HG3 GLN 69 2HG GLN 69 13.738 0.842 -13.668 488 HE21 GLN 69 1HE2 GLN 69 16.462 0.140 -13.639 489 HE22 GLN 69 2HE2 GLN 69 17.343 1.213 -14.676 490 H LEU 70 H LEU 70 14.691 5.379 -13.114 491 HA LEU 70 HA LEU 70 14.138 7.458 -11.284 492 HB2 LEU 70 1HB LEU 70 15.053 7.146 -13.976 493 HB3 LEU 70 2HB LEU 70 13.749 8.317 -13.963 494 HG LEU 70 HG LEU 70 15.664 9.610 -13.698 495 HD11 LEU 70 1HD1 LEU 70 15.244 10.774 -11.788 496 HD12 LEU 70 2HD1 LEU 70 13.795 9.741 -11.810 497 HD13 LEU 70 3HD1 LEU 70 15.177 9.314 -10.772 498 HD21 LEU 70 1HD2 LEU 70 17.628 8.807 -13.051 499 HD22 LEU 70 2HD2 LEU 70 17.008 8.459 -11.419 500 HD23 LEU 70 3HD2 LEU 70 16.830 7.251 -12.714 501 H HIS 71 H HIS 71 12.150 5.187 -12.948 502 HA HIS 71 HA HIS 71 9.825 6.462 -11.917 503 HB2 HIS 71 1HB HIS 71 10.430 7.545 -14.241 504 HB3 HIS 71 2HB HIS 71 9.747 6.068 -14.892 505 HD1 HIS 71 1HD HIS 71 8.037 8.089 -15.837 506 HD2 HIS 71 2HD HIS 71 7.711 6.919 -11.822 507 HE1 HIS 71 1HE HIS 71 5.738 8.867 -15.050 508 H THR 72 H THR 72 10.048 4.377 -10.762 509 HA THR 72 HA THR 72 9.748 1.968 -12.306 510 HB THR 72 HB THR 72 9.697 2.596 -9.308 511 HG1 THR 72 1HG THR 72 11.715 2.967 -10.511 512 HG21 THR 72 1HG2 THR 72 10.055 0.217 -8.954 513 HG22 THR 72 2HG2 THR 72 8.612 0.358 -9.986 514 HG23 THR 72 3HG2 THR 72 10.180 -0.082 -10.704 515 H THR 73 H THR 73 7.927 1.094 -13.055 516 HA THR 73 HA THR 73 5.424 1.934 -11.746 517 HB THR 73 HB THR 73 4.449 1.757 -14.098 518 HG1 THR 73 1HG THR 73 5.901 0.779 -15.453 519 HG21 THR 73 1HG2 THR 73 6.758 3.629 -14.460 520 HG22 THR 73 2HG2 THR 73 5.014 3.940 -14.634 521 HG23 THR 73 3HG2 THR 73 5.758 3.922 -13.017 522 H TRP 74 H TRP 74 3.960 0.377 -11.209 523 HA TRP 74 HA TRP 74 4.894 -2.363 -11.657 524 HB2 TRP 74 1HB TRP 74 3.102 -1.127 -9.569 525 HB3 TRP 74 2HB TRP 74 3.235 -2.859 -9.801 526 HD1 TRP 74 HD TRP 74 5.358 -4.041 -8.716 527 HE1 TRP 74 1HE TRP 74 7.427 -3.310 -7.250 528 HE3 TRP 74 3HE TRP 74 4.693 0.962 -9.331 529 HZ2 TRP 74 2HZ TRP 74 8.528 -0.778 -6.528 530 HZ3 TRP 74 3HZ TRP 74 6.309 2.495 -8.212 531 HH2 TRP 74 HH TRP 74 8.175 1.698 -6.849 532 H GLU 75 H GLU 75 2.885 -3.962 -11.795 533 HA GLU 75 HA GLU 75 1.311 -2.937 -13.977 534 HB2 GLU 75 1HB GLU 75 1.939 -5.684 -12.885 535 HB3 GLU 75 2HB GLU 75 0.542 -5.481 -13.923 536 HG2 GLU 75 1HG GLU 75 1.818 -5.059 -15.801 537 HG3 GLU 75 2HG GLU 75 3.034 -4.166 -14.909 538 H GLU 76 H GLU 76 1.014 -3.933 -10.582 539 HA GLU 76 HA GLU 76 -1.808 -3.226 -10.765 540 HB2 GLU 76 1HB GLU 76 -2.386 -4.962 -9.172 541 HB3 GLU 76 2HB GLU 76 -1.489 -5.705 -10.481 542 HG2 GLU 76 1HG GLU 76 0.628 -5.366 -9.010 543 HG3 GLU 76 2HG GLU 76 -0.474 -5.007 -7.695 544 H GLY 77 H GLY 77 -2.722 -2.410 -8.645 545 HA2 GLY 77 1HA GLY 77 -0.646 -0.866 -7.233 546 HA3 GLY 77 2HA GLY 77 -2.338 -0.437 -7.392 547 H LEU 78 H LEU 78 -1.916 -0.197 -4.919 548 HA LEU 78 HA LEU 78 -2.071 -2.784 -3.578 549 HB2 LEU 78 1HB LEU 78 -1.829 -0.073 -2.292 550 HB3 LEU 78 2HB LEU 78 -1.490 -1.643 -1.592 551 HG LEU 78 HG LEU 78 0.106 -0.646 -3.944 552 HD11 LEU 78 1HD1 LEU 78 0.419 1.183 -2.541 553 HD12 LEU 78 2HD1 LEU 78 0.364 0.190 -1.064 554 HD13 LEU 78 3HD1 LEU 78 1.784 0.116 -2.134 555 HD21 LEU 78 1HD2 LEU 78 1.861 -2.073 -2.883 556 HD22 LEU 78 2HD2 LEU 78 0.643 -2.607 -1.700 557 HD23 LEU 78 3HD2 LEU 78 0.419 -2.962 -3.430 558 H VAL 79 H VAL 79 -3.640 -2.740 -1.574 559 HA VAL 79 HA VAL 79 -5.948 -1.124 -1.805 560 HB VAL 79 HB VAL 79 -6.817 -2.254 -3.551 561 HG11 VAL 79 1HG1 VAL 79 -4.889 -3.605 -4.062 562 HG12 VAL 79 2HG1 VAL 79 -5.221 -4.687 -2.689 563 HG13 VAL 79 3HG1 VAL 79 -6.328 -4.653 -4.083 564 HG21 VAL 79 1HG2 VAL 79 -8.582 -3.453 -2.782 565 HG22 VAL 79 2HG2 VAL 79 -7.559 -4.565 -1.840 566 HG23 VAL 79 3HG2 VAL 79 -7.950 -2.953 -1.195 567 H LEU 80 H LEU 80 -6.546 -0.885 0.281 568 HA LEU 80 HA LEU 80 -6.033 -3.168 2.058 569 HB2 LEU 80 1HB LEU 80 -5.874 -0.197 2.514 570 HB3 LEU 80 2HB LEU 80 -6.022 -1.332 3.840 571 HG LEU 80 HG LEU 80 -3.756 -1.068 3.787 572 HD11 LEU 80 1HD1 LEU 80 -2.765 -3.049 3.081 573 HD12 LEU 80 2HD1 LEU 80 -4.479 -3.492 3.264 574 HD13 LEU 80 3HD1 LEU 80 -3.808 -3.181 1.645 575 HD21 LEU 80 1HD2 LEU 80 -3.266 -1.174 0.871 576 HD22 LEU 80 2HD2 LEU 80 -4.143 0.258 1.463 577 HD23 LEU 80 3HD2 LEU 80 -2.542 -0.144 2.129 578 HA PRO 81 HA PRO 81 -10.310 -3.253 2.682 579 HB2 PRO 81 1HB PRO 81 -10.428 -4.830 4.911 580 HB3 PRO 81 2HB PRO 81 -10.240 -5.473 3.292 581 HG2 PRO 81 1HG PRO 81 -8.214 -5.212 5.429 582 HG3 PRO 81 2HG PRO 81 -8.171 -6.214 3.992 583 HD2 PRO 81 1HD PRO 81 -6.763 -3.750 4.410 584 HD3 PRO 81 2HD PRO 81 -6.812 -4.692 2.933 585 H LEU 82 H LEU 82 -11.736 -1.773 3.331 586 HA LEU 82 HA LEU 82 -11.546 -0.905 6.069 587 HB2 LEU 82 1HB LEU 82 -9.912 0.556 5.168 588 HB3 LEU 82 2HB LEU 82 -10.898 0.927 3.767 589 HG LEU 82 HG LEU 82 -12.571 1.969 5.415 590 HD11 LEU 82 1HD1 LEU 82 -11.516 2.816 7.524 591 HD12 LEU 82 2HD1 LEU 82 -11.810 1.061 7.488 592 HD13 LEU 82 3HD1 LEU 82 -10.166 1.693 7.231 593 HD21 LEU 82 1HD2 LEU 82 -10.690 3.060 3.888 594 HD22 LEU 82 2HD2 LEU 82 -11.681 4.026 5.008 595 HD23 LEU 82 3HD2 LEU 82 -10.034 3.535 5.472 596 H ALA 83 H ALA 83 -13.454 0.414 6.687 597 HA ALA 83 HA ALA 83 -15.698 -0.244 4.914 598 HB1 ALA 83 1HB ALA 83 -16.928 -0.703 6.788 599 HB2 ALA 83 2HB ALA 83 -15.317 -0.983 7.493 600 HB3 ALA 83 3HB ALA 83 -16.142 0.574 7.747 601 H GLU 84 H GLU 84 -17.118 1.367 4.228 602 HA GLU 84 HA GLU 84 -16.106 3.892 3.959 603 HB2 GLU 84 1HB GLU 84 -17.991 2.740 2.648 604 HB3 GLU 84 2HB GLU 84 -19.072 3.205 3.946 605 HG2 GLU 84 1HG GLU 84 -17.947 5.623 3.521 606 HG3 GLU 84 2HG GLU 84 -17.661 4.945 1.931 607 H GLU 85 H GLU 85 -17.666 2.399 6.696 608 HA GLU 85 HA GLU 85 -18.551 4.877 7.803 609 HB2 GLU 85 1HB GLU 85 -19.513 3.583 9.519 610 HB3 GLU 85 2HB GLU 85 -19.592 2.512 8.134 611 HG2 GLU 85 1HG GLU 85 -17.189 1.720 8.998 612 HG3 GLU 85 2HG GLU 85 -17.740 2.392 10.520 613 H GLU 86 H GLU 86 -15.552 3.369 7.424 614 HA GLU 86 HA GLU 86 -14.568 4.655 9.851 615 HB2 GLU 86 1HB GLU 86 -13.210 2.367 8.371 616 HB3 GLU 86 2HB GLU 86 -12.784 3.011 9.944 617 HG2 GLU 86 1HG GLU 86 -15.478 2.361 10.279 618 HG3 GLU 86 2HG GLU 86 -14.918 1.089 9.211 619 H LEU 87 H LEU 87 -14.981 5.257 6.691 620 HA LEU 87 HA LEU 87 -12.456 5.737 5.645 621 HB2 LEU 87 1HB LEU 87 -15.224 6.703 5.122 622 HB3 LEU 87 2HB LEU 87 -13.899 7.592 4.398 623 HG LEU 87 HG LEU 87 -14.260 4.605 4.064 624 HD11 LEU 87 1HD1 LEU 87 -14.937 6.432 1.824 625 HD12 LEU 87 2HD1 LEU 87 -15.637 4.863 2.288 626 HD13 LEU 87 3HD1 LEU 87 -16.103 6.340 3.165 627 HD21 LEU 87 1HD2 LEU 87 -12.078 6.231 3.538 628 HD22 LEU 87 2HD2 LEU 87 -12.390 4.617 2.856 629 HD23 LEU 87 3HD2 LEU 87 -12.880 6.074 1.957 630 HA PRO 88 HA PRO 88 -12.808 9.994 7.674 631 HB2 PRO 88 1HB PRO 88 -14.740 10.458 9.550 632 HB3 PRO 88 2HB PRO 88 -14.916 10.902 7.864 633 HG2 PRO 88 1HG PRO 88 -16.162 8.657 9.330 634 HG3 PRO 88 2HG PRO 88 -16.635 9.366 7.799 635 HD2 PRO 88 1HD PRO 88 -15.240 6.890 8.186 636 HD3 PRO 88 2HD PRO 88 -15.611 7.655 6.654 637 H THR 89 H THR 89 -12.975 7.048 9.222 638 HA THR 89 HA THR 89 -11.338 8.146 11.414 639 HB THR 89 HB THR 89 -12.388 6.552 12.888 640 HG1 THR 89 1HG THR 89 -12.421 4.716 11.506 641 HG21 THR 89 1HG2 THR 89 -14.897 6.803 11.384 642 HG22 THR 89 2HG2 THR 89 -14.461 7.518 12.954 643 HG23 THR 89 3HG2 THR 89 -14.034 8.358 11.444 644 H ALA 90 H ALA 90 -10.566 7.242 8.653 645 HA ALA 90 HA ALA 90 -8.559 5.350 9.576 646 HB1 ALA 90 1HB ALA 90 -10.407 3.970 8.665 647 HB2 ALA 90 2HB ALA 90 -10.318 4.875 7.135 648 HB3 ALA 90 3HB ALA 90 -8.946 3.866 7.654 649 H THR 91 H THR 91 -6.644 5.344 8.189 650 HA THR 91 HA THR 91 -6.592 7.455 6.167 651 HB THR 91 HB THR 91 -4.633 7.253 8.514 652 HG1 THR 91 1HG THR 91 -6.818 9.062 7.752 653 HG21 THR 91 1HG2 THR 91 -5.071 9.574 6.586 654 HG22 THR 91 2HG2 THR 91 -3.707 9.310 7.699 655 HG23 THR 91 3HG2 THR 91 -3.871 8.306 6.239 656 H LEU 92 H LEU 92 -4.764 7.301 4.695 657 HA LEU 92 HA LEU 92 -3.763 4.540 4.617 658 HB2 LEU 92 1HB LEU 92 -5.290 4.953 2.825 659 HB3 LEU 92 2HB LEU 92 -4.493 6.456 2.404 660 HG LEU 92 HG LEU 92 -4.098 4.072 1.154 661 HD11 LEU 92 1HD1 LEU 92 -2.338 5.132 -0.031 662 HD12 LEU 92 2HD1 LEU 92 -3.470 6.415 0.459 663 HD13 LEU 92 3HD1 LEU 92 -1.945 6.186 1.348 664 HD21 LEU 92 1HD2 LEU 92 -2.125 3.002 1.775 665 HD22 LEU 92 2HD2 LEU 92 -1.595 4.355 2.804 666 HD23 LEU 92 3HD2 LEU 92 -2.939 3.312 3.328 667 H THR 93 H THR 93 -1.689 4.420 5.277 668 HA THR 93 HA THR 93 0.029 6.743 4.722 669 HB THR 93 HB THR 93 -0.032 4.578 6.868 670 HG1 THR 93 1HG THR 93 0.024 6.656 8.090 671 HG21 THR 93 1HG2 THR 93 2.049 5.916 7.720 672 HG22 THR 93 2HG2 THR 93 2.329 4.698 6.452 673 HG23 THR 93 3HG2 THR 93 2.244 6.424 6.025 674 H LEU 94 H LEU 94 1.050 6.533 2.820 675 HA LEU 94 HA LEU 94 1.712 3.923 1.836 676 HB2 LEU 94 1HB LEU 94 1.395 6.573 0.804 677 HB3 LEU 94 2HB LEU 94 2.977 5.976 0.343 678 HG LEU 94 HG LEU 94 1.968 4.000 -0.692 679 HD11 LEU 94 1HD1 LEU 94 -0.692 4.375 -0.984 680 HD12 LEU 94 2HD1 LEU 94 0.039 3.342 0.269 681 HD13 LEU 94 3HD1 LEU 94 -0.463 5.003 0.666 682 HD21 LEU 94 1HD2 LEU 94 1.339 6.763 -1.532 683 HD22 LEU 94 2HD2 LEU 94 2.177 5.453 -2.398 684 HD23 LEU 94 3HD2 LEU 94 0.399 5.482 -2.333 685 H THR 95 H THR 95 3.789 3.012 1.599 686 HA THR 95 HA THR 95 6.011 4.480 2.789 687 HB THR 95 HB THR 95 6.191 1.848 3.834 688 HG1 THR 95 1HG THR 95 3.937 1.537 3.455 689 HG21 THR 95 1HG2 THR 95 5.765 2.919 6.016 690 HG22 THR 95 2HG2 THR 95 6.783 4.002 5.036 691 HG23 THR 95 3HG2 THR 95 5.042 4.332 5.211 692 H LEU 96 H LEU 96 8.065 3.828 2.065 693 HA LEU 96 HA LEU 96 7.978 1.828 -0.081 694 HB2 LEU 96 1HB LEU 96 8.366 4.614 -0.358 695 HB3 LEU 96 2HB LEU 96 9.932 3.867 -0.602 696 HG LEU 96 HG LEU 96 7.561 2.735 -2.046 697 HD11 LEU 96 1HD1 LEU 96 7.604 5.302 -2.242 698 HD12 LEU 96 2HD1 LEU 96 9.081 5.063 -3.206 699 HD13 LEU 96 3HD1 LEU 96 7.544 4.340 -3.739 700 HD21 LEU 96 1HD2 LEU 96 10.535 2.893 -2.497 701 HD22 LEU 96 2HD2 LEU 96 9.482 1.462 -2.390 702 HD23 LEU 96 3HD2 LEU 96 9.412 2.513 -3.825 703 H ARG 97 H ARG 97 9.025 0.119 0.830 704 HA ARG 97 HA ARG 97 11.347 0.739 2.438 705 HB2 ARG 97 1HB ARG 97 9.550 -1.687 2.135 706 HB3 ARG 97 2HB ARG 97 11.158 -1.897 2.800 707 HG2 ARG 97 1HG ARG 97 10.247 -1.329 4.807 708 HG3 ARG 97 2HG ARG 97 10.237 0.319 4.212 709 HD2 ARG 97 1HD ARG 97 7.931 -0.077 3.250 710 HD3 ARG 97 2HD ARG 97 7.945 -1.687 3.944 711 HE ARG 97 HE ARG 97 7.443 0.784 5.364 712 HH11 ARG 97 2HH2 ARG 97 8.882 -2.404 5.750 713 HH12 ARG 97 1HH2 ARG 97 8.639 -2.446 7.465 714 HH21 ARG 97 2HH1 ARG 97 7.122 0.729 7.625 715 HH22 ARG 97 1HH1 ARG 97 7.631 -0.652 8.538 716 H THR 98 H THR 98 13.451 0.050 1.852 717 HA THR 98 HA THR 98 13.657 -1.058 -0.862 718 HB THR 98 HB THR 98 16.079 -0.083 -0.502 719 HG1 THR 98 1HG THR 98 15.776 1.719 1.169 720 HG21 THR 98 1HG2 THR 98 15.420 2.051 -1.302 721 HG22 THR 98 2HG2 THR 98 14.036 1.038 -1.777 722 HG23 THR 98 3HG2 THR 98 13.933 2.060 -0.324 723 H CYS 99 H CYS 99 14.443 -3.046 -1.225 724 HA CYS 99 HA CYS 99 14.653 -4.902 0.720 725 HB2 CYS 99 1HB CYS 99 14.517 -5.602 -1.551 726 HB3 CYS 99 2HB CYS 99 15.991 -4.762 -1.990 727 HG CYS 99 HG CYS 99 15.430 -7.590 -0.527 728 H ASP 100 H ASP 100 16.485 -5.917 1.835 729 HA ASP 100 HA ASP 100 18.103 -4.311 3.160 730 HB2 ASP 100 1HB ASP 100 18.699 -7.117 2.123 731 HB3 ASP 100 2HB ASP 100 19.715 -6.320 3.307 732 H ARG 101 H ARG 101 20.182 -3.324 2.863 733 HA ARG 101 HA ARG 101 21.866 -4.034 0.765 734 HB2 ARG 101 1HB ARG 101 19.898 -2.687 -0.377 735 HB3 ARG 101 2HB ARG 101 20.648 -1.278 0.346 736 HG2 ARG 101 1HG ARG 101 22.817 -2.648 -0.805 737 HG3 ARG 101 2HG ARG 101 21.527 -2.884 -1.967 738 HD2 ARG 101 1HD ARG 101 21.124 -0.437 -2.069 739 HD3 ARG 101 2HD ARG 101 22.331 -0.163 -0.829 740 HE ARG 101 HE ARG 101 24.037 -0.518 -2.414 741 HH11 ARG 101 2HH2 ARG 101 20.936 -1.508 -3.749 742 HH12 ARG 101 1HH2 ARG 101 21.546 -1.700 -5.359 743 HH21 ARG 101 2HH1 ARG 101 24.842 -0.771 -4.538 744 HH22 ARG 101 1HH1 ARG 101 23.783 -1.278 -5.810 745 H PHE 102 H PHE 102 20.814 -0.891 2.293 746 HA PHE 102 HA PHE 102 23.541 -0.652 3.344 747 HB2 PHE 102 1HB PHE 102 21.365 1.204 2.325 748 HB3 PHE 102 2HB PHE 102 22.411 1.834 3.582 749 HD1 PHE 102 2HD PHE 102 23.581 -0.529 1.012 750 HD2 PHE 102 1HD PHE 102 23.418 3.532 2.233 751 HE1 PHE 102 2HE PHE 102 25.303 0.060 -0.717 752 HE2 PHE 102 1HE PHE 102 25.140 4.121 0.505 753 HZ PHE 102 HZ PHE 102 26.062 2.378 -0.949 754 H SER 103 H SER 103 20.030 -0.232 4.095 755 HA SER 103 HA SER 103 18.994 -0.655 5.994 756 HB2 SER 103 1HB SER 103 21.240 -1.987 6.593 757 HB3 SER 103 2HB SER 103 21.486 -0.644 7.692 758 HG SER 103 HG SER 103 19.352 -1.097 8.606 759 H ARG 104 H ARG 104 19.611 1.925 4.867 760 HA ARG 104 HA ARG 104 20.605 3.697 6.727 761 HB2 ARG 104 1HB ARG 104 18.708 3.987 4.363 762 HB3 ARG 104 2HB ARG 104 19.127 5.381 5.339 763 HG2 ARG 104 1HG ARG 104 21.564 4.928 4.913 764 HG3 ARG 104 2HG ARG 104 21.122 3.566 3.902 765 HD2 ARG 104 1HD ARG 104 20.377 4.912 2.160 766 HD3 ARG 104 2HD ARG 104 19.792 6.169 3.231 767 HE ARG 104 HE ARG 104 22.601 6.159 3.510 768 HH11 ARG 104 2HH2 ARG 104 20.258 6.730 0.948 769 HH12 ARG 104 1HH2 ARG 104 21.282 7.826 0.081 770 HH21 ARG 104 2HH1 ARG 104 23.953 7.604 2.367 771 HH22 ARG 104 1HH1 ARG 104 23.398 8.326 0.893 772 H HIS 105 H HIS 105 17.122 3.394 5.688 773 HA HIS 105 HA HIS 105 16.382 3.723 8.494 774 HB2 HIS 105 1HB HIS 105 16.150 5.744 6.582 775 HB3 HIS 105 2HB HIS 105 14.539 5.058 6.667 776 HD1 HIS 105 1HD HIS 105 13.736 7.317 7.794 777 HD2 HIS 105 2HD HIS 105 16.506 5.098 10.031 778 HE1 HIS 105 1HE HIS 105 13.683 8.280 10.156 779 H SER 106 H SER 106 14.238 2.845 9.016 780 HA SER 106 HA SER 106 13.829 0.403 7.825 781 HB2 SER 106 1HB SER 106 12.762 1.897 10.009 782 HB3 SER 106 2HB SER 106 11.384 1.388 9.054 783 HG SER 106 HG SER 106 11.843 -0.742 9.411 784 H VAL 107 H VAL 107 12.548 3.640 7.094 785 HA VAL 107 HA VAL 107 11.053 2.442 4.868 786 HB VAL 107 HB VAL 107 10.246 4.523 6.868 787 HG11 VAL 107 1HG1 VAL 107 9.241 4.313 4.013 788 HG12 VAL 107 2HG1 VAL 107 8.374 5.162 5.315 789 HG13 VAL 107 3HG1 VAL 107 9.985 5.723 4.805 790 HG21 VAL 107 1HG2 VAL 107 8.685 2.277 5.551 791 HG22 VAL 107 2HG2 VAL 107 9.543 2.138 7.104 792 HG23 VAL 107 3HG2 VAL 107 8.181 3.271 6.938 793 H ALA 108 H ALA 108 11.554 3.252 2.875 794 HA ALA 108 HA ALA 108 13.754 5.033 2.688 795 HB1 ALA 108 1HB ALA 108 11.933 4.318 0.390 796 HB2 ALA 108 2HB ALA 108 13.704 4.501 0.414 797 HB3 ALA 108 3HB ALA 108 12.947 3.064 1.143 798 H GLY 109 H GLY 109 10.231 5.342 2.714 799 HA2 GLY 109 1HA GLY 109 10.336 8.141 3.035 800 HA3 GLY 109 2HA GLY 109 9.933 7.771 1.370 801 H GLU 110 H GLU 110 8.375 8.846 3.862 802 HA GLU 110 HA GLU 110 6.261 6.844 3.797 803 HB2 GLU 110 1HB GLU 110 7.225 8.785 5.863 804 HB3 GLU 110 2HB GLU 110 5.493 8.520 5.801 805 HG2 GLU 110 1HG GLU 110 5.811 6.620 6.996 806 HG3 GLU 110 2HG GLU 110 6.587 5.927 5.586 807 H LEU 111 H LEU 111 4.316 7.325 2.823 808 HA LEU 111 HA LEU 111 3.918 10.138 2.071 809 HB2 LEU 111 1HB LEU 111 4.487 8.184 0.320 810 HB3 LEU 111 2HB LEU 111 2.749 7.977 0.407 811 HG LEU 111 HG LEU 111 3.011 9.409 -1.391 812 HD11 LEU 111 1HD1 LEU 111 2.484 11.800 -0.421 813 HD12 LEU 111 2HD1 LEU 111 1.315 10.466 -0.270 814 HD13 LEU 111 3HD1 LEU 111 2.347 10.906 1.113 815 HD21 LEU 111 1HD2 LEU 111 5.488 9.781 -0.828 816 HD22 LEU 111 2HD2 LEU 111 4.622 11.076 -1.690 817 HD23 LEU 111 3HD2 LEU 111 4.934 11.223 0.056 818 H ARG 112 H ARG 112 2.455 10.880 3.542 819 HA ARG 112 HA ARG 112 0.443 9.100 4.489 820 HB2 ARG 112 1HB ARG 112 1.715 11.395 5.489 821 HB3 ARG 112 2HB ARG 112 0.103 11.975 5.121 822 HG2 ARG 112 1HG ARG 112 0.525 9.389 6.668 823 HG3 ARG 112 2HG ARG 112 0.531 10.941 7.482 824 HD2 ARG 112 1HD ARG 112 -1.761 10.982 5.784 825 HD3 ARG 112 2HD ARG 112 -1.747 9.389 6.514 826 HE ARG 112 HE ARG 112 -2.142 10.356 8.624 827 HH11 ARG 112 2HH2 ARG 112 -1.269 12.858 6.309 828 HH12 ARG 112 1HH2 ARG 112 -1.684 14.163 7.370 829 HH21 ARG 112 2HH1 ARG 112 -2.690 12.077 10.024 830 HH22 ARG 112 1HH1 ARG 112 -2.497 13.716 9.497 831 H LEU 113 H LEU 113 -1.897 9.478 4.251 832 HA LEU 113 HA LEU 113 -2.750 11.480 2.374 833 HB2 LEU 113 1HB LEU 113 -3.032 8.555 1.672 834 HB3 LEU 113 2HB LEU 113 -3.759 9.895 0.808 835 HG LEU 113 HG LEU 113 -0.774 9.461 1.107 836 HD11 LEU 113 1HD1 LEU 113 -0.740 8.625 -1.130 837 HD12 LEU 113 2HD1 LEU 113 -1.947 7.688 -0.217 838 HD13 LEU 113 3HD1 LEU 113 -2.475 8.959 -1.346 839 HD21 LEU 113 1HD2 LEU 113 -1.780 11.165 -1.068 840 HD22 LEU 113 2HD2 LEU 113 -2.069 11.808 0.566 841 HD23 LEU 113 3HD2 LEU 113 -0.415 11.402 0.049 842 H GLY 114 H GLY 114 -5.269 11.143 2.021 843 HA2 GLY 114 1HA GLY 114 -6.404 10.151 4.566 844 HA3 GLY 114 2HA GLY 114 -6.846 11.701 3.877 845 H LEU 115 H LEU 115 -8.470 9.186 4.421 846 HA LEU 115 HA LEU 115 -9.250 8.528 1.679 847 HB2 LEU 115 1HB LEU 115 -10.110 7.161 4.224 848 HB3 LEU 115 2HB LEU 115 -10.301 6.591 2.578 849 HG LEU 115 HG LEU 115 -7.641 6.942 3.989 850 HD11 LEU 115 1HD1 LEU 115 -7.578 4.510 4.151 851 HD12 LEU 115 2HD1 LEU 115 -8.986 5.170 5.017 852 HD13 LEU 115 3HD1 LEU 115 -9.199 4.404 3.425 853 HD21 LEU 115 1HD2 LEU 115 -7.001 7.081 1.809 854 HD22 LEU 115 2HD2 LEU 115 -7.056 5.310 1.972 855 HD23 LEU 115 3HD2 LEU 115 -8.413 6.176 1.213 856 H ASP 116 H ASP 116 -10.337 9.976 4.759 857 HA ASP 116 HA ASP 116 -12.955 10.079 4.541 858 HB2 ASP 116 1HB ASP 116 -12.710 12.577 5.336 859 HB3 ASP 116 2HB ASP 116 -12.081 11.290 6.346 860 H GLY 117 H GLY 117 -10.564 11.746 2.476 861 HA2 GLY 117 1HA GLY 117 -11.129 12.256 0.224 862 HA3 GLY 117 2HA GLY 117 -12.759 12.654 0.728 863 H THR 118 H THR 118 -9.872 13.638 2.595 864 HA THR 118 HA THR 118 -10.509 16.425 1.899 865 HB THR 118 HB THR 118 -9.346 15.059 4.372 866 HG1 THR 118 1HG THR 118 -11.308 16.029 5.199 867 HG21 THR 118 1HG2 THR 118 -8.147 17.268 3.866 868 HG22 THR 118 2HG2 THR 118 -9.741 18.059 3.911 869 HG23 THR 118 3HG2 THR 118 -9.095 17.274 5.372 870 H SER 119 H SER 119 -7.523 14.946 3.263 871 HA SER 119 HA SER 119 -5.773 16.564 2.121 872 HB2 SER 119 1HB SER 119 -5.664 13.624 2.777 873 HB3 SER 119 2HB SER 119 -4.292 14.335 1.950 874 HG SER 119 HG SER 119 -5.013 16.006 3.978 875 H VAL 120 H VAL 120 -6.455 13.303 0.641 876 HA VAL 120 HA VAL 120 -6.119 14.589 -1.982 877 HB VAL 120 HB VAL 120 -5.416 12.090 -2.530 878 HG11 VAL 120 1HG1 VAL 120 -3.509 14.075 -1.247 879 HG12 VAL 120 2HG1 VAL 120 -3.090 12.781 -2.395 880 HG13 VAL 120 3HG1 VAL 120 -4.093 14.152 -2.926 881 HG21 VAL 120 1HG2 VAL 120 -5.704 11.146 -0.340 882 HG22 VAL 120 2HG2 VAL 120 -3.958 11.218 -0.679 883 HG23 VAL 120 3HG2 VAL 120 -4.705 12.420 0.401 884 HA PRO 121 HA PRO 121 -10.086 13.017 -2.720 885 HB2 PRO 121 1HB PRO 121 -10.231 13.397 -5.422 886 HB3 PRO 121 2HB PRO 121 -10.524 14.673 -4.258 887 HG2 PRO 121 1HG PRO 121 -8.155 14.235 -5.970 888 HG3 PRO 121 2HG PRO 121 -8.651 15.693 -5.135 889 HD2 PRO 121 1HD PRO 121 -6.564 13.890 -4.347 890 HD3 PRO 121 2HD PRO 121 -7.138 15.284 -3.453 891 H LEU 122 H LEU 122 -11.368 11.437 -4.137 892 HA LEU 122 HA LEU 122 -9.640 9.092 -4.302 893 HB2 LEU 122 1HB LEU 122 -12.615 9.487 -4.063 894 HB3 LEU 122 2HB LEU 122 -11.917 7.940 -4.500 895 HG LEU 122 HG LEU 122 -11.213 9.432 -1.961 896 HD11 LEU 122 1HD1 LEU 122 -13.473 7.582 -2.585 897 HD12 LEU 122 2HD1 LEU 122 -12.671 7.439 -1.003 898 HD13 LEU 122 3HD1 LEU 122 -13.403 8.986 -1.493 899 HD21 LEU 122 1HD2 LEU 122 -10.667 6.886 -1.395 900 HD22 LEU 122 2HD2 LEU 122 -10.418 6.822 -3.157 901 HD23 LEU 122 3HD2 LEU 122 -9.485 7.970 -2.167 902 H GLY 123 H GLY 123 -9.822 7.635 -6.176 903 HA2 GLY 123 1HA GLY 123 -9.706 7.266 -8.389 904 HA3 GLY 123 2HA GLY 123 -11.177 8.209 -8.520 905 H ALA 124 H ALA 124 -8.394 9.807 -7.082 906 HA ALA 124 HA ALA 124 -7.835 11.107 -9.656 907 HB1 ALA 124 1HB ALA 124 -7.858 13.247 -8.621 908 HB2 ALA 124 2HB ALA 124 -9.325 12.431 -8.029 909 HB3 ALA 124 3HB ALA 124 -7.887 12.546 -6.986 910 H ALA 125 H ALA 125 -5.868 10.192 -10.139 911 HA ALA 125 HA ALA 125 -4.005 9.451 -8.163 912 HB1 ALA 125 1HB ALA 125 -2.664 8.803 -9.988 913 HB2 ALA 125 2HB ALA 125 -4.322 8.644 -10.615 914 HB3 ALA 125 3HB ALA 125 -3.337 10.061 -11.051 915 H GLN 126 H GLN 126 -2.387 10.584 -7.158 916 HA GLN 126 HA GLN 126 -1.872 13.250 -8.213 917 HB2 GLN 126 1HB GLN 126 -2.008 12.599 -5.241 918 HB3 GLN 126 2HB GLN 126 -1.844 14.183 -5.971 919 HG2 GLN 126 1HG GLN 126 -4.199 12.801 -7.034 920 HG3 GLN 126 2HG GLN 126 -4.259 12.861 -5.284 921 HE21 GLN 126 1HE2 GLN 126 -6.164 14.194 -6.358 922 HE22 GLN 126 2HE2 GLN 126 -5.924 15.910 -6.377 923 H TRP 127 H TRP 127 0.296 14.134 -7.565 924 HA TRP 127 HA TRP 127 2.193 11.915 -7.265 925 HB2 TRP 127 1HB TRP 127 2.244 14.507 -8.747 926 HB3 TRP 127 2HB TRP 127 3.755 13.873 -8.125 927 HD1 TRP 127 HD TRP 127 1.307 13.369 -10.959 928 HE1 TRP 127 1HE TRP 127 2.061 11.450 -12.607 929 HE3 TRP 127 3HE TRP 127 5.007 11.547 -7.984 930 HZ2 TRP 127 2HZ TRP 127 4.074 9.431 -12.483 931 HZ3 TRP 127 3HZ TRP 127 6.318 9.600 -8.822 932 HH2 TRP 127 HH TRP 127 5.902 8.547 -10.988 933 H GLY 128 H GLY 128 2.121 11.778 -4.958 934 HA2 GLY 128 1HA GLY 128 2.553 14.197 -3.403 935 HA3 GLY 128 2HA GLY 128 2.264 12.575 -2.807 936 H GLU 129 H GLU 129 4.318 14.306 -1.787 937 HA GLU 129 HA GLU 129 6.707 13.048 -2.878 938 HB2 GLU 129 1HB GLU 129 6.099 15.745 -1.914 939 HB3 GLU 129 2HB GLU 129 7.484 15.079 -1.072 940 HG2 GLU 129 1HG GLU 129 8.811 15.251 -2.914 941 HG3 GLU 129 2HG GLU 129 7.621 14.471 -3.937 942 H LEU 130 H LEU 130 7.811 11.561 -1.651 943 HA LEU 130 HA LEU 130 6.687 10.584 0.701 944 HB2 LEU 130 1HB LEU 130 9.434 10.244 -0.504 945 HB3 LEU 130 2HB LEU 130 8.856 9.340 0.881 946 HG LEU 130 HG LEU 130 7.406 9.317 -1.771 947 HD11 LEU 130 1HD1 LEU 130 9.937 8.019 -1.039 948 HD12 LEU 130 2HD1 LEU 130 8.695 6.902 -1.654 949 HD13 LEU 130 3HD1 LEU 130 9.201 8.299 -2.635 950 HD21 LEU 130 1HD2 LEU 130 7.347 6.994 0.058 951 HD22 LEU 130 2HD2 LEU 130 6.547 8.469 0.651 952 HD23 LEU 130 3HD2 LEU 130 6.048 7.748 -0.898 953 H LYS 131 H LYS 131 6.934 11.064 2.846 954 HA LYS 131 HA LYS 131 8.639 13.370 3.412 955 HB2 LYS 131 1HB LYS 131 6.275 12.180 4.889 956 HB3 LYS 131 2HB LYS 131 7.255 13.493 5.510 957 HG2 LYS 131 1HG LYS 131 5.886 13.597 2.784 958 HG3 LYS 131 2HG LYS 131 5.130 14.188 4.251 959 HD2 LYS 131 1HD LYS 131 6.328 16.118 4.190 960 HD3 LYS 131 2HD LYS 131 7.842 15.249 4.037 961 HE2 LYS 131 1HE LYS 131 7.436 14.982 1.577 962 HE3 LYS 131 2HE LYS 131 5.927 15.860 1.733 963 HZ1 LYS 131 1HZ LYS 131 8.468 16.903 1.443 964 HZ2 LYS 131 2HZ LYS 131 7.063 17.721 1.597 965 HZ3 LYS 131 3HZ LYS 131 7.944 17.355 2.922 966 H THR 132 H THR 132 10.411 11.570 3.055 967 HA THR 132 HA THR 132 10.918 9.474 4.618 968 HB THR 132 HB THR 132 13.320 10.092 4.342 969 HG1 THR 132 1HG THR 132 12.048 12.621 3.558 970 HG21 THR 132 1HG2 THR 132 11.656 9.669 2.244 971 HG22 THR 132 2HG2 THR 132 12.067 11.369 1.914 972 HG23 THR 132 3HG2 THR 132 13.355 10.143 2.004 973 H SER 133 H SER 133 10.881 12.866 5.717 974 HA SER 133 HA SER 133 12.121 12.398 8.149 975 HB2 SER 133 1HB SER 133 10.572 14.545 6.864 976 HB3 SER 133 2HB SER 133 10.281 14.477 8.591 977 HG SER 133 HG SER 133 12.713 14.995 7.180 978 H GLY 134 H GLY 134 8.572 12.918 7.485 979 HA2 GLY 134 1HA GLY 134 6.735 12.109 8.492 980 HA3 GLY 134 2HA GLY 134 7.665 10.673 8.871 981 HA PRO 135 HA PRO 135 6.899 13.301 12.659 982 HB2 PRO 135 1HB PRO 135 4.505 12.376 13.597 983 HB3 PRO 135 2HB PRO 135 4.665 13.856 12.672 984 HG2 PRO 135 1HG PRO 135 3.619 11.231 11.804 985 HG3 PRO 135 2HG PRO 135 3.401 12.801 11.057 986 HD2 PRO 135 1HD PRO 135 5.167 10.716 10.184 987 HD3 PRO 135 2HD PRO 135 5.032 12.327 9.508 988 H SER 136 H SER 136 6.481 12.502 15.039 989 HA SER 136 HA SER 136 8.295 10.413 15.321 990 HB2 SER 136 1HB SER 136 7.127 12.346 16.974 991 HB3 SER 136 2HB SER 136 6.512 10.843 17.633 992 HG SER 136 HG SER 136 8.763 10.069 17.709 993 H SER 137 H SER 137 7.813 8.357 14.590 994 HA SER 137 HA SER 137 5.778 6.941 15.907 995 HB2 SER 137 1HB SER 137 5.278 7.903 13.096 996 HB3 SER 137 2HB SER 137 4.744 6.288 13.515 997 HG SER 137 HG SER 137 4.102 8.413 15.313 998 H GLY 138 H GLY 138 7.472 6.955 12.676 999 HA2 GLY 138 1HA GLY 138 9.564 5.540 12.751 1000 HA3 GLY 138 2HA GLY 138 8.508 4.264 13.321 Start of MODEL 4 1 H1 GLY 1 H GLY 1 6.814 12.580 20.967 2 HA2 GLY 1 1HA GLY 1 8.689 11.048 19.286 3 HA3 GLY 1 2HA GLY 1 7.438 12.026 18.544 4 H SER 2 H SER 2 10.652 12.028 19.447 5 HA SER 2 HA SER 2 10.636 14.933 19.507 6 HB2 SER 2 1HB SER 2 11.083 13.658 21.805 7 HB3 SER 2 2HB SER 2 12.684 13.422 21.133 8 HG SER 2 HG SER 2 12.379 15.933 20.675 9 H SER 3 H SER 3 12.781 11.991 19.347 10 HA SER 3 HA SER 3 14.918 12.978 18.148 11 HB2 SER 3 1HB SER 3 15.078 10.742 16.916 12 HB3 SER 3 2HB SER 3 14.846 10.643 18.650 13 HG SER 3 HG SER 3 12.767 10.397 16.645 14 H GLY 4 H GLY 4 15.666 12.951 15.797 15 HA2 GLY 4 1HA GLY 4 14.348 12.755 13.522 16 HA3 GLY 4 2HA GLY 4 13.620 14.223 14.145 17 H SER 5 H SER 5 14.512 15.968 13.131 18 HA SER 5 HA SER 5 15.982 17.387 12.402 19 HB2 SER 5 1HB SER 5 17.409 16.062 14.610 20 HB3 SER 5 2HB SER 5 18.513 16.696 13.405 21 HG SER 5 HG SER 5 17.457 18.783 13.610 22 H SER 6 H SER 6 18.117 17.595 11.033 23 HA SER 6 HA SER 6 19.337 16.978 9.346 24 HB2 SER 6 1HB SER 6 18.940 14.079 10.204 25 HB3 SER 6 2HB SER 6 20.208 14.690 9.160 26 HG SER 6 HG SER 6 21.163 15.781 10.897 27 H GLY 7 H GLY 7 18.864 16.775 7.144 28 HA2 GLY 7 1HA GLY 7 17.633 15.140 5.602 29 HA3 GLY 7 2HA GLY 7 16.220 15.635 6.513 30 H SER 8 H SER 8 18.226 16.334 3.828 31 HA SER 8 HA SER 8 16.596 18.426 3.018 32 HB2 SER 8 1HB SER 8 17.928 19.659 4.778 33 HB3 SER 8 2HB SER 8 19.387 19.314 3.870 34 HG SER 8 HG SER 8 17.599 20.377 2.133 35 H TRP 9 H TRP 9 16.978 18.909 0.780 36 HA TRP 9 HA TRP 9 19.353 18.410 -0.561 37 HB2 TRP 9 1HB TRP 9 18.109 16.000 0.151 38 HB3 TRP 9 2HB TRP 9 17.720 16.232 -1.541 39 HD1 TRP 9 HD TRP 9 21.104 17.040 0.250 40 HE1 TRP 9 1HE TRP 9 23.101 15.800 -0.950 41 HE3 TRP 9 3HE TRP 9 18.224 14.556 -3.125 42 HZ2 TRP 9 2HZ TRP 9 23.248 13.961 -3.127 43 HZ3 TRP 9 3HZ TRP 9 19.373 13.058 -4.753 44 HH2 TRP 9 HH TRP 9 21.796 12.741 -4.790 45 H ASN 10 H ASN 10 18.967 18.577 -2.981 46 HA ASN 10 HA ASN 10 16.924 20.458 -3.411 47 HB2 ASN 10 1HB ASN 10 19.162 19.228 -4.959 48 HB3 ASN 10 2HB ASN 10 17.801 19.717 -5.949 49 HD21 ASN 10 1HD2 ASN 10 20.122 20.785 -3.522 50 HD22 ASN 10 2HD2 ASN 10 20.120 22.471 -3.918 51 H GLN 11 H GLN 11 17.675 17.203 -4.893 52 HA GLN 11 HA GLN 11 15.052 17.049 -5.980 53 HB2 GLN 11 1HB GLN 11 17.586 15.512 -6.149 54 HB3 GLN 11 2HB GLN 11 16.145 14.521 -6.268 55 HG2 GLN 11 1HG GLN 11 15.474 16.650 -7.911 56 HG3 GLN 11 2HG GLN 11 17.206 16.555 -8.166 57 HE21 GLN 11 1HE2 GLN 11 14.247 15.428 -9.116 58 HE22 GLN 11 2HE2 GLN 11 14.697 13.972 -9.940 59 H ALA 12 H ALA 12 13.255 16.148 -5.046 60 HA ALA 12 HA ALA 12 13.706 14.657 -2.555 61 HB1 ALA 12 1HB ALA 12 12.061 16.905 -3.212 62 HB2 ALA 12 2HB ALA 12 10.988 15.526 -2.875 63 HB3 ALA 12 3HB ALA 12 12.182 16.041 -1.661 64 HA PRO 13 HA PRO 13 11.901 11.213 -4.447 65 HB2 PRO 13 1HB PRO 13 10.912 9.847 -2.297 66 HB3 PRO 13 2HB PRO 13 12.603 9.816 -2.757 67 HG2 PRO 13 1HG PRO 13 11.316 11.257 -0.519 68 HG3 PRO 13 2HG PRO 13 13.010 10.868 -0.745 69 HD2 PRO 13 1HD PRO 13 11.767 13.422 -1.144 70 HD3 PRO 13 2HD PRO 13 13.435 13.005 -1.480 71 H LYS 14 H LYS 14 10.182 10.841 -5.706 72 HA LYS 14 HA LYS 14 7.680 11.925 -4.613 73 HB2 LYS 14 1HB LYS 14 9.030 12.285 -7.182 74 HB3 LYS 14 2HB LYS 14 7.377 11.737 -7.374 75 HG2 LYS 14 1HG LYS 14 6.934 13.604 -5.468 76 HG3 LYS 14 2HG LYS 14 8.404 14.283 -6.137 77 HD2 LYS 14 1HD LYS 14 5.891 13.580 -7.728 78 HD3 LYS 14 2HD LYS 14 6.385 15.198 -7.268 79 HE2 LYS 14 1HE LYS 14 8.429 13.571 -8.742 80 HE3 LYS 14 2HE LYS 14 7.024 14.061 -9.668 81 HZ1 LYS 14 1HZ LYS 14 8.143 16.136 -8.050 82 HZ2 LYS 14 2HZ LYS 14 9.143 15.600 -9.224 83 HZ3 LYS 14 3HZ LYS 14 7.665 16.175 -9.611 84 H LEU 15 H LEU 15 5.785 10.670 -4.774 85 HA LEU 15 HA LEU 15 6.140 7.987 -5.875 86 HB2 LEU 15 1HB LEU 15 6.632 7.590 -3.624 87 HB3 LEU 15 2HB LEU 15 5.399 8.698 -3.053 88 HG LEU 15 HG LEU 15 3.635 7.177 -3.627 89 HD11 LEU 15 1HD1 LEU 15 3.799 5.274 -4.921 90 HD12 LEU 15 2HD1 LEU 15 4.950 6.365 -5.731 91 HD13 LEU 15 3HD1 LEU 15 5.547 5.094 -4.636 92 HD21 LEU 15 1HD2 LEU 15 5.221 5.060 -2.474 93 HD22 LEU 15 2HD2 LEU 15 5.627 6.623 -1.725 94 HD23 LEU 15 3HD2 LEU 15 3.941 6.054 -1.738 95 H HIS 16 H HIS 16 4.575 7.657 -7.351 96 HA HIS 16 HA HIS 16 2.240 9.359 -7.227 97 HB2 HIS 16 1HB HIS 16 3.684 8.871 -9.312 98 HB3 HIS 16 2HB HIS 16 2.870 7.320 -9.360 99 HD1 HIS 16 1HD HIS 16 1.015 7.366 -11.015 100 HD2 HIS 16 2HD HIS 16 1.411 11.029 -9.010 101 HE1 HIS 16 1HE HIS 16 -0.816 8.887 -11.936 102 H TYR 17 H TYR 17 0.120 8.637 -6.908 103 HA TYR 17 HA TYR 17 -0.405 5.815 -6.728 104 HB2 TYR 17 1HB TYR 17 -1.235 6.227 -4.289 105 HB3 TYR 17 2HB TYR 17 0.506 6.190 -4.488 106 HD1 TYR 17 2HD TYR 17 -2.412 8.360 -3.876 107 HD2 TYR 17 1HD TYR 17 1.851 8.192 -4.192 108 HE1 TYR 17 2HE TYR 17 -2.235 10.665 -2.817 109 HE2 TYR 17 1HE TYR 17 2.014 10.497 -3.132 110 HH TYR 17 HH TYR 17 0.394 11.826 -1.460 111 H CYS 18 H CYS 18 -2.655 5.343 -6.776 112 HA CYS 18 HA CYS 18 -4.314 7.730 -7.155 113 HB2 CYS 18 1HB CYS 18 -3.984 6.607 -9.285 114 HB3 CYS 18 2HB CYS 18 -4.461 5.065 -8.601 115 HG CYS 18 HG CYS 18 -6.886 5.700 -7.975 116 H LEU 19 H LEU 19 -5.641 7.933 -5.382 117 HA LEU 19 HA LEU 19 -6.270 5.570 -3.838 118 HB2 LEU 19 1HB LEU 19 -7.172 8.393 -3.312 119 HB3 LEU 19 2HB LEU 19 -7.047 7.061 -2.180 120 HG LEU 19 HG LEU 19 -5.219 8.333 -1.609 121 HD11 LEU 19 1HD1 LEU 19 -4.626 5.940 -2.303 122 HD12 LEU 19 2HD1 LEU 19 -3.875 6.675 -3.740 123 HD13 LEU 19 3HD1 LEU 19 -3.291 7.102 -2.114 124 HD21 LEU 19 1HD2 LEU 19 -5.608 9.792 -3.751 125 HD22 LEU 19 2HD2 LEU 19 -4.030 9.795 -2.928 126 HD23 LEU 19 3HD2 LEU 19 -4.261 8.830 -4.406 127 H ASP 20 H ASP 20 -8.102 4.396 -4.044 128 HA ASP 20 HA ASP 20 -10.455 5.729 -5.005 129 HB2 ASP 20 1HB ASP 20 -9.499 4.982 -7.114 130 HB3 ASP 20 2HB ASP 20 -9.115 3.405 -6.452 131 H TYR 21 H TYR 21 -12.002 5.039 -3.520 132 HA TYR 21 HA TYR 21 -11.603 2.421 -2.271 133 HB2 TYR 21 1HB TYR 21 -11.835 4.642 -0.971 134 HB3 TYR 21 2HB TYR 21 -13.438 4.821 -1.656 135 HD1 TYR 21 2HD TYR 21 -11.373 2.630 0.542 136 HD2 TYR 21 1HD TYR 21 -15.316 3.786 -0.649 137 HE1 TYR 21 2HE TYR 21 -12.354 1.299 2.473 138 HE2 TYR 21 1HE TYR 21 -16.284 2.451 1.286 139 HH TYR 21 HH TYR 21 -14.966 0.152 2.724 140 H ASP 22 H ASP 22 -12.793 0.733 -2.990 141 HA ASP 22 HA ASP 22 -15.101 1.339 -4.598 142 HB2 ASP 22 1HB ASP 22 -13.175 -0.501 -4.944 143 HB3 ASP 22 2HB ASP 22 -14.212 -1.467 -3.914 144 H CYS 23 H CYS 23 -16.578 2.048 -2.875 145 HA CYS 23 HA CYS 23 -17.007 0.927 -0.475 146 HB2 CYS 23 1HB CYS 23 -19.194 1.889 -0.493 147 HB3 CYS 23 2HB CYS 23 -18.149 2.953 -1.412 148 HG CYS 23 HG CYS 23 -18.768 2.040 -3.776 149 H GLN 24 H GLN 24 -18.228 -0.167 -3.694 150 HA GLN 24 HA GLN 24 -19.982 -2.059 -2.952 151 HB2 GLN 24 1HB GLN 24 -17.936 -2.506 -5.160 152 HB3 GLN 24 2HB GLN 24 -19.581 -3.106 -5.095 153 HG2 GLN 24 1HG GLN 24 -19.833 -0.299 -4.796 154 HG3 GLN 24 2HG GLN 24 -18.596 -0.504 -6.020 155 HE21 GLN 24 1HE2 GLN 24 -19.207 -0.808 -8.022 156 HE22 GLN 24 2HE2 GLN 24 -20.764 -1.330 -8.573 157 H LYS 25 H LYS 25 -16.382 -2.390 -3.151 158 HA LYS 25 HA LYS 25 -16.574 -5.073 -2.070 159 HB2 LYS 25 1HB LYS 25 -13.979 -3.667 -2.592 160 HB3 LYS 25 2HB LYS 25 -14.382 -5.365 -2.749 161 HG2 LYS 25 1HG LYS 25 -16.052 -4.513 -4.633 162 HG3 LYS 25 2HG LYS 25 -15.036 -3.085 -4.634 163 HD2 LYS 25 1HD LYS 25 -13.390 -4.155 -5.778 164 HD3 LYS 25 2HD LYS 25 -13.371 -5.483 -4.634 165 HE2 LYS 25 1HE LYS 25 -15.553 -6.295 -5.832 166 HE3 LYS 25 2HE LYS 25 -15.121 -5.169 -7.103 167 HZ1 LYS 25 1HZ LYS 25 -13.798 -6.747 -7.846 168 HZ2 LYS 25 2HZ LYS 25 -12.831 -6.536 -6.546 169 HZ3 LYS 25 3HZ LYS 25 -13.997 -7.679 -6.519 170 H ALA 26 H ALA 26 -15.610 -1.750 -1.144 171 HA ALA 26 HA ALA 26 -15.567 -0.869 0.919 172 HB1 ALA 26 1HB ALA 26 -15.596 -3.586 2.234 173 HB2 ALA 26 2HB ALA 26 -16.270 -2.044 2.814 174 HB3 ALA 26 3HB ALA 26 -17.083 -2.933 1.504 175 H GLU 27 H GLU 27 -13.345 -1.782 -0.815 176 HA GLU 27 HA GLU 27 -11.341 -1.881 1.289 177 HB2 GLU 27 1HB GLU 27 -10.970 -3.390 -1.318 178 HB3 GLU 27 2HB GLU 27 -10.044 -3.542 0.162 179 HG2 GLU 27 1HG GLU 27 -11.401 -5.265 0.741 180 HG3 GLU 27 2HG GLU 27 -12.686 -4.096 0.970 181 H LEU 28 H LEU 28 -9.618 -0.461 0.990 182 HA LEU 28 HA LEU 28 -9.945 1.511 -1.021 183 HB2 LEU 28 1HB LEU 28 -9.121 1.920 1.277 184 HB3 LEU 28 2HB LEU 28 -7.656 1.037 0.894 185 HG LEU 28 HG LEU 28 -7.156 2.714 -0.890 186 HD11 LEU 28 1HD1 LEU 28 -9.285 3.578 -1.459 187 HD12 LEU 28 2HD1 LEU 28 -9.630 4.048 0.223 188 HD13 LEU 28 3HD1 LEU 28 -8.387 4.918 -0.706 189 HD21 LEU 28 1HD2 LEU 28 -6.026 2.927 1.199 190 HD22 LEU 28 2HD2 LEU 28 -6.545 4.555 0.701 191 HD23 LEU 28 3HD2 LEU 28 -7.446 3.681 1.963 192 H PHE 29 H PHE 29 -8.024 2.176 -2.464 193 HA PHE 29 HA PHE 29 -6.431 -0.079 -3.328 194 HB2 PHE 29 1HB PHE 29 -8.506 1.447 -5.008 195 HB3 PHE 29 2HB PHE 29 -7.275 0.432 -5.732 196 HD1 PHE 29 1HD PHE 29 -7.380 -1.998 -5.518 197 HD2 PHE 29 2HD PHE 29 -10.394 0.473 -3.841 198 HE1 PHE 29 1HE PHE 29 -8.880 -3.995 -5.271 199 HE2 PHE 29 2HE PHE 29 -11.895 -1.524 -3.594 200 HZ PHE 29 HZ PHE 29 -11.120 -3.734 -4.312 201 H VAL 30 H VAL 30 -4.433 0.580 -4.056 202 HA VAL 30 HA VAL 30 -4.168 3.436 -4.686 203 HB VAL 30 HB VAL 30 -2.123 1.787 -3.202 204 HG11 VAL 30 1HG1 VAL 30 -0.896 3.565 -3.884 205 HG12 VAL 30 2HG1 VAL 30 -2.327 4.586 -4.160 206 HG13 VAL 30 3HG1 VAL 30 -1.688 4.376 -2.512 207 HG21 VAL 30 1HG2 VAL 30 -4.622 2.798 -2.203 208 HG22 VAL 30 2HG2 VAL 30 -3.333 1.930 -1.336 209 HG23 VAL 30 3HG2 VAL 30 -3.282 3.705 -1.461 210 H THR 31 H THR 31 -4.197 3.132 -6.931 211 HA THR 31 HA THR 31 -2.138 1.309 -7.978 212 HB THR 31 HB THR 31 -3.545 1.392 -10.053 213 HG1 THR 31 1HG THR 31 -5.437 2.815 -8.361 214 HG21 THR 31 1HG2 THR 31 -4.870 0.718 -7.402 215 HG22 THR 31 2HG2 THR 31 -5.812 0.633 -8.909 216 HG23 THR 31 3HG2 THR 31 -4.366 -0.385 -8.705 217 H ARG 32 H ARG 32 -1.869 2.401 -10.539 218 HA ARG 32 HA ARG 32 -0.649 3.823 -11.614 219 HB2 ARG 32 1HB ARG 32 -1.781 5.927 -9.699 220 HB3 ARG 32 2HB ARG 32 -1.032 6.267 -11.247 221 HG2 ARG 32 1HG ARG 32 -3.486 4.477 -10.955 222 HG3 ARG 32 2HG ARG 32 -3.597 6.202 -11.241 223 HD2 ARG 32 1HD ARG 32 -1.956 5.701 -13.270 224 HD3 ARG 32 2HD ARG 32 -2.510 4.050 -13.079 225 HE ARG 32 HE ARG 32 -4.803 5.756 -13.091 226 HH11 ARG 32 2HH2 ARG 32 -2.288 4.624 -15.277 227 HH12 ARG 32 1HH2 ARG 32 -3.271 4.782 -16.694 228 HH21 ARG 32 2HH1 ARG 32 -6.100 5.964 -14.960 229 HH22 ARG 32 1HH1 ARG 32 -5.454 5.549 -16.513 230 H LEU 33 H LEU 33 0.715 2.423 -9.576 231 HA LEU 33 HA LEU 33 2.204 4.205 -7.936 232 HB2 LEU 33 1HB LEU 33 2.085 1.300 -8.480 233 HB3 LEU 33 2HB LEU 33 3.635 1.911 -7.936 234 HG LEU 33 HG LEU 33 2.612 1.273 -5.962 235 HD11 LEU 33 1HD1 LEU 33 2.598 3.168 -4.707 236 HD12 LEU 33 2HD1 LEU 33 3.255 3.847 -6.216 237 HD13 LEU 33 3HD1 LEU 33 1.529 4.045 -5.827 238 HD21 LEU 33 1HD2 LEU 33 0.256 1.348 -7.389 239 HD22 LEU 33 2HD2 LEU 33 0.425 0.946 -5.663 240 HD23 LEU 33 3HD2 LEU 33 0.014 2.607 -6.154 241 H GLU 34 H GLU 34 3.830 5.515 -8.554 242 HA GLU 34 HA GLU 34 5.667 4.540 -10.526 243 HB2 GLU 34 1HB GLU 34 3.730 6.773 -11.055 244 HB3 GLU 34 2HB GLU 34 5.371 6.992 -11.629 245 HG2 GLU 34 1HG GLU 34 4.964 5.618 -13.383 246 HG3 GLU 34 2HG GLU 34 4.595 4.301 -12.288 247 H ALA 35 H ALA 35 7.093 4.567 -8.663 248 HA ALA 35 HA ALA 35 7.462 6.785 -7.029 249 HB1 ALA 35 1HB ALA 35 9.146 4.396 -7.815 250 HB2 ALA 35 2HB ALA 35 9.777 5.642 -6.711 251 HB3 ALA 35 3HB ALA 35 8.316 4.724 -6.274 252 H VAL 36 H VAL 36 9.392 8.248 -6.956 253 HA VAL 36 HA VAL 36 10.700 8.671 -9.501 254 HB VAL 36 HB VAL 36 8.781 10.633 -8.251 255 HG11 VAL 36 1HG1 VAL 36 11.305 11.242 -9.420 256 HG12 VAL 36 2HG1 VAL 36 10.045 11.722 -10.582 257 HG13 VAL 36 3HG1 VAL 36 10.015 12.363 -8.922 258 HG21 VAL 36 1HG2 VAL 36 7.861 9.011 -9.879 259 HG22 VAL 36 2HG2 VAL 36 7.778 10.688 -10.470 260 HG23 VAL 36 3HG2 VAL 36 9.031 9.587 -11.091 261 H THR 37 H THR 37 12.304 7.745 -7.848 262 HA THR 37 HA THR 37 13.722 9.993 -6.704 263 HB THR 37 HB THR 37 12.138 9.284 -4.890 264 HG1 THR 37 1HG THR 37 14.065 8.641 -3.442 265 HG21 THR 37 1HG2 THR 37 12.010 7.104 -4.082 266 HG22 THR 37 2HG2 THR 37 12.408 6.717 -5.773 267 HG23 THR 37 3HG2 THR 37 13.690 6.733 -4.538 268 H SER 38 H SER 38 15.733 9.821 -7.444 269 HA SER 38 HA SER 38 17.456 7.895 -6.926 270 HB2 SER 38 1HB SER 38 16.780 6.027 -8.020 271 HB3 SER 38 2HB SER 38 15.580 6.907 -8.945 272 HG SER 38 HG SER 38 18.250 6.237 -9.615 273 H ASN 39 H ASN 39 19.366 7.822 -8.672 274 HA ASN 39 HA ASN 39 19.299 9.983 -10.516 275 HB2 ASN 39 1HB ASN 39 20.363 10.397 -7.825 276 HB3 ASN 39 2HB ASN 39 21.667 10.526 -8.988 277 HD21 ASN 39 1HD2 ASN 39 19.152 12.098 -7.475 278 HD22 ASN 39 2HD2 ASN 39 18.992 13.494 -8.488 279 H HIS 40 H HIS 40 21.742 8.217 -8.449 280 HA HIS 40 HA HIS 40 22.530 6.601 -10.672 281 HB2 HIS 40 1HB HIS 40 24.833 7.346 -10.791 282 HB3 HIS 40 2HB HIS 40 23.743 8.657 -11.195 283 HD1 HIS 40 1HD HIS 40 26.732 8.982 -10.103 284 HD2 HIS 40 2HD HIS 40 23.213 9.400 -7.859 285 HE1 HIS 40 1HE HIS 40 27.329 10.452 -8.104 286 H ASP 41 H ASP 41 21.449 5.381 -8.732 287 HA ASP 41 HA ASP 41 23.372 3.838 -7.575 288 HB2 ASP 41 1HB ASP 41 22.824 6.298 -6.076 289 HB3 ASP 41 2HB ASP 41 22.403 4.891 -5.121 290 H GLY 42 H GLY 42 22.180 1.944 -7.302 291 HA2 GLY 42 1HA GLY 42 19.935 1.653 -5.714 292 HA3 GLY 42 2HA GLY 42 19.337 1.977 -7.329 293 H GLY 43 H GLY 43 21.547 -0.163 -5.440 294 HA2 GLY 43 1HA GLY 43 21.360 -2.174 -7.588 295 HA3 GLY 43 2HA GLY 43 22.591 -2.093 -6.343 296 H CYS 44 H CYS 44 18.947 -2.092 -6.418 297 HA CYS 44 HA CYS 44 18.788 -4.590 -5.143 298 HB2 CYS 44 1HB CYS 44 19.412 -2.591 -3.326 299 HB3 CYS 44 2HB CYS 44 17.667 -2.688 -3.205 300 HG CYS 44 HG CYS 44 19.030 -4.201 -1.406 301 H ASP 45 H ASP 45 16.355 -4.955 -4.482 302 HA ASP 45 HA ASP 45 14.803 -3.643 -6.530 303 HB2 ASP 45 1HB ASP 45 14.445 -6.120 -4.813 304 HB3 ASP 45 2HB ASP 45 13.068 -5.438 -5.655 305 H CYS 46 H CYS 46 13.159 -2.156 -6.003 306 HA CYS 46 HA CYS 46 12.577 -1.874 -3.144 307 HB2 CYS 46 1HB CYS 46 12.267 0.494 -3.480 308 HB3 CYS 46 2HB CYS 46 13.844 0.039 -4.094 309 HG CYS 46 HG CYS 46 12.096 -0.592 -6.474 310 H TYR 47 H TYR 47 10.305 -1.243 -2.650 311 HA TYR 47 HA TYR 47 8.414 -1.542 -4.835 312 HB2 TYR 47 1HB TYR 47 7.219 -3.287 -3.344 313 HB3 TYR 47 2HB TYR 47 8.728 -3.851 -4.033 314 HD1 TYR 47 1HD TYR 47 7.120 -2.611 -0.932 315 HD2 TYR 47 2HD TYR 47 10.605 -4.410 -2.642 316 HE1 TYR 47 1HE TYR 47 7.982 -3.169 1.394 317 HE2 TYR 47 2HE TYR 47 11.455 -4.962 -0.310 318 HH TYR 47 HH TYR 47 9.981 -5.328 2.102 319 H VAL 48 H VAL 48 6.143 -1.034 -4.098 320 HA VAL 48 HA VAL 48 6.296 1.122 -2.159 321 HB VAL 48 HB VAL 48 3.930 0.310 -3.837 322 HG11 VAL 48 1HG1 VAL 48 4.386 3.149 -3.504 323 HG12 VAL 48 2HG1 VAL 48 2.981 2.163 -3.031 324 HG13 VAL 48 3HG1 VAL 48 4.363 2.331 -1.923 325 HG21 VAL 48 1HG2 VAL 48 5.986 0.518 -5.264 326 HG22 VAL 48 2HG2 VAL 48 4.706 1.695 -5.642 327 HG23 VAL 48 3HG2 VAL 48 6.135 2.203 -4.711 328 H GLN 49 H GLN 49 4.857 1.282 -0.337 329 HA GLN 49 HA GLN 49 3.536 -1.219 0.328 330 HB2 GLN 49 1HB GLN 49 5.775 -1.155 1.455 331 HB3 GLN 49 2HB GLN 49 5.326 0.346 2.240 332 HG2 GLN 49 1HG GLN 49 3.167 -1.412 2.770 333 HG3 GLN 49 2HG GLN 49 4.599 -2.405 2.950 334 HE21 GLN 49 1HE2 GLN 49 3.054 -1.916 5.098 335 HE22 GLN 49 2HE2 GLN 49 3.835 -0.858 6.226 336 H GLY 50 H GLY 50 1.540 -0.962 1.357 337 HA2 GLY 50 1HA GLY 50 0.771 1.832 1.964 338 HA3 GLY 50 2HA GLY 50 -0.288 0.672 1.186 339 H SER 51 H SER 51 -0.537 2.172 3.812 340 HA SER 51 HA SER 51 -1.156 -0.184 5.370 341 HB2 SER 51 1HB SER 51 -0.325 1.267 7.430 342 HB3 SER 51 2HB SER 51 0.806 0.282 6.523 343 HG SER 51 HG SER 51 1.419 2.172 5.300 344 H VAL 52 H VAL 52 -3.103 0.033 6.529 345 HA VAL 52 HA VAL 52 -4.278 2.720 6.562 346 HB VAL 52 HB VAL 52 -5.207 0.288 5.207 347 HG11 VAL 52 1HG1 VAL 52 -6.722 0.118 7.078 348 HG12 VAL 52 2HG1 VAL 52 -7.108 1.853 6.983 349 HG13 VAL 52 3HG1 VAL 52 -7.619 0.754 5.679 350 HG21 VAL 52 1HG2 VAL 52 -6.458 2.983 4.866 351 HG22 VAL 52 2HG2 VAL 52 -4.749 2.786 4.407 352 HG23 VAL 52 3HG2 VAL 52 -5.998 1.770 3.648 353 H ALA 53 H ALA 53 -5.240 3.279 8.489 354 HA ALA 53 HA ALA 53 -5.341 1.138 10.504 355 HB1 ALA 53 1HB ALA 53 -4.593 4.075 10.693 356 HB2 ALA 53 2HB ALA 53 -4.998 3.092 12.121 357 HB3 ALA 53 3HB ALA 53 -3.601 2.656 11.108 358 H ASN 54 H ASN 54 -7.394 0.567 10.996 359 HA ASN 54 HA ASN 54 -9.404 2.655 10.693 360 HB2 ASN 54 1HB ASN 54 -10.813 0.259 10.853 361 HB3 ASN 54 2HB ASN 54 -10.388 1.065 9.356 362 HD21 ASN 54 1HD2 ASN 54 -9.926 -0.538 8.021 363 HD22 ASN 54 2HD2 ASN 54 -8.733 -1.770 8.265 364 H ARG 55 H ARG 55 -11.436 2.045 12.242 365 HA ARG 55 HA ARG 55 -10.406 2.114 14.843 366 HB2 ARG 55 1HB ARG 55 -13.048 2.346 13.514 367 HB3 ARG 55 2HB ARG 55 -13.152 1.610 15.101 368 HG2 ARG 55 1HG ARG 55 -12.039 3.516 16.145 369 HG3 ARG 55 2HG ARG 55 -11.635 4.207 14.586 370 HD2 ARG 55 1HD ARG 55 -14.116 4.423 14.093 371 HD3 ARG 55 2HD ARG 55 -14.455 3.849 15.714 372 HE ARG 55 HE ARG 55 -13.472 6.502 14.975 373 HH11 ARG 55 2HH2 ARG 55 -13.635 4.128 17.566 374 HH12 ARG 55 1HH2 ARG 55 -13.434 5.300 18.826 375 HH21 ARG 55 2HH1 ARG 55 -13.207 8.049 16.636 376 HH22 ARG 55 1HH1 ARG 55 -13.189 7.545 18.293 377 H THR 56 H THR 56 -10.798 -0.456 12.721 378 HA THR 56 HA THR 56 -11.569 -2.353 14.825 379 HB THR 56 HB THR 56 -12.092 -3.840 12.956 380 HG1 THR 56 1HG THR 56 -11.090 -1.687 11.257 381 HG21 THR 56 1HG2 THR 56 -13.490 -2.321 11.420 382 HG22 THR 56 2HG2 THR 56 -13.879 -2.197 13.152 383 HG23 THR 56 3HG2 THR 56 -12.885 -0.944 12.371 384 H GLY 57 H GLY 57 -8.867 -1.169 12.922 385 HA2 GLY 57 1HA GLY 57 -6.903 -2.253 14.474 386 HA3 GLY 57 2HA GLY 57 -7.232 -3.500 13.287 387 H SER 58 H SER 58 -5.913 -3.426 11.529 388 HA SER 58 HA SER 58 -5.633 -1.051 10.070 389 HB2 SER 58 1HB SER 58 -2.972 -1.213 10.337 390 HB3 SER 58 2HB SER 58 -3.941 -0.199 11.388 391 HG SER 58 HG SER 58 -2.502 -2.529 11.977 392 H VAL 59 H VAL 59 -4.733 -1.491 7.960 393 HA VAL 59 HA VAL 59 -4.001 -4.307 7.549 394 HB VAL 59 HB VAL 59 -5.124 -3.748 5.214 395 HG11 VAL 59 1HG1 VAL 59 -7.323 -4.362 6.962 396 HG12 VAL 59 2HG1 VAL 59 -6.408 -5.443 5.883 397 HG13 VAL 59 3HG1 VAL 59 -5.856 -5.177 7.554 398 HG21 VAL 59 1HG2 VAL 59 -5.726 -1.452 5.701 399 HG22 VAL 59 2HG2 VAL 59 -7.207 -2.427 5.550 400 HG23 VAL 59 3HG2 VAL 59 -6.613 -1.954 7.160 401 H GLU 60 H GLU 60 -2.493 -4.688 5.788 402 HA GLU 60 HA GLU 60 -1.210 -2.263 4.835 403 HB2 GLU 60 1HB GLU 60 0.168 -4.616 6.191 404 HB3 GLU 60 2HB GLU 60 1.035 -3.456 5.204 405 HG2 GLU 60 1HG GLU 60 0.182 -1.599 6.681 406 HG3 GLU 60 2HG GLU 60 -0.615 -2.791 7.688 407 H ALA 61 H ALA 61 0.243 -2.705 2.900 408 HA ALA 61 HA ALA 61 0.024 -5.219 1.598 409 HB1 ALA 61 1HB ALA 61 -2.196 -4.649 1.028 410 HB2 ALA 61 2HB ALA 61 -1.788 -2.935 0.779 411 HB3 ALA 61 3HB ALA 61 -1.249 -4.158 -0.396 412 H GLN 62 H GLN 62 1.085 -5.081 -0.631 413 HA GLN 62 HA GLN 62 2.597 -2.689 -1.056 414 HB2 GLN 62 1HB GLN 62 4.787 -4.052 -1.113 415 HB3 GLN 62 2HB GLN 62 4.151 -3.635 0.465 416 HG2 GLN 62 1HG GLN 62 4.580 -5.909 0.775 417 HG3 GLN 62 2HG GLN 62 2.900 -5.971 0.279 418 HE21 GLN 62 1HE2 GLN 62 6.236 -6.285 -0.788 419 HE22 GLN 62 2HE2 GLN 62 5.952 -7.289 -2.170 420 H THR 63 H THR 63 4.154 -3.113 -3.078 421 HA THR 63 HA THR 63 2.530 -4.638 -4.991 422 HB THR 63 HB THR 63 3.685 -3.120 -6.648 423 HG1 THR 63 1HG THR 63 5.613 -2.789 -5.337 424 HG21 THR 63 1HG2 THR 63 2.822 -1.214 -4.489 425 HG22 THR 63 2HG2 THR 63 2.348 -1.266 -6.204 426 HG23 THR 63 3HG2 THR 63 1.605 -2.389 -5.040 427 H ALA 64 H ALA 64 4.023 -5.368 -6.974 428 HA ALA 64 HA ALA 64 5.686 -7.384 -5.834 429 HB1 ALA 64 1HB ALA 64 6.004 -7.990 -8.255 430 HB2 ALA 64 2HB ALA 64 4.298 -7.874 -7.761 431 HB3 ALA 64 3HB ALA 64 5.047 -6.554 -8.691 432 H LEU 65 H LEU 65 7.928 -7.532 -5.800 433 HA LEU 65 HA LEU 65 9.402 -5.236 -5.614 434 HB2 LEU 65 1HB LEU 65 10.024 -8.125 -5.992 435 HB3 LEU 65 2HB LEU 65 11.328 -6.971 -6.190 436 HG LEU 65 HG LEU 65 10.838 -8.107 -3.868 437 HD11 LEU 65 1HD1 LEU 65 12.670 -6.632 -4.122 438 HD12 LEU 65 2HD1 LEU 65 11.607 -5.218 -4.315 439 HD13 LEU 65 3HD1 LEU 65 11.734 -6.027 -2.735 440 HD21 LEU 65 1HD2 LEU 65 9.012 -5.694 -3.711 441 HD22 LEU 65 2HD2 LEU 65 8.472 -7.389 -3.791 442 HD23 LEU 65 3HD2 LEU 65 9.418 -6.821 -2.394 443 H LYS 66 H LYS 66 11.172 -4.392 -7.004 444 HA LYS 66 HA LYS 66 11.057 -5.064 -9.790 445 HB2 LYS 66 1HB LYS 66 9.704 -2.618 -8.728 446 HB3 LYS 66 2HB LYS 66 10.609 -2.470 -10.221 447 HG2 LYS 66 1HG LYS 66 9.136 -4.895 -10.468 448 HG3 LYS 66 2HG LYS 66 8.020 -3.744 -9.758 449 HD2 LYS 66 1HD LYS 66 8.790 -2.088 -11.601 450 HD3 LYS 66 2HD LYS 66 9.564 -3.459 -12.370 451 HE2 LYS 66 1HE LYS 66 7.393 -4.655 -12.497 452 HE3 LYS 66 2HE LYS 66 6.598 -3.350 -11.640 453 HZ1 LYS 66 1HZ LYS 66 8.076 -2.737 -14.068 454 HZ2 LYS 66 2HZ LYS 66 6.593 -3.409 -14.195 455 HZ3 LYS 66 3HZ LYS 66 6.779 -1.977 -13.431 456 H LYS 67 H LYS 67 12.470 -3.060 -10.927 457 HA LYS 67 HA LYS 67 14.912 -3.101 -9.324 458 HB2 LYS 67 1HB LYS 67 15.403 -4.055 -11.370 459 HB3 LYS 67 2HB LYS 67 14.301 -3.019 -12.256 460 HG2 LYS 67 1HG LYS 67 15.874 -1.380 -12.543 461 HG3 LYS 67 2HG LYS 67 16.442 -1.500 -10.889 462 HD2 LYS 67 1HD LYS 67 18.224 -2.169 -12.470 463 HD3 LYS 67 2HD LYS 67 17.764 -3.521 -11.455 464 HE2 LYS 67 1HE LYS 67 17.067 -4.748 -13.244 465 HE3 LYS 67 2HE LYS 67 16.096 -3.428 -13.865 466 HZ1 LYS 67 1HZ LYS 67 17.667 -2.957 -15.316 467 HZ2 LYS 67 2HZ LYS 67 18.843 -2.895 -14.184 468 HZ3 LYS 67 3HZ LYS 67 18.454 -4.320 -14.881 469 H ARG 68 H ARG 68 15.727 -1.283 -8.406 470 HA ARG 68 HA ARG 68 14.209 0.964 -8.211 471 HB2 ARG 68 1HB ARG 68 16.512 0.052 -7.032 472 HB3 ARG 68 2HB ARG 68 17.184 1.329 -8.027 473 HG2 ARG 68 1HG ARG 68 15.799 3.013 -6.988 474 HG3 ARG 68 2HG ARG 68 14.765 1.812 -6.240 475 HD2 ARG 68 1HD ARG 68 17.179 1.058 -5.181 476 HD3 ARG 68 2HD ARG 68 17.478 2.771 -5.401 477 HE ARG 68 HE ARG 68 15.533 1.550 -3.553 478 HH11 ARG 68 2HH2 ARG 68 16.592 4.494 -5.163 479 HH12 ARG 68 1HH2 ARG 68 15.824 5.547 -4.022 480 HH21 ARG 68 2HH1 ARG 68 14.519 2.938 -2.047 481 HH22 ARG 68 1HH1 ARG 68 14.637 4.656 -2.238 482 H GLN 69 H GLN 69 13.941 2.823 -9.457 483 HA GLN 69 HA GLN 69 15.945 3.407 -11.442 484 HB2 GLN 69 1HB GLN 69 13.065 2.703 -12.087 485 HB3 GLN 69 2HB GLN 69 13.987 3.754 -13.143 486 HG2 GLN 69 1HG GLN 69 14.911 0.972 -12.282 487 HG3 GLN 69 2HG GLN 69 14.072 1.300 -13.785 488 HE21 GLN 69 1HE2 GLN 69 16.783 0.286 -13.200 489 HE22 GLN 69 2HE2 GLN 69 17.893 1.309 -14.049 490 H LEU 70 H LEU 70 15.007 5.551 -12.724 491 HA LEU 70 HA LEU 70 14.574 7.424 -10.578 492 HB2 LEU 70 1HB LEU 70 15.692 7.434 -13.247 493 HB3 LEU 70 2HB LEU 70 14.559 8.755 -13.042 494 HG LEU 70 HG LEU 70 16.337 8.543 -10.749 495 HD11 LEU 70 1HD1 LEU 70 17.647 7.698 -12.965 496 HD12 LEU 70 2HD1 LEU 70 17.909 9.455 -13.080 497 HD13 LEU 70 3HD1 LEU 70 18.412 8.574 -11.618 498 HD21 LEU 70 1HD2 LEU 70 14.916 10.501 -12.148 499 HD22 LEU 70 2HD2 LEU 70 15.973 10.734 -10.735 500 HD23 LEU 70 3HD2 LEU 70 16.630 10.921 -12.379 501 H HIS 71 H HIS 71 12.593 5.413 -12.366 502 HA HIS 71 HA HIS 71 10.286 6.795 -11.564 503 HB2 HIS 71 1HB HIS 71 10.985 8.188 -13.542 504 HB3 HIS 71 2HB HIS 71 10.748 6.779 -14.557 505 HD1 HIS 71 1HD HIS 71 8.941 8.525 -15.693 506 HD2 HIS 71 2HD HIS 71 7.967 6.917 -11.943 507 HE1 HIS 71 1HE HIS 71 6.429 8.863 -15.401 508 H THR 72 H THR 72 10.584 4.491 -10.659 509 HA THR 72 HA THR 72 10.160 2.317 -12.451 510 HB THR 72 HB THR 72 9.966 2.637 -9.410 511 HG1 THR 72 1HG THR 72 12.112 2.875 -10.112 512 HG21 THR 72 1HG2 THR 72 10.337 0.085 -11.056 513 HG22 THR 72 2HG2 THR 72 10.161 0.211 -9.290 514 HG23 THR 72 3HG2 THR 72 8.774 0.560 -10.349 515 H THR 73 H THR 73 8.302 0.953 -12.642 516 HA THR 73 HA THR 73 5.793 2.192 -11.777 517 HB THR 73 HB THR 73 4.903 1.863 -14.104 518 HG1 THR 73 1HG THR 73 7.750 1.342 -14.588 519 HG21 THR 73 1HG2 THR 73 5.806 3.819 -14.988 520 HG22 THR 73 2HG2 THR 73 6.438 3.982 -13.332 521 HG23 THR 73 3HG2 THR 73 7.477 3.328 -14.621 522 H TRP 74 H TRP 74 4.000 0.732 -11.627 523 HA TRP 74 HA TRP 74 4.859 -2.081 -11.629 524 HB2 TRP 74 1HB TRP 74 3.296 -0.554 -9.555 525 HB3 TRP 74 2HB TRP 74 3.200 -2.298 -9.692 526 HD1 TRP 74 HD TRP 74 5.317 -3.702 -8.794 527 HE1 TRP 74 1HE TRP 74 7.487 -3.159 -7.394 528 HE3 TRP 74 3HE TRP 74 4.994 1.350 -9.269 529 HZ2 TRP 74 2HZ TRP 74 8.795 -0.732 -6.659 530 HZ3 TRP 74 3HZ TRP 74 6.759 2.734 -8.179 531 HH2 TRP 74 HH TRP 74 8.612 1.771 -6.910 532 H GLU 75 H GLU 75 2.627 -3.463 -11.454 533 HA GLU 75 HA GLU 75 0.949 -2.329 -13.549 534 HB2 GLU 75 1HB GLU 75 2.154 -4.430 -14.135 535 HB3 GLU 75 2HB GLU 75 1.398 -5.248 -12.782 536 HG2 GLU 75 1HG GLU 75 -0.871 -4.465 -13.881 537 HG3 GLU 75 2HG GLU 75 0.096 -4.210 -15.320 538 H GLU 76 H GLU 76 1.053 -3.752 -10.293 539 HA GLU 76 HA GLU 76 -1.845 -3.467 -10.171 540 HB2 GLU 76 1HB GLU 76 -1.787 -5.034 -8.282 541 HB3 GLU 76 2HB GLU 76 -0.983 -5.741 -9.669 542 HG2 GLU 76 1HG GLU 76 1.233 -4.885 -8.692 543 HG3 GLU 76 2HG GLU 76 0.347 -4.455 -7.243 544 H GLY 77 H GLY 77 -2.596 -2.882 -7.781 545 HA2 GLY 77 1HA GLY 77 -0.864 -0.672 -6.845 546 HA3 GLY 77 2HA GLY 77 -2.614 -0.597 -6.908 547 H LEU 78 H LEU 78 -2.347 -0.053 -4.538 548 HA LEU 78 HA LEU 78 -2.008 -2.519 -2.976 549 HB2 LEU 78 1HB LEU 78 -1.611 0.311 -2.007 550 HB3 LEU 78 2HB LEU 78 -1.274 -1.172 -1.137 551 HG LEU 78 HG LEU 78 0.160 -0.405 -3.689 552 HD11 LEU 78 1HD1 LEU 78 0.427 1.299 -1.840 553 HD12 LEU 78 2HD1 LEU 78 1.217 0.019 -0.888 554 HD13 LEU 78 3HD1 LEU 78 1.928 0.547 -2.432 555 HD21 LEU 78 1HD2 LEU 78 1.873 -2.002 -2.801 556 HD22 LEU 78 2HD2 LEU 78 0.709 -2.461 -1.535 557 HD23 LEU 78 3HD2 LEU 78 0.320 -2.748 -3.248 558 H VAL 79 H VAL 79 -3.875 -3.341 -2.216 559 HA VAL 79 HA VAL 79 -6.074 -1.435 -1.799 560 HB VAL 79 HB VAL 79 -7.077 -2.693 -3.337 561 HG11 VAL 79 1HG1 VAL 79 -5.140 -4.966 -2.781 562 HG12 VAL 79 2HG1 VAL 79 -6.294 -4.872 -4.134 563 HG13 VAL 79 3HG1 VAL 79 -4.946 -3.714 -4.031 564 HG21 VAL 79 1HG2 VAL 79 -8.197 -4.719 -2.507 565 HG22 VAL 79 2HG2 VAL 79 -7.087 -4.766 -1.117 566 HG23 VAL 79 3HG2 VAL 79 -8.230 -3.414 -1.297 567 H LEU 80 H LEU 80 -7.076 -1.400 0.195 568 HA LEU 80 HA LEU 80 -6.284 -3.486 2.087 569 HB2 LEU 80 1HB LEU 80 -6.313 -0.569 2.833 570 HB3 LEU 80 2HB LEU 80 -5.739 -1.928 3.779 571 HG LEU 80 HG LEU 80 -4.297 -1.735 1.261 572 HD11 LEU 80 1HD1 LEU 80 -3.469 0.544 2.920 573 HD12 LEU 80 2HD1 LEU 80 -3.594 0.387 1.152 574 HD13 LEU 80 3HD1 LEU 80 -5.043 0.757 2.117 575 HD21 LEU 80 1HD2 LEU 80 -2.785 -1.223 3.696 576 HD22 LEU 80 2HD2 LEU 80 -3.861 -2.632 3.854 577 HD23 LEU 80 3HD2 LEU 80 -2.670 -2.566 2.533 578 HA PRO 81 HA PRO 81 -10.540 -3.382 2.853 579 HB2 PRO 81 1HB PRO 81 -10.638 -4.965 5.078 580 HB3 PRO 81 2HB PRO 81 -10.549 -5.606 3.449 581 HG2 PRO 81 1HG PRO 81 -8.426 -5.456 5.500 582 HG3 PRO 81 2HG PRO 81 -8.491 -6.449 4.058 583 HD2 PRO 81 1HD PRO 81 -6.951 -4.057 4.427 584 HD3 PRO 81 2HD PRO 81 -7.107 -4.986 2.949 585 H LEU 82 H LEU 82 -11.966 -1.962 3.664 586 HA LEU 82 HA LEU 82 -11.585 -1.086 6.360 587 HB2 LEU 82 1HB LEU 82 -9.971 0.370 5.553 588 HB3 LEU 82 2HB LEU 82 -10.823 0.662 4.050 589 HG LEU 82 HG LEU 82 -12.618 1.814 5.525 590 HD11 LEU 82 1HD1 LEU 82 -10.288 1.690 7.450 591 HD12 LEU 82 2HD1 LEU 82 -11.622 2.861 7.585 592 HD13 LEU 82 3HD1 LEU 82 -11.954 1.117 7.700 593 HD21 LEU 82 1HD2 LEU 82 -10.353 2.723 4.155 594 HD22 LEU 82 2HD2 LEU 82 -11.783 3.669 4.635 595 HD23 LEU 82 3HD2 LEU 82 -10.356 3.612 5.698 596 H ALA 83 H ALA 83 -13.459 0.021 7.169 597 HA ALA 83 HA ALA 83 -15.797 -0.543 5.546 598 HB1 ALA 83 1HB ALA 83 -16.568 0.553 8.016 599 HB2 ALA 83 2HB ALA 83 -16.506 -1.173 7.587 600 HB3 ALA 83 3HB ALA 83 -15.109 -0.402 8.377 601 H GLU 84 H GLU 84 -17.111 1.000 4.620 602 HA GLU 84 HA GLU 84 -16.061 3.460 4.066 603 HB2 GLU 84 1HB GLU 84 -17.956 2.202 2.883 604 HB3 GLU 84 2HB GLU 84 -19.037 2.811 4.121 605 HG2 GLU 84 1HG GLU 84 -17.724 5.131 3.362 606 HG3 GLU 84 2HG GLU 84 -17.763 4.249 1.848 607 H GLU 85 H GLU 85 -17.774 2.330 6.915 608 HA GLU 85 HA GLU 85 -18.560 4.942 7.729 609 HB2 GLU 85 1HB GLU 85 -19.560 3.880 9.590 610 HB3 GLU 85 2HB GLU 85 -19.709 2.696 8.307 611 HG2 GLU 85 1HG GLU 85 -17.287 1.939 9.278 612 HG3 GLU 85 2HG GLU 85 -17.941 2.656 10.737 613 H GLU 86 H GLU 86 -15.599 3.357 7.546 614 HA GLU 86 HA GLU 86 -14.620 4.805 9.883 615 HB2 GLU 86 1HB GLU 86 -13.310 2.410 8.525 616 HB3 GLU 86 2HB GLU 86 -12.797 3.174 10.017 617 HG2 GLU 86 1HG GLU 86 -15.488 2.592 10.520 618 HG3 GLU 86 2HG GLU 86 -14.973 1.222 9.556 619 H LEU 87 H LEU 87 -14.863 4.881 6.532 620 HA LEU 87 HA LEU 87 -12.417 5.401 5.513 621 HB2 LEU 87 1HB LEU 87 -15.163 6.407 4.969 622 HB3 LEU 87 2HB LEU 87 -13.830 7.241 4.195 623 HG LEU 87 HG LEU 87 -14.230 4.248 3.997 624 HD11 LEU 87 1HD1 LEU 87 -16.009 6.086 2.999 625 HD12 LEU 87 2HD1 LEU 87 -14.905 5.837 1.625 626 HD13 LEU 87 3HD1 LEU 87 -15.739 4.447 2.359 627 HD21 LEU 87 1HD2 LEU 87 -12.594 4.237 2.358 628 HD22 LEU 87 2HD2 LEU 87 -12.754 5.980 2.033 629 HD23 LEU 87 3HD2 LEU 87 -11.962 5.423 3.526 630 HA PRO 88 HA PRO 88 -12.601 9.774 7.300 631 HB2 PRO 88 1HB PRO 88 -14.504 10.418 9.154 632 HB3 PRO 88 2HB PRO 88 -14.673 10.768 7.445 633 HG2 PRO 88 1HG PRO 88 -15.991 8.660 9.045 634 HG3 PRO 88 2HG PRO 88 -16.448 9.295 7.476 635 HD2 PRO 88 1HD PRO 88 -15.142 6.796 8.002 636 HD3 PRO 88 2HD PRO 88 -15.494 7.485 6.429 637 H THR 89 H THR 89 -13.337 7.107 9.357 638 HA THR 89 HA THR 89 -11.564 8.226 11.405 639 HB THR 89 HB THR 89 -12.706 6.778 12.896 640 HG1 THR 89 1HG THR 89 -12.350 4.824 11.689 641 HG21 THR 89 1HG2 THR 89 -14.347 8.261 11.183 642 HG22 THR 89 2HG2 THR 89 -15.011 6.616 11.038 643 HG23 THR 89 3HG2 THR 89 -14.905 7.396 12.634 644 H ALA 90 H ALA 90 -10.610 7.288 8.732 645 HA ALA 90 HA ALA 90 -8.671 5.390 9.805 646 HB1 ALA 90 1HB ALA 90 -8.887 3.930 7.881 647 HB2 ALA 90 2HB ALA 90 -10.491 4.113 8.629 648 HB3 ALA 90 3HB ALA 90 -10.095 5.009 7.142 649 H THR 91 H THR 91 -6.620 5.444 8.649 650 HA THR 91 HA THR 91 -6.361 7.602 6.694 651 HB THR 91 HB THR 91 -4.402 7.423 9.002 652 HG1 THR 91 1HG THR 91 -6.953 8.868 8.842 653 HG21 THR 91 1HG2 THR 91 -4.220 9.022 6.924 654 HG22 THR 91 2HG2 THR 91 -5.593 9.884 7.658 655 HG23 THR 91 3HG2 THR 91 -4.054 9.744 8.542 656 H LEU 92 H LEU 92 -4.815 7.263 5.136 657 HA LEU 92 HA LEU 92 -3.592 4.609 5.260 658 HB2 LEU 92 1HB LEU 92 -4.875 4.709 3.355 659 HB3 LEU 92 2HB LEU 92 -4.529 6.402 3.065 660 HG LEU 92 HG LEU 92 -2.179 5.748 2.444 661 HD11 LEU 92 1HD1 LEU 92 -2.595 3.050 1.711 662 HD12 LEU 92 2HD1 LEU 92 -1.443 3.708 2.898 663 HD13 LEU 92 3HD1 LEU 92 -3.067 3.199 3.421 664 HD21 LEU 92 1HD2 LEU 92 -4.548 4.758 0.855 665 HD22 LEU 92 2HD2 LEU 92 -3.630 6.271 0.667 666 HD23 LEU 92 3HD2 LEU 92 -2.884 4.717 0.223 667 H THR 93 H THR 93 -1.344 4.324 4.726 668 HA THR 93 HA THR 93 0.257 6.759 4.625 669 HB THR 93 HB THR 93 0.312 4.652 6.834 670 HG1 THR 93 1HG THR 93 -0.040 6.595 8.026 671 HG21 THR 93 1HG2 THR 93 2.384 6.821 6.206 672 HG22 THR 93 2HG2 THR 93 2.357 5.800 7.664 673 HG23 THR 93 3HG2 THR 93 2.672 5.069 6.071 674 H LEU 94 H LEU 94 1.383 6.537 2.798 675 HA LEU 94 HA LEU 94 2.058 3.873 1.904 676 HB2 LEU 94 1HB LEU 94 2.050 6.618 0.739 677 HB3 LEU 94 2HB LEU 94 3.128 5.426 0.039 678 HG LEU 94 HG LEU 94 1.420 4.149 -0.814 679 HD11 LEU 94 1HD1 LEU 94 -0.346 5.246 1.383 680 HD12 LEU 94 2HD1 LEU 94 -0.952 4.251 0.037 681 HD13 LEU 94 3HD1 LEU 94 0.246 3.581 1.170 682 HD21 LEU 94 1HD2 LEU 94 1.022 7.005 -1.023 683 HD22 LEU 94 2HD2 LEU 94 0.826 5.732 -2.252 684 HD23 LEU 94 3HD2 LEU 94 -0.526 6.137 -1.168 685 H THR 95 H THR 95 4.178 3.062 1.642 686 HA THR 95 HA THR 95 6.363 4.707 2.637 687 HB THR 95 HB THR 95 6.797 2.314 3.982 688 HG1 THR 95 1HG THR 95 3.980 3.137 4.079 689 HG21 THR 95 1HG2 THR 95 6.443 4.970 4.720 690 HG22 THR 95 2HG2 THR 95 5.028 4.192 5.469 691 HG23 THR 95 3HG2 THR 95 6.669 3.631 5.870 692 H LEU 96 H LEU 96 8.204 4.401 1.515 693 HA LEU 96 HA LEU 96 8.125 2.235 -0.445 694 HB2 LEU 96 1HB LEU 96 8.344 4.400 -1.407 695 HB3 LEU 96 2HB LEU 96 9.631 4.841 -0.303 696 HG LEU 96 HG LEU 96 11.097 3.132 -1.359 697 HD11 LEU 96 1HD1 LEU 96 10.471 1.726 -3.017 698 HD12 LEU 96 2HD1 LEU 96 8.870 1.938 -2.268 699 HD13 LEU 96 3HD1 LEU 96 9.308 2.879 -3.715 700 HD21 LEU 96 1HD2 LEU 96 10.293 4.739 -3.694 701 HD22 LEU 96 2HD2 LEU 96 10.542 5.665 -2.194 702 HD23 LEU 96 3HD2 LEU 96 11.850 4.643 -2.836 703 H ARG 97 H ARG 97 8.887 0.395 0.533 704 HA ARG 97 HA ARG 97 11.241 0.690 2.178 705 HB2 ARG 97 1HB ARG 97 10.010 -2.011 1.720 706 HB3 ARG 97 2HB ARG 97 10.621 -1.310 3.206 707 HG2 ARG 97 1HG ARG 97 8.520 0.365 2.802 708 HG3 ARG 97 2HG ARG 97 7.904 -1.036 1.949 709 HD2 ARG 97 1HD ARG 97 8.925 -1.056 4.832 710 HD3 ARG 97 2HD ARG 97 7.236 -1.024 4.366 711 HE ARG 97 HE ARG 97 8.790 -3.242 3.200 712 HH11 ARG 97 2HH2 ARG 97 6.729 -2.183 5.849 713 HH12 ARG 97 1HH2 ARG 97 6.263 -3.789 6.298 714 HH21 ARG 97 2HH1 ARG 97 8.175 -5.362 3.792 715 HH22 ARG 97 1HH1 ARG 97 7.091 -5.610 5.120 716 H THR 98 H THR 98 13.209 -0.524 1.746 717 HA THR 98 HA THR 98 13.425 -1.348 -1.069 718 HB THR 98 HB THR 98 15.881 -0.849 -0.661 719 HG1 THR 98 1HG THR 98 16.291 0.147 1.443 720 HG21 THR 98 1HG2 THR 98 14.374 1.011 -1.480 721 HG22 THR 98 2HG2 THR 98 14.026 1.427 0.215 722 HG23 THR 98 3HG2 THR 98 15.678 1.606 -0.423 723 H CYS 99 H CYS 99 14.327 -3.317 -1.660 724 HA CYS 99 HA CYS 99 13.809 -5.422 0.066 725 HB2 CYS 99 1HB CYS 99 13.795 -5.758 -2.320 726 HB3 CYS 99 2HB CYS 99 15.476 -5.285 -2.463 727 HG CYS 99 HG CYS 99 14.683 -7.603 -0.299 728 H ASP 100 H ASP 100 15.031 -6.358 1.693 729 HA ASP 100 HA ASP 100 17.835 -6.298 1.623 730 HB2 ASP 100 1HB ASP 100 18.039 -5.023 3.853 731 HB3 ASP 100 2HB ASP 100 17.755 -4.055 2.420 732 H ARG 101 H ARG 101 18.646 -7.152 3.968 733 HA ARG 101 HA ARG 101 17.678 -9.540 4.445 734 HB2 ARG 101 1HB ARG 101 19.638 -8.231 5.591 735 HB3 ARG 101 2HB ARG 101 18.459 -7.775 6.804 736 HG2 ARG 101 1HG ARG 101 17.967 -10.190 7.237 737 HG3 ARG 101 2HG ARG 101 19.141 -10.649 6.019 738 HD2 ARG 101 1HD ARG 101 20.184 -8.773 8.091 739 HD3 ARG 101 2HD ARG 101 19.713 -10.344 8.707 740 HE ARG 101 HE ARG 101 22.057 -9.802 7.173 741 HH11 ARG 101 2HH2 ARG 101 19.467 -12.178 7.343 742 HH12 ARG 101 1HH2 ARG 101 20.432 -13.464 6.700 743 HH21 ARG 101 2HH1 ARG 101 23.330 -11.498 6.324 744 HH22 ARG 101 1HH1 ARG 101 22.644 -13.075 6.116 745 H PHE 102 H PHE 102 16.610 -6.569 6.264 746 HA PHE 102 HA PHE 102 13.953 -7.665 6.444 747 HB2 PHE 102 1HB PHE 102 15.740 -7.013 8.865 748 HB3 PHE 102 2HB PHE 102 14.024 -7.347 8.989 749 HD1 PHE 102 1HD PHE 102 13.514 -9.656 7.429 750 HD2 PHE 102 2HD PHE 102 16.987 -8.754 9.696 751 HE1 PHE 102 1HE PHE 102 14.008 -12.107 7.649 752 HE2 PHE 102 2HE PHE 102 17.481 -11.205 9.915 753 HZ PHE 102 HZ PHE 102 15.985 -12.852 8.889 754 H SER 103 H SER 103 13.081 -5.879 5.396 755 HA SER 103 HA SER 103 13.986 -3.284 5.910 756 HB2 SER 103 1HB SER 103 12.245 -4.568 4.078 757 HB3 SER 103 2HB SER 103 11.244 -3.388 4.902 758 HG SER 103 HG SER 103 12.544 -1.713 4.196 759 H ARG 104 H ARG 104 13.779 -3.925 8.433 760 HA ARG 104 HA ARG 104 11.097 -3.311 9.324 761 HB2 ARG 104 1HB ARG 104 11.927 -4.044 11.568 762 HB3 ARG 104 2HB ARG 104 12.177 -5.281 10.352 763 HG2 ARG 104 1HG ARG 104 14.540 -4.662 10.116 764 HG3 ARG 104 2HG ARG 104 14.327 -3.267 11.155 765 HD2 ARG 104 1HD ARG 104 15.339 -5.046 12.482 766 HD3 ARG 104 2HD ARG 104 13.698 -4.816 13.051 767 HE ARG 104 HE ARG 104 13.713 -6.807 10.974 768 HH11 ARG 104 2HH2 ARG 104 14.648 -6.350 14.335 769 HH12 ARG 104 1HH2 ARG 104 14.486 -8.026 14.742 770 HH21 ARG 104 2HH1 ARG 104 13.499 -9.019 11.509 771 HH22 ARG 104 1HH1 ARG 104 13.828 -9.554 13.123 772 H HIS 105 H HIS 105 10.618 -1.424 10.532 773 HA HIS 105 HA HIS 105 10.831 0.693 11.092 774 HB2 HIS 105 1HB HIS 105 13.281 -0.547 12.324 775 HB3 HIS 105 2HB HIS 105 12.980 1.170 12.500 776 HD1 HIS 105 1HD HIS 105 12.909 -0.977 14.864 777 HD2 HIS 105 2HD HIS 105 9.580 0.641 12.889 778 HE1 HIS 105 1HE HIS 105 10.940 -1.216 16.469 779 H SER 106 H SER 106 11.969 -0.260 8.426 780 HA SER 106 HA SER 106 13.653 2.085 8.010 781 HB2 SER 106 1HB SER 106 13.921 -0.719 6.873 782 HB3 SER 106 2HB SER 106 14.636 0.658 6.058 783 HG SER 106 HG SER 106 16.018 -0.557 7.664 784 H VAL 107 H VAL 107 12.816 3.520 6.527 785 HA VAL 107 HA VAL 107 11.064 2.466 4.450 786 HB VAL 107 HB VAL 107 10.331 4.443 6.586 787 HG11 VAL 107 1HG1 VAL 107 9.170 4.310 3.786 788 HG12 VAL 107 2HG1 VAL 107 8.381 5.118 5.161 789 HG13 VAL 107 3HG1 VAL 107 9.955 5.702 4.570 790 HG21 VAL 107 1HG2 VAL 107 8.449 3.106 6.919 791 HG22 VAL 107 2HG2 VAL 107 8.544 2.388 5.293 792 HG23 VAL 107 3HG2 VAL 107 9.719 1.917 6.544 793 H ALA 108 H ALA 108 11.881 3.159 2.549 794 HA ALA 108 HA ALA 108 13.905 5.079 2.409 795 HB1 ALA 108 1HB ALA 108 13.178 3.131 0.805 796 HB2 ALA 108 2HB ALA 108 12.123 4.368 0.079 797 HB3 ALA 108 3HB ALA 108 13.886 4.613 0.118 798 H GLY 109 H GLY 109 10.405 5.319 2.547 799 HA2 GLY 109 1HA GLY 109 10.438 8.105 2.880 800 HA3 GLY 109 2HA GLY 109 10.026 7.759 1.213 801 H GLU 110 H GLU 110 8.597 8.545 4.015 802 HA GLU 110 HA GLU 110 6.415 6.646 3.661 803 HB2 GLU 110 1HB GLU 110 7.002 6.464 5.911 804 HB3 GLU 110 2HB GLU 110 7.494 8.142 6.037 805 HG2 GLU 110 1HG GLU 110 5.095 8.852 5.882 806 HG3 GLU 110 2HG GLU 110 4.608 7.173 5.769 807 H LEU 111 H LEU 111 4.318 7.393 3.205 808 HA LEU 111 HA LEU 111 4.048 10.305 2.965 809 HB2 LEU 111 1HB LEU 111 4.239 8.502 0.843 810 HB3 LEU 111 2HB LEU 111 2.523 8.825 0.990 811 HG LEU 111 HG LEU 111 4.396 11.159 0.998 812 HD11 LEU 111 1HD1 LEU 111 5.388 10.266 -0.856 813 HD12 LEU 111 2HD1 LEU 111 3.952 9.318 -1.312 814 HD13 LEU 111 3HD1 LEU 111 3.994 11.071 -1.617 815 HD21 LEU 111 1HD2 LEU 111 2.145 11.743 1.331 816 HD22 LEU 111 2HD2 LEU 111 2.465 12.096 -0.384 817 HD23 LEU 111 3HD2 LEU 111 1.574 10.624 0.071 818 H ARG 112 H ARG 112 1.944 11.140 3.399 819 HA ARG 112 HA ARG 112 0.265 9.167 4.728 820 HB2 ARG 112 1HB ARG 112 1.332 11.706 5.630 821 HB3 ARG 112 2HB ARG 112 -0.413 11.849 5.554 822 HG2 ARG 112 1HG ARG 112 1.014 9.528 6.931 823 HG3 ARG 112 2HG ARG 112 0.515 10.982 7.773 824 HD2 ARG 112 1HD ARG 112 -1.768 10.121 6.284 825 HD3 ARG 112 2HD ARG 112 -1.093 8.674 7.005 826 HE ARG 112 HE ARG 112 -2.417 10.835 8.411 827 HH11 ARG 112 2HH2 ARG 112 0.125 8.425 8.751 828 HH12 ARG 112 1HH2 ARG 112 0.009 8.361 10.478 829 HH21 ARG 112 2HH1 ARG 112 -2.571 10.750 10.689 830 HH22 ARG 112 1HH1 ARG 112 -1.535 9.692 11.588 831 H LEU 113 H LEU 113 -2.033 9.265 4.347 832 HA LEU 113 HA LEU 113 -2.996 11.319 2.544 833 HB2 LEU 113 1HB LEU 113 -3.195 8.389 1.836 834 HB3 LEU 113 2HB LEU 113 -3.903 9.726 0.952 835 HG LEU 113 HG LEU 113 -0.924 9.329 1.344 836 HD11 LEU 113 1HD1 LEU 113 -1.903 7.496 0.032 837 HD12 LEU 113 2HD1 LEU 113 -2.618 8.683 -1.086 838 HD13 LEU 113 3HD1 LEU 113 -0.849 8.537 -0.954 839 HD21 LEU 113 1HD2 LEU 113 -2.359 11.611 0.600 840 HD22 LEU 113 2HD2 LEU 113 -0.613 11.321 0.410 841 HD23 LEU 113 3HD2 LEU 113 -1.729 10.942 -0.924 842 H GLY 114 H GLY 114 -5.500 10.837 2.166 843 HA2 GLY 114 1HA GLY 114 -6.610 9.762 4.685 844 HA3 GLY 114 2HA GLY 114 -7.081 11.334 4.070 845 H LEU 115 H LEU 115 -8.647 8.753 4.489 846 HA LEU 115 HA LEU 115 -9.502 8.357 1.707 847 HB2 LEU 115 1HB LEU 115 -10.311 6.471 3.853 848 HB3 LEU 115 2HB LEU 115 -9.987 6.183 2.155 849 HG LEU 115 HG LEU 115 -8.233 5.087 3.164 850 HD11 LEU 115 1HD1 LEU 115 -6.497 7.395 3.201 851 HD12 LEU 115 2HD1 LEU 115 -6.571 6.042 2.047 852 HD13 LEU 115 3HD1 LEU 115 -7.611 7.468 1.815 853 HD21 LEU 115 1HD2 LEU 115 -8.908 6.190 5.448 854 HD22 LEU 115 2HD2 LEU 115 -7.282 5.504 5.213 855 HD23 LEU 115 3HD2 LEU 115 -7.531 7.263 5.100 856 H ASP 116 H ASP 116 -10.178 10.680 3.392 857 HA ASP 116 HA ASP 116 -12.929 10.093 4.070 858 HB2 ASP 116 1HB ASP 116 -12.803 12.569 4.884 859 HB3 ASP 116 2HB ASP 116 -11.933 11.353 5.799 860 H GLY 117 H GLY 117 -10.795 12.013 1.910 861 HA2 GLY 117 1HA GLY 117 -11.566 12.431 -0.328 862 HA3 GLY 117 2HA GLY 117 -13.167 12.753 0.308 863 H THR 118 H THR 118 -10.098 13.861 1.818 864 HA THR 118 HA THR 118 -10.873 16.615 1.107 865 HB THR 118 HB THR 118 -9.846 15.362 3.691 866 HG1 THR 118 1HG THR 118 -11.945 17.227 2.827 867 HG21 THR 118 1HG2 THR 118 -8.532 17.501 3.126 868 HG22 THR 118 2HG2 THR 118 -10.096 18.351 3.093 869 HG23 THR 118 3HG2 THR 118 -9.524 17.598 4.601 870 H SER 119 H SER 119 -7.913 15.391 2.719 871 HA SER 119 HA SER 119 -6.189 16.965 1.460 872 HB2 SER 119 1HB SER 119 -5.713 14.027 2.136 873 HB3 SER 119 2HB SER 119 -4.453 15.220 1.891 874 HG SER 119 HG SER 119 -5.216 16.390 3.734 875 H VAL 120 H VAL 120 -6.727 13.518 0.396 876 HA VAL 120 HA VAL 120 -6.177 14.438 -2.342 877 HB VAL 120 HB VAL 120 -5.556 11.852 -2.483 878 HG11 VAL 120 1HG1 VAL 120 -3.563 13.820 -1.330 879 HG12 VAL 120 2HG1 VAL 120 -3.267 12.481 -2.465 880 HG13 VAL 120 3HG1 VAL 120 -4.165 13.921 -3.002 881 HG21 VAL 120 1HG2 VAL 120 -4.245 11.226 -0.435 882 HG22 VAL 120 2HG2 VAL 120 -5.002 12.602 0.404 883 HG23 VAL 120 3HG2 VAL 120 -6.009 11.263 -0.198 884 HA PRO 121 HA PRO 121 -10.190 12.958 -3.082 885 HB2 PRO 121 1HB PRO 121 -10.252 13.287 -5.794 886 HB3 PRO 121 2HB PRO 121 -10.570 14.587 -4.664 887 HG2 PRO 121 1HG PRO 121 -8.154 14.100 -6.295 888 HG3 PRO 121 2HG PRO 121 -8.664 15.578 -5.504 889 HD2 PRO 121 1HD PRO 121 -6.615 13.777 -4.619 890 HD3 PRO 121 2HD PRO 121 -7.205 15.191 -3.769 891 H LEU 122 H LEU 122 -11.441 11.357 -4.499 892 HA LEU 122 HA LEU 122 -9.716 9.004 -4.588 893 HB2 LEU 122 1HB LEU 122 -12.700 9.390 -4.419 894 HB3 LEU 122 2HB LEU 122 -11.971 7.835 -4.768 895 HG LEU 122 HG LEU 122 -11.375 9.452 -2.277 896 HD11 LEU 122 1HD1 LEU 122 -13.615 8.948 -1.973 897 HD12 LEU 122 2HD1 LEU 122 -13.496 7.399 -2.841 898 HD13 LEU 122 3HD1 LEU 122 -12.801 7.561 -1.211 899 HD21 LEU 122 1HD2 LEU 122 -10.819 6.871 -1.658 900 HD22 LEU 122 2HD2 LEU 122 -10.379 6.899 -3.383 901 HD23 LEU 122 3HD2 LEU 122 -9.620 8.045 -2.252 902 H GLY 123 H GLY 123 -9.863 7.519 -6.436 903 HA2 GLY 123 1HA GLY 123 -9.717 7.112 -8.641 904 HA3 GLY 123 2HA GLY 123 -11.196 8.037 -8.805 905 H ALA 124 H ALA 124 -8.433 9.679 -7.371 906 HA ALA 124 HA ALA 124 -7.826 10.912 -9.964 907 HB1 ALA 124 1HB ALA 124 -8.141 12.408 -7.333 908 HB2 ALA 124 2HB ALA 124 -7.858 13.104 -8.947 909 HB3 ALA 124 3HB ALA 124 -9.408 12.310 -8.579 910 H ALA 125 H ALA 125 -5.821 10.006 -10.309 911 HA ALA 125 HA ALA 125 -4.032 9.409 -8.224 912 HB1 ALA 125 1HB ALA 125 -4.292 8.770 -10.878 913 HB2 ALA 125 2HB ALA 125 -2.924 9.908 -10.928 914 HB3 ALA 125 3HB ALA 125 -2.836 8.454 -9.904 915 H GLN 126 H GLN 126 -2.378 10.580 -7.281 916 HA GLN 126 HA GLN 126 -1.959 13.246 -8.374 917 HB2 GLN 126 1HB GLN 126 -2.059 12.667 -5.389 918 HB3 GLN 126 2HB GLN 126 -1.991 14.235 -6.168 919 HG2 GLN 126 1HG GLN 126 -4.259 13.014 -7.314 920 HG3 GLN 126 2HG GLN 126 -4.322 12.518 -5.634 921 HE21 GLN 126 1HE2 GLN 126 -6.009 14.358 -7.159 922 HE22 GLN 126 2HE2 GLN 126 -5.993 15.878 -6.329 923 H TRP 127 H TRP 127 0.175 14.220 -7.685 924 HA TRP 127 HA TRP 127 2.144 12.065 -7.380 925 HB2 TRP 127 1HB TRP 127 2.113 14.659 -8.854 926 HB3 TRP 127 2HB TRP 127 3.641 14.091 -8.212 927 HD1 TRP 127 HD TRP 127 1.252 13.480 -11.076 928 HE1 TRP 127 1HE TRP 127 2.111 11.597 -12.715 929 HE3 TRP 127 3HE TRP 127 4.995 11.825 -8.057 930 HZ2 TRP 127 2HZ TRP 127 4.211 9.671 -12.567 931 HZ3 TRP 127 3HZ TRP 127 6.403 9.940 -8.880 932 HH2 TRP 127 HH TRP 127 6.060 8.870 -11.051 933 H GLY 128 H GLY 128 2.288 11.865 -5.126 934 HA2 GLY 128 1HA GLY 128 2.710 14.345 -3.590 935 HA3 GLY 128 2HA GLY 128 2.190 12.798 -2.952 936 H GLU 129 H GLU 129 4.529 14.558 -2.205 937 HA GLU 129 HA GLU 129 6.765 12.977 -3.084 938 HB2 GLU 129 1HB GLU 129 6.351 15.640 -1.886 939 HB3 GLU 129 2HB GLU 129 7.700 14.785 -1.165 940 HG2 GLU 129 1HG GLU 129 8.913 15.506 -2.953 941 HG3 GLU 129 2HG GLU 129 8.084 14.262 -3.867 942 H LEU 130 H LEU 130 8.243 11.901 -1.562 943 HA LEU 130 HA LEU 130 6.764 10.628 0.548 944 HB2 LEU 130 1HB LEU 130 9.531 10.277 -0.594 945 HB3 LEU 130 2HB LEU 130 8.969 9.388 0.808 946 HG LEU 130 HG LEU 130 7.526 9.329 -1.850 947 HD11 LEU 130 1HD1 LEU 130 9.330 8.266 -2.650 948 HD12 LEU 130 2HD1 LEU 130 10.012 7.984 -1.030 949 HD13 LEU 130 3HD1 LEU 130 8.756 6.897 -1.669 950 HD21 LEU 130 1HD2 LEU 130 7.132 6.942 -0.463 951 HD22 LEU 130 2HD2 LEU 130 7.022 8.211 0.780 952 HD23 LEU 130 3HD2 LEU 130 5.973 8.279 -0.656 953 H LYS 131 H LYS 131 6.922 10.989 2.730 954 HA LYS 131 HA LYS 131 8.438 13.343 3.486 955 HB2 LYS 131 1HB LYS 131 6.332 11.690 4.903 956 HB3 LYS 131 2HB LYS 131 7.170 13.033 5.652 957 HG2 LYS 131 1HG LYS 131 5.613 13.249 3.033 958 HG3 LYS 131 2HG LYS 131 4.942 13.649 4.602 959 HD2 LYS 131 1HD LYS 131 5.742 15.750 4.237 960 HD3 LYS 131 2HD LYS 131 7.318 15.090 4.624 961 HE2 LYS 131 1HE LYS 131 7.986 14.979 2.389 962 HE3 LYS 131 2HE LYS 131 6.355 14.733 1.796 963 HZ1 LYS 131 1HZ LYS 131 7.389 16.968 1.408 964 HZ2 LYS 131 2HZ LYS 131 5.883 16.980 2.040 965 HZ3 LYS 131 3HZ LYS 131 7.173 17.274 2.998 966 H THR 132 H THR 132 10.339 11.668 2.796 967 HA THR 132 HA THR 132 11.165 9.598 4.295 968 HB THR 132 HB THR 132 13.473 10.387 3.700 969 HG1 THR 132 1HG THR 132 13.690 12.583 3.386 970 HG21 THR 132 1HG2 THR 132 11.674 9.647 1.865 971 HG22 THR 132 2HG2 THR 132 11.722 11.373 1.431 972 HG23 THR 132 3HG2 THR 132 13.207 10.394 1.354 973 H SER 133 H SER 133 11.566 9.126 6.361 974 HA SER 133 HA SER 133 12.902 10.848 8.055 975 HB2 SER 133 1HB SER 133 10.203 11.594 7.808 976 HB3 SER 133 2HB SER 133 10.239 10.666 9.294 977 HG SER 133 HG SER 133 11.517 12.150 10.263 978 H GLY 134 H GLY 134 13.948 8.708 8.182 979 HA2 GLY 134 1HA GLY 134 12.406 6.732 9.748 980 HA3 GLY 134 2HA GLY 134 13.731 6.364 8.663 981 HA PRO 135 HA PRO 135 15.232 7.242 12.998 982 HB2 PRO 135 1HB PRO 135 15.169 4.785 14.191 983 HB3 PRO 135 2HB PRO 135 13.930 6.000 14.435 984 HG2 PRO 135 1HG PRO 135 13.815 3.537 12.805 985 HG3 PRO 135 2HG PRO 135 12.494 4.522 13.399 986 HD2 PRO 135 1HD PRO 135 13.522 4.465 10.722 987 HD3 PRO 135 2HD PRO 135 12.280 5.532 11.345 988 H SER 136 H SER 136 15.931 3.865 12.353 989 HA SER 136 HA SER 136 18.614 4.167 12.684 990 HB2 SER 136 1HB SER 136 18.729 2.018 11.225 991 HB3 SER 136 2HB SER 136 17.797 1.956 12.708 992 HG SER 136 HG SER 136 16.657 2.512 10.103 993 H SER 137 H SER 137 16.590 4.542 9.735 994 HA SER 137 HA SER 137 18.190 6.363 8.549 995 HB2 SER 137 1HB SER 137 19.010 4.578 6.638 996 HB3 SER 137 2HB SER 137 20.029 5.162 7.940 997 HG SER 137 HG SER 137 20.187 3.112 8.522 998 H GLY 138 H GLY 138 17.875 5.945 5.820 999 HA2 GLY 138 1HA GLY 138 15.127 4.974 5.436 1000 HA3 GLY 138 2HA GLY 138 15.504 6.639 5.041 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -0.394 18.004 18.162 2 HA2 GLY 1 1HA GLY 1 0.093 15.216 18.837 3 HA3 GLY 1 2HA GLY 1 0.126 15.604 17.129 4 H SER 2 H SER 2 2.437 14.992 17.179 5 HA SER 2 HA SER 2 4.058 17.045 18.462 6 HB2 SER 2 1HB SER 2 4.355 14.130 18.122 7 HB3 SER 2 2HB SER 2 5.792 15.008 17.636 8 HG SER 2 HG SER 2 5.256 16.201 19.857 9 H SER 3 H SER 3 6.276 17.348 17.153 10 HA SER 3 HA SER 3 5.435 17.826 14.416 11 HB2 SER 3 1HB SER 3 6.419 19.632 16.090 12 HB3 SER 3 2HB SER 3 7.966 18.943 15.640 13 HG SER 3 HG SER 3 6.098 20.403 14.053 14 H GLY 4 H GLY 4 7.449 17.746 12.794 15 HA2 GLY 4 1HA GLY 4 9.145 15.423 13.451 16 HA3 GLY 4 2HA GLY 4 8.200 15.452 11.976 17 H SER 5 H SER 5 9.820 15.595 10.420 18 HA SER 5 HA SER 5 11.083 18.148 10.247 19 HB2 SER 5 1HB SER 5 12.536 16.143 11.516 20 HB3 SER 5 2HB SER 5 13.086 16.001 9.858 21 HG SER 5 HG SER 5 14.345 17.672 10.286 22 H SER 6 H SER 6 12.494 18.161 8.085 23 HA SER 6 HA SER 6 11.375 16.256 6.206 24 HB2 SER 6 1HB SER 6 10.456 18.911 6.408 25 HB3 SER 6 2HB SER 6 11.569 18.953 5.055 26 HG SER 6 HG SER 6 10.068 18.005 3.875 27 H GLY 7 H GLY 7 12.564 16.611 3.942 28 HA2 GLY 7 1HA GLY 7 15.166 17.807 4.047 29 HA3 GLY 7 2HA GLY 7 15.231 16.064 4.213 30 H SER 8 H SER 8 16.406 17.293 1.991 31 HA SER 8 HA SER 8 15.135 15.908 -0.065 32 HB2 SER 8 1HB SER 8 13.539 17.614 -0.349 33 HB3 SER 8 2HB SER 8 14.663 18.887 0.085 34 HG SER 8 HG SER 8 14.673 17.341 -2.366 35 H TRP 9 H TRP 9 17.099 18.928 0.483 36 HA TRP 9 HA TRP 9 19.030 19.588 -0.420 37 HB2 TRP 9 1HB TRP 9 20.893 17.941 -0.128 38 HB3 TRP 9 2HB TRP 9 19.943 18.287 1.303 39 HD1 TRP 9 HD TRP 9 20.564 15.430 -1.223 40 HE1 TRP 9 1HE TRP 9 19.767 13.110 -0.250 41 HE3 TRP 9 3HE TRP 9 18.353 17.341 2.939 42 HZ2 TRP 9 2HZ TRP 9 18.333 12.352 2.099 43 HZ3 TRP 9 3HZ TRP 9 17.277 15.742 4.520 44 HH2 TRP 9 HH TRP 9 17.244 13.325 4.154 45 H ASN 10 H ASN 10 18.030 19.889 -2.573 46 HA ASN 10 HA ASN 10 18.087 19.720 -4.735 47 HB2 ASN 10 1HB ASN 10 20.586 18.588 -3.958 48 HB3 ASN 10 2HB ASN 10 19.939 17.475 -5.148 49 HD21 ASN 10 1HD2 ASN 10 20.440 20.934 -4.522 50 HD22 ASN 10 2HD2 ASN 10 20.799 21.408 -6.148 51 H GLN 11 H GLN 11 16.342 18.750 -5.778 52 HA GLN 11 HA GLN 11 14.909 17.271 -6.463 53 HB2 GLN 11 1HB GLN 11 17.441 15.850 -6.523 54 HB3 GLN 11 2HB GLN 11 16.157 14.723 -6.132 55 HG2 GLN 11 1HG GLN 11 14.917 15.282 -8.132 56 HG3 GLN 11 2HG GLN 11 15.903 16.699 -8.436 57 HE21 GLN 11 1HE2 GLN 11 15.922 15.494 -10.555 58 HE22 GLN 11 2HE2 GLN 11 17.232 14.399 -10.845 59 H ALA 12 H ALA 12 13.467 15.373 -5.761 60 HA ALA 12 HA ALA 12 13.742 14.659 -2.967 61 HB1 ALA 12 1HB ALA 12 11.138 15.410 -2.914 62 HB2 ALA 12 2HB ALA 12 12.470 16.473 -2.398 63 HB3 ALA 12 3HB ALA 12 11.781 16.638 -4.031 64 HA PRO 13 HA PRO 13 11.891 11.082 -4.542 65 HB2 PRO 13 1HB PRO 13 10.931 9.908 -2.269 66 HB3 PRO 13 2HB PRO 13 12.613 9.826 -2.752 67 HG2 PRO 13 1HG PRO 13 11.374 11.459 -0.622 68 HG3 PRO 13 2HG PRO 13 13.061 11.040 -0.842 69 HD2 PRO 13 1HD PRO 13 11.828 13.561 -1.434 70 HD3 PRO 13 2HD PRO 13 13.487 13.103 -1.761 71 H LYS 14 H LYS 14 10.196 10.853 -5.845 72 HA LYS 14 HA LYS 14 7.704 11.958 -4.763 73 HB2 LYS 14 1HB LYS 14 9.042 12.163 -7.339 74 HB3 LYS 14 2HB LYS 14 7.410 11.554 -7.521 75 HG2 LYS 14 1HG LYS 14 6.776 13.500 -5.834 76 HG3 LYS 14 2HG LYS 14 8.322 14.177 -6.307 77 HD2 LYS 14 1HD LYS 14 6.539 13.237 -8.533 78 HD3 LYS 14 2HD LYS 14 6.013 14.665 -7.664 79 HE2 LYS 14 1HE LYS 14 8.885 14.796 -8.274 80 HE3 LYS 14 2HE LYS 14 7.941 14.561 -9.731 81 HZ1 LYS 14 1HZ LYS 14 6.972 16.523 -7.841 82 HZ2 LYS 14 2HZ LYS 14 8.314 16.910 -8.689 83 HZ3 LYS 14 3HZ LYS 14 6.930 16.542 -9.474 84 H LEU 15 H LEU 15 5.766 10.737 -4.886 85 HA LEU 15 HA LEU 15 6.053 7.988 -5.806 86 HB2 LEU 15 1HB LEU 15 6.587 7.576 -3.609 87 HB3 LEU 15 2HB LEU 15 5.571 8.865 -2.994 88 HG LEU 15 HG LEU 15 3.570 7.564 -3.358 89 HD11 LEU 15 1HD1 LEU 15 4.674 6.420 -5.452 90 HD12 LEU 15 2HD1 LEU 15 5.102 5.160 -4.271 91 HD13 LEU 15 3HD1 LEU 15 3.396 5.597 -4.526 92 HD21 LEU 15 1HD2 LEU 15 4.915 7.214 -1.283 93 HD22 LEU 15 2HD2 LEU 15 3.883 5.834 -1.731 94 HD23 LEU 15 3HD2 LEU 15 5.634 5.776 -2.048 95 H HIS 16 H HIS 16 4.514 7.847 -7.348 96 HA HIS 16 HA HIS 16 2.152 9.480 -7.085 97 HB2 HIS 16 1HB HIS 16 3.509 9.148 -9.221 98 HB3 HIS 16 2HB HIS 16 2.827 7.536 -9.300 99 HD1 HIS 16 1HD HIS 16 0.725 7.357 -10.633 100 HD2 HIS 16 2HD HIS 16 1.280 11.214 -9.080 101 HE1 HIS 16 1HE HIS 16 -1.192 8.775 -11.540 102 H TYR 17 H TYR 17 0.024 8.705 -6.830 103 HA TYR 17 HA TYR 17 -0.447 5.877 -6.700 104 HB2 TYR 17 1HB TYR 17 -1.259 6.202 -4.245 105 HB3 TYR 17 2HB TYR 17 0.480 6.212 -4.458 106 HD1 TYR 17 1HD TYR 17 -2.481 8.292 -3.756 107 HD2 TYR 17 2HD TYR 17 1.781 8.239 -4.124 108 HE1 TYR 17 1HE TYR 17 -2.349 10.570 -2.635 109 HE2 TYR 17 2HE TYR 17 1.898 10.518 -3.002 110 HH TYR 17 HH TYR 17 0.649 11.889 -1.583 111 H CYS 18 H CYS 18 -2.625 5.396 -6.999 112 HA CYS 18 HA CYS 18 -4.351 7.755 -7.192 113 HB2 CYS 18 1HB CYS 18 -4.053 6.815 -9.373 114 HB3 CYS 18 2HB CYS 18 -4.334 5.185 -8.795 115 HG CYS 18 HG CYS 18 -6.470 5.664 -10.015 116 H LEU 19 H LEU 19 -5.713 7.849 -5.437 117 HA LEU 19 HA LEU 19 -6.303 5.405 -4.005 118 HB2 LEU 19 1HB LEU 19 -7.216 8.212 -3.389 119 HB3 LEU 19 2HB LEU 19 -7.193 6.830 -2.312 120 HG LEU 19 HG LEU 19 -5.357 7.992 -1.580 121 HD11 LEU 19 1HD1 LEU 19 -3.506 6.682 -1.977 122 HD12 LEU 19 2HD1 LEU 19 -4.817 5.619 -2.542 123 HD13 LEU 19 3HD1 LEU 19 -3.843 6.533 -3.718 124 HD21 LEU 19 1HD2 LEU 19 -5.597 9.647 -3.544 125 HD22 LEU 19 2HD2 LEU 19 -4.000 9.452 -2.783 126 HD23 LEU 19 3HD2 LEU 19 -4.348 8.658 -4.338 127 H ASP 20 H ASP 20 -8.222 4.303 -4.046 128 HA ASP 20 HA ASP 20 -10.530 5.608 -5.105 129 HB2 ASP 20 1HB ASP 20 -9.481 4.819 -7.184 130 HB3 ASP 20 2HB ASP 20 -9.237 3.223 -6.504 131 H TYR 21 H TYR 21 -12.031 4.968 -3.550 132 HA TYR 21 HA TYR 21 -11.659 2.373 -2.270 133 HB2 TYR 21 1HB TYR 21 -12.001 4.631 -1.056 134 HB3 TYR 21 2HB TYR 21 -13.584 4.736 -1.800 135 HD1 TYR 21 2HD TYR 21 -11.537 2.874 0.661 136 HD2 TYR 21 1HD TYR 21 -15.456 3.489 -0.943 137 HE1 TYR 21 2HE TYR 21 -12.543 1.577 2.602 138 HE2 TYR 21 1HE TYR 21 -16.448 2.190 1.004 139 HH TYR 21 HH TYR 21 -14.748 0.195 2.892 140 H ASP 22 H ASP 22 -12.797 0.628 -2.934 141 HA ASP 22 HA ASP 22 -15.094 1.136 -4.612 142 HB2 ASP 22 1HB ASP 22 -13.071 -0.596 -4.967 143 HB3 ASP 22 2HB ASP 22 -14.066 -1.629 -3.960 144 H CYS 23 H CYS 23 -16.628 1.736 -2.904 145 HA CYS 23 HA CYS 23 -17.018 0.627 -0.510 146 HB2 CYS 23 1HB CYS 23 -19.241 1.431 -0.558 147 HB3 CYS 23 2HB CYS 23 -18.330 2.506 -1.600 148 HG CYS 23 HG CYS 23 -18.934 1.349 -3.855 149 H GLN 24 H GLN 24 -17.812 -0.743 -3.722 150 HA GLN 24 HA GLN 24 -19.464 -2.776 -2.908 151 HB2 GLN 24 1HB GLN 24 -17.438 -3.031 -5.162 152 HB3 GLN 24 2HB GLN 24 -19.019 -3.779 -5.053 153 HG2 GLN 24 1HG GLN 24 -19.445 -0.962 -4.773 154 HG3 GLN 24 2HG GLN 24 -18.314 -1.158 -6.097 155 HE21 GLN 24 1HE2 GLN 24 -19.202 -1.331 -7.995 156 HE22 GLN 24 2HE2 GLN 24 -20.732 -2.042 -8.387 157 H LYS 25 H LYS 25 -15.856 -2.695 -3.233 158 HA LYS 25 HA LYS 25 -15.701 -5.358 -2.099 159 HB2 LYS 25 1HB LYS 25 -13.336 -3.633 -2.789 160 HB3 LYS 25 2HB LYS 25 -13.476 -5.380 -2.803 161 HG2 LYS 25 1HG LYS 25 -15.352 -4.898 -4.652 162 HG3 LYS 25 2HG LYS 25 -14.496 -3.379 -4.826 163 HD2 LYS 25 1HD LYS 25 -12.703 -4.365 -5.851 164 HD3 LYS 25 2HD LYS 25 -12.667 -5.700 -4.717 165 HE2 LYS 25 1HE LYS 25 -15.041 -6.105 -6.209 166 HE3 LYS 25 2HE LYS 25 -13.863 -5.577 -7.395 167 HZ1 LYS 25 1HZ LYS 25 -13.788 -7.944 -7.067 168 HZ2 LYS 25 2HZ LYS 25 -12.374 -7.279 -6.592 169 HZ3 LYS 25 3HZ LYS 25 -13.463 -7.768 -5.477 170 H ALA 26 H ALA 26 -15.730 -2.037 -1.097 171 HA ALA 26 HA ALA 26 -15.418 -1.051 0.857 172 HB1 ALA 26 1HB ALA 26 -16.492 -3.638 1.412 173 HB2 ALA 26 2HB ALA 26 -15.281 -3.283 2.667 174 HB3 ALA 26 3HB ALA 26 -16.630 -2.156 2.389 175 H GLU 27 H GLU 27 -13.112 -1.611 -0.720 176 HA GLU 27 HA GLU 27 -11.180 -1.720 1.433 177 HB2 GLU 27 1HB GLU 27 -10.957 -3.338 -1.144 178 HB3 GLU 27 2HB GLU 27 -9.664 -3.148 0.023 179 HG2 GLU 27 1HG GLU 27 -11.888 -3.951 1.575 180 HG3 GLU 27 2HG GLU 27 -12.005 -4.919 0.119 181 H LEU 28 H LEU 28 -9.432 -0.290 1.152 182 HA LEU 28 HA LEU 28 -9.814 1.659 -0.921 183 HB2 LEU 28 1HB LEU 28 -9.257 2.150 1.479 184 HB3 LEU 28 2HB LEU 28 -7.656 1.503 1.183 185 HG LEU 28 HG LEU 28 -7.856 4.008 1.113 186 HD11 LEU 28 1HD1 LEU 28 -5.933 3.833 0.027 187 HD12 LEU 28 2HD1 LEU 28 -6.410 2.237 -0.599 188 HD13 LEU 28 3HD1 LEU 28 -6.815 3.709 -1.514 189 HD21 LEU 28 1HD2 LEU 28 -9.210 3.562 -1.558 190 HD22 LEU 28 2HD2 LEU 28 -10.061 4.037 -0.068 191 HD23 LEU 28 3HD2 LEU 28 -8.830 5.113 -0.772 192 H PHE 29 H PHE 29 -8.427 2.113 -2.659 193 HA PHE 29 HA PHE 29 -6.380 0.058 -3.118 194 HB2 PHE 29 1HB PHE 29 -8.348 1.490 -5.001 195 HB3 PHE 29 2HB PHE 29 -7.039 0.484 -5.588 196 HD1 PHE 29 2HD PHE 29 -10.107 0.397 -3.500 197 HD2 PHE 29 1HD PHE 29 -7.317 -1.834 -5.790 198 HE1 PHE 29 2HE PHE 29 -11.583 -1.626 -3.327 199 HE2 PHE 29 1HE PHE 29 -8.793 -3.857 -5.617 200 HZ PHE 29 HZ PHE 29 -10.908 -3.729 -4.388 201 H VAL 30 H VAL 30 -4.417 0.740 -4.079 202 HA VAL 30 HA VAL 30 -4.180 3.637 -4.475 203 HB VAL 30 HB VAL 30 -2.238 1.837 -3.013 204 HG11 VAL 30 1HG1 VAL 30 -1.673 4.128 -4.463 205 HG12 VAL 30 2HG1 VAL 30 -1.861 4.736 -2.801 206 HG13 VAL 30 3HG1 VAL 30 -0.683 3.448 -3.150 207 HG21 VAL 30 1HG2 VAL 30 -3.255 2.366 -1.099 208 HG22 VAL 30 2HG2 VAL 30 -3.230 4.100 -1.501 209 HG23 VAL 30 3HG2 VAL 30 -4.576 3.076 -2.058 210 H THR 31 H THR 31 -4.610 2.855 -6.751 211 HA THR 31 HA THR 31 -2.514 1.275 -7.950 212 HB THR 31 HB THR 31 -3.935 1.700 -10.007 213 HG1 THR 31 1HG THR 31 -5.207 3.493 -9.771 214 HG21 THR 31 1HG2 THR 31 -5.270 0.788 -7.422 215 HG22 THR 31 2HG2 THR 31 -6.176 0.841 -8.953 216 HG23 THR 31 3HG2 THR 31 -4.745 -0.208 -8.801 217 H ARG 32 H ARG 32 -2.253 2.570 -10.451 218 HA ARG 32 HA ARG 32 -0.755 3.853 -11.371 219 HB2 ARG 32 1HB ARG 32 -2.059 6.023 -9.649 220 HB3 ARG 32 2HB ARG 32 -1.161 6.304 -11.127 221 HG2 ARG 32 1HG ARG 32 -3.579 4.460 -11.099 222 HG3 ARG 32 2HG ARG 32 -3.773 6.194 -11.262 223 HD2 ARG 32 1HD ARG 32 -2.176 6.126 -13.244 224 HD3 ARG 32 2HD ARG 32 -2.157 4.378 -13.117 225 HE ARG 32 HE ARG 32 -4.879 5.363 -13.227 226 HH11 ARG 32 2HH2 ARG 32 -2.063 4.716 -15.234 227 HH12 ARG 32 1HH2 ARG 32 -2.989 4.477 -16.679 228 HH21 ARG 32 2HH1 ARG 32 -6.101 5.048 -15.132 229 HH22 ARG 32 1HH1 ARG 32 -5.301 4.667 -16.620 230 H LEU 33 H LEU 33 0.770 2.567 -9.717 231 HA LEU 33 HA LEU 33 1.976 4.371 -7.784 232 HB2 LEU 33 1HB LEU 33 2.254 1.428 -8.367 233 HB3 LEU 33 2HB LEU 33 3.336 2.275 -7.279 234 HG LEU 33 HG LEU 33 0.333 2.242 -6.908 235 HD11 LEU 33 1HD1 LEU 33 0.992 0.555 -5.032 236 HD12 LEU 33 2HD1 LEU 33 0.775 -0.015 -6.704 237 HD13 LEU 33 3HD1 LEU 33 2.413 0.250 -6.060 238 HD21 LEU 33 1HD2 LEU 33 0.894 2.859 -4.587 239 HD22 LEU 33 2HD2 LEU 33 2.614 2.938 -5.038 240 HD23 LEU 33 3HD2 LEU 33 1.449 4.067 -5.770 241 H GLU 34 H GLU 34 3.777 5.543 -8.193 242 HA GLU 34 HA GLU 34 5.682 4.538 -10.062 243 HB2 GLU 34 1HB GLU 34 4.268 7.178 -10.647 244 HB3 GLU 34 2HB GLU 34 5.642 6.545 -11.531 245 HG2 GLU 34 1HG GLU 34 4.265 4.491 -12.100 246 HG3 GLU 34 2HG GLU 34 2.888 5.242 -11.319 247 H ALA 35 H ALA 35 7.377 4.662 -8.619 248 HA ALA 35 HA ALA 35 7.588 6.970 -6.892 249 HB1 ALA 35 1HB ALA 35 9.685 5.642 -6.161 250 HB2 ALA 35 2HB ALA 35 8.093 4.913 -5.838 251 HB3 ALA 35 3HB ALA 35 9.069 4.346 -7.214 252 H VAL 36 H VAL 36 8.800 8.756 -7.312 253 HA VAL 36 HA VAL 36 10.640 8.560 -9.596 254 HB VAL 36 HB VAL 36 8.763 10.691 -8.638 255 HG11 VAL 36 1HG1 VAL 36 10.357 12.257 -8.868 256 HG12 VAL 36 2HG1 VAL 36 11.482 11.127 -9.660 257 HG13 VAL 36 3HG1 VAL 36 10.224 11.948 -10.616 258 HG21 VAL 36 1HG2 VAL 36 8.674 8.864 -10.699 259 HG22 VAL 36 2HG2 VAL 36 7.730 10.370 -10.608 260 HG23 VAL 36 3HG2 VAL 36 9.262 10.334 -11.513 261 H THR 37 H THR 37 12.291 7.728 -8.099 262 HA THR 37 HA THR 37 13.313 9.837 -6.314 263 HB THR 37 HB THR 37 14.321 7.932 -5.054 264 HG1 THR 37 1HG THR 37 14.363 5.996 -6.139 265 HG21 THR 37 1HG2 THR 37 11.932 6.530 -4.961 266 HG22 THR 37 2HG2 THR 37 12.259 8.004 -4.018 267 HG23 THR 37 3HG2 THR 37 11.389 8.113 -5.568 268 H SER 38 H SER 38 15.887 9.089 -5.941 269 HA SER 38 HA SER 38 17.052 8.600 -8.510 270 HB2 SER 38 1HB SER 38 18.417 10.696 -8.469 271 HB3 SER 38 2HB SER 38 16.705 11.006 -8.677 272 HG SER 38 HG SER 38 16.599 11.990 -6.754 273 H ASN 39 H ASN 39 19.558 8.545 -8.278 274 HA ASN 39 HA ASN 39 21.339 7.798 -7.296 275 HB2 ASN 39 1HB ASN 39 20.023 9.306 -5.066 276 HB3 ASN 39 2HB ASN 39 21.229 8.143 -4.554 277 HD21 ASN 39 1HD2 ASN 39 22.129 10.301 -3.851 278 HD22 ASN 39 2HD2 ASN 39 23.224 11.102 -4.928 279 H HIS 40 H HIS 40 22.140 5.914 -5.958 280 HA HIS 40 HA HIS 40 19.915 4.211 -5.096 281 HB2 HIS 40 1HB HIS 40 21.283 2.282 -5.827 282 HB3 HIS 40 2HB HIS 40 20.788 3.329 -7.141 283 HD1 HIS 40 1HD HIS 40 22.842 2.230 -8.477 284 HD2 HIS 40 2HD HIS 40 23.873 4.662 -5.219 285 HE1 HIS 40 1HE HIS 40 25.320 2.773 -8.746 286 H ASP 41 H ASP 41 21.353 2.172 -3.862 287 HA ASP 41 HA ASP 41 23.105 3.518 -1.999 288 HB2 ASP 41 1HB ASP 41 20.468 2.189 -1.359 289 HB3 ASP 41 2HB ASP 41 21.773 2.036 -0.200 290 H GLY 42 H GLY 42 21.395 0.472 -3.002 291 HA2 GLY 42 1HA GLY 42 23.917 -0.957 -3.079 292 HA3 GLY 42 2HA GLY 42 22.795 -1.501 -1.848 293 H GLY 43 H GLY 43 22.867 -3.562 -3.162 294 HA2 GLY 43 1HA GLY 43 21.274 -3.410 -5.632 295 HA3 GLY 43 2HA GLY 43 22.305 -4.735 -5.126 296 H CYS 44 H CYS 44 19.224 -3.012 -4.434 297 HA CYS 44 HA CYS 44 18.149 -5.553 -3.527 298 HB2 CYS 44 1HB CYS 44 17.885 -2.993 -1.914 299 HB3 CYS 44 2HB CYS 44 17.026 -4.487 -1.595 300 HG CYS 44 HG CYS 44 19.981 -3.524 -0.920 301 H ASP 45 H ASP 45 15.781 -5.628 -3.804 302 HA ASP 45 HA ASP 45 14.985 -3.980 -5.978 303 HB2 ASP 45 1HB ASP 45 13.901 -6.356 -4.494 304 HB3 ASP 45 2HB ASP 45 12.724 -5.359 -5.325 305 H CYS 46 H CYS 46 13.181 -2.456 -5.927 306 HA CYS 46 HA CYS 46 12.494 -1.611 -3.210 307 HB2 CYS 46 1HB CYS 46 12.228 0.620 -4.030 308 HB3 CYS 46 2HB CYS 46 13.774 0.029 -4.606 309 HG CYS 46 HG CYS 46 13.000 1.225 -6.638 310 H TYR 47 H TYR 47 10.232 -1.049 -2.806 311 HA TYR 47 HA TYR 47 8.316 -1.579 -4.897 312 HB2 TYR 47 1HB TYR 47 7.229 -3.349 -3.396 313 HB3 TYR 47 2HB TYR 47 8.796 -3.848 -4.002 314 HD1 TYR 47 1HD TYR 47 7.025 -2.519 -1.020 315 HD2 TYR 47 2HD TYR 47 10.611 -4.306 -2.519 316 HE1 TYR 47 1HE TYR 47 7.821 -2.932 1.359 317 HE2 TYR 47 2HE TYR 47 11.396 -4.713 -0.135 318 HH TYR 47 HH TYR 47 10.704 -4.822 1.991 319 H VAL 48 H VAL 48 6.113 -0.960 -4.261 320 HA VAL 48 HA VAL 48 6.218 1.122 -2.238 321 HB VAL 48 HB VAL 48 3.995 0.412 -4.156 322 HG11 VAL 48 1HG1 VAL 48 4.353 2.428 -2.088 323 HG12 VAL 48 2HG1 VAL 48 4.055 3.170 -3.679 324 HG13 VAL 48 3HG1 VAL 48 2.897 1.992 -3.016 325 HG21 VAL 48 1HG2 VAL 48 5.135 1.269 -5.871 326 HG22 VAL 48 2HG2 VAL 48 5.531 2.734 -4.941 327 HG23 VAL 48 3HG2 VAL 48 6.582 1.301 -4.834 328 H GLN 49 H GLN 49 4.903 1.172 -0.386 329 HA GLN 49 HA GLN 49 3.317 -1.226 0.047 330 HB2 GLN 49 1HB GLN 49 5.482 -1.574 1.183 331 HB3 GLN 49 2HB GLN 49 5.324 -0.040 2.015 332 HG2 GLN 49 1HG GLN 49 2.901 -1.482 2.518 333 HG3 GLN 49 2HG GLN 49 4.209 -2.626 2.740 334 HE21 GLN 49 1HE2 GLN 49 3.040 -2.285 4.936 335 HE22 GLN 49 2HE2 GLN 49 3.797 -1.176 6.031 336 H GLY 50 H GLY 50 1.358 -0.869 1.125 337 HA2 GLY 50 1HA GLY 50 0.855 1.934 1.935 338 HA3 GLY 50 2HA GLY 50 -0.316 0.915 1.123 339 H SER 51 H SER 51 -0.330 2.279 3.852 340 HA SER 51 HA SER 51 -1.039 -0.130 5.314 341 HB2 SER 51 1HB SER 51 -0.179 1.112 7.418 342 HB3 SER 51 2HB SER 51 1.017 0.390 6.360 343 HG SER 51 HG SER 51 1.830 2.410 6.615 344 H VAL 52 H VAL 52 -2.989 0.050 6.465 345 HA VAL 52 HA VAL 52 -4.187 2.731 6.516 346 HB VAL 52 HB VAL 52 -5.102 0.255 5.244 347 HG11 VAL 52 1HG1 VAL 52 -6.494 0.197 7.298 348 HG12 VAL 52 2HG1 VAL 52 -7.089 1.831 6.917 349 HG13 VAL 52 3HG1 VAL 52 -7.453 0.473 5.825 350 HG21 VAL 52 1HG2 VAL 52 -6.227 3.055 5.003 351 HG22 VAL 52 2HG2 VAL 52 -4.720 2.551 4.201 352 HG23 VAL 52 3HG2 VAL 52 -6.254 1.741 3.803 353 H ALA 53 H ALA 53 -5.472 3.210 8.357 354 HA ALA 53 HA ALA 53 -5.403 1.156 10.452 355 HB1 ALA 53 1HB ALA 53 -5.011 3.183 12.020 356 HB2 ALA 53 2HB ALA 53 -3.625 2.580 11.079 357 HB3 ALA 53 3HB ALA 53 -4.491 4.043 10.551 358 H ASN 54 H ASN 54 -7.474 0.645 10.935 359 HA ASN 54 HA ASN 54 -9.422 2.789 10.633 360 HB2 ASN 54 1HB ASN 54 -10.923 0.480 10.883 361 HB3 ASN 54 2HB ASN 54 -10.430 1.163 9.346 362 HD21 ASN 54 1HD2 ASN 54 -10.188 -0.664 8.206 363 HD22 ASN 54 2HD2 ASN 54 -9.014 -1.897 8.523 364 H ARG 55 H ARG 55 -11.503 2.036 12.203 365 HA ARG 55 HA ARG 55 -10.458 2.331 14.794 366 HB2 ARG 55 1HB ARG 55 -13.253 1.951 13.650 367 HB3 ARG 55 2HB ARG 55 -13.003 1.984 15.384 368 HG2 ARG 55 1HG ARG 55 -12.191 4.232 15.352 369 HG3 ARG 55 2HG ARG 55 -11.868 4.189 13.630 370 HD2 ARG 55 1HD ARG 55 -14.144 4.439 13.051 371 HD3 ARG 55 2HD ARG 55 -14.714 3.781 14.572 372 HE ARG 55 HE ARG 55 -13.224 6.227 15.010 373 HH11 ARG 55 2HH2 ARG 55 -16.349 5.014 13.941 374 HH12 ARG 55 1HH2 ARG 55 -17.204 6.452 14.388 375 HH21 ARG 55 2HH1 ARG 55 -14.351 8.126 15.600 376 HH22 ARG 55 1HH1 ARG 55 -16.060 8.234 15.337 377 H THR 56 H THR 56 -10.948 -0.374 12.765 378 HA THR 56 HA THR 56 -11.525 -2.198 14.974 379 HB THR 56 HB THR 56 -11.932 -3.805 13.160 380 HG1 THR 56 1HG THR 56 -11.149 -1.649 11.363 381 HG21 THR 56 1HG2 THR 56 -13.172 -1.127 13.096 382 HG22 THR 56 2HG2 THR 56 -13.147 -1.891 11.489 383 HG23 THR 56 3HG2 THR 56 -13.929 -2.719 12.856 384 H GLY 57 H GLY 57 -8.890 -1.066 12.905 385 HA2 GLY 57 1HA GLY 57 -6.867 -1.932 14.546 386 HA3 GLY 57 2HA GLY 57 -7.148 -3.267 13.445 387 H SER 58 H SER 58 -5.795 -3.249 11.711 388 HA SER 58 HA SER 58 -5.619 -0.922 10.122 389 HB2 SER 58 1HB SER 58 -2.964 -1.039 10.313 390 HB3 SER 58 2HB SER 58 -3.903 -0.038 11.402 391 HG SER 58 HG SER 58 -2.533 -2.477 11.907 392 H VAL 59 H VAL 59 -4.067 -1.379 8.176 393 HA VAL 59 HA VAL 59 -3.700 -4.249 7.777 394 HB VAL 59 HB VAL 59 -4.642 -3.904 5.446 395 HG11 VAL 59 1HG1 VAL 59 -5.995 -4.351 7.983 396 HG12 VAL 59 2HG1 VAL 59 -7.101 -3.677 6.762 397 HG13 VAL 59 3HG1 VAL 59 -6.203 -5.175 6.419 398 HG21 VAL 59 1HG2 VAL 59 -5.295 -1.277 6.682 399 HG22 VAL 59 2HG2 VAL 59 -4.968 -1.701 4.984 400 HG23 VAL 59 3HG2 VAL 59 -6.566 -2.035 5.693 401 H GLU 60 H GLU 60 -2.542 -4.459 5.434 402 HA GLU 60 HA GLU 60 -0.890 -2.237 4.825 403 HB2 GLU 60 1HB GLU 60 0.346 -4.672 6.181 404 HB3 GLU 60 2HB GLU 60 1.277 -3.472 5.306 405 HG2 GLU 60 1HG GLU 60 0.197 -1.702 6.851 406 HG3 GLU 60 2HG GLU 60 -0.398 -3.039 7.816 407 H ALA 61 H ALA 61 -0.144 -2.393 2.700 408 HA ALA 61 HA ALA 61 -0.151 -5.029 1.461 409 HB1 ALA 61 1HB ALA 61 -1.939 -2.701 0.732 410 HB2 ALA 61 2HB ALA 61 -1.421 -3.873 -0.503 411 HB3 ALA 61 3HB ALA 61 -2.354 -4.423 0.910 412 H GLN 62 H GLN 62 0.809 -4.829 -0.846 413 HA GLN 62 HA GLN 62 2.319 -2.499 -1.357 414 HB2 GLN 62 1HB GLN 62 4.560 -3.840 -1.288 415 HB3 GLN 62 2HB GLN 62 3.926 -3.187 0.210 416 HG2 GLN 62 1HG GLN 62 2.709 -5.758 -0.131 417 HG3 GLN 62 2HG GLN 62 4.409 -5.963 -0.501 418 HE21 GLN 62 1HE2 GLN 62 5.991 -5.364 1.034 419 HE22 GLN 62 2HE2 GLN 62 5.644 -5.310 2.730 420 H THR 63 H THR 63 3.952 -3.046 -3.302 421 HA THR 63 HA THR 63 2.465 -4.864 -5.076 422 HB THR 63 HB THR 63 3.461 -3.369 -6.874 423 HG1 THR 63 1HG THR 63 5.278 -2.657 -5.537 424 HG21 THR 63 1HG2 THR 63 1.238 -2.817 -5.422 425 HG22 THR 63 2HG2 THR 63 2.249 -1.454 -4.885 426 HG23 THR 63 3HG2 THR 63 1.882 -1.663 -6.614 427 H ALA 64 H ALA 64 4.026 -5.593 -6.999 428 HA ALA 64 HA ALA 64 5.749 -7.447 -5.865 429 HB1 ALA 64 1HB ALA 64 6.255 -6.544 -8.662 430 HB2 ALA 64 2HB ALA 64 5.970 -8.180 -8.021 431 HB3 ALA 64 3HB ALA 64 4.598 -7.078 -8.290 432 H LEU 65 H LEU 65 8.179 -7.609 -6.460 433 HA LEU 65 HA LEU 65 9.389 -5.137 -5.550 434 HB2 LEU 65 1HB LEU 65 10.146 -8.014 -5.641 435 HB3 LEU 65 2HB LEU 65 11.440 -6.833 -5.684 436 HG LEU 65 HG LEU 65 9.778 -5.973 -3.596 437 HD11 LEU 65 1HD1 LEU 65 9.157 -7.755 -2.283 438 HD12 LEU 65 2HD1 LEU 65 8.832 -8.399 -3.911 439 HD13 LEU 65 3HD1 LEU 65 10.316 -8.870 -3.047 440 HD21 LEU 65 1HD2 LEU 65 12.425 -7.419 -3.699 441 HD22 LEU 65 2HD2 LEU 65 12.106 -5.684 -3.460 442 HD23 LEU 65 3HD2 LEU 65 11.707 -6.848 -2.173 443 H LYS 66 H LYS 66 10.422 -3.713 -6.853 444 HA LYS 66 HA LYS 66 11.034 -4.656 -9.568 445 HB2 LYS 66 1HB LYS 66 10.025 -1.961 -8.624 446 HB3 LYS 66 2HB LYS 66 10.682 -2.240 -10.224 447 HG2 LYS 66 1HG LYS 66 8.741 -4.319 -9.621 448 HG3 LYS 66 2HG LYS 66 8.018 -2.754 -9.308 449 HD2 LYS 66 1HD LYS 66 8.791 -1.995 -11.602 450 HD3 LYS 66 2HD LYS 66 9.373 -3.620 -11.906 451 HE2 LYS 66 1HE LYS 66 6.561 -3.505 -10.933 452 HE3 LYS 66 2HE LYS 66 6.813 -2.720 -12.480 453 HZ1 LYS 66 1HZ LYS 66 6.677 -5.426 -11.965 454 HZ2 LYS 66 2HZ LYS 66 6.937 -4.696 -13.403 455 HZ3 LYS 66 3HZ LYS 66 8.203 -5.129 -12.467 456 H LYS 67 H LYS 67 12.735 -2.927 -10.571 457 HA LYS 67 HA LYS 67 14.927 -2.935 -8.629 458 HB2 LYS 67 1HB LYS 67 15.665 -4.217 -10.388 459 HB3 LYS 67 2HB LYS 67 14.745 -3.329 -11.585 460 HG2 LYS 67 1HG LYS 67 16.407 -1.779 -11.910 461 HG3 LYS 67 2HG LYS 67 16.784 -1.674 -10.202 462 HD2 LYS 67 1HD LYS 67 18.710 -2.639 -11.328 463 HD3 LYS 67 2HD LYS 67 17.970 -3.899 -10.361 464 HE2 LYS 67 1HE LYS 67 16.619 -4.439 -12.583 465 HE3 LYS 67 2HE LYS 67 17.902 -3.543 -13.370 466 HZ1 LYS 67 1HZ LYS 67 19.022 -5.427 -13.274 467 HZ2 LYS 67 2HZ LYS 67 19.196 -5.197 -11.667 468 HZ3 LYS 67 3HZ LYS 67 17.980 -6.129 -12.231 469 H ARG 68 H ARG 68 15.822 -1.050 -7.923 470 HA ARG 68 HA ARG 68 14.555 1.261 -8.011 471 HB2 ARG 68 1HB ARG 68 16.943 0.431 -6.980 472 HB3 ARG 68 2HB ARG 68 17.547 1.489 -8.240 473 HG2 ARG 68 1HG ARG 68 17.315 2.982 -6.441 474 HG3 ARG 68 2HG ARG 68 15.808 3.230 -7.302 475 HD2 ARG 68 1HD ARG 68 14.973 2.921 -5.149 476 HD3 ARG 68 2HD ARG 68 14.934 1.262 -5.712 477 HE ARG 68 HE ARG 68 16.538 0.752 -4.103 478 HH11 ARG 68 2HH2 ARG 68 16.806 4.170 -4.892 479 HH12 ARG 68 1HH2 ARG 68 18.044 4.475 -3.720 480 HH21 ARG 68 2HH1 ARG 68 18.172 1.152 -2.556 481 HH22 ARG 68 1HH1 ARG 68 18.826 2.747 -2.382 482 H GLN 69 H GLN 69 14.086 2.853 -9.516 483 HA GLN 69 HA GLN 69 15.890 3.182 -11.736 484 HB2 GLN 69 1HB GLN 69 12.994 2.317 -12.024 485 HB3 GLN 69 2HB GLN 69 13.800 3.205 -13.301 486 HG2 GLN 69 1HG GLN 69 14.976 0.665 -12.092 487 HG3 GLN 69 2HG GLN 69 13.880 0.630 -13.459 488 HE21 GLN 69 1HE2 GLN 69 16.416 -0.370 -13.635 489 HE22 GLN 69 2HE2 GLN 69 17.393 0.597 -14.689 490 H LEU 70 H LEU 70 15.284 5.204 -13.044 491 HA LEU 70 HA LEU 70 14.862 7.325 -11.270 492 HB2 LEU 70 1HB LEU 70 15.742 6.936 -13.908 493 HB3 LEU 70 2HB LEU 70 14.369 8.018 -14.030 494 HG LEU 70 HG LEU 70 16.537 9.192 -13.857 495 HD11 LEU 70 1HD1 LEU 70 14.141 9.752 -12.495 496 HD12 LEU 70 2HD1 LEU 70 15.455 10.161 -11.365 497 HD13 LEU 70 3HD1 LEU 70 15.414 10.896 -12.986 498 HD21 LEU 70 1HD2 LEU 70 18.073 8.310 -12.502 499 HD22 LEU 70 2HD2 LEU 70 17.209 9.131 -11.179 500 HD23 LEU 70 3HD2 LEU 70 16.855 7.426 -11.550 501 H HIS 71 H HIS 71 12.670 5.136 -12.787 502 HA HIS 71 HA HIS 71 10.473 6.527 -11.642 503 HB2 HIS 71 1HB HIS 71 11.012 7.590 -13.996 504 HB3 HIS 71 2HB HIS 71 10.206 6.159 -14.608 505 HD1 HIS 71 1HD HIS 71 8.794 8.682 -15.262 506 HD2 HIS 71 2HD HIS 71 8.181 6.715 -11.608 507 HE1 HIS 71 1HE HIS 71 6.534 9.483 -14.389 508 H THR 72 H THR 72 10.396 4.518 -10.475 509 HA THR 72 HA THR 72 10.023 2.086 -11.992 510 HB THR 72 HB THR 72 9.948 2.732 -8.997 511 HG1 THR 72 1HG THR 72 12.079 2.948 -9.660 512 HG21 THR 72 1HG2 THR 72 10.433 0.293 -8.744 513 HG22 THR 72 2HG2 THR 72 8.847 0.543 -9.513 514 HG23 THR 72 3HG2 THR 72 10.253 0.079 -10.502 515 H THR 73 H THR 73 8.158 1.476 -12.872 516 HA THR 73 HA THR 73 5.701 2.423 -11.547 517 HB THR 73 HB THR 73 4.739 2.314 -13.897 518 HG1 THR 73 1HG THR 73 6.141 1.010 -15.060 519 HG21 THR 73 1HG2 THR 73 7.199 3.962 -14.309 520 HG22 THR 73 2HG2 THR 73 5.488 4.433 -14.446 521 HG23 THR 73 3HG2 THR 73 6.266 4.361 -12.846 522 H TRP 74 H TRP 74 3.943 0.989 -11.348 523 HA TRP 74 HA TRP 74 4.756 -1.820 -11.655 524 HB2 TRP 74 1HB TRP 74 2.997 -0.485 -9.597 525 HB3 TRP 74 2HB TRP 74 3.065 -2.221 -9.826 526 HD1 TRP 74 HD TRP 74 5.064 -3.483 -8.628 527 HE1 TRP 74 1HE TRP 74 7.147 -2.838 -7.142 528 HE3 TRP 74 3HE TRP 74 4.736 1.530 -9.416 529 HZ2 TRP 74 2HZ TRP 74 8.395 -0.359 -6.478 530 HZ3 TRP 74 3HZ TRP 74 6.426 2.992 -8.312 531 HH2 TRP 74 HH TRP 74 8.210 2.123 -6.885 532 H GLU 75 H GLU 75 2.380 -3.123 -11.534 533 HA GLU 75 HA GLU 75 0.884 -1.890 -13.714 534 HB2 GLU 75 1HB GLU 75 2.215 -4.236 -13.872 535 HB3 GLU 75 2HB GLU 75 0.714 -4.845 -13.204 536 HG2 GLU 75 1HG GLU 75 -0.493 -3.512 -15.069 537 HG3 GLU 75 2HG GLU 75 1.086 -3.287 -15.796 538 H GLU 76 H GLU 76 0.699 -3.831 -10.680 539 HA GLU 76 HA GLU 76 -2.161 -3.354 -10.647 540 HB2 GLU 76 1HB GLU 76 -2.247 -5.062 -8.891 541 HB3 GLU 76 2HB GLU 76 -1.352 -5.677 -10.267 542 HG2 GLU 76 1HG GLU 76 0.798 -4.962 -9.087 543 HG3 GLU 76 2HG GLU 76 -0.169 -4.566 -7.680 544 H GLY 77 H GLY 77 -3.072 -2.886 -8.311 545 HA2 GLY 77 1HA GLY 77 -1.343 -0.825 -7.075 546 HA3 GLY 77 2HA GLY 77 -3.076 -0.668 -7.278 547 H LEU 78 H LEU 78 -2.058 -0.356 -4.735 548 HA LEU 78 HA LEU 78 -2.009 -2.828 -3.322 549 HB2 LEU 78 1HB LEU 78 -2.307 -0.009 -2.281 550 HB3 LEU 78 2HB LEU 78 -1.881 -1.428 -1.346 551 HG LEU 78 HG LEU 78 -0.223 -0.030 -3.451 552 HD11 LEU 78 1HD1 LEU 78 0.760 -0.696 -0.714 553 HD12 LEU 78 2HD1 LEU 78 1.129 0.693 -1.764 554 HD13 LEU 78 3HD1 LEU 78 -0.419 0.627 -0.888 555 HD21 LEU 78 1HD2 LEU 78 1.502 -1.768 -3.065 556 HD22 LEU 78 2HD2 LEU 78 0.310 -2.706 -2.133 557 HD23 LEU 78 3HD2 LEU 78 0.039 -2.392 -3.864 558 H VAL 79 H VAL 79 -3.577 -3.109 -1.363 559 HA VAL 79 HA VAL 79 -6.233 -2.114 -1.868 560 HB VAL 79 HB VAL 79 -5.642 -5.075 -2.036 561 HG11 VAL 79 1HG1 VAL 79 -8.152 -4.891 -2.909 562 HG12 VAL 79 2HG1 VAL 79 -7.768 -5.057 -1.179 563 HG13 VAL 79 3HG1 VAL 79 -8.150 -3.455 -1.857 564 HG21 VAL 79 1HG2 VAL 79 -6.382 -3.077 -4.197 565 HG22 VAL 79 2HG2 VAL 79 -4.891 -4.042 -4.075 566 HG23 VAL 79 3HG2 VAL 79 -6.446 -4.845 -4.400 567 H LEU 80 H LEU 80 -6.750 -1.401 0.134 568 HA LEU 80 HA LEU 80 -6.004 -3.151 2.374 569 HB2 LEU 80 1HB LEU 80 -6.008 -0.157 2.112 570 HB3 LEU 80 2HB LEU 80 -6.141 -0.931 3.678 571 HG LEU 80 HG LEU 80 -3.896 -0.674 3.646 572 HD11 LEU 80 1HD1 LEU 80 -2.752 -2.686 3.148 573 HD12 LEU 80 2HD1 LEU 80 -4.414 -3.149 3.586 574 HD13 LEU 80 3HD1 LEU 80 -3.918 -3.125 1.876 575 HD21 LEU 80 1HD2 LEU 80 -4.290 0.213 1.094 576 HD22 LEU 80 2HD2 LEU 80 -2.711 0.101 1.908 577 HD23 LEU 80 3HD2 LEU 80 -3.247 -1.205 0.824 578 HA PRO 81 HA PRO 81 -10.296 -3.387 2.947 579 HB2 PRO 81 1HB PRO 81 -10.314 -4.825 5.271 580 HB3 PRO 81 2HB PRO 81 -10.144 -5.561 3.690 581 HG2 PRO 81 1HG PRO 81 -8.079 -5.109 5.756 582 HG3 PRO 81 2HG PRO 81 -8.037 -6.197 4.383 583 HD2 PRO 81 1HD PRO 81 -6.697 -3.671 4.614 584 HD3 PRO 81 2HD PRO 81 -6.751 -4.704 3.199 585 H LEU 82 H LEU 82 -11.651 -1.795 3.449 586 HA LEU 82 HA LEU 82 -11.496 -0.807 6.157 587 HB2 LEU 82 1HB LEU 82 -9.849 0.588 5.138 588 HB3 LEU 82 2HB LEU 82 -10.885 0.923 3.764 589 HG LEU 82 HG LEU 82 -12.487 2.037 5.422 590 HD11 LEU 82 1HD1 LEU 82 -10.035 1.879 7.196 591 HD12 LEU 82 2HD1 LEU 82 -11.481 2.870 7.509 592 HD13 LEU 82 3HD1 LEU 82 -11.607 1.094 7.480 593 HD21 LEU 82 1HD2 LEU 82 -11.660 3.929 4.605 594 HD22 LEU 82 2HD2 LEU 82 -10.181 3.777 5.583 595 HD23 LEU 82 3HD2 LEU 82 -10.279 2.991 3.988 596 H ALA 83 H ALA 83 -13.476 0.065 6.866 597 HA ALA 83 HA ALA 83 -15.683 -0.548 5.076 598 HB1 ALA 83 1HB ALA 83 -15.165 -0.755 7.875 599 HB2 ALA 83 2HB ALA 83 -16.492 0.413 7.667 600 HB3 ALA 83 3HB ALA 83 -16.637 -1.227 6.992 601 H GLU 84 H GLU 84 -17.166 0.977 4.316 602 HA GLU 84 HA GLU 84 -16.230 3.489 3.826 603 HB2 GLU 84 1HB GLU 84 -18.190 2.161 2.750 604 HB3 GLU 84 2HB GLU 84 -19.193 2.839 4.017 605 HG2 GLU 84 1HG GLU 84 -17.960 5.122 3.182 606 HG3 GLU 84 2HG GLU 84 -17.883 4.209 1.689 607 H GLU 85 H GLU 85 -17.600 2.191 6.749 608 HA GLU 85 HA GLU 85 -18.467 4.750 7.698 609 HB2 GLU 85 1HB GLU 85 -19.003 3.480 9.793 610 HB3 GLU 85 2HB GLU 85 -19.754 2.797 8.364 611 HG2 GLU 85 1HG GLU 85 -18.377 0.909 8.360 612 HG3 GLU 85 2HG GLU 85 -17.033 1.749 9.108 613 H GLU 86 H GLU 86 -15.523 2.974 7.486 614 HA GLU 86 HA GLU 86 -14.434 4.467 9.738 615 HB2 GLU 86 1HB GLU 86 -13.109 2.133 8.306 616 HB3 GLU 86 2HB GLU 86 -12.675 2.815 9.860 617 HG2 GLU 86 1HG GLU 86 -15.191 2.188 10.499 618 HG3 GLU 86 2HG GLU 86 -15.049 1.080 9.148 619 H LEU 87 H LEU 87 -15.000 5.099 6.665 620 HA LEU 87 HA LEU 87 -12.468 5.498 5.512 621 HB2 LEU 87 1HB LEU 87 -15.266 6.360 4.968 622 HB3 LEU 87 2HB LEU 87 -13.971 7.242 4.183 623 HG LEU 87 HG LEU 87 -14.305 4.237 4.007 624 HD11 LEU 87 1HD1 LEU 87 -14.925 5.971 1.673 625 HD12 LEU 87 2HD1 LEU 87 -15.624 4.413 2.172 626 HD13 LEU 87 3HD1 LEU 87 -16.123 5.914 2.987 627 HD21 LEU 87 1HD2 LEU 87 -12.809 5.810 1.974 628 HD22 LEU 87 2HD2 LEU 87 -12.043 5.592 3.566 629 HD23 LEU 87 3HD2 LEU 87 -12.522 4.171 2.606 630 HA PRO 88 HA PRO 88 -12.916 9.849 7.302 631 HB2 PRO 88 1HB PRO 88 -14.875 10.388 9.129 632 HB3 PRO 88 2HB PRO 88 -15.041 10.727 7.418 633 HG2 PRO 88 1HG PRO 88 -16.262 8.551 9.003 634 HG3 PRO 88 2HG PRO 88 -16.732 9.159 7.428 635 HD2 PRO 88 1HD PRO 88 -15.298 6.736 7.974 636 HD3 PRO 88 2HD PRO 88 -15.666 7.403 6.396 637 H THR 89 H THR 89 -13.067 7.000 9.034 638 HA THR 89 HA THR 89 -11.479 8.256 11.177 639 HB THR 89 HB THR 89 -12.560 6.823 12.732 640 HG1 THR 89 1HG THR 89 -12.286 4.839 11.588 641 HG21 THR 89 1HG2 THR 89 -14.256 8.301 11.082 642 HG22 THR 89 2HG2 THR 89 -14.926 6.657 10.944 643 HG23 THR 89 3HG2 THR 89 -14.773 7.425 12.543 644 H ALA 90 H ALA 90 -10.509 7.364 8.551 645 HA ALA 90 HA ALA 90 -8.593 5.425 9.584 646 HB1 ALA 90 1HB ALA 90 -10.196 4.010 8.470 647 HB2 ALA 90 2HB ALA 90 -10.268 5.101 7.066 648 HB3 ALA 90 3HB ALA 90 -8.788 4.168 7.393 649 H THR 91 H THR 91 -6.648 5.289 8.057 650 HA THR 91 HA THR 91 -6.350 7.553 6.280 651 HB THR 91 HB THR 91 -4.350 7.299 8.547 652 HG1 THR 91 1HG THR 91 -5.800 8.617 9.782 653 HG21 THR 91 1HG2 THR 91 -5.336 9.447 6.635 654 HG22 THR 91 2HG2 THR 91 -4.601 9.912 8.188 655 HG23 THR 91 3HG2 THR 91 -3.661 8.972 7.004 656 H LEU 92 H LEU 92 -4.878 7.193 4.665 657 HA LEU 92 HA LEU 92 -3.634 4.543 4.768 658 HB2 LEU 92 1HB LEU 92 -5.178 4.738 2.980 659 HB3 LEU 92 2HB LEU 92 -4.546 6.300 2.498 660 HG LEU 92 HG LEU 92 -3.958 4.261 1.065 661 HD11 LEU 92 1HD1 LEU 92 -2.415 5.598 0.191 662 HD12 LEU 92 2HD1 LEU 92 -2.596 6.643 1.621 663 HD13 LEU 92 3HD1 LEU 92 -1.342 5.380 1.594 664 HD21 LEU 92 1HD2 LEU 92 -2.162 3.741 3.444 665 HD22 LEU 92 2HD2 LEU 92 -3.364 2.652 2.712 666 HD23 LEU 92 3HD2 LEU 92 -1.878 3.062 1.823 667 H THR 93 H THR 93 -1.500 4.455 5.187 668 HA THR 93 HA THR 93 0.075 6.867 4.566 669 HB THR 93 HB THR 93 0.131 4.818 6.814 670 HG1 THR 93 1HG THR 93 -0.941 6.769 7.288 671 HG21 THR 93 1HG2 THR 93 2.364 6.714 5.923 672 HG22 THR 93 2HG2 THR 93 2.262 6.003 7.552 673 HG23 THR 93 3HG2 THR 93 2.488 4.951 6.134 674 H LEU 94 H LEU 94 1.269 6.696 2.783 675 HA LEU 94 HA LEU 94 1.927 4.064 1.804 676 HB2 LEU 94 1HB LEU 94 2.463 6.825 0.701 677 HB3 LEU 94 2HB LEU 94 2.837 5.321 -0.119 678 HG LEU 94 HG LEU 94 0.084 6.359 0.604 679 HD11 LEU 94 1HD1 LEU 94 1.209 5.797 -2.144 680 HD12 LEU 94 2HD1 LEU 94 -0.270 6.687 -1.708 681 HD13 LEU 94 3HD1 LEU 94 1.328 7.387 -1.353 682 HD21 LEU 94 1HD2 LEU 94 -0.052 4.014 0.898 683 HD22 LEU 94 2HD2 LEU 94 -0.718 4.355 -0.717 684 HD23 LEU 94 3HD2 LEU 94 0.928 3.697 -0.555 685 H THR 95 H THR 95 4.059 3.253 1.493 686 HA THR 95 HA THR 95 6.250 4.785 2.618 687 HB THR 95 HB THR 95 6.284 2.116 3.785 688 HG1 THR 95 1HG THR 95 3.884 2.636 3.421 689 HG21 THR 95 1HG2 THR 95 6.020 3.585 5.937 690 HG22 THR 95 2HG2 THR 95 7.479 3.840 4.950 691 HG23 THR 95 3HG2 THR 95 6.114 4.975 4.830 692 H LEU 96 H LEU 96 8.160 4.384 1.616 693 HA LEU 96 HA LEU 96 8.053 2.267 -0.408 694 HB2 LEU 96 1HB LEU 96 8.300 4.417 -1.378 695 HB3 LEU 96 2HB LEU 96 9.557 4.872 -0.245 696 HG LEU 96 HG LEU 96 11.034 3.115 -1.258 697 HD11 LEU 96 1HD1 LEU 96 9.105 1.775 -2.194 698 HD12 LEU 96 2HD1 LEU 96 8.998 2.991 -3.490 699 HD13 LEU 96 3HD1 LEU 96 10.484 2.030 -3.290 700 HD21 LEU 96 1HD2 LEU 96 11.825 4.529 -2.894 701 HD22 LEU 96 2HD2 LEU 96 10.196 4.989 -3.444 702 HD23 LEU 96 3HD2 LEU 96 10.837 5.640 -1.916 703 H ARG 97 H ARG 97 8.769 0.427 0.620 704 HA ARG 97 HA ARG 97 11.176 0.721 2.202 705 HB2 ARG 97 1HB ARG 97 9.093 -1.496 1.959 706 HB3 ARG 97 2HB ARG 97 10.610 -1.754 2.798 707 HG2 ARG 97 1HG ARG 97 9.751 -0.777 4.652 708 HG3 ARG 97 2HG ARG 97 9.566 0.728 3.773 709 HD2 ARG 97 1HD ARG 97 7.312 0.279 3.199 710 HD3 ARG 97 2HD ARG 97 7.499 -1.453 3.390 711 HE ARG 97 HE ARG 97 6.936 0.490 5.512 712 HH11 ARG 97 2HH2 ARG 97 8.182 -2.722 4.796 713 HH12 ARG 97 1HH2 ARG 97 7.872 -3.336 6.386 714 HH21 ARG 97 2HH1 ARG 97 6.528 -0.319 7.610 715 HH22 ARG 97 1HH1 ARG 97 6.926 -1.960 7.997 716 H THR 98 H THR 98 12.888 -1.053 1.931 717 HA THR 98 HA THR 98 13.038 -1.849 -0.903 718 HB THR 98 HB THR 98 15.552 -1.669 -0.477 719 HG1 THR 98 1HG THR 98 15.312 -1.857 1.881 720 HG21 THR 98 1HG2 THR 98 15.362 0.469 -1.254 721 HG22 THR 98 2HG2 THR 98 13.652 0.492 -0.759 722 HG23 THR 98 3HG2 THR 98 14.916 1.014 0.381 723 H CYS 99 H CYS 99 14.174 -3.869 -1.376 724 HA CYS 99 HA CYS 99 13.139 -5.962 0.056 725 HB2 CYS 99 1HB CYS 99 13.864 -6.288 -2.205 726 HB3 CYS 99 2HB CYS 99 15.513 -5.836 -1.822 727 HG CYS 99 HG CYS 99 15.782 -8.296 -2.048 728 H ASP 100 H ASP 100 16.628 -6.258 -0.255 729 HA ASP 100 HA ASP 100 18.268 -6.398 1.166 730 HB2 ASP 100 1HB ASP 100 16.733 -4.327 2.284 731 HB3 ASP 100 2HB ASP 100 16.947 -5.431 3.628 732 H ARG 101 H ARG 101 18.703 -7.358 3.633 733 HA ARG 101 HA ARG 101 17.769 -9.897 3.615 734 HB2 ARG 101 1HB ARG 101 19.691 -8.732 5.000 735 HB3 ARG 101 2HB ARG 101 18.460 -8.490 6.223 736 HG2 ARG 101 1HG ARG 101 17.986 -11.083 5.856 737 HG3 ARG 101 2HG ARG 101 19.601 -11.092 5.175 738 HD2 ARG 101 1HD ARG 101 19.842 -9.590 7.570 739 HD3 ARG 101 2HD ARG 101 18.783 -10.922 7.987 740 HE ARG 101 HE ARG 101 20.585 -12.395 7.754 741 HH11 ARG 101 2HH2 ARG 101 21.356 -9.374 6.123 742 HH12 ARG 101 1HH2 ARG 101 22.996 -9.823 5.793 743 HH21 ARG 101 2HH1 ARG 101 22.749 -12.988 7.319 744 HH22 ARG 101 1HH1 ARG 101 23.794 -11.892 6.478 745 H PHE 102 H PHE 102 16.795 -7.320 6.009 746 HA PHE 102 HA PHE 102 14.088 -8.404 5.924 747 HB2 PHE 102 1HB PHE 102 15.882 -7.859 8.363 748 HB3 PHE 102 2HB PHE 102 14.156 -8.131 8.503 749 HD1 PHE 102 1HD PHE 102 13.455 -10.366 7.007 750 HD2 PHE 102 2HD PHE 102 17.150 -9.670 8.975 751 HE1 PHE 102 1HE PHE 102 13.856 -12.841 7.131 752 HE2 PHE 102 2HE PHE 102 17.550 -12.145 9.099 753 HZ PHE 102 HZ PHE 102 15.898 -13.701 8.175 754 H SER 103 H SER 103 14.873 -6.116 4.560 755 HA SER 103 HA SER 103 14.728 -3.925 4.455 756 HB2 SER 103 1HB SER 103 12.254 -5.058 4.802 757 HB3 SER 103 2HB SER 103 12.232 -3.871 6.092 758 HG SER 103 HG SER 103 12.914 -3.249 3.347 759 H ARG 104 H ARG 104 16.613 -4.150 6.265 760 HA ARG 104 HA ARG 104 15.941 -3.353 8.846 761 HB2 ARG 104 1HB ARG 104 18.525 -3.391 7.240 762 HB3 ARG 104 2HB ARG 104 18.505 -2.724 8.861 763 HG2 ARG 104 1HG ARG 104 18.795 -4.847 9.616 764 HG3 ARG 104 2HG ARG 104 17.126 -5.141 9.171 765 HD2 ARG 104 1HD ARG 104 17.910 -6.718 7.727 766 HD3 ARG 104 2HD ARG 104 18.476 -5.396 6.726 767 HE ARG 104 HE ARG 104 20.653 -5.982 7.306 768 HH11 ARG 104 2HH2 ARG 104 18.493 -7.075 9.859 769 HH12 ARG 104 1HH2 ARG 104 19.752 -7.835 10.775 770 HH21 ARG 104 2HH1 ARG 104 22.315 -6.985 8.513 771 HH22 ARG 104 1HH1 ARG 104 21.940 -7.784 10.003 772 H HIS 105 H HIS 105 16.639 -1.242 9.899 773 HA HIS 105 HA HIS 105 16.714 0.950 10.034 774 HB2 HIS 105 1HB HIS 105 17.197 1.216 7.071 775 HB3 HIS 105 2HB HIS 105 17.716 2.277 8.366 776 HD1 HIS 105 1HD HIS 105 19.903 1.694 9.610 777 HD2 HIS 105 2HD HIS 105 18.771 -1.158 6.749 778 HE1 HIS 105 1HE HIS 105 21.905 0.138 9.320 779 H SER 106 H SER 106 15.555 3.054 9.096 780 HA SER 106 HA SER 106 12.862 2.483 9.138 781 HB2 SER 106 1HB SER 106 12.687 4.939 8.282 782 HB3 SER 106 2HB SER 106 13.452 4.652 9.832 783 HG SER 106 HG SER 106 14.572 5.551 7.403 784 H VAL 107 H VAL 107 11.474 3.807 7.190 785 HA VAL 107 HA VAL 107 11.864 2.076 4.928 786 HB VAL 107 HB VAL 107 9.743 2.797 4.243 787 HG11 VAL 107 1HG1 VAL 107 8.339 2.589 6.266 788 HG12 VAL 107 2HG1 VAL 107 9.671 1.408 6.250 789 HG13 VAL 107 3HG1 VAL 107 9.777 2.856 7.280 790 HG21 VAL 107 1HG2 VAL 107 8.998 4.886 6.031 791 HG22 VAL 107 2HG2 VAL 107 10.560 5.331 5.301 792 HG23 VAL 107 3HG2 VAL 107 9.167 4.949 4.260 793 H ALA 108 H ALA 108 11.867 2.968 2.663 794 HA ALA 108 HA ALA 108 13.984 4.819 2.407 795 HB1 ALA 108 1HB ALA 108 12.130 4.119 0.143 796 HB2 ALA 108 2HB ALA 108 13.905 4.249 0.159 797 HB3 ALA 108 3HB ALA 108 13.111 2.831 0.884 798 H GLY 109 H GLY 109 10.604 5.171 2.974 799 HA2 GLY 109 1HA GLY 109 10.588 7.889 3.218 800 HA3 GLY 109 2HA GLY 109 10.222 7.620 1.525 801 H GLU 110 H GLU 110 8.547 8.603 3.904 802 HA GLU 110 HA GLU 110 6.432 6.616 3.595 803 HB2 GLU 110 1HB GLU 110 6.849 6.471 5.878 804 HB3 GLU 110 2HB GLU 110 7.394 8.132 6.002 805 HG2 GLU 110 1HG GLU 110 5.022 8.910 5.660 806 HG3 GLU 110 2HG GLU 110 4.499 7.238 5.610 807 H LEU 111 H LEU 111 4.210 7.477 3.486 808 HA LEU 111 HA LEU 111 4.053 10.343 2.979 809 HB2 LEU 111 1HB LEU 111 4.231 8.466 0.912 810 HB3 LEU 111 2HB LEU 111 2.525 8.853 1.019 811 HG LEU 111 HG LEU 111 4.546 11.077 0.946 812 HD11 LEU 111 1HD1 LEU 111 3.695 10.748 -1.691 813 HD12 LEU 111 2HD1 LEU 111 5.323 10.445 -1.038 814 HD13 LEU 111 3HD1 LEU 111 4.149 9.113 -1.153 815 HD21 LEU 111 1HD2 LEU 111 2.765 12.368 0.048 816 HD22 LEU 111 2HD2 LEU 111 1.765 10.923 -0.235 817 HD23 LEU 111 3HD2 LEU 111 2.102 11.460 1.428 818 H ARG 112 H ARG 112 2.014 11.241 3.459 819 HA ARG 112 HA ARG 112 0.266 9.335 4.791 820 HB2 ARG 112 1HB ARG 112 1.126 10.979 6.366 821 HB3 ARG 112 2HB ARG 112 0.778 12.306 5.275 822 HG2 ARG 112 1HG ARG 112 -1.020 12.401 6.807 823 HG3 ARG 112 2HG ARG 112 -1.716 11.551 5.441 824 HD2 ARG 112 1HD ARG 112 -1.671 9.457 6.540 825 HD3 ARG 112 2HD ARG 112 -0.385 9.937 7.629 826 HE ARG 112 HE ARG 112 -2.863 11.482 7.961 827 HH11 ARG 112 2HH2 ARG 112 -1.061 8.629 8.957 828 HH12 ARG 112 1HH2 ARG 112 -1.906 8.463 10.460 829 HH21 ARG 112 2HH1 ARG 112 -3.978 11.263 9.944 830 HH22 ARG 112 1HH1 ARG 112 -3.576 9.971 11.025 831 H LEU 113 H LEU 113 -2.004 9.393 4.334 832 HA LEU 113 HA LEU 113 -2.967 11.424 2.513 833 HB2 LEU 113 1HB LEU 113 -3.170 8.512 1.754 834 HB3 LEU 113 2HB LEU 113 -3.731 9.897 0.839 835 HG LEU 113 HG LEU 113 -0.815 9.365 1.464 836 HD11 LEU 113 1HD1 LEU 113 -0.690 8.682 -0.961 837 HD12 LEU 113 2HD1 LEU 113 -1.514 7.537 0.123 838 HD13 LEU 113 3HD1 LEU 113 -2.467 8.592 -0.948 839 HD21 LEU 113 1HD2 LEU 113 -1.821 11.735 0.842 840 HD22 LEU 113 2HD2 LEU 113 -0.267 11.172 0.182 841 HD23 LEU 113 3HD2 LEU 113 -1.743 11.067 -0.807 842 H GLY 114 H GLY 114 -5.448 10.873 2.062 843 HA2 GLY 114 1HA GLY 114 -6.587 9.769 4.557 844 HA3 GLY 114 2HA GLY 114 -7.104 11.311 3.903 845 H LEU 115 H LEU 115 -8.883 9.103 4.314 846 HA LEU 115 HA LEU 115 -9.414 8.286 1.543 847 HB2 LEU 115 1HB LEU 115 -10.575 6.913 3.937 848 HB3 LEU 115 2HB LEU 115 -10.337 6.305 2.310 849 HG LEU 115 HG LEU 115 -8.741 5.156 3.525 850 HD11 LEU 115 1HD1 LEU 115 -7.843 7.075 1.698 851 HD12 LEU 115 2HD1 LEU 115 -6.696 7.153 3.057 852 HD13 LEU 115 3HD1 LEU 115 -6.993 5.604 2.230 853 HD21 LEU 115 1HD2 LEU 115 -7.464 5.943 5.353 854 HD22 LEU 115 2HD2 LEU 115 -7.845 7.644 4.989 855 HD23 LEU 115 3HD2 LEU 115 -9.116 6.558 5.600 856 H ASP 116 H ASP 116 -10.530 10.010 4.405 857 HA ASP 116 HA ASP 116 -13.195 10.027 4.083 858 HB2 ASP 116 1HB ASP 116 -12.386 11.244 5.925 859 HB3 ASP 116 2HB ASP 116 -11.187 12.095 4.971 860 H GLY 117 H GLY 117 -10.657 11.688 2.180 861 HA2 GLY 117 1HA GLY 117 -11.080 12.155 -0.123 862 HA3 GLY 117 2HA GLY 117 -12.729 12.587 0.279 863 H THR 118 H THR 118 -10.062 13.564 2.413 864 HA THR 118 HA THR 118 -10.575 16.345 1.625 865 HB THR 118 HB THR 118 -9.548 14.975 4.156 866 HG1 THR 118 1HG THR 118 -11.598 15.668 4.810 867 HG21 THR 118 1HG2 THR 118 -9.970 17.973 3.772 868 HG22 THR 118 2HG2 THR 118 -9.230 17.140 5.160 869 HG23 THR 118 3HG2 THR 118 -8.359 17.233 3.610 870 H SER 119 H SER 119 -7.665 15.000 3.222 871 HA SER 119 HA SER 119 -5.869 16.557 2.111 872 HB2 SER 119 1HB SER 119 -5.683 13.580 2.694 873 HB3 SER 119 2HB SER 119 -4.278 14.500 2.194 874 HG SER 119 HG SER 119 -4.501 15.851 4.043 875 H VAL 120 H VAL 120 -6.971 13.423 0.625 876 HA VAL 120 HA VAL 120 -6.344 14.574 -1.986 877 HB VAL 120 HB VAL 120 -4.405 13.343 -1.646 878 HG11 VAL 120 1HG1 VAL 120 -5.222 12.244 0.468 879 HG12 VAL 120 2HG1 VAL 120 -5.990 11.001 -0.548 880 HG13 VAL 120 3HG1 VAL 120 -4.222 11.206 -0.576 881 HG21 VAL 120 1HG2 VAL 120 -4.614 11.324 -3.094 882 HG22 VAL 120 2HG2 VAL 120 -6.384 11.499 -3.025 883 HG23 VAL 120 3HG2 VAL 120 -5.393 12.771 -3.779 884 HA PRO 121 HA PRO 121 -10.280 12.907 -2.719 885 HB2 PRO 121 1HB PRO 121 -10.460 13.407 -5.400 886 HB3 PRO 121 2HB PRO 121 -10.801 14.613 -4.175 887 HG2 PRO 121 1HG PRO 121 -8.426 14.361 -5.917 888 HG3 PRO 121 2HG PRO 121 -8.980 15.755 -5.011 889 HD2 PRO 121 1HD PRO 121 -6.811 14.011 -4.320 890 HD3 PRO 121 2HD PRO 121 -7.439 15.334 -3.358 891 H LEU 122 H LEU 122 -11.502 11.334 -4.186 892 HA LEU 122 HA LEU 122 -9.683 9.074 -4.458 893 HB2 LEU 122 1HB LEU 122 -12.681 9.330 -4.285 894 HB3 LEU 122 2HB LEU 122 -11.886 7.830 -4.719 895 HG LEU 122 HG LEU 122 -11.312 9.308 -2.141 896 HD11 LEU 122 1HD1 LEU 122 -13.637 7.699 -2.888 897 HD12 LEU 122 2HD1 LEU 122 -12.787 7.078 -1.452 898 HD13 LEU 122 3HD1 LEU 122 -13.372 8.759 -1.482 899 HD21 LEU 122 1HD2 LEU 122 -9.573 7.874 -2.234 900 HD22 LEU 122 2HD2 LEU 122 -10.782 6.710 -1.641 901 HD23 LEU 122 3HD2 LEU 122 -10.388 6.779 -3.376 902 H GLY 123 H GLY 123 -9.881 7.658 -6.397 903 HA2 GLY 123 1HA GLY 123 -9.711 7.398 -8.623 904 HA3 GLY 123 2HA GLY 123 -11.191 8.328 -8.731 905 H ALA 124 H ALA 124 -8.482 9.924 -7.176 906 HA ALA 124 HA ALA 124 -7.903 11.339 -9.686 907 HB1 ALA 124 1HB ALA 124 -8.103 13.409 -8.638 908 HB2 ALA 124 2HB ALA 124 -9.407 12.492 -7.847 909 HB3 ALA 124 3HB ALA 124 -7.853 12.729 -7.012 910 H ALA 125 H ALA 125 -5.927 10.451 -10.197 911 HA ALA 125 HA ALA 125 -4.066 9.640 -8.251 912 HB1 ALA 125 1HB ALA 125 -2.760 9.026 -10.081 913 HB2 ALA 125 2HB ALA 125 -4.391 9.026 -10.795 914 HB3 ALA 125 3HB ALA 125 -3.302 10.408 -11.064 915 H GLN 126 H GLN 126 -2.184 10.647 -7.452 916 HA GLN 126 HA GLN 126 -1.812 13.405 -8.263 917 HB2 GLN 126 1HB GLN 126 -1.783 12.637 -5.324 918 HB3 GLN 126 2HB GLN 126 -1.798 14.246 -6.018 919 HG2 GLN 126 1HG GLN 126 -4.079 12.243 -6.352 920 HG3 GLN 126 2HG GLN 126 -4.039 13.463 -5.094 921 HE21 GLN 126 1HE2 GLN 126 -6.084 14.017 -6.206 922 HE22 GLN 126 2HE2 GLN 126 -6.043 15.154 -7.512 923 H TRP 127 H TRP 127 0.373 14.240 -7.759 924 HA TRP 127 HA TRP 127 2.280 12.021 -7.534 925 HB2 TRP 127 1HB TRP 127 2.176 14.510 -9.124 926 HB3 TRP 127 2HB TRP 127 3.739 14.125 -8.431 927 HD1 TRP 127 HD TRP 127 1.650 13.298 -11.389 928 HE1 TRP 127 1HE TRP 127 2.604 11.294 -12.816 929 HE3 TRP 127 3HE TRP 127 4.989 11.713 -7.897 930 HZ2 TRP 127 2HZ TRP 127 4.604 9.316 -12.335 931 HZ3 TRP 127 3HZ TRP 127 6.404 9.739 -8.455 932 HH2 TRP 127 HH TRP 127 6.252 8.551 -10.586 933 H GLY 128 H GLY 128 1.899 12.059 -5.143 934 HA2 GLY 128 1HA GLY 128 2.714 14.461 -3.729 935 HA3 GLY 128 2HA GLY 128 2.133 12.956 -3.045 936 H GLU 129 H GLU 129 4.599 14.685 -2.480 937 HA GLU 129 HA GLU 129 6.728 12.950 -3.307 938 HB2 GLU 129 1HB GLU 129 6.459 15.679 -2.271 939 HB3 GLU 129 2HB GLU 129 7.731 14.810 -1.436 940 HG2 GLU 129 1HG GLU 129 9.052 15.325 -3.217 941 HG3 GLU 129 2HG GLU 129 8.181 14.074 -4.081 942 H LEU 130 H LEU 130 8.272 11.999 -1.695 943 HA LEU 130 HA LEU 130 6.768 10.761 0.421 944 HB2 LEU 130 1HB LEU 130 9.550 10.419 -0.681 945 HB3 LEU 130 2HB LEU 130 9.012 9.589 0.766 946 HG LEU 130 HG LEU 130 7.588 9.359 -1.894 947 HD11 LEU 130 1HD1 LEU 130 10.070 8.085 -0.951 948 HD12 LEU 130 2HD1 LEU 130 8.834 6.955 -1.556 949 HD13 LEU 130 3HD1 LEU 130 9.420 8.274 -2.598 950 HD21 LEU 130 1HD2 LEU 130 6.911 7.128 -0.691 951 HD22 LEU 130 2HD2 LEU 130 7.306 8.043 0.783 952 HD23 LEU 130 3HD2 LEU 130 6.059 8.649 -0.333 953 H LYS 131 H LYS 131 6.988 11.089 2.627 954 HA LYS 131 HA LYS 131 8.518 13.481 3.325 955 HB2 LYS 131 1HB LYS 131 6.224 12.077 4.725 956 HB3 LYS 131 2HB LYS 131 7.080 13.462 5.372 957 HG2 LYS 131 1HG LYS 131 5.781 13.501 2.614 958 HG3 LYS 131 2HG LYS 131 4.905 13.950 4.064 959 HD2 LYS 131 1HD LYS 131 5.795 16.030 3.956 960 HD3 LYS 131 2HD LYS 131 7.398 15.355 4.164 961 HE2 LYS 131 1HE LYS 131 7.794 15.225 1.821 962 HE3 LYS 131 2HE LYS 131 6.087 15.287 1.429 963 HZ1 LYS 131 1HZ LYS 131 6.135 17.577 2.386 964 HZ2 LYS 131 2HZ LYS 131 7.765 17.483 2.403 965 HZ3 LYS 131 3HZ LYS 131 6.956 17.389 0.987 966 H THR 132 H THR 132 10.386 11.758 2.921 967 HA THR 132 HA THR 132 10.864 9.709 4.696 968 HB THR 132 HB THR 132 13.220 10.030 3.987 969 HG1 THR 132 1HG THR 132 13.584 12.108 2.792 970 HG21 THR 132 1HG2 THR 132 11.093 9.730 2.182 971 HG22 THR 132 2HG2 THR 132 11.997 11.113 1.518 972 HG23 THR 132 3HG2 THR 132 12.817 9.554 1.776 973 H SER 133 H SER 133 12.089 9.487 6.629 974 HA SER 133 HA SER 133 12.973 11.762 8.005 975 HB2 SER 133 1HB SER 133 10.776 12.339 8.599 976 HB3 SER 133 2HB SER 133 10.238 10.673 8.660 977 HG SER 133 HG SER 133 11.372 10.377 10.641 978 H GLY 134 H GLY 134 14.864 10.444 8.201 979 HA2 GLY 134 1HA GLY 134 14.878 8.678 10.446 980 HA3 GLY 134 2HA GLY 134 15.005 7.800 8.935 981 HA PRO 135 HA PRO 135 19.135 9.466 10.109 982 HB2 PRO 135 1HB PRO 135 20.385 7.153 10.852 983 HB3 PRO 135 2HB PRO 135 19.665 8.264 12.000 984 HG2 PRO 135 1HG PRO 135 18.657 5.643 11.074 985 HG3 PRO 135 2HG PRO 135 18.197 6.556 12.498 986 HD2 PRO 135 1HD PRO 135 16.709 6.316 10.057 987 HD3 PRO 135 2HD PRO 135 16.306 7.320 11.436 988 H SER 136 H SER 136 18.510 6.343 8.598 989 HA SER 136 HA SER 136 20.218 7.301 6.439 990 HB2 SER 136 1HB SER 136 21.266 5.192 6.204 991 HB3 SER 136 2HB SER 136 21.230 5.451 7.937 992 HG SER 136 HG SER 136 18.948 4.244 7.520 993 H SER 137 H SER 137 19.783 5.681 4.400 994 HA SER 137 HA SER 137 16.943 5.088 4.340 995 HB2 SER 137 1HB SER 137 17.419 7.384 3.337 996 HB3 SER 137 2HB SER 137 18.380 6.587 2.108 997 HG SER 137 HG SER 137 16.411 5.307 1.586 998 H GLY 138 H GLY 138 16.368 3.421 2.768 999 HA2 GLY 138 1HA GLY 138 16.919 1.914 1.055 1000 HA3 GLY 138 2HA GLY 138 18.624 2.128 1.398 Start of MODEL 6 1 H1 GLY 1 H GLY 1 33.123 -1.573 12.402 2 HA2 GLY 1 1HA GLY 1 31.642 -0.715 10.153 3 HA3 GLY 1 2HA GLY 1 30.608 -0.717 11.568 4 H SER 2 H SER 2 31.014 1.723 10.475 5 HA SER 2 HA SER 2 32.892 2.911 12.356 6 HB2 SER 2 1HB SER 2 33.681 2.864 9.887 7 HB3 SER 2 2HB SER 2 32.407 4.025 9.568 8 HG SER 2 HG SER 2 34.090 5.349 10.039 9 H SER 3 H SER 3 30.261 3.715 9.962 10 HA SER 3 HA SER 3 28.486 4.564 11.883 11 HB2 SER 3 1HB SER 3 30.535 6.510 11.370 12 HB3 SER 3 2HB SER 3 29.057 7.118 10.651 13 HG SER 3 HG SER 3 29.417 7.674 12.969 14 H GLY 4 H GLY 4 29.725 5.765 8.669 15 HA2 GLY 4 1HA GLY 4 28.567 4.827 6.706 16 HA3 GLY 4 2HA GLY 4 27.059 5.140 7.542 17 H SER 5 H SER 5 26.712 6.384 5.404 18 HA SER 5 HA SER 5 26.959 9.106 5.993 19 HB2 SER 5 1HB SER 5 28.504 9.878 4.369 20 HB3 SER 5 2HB SER 5 29.308 8.507 5.107 21 HG SER 5 HG SER 5 29.412 7.616 3.174 22 H SER 6 H SER 6 26.052 10.455 4.043 23 HA SER 6 HA SER 6 24.616 8.882 2.137 24 HB2 SER 6 1HB SER 6 23.210 9.012 4.325 25 HB3 SER 6 2HB SER 6 22.989 10.708 3.941 26 HG SER 6 HG SER 6 22.494 8.990 1.775 27 H GLY 7 H GLY 7 23.200 10.508 0.715 28 HA2 GLY 7 1HA GLY 7 24.908 12.428 -0.357 29 HA3 GLY 7 2HA GLY 7 23.186 12.292 -0.649 30 H SER 8 H SER 8 23.160 14.684 -0.729 31 HA SER 8 HA SER 8 23.130 15.764 1.979 32 HB2 SER 8 1HB SER 8 25.063 16.664 0.736 33 HB3 SER 8 2HB SER 8 24.022 17.154 -0.585 34 HG SER 8 HG SER 8 22.852 18.396 1.298 35 H TRP 9 H TRP 9 22.194 16.946 -1.333 36 HA TRP 9 HA TRP 9 19.418 16.645 -0.828 37 HB2 TRP 9 1HB TRP 9 19.826 18.535 0.668 38 HB3 TRP 9 2HB TRP 9 20.547 19.444 -0.645 39 HD1 TRP 9 HD TRP 9 17.106 18.291 0.630 40 HE1 TRP 9 1HE TRP 9 15.149 19.590 -0.573 41 HE3 TRP 9 3HE TRP 9 20.051 20.596 -2.815 42 HZ2 TRP 9 2HZ TRP 9 15.055 21.395 -2.782 43 HZ3 TRP 9 3HZ TRP 9 18.947 22.110 -4.459 44 HH2 TRP 9 HH TRP 9 16.538 22.525 -4.480 45 H ASN 10 H ASN 10 18.356 16.675 -2.822 46 HA ASN 10 HA ASN 10 18.953 18.192 -4.959 47 HB2 ASN 10 1HB ASN 10 20.956 16.094 -4.617 48 HB3 ASN 10 2HB ASN 10 20.063 15.798 -6.096 49 HD21 ASN 10 1HD2 ASN 10 22.809 16.584 -5.785 50 HD22 ASN 10 2HD2 ASN 10 23.038 18.093 -6.603 51 H GLN 11 H GLN 11 16.818 17.992 -5.679 52 HA GLN 11 HA GLN 11 14.986 17.128 -6.460 53 HB2 GLN 11 1HB GLN 11 16.782 14.740 -7.044 54 HB3 GLN 11 2HB GLN 11 15.100 14.789 -7.535 55 HG2 GLN 11 1HG GLN 11 15.473 16.375 -9.175 56 HG3 GLN 11 2HG GLN 11 16.694 17.216 -8.240 57 HE21 GLN 11 1HE2 GLN 11 17.975 17.323 -10.113 58 HE22 GLN 11 2HE2 GLN 11 18.915 15.977 -10.666 59 H ALA 12 H ALA 12 13.246 16.634 -5.198 60 HA ALA 12 HA ALA 12 13.683 14.972 -2.876 61 HB1 ALA 12 1HB ALA 12 12.244 16.499 -2.068 62 HB2 ALA 12 2HB ALA 12 11.920 17.126 -3.703 63 HB3 ALA 12 3HB ALA 12 10.973 15.758 -3.070 64 HA PRO 13 HA PRO 13 11.880 11.429 -4.579 65 HB2 PRO 13 1HB PRO 13 10.995 10.136 -2.340 66 HB3 PRO 13 2HB PRO 13 12.667 10.111 -2.863 67 HG2 PRO 13 1HG PRO 13 11.444 11.622 -0.635 68 HG3 PRO 13 2HG PRO 13 13.134 11.248 -0.911 69 HD2 PRO 13 1HD PRO 13 11.837 13.767 -1.362 70 HD3 PRO 13 2HD PRO 13 13.498 13.359 -1.746 71 H LYS 14 H LYS 14 10.114 10.944 -5.735 72 HA LYS 14 HA LYS 14 7.640 12.046 -4.595 73 HB2 LYS 14 1HB LYS 14 8.885 12.341 -7.221 74 HB3 LYS 14 2HB LYS 14 7.244 11.740 -7.339 75 HG2 LYS 14 1HG LYS 14 6.802 13.663 -5.492 76 HG3 LYS 14 2HG LYS 14 8.234 14.358 -6.225 77 HD2 LYS 14 1HD LYS 14 5.937 13.379 -7.957 78 HD3 LYS 14 2HD LYS 14 5.878 14.967 -7.218 79 HE2 LYS 14 1HE LYS 14 8.308 14.095 -8.826 80 HE3 LYS 14 2HE LYS 14 6.891 14.743 -9.628 81 HZ1 LYS 14 1HZ LYS 14 7.706 16.306 -7.399 82 HZ2 LYS 14 2HZ LYS 14 8.868 16.198 -8.542 83 HZ3 LYS 14 3HZ LYS 14 7.389 16.770 -8.932 84 H LEU 15 H LEU 15 5.710 10.783 -4.793 85 HA LEU 15 HA LEU 15 6.111 8.047 -5.722 86 HB2 LEU 15 1HB LEU 15 6.576 7.655 -3.505 87 HB3 LEU 15 2HB LEU 15 5.494 8.908 -2.931 88 HG LEU 15 HG LEU 15 3.553 7.538 -3.382 89 HD11 LEU 15 1HD1 LEU 15 5.219 5.189 -4.206 90 HD12 LEU 15 2HD1 LEU 15 3.507 5.551 -4.532 91 HD13 LEU 15 3HD1 LEU 15 4.784 6.421 -5.415 92 HD21 LEU 15 1HD2 LEU 15 5.456 5.651 -2.021 93 HD22 LEU 15 2HD2 LEU 15 5.059 7.225 -1.290 94 HD23 LEU 15 3HD2 LEU 15 3.767 6.046 -1.623 95 H HIS 16 H HIS 16 4.605 7.767 -7.271 96 HA HIS 16 HA HIS 16 2.223 9.386 -7.174 97 HB2 HIS 16 1HB HIS 16 3.619 8.958 -9.248 98 HB3 HIS 16 2HB HIS 16 3.012 7.314 -9.234 99 HD1 HIS 16 1HD HIS 16 1.009 6.970 -10.676 100 HD2 HIS 16 2HD HIS 16 1.248 10.904 -9.240 101 HE1 HIS 16 1HE HIS 16 -0.954 8.228 -11.710 102 H TYR 17 H TYR 17 0.092 8.613 -6.932 103 HA TYR 17 HA TYR 17 -0.370 5.797 -6.634 104 HB2 TYR 17 1HB TYR 17 -1.231 6.243 -4.227 105 HB3 TYR 17 2HB TYR 17 0.512 6.307 -4.395 106 HD1 TYR 17 2HD TYR 17 -2.537 8.446 -4.223 107 HD2 TYR 17 1HD TYR 17 1.719 8.262 -3.823 108 HE1 TYR 17 2HE TYR 17 -2.521 10.789 -3.236 109 HE2 TYR 17 1HE TYR 17 1.720 10.606 -2.837 110 HH TYR 17 HH TYR 17 0.325 12.114 -1.784 111 H CYS 18 H CYS 18 -2.530 5.288 -6.981 112 HA CYS 18 HA CYS 18 -4.284 7.617 -7.289 113 HB2 CYS 18 1HB CYS 18 -3.950 6.758 -9.463 114 HB3 CYS 18 2HB CYS 18 -4.050 5.092 -8.930 115 HG CYS 18 HG CYS 18 -6.552 6.997 -8.134 116 H LEU 19 H LEU 19 -5.409 7.629 -5.334 117 HA LEU 19 HA LEU 19 -6.090 5.191 -4.023 118 HB2 LEU 19 1HB LEU 19 -7.151 7.951 -3.444 119 HB3 LEU 19 2HB LEU 19 -7.062 6.579 -2.358 120 HG LEU 19 HG LEU 19 -4.920 8.472 -3.224 121 HD11 LEU 19 1HD1 LEU 19 -4.813 8.961 -1.051 122 HD12 LEU 19 2HD1 LEU 19 -6.331 8.044 -0.890 123 HD13 LEU 19 3HD1 LEU 19 -4.771 7.247 -0.575 124 HD21 LEU 19 1HD2 LEU 19 -4.520 5.539 -2.790 125 HD22 LEU 19 2HD2 LEU 19 -3.703 6.656 -3.910 126 HD23 LEU 19 3HD2 LEU 19 -3.298 6.680 -2.177 127 H ASP 20 H ASP 20 -8.081 4.137 -3.905 128 HA ASP 20 HA ASP 20 -10.338 5.315 -5.167 129 HB2 ASP 20 1HB ASP 20 -9.384 4.449 -7.191 130 HB3 ASP 20 2HB ASP 20 -8.851 2.974 -6.408 131 H TYR 21 H TYR 21 -11.851 4.783 -3.580 132 HA TYR 21 HA TYR 21 -11.583 2.162 -2.289 133 HB2 TYR 21 1HB TYR 21 -11.538 4.372 -0.973 134 HB3 TYR 21 2HB TYR 21 -13.133 4.737 -1.601 135 HD1 TYR 21 1HD TYR 21 -11.310 2.130 0.378 136 HD2 TYR 21 2HD TYR 21 -15.028 4.103 -0.386 137 HE1 TYR 21 1HE TYR 21 -12.369 0.911 2.342 138 HE2 TYR 21 2HE TYR 21 -16.075 2.878 1.580 139 HH TYR 21 HH TYR 21 -15.308 0.385 2.760 140 H ASP 22 H ASP 22 -12.895 0.600 -3.089 141 HA ASP 22 HA ASP 22 -15.242 1.411 -4.517 142 HB2 ASP 22 1HB ASP 22 -13.478 -0.623 -4.890 143 HB3 ASP 22 2HB ASP 22 -14.652 -1.475 -3.908 144 H CYS 23 H CYS 23 -16.565 2.233 -2.719 145 HA CYS 23 HA CYS 23 -16.973 1.144 -0.305 146 HB2 CYS 23 1HB CYS 23 -18.992 2.345 -0.179 147 HB3 CYS 23 2HB CYS 23 -18.005 3.253 -1.307 148 HG CYS 23 HG CYS 23 -19.118 2.667 -3.436 149 H GLN 24 H GLN 24 -18.210 0.042 -3.484 150 HA GLN 24 HA GLN 24 -20.130 -1.703 -2.597 151 HB2 GLN 24 1HB GLN 24 -18.315 -2.143 -5.004 152 HB3 GLN 24 2HB GLN 24 -19.943 -2.753 -4.790 153 HG2 GLN 24 1HG GLN 24 -19.965 0.126 -4.413 154 HG3 GLN 24 2HG GLN 24 -19.138 -0.240 -5.914 155 HE21 GLN 24 1HE2 GLN 24 -20.205 -1.866 -7.340 156 HE22 GLN 24 2HE2 GLN 24 -21.926 -1.799 -7.519 157 H LYS 25 H LYS 25 -16.583 -2.192 -3.101 158 HA LYS 25 HA LYS 25 -16.850 -4.863 -1.954 159 HB2 LYS 25 1HB LYS 25 -14.237 -3.835 -2.952 160 HB3 LYS 25 2HB LYS 25 -14.932 -5.439 -3.060 161 HG2 LYS 25 1HG LYS 25 -16.687 -4.378 -4.674 162 HG3 LYS 25 2HG LYS 25 -15.611 -2.996 -4.744 163 HD2 LYS 25 1HD LYS 25 -14.242 -4.061 -6.204 164 HD3 LYS 25 2HD LYS 25 -14.044 -5.412 -5.105 165 HE2 LYS 25 1HE LYS 25 -16.593 -5.899 -6.028 166 HE3 LYS 25 2HE LYS 25 -15.896 -5.114 -7.432 167 HZ1 LYS 25 1HZ LYS 25 -14.452 -6.792 -7.734 168 HZ2 LYS 25 2HZ LYS 25 -14.285 -7.137 -6.146 169 HZ3 LYS 25 3HZ LYS 25 -15.601 -7.659 -6.962 170 H ALA 26 H ALA 26 -16.565 -1.733 -0.885 171 HA ALA 26 HA ALA 26 -15.701 -0.743 0.906 172 HB1 ALA 26 1HB ALA 26 -15.607 -3.246 2.498 173 HB2 ALA 26 2HB ALA 26 -16.478 -1.725 2.807 174 HB3 ALA 26 3HB ALA 26 -17.155 -2.926 1.681 175 H GLU 27 H GLU 27 -13.805 -2.000 -1.066 176 HA GLU 27 HA GLU 27 -11.581 -2.370 0.787 177 HB2 GLU 27 1HB GLU 27 -11.943 -3.494 -2.026 178 HB3 GLU 27 2HB GLU 27 -10.480 -3.661 -1.075 179 HG2 GLU 27 1HG GLU 27 -11.354 -5.391 0.108 180 HG3 GLU 27 2HG GLU 27 -12.781 -4.463 0.525 181 H LEU 28 H LEU 28 -9.676 -1.154 0.442 182 HA LEU 28 HA LEU 28 -10.068 1.151 -1.266 183 HB2 LEU 28 1HB LEU 28 -9.348 1.384 1.077 184 HB3 LEU 28 2HB LEU 28 -7.888 0.485 0.717 185 HG LEU 28 HG LEU 28 -7.182 2.250 -0.860 186 HD11 LEU 28 1HD1 LEU 28 -9.411 3.048 -1.517 187 HD12 LEU 28 2HD1 LEU 28 -9.630 3.758 0.101 188 HD13 LEU 28 3HD1 LEU 28 -8.357 4.378 -0.978 189 HD21 LEU 28 1HD2 LEU 28 -7.808 3.110 1.974 190 HD22 LEU 28 2HD2 LEU 28 -6.309 2.375 1.355 191 HD23 LEU 28 3HD2 LEU 28 -6.760 4.026 0.864 192 H PHE 29 H PHE 29 -8.035 1.929 -2.522 193 HA PHE 29 HA PHE 29 -6.357 -0.191 -3.479 194 HB2 PHE 29 1HB PHE 29 -8.481 1.232 -5.192 195 HB3 PHE 29 2HB PHE 29 -7.186 0.274 -5.882 196 HD1 PHE 29 2HD PHE 29 -10.189 0.094 -3.728 197 HD2 PHE 29 1HD PHE 29 -7.354 -2.081 -6.019 198 HE1 PHE 29 2HE PHE 29 -11.604 -1.969 -3.522 199 HE2 PHE 29 1HE PHE 29 -8.770 -4.143 -5.812 200 HZ PHE 29 HZ PHE 29 -10.878 -4.062 -4.566 201 H VAL 30 H VAL 30 -4.401 0.634 -4.151 202 HA VAL 30 HA VAL 30 -4.339 3.524 -4.678 203 HB VAL 30 HB VAL 30 -2.244 1.908 -3.216 204 HG11 VAL 30 1HG1 VAL 30 -2.063 4.369 -4.528 205 HG12 VAL 30 2HG1 VAL 30 -2.244 4.791 -2.808 206 HG13 VAL 30 3HG1 VAL 30 -0.927 3.711 -3.326 207 HG21 VAL 30 1HG2 VAL 30 -3.644 3.955 -1.663 208 HG22 VAL 30 2HG2 VAL 30 -4.722 2.647 -2.205 209 HG23 VAL 30 3HG2 VAL 30 -3.267 2.264 -1.254 210 H THR 31 H THR 31 -4.663 2.728 -6.950 211 HA THR 31 HA THR 31 -2.485 1.216 -8.088 212 HB THR 31 HB THR 31 -3.870 1.644 -10.194 213 HG1 THR 31 1HG THR 31 -5.041 3.506 -9.799 214 HG21 THR 31 1HG2 THR 31 -5.198 0.562 -7.669 215 HG22 THR 31 2HG2 THR 31 -6.056 0.590 -9.228 216 HG23 THR 31 3HG2 THR 31 -4.559 -0.357 -9.053 217 H ARG 32 H ARG 32 -2.160 2.487 -10.575 218 HA ARG 32 HA ARG 32 -0.711 3.831 -11.474 219 HB2 ARG 32 1HB ARG 32 -2.092 5.950 -9.749 220 HB3 ARG 32 2HB ARG 32 -1.166 6.275 -11.201 221 HG2 ARG 32 1HG ARG 32 -3.487 4.331 -11.326 222 HG3 ARG 32 2HG ARG 32 -3.810 6.053 -11.325 223 HD2 ARG 32 1HD ARG 32 -2.245 6.315 -13.293 224 HD3 ARG 32 2HD ARG 32 -2.017 4.578 -13.315 225 HE ARG 32 HE ARG 32 -4.400 6.043 -14.206 226 HH11 ARG 32 2HH2 ARG 32 -3.141 2.929 -13.154 227 HH12 ARG 32 1HH2 ARG 32 -4.402 2.018 -13.915 228 HH21 ARG 32 2HH1 ARG 32 -6.064 4.841 -15.210 229 HH22 ARG 32 1HH1 ARG 32 -6.076 3.113 -15.092 230 H LEU 33 H LEU 33 0.748 2.529 -9.710 231 HA LEU 33 HA LEU 33 1.939 4.389 -7.821 232 HB2 LEU 33 1HB LEU 33 2.164 1.422 -8.284 233 HB3 LEU 33 2HB LEU 33 3.264 2.283 -7.226 234 HG LEU 33 HG LEU 33 0.256 2.093 -6.904 235 HD11 LEU 33 1HD1 LEU 33 2.486 0.452 -5.969 236 HD12 LEU 33 2HD1 LEU 33 1.449 1.040 -4.646 237 HD13 LEU 33 3HD1 LEU 33 0.738 0.117 -5.991 238 HD21 LEU 33 1HD2 LEU 33 0.489 4.048 -5.827 239 HD22 LEU 33 2HD2 LEU 33 1.188 3.049 -4.530 240 HD23 LEU 33 3HD2 LEU 33 2.255 3.883 -5.685 241 H GLU 34 H GLU 34 3.688 5.591 -8.318 242 HA GLU 34 HA GLU 34 5.644 4.468 -10.087 243 HB2 GLU 34 1HB GLU 34 4.524 7.203 -10.786 244 HB3 GLU 34 2HB GLU 34 5.603 6.204 -11.739 245 HG2 GLU 34 1HG GLU 34 3.784 4.499 -12.003 246 HG3 GLU 34 2HG GLU 34 2.705 5.508 -11.061 247 H ALA 35 H ALA 35 7.275 4.587 -8.557 248 HA ALA 35 HA ALA 35 7.495 6.864 -6.840 249 HB1 ALA 35 1HB ALA 35 9.663 5.626 -6.212 250 HB2 ALA 35 2HB ALA 35 8.131 4.766 -5.923 251 HB3 ALA 35 3HB ALA 35 9.128 4.357 -7.340 252 H VAL 36 H VAL 36 8.772 8.666 -7.081 253 HA VAL 36 HA VAL 36 10.499 8.689 -9.460 254 HB VAL 36 HB VAL 36 8.605 10.752 -8.356 255 HG11 VAL 36 1HG1 VAL 36 9.985 11.838 -10.587 256 HG12 VAL 36 2HG1 VAL 36 9.983 12.417 -8.904 257 HG13 VAL 36 3HG1 VAL 36 11.218 11.254 -9.444 258 HG21 VAL 36 1HG2 VAL 36 7.657 10.753 -10.548 259 HG22 VAL 36 2HG2 VAL 36 9.008 9.799 -11.206 260 HG23 VAL 36 3HG2 VAL 36 7.858 9.050 -10.072 261 H THR 37 H THR 37 12.272 7.948 -8.112 262 HA THR 37 HA THR 37 13.225 10.067 -6.298 263 HB THR 37 HB THR 37 14.193 8.252 -4.932 264 HG1 THR 37 1HG THR 37 14.387 6.279 -5.935 265 HG21 THR 37 1HG2 THR 37 11.320 8.415 -5.478 266 HG22 THR 37 2HG2 THR 37 11.788 6.738 -5.108 267 HG23 THR 37 3HG2 THR 37 12.141 8.037 -3.944 268 H SER 38 H SER 38 14.268 7.334 -8.439 269 HA SER 38 HA SER 38 15.859 7.253 -9.929 270 HB2 SER 38 1HB SER 38 15.246 9.703 -10.397 271 HB3 SER 38 2HB SER 38 16.582 10.156 -9.357 272 HG SER 38 HG SER 38 17.143 8.267 -11.408 273 H ASN 39 H ASN 39 18.431 7.529 -10.087 274 HA ASN 39 HA ASN 39 19.581 6.218 -8.108 275 HB2 ASN 39 1HB ASN 39 20.477 7.835 -10.327 276 HB3 ASN 39 2HB ASN 39 21.501 8.226 -8.960 277 HD21 ASN 39 1HD2 ASN 39 21.627 6.539 -11.559 278 HD22 ASN 39 2HD2 ASN 39 22.408 5.071 -11.077 279 H HIS 40 H HIS 40 19.677 6.655 -5.900 280 HA HIS 40 HA HIS 40 20.941 8.863 -4.862 281 HB2 HIS 40 1HB HIS 40 18.347 9.550 -5.715 282 HB3 HIS 40 2HB HIS 40 18.233 9.396 -3.973 283 HD1 HIS 40 1HD HIS 40 18.743 11.503 -2.747 284 HD2 HIS 40 2HD HIS 40 20.780 11.289 -6.408 285 HE1 HIS 40 1HE HIS 40 20.027 13.696 -2.980 286 H ASP 41 H ASP 41 21.779 6.854 -3.886 287 HA ASP 41 HA ASP 41 22.022 5.549 -2.170 288 HB2 ASP 41 1HB ASP 41 20.159 7.567 -1.167 289 HB3 ASP 41 2HB ASP 41 19.815 6.016 -0.427 290 H GLY 42 H GLY 42 21.448 3.633 -3.401 291 HA2 GLY 42 1HA GLY 42 19.118 2.251 -2.485 292 HA3 GLY 42 2HA GLY 42 18.949 2.785 -4.145 293 H GLY 43 H GLY 43 18.866 0.325 -4.457 294 HA2 GLY 43 1HA GLY 43 20.955 -0.650 -5.840 295 HA3 GLY 43 2HA GLY 43 21.389 -1.072 -4.195 296 H CYS 44 H CYS 44 19.452 -2.080 -2.851 297 HA CYS 44 HA CYS 44 18.759 -4.446 -4.135 298 HB2 CYS 44 1HB CYS 44 18.727 -3.484 -1.519 299 HB3 CYS 44 2HB CYS 44 17.035 -3.778 -1.867 300 HG CYS 44 HG CYS 44 18.056 -6.142 -3.257 301 H ASP 45 H ASP 45 16.169 -5.095 -3.918 302 HA ASP 45 HA ASP 45 14.966 -3.466 -5.893 303 HB2 ASP 45 1HB ASP 45 13.572 -5.643 -4.293 304 HB3 ASP 45 2HB ASP 45 13.236 -5.138 -5.937 305 H CYS 46 H CYS 46 13.198 -2.006 -5.600 306 HA CYS 46 HA CYS 46 12.471 -1.539 -2.802 307 HB2 CYS 46 1HB CYS 46 11.998 0.775 -3.431 308 HB3 CYS 46 2HB CYS 46 13.653 0.350 -3.819 309 HG CYS 46 HG CYS 46 11.956 -0.619 -6.226 310 H TYR 47 H TYR 47 10.139 -0.726 -2.536 311 HA TYR 47 HA TYR 47 8.317 -1.324 -4.668 312 HB2 TYR 47 1HB TYR 47 7.172 -3.080 -3.141 313 HB3 TYR 47 2HB TYR 47 8.704 -3.598 -3.815 314 HD1 TYR 47 2HD TYR 47 10.810 -3.352 -2.345 315 HD2 TYR 47 1HD TYR 47 6.827 -3.063 -0.808 316 HE1 TYR 47 2HE TYR 47 11.672 -3.825 -0.001 317 HE2 TYR 47 1HE TYR 47 7.704 -3.538 1.531 318 HH TYR 47 HH TYR 47 10.327 -4.934 2.222 319 H VAL 48 H VAL 48 6.039 -0.832 -4.033 320 HA VAL 48 HA VAL 48 6.063 1.312 -2.070 321 HB VAL 48 HB VAL 48 3.908 0.459 -4.011 322 HG11 VAL 48 1HG1 VAL 48 4.186 3.266 -3.056 323 HG12 VAL 48 2HG1 VAL 48 2.726 2.313 -3.417 324 HG13 VAL 48 3HG1 VAL 48 3.591 2.070 -1.880 325 HG21 VAL 48 1HG2 VAL 48 6.454 1.743 -4.505 326 HG22 VAL 48 2HG2 VAL 48 5.198 1.235 -5.659 327 HG23 VAL 48 3HG2 VAL 48 5.113 2.844 -4.903 328 H GLN 49 H GLN 49 4.795 1.337 -0.199 329 HA GLN 49 HA GLN 49 3.361 -1.150 0.309 330 HB2 GLN 49 1HB GLN 49 5.527 -1.137 1.532 331 HB3 GLN 49 2HB GLN 49 5.104 0.388 2.286 332 HG2 GLN 49 1HG GLN 49 2.879 -1.314 2.766 333 HG3 GLN 49 2HG GLN 49 4.287 -2.324 3.025 334 HE21 GLN 49 1HE2 GLN 49 2.293 -1.175 4.876 335 HE22 GLN 49 2HE2 GLN 49 3.176 -0.306 6.086 336 H GLY 50 H GLY 50 1.315 -0.925 1.229 337 HA2 GLY 50 1HA GLY 50 0.505 1.844 1.892 338 HA3 GLY 50 2HA GLY 50 -0.509 0.708 1.024 339 H SER 51 H SER 51 -0.210 2.119 3.957 340 HA SER 51 HA SER 51 -1.144 -0.290 5.312 341 HB2 SER 51 1HB SER 51 -0.322 1.150 7.421 342 HB3 SER 51 2HB SER 51 0.765 0.087 6.550 343 HG SER 51 HG SER 51 1.399 2.463 6.996 344 H VAL 52 H VAL 52 -3.208 -0.144 6.158 345 HA VAL 52 HA VAL 52 -4.337 2.564 6.357 346 HB VAL 52 HB VAL 52 -5.265 0.117 5.007 347 HG11 VAL 52 1HG1 VAL 52 -6.799 0.088 6.910 348 HG12 VAL 52 2HG1 VAL 52 -7.208 1.797 6.628 349 HG13 VAL 52 3HG1 VAL 52 -7.655 0.565 5.424 350 HG21 VAL 52 1HG2 VAL 52 -4.693 2.373 3.966 351 HG22 VAL 52 2HG2 VAL 52 -6.248 1.650 3.489 352 HG23 VAL 52 3HG2 VAL 52 -6.210 2.974 4.678 353 H ALA 53 H ALA 53 -5.098 3.135 8.340 354 HA ALA 53 HA ALA 53 -5.350 0.955 10.297 355 HB1 ALA 53 1HB ALA 53 -4.928 2.938 11.927 356 HB2 ALA 53 2HB ALA 53 -3.548 2.297 11.003 357 HB3 ALA 53 3HB ALA 53 -4.343 3.803 10.485 358 H ASN 54 H ASN 54 -7.431 0.493 10.784 359 HA ASN 54 HA ASN 54 -9.321 2.694 10.522 360 HB2 ASN 54 1HB ASN 54 -10.905 0.450 10.678 361 HB3 ASN 54 2HB ASN 54 -10.334 1.123 9.164 362 HD21 ASN 54 1HD2 ASN 54 -10.020 -0.620 7.956 363 HD22 ASN 54 2HD2 ASN 54 -8.955 -1.938 8.317 364 H ARG 55 H ARG 55 -11.446 1.863 12.045 365 HA ARG 55 HA ARG 55 -10.353 1.992 14.665 366 HB2 ARG 55 1HB ARG 55 -12.859 2.634 13.366 367 HB3 ARG 55 2HB ARG 55 -13.211 1.566 14.710 368 HG2 ARG 55 1HG ARG 55 -11.946 3.050 16.253 369 HG3 ARG 55 2HG ARG 55 -11.515 4.099 14.917 370 HD2 ARG 55 1HD ARG 55 -13.392 5.183 15.895 371 HD3 ARG 55 2HD ARG 55 -14.072 4.361 14.505 372 HE ARG 55 HE ARG 55 -14.279 2.497 16.574 373 HH11 ARG 55 2HH2 ARG 55 -15.393 5.794 16.059 374 HH12 ARG 55 1HH2 ARG 55 -16.795 5.613 17.059 375 HH21 ARG 55 2HH1 ARG 55 -16.128 2.256 17.894 376 HH22 ARG 55 1HH1 ARG 55 -17.216 3.586 18.110 377 H THR 56 H THR 56 -10.574 -0.532 12.619 378 HA THR 56 HA THR 56 -11.578 -2.408 14.656 379 HB THR 56 HB THR 56 -12.056 -3.884 12.728 380 HG1 THR 56 1HG THR 56 -11.161 -1.618 11.122 381 HG21 THR 56 1HG2 THR 56 -13.044 -1.036 12.664 382 HG22 THR 56 2HG2 THR 56 -13.337 -2.032 11.219 383 HG23 THR 56 3HG2 THR 56 -13.974 -2.548 12.799 384 H GLY 57 H GLY 57 -8.788 -1.253 12.915 385 HA2 GLY 57 1HA GLY 57 -6.911 -2.467 14.453 386 HA3 GLY 57 2HA GLY 57 -7.252 -3.669 13.225 387 H SER 58 H SER 58 -5.863 -3.599 11.521 388 HA SER 58 HA SER 58 -5.448 -1.167 10.162 389 HB2 SER 58 1HB SER 58 -2.968 -1.078 10.426 390 HB3 SER 58 2HB SER 58 -3.811 -0.758 11.929 391 HG SER 58 HG SER 58 -2.038 -2.787 11.314 392 H VAL 59 H VAL 59 -4.658 -1.567 8.024 393 HA VAL 59 HA VAL 59 -4.068 -4.393 7.470 394 HB VAL 59 HB VAL 59 -5.161 -3.635 5.170 395 HG11 VAL 59 1HG1 VAL 59 -6.458 -5.344 5.772 396 HG12 VAL 59 2HG1 VAL 59 -6.001 -5.114 7.477 397 HG13 VAL 59 3HG1 VAL 59 -7.408 -4.252 6.808 398 HG21 VAL 59 1HG2 VAL 59 -6.933 -2.114 7.075 399 HG22 VAL 59 2HG2 VAL 59 -5.565 -1.308 6.270 400 HG23 VAL 59 3HG2 VAL 59 -6.861 -2.047 5.298 401 H GLU 60 H GLU 60 -2.678 -4.741 5.556 402 HA GLU 60 HA GLU 60 -1.243 -2.367 4.736 403 HB2 GLU 60 1HB GLU 60 0.045 -4.814 6.012 404 HB3 GLU 60 2HB GLU 60 0.952 -3.649 5.067 405 HG2 GLU 60 1HG GLU 60 0.171 -1.821 6.614 406 HG3 GLU 60 2HG GLU 60 -0.675 -3.017 7.576 407 H ALA 61 H ALA 61 0.011 -2.702 2.718 408 HA ALA 61 HA ALA 61 -0.214 -5.206 1.369 409 HB1 ALA 61 1HB ALA 61 -2.102 -2.935 0.758 410 HB2 ALA 61 2HB ALA 61 -1.528 -3.984 -0.561 411 HB3 ALA 61 3HB ALA 61 -2.418 -4.686 0.812 412 H GLN 62 H GLN 62 1.224 -5.300 -0.406 413 HA GLN 62 HA GLN 62 2.542 -2.798 -1.053 414 HB2 GLN 62 1HB GLN 62 4.018 -5.365 -0.318 415 HB3 GLN 62 2HB GLN 62 4.773 -3.893 -0.897 416 HG2 GLN 62 1HG GLN 62 4.593 -2.847 1.135 417 HG3 GLN 62 2HG GLN 62 2.965 -3.437 1.406 418 HE21 GLN 62 1HE2 GLN 62 2.784 -4.645 3.117 419 HE22 GLN 62 2HE2 GLN 62 3.939 -5.774 3.742 420 H THR 63 H THR 63 4.187 -3.291 -3.007 421 HA THR 63 HA THR 63 2.717 -5.051 -4.858 422 HB THR 63 HB THR 63 3.597 -3.431 -6.601 423 HG1 THR 63 1HG THR 63 5.413 -2.653 -5.358 424 HG21 THR 63 1HG2 THR 63 1.498 -2.958 -4.749 425 HG22 THR 63 2HG2 THR 63 2.440 -1.448 -4.772 426 HG23 THR 63 3HG2 THR 63 1.764 -2.098 -6.285 427 H ALA 64 H ALA 64 4.228 -5.704 -6.799 428 HA ALA 64 HA ALA 64 6.164 -7.398 -5.686 429 HB1 ALA 64 1HB ALA 64 6.676 -7.893 -8.067 430 HB2 ALA 64 2HB ALA 64 4.926 -7.901 -7.744 431 HB3 ALA 64 3HB ALA 64 5.674 -6.505 -8.556 432 H LEU 65 H LEU 65 8.394 -7.241 -5.491 433 HA LEU 65 HA LEU 65 9.472 -4.659 -5.317 434 HB2 LEU 65 1HB LEU 65 10.584 -7.442 -5.181 435 HB3 LEU 65 2HB LEU 65 11.656 -6.056 -5.172 436 HG LEU 65 HG LEU 65 9.777 -5.406 -3.233 437 HD11 LEU 65 1HD1 LEU 65 9.035 -7.863 -3.523 438 HD12 LEU 65 2HD1 LEU 65 10.542 -8.260 -2.663 439 HD13 LEU 65 3HD1 LEU 65 9.313 -7.239 -1.879 440 HD21 LEU 65 1HD2 LEU 65 11.619 -5.890 -1.639 441 HD22 LEU 65 2HD2 LEU 65 12.510 -6.682 -2.960 442 HD23 LEU 65 3HD2 LEU 65 12.132 -4.945 -3.057 443 H LYS 66 H LYS 66 10.585 -3.387 -6.747 444 HA LYS 66 HA LYS 66 11.248 -4.620 -9.324 445 HB2 LYS 66 1HB LYS 66 9.800 -2.003 -8.846 446 HB3 LYS 66 2HB LYS 66 10.548 -2.426 -10.373 447 HG2 LYS 66 1HG LYS 66 9.049 -4.718 -9.706 448 HG3 LYS 66 2HG LYS 66 8.023 -3.390 -9.201 449 HD2 LYS 66 1HD LYS 66 8.630 -2.359 -11.565 450 HD3 LYS 66 2HD LYS 66 9.094 -3.999 -11.972 451 HE2 LYS 66 1HE LYS 66 6.359 -2.907 -11.312 452 HE3 LYS 66 2HE LYS 66 6.833 -3.986 -12.609 453 HZ1 LYS 66 1HZ LYS 66 7.400 -5.498 -10.556 454 HZ2 LYS 66 2HZ LYS 66 6.222 -4.606 -9.859 455 HZ3 LYS 66 3HZ LYS 66 5.906 -5.460 -11.215 456 H LYS 67 H LYS 67 13.060 -3.619 -10.441 457 HA LYS 67 HA LYS 67 15.081 -2.841 -8.615 458 HB2 LYS 67 1HB LYS 67 16.493 -3.325 -10.303 459 HB3 LYS 67 2HB LYS 67 15.081 -4.090 -11.004 460 HG2 LYS 67 1HG LYS 67 15.847 -1.179 -11.522 461 HG3 LYS 67 2HG LYS 67 16.332 -2.504 -12.563 462 HD2 LYS 67 1HD LYS 67 13.405 -2.059 -11.862 463 HD3 LYS 67 2HD LYS 67 14.161 -1.174 -13.173 464 HE2 LYS 67 1HE LYS 67 14.963 -3.832 -13.634 465 HE3 LYS 67 2HE LYS 67 13.312 -3.998 -13.070 466 HZ1 LYS 67 1HZ LYS 67 13.964 -2.000 -15.094 467 HZ2 LYS 67 2HZ LYS 67 13.736 -3.559 -15.524 468 HZ3 LYS 67 3HZ LYS 67 12.532 -2.729 -14.798 469 H ARG 68 H ARG 68 16.029 -0.828 -8.240 470 HA ARG 68 HA ARG 68 14.383 1.329 -8.317 471 HB2 ARG 68 1HB ARG 68 16.406 2.667 -7.768 472 HB3 ARG 68 2HB ARG 68 16.405 1.156 -6.880 473 HG2 ARG 68 1HG ARG 68 17.708 0.575 -9.342 474 HG3 ARG 68 2HG ARG 68 18.336 2.134 -8.846 475 HD2 ARG 68 1HD ARG 68 19.698 1.061 -7.381 476 HD3 ARG 68 2HD ARG 68 18.280 0.593 -6.464 477 HE ARG 68 HE ARG 68 18.591 -1.581 -7.233 478 HH11 ARG 68 2HH2 ARG 68 20.026 0.633 -9.561 479 HH12 ARG 68 1HH2 ARG 68 20.634 -0.630 -10.580 480 HH21 ARG 68 2HH1 ARG 68 19.392 -3.248 -8.576 481 HH22 ARG 68 1HH1 ARG 68 20.271 -2.852 -10.016 482 H GLN 69 H GLN 69 13.930 2.967 -9.815 483 HA GLN 69 HA GLN 69 15.667 3.187 -12.106 484 HB2 GLN 69 1HB GLN 69 12.821 2.220 -12.192 485 HB3 GLN 69 2HB GLN 69 13.345 3.299 -13.469 486 HG2 GLN 69 1HG GLN 69 14.759 0.707 -12.680 487 HG3 GLN 69 2HG GLN 69 13.687 0.887 -14.055 488 HE21 GLN 69 1HE2 GLN 69 16.684 0.386 -13.542 489 HE22 GLN 69 2HE2 GLN 69 17.497 1.423 -14.666 490 H LEU 70 H LEU 70 15.219 5.216 -13.375 491 HA LEU 70 HA LEU 70 14.916 7.391 -11.694 492 HB2 LEU 70 1HB LEU 70 16.041 7.197 -13.970 493 HB3 LEU 70 2HB LEU 70 14.449 7.410 -14.671 494 HG LEU 70 HG LEU 70 15.463 9.425 -12.687 495 HD11 LEU 70 1HD1 LEU 70 16.510 10.710 -14.492 496 HD12 LEU 70 2HD1 LEU 70 17.318 9.144 -14.245 497 HD13 LEU 70 3HD1 LEU 70 16.215 9.368 -15.623 498 HD21 LEU 70 1HD2 LEU 70 14.034 10.350 -15.061 499 HD22 LEU 70 2HD2 LEU 70 13.112 9.154 -14.118 500 HD23 LEU 70 3HD2 LEU 70 13.708 10.637 -13.335 501 H HIS 71 H HIS 71 12.538 5.285 -13.106 502 HA HIS 71 HA HIS 71 10.475 6.698 -11.774 503 HB2 HIS 71 1HB HIS 71 10.710 8.084 -13.821 504 HB3 HIS 71 2HB HIS 71 10.380 6.671 -14.804 505 HD1 HIS 71 1HD HIS 71 8.166 7.473 -15.796 506 HD2 HIS 71 2HD HIS 71 8.216 7.523 -11.601 507 HE1 HIS 71 1HE HIS 71 5.765 7.921 -15.057 508 H THR 72 H THR 72 10.489 4.576 -10.754 509 HA THR 72 HA THR 72 9.957 2.258 -12.346 510 HB THR 72 HB THR 72 9.814 2.778 -9.328 511 HG1 THR 72 1HG THR 72 11.949 3.096 -10.026 512 HG21 THR 72 1HG2 THR 72 8.746 0.620 -9.916 513 HG22 THR 72 2HG2 THR 72 10.113 0.215 -10.982 514 HG23 THR 72 3HG2 THR 72 10.356 0.314 -9.222 515 H THR 73 H THR 73 8.045 0.955 -12.343 516 HA THR 73 HA THR 73 5.622 2.273 -11.403 517 HB THR 73 HB THR 73 4.620 1.924 -13.731 518 HG1 THR 73 1HG THR 73 6.450 1.726 -15.358 519 HG21 THR 73 1HG2 THR 73 7.106 3.658 -13.987 520 HG22 THR 73 2HG2 THR 73 5.482 3.939 -14.660 521 HG23 THR 73 3HG2 THR 73 5.774 4.161 -12.918 522 H TRP 74 H TRP 74 3.757 0.838 -11.330 523 HA TRP 74 HA TRP 74 4.576 -1.986 -11.381 524 HB2 TRP 74 1HB TRP 74 2.970 -0.534 -9.275 525 HB3 TRP 74 2HB TRP 74 3.034 -2.279 -9.417 526 HD1 TRP 74 HD TRP 74 5.295 -3.485 -8.563 527 HE1 TRP 74 1HE TRP 74 7.405 -2.749 -7.161 528 HE3 TRP 74 3HE TRP 74 4.461 1.517 -8.949 529 HZ2 TRP 74 2HZ TRP 74 8.466 -0.215 -6.388 530 HZ3 TRP 74 3HZ TRP 74 6.082 3.053 -7.841 531 HH2 TRP 74 HH TRP 74 8.029 2.261 -6.595 532 H GLU 75 H GLU 75 2.574 -3.451 -11.562 533 HA GLU 75 HA GLU 75 0.876 -2.271 -13.562 534 HB2 GLU 75 1HB GLU 75 1.819 -4.971 -12.864 535 HB3 GLU 75 2HB GLU 75 0.103 -4.948 -13.221 536 HG2 GLU 75 1HG GLU 75 0.498 -3.903 -15.400 537 HG3 GLU 75 2HG GLU 75 2.194 -3.658 -15.032 538 H GLU 76 H GLU 76 0.637 -3.918 -10.352 539 HA GLU 76 HA GLU 76 -2.173 -3.190 -10.306 540 HB2 GLU 76 1HB GLU 76 -2.387 -4.786 -8.465 541 HB3 GLU 76 2HB GLU 76 -1.570 -5.557 -9.809 542 HG2 GLU 76 1HG GLU 76 0.626 -5.207 -8.738 543 HG3 GLU 76 2HG GLU 76 -0.115 -4.291 -7.441 544 H GLY 77 H GLY 77 -2.931 -2.610 -7.889 545 HA2 GLY 77 1HA GLY 77 -1.049 -0.546 -6.910 546 HA3 GLY 77 2HA GLY 77 -2.792 -0.375 -6.940 547 H LEU 78 H LEU 78 -2.303 0.118 -4.548 548 HA LEU 78 HA LEU 78 -2.071 -2.391 -3.044 549 HB2 LEU 78 1HB LEU 78 -1.641 0.430 -2.057 550 HB3 LEU 78 2HB LEU 78 -1.340 -1.057 -1.179 551 HG LEU 78 HG LEU 78 0.130 -0.286 -3.712 552 HD11 LEU 78 1HD1 LEU 78 0.351 1.209 -1.535 553 HD12 LEU 78 2HD1 LEU 78 1.435 -0.109 -1.033 554 HD13 LEU 78 3HD1 LEU 78 1.762 0.789 -2.534 555 HD21 LEU 78 1HD2 LEU 78 1.753 -1.989 -2.975 556 HD22 LEU 78 2HD2 LEU 78 0.685 -2.399 -1.612 557 HD23 LEU 78 3HD2 LEU 78 0.139 -2.673 -3.284 558 H VAL 79 H VAL 79 -3.962 -3.229 -2.366 559 HA VAL 79 HA VAL 79 -6.137 -1.320 -1.855 560 HB VAL 79 HB VAL 79 -7.105 -2.524 -3.470 561 HG11 VAL 79 1HG1 VAL 79 -6.401 -4.749 -4.227 562 HG12 VAL 79 2HG1 VAL 79 -5.012 -3.643 -4.106 563 HG13 VAL 79 3HG1 VAL 79 -5.282 -4.873 -2.848 564 HG21 VAL 79 1HG2 VAL 79 -8.045 -3.302 -1.136 565 HG22 VAL 79 2HG2 VAL 79 -8.582 -4.092 -2.638 566 HG23 VAL 79 3HG2 VAL 79 -7.352 -4.871 -1.613 567 H LEU 80 H LEU 80 -7.143 -1.353 0.141 568 HA LEU 80 HA LEU 80 -6.350 -3.500 1.962 569 HB2 LEU 80 1HB LEU 80 -6.397 -0.631 2.853 570 HB3 LEU 80 2HB LEU 80 -5.748 -2.030 3.685 571 HG LEU 80 HG LEU 80 -4.394 -1.671 1.152 572 HD11 LEU 80 1HD1 LEU 80 -5.234 0.762 2.036 573 HD12 LEU 80 2HD1 LEU 80 -3.664 0.618 2.863 574 HD13 LEU 80 3HD1 LEU 80 -3.753 0.480 1.090 575 HD21 LEU 80 1HD2 LEU 80 -3.232 -1.324 3.915 576 HD22 LEU 80 2HD2 LEU 80 -3.687 -2.919 3.268 577 HD23 LEU 80 3HD2 LEU 80 -2.451 -1.942 2.439 578 HA PRO 81 HA PRO 81 -10.587 -3.417 2.803 579 HB2 PRO 81 1HB PRO 81 -10.656 -4.929 5.078 580 HB3 PRO 81 2HB PRO 81 -10.562 -5.620 3.471 581 HG2 PRO 81 1HG PRO 81 -8.435 -5.372 5.509 582 HG3 PRO 81 2HG PRO 81 -8.489 -6.413 4.100 583 HD2 PRO 81 1HD PRO 81 -6.984 -3.988 4.386 584 HD3 PRO 81 2HD PRO 81 -7.130 -4.966 2.939 585 H LEU 82 H LEU 82 -11.936 -1.875 3.474 586 HA LEU 82 HA LEU 82 -11.582 -0.935 6.174 587 HB2 LEU 82 1HB LEU 82 -9.966 0.458 5.152 588 HB3 LEU 82 2HB LEU 82 -11.005 0.801 3.783 589 HG LEU 82 HG LEU 82 -12.580 1.939 5.469 590 HD11 LEU 82 1HD1 LEU 82 -10.094 1.660 7.170 591 HD12 LEU 82 2HD1 LEU 82 -11.374 2.859 7.477 592 HD13 LEU 82 3HD1 LEU 82 -11.749 1.120 7.541 593 HD21 LEU 82 1HD2 LEU 82 -10.809 3.946 5.587 594 HD22 LEU 82 2HD2 LEU 82 -9.991 2.917 4.387 595 HD23 LEU 82 3HD2 LEU 82 -11.653 3.480 4.091 596 H ALA 83 H ALA 83 -13.425 0.423 6.865 597 HA ALA 83 HA ALA 83 -15.777 -0.234 5.243 598 HB1 ALA 83 1HB ALA 83 -15.134 -0.516 8.010 599 HB2 ALA 83 2HB ALA 83 -16.410 0.719 7.884 600 HB3 ALA 83 3HB ALA 83 -16.668 -0.901 7.192 601 H GLU 84 H GLU 84 -17.146 1.376 4.496 602 HA GLU 84 HA GLU 84 -16.106 3.858 4.074 603 HB2 GLU 84 1HB GLU 84 -18.074 2.704 2.905 604 HB3 GLU 84 2HB GLU 84 -19.083 3.233 4.236 605 HG2 GLU 84 1HG GLU 84 -17.753 5.583 3.551 606 HG3 GLU 84 2HG GLU 84 -17.942 4.806 1.992 607 H GLU 85 H GLU 85 -17.659 2.549 6.931 608 HA GLU 85 HA GLU 85 -18.366 5.115 7.957 609 HB2 GLU 85 1HB GLU 85 -19.352 3.951 9.742 610 HB3 GLU 85 2HB GLU 85 -19.506 2.811 8.420 611 HG2 GLU 85 1HG GLU 85 -17.087 2.010 9.309 612 HG3 GLU 85 2HG GLU 85 -17.662 2.721 10.803 613 H GLU 86 H GLU 86 -15.465 3.418 7.566 614 HA GLU 86 HA GLU 86 -14.341 4.728 9.918 615 HB2 GLU 86 1HB GLU 86 -13.058 2.408 8.433 616 HB3 GLU 86 2HB GLU 86 -12.668 3.008 10.033 617 HG2 GLU 86 1HG GLU 86 -15.321 2.422 10.393 618 HG3 GLU 86 2HG GLU 86 -14.921 1.238 9.164 619 H LEU 87 H LEU 87 -14.842 5.299 6.763 620 HA LEU 87 HA LEU 87 -12.334 5.674 5.631 621 HB2 LEU 87 1HB LEU 87 -15.087 6.706 5.170 622 HB3 LEU 87 2HB LEU 87 -13.763 7.560 4.402 623 HG LEU 87 HG LEU 87 -14.212 4.580 4.107 624 HD11 LEU 87 1HD1 LEU 87 -15.980 6.428 3.200 625 HD12 LEU 87 2HD1 LEU 87 -14.852 6.342 1.825 626 HD13 LEU 87 3HD1 LEU 87 -15.658 4.866 2.409 627 HD21 LEU 87 1HD2 LEU 87 -11.908 5.615 3.691 628 HD22 LEU 87 2HD2 LEU 87 -12.613 4.621 2.393 629 HD23 LEU 87 3HD2 LEU 87 -12.649 6.397 2.274 630 HA PRO 88 HA PRO 88 -12.480 9.982 7.571 631 HB2 PRO 88 1HB PRO 88 -14.367 10.577 9.455 632 HB3 PRO 88 2HB PRO 88 -14.544 10.984 7.760 633 HG2 PRO 88 1HG PRO 88 -15.867 8.834 9.298 634 HG3 PRO 88 2HG PRO 88 -16.328 9.522 7.754 635 HD2 PRO 88 1HD PRO 88 -15.035 6.999 8.191 636 HD3 PRO 88 2HD PRO 88 -15.392 7.740 6.643 637 H THR 89 H THR 89 -12.952 7.135 9.339 638 HA THR 89 HA THR 89 -11.219 8.210 11.464 639 HB THR 89 HB THR 89 -12.356 6.756 12.955 640 HG1 THR 89 1HG THR 89 -12.345 4.754 11.954 641 HG21 THR 89 1HG2 THR 89 -14.000 8.346 11.346 642 HG22 THR 89 2HG2 THR 89 -14.724 6.730 11.167 643 HG23 THR 89 3HG2 THR 89 -14.543 7.449 12.785 644 H ALA 90 H ALA 90 -10.387 7.303 8.735 645 HA ALA 90 HA ALA 90 -8.480 5.315 9.700 646 HB1 ALA 90 1HB ALA 90 -10.209 5.075 7.207 647 HB2 ALA 90 2HB ALA 90 -8.772 4.073 7.526 648 HB3 ALA 90 3HB ALA 90 -10.181 3.980 8.611 649 H THR 91 H THR 91 -6.521 5.220 8.283 650 HA THR 91 HA THR 91 -6.224 7.474 6.468 651 HB THR 91 HB THR 91 -4.162 7.134 8.661 652 HG1 THR 91 1HG THR 91 -6.681 8.644 8.708 653 HG21 THR 91 1HG2 THR 91 -5.347 9.690 7.504 654 HG22 THR 91 2HG2 THR 91 -3.762 9.460 8.279 655 HG23 THR 91 3HG2 THR 91 -4.054 8.821 6.644 656 H LEU 92 H LEU 92 -4.776 7.115 4.826 657 HA LEU 92 HA LEU 92 -3.583 4.436 4.869 658 HB2 LEU 92 1HB LEU 92 -5.228 4.702 3.150 659 HB3 LEU 92 2HB LEU 92 -4.506 6.203 2.605 660 HG LEU 92 HG LEU 92 -4.104 3.796 1.436 661 HD11 LEU 92 1HD1 LEU 92 -1.885 4.929 0.590 662 HD12 LEU 92 2HD1 LEU 92 -3.477 5.619 0.194 663 HD13 LEU 92 3HD1 LEU 92 -2.503 6.324 1.507 664 HD21 LEU 92 1HD2 LEU 92 -2.872 3.097 3.581 665 HD22 LEU 92 2HD2 LEU 92 -2.089 2.769 2.017 666 HD23 LEU 92 3HD2 LEU 92 -1.557 4.150 3.007 667 H THR 93 H THR 93 -1.476 4.446 5.432 668 HA THR 93 HA THR 93 0.116 6.777 4.594 669 HB THR 93 HB THR 93 0.182 4.894 6.987 670 HG1 THR 93 1HG THR 93 -0.762 6.818 7.581 671 HG21 THR 93 1HG2 THR 93 2.477 6.197 5.629 672 HG22 THR 93 2HG2 THR 93 2.269 6.727 7.316 673 HG23 THR 93 3HG2 THR 93 2.479 4.999 6.946 674 H LEU 94 H LEU 94 1.180 6.423 2.749 675 HA LEU 94 HA LEU 94 1.868 3.734 2.008 676 HB2 LEU 94 1HB LEU 94 2.475 6.366 0.655 677 HB3 LEU 94 2HB LEU 94 2.688 4.771 -0.039 678 HG LEU 94 HG LEU 94 -0.015 5.753 0.886 679 HD11 LEU 94 1HD1 LEU 94 -0.449 6.343 -1.505 680 HD12 LEU 94 2HD1 LEU 94 0.705 7.415 -0.676 681 HD13 LEU 94 3HD1 LEU 94 1.297 6.177 -1.810 682 HD21 LEU 94 1HD2 LEU 94 0.999 3.452 -0.748 683 HD22 LEU 94 2HD2 LEU 94 -0.206 3.482 0.562 684 HD23 LEU 94 3HD2 LEU 94 -0.631 4.102 -1.052 685 H THR 95 H THR 95 3.963 2.852 1.825 686 HA THR 95 HA THR 95 6.147 4.485 2.887 687 HB THR 95 HB THR 95 6.343 1.825 3.984 688 HG1 THR 95 1HG THR 95 3.896 3.313 4.594 689 HG21 THR 95 1HG2 THR 95 7.262 3.715 5.208 690 HG22 THR 95 2HG2 THR 95 5.702 4.571 5.168 691 HG23 THR 95 3HG2 THR 95 5.891 3.113 6.171 692 H LEU 96 H LEU 96 8.108 4.129 1.940 693 HA LEU 96 HA LEU 96 8.106 2.014 -0.099 694 HB2 LEU 96 1HB LEU 96 8.521 4.817 -0.310 695 HB3 LEU 96 2HB LEU 96 10.060 4.035 -0.612 696 HG LEU 96 HG LEU 96 7.532 3.184 -2.032 697 HD11 LEU 96 1HD1 LEU 96 8.236 4.613 -3.921 698 HD12 LEU 96 2HD1 LEU 96 7.782 5.550 -2.477 699 HD13 LEU 96 3HD1 LEU 96 9.499 5.324 -2.889 700 HD21 LEU 96 1HD2 LEU 96 10.397 2.942 -2.957 701 HD22 LEU 96 2HD2 LEU 96 9.594 1.699 -1.968 702 HD23 LEU 96 3HD2 LEU 96 8.952 2.109 -3.577 703 H ARG 97 H ARG 97 9.060 0.313 0.978 704 HA ARG 97 HA ARG 97 11.451 0.935 2.476 705 HB2 ARG 97 1HB ARG 97 9.654 -1.521 2.303 706 HB3 ARG 97 2HB ARG 97 11.219 -1.600 3.088 707 HG2 ARG 97 1HG ARG 97 10.308 -0.733 4.972 708 HG3 ARG 97 2HG ARG 97 9.945 0.747 4.107 709 HD2 ARG 97 1HD ARG 97 7.734 0.067 3.588 710 HD3 ARG 97 2HD ARG 97 8.102 -1.636 3.778 711 HE ARG 97 HE ARG 97 7.392 0.245 5.909 712 HH11 ARG 97 2HH2 ARG 97 8.973 -2.811 5.175 713 HH12 ARG 97 1HH2 ARG 97 8.780 -3.442 6.776 714 HH21 ARG 97 2HH1 ARG 97 7.137 -0.586 8.022 715 HH22 ARG 97 1HH1 ARG 97 7.728 -2.168 8.406 716 H THR 98 H THR 98 13.382 -0.588 2.189 717 HA THR 98 HA THR 98 13.594 -1.380 -0.641 718 HB THR 98 HB THR 98 16.140 -0.992 -0.017 719 HG1 THR 98 1HG THR 98 16.162 0.635 1.770 720 HG21 THR 98 1HG2 THR 98 14.347 0.640 -1.276 721 HG22 THR 98 2HG2 THR 98 14.659 1.616 0.180 722 HG23 THR 98 3HG2 THR 98 16.005 1.160 -0.892 723 H CYS 99 H CYS 99 14.155 -3.428 -1.173 724 HA CYS 99 HA CYS 99 13.682 -5.495 0.439 725 HB2 CYS 99 1HB CYS 99 14.011 -5.939 -1.855 726 HB3 CYS 99 2HB CYS 99 15.620 -5.245 -1.863 727 HG CYS 99 HG CYS 99 14.510 -8.151 -1.088 728 H ASP 100 H ASP 100 14.896 -6.838 1.902 729 HA ASP 100 HA ASP 100 16.513 -5.593 3.643 730 HB2 ASP 100 1HB ASP 100 16.010 -8.436 2.871 731 HB3 ASP 100 2HB ASP 100 17.479 -8.173 3.788 732 H ARG 101 H ARG 101 18.828 -5.374 3.905 733 HA ARG 101 HA ARG 101 20.541 -6.594 1.997 734 HB2 ARG 101 1HB ARG 101 19.792 -4.612 0.701 735 HB3 ARG 101 2HB ARG 101 20.216 -3.551 2.031 736 HG2 ARG 101 1HG ARG 101 22.244 -3.341 1.017 737 HG3 ARG 101 2HG ARG 101 22.591 -4.941 1.642 738 HD2 ARG 101 1HD ARG 101 22.354 -5.953 -0.420 739 HD3 ARG 101 2HD ARG 101 21.017 -4.923 -0.893 740 HE ARG 101 HE ARG 101 22.536 -3.393 -1.835 741 HH11 ARG 101 2HH2 ARG 101 24.271 -5.714 0.161 742 HH12 ARG 101 1HH2 ARG 101 25.835 -5.203 -0.381 743 HH21 ARG 101 2HH1 ARG 101 24.599 -2.719 -2.550 744 HH22 ARG 101 1HH1 ARG 101 26.023 -3.488 -1.933 745 H PHE 102 H PHE 102 20.120 -3.976 4.472 746 HA PHE 102 HA PHE 102 22.289 -5.142 5.988 747 HB2 PHE 102 1HB PHE 102 22.161 -2.248 4.946 748 HB3 PHE 102 2HB PHE 102 23.296 -2.773 6.173 749 HD1 PHE 102 1HD PHE 102 24.361 -5.258 5.233 750 HD2 PHE 102 2HD PHE 102 23.283 -1.826 2.982 751 HE1 PHE 102 1HE PHE 102 25.991 -5.920 3.443 752 HE2 PHE 102 2HE PHE 102 24.913 -2.488 1.192 753 HZ PHE 102 HZ PHE 102 26.248 -4.527 1.443 754 H SER 103 H SER 103 19.309 -4.819 6.204 755 HA SER 103 HA SER 103 17.786 -4.203 7.630 756 HB2 SER 103 1HB SER 103 20.119 -4.087 9.594 757 HB3 SER 103 2HB SER 103 18.429 -4.174 10.046 758 HG SER 103 HG SER 103 19.890 -6.244 9.815 759 H ARG 104 H ARG 104 17.808 -2.110 6.248 760 HA ARG 104 HA ARG 104 19.038 0.144 7.396 761 HB2 ARG 104 1HB ARG 104 16.968 -0.269 5.201 762 HB3 ARG 104 2HB ARG 104 17.413 1.347 5.712 763 HG2 ARG 104 1HG ARG 104 19.139 1.198 4.238 764 HG3 ARG 104 2HG ARG 104 19.900 0.120 5.392 765 HD2 ARG 104 1HD ARG 104 19.790 -1.539 3.846 766 HD3 ARG 104 2HD ARG 104 18.043 -1.508 3.983 767 HE ARG 104 HE ARG 104 17.907 -0.261 1.984 768 HH11 ARG 104 2HH2 ARG 104 21.248 -0.446 3.072 769 HH12 ARG 104 1HH2 ARG 104 21.898 0.190 1.598 770 HH21 ARG 104 2HH1 ARG 104 18.763 0.578 0.038 771 HH22 ARG 104 1HH1 ARG 104 20.475 0.776 -0.140 772 H HIS 105 H HIS 105 18.007 1.944 8.501 773 HA HIS 105 HA HIS 105 15.704 1.100 10.020 774 HB2 HIS 105 1HB HIS 105 17.530 3.509 10.219 775 HB3 HIS 105 2HB HIS 105 16.161 3.233 11.278 776 HD1 HIS 105 1HD HIS 105 17.387 2.789 13.454 777 HD2 HIS 105 2HD HIS 105 18.759 0.397 10.293 778 HE1 HIS 105 1HE HIS 105 18.981 1.085 14.487 779 H SER 106 H SER 106 13.784 2.500 10.273 780 HA SER 106 HA SER 106 12.059 3.487 9.390 781 HB2 SER 106 1HB SER 106 12.763 5.673 7.974 782 HB3 SER 106 2HB SER 106 12.847 5.620 9.724 783 HG SER 106 HG SER 106 14.983 5.332 7.814 784 H VAL 107 H VAL 107 11.208 4.597 7.085 785 HA VAL 107 HA VAL 107 11.773 2.503 5.137 786 HB VAL 107 HB VAL 107 9.698 3.092 4.150 787 HG11 VAL 107 1HG1 VAL 107 9.931 2.307 6.858 788 HG12 VAL 107 2HG1 VAL 107 8.564 3.444 6.779 789 HG13 VAL 107 3HG1 VAL 107 8.580 1.998 5.740 790 HG21 VAL 107 1HG2 VAL 107 9.180 5.350 6.057 791 HG22 VAL 107 2HG2 VAL 107 10.179 5.644 4.614 792 HG23 VAL 107 3HG2 VAL 107 8.511 5.049 4.435 793 H ALA 108 H ALA 108 11.815 3.231 2.767 794 HA ALA 108 HA ALA 108 13.920 5.084 2.474 795 HB1 ALA 108 1HB ALA 108 12.133 4.182 0.216 796 HB2 ALA 108 2HB ALA 108 13.898 4.413 0.237 797 HB3 ALA 108 3HB ALA 108 13.175 3.004 1.049 798 H GLY 109 H GLY 109 10.451 5.378 2.703 799 HA2 GLY 109 1HA GLY 109 10.491 8.171 2.749 800 HA3 GLY 109 2HA GLY 109 10.052 7.679 1.125 801 H GLU 110 H GLU 110 8.442 8.995 3.341 802 HA GLU 110 HA GLU 110 6.366 6.947 3.477 803 HB2 GLU 110 1HB GLU 110 7.430 8.830 5.533 804 HB3 GLU 110 2HB GLU 110 5.685 8.678 5.494 805 HG2 GLU 110 1HG GLU 110 5.736 6.565 6.356 806 HG3 GLU 110 2HG GLU 110 7.011 6.057 5.267 807 H LEU 111 H LEU 111 4.250 7.547 2.872 808 HA LEU 111 HA LEU 111 3.858 10.345 2.138 809 HB2 LEU 111 1HB LEU 111 4.609 8.675 0.219 810 HB3 LEU 111 2HB LEU 111 2.910 8.247 0.244 811 HG LEU 111 HG LEU 111 2.723 9.889 -1.275 812 HD11 LEU 111 1HD1 LEU 111 1.903 11.882 -0.409 813 HD12 LEU 111 2HD1 LEU 111 1.720 10.748 0.951 814 HD13 LEU 111 3HD1 LEU 111 3.074 11.904 0.932 815 HD21 LEU 111 1HD2 LEU 111 5.449 10.342 -0.566 816 HD22 LEU 111 2HD2 LEU 111 4.590 10.785 -2.061 817 HD23 LEU 111 3HD2 LEU 111 4.630 11.918 -0.688 818 H ARG 112 H ARG 112 2.287 10.895 3.573 819 HA ARG 112 HA ARG 112 0.376 8.940 4.346 820 HB2 ARG 112 1HB ARG 112 1.439 11.209 5.539 821 HB3 ARG 112 2HB ARG 112 -0.136 11.797 5.044 822 HG2 ARG 112 1HG ARG 112 -1.291 10.108 6.315 823 HG3 ARG 112 2HG ARG 112 0.165 9.157 6.527 824 HD2 ARG 112 1HD ARG 112 -0.412 10.407 8.604 825 HD3 ARG 112 2HD ARG 112 1.148 10.901 7.978 826 HE ARG 112 HE ARG 112 0.269 13.024 7.470 827 HH11 ARG 112 2HH2 ARG 112 -2.349 10.801 8.234 828 HH12 ARG 112 1HH2 ARG 112 -3.556 12.042 8.297 829 HH21 ARG 112 2HH1 ARG 112 -1.322 14.662 7.553 830 HH22 ARG 112 1HH1 ARG 112 -2.967 14.253 7.907 831 H LEU 113 H LEU 113 -2.012 9.259 4.118 832 HA LEU 113 HA LEU 113 -2.886 11.202 2.183 833 HB2 LEU 113 1HB LEU 113 -3.136 8.256 1.562 834 HB3 LEU 113 2HB LEU 113 -3.819 9.577 0.634 835 HG LEU 113 HG LEU 113 -0.848 9.151 1.054 836 HD11 LEU 113 1HD1 LEU 113 -1.622 7.283 -0.199 837 HD12 LEU 113 2HD1 LEU 113 -2.652 8.310 -1.224 838 HD13 LEU 113 3HD1 LEU 113 -0.880 8.418 -1.353 839 HD21 LEU 113 1HD2 LEU 113 -1.897 11.492 0.501 840 HD22 LEU 113 2HD2 LEU 113 -0.443 10.922 -0.353 841 HD23 LEU 113 3HD2 LEU 113 -2.037 10.812 -1.138 842 H GLY 114 H GLY 114 -5.395 10.779 1.800 843 HA2 GLY 114 1HA GLY 114 -6.536 9.875 4.377 844 HA3 GLY 114 2HA GLY 114 -7.022 11.366 3.594 845 H LEU 115 H LEU 115 -8.769 9.117 4.242 846 HA LEU 115 HA LEU 115 -9.398 8.145 1.545 847 HB2 LEU 115 1HB LEU 115 -10.475 6.952 4.075 848 HB3 LEU 115 2HB LEU 115 -10.330 6.233 2.483 849 HG LEU 115 HG LEU 115 -8.683 5.143 3.680 850 HD11 LEU 115 1HD1 LEU 115 -7.881 6.793 1.643 851 HD12 LEU 115 2HD1 LEU 115 -6.726 7.201 2.935 852 HD13 LEU 115 3HD1 LEU 115 -6.893 5.515 2.391 853 HD21 LEU 115 1HD2 LEU 115 -7.540 7.628 4.923 854 HD22 LEU 115 2HD2 LEU 115 -8.966 6.834 5.635 855 HD23 LEU 115 3HD2 LEU 115 -7.439 5.935 5.463 856 H ASP 116 H ASP 116 -10.488 9.975 4.377 857 HA ASP 116 HA ASP 116 -13.170 9.991 3.937 858 HB2 ASP 116 1HB ASP 116 -13.082 12.314 4.998 859 HB3 ASP 116 2HB ASP 116 -12.294 11.041 5.909 860 H GLY 117 H GLY 117 -10.509 11.538 2.177 861 HA2 GLY 117 1HA GLY 117 -10.707 12.274 -0.026 862 HA3 GLY 117 2HA GLY 117 -12.417 12.577 0.209 863 H THR 118 H THR 118 -9.906 13.576 2.560 864 HA THR 118 HA THR 118 -10.626 16.363 1.977 865 HB THR 118 HB THR 118 -11.054 15.429 4.284 866 HG1 THR 118 1HG THR 118 -9.668 17.207 5.254 867 HG21 THR 118 1HG2 THR 118 -8.006 15.390 4.513 868 HG22 THR 118 2HG2 THR 118 -9.193 14.894 5.743 869 HG23 THR 118 3HG2 THR 118 -8.962 13.907 4.280 870 H SER 119 H SER 119 -7.745 14.326 2.824 871 HA SER 119 HA SER 119 -5.978 16.377 2.101 872 HB2 SER 119 1HB SER 119 -5.687 13.408 2.640 873 HB3 SER 119 2HB SER 119 -4.316 14.341 2.075 874 HG SER 119 HG SER 119 -4.588 14.139 4.475 875 H VAL 120 H VAL 120 -6.836 13.207 0.522 876 HA VAL 120 HA VAL 120 -6.288 14.487 -2.053 877 HB VAL 120 HB VAL 120 -5.341 12.175 -2.700 878 HG11 VAL 120 1HG1 VAL 120 -3.222 13.040 -2.540 879 HG12 VAL 120 2HG1 VAL 120 -4.168 14.514 -2.225 880 HG13 VAL 120 3HG1 VAL 120 -3.456 13.607 -0.869 881 HG21 VAL 120 1HG2 VAL 120 -5.773 10.811 -0.846 882 HG22 VAL 120 2HG2 VAL 120 -4.042 11.196 -0.688 883 HG23 VAL 120 3HG2 VAL 120 -5.239 12.051 0.314 884 HA PRO 121 HA PRO 121 -10.131 12.690 -2.926 885 HB2 PRO 121 1HB PRO 121 -10.228 13.124 -5.622 886 HB3 PRO 121 2HB PRO 121 -10.635 14.351 -4.439 887 HG2 PRO 121 1HG PRO 121 -8.197 14.106 -6.093 888 HG3 PRO 121 2HG PRO 121 -8.808 15.510 -5.240 889 HD2 PRO 121 1HD PRO 121 -6.631 13.826 -4.433 890 HD3 PRO 121 2HD PRO 121 -7.318 15.158 -3.525 891 H LEU 122 H LEU 122 -11.276 11.036 -4.326 892 HA LEU 122 HA LEU 122 -9.367 8.842 -4.579 893 HB2 LEU 122 1HB LEU 122 -12.373 8.930 -4.326 894 HB3 LEU 122 2HB LEU 122 -11.474 7.465 -4.665 895 HG LEU 122 HG LEU 122 -10.855 9.133 -2.231 896 HD11 LEU 122 1HD1 LEU 122 -12.459 6.938 -1.450 897 HD12 LEU 122 2HD1 LEU 122 -12.814 8.676 -1.301 898 HD13 LEU 122 3HD1 LEU 122 -13.332 7.783 -2.751 899 HD21 LEU 122 1HD2 LEU 122 -9.204 7.608 -2.212 900 HD22 LEU 122 2HD2 LEU 122 -10.460 6.532 -1.554 901 HD23 LEU 122 3HD2 LEU 122 -10.075 6.491 -3.291 902 H GLY 123 H GLY 123 -9.641 7.338 -6.464 903 HA2 GLY 123 1HA GLY 123 -9.516 7.043 -8.691 904 HA3 GLY 123 2HA GLY 123 -11.066 7.859 -8.747 905 H ALA 124 H ALA 124 -8.255 9.576 -7.441 906 HA ALA 124 HA ALA 124 -8.025 11.034 -9.981 907 HB1 ALA 124 1HB ALA 124 -9.248 12.028 -7.724 908 HB2 ALA 124 2HB ALA 124 -7.570 12.579 -7.499 909 HB3 ALA 124 3HB ALA 124 -8.462 13.021 -8.975 910 H ALA 125 H ALA 125 -6.090 10.193 -10.704 911 HA ALA 125 HA ALA 125 -4.008 9.373 -9.061 912 HB1 ALA 125 1HB ALA 125 -3.347 10.471 -11.750 913 HB2 ALA 125 2HB ALA 125 -2.986 8.878 -11.043 914 HB3 ALA 125 3HB ALA 125 -4.604 9.211 -11.706 915 H GLN 126 H GLN 126 -2.558 10.472 -7.837 916 HA GLN 126 HA GLN 126 -1.929 13.177 -8.664 917 HB2 GLN 126 1HB GLN 126 -2.021 13.797 -6.137 918 HB3 GLN 126 2HB GLN 126 -3.531 13.709 -7.022 919 HG2 GLN 126 1HG GLN 126 -3.445 11.139 -6.223 920 HG3 GLN 126 2HG GLN 126 -2.419 11.802 -4.966 921 HE21 GLN 126 1HE2 GLN 126 -5.371 10.814 -5.414 922 HE22 GLN 126 2HE2 GLN 126 -6.315 11.924 -4.478 923 H TRP 127 H TRP 127 0.098 14.008 -7.538 924 HA TRP 127 HA TRP 127 1.886 11.730 -7.062 925 HB2 TRP 127 1HB TRP 127 2.297 14.470 -8.220 926 HB3 TRP 127 2HB TRP 127 3.640 13.586 -7.524 927 HD1 TRP 127 HD TRP 127 1.245 13.461 -10.537 928 HE1 TRP 127 1HE TRP 127 2.131 11.815 -12.399 929 HE3 TRP 127 3HE TRP 127 5.054 11.543 -7.769 930 HZ2 TRP 127 2HZ TRP 127 4.278 9.938 -12.504 931 HZ3 TRP 127 3HZ TRP 127 6.499 9.807 -8.826 932 HH2 TRP 127 HH TRP 127 6.160 9.003 -11.109 933 H GLY 128 H GLY 128 3.447 11.938 -5.282 934 HA2 GLY 128 1HA GLY 128 2.867 14.044 -3.326 935 HA3 GLY 128 2HA GLY 128 2.627 12.377 -2.843 936 H GLU 129 H GLU 129 4.638 14.504 -1.969 937 HA GLU 129 HA GLU 129 7.102 13.330 -2.895 938 HB2 GLU 129 1HB GLU 129 6.269 15.880 -1.689 939 HB3 GLU 129 2HB GLU 129 7.713 15.242 -0.929 940 HG2 GLU 129 1HG GLU 129 9.003 15.560 -2.801 941 HG3 GLU 129 2HG GLU 129 7.740 15.019 -3.889 942 H LEU 130 H LEU 130 8.235 11.795 -1.769 943 HA LEU 130 HA LEU 130 7.110 10.607 0.496 944 HB2 LEU 130 1HB LEU 130 9.860 10.416 -0.735 945 HB3 LEU 130 2HB LEU 130 9.315 9.408 0.591 946 HG LEU 130 HG LEU 130 7.871 9.524 -2.064 947 HD11 LEU 130 1HD1 LEU 130 9.638 8.525 -2.984 948 HD12 LEU 130 2HD1 LEU 130 10.420 8.259 -1.407 949 HD13 LEU 130 3HD1 LEU 130 9.205 7.103 -2.004 950 HD21 LEU 130 1HD2 LEU 130 7.259 7.131 -1.175 951 HD22 LEU 130 2HD2 LEU 130 7.666 7.841 0.406 952 HD23 LEU 130 3HD2 LEU 130 6.386 8.569 -0.594 953 H LYS 131 H LYS 131 7.318 10.966 2.664 954 HA LYS 131 HA LYS 131 8.958 13.265 3.398 955 HB2 LYS 131 1HB LYS 131 6.641 11.872 4.762 956 HB3 LYS 131 2HB LYS 131 7.594 13.126 5.529 957 HG2 LYS 131 1HG LYS 131 6.514 14.764 4.382 958 HG3 LYS 131 2HG LYS 131 6.811 13.975 2.846 959 HD2 LYS 131 1HD LYS 131 4.873 12.317 3.830 960 HD3 LYS 131 2HD LYS 131 4.416 13.802 4.641 961 HE2 LYS 131 1HE LYS 131 4.813 14.811 2.150 962 HE3 LYS 131 2HE LYS 131 4.417 13.163 1.703 963 HZ1 LYS 131 1HZ LYS 131 2.316 13.550 2.180 964 HZ2 LYS 131 2HZ LYS 131 2.654 14.099 3.681 965 HZ3 LYS 131 3HZ LYS 131 2.666 15.128 2.412 966 H THR 132 H THR 132 10.712 11.410 2.818 967 HA THR 132 HA THR 132 11.296 9.290 4.328 968 HB THR 132 HB THR 132 13.697 9.924 3.919 969 HG1 THR 132 1HG THR 132 12.385 12.388 3.018 970 HG21 THR 132 1HG2 THR 132 12.147 11.029 1.554 971 HG22 THR 132 2HG2 THR 132 13.601 10.002 1.553 972 HG23 THR 132 3HG2 THR 132 12.016 9.300 1.955 973 H SER 133 H SER 133 11.702 12.708 5.392 974 HA SER 133 HA SER 133 13.027 12.278 7.697 975 HB2 SER 133 1HB SER 133 11.807 14.426 6.514 976 HB3 SER 133 2HB SER 133 10.741 14.191 7.885 977 HG SER 133 HG SER 133 12.394 14.597 9.315 978 H GLY 134 H GLY 134 9.399 12.585 7.471 979 HA2 GLY 134 1HA GLY 134 7.758 11.758 8.768 980 HA3 GLY 134 2HA GLY 134 8.707 10.285 8.807 981 HA PRO 135 HA PRO 135 8.549 12.075 13.031 982 HB2 PRO 135 1HB PRO 135 7.021 10.174 14.263 983 HB3 PRO 135 2HB PRO 135 6.366 11.677 13.646 984 HG2 PRO 135 1HG PRO 135 6.145 8.956 12.513 985 HG3 PRO 135 2HG PRO 135 5.172 10.371 12.167 986 HD2 PRO 135 1HD PRO 135 7.251 9.275 10.523 987 HD3 PRO 135 2HD PRO 135 6.357 10.755 10.235 988 H SER 136 H SER 136 8.646 8.626 12.287 989 HA SER 136 HA SER 136 11.315 8.504 13.141 990 HB2 SER 136 1HB SER 136 9.463 8.329 15.246 991 HB3 SER 136 2HB SER 136 9.851 6.655 14.901 992 HG SER 136 HG SER 136 11.683 8.787 15.579 993 H SER 137 H SER 137 8.286 6.478 13.053 994 HA SER 137 HA SER 137 9.291 5.086 10.793 995 HB2 SER 137 1HB SER 137 8.962 3.583 13.428 996 HB3 SER 137 2HB SER 137 9.204 2.819 11.870 997 HG SER 137 HG SER 137 11.239 2.958 12.817 998 H GLY 138 H GLY 138 7.473 4.941 9.535 999 HA2 GLY 138 1HA GLY 138 5.364 4.325 8.954 1000 HA3 GLY 138 2HA GLY 138 5.053 3.801 10.597 Start of MODEL 7 1 H1 GLY 1 H GLY 1 21.565 10.306 26.177 2 HA2 GLY 1 1HA GLY 1 19.768 8.768 24.584 3 HA3 GLY 1 2HA GLY 1 19.143 10.380 24.867 4 H SER 2 H SER 2 19.738 9.673 22.267 5 HA SER 2 HA SER 2 21.804 11.561 21.709 6 HB2 SER 2 1HB SER 2 22.150 8.612 21.219 7 HB3 SER 2 2HB SER 2 22.745 9.711 19.991 8 HG SER 2 HG SER 2 23.656 10.806 22.181 9 H SER 3 H SER 3 21.879 12.032 19.275 10 HA SER 3 HA SER 3 19.892 10.920 17.643 11 HB2 SER 3 1HB SER 3 19.323 13.597 18.954 12 HB3 SER 3 2HB SER 3 18.662 13.220 17.375 13 HG SER 3 HG SER 3 17.130 12.600 18.934 14 H GLY 4 H GLY 4 19.660 12.495 15.554 15 HA2 GLY 4 1HA GLY 4 21.689 14.369 15.033 16 HA3 GLY 4 2HA GLY 4 22.235 12.794 14.493 17 H SER 5 H SER 5 21.533 15.195 12.870 18 HA SER 5 HA SER 5 19.960 13.820 10.968 19 HB2 SER 5 1HB SER 5 18.137 15.494 10.797 20 HB3 SER 5 2HB SER 5 18.119 14.679 12.348 21 HG SER 5 HG SER 5 19.194 17.312 11.795 22 H SER 6 H SER 6 20.238 14.747 8.857 23 HA SER 6 HA SER 6 21.962 17.100 8.858 24 HB2 SER 6 1HB SER 6 22.925 16.075 6.694 25 HB3 SER 6 2HB SER 6 23.397 15.328 8.208 26 HG SER 6 HG SER 6 22.465 14.016 6.202 27 H GLY 7 H GLY 7 20.224 15.078 6.377 28 HA2 GLY 7 1HA GLY 7 18.468 15.619 5.037 29 HA3 GLY 7 2HA GLY 7 18.318 17.170 5.838 30 H SER 8 H SER 8 18.209 18.510 4.015 31 HA SER 8 HA SER 8 18.999 19.781 2.438 32 HB2 SER 8 1HB SER 8 21.161 19.619 3.935 33 HB3 SER 8 2HB SER 8 21.778 18.593 2.655 34 HG SER 8 HG SER 8 22.129 20.321 1.446 35 H TRP 9 H TRP 9 18.248 19.267 0.417 36 HA TRP 9 HA TRP 9 19.718 17.436 -1.209 37 HB2 TRP 9 1HB TRP 9 17.875 15.894 -1.656 38 HB3 TRP 9 2HB TRP 9 18.466 15.781 -0.010 39 HD1 TRP 9 HD TRP 9 15.524 17.655 -1.799 40 HE1 TRP 9 1HE TRP 9 13.371 17.648 -0.273 41 HE3 TRP 9 3HE TRP 9 17.673 15.244 2.129 42 HZ2 TRP 9 2HZ TRP 9 12.820 16.657 2.346 43 HZ3 TRP 9 3HZ TRP 9 16.258 14.795 4.131 44 HH2 TRP 9 HH TRP 9 13.911 15.460 4.279 45 H ASN 10 H ASN 10 18.984 17.614 -3.473 46 HA ASN 10 HA ASN 10 17.853 20.195 -3.914 47 HB2 ASN 10 1HB ASN 10 19.535 18.317 -5.358 48 HB3 ASN 10 2HB ASN 10 18.167 18.720 -6.377 49 HD21 ASN 10 1HD2 ASN 10 18.412 20.396 -7.626 50 HD22 ASN 10 2HD2 ASN 10 19.417 21.780 -7.351 51 H GLN 11 H GLN 11 17.259 16.913 -5.405 52 HA GLN 11 HA GLN 11 14.550 17.691 -5.932 53 HB2 GLN 11 1HB GLN 11 16.445 15.656 -6.910 54 HB3 GLN 11 2HB GLN 11 14.834 15.006 -6.679 55 HG2 GLN 11 1HG GLN 11 13.850 16.682 -8.138 56 HG3 GLN 11 2HG GLN 11 15.334 17.613 -8.180 57 HE21 GLN 11 1HE2 GLN 11 17.194 16.736 -9.218 58 HE22 GLN 11 2HE2 GLN 11 17.046 15.596 -10.514 59 H ALA 12 H ALA 12 12.717 16.124 -5.386 60 HA ALA 12 HA ALA 12 13.238 14.885 -2.770 61 HB1 ALA 12 1HB ALA 12 11.843 16.518 -2.033 62 HB2 ALA 12 2HB ALA 12 11.239 16.875 -3.669 63 HB3 ALA 12 3HB ALA 12 10.563 15.510 -2.748 64 HA PRO 13 HA PRO 13 11.548 11.311 -4.521 65 HB2 PRO 13 1HB PRO 13 10.621 9.986 -2.318 66 HB3 PRO 13 2HB PRO 13 12.310 10.003 -2.786 67 HG2 PRO 13 1HG PRO 13 10.980 11.473 -0.593 68 HG3 PRO 13 2HG PRO 13 12.686 11.140 -0.815 69 HD2 PRO 13 1HD PRO 13 11.346 13.630 -1.297 70 HD3 PRO 13 2HD PRO 13 13.027 13.263 -1.629 71 H LYS 14 H LYS 14 9.846 10.875 -5.777 72 HA LYS 14 HA LYS 14 7.303 11.867 -4.689 73 HB2 LYS 14 1HB LYS 14 8.635 12.271 -7.255 74 HB3 LYS 14 2HB LYS 14 7.019 11.623 -7.455 75 HG2 LYS 14 1HG LYS 14 6.411 13.469 -5.601 76 HG3 LYS 14 2HG LYS 14 7.878 14.226 -6.189 77 HD2 LYS 14 1HD LYS 14 5.653 13.310 -8.062 78 HD3 LYS 14 2HD LYS 14 5.682 14.914 -7.356 79 HE2 LYS 14 1HE LYS 14 8.101 13.840 -8.853 80 HE3 LYS 14 2HE LYS 14 6.762 14.562 -9.723 81 HZ1 LYS 14 1HZ LYS 14 7.686 16.489 -9.248 82 HZ2 LYS 14 2HZ LYS 14 7.302 16.277 -7.675 83 HZ3 LYS 14 3HZ LYS 14 8.773 15.829 -8.223 84 H LEU 15 H LEU 15 5.439 10.546 -4.901 85 HA LEU 15 HA LEU 15 5.900 7.870 -5.962 86 HB2 LEU 15 1HB LEU 15 6.440 7.475 -3.729 87 HB3 LEU 15 2HB LEU 15 5.201 8.558 -3.126 88 HG LEU 15 HG LEU 15 3.455 7.001 -3.643 89 HD11 LEU 15 1HD1 LEU 15 3.622 5.088 -4.935 90 HD12 LEU 15 2HD1 LEU 15 4.689 6.225 -5.796 91 HD13 LEU 15 3HD1 LEU 15 5.388 4.976 -4.736 92 HD21 LEU 15 1HD2 LEU 15 5.694 6.300 -1.942 93 HD22 LEU 15 2HD2 LEU 15 3.945 6.118 -1.664 94 HD23 LEU 15 3HD2 LEU 15 4.846 4.848 -2.527 95 H HIS 16 H HIS 16 4.391 7.673 -7.523 96 HA HIS 16 HA HIS 16 1.990 9.228 -7.348 97 HB2 HIS 16 1HB HIS 16 3.388 8.751 -9.442 98 HB3 HIS 16 2HB HIS 16 2.678 7.149 -9.430 99 HD1 HIS 16 1HD HIS 16 0.740 6.988 -10.980 100 HD2 HIS 16 2HD HIS 16 1.042 10.796 -9.249 101 HE1 HIS 16 1HE HIS 16 -1.183 8.363 -11.939 102 H TYR 17 H TYR 17 -0.110 8.483 -6.971 103 HA TYR 17 HA TYR 17 -0.607 5.666 -6.737 104 HB2 TYR 17 1HB TYR 17 -1.358 6.088 -4.273 105 HB3 TYR 17 2HB TYR 17 0.376 6.056 -4.530 106 HD1 TYR 17 2HD TYR 17 -2.532 8.344 -4.109 107 HD2 TYR 17 1HD TYR 17 1.726 7.940 -4.014 108 HE1 TYR 17 2HE TYR 17 -2.328 10.655 -3.069 109 HE2 TYR 17 1HE TYR 17 1.916 10.252 -2.975 110 HH TYR 17 HH TYR 17 -0.907 12.315 -2.643 111 H CYS 18 H CYS 18 -2.753 5.229 -7.128 112 HA CYS 18 HA CYS 18 -4.474 7.588 -7.297 113 HB2 CYS 18 1HB CYS 18 -4.105 6.452 -9.442 114 HB3 CYS 18 2HB CYS 18 -4.672 4.938 -8.765 115 HG CYS 18 HG CYS 18 -7.006 6.144 -7.894 116 H LEU 19 H LEU 19 -5.717 7.747 -5.455 117 HA LEU 19 HA LEU 19 -6.361 5.340 -3.990 118 HB2 LEU 19 1HB LEU 19 -7.217 8.150 -3.339 119 HB3 LEU 19 2HB LEU 19 -7.070 6.776 -2.261 120 HG LEU 19 HG LEU 19 -5.194 7.924 -1.674 121 HD11 LEU 19 1HD1 LEU 19 -4.669 5.633 -2.869 122 HD12 LEU 19 2HD1 LEU 19 -3.810 6.686 -4.018 123 HD13 LEU 19 3HD1 LEU 19 -3.363 6.698 -2.296 124 HD21 LEU 19 1HD2 LEU 19 -4.079 9.545 -2.882 125 HD22 LEU 19 2HD2 LEU 19 -4.436 8.780 -4.449 126 HD23 LEU 19 3HD2 LEU 19 -5.720 9.639 -3.566 127 H ASP 20 H ASP 20 -8.298 4.284 -4.007 128 HA ASP 20 HA ASP 20 -10.603 5.670 -4.976 129 HB2 ASP 20 1HB ASP 20 -9.717 4.879 -7.099 130 HB3 ASP 20 2HB ASP 20 -9.376 3.293 -6.436 131 H TYR 21 H TYR 21 -12.108 5.059 -3.415 132 HA TYR 21 HA TYR 21 -11.790 2.423 -2.184 133 HB2 TYR 21 1HB TYR 21 -11.878 4.640 -0.870 134 HB3 TYR 21 2HB TYR 21 -13.485 4.910 -1.514 135 HD1 TYR 21 1HD TYR 21 -11.502 2.537 0.578 136 HD2 TYR 21 2HD TYR 21 -15.382 4.039 -0.417 137 HE1 TYR 21 1HE TYR 21 -12.507 1.254 2.530 138 HE2 TYR 21 2HE TYR 21 -16.374 2.751 1.537 139 HH TYR 21 HH TYR 21 -14.885 0.286 3.012 140 H ASP 22 H ASP 22 -13.030 0.800 -2.971 141 HA ASP 22 HA ASP 22 -15.393 1.518 -4.440 142 HB2 ASP 22 1HB ASP 22 -13.521 -0.394 -4.867 143 HB3 ASP 22 2HB ASP 22 -14.623 -1.342 -3.888 144 H CYS 23 H CYS 23 -16.783 2.216 -2.647 145 HA CYS 23 HA CYS 23 -17.149 1.079 -0.256 146 HB2 CYS 23 1HB CYS 23 -19.266 2.113 -0.154 147 HB3 CYS 23 2HB CYS 23 -18.323 3.111 -1.244 148 HG CYS 23 HG CYS 23 -21.053 2.350 -1.771 149 H GLN 24 H GLN 24 -18.258 -0.094 -3.456 150 HA GLN 24 HA GLN 24 -20.046 -1.990 -2.592 151 HB2 GLN 24 1HB GLN 24 -18.203 -2.277 -4.999 152 HB3 GLN 24 2HB GLN 24 -19.792 -2.986 -4.796 153 HG2 GLN 24 1HG GLN 24 -19.989 -0.117 -4.390 154 HG3 GLN 24 2HG GLN 24 -19.137 -0.417 -5.892 155 HE21 GLN 24 1HE2 GLN 24 -21.087 0.612 -6.757 156 HE22 GLN 24 2HE2 GLN 24 -22.465 -0.364 -7.144 157 H LYS 25 H LYS 25 -16.473 -2.204 -3.118 158 HA LYS 25 HA LYS 25 -16.528 -4.897 -1.997 159 HB2 LYS 25 1HB LYS 25 -14.009 -3.639 -2.982 160 HB3 LYS 25 2HB LYS 25 -14.558 -5.299 -3.096 161 HG2 LYS 25 1HG LYS 25 -16.402 -4.392 -4.704 162 HG3 LYS 25 2HG LYS 25 -15.454 -2.920 -4.769 163 HD2 LYS 25 1HD LYS 25 -13.984 -3.853 -6.224 164 HD3 LYS 25 2HD LYS 25 -13.688 -5.199 -5.142 165 HE2 LYS 25 1HE LYS 25 -16.201 -5.843 -6.102 166 HE3 LYS 25 2HE LYS 25 -15.515 -5.024 -7.491 167 HZ1 LYS 25 1HZ LYS 25 -13.825 -6.554 -7.631 168 HZ2 LYS 25 2HZ LYS 25 -13.966 -7.058 -6.084 169 HZ3 LYS 25 3HZ LYS 25 -15.085 -7.496 -7.190 170 H ALA 26 H ALA 26 -16.583 -1.826 -0.830 171 HA ALA 26 HA ALA 26 -15.690 -0.755 0.924 172 HB1 ALA 26 1HB ALA 26 -16.791 -3.354 1.688 173 HB2 ALA 26 2HB ALA 26 -15.592 -2.770 2.867 174 HB3 ALA 26 3HB ALA 26 -17.000 -1.762 2.456 175 H GLU 27 H GLU 27 -13.674 -1.726 -0.925 176 HA GLU 27 HA GLU 27 -11.532 -2.082 1.015 177 HB2 GLU 27 1HB GLU 27 -12.147 -3.709 -1.429 178 HB3 GLU 27 2HB GLU 27 -10.458 -3.356 -1.125 179 HG2 GLU 27 1HG GLU 27 -12.033 -4.258 1.255 180 HG3 GLU 27 2HG GLU 27 -11.803 -5.463 0.004 181 H LEU 28 H LEU 28 -9.770 -0.714 0.729 182 HA LEU 28 HA LEU 28 -10.112 1.395 -1.165 183 HB2 LEU 28 1HB LEU 28 -9.289 1.707 1.143 184 HB3 LEU 28 2HB LEU 28 -7.845 0.799 0.742 185 HG LEU 28 HG LEU 28 -7.303 2.529 -0.993 186 HD11 LEU 28 1HD1 LEU 28 -9.322 3.550 -1.550 187 HD12 LEU 28 2HD1 LEU 28 -9.778 3.809 0.151 188 HD13 LEU 28 3HD1 LEU 28 -8.481 4.784 -0.581 189 HD21 LEU 28 1HD2 LEU 28 -7.009 4.381 0.961 190 HD22 LEU 28 2HD2 LEU 28 -7.309 2.923 1.937 191 HD23 LEU 28 3HD2 LEU 28 -5.967 2.951 0.769 192 H PHE 29 H PHE 29 -8.228 2.087 -2.610 193 HA PHE 29 HA PHE 29 -6.670 -0.166 -3.569 194 HB2 PHE 29 1HB PHE 29 -8.736 1.495 -5.122 195 HB3 PHE 29 2HB PHE 29 -7.485 0.589 -5.950 196 HD1 PHE 29 2HD PHE 29 -7.475 -1.889 -5.841 197 HD2 PHE 29 1HD PHE 29 -10.649 0.398 -4.196 198 HE1 PHE 29 2HE PHE 29 -8.926 -3.936 -5.793 199 HE2 PHE 29 1HE PHE 29 -12.100 -1.649 -4.148 200 HZ PHE 29 HZ PHE 29 -11.221 -3.792 -4.947 201 H VAL 30 H VAL 30 -4.694 0.454 -4.469 202 HA VAL 30 HA VAL 30 -4.308 3.341 -4.817 203 HB VAL 30 HB VAL 30 -2.397 1.434 -3.453 204 HG11 VAL 30 1HG1 VAL 30 -0.830 3.000 -3.701 205 HG12 VAL 30 2HG1 VAL 30 -1.955 3.923 -4.726 206 HG13 VAL 30 3HG1 VAL 30 -1.892 4.230 -2.973 207 HG21 VAL 30 1HG2 VAL 30 -3.300 1.924 -1.461 208 HG22 VAL 30 2HG2 VAL 30 -3.429 3.655 -1.853 209 HG23 VAL 30 3HG2 VAL 30 -4.707 2.528 -2.368 210 H THR 31 H THR 31 -4.659 2.904 -7.105 211 HA THR 31 HA THR 31 -2.663 1.176 -8.355 212 HB THR 31 HB THR 31 -4.139 1.693 -10.393 213 HG1 THR 31 1HG THR 31 -5.839 3.109 -9.975 214 HG21 THR 31 1HG2 THR 31 -6.239 0.559 -9.432 215 HG22 THR 31 2HG2 THR 31 -4.725 -0.347 -9.196 216 HG23 THR 31 3HG2 THR 31 -5.425 0.582 -7.849 217 H ARG 32 H ARG 32 -2.031 2.220 -10.692 218 HA ARG 32 HA ARG 32 -0.682 3.595 -11.669 219 HB2 ARG 32 1HB ARG 32 -1.963 5.808 -9.988 220 HB3 ARG 32 2HB ARG 32 -1.098 6.034 -11.495 221 HG2 ARG 32 1HG ARG 32 -3.446 4.134 -11.468 222 HG3 ARG 32 2HG ARG 32 -3.773 5.856 -11.437 223 HD2 ARG 32 1HD ARG 32 -2.384 6.160 -13.498 224 HD3 ARG 32 2HD ARG 32 -2.043 4.442 -13.526 225 HE ARG 32 HE ARG 32 -4.466 5.714 -14.449 226 HH11 ARG 32 2HH2 ARG 32 -3.302 2.791 -12.874 227 HH12 ARG 32 1HH2 ARG 32 -4.621 1.814 -13.428 228 HH21 ARG 32 2HH1 ARG 32 -6.206 4.426 -15.180 229 HH22 ARG 32 1HH1 ARG 32 -6.284 2.751 -14.748 230 H LEU 33 H LEU 33 0.644 2.269 -9.739 231 HA LEU 33 HA LEU 33 1.886 4.117 -7.903 232 HB2 LEU 33 1HB LEU 33 1.908 1.166 -8.359 233 HB3 LEU 33 2HB LEU 33 3.251 1.892 -7.499 234 HG LEU 33 HG LEU 33 0.369 2.299 -6.674 235 HD11 LEU 33 1HD1 LEU 33 1.713 -0.140 -6.628 236 HD12 LEU 33 2HD1 LEU 33 1.883 0.494 -4.974 237 HD13 LEU 33 3HD1 LEU 33 0.266 0.306 -5.693 238 HD21 LEU 33 1HD2 LEU 33 2.187 3.909 -5.914 239 HD22 LEU 33 2HD2 LEU 33 1.212 3.138 -4.641 240 HD23 LEU 33 3HD2 LEU 33 2.857 2.550 -4.980 241 H GLU 34 H GLU 34 3.677 5.290 -8.328 242 HA GLU 34 HA GLU 34 5.631 4.200 -10.112 243 HB2 GLU 34 1HB GLU 34 4.312 6.872 -10.764 244 HB3 GLU 34 2HB GLU 34 5.663 6.159 -11.624 245 HG2 GLU 34 1HG GLU 34 4.195 4.155 -12.156 246 HG3 GLU 34 2HG GLU 34 2.848 4.991 -11.408 247 H ALA 35 H ALA 35 7.391 4.372 -8.783 248 HA ALA 35 HA ALA 35 7.559 6.531 -6.898 249 HB1 ALA 35 1HB ALA 35 9.253 4.120 -7.609 250 HB2 ALA 35 2HB ALA 35 9.814 5.350 -6.451 251 HB3 ALA 35 3HB ALA 35 8.327 4.430 -6.121 252 H VAL 36 H VAL 36 8.855 8.355 -7.012 253 HA VAL 36 HA VAL 36 10.488 8.600 -9.440 254 HB VAL 36 HB VAL 36 8.527 10.552 -8.238 255 HG11 VAL 36 1HG1 VAL 36 9.715 12.298 -8.953 256 HG12 VAL 36 2HG1 VAL 36 11.053 11.193 -9.348 257 HG13 VAL 36 3HG1 VAL 36 9.835 11.594 -10.583 258 HG21 VAL 36 1HG2 VAL 36 7.707 8.845 -9.882 259 HG22 VAL 36 2HG2 VAL 36 7.490 10.532 -10.408 260 HG23 VAL 36 3HG2 VAL 36 8.811 9.550 -11.088 261 H THR 37 H THR 37 12.102 7.730 -7.787 262 HA THR 37 HA THR 37 12.961 9.854 -5.947 263 HB THR 37 HB THR 37 14.089 8.028 -4.755 264 HG1 THR 37 1HG THR 37 14.141 5.948 -5.821 265 HG21 THR 37 1HG2 THR 37 11.384 6.999 -5.766 266 HG22 THR 37 2HG2 THR 37 12.232 6.448 -4.300 267 HG23 THR 37 3HG2 THR 37 11.593 8.108 -4.389 268 H SER 38 H SER 38 15.593 9.412 -5.617 269 HA SER 38 HA SER 38 16.799 9.225 -8.211 270 HB2 SER 38 1HB SER 38 17.873 11.442 -8.100 271 HB3 SER 38 2HB SER 38 16.128 11.603 -8.125 272 HG SER 38 HG SER 38 17.724 12.715 -6.376 273 H ASN 39 H ASN 39 18.103 7.514 -7.485 274 HA ASN 39 HA ASN 39 20.370 8.192 -6.051 275 HB2 ASN 39 1HB ASN 39 18.538 8.007 -4.175 276 HB3 ASN 39 2HB ASN 39 18.582 6.282 -4.481 277 HD21 ASN 39 1HD2 ASN 39 20.529 9.093 -3.616 278 HD22 ASN 39 2HD2 ASN 39 21.759 8.262 -2.724 279 H HIS 40 H HIS 40 21.917 6.409 -6.196 280 HA HIS 40 HA HIS 40 20.945 3.830 -7.000 281 HB2 HIS 40 1HB HIS 40 21.536 5.706 -9.004 282 HB3 HIS 40 2HB HIS 40 22.945 4.666 -8.935 283 HD1 HIS 40 1HD HIS 40 21.339 4.474 -11.456 284 HD2 HIS 40 2HD HIS 40 20.462 2.154 -8.073 285 HE1 HIS 40 1HE HIS 40 20.025 2.455 -12.295 286 H ASP 41 H ASP 41 21.957 2.906 -5.223 287 HA ASP 41 HA ASP 41 24.783 2.687 -5.461 288 HB2 ASP 41 1HB ASP 41 24.575 4.759 -4.101 289 HB3 ASP 41 2HB ASP 41 23.525 3.929 -2.970 290 H GLY 42 H GLY 42 24.560 0.406 -5.541 291 HA2 GLY 42 1HA GLY 42 24.692 -1.439 -3.923 292 HA3 GLY 42 2HA GLY 42 23.190 -0.852 -3.237 293 H GLY 43 H GLY 43 22.611 -3.225 -3.764 294 HA2 GLY 43 1HA GLY 43 21.325 -3.255 -6.408 295 HA3 GLY 43 2HA GLY 43 22.366 -4.587 -5.948 296 H CYS 44 H CYS 44 19.554 -2.646 -4.720 297 HA CYS 44 HA CYS 44 18.520 -5.158 -3.623 298 HB2 CYS 44 1HB CYS 44 19.321 -3.062 -2.064 299 HB3 CYS 44 2HB CYS 44 17.634 -2.655 -2.309 300 HG CYS 44 HG CYS 44 19.068 -5.316 -1.016 301 H ASP 45 H ASP 45 16.042 -5.108 -3.485 302 HA ASP 45 HA ASP 45 15.075 -3.717 -5.839 303 HB2 ASP 45 1HB ASP 45 14.364 -6.244 -4.390 304 HB3 ASP 45 2HB ASP 45 13.023 -5.378 -5.114 305 H CYS 46 H CYS 46 13.633 -1.995 -5.552 306 HA CYS 46 HA CYS 46 12.763 -1.468 -2.839 307 HB2 CYS 46 1HB CYS 46 12.374 0.764 -3.519 308 HB3 CYS 46 2HB CYS 46 13.878 0.293 -4.285 309 HG CYS 46 HG CYS 46 13.203 0.270 -6.604 310 H TYR 47 H TYR 47 10.467 -1.026 -2.375 311 HA TYR 47 HA TYR 47 8.554 -1.715 -4.431 312 HB2 TYR 47 1HB TYR 47 7.619 -3.535 -2.943 313 HB3 TYR 47 2HB TYR 47 9.266 -3.905 -3.414 314 HD1 TYR 47 2HD TYR 47 7.156 -2.650 -0.630 315 HD2 TYR 47 1HD TYR 47 11.011 -4.099 -1.788 316 HE1 TYR 47 2HE TYR 47 7.811 -2.882 1.815 317 HE2 TYR 47 1HE TYR 47 11.653 -4.327 0.662 318 HH TYR 47 HH TYR 47 10.866 -4.374 2.729 319 H VAL 48 H VAL 48 6.364 -1.116 -3.854 320 HA VAL 48 HA VAL 48 6.359 0.958 -1.818 321 HB VAL 48 HB VAL 48 4.216 0.208 -3.811 322 HG11 VAL 48 1HG1 VAL 48 4.209 2.969 -3.286 323 HG12 VAL 48 2HG1 VAL 48 3.033 1.757 -2.722 324 HG13 VAL 48 3HG1 VAL 48 4.427 2.187 -1.702 325 HG21 VAL 48 1HG2 VAL 48 6.187 2.450 -4.230 326 HG22 VAL 48 2HG2 VAL 48 6.568 0.793 -4.755 327 HG23 VAL 48 3HG2 VAL 48 5.141 1.629 -5.413 328 H GLN 49 H GLN 49 4.764 1.043 -0.123 329 HA GLN 49 HA GLN 49 3.346 -1.451 0.295 330 HB2 GLN 49 1HB GLN 49 5.507 -1.572 1.559 331 HB3 GLN 49 2HB GLN 49 5.075 -0.109 2.421 332 HG2 GLN 49 1HG GLN 49 2.837 -1.480 2.971 333 HG3 GLN 49 2HG GLN 49 3.854 -2.865 2.629 334 HE21 GLN 49 1HE2 GLN 49 2.909 -0.574 4.896 335 HE22 GLN 49 2HE2 GLN 49 4.088 -0.862 6.133 336 H GLY 50 H GLY 50 1.225 -1.017 0.716 337 HA2 GLY 50 1HA GLY 50 0.562 1.700 1.657 338 HA3 GLY 50 2HA GLY 50 -0.472 0.654 0.704 339 H SER 51 H SER 51 -0.051 1.887 3.761 340 HA SER 51 HA SER 51 -1.302 -0.471 4.938 341 HB2 SER 51 1HB SER 51 1.058 0.164 5.777 342 HB3 SER 51 2HB SER 51 0.322 1.590 6.480 343 HG SER 51 HG SER 51 -0.207 0.359 8.140 344 H VAL 52 H VAL 52 -3.003 -0.021 6.550 345 HA VAL 52 HA VAL 52 -3.947 2.746 6.552 346 HB VAL 52 HB VAL 52 -5.171 0.460 5.223 347 HG11 VAL 52 1HG1 VAL 52 -7.459 0.814 5.951 348 HG12 VAL 52 2HG1 VAL 52 -6.451 0.375 7.351 349 HG13 VAL 52 3HG1 VAL 52 -6.935 2.069 7.099 350 HG21 VAL 52 1HG2 VAL 52 -6.348 2.169 4.009 351 HG22 VAL 52 2HG2 VAL 52 -5.970 3.387 5.251 352 HG23 VAL 52 3HG2 VAL 52 -4.669 2.715 4.240 353 H ALA 53 H ALA 53 -5.690 3.041 8.287 354 HA ALA 53 HA ALA 53 -5.423 1.069 10.425 355 HB1 ALA 53 1HB ALA 53 -5.155 3.134 11.983 356 HB2 ALA 53 2HB ALA 53 -3.728 2.568 11.082 357 HB3 ALA 53 3HB ALA 53 -4.634 3.990 10.512 358 H ASN 54 H ASN 54 -7.481 0.450 10.841 359 HA ASN 54 HA ASN 54 -9.526 2.495 10.518 360 HB2 ASN 54 1HB ASN 54 -10.939 0.155 10.765 361 HB3 ASN 54 2HB ASN 54 -10.391 0.784 9.224 362 HD21 ASN 54 1HD2 ASN 54 -10.167 -1.177 8.255 363 HD22 ASN 54 2HD2 ASN 54 -8.939 -2.331 8.654 364 H ARG 55 H ARG 55 -11.582 1.659 12.080 365 HA ARG 55 HA ARG 55 -10.559 2.019 14.681 366 HB2 ARG 55 1HB ARG 55 -13.079 2.298 13.339 367 HB3 ARG 55 2HB ARG 55 -13.352 1.184 14.664 368 HG2 ARG 55 1HG ARG 55 -12.496 2.779 16.294 369 HG3 ARG 55 2HG ARG 55 -11.899 3.840 15.033 370 HD2 ARG 55 1HD ARG 55 -13.938 4.864 15.696 371 HD3 ARG 55 2HD ARG 55 -14.374 4.007 14.231 372 HE ARG 55 HE ARG 55 -14.825 2.155 16.274 373 HH11 ARG 55 2HH2 ARG 55 -15.965 5.403 15.541 374 HH12 ARG 55 1HH2 ARG 55 -17.496 5.179 16.320 375 HH21 ARG 55 2HH1 ARG 55 -16.845 1.860 17.301 376 HH22 ARG 55 1HH1 ARG 55 -17.999 3.150 17.328 377 H THR 56 H THR 56 -10.694 -0.682 12.717 378 HA THR 56 HA THR 56 -11.314 -2.510 14.935 379 HB THR 56 HB THR 56 -11.846 -4.113 13.203 380 HG1 THR 56 1HG THR 56 -10.778 -2.085 11.378 381 HG21 THR 56 1HG2 THR 56 -13.745 -3.047 12.514 382 HG22 THR 56 2HG2 THR 56 -13.072 -1.521 13.134 383 HG23 THR 56 3HG2 THR 56 -12.787 -1.996 11.443 384 H GLY 57 H GLY 57 -8.738 -1.111 13.093 385 HA2 GLY 57 1HA GLY 57 -6.673 -1.983 14.565 386 HA3 GLY 57 2HA GLY 57 -6.926 -3.341 13.486 387 H SER 58 H SER 58 -5.554 -3.293 11.767 388 HA SER 58 HA SER 58 -5.482 -0.944 10.168 389 HB2 SER 58 1HB SER 58 -2.938 -0.810 10.225 390 HB3 SER 58 2HB SER 58 -3.752 -0.231 11.665 391 HG SER 58 HG SER 58 -3.187 -2.960 11.795 392 H VAL 59 H VAL 59 -4.061 -1.374 8.139 393 HA VAL 59 HA VAL 59 -3.771 -4.251 7.674 394 HB VAL 59 HB VAL 59 -4.691 -3.743 5.342 395 HG11 VAL 59 1HG1 VAL 59 -6.109 -4.215 7.883 396 HG12 VAL 59 2HG1 VAL 59 -7.148 -3.629 6.561 397 HG13 VAL 59 3HG1 VAL 59 -6.178 -5.106 6.343 398 HG21 VAL 59 1HG2 VAL 59 -5.491 -1.246 6.824 399 HG22 VAL 59 2HG2 VAL 59 -4.837 -1.426 5.179 400 HG23 VAL 59 3HG2 VAL 59 -6.520 -1.892 5.524 401 H GLU 60 H GLU 60 -2.463 -4.615 5.566 402 HA GLU 60 HA GLU 60 -0.780 -2.411 4.875 403 HB2 GLU 60 1HB GLU 60 0.188 -4.706 6.574 404 HB3 GLU 60 2HB GLU 60 1.279 -4.048 5.371 405 HG2 GLU 60 1HG GLU 60 0.918 -1.748 6.334 406 HG3 GLU 60 2HG GLU 60 -0.116 -2.444 7.565 407 H ALA 61 H ALA 61 0.176 -2.691 2.814 408 HA ALA 61 HA ALA 61 0.101 -5.320 1.614 409 HB1 ALA 61 1HB ALA 61 -1.695 -3.028 0.783 410 HB2 ALA 61 2HB ALA 61 -1.176 -4.267 -0.385 411 HB3 ALA 61 3HB ALA 61 -2.115 -4.737 1.052 412 H GLN 62 H GLN 62 1.033 -5.123 -0.730 413 HA GLN 62 HA GLN 62 2.572 -2.792 -1.205 414 HB2 GLN 62 1HB GLN 62 4.788 -4.118 -1.202 415 HB3 GLN 62 2HB GLN 62 4.149 -3.628 0.354 416 HG2 GLN 62 1HG GLN 62 4.459 -5.837 0.895 417 HG3 GLN 62 2HG GLN 62 2.906 -6.048 0.111 418 HE21 GLN 62 1HE2 GLN 62 6.399 -6.028 -0.437 419 HE22 GLN 62 2HE2 GLN 62 6.435 -7.171 -1.739 420 H THR 63 H THR 63 4.269 -3.457 -3.146 421 HA THR 63 HA THR 63 2.678 -5.141 -4.968 422 HB THR 63 HB THR 63 3.599 -3.601 -6.746 423 HG1 THR 63 1HG THR 63 5.502 -2.927 -5.574 424 HG21 THR 63 1HG2 THR 63 1.583 -2.963 -4.869 425 HG22 THR 63 2HG2 THR 63 2.634 -1.526 -4.894 426 HG23 THR 63 3HG2 THR 63 1.892 -2.113 -6.402 427 H ALA 64 H ALA 64 4.216 -5.791 -6.954 428 HA ALA 64 HA ALA 64 6.088 -7.568 -5.777 429 HB1 ALA 64 1HB ALA 64 6.521 -8.143 -8.197 430 HB2 ALA 64 2HB ALA 64 4.809 -8.234 -7.718 431 HB3 ALA 64 3HB ALA 64 5.400 -6.837 -8.649 432 H LEU 65 H LEU 65 8.306 -7.426 -5.600 433 HA LEU 65 HA LEU 65 9.568 -5.074 -5.360 434 HB2 LEU 65 1HB LEU 65 10.541 -7.805 -6.122 435 HB3 LEU 65 2HB LEU 65 11.668 -6.465 -6.037 436 HG LEU 65 HG LEU 65 11.777 -7.608 -3.962 437 HD11 LEU 65 1HD1 LEU 65 10.107 -5.547 -2.796 438 HD12 LEU 65 2HD1 LEU 65 11.877 -5.732 -2.778 439 HD13 LEU 65 3HD1 LEU 65 11.082 -4.907 -4.140 440 HD21 LEU 65 1HD2 LEU 65 8.862 -7.239 -3.358 441 HD22 LEU 65 2HD2 LEU 65 9.395 -8.617 -4.351 442 HD23 LEU 65 3HD2 LEU 65 10.026 -8.414 -2.700 443 H LYS 66 H LYS 66 11.218 -3.938 -6.700 444 HA LYS 66 HA LYS 66 10.874 -4.301 -9.560 445 HB2 LYS 66 1HB LYS 66 10.006 -1.846 -8.040 446 HB3 LYS 66 2HB LYS 66 10.548 -1.728 -9.702 447 HG2 LYS 66 1HG LYS 66 8.390 -3.695 -8.823 448 HG3 LYS 66 2HG LYS 66 8.017 -2.064 -9.345 449 HD2 LYS 66 1HD LYS 66 9.395 -2.628 -11.490 450 HD3 LYS 66 2HD LYS 66 9.286 -4.299 -10.974 451 HE2 LYS 66 1HE LYS 66 6.655 -3.061 -10.789 452 HE3 LYS 66 2HE LYS 66 7.318 -2.779 -12.386 453 HZ1 LYS 66 1HZ LYS 66 6.091 -4.969 -11.823 454 HZ2 LYS 66 2HZ LYS 66 7.382 -4.988 -12.823 455 HZ3 LYS 66 3HZ LYS 66 7.550 -5.445 -11.264 456 H LYS 67 H LYS 67 12.492 -2.873 -10.777 457 HA LYS 67 HA LYS 67 14.975 -2.966 -9.266 458 HB2 LYS 67 1HB LYS 67 15.247 -4.109 -11.261 459 HB3 LYS 67 2HB LYS 67 14.232 -3.009 -12.170 460 HG2 LYS 67 1HG LYS 67 15.973 -1.611 -12.651 461 HG3 LYS 67 2HG LYS 67 16.570 -1.641 -11.004 462 HD2 LYS 67 1HD LYS 67 18.238 -2.638 -12.521 463 HD3 LYS 67 2HD LYS 67 17.638 -3.853 -11.410 464 HE2 LYS 67 1HE LYS 67 15.865 -4.327 -13.347 465 HE3 LYS 67 2HE LYS 67 17.052 -3.533 -14.363 466 HZ1 LYS 67 1HZ LYS 67 18.411 -5.314 -12.754 467 HZ2 LYS 67 2HZ LYS 67 17.117 -6.119 -13.341 468 HZ3 LYS 67 3HZ LYS 67 18.172 -5.409 -14.366 469 H ARG 68 H ARG 68 15.712 -1.178 -8.268 470 HA ARG 68 HA ARG 68 14.544 1.190 -8.221 471 HB2 ARG 68 1HB ARG 68 17.189 0.145 -7.576 472 HB3 ARG 68 2HB ARG 68 17.349 1.786 -8.169 473 HG2 ARG 68 1HG ARG 68 15.576 2.520 -6.529 474 HG3 ARG 68 2HG ARG 68 15.506 0.884 -5.906 475 HD2 ARG 68 1HD ARG 68 17.989 1.042 -5.372 476 HD3 ARG 68 2HD ARG 68 17.947 2.723 -5.867 477 HE ARG 68 HE ARG 68 16.982 1.654 -3.357 478 HH11 ARG 68 2HH2 ARG 68 16.343 4.160 -5.744 479 HH12 ARG 68 1HH2 ARG 68 15.573 5.221 -4.612 480 HH21 ARG 68 2HH1 ARG 68 15.967 3.054 -1.863 481 HH22 ARG 68 1HH1 ARG 68 15.358 4.588 -2.389 482 H GLN 69 H GLN 69 14.097 2.788 -9.709 483 HA GLN 69 HA GLN 69 16.051 3.225 -11.800 484 HB2 GLN 69 1HB GLN 69 13.137 2.508 -12.207 485 HB3 GLN 69 2HB GLN 69 13.956 3.523 -13.378 486 HG2 GLN 69 1HG GLN 69 14.932 0.770 -12.481 487 HG3 GLN 69 2HG GLN 69 14.053 1.081 -13.964 488 HE21 GLN 69 1HE2 GLN 69 16.809 0.093 -13.342 489 HE22 GLN 69 2HE2 GLN 69 17.891 1.072 -14.275 490 H LEU 70 H LEU 70 15.533 5.361 -13.016 491 HA LEU 70 HA LEU 70 15.291 7.396 -11.126 492 HB2 LEU 70 1HB LEU 70 15.966 7.102 -13.858 493 HB3 LEU 70 2HB LEU 70 14.714 8.325 -13.777 494 HG LEU 70 HG LEU 70 17.044 9.209 -13.691 495 HD11 LEU 70 1HD1 LEU 70 16.556 10.936 -12.189 496 HD12 LEU 70 2HD1 LEU 70 14.962 10.338 -12.707 497 HD13 LEU 70 3HD1 LEU 70 15.616 9.870 -11.119 498 HD21 LEU 70 1HD2 LEU 70 18.447 8.928 -11.801 499 HD22 LEU 70 2HD2 LEU 70 17.171 8.092 -10.884 500 HD23 LEU 70 3HD2 LEU 70 17.922 7.299 -12.289 501 H HIS 71 H HIS 71 12.908 5.437 -12.691 502 HA HIS 71 HA HIS 71 10.846 6.812 -11.323 503 HB2 HIS 71 1HB HIS 71 10.929 8.375 -13.120 504 HB3 HIS 71 2HB HIS 71 11.033 7.107 -14.325 505 HD1 HIS 71 1HD HIS 71 8.897 8.084 -15.511 506 HD2 HIS 71 2HD HIS 71 8.256 6.692 -11.606 507 HE1 HIS 71 1HE HIS 71 6.368 7.919 -15.217 508 H THR 72 H THR 72 10.798 4.638 -10.422 509 HA THR 72 HA THR 72 10.249 2.427 -12.159 510 HB THR 72 HB THR 72 10.112 2.778 -9.117 511 HG1 THR 72 1HG THR 72 12.221 3.155 -10.087 512 HG21 THR 72 1HG2 THR 72 10.558 0.238 -10.759 513 HG22 THR 72 2HG2 THR 72 10.323 0.363 -8.999 514 HG23 THR 72 3HG2 THR 72 8.964 0.684 -10.103 515 H THR 73 H THR 73 8.325 1.255 -12.419 516 HA THR 73 HA THR 73 5.912 2.531 -11.364 517 HB THR 73 HB THR 73 4.931 2.393 -13.697 518 HG1 THR 73 1HG THR 73 6.527 0.773 -14.417 519 HG21 THR 73 1HG2 THR 73 5.857 4.411 -14.462 520 HG22 THR 73 2HG2 THR 73 6.380 4.463 -12.761 521 HG23 THR 73 3HG2 THR 73 7.514 3.929 -14.025 522 H TRP 74 H TRP 74 4.084 1.145 -11.201 523 HA TRP 74 HA TRP 74 4.843 -1.691 -11.396 524 HB2 TRP 74 1HB TRP 74 3.149 -0.235 -9.369 525 HB3 TRP 74 2HB TRP 74 3.101 -1.975 -9.568 526 HD1 TRP 74 HD TRP 74 5.192 -3.366 -8.589 527 HE1 TRP 74 1HE TRP 74 7.252 -2.827 -7.030 528 HE3 TRP 74 3HE TRP 74 4.773 1.692 -8.899 529 HZ2 TRP 74 2HZ TRP 74 8.449 -0.400 -6.122 530 HZ3 TRP 74 3HZ TRP 74 6.427 3.073 -7.646 531 HH2 TRP 74 HH TRP 74 8.218 2.105 -6.293 532 H GLU 75 H GLU 75 3.106 -3.154 -12.082 533 HA GLU 75 HA GLU 75 1.371 -1.813 -13.941 534 HB2 GLU 75 1HB GLU 75 2.657 -4.414 -13.746 535 HB3 GLU 75 2HB GLU 75 0.938 -4.630 -14.013 536 HG2 GLU 75 1HG GLU 75 1.000 -3.194 -16.002 537 HG3 GLU 75 2HG GLU 75 2.665 -2.748 -15.685 538 H GLU 76 H GLU 76 1.281 -3.398 -10.799 539 HA GLU 76 HA GLU 76 -1.632 -3.303 -10.921 540 HB2 GLU 76 1HB GLU 76 -1.660 -5.034 -9.185 541 HB3 GLU 76 2HB GLU 76 -0.702 -5.578 -10.547 542 HG2 GLU 76 1HG GLU 76 1.374 -4.727 -9.300 543 HG3 GLU 76 2HG GLU 76 0.344 -4.460 -7.908 544 H GLY 77 H GLY 77 -2.653 -2.874 -8.647 545 HA2 GLY 77 1HA GLY 77 -1.052 -0.782 -7.295 546 HA3 GLY 77 2HA GLY 77 -2.773 -0.657 -7.601 547 H LEU 78 H LEU 78 -2.140 -0.314 -5.022 548 HA LEU 78 HA LEU 78 -2.295 -2.911 -3.708 549 HB2 LEU 78 1HB LEU 78 -2.035 -0.204 -2.413 550 HB3 LEU 78 2HB LEU 78 -1.703 -1.777 -1.714 551 HG LEU 78 HG LEU 78 -0.114 -0.852 -4.091 552 HD11 LEU 78 1HD1 LEU 78 1.331 -0.223 -1.721 553 HD12 LEU 78 2HD1 LEU 78 0.812 0.861 -3.035 554 HD13 LEU 78 3HD1 LEU 78 -0.251 0.588 -1.633 555 HD21 LEU 78 1HD2 LEU 78 1.645 -2.220 -3.003 556 HD22 LEU 78 2HD2 LEU 78 0.481 -2.652 -1.728 557 HD23 LEU 78 3HD2 LEU 78 0.181 -3.147 -3.411 558 H VAL 79 H VAL 79 -3.807 -2.760 -1.601 559 HA VAL 79 HA VAL 79 -6.148 -1.202 -1.878 560 HB VAL 79 HB VAL 79 -7.035 -2.443 -3.536 561 HG11 VAL 79 1HG1 VAL 79 -6.511 -4.853 -3.954 562 HG12 VAL 79 2HG1 VAL 79 -5.088 -3.786 -4.008 563 HG13 VAL 79 3HG1 VAL 79 -5.384 -4.803 -2.578 564 HG21 VAL 79 1HG2 VAL 79 -8.116 -3.017 -1.131 565 HG22 VAL 79 2HG2 VAL 79 -8.755 -3.648 -2.668 566 HG23 VAL 79 3HG2 VAL 79 -7.689 -4.661 -1.665 567 H LEU 80 H LEU 80 -6.659 -0.837 0.212 568 HA LEU 80 HA LEU 80 -6.084 -3.010 2.102 569 HB2 LEU 80 1HB LEU 80 -5.953 -0.016 2.362 570 HB3 LEU 80 2HB LEU 80 -6.093 -1.052 3.768 571 HG LEU 80 HG LEU 80 -3.818 -0.701 3.641 572 HD11 LEU 80 1HD1 LEU 80 -2.886 -2.777 3.380 573 HD12 LEU 80 2HD1 LEU 80 -4.613 -3.207 3.425 574 HD13 LEU 80 3HD1 LEU 80 -3.761 -3.107 1.866 575 HD21 LEU 80 1HD2 LEU 80 -2.602 -0.115 1.822 576 HD22 LEU 80 2HD2 LEU 80 -3.426 -1.275 0.752 577 HD23 LEU 80 3HD2 LEU 80 -4.216 0.263 1.173 578 HA PRO 81 HA PRO 81 -10.350 -3.140 2.801 579 HB2 PRO 81 1HB PRO 81 -10.394 -4.654 5.075 580 HB3 PRO 81 2HB PRO 81 -10.236 -5.340 3.471 581 HG2 PRO 81 1HG PRO 81 -8.164 -4.993 5.551 582 HG3 PRO 81 2HG PRO 81 -8.141 -6.035 4.142 583 HD2 PRO 81 1HD PRO 81 -6.757 -3.542 4.457 584 HD3 PRO 81 2HD PRO 81 -6.828 -4.526 3.008 585 H LEU 82 H LEU 82 -11.812 -1.699 3.470 586 HA LEU 82 HA LEU 82 -11.573 -0.746 6.167 587 HB2 LEU 82 1HB LEU 82 -9.945 0.685 5.157 588 HB3 LEU 82 2HB LEU 82 -11.018 1.073 3.826 589 HG LEU 82 HG LEU 82 -12.576 2.119 5.565 590 HD11 LEU 82 1HD1 LEU 82 -11.433 2.902 7.645 591 HD12 LEU 82 2HD1 LEU 82 -11.731 1.148 7.582 592 HD13 LEU 82 3HD1 LEU 82 -10.098 1.785 7.272 593 HD21 LEU 82 1HD2 LEU 82 -10.242 3.834 5.737 594 HD22 LEU 82 2HD2 LEU 82 -10.421 3.134 4.110 595 HD23 LEU 82 3HD2 LEU 82 -11.761 4.054 4.836 596 H ALA 83 H ALA 83 -13.496 0.471 6.825 597 HA ALA 83 HA ALA 83 -15.751 -0.205 5.080 598 HB1 ALA 83 1HB ALA 83 -16.684 -0.967 6.974 599 HB2 ALA 83 2HB ALA 83 -15.212 -0.524 7.871 600 HB3 ALA 83 3HB ALA 83 -16.541 0.648 7.708 601 H GLU 84 H GLU 84 -17.212 1.374 4.394 602 HA GLU 84 HA GLU 84 -16.244 3.890 4.009 603 HB2 GLU 84 1HB GLU 84 -18.219 2.654 2.876 604 HB3 GLU 84 2HB GLU 84 -19.212 3.253 4.190 605 HG2 GLU 84 1HG GLU 84 -17.947 5.576 3.469 606 HG3 GLU 84 2HG GLU 84 -17.953 4.750 1.923 607 H GLU 85 H GLU 85 -17.676 2.487 6.868 608 HA GLU 85 HA GLU 85 -18.472 5.016 7.938 609 HB2 GLU 85 1HB GLU 85 -18.983 3.638 9.995 610 HB3 GLU 85 2HB GLU 85 -19.812 3.102 8.547 611 HG2 GLU 85 1HG GLU 85 -18.366 1.221 8.263 612 HG3 GLU 85 2HG GLU 85 -17.133 1.892 9.312 613 H GLU 86 H GLU 86 -15.561 3.198 7.640 614 HA GLU 86 HA GLU 86 -14.440 4.592 9.941 615 HB2 GLU 86 1HB GLU 86 -13.103 2.294 8.478 616 HB3 GLU 86 2HB GLU 86 -12.785 2.877 10.099 617 HG2 GLU 86 1HG GLU 86 -15.416 2.248 10.393 618 HG3 GLU 86 2HG GLU 86 -15.014 1.122 9.112 619 H LEU 87 H LEU 87 -14.993 5.373 6.928 620 HA LEU 87 HA LEU 87 -12.450 5.697 5.758 621 HB2 LEU 87 1HB LEU 87 -15.218 6.678 5.262 622 HB3 LEU 87 2HB LEU 87 -13.897 7.542 4.501 623 HG LEU 87 HG LEU 87 -14.347 4.559 4.219 624 HD11 LEU 87 1HD1 LEU 87 -16.101 6.325 3.265 625 HD12 LEU 87 2HD1 LEU 87 -14.893 6.423 1.961 626 HD13 LEU 87 3HD1 LEU 87 -15.635 4.858 2.370 627 HD21 LEU 87 1HD2 LEU 87 -12.796 6.098 2.216 628 HD22 LEU 87 2HD2 LEU 87 -12.035 5.881 3.811 629 HD23 LEU 87 3HD2 LEU 87 -12.543 4.460 2.866 630 HA PRO 88 HA PRO 88 -12.725 9.998 7.699 631 HB2 PRO 88 1HB PRO 88 -14.643 10.540 9.569 632 HB3 PRO 88 2HB PRO 88 -14.817 10.945 7.873 633 HG2 PRO 88 1HG PRO 88 -16.096 8.758 9.396 634 HG3 PRO 88 2HG PRO 88 -16.562 9.437 7.849 635 HD2 PRO 88 1HD PRO 88 -15.207 6.948 8.292 636 HD3 PRO 88 2HD PRO 88 -15.570 7.683 6.743 637 H THR 89 H THR 89 -12.962 7.097 9.336 638 HA THR 89 HA THR 89 -11.334 8.225 11.520 639 HB THR 89 HB THR 89 -12.531 6.897 13.011 640 HG1 THR 89 1HG THR 89 -12.678 5.205 10.630 641 HG21 THR 89 1HG2 THR 89 -14.828 6.980 12.562 642 HG22 THR 89 2HG2 THR 89 -14.253 8.115 11.318 643 HG23 THR 89 3HG2 THR 89 -14.618 6.429 10.882 644 H ALA 90 H ALA 90 -10.473 7.369 8.786 645 HA ALA 90 HA ALA 90 -8.518 5.416 9.734 646 HB1 ALA 90 1HB ALA 90 -8.763 4.232 7.508 647 HB2 ALA 90 2HB ALA 90 -10.150 4.045 8.607 648 HB3 ALA 90 3HB ALA 90 -10.244 5.181 7.241 649 H THR 91 H THR 91 -6.567 5.366 8.267 650 HA THR 91 HA THR 91 -6.298 7.631 6.486 651 HB THR 91 HB THR 91 -4.365 7.409 8.825 652 HG1 THR 91 1HG THR 91 -6.816 9.000 8.549 653 HG21 THR 91 1HG2 THR 91 -3.734 8.949 6.985 654 HG22 THR 91 2HG2 THR 91 -5.347 9.699 7.041 655 HG23 THR 91 3HG2 THR 91 -4.228 9.893 8.411 656 H LEU 92 H LEU 92 -4.730 7.343 4.927 657 HA LEU 92 HA LEU 92 -3.524 4.679 4.982 658 HB2 LEU 92 1HB LEU 92 -4.825 4.866 3.082 659 HB3 LEU 92 2HB LEU 92 -4.410 6.549 2.822 660 HG LEU 92 HG LEU 92 -2.093 5.827 2.189 661 HD11 LEU 92 1HD1 LEU 92 -1.403 3.769 2.633 662 HD12 LEU 92 2HD1 LEU 92 -3.034 3.303 3.173 663 HD13 LEU 92 3HD1 LEU 92 -2.582 3.137 1.459 664 HD21 LEU 92 1HD2 LEU 92 -2.927 4.675 -0.009 665 HD22 LEU 92 2HD2 LEU 92 -4.541 5.054 0.638 666 HD23 LEU 92 3HD2 LEU 92 -3.368 6.362 0.348 667 H THR 93 H THR 93 -1.279 4.385 4.533 668 HA THR 93 HA THR 93 0.359 6.780 4.371 669 HB THR 93 HB THR 93 0.447 4.788 6.696 670 HG1 THR 93 1HG THR 93 -0.917 6.427 7.336 671 HG21 THR 93 1HG2 THR 93 2.266 6.246 7.569 672 HG22 THR 93 2HG2 THR 93 2.757 5.512 6.023 673 HG23 THR 93 3HG2 THR 93 2.220 7.208 6.071 674 H LEU 94 H LEU 94 1.156 6.236 2.381 675 HA LEU 94 HA LEU 94 1.999 3.550 1.868 676 HB2 LEU 94 1HB LEU 94 2.411 6.082 0.273 677 HB3 LEU 94 2HB LEU 94 2.693 4.448 -0.292 678 HG LEU 94 HG LEU 94 -0.039 5.151 0.711 679 HD11 LEU 94 1HD1 LEU 94 0.685 7.030 -0.777 680 HD12 LEU 94 2HD1 LEU 94 0.873 5.843 -2.090 681 HD13 LEU 94 3HD1 LEU 94 -0.727 6.118 -1.361 682 HD21 LEU 94 1HD2 LEU 94 -0.484 3.654 -1.425 683 HD22 LEU 94 2HD2 LEU 94 1.200 3.156 -1.135 684 HD23 LEU 94 3HD2 LEU 94 -0.024 2.940 0.139 685 H THR 95 H THR 95 3.957 2.652 2.264 686 HA THR 95 HA THR 95 6.144 4.512 2.929 687 HB THR 95 HB THR 95 6.562 2.004 4.214 688 HG1 THR 95 1HG THR 95 3.851 3.123 4.263 689 HG21 THR 95 1HG2 THR 95 7.130 4.118 5.315 690 HG22 THR 95 2HG2 THR 95 5.438 4.663 5.232 691 HG23 THR 95 3HG2 THR 95 5.886 3.313 6.302 692 H LEU 96 H LEU 96 8.025 4.305 1.848 693 HA LEU 96 HA LEU 96 8.102 2.134 -0.111 694 HB2 LEU 96 1HB LEU 96 8.202 4.284 -1.102 695 HB3 LEU 96 2HB LEU 96 9.414 4.842 0.035 696 HG LEU 96 HG LEU 96 11.048 3.250 -0.948 697 HD11 LEU 96 1HD1 LEU 96 9.120 2.793 -3.216 698 HD12 LEU 96 2HD1 LEU 96 10.621 1.924 -2.817 699 HD13 LEU 96 3HD1 LEU 96 9.172 1.706 -1.807 700 HD21 LEU 96 1HD2 LEU 96 10.099 4.798 -3.299 701 HD22 LEU 96 2HD2 LEU 96 10.400 5.711 -1.801 702 HD23 LEU 96 3HD2 LEU 96 11.701 4.736 -2.525 703 H ARG 97 H ARG 97 8.935 0.358 0.947 704 HA ARG 97 HA ARG 97 11.339 0.837 2.493 705 HB2 ARG 97 1HB ARG 97 9.305 -1.421 2.402 706 HB3 ARG 97 2HB ARG 97 10.887 -1.701 3.101 707 HG2 ARG 97 1HG ARG 97 10.222 -0.718 5.029 708 HG3 ARG 97 2HG ARG 97 9.938 0.786 4.175 709 HD2 ARG 97 1HD ARG 97 7.640 0.087 3.604 710 HD3 ARG 97 2HD ARG 97 7.912 -1.500 4.296 711 HE ARG 97 HE ARG 97 7.257 0.914 5.753 712 HH11 ARG 97 2HH2 ARG 97 9.085 -2.082 6.006 713 HH12 ARG 97 1HH2 ARG 97 9.008 -2.133 7.736 714 HH21 ARG 97 2HH1 ARG 97 7.155 0.848 8.035 715 HH22 ARG 97 1HH1 ARG 97 7.902 -0.455 8.898 716 H THR 98 H THR 98 13.262 -0.513 2.117 717 HA THR 98 HA THR 98 13.363 -1.503 -0.647 718 HB THR 98 HB THR 98 15.924 -1.235 -0.076 719 HG1 THR 98 1HG THR 98 15.350 -0.984 2.260 720 HG21 THR 98 1HG2 THR 98 14.273 0.472 -1.347 721 HG22 THR 98 2HG2 THR 98 14.502 1.424 0.140 722 HG23 THR 98 3HG2 THR 98 15.908 0.979 -0.857 723 H CYS 99 H CYS 99 13.865 -3.582 -1.149 724 HA CYS 99 HA CYS 99 13.265 -5.598 0.488 725 HB2 CYS 99 1HB CYS 99 13.642 -5.988 -1.851 726 HB3 CYS 99 2HB CYS 99 15.333 -5.545 -1.727 727 HG CYS 99 HG CYS 99 13.694 -8.114 -0.453 728 H ASP 100 H ASP 100 14.532 -7.125 1.817 729 HA ASP 100 HA ASP 100 15.983 -6.047 3.744 730 HB2 ASP 100 1HB ASP 100 17.086 -8.351 3.990 731 HB3 ASP 100 2HB ASP 100 15.335 -8.341 3.938 732 H ARG 101 H ARG 101 18.027 -5.092 3.904 733 HA ARG 101 HA ARG 101 19.848 -5.649 1.701 734 HB2 ARG 101 1HB ARG 101 18.954 -3.270 1.863 735 HB3 ARG 101 2HB ARG 101 19.724 -3.127 3.431 736 HG2 ARG 101 1HG ARG 101 21.498 -2.324 2.220 737 HG3 ARG 101 2HG ARG 101 21.853 -4.021 1.960 738 HD2 ARG 101 1HD ARG 101 21.649 -3.641 -0.272 739 HD3 ARG 101 2HD ARG 101 19.930 -3.418 -0.020 740 HE ARG 101 HE ARG 101 20.213 -1.075 -0.139 741 HH11 ARG 101 2HH2 ARG 101 23.342 -2.680 -0.004 742 HH12 ARG 101 1HH2 ARG 101 24.235 -1.253 -0.414 743 HH21 ARG 101 2HH1 ARG 101 21.391 0.808 -0.680 744 HH22 ARG 101 1HH1 ARG 101 23.117 0.744 -0.801 745 H PHE 102 H PHE 102 20.011 -4.206 5.048 746 HA PHE 102 HA PHE 102 21.992 -6.244 5.722 747 HB2 PHE 102 1HB PHE 102 22.154 -3.208 6.210 748 HB3 PHE 102 2HB PHE 102 23.346 -4.368 6.761 749 HD1 PHE 102 1HD PHE 102 24.122 -5.990 4.660 750 HD2 PHE 102 2HD PHE 102 22.821 -1.959 4.405 751 HE1 PHE 102 1HE PHE 102 25.381 -5.720 2.505 752 HE2 PHE 102 2HE PHE 102 24.080 -1.689 2.251 753 HZ PHE 102 HZ PHE 102 25.344 -3.572 1.326 754 H SER 103 H SER 103 19.018 -5.325 6.331 755 HA SER 103 HA SER 103 17.673 -5.359 8.032 756 HB2 SER 103 1HB SER 103 19.532 -7.326 8.605 757 HB3 SER 103 2HB SER 103 19.590 -6.365 10.069 758 HG SER 103 HG SER 103 17.039 -7.093 8.978 759 H ARG 104 H ARG 104 18.596 -2.875 7.627 760 HA ARG 104 HA ARG 104 18.714 -1.853 10.292 761 HB2 ARG 104 1HB ARG 104 20.651 -0.228 9.280 762 HB3 ARG 104 2HB ARG 104 21.017 -1.684 10.184 763 HG2 ARG 104 1HG ARG 104 21.696 -2.859 8.305 764 HG3 ARG 104 2HG ARG 104 20.535 -2.071 7.255 765 HD2 ARG 104 1HD ARG 104 23.130 -0.847 8.309 766 HD3 ARG 104 2HD ARG 104 22.824 -1.360 6.662 767 HE ARG 104 HE ARG 104 20.775 0.464 7.231 768 HH11 ARG 104 2HH2 ARG 104 24.293 0.544 7.199 769 HH12 ARG 104 1HH2 ARG 104 24.379 2.229 6.808 770 HH21 ARG 104 2HH1 ARG 104 20.887 2.687 6.714 771 HH22 ARG 104 1HH1 ARG 104 22.428 3.456 6.530 772 H HIS 105 H HIS 105 18.858 -1.220 6.732 773 HA HIS 105 HA HIS 105 18.116 1.392 6.685 774 HB2 HIS 105 1HB HIS 105 17.939 -0.914 4.857 775 HB3 HIS 105 2HB HIS 105 16.782 0.357 4.518 776 HD1 HIS 105 1HD HIS 105 17.880 2.853 4.194 777 HD2 HIS 105 2HD HIS 105 20.483 -0.426 3.929 778 HE1 HIS 105 1HE HIS 105 19.983 3.702 3.024 779 H SER 106 H SER 106 16.081 2.523 6.478 780 HA SER 106 HA SER 106 13.877 0.983 7.610 781 HB2 SER 106 1HB SER 106 14.236 3.974 7.995 782 HB3 SER 106 2HB SER 106 13.198 2.886 8.896 783 HG SER 106 HG SER 106 15.238 3.539 9.991 784 H VAL 107 H VAL 107 11.988 3.235 7.324 785 HA VAL 107 HA VAL 107 11.049 2.734 4.772 786 HB VAL 107 HB VAL 107 10.522 4.745 6.914 787 HG11 VAL 107 1HG1 VAL 107 9.212 4.861 4.176 788 HG12 VAL 107 2HG1 VAL 107 8.802 5.855 5.595 789 HG13 VAL 107 3HG1 VAL 107 10.387 6.040 4.806 790 HG21 VAL 107 1HG2 VAL 107 8.343 3.705 6.962 791 HG22 VAL 107 2HG2 VAL 107 8.694 2.797 5.472 792 HG23 VAL 107 3HG2 VAL 107 9.585 2.430 6.968 793 H ALA 108 H ALA 108 11.722 3.370 2.792 794 HA ALA 108 HA ALA 108 13.887 5.191 2.561 795 HB1 ALA 108 1HB ALA 108 12.221 4.411 0.199 796 HB2 ALA 108 2HB ALA 108 13.990 4.422 0.396 797 HB3 ALA 108 3HB ALA 108 13.024 3.105 1.103 798 H GLY 109 H GLY 109 10.416 5.485 2.726 799 HA2 GLY 109 1HA GLY 109 10.446 8.273 2.785 800 HA3 GLY 109 2HA GLY 109 10.055 7.795 1.145 801 H GLU 110 H GLU 110 8.490 8.965 3.614 802 HA GLU 110 HA GLU 110 6.393 6.943 3.613 803 HB2 GLU 110 1HB GLU 110 7.461 8.785 5.659 804 HB3 GLU 110 2HB GLU 110 5.712 8.829 5.558 805 HG2 GLU 110 1HG GLU 110 5.477 6.700 6.382 806 HG3 GLU 110 2HG GLU 110 6.825 6.081 5.450 807 H LEU 111 H LEU 111 4.222 7.536 3.090 808 HA LEU 111 HA LEU 111 3.882 10.274 2.117 809 HB2 LEU 111 1HB LEU 111 4.426 8.356 0.360 810 HB3 LEU 111 2HB LEU 111 2.713 8.035 0.537 811 HG LEU 111 HG LEU 111 2.587 9.484 -1.194 812 HD11 LEU 111 1HD1 LEU 111 1.446 10.546 0.767 813 HD12 LEU 111 2HD1 LEU 111 2.886 11.571 0.977 814 HD13 LEU 111 3HD1 LEU 111 1.928 11.678 -0.519 815 HD21 LEU 111 1HD2 LEU 111 4.369 10.488 -2.066 816 HD22 LEU 111 2HD2 LEU 111 4.592 11.509 -0.624 817 HD23 LEU 111 3HD2 LEU 111 5.294 9.874 -0.675 818 H ARG 112 H ARG 112 2.348 11.121 3.419 819 HA ARG 112 HA ARG 112 0.418 9.330 4.551 820 HB2 ARG 112 1HB ARG 112 1.217 10.913 6.135 821 HB3 ARG 112 2HB ARG 112 1.192 12.232 4.981 822 HG2 ARG 112 1HG ARG 112 -0.662 12.520 6.553 823 HG3 ARG 112 2HG ARG 112 -1.315 12.163 4.967 824 HD2 ARG 112 1HD ARG 112 -2.446 10.412 5.866 825 HD3 ARG 112 2HD ARG 112 -0.915 9.626 6.196 826 HE ARG 112 HE ARG 112 -1.199 10.135 8.454 827 HH11 ARG 112 2HH2 ARG 112 -3.138 12.370 6.550 828 HH12 ARG 112 1HH2 ARG 112 -3.860 13.122 7.933 829 HH21 ARG 112 2HH1 ARG 112 -2.151 11.127 10.279 830 HH22 ARG 112 1HH1 ARG 112 -3.294 12.410 10.068 831 H LEU 113 H LEU 113 -1.831 9.355 4.090 832 HA LEU 113 HA LEU 113 -2.812 11.386 2.264 833 HB2 LEU 113 1HB LEU 113 -2.992 8.441 1.615 834 HB3 LEU 113 2HB LEU 113 -3.720 9.753 0.709 835 HG LEU 113 HG LEU 113 -0.736 9.383 1.086 836 HD11 LEU 113 1HD1 LEU 113 -2.473 8.682 -1.297 837 HD12 LEU 113 2HD1 LEU 113 -0.695 8.605 -1.237 838 HD13 LEU 113 3HD1 LEU 113 -1.668 7.532 -0.201 839 HD21 LEU 113 1HD2 LEU 113 -2.071 11.686 0.448 840 HD22 LEU 113 2HD2 LEU 113 -0.394 11.305 -0.010 841 HD23 LEU 113 3HD2 LEU 113 -1.720 11.005 -1.159 842 H GLY 114 H GLY 114 -5.312 10.915 1.912 843 HA2 GLY 114 1HA GLY 114 -6.403 9.925 4.477 844 HA3 GLY 114 2HA GLY 114 -6.919 11.435 3.753 845 H LEU 115 H LEU 115 -8.742 9.326 4.318 846 HA LEU 115 HA LEU 115 -9.363 8.385 1.605 847 HB2 LEU 115 1HB LEU 115 -10.434 7.061 4.061 848 HB3 LEU 115 2HB LEU 115 -10.208 6.413 2.449 849 HG LEU 115 HG LEU 115 -8.561 5.322 3.625 850 HD11 LEU 115 1HD1 LEU 115 -6.661 7.510 3.139 851 HD12 LEU 115 2HD1 LEU 115 -6.720 5.860 2.472 852 HD13 LEU 115 3HD1 LEU 115 -7.725 7.145 1.759 853 HD21 LEU 115 1HD2 LEU 115 -7.286 6.157 5.456 854 HD22 LEU 115 2HD2 LEU 115 -7.795 7.832 5.133 855 HD23 LEU 115 3HD2 LEU 115 -8.978 6.641 5.724 856 H ASP 116 H ASP 116 -10.506 9.910 4.630 857 HA ASP 116 HA ASP 116 -13.135 9.979 4.312 858 HB2 ASP 116 1HB ASP 116 -13.045 12.326 5.298 859 HB3 ASP 116 2HB ASP 116 -12.121 11.120 6.171 860 H GLY 117 H GLY 117 -10.660 11.584 2.329 861 HA2 GLY 117 1HA GLY 117 -11.154 12.140 0.074 862 HA3 GLY 117 2HA GLY 117 -12.780 12.594 0.545 863 H THR 118 H THR 118 -9.869 13.453 2.448 864 HA THR 118 HA THR 118 -10.404 16.269 1.781 865 HB THR 118 HB THR 118 -9.375 14.814 4.256 866 HG1 THR 118 1HG THR 118 -11.659 15.181 4.066 867 HG21 THR 118 1HG2 THR 118 -9.513 17.843 3.880 868 HG22 THR 118 2HG2 THR 118 -8.875 16.949 5.281 869 HG23 THR 118 3HG2 THR 118 -7.987 16.939 3.738 870 H SER 119 H SER 119 -7.484 14.710 3.186 871 HA SER 119 HA SER 119 -5.664 16.257 2.085 872 HB2 SER 119 1HB SER 119 -5.549 13.230 2.410 873 HB3 SER 119 2HB SER 119 -4.136 14.197 2.039 874 HG SER 119 HG SER 119 -5.187 13.709 4.457 875 H VAL 120 H VAL 120 -6.529 13.079 0.519 876 HA VAL 120 HA VAL 120 -6.111 14.406 -2.068 877 HB VAL 120 HB VAL 120 -5.456 11.898 -2.664 878 HG11 VAL 120 1HG1 VAL 120 -3.511 13.843 -1.374 879 HG12 VAL 120 2HG1 VAL 120 -3.119 12.556 -2.540 880 HG13 VAL 120 3HG1 VAL 120 -4.107 13.946 -3.048 881 HG21 VAL 120 1HG2 VAL 120 -5.747 10.949 -0.468 882 HG22 VAL 120 2HG2 VAL 120 -4.008 10.970 -0.845 883 HG23 VAL 120 3HG2 VAL 120 -4.695 12.185 0.260 884 HA PRO 121 HA PRO 121 -10.098 12.917 -2.863 885 HB2 PRO 121 1HB PRO 121 -10.216 13.333 -5.561 886 HB3 PRO 121 2HB PRO 121 -10.492 14.601 -4.383 887 HG2 PRO 121 1HG PRO 121 -8.119 14.135 -6.084 888 HG3 PRO 121 2HG PRO 121 -8.592 15.593 -5.235 889 HD2 PRO 121 1HD PRO 121 -6.548 13.739 -4.454 890 HD3 PRO 121 2HD PRO 121 -7.100 15.133 -3.547 891 H LEU 122 H LEU 122 -11.402 11.377 -4.297 892 HA LEU 122 HA LEU 122 -9.715 9.004 -4.492 893 HB2 LEU 122 1HB LEU 122 -12.687 9.438 -4.258 894 HB3 LEU 122 2HB LEU 122 -12.000 7.884 -4.687 895 HG LEU 122 HG LEU 122 -11.306 9.378 -2.145 896 HD11 LEU 122 1HD1 LEU 122 -12.777 7.372 -1.210 897 HD12 LEU 122 2HD1 LEU 122 -13.490 8.936 -1.673 898 HD13 LEU 122 3HD1 LEU 122 -13.575 7.554 -2.791 899 HD21 LEU 122 1HD2 LEU 122 -10.411 6.854 -3.382 900 HD22 LEU 122 2HD2 LEU 122 -9.607 7.910 -2.195 901 HD23 LEU 122 3HD2 LEU 122 -10.840 6.743 -1.658 902 H GLY 123 H GLY 123 -9.940 7.569 -6.382 903 HA2 GLY 123 1HA GLY 123 -9.796 7.243 -8.602 904 HA3 GLY 123 2HA GLY 123 -11.286 8.159 -8.711 905 H ALA 124 H ALA 124 -8.386 9.670 -7.330 906 HA ALA 124 HA ALA 124 -7.923 11.053 -9.873 907 HB1 ALA 124 1HB ALA 124 -7.934 13.184 -8.801 908 HB2 ALA 124 2HB ALA 124 -9.406 12.356 -8.238 909 HB3 ALA 124 3HB ALA 124 -7.979 12.452 -7.179 910 H ALA 125 H ALA 125 -5.955 10.151 -10.384 911 HA ALA 125 HA ALA 125 -4.069 9.361 -8.474 912 HB1 ALA 125 1HB ALA 125 -4.397 8.767 -11.012 913 HB2 ALA 125 2HB ALA 125 -3.349 10.180 -11.289 914 HB3 ALA 125 3HB ALA 125 -2.755 8.806 -10.326 915 H GLN 126 H GLN 126 -2.382 10.419 -7.469 916 HA GLN 126 HA GLN 126 -1.937 13.167 -8.315 917 HB2 GLN 126 1HB GLN 126 -2.185 12.251 -5.415 918 HB3 GLN 126 2HB GLN 126 -1.808 13.879 -5.943 919 HG2 GLN 126 1HG GLN 126 -4.275 12.722 -7.156 920 HG3 GLN 126 2HG GLN 126 -4.357 12.955 -5.421 921 HE21 GLN 126 1HE2 GLN 126 -6.050 14.472 -6.178 922 HE22 GLN 126 2HE2 GLN 126 -5.606 16.111 -6.520 923 H TRP 127 H TRP 127 0.221 14.035 -7.573 924 HA TRP 127 HA TRP 127 2.141 11.818 -7.403 925 HB2 TRP 127 1HB TRP 127 2.120 14.415 -8.849 926 HB3 TRP 127 2HB TRP 127 3.653 13.886 -8.185 927 HD1 TRP 127 HD TRP 127 1.445 13.335 -11.155 928 HE1 TRP 127 1HE TRP 127 2.321 11.421 -12.746 929 HE3 TRP 127 3HE TRP 127 4.879 11.478 -7.898 930 HZ2 TRP 127 2HZ TRP 127 4.307 9.391 -12.471 931 HZ3 TRP 127 3HZ TRP 127 6.246 9.529 -8.637 932 HH2 TRP 127 HH TRP 127 6.003 8.490 -10.836 933 H GLY 128 H GLY 128 2.042 11.616 -5.093 934 HA2 GLY 128 1HA GLY 128 2.427 13.966 -3.447 935 HA3 GLY 128 2HA GLY 128 2.241 12.304 -2.923 936 H GLU 129 H GLU 129 4.227 14.183 -1.923 937 HA GLU 129 HA GLU 129 6.651 13.033 -3.057 938 HB2 GLU 129 1HB GLU 129 6.813 15.395 -3.198 939 HB3 GLU 129 2HB GLU 129 6.074 15.640 -1.628 940 HG2 GLU 129 1HG GLU 129 8.087 14.583 -0.541 941 HG3 GLU 129 2HG GLU 129 8.829 14.411 -2.120 942 H LEU 130 H LEU 130 7.758 11.536 -1.864 943 HA LEU 130 HA LEU 130 6.755 10.625 0.570 944 HB2 LEU 130 1HB LEU 130 9.442 10.226 -0.751 945 HB3 LEU 130 2HB LEU 130 8.890 9.340 0.656 946 HG LEU 130 HG LEU 130 7.343 9.335 -1.938 947 HD11 LEU 130 1HD1 LEU 130 9.808 7.816 -1.205 948 HD12 LEU 130 2HD1 LEU 130 8.523 6.971 -2.101 949 HD13 LEU 130 3HD1 LEU 130 9.266 8.438 -2.783 950 HD21 LEU 130 1HD2 LEU 130 7.243 6.928 -0.331 951 HD22 LEU 130 2HD2 LEU 130 6.770 8.357 0.620 952 HD23 LEU 130 3HD2 LEU 130 5.923 7.979 -0.900 953 H LYS 131 H LYS 131 7.106 11.177 2.679 954 HA LYS 131 HA LYS 131 8.829 13.493 3.093 955 HB2 LYS 131 1HB LYS 131 6.653 12.254 4.804 956 HB3 LYS 131 2HB LYS 131 7.618 13.639 5.275 957 HG2 LYS 131 1HG LYS 131 5.888 14.805 4.297 958 HG3 LYS 131 2HG LYS 131 6.820 14.527 2.840 959 HD2 LYS 131 1HD LYS 131 5.484 12.443 2.400 960 HD3 LYS 131 2HD LYS 131 4.535 12.760 3.839 961 HE2 LYS 131 1HE LYS 131 4.646 15.131 2.106 962 HE3 LYS 131 2HE LYS 131 4.035 13.740 1.232 963 HZ1 LYS 131 1HZ LYS 131 2.530 15.231 2.770 964 HZ2 LYS 131 2HZ LYS 131 2.222 13.646 2.523 965 HZ3 LYS 131 3HZ LYS 131 2.982 14.128 3.886 966 H THR 132 H THR 132 10.579 11.672 2.586 967 HA THR 132 HA THR 132 11.241 9.642 4.210 968 HB THR 132 HB THR 132 13.596 10.199 3.584 969 HG1 THR 132 1HG THR 132 13.992 12.366 3.370 970 HG21 THR 132 1HG2 THR 132 12.384 11.324 1.157 971 HG22 THR 132 2HG2 THR 132 13.197 9.756 1.374 972 HG23 THR 132 3HG2 THR 132 11.462 9.916 1.736 973 H SER 133 H SER 133 11.707 13.132 4.977 974 HA SER 133 HA SER 133 12.448 14.093 6.809 975 HB2 SER 133 1HB SER 133 10.190 12.296 7.582 976 HB3 SER 133 2HB SER 133 11.101 12.977 8.915 977 HG SER 133 HG SER 133 10.183 14.654 6.762 978 H GLY 134 H GLY 134 14.675 13.212 6.627 979 HA2 GLY 134 1HA GLY 134 15.626 12.116 9.016 980 HA3 GLY 134 2HA GLY 134 15.468 10.807 7.861 981 HA PRO 135 HA PRO 135 19.396 13.070 7.080 982 HB2 PRO 135 1HB PRO 135 21.189 11.193 7.933 983 HB3 PRO 135 2HB PRO 135 20.665 12.539 8.926 984 HG2 PRO 135 1HG PRO 135 19.893 9.691 9.107 985 HG3 PRO 135 2HG PRO 135 19.730 10.952 10.313 986 HD2 PRO 135 1HD PRO 135 17.645 9.872 8.666 987 HD3 PRO 135 2HD PRO 135 17.507 11.211 9.789 988 H SER 136 H SER 136 19.670 9.552 6.897 989 HA SER 136 HA SER 136 20.415 9.923 4.134 990 HB2 SER 136 1HB SER 136 21.020 8.000 6.238 991 HB3 SER 136 2HB SER 136 20.447 7.159 4.812 992 HG SER 136 HG SER 136 22.681 7.407 4.576 993 H SER 137 H SER 137 19.463 8.358 2.470 994 HA SER 137 HA SER 137 16.776 7.546 3.210 995 HB2 SER 137 1HB SER 137 17.417 9.763 1.507 996 HB3 SER 137 2HB SER 137 16.775 8.499 0.478 997 HG SER 137 HG SER 137 15.346 10.173 1.900 998 H GLY 138 H GLY 138 15.905 5.816 1.802 999 HA2 GLY 138 1HA GLY 138 16.317 4.438 -0.169 1000 HA3 GLY 138 2HA GLY 138 18.020 4.450 0.246 Start of MODEL 8 1 H1 GLY 1 H GLY 1 3.547 14.453 19.342 2 HA2 GLY 1 1HA GLY 1 2.128 15.004 16.894 3 HA3 GLY 1 2HA GLY 1 2.366 16.420 17.898 4 H SER 2 H SER 2 4.729 16.650 18.829 5 HA SER 2 HA SER 2 6.405 17.055 16.742 6 HB2 SER 2 1HB SER 2 8.168 17.375 18.408 7 HB3 SER 2 2HB SER 2 6.663 18.029 19.020 8 HG SER 2 HG SER 2 8.243 16.127 20.134 9 H SER 3 H SER 3 8.367 15.953 15.986 10 HA SER 3 HA SER 3 8.863 13.320 16.927 11 HB2 SER 3 1HB SER 3 7.677 13.745 14.152 12 HB3 SER 3 2HB SER 3 8.536 12.287 14.609 13 HG SER 3 HG SER 3 6.772 11.581 15.582 14 H GLY 4 H GLY 4 9.233 15.389 13.947 15 HA2 GLY 4 1HA GLY 4 11.952 15.968 14.420 16 HA3 GLY 4 2HA GLY 4 11.839 14.598 13.333 17 H SER 5 H SER 5 10.026 14.922 11.513 18 HA SER 5 HA SER 5 9.290 16.026 9.790 19 HB2 SER 5 1HB SER 5 8.605 17.753 11.624 20 HB3 SER 5 2HB SER 5 9.978 18.692 11.073 21 HG SER 5 HG SER 5 8.788 19.381 9.443 22 H SER 6 H SER 6 11.928 18.213 11.040 23 HA SER 6 HA SER 6 12.994 18.821 8.628 24 HB2 SER 6 1HB SER 6 15.063 19.388 9.867 25 HB3 SER 6 2HB SER 6 13.636 19.930 10.728 26 HG SER 6 HG SER 6 15.508 17.924 11.410 27 H GLY 7 H GLY 7 14.702 17.960 7.309 28 HA2 GLY 7 1HA GLY 7 16.485 16.047 7.646 29 HA3 GLY 7 2HA GLY 7 15.032 15.070 7.581 30 H SER 8 H SER 8 16.946 17.543 5.787 31 HA SER 8 HA SER 8 16.488 16.154 3.379 32 HB2 SER 8 1HB SER 8 15.264 17.861 2.149 33 HB3 SER 8 2HB SER 8 14.332 17.415 3.564 34 HG SER 8 HG SER 8 15.652 19.848 2.956 35 H TRP 9 H TRP 9 17.591 17.419 1.483 36 HA TRP 9 HA TRP 9 19.531 19.363 2.457 37 HB2 TRP 9 1HB TRP 9 20.177 16.631 2.087 38 HB3 TRP 9 2HB TRP 9 20.879 17.502 0.739 39 HD1 TRP 9 HD TRP 9 22.312 16.254 3.594 40 HE1 TRP 9 1HE TRP 9 24.108 17.739 4.833 41 HE3 TRP 9 3HE TRP 9 20.907 20.655 1.469 42 HZ2 TRP 9 2HZ TRP 9 24.725 20.525 4.786 43 HZ3 TRP 9 3HZ TRP 9 22.158 22.711 2.120 44 HH2 TRP 9 HH TRP 9 24.007 22.694 3.718 45 H ASN 10 H ASN 10 18.773 17.280 -0.438 46 HA ASN 10 HA ASN 10 17.907 19.600 -1.849 47 HB2 ASN 10 1HB ASN 10 20.573 19.268 -2.028 48 HB3 ASN 10 2HB ASN 10 20.129 18.045 -3.202 49 HD21 ASN 10 1HD2 ASN 10 20.176 21.421 -2.411 50 HD22 ASN 10 2HD2 ASN 10 19.751 22.058 -3.965 51 H GLN 11 H GLN 11 16.460 18.941 -3.529 52 HA GLN 11 HA GLN 11 15.211 17.640 -4.737 53 HB2 GLN 11 1HB GLN 11 17.714 15.944 -4.662 54 HB3 GLN 11 2HB GLN 11 16.265 15.304 -5.411 55 HG2 GLN 11 1HG GLN 11 16.277 16.889 -7.136 56 HG3 GLN 11 2HG GLN 11 17.103 18.097 -6.171 57 HE21 GLN 11 1HE2 GLN 11 19.332 17.988 -5.859 58 HE22 GLN 11 2HE2 GLN 11 20.380 17.078 -6.896 59 H ALA 12 H ALA 12 13.395 16.450 -4.209 60 HA ALA 12 HA ALA 12 13.647 14.737 -1.831 61 HB1 ALA 12 1HB ALA 12 11.954 16.998 -2.410 62 HB2 ALA 12 2HB ALA 12 10.945 15.542 -2.243 63 HB3 ALA 12 3HB ALA 12 12.042 16.020 -0.926 64 HA PRO 13 HA PRO 13 12.123 11.524 -4.290 65 HB2 PRO 13 1HB PRO 13 10.926 9.906 -2.441 66 HB3 PRO 13 2HB PRO 13 12.658 9.944 -2.702 67 HG2 PRO 13 1HG PRO 13 11.094 11.101 -0.477 68 HG3 PRO 13 2HG PRO 13 12.810 10.756 -0.549 69 HD2 PRO 13 1HD PRO 13 11.566 13.329 -0.791 70 HD3 PRO 13 2HD PRO 13 13.270 12.967 -0.978 71 H LYS 14 H LYS 14 10.511 11.057 -5.694 72 HA LYS 14 HA LYS 14 7.962 12.281 -4.918 73 HB2 LYS 14 1HB LYS 14 9.514 12.176 -7.424 74 HB3 LYS 14 2HB LYS 14 7.807 11.837 -7.623 75 HG2 LYS 14 1HG LYS 14 7.782 14.003 -5.861 76 HG3 LYS 14 2HG LYS 14 9.148 14.376 -6.893 77 HD2 LYS 14 1HD LYS 14 6.484 13.512 -8.079 78 HD3 LYS 14 2HD LYS 14 6.775 15.183 -7.641 79 HE2 LYS 14 1HE LYS 14 9.088 14.420 -9.088 80 HE3 LYS 14 2HE LYS 14 7.761 13.678 -9.960 81 HZ1 LYS 14 1HZ LYS 14 8.417 16.110 -10.414 82 HZ2 LYS 14 2HZ LYS 14 6.838 15.694 -10.402 83 HZ3 LYS 14 3HZ LYS 14 7.494 16.445 -9.109 84 H LEU 15 H LEU 15 5.970 11.132 -5.459 85 HA LEU 15 HA LEU 15 6.157 8.400 -6.268 86 HB2 LEU 15 1HB LEU 15 6.876 8.052 -4.027 87 HB3 LEU 15 2HB LEU 15 5.612 9.080 -3.383 88 HG LEU 15 HG LEU 15 5.123 6.736 -2.972 89 HD11 LEU 15 1HD1 LEU 15 3.070 7.253 -5.027 90 HD12 LEU 15 2HD1 LEU 15 2.911 6.984 -3.275 91 HD13 LEU 15 3HD1 LEU 15 3.361 8.592 -3.891 92 HD21 LEU 15 1HD2 LEU 15 4.391 5.663 -5.445 93 HD22 LEU 15 2HD2 LEU 15 5.974 6.427 -5.726 94 HD23 LEU 15 3HD2 LEU 15 5.790 5.209 -4.442 95 H HIS 16 H HIS 16 4.220 7.728 -7.153 96 HA HIS 16 HA HIS 16 2.019 9.636 -6.826 97 HB2 HIS 16 1HB HIS 16 2.937 9.730 -9.062 98 HB3 HIS 16 2HB HIS 16 2.839 7.988 -9.231 99 HD1 HIS 16 1HD HIS 16 0.468 6.938 -9.651 100 HD2 HIS 16 2HD HIS 16 0.517 11.128 -9.454 101 HE1 HIS 16 1HE HIS 16 -1.782 7.722 -10.562 102 H TYR 17 H TYR 17 -0.054 8.833 -6.386 103 HA TYR 17 HA TYR 17 -0.364 5.936 -6.290 104 HB2 TYR 17 1HB TYR 17 -1.374 6.393 -3.916 105 HB3 TYR 17 2HB TYR 17 0.373 6.473 -4.027 106 HD1 TYR 17 2HD TYR 17 -2.677 8.635 -4.125 107 HD2 TYR 17 1HD TYR 17 1.516 8.396 -3.313 108 HE1 TYR 17 2HE TYR 17 -2.719 10.994 -3.175 109 HE2 TYR 17 1HE TYR 17 1.461 10.755 -2.367 110 HH TYR 17 HH TYR 17 -0.369 12.876 -2.928 111 H CYS 18 H CYS 18 -2.462 5.259 -6.708 112 HA CYS 18 HA CYS 18 -4.340 7.441 -7.227 113 HB2 CYS 18 1HB CYS 18 -3.879 6.262 -9.250 114 HB3 CYS 18 2HB CYS 18 -4.056 4.699 -8.478 115 HG CYS 18 HG CYS 18 -6.128 6.543 -9.914 116 H LEU 19 H LEU 19 -5.807 7.668 -5.572 117 HA LEU 19 HA LEU 19 -6.371 5.343 -3.919 118 HB2 LEU 19 1HB LEU 19 -7.364 8.152 -3.502 119 HB3 LEU 19 2HB LEU 19 -7.223 6.857 -2.329 120 HG LEU 19 HG LEU 19 -5.444 8.173 -1.740 121 HD11 LEU 19 1HD1 LEU 19 -4.643 5.893 -2.214 122 HD12 LEU 19 2HD1 LEU 19 -4.185 6.406 -3.856 123 HD13 LEU 19 3HD1 LEU 19 -3.373 7.119 -2.441 124 HD21 LEU 19 1HD2 LEU 19 -4.213 9.627 -3.087 125 HD22 LEU 19 2HD2 LEU 19 -4.577 8.718 -4.573 126 HD23 LEU 19 3HD2 LEU 19 -5.850 9.682 -3.785 127 H ASP 20 H ASP 20 -8.333 4.290 -3.850 128 HA ASP 20 HA ASP 20 -10.603 5.496 -5.057 129 HB2 ASP 20 1HB ASP 20 -9.062 3.281 -6.410 130 HB3 ASP 20 2HB ASP 20 -10.812 3.221 -6.491 131 H TYR 21 H TYR 21 -12.093 4.948 -3.455 132 HA TYR 21 HA TYR 21 -11.779 2.354 -2.136 133 HB2 TYR 21 1HB TYR 21 -11.891 4.613 -0.896 134 HB3 TYR 21 2HB TYR 21 -13.493 4.853 -1.567 135 HD1 TYR 21 2HD TYR 21 -11.515 2.593 0.647 136 HD2 TYR 21 1HD TYR 21 -15.402 3.976 -0.485 137 HE1 TYR 21 2HE TYR 21 -12.536 1.369 2.628 138 HE2 TYR 21 1HE TYR 21 -16.410 2.748 1.500 139 HH TYR 21 HH TYR 21 -15.079 0.376 3.013 140 H ASP 22 H ASP 22 -12.962 0.713 -2.983 141 HA ASP 22 HA ASP 22 -15.325 1.372 -4.462 142 HB2 ASP 22 1HB ASP 22 -13.439 -0.530 -4.829 143 HB3 ASP 22 2HB ASP 22 -14.530 -1.465 -3.825 144 H CYS 23 H CYS 23 -16.755 2.099 -2.716 145 HA CYS 23 HA CYS 23 -17.143 1.023 -0.298 146 HB2 CYS 23 1HB CYS 23 -19.272 2.037 -0.255 147 HB3 CYS 23 2HB CYS 23 -18.321 3.017 -1.354 148 HG CYS 23 HG CYS 23 -19.101 1.700 -3.548 149 H GLN 24 H GLN 24 -18.163 -0.257 -3.482 150 HA GLN 24 HA GLN 24 -19.956 -2.145 -2.593 151 HB2 GLN 24 1HB GLN 24 -18.077 -2.465 -4.969 152 HB3 GLN 24 2HB GLN 24 -19.655 -3.198 -4.767 153 HG2 GLN 24 1HG GLN 24 -20.015 -0.373 -4.423 154 HG3 GLN 24 2HG GLN 24 -18.996 -0.580 -5.833 155 HE21 GLN 24 1HE2 GLN 24 -19.695 -2.335 -7.369 156 HE22 GLN 24 2HE2 GLN 24 -21.382 -2.454 -7.743 157 H LYS 25 H LYS 25 -16.373 -2.328 -3.062 158 HA LYS 25 HA LYS 25 -16.412 -4.993 -1.876 159 HB2 LYS 25 1HB LYS 25 -13.899 -3.721 -2.865 160 HB3 LYS 25 2HB LYS 25 -14.414 -5.395 -2.929 161 HG2 LYS 25 1HG LYS 25 -16.265 -4.561 -4.581 162 HG3 LYS 25 2HG LYS 25 -15.317 -3.093 -4.699 163 HD2 LYS 25 1HD LYS 25 -13.840 -4.084 -6.108 164 HD3 LYS 25 2HD LYS 25 -13.544 -5.378 -4.964 165 HE2 LYS 25 1HE LYS 25 -15.094 -6.806 -5.949 166 HE3 LYS 25 2HE LYS 25 -16.152 -5.499 -6.443 167 HZ1 LYS 25 1HZ LYS 25 -14.149 -6.757 -7.921 168 HZ2 LYS 25 2HZ LYS 25 -15.228 -5.637 -8.419 169 HZ3 LYS 25 3HZ LYS 25 -13.787 -5.168 -7.809 170 H ALA 26 H ALA 26 -16.499 -1.880 -0.800 171 HA ALA 26 HA ALA 26 -15.634 -0.757 0.935 172 HB1 ALA 26 1HB ALA 26 -16.825 -3.277 1.737 173 HB2 ALA 26 2HB ALA 26 -15.571 -2.790 2.903 174 HB3 ALA 26 3HB ALA 26 -16.916 -1.686 2.530 175 H GLU 27 H GLU 27 -13.577 -1.703 -0.831 176 HA GLU 27 HA GLU 27 -11.478 -2.038 1.155 177 HB2 GLU 27 1HB GLU 27 -11.986 -3.684 -1.319 178 HB3 GLU 27 2HB GLU 27 -10.324 -3.383 -0.852 179 HG2 GLU 27 1HG GLU 27 -12.065 -4.185 1.417 180 HG3 GLU 27 2HG GLU 27 -11.938 -5.408 0.168 181 H LEU 28 H LEU 28 -9.841 -0.546 0.950 182 HA LEU 28 HA LEU 28 -10.106 1.449 -1.058 183 HB2 LEU 28 1HB LEU 28 -9.412 1.877 1.269 184 HB3 LEU 28 2HB LEU 28 -7.931 0.985 0.987 185 HG LEU 28 HG LEU 28 -7.335 2.653 -0.795 186 HD11 LEU 28 1HD1 LEU 28 -9.359 3.602 -1.476 187 HD12 LEU 28 2HD1 LEU 28 -9.872 3.946 0.194 188 HD13 LEU 28 3HD1 LEU 28 -8.561 4.896 -0.549 189 HD21 LEU 28 1HD2 LEU 28 -6.183 2.944 1.201 190 HD22 LEU 28 2HD2 LEU 28 -6.915 4.542 0.922 191 HD23 LEU 28 3HD2 LEU 28 -7.645 3.422 2.097 192 H PHE 29 H PHE 29 -8.184 2.134 -2.445 193 HA PHE 29 HA PHE 29 -6.557 -0.138 -3.256 194 HB2 PHE 29 1HB PHE 29 -8.524 1.523 -4.927 195 HB3 PHE 29 2HB PHE 29 -7.214 0.644 -5.690 196 HD1 PHE 29 1HD PHE 29 -10.307 0.262 -3.716 197 HD2 PHE 29 2HD PHE 29 -7.340 -1.708 -6.023 198 HE1 PHE 29 1HE PHE 29 -11.729 -1.805 -3.779 199 HE2 PHE 29 2HE PHE 29 -8.762 -3.776 -6.085 200 HZ PHE 29 HZ PHE 29 -10.940 -3.800 -4.962 201 H VAL 30 H VAL 30 -4.521 0.450 -4.039 202 HA VAL 30 HA VAL 30 -4.076 3.329 -4.379 203 HB VAL 30 HB VAL 30 -2.308 1.396 -2.866 204 HG11 VAL 30 1HG1 VAL 30 -0.718 3.018 -2.697 205 HG12 VAL 30 2HG1 VAL 30 -1.434 3.538 -4.241 206 HG13 VAL 30 3HG1 VAL 30 -1.906 4.343 -2.725 207 HG21 VAL 30 1HG2 VAL 30 -4.631 2.574 -1.950 208 HG22 VAL 30 2HG2 VAL 30 -3.280 2.010 -0.937 209 HG23 VAL 30 3HG2 VAL 30 -3.375 3.720 -1.422 210 H THR 31 H THR 31 -4.429 2.635 -6.684 211 HA THR 31 HA THR 31 -2.261 1.015 -7.769 212 HB THR 31 HB THR 31 -3.691 1.297 -9.876 213 HG1 THR 31 1HG THR 31 -5.687 2.437 -9.491 214 HG21 THR 31 1HG2 THR 31 -4.273 -0.694 -8.677 215 HG22 THR 31 2HG2 THR 31 -4.898 0.228 -7.289 216 HG23 THR 31 3HG2 THR 31 -5.815 0.183 -8.814 217 H ARG 32 H ARG 32 -1.880 2.102 -10.267 218 HA ARG 32 HA ARG 32 -0.515 3.475 -11.242 219 HB2 ARG 32 1HB ARG 32 -2.000 5.657 -9.693 220 HB3 ARG 32 2HB ARG 32 -1.116 5.884 -11.189 221 HG2 ARG 32 1HG ARG 32 -3.164 3.733 -11.324 222 HG3 ARG 32 2HG ARG 32 -3.830 5.323 -11.008 223 HD2 ARG 32 1HD ARG 32 -1.926 5.796 -13.031 224 HD3 ARG 32 2HD ARG 32 -2.637 4.260 -13.486 225 HE ARG 32 HE ARG 32 -4.591 6.323 -12.709 226 HH11 ARG 32 2HH2 ARG 32 -2.801 4.839 -15.350 227 HH12 ARG 32 1HH2 ARG 32 -3.904 5.379 -16.571 228 HH21 ARG 32 2HH1 ARG 32 -6.047 7.035 -14.319 229 HH22 ARG 32 1HH1 ARG 32 -5.763 6.637 -15.981 230 H LEU 33 H LEU 33 1.105 2.434 -9.562 231 HA LEU 33 HA LEU 33 2.107 4.444 -7.700 232 HB2 LEU 33 1HB LEU 33 2.588 1.485 -8.015 233 HB3 LEU 33 2HB LEU 33 3.549 2.494 -6.953 234 HG LEU 33 HG LEU 33 0.549 2.421 -6.694 235 HD11 LEU 33 1HD1 LEU 33 1.110 0.107 -6.613 236 HD12 LEU 33 2HD1 LEU 33 2.521 0.418 -5.573 237 HD13 LEU 33 3HD1 LEU 33 0.876 0.656 -4.936 238 HD21 LEU 33 1HD2 LEU 33 1.210 2.856 -4.268 239 HD22 LEU 33 2HD2 LEU 33 2.849 3.167 -4.888 240 HD23 LEU 33 3HD2 LEU 33 1.485 4.171 -5.436 241 H GLU 34 H GLU 34 3.884 5.650 -8.134 242 HA GLU 34 HA GLU 34 5.836 4.596 -9.948 243 HB2 GLU 34 1HB GLU 34 4.180 7.064 -10.592 244 HB3 GLU 34 2HB GLU 34 5.769 6.817 -11.287 245 HG2 GLU 34 1HG GLU 34 4.565 5.738 -12.928 246 HG3 GLU 34 2HG GLU 34 4.714 4.377 -11.834 247 H ALA 35 H ALA 35 7.537 4.751 -8.518 248 HA ALA 35 HA ALA 35 7.732 7.080 -6.815 249 HB1 ALA 35 1HB ALA 35 9.731 5.817 -5.939 250 HB2 ALA 35 2HB ALA 35 8.200 4.916 -5.840 251 HB3 ALA 35 3HB ALA 35 9.374 4.537 -7.123 252 H VAL 36 H VAL 36 9.237 8.738 -7.017 253 HA VAL 36 HA VAL 36 11.054 8.534 -9.310 254 HB VAL 36 HB VAL 36 9.097 10.711 -8.613 255 HG11 VAL 36 1HG1 VAL 36 10.756 12.200 -8.976 256 HG12 VAL 36 2HG1 VAL 36 11.807 10.997 -9.762 257 HG13 VAL 36 3HG1 VAL 36 10.507 11.784 -10.689 258 HG21 VAL 36 1HG2 VAL 36 8.426 10.519 -10.919 259 HG22 VAL 36 2HG2 VAL 36 9.783 9.423 -11.275 260 HG23 VAL 36 3HG2 VAL 36 8.462 8.887 -10.209 261 H THR 37 H THR 37 12.803 8.028 -7.917 262 HA THR 37 HA THR 37 13.477 10.176 -6.014 263 HB THR 37 HB THR 37 14.572 8.445 -4.699 264 HG1 THR 37 1HG THR 37 13.806 6.692 -6.919 265 HG21 THR 37 1HG2 THR 37 12.522 6.524 -5.328 266 HG22 THR 37 2HG2 THR 37 12.573 7.642 -3.944 267 HG23 THR 37 3HG2 THR 37 11.792 8.141 -5.464 268 H SER 38 H SER 38 15.134 11.462 -6.503 269 HA SER 38 HA SER 38 16.432 11.390 -8.850 270 HB2 SER 38 1HB SER 38 18.345 12.500 -7.163 271 HB3 SER 38 2HB SER 38 17.009 13.363 -7.898 272 HG SER 38 HG SER 38 17.309 12.413 -5.231 273 H ASN 39 H ASN 39 18.318 10.729 -5.826 274 HA ASN 39 HA ASN 39 19.429 8.410 -7.187 275 HB2 ASN 39 1HB ASN 39 20.931 10.569 -7.160 276 HB3 ASN 39 2HB ASN 39 21.113 10.264 -5.444 277 HD21 ASN 39 1HD2 ASN 39 23.112 9.567 -5.214 278 HD22 ASN 39 2HD2 ASN 39 23.844 8.230 -6.038 279 H HIS 40 H HIS 40 19.878 6.638 -5.740 280 HA HIS 40 HA HIS 40 20.000 6.996 -2.950 281 HB2 HIS 40 1HB HIS 40 17.359 6.309 -4.165 282 HB3 HIS 40 2HB HIS 40 17.830 5.454 -2.709 283 HD1 HIS 40 1HD HIS 40 19.333 7.962 -1.369 284 HD2 HIS 40 2HD HIS 40 15.446 7.929 -2.948 285 HE1 HIS 40 1HE HIS 40 18.080 9.868 -0.225 286 H ASP 41 H ASP 41 21.979 5.859 -3.723 287 HA ASP 41 HA ASP 41 22.068 3.530 -5.028 288 HB2 ASP 41 1HB ASP 41 23.860 5.046 -3.618 289 HB3 ASP 41 2HB ASP 41 23.745 3.665 -2.546 290 H GLY 42 H GLY 42 22.085 1.234 -4.340 291 HA2 GLY 42 1HA GLY 42 21.612 0.345 -1.735 292 HA3 GLY 42 2HA GLY 42 20.054 0.556 -2.508 293 H GLY 43 H GLY 43 20.237 -0.241 -5.059 294 HA2 GLY 43 1HA GLY 43 20.859 -1.922 -6.511 295 HA3 GLY 43 2HA GLY 43 21.780 -2.707 -5.244 296 H CYS 44 H CYS 44 19.622 -2.585 -3.203 297 HA CYS 44 HA CYS 44 18.426 -5.019 -3.724 298 HB2 CYS 44 1HB CYS 44 17.849 -2.824 -1.735 299 HB3 CYS 44 2HB CYS 44 16.830 -4.248 -1.820 300 HG CYS 44 HG CYS 44 20.016 -3.881 -1.116 301 H ASP 45 H ASP 45 15.760 -5.057 -3.450 302 HA ASP 45 HA ASP 45 14.893 -3.713 -5.840 303 HB2 ASP 45 1HB ASP 45 13.739 -5.882 -4.052 304 HB3 ASP 45 2HB ASP 45 12.736 -5.106 -5.261 305 H CYS 46 H CYS 46 13.332 -2.027 -5.826 306 HA CYS 46 HA CYS 46 12.564 -1.097 -3.171 307 HB2 CYS 46 1HB CYS 46 12.307 1.078 -4.104 308 HB3 CYS 46 2HB CYS 46 13.827 0.447 -4.707 309 HG CYS 46 HG CYS 46 12.968 -0.362 -7.011 310 H TYR 47 H TYR 47 10.356 -0.889 -2.620 311 HA TYR 47 HA TYR 47 8.382 -1.372 -4.699 312 HB2 TYR 47 1HB TYR 47 7.404 -3.201 -3.252 313 HB3 TYR 47 2HB TYR 47 9.032 -3.613 -3.753 314 HD1 TYR 47 2HD TYR 47 10.885 -3.618 -2.142 315 HD2 TYR 47 1HD TYR 47 6.897 -2.661 -0.922 316 HE1 TYR 47 2HE TYR 47 11.545 -3.937 0.293 317 HE2 TYR 47 1HE TYR 47 7.571 -2.984 1.508 318 HH TYR 47 HH TYR 47 9.126 -3.816 2.846 319 H VAL 48 H VAL 48 6.192 -0.783 -4.028 320 HA VAL 48 HA VAL 48 6.291 1.278 -1.980 321 HB VAL 48 HB VAL 48 4.062 0.575 -3.894 322 HG11 VAL 48 1HG1 VAL 48 4.355 3.372 -3.171 323 HG12 VAL 48 2HG1 VAL 48 2.946 2.295 -3.009 324 HG13 VAL 48 3HG1 VAL 48 4.176 2.350 -1.724 325 HG21 VAL 48 1HG2 VAL 48 6.662 1.821 -4.410 326 HG22 VAL 48 2HG2 VAL 48 5.437 1.209 -5.548 327 HG23 VAL 48 3HG2 VAL 48 5.291 2.854 -4.884 328 H GLN 49 H GLN 49 4.812 1.352 -0.201 329 HA GLN 49 HA GLN 49 3.282 -1.065 0.219 330 HB2 GLN 49 1HB GLN 49 5.539 -1.395 1.292 331 HB3 GLN 49 2HB GLN 49 5.241 0.012 2.294 332 HG2 GLN 49 1HG GLN 49 2.946 -1.355 2.807 333 HG3 GLN 49 2HG GLN 49 3.983 -2.713 2.418 334 HE21 GLN 49 1HE2 GLN 49 2.945 -0.649 4.799 335 HE22 GLN 49 2HE2 GLN 49 4.166 -0.899 6.001 336 H GLY 50 H GLY 50 1.254 -0.547 0.939 337 HA2 GLY 50 1HA GLY 50 0.916 2.115 2.189 338 HA3 GLY 50 2HA GLY 50 -0.228 1.396 1.074 339 H SER 51 H SER 51 0.108 2.097 4.239 340 HA SER 51 HA SER 51 -1.211 -0.373 5.059 341 HB2 SER 51 1HB SER 51 1.054 0.223 6.136 342 HB3 SER 51 2HB SER 51 0.236 1.570 6.903 343 HG SER 51 HG SER 51 -1.345 -0.491 7.411 344 H VAL 52 H VAL 52 -3.113 -0.164 6.414 345 HA VAL 52 HA VAL 52 -4.164 2.575 6.551 346 HB VAL 52 HB VAL 52 -5.205 0.203 5.206 347 HG11 VAL 52 1HG1 VAL 52 -6.548 0.062 7.284 348 HG12 VAL 52 2HG1 VAL 52 -7.101 1.733 7.019 349 HG13 VAL 52 3HG1 VAL 52 -7.537 0.457 5.858 350 HG21 VAL 52 1HG2 VAL 52 -6.715 2.041 4.219 351 HG22 VAL 52 2HG2 VAL 52 -5.722 3.179 5.161 352 HG23 VAL 52 3HG2 VAL 52 -4.964 2.155 3.918 353 H ALA 53 H ALA 53 -5.483 3.045 8.397 354 HA ALA 53 HA ALA 53 -5.395 0.967 10.470 355 HB1 ALA 53 1HB ALA 53 -5.043 3.004 12.047 356 HB2 ALA 53 2HB ALA 53 -3.646 2.406 11.120 357 HB3 ALA 53 3HB ALA 53 -4.516 3.862 10.579 358 H ASN 54 H ASN 54 -7.477 0.399 10.852 359 HA ASN 54 HA ASN 54 -9.434 2.553 10.695 360 HB2 ASN 54 1HB ASN 54 -10.914 0.203 10.702 361 HB3 ASN 54 2HB ASN 54 -10.444 1.071 9.254 362 HD21 ASN 54 1HD2 ASN 54 -10.181 -0.610 7.909 363 HD22 ASN 54 2HD2 ASN 54 -8.980 -1.847 8.073 364 H ARG 55 H ARG 55 -11.439 2.007 12.238 365 HA ARG 55 HA ARG 55 -10.448 1.904 14.819 366 HB2 ARG 55 1HB ARG 55 -13.035 2.241 13.489 367 HB3 ARG 55 2HB ARG 55 -13.223 1.249 14.921 368 HG2 ARG 55 1HG ARG 55 -13.479 3.472 15.726 369 HG3 ARG 55 2HG ARG 55 -11.839 3.046 16.174 370 HD2 ARG 55 1HD ARG 55 -10.908 4.292 14.303 371 HD3 ARG 55 2HD ARG 55 -12.486 4.502 13.571 372 HE ARG 55 HE ARG 55 -12.867 6.316 14.994 373 HH11 ARG 55 2HH2 ARG 55 -10.295 4.332 16.348 374 HH12 ARG 55 1HH2 ARG 55 -9.941 5.440 17.631 375 HH21 ARG 55 2HH1 ARG 55 -12.400 7.779 16.686 376 HH22 ARG 55 1HH1 ARG 55 -11.146 7.414 17.824 377 H THR 56 H THR 56 -11.047 -0.594 12.547 378 HA THR 56 HA THR 56 -11.710 -2.592 14.561 379 HB THR 56 HB THR 56 -11.948 -4.041 12.532 380 HG1 THR 56 1HG THR 56 -10.616 -3.286 10.925 381 HG21 THR 56 1HG2 THR 56 -13.268 -1.321 12.614 382 HG22 THR 56 2HG2 THR 56 -13.473 -2.311 11.149 383 HG23 THR 56 3HG2 THR 56 -14.013 -2.933 12.727 384 H GLY 57 H GLY 57 -8.955 -1.339 12.739 385 HA2 GLY 57 1HA GLY 57 -7.015 -2.350 14.361 386 HA3 GLY 57 2HA GLY 57 -7.297 -3.640 13.210 387 H SER 58 H SER 58 -5.697 -3.593 11.687 388 HA SER 58 HA SER 58 -5.430 -1.169 10.179 389 HB2 SER 58 1HB SER 58 -3.027 -0.960 10.433 390 HB3 SER 58 2HB SER 58 -3.745 -0.944 12.031 391 HG SER 58 HG SER 58 -3.278 -3.351 12.038 392 H VAL 59 H VAL 59 -4.088 -1.577 8.145 393 HA VAL 59 HA VAL 59 -3.806 -4.419 7.541 394 HB VAL 59 HB VAL 59 -4.881 -3.886 5.292 395 HG11 VAL 59 1HG1 VAL 59 -6.359 -5.256 6.264 396 HG12 VAL 59 2HG1 VAL 59 -6.075 -4.542 7.870 397 HG13 VAL 59 3HG1 VAL 59 -7.252 -3.798 6.760 398 HG21 VAL 59 1HG2 VAL 59 -5.418 -1.738 4.945 399 HG22 VAL 59 2HG2 VAL 59 -6.791 -2.016 6.043 400 HG23 VAL 59 3HG2 VAL 59 -5.271 -1.337 6.673 401 H GLU 60 H GLU 60 -2.619 -4.660 5.341 402 HA GLU 60 HA GLU 60 -1.048 -2.375 4.645 403 HB2 GLU 60 1HB GLU 60 0.104 -4.724 6.155 404 HB3 GLU 60 2HB GLU 60 1.095 -3.922 4.952 405 HG2 GLU 60 1HG GLU 60 0.633 -1.715 6.104 406 HG3 GLU 60 2HG GLU 60 -0.251 -2.582 7.345 407 H ALA 61 H ALA 61 0.389 -2.875 2.707 408 HA ALA 61 HA ALA 61 0.129 -5.335 1.367 409 HB1 ALA 61 1HB ALA 61 -1.222 -3.889 -0.550 410 HB2 ALA 61 2HB ALA 61 -1.974 -5.053 0.567 411 HB3 ALA 61 3HB ALA 61 -1.988 -3.314 0.950 412 H GLN 62 H GLN 62 1.066 -5.128 -0.925 413 HA GLN 62 HA GLN 62 2.419 -2.698 -1.478 414 HB2 GLN 62 1HB GLN 62 4.726 -3.877 -1.467 415 HB3 GLN 62 2HB GLN 62 4.074 -3.361 0.075 416 HG2 GLN 62 1HG GLN 62 4.541 -5.520 0.703 417 HG3 GLN 62 2HG GLN 62 2.989 -5.861 -0.036 418 HE21 GLN 62 1HE2 GLN 62 6.388 -6.246 -0.182 419 HE22 GLN 62 2HE2 GLN 62 6.496 -7.234 -1.600 420 H THR 63 H THR 63 3.992 -3.119 -3.483 421 HA THR 63 HA THR 63 2.506 -4.920 -5.261 422 HB THR 63 HB THR 63 3.539 -3.439 -7.035 423 HG1 THR 63 1HG THR 63 5.421 -2.805 -5.809 424 HG21 THR 63 1HG2 THR 63 1.379 -2.785 -5.529 425 HG22 THR 63 2HG2 THR 63 2.477 -1.489 -4.996 426 HG23 THR 63 3HG2 THR 63 2.064 -1.653 -6.719 427 H ALA 64 H ALA 64 4.122 -5.574 -7.231 428 HA ALA 64 HA ALA 64 5.890 -7.426 -5.977 429 HB1 ALA 64 1HB ALA 64 4.610 -8.077 -7.929 430 HB2 ALA 64 2HB ALA 64 5.284 -6.730 -8.877 431 HB3 ALA 64 3HB ALA 64 6.335 -8.073 -8.368 432 H LEU 65 H LEU 65 8.119 -7.367 -5.804 433 HA LEU 65 HA LEU 65 9.411 -4.971 -5.670 434 HB2 LEU 65 1HB LEU 65 10.346 -7.798 -6.032 435 HB3 LEU 65 2HB LEU 65 11.502 -6.481 -6.016 436 HG LEU 65 HG LEU 65 11.389 -7.433 -3.822 437 HD11 LEU 65 1HD1 LEU 65 10.834 -4.704 -4.367 438 HD12 LEU 65 2HD1 LEU 65 9.899 -5.164 -2.923 439 HD13 LEU 65 3HD1 LEU 65 11.662 -5.411 -2.959 440 HD21 LEU 65 1HD2 LEU 65 9.398 -7.666 -2.514 441 HD22 LEU 65 2HD2 LEU 65 8.420 -6.844 -3.754 442 HD23 LEU 65 3HD2 LEU 65 9.121 -8.445 -4.091 443 H LYS 66 H LYS 66 11.008 -3.905 -7.022 444 HA LYS 66 HA LYS 66 11.086 -4.711 -9.796 445 HB2 LYS 66 1HB LYS 66 9.593 -2.296 -8.828 446 HB3 LYS 66 2HB LYS 66 10.471 -2.197 -10.341 447 HG2 LYS 66 1HG LYS 66 9.102 -4.698 -10.410 448 HG3 LYS 66 2HG LYS 66 7.947 -3.546 -9.770 449 HD2 LYS 66 1HD LYS 66 8.771 -2.000 -11.755 450 HD3 LYS 66 2HD LYS 66 9.384 -3.491 -12.441 451 HE2 LYS 66 1HE LYS 66 7.148 -4.502 -12.412 452 HE3 LYS 66 2HE LYS 66 6.494 -3.144 -11.518 453 HZ1 LYS 66 1HZ LYS 66 6.016 -2.380 -13.531 454 HZ2 LYS 66 2HZ LYS 66 7.589 -1.955 -13.641 455 HZ3 LYS 66 3HZ LYS 66 7.074 -3.356 -14.302 456 H LYS 67 H LYS 67 12.955 -3.973 -10.851 457 HA LYS 67 HA LYS 67 15.120 -3.391 -9.210 458 HB2 LYS 67 1HB LYS 67 16.318 -3.751 -11.074 459 HB3 LYS 67 2HB LYS 67 14.789 -4.264 -11.760 460 HG2 LYS 67 1HG LYS 67 15.767 -1.375 -11.870 461 HG3 LYS 67 2HG LYS 67 16.102 -2.541 -13.134 462 HD2 LYS 67 1HD LYS 67 13.253 -2.049 -12.196 463 HD3 LYS 67 2HD LYS 67 13.999 -0.993 -13.379 464 HE2 LYS 67 1HE LYS 67 14.591 -3.602 -14.301 465 HE3 LYS 67 2HE LYS 67 12.938 -3.710 -13.727 466 HZ1 LYS 67 1HZ LYS 67 12.244 -2.431 -15.380 467 HZ2 LYS 67 2HZ LYS 67 13.454 -1.346 -15.227 468 HZ3 LYS 67 3HZ LYS 67 13.686 -2.710 -16.093 469 H ARG 68 H ARG 68 16.135 -1.512 -8.558 470 HA ARG 68 HA ARG 68 14.611 0.728 -8.299 471 HB2 ARG 68 1HB ARG 68 16.716 1.853 -7.597 472 HB3 ARG 68 2HB ARG 68 16.622 0.237 -6.925 473 HG2 ARG 68 1HG ARG 68 17.887 -0.222 -9.365 474 HG3 ARG 68 2HG ARG 68 18.526 1.346 -8.913 475 HD2 ARG 68 1HD ARG 68 18.507 -0.361 -6.563 476 HD3 ARG 68 2HD ARG 68 19.278 -1.225 -7.879 477 HE ARG 68 HE ARG 68 20.319 1.120 -6.504 478 HH11 ARG 68 2HH2 ARG 68 20.337 -0.596 -9.576 479 HH12 ARG 68 1HH2 ARG 68 21.871 0.039 -10.068 480 HH21 ARG 68 2HH1 ARG 68 22.343 1.958 -7.152 481 HH22 ARG 68 1HH1 ARG 68 23.020 1.502 -8.679 482 H GLN 69 H GLN 69 14.238 2.569 -9.560 483 HA GLN 69 HA GLN 69 16.000 3.064 -11.777 484 HB2 GLN 69 1HB GLN 69 13.150 2.140 -12.069 485 HB3 GLN 69 2HB GLN 69 13.727 3.366 -13.181 486 HG2 GLN 69 1HG GLN 69 14.968 0.616 -12.711 487 HG3 GLN 69 2HG GLN 69 14.108 1.138 -14.146 488 HE21 GLN 69 1HE2 GLN 69 16.929 0.228 -13.514 489 HE22 GLN 69 2HE2 GLN 69 17.968 1.395 -14.262 490 H LEU 70 H LEU 70 15.691 5.258 -12.696 491 HA LEU 70 HA LEU 70 15.247 7.159 -10.734 492 HB2 LEU 70 1HB LEU 70 16.487 7.182 -13.053 493 HB3 LEU 70 2HB LEU 70 14.959 7.811 -13.637 494 HG LEU 70 HG LEU 70 16.441 9.641 -13.171 495 HD11 LEU 70 1HD1 LEU 70 14.563 9.743 -10.832 496 HD12 LEU 70 2HD1 LEU 70 14.994 11.010 -12.005 497 HD13 LEU 70 3HD1 LEU 70 13.924 9.673 -12.491 498 HD21 LEU 70 1HD2 LEU 70 17.962 8.580 -11.613 499 HD22 LEU 70 2HD2 LEU 70 17.327 10.087 -10.911 500 HD23 LEU 70 3HD2 LEU 70 16.691 8.515 -10.369 501 H HIS 71 H HIS 71 13.020 5.466 -12.877 502 HA HIS 71 HA HIS 71 10.845 6.785 -11.518 503 HB2 HIS 71 1HB HIS 71 11.223 8.244 -13.442 504 HB3 HIS 71 2HB HIS 71 11.133 6.876 -14.533 505 HD1 HIS 71 1HD HIS 71 9.089 7.915 -15.781 506 HD2 HIS 71 2HD HIS 71 8.419 7.136 -11.714 507 HE1 HIS 71 1HE HIS 71 6.571 8.119 -15.419 508 H THR 72 H THR 72 10.775 4.619 -10.559 509 HA THR 72 HA THR 72 10.279 2.383 -12.294 510 HB THR 72 HB THR 72 10.081 2.742 -9.256 511 HG1 THR 72 1HG THR 72 12.285 2.449 -9.427 512 HG21 THR 72 1HG2 THR 72 10.630 0.207 -10.870 513 HG22 THR 72 2HG2 THR 72 10.303 0.338 -9.125 514 HG23 THR 72 3HG2 THR 72 8.997 0.628 -10.300 515 H THR 73 H THR 73 8.349 1.155 -12.471 516 HA THR 73 HA THR 73 5.928 2.460 -11.491 517 HB THR 73 HB THR 73 4.960 2.372 -13.804 518 HG1 THR 73 1HG THR 73 7.758 1.715 -14.403 519 HG21 THR 73 1HG2 THR 73 6.094 4.256 -14.730 520 HG22 THR 73 2HG2 THR 73 6.416 4.414 -12.986 521 HG23 THR 73 3HG2 THR 73 7.664 3.745 -14.065 522 H TRP 74 H TRP 74 4.076 1.071 -11.402 523 HA TRP 74 HA TRP 74 4.821 -1.767 -11.625 524 HB2 TRP 74 1HB TRP 74 3.256 -0.352 -9.468 525 HB3 TRP 74 2HB TRP 74 3.191 -2.087 -9.707 526 HD1 TRP 74 HD TRP 74 5.273 -3.505 -8.797 527 HE1 TRP 74 1HE TRP 74 7.440 -3.008 -7.375 528 HE3 TRP 74 3HE TRP 74 4.988 1.559 -9.160 529 HZ2 TRP 74 2HZ TRP 74 8.762 -0.607 -6.579 530 HZ3 TRP 74 3HZ TRP 74 6.756 2.906 -8.031 531 HH2 TRP 74 HH TRP 74 8.597 1.902 -6.775 532 H GLU 75 H GLU 75 2.586 -3.102 -11.615 533 HA GLU 75 HA GLU 75 0.945 -1.758 -13.607 534 HB2 GLU 75 1HB GLU 75 1.870 -4.567 -13.220 535 HB3 GLU 75 2HB GLU 75 0.217 -4.397 -13.776 536 HG2 GLU 75 1HG GLU 75 0.950 -3.945 -15.870 537 HG3 GLU 75 2HG GLU 75 1.797 -2.529 -15.281 538 H GLU 76 H GLU 76 0.843 -3.854 -10.662 539 HA GLU 76 HA GLU 76 -1.995 -3.334 -10.475 540 HB2 GLU 76 1HB GLU 76 -2.006 -5.066 -8.742 541 HB3 GLU 76 2HB GLU 76 -1.171 -5.660 -10.164 542 HG2 GLU 76 1HG GLU 76 1.016 -5.233 -9.141 543 HG3 GLU 76 2HG GLU 76 0.274 -4.415 -7.780 544 H GLY 77 H GLY 77 -2.660 -3.125 -7.909 545 HA2 GLY 77 1HA GLY 77 -0.914 -1.038 -6.753 546 HA3 GLY 77 2HA GLY 77 -2.645 -0.815 -6.914 547 H LEU 78 H LEU 78 -2.524 -0.530 -4.495 548 HA LEU 78 HA LEU 78 -2.183 -3.064 -3.083 549 HB2 LEU 78 1HB LEU 78 -2.562 -0.315 -1.906 550 HB3 LEU 78 2HB LEU 78 -2.016 -1.767 -1.092 551 HG LEU 78 HG LEU 78 -0.516 -0.085 -3.102 552 HD11 LEU 78 1HD1 LEU 78 0.044 0.896 -1.156 553 HD12 LEU 78 2HD1 LEU 78 -0.421 -0.519 -0.180 554 HD13 LEU 78 3HD1 LEU 78 1.156 -0.486 -1.006 555 HD21 LEU 78 1HD2 LEU 78 0.158 -2.867 -2.121 556 HD22 LEU 78 2HD2 LEU 78 -0.070 -2.320 -3.800 557 HD23 LEU 78 3HD2 LEU 78 1.338 -1.761 -2.865 558 H VAL 79 H VAL 79 -3.839 -3.236 -1.116 559 HA VAL 79 HA VAL 79 -6.466 -2.276 -1.814 560 HB VAL 79 HB VAL 79 -5.908 -5.245 -1.733 561 HG11 VAL 79 1HG1 VAL 79 -8.380 -3.563 -1.993 562 HG12 VAL 79 2HG1 VAL 79 -8.306 -5.132 -2.829 563 HG13 VAL 79 3HG1 VAL 79 -8.107 -5.056 -1.062 564 HG21 VAL 79 1HG2 VAL 79 -6.445 -5.207 -4.168 565 HG22 VAL 79 2HG2 VAL 79 -6.405 -3.428 -4.113 566 HG23 VAL 79 3HG2 VAL 79 -4.932 -4.363 -3.762 567 H LEU 80 H LEU 80 -6.566 -1.232 0.176 568 HA LEU 80 HA LEU 80 -6.104 -2.911 2.528 569 HB2 LEU 80 1HB LEU 80 -6.086 0.052 2.039 570 HB3 LEU 80 2HB LEU 80 -6.296 -0.588 3.657 571 HG LEU 80 HG LEU 80 -4.095 -0.721 3.870 572 HD11 LEU 80 1HD1 LEU 80 -4.249 -2.637 1.532 573 HD12 LEU 80 2HD1 LEU 80 -2.786 -2.366 2.509 574 HD13 LEU 80 3HD1 LEU 80 -4.253 -3.028 3.268 575 HD21 LEU 80 1HD2 LEU 80 -2.704 0.420 2.468 576 HD22 LEU 80 2HD2 LEU 80 -3.409 -0.291 0.997 577 HD23 LEU 80 3HD2 LEU 80 -4.273 1.002 1.862 578 HA PRO 81 HA PRO 81 -10.435 -3.123 2.887 579 HB2 PRO 81 1HB PRO 81 -10.538 -4.684 5.128 580 HB3 PRO 81 2HB PRO 81 -10.353 -5.337 3.512 581 HG2 PRO 81 1HG PRO 81 -8.321 -5.053 5.640 582 HG3 PRO 81 2HG PRO 81 -8.279 -6.065 4.210 583 HD2 PRO 81 1HD PRO 81 -6.880 -3.592 4.605 584 HD3 PRO 81 2HD PRO 81 -6.930 -4.545 3.135 585 H LEU 82 H LEU 82 -11.815 -1.585 3.489 586 HA LEU 82 HA LEU 82 -11.625 -0.708 6.234 587 HB2 LEU 82 1HB LEU 82 -10.017 0.755 5.292 588 HB3 LEU 82 2HB LEU 82 -11.021 1.093 3.897 589 HG LEU 82 HG LEU 82 -12.688 2.139 5.556 590 HD11 LEU 82 1HD1 LEU 82 -11.875 1.295 7.633 591 HD12 LEU 82 2HD1 LEU 82 -10.241 1.932 7.325 592 HD13 LEU 82 3HD1 LEU 82 -11.592 3.053 7.621 593 HD21 LEU 82 1HD2 LEU 82 -10.412 3.161 4.194 594 HD22 LEU 82 2HD2 LEU 82 -11.921 3.999 4.629 595 HD23 LEU 82 3HD2 LEU 82 -10.540 4.012 5.752 596 H ALA 83 H ALA 83 -13.531 0.637 6.843 597 HA ALA 83 HA ALA 83 -15.796 -0.094 5.127 598 HB1 ALA 83 1HB ALA 83 -16.587 0.790 7.742 599 HB2 ALA 83 2HB ALA 83 -16.726 -0.836 7.030 600 HB3 ALA 83 3HB ALA 83 -15.256 -0.379 7.924 601 H GLU 84 H GLU 84 -17.229 1.485 4.400 602 HA GLU 84 HA GLU 84 -16.241 4.005 4.034 603 HB2 GLU 84 1HB GLU 84 -18.135 2.805 2.788 604 HB3 GLU 84 2HB GLU 84 -19.201 3.292 4.090 605 HG2 GLU 84 1HG GLU 84 -17.965 5.693 3.507 606 HG3 GLU 84 2HG GLU 84 -17.981 4.938 1.926 607 H GLU 85 H GLU 85 -17.670 2.597 6.865 608 HA GLU 85 HA GLU 85 -18.548 5.127 7.897 609 HB2 GLU 85 1HB GLU 85 -19.144 3.756 9.928 610 HB3 GLU 85 2HB GLU 85 -19.904 3.201 8.450 611 HG2 GLU 85 1HG GLU 85 -18.501 1.303 8.275 612 HG3 GLU 85 2HG GLU 85 -17.242 2.013 9.265 613 H GLU 86 H GLU 86 -15.606 3.429 7.605 614 HA GLU 86 HA GLU 86 -14.572 4.763 9.984 615 HB2 GLU 86 1HB GLU 86 -13.268 2.445 8.500 616 HB3 GLU 86 2HB GLU 86 -12.824 3.081 10.072 617 HG2 GLU 86 1HG GLU 86 -15.512 2.491 10.449 618 HG3 GLU 86 2HG GLU 86 -15.027 1.225 9.339 619 H LEU 87 H LEU 87 -14.916 5.175 6.719 620 HA LEU 87 HA LEU 87 -12.442 5.643 5.669 621 HB2 LEU 87 1HB LEU 87 -15.172 6.745 5.228 622 HB3 LEU 87 2HB LEU 87 -13.827 7.586 4.482 623 HG LEU 87 HG LEU 87 -14.332 4.624 4.118 624 HD11 LEU 87 1HD1 LEU 87 -16.114 6.445 3.286 625 HD12 LEU 87 2HD1 LEU 87 -14.971 6.523 1.923 626 HD13 LEU 87 3HD1 LEU 87 -15.725 4.972 2.365 627 HD21 LEU 87 1HD2 LEU 87 -12.021 5.774 3.701 628 HD22 LEU 87 2HD2 LEU 87 -12.679 4.623 2.514 629 HD23 LEU 87 3HD2 LEU 87 -12.805 6.374 2.220 630 HA PRO 88 HA PRO 88 -12.508 9.902 7.718 631 HB2 PRO 88 1HB PRO 88 -14.383 10.482 9.620 632 HB3 PRO 88 2HB PRO 88 -14.554 10.937 7.936 633 HG2 PRO 88 1HG PRO 88 -15.915 8.771 9.418 634 HG3 PRO 88 2HG PRO 88 -16.364 9.509 7.893 635 HD2 PRO 88 1HD PRO 88 -15.118 6.952 8.261 636 HD3 PRO 88 2HD PRO 88 -15.461 7.740 6.734 637 H THR 89 H THR 89 -13.156 7.066 9.505 638 HA THR 89 HA THR 89 -11.395 8.042 11.646 639 HB THR 89 HB THR 89 -12.544 6.515 13.053 640 HG1 THR 89 1HG THR 89 -13.739 4.716 11.933 641 HG21 THR 89 1HG2 THR 89 -14.725 7.214 12.871 642 HG22 THR 89 2HG2 THR 89 -14.177 8.141 11.454 643 HG23 THR 89 3HG2 THR 89 -14.884 6.522 11.239 644 H ALA 90 H ALA 90 -10.504 7.254 8.896 645 HA ALA 90 HA ALA 90 -8.560 5.290 9.819 646 HB1 ALA 90 1HB ALA 90 -10.057 3.812 8.755 647 HB2 ALA 90 2HB ALA 90 -10.449 4.984 7.474 648 HB3 ALA 90 3HB ALA 90 -8.861 4.180 7.489 649 H THR 91 H THR 91 -6.593 5.286 8.442 650 HA THR 91 HA THR 91 -6.380 7.544 6.614 651 HB THR 91 HB THR 91 -4.354 7.238 8.860 652 HG1 THR 91 1HG THR 91 -5.775 8.570 10.100 653 HG21 THR 91 1HG2 THR 91 -3.889 9.542 8.415 654 HG22 THR 91 2HG2 THR 91 -4.113 8.844 6.793 655 HG23 THR 91 3HG2 THR 91 -5.429 9.770 7.553 656 H LEU 92 H LEU 92 -4.886 7.260 4.986 657 HA LEU 92 HA LEU 92 -3.587 4.627 5.032 658 HB2 LEU 92 1HB LEU 92 -5.251 4.710 3.342 659 HB3 LEU 92 2HB LEU 92 -4.716 6.282 2.783 660 HG LEU 92 HG LEU 92 -4.119 4.325 1.315 661 HD11 LEU 92 1HD1 LEU 92 -2.440 5.536 0.469 662 HD12 LEU 92 2HD1 LEU 92 -2.772 6.663 1.807 663 HD13 LEU 92 3HD1 LEU 92 -1.485 5.444 1.969 664 HD21 LEU 92 1HD2 LEU 92 -3.221 3.189 3.691 665 HD22 LEU 92 2HD2 LEU 92 -2.968 2.567 2.043 666 HD23 LEU 92 3HD2 LEU 92 -1.732 3.596 2.806 667 H THR 93 H THR 93 -1.384 4.485 4.768 668 HA THR 93 HA THR 93 0.021 6.975 4.094 669 HB THR 93 HB THR 93 0.347 5.170 6.531 670 HG1 THR 93 1HG THR 93 0.413 8.061 6.057 671 HG21 THR 93 1HG2 THR 93 2.270 7.409 5.806 672 HG22 THR 93 2HG2 THR 93 2.484 6.097 6.990 673 HG23 THR 93 3HG2 THR 93 2.596 5.751 5.248 674 H LEU 94 H LEU 94 1.601 6.760 2.614 675 HA LEU 94 HA LEU 94 2.071 4.052 1.662 676 HB2 LEU 94 1HB LEU 94 2.230 6.790 0.532 677 HB3 LEU 94 2HB LEU 94 3.381 5.619 -0.081 678 HG LEU 94 HG LEU 94 1.672 4.206 -0.924 679 HD11 LEU 94 1HD1 LEU 94 -0.628 4.320 -0.442 680 HD12 LEU 94 2HD1 LEU 94 0.192 4.507 1.127 681 HD13 LEU 94 3HD1 LEU 94 -0.482 5.932 0.300 682 HD21 LEU 94 1HD2 LEU 94 0.138 6.285 -1.969 683 HD22 LEU 94 2HD2 LEU 94 1.715 7.028 -1.609 684 HD23 LEU 94 3HD2 LEU 94 1.626 5.594 -2.660 685 H THR 95 H THR 95 4.208 3.184 1.377 686 HA THR 95 HA THR 95 6.398 4.648 2.593 687 HB THR 95 HB THR 95 6.352 1.987 3.749 688 HG1 THR 95 1HG THR 95 4.295 2.572 5.007 689 HG21 THR 95 1HG2 THR 95 7.472 3.818 4.909 690 HG22 THR 95 2HG2 THR 95 5.995 4.810 4.873 691 HG23 THR 95 3HG2 THR 95 6.068 3.358 5.901 692 H LEU 96 H LEU 96 8.275 4.283 1.555 693 HA LEU 96 HA LEU 96 8.236 2.062 -0.364 694 HB2 LEU 96 1HB LEU 96 8.334 4.100 -1.526 695 HB3 LEU 96 2HB LEU 96 9.502 4.788 -0.415 696 HG LEU 96 HG LEU 96 11.099 2.925 -1.262 697 HD11 LEU 96 1HD1 LEU 96 8.849 2.758 -3.241 698 HD12 LEU 96 2HD1 LEU 96 10.525 2.481 -3.771 699 HD13 LEU 96 3HD1 LEU 96 9.814 1.461 -2.497 700 HD21 LEU 96 1HD2 LEU 96 12.106 4.519 -2.482 701 HD22 LEU 96 2HD2 LEU 96 10.670 4.803 -3.496 702 HD23 LEU 96 3HD2 LEU 96 10.786 5.555 -1.887 703 H ARG 97 H ARG 97 9.104 0.342 0.746 704 HA ARG 97 HA ARG 97 11.492 0.891 2.281 705 HB2 ARG 97 1HB ARG 97 9.504 -1.400 2.177 706 HB3 ARG 97 2HB ARG 97 11.096 -1.681 2.852 707 HG2 ARG 97 1HG ARG 97 10.406 -0.770 4.807 708 HG3 ARG 97 2HG ARG 97 10.200 0.771 3.999 709 HD2 ARG 97 1HD ARG 97 7.889 0.395 3.579 710 HD3 ARG 97 2HD ARG 97 8.037 -1.342 3.754 711 HE ARG 97 HE ARG 97 7.620 0.580 5.895 712 HH11 ARG 97 2HH2 ARG 97 9.045 -2.550 5.154 713 HH12 ARG 97 1HH2 ARG 97 8.930 -3.132 6.782 714 HH21 ARG 97 2HH1 ARG 97 7.467 -0.186 8.043 715 HH22 ARG 97 1HH1 ARG 97 8.026 -1.778 8.436 716 H THR 98 H THR 98 13.347 -0.740 2.068 717 HA THR 98 HA THR 98 13.577 -1.592 -0.743 718 HB THR 98 HB THR 98 16.078 -1.265 -0.254 719 HG1 THR 98 1HG THR 98 16.442 -0.087 1.759 720 HG21 THR 98 1HG2 THR 98 14.935 1.377 0.497 721 HG22 THR 98 2HG2 THR 98 15.956 0.944 -0.896 722 HG23 THR 98 3HG2 THR 98 14.199 0.666 -0.960 723 H CYS 99 H CYS 99 13.855 -3.693 -1.204 724 HA CYS 99 HA CYS 99 13.423 -5.620 0.688 725 HB2 CYS 99 1HB CYS 99 13.242 -5.855 -1.821 726 HB3 CYS 99 2HB CYS 99 14.985 -6.025 -1.881 727 HG CYS 99 HG CYS 99 14.571 -8.411 -1.892 728 H ASP 100 H ASP 100 14.724 -5.389 2.569 729 HA ASP 100 HA ASP 100 17.461 -6.218 2.156 730 HB2 ASP 100 1HB ASP 100 16.753 -3.549 2.792 731 HB3 ASP 100 2HB ASP 100 17.248 -4.246 4.322 732 H ARG 101 H ARG 101 18.432 -6.948 4.355 733 HA ARG 101 HA ARG 101 16.799 -8.717 5.577 734 HB2 ARG 101 1HB ARG 101 19.402 -8.385 5.692 735 HB3 ARG 101 2HB ARG 101 19.078 -7.352 7.069 736 HG2 ARG 101 1HG ARG 101 18.525 -9.115 8.435 737 HG3 ARG 101 2HG ARG 101 17.646 -9.952 7.171 738 HD2 ARG 101 1HD ARG 101 20.067 -10.357 6.140 739 HD3 ARG 101 2HD ARG 101 20.616 -10.017 7.769 740 HE ARG 101 HE ARG 101 18.586 -11.857 8.168 741 HH11 ARG 101 2HH2 ARG 101 21.484 -11.822 6.173 742 HH12 ARG 101 1HH2 ARG 101 21.696 -13.541 6.226 743 HH21 ARG 101 2HH1 ARG 101 18.865 -14.124 8.238 744 HH22 ARG 101 1HH1 ARG 101 20.196 -14.859 7.408 745 H PHE 102 H PHE 102 18.040 -5.664 7.146 746 HA PHE 102 HA PHE 102 15.594 -5.662 8.760 747 HB2 PHE 102 1HB PHE 102 18.340 -4.309 9.093 748 HB3 PHE 102 2HB PHE 102 17.046 -4.221 10.272 749 HD1 PHE 102 1HD PHE 102 16.338 -6.317 11.465 750 HD2 PHE 102 2HD PHE 102 19.810 -6.165 9.030 751 HE1 PHE 102 1HE PHE 102 17.204 -8.397 12.571 752 HE2 PHE 102 2HE PHE 102 20.676 -8.246 10.136 753 HZ PHE 102 HZ PHE 102 19.363 -9.337 11.893 754 H SER 103 H SER 103 17.737 -3.725 6.630 755 HA SER 103 HA SER 103 17.368 -1.921 5.477 756 HB2 SER 103 1HB SER 103 14.453 -1.913 6.351 757 HB3 SER 103 2HB SER 103 15.133 -1.192 4.906 758 HG SER 103 HG SER 103 14.360 -3.079 4.110 759 H ARG 104 H ARG 104 18.587 -1.460 7.814 760 HA ARG 104 HA ARG 104 17.511 -0.106 9.803 761 HB2 ARG 104 1HB ARG 104 20.132 0.293 8.325 762 HB3 ARG 104 2HB ARG 104 19.744 1.342 9.673 763 HG2 ARG 104 1HG ARG 104 19.615 -1.695 9.896 764 HG3 ARG 104 2HG ARG 104 21.088 -0.800 10.213 765 HD2 ARG 104 1HD ARG 104 19.255 0.627 11.728 766 HD3 ARG 104 2HD ARG 104 18.606 -0.997 11.848 767 HE ARG 104 HE ARG 104 21.350 -1.304 12.298 768 HH11 ARG 104 2HH2 ARG 104 18.750 0.547 13.780 769 HH12 ARG 104 1HH2 ARG 104 19.470 0.538 15.355 770 HH21 ARG 104 2HH1 ARG 104 22.300 -1.315 14.376 771 HH22 ARG 104 1HH1 ARG 104 21.503 -0.528 15.697 772 H HIS 105 H HIS 105 17.508 2.331 10.324 773 HA HIS 105 HA HIS 105 16.868 4.394 9.929 774 HB2 HIS 105 1HB HIS 105 18.271 3.713 7.423 775 HB3 HIS 105 2HB HIS 105 17.119 5.024 7.272 776 HD1 HIS 105 1HD HIS 105 18.100 7.269 7.718 777 HD2 HIS 105 2HD HIS 105 20.066 4.246 9.861 778 HE1 HIS 105 1HE HIS 105 20.000 8.409 8.983 779 H SER 106 H SER 106 15.018 5.652 9.080 780 HA SER 106 HA SER 106 12.748 4.167 8.970 781 HB2 SER 106 1HB SER 106 11.785 6.347 7.852 782 HB3 SER 106 2HB SER 106 12.407 6.418 9.489 783 HG SER 106 HG SER 106 13.149 7.997 7.575 784 H VAL 107 H VAL 107 11.074 4.281 7.030 785 HA VAL 107 HA VAL 107 11.987 2.691 4.998 786 HB VAL 107 HB VAL 107 9.896 3.083 3.957 787 HG11 VAL 107 1HG1 VAL 107 10.117 2.306 6.564 788 HG12 VAL 107 2HG1 VAL 107 8.932 3.628 6.698 789 HG13 VAL 107 3HG1 VAL 107 8.611 2.251 5.617 790 HG21 VAL 107 1HG2 VAL 107 8.951 5.093 3.750 791 HG22 VAL 107 2HG2 VAL 107 8.815 5.265 5.516 792 HG23 VAL 107 3HG2 VAL 107 10.303 5.776 4.684 793 H ALA 108 H ALA 108 11.899 3.311 2.554 794 HA ALA 108 HA ALA 108 13.941 5.245 2.157 795 HB1 ALA 108 1HB ALA 108 14.082 4.318 0.054 796 HB2 ALA 108 2HB ALA 108 13.225 2.995 0.881 797 HB3 ALA 108 3HB ALA 108 12.317 4.159 -0.114 798 H GLY 109 H GLY 109 10.519 5.402 2.509 799 HA2 GLY 109 1HA GLY 109 10.343 8.145 2.292 800 HA3 GLY 109 2HA GLY 109 9.974 7.529 0.694 801 H GLU 110 H GLU 110 8.507 8.579 3.427 802 HA GLU 110 HA GLU 110 6.360 6.619 3.170 803 HB2 GLU 110 1HB GLU 110 7.027 6.414 5.405 804 HB3 GLU 110 2HB GLU 110 7.463 8.106 5.548 805 HG2 GLU 110 1HG GLU 110 5.019 8.718 5.410 806 HG3 GLU 110 2HG GLU 110 4.616 7.014 5.348 807 H LEU 111 H LEU 111 4.222 7.383 2.867 808 HA LEU 111 HA LEU 111 3.973 10.295 2.612 809 HB2 LEU 111 1HB LEU 111 3.978 8.414 0.506 810 HB3 LEU 111 2HB LEU 111 2.311 8.911 0.718 811 HG LEU 111 HG LEU 111 4.371 11.067 0.632 812 HD11 LEU 111 1HD1 LEU 111 3.811 10.848 -2.018 813 HD12 LEU 111 2HD1 LEU 111 5.292 10.238 -1.242 814 HD13 LEU 111 3HD1 LEU 111 3.931 9.134 -1.553 815 HD21 LEU 111 1HD2 LEU 111 2.549 12.174 -0.700 816 HD22 LEU 111 2HD2 LEU 111 1.537 10.747 -0.376 817 HD23 LEU 111 3HD2 LEU 111 2.117 11.751 0.974 818 H ARG 112 H ARG 112 1.782 11.108 2.947 819 HA ARG 112 HA ARG 112 0.186 9.172 4.426 820 HB2 ARG 112 1HB ARG 112 0.996 10.682 6.087 821 HB3 ARG 112 2HB ARG 112 0.857 12.073 5.029 822 HG2 ARG 112 1HG ARG 112 -0.951 12.174 6.661 823 HG3 ARG 112 2HG ARG 112 -1.651 11.839 5.089 824 HD2 ARG 112 1HD ARG 112 -2.714 10.117 6.165 825 HD3 ARG 112 2HD ARG 112 -1.190 9.272 5.983 826 HE ARG 112 HE ARG 112 -0.987 9.349 8.298 827 HH11 ARG 112 2HH2 ARG 112 -2.859 12.144 7.263 828 HH12 ARG 112 1HH2 ARG 112 -3.101 12.738 8.872 829 HH21 ARG 112 2HH1 ARG 112 -1.306 10.133 10.421 830 HH22 ARG 112 1HH1 ARG 112 -2.211 11.586 10.680 831 H LEU 113 H LEU 113 -2.151 9.375 4.205 832 HA LEU 113 HA LEU 113 -3.140 11.404 2.398 833 HB2 LEU 113 1HB LEU 113 -3.525 8.488 1.727 834 HB3 LEU 113 2HB LEU 113 -4.093 9.876 0.821 835 HG LEU 113 HG LEU 113 -1.157 9.291 1.257 836 HD11 LEU 113 1HD1 LEU 113 -3.046 8.268 -0.849 837 HD12 LEU 113 2HD1 LEU 113 -1.321 8.521 -1.210 838 HD13 LEU 113 3HD1 LEU 113 -1.804 7.396 0.082 839 HD21 LEU 113 1HD2 LEU 113 -0.700 10.929 -0.321 840 HD22 LEU 113 2HD2 LEU 113 -2.349 10.894 -0.991 841 HD23 LEU 113 3HD2 LEU 113 -2.051 11.632 0.601 842 H GLY 114 H GLY 114 -5.667 10.978 2.137 843 HA2 GLY 114 1HA GLY 114 -6.687 9.958 4.717 844 HA3 GLY 114 2HA GLY 114 -7.156 11.528 4.095 845 H LEU 115 H LEU 115 -8.607 8.805 4.583 846 HA LEU 115 HA LEU 115 -9.597 8.382 1.864 847 HB2 LEU 115 1HB LEU 115 -10.333 6.707 4.236 848 HB3 LEU 115 2HB LEU 115 -10.315 6.282 2.537 849 HG LEU 115 HG LEU 115 -8.456 5.157 3.150 850 HD11 LEU 115 1HD1 LEU 115 -6.666 6.150 2.201 851 HD12 LEU 115 2HD1 LEU 115 -7.855 7.407 1.786 852 HD13 LEU 115 3HD1 LEU 115 -6.800 7.613 3.205 853 HD21 LEU 115 1HD2 LEU 115 -8.764 5.687 5.544 854 HD22 LEU 115 2HD2 LEU 115 -7.051 5.621 5.064 855 HD23 LEU 115 3HD2 LEU 115 -7.846 7.194 5.309 856 H ASP 116 H ASP 116 -10.122 10.681 3.943 857 HA ASP 116 HA ASP 116 -12.919 10.290 4.414 858 HB2 ASP 116 1HB ASP 116 -12.811 12.359 5.637 859 HB3 ASP 116 2HB ASP 116 -11.336 11.489 6.009 860 H GLY 117 H GLY 117 -10.743 11.671 2.033 861 HA2 GLY 117 1HA GLY 117 -11.409 12.309 -0.099 862 HA3 GLY 117 2HA GLY 117 -13.023 12.657 0.488 863 H THR 118 H THR 118 -9.921 13.730 1.985 864 HA THR 118 HA THR 118 -10.671 16.491 1.278 865 HB THR 118 HB THR 118 -9.751 15.214 3.880 866 HG1 THR 118 1HG THR 118 -11.629 16.451 4.515 867 HG21 THR 118 1HG2 THR 118 -8.329 17.338 3.176 868 HG22 THR 118 2HG2 THR 118 -9.850 18.221 3.447 869 HG23 THR 118 3HG2 THR 118 -9.098 17.314 4.781 870 H SER 119 H SER 119 -7.752 15.095 2.861 871 HA SER 119 HA SER 119 -5.954 16.664 1.722 872 HB2 SER 119 1HB SER 119 -5.716 13.676 2.273 873 HB3 SER 119 2HB SER 119 -4.336 14.693 1.907 874 HG SER 119 HG SER 119 -4.435 15.630 3.864 875 H VAL 120 H VAL 120 -6.986 13.457 0.334 876 HA VAL 120 HA VAL 120 -6.401 14.558 -2.314 877 HB VAL 120 HB VAL 120 -5.600 12.118 -2.790 878 HG11 VAL 120 1HG1 VAL 120 -3.361 12.838 -2.643 879 HG12 VAL 120 2HG1 VAL 120 -4.304 14.334 -2.849 880 HG13 VAL 120 3HG1 VAL 120 -3.694 13.880 -1.239 881 HG21 VAL 120 1HG2 VAL 120 -4.324 11.169 -0.861 882 HG22 VAL 120 2HG2 VAL 120 -5.115 12.362 0.196 883 HG23 VAL 120 3HG2 VAL 120 -6.090 11.132 -0.643 884 HA PRO 121 HA PRO 121 -10.335 12.894 -3.038 885 HB2 PRO 121 1HB PRO 121 -10.462 13.219 -5.748 886 HB3 PRO 121 2HB PRO 121 -10.798 14.510 -4.611 887 HG2 PRO 121 1HG PRO 121 -8.401 14.098 -6.291 888 HG3 PRO 121 2HG PRO 121 -8.942 15.559 -5.489 889 HD2 PRO 121 1HD PRO 121 -6.819 13.824 -4.646 890 HD3 PRO 121 2HD PRO 121 -7.437 15.219 -3.784 891 H LEU 122 H LEU 122 -11.564 11.254 -4.428 892 HA LEU 122 HA LEU 122 -9.769 8.955 -4.552 893 HB2 LEU 122 1HB LEU 122 -12.762 9.240 -4.339 894 HB3 LEU 122 2HB LEU 122 -11.978 7.710 -4.677 895 HG LEU 122 HG LEU 122 -11.374 9.371 -2.220 896 HD11 LEU 122 1HD1 LEU 122 -12.789 7.268 -1.261 897 HD12 LEU 122 2HD1 LEU 122 -13.481 8.871 -1.609 898 HD13 LEU 122 3HD1 LEU 122 -13.634 7.557 -2.801 899 HD21 LEU 122 1HD2 LEU 122 -9.635 7.960 -2.152 900 HD22 LEU 122 2HD2 LEU 122 -10.835 6.766 -1.602 901 HD23 LEU 122 3HD2 LEU 122 -10.369 6.833 -3.319 902 H GLY 123 H GLY 123 -9.971 7.437 -6.393 903 HA2 GLY 123 1HA GLY 123 -9.866 7.026 -8.600 904 HA3 GLY 123 2HA GLY 123 -11.344 7.958 -8.739 905 H ALA 124 H ALA 124 -8.524 9.567 -7.364 906 HA ALA 124 HA ALA 124 -8.064 10.879 -9.955 907 HB1 ALA 124 1HB ALA 124 -9.182 11.999 -7.607 908 HB2 ALA 124 2HB ALA 124 -7.508 12.598 -7.688 909 HB3 ALA 124 3HB ALA 124 -8.615 12.863 -9.056 910 H ALA 125 H ALA 125 -6.157 9.911 -10.572 911 HA ALA 125 HA ALA 125 -4.174 9.193 -8.667 912 HB1 ALA 125 1HB ALA 125 -4.695 8.937 -11.546 913 HB2 ALA 125 2HB ALA 125 -2.977 9.229 -11.181 914 HB3 ALA 125 3HB ALA 125 -3.821 7.846 -10.444 915 H GLN 126 H GLN 126 -2.874 10.604 -7.617 916 HA GLN 126 HA GLN 126 -1.910 12.861 -9.175 917 HB2 GLN 126 1HB GLN 126 -2.067 14.190 -6.933 918 HB3 GLN 126 2HB GLN 126 -3.525 13.977 -7.882 919 HG2 GLN 126 1HG GLN 126 -3.117 11.715 -6.053 920 HG3 GLN 126 2HG GLN 126 -3.141 13.234 -5.180 921 HE21 GLN 126 1HE2 GLN 126 -5.094 11.451 -4.732 922 HE22 GLN 126 2HE2 GLN 126 -6.611 11.972 -5.385 923 H TRP 127 H TRP 127 0.216 13.641 -8.527 924 HA TRP 127 HA TRP 127 1.824 11.531 -7.432 925 HB2 TRP 127 1HB TRP 127 2.374 14.220 -8.657 926 HB3 TRP 127 2HB TRP 127 3.638 13.336 -7.824 927 HD1 TRP 127 HD TRP 127 1.191 12.734 -10.810 928 HE1 TRP 127 1HE TRP 127 2.302 11.160 -12.613 929 HE3 TRP 127 3HE TRP 127 5.441 11.833 -8.169 930 HZ2 TRP 127 2HZ TRP 127 4.778 9.747 -12.730 931 HZ3 TRP 127 3HZ TRP 127 7.155 10.345 -9.200 932 HH2 TRP 127 HH TRP 127 6.877 9.316 -11.399 933 H GLY 128 H GLY 128 3.475 12.100 -5.658 934 HA2 GLY 128 1HA GLY 128 2.777 14.229 -3.851 935 HA3 GLY 128 2HA GLY 128 2.290 12.647 -3.275 936 H GLU 129 H GLU 129 4.618 14.808 -2.769 937 HA GLU 129 HA GLU 129 6.959 13.331 -3.247 938 HB2 GLU 129 1HB GLU 129 7.319 15.640 -3.063 939 HB3 GLU 129 2HB GLU 129 6.243 15.812 -1.690 940 HG2 GLU 129 1HG GLU 129 7.871 14.630 -0.232 941 HG3 GLU 129 2HG GLU 129 8.934 14.368 -1.600 942 H LEU 130 H LEU 130 8.128 11.928 -1.910 943 HA LEU 130 HA LEU 130 6.633 10.758 0.233 944 HB2 LEU 130 1HB LEU 130 9.330 10.193 -0.992 945 HB3 LEU 130 2HB LEU 130 8.698 9.300 0.377 946 HG LEU 130 HG LEU 130 7.125 9.511 -2.186 947 HD11 LEU 130 1HD1 LEU 130 8.282 7.055 -2.379 948 HD12 LEU 130 2HD1 LEU 130 8.835 8.511 -3.241 949 HD13 LEU 130 3HD1 LEU 130 9.626 8.020 -1.724 950 HD21 LEU 130 1HD2 LEU 130 6.917 6.996 -0.844 951 HD22 LEU 130 2HD2 LEU 130 6.692 8.300 0.347 952 HD23 LEU 130 3HD2 LEU 130 5.668 8.237 -1.107 953 H LYS 131 H LYS 131 6.874 11.057 2.412 954 HA LYS 131 HA LYS 131 8.709 13.182 3.177 955 HB2 LYS 131 1HB LYS 131 6.471 11.866 4.745 956 HB3 LYS 131 2HB LYS 131 7.393 13.272 5.237 957 HG2 LYS 131 1HG LYS 131 5.919 13.256 2.581 958 HG3 LYS 131 2HG LYS 131 5.065 13.623 4.066 959 HD2 LYS 131 1HD LYS 131 5.855 15.745 4.021 960 HD3 LYS 131 2HD LYS 131 7.502 15.151 4.094 961 HE2 LYS 131 1HE LYS 131 7.857 15.504 1.859 962 HE3 LYS 131 2HE LYS 131 6.304 14.827 1.410 963 HZ1 LYS 131 1HZ LYS 131 5.736 16.914 1.028 964 HZ2 LYS 131 2HZ LYS 131 5.661 17.134 2.645 965 HZ3 LYS 131 3HZ LYS 131 7.016 17.538 1.827 966 H THR 132 H THR 132 10.447 11.427 2.590 967 HA THR 132 HA THR 132 10.935 9.158 3.934 968 HB THR 132 HB THR 132 13.342 9.726 3.585 969 HG1 THR 132 1HG THR 132 12.102 12.344 3.093 970 HG21 THR 132 1HG2 THR 132 12.229 11.256 1.296 971 HG22 THR 132 2HG2 THR 132 13.185 9.755 1.289 972 HG23 THR 132 3HG2 THR 132 11.426 9.689 1.555 973 H SER 133 H SER 133 11.454 12.477 5.251 974 HA SER 133 HA SER 133 12.481 11.479 7.670 975 HB2 SER 133 1HB SER 133 12.055 13.872 8.457 976 HB3 SER 133 2HB SER 133 13.091 13.707 7.054 977 HG SER 133 HG SER 133 11.557 14.561 5.742 978 H GLY 134 H GLY 134 11.378 10.650 9.414 979 HA2 GLY 134 1HA GLY 134 9.393 11.295 10.869 980 HA3 GLY 134 2HA GLY 134 8.445 10.982 9.429 981 HA PRO 135 HA PRO 135 9.411 7.050 11.749 982 HB2 PRO 135 1HB PRO 135 7.287 6.805 13.451 983 HB3 PRO 135 2HB PRO 135 8.851 7.417 13.952 984 HG2 PRO 135 1HG PRO 135 6.347 8.910 13.461 985 HG3 PRO 135 2HG PRO 135 7.770 9.415 14.351 986 HD2 PRO 135 1HD PRO 135 7.023 10.229 11.704 987 HD3 PRO 135 2HD PRO 135 8.501 10.641 12.549 988 H SER 136 H SER 136 8.375 4.926 11.563 989 HA SER 136 HA SER 136 6.465 5.148 9.386 990 HB2 SER 136 1HB SER 136 8.429 3.858 8.803 991 HB3 SER 136 2HB SER 136 8.328 2.911 10.274 992 HG SER 136 HG SER 136 6.404 1.913 9.502 993 H SER 137 H SER 137 4.349 5.002 10.042 994 HA SER 137 HA SER 137 3.346 2.770 11.238 995 HB2 SER 137 1HB SER 137 4.649 4.264 13.194 996 HB3 SER 137 2HB SER 137 2.989 4.803 13.360 997 HG SER 137 HG SER 137 3.346 2.007 13.088 998 H GLY 138 H GLY 138 1.123 2.787 10.858 999 HA2 GLY 138 1HA GLY 138 0.003 5.009 9.496 1000 HA3 GLY 138 2HA GLY 138 -0.818 3.545 10.002 Start of MODEL 9 1 H1 GLY 1 H GLY 1 7.684 7.829 21.276 2 HA2 GLY 1 1HA GLY 1 6.768 10.005 20.773 3 HA3 GLY 1 2HA GLY 1 8.454 10.164 21.224 4 H SER 2 H SER 2 10.041 10.727 19.659 5 HA SER 2 HA SER 2 9.112 10.995 16.942 6 HB2 SER 2 1HB SER 2 8.718 13.178 18.338 7 HB3 SER 2 2HB SER 2 10.459 13.367 18.271 8 HG SER 2 HG SER 2 8.662 13.163 16.008 9 H SER 3 H SER 3 10.991 11.473 15.425 10 HA SER 3 HA SER 3 13.379 10.268 16.560 11 HB2 SER 3 1HB SER 3 12.078 9.354 14.459 12 HB3 SER 3 2HB SER 3 12.873 10.655 13.597 13 HG SER 3 HG SER 3 14.628 9.448 13.519 14 H GLY 4 H GLY 4 12.431 12.756 14.067 15 HA2 GLY 4 1HA GLY 4 13.418 15.018 14.827 16 HA3 GLY 4 2HA GLY 4 14.943 14.180 14.624 17 H SER 5 H SER 5 15.317 15.937 12.967 18 HA SER 5 HA SER 5 13.735 16.036 10.678 19 HB2 SER 5 1HB SER 5 15.703 17.597 11.703 20 HB3 SER 5 2HB SER 5 16.646 16.740 10.500 21 HG SER 5 HG SER 5 15.268 17.497 8.848 22 H SER 6 H SER 6 14.588 15.482 8.398 23 HA SER 6 HA SER 6 15.637 12.791 8.539 24 HB2 SER 6 1HB SER 6 14.910 12.716 6.104 25 HB3 SER 6 2HB SER 6 13.614 12.963 7.257 26 HG SER 6 HG SER 6 13.283 14.476 5.633 27 H GLY 7 H GLY 7 16.056 15.787 6.504 28 HA2 GLY 7 1HA GLY 7 18.642 16.314 6.699 29 HA3 GLY 7 2HA GLY 7 18.709 14.875 5.702 30 H SER 8 H SER 8 17.453 14.855 3.624 31 HA SER 8 HA SER 8 16.937 15.718 1.702 32 HB2 SER 8 1HB SER 8 15.401 17.527 1.587 33 HB3 SER 8 2HB SER 8 15.109 16.801 3.155 34 HG SER 8 HG SER 8 15.329 18.862 3.785 35 H TRP 9 H TRP 9 17.381 17.718 0.137 36 HA TRP 9 HA TRP 9 19.564 19.392 0.970 37 HB2 TRP 9 1HB TRP 9 20.024 16.931 -0.611 38 HB3 TRP 9 2HB TRP 9 20.786 18.388 -1.218 39 HD1 TRP 9 HD TRP 9 21.680 15.629 0.917 40 HE1 TRP 9 1HE TRP 9 23.595 16.135 2.660 41 HE3 TRP 9 3HE TRP 9 21.395 20.692 0.551 42 HZ2 TRP 9 2HZ TRP 9 24.750 18.542 3.668 43 HZ3 TRP 9 3HZ TRP 9 22.952 22.047 1.949 44 HH2 TRP 9 HH TRP 9 24.587 21.051 3.467 45 H ASN 10 H ASN 10 18.363 17.947 -2.148 46 HA ASN 10 HA ASN 10 17.297 20.579 -2.772 47 HB2 ASN 10 1HB ASN 10 19.504 19.206 -4.090 48 HB3 ASN 10 2HB ASN 10 18.169 19.335 -5.217 49 HD21 ASN 10 1HD2 ASN 10 20.488 21.032 -3.263 50 HD22 ASN 10 2HD2 ASN 10 20.294 22.611 -3.948 51 H GLN 11 H GLN 11 17.688 17.418 -4.541 52 HA GLN 11 HA GLN 11 15.064 17.455 -5.467 53 HB2 GLN 11 1HB GLN 11 17.245 15.356 -5.355 54 HB3 GLN 11 2HB GLN 11 15.647 14.927 -5.932 55 HG2 GLN 11 1HG GLN 11 16.712 15.566 -7.926 56 HG3 GLN 11 2HG GLN 11 15.882 17.044 -7.481 57 HE21 GLN 11 1HE2 GLN 11 17.489 18.032 -8.860 58 HE22 GLN 11 2HE2 GLN 11 19.041 18.465 -8.224 59 H ALA 12 H ALA 12 13.506 15.485 -5.067 60 HA ALA 12 HA ALA 12 13.620 14.541 -2.323 61 HB1 ALA 12 1HB ALA 12 10.943 15.475 -2.836 62 HB2 ALA 12 2HB ALA 12 12.060 15.949 -1.534 63 HB3 ALA 12 3HB ALA 12 12.083 16.818 -3.086 64 HA PRO 13 HA PRO 13 11.870 11.100 -4.275 65 HB2 PRO 13 1HB PRO 13 10.810 9.750 -2.148 66 HB3 PRO 13 2HB PRO 13 12.513 9.706 -2.559 67 HG2 PRO 13 1HG PRO 13 11.173 11.165 -0.365 68 HG3 PRO 13 2HG PRO 13 12.870 10.763 -0.541 69 HD2 PRO 13 1HD PRO 13 11.658 13.324 -0.985 70 HD3 PRO 13 2HD PRO 13 13.332 12.893 -1.272 71 H LYS 14 H LYS 14 10.193 10.766 -5.594 72 HA LYS 14 HA LYS 14 7.672 11.886 -4.586 73 HB2 LYS 14 1HB LYS 14 9.087 12.119 -7.146 74 HB3 LYS 14 2HB LYS 14 7.412 11.643 -7.333 75 HG2 LYS 14 1HG LYS 14 7.186 13.616 -5.407 76 HG3 LYS 14 2HG LYS 14 8.552 14.207 -6.331 77 HD2 LYS 14 1HD LYS 14 5.878 13.377 -7.555 78 HD3 LYS 14 2HD LYS 14 6.324 15.032 -7.187 79 HE2 LYS 14 1HE LYS 14 8.343 13.550 -8.804 80 HE3 LYS 14 2HE LYS 14 6.801 13.775 -9.606 81 HZ1 LYS 14 1HZ LYS 14 8.385 15.608 -9.912 82 HZ2 LYS 14 2HZ LYS 14 6.964 16.097 -9.274 83 HZ3 LYS 14 3HZ LYS 14 8.283 15.960 -8.321 84 H LEU 15 H LEU 15 5.741 10.672 -4.836 85 HA LEU 15 HA LEU 15 6.064 7.965 -5.859 86 HB2 LEU 15 1HB LEU 15 6.544 7.501 -3.645 87 HB3 LEU 15 2HB LEU 15 5.438 8.713 -3.030 88 HG LEU 15 HG LEU 15 3.521 7.343 -3.564 89 HD11 LEU 15 1HD1 LEU 15 4.837 6.332 -5.628 90 HD12 LEU 15 2HD1 LEU 15 5.178 5.028 -4.466 91 HD13 LEU 15 3HD1 LEU 15 3.495 5.458 -4.852 92 HD21 LEU 15 1HD2 LEU 15 4.880 6.958 -1.450 93 HD22 LEU 15 2HD2 LEU 15 3.777 5.651 -1.943 94 HD23 LEU 15 3HD2 LEU 15 5.524 5.503 -2.250 95 H HIS 16 H HIS 16 4.464 7.615 -7.295 96 HA HIS 16 HA HIS 16 2.159 9.364 -7.161 97 HB2 HIS 16 1HB HIS 16 3.554 8.911 -9.263 98 HB3 HIS 16 2HB HIS 16 2.800 7.330 -9.301 99 HD1 HIS 16 1HD HIS 16 1.111 7.422 -11.142 100 HD2 HIS 16 2HD HIS 16 1.019 10.860 -8.740 101 HE1 HIS 16 1HE HIS 16 -0.835 8.837 -11.992 102 H TYR 17 H TYR 17 0.031 8.661 -6.837 103 HA TYR 17 HA TYR 17 -0.521 5.846 -6.658 104 HB2 TYR 17 1HB TYR 17 -1.324 6.254 -4.211 105 HB3 TYR 17 2HB TYR 17 0.414 6.204 -4.424 106 HD1 TYR 17 1HD TYR 17 -2.479 8.389 -3.765 107 HD2 TYR 17 2HD TYR 17 1.778 8.200 -4.146 108 HE1 TYR 17 1HE TYR 17 -2.274 10.688 -2.699 109 HE2 TYR 17 2HE TYR 17 1.968 10.499 -3.078 110 HH TYR 17 HH TYR 17 -0.320 12.611 -2.931 111 H CYS 18 H CYS 18 -2.662 5.447 -7.109 112 HA CYS 18 HA CYS 18 -4.348 7.835 -7.272 113 HB2 CYS 18 1HB CYS 18 -3.779 6.510 -9.399 114 HB3 CYS 18 2HB CYS 18 -4.817 5.247 -8.768 115 HG CYS 18 HG CYS 18 -6.916 6.188 -9.335 116 H LEU 19 H LEU 19 -5.448 7.905 -5.310 117 HA LEU 19 HA LEU 19 -6.190 5.495 -3.969 118 HB2 LEU 19 1HB LEU 19 -7.053 8.328 -3.388 119 HB3 LEU 19 2HB LEU 19 -7.111 6.954 -2.301 120 HG LEU 19 HG LEU 19 -5.213 7.846 -1.491 121 HD11 LEU 19 1HD1 LEU 19 -4.590 5.698 -2.735 122 HD12 LEU 19 2HD1 LEU 19 -3.825 6.762 -3.940 123 HD13 LEU 19 3HD1 LEU 19 -3.266 6.784 -2.250 124 HD21 LEU 19 1HD2 LEU 19 -5.548 9.830 -3.076 125 HD22 LEU 19 2HD2 LEU 19 -3.904 9.524 -2.468 126 HD23 LEU 19 3HD2 LEU 19 -4.346 9.037 -4.122 127 H ASP 20 H ASP 20 -8.033 4.327 -4.176 128 HA ASP 20 HA ASP 20 -10.359 5.664 -5.208 129 HB2 ASP 20 1HB ASP 20 -9.087 3.227 -6.537 130 HB3 ASP 20 2HB ASP 20 -10.726 3.754 -6.865 131 H TYR 21 H TYR 21 -11.867 5.070 -3.640 132 HA TYR 21 HA TYR 21 -11.543 2.481 -2.335 133 HB2 TYR 21 1HB TYR 21 -11.829 4.736 -1.122 134 HB3 TYR 21 2HB TYR 21 -13.398 4.902 -1.884 135 HD1 TYR 21 1HD TYR 21 -11.457 2.707 0.432 136 HD2 TYR 21 2HD TYR 21 -15.323 3.985 -0.880 137 HE1 TYR 21 1HE TYR 21 -12.535 1.451 2.362 138 HE2 TYR 21 2HE TYR 21 -16.388 2.726 1.055 139 HH TYR 21 HH TYR 21 -14.946 0.386 2.691 140 H ASP 22 H ASP 22 -12.684 0.758 -3.051 141 HA ASP 22 HA ASP 22 -14.967 1.294 -4.724 142 HB2 ASP 22 1HB ASP 22 -12.993 -0.508 -5.007 143 HB3 ASP 22 2HB ASP 22 -14.036 -1.485 -3.993 144 H CYS 23 H CYS 23 -16.497 1.986 -3.043 145 HA CYS 23 HA CYS 23 -16.952 0.933 -0.634 146 HB2 CYS 23 1HB CYS 23 -19.119 1.848 -0.705 147 HB3 CYS 23 2HB CYS 23 -18.179 2.841 -1.801 148 HG CYS 23 HG CYS 23 -20.150 0.272 -2.498 149 H GLN 24 H GLN 24 -17.682 -0.486 -3.826 150 HA GLN 24 HA GLN 24 -19.453 -2.430 -3.009 151 HB2 GLN 24 1HB GLN 24 -17.402 -2.824 -5.216 152 HB3 GLN 24 2HB GLN 24 -19.026 -3.475 -5.129 153 HG2 GLN 24 1HG GLN 24 -19.333 -0.652 -4.909 154 HG3 GLN 24 2HG GLN 24 -18.133 -0.892 -6.165 155 HE21 GLN 24 1HE2 GLN 24 -19.527 -0.186 -7.758 156 HE22 GLN 24 2HE2 GLN 24 -20.842 -1.136 -8.364 157 H LYS 25 H LYS 25 -15.839 -2.503 -3.290 158 HA LYS 25 HA LYS 25 -15.799 -5.145 -2.110 159 HB2 LYS 25 1HB LYS 25 -13.364 -3.503 -2.760 160 HB3 LYS 25 2HB LYS 25 -13.557 -5.244 -2.755 161 HG2 LYS 25 1HG LYS 25 -15.365 -4.746 -4.658 162 HG3 LYS 25 2HG LYS 25 -14.483 -3.240 -4.823 163 HD2 LYS 25 1HD LYS 25 -12.654 -4.261 -5.760 164 HD3 LYS 25 2HD LYS 25 -12.718 -5.619 -4.655 165 HE2 LYS 25 1HE LYS 25 -14.344 -6.777 -5.972 166 HE3 LYS 25 2HE LYS 25 -14.805 -5.329 -6.845 167 HZ1 LYS 25 1HZ LYS 25 -13.287 -5.826 -8.335 168 HZ2 LYS 25 2HZ LYS 25 -12.090 -5.740 -7.228 169 HZ3 LYS 25 3HZ LYS 25 -12.841 -7.163 -7.510 170 H ALA 26 H ALA 26 -15.624 -1.782 -1.174 171 HA ALA 26 HA ALA 26 -15.376 -0.800 0.793 172 HB1 ALA 26 1HB ALA 26 -16.721 -1.889 2.225 173 HB2 ALA 26 2HB ALA 26 -16.427 -3.431 1.386 174 HB3 ALA 26 3HB ALA 26 -15.338 -2.907 2.692 175 H GLU 27 H GLU 27 -13.063 -1.384 -0.731 176 HA GLU 27 HA GLU 27 -11.168 -1.556 1.450 177 HB2 GLU 27 1HB GLU 27 -10.966 -3.172 -1.129 178 HB3 GLU 27 2HB GLU 27 -9.656 -2.992 0.021 179 HG2 GLU 27 1HG GLU 27 -11.866 -3.764 1.605 180 HG3 GLU 27 2HG GLU 27 -12.018 -4.735 0.154 181 H LEU 28 H LEU 28 -9.281 -0.267 1.139 182 HA LEU 28 HA LEU 28 -9.628 1.764 -0.875 183 HB2 LEU 28 1HB LEU 28 -9.012 2.136 1.558 184 HB3 LEU 28 2HB LEU 28 -7.424 1.508 1.166 185 HG LEU 28 HG LEU 28 -7.716 4.039 1.209 186 HD11 LEU 28 1HD1 LEU 28 -5.689 3.487 0.344 187 HD12 LEU 28 2HD1 LEU 28 -6.379 2.418 -0.901 188 HD13 LEU 28 3HD1 LEU 28 -6.425 4.184 -1.119 189 HD21 LEU 28 1HD2 LEU 28 -9.015 3.557 -1.486 190 HD22 LEU 28 2HD2 LEU 28 -9.864 4.091 -0.015 191 HD23 LEU 28 3HD2 LEU 28 -8.620 5.129 -0.751 192 H PHE 29 H PHE 29 -8.232 2.198 -2.613 193 HA PHE 29 HA PHE 29 -6.255 0.088 -3.116 194 HB2 PHE 29 1HB PHE 29 -8.241 1.552 -4.952 195 HB3 PHE 29 2HB PHE 29 -6.942 0.558 -5.582 196 HD1 PHE 29 1HD PHE 29 -10.022 0.463 -3.531 197 HD2 PHE 29 2HD PHE 29 -7.165 -1.788 -5.717 198 HE1 PHE 29 1HE PHE 29 -11.491 -1.565 -3.361 199 HE2 PHE 29 2HE PHE 29 -8.634 -3.817 -5.547 200 HZ PHE 29 HZ PHE 29 -10.779 -3.681 -4.371 201 H VAL 30 H VAL 30 -4.304 0.729 -4.148 202 HA VAL 30 HA VAL 30 -4.010 3.620 -4.537 203 HB VAL 30 HB VAL 30 -2.127 1.775 -3.053 204 HG11 VAL 30 1HG1 VAL 30 -1.436 3.969 -4.597 205 HG12 VAL 30 2HG1 VAL 30 -1.569 4.650 -2.958 206 HG13 VAL 30 3HG1 VAL 30 -0.476 3.279 -3.266 207 HG21 VAL 30 1HG2 VAL 30 -2.807 2.723 -1.079 208 HG22 VAL 30 2HG2 VAL 30 -3.292 4.253 -1.847 209 HG23 VAL 30 3HG2 VAL 30 -4.334 2.817 -1.988 210 H THR 31 H THR 31 -4.437 2.936 -6.811 211 HA THR 31 HA THR 31 -2.375 1.293 -8.021 212 HB THR 31 HB THR 31 -3.830 1.628 -10.046 213 HG1 THR 31 1HG THR 31 -5.661 2.979 -8.269 214 HG21 THR 31 1HG2 THR 31 -5.119 0.851 -7.404 215 HG22 THR 31 2HG2 THR 31 -6.103 0.927 -8.885 216 HG23 THR 31 3HG2 THR 31 -4.718 -0.188 -8.792 217 H ARG 32 H ARG 32 -1.991 2.447 -10.488 218 HA ARG 32 HA ARG 32 -0.594 3.777 -11.470 219 HB2 ARG 32 1HB ARG 32 -1.897 5.925 -9.721 220 HB3 ARG 32 2HB ARG 32 -0.949 6.254 -11.157 221 HG2 ARG 32 1HG ARG 32 -3.333 4.382 -11.312 222 HG3 ARG 32 2HG ARG 32 -3.580 6.117 -11.341 223 HD2 ARG 32 1HD ARG 32 -1.826 6.188 -13.253 224 HD3 ARG 32 2HD ARG 32 -1.971 4.443 -13.318 225 HE ARG 32 HE ARG 32 -4.610 5.369 -13.402 226 HH11 ARG 32 2HH2 ARG 32 -1.711 5.853 -15.337 227 HH12 ARG 32 1HH2 ARG 32 -2.584 6.132 -16.807 228 HH21 ARG 32 2HH1 ARG 32 -5.762 5.736 -15.340 229 HH22 ARG 32 1HH1 ARG 32 -4.904 6.064 -16.808 230 H LEU 33 H LEU 33 0.877 2.446 -9.726 231 HA LEU 33 HA LEU 33 2.158 4.235 -7.850 232 HB2 LEU 33 1HB LEU 33 2.551 1.315 -8.512 233 HB3 LEU 33 2HB LEU 33 3.489 2.185 -7.314 234 HG LEU 33 HG LEU 33 0.475 1.948 -7.189 235 HD11 LEU 33 1HD1 LEU 33 1.458 0.304 -5.208 236 HD12 LEU 33 2HD1 LEU 33 0.770 -0.223 -6.763 237 HD13 LEU 33 3HD1 LEU 33 2.532 -0.044 -6.585 238 HD21 LEU 33 1HD2 LEU 33 2.264 2.405 -4.831 239 HD22 LEU 33 2HD2 LEU 33 1.888 3.762 -5.919 240 HD23 LEU 33 3HD2 LEU 33 0.572 2.890 -5.097 241 H GLU 34 H GLU 34 3.680 5.636 -8.530 242 HA GLU 34 HA GLU 34 5.631 4.610 -10.403 243 HB2 GLU 34 1HB GLU 34 4.114 7.228 -10.790 244 HB3 GLU 34 2HB GLU 34 5.536 6.770 -11.706 245 HG2 GLU 34 1HG GLU 34 4.417 4.922 -12.747 246 HG3 GLU 34 2HG GLU 34 3.118 4.932 -11.572 247 H ALA 35 H ALA 35 7.151 4.542 -8.680 248 HA ALA 35 HA ALA 35 7.515 6.749 -6.941 249 HB1 ALA 35 1HB ALA 35 9.659 5.438 -6.408 250 HB2 ALA 35 2HB ALA 35 8.118 4.585 -6.153 251 HB3 ALA 35 3HB ALA 35 9.095 4.243 -7.600 252 H VAL 36 H VAL 36 8.918 8.488 -7.061 253 HA VAL 36 HA VAL 36 10.649 8.577 -9.428 254 HB VAL 36 HB VAL 36 8.715 10.661 -8.416 255 HG11 VAL 36 1HG1 VAL 36 10.081 11.614 -10.717 256 HG12 VAL 36 2HG1 VAL 36 10.094 12.285 -9.069 257 HG13 VAL 36 3HG1 VAL 36 11.319 11.088 -9.552 258 HG21 VAL 36 1HG2 VAL 36 7.895 8.910 -10.012 259 HG22 VAL 36 2HG2 VAL 36 7.779 10.575 -10.631 260 HG23 VAL 36 3HG2 VAL 36 9.083 9.504 -11.197 261 H THR 37 H THR 37 12.104 7.705 -7.610 262 HA THR 37 HA THR 37 12.773 9.440 -5.473 263 HB THR 37 HB THR 37 14.652 7.795 -5.215 264 HG1 THR 37 1HG THR 37 14.622 6.118 -6.986 265 HG21 THR 37 1HG2 THR 37 12.444 6.005 -6.172 266 HG22 THR 37 2HG2 THR 37 13.305 6.002 -4.614 267 HG23 THR 37 3HG2 THR 37 11.998 7.175 -4.907 268 H SER 38 H SER 38 14.373 8.739 -8.647 269 HA SER 38 HA SER 38 15.773 9.897 -9.832 270 HB2 SER 38 1HB SER 38 14.119 11.953 -8.545 271 HB3 SER 38 2HB SER 38 15.717 12.565 -8.923 272 HG SER 38 HG SER 38 13.720 11.512 -10.701 273 H ASN 39 H ASN 39 17.999 9.918 -9.693 274 HA ASN 39 HA ASN 39 19.966 9.782 -8.768 275 HB2 ASN 39 1HB ASN 39 18.939 12.335 -7.432 276 HB3 ASN 39 2HB ASN 39 20.608 11.818 -7.298 277 HD21 ASN 39 1HD2 ASN 39 19.777 14.230 -8.435 278 HD22 ASN 39 2HD2 ASN 39 20.180 14.253 -10.119 279 H HIS 40 H HIS 40 19.740 7.843 -7.474 280 HA HIS 40 HA HIS 40 20.043 8.230 -4.703 281 HB2 HIS 40 1HB HIS 40 17.405 8.284 -5.408 282 HB3 HIS 40 2HB HIS 40 17.629 6.571 -5.114 283 HD1 HIS 40 1HD HIS 40 19.198 6.271 -2.658 284 HD2 HIS 40 2HD HIS 40 16.548 9.488 -3.128 285 HE1 HIS 40 1HE HIS 40 18.650 7.095 -0.307 286 H ASP 41 H ASP 41 21.934 7.019 -4.995 287 HA ASP 41 HA ASP 41 22.078 4.729 -6.503 288 HB2 ASP 41 1HB ASP 41 24.080 4.217 -4.924 289 HB3 ASP 41 2HB ASP 41 24.139 5.696 -5.861 290 H GLY 42 H GLY 42 20.463 3.141 -6.085 291 HA2 GLY 42 1HA GLY 42 20.385 2.075 -3.324 292 HA3 GLY 42 2HA GLY 42 18.975 2.206 -4.357 293 H GLY 43 H GLY 43 19.034 0.991 -6.499 294 HA2 GLY 43 1HA GLY 43 19.678 -0.775 -7.810 295 HA3 GLY 43 2HA GLY 43 20.938 -1.193 -6.666 296 H CYS 44 H CYS 44 19.455 -1.373 -4.240 297 HA CYS 44 HA CYS 44 18.616 -3.948 -4.271 298 HB2 CYS 44 1HB CYS 44 17.453 -3.438 -2.130 299 HB3 CYS 44 2HB CYS 44 19.093 -2.822 -2.198 300 HG CYS 44 HG CYS 44 17.922 -0.489 -3.445 301 H ASP 45 H ASP 45 16.191 -4.625 -3.647 302 HA ASP 45 HA ASP 45 14.637 -3.812 -5.884 303 HB2 ASP 45 1HB ASP 45 14.368 -5.831 -3.649 304 HB3 ASP 45 2HB ASP 45 12.938 -5.414 -4.571 305 H CYS 46 H CYS 46 13.459 -1.891 -5.729 306 HA CYS 46 HA CYS 46 12.548 -1.068 -3.099 307 HB2 CYS 46 1HB CYS 46 12.247 1.107 -4.012 308 HB3 CYS 46 2HB CYS 46 13.785 0.522 -4.616 309 HG CYS 46 HG CYS 46 13.056 1.464 -6.736 310 H TYR 47 H TYR 47 10.347 -1.016 -2.546 311 HA TYR 47 HA TYR 47 8.416 -1.564 -4.669 312 HB2 TYR 47 1HB TYR 47 7.446 -3.332 -3.117 313 HB3 TYR 47 2HB TYR 47 9.070 -3.746 -3.630 314 HD1 TYR 47 1HD TYR 47 10.990 -3.478 -2.051 315 HD2 TYR 47 2HD TYR 47 6.939 -2.884 -0.807 316 HE1 TYR 47 1HE TYR 47 11.698 -3.688 0.382 317 HE2 TYR 47 2HE TYR 47 7.661 -3.096 1.621 318 HH TYR 47 HH TYR 47 9.421 -4.058 2.896 319 H VAL 48 H VAL 48 6.203 -0.993 -4.083 320 HA VAL 48 HA VAL 48 6.199 1.159 -2.130 321 HB VAL 48 HB VAL 48 4.032 0.308 -4.054 322 HG11 VAL 48 1HG1 VAL 48 4.390 2.516 -2.131 323 HG12 VAL 48 2HG1 VAL 48 3.858 3.024 -3.751 324 HG13 VAL 48 3HG1 VAL 48 2.905 1.832 -2.834 325 HG21 VAL 48 1HG2 VAL 48 5.398 2.634 -4.981 326 HG22 VAL 48 2HG2 VAL 48 6.615 1.373 -4.670 327 HG23 VAL 48 3HG2 VAL 48 5.252 1.044 -5.767 328 H GLN 49 H GLN 49 4.441 1.332 -0.528 329 HA GLN 49 HA GLN 49 3.026 -1.103 0.008 330 HB2 GLN 49 1HB GLN 49 5.246 -1.406 1.149 331 HB3 GLN 49 2HB GLN 49 4.947 0.048 2.080 332 HG2 GLN 49 1HG GLN 49 2.671 -1.172 2.726 333 HG3 GLN 49 2HG GLN 49 3.523 -2.620 2.229 334 HE21 GLN 49 1HE2 GLN 49 2.688 -0.961 4.821 335 HE22 GLN 49 2HE2 GLN 49 4.014 -1.241 5.900 336 H GLY 50 H GLY 50 1.003 -0.623 0.806 337 HA2 GLY 50 1HA GLY 50 0.581 2.156 1.721 338 HA3 GLY 50 2HA GLY 50 -0.593 1.182 0.860 339 H SER 51 H SER 51 0.297 2.311 3.900 340 HA SER 51 HA SER 51 -0.870 -0.012 5.211 341 HB2 SER 51 1HB SER 51 0.080 1.130 7.323 342 HB3 SER 51 2HB SER 51 1.235 0.423 6.211 343 HG SER 51 HG SER 51 1.048 3.008 7.041 344 H VAL 52 H VAL 52 -2.864 0.184 6.226 345 HA VAL 52 HA VAL 52 -3.951 2.911 6.391 346 HB VAL 52 HB VAL 52 -4.960 0.449 5.161 347 HG11 VAL 52 1HG1 VAL 52 -6.861 2.093 6.866 348 HG12 VAL 52 2HG1 VAL 52 -7.291 0.740 5.793 349 HG13 VAL 52 3HG1 VAL 52 -6.304 0.446 7.245 350 HG21 VAL 52 1HG2 VAL 52 -6.365 2.108 3.931 351 HG22 VAL 52 2HG2 VAL 52 -5.672 3.393 4.949 352 HG23 VAL 52 3HG2 VAL 52 -4.621 2.456 3.860 353 H ALA 53 H ALA 53 -5.440 3.302 8.190 354 HA ALA 53 HA ALA 53 -5.258 1.307 10.321 355 HB1 ALA 53 1HB ALA 53 -3.882 2.586 11.550 356 HB2 ALA 53 2HB ALA 53 -3.768 3.744 10.203 357 HB3 ALA 53 3HB ALA 53 -5.029 3.943 11.444 358 H ASN 54 H ASN 54 -7.340 0.782 10.752 359 HA ASN 54 HA ASN 54 -9.267 2.959 10.561 360 HB2 ASN 54 1HB ASN 54 -10.743 0.580 10.653 361 HB3 ASN 54 2HB ASN 54 -10.367 1.479 9.197 362 HD21 ASN 54 1HD2 ASN 54 -9.984 -0.032 7.738 363 HD22 ASN 54 2HD2 ASN 54 -8.803 -1.295 7.847 364 H ARG 55 H ARG 55 -11.169 2.689 12.187 365 HA ARG 55 HA ARG 55 -10.194 2.572 14.731 366 HB2 ARG 55 1HB ARG 55 -12.795 2.868 13.422 367 HB3 ARG 55 2HB ARG 55 -12.969 1.925 14.889 368 HG2 ARG 55 1HG ARG 55 -11.695 3.720 16.142 369 HG3 ARG 55 2HG ARG 55 -11.655 4.675 14.673 370 HD2 ARG 55 1HD ARG 55 -13.891 5.249 14.814 371 HD3 ARG 55 2HD ARG 55 -14.366 3.686 15.449 372 HE ARG 55 HE ARG 55 -14.126 4.529 17.614 373 HH11 ARG 55 2HH2 ARG 55 -12.332 6.583 15.391 374 HH12 ARG 55 1HH2 ARG 55 -11.939 7.763 16.596 375 HH21 ARG 55 2HH1 ARG 55 -13.609 6.086 19.205 376 HH22 ARG 55 1HH1 ARG 55 -12.671 7.479 18.781 377 H THR 56 H THR 56 -11.008 -0.004 12.554 378 HA THR 56 HA THR 56 -11.578 -1.920 14.657 379 HB THR 56 HB THR 56 -12.202 -3.333 12.838 380 HG1 THR 56 1HG THR 56 -10.461 -1.497 11.349 381 HG21 THR 56 1HG2 THR 56 -12.557 -0.963 11.103 382 HG22 THR 56 2HG2 THR 56 -13.790 -2.045 11.793 383 HG23 THR 56 3HG2 THR 56 -13.152 -0.693 12.758 384 H GLY 57 H GLY 57 -8.844 -0.728 12.787 385 HA2 GLY 57 1HA GLY 57 -6.886 -1.725 14.380 386 HA3 GLY 57 2HA GLY 57 -7.203 -3.045 13.271 387 H SER 58 H SER 58 -5.579 -3.047 11.765 388 HA SER 58 HA SER 58 -5.367 -0.722 10.115 389 HB2 SER 58 1HB SER 58 -2.794 -0.771 10.334 390 HB3 SER 58 2HB SER 58 -3.693 -0.019 11.637 391 HG SER 58 HG SER 58 -2.047 -1.473 12.435 392 H VAL 59 H VAL 59 -3.906 -1.218 8.157 393 HA VAL 59 HA VAL 59 -3.584 -4.094 7.748 394 HB VAL 59 HB VAL 59 -4.541 -3.744 5.437 395 HG11 VAL 59 1HG1 VAL 59 -6.089 -4.971 6.504 396 HG12 VAL 59 2HG1 VAL 59 -5.944 -4.017 8.000 397 HG13 VAL 59 3HG1 VAL 59 -6.993 -3.448 6.680 398 HG21 VAL 59 1HG2 VAL 59 -5.228 -1.100 6.683 399 HG22 VAL 59 2HG2 VAL 59 -4.681 -1.476 5.031 400 HG23 VAL 59 3HG2 VAL 59 -6.355 -1.835 5.518 401 H GLU 60 H GLU 60 -2.463 -4.296 5.373 402 HA GLU 60 HA GLU 60 -0.772 -2.114 4.761 403 HB2 GLU 60 1HB GLU 60 0.388 -4.525 6.211 404 HB3 GLU 60 2HB GLU 60 1.373 -3.476 5.211 405 HG2 GLU 60 1HG GLU 60 0.338 -1.520 6.644 406 HG3 GLU 60 2HG GLU 60 -0.106 -2.787 7.771 407 H ALA 61 H ALA 61 -0.248 -2.243 2.598 408 HA ALA 61 HA ALA 61 -0.296 -4.909 1.381 409 HB1 ALA 61 1HB ALA 61 -2.393 -4.232 0.688 410 HB2 ALA 61 2HB ALA 61 -1.977 -2.503 0.754 411 HB3 ALA 61 3HB ALA 61 -1.405 -3.505 -0.601 412 H GLN 62 H GLN 62 0.772 -4.857 -0.845 413 HA GLN 62 HA GLN 62 2.414 -2.630 -1.410 414 HB2 GLN 62 1HB GLN 62 4.588 -4.028 -1.193 415 HB3 GLN 62 2HB GLN 62 3.907 -3.349 0.272 416 HG2 GLN 62 1HG GLN 62 3.958 -5.459 1.120 417 HG3 GLN 62 2HG GLN 62 2.587 -5.802 0.084 418 HE21 GLN 62 1HE2 GLN 62 5.574 -6.798 0.962 419 HE22 GLN 62 2HE2 GLN 62 6.059 -7.710 -0.428 420 H THR 63 H THR 63 4.128 -3.412 -3.241 421 HA THR 63 HA THR 63 2.599 -5.230 -4.983 422 HB THR 63 HB THR 63 3.712 -3.862 -6.821 423 HG1 THR 63 1HG THR 63 5.489 -3.132 -5.432 424 HG21 THR 63 1HG2 THR 63 1.440 -3.191 -5.535 425 HG22 THR 63 2HG2 THR 63 2.452 -1.845 -4.956 426 HG23 THR 63 3HG2 THR 63 2.192 -2.077 -6.701 427 H ALA 64 H ALA 64 4.363 -5.880 -6.904 428 HA ALA 64 HA ALA 64 6.114 -7.642 -5.451 429 HB1 ALA 64 1HB ALA 64 5.582 -7.261 -8.426 430 HB2 ALA 64 2HB ALA 64 6.519 -8.591 -7.704 431 HB3 ALA 64 3HB ALA 64 4.779 -8.438 -7.360 432 H LEU 65 H LEU 65 8.310 -7.445 -5.205 433 HA LEU 65 HA LEU 65 9.573 -5.081 -5.291 434 HB2 LEU 65 1HB LEU 65 10.583 -7.890 -5.607 435 HB3 LEU 65 2HB LEU 65 11.692 -6.534 -5.635 436 HG LEU 65 HG LEU 65 11.684 -7.397 -3.425 437 HD11 LEU 65 1HD1 LEU 65 11.692 -5.387 -2.476 438 HD12 LEU 65 2HD1 LEU 65 11.011 -4.753 -3.993 439 HD13 LEU 65 3HD1 LEU 65 9.930 -5.215 -2.657 440 HD21 LEU 65 1HD2 LEU 65 9.833 -7.973 -2.133 441 HD22 LEU 65 2HD2 LEU 65 8.712 -7.015 -3.131 442 HD23 LEU 65 3HD2 LEU 65 9.395 -8.532 -3.765 443 H LYS 66 H LYS 66 11.061 -3.997 -6.731 444 HA LYS 66 HA LYS 66 10.914 -4.872 -9.510 445 HB2 LYS 66 1HB LYS 66 9.903 -2.253 -8.421 446 HB3 LYS 66 2HB LYS 66 10.535 -2.351 -10.052 447 HG2 LYS 66 1HG LYS 66 8.563 -4.468 -9.228 448 HG3 LYS 66 2HG LYS 66 7.935 -2.848 -9.462 449 HD2 LYS 66 1HD LYS 66 9.059 -2.813 -11.746 450 HD3 LYS 66 2HD LYS 66 9.501 -4.492 -11.505 451 HE2 LYS 66 1HE LYS 66 7.278 -5.250 -11.652 452 HE3 LYS 66 2HE LYS 66 6.605 -3.718 -11.131 453 HZ1 LYS 66 1HZ LYS 66 7.477 -4.522 -13.759 454 HZ2 LYS 66 2HZ LYS 66 6.232 -3.559 -13.323 455 HZ3 LYS 66 3HZ LYS 66 7.752 -2.964 -13.356 456 H LYS 67 H LYS 67 12.374 -3.017 -10.784 457 HA LYS 67 HA LYS 67 14.887 -3.082 -9.282 458 HB2 LYS 67 1HB LYS 67 15.238 -4.290 -11.224 459 HB3 LYS 67 2HB LYS 67 14.179 -3.281 -12.188 460 HG2 LYS 67 1HG LYS 67 15.854 -1.818 -12.711 461 HG3 LYS 67 2HG LYS 67 16.435 -1.752 -11.059 462 HD2 LYS 67 1HD LYS 67 18.169 -2.726 -12.509 463 HD3 LYS 67 2HD LYS 67 17.606 -3.933 -11.370 464 HE2 LYS 67 1HE LYS 67 15.908 -4.598 -13.285 465 HE3 LYS 67 2HE LYS 67 16.997 -3.714 -14.335 466 HZ1 LYS 67 1HZ LYS 67 17.418 -6.165 -13.962 467 HZ2 LYS 67 2HZ LYS 67 18.708 -5.167 -13.871 468 HZ3 LYS 67 3HZ LYS 67 18.025 -5.746 -12.505 469 H ARG 68 H ARG 68 15.475 -1.220 -8.319 470 HA ARG 68 HA ARG 68 14.194 1.094 -8.441 471 HB2 ARG 68 1HB ARG 68 16.378 0.273 -7.117 472 HB3 ARG 68 2HB ARG 68 17.219 1.205 -8.339 473 HG2 ARG 68 1HG ARG 68 15.988 3.236 -7.736 474 HG3 ARG 68 2HG ARG 68 14.938 2.339 -6.657 475 HD2 ARG 68 1HD ARG 68 16.880 1.776 -5.202 476 HD3 ARG 68 2HD ARG 68 17.963 2.609 -6.298 477 HE ARG 68 HE ARG 68 17.266 4.653 -5.396 478 HH11 ARG 68 2HH2 ARG 68 14.923 2.166 -4.554 479 HH12 ARG 68 1HH2 ARG 68 14.018 3.197 -3.496 480 HH21 ARG 68 2HH1 ARG 68 16.073 6.013 -4.000 481 HH22 ARG 68 1HH1 ARG 68 14.676 5.400 -3.179 482 H GLN 69 H GLN 69 13.847 2.703 -9.954 483 HA GLN 69 HA GLN 69 15.862 3.039 -12.006 484 HB2 GLN 69 1HB GLN 69 12.905 2.526 -12.520 485 HB3 GLN 69 2HB GLN 69 13.959 3.246 -13.721 486 HG2 GLN 69 1HG GLN 69 15.004 0.751 -12.449 487 HG3 GLN 69 2HG GLN 69 13.572 0.539 -13.438 488 HE21 GLN 69 1HE2 GLN 69 13.741 2.150 -15.478 489 HE22 GLN 69 2HE2 GLN 69 15.163 1.910 -16.438 490 H LEU 70 H LEU 70 15.072 5.095 -13.451 491 HA LEU 70 HA LEU 70 14.887 7.216 -11.562 492 HB2 LEU 70 1HB LEU 70 15.377 6.883 -14.452 493 HB3 LEU 70 2HB LEU 70 14.605 8.389 -13.997 494 HG LEU 70 HG LEU 70 16.917 8.832 -14.050 495 HD11 LEU 70 1HD1 LEU 70 15.454 9.241 -11.774 496 HD12 LEU 70 2HD1 LEU 70 16.912 8.443 -11.137 497 HD13 LEU 70 3HD1 LEU 70 17.062 9.930 -12.104 498 HD21 LEU 70 1HD2 LEU 70 18.646 7.513 -13.121 499 HD22 LEU 70 2HD2 LEU 70 17.496 6.508 -12.207 500 HD23 LEU 70 3HD2 LEU 70 17.569 6.387 -13.981 501 H HIS 71 H HIS 71 12.594 5.112 -12.833 502 HA HIS 71 HA HIS 71 10.472 6.596 -11.803 503 HB2 HIS 71 1HB HIS 71 10.992 7.872 -13.964 504 HB3 HIS 71 2HB HIS 71 10.389 6.467 -14.821 505 HD1 HIS 71 1HD HIS 71 8.597 8.397 -15.657 506 HD2 HIS 71 2HD HIS 71 8.250 7.021 -11.710 507 HE1 HIS 71 1HE HIS 71 6.256 9.046 -14.877 508 H THR 72 H THR 72 10.596 4.395 -10.815 509 HA THR 72 HA THR 72 9.999 2.138 -12.465 510 HB THR 72 HB THR 72 10.063 2.648 -9.446 511 HG1 THR 72 1HG THR 72 12.122 1.566 -9.808 512 HG21 THR 72 1HG2 THR 72 10.021 -0.014 -10.961 513 HG22 THR 72 2HG2 THR 72 10.133 0.201 -9.198 514 HG23 THR 72 3HG2 THR 72 8.633 0.632 -10.053 515 H THR 73 H THR 73 8.085 0.996 -12.729 516 HA THR 73 HA THR 73 5.685 2.240 -11.596 517 HB THR 73 HB THR 73 4.641 2.117 -13.884 518 HG1 THR 73 1HG THR 73 7.442 1.495 -14.512 519 HG21 THR 73 1HG2 THR 73 6.244 4.140 -13.042 520 HG22 THR 73 2HG2 THR 73 7.234 3.561 -14.403 521 HG23 THR 73 3HG2 THR 73 5.564 4.107 -14.687 522 H TRP 74 H TRP 74 3.897 0.839 -11.329 523 HA TRP 74 HA TRP 74 4.671 -1.991 -11.542 524 HB2 TRP 74 1HB TRP 74 3.034 -0.532 -9.472 525 HB3 TRP 74 2HB TRP 74 2.985 -2.274 -9.658 526 HD1 TRP 74 HD TRP 74 5.065 -3.649 -8.671 527 HE1 TRP 74 1HE TRP 74 7.191 -3.094 -7.209 528 HE3 TRP 74 3HE TRP 74 4.731 1.401 -9.160 529 HZ2 TRP 74 2HZ TRP 74 8.465 -0.660 -6.439 530 HZ3 TRP 74 3HZ TRP 74 6.456 2.794 -8.021 531 HH2 TRP 74 HH TRP 74 8.276 1.842 -6.697 532 H GLU 75 H GLU 75 2.620 -3.443 -11.738 533 HA GLU 75 HA GLU 75 0.945 -2.179 -13.741 534 HB2 GLU 75 1HB GLU 75 2.238 -4.720 -13.558 535 HB3 GLU 75 2HB GLU 75 0.516 -5.039 -13.487 536 HG2 GLU 75 1HG GLU 75 0.129 -3.812 -15.570 537 HG3 GLU 75 2HG GLU 75 1.783 -3.234 -15.597 538 H GLU 76 H GLU 76 0.859 -4.051 -10.670 539 HA GLU 76 HA GLU 76 -2.020 -3.742 -10.629 540 HB2 GLU 76 1HB GLU 76 -1.981 -5.340 -8.772 541 HB3 GLU 76 2HB GLU 76 -1.050 -5.975 -10.114 542 HG2 GLU 76 1HG GLU 76 1.060 -5.310 -9.050 543 HG3 GLU 76 2HG GLU 76 0.203 -4.463 -7.777 544 H GLY 77 H GLY 77 -2.906 -3.261 -8.249 545 HA2 GLY 77 1HA GLY 77 -1.312 -1.026 -7.142 546 HA3 GLY 77 2HA GLY 77 -3.042 -0.932 -7.401 547 H LEU 78 H LEU 78 -1.895 -0.516 -4.843 548 HA LEU 78 HA LEU 78 -1.955 -2.919 -3.329 549 HB2 LEU 78 1HB LEU 78 -2.196 -0.088 -2.322 550 HB3 LEU 78 2HB LEU 78 -1.662 -1.501 -1.434 551 HG LEU 78 HG LEU 78 -0.200 0.065 -3.548 552 HD11 LEU 78 1HD1 LEU 78 -0.164 0.254 -0.846 553 HD12 LEU 78 2HD1 LEU 78 1.150 -0.919 -1.109 554 HD13 LEU 78 3HD1 LEU 78 1.208 0.675 -1.901 555 HD21 LEU 78 1HD2 LEU 78 0.100 -2.834 -2.907 556 HD22 LEU 78 2HD2 LEU 78 0.346 -1.961 -4.439 557 HD23 LEU 78 3HD2 LEU 78 1.575 -1.868 -3.155 558 H VAL 79 H VAL 79 -3.523 -3.235 -1.462 559 HA VAL 79 HA VAL 79 -6.136 -2.080 -1.905 560 HB VAL 79 HB VAL 79 -5.663 -5.061 -2.117 561 HG11 VAL 79 1HG1 VAL 79 -8.008 -5.306 -2.426 562 HG12 VAL 79 2HG1 VAL 79 -7.802 -4.269 -0.994 563 HG13 VAL 79 3HG1 VAL 79 -8.251 -3.548 -2.558 564 HG21 VAL 79 1HG2 VAL 79 -6.505 -4.774 -4.455 565 HG22 VAL 79 2HG2 VAL 79 -6.403 -3.012 -4.231 566 HG23 VAL 79 3HG2 VAL 79 -4.928 -4.005 -4.157 567 H LEU 80 H LEU 80 -6.705 -1.420 0.096 568 HA LEU 80 HA LEU 80 -5.963 -3.192 2.320 569 HB2 LEU 80 1HB LEU 80 -5.943 -0.186 2.127 570 HB3 LEU 80 2HB LEU 80 -5.993 -1.023 3.666 571 HG LEU 80 HG LEU 80 -3.748 -0.689 3.485 572 HD11 LEU 80 1HD1 LEU 80 -4.350 -3.199 3.452 573 HD12 LEU 80 2HD1 LEU 80 -3.748 -3.169 1.778 574 HD13 LEU 80 3HD1 LEU 80 -2.669 -2.719 3.120 575 HD21 LEU 80 1HD2 LEU 80 -4.158 0.303 1.099 576 HD22 LEU 80 2HD2 LEU 80 -2.531 -0.230 1.584 577 HD23 LEU 80 3HD2 LEU 80 -3.537 -1.272 0.550 578 HA PRO 81 HA PRO 81 -10.243 -3.324 2.970 579 HB2 PRO 81 1HB PRO 81 -10.270 -4.638 5.366 580 HB3 PRO 81 2HB PRO 81 -10.110 -5.458 3.826 581 HG2 PRO 81 1HG PRO 81 -8.036 -4.918 5.862 582 HG3 PRO 81 2HG PRO 81 -8.009 -6.077 4.548 583 HD2 PRO 81 1HD PRO 81 -6.643 -3.556 4.643 584 HD3 PRO 81 2HD PRO 81 -6.710 -4.661 3.284 585 H LEU 82 H LEU 82 -11.607 -1.722 3.412 586 HA LEU 82 HA LEU 82 -11.470 -0.606 6.058 587 HB2 LEU 82 1HB LEU 82 -9.764 0.726 5.112 588 HB3 LEU 82 2HB LEU 82 -10.662 0.976 3.628 589 HG LEU 82 HG LEU 82 -10.489 2.896 5.357 590 HD11 LEU 82 1HD1 LEU 82 -12.729 3.729 4.734 591 HD12 LEU 82 2HD1 LEU 82 -11.840 3.040 3.354 592 HD13 LEU 82 3HD1 LEU 82 -13.145 2.108 4.128 593 HD21 LEU 82 1HD2 LEU 82 -12.981 1.870 6.592 594 HD22 LEU 82 2HD2 LEU 82 -11.462 1.106 7.119 595 HD23 LEU 82 3HD2 LEU 82 -11.676 2.866 7.278 596 H ALA 83 H ALA 83 -13.490 0.026 6.724 597 HA ALA 83 HA ALA 83 -15.627 -0.446 4.843 598 HB1 ALA 83 1HB ALA 83 -17.045 -0.278 6.822 599 HB2 ALA 83 2HB ALA 83 -15.643 -1.312 7.188 600 HB3 ALA 83 3HB ALA 83 -15.688 0.366 7.777 601 H GLU 84 H GLU 84 -17.289 1.116 4.329 602 HA GLU 84 HA GLU 84 -16.214 3.642 3.812 603 HB2 GLU 84 1HB GLU 84 -18.056 2.344 2.536 604 HB3 GLU 84 2HB GLU 84 -19.170 2.933 3.753 605 HG2 GLU 84 1HG GLU 84 -17.947 5.285 3.124 606 HG3 GLU 84 2HG GLU 84 -17.730 4.449 1.600 607 H GLU 85 H GLU 85 -17.735 2.254 6.601 608 HA GLU 85 HA GLU 85 -18.735 4.768 7.545 609 HB2 GLU 85 1HB GLU 85 -19.588 3.519 9.424 610 HB3 GLU 85 2HB GLU 85 -19.875 2.553 7.990 611 HG2 GLU 85 1HG GLU 85 -17.515 1.481 8.566 612 HG3 GLU 85 2HG GLU 85 -17.805 2.138 10.165 613 H GLU 86 H GLU 86 -15.698 3.361 7.284 614 HA GLU 86 HA GLU 86 -14.811 4.713 9.714 615 HB2 GLU 86 1HB GLU 86 -13.534 2.349 8.267 616 HB3 GLU 86 2HB GLU 86 -12.839 3.159 9.657 617 HG2 GLU 86 1HG GLU 86 -15.535 2.553 10.378 618 HG3 GLU 86 2HG GLU 86 -14.921 1.119 9.579 619 H LEU 87 H LEU 87 -14.977 4.877 6.344 620 HA LEU 87 HA LEU 87 -12.566 5.545 5.379 621 HB2 LEU 87 1HB LEU 87 -15.331 6.525 4.880 622 HB3 LEU 87 2HB LEU 87 -14.011 7.417 4.151 623 HG LEU 87 HG LEU 87 -14.372 4.432 3.805 624 HD11 LEU 87 1HD1 LEU 87 -16.198 6.230 2.913 625 HD12 LEU 87 2HD1 LEU 87 -15.060 6.204 1.545 626 HD13 LEU 87 3HD1 LEU 87 -15.816 4.692 2.102 627 HD21 LEU 87 1HD2 LEU 87 -12.809 4.604 2.022 628 HD22 LEU 87 2HD2 LEU 87 -12.823 6.383 2.090 629 HD23 LEU 87 3HD2 LEU 87 -12.101 5.447 3.421 630 HA PRO 88 HA PRO 88 -12.850 9.814 7.389 631 HB2 PRO 88 1HB PRO 88 -14.781 10.327 9.254 632 HB3 PRO 88 2HB PRO 88 -14.942 10.760 7.564 633 HG2 PRO 88 1HG PRO 88 -16.233 8.549 9.042 634 HG3 PRO 88 2HG PRO 88 -16.688 9.255 7.503 635 HD2 PRO 88 1HD PRO 88 -15.338 6.757 7.914 636 HD3 PRO 88 2HD PRO 88 -15.690 7.517 6.375 637 H THR 89 H THR 89 -13.504 7.009 9.265 638 HA THR 89 HA THR 89 -11.756 8.061 11.377 639 HB THR 89 HB THR 89 -12.902 6.564 12.821 640 HG1 THR 89 1HG THR 89 -12.841 4.573 11.805 641 HG21 THR 89 1HG2 THR 89 -15.093 7.227 12.603 642 HG22 THR 89 2HG2 THR 89 -14.532 8.142 11.184 643 HG23 THR 89 3HG2 THR 89 -15.224 6.515 10.977 644 H ALA 90 H ALA 90 -10.824 7.205 8.667 645 HA ALA 90 HA ALA 90 -8.860 5.306 9.666 646 HB1 ALA 90 1HB ALA 90 -10.450 4.874 7.104 647 HB2 ALA 90 2HB ALA 90 -9.127 3.851 7.713 648 HB3 ALA 90 3HB ALA 90 -10.660 3.950 8.611 649 H THR 91 H THR 91 -6.874 5.324 8.366 650 HA THR 91 HA THR 91 -6.711 7.437 6.367 651 HB THR 91 HB THR 91 -5.009 7.351 8.915 652 HG1 THR 91 1HG THR 91 -7.164 8.199 9.236 653 HG21 THR 91 1HG2 THR 91 -4.045 9.432 8.126 654 HG22 THR 91 2HG2 THR 91 -3.903 8.285 6.773 655 HG23 THR 91 3HG2 THR 91 -5.189 9.517 6.765 656 H LEU 92 H LEU 92 -4.762 7.326 5.059 657 HA LEU 92 HA LEU 92 -3.632 4.615 5.146 658 HB2 LEU 92 1HB LEU 92 -4.879 4.647 3.216 659 HB3 LEU 92 2HB LEU 92 -4.574 6.345 2.903 660 HG LEU 92 HG LEU 92 -2.220 5.777 2.299 661 HD11 LEU 92 1HD1 LEU 92 -1.317 3.762 2.582 662 HD12 LEU 92 2HD1 LEU 92 -2.745 3.368 3.568 663 HD13 LEU 92 3HD1 LEU 92 -2.711 2.941 1.841 664 HD21 LEU 92 1HD2 LEU 92 -3.163 5.954 0.290 665 HD22 LEU 92 2HD2 LEU 92 -3.237 4.176 0.272 666 HD23 LEU 92 3HD2 LEU 92 -4.642 5.119 0.822 667 H THR 93 H THR 93 -1.365 4.388 4.600 668 HA THR 93 HA THR 93 0.173 6.857 4.496 669 HB THR 93 HB THR 93 0.234 4.813 6.764 670 HG1 THR 93 1HG THR 93 -1.032 6.648 7.213 671 HG21 THR 93 1HG2 THR 93 2.187 7.107 6.609 672 HG22 THR 93 2HG2 THR 93 2.348 5.545 7.447 673 HG23 THR 93 3HG2 THR 93 2.581 5.637 5.685 674 H LEU 94 H LEU 94 1.286 6.597 2.661 675 HA LEU 94 HA LEU 94 1.994 3.967 1.780 676 HB2 LEU 94 1HB LEU 94 2.587 6.721 0.692 677 HB3 LEU 94 2HB LEU 94 3.049 5.226 -0.096 678 HG LEU 94 HG LEU 94 0.175 5.890 0.571 679 HD11 LEU 94 1HD1 LEU 94 1.592 6.408 -2.057 680 HD12 LEU 94 2HD1 LEU 94 -0.125 6.698 -1.687 681 HD13 LEU 94 3HD1 LEU 94 1.135 7.655 -0.872 682 HD21 LEU 94 1HD2 LEU 94 0.685 3.520 0.170 683 HD22 LEU 94 2HD2 LEU 94 -0.355 4.204 -1.102 684 HD23 LEU 94 3HD2 LEU 94 1.378 3.940 -1.414 685 H THR 95 H THR 95 4.092 3.070 1.608 686 HA THR 95 HA THR 95 6.278 4.565 2.813 687 HB THR 95 HB THR 95 6.195 1.872 3.935 688 HG1 THR 95 1HG THR 95 3.943 1.948 3.975 689 HG21 THR 95 1HG2 THR 95 7.354 3.925 4.923 690 HG22 THR 95 2HG2 THR 95 5.741 4.577 5.296 691 HG23 THR 95 3HG2 THR 95 6.293 3.072 6.069 692 H LEU 96 H LEU 96 8.052 4.350 1.606 693 HA LEU 96 HA LEU 96 8.091 2.081 -0.245 694 HB2 LEU 96 1HB LEU 96 8.454 4.830 -0.613 695 HB3 LEU 96 2HB LEU 96 10.064 4.147 -0.722 696 HG LEU 96 HG LEU 96 7.756 3.015 -2.306 697 HD11 LEU 96 1HD1 LEU 96 8.357 4.415 -4.180 698 HD12 LEU 96 2HD1 LEU 96 7.940 5.436 -2.783 699 HD13 LEU 96 3HD1 LEU 96 9.645 5.195 -3.231 700 HD21 LEU 96 1HD2 LEU 96 10.765 2.895 -2.638 701 HD22 LEU 96 2HD2 LEU 96 9.679 1.568 -2.158 702 HD23 LEU 96 3HD2 LEU 96 9.582 2.249 -3.800 703 H ARG 97 H ARG 97 9.046 0.383 0.810 704 HA ARG 97 HA ARG 97 11.471 1.017 2.271 705 HB2 ARG 97 1HB ARG 97 9.577 -1.375 2.332 706 HB3 ARG 97 2HB ARG 97 11.150 -1.433 3.104 707 HG2 ARG 97 1HG ARG 97 10.524 -0.012 4.809 708 HG3 ARG 97 2HG ARG 97 9.543 0.992 3.759 709 HD2 ARG 97 1HD ARG 97 7.650 -0.093 4.394 710 HD3 ARG 97 2HD ARG 97 8.329 -1.643 3.935 711 HE ARG 97 HE ARG 97 9.598 -1.127 6.328 712 HH11 ARG 97 2HH2 ARG 97 6.217 -1.124 5.353 713 HH12 ARG 97 1HH2 ARG 97 5.632 -1.569 6.921 714 HH21 ARG 97 2HH1 ARG 97 8.827 -1.713 8.397 715 HH22 ARG 97 1HH1 ARG 97 7.127 -1.906 8.665 716 H THR 98 H THR 98 13.335 -0.574 2.029 717 HA THR 98 HA THR 98 13.439 -1.545 -0.747 718 HB THR 98 HB THR 98 16.002 -1.336 -0.185 719 HG1 THR 98 1HG THR 98 16.306 -0.503 1.845 720 HG21 THR 98 1HG2 THR 98 14.250 0.479 -1.326 721 HG22 THR 98 2HG2 THR 98 14.848 1.405 0.072 722 HG23 THR 98 3HG2 THR 98 15.996 0.772 -1.133 723 H CYS 99 H CYS 99 13.949 -3.639 -1.223 724 HA CYS 99 HA CYS 99 13.280 -5.609 0.480 725 HB2 CYS 99 1HB CYS 99 13.537 -6.125 -1.822 726 HB3 CYS 99 2HB CYS 99 15.214 -5.618 -1.844 727 HG CYS 99 HG CYS 99 15.214 -8.188 -2.035 728 H ASP 100 H ASP 100 14.104 -6.239 2.443 729 HA ASP 100 HA ASP 100 16.910 -6.529 2.733 730 HB2 ASP 100 1HB ASP 100 16.181 -4.022 3.292 731 HB3 ASP 100 2HB ASP 100 15.608 -4.728 4.790 732 H ARG 101 H ARG 101 17.343 -7.361 5.127 733 HA ARG 101 HA ARG 101 16.001 -9.549 5.647 734 HB2 ARG 101 1HB ARG 101 16.989 -7.636 7.823 735 HB3 ARG 101 2HB ARG 101 16.757 -9.362 8.021 736 HG2 ARG 101 1HG ARG 101 18.396 -9.089 5.712 737 HG3 ARG 101 2HG ARG 101 19.029 -7.930 6.864 738 HD2 ARG 101 1HD ARG 101 19.060 -9.784 8.613 739 HD3 ARG 101 2HD ARG 101 18.590 -10.914 7.359 740 HE ARG 101 HE ARG 101 20.807 -9.647 6.274 741 HH11 ARG 101 2HH2 ARG 101 20.192 -11.357 9.288 742 HH12 ARG 101 1HH2 ARG 101 21.826 -11.907 9.457 743 HH21 ARG 101 2HH1 ARG 101 22.962 -10.372 6.498 744 HH22 ARG 101 1HH1 ARG 101 23.412 -11.343 7.860 745 H PHE 102 H PHE 102 15.231 -6.348 7.211 746 HA PHE 102 HA PHE 102 12.438 -6.953 7.126 747 HB2 PHE 102 1HB PHE 102 12.545 -6.433 9.791 748 HB3 PHE 102 2HB PHE 102 12.678 -8.073 9.190 749 HD1 PHE 102 2HD PHE 102 14.956 -9.104 8.947 750 HD2 PHE 102 1HD PHE 102 14.353 -5.394 10.917 751 HE1 PHE 102 2HE PHE 102 17.196 -9.329 10.057 752 HE2 PHE 102 1HE PHE 102 16.593 -5.619 12.027 753 HZ PHE 102 HZ PHE 102 17.988 -7.584 11.583 754 H SER 103 H SER 103 12.062 -5.009 6.058 755 HA SER 103 HA SER 103 13.363 -2.647 6.805 756 HB2 SER 103 1HB SER 103 11.709 -1.556 5.279 757 HB3 SER 103 2HB SER 103 12.493 -2.941 4.546 758 HG SER 103 HG SER 103 10.001 -2.660 4.441 759 H ARG 104 H ARG 104 12.690 -3.329 9.247 760 HA ARG 104 HA ARG 104 10.234 -1.862 9.790 761 HB2 ARG 104 1HB ARG 104 9.905 -3.271 11.774 762 HB3 ARG 104 2HB ARG 104 10.112 -4.308 10.376 763 HG2 ARG 104 1HG ARG 104 11.927 -5.292 11.311 764 HG3 ARG 104 2HG ARG 104 12.727 -3.743 11.484 765 HD2 ARG 104 1HD ARG 104 11.361 -3.357 13.607 766 HD3 ARG 104 2HD ARG 104 10.759 -4.996 13.457 767 HE ARG 104 HE ARG 104 12.859 -5.827 14.127 768 HH11 ARG 104 2HH2 ARG 104 13.107 -2.393 13.399 769 HH12 ARG 104 1HH2 ARG 104 14.703 -2.239 14.054 770 HH21 ARG 104 2HH1 ARG 104 14.964 -5.625 14.991 771 HH22 ARG 104 1HH1 ARG 104 15.767 -4.090 14.965 772 H HIS 105 H HIS 105 12.256 -0.182 9.517 773 HA HIS 105 HA HIS 105 12.648 0.901 12.048 774 HB2 HIS 105 1HB HIS 105 14.871 0.475 12.589 775 HB3 HIS 105 2HB HIS 105 14.244 -1.095 12.125 776 HD1 HIS 105 1HD HIS 105 16.842 1.402 11.266 777 HD2 HIS 105 2HD HIS 105 15.130 -1.996 9.501 778 HE1 HIS 105 1HE HIS 105 18.410 0.712 9.376 779 H SER 106 H SER 106 13.769 0.518 8.662 780 HA SER 106 HA SER 106 14.044 3.422 8.603 781 HB2 SER 106 1HB SER 106 15.559 1.309 7.010 782 HB3 SER 106 2HB SER 106 15.648 3.026 6.672 783 HG SER 106 HG SER 106 16.084 2.532 9.361 784 H VAL 107 H VAL 107 13.488 4.419 6.432 785 HA VAL 107 HA VAL 107 11.835 2.749 4.731 786 HB VAL 107 HB VAL 107 10.833 5.009 6.435 787 HG11 VAL 107 1HG1 VAL 107 9.526 4.059 3.863 788 HG12 VAL 107 2HG1 VAL 107 8.875 5.255 5.009 789 HG13 VAL 107 3HG1 VAL 107 10.351 5.620 4.084 790 HG21 VAL 107 1HG2 VAL 107 10.539 2.639 7.153 791 HG22 VAL 107 2HG2 VAL 107 9.002 3.500 6.901 792 HG23 VAL 107 3HG2 VAL 107 9.587 2.346 5.678 793 H ALA 108 H ALA 108 12.006 3.358 2.599 794 HA ALA 108 HA ALA 108 13.984 5.267 1.951 795 HB1 ALA 108 1HB ALA 108 12.992 3.081 0.738 796 HB2 ALA 108 2HB ALA 108 12.011 4.315 -0.088 797 HB3 ALA 108 3HB ALA 108 13.788 4.392 -0.166 798 H GLY 109 H GLY 109 10.403 5.270 2.097 799 HA2 GLY 109 1HA GLY 109 10.302 8.095 2.311 800 HA3 GLY 109 2HA GLY 109 9.874 7.600 0.686 801 H GLU 110 H GLU 110 8.526 8.427 3.568 802 HA GLU 110 HA GLU 110 6.352 6.511 3.230 803 HB2 GLU 110 1HB GLU 110 7.018 6.107 5.417 804 HB3 GLU 110 2HB GLU 110 7.610 7.738 5.661 805 HG2 GLU 110 1HG GLU 110 5.272 8.591 5.766 806 HG3 GLU 110 2HG GLU 110 4.656 6.977 5.468 807 H LEU 111 H LEU 111 4.371 7.316 2.624 808 HA LEU 111 HA LEU 111 4.100 10.240 2.704 809 HB2 LEU 111 1HB LEU 111 3.941 8.423 0.549 810 HB3 LEU 111 2HB LEU 111 2.302 8.955 0.865 811 HG LEU 111 HG LEU 111 4.423 11.053 0.720 812 HD11 LEU 111 1HD1 LEU 111 3.562 10.835 -1.912 813 HD12 LEU 111 2HD1 LEU 111 5.169 10.409 -1.276 814 HD13 LEU 111 3HD1 LEU 111 3.914 9.157 -1.431 815 HD21 LEU 111 1HD2 LEU 111 1.554 10.901 0.687 816 HD22 LEU 111 2HD2 LEU 111 2.611 12.329 0.786 817 HD23 LEU 111 3HD2 LEU 111 2.130 11.687 -0.802 818 H ARG 112 H ARG 112 1.984 11.108 3.229 819 HA ARG 112 HA ARG 112 0.426 9.169 4.745 820 HB2 ARG 112 1HB ARG 112 1.397 10.690 6.337 821 HB3 ARG 112 2HB ARG 112 1.104 12.083 5.314 822 HG2 ARG 112 1HG ARG 112 -0.558 12.143 7.068 823 HG3 ARG 112 2HG ARG 112 -1.392 11.691 5.595 824 HD2 ARG 112 1HD ARG 112 -1.796 9.517 6.315 825 HD3 ARG 112 2HD ARG 112 -0.303 9.422 7.229 826 HE ARG 112 HE ARG 112 -2.355 11.282 8.283 827 HH11 ARG 112 2HH2 ARG 112 -0.838 8.113 8.477 828 HH12 ARG 112 1HH2 ARG 112 -1.413 7.794 10.079 829 HH21 ARG 112 2HH1 ARG 112 -3.115 10.862 10.397 830 HH22 ARG 112 1HH1 ARG 112 -2.717 9.368 11.179 831 H LEU 113 H LEU 113 -1.717 8.954 4.122 832 HA LEU 113 HA LEU 113 -2.871 11.158 2.572 833 HB2 LEU 113 1HB LEU 113 -3.141 8.227 1.898 834 HB3 LEU 113 2HB LEU 113 -3.887 9.567 1.051 835 HG LEU 113 HG LEU 113 -0.897 9.116 1.252 836 HD11 LEU 113 1HD1 LEU 113 -2.886 8.350 -0.887 837 HD12 LEU 113 2HD1 LEU 113 -1.144 8.527 -1.207 838 HD13 LEU 113 3HD1 LEU 113 -1.715 7.317 -0.033 839 HD21 LEU 113 1HD2 LEU 113 -1.855 11.491 0.907 840 HD22 LEU 113 2HD2 LEU 113 -0.586 10.908 -0.197 841 HD23 LEU 113 3HD2 LEU 113 -2.287 10.914 -0.721 842 H GLY 114 H GLY 114 -5.395 10.701 2.374 843 HA2 GLY 114 1HA GLY 114 -6.342 9.624 4.957 844 HA3 GLY 114 2HA GLY 114 -6.829 11.211 4.394 845 H LEU 115 H LEU 115 -8.349 8.576 4.874 846 HA LEU 115 HA LEU 115 -9.389 8.205 2.159 847 HB2 LEU 115 1HB LEU 115 -10.066 6.437 4.476 848 HB3 LEU 115 2HB LEU 115 -10.063 6.078 2.761 849 HG LEU 115 HG LEU 115 -7.617 6.446 4.512 850 HD11 LEU 115 1HD1 LEU 115 -8.512 4.363 5.074 851 HD12 LEU 115 2HD1 LEU 115 -9.018 4.019 3.402 852 HD13 LEU 115 3HD1 LEU 115 -7.291 3.988 3.834 853 HD21 LEU 115 1HD2 LEU 115 -6.698 7.106 2.554 854 HD22 LEU 115 2HD2 LEU 115 -6.637 5.351 2.262 855 HD23 LEU 115 3HD2 LEU 115 -7.955 6.324 1.566 856 H ASP 116 H ASP 116 -9.868 10.545 4.023 857 HA ASP 116 HA ASP 116 -12.661 10.097 4.634 858 HB2 ASP 116 1HB ASP 116 -11.930 12.752 5.316 859 HB3 ASP 116 2HB ASP 116 -12.164 11.406 6.414 860 H GLY 117 H GLY 117 -10.717 11.091 2.076 861 HA2 GLY 117 1HA GLY 117 -11.261 12.046 0.096 862 HA3 GLY 117 2HA GLY 117 -12.880 12.358 0.690 863 H THR 118 H THR 118 -9.914 13.396 2.412 864 HA THR 118 HA THR 118 -10.671 16.178 1.802 865 HB THR 118 HB THR 118 -9.563 14.785 4.277 866 HG1 THR 118 1HG THR 118 -11.898 15.064 3.897 867 HG21 THR 118 1HG2 THR 118 -8.337 17.034 3.691 868 HG22 THR 118 2HG2 THR 118 -9.917 17.797 3.989 869 HG23 THR 118 3HG2 THR 118 -9.101 16.902 5.293 870 H SER 119 H SER 119 -7.658 14.855 3.237 871 HA SER 119 HA SER 119 -5.953 16.508 2.103 872 HB2 SER 119 1HB SER 119 -5.732 13.566 2.748 873 HB3 SER 119 2HB SER 119 -4.371 14.362 1.983 874 HG SER 119 HG SER 119 -5.458 15.801 4.137 875 H VAL 120 H VAL 120 -6.884 13.321 0.596 876 HA VAL 120 HA VAL 120 -6.446 14.575 -2.014 877 HB VAL 120 HB VAL 120 -5.575 12.183 -2.625 878 HG11 VAL 120 1HG1 VAL 120 -4.400 14.568 -2.436 879 HG12 VAL 120 2HG1 VAL 120 -3.542 13.760 -1.102 880 HG13 VAL 120 3HG1 VAL 120 -3.472 13.082 -2.746 881 HG21 VAL 120 1HG2 VAL 120 -5.987 11.190 -0.410 882 HG22 VAL 120 2HG2 VAL 120 -4.263 11.127 -0.849 883 HG23 VAL 120 3HG2 VAL 120 -4.840 12.341 0.318 884 HA PRO 121 HA PRO 121 -10.342 12.795 -2.677 885 HB2 PRO 121 1HB PRO 121 -10.593 13.282 -5.354 886 HB3 PRO 121 2HB PRO 121 -10.936 14.483 -4.126 887 HG2 PRO 121 1HG PRO 121 -8.595 14.283 -5.919 888 HG3 PRO 121 2HG PRO 121 -9.163 15.666 -5.006 889 HD2 PRO 121 1HD PRO 121 -6.937 13.977 -4.357 890 HD3 PRO 121 2HD PRO 121 -7.576 15.288 -3.385 891 H LEU 122 H LEU 122 -11.557 11.199 -4.139 892 HA LEU 122 HA LEU 122 -9.685 8.982 -4.448 893 HB2 LEU 122 1HB LEU 122 -12.677 9.162 -4.151 894 HB3 LEU 122 2HB LEU 122 -11.873 7.684 -4.643 895 HG LEU 122 HG LEU 122 -11.227 9.143 -2.070 896 HD11 LEU 122 1HD1 LEU 122 -12.609 6.797 -1.438 897 HD12 LEU 122 2HD1 LEU 122 -13.183 8.472 -1.260 898 HD13 LEU 122 3HD1 LEU 122 -13.557 7.556 -2.739 899 HD21 LEU 122 1HD2 LEU 122 -9.428 7.777 -2.365 900 HD22 LEU 122 2HD2 LEU 122 -10.532 6.628 -1.572 901 HD23 LEU 122 3HD2 LEU 122 -10.335 6.596 -3.340 902 H GLY 123 H GLY 123 -9.844 7.587 -6.381 903 HA2 GLY 123 1HA GLY 123 -9.741 7.331 -8.611 904 HA3 GLY 123 2HA GLY 123 -11.275 8.176 -8.669 905 H ALA 124 H ALA 124 -8.438 9.789 -7.276 906 HA ALA 124 HA ALA 124 -8.175 11.342 -9.757 907 HB1 ALA 124 1HB ALA 124 -7.589 12.830 -7.308 908 HB2 ALA 124 2HB ALA 124 -8.662 13.252 -8.665 909 HB3 ALA 124 3HB ALA 124 -9.265 12.232 -7.337 910 H ALA 125 H ALA 125 -6.273 10.497 -10.549 911 HA ALA 125 HA ALA 125 -4.191 9.571 -8.927 912 HB1 ALA 125 1HB ALA 125 -3.123 9.136 -10.939 913 HB2 ALA 125 2HB ALA 125 -4.812 9.254 -11.488 914 HB3 ALA 125 3HB ALA 125 -3.710 10.636 -11.698 915 H GLN 126 H GLN 126 -2.755 10.666 -7.691 916 HA GLN 126 HA GLN 126 -2.004 13.315 -8.600 917 HB2 GLN 126 1HB GLN 126 -2.103 14.044 -6.119 918 HB3 GLN 126 2HB GLN 126 -3.621 13.931 -6.987 919 HG2 GLN 126 1HG GLN 126 -3.452 11.369 -6.044 920 HG3 GLN 126 2HG GLN 126 -2.554 12.197 -4.787 921 HE21 GLN 126 1HE2 GLN 126 -5.385 10.971 -5.271 922 HE22 GLN 126 2HE2 GLN 126 -6.461 12.100 -4.518 923 H TRP 127 H TRP 127 0.114 14.020 -7.795 924 HA TRP 127 HA TRP 127 1.763 11.713 -7.080 925 HB2 TRP 127 1HB TRP 127 2.281 14.316 -8.476 926 HB3 TRP 127 2HB TRP 127 3.599 13.465 -7.695 927 HD1 TRP 127 HD TRP 127 1.104 13.015 -10.618 928 HE1 TRP 127 1HE TRP 127 1.969 11.203 -12.332 929 HE3 TRP 127 3HE TRP 127 5.073 11.504 -7.823 930 HZ2 TRP 127 2HZ TRP 127 4.166 9.383 -12.325 931 HZ3 TRP 127 3HZ TRP 127 6.528 9.704 -8.749 932 HH2 TRP 127 HH TRP 127 6.128 8.652 -10.919 933 H GLY 128 H GLY 128 2.908 11.665 -5.134 934 HA2 GLY 128 1HA GLY 128 2.696 14.058 -3.415 935 HA3 GLY 128 2HA GLY 128 2.251 12.469 -2.824 936 H GLU 129 H GLU 129 4.542 14.512 -2.224 937 HA GLU 129 HA GLU 129 6.844 12.966 -2.937 938 HB2 GLU 129 1HB GLU 129 6.283 15.670 -1.950 939 HB3 GLU 129 2HB GLU 129 7.612 14.938 -1.072 940 HG2 GLU 129 1HG GLU 129 8.945 15.492 -2.824 941 HG3 GLU 129 2HG GLU 129 8.141 14.230 -3.737 942 H LEU 130 H LEU 130 8.069 11.646 -1.562 943 HA LEU 130 HA LEU 130 6.703 10.635 0.711 944 HB2 LEU 130 1HB LEU 130 9.459 10.124 -0.413 945 HB3 LEU 130 2HB LEU 130 8.774 9.255 0.945 946 HG LEU 130 HG LEU 130 7.483 9.328 -1.792 947 HD11 LEU 130 1HD1 LEU 130 8.803 6.830 -0.999 948 HD12 LEU 130 2HD1 LEU 130 8.789 7.683 -2.561 949 HD13 LEU 130 3HD1 LEU 130 9.924 8.182 -1.285 950 HD21 LEU 130 1HD2 LEU 130 6.705 7.007 -0.586 951 HD22 LEU 130 2HD2 LEU 130 6.806 8.114 0.804 952 HD23 LEU 130 3HD2 LEU 130 5.773 8.523 -0.587 953 H LYS 131 H LYS 131 6.875 11.179 2.837 954 HA LYS 131 HA LYS 131 8.661 13.398 3.434 955 HB2 LYS 131 1HB LYS 131 6.350 12.195 4.987 956 HB3 LYS 131 2HB LYS 131 7.303 13.569 5.510 957 HG2 LYS 131 1HG LYS 131 5.875 13.517 2.817 958 HG3 LYS 131 2HG LYS 131 5.092 14.091 4.277 959 HD2 LYS 131 1HD LYS 131 6.290 16.049 4.310 960 HD3 LYS 131 2HD LYS 131 7.786 15.262 3.846 961 HE2 LYS 131 1HE LYS 131 7.421 15.579 1.582 962 HE3 LYS 131 2HE LYS 131 5.688 15.358 1.717 963 HZ1 LYS 131 1HZ LYS 131 5.588 17.545 1.578 964 HZ2 LYS 131 2HZ LYS 131 6.176 17.630 3.099 965 HZ3 LYS 131 3HZ LYS 131 7.189 17.751 1.824 966 H THR 132 H THR 132 9.190 10.263 3.126 967 HA THR 132 HA THR 132 10.344 8.669 4.211 968 HB THR 132 HB THR 132 12.569 9.624 5.058 969 HG1 THR 132 1HG THR 132 11.331 11.639 5.763 970 HG21 THR 132 1HG2 THR 132 13.329 10.266 2.919 971 HG22 THR 132 2HG2 THR 132 11.859 9.358 2.491 972 HG23 THR 132 3HG2 THR 132 11.824 11.137 2.541 973 H SER 133 H SER 133 11.866 8.572 6.553 974 HA SER 133 HA SER 133 10.462 9.613 8.728 975 HB2 SER 133 1HB SER 133 8.681 8.100 8.353 976 HB3 SER 133 2HB SER 133 9.749 6.815 7.826 977 HG SER 133 HG SER 133 9.939 7.810 10.514 978 H GLY 134 H GLY 134 12.266 9.955 9.978 979 HA2 GLY 134 1HA GLY 134 13.896 9.238 11.443 980 HA3 GLY 134 2HA GLY 134 13.906 7.654 10.692 981 HA PRO 135 HA PRO 135 17.599 9.590 9.066 982 HB2 PRO 135 1HB PRO 135 19.182 7.364 9.145 983 HB3 PRO 135 2HB PRO 135 19.076 8.512 10.464 984 HG2 PRO 135 1HG PRO 135 17.891 5.812 10.257 985 HG3 PRO 135 2HG PRO 135 18.159 6.786 11.689 986 HD2 PRO 135 1HD PRO 135 15.661 6.362 10.346 987 HD3 PRO 135 2HD PRO 135 15.952 7.427 11.707 988 H SER 136 H SER 136 19.234 8.721 7.245 989 HA SER 136 HA SER 136 19.406 8.225 5.141 990 HB2 SER 136 1HB SER 136 18.361 5.962 6.233 991 HB3 SER 136 2HB SER 136 17.095 6.318 5.075 992 HG SER 136 HG SER 136 19.375 6.667 3.729 993 H SER 137 H SER 137 18.833 9.849 3.742 994 HA SER 137 HA SER 137 16.189 9.879 2.727 995 HB2 SER 137 1HB SER 137 15.827 12.345 3.286 996 HB3 SER 137 2HB SER 137 15.643 11.228 4.624 997 HG SER 137 HG SER 137 17.005 13.265 4.936 998 H GLY 138 H GLY 138 16.007 11.548 0.904 999 HA2 GLY 138 1HA GLY 138 18.569 12.616 -0.014 1000 HA3 GLY 138 2HA GLY 138 17.806 11.393 -1.011 Start of MODEL 10 1 H1 GLY 1 H GLY 1 16.848 4.754 23.548 2 HA2 GLY 1 1HA GLY 1 19.228 6.245 23.246 3 HA3 GLY 1 2HA GLY 1 18.127 5.739 21.980 4 H SER 2 H SER 2 19.014 8.056 21.300 5 HA SER 2 HA SER 2 16.854 9.747 21.343 6 HB2 SER 2 1HB SER 2 18.403 9.986 23.731 7 HB3 SER 2 2HB SER 2 18.769 11.403 22.767 8 HG SER 2 HG SER 2 16.860 12.197 23.290 9 H SER 3 H SER 3 17.335 11.801 20.124 10 HA SER 3 HA SER 3 18.320 12.937 18.559 11 HB2 SER 3 1HB SER 3 20.976 11.717 19.423 12 HB3 SER 3 2HB SER 3 20.754 13.197 18.512 13 HG SER 3 HG SER 3 19.303 13.643 20.643 14 H GLY 4 H GLY 4 19.509 12.707 16.376 15 HA2 GLY 4 1HA GLY 4 19.978 9.969 15.512 16 HA3 GLY 4 2HA GLY 4 18.584 10.763 14.809 17 H SER 5 H SER 5 19.572 10.717 12.687 18 HA SER 5 HA SER 5 21.050 13.047 12.170 19 HB2 SER 5 1HB SER 5 22.549 10.559 12.584 20 HB3 SER 5 2HB SER 5 22.806 11.193 10.971 21 HG SER 5 HG SER 5 24.309 12.031 12.620 22 H SER 6 H SER 6 20.771 13.640 9.985 23 HA SER 6 HA SER 6 20.405 11.837 7.936 24 HB2 SER 6 1HB SER 6 17.965 12.100 7.489 25 HB3 SER 6 2HB SER 6 18.279 11.231 8.978 26 HG SER 6 HG SER 6 16.828 13.488 8.639 27 H GLY 7 H GLY 7 19.373 13.068 5.919 28 HA2 GLY 7 1HA GLY 7 19.171 15.885 5.990 29 HA3 GLY 7 2HA GLY 7 20.797 15.428 5.521 30 H SER 8 H SER 8 19.758 16.694 3.527 31 HA SER 8 HA SER 8 19.494 14.797 1.518 32 HB2 SER 8 1HB SER 8 16.990 15.629 2.777 33 HB3 SER 8 2HB SER 8 17.011 16.095 1.088 34 HG SER 8 HG SER 8 16.224 13.834 1.713 35 H TRP 9 H TRP 9 19.231 15.890 -0.664 36 HA TRP 9 HA TRP 9 19.281 18.765 -0.672 37 HB2 TRP 9 1HB TRP 9 21.762 17.227 -0.687 38 HB3 TRP 9 2HB TRP 9 21.594 18.247 -2.102 39 HD1 TRP 9 HD TRP 9 23.359 18.583 0.888 40 HE1 TRP 9 1HE TRP 9 23.509 21.004 1.927 41 HE3 TRP 9 3HE TRP 9 19.441 20.513 -1.715 42 HZ2 TRP 9 2HZ TRP 9 22.007 23.401 1.552 43 HZ3 TRP 9 3HZ TRP 9 18.848 22.902 -1.320 44 HH2 TRP 9 HH TRP 9 20.060 24.333 0.248 45 H ASN 10 H ASN 10 20.421 15.920 -2.646 46 HA ASN 10 HA ASN 10 19.718 16.819 -5.063 47 HB2 ASN 10 1HB ASN 10 19.274 13.956 -4.064 48 HB3 ASN 10 2HB ASN 10 19.500 14.426 -5.737 49 HD21 ASN 10 1HD2 ASN 10 21.429 14.071 -6.494 50 HD22 ASN 10 2HD2 ASN 10 22.932 14.134 -5.634 51 H GLN 11 H GLN 11 17.777 15.780 -6.469 52 HA GLN 11 HA GLN 11 15.481 16.920 -5.837 53 HB2 GLN 11 1HB GLN 11 16.151 14.455 -7.421 54 HB3 GLN 11 2HB GLN 11 14.455 14.781 -7.127 55 HG2 GLN 11 1HG GLN 11 16.074 17.137 -8.007 56 HG3 GLN 11 2HG GLN 11 15.887 15.870 -9.202 57 HE21 GLN 11 1HE2 GLN 11 14.439 18.464 -7.542 58 HE22 GLN 11 2HE2 GLN 11 12.846 18.385 -8.217 59 H ALA 12 H ALA 12 13.333 16.095 -5.054 60 HA ALA 12 HA ALA 12 13.756 14.529 -2.646 61 HB1 ALA 12 1HB ALA 12 12.141 15.857 -1.811 62 HB2 ALA 12 2HB ALA 12 12.219 16.778 -3.332 63 HB3 ALA 12 3HB ALA 12 11.037 15.460 -3.149 64 HA PRO 13 HA PRO 13 11.922 10.972 -4.285 65 HB2 PRO 13 1HB PRO 13 10.928 9.767 -2.043 66 HB3 PRO 13 2HB PRO 13 12.618 9.694 -2.500 67 HG2 PRO 13 1HG PRO 13 11.342 11.297 -0.369 68 HG3 PRO 13 2HG PRO 13 13.033 10.883 -0.568 69 HD2 PRO 13 1HD PRO 13 11.806 13.410 -1.145 70 HD3 PRO 13 2HD PRO 13 13.471 12.959 -1.453 71 H LYS 14 H LYS 14 10.245 10.736 -5.609 72 HA LYS 14 HA LYS 14 7.724 11.789 -4.532 73 HB2 LYS 14 1HB LYS 14 9.097 12.117 -7.093 74 HB3 LYS 14 2HB LYS 14 7.445 11.568 -7.292 75 HG2 LYS 14 1HG LYS 14 6.866 13.437 -5.515 76 HG3 LYS 14 2HG LYS 14 8.441 14.087 -5.924 77 HD2 LYS 14 1HD LYS 14 6.176 13.539 -7.901 78 HD3 LYS 14 2HD LYS 14 6.654 15.118 -7.311 79 HE2 LYS 14 1HE LYS 14 8.536 13.249 -8.827 80 HE3 LYS 14 2HE LYS 14 7.591 14.505 -9.602 81 HZ1 LYS 14 1HZ LYS 14 9.808 15.240 -9.032 82 HZ2 LYS 14 2HZ LYS 14 8.690 16.123 -8.234 83 HZ3 LYS 14 3HZ LYS 14 9.533 14.968 -7.445 84 H LEU 15 H LEU 15 5.808 10.550 -4.767 85 HA LEU 15 HA LEU 15 6.161 7.859 -5.830 86 HB2 LEU 15 1HB LEU 15 6.641 7.340 -3.643 87 HB3 LEU 15 2HB LEU 15 5.587 8.578 -2.990 88 HG LEU 15 HG LEU 15 3.617 7.265 -3.502 89 HD11 LEU 15 1HD1 LEU 15 5.407 5.079 -4.580 90 HD12 LEU 15 2HD1 LEU 15 3.629 5.152 -4.583 91 HD13 LEU 15 3HD1 LEU 15 4.567 6.261 -5.612 92 HD21 LEU 15 1HD2 LEU 15 5.438 5.241 -2.254 93 HD22 LEU 15 2HD2 LEU 15 5.196 6.812 -1.453 94 HD23 LEU 15 3HD2 LEU 15 3.801 5.756 -1.781 95 H HIS 16 H HIS 16 4.578 7.540 -7.289 96 HA HIS 16 HA HIS 16 2.260 9.256 -7.153 97 HB2 HIS 16 1HB HIS 16 3.666 8.697 -9.248 98 HB3 HIS 16 2HB HIS 16 2.825 7.160 -9.248 99 HD1 HIS 16 1HD HIS 16 0.940 7.199 -10.869 100 HD2 HIS 16 2HD HIS 16 1.441 10.904 -8.968 101 HE1 HIS 16 1HE HIS 16 -0.877 8.730 -11.798 102 H TYR 17 H TYR 17 0.112 8.549 -6.871 103 HA TYR 17 HA TYR 17 -0.434 5.748 -6.582 104 HB2 TYR 17 1HB TYR 17 -1.235 6.215 -4.153 105 HB3 TYR 17 2HB TYR 17 0.505 6.195 -4.359 106 HD1 TYR 17 1HD TYR 17 1.817 8.261 -4.214 107 HD2 TYR 17 2HD TYR 17 -2.429 8.302 -3.693 108 HE1 TYR 17 1HE TYR 17 1.956 10.594 -3.213 109 HE2 TYR 17 2HE TYR 17 -2.276 10.635 -2.694 110 HH TYR 17 HH TYR 17 0.417 11.916 -1.514 111 H CYS 18 H CYS 18 -2.615 5.313 -6.891 112 HA CYS 18 HA CYS 18 -4.288 7.701 -7.179 113 HB2 CYS 18 1HB CYS 18 -4.061 6.770 -9.336 114 HB3 CYS 18 2HB CYS 18 -4.210 5.125 -8.751 115 HG CYS 18 HG CYS 18 -6.637 6.958 -7.779 116 H LEU 19 H LEU 19 -5.577 7.859 -5.367 117 HA LEU 19 HA LEU 19 -6.266 5.462 -3.918 118 HB2 LEU 19 1HB LEU 19 -7.048 8.328 -3.383 119 HB3 LEU 19 2HB LEU 19 -7.183 6.973 -2.280 120 HG LEU 19 HG LEU 19 -5.279 7.876 -1.456 121 HD11 LEU 19 1HD1 LEU 19 -3.424 6.587 -1.998 122 HD12 LEU 19 2HD1 LEU 19 -4.787 5.589 -2.560 123 HD13 LEU 19 3HD1 LEU 19 -3.835 6.535 -3.730 124 HD21 LEU 19 1HD2 LEU 19 -5.391 9.766 -3.121 125 HD22 LEU 19 2HD2 LEU 19 -3.758 9.317 -2.574 126 HD23 LEU 19 3HD2 LEU 19 -4.335 8.799 -4.177 127 H ASP 20 H ASP 20 -8.055 4.268 -4.276 128 HA ASP 20 HA ASP 20 -10.393 5.651 -5.246 129 HB2 ASP 20 1HB ASP 20 -9.352 4.860 -7.312 130 HB3 ASP 20 2HB ASP 20 -9.074 3.272 -6.626 131 H TYR 21 H TYR 21 -11.888 5.048 -3.667 132 HA TYR 21 HA TYR 21 -11.594 2.422 -2.428 133 HB2 TYR 21 1HB TYR 21 -11.822 4.620 -1.131 134 HB3 TYR 21 2HB TYR 21 -13.371 4.887 -1.905 135 HD1 TYR 21 1HD TYR 21 -11.553 2.714 0.491 136 HD2 TYR 21 2HD TYR 21 -15.364 3.831 -1.099 137 HE1 TYR 21 1HE TYR 21 -12.714 1.440 2.360 138 HE2 TYR 21 2HE TYR 21 -16.512 2.553 0.776 139 HH TYR 21 HH TYR 21 -14.810 0.395 2.791 140 H ASP 22 H ASP 22 -13.244 0.856 -2.408 141 HA ASP 22 HA ASP 22 -15.433 1.455 -4.240 142 HB2 ASP 22 1HB ASP 22 -13.510 -0.316 -4.832 143 HB3 ASP 22 2HB ASP 22 -14.439 -1.363 -3.778 144 H CYS 23 H CYS 23 -16.800 2.036 -2.383 145 HA CYS 23 HA CYS 23 -17.059 0.842 -0.020 146 HB2 CYS 23 1HB CYS 23 -18.422 2.711 -0.417 147 HB3 CYS 23 2HB CYS 23 -19.150 2.012 -1.850 148 HG CYS 23 HG CYS 23 -20.450 0.105 -0.668 149 H GLN 24 H GLN 24 -18.077 -0.403 -3.213 150 HA GLN 24 HA GLN 24 -19.734 -2.422 -2.346 151 HB2 GLN 24 1HB GLN 24 -17.896 -2.637 -4.758 152 HB3 GLN 24 2HB GLN 24 -19.485 -3.348 -4.554 153 HG2 GLN 24 1HG GLN 24 -19.758 -0.511 -4.144 154 HG3 GLN 24 2HG GLN 24 -18.804 -0.737 -5.596 155 HE21 GLN 24 1HE2 GLN 24 -20.013 -0.624 -7.316 156 HE22 GLN 24 2HE2 GLN 24 -21.580 -1.324 -7.553 157 H LYS 25 H LYS 25 -16.162 -2.414 -2.962 158 HA LYS 25 HA LYS 25 -15.996 -5.111 -1.903 159 HB2 LYS 25 1HB LYS 25 -13.625 -3.492 -2.777 160 HB3 LYS 25 2HB LYS 25 -13.885 -5.222 -2.859 161 HG2 LYS 25 1HG LYS 25 -15.863 -4.587 -4.506 162 HG3 LYS 25 2HG LYS 25 -15.022 -3.056 -4.651 163 HD2 LYS 25 1HD LYS 25 -13.327 -3.959 -5.897 164 HD3 LYS 25 2HD LYS 25 -13.205 -5.380 -4.878 165 HE2 LYS 25 1HE LYS 25 -15.308 -6.285 -5.977 166 HE3 LYS 25 2HE LYS 25 -15.293 -4.906 -7.058 167 HZ1 LYS 25 1HZ LYS 25 -13.732 -7.246 -7.162 168 HZ2 LYS 25 2HZ LYS 25 -13.940 -6.096 -8.303 169 HZ3 LYS 25 3HZ LYS 25 -12.773 -5.924 -7.173 170 H ALA 26 H ALA 26 -16.020 -1.893 -0.767 171 HA ALA 26 HA ALA 26 -15.390 -0.916 1.121 172 HB1 ALA 26 1HB ALA 26 -16.447 -1.980 2.796 173 HB2 ALA 26 2HB ALA 26 -16.609 -3.390 1.722 174 HB3 ALA 26 3HB ALA 26 -15.216 -3.265 2.824 175 H GLU 27 H GLU 27 -13.252 -1.540 -0.648 176 HA GLU 27 HA GLU 27 -11.157 -1.809 1.335 177 HB2 GLU 27 1HB GLU 27 -11.282 -3.358 -1.288 178 HB3 GLU 27 2HB GLU 27 -9.830 -3.215 -0.317 179 HG2 GLU 27 1HG GLU 27 -11.926 -3.996 1.474 180 HG3 GLU 27 2HG GLU 27 -12.094 -5.002 0.049 181 H LEU 28 H LEU 28 -9.461 -0.359 1.028 182 HA LEU 28 HA LEU 28 -9.873 1.588 -1.058 183 HB2 LEU 28 1HB LEU 28 -9.360 2.125 1.340 184 HB3 LEU 28 2HB LEU 28 -7.748 1.489 1.083 185 HG LEU 28 HG LEU 28 -7.987 3.996 0.967 186 HD11 LEU 28 1HD1 LEU 28 -6.814 3.785 -1.558 187 HD12 LEU 28 2HD1 LEU 28 -5.998 3.703 0.022 188 HD13 LEU 28 3HD1 LEU 28 -6.526 2.207 -0.786 189 HD21 LEU 28 1HD2 LEU 28 -9.256 3.462 -1.730 190 HD22 LEU 28 2HD2 LEU 28 -10.148 3.981 -0.280 191 HD23 LEU 28 3HD2 LEU 28 -8.905 5.041 -0.987 192 H PHE 29 H PHE 29 -8.477 2.028 -2.788 193 HA PHE 29 HA PHE 29 -6.422 -0.029 -3.204 194 HB2 PHE 29 1HB PHE 29 -8.352 1.440 -5.093 195 HB3 PHE 29 2HB PHE 29 -7.016 0.476 -5.691 196 HD1 PHE 29 1HD PHE 29 -10.245 0.349 -3.933 197 HD2 PHE 29 2HD PHE 29 -7.121 -1.918 -5.697 198 HE1 PHE 29 1HE PHE 29 -11.688 -1.703 -3.851 199 HE2 PHE 29 2HE PHE 29 -8.564 -3.970 -5.615 200 HZ PHE 29 HZ PHE 29 -10.830 -3.838 -4.693 201 H VAL 30 H VAL 30 -4.410 0.636 -4.028 202 HA VAL 30 HA VAL 30 -4.124 3.532 -4.417 203 HB VAL 30 HB VAL 30 -2.193 1.719 -2.959 204 HG11 VAL 30 1HG1 VAL 30 -1.959 4.606 -2.550 205 HG12 VAL 30 2HG1 VAL 30 -0.717 3.405 -2.979 206 HG13 VAL 30 3HG1 VAL 30 -1.727 4.134 -4.250 207 HG21 VAL 30 1HG2 VAL 30 -3.462 3.885 -1.432 208 HG22 VAL 30 2HG2 VAL 30 -4.600 2.626 -1.967 209 HG23 VAL 30 3HG2 VAL 30 -3.177 2.184 -0.993 210 H THR 31 H THR 31 -4.493 2.770 -6.713 211 HA THR 31 HA THR 31 -2.317 1.220 -7.839 212 HB THR 31 HB THR 31 -3.726 1.519 -9.926 213 HG1 THR 31 1HG THR 31 -5.610 2.826 -9.644 214 HG21 THR 31 1HG2 THR 31 -5.063 0.600 -7.343 215 HG22 THR 31 2HG2 THR 31 -5.927 0.552 -8.898 216 HG23 THR 31 3HG2 THR 31 -4.442 -0.403 -8.676 217 H ARG 32 H ARG 32 -1.957 2.393 -10.324 218 HA ARG 32 HA ARG 32 -0.633 3.797 -11.300 219 HB2 ARG 32 1HB ARG 32 -2.023 5.828 -9.482 220 HB3 ARG 32 2HB ARG 32 -1.019 6.276 -10.847 221 HG2 ARG 32 1HG ARG 32 -3.355 4.364 -11.207 222 HG3 ARG 32 2HG ARG 32 -3.616 6.097 -11.194 223 HD2 ARG 32 1HD ARG 32 -1.481 5.913 -12.940 224 HD3 ARG 32 2HD ARG 32 -2.297 4.396 -13.262 225 HE ARG 32 HE ARG 32 -3.267 7.061 -13.929 226 HH11 ARG 32 2HH2 ARG 32 -4.286 3.782 -13.159 227 HH12 ARG 32 1HH2 ARG 32 -5.806 3.925 -13.978 228 HH21 ARG 32 2HH1 ARG 32 -5.271 7.250 -15.010 229 HH22 ARG 32 1HH1 ARG 32 -6.370 5.911 -15.039 230 H LEU 33 H LEU 33 1.032 2.528 -9.836 231 HA LEU 33 HA LEU 33 2.264 4.280 -7.863 232 HB2 LEU 33 1HB LEU 33 2.215 1.377 -8.423 233 HB3 LEU 33 2HB LEU 33 3.740 2.013 -7.840 234 HG LEU 33 HG LEU 33 2.714 1.378 -5.881 235 HD11 LEU 33 1HD1 LEU 33 1.483 4.101 -5.850 236 HD12 LEU 33 2HD1 LEU 33 2.498 3.284 -4.637 237 HD13 LEU 33 3HD1 LEU 33 3.239 3.959 -6.108 238 HD21 LEU 33 1HD2 LEU 33 0.463 1.075 -7.264 239 HD22 LEU 33 2HD2 LEU 33 0.487 1.118 -5.485 240 HD23 LEU 33 3HD2 LEU 33 0.033 2.573 -6.403 241 H GLU 34 H GLU 34 3.832 5.660 -8.472 242 HA GLU 34 HA GLU 34 5.707 4.726 -10.456 243 HB2 GLU 34 1HB GLU 34 4.145 7.331 -10.728 244 HB3 GLU 34 2HB GLU 34 5.559 6.934 -11.684 245 HG2 GLU 34 1HG GLU 34 4.444 4.998 -12.672 246 HG3 GLU 34 2HG GLU 34 3.090 5.145 -11.569 247 H ALA 35 H ALA 35 7.251 4.616 -8.745 248 HA ALA 35 HA ALA 35 7.655 6.817 -6.997 249 HB1 ALA 35 1HB ALA 35 8.208 4.624 -6.224 250 HB2 ALA 35 2HB ALA 35 9.207 4.291 -7.659 251 HB3 ALA 35 3HB ALA 35 9.757 5.471 -6.445 252 H VAL 36 H VAL 36 8.912 8.616 -7.252 253 HA VAL 36 HA VAL 36 10.622 8.658 -9.642 254 HB VAL 36 HB VAL 36 8.789 10.716 -8.441 255 HG11 VAL 36 1HG1 VAL 36 10.066 12.029 -10.511 256 HG12 VAL 36 2HG1 VAL 36 10.360 12.286 -8.774 257 HG13 VAL 36 3HG1 VAL 36 11.401 11.176 -9.699 258 HG21 VAL 36 1HG2 VAL 36 7.860 10.852 -10.638 259 HG22 VAL 36 2HG2 VAL 36 9.193 9.900 -11.333 260 HG23 VAL 36 3HG2 VAL 36 8.017 9.123 -10.246 261 H THR 37 H THR 37 12.316 7.739 -8.225 262 HA THR 37 HA THR 37 13.441 9.827 -6.475 263 HB THR 37 HB THR 37 14.269 7.960 -5.061 264 HG1 THR 37 1HG THR 37 14.409 6.467 -6.939 265 HG21 THR 37 1HG2 THR 37 11.312 7.926 -5.788 266 HG22 THR 37 2HG2 THR 37 11.968 6.768 -4.606 267 HG23 THR 37 3HG2 THR 37 12.076 8.516 -4.292 268 H SER 38 H SER 38 14.838 10.821 -7.872 269 HA SER 38 HA SER 38 16.167 9.805 -9.922 270 HB2 SER 38 1HB SER 38 16.467 12.106 -9.520 271 HB3 SER 38 2HB SER 38 16.948 11.861 -7.853 272 HG SER 38 HG SER 38 18.569 10.869 -10.019 273 H ASN 39 H ASN 39 17.529 9.908 -6.541 274 HA ASN 39 HA ASN 39 18.383 7.328 -6.507 275 HB2 ASN 39 1HB ASN 39 19.998 8.783 -8.306 276 HB3 ASN 39 2HB ASN 39 20.946 8.775 -6.832 277 HD21 ASN 39 1HD2 ASN 39 22.086 7.518 -8.774 278 HD22 ASN 39 2HD2 ASN 39 21.985 5.792 -8.662 279 H HIS 40 H HIS 40 20.072 7.022 -4.638 280 HA HIS 40 HA HIS 40 20.824 9.226 -3.087 281 HB2 HIS 40 1HB HIS 40 19.330 8.730 -1.109 282 HB3 HIS 40 2HB HIS 40 18.587 9.568 -2.456 283 HD1 HIS 40 1HD HIS 40 18.347 6.479 -0.418 284 HD2 HIS 40 2HD HIS 40 16.798 7.914 -4.043 285 HE1 HIS 40 1HE HIS 40 16.391 4.953 -1.015 286 H ASP 41 H ASP 41 19.551 5.868 -2.483 287 HA ASP 41 HA ASP 41 22.094 4.768 -2.350 288 HB2 ASP 41 1HB ASP 41 22.007 4.219 0.169 289 HB3 ASP 41 2HB ASP 41 22.494 5.845 -0.266 290 H GLY 42 H GLY 42 21.125 3.012 -3.484 291 HA2 GLY 42 1HA GLY 42 19.294 1.345 -1.912 292 HA3 GLY 42 2HA GLY 42 18.777 1.876 -3.500 293 H GLY 43 H GLY 43 19.478 0.782 -5.322 294 HA2 GLY 43 1HA GLY 43 20.962 -0.472 -6.581 295 HA3 GLY 43 2HA GLY 43 21.864 -0.892 -5.139 296 H CYS 44 H CYS 44 19.356 -1.589 -3.592 297 HA CYS 44 HA CYS 44 19.144 -4.272 -4.637 298 HB2 CYS 44 1HB CYS 44 18.010 -3.111 -2.072 299 HB3 CYS 44 2HB CYS 44 18.077 -4.807 -2.505 300 HG CYS 44 HG CYS 44 20.642 -2.718 -2.298 301 H ASP 45 H ASP 45 16.643 -5.137 -4.079 302 HA ASP 45 HA ASP 45 15.102 -3.724 -5.998 303 HB2 ASP 45 1HB ASP 45 13.835 -5.841 -4.301 304 HB3 ASP 45 2HB ASP 45 13.764 -5.623 -6.038 305 H CYS 46 H CYS 46 13.255 -2.412 -5.566 306 HA CYS 46 HA CYS 46 12.672 -2.015 -2.720 307 HB2 CYS 46 1HB CYS 46 11.992 0.311 -3.366 308 HB3 CYS 46 2HB CYS 46 13.704 -0.020 -3.538 309 HG CYS 46 HG CYS 46 13.937 0.327 -5.880 310 H TYR 47 H TYR 47 10.305 -1.117 -2.453 311 HA TYR 47 HA TYR 47 8.473 -1.853 -4.535 312 HB2 TYR 47 1HB TYR 47 7.361 -3.552 -2.966 313 HB3 TYR 47 2HB TYR 47 8.950 -4.062 -3.502 314 HD1 TYR 47 1HD TYR 47 7.102 -2.553 -0.648 315 HD2 TYR 47 2HD TYR 47 10.710 -4.452 -1.945 316 HE1 TYR 47 1HE TYR 47 7.839 -2.823 1.771 317 HE2 TYR 47 2HE TYR 47 11.434 -4.716 0.477 318 HH TYR 47 HH TYR 47 10.966 -4.328 2.545 319 H VAL 48 H VAL 48 6.202 -1.325 -3.930 320 HA VAL 48 HA VAL 48 6.220 0.929 -2.096 321 HB VAL 48 HB VAL 48 3.964 -0.006 -3.861 322 HG11 VAL 48 1HG1 VAL 48 2.944 1.907 -3.292 323 HG12 VAL 48 2HG1 VAL 48 4.151 2.038 -1.991 324 HG13 VAL 48 3HG1 VAL 48 4.422 2.866 -3.543 325 HG21 VAL 48 1HG2 VAL 48 6.072 0.183 -5.194 326 HG22 VAL 48 2HG2 VAL 48 4.812 1.346 -5.671 327 HG23 VAL 48 3HG2 VAL 48 6.192 1.884 -4.685 328 H GLN 49 H GLN 49 4.926 1.074 -0.240 329 HA GLN 49 HA GLN 49 3.442 -1.343 0.403 330 HB2 GLN 49 1HB GLN 49 5.631 -1.483 1.549 331 HB3 GLN 49 2HB GLN 49 5.386 0.100 2.260 332 HG2 GLN 49 1HG GLN 49 3.051 -1.226 2.994 333 HG3 GLN 49 2HG GLN 49 4.230 -2.521 3.042 334 HE21 GLN 49 1HE2 GLN 49 3.014 -1.733 5.318 335 HE22 GLN 49 2HE2 GLN 49 4.110 -0.913 6.379 336 H GLY 50 H GLY 50 1.391 -0.917 1.145 337 HA2 GLY 50 1HA GLY 50 0.840 1.862 2.003 338 HA3 GLY 50 2HA GLY 50 -0.245 0.911 1.008 339 H SER 51 H SER 51 0.073 2.048 4.058 340 HA SER 51 HA SER 51 -1.109 -0.364 5.196 341 HB2 SER 51 1HB SER 51 1.174 0.480 6.117 342 HB3 SER 51 2HB SER 51 0.269 1.809 6.814 343 HG SER 51 HG SER 51 -1.144 -0.271 7.549 344 H VAL 52 H VAL 52 -2.923 -0.023 6.695 345 HA VAL 52 HA VAL 52 -4.041 2.679 6.627 346 HB VAL 52 HB VAL 52 -5.082 0.258 5.339 347 HG11 VAL 52 1HG1 VAL 52 -7.463 0.790 5.865 348 HG12 VAL 52 2HG1 VAL 52 -6.547 0.169 7.260 349 HG13 VAL 52 3HG1 VAL 52 -6.896 1.909 7.128 350 HG21 VAL 52 1HG2 VAL 52 -4.644 2.879 4.639 351 HG22 VAL 52 2HG2 VAL 52 -5.651 1.726 3.731 352 HG23 VAL 52 3HG2 VAL 52 -6.406 2.849 4.887 353 H ALA 53 H ALA 53 -5.229 3.238 8.488 354 HA ALA 53 HA ALA 53 -5.327 1.153 10.554 355 HB1 ALA 53 1HB ALA 53 -3.800 2.302 11.733 356 HB2 ALA 53 2HB ALA 53 -3.743 3.574 10.489 357 HB3 ALA 53 3HB ALA 53 -4.937 3.669 11.805 358 H ASN 54 H ASN 54 -7.448 0.764 10.942 359 HA ASN 54 HA ASN 54 -9.245 3.031 10.659 360 HB2 ASN 54 1HB ASN 54 -10.919 0.880 10.921 361 HB3 ASN 54 2HB ASN 54 -10.296 1.416 9.374 362 HD21 ASN 54 1HD2 ASN 54 -9.588 -0.156 8.171 363 HD22 ASN 54 2HD2 ASN 54 -8.760 -1.589 8.682 364 H ARG 55 H ARG 55 -11.387 2.349 12.234 365 HA ARG 55 HA ARG 55 -10.261 2.556 14.839 366 HB2 ARG 55 1HB ARG 55 -12.765 3.234 13.526 367 HB3 ARG 55 2HB ARG 55 -13.124 2.295 14.961 368 HG2 ARG 55 1HG ARG 55 -11.692 3.838 16.324 369 HG3 ARG 55 2HG ARG 55 -11.351 4.783 14.888 370 HD2 ARG 55 1HD ARG 55 -13.952 5.012 14.656 371 HD3 ARG 55 2HD ARG 55 -14.018 4.446 16.313 372 HE ARG 55 HE ARG 55 -12.090 6.549 16.180 373 HH11 ARG 55 2HH2 ARG 55 -15.565 6.078 15.891 374 HH12 ARG 55 1HH2 ARG 55 -15.955 7.679 16.424 375 HH21 ARG 55 2HH1 ARG 55 -12.604 8.661 16.884 376 HH22 ARG 55 1HH1 ARG 55 -14.259 9.158 16.993 377 H THR 56 H THR 56 -10.624 -0.042 12.915 378 HA THR 56 HA THR 56 -11.648 -1.771 15.072 379 HB THR 56 HB THR 56 -12.138 -3.335 13.085 380 HG1 THR 56 1HG THR 56 -11.846 -0.810 11.652 381 HG21 THR 56 1HG2 THR 56 -14.122 -2.223 13.769 382 HG22 THR 56 2HG2 THR 56 -13.451 -0.614 13.408 383 HG23 THR 56 3HG2 THR 56 -13.957 -1.687 12.080 384 H GLY 57 H GLY 57 -9.003 -1.032 12.838 385 HA2 GLY 57 1HA GLY 57 -7.085 -2.328 14.388 386 HA3 GLY 57 2HA GLY 57 -7.582 -3.455 13.141 387 H SER 58 H SER 58 -6.218 -3.429 11.414 388 HA SER 58 HA SER 58 -5.790 -1.054 10.005 389 HB2 SER 58 1HB SER 58 -3.157 -1.302 10.273 390 HB3 SER 58 2HB SER 58 -4.082 -0.325 11.395 391 HG SER 58 HG SER 58 -2.738 -1.681 12.620 392 H VAL 59 H VAL 59 -4.502 -1.484 7.982 393 HA VAL 59 HA VAL 59 -4.008 -4.324 7.513 394 HB VAL 59 HB VAL 59 -5.116 -3.762 5.183 395 HG11 VAL 59 1HG1 VAL 59 -7.340 -4.290 6.931 396 HG12 VAL 59 2HG1 VAL 59 -6.456 -5.408 5.865 397 HG13 VAL 59 3HG1 VAL 59 -5.898 -5.142 7.534 398 HG21 VAL 59 1HG2 VAL 59 -5.716 -1.489 5.505 399 HG22 VAL 59 2HG2 VAL 59 -7.233 -2.414 5.617 400 HG23 VAL 59 3HG2 VAL 59 -6.439 -1.823 7.097 401 H GLU 60 H GLU 60 -2.607 -4.687 5.599 402 HA GLU 60 HA GLU 60 -1.270 -2.289 4.693 403 HB2 GLU 60 1HB GLU 60 0.029 -4.543 6.242 404 HB3 GLU 60 2HB GLU 60 0.963 -3.655 5.055 405 HG2 GLU 60 1HG GLU 60 0.668 -1.569 6.216 406 HG3 GLU 60 2HG GLU 60 -0.636 -2.205 7.199 407 H ALA 61 H ALA 61 0.341 -2.879 2.843 408 HA ALA 61 HA ALA 61 0.097 -5.371 1.567 409 HB1 ALA 61 1HB ALA 61 -1.553 -3.118 0.352 410 HB2 ALA 61 2HB ALA 61 -1.316 -4.747 -0.325 411 HB3 ALA 61 3HB ALA 61 -2.226 -4.537 1.190 412 H GLN 62 H GLN 62 1.110 -5.229 -0.709 413 HA GLN 62 HA GLN 62 2.594 -2.830 -1.164 414 HB2 GLN 62 1HB GLN 62 4.802 -4.172 -1.229 415 HB3 GLN 62 2HB GLN 62 4.179 -3.728 0.348 416 HG2 GLN 62 1HG GLN 62 4.532 -5.967 0.779 417 HG3 GLN 62 2HG GLN 62 2.923 -6.113 0.100 418 HE21 GLN 62 1HE2 GLN 62 6.370 -6.244 -0.624 419 HE22 GLN 62 2HE2 GLN 62 6.285 -7.311 -1.986 420 H THR 63 H THR 63 4.081 -3.189 -3.214 421 HA THR 63 HA THR 63 2.500 -4.817 -5.077 422 HB THR 63 HB THR 63 3.569 -3.256 -6.770 423 HG1 THR 63 1HG THR 63 5.464 -2.728 -5.524 424 HG21 THR 63 1HG2 THR 63 1.437 -2.655 -5.171 425 HG22 THR 63 2HG2 THR 63 2.568 -1.387 -4.640 426 HG23 THR 63 3HG2 THR 63 2.098 -1.501 -6.354 427 H ALA 64 H ALA 64 4.074 -5.373 -7.121 428 HA ALA 64 HA ALA 64 5.829 -7.337 -6.001 429 HB1 ALA 64 1HB ALA 64 4.504 -7.961 -7.896 430 HB2 ALA 64 2HB ALA 64 5.028 -6.531 -8.818 431 HB3 ALA 64 3HB ALA 64 6.183 -7.841 -8.476 432 H LEU 65 H LEU 65 8.071 -7.346 -5.964 433 HA LEU 65 HA LEU 65 9.423 -4.987 -5.777 434 HB2 LEU 65 1HB LEU 65 10.152 -7.836 -6.146 435 HB3 LEU 65 2HB LEU 65 11.407 -6.663 -6.490 436 HG LEU 65 HG LEU 65 11.495 -7.535 -4.184 437 HD11 LEU 65 1HD1 LEU 65 10.771 -4.641 -3.905 438 HD12 LEU 65 2HD1 LEU 65 12.146 -5.548 -3.231 439 HD13 LEU 65 3HD1 LEU 65 12.129 -5.109 -4.956 440 HD21 LEU 65 1HD2 LEU 65 8.716 -6.385 -4.043 441 HD22 LEU 65 2HD2 LEU 65 9.305 -7.989 -3.545 442 HD23 LEU 65 3HD2 LEU 65 9.722 -6.550 -2.584 443 H LYS 66 H LYS 66 10.838 -3.783 -7.148 444 HA LYS 66 HA LYS 66 10.789 -4.470 -9.968 445 HB2 LYS 66 1HB LYS 66 9.403 -2.093 -8.774 446 HB3 LYS 66 2HB LYS 66 10.188 -1.921 -10.331 447 HG2 LYS 66 1HG LYS 66 8.691 -4.414 -10.292 448 HG3 LYS 66 2HG LYS 66 7.643 -3.109 -9.773 449 HD2 LYS 66 1HD LYS 66 8.458 -1.785 -11.822 450 HD3 LYS 66 2HD LYS 66 9.243 -3.254 -12.367 451 HE2 LYS 66 1HE LYS 66 7.094 -4.446 -12.448 452 HE3 LYS 66 2HE LYS 66 6.264 -3.089 -11.714 453 HZ1 LYS 66 1HZ LYS 66 7.704 -2.281 -13.997 454 HZ2 LYS 66 2HZ LYS 66 6.670 -3.489 -14.369 455 HZ3 LYS 66 3HZ LYS 66 6.111 -2.121 -13.673 456 H LYS 67 H LYS 67 12.623 -3.746 -11.072 457 HA LYS 67 HA LYS 67 14.867 -3.219 -9.496 458 HB2 LYS 67 1HB LYS 67 15.360 -4.281 -11.479 459 HB3 LYS 67 2HB LYS 67 14.252 -3.304 -12.422 460 HG2 LYS 67 1HG LYS 67 15.812 -1.666 -12.805 461 HG3 LYS 67 2HG LYS 67 16.422 -1.722 -11.163 462 HD2 LYS 67 1HD LYS 67 18.193 -2.478 -12.656 463 HD3 LYS 67 2HD LYS 67 17.648 -3.854 -11.718 464 HE2 LYS 67 1HE LYS 67 16.023 -4.318 -13.729 465 HE3 LYS 67 2HE LYS 67 17.044 -3.213 -14.628 466 HZ1 LYS 67 1HZ LYS 67 18.887 -4.594 -14.281 467 HZ2 LYS 67 2HZ LYS 67 18.129 -5.507 -13.159 468 HZ3 LYS 67 3HZ LYS 67 17.676 -5.596 -14.726 469 H ARG 68 H ARG 68 15.823 -1.364 -8.772 470 HA ARG 68 HA ARG 68 14.367 0.905 -8.557 471 HB2 ARG 68 1HB ARG 68 16.483 1.998 -7.857 472 HB3 ARG 68 2HB ARG 68 16.384 0.379 -7.193 473 HG2 ARG 68 1HG ARG 68 17.621 0.029 -9.714 474 HG3 ARG 68 2HG ARG 68 18.340 1.495 -9.077 475 HD2 ARG 68 1HD ARG 68 19.278 0.400 -7.218 476 HD3 ARG 68 2HD ARG 68 18.069 -0.868 -7.214 477 HE ARG 68 HE ARG 68 19.348 -2.080 -8.767 478 HH11 ARG 68 2HH2 ARG 68 20.527 1.232 -8.603 479 HH12 ARG 68 1HH2 ARG 68 21.932 0.914 -9.564 480 HH21 ARG 68 2HH1 ARG 68 21.202 -2.499 -10.035 481 HH22 ARG 68 1HH1 ARG 68 22.319 -1.222 -10.384 482 H GLN 69 H GLN 69 13.996 2.725 -9.842 483 HA GLN 69 HA GLN 69 15.769 3.199 -12.055 484 HB2 GLN 69 1HB GLN 69 12.814 2.557 -12.409 485 HB3 GLN 69 2HB GLN 69 13.747 3.401 -13.629 486 HG2 GLN 69 1HG GLN 69 14.533 0.678 -12.491 487 HG3 GLN 69 2HG GLN 69 13.596 0.879 -13.957 488 HE21 GLN 69 1HE2 GLN 69 14.603 2.694 -15.432 489 HE22 GLN 69 2HE2 GLN 69 16.285 2.494 -15.795 490 H LEU 70 H LEU 70 15.394 5.379 -13.044 491 HA LEU 70 HA LEU 70 14.941 7.296 -11.070 492 HB2 LEU 70 1HB LEU 70 15.219 7.398 -14.062 493 HB3 LEU 70 2HB LEU 70 14.909 8.845 -13.123 494 HG LEU 70 HG LEU 70 17.030 7.839 -11.754 495 HD11 LEU 70 1HD1 LEU 70 17.488 5.964 -13.115 496 HD12 LEU 70 2HD1 LEU 70 17.322 6.910 -14.614 497 HD13 LEU 70 3HD1 LEU 70 18.712 7.186 -13.537 498 HD21 LEU 70 1HD2 LEU 70 18.047 9.743 -12.395 499 HD22 LEU 70 2HD2 LEU 70 17.796 9.425 -14.128 500 HD23 LEU 70 3HD2 LEU 70 16.472 10.095 -13.146 501 H HIS 71 H HIS 71 12.749 5.421 -12.972 502 HA HIS 71 HA HIS 71 10.556 6.826 -11.801 503 HB2 HIS 71 1HB HIS 71 11.207 8.083 -13.963 504 HB3 HIS 71 2HB HIS 71 10.566 6.691 -14.815 505 HD1 HIS 71 1HD HIS 71 8.849 8.648 -15.714 506 HD2 HIS 71 2HD HIS 71 8.410 7.388 -11.737 507 HE1 HIS 71 1HE HIS 71 6.524 9.400 -14.978 508 H THR 72 H THR 72 10.599 4.637 -10.808 509 HA THR 72 HA THR 72 10.104 2.376 -12.491 510 HB THR 72 HB THR 72 9.971 2.867 -9.470 511 HG1 THR 72 1HG THR 72 12.023 1.500 -9.877 512 HG21 THR 72 1HG2 THR 72 10.240 0.361 -9.344 513 HG22 THR 72 2HG2 THR 72 8.663 0.833 -10.019 514 HG23 THR 72 3HG2 THR 72 9.961 0.271 -11.100 515 H THR 73 H THR 73 8.193 1.132 -12.686 516 HA THR 73 HA THR 73 5.744 2.442 -11.768 517 HB THR 73 HB THR 73 4.813 2.215 -14.099 518 HG1 THR 73 1HG THR 73 6.480 0.500 -14.592 519 HG21 THR 73 1HG2 THR 73 5.778 4.171 -14.951 520 HG22 THR 73 2HG2 THR 73 6.336 4.291 -13.265 521 HG23 THR 73 3HG2 THR 73 7.428 3.660 -14.521 522 H TRP 74 H TRP 74 3.898 1.039 -11.659 523 HA TRP 74 HA TRP 74 4.689 -1.795 -11.699 524 HB2 TRP 74 1HB TRP 74 3.071 -0.238 -9.696 525 HB3 TRP 74 2HB TRP 74 2.886 -1.972 -9.868 526 HD1 TRP 74 HD TRP 74 4.822 -3.500 -8.819 527 HE1 TRP 74 1HE TRP 74 6.955 -3.103 -7.316 528 HE3 TRP 74 3HE TRP 74 4.916 1.554 -9.370 529 HZ2 TRP 74 2HZ TRP 74 8.409 -0.772 -6.544 530 HZ3 TRP 74 3HZ TRP 74 6.726 2.816 -8.208 531 HH2 TRP 74 HH TRP 74 8.433 1.733 -6.833 532 H GLU 75 H GLU 75 2.354 -3.090 -11.579 533 HA GLU 75 HA GLU 75 0.839 -1.924 -13.781 534 HB2 GLU 75 1HB GLU 75 2.171 -4.299 -13.816 535 HB3 GLU 75 2HB GLU 75 0.628 -4.853 -13.198 536 HG2 GLU 75 1HG GLU 75 -0.456 -3.526 -15.152 537 HG3 GLU 75 2HG GLU 75 1.160 -3.393 -15.817 538 H GLU 76 H GLU 76 0.724 -3.544 -10.593 539 HA GLU 76 HA GLU 76 -2.159 -3.142 -10.596 540 HB2 GLU 76 1HB GLU 76 -2.233 -4.768 -8.756 541 HB3 GLU 76 2HB GLU 76 -1.384 -5.452 -10.128 542 HG2 GLU 76 1HG GLU 76 0.807 -4.746 -9.041 543 HG3 GLU 76 2HG GLU 76 -0.105 -4.243 -7.632 544 H GLY 77 H GLY 77 -2.787 -2.920 -7.944 545 HA2 GLY 77 1HA GLY 77 -1.132 -0.689 -6.938 546 HA3 GLY 77 2HA GLY 77 -2.874 -0.552 -7.071 547 H LEU 78 H LEU 78 -1.963 -0.144 -4.581 548 HA LEU 78 HA LEU 78 -1.980 -2.690 -3.174 549 HB2 LEU 78 1HB LEU 78 -1.619 0.090 -2.060 550 HB3 LEU 78 2HB LEU 78 -1.288 -1.432 -1.256 551 HG LEU 78 HG LEU 78 0.189 -0.491 -3.727 552 HD11 LEU 78 1HD1 LEU 78 0.363 0.937 -1.540 553 HD12 LEU 78 2HD1 LEU 78 1.391 -0.404 -0.981 554 HD13 LEU 78 3HD1 LEU 78 1.829 0.500 -2.450 555 HD21 LEU 78 1HD2 LEU 78 0.655 -2.751 -1.770 556 HD22 LEU 78 2HD2 LEU 78 0.347 -2.854 -3.520 557 HD23 LEU 78 3HD2 LEU 78 1.881 -2.176 -2.925 558 H VAL 79 H VAL 79 -3.809 -3.544 -2.347 559 HA VAL 79 HA VAL 79 -6.065 -1.693 -1.990 560 HB VAL 79 HB VAL 79 -7.096 -3.004 -3.445 561 HG11 VAL 79 1HG1 VAL 79 -4.878 -3.806 -4.235 562 HG12 VAL 79 2HG1 VAL 79 -4.985 -5.157 -3.081 563 HG13 VAL 79 3HG1 VAL 79 -6.164 -5.026 -4.408 564 HG21 VAL 79 1HG2 VAL 79 -6.808 -5.154 -1.318 565 HG22 VAL 79 2HG2 VAL 79 -8.069 -3.899 -1.376 566 HG23 VAL 79 3HG2 VAL 79 -7.995 -5.146 -2.645 567 H LEU 80 H LEU 80 -7.047 -1.615 0.005 568 HA LEU 80 HA LEU 80 -6.283 -3.676 1.930 569 HB2 LEU 80 1HB LEU 80 -6.193 -0.725 2.552 570 HB3 LEU 80 2HB LEU 80 -5.776 -2.052 3.619 571 HG LEU 80 HG LEU 80 -4.218 -2.017 1.122 572 HD11 LEU 80 1HD1 LEU 80 -3.775 0.164 1.047 573 HD12 LEU 80 2HD1 LEU 80 -4.553 0.462 2.620 574 HD13 LEU 80 3HD1 LEU 80 -2.857 -0.073 2.553 575 HD21 LEU 80 1HD2 LEU 80 -3.807 -2.521 4.030 576 HD22 LEU 80 2HD2 LEU 80 -3.323 -3.483 2.613 577 HD23 LEU 80 3HD2 LEU 80 -2.395 -2.032 3.063 578 HA PRO 81 HA PRO 81 -10.516 -3.464 2.771 579 HB2 PRO 81 1HB PRO 81 -10.613 -4.848 5.125 580 HB3 PRO 81 2HB PRO 81 -10.533 -5.627 3.558 581 HG2 PRO 81 1HG PRO 81 -8.400 -5.310 5.580 582 HG3 PRO 81 2HG PRO 81 -8.475 -6.424 4.230 583 HD2 PRO 81 1HD PRO 81 -6.924 -4.017 4.384 584 HD3 PRO 81 2HD PRO 81 -7.089 -5.070 2.993 585 H LEU 82 H LEU 82 -11.685 -1.720 3.231 586 HA LEU 82 HA LEU 82 -11.359 -0.681 5.920 587 HB2 LEU 82 1HB LEU 82 -9.712 0.597 4.795 588 HB3 LEU 82 2HB LEU 82 -10.759 0.887 3.420 589 HG LEU 82 HG LEU 82 -10.324 2.758 5.202 590 HD11 LEU 82 1HD1 LEU 82 -13.107 2.200 4.140 591 HD12 LEU 82 2HD1 LEU 82 -12.474 3.777 4.668 592 HD13 LEU 82 3HD1 LEU 82 -11.778 2.972 3.241 593 HD21 LEU 82 1HD2 LEU 82 -11.277 0.999 6.972 594 HD22 LEU 82 2HD2 LEU 82 -11.476 2.758 7.159 595 HD23 LEU 82 3HD2 LEU 82 -12.811 1.776 6.510 596 H ALA 83 H ALA 83 -13.308 -0.106 6.776 597 HA ALA 83 HA ALA 83 -15.614 -0.505 5.110 598 HB1 ALA 83 1HB ALA 83 -16.302 0.506 7.688 599 HB2 ALA 83 2HB ALA 83 -16.409 -1.170 7.100 600 HB3 ALA 83 3HB ALA 83 -14.926 -0.602 7.904 601 H GLU 84 H GLU 84 -17.034 1.052 4.338 602 HA GLU 84 HA GLU 84 -16.032 3.549 3.840 603 HB2 GLU 84 1HB GLU 84 -17.959 2.292 2.686 604 HB3 GLU 84 2HB GLU 84 -18.998 2.873 3.972 605 HG2 GLU 84 1HG GLU 84 -17.712 5.210 3.221 606 HG3 GLU 84 2HG GLU 84 -17.799 4.362 1.690 607 H GLU 85 H GLU 85 -17.721 2.282 6.667 608 HA GLU 85 HA GLU 85 -18.483 4.844 7.621 609 HB2 GLU 85 1HB GLU 85 -19.170 3.621 9.653 610 HB3 GLU 85 2HB GLU 85 -19.759 2.815 8.212 611 HG2 GLU 85 1HG GLU 85 -18.300 1.006 8.445 612 HG3 GLU 85 2HG GLU 85 -17.067 1.959 9.247 613 H GLU 86 H GLU 86 -15.534 3.111 7.438 614 HA GLU 86 HA GLU 86 -14.505 4.510 9.774 615 HB2 GLU 86 1HB GLU 86 -13.312 2.183 8.201 616 HB3 GLU 86 2HB GLU 86 -12.578 2.924 9.609 617 HG2 GLU 86 1HG GLU 86 -15.115 2.388 10.566 618 HG3 GLU 86 2HG GLU 86 -14.898 1.061 9.442 619 H LEU 87 H LEU 87 -14.893 4.932 6.495 620 HA LEU 87 HA LEU 87 -12.444 5.566 5.465 621 HB2 LEU 87 1HB LEU 87 -15.240 6.466 4.998 622 HB3 LEU 87 2HB LEU 87 -13.957 7.416 4.275 623 HG LEU 87 HG LEU 87 -14.240 4.428 3.880 624 HD11 LEU 87 1HD1 LEU 87 -14.918 6.141 1.601 625 HD12 LEU 87 2HD1 LEU 87 -15.737 4.697 2.244 626 HD13 LEU 87 3HD1 LEU 87 -16.046 6.292 2.970 627 HD21 LEU 87 1HD2 LEU 87 -12.785 6.319 2.054 628 HD22 LEU 87 2HD2 LEU 87 -11.998 5.698 3.526 629 HD23 LEU 87 3HD2 LEU 87 -12.575 4.566 2.279 630 HA PRO 88 HA PRO 88 -12.816 9.811 7.507 631 HB2 PRO 88 1HB PRO 88 -14.765 10.280 9.365 632 HB3 PRO 88 2HB PRO 88 -14.926 10.718 7.676 633 HG2 PRO 88 1HG PRO 88 -16.183 8.478 9.137 634 HG3 PRO 88 2HG PRO 88 -16.644 9.181 7.600 635 HD2 PRO 88 1HD PRO 88 -15.250 6.707 8.007 636 HD3 PRO 88 2HD PRO 88 -15.609 7.468 6.469 637 H THR 89 H THR 89 -13.099 6.885 9.133 638 HA THR 89 HA THR 89 -11.457 7.987 11.319 639 HB THR 89 HB THR 89 -12.594 6.537 12.800 640 HG1 THR 89 1HG THR 89 -13.530 4.573 11.937 641 HG21 THR 89 1HG2 THR 89 -14.260 8.114 11.361 642 HG22 THR 89 2HG2 THR 89 -14.847 6.532 10.795 643 HG23 THR 89 3HG2 THR 89 -14.885 6.926 12.530 644 H ALA 90 H ALA 90 -10.598 7.119 8.589 645 HA ALA 90 HA ALA 90 -8.639 5.186 9.545 646 HB1 ALA 90 1HB ALA 90 -8.955 3.738 7.625 647 HB2 ALA 90 2HB ALA 90 -10.521 3.926 8.450 648 HB3 ALA 90 3HB ALA 90 -10.191 4.828 6.951 649 H THR 91 H THR 91 -6.667 5.189 8.215 650 HA THR 91 HA THR 91 -6.490 7.454 6.364 651 HB THR 91 HB THR 91 -4.587 6.913 8.704 652 HG1 THR 91 1HG THR 91 -6.734 7.812 9.246 653 HG21 THR 91 1HG2 THR 91 -3.747 8.111 6.502 654 HG22 THR 91 2HG2 THR 91 -4.804 9.443 7.030 655 HG23 THR 91 3HG2 THR 91 -3.459 8.910 8.066 656 H LEU 92 H LEU 92 -4.603 7.354 4.931 657 HA LEU 92 HA LEU 92 -3.611 4.601 4.688 658 HB2 LEU 92 1HB LEU 92 -5.390 4.994 3.069 659 HB3 LEU 92 2HB LEU 92 -4.565 6.420 2.472 660 HG LEU 92 HG LEU 92 -4.397 3.930 1.375 661 HD11 LEU 92 1HD1 LEU 92 -2.507 4.809 0.072 662 HD12 LEU 92 2HD1 LEU 92 -3.799 6.015 0.276 663 HD13 LEU 92 3HD1 LEU 92 -2.314 6.128 1.250 664 HD21 LEU 92 1HD2 LEU 92 -2.267 2.936 1.825 665 HD22 LEU 92 2HD2 LEU 92 -1.823 4.255 2.935 666 HD23 LEU 92 3HD2 LEU 92 -3.127 3.125 3.372 667 H THR 93 H THR 93 -1.504 4.703 5.272 668 HA THR 93 HA THR 93 0.015 7.054 4.360 669 HB THR 93 HB THR 93 0.348 5.116 6.705 670 HG1 THR 93 1HG THR 93 -0.077 7.992 6.284 671 HG21 THR 93 1HG2 THR 93 2.380 6.170 7.274 672 HG22 THR 93 2HG2 THR 93 2.537 6.079 5.503 673 HG23 THR 93 3HG2 THR 93 2.029 7.600 6.275 674 H LEU 94 H LEU 94 1.451 6.834 2.768 675 HA LEU 94 HA LEU 94 1.970 4.150 1.818 676 HB2 LEU 94 1HB LEU 94 2.089 6.895 0.741 677 HB3 LEU 94 2HB LEU 94 3.331 5.807 0.153 678 HG LEU 94 HG LEU 94 1.725 4.300 -0.764 679 HD11 LEU 94 1HD1 LEU 94 -0.626 4.393 -0.444 680 HD12 LEU 94 2HD1 LEU 94 0.118 4.497 1.169 681 HD13 LEU 94 3HD1 LEU 94 -0.524 5.962 0.389 682 HD21 LEU 94 1HD2 LEU 94 1.794 7.083 -1.491 683 HD22 LEU 94 2HD2 LEU 94 1.647 5.643 -2.526 684 HD23 LEU 94 3HD2 LEU 94 0.188 6.402 -1.846 685 H THR 95 H THR 95 4.074 3.231 1.595 686 HA THR 95 HA THR 95 6.289 4.660 2.806 687 HB THR 95 HB THR 95 6.326 2.108 4.057 688 HG1 THR 95 1HG THR 95 4.060 1.899 3.630 689 HG21 THR 95 1HG2 THR 95 7.061 4.152 5.217 690 HG22 THR 95 2HG2 THR 95 5.428 4.848 5.091 691 HG23 THR 95 3HG2 THR 95 5.716 3.437 6.137 692 H LEU 96 H LEU 96 8.092 4.326 1.663 693 HA LEU 96 HA LEU 96 8.049 2.026 -0.155 694 HB2 LEU 96 1HB LEU 96 8.523 4.771 -0.572 695 HB3 LEU 96 2HB LEU 96 10.081 3.983 -0.734 696 HG LEU 96 HG LEU 96 7.678 2.904 -2.192 697 HD11 LEU 96 1HD1 LEU 96 9.394 5.252 -3.028 698 HD12 LEU 96 2HD1 LEU 96 8.391 4.304 -4.153 699 HD13 LEU 96 3HD1 LEU 96 7.627 5.201 -2.819 700 HD21 LEU 96 1HD2 LEU 96 9.528 1.438 -2.266 701 HD22 LEU 96 2HD2 LEU 96 9.507 2.277 -3.836 702 HD23 LEU 96 3HD2 LEU 96 10.671 2.765 -2.581 703 H ARG 97 H ARG 97 8.984 0.330 0.911 704 HA ARG 97 HA ARG 97 11.301 0.918 2.519 705 HB2 ARG 97 1HB ARG 97 9.472 -1.482 2.184 706 HB3 ARG 97 2HB ARG 97 11.049 -1.705 2.915 707 HG2 ARG 97 1HG ARG 97 10.461 -0.608 4.848 708 HG3 ARG 97 2HG ARG 97 9.547 0.621 3.997 709 HD2 ARG 97 1HD ARG 97 7.905 -0.610 5.223 710 HD3 ARG 97 2HD ARG 97 7.749 -1.190 3.577 711 HE ARG 97 HE ARG 97 9.596 -2.936 4.664 712 HH11 ARG 97 2HH2 ARG 97 6.390 -1.879 5.658 713 HH12 ARG 97 1HH2 ARG 97 6.010 -3.364 6.464 714 HH21 ARG 97 2HH1 ARG 97 9.095 -4.896 5.727 715 HH22 ARG 97 1HH1 ARG 97 7.560 -5.092 6.503 716 H THR 98 H THR 98 13.166 -0.830 2.334 717 HA THR 98 HA THR 98 13.608 -1.381 -0.528 718 HB THR 98 HB THR 98 16.110 -1.092 0.327 719 HG1 THR 98 1HG THR 98 14.516 0.558 2.145 720 HG21 THR 98 1HG2 THR 98 15.201 1.614 0.534 721 HG22 THR 98 2HG2 THR 98 15.895 0.822 -0.901 722 HG23 THR 98 3HG2 THR 98 14.133 0.817 -0.647 723 H CYS 99 H CYS 99 14.477 -3.356 -1.131 724 HA CYS 99 HA CYS 99 14.034 -5.420 0.802 725 HB2 CYS 99 1HB CYS 99 13.472 -5.455 -1.737 726 HB3 CYS 99 2HB CYS 99 15.165 -5.851 -1.963 727 HG CYS 99 HG CYS 99 13.520 -7.369 0.417 728 H ASP 100 H ASP 100 15.617 -5.898 2.287 729 HA ASP 100 HA ASP 100 18.366 -5.581 1.369 730 HB2 ASP 100 1HB ASP 100 17.593 -5.727 4.291 731 HB3 ASP 100 2HB ASP 100 18.999 -4.970 3.570 732 H ARG 101 H ARG 101 19.925 -7.222 2.387 733 HA ARG 101 HA ARG 101 19.326 -9.727 1.889 734 HB2 ARG 101 1HB ARG 101 21.587 -9.095 2.512 735 HB3 ARG 101 2HB ARG 101 21.088 -8.626 4.125 736 HG2 ARG 101 1HG ARG 101 20.284 -11.372 3.701 737 HG3 ARG 101 2HG ARG 101 21.961 -11.215 3.216 738 HD2 ARG 101 1HD ARG 101 21.189 -9.876 5.793 739 HD3 ARG 101 2HD ARG 101 21.201 -11.628 5.800 740 HE ARG 101 HE ARG 101 23.606 -10.744 4.543 741 HH11 ARG 101 2HH2 ARG 101 22.087 -10.729 7.717 742 HH12 ARG 101 1HH2 ARG 101 23.590 -10.712 8.577 743 HH21 ARG 101 2HH1 ARG 101 25.590 -10.722 5.678 744 HH22 ARG 101 1HH1 ARG 101 25.596 -10.709 7.410 745 H PHE 102 H PHE 102 18.868 -8.125 5.117 746 HA PHE 102 HA PHE 102 17.007 -10.298 5.776 747 HB2 PHE 102 1HB PHE 102 19.359 -9.064 7.147 748 HB3 PHE 102 2HB PHE 102 17.940 -9.126 8.173 749 HD1 PHE 102 1HD PHE 102 18.856 -11.616 5.585 750 HD2 PHE 102 2HD PHE 102 18.624 -10.752 9.733 751 HE1 PHE 102 1HE PHE 102 19.342 -14.021 6.113 752 HE2 PHE 102 2HE PHE 102 19.110 -13.157 10.261 753 HZ PHE 102 HZ PHE 102 19.463 -14.763 8.445 754 H SER 103 H SER 103 17.981 -6.896 6.624 755 HA SER 103 HA SER 103 15.727 -5.655 5.982 756 HB2 SER 103 1HB SER 103 15.290 -7.282 8.420 757 HB3 SER 103 2HB SER 103 14.842 -5.599 8.616 758 HG SER 103 HG SER 103 13.937 -7.318 6.464 759 H ARG 104 H ARG 104 18.112 -4.673 5.867 760 HA ARG 104 HA ARG 104 18.714 -3.317 8.347 761 HB2 ARG 104 1HB ARG 104 20.272 -3.477 5.717 762 HB3 ARG 104 2HB ARG 104 20.845 -2.664 7.159 763 HG2 ARG 104 1HG ARG 104 20.119 -5.630 7.031 764 HG3 ARG 104 2HG ARG 104 21.752 -5.007 6.891 765 HD2 ARG 104 1HD ARG 104 20.563 -3.823 9.242 766 HD3 ARG 104 2HD ARG 104 20.246 -5.546 9.296 767 HE ARG 104 HE ARG 104 22.800 -4.287 9.696 768 HH11 ARG 104 2HH2 ARG 104 21.358 -7.126 8.197 769 HH12 ARG 104 1HH2 ARG 104 22.787 -8.092 8.354 770 HH21 ARG 104 2HH1 ARG 104 24.685 -5.562 9.903 771 HH22 ARG 104 1HH1 ARG 104 24.692 -7.196 9.330 772 H HIS 105 H HIS 105 16.403 -2.268 7.510 773 HA HIS 105 HA HIS 105 17.003 0.394 6.973 774 HB2 HIS 105 1HB HIS 105 16.999 -1.146 4.633 775 HB3 HIS 105 2HB HIS 105 15.429 -0.367 4.645 776 HD1 HIS 105 1HD HIS 105 15.490 1.748 3.339 777 HD2 HIS 105 2HD HIS 105 19.085 1.079 5.394 778 HE1 HIS 105 1HE HIS 105 17.000 3.734 2.804 779 H SER 106 H SER 106 15.215 1.702 7.473 780 HA SER 106 HA SER 106 13.009 0.207 8.551 781 HB2 SER 106 1HB SER 106 14.379 2.504 9.351 782 HB3 SER 106 2HB SER 106 12.881 3.156 8.718 783 HG SER 106 HG SER 106 13.221 1.217 10.831 784 H VAL 107 H VAL 107 13.148 3.383 6.780 785 HA VAL 107 HA VAL 107 11.311 2.344 4.795 786 HB VAL 107 HB VAL 107 10.609 4.353 6.897 787 HG11 VAL 107 1HG1 VAL 107 9.415 4.335 4.103 788 HG12 VAL 107 2HG1 VAL 107 8.850 5.305 5.485 789 HG13 VAL 107 3HG1 VAL 107 10.457 5.608 4.783 790 HG21 VAL 107 1HG2 VAL 107 9.653 2.224 7.257 791 HG22 VAL 107 2HG2 VAL 107 8.347 3.202 6.544 792 HG23 VAL 107 3HG2 VAL 107 9.231 2.027 5.539 793 H ALA 108 H ALA 108 11.550 3.376 2.810 794 HA ALA 108 HA ALA 108 13.854 5.096 2.628 795 HB1 ALA 108 1HB ALA 108 12.043 4.353 0.332 796 HB2 ALA 108 2HB ALA 108 13.809 4.572 0.353 797 HB3 ALA 108 3HB ALA 108 13.085 3.117 1.077 798 H GLY 109 H GLY 109 10.319 5.322 2.632 799 HA2 GLY 109 1HA GLY 109 10.337 8.107 3.013 800 HA3 GLY 109 2HA GLY 109 10.008 7.780 1.324 801 H GLU 110 H GLU 110 8.455 8.507 4.090 802 HA GLU 110 HA GLU 110 6.277 6.643 3.564 803 HB2 GLU 110 1HB GLU 110 6.721 6.336 5.823 804 HB3 GLU 110 2HB GLU 110 7.299 7.974 6.051 805 HG2 GLU 110 1HG GLU 110 4.951 8.827 5.845 806 HG3 GLU 110 2HG GLU 110 4.377 7.185 5.629 807 H LEU 111 H LEU 111 4.202 7.439 3.076 808 HA LEU 111 HA LEU 111 4.037 10.363 2.840 809 HB2 LEU 111 1HB LEU 111 3.959 8.415 0.799 810 HB3 LEU 111 2HB LEU 111 2.315 8.990 0.992 811 HG LEU 111 HG LEU 111 4.438 11.072 0.855 812 HD11 LEU 111 1HD1 LEU 111 5.376 10.320 -1.014 813 HD12 LEU 111 2HD1 LEU 111 4.179 9.012 -1.176 814 HD13 LEU 111 3HD1 LEU 111 3.823 10.631 -1.826 815 HD21 LEU 111 1HD2 LEU 111 2.735 12.262 -0.429 816 HD22 LEU 111 2HD2 LEU 111 1.691 10.821 -0.401 817 HD23 LEU 111 3HD2 LEU 111 2.079 11.668 1.116 818 H ARG 112 H ARG 112 1.914 11.296 3.197 819 HA ARG 112 HA ARG 112 0.257 9.489 4.769 820 HB2 ARG 112 1HB ARG 112 1.447 12.020 5.455 821 HB3 ARG 112 2HB ARG 112 -0.284 12.280 5.366 822 HG2 ARG 112 1HG ARG 112 0.968 9.975 6.926 823 HG3 ARG 112 2HG ARG 112 0.609 11.530 7.650 824 HD2 ARG 112 1HD ARG 112 -1.724 10.592 6.175 825 HD3 ARG 112 2HD ARG 112 -1.182 9.332 7.266 826 HE ARG 112 HE ARG 112 -2.465 11.789 8.030 827 HH11 ARG 112 2HH2 ARG 112 0.101 9.613 9.063 828 HH12 ARG 112 1HH2 ARG 112 -0.040 10.036 10.737 829 HH21 ARG 112 2HH1 ARG 112 -2.650 12.347 10.239 830 HH22 ARG 112 1HH1 ARG 112 -1.615 11.601 11.410 831 H LEU 113 H LEU 113 -2.057 9.636 4.483 832 HA LEU 113 HA LEU 113 -3.082 11.588 2.628 833 HB2 LEU 113 1HB LEU 113 -3.241 8.649 1.951 834 HB3 LEU 113 2HB LEU 113 -3.988 9.966 1.069 835 HG LEU 113 HG LEU 113 -0.996 9.620 1.404 836 HD11 LEU 113 1HD1 LEU 113 -1.762 7.763 0.123 837 HD12 LEU 113 2HD1 LEU 113 -2.830 8.795 -0.857 838 HD13 LEU 113 3HD1 LEU 113 -1.063 8.941 -1.013 839 HD21 LEU 113 1HD2 LEU 113 -2.311 11.918 0.829 840 HD22 LEU 113 2HD2 LEU 113 -0.681 11.519 0.237 841 HD23 LEU 113 3HD2 LEU 113 -2.097 11.246 -0.805 842 H GLY 114 H GLY 114 -5.583 11.062 2.318 843 HA2 GLY 114 1HA GLY 114 -6.611 9.980 4.870 844 HA3 GLY 114 2HA GLY 114 -7.128 11.538 4.255 845 H LEU 115 H LEU 115 -8.594 8.884 4.720 846 HA LEU 115 HA LEU 115 -9.482 8.412 1.966 847 HB2 LEU 115 1HB LEU 115 -10.042 6.705 4.386 848 HB3 LEU 115 2HB LEU 115 -10.285 6.299 2.698 849 HG LEU 115 HG LEU 115 -7.587 6.741 4.008 850 HD11 LEU 115 1HD1 LEU 115 -7.293 4.336 3.900 851 HD12 LEU 115 2HD1 LEU 115 -8.741 4.735 4.856 852 HD13 LEU 115 3HD1 LEU 115 -8.912 4.142 3.186 853 HD21 LEU 115 1HD2 LEU 115 -8.438 6.171 1.196 854 HD22 LEU 115 2HD2 LEU 115 -7.146 7.228 1.812 855 HD23 LEU 115 3HD2 LEU 115 -6.923 5.462 1.804 856 H ASP 116 H ASP 116 -10.110 10.690 4.003 857 HA ASP 116 HA ASP 116 -12.882 10.201 4.503 858 HB2 ASP 116 1HB ASP 116 -12.848 12.276 5.692 859 HB3 ASP 116 2HB ASP 116 -11.297 11.529 6.020 860 H GLY 117 H GLY 117 -10.814 11.523 2.020 861 HA2 GLY 117 1HA GLY 117 -11.517 12.093 -0.108 862 HA3 GLY 117 2HA GLY 117 -13.142 12.380 0.481 863 H THR 118 H THR 118 -10.101 13.657 1.935 864 HA THR 118 HA THR 118 -10.963 16.349 1.100 865 HB THR 118 HB THR 118 -10.063 15.239 3.787 866 HG1 THR 118 1HG THR 118 -12.359 15.590 3.015 867 HG21 THR 118 1HG2 THR 118 -10.252 18.207 3.090 868 HG22 THR 118 2HG2 THR 118 -9.682 17.477 4.610 869 HG23 THR 118 3HG2 THR 118 -8.693 17.349 3.136 870 H SER 119 H SER 119 -8.041 15.171 2.843 871 HA SER 119 HA SER 119 -6.275 16.763 1.694 872 HB2 SER 119 1HB SER 119 -6.042 13.868 2.552 873 HB3 SER 119 2HB SER 119 -4.642 14.699 1.904 874 HG SER 119 HG SER 119 -4.434 15.232 4.000 875 H VAL 120 H VAL 120 -7.007 13.420 0.433 876 HA VAL 120 HA VAL 120 -6.340 14.441 -2.239 877 HB VAL 120 HB VAL 120 -5.615 11.915 -2.519 878 HG11 VAL 120 1HG1 VAL 120 -4.120 13.682 -3.055 879 HG12 VAL 120 2HG1 VAL 120 -3.967 14.171 -1.350 880 HG13 VAL 120 3HG1 VAL 120 -3.255 12.637 -1.903 881 HG21 VAL 120 1HG2 VAL 120 -6.140 11.134 -0.307 882 HG22 VAL 120 2HG2 VAL 120 -4.368 11.158 -0.477 883 HG23 VAL 120 3HG2 VAL 120 -5.192 12.443 0.438 884 HA PRO 121 HA PRO 121 -10.291 12.863 -3.089 885 HB2 PRO 121 1HB PRO 121 -10.317 13.238 -5.796 886 HB3 PRO 121 2HB PRO 121 -10.684 14.511 -4.649 887 HG2 PRO 121 1HG PRO 121 -8.231 14.108 -6.248 888 HG3 PRO 121 2HG PRO 121 -8.788 15.559 -5.440 889 HD2 PRO 121 1HD PRO 121 -6.712 13.791 -4.552 890 HD3 PRO 121 2HD PRO 121 -7.349 15.176 -3.689 891 H LEU 122 H LEU 122 -11.484 11.253 -4.534 892 HA LEU 122 HA LEU 122 -9.705 8.943 -4.636 893 HB2 LEU 122 1HB LEU 122 -12.697 9.268 -4.514 894 HB3 LEU 122 2HB LEU 122 -11.937 7.734 -4.890 895 HG LEU 122 HG LEU 122 -11.402 9.297 -2.351 896 HD11 LEU 122 1HD1 LEU 122 -13.546 7.337 -3.043 897 HD12 LEU 122 2HD1 LEU 122 -12.814 7.259 -1.422 898 HD13 LEU 122 3HD1 LEU 122 -13.590 8.762 -1.977 899 HD21 LEU 122 1HD2 LEU 122 -10.840 6.683 -1.815 900 HD22 LEU 122 2HD2 LEU 122 -10.332 6.811 -3.516 901 HD23 LEU 122 3HD2 LEU 122 -9.641 7.908 -2.296 902 H GLY 123 H GLY 123 -9.810 7.473 -6.510 903 HA2 GLY 123 1HA GLY 123 -9.625 7.096 -8.717 904 HA3 GLY 123 2HA GLY 123 -11.094 8.034 -8.900 905 H ALA 124 H ALA 124 -8.388 9.662 -7.366 906 HA ALA 124 HA ALA 124 -7.727 10.943 -9.926 907 HB1 ALA 124 1HB ALA 124 -9.282 12.330 -8.518 908 HB2 ALA 124 2HB ALA 124 -8.044 12.339 -7.240 909 HB3 ALA 124 3HB ALA 124 -7.705 13.099 -8.813 910 H ALA 125 H ALA 125 -5.728 10.056 -10.315 911 HA ALA 125 HA ALA 125 -3.946 9.390 -8.222 912 HB1 ALA 125 1HB ALA 125 -2.855 9.827 -10.943 913 HB2 ALA 125 2HB ALA 125 -2.788 8.386 -9.901 914 HB3 ALA 125 3HB ALA 125 -4.247 8.720 -10.864 915 H GLN 126 H GLN 126 -2.458 10.624 -7.163 916 HA GLN 126 HA GLN 126 -1.917 13.234 -8.349 917 HB2 GLN 126 1HB GLN 126 -1.985 12.729 -5.354 918 HB3 GLN 126 2HB GLN 126 -1.988 14.271 -6.187 919 HG2 GLN 126 1HG GLN 126 -4.237 12.765 -7.169 920 HG3 GLN 126 2HG GLN 126 -4.248 12.634 -5.422 921 HE21 GLN 126 1HE2 GLN 126 -6.210 13.959 -6.833 922 HE22 GLN 126 2HE2 GLN 126 -6.163 15.656 -6.491 923 H TRP 127 H TRP 127 0.230 14.182 -7.693 924 HA TRP 127 HA TRP 127 2.167 12.007 -7.338 925 HB2 TRP 127 1HB TRP 127 2.174 14.568 -8.867 926 HB3 TRP 127 2HB TRP 127 3.694 13.993 -8.211 927 HD1 TRP 127 HD TRP 127 1.246 13.298 -11.026 928 HE1 TRP 127 1HE TRP 127 2.098 11.389 -12.636 929 HE3 TRP 127 3HE TRP 127 5.088 11.789 -8.058 930 HZ2 TRP 127 2HZ TRP 127 4.236 9.504 -12.491 931 HZ3 TRP 127 3HZ TRP 127 6.510 9.908 -8.866 932 HH2 TRP 127 HH TRP 127 6.135 8.776 -10.999 933 H GLY 128 H GLY 128 2.289 11.856 -5.075 934 HA2 GLY 128 1HA GLY 128 2.784 14.364 -3.604 935 HA3 GLY 128 2HA GLY 128 2.189 12.861 -2.926 936 H GLU 129 H GLU 129 4.652 14.618 -2.349 937 HA GLU 129 HA GLU 129 6.806 12.899 -3.114 938 HB2 GLU 129 1HB GLU 129 6.509 15.618 -2.258 939 HB3 GLU 129 2HB GLU 129 7.558 14.832 -1.095 940 HG2 GLU 129 1HG GLU 129 9.265 14.588 -2.605 941 HG3 GLU 129 2HG GLU 129 8.186 14.101 -3.897 942 H LEU 130 H LEU 130 8.258 11.833 -1.541 943 HA LEU 130 HA LEU 130 6.722 10.601 0.545 944 HB2 LEU 130 1HB LEU 130 9.526 10.238 -0.499 945 HB3 LEU 130 2HB LEU 130 8.915 9.365 0.892 946 HG LEU 130 HG LEU 130 7.576 9.276 -1.821 947 HD11 LEU 130 1HD1 LEU 130 8.880 6.826 -1.329 948 HD12 LEU 130 2HD1 LEU 130 9.237 8.027 -2.593 949 HD13 LEU 130 3HD1 LEU 130 10.082 8.103 -1.028 950 HD21 LEU 130 1HD2 LEU 130 6.982 6.937 -0.582 951 HD22 LEU 130 2HD2 LEU 130 7.079 8.037 0.814 952 HD23 LEU 130 3HD2 LEU 130 5.963 8.395 -0.525 953 H LYS 131 H LYS 131 6.838 10.959 2.736 954 HA LYS 131 HA LYS 131 8.395 13.299 3.507 955 HB2 LYS 131 1HB LYS 131 6.097 11.837 4.837 956 HB3 LYS 131 2HB LYS 131 6.959 13.173 5.573 957 HG2 LYS 131 1HG LYS 131 5.650 13.362 2.822 958 HG3 LYS 131 2HG LYS 131 4.817 13.793 4.303 959 HD2 LYS 131 1HD LYS 131 5.779 15.843 4.252 960 HD3 LYS 131 2HD LYS 131 7.363 15.107 4.392 961 HE2 LYS 131 1HE LYS 131 7.798 15.261 2.121 962 HE3 LYS 131 2HE LYS 131 6.128 14.981 1.668 963 HZ1 LYS 131 1HZ LYS 131 6.492 17.194 1.211 964 HZ2 LYS 131 2HZ LYS 131 5.734 17.265 2.656 965 HZ3 LYS 131 3HZ LYS 131 7.352 17.474 2.571 966 H THR 132 H THR 132 10.256 11.551 3.036 967 HA THR 132 HA THR 132 10.853 9.450 4.582 968 HB THR 132 HB THR 132 13.244 10.185 4.271 969 HG1 THR 132 1HG THR 132 13.415 12.387 3.328 970 HG21 THR 132 1HG2 THR 132 12.945 9.554 2.095 971 HG22 THR 132 2HG2 THR 132 11.235 10.045 2.151 972 HG23 THR 132 3HG2 THR 132 12.489 11.235 1.729 973 H SER 133 H SER 133 11.200 12.894 5.617 974 HA SER 133 HA SER 133 10.790 12.021 8.300 975 HB2 SER 133 1HB SER 133 12.902 13.247 9.100 976 HB3 SER 133 2HB SER 133 13.145 11.682 8.349 977 HG SER 133 HG SER 133 13.217 13.431 6.332 978 H GLY 134 H GLY 134 8.875 13.374 7.878 979 HA2 GLY 134 1HA GLY 134 9.454 16.255 7.630 980 HA3 GLY 134 2HA GLY 134 7.941 15.462 7.238 981 HA PRO 135 HA PRO 135 7.222 17.029 11.363 982 HB2 PRO 135 1HB PRO 135 4.608 17.729 10.981 983 HB3 PRO 135 2HB PRO 135 5.944 18.831 10.712 984 HG2 PRO 135 1HG PRO 135 4.281 17.414 8.721 985 HG3 PRO 135 2HG PRO 135 5.312 18.812 8.494 986 HD2 PRO 135 1HD PRO 135 5.893 16.110 7.730 987 HD3 PRO 135 2HD PRO 135 6.969 17.488 7.609 988 H SER 136 H SER 136 7.614 14.454 11.232 989 HA SER 136 HA SER 136 5.900 13.472 13.101 990 HB2 SER 136 1HB SER 136 4.800 13.278 10.394 991 HB3 SER 136 2HB SER 136 5.008 11.685 11.095 992 HG SER 136 HG SER 136 3.165 12.100 12.103 993 H SER 137 H SER 137 6.122 10.900 13.207 994 HA SER 137 HA SER 137 8.782 10.286 12.178 995 HB2 SER 137 1HB SER 137 8.470 10.566 14.727 996 HB3 SER 137 2HB SER 137 7.529 9.088 14.680 997 HG SER 137 HG SER 137 9.984 9.004 15.116 998 H GLY 138 H GLY 138 9.164 8.014 11.549 999 HA2 GLY 138 1HA GLY 138 8.188 5.787 11.373 1000 HA3 GLY 138 2HA GLY 138 6.655 6.546 10.991 Start of MODEL 11 1 H1 GLY 1 H GLY 1 24.818 14.137 26.771 2 HA2 GLY 1 1HA GLY 1 23.352 16.088 25.767 3 HA3 GLY 1 2HA GLY 1 24.546 17.041 26.625 4 H SER 2 H SER 2 24.542 17.475 23.977 5 HA SER 2 HA SER 2 25.778 17.505 22.195 6 HB2 SER 2 1HB SER 2 27.703 16.539 24.257 7 HB3 SER 2 2HB SER 2 28.187 16.241 22.600 8 HG SER 2 HG SER 2 28.891 18.341 23.482 9 H SER 3 H SER 3 25.549 16.301 20.329 10 HA SER 3 HA SER 3 26.069 13.483 20.457 11 HB2 SER 3 1HB SER 3 23.471 14.263 20.910 12 HB3 SER 3 2HB SER 3 23.455 14.106 19.164 13 HG SER 3 HG SER 3 24.737 11.937 19.963 14 H GLY 4 H GLY 4 24.357 15.927 18.358 15 HA2 GLY 4 1HA GLY 4 25.979 16.725 16.535 16 HA3 GLY 4 2HA GLY 4 26.019 15.028 16.098 17 H SER 5 H SER 5 25.168 16.343 14.039 18 HA SER 5 HA SER 5 22.429 15.655 13.869 19 HB2 SER 5 1HB SER 5 22.525 18.053 14.896 20 HB3 SER 5 2HB SER 5 23.052 18.574 13.308 21 HG SER 5 HG SER 5 20.805 16.905 13.224 22 H SER 6 H SER 6 21.607 16.302 11.513 23 HA SER 6 HA SER 6 23.736 16.713 9.659 24 HB2 SER 6 1HB SER 6 23.830 14.236 10.157 25 HB3 SER 6 2HB SER 6 22.185 14.088 9.571 26 HG SER 6 HG SER 6 22.828 14.550 7.486 27 H GLY 7 H GLY 7 22.924 17.794 7.864 28 HA2 GLY 7 1HA GLY 7 19.991 17.705 7.479 29 HA3 GLY 7 2HA GLY 7 20.918 19.191 7.420 30 H SER 8 H SER 8 19.651 19.017 5.184 31 HA SER 8 HA SER 8 21.639 18.540 3.270 32 HB2 SER 8 1HB SER 8 19.964 16.290 3.881 33 HB3 SER 8 2HB SER 8 19.480 16.878 2.303 34 HG SER 8 HG SER 8 21.367 15.256 2.527 35 H TRP 9 H TRP 9 20.449 18.717 0.912 36 HA TRP 9 HA TRP 9 17.961 20.057 0.885 37 HB2 TRP 9 1HB TRP 9 19.632 21.771 1.885 38 HB3 TRP 9 2HB TRP 9 20.250 21.895 0.250 39 HD1 TRP 9 HD TRP 9 16.953 22.534 2.203 40 HE1 TRP 9 1HE TRP 9 15.453 24.312 0.957 41 HE3 TRP 9 3HE TRP 9 19.893 22.892 -1.929 42 HZ2 TRP 9 2HZ TRP 9 15.660 25.638 -1.562 43 HZ3 TRP 9 3HZ TRP 9 19.173 24.452 -3.736 44 HH2 TRP 9 HH TRP 9 17.137 25.797 -3.600 45 H ASN 10 H ASN 10 17.152 19.512 -1.100 46 HA ASN 10 HA ASN 10 18.324 19.952 -3.470 47 HB2 ASN 10 1HB ASN 10 19.555 17.650 -2.186 48 HB3 ASN 10 2HB ASN 10 18.666 17.091 -3.589 49 HD21 ASN 10 1HD2 ASN 10 19.393 17.474 -5.588 50 HD22 ASN 10 2HD2 ASN 10 20.837 18.343 -5.987 51 H GLN 11 H GLN 11 17.412 17.917 -5.137 52 HA GLN 11 HA GLN 11 14.766 18.208 -5.230 53 HB2 GLN 11 1HB GLN 11 16.488 15.854 -6.089 54 HB3 GLN 11 2HB GLN 11 14.781 15.933 -6.474 55 HG2 GLN 11 1HG GLN 11 15.060 17.620 -8.022 56 HG3 GLN 11 2HG GLN 11 16.307 18.421 -7.087 57 HE21 GLN 11 1HE2 GLN 11 17.477 18.684 -9.025 58 HE22 GLN 11 2HE2 GLN 11 18.423 17.403 -9.706 59 H ALA 12 H ALA 12 12.995 16.422 -4.958 60 HA ALA 12 HA ALA 12 13.456 15.001 -2.429 61 HB1 ALA 12 1HB ALA 12 11.544 17.127 -3.084 62 HB2 ALA 12 2HB ALA 12 10.745 15.655 -2.482 63 HB3 ALA 12 3HB ALA 12 11.998 16.451 -1.500 64 HA PRO 13 HA PRO 13 11.782 11.626 -4.550 65 HB2 PRO 13 1HB PRO 13 10.763 10.111 -2.517 66 HB3 PRO 13 2HB PRO 13 12.468 10.152 -2.920 67 HG2 PRO 13 1HG PRO 13 11.068 11.425 -0.648 68 HG3 PRO 13 2HG PRO 13 12.779 11.096 -0.838 69 HD2 PRO 13 1HD PRO 13 11.477 13.635 -1.132 70 HD3 PRO 13 2HD PRO 13 13.167 13.282 -1.435 71 H LYS 14 H LYS 14 10.054 10.980 -5.749 72 HA LYS 14 HA LYS 14 7.530 12.130 -4.779 73 HB2 LYS 14 1HB LYS 14 8.922 12.378 -7.337 74 HB3 LYS 14 2HB LYS 14 7.281 11.795 -7.532 75 HG2 LYS 14 1HG LYS 14 6.761 13.747 -5.743 76 HG3 LYS 14 2HG LYS 14 8.246 14.414 -6.393 77 HD2 LYS 14 1HD LYS 14 6.301 13.410 -8.431 78 HD3 LYS 14 2HD LYS 14 5.766 14.803 -7.512 79 HE2 LYS 14 1HE LYS 14 8.540 15.197 -8.281 80 HE3 LYS 14 2HE LYS 14 7.618 14.747 -9.702 81 HZ1 LYS 14 1HZ LYS 14 7.706 17.189 -8.871 82 HZ2 LYS 14 2HZ LYS 14 6.343 16.591 -9.541 83 HZ3 LYS 14 3HZ LYS 14 6.466 16.720 -7.918 84 H LEU 15 H LEU 15 5.611 10.869 -5.060 85 HA LEU 15 HA LEU 15 6.014 8.142 -5.988 86 HB2 LEU 15 1HB LEU 15 6.458 7.655 -3.803 87 HB3 LEU 15 2HB LEU 15 5.466 8.958 -3.180 88 HG LEU 15 HG LEU 15 3.437 7.711 -3.604 89 HD11 LEU 15 1HD1 LEU 15 3.240 5.772 -4.804 90 HD12 LEU 15 2HD1 LEU 15 4.579 6.552 -5.679 91 HD13 LEU 15 3HD1 LEU 15 4.920 5.270 -4.492 92 HD21 LEU 15 1HD2 LEU 15 4.736 7.316 -1.505 93 HD22 LEU 15 2HD2 LEU 15 3.674 5.969 -1.980 94 HD23 LEU 15 3HD2 LEU 15 5.427 5.863 -2.266 95 H HIS 16 H HIS 16 4.501 7.888 -7.534 96 HA HIS 16 HA HIS 16 2.144 9.532 -7.437 97 HB2 HIS 16 1HB HIS 16 3.525 9.040 -9.510 98 HB3 HIS 16 2HB HIS 16 2.875 7.413 -9.470 99 HD1 HIS 16 1HD HIS 16 0.897 7.116 -10.951 100 HD2 HIS 16 2HD HIS 16 1.169 11.031 -9.470 101 HE1 HIS 16 1HE HIS 16 -1.048 8.406 -11.982 102 H TYR 17 H TYR 17 0.039 8.852 -7.026 103 HA TYR 17 HA TYR 17 -0.511 6.038 -6.749 104 HB2 TYR 17 1HB TYR 17 -1.249 6.448 -4.328 105 HB3 TYR 17 2HB TYR 17 0.483 6.604 -4.542 106 HD1 TYR 17 2HD TYR 17 -2.642 8.670 -4.485 107 HD2 TYR 17 1HD TYR 17 1.576 8.527 -3.782 108 HE1 TYR 17 2HE TYR 17 -2.722 11.006 -3.485 109 HE2 TYR 17 1HE TYR 17 1.482 10.864 -2.785 110 HH TYR 17 HH TYR 17 -0.286 12.260 -1.641 111 H CYS 18 H CYS 18 -2.729 5.582 -6.907 112 HA CYS 18 HA CYS 18 -4.419 7.961 -7.186 113 HB2 CYS 18 1HB CYS 18 -4.065 7.094 -9.395 114 HB3 CYS 18 2HB CYS 18 -4.379 5.448 -8.879 115 HG CYS 18 HG CYS 18 -6.305 7.865 -9.703 116 H LEU 19 H LEU 19 -5.585 7.952 -5.269 117 HA LEU 19 HA LEU 19 -6.238 5.491 -3.975 118 HB2 LEU 19 1HB LEU 19 -7.217 8.285 -3.380 119 HB3 LEU 19 2HB LEU 19 -7.279 6.894 -2.315 120 HG LEU 19 HG LEU 19 -4.984 8.660 -3.020 121 HD11 LEU 19 1HD1 LEU 19 -5.059 7.290 -0.425 122 HD12 LEU 19 2HD1 LEU 19 -4.897 9.020 -0.814 123 HD13 LEU 19 3HD1 LEU 19 -6.508 8.263 -0.774 124 HD21 LEU 19 1HD2 LEU 19 -4.761 5.691 -2.645 125 HD22 LEU 19 2HD2 LEU 19 -3.895 6.767 -3.767 126 HD23 LEU 19 3HD2 LEU 19 -3.482 6.768 -2.036 127 H ASP 20 H ASP 20 -8.197 4.400 -3.906 128 HA ASP 20 HA ASP 20 -10.486 5.599 -5.092 129 HB2 ASP 20 1HB ASP 20 -9.529 4.820 -7.157 130 HB3 ASP 20 2HB ASP 20 -8.996 3.315 -6.435 131 H TYR 21 H TYR 21 -11.985 4.981 -3.525 132 HA TYR 21 HA TYR 21 -11.623 2.372 -2.250 133 HB2 TYR 21 1HB TYR 21 -11.819 4.582 -0.956 134 HB3 TYR 21 2HB TYR 21 -13.396 4.829 -1.678 135 HD1 TYR 21 2HD TYR 21 -11.486 2.522 0.547 136 HD2 TYR 21 1HD TYR 21 -15.337 3.921 -0.683 137 HE1 TYR 21 2HE TYR 21 -12.569 1.245 2.460 138 HE2 TYR 21 1HE TYR 21 -16.407 2.639 1.234 139 HH TYR 21 HH TYR 21 -15.512 0.365 2.599 140 H ASP 22 H ASP 22 -12.744 0.710 -3.139 141 HA ASP 22 HA ASP 22 -15.114 1.333 -4.633 142 HB2 ASP 22 1HB ASP 22 -13.171 -0.454 -5.104 143 HB3 ASP 22 2HB ASP 22 -14.155 -1.480 -4.080 144 H CYS 23 H CYS 23 -16.568 1.945 -2.856 145 HA CYS 23 HA CYS 23 -16.931 0.776 -0.486 146 HB2 CYS 23 1HB CYS 23 -19.080 1.715 -0.416 147 HB3 CYS 23 2HB CYS 23 -18.201 2.738 -1.535 148 HG CYS 23 HG CYS 23 -20.085 2.624 -3.014 149 H GLN 24 H GLN 24 -17.884 -0.453 -3.713 150 HA GLN 24 HA GLN 24 -19.597 -2.438 -2.919 151 HB2 GLN 24 1HB GLN 24 -17.632 -2.709 -5.225 152 HB3 GLN 24 2HB GLN 24 -19.238 -3.401 -5.100 153 HG2 GLN 24 1HG GLN 24 -19.552 -0.580 -4.730 154 HG3 GLN 24 2HG GLN 24 -18.456 -0.777 -6.083 155 HE21 GLN 24 1HE2 GLN 24 -19.638 -0.416 -7.817 156 HE22 GLN 24 2HE2 GLN 24 -21.113 -1.213 -8.250 157 H LYS 25 H LYS 25 -15.996 -2.492 -3.299 158 HA LYS 25 HA LYS 25 -15.941 -5.194 -2.239 159 HB2 LYS 25 1HB LYS 25 -13.502 -3.590 -2.952 160 HB3 LYS 25 2HB LYS 25 -13.756 -5.322 -3.029 161 HG2 LYS 25 1HG LYS 25 -15.632 -4.677 -4.809 162 HG3 LYS 25 2HG LYS 25 -14.729 -3.180 -4.933 163 HD2 LYS 25 1HD LYS 25 -12.995 -4.173 -6.048 164 HD3 LYS 25 2HD LYS 25 -12.981 -5.565 -4.984 165 HE2 LYS 25 1HE LYS 25 -14.576 -6.738 -6.260 166 HE3 LYS 25 2HE LYS 25 -15.279 -5.277 -6.925 167 HZ1 LYS 25 1HZ LYS 25 -13.196 -4.973 -8.162 168 HZ2 LYS 25 2HZ LYS 25 -12.666 -6.420 -7.622 169 HZ3 LYS 25 3HZ LYS 25 -13.987 -6.340 -8.579 170 H ALA 26 H ALA 26 -15.729 -1.882 -1.193 171 HA ALA 26 HA ALA 26 -15.343 -0.959 0.779 172 HB1 ALA 26 1HB ALA 26 -16.502 -3.503 1.321 173 HB2 ALA 26 2HB ALA 26 -15.212 -3.254 2.522 174 HB3 ALA 26 3HB ALA 26 -16.513 -2.052 2.352 175 H GLU 27 H GLU 27 -13.123 -1.680 -0.929 176 HA GLU 27 HA GLU 27 -11.113 -1.908 1.157 177 HB2 GLU 27 1HB GLU 27 -11.181 -3.430 -1.478 178 HB3 GLU 27 2HB GLU 27 -9.707 -3.226 -0.552 179 HG2 GLU 27 1HG GLU 27 -11.726 -4.084 1.297 180 HG3 GLU 27 2HG GLU 27 -11.875 -5.107 -0.117 181 H LEU 28 H LEU 28 -9.402 -0.451 0.954 182 HA LEU 28 HA LEU 28 -9.765 1.607 -1.006 183 HB2 LEU 28 1HB LEU 28 -9.132 1.903 1.427 184 HB3 LEU 28 2HB LEU 28 -7.539 1.305 1.006 185 HG LEU 28 HG LEU 28 -7.829 3.823 1.141 186 HD11 LEU 28 1HD1 LEU 28 -6.685 3.941 -1.350 187 HD12 LEU 28 2HD1 LEU 28 -5.843 3.512 0.159 188 HD13 LEU 28 3HD1 LEU 28 -6.461 2.231 -0.912 189 HD21 LEU 28 1HD2 LEU 28 -10.013 3.920 -0.014 190 HD22 LEU 28 2HD2 LEU 28 -8.794 4.993 -0.742 191 HD23 LEU 28 3HD2 LEU 28 -9.209 3.453 -1.532 192 H PHE 29 H PHE 29 -8.374 2.156 -2.724 193 HA PHE 29 HA PHE 29 -6.357 0.114 -3.332 194 HB2 PHE 29 1HB PHE 29 -8.424 1.556 -5.096 195 HB3 PHE 29 2HB PHE 29 -7.100 0.627 -5.772 196 HD1 PHE 29 2HD PHE 29 -10.135 0.362 -3.668 197 HD2 PHE 29 1HD PHE 29 -7.248 -1.719 -5.980 198 HE1 PHE 29 2HE PHE 29 -11.528 -1.722 -3.532 199 HE2 PHE 29 1HE PHE 29 -8.641 -3.802 -5.844 200 HZ PHE 29 HZ PHE 29 -10.764 -3.779 -4.622 201 H VAL 30 H VAL 30 -4.403 0.858 -4.204 202 HA VAL 30 HA VAL 30 -4.233 3.765 -4.582 203 HB VAL 30 HB VAL 30 -2.174 1.999 -3.246 204 HG11 VAL 30 1HG1 VAL 30 -0.757 3.730 -3.329 205 HG12 VAL 30 2HG1 VAL 30 -1.866 4.458 -4.515 206 HG13 VAL 30 3HG1 VAL 30 -2.006 4.878 -2.790 207 HG21 VAL 30 1HG2 VAL 30 -3.393 4.084 -1.597 208 HG22 VAL 30 2HG2 VAL 30 -4.569 2.862 -2.136 209 HG23 VAL 30 3HG2 VAL 30 -3.112 2.363 -1.244 210 H THR 31 H THR 31 -4.686 3.027 -6.868 211 HA THR 31 HA THR 31 -2.613 1.488 -8.142 212 HB THR 31 HB THR 31 -4.046 2.046 -10.176 213 HG1 THR 31 1HG THR 31 -5.981 3.299 -9.601 214 HG21 THR 31 1HG2 THR 31 -6.115 0.903 -9.407 215 HG22 THR 31 2HG2 THR 31 -4.684 0.074 -8.747 216 HG23 THR 31 3HG2 THR 31 -5.639 1.162 -7.711 217 H ARG 32 H ARG 32 -2.083 2.682 -10.514 218 HA ARG 32 HA ARG 32 -0.662 4.032 -11.426 219 HB2 ARG 32 1HB ARG 32 -1.944 6.154 -9.628 220 HB3 ARG 32 2HB ARG 32 -0.972 6.500 -11.045 221 HG2 ARG 32 1HG ARG 32 -3.353 4.659 -11.339 222 HG3 ARG 32 2HG ARG 32 -3.639 6.382 -11.202 223 HD2 ARG 32 1HD ARG 32 -1.714 6.516 -13.071 224 HD3 ARG 32 2HD ARG 32 -2.206 4.864 -13.387 225 HE ARG 32 HE ARG 32 -3.733 7.271 -13.986 226 HH11 ARG 32 2HH2 ARG 32 -4.022 3.849 -13.221 227 HH12 ARG 32 1HH2 ARG 32 -5.567 3.678 -13.986 228 HH21 ARG 32 2HH1 ARG 32 -5.771 7.046 -14.994 229 HH22 ARG 32 1HH1 ARG 32 -6.568 5.508 -15.001 230 H LEU 33 H LEU 33 0.749 2.609 -9.718 231 HA LEU 33 HA LEU 33 2.037 4.320 -7.765 232 HB2 LEU 33 1HB LEU 33 2.007 1.394 -8.382 233 HB3 LEU 33 2HB LEU 33 3.356 2.062 -7.484 234 HG LEU 33 HG LEU 33 0.438 2.217 -6.680 235 HD11 LEU 33 1HD1 LEU 33 0.818 0.102 -6.038 236 HD12 LEU 33 2HD1 LEU 33 2.587 0.275 -6.147 237 HD13 LEU 33 3HD1 LEU 33 1.724 0.849 -4.700 238 HD21 LEU 33 1HD2 LEU 33 2.932 3.362 -5.429 239 HD22 LEU 33 2HD2 LEU 33 1.398 4.174 -5.822 240 HD23 LEU 33 3HD2 LEU 33 1.470 3.013 -4.475 241 H GLU 34 H GLU 34 3.712 5.599 -8.311 242 HA GLU 34 HA GLU 34 5.719 4.523 -10.037 243 HB2 GLU 34 1HB GLU 34 4.295 7.100 -10.835 244 HB3 GLU 34 2HB GLU 34 5.664 6.381 -11.660 245 HG2 GLU 34 1HG GLU 34 4.252 4.301 -12.056 246 HG3 GLU 34 2HG GLU 34 2.883 5.152 -11.367 247 H ALA 35 H ALA 35 7.375 4.798 -8.574 248 HA ALA 35 HA ALA 35 7.454 7.181 -6.953 249 HB1 ALA 35 1HB ALA 35 9.185 4.694 -7.195 250 HB2 ALA 35 2HB ALA 35 9.554 6.035 -6.084 251 HB3 ALA 35 3HB ALA 35 8.045 5.110 -5.893 252 H VAL 36 H VAL 36 8.883 8.907 -7.171 253 HA VAL 36 HA VAL 36 10.603 8.796 -9.552 254 HB VAL 36 HB VAL 36 8.677 10.872 -8.582 255 HG11 VAL 36 1HG1 VAL 36 10.363 12.396 -8.692 256 HG12 VAL 36 2HG1 VAL 36 11.366 11.378 -9.754 257 HG13 VAL 36 3HG1 VAL 36 10.006 12.305 -10.434 258 HG21 VAL 36 1HG2 VAL 36 8.887 10.892 -11.373 259 HG22 VAL 36 2HG2 VAL 36 9.034 9.177 -10.918 260 HG23 VAL 36 3HG2 VAL 36 7.615 10.118 -10.398 261 H THR 37 H THR 37 12.210 7.943 -7.960 262 HA THR 37 HA THR 37 13.114 9.921 -6.015 263 HB THR 37 HB THR 37 14.494 8.017 -5.211 264 HG1 THR 37 1HG THR 37 14.798 7.226 -7.485 265 HG21 THR 37 1HG2 THR 37 12.410 7.607 -4.223 266 HG22 THR 37 2HG2 THR 37 11.564 7.581 -5.789 267 HG23 THR 37 3HG2 THR 37 12.519 6.171 -5.270 268 H SER 38 H SER 38 14.080 11.593 -7.106 269 HA SER 38 HA SER 38 15.517 11.443 -9.370 270 HB2 SER 38 1HB SER 38 15.758 13.239 -6.940 271 HB3 SER 38 2HB SER 38 16.839 13.456 -8.302 272 HG SER 38 HG SER 38 15.074 13.895 -9.667 273 H ASN 39 H ASN 39 17.180 11.829 -6.157 274 HA ASN 39 HA ASN 39 19.410 10.384 -7.280 275 HB2 ASN 39 1HB ASN 39 19.309 12.636 -5.712 276 HB3 ASN 39 2HB ASN 39 19.489 11.425 -4.459 277 HD21 ASN 39 1HD2 ASN 39 20.970 13.164 -7.004 278 HD22 ASN 39 2HD2 ASN 39 22.568 12.503 -6.902 279 H HIS 40 H HIS 40 19.995 8.300 -6.532 280 HA HIS 40 HA HIS 40 19.450 7.284 -4.043 281 HB2 HIS 40 1HB HIS 40 17.080 7.414 -5.549 282 HB3 HIS 40 2HB HIS 40 17.570 5.733 -5.621 283 HD1 HIS 40 1HD HIS 40 15.320 5.402 -4.125 284 HD2 HIS 40 2HD HIS 40 18.554 7.311 -2.256 285 HE1 HIS 40 1HE HIS 40 14.858 5.301 -1.618 286 H ASP 41 H ASP 41 20.944 5.690 -3.827 287 HA ASP 41 HA ASP 41 21.433 4.039 -6.158 288 HB2 ASP 41 1HB ASP 41 23.379 5.818 -4.721 289 HB3 ASP 41 2HB ASP 41 23.967 4.228 -5.166 290 H GLY 42 H GLY 42 21.806 1.850 -5.553 291 HA2 GLY 42 1HA GLY 42 22.988 0.791 -3.385 292 HA3 GLY 42 2HA GLY 42 21.403 1.201 -2.758 293 H GLY 43 H GLY 43 22.050 -1.452 -2.750 294 HA2 GLY 43 1HA GLY 43 20.996 -2.661 -5.199 295 HA3 GLY 43 2HA GLY 43 21.775 -3.477 -3.858 296 H CYS 44 H CYS 44 19.799 -4.944 -4.203 297 HA CYS 44 HA CYS 44 17.959 -5.775 -3.333 298 HB2 CYS 44 1HB CYS 44 18.593 -3.679 -1.381 299 HB3 CYS 44 2HB CYS 44 16.876 -4.021 -1.470 300 HG CYS 44 HG CYS 44 19.041 -6.483 -1.574 301 H ASP 45 H ASP 45 15.791 -5.743 -4.063 302 HA ASP 45 HA ASP 45 15.187 -3.744 -5.927 303 HB2 ASP 45 1HB ASP 45 13.529 -5.976 -4.672 304 HB3 ASP 45 2HB ASP 45 12.906 -4.942 -5.943 305 H CYS 46 H CYS 46 12.920 -2.571 -5.824 306 HA CYS 46 HA CYS 46 12.455 -1.707 -3.061 307 HB2 CYS 46 1HB CYS 46 12.060 0.526 -3.807 308 HB3 CYS 46 2HB CYS 46 13.588 0.015 -4.495 309 HG CYS 46 HG CYS 46 12.960 0.779 -6.653 310 H TYR 47 H TYR 47 10.140 -0.913 -2.724 311 HA TYR 47 HA TYR 47 8.187 -1.650 -4.673 312 HB2 TYR 47 1HB TYR 47 7.187 -3.395 -3.078 313 HB3 TYR 47 2HB TYR 47 8.736 -3.882 -3.735 314 HD1 TYR 47 1HD TYR 47 6.956 -2.774 -0.716 315 HD2 TYR 47 2HD TYR 47 10.729 -3.995 -2.320 316 HE1 TYR 47 1HE TYR 47 7.858 -3.106 1.638 317 HE2 TYR 47 2HE TYR 47 11.618 -4.323 0.039 318 HH TYR 47 HH TYR 47 9.506 -3.814 2.848 319 H VAL 48 H VAL 48 6.038 -0.953 -4.067 320 HA VAL 48 HA VAL 48 6.150 1.102 -2.014 321 HB VAL 48 HB VAL 48 3.943 0.479 -3.978 322 HG11 VAL 48 1HG1 VAL 48 2.884 2.253 -3.129 323 HG12 VAL 48 2HG1 VAL 48 4.088 2.263 -1.818 324 HG13 VAL 48 3HG1 VAL 48 4.341 3.266 -3.267 325 HG21 VAL 48 1HG2 VAL 48 5.553 2.753 -4.736 326 HG22 VAL 48 2HG2 VAL 48 6.571 1.298 -4.608 327 HG23 VAL 48 3HG2 VAL 48 5.144 1.295 -5.671 328 H GLN 49 H GLN 49 4.684 1.202 -0.245 329 HA GLN 49 HA GLN 49 3.114 -1.212 0.142 330 HB2 GLN 49 1HB GLN 49 5.289 -1.443 1.370 331 HB3 GLN 49 2HB GLN 49 4.930 0.024 2.260 332 HG2 GLN 49 1HG GLN 49 2.600 -1.459 2.626 333 HG3 GLN 49 2HG GLN 49 3.827 -2.709 2.607 334 HE21 GLN 49 1HE2 GLN 49 3.013 -2.895 4.850 335 HE22 GLN 49 2HE2 GLN 49 3.776 -1.963 6.095 336 H GLY 50 H GLY 50 1.067 -0.822 0.964 337 HA2 GLY 50 1HA GLY 50 0.534 1.948 1.861 338 HA3 GLY 50 2HA GLY 50 -0.564 1.005 0.873 339 H SER 51 H SER 51 0.038 2.026 4.004 340 HA SER 51 HA SER 51 -1.261 -0.344 5.100 341 HB2 SER 51 1HB SER 51 0.113 1.688 6.853 342 HB3 SER 51 2HB SER 51 -0.127 -0.025 7.130 343 HG SER 51 HG SER 51 1.378 0.207 4.893 344 H VAL 52 H VAL 52 -3.218 -0.075 6.230 345 HA VAL 52 HA VAL 52 -4.174 2.697 6.427 346 HB VAL 52 HB VAL 52 -5.260 0.380 5.033 347 HG11 VAL 52 1HG1 VAL 52 -7.121 1.886 6.904 348 HG12 VAL 52 2HG1 VAL 52 -7.601 0.691 5.676 349 HG13 VAL 52 3HG1 VAL 52 -6.625 0.185 7.076 350 HG21 VAL 52 1HG2 VAL 52 -4.808 2.680 4.107 351 HG22 VAL 52 2HG2 VAL 52 -6.440 2.047 3.781 352 HG23 VAL 52 3HG2 VAL 52 -6.196 3.265 5.056 353 H ALA 53 H ALA 53 -5.297 3.253 8.321 354 HA ALA 53 HA ALA 53 -5.331 1.136 10.363 355 HB1 ALA 53 1HB ALA 53 -3.539 2.646 10.895 356 HB2 ALA 53 2HB ALA 53 -4.555 4.069 10.561 357 HB3 ALA 53 3HB ALA 53 -4.892 3.047 11.979 358 H ASN 54 H ASN 54 -7.496 0.552 10.227 359 HA ASN 54 HA ASN 54 -9.512 2.415 9.768 360 HB2 ASN 54 1HB ASN 54 -10.231 -0.038 11.320 361 HB3 ASN 54 2HB ASN 54 -10.909 0.559 9.818 362 HD21 ASN 54 1HD2 ASN 54 -9.179 0.620 7.977 363 HD22 ASN 54 2HD2 ASN 54 -8.304 -0.855 7.728 364 H ARG 55 H ARG 55 -11.427 2.640 11.485 365 HA ARG 55 HA ARG 55 -10.824 4.192 13.459 366 HB2 ARG 55 1HB ARG 55 -13.131 3.170 12.786 367 HB3 ARG 55 2HB ARG 55 -12.809 1.937 13.988 368 HG2 ARG 55 1HG ARG 55 -12.682 3.596 15.774 369 HG3 ARG 55 2HG ARG 55 -12.712 4.919 14.625 370 HD2 ARG 55 1HD ARG 55 -15.017 4.385 13.968 371 HD3 ARG 55 2HD ARG 55 -14.996 2.911 14.916 372 HE ARG 55 HE ARG 55 -15.500 5.575 15.915 373 HH11 ARG 55 2HH2 ARG 55 -14.012 2.515 16.810 374 HH12 ARG 55 1HH2 ARG 55 -14.231 2.759 18.510 375 HH21 ARG 55 2HH1 ARG 55 -15.790 5.898 18.158 376 HH22 ARG 55 1HH1 ARG 55 -15.250 4.697 19.283 377 H THR 56 H THR 56 -10.934 0.574 13.846 378 HA THR 56 HA THR 56 -8.958 0.842 15.994 379 HB THR 56 HB THR 56 -10.373 -0.959 17.214 380 HG1 THR 56 1HG THR 56 -12.012 -1.559 15.839 381 HG21 THR 56 1HG2 THR 56 -11.142 1.933 16.839 382 HG22 THR 56 2HG2 THR 56 -12.327 0.870 17.635 383 HG23 THR 56 3HG2 THR 56 -10.701 1.070 18.331 384 H GLY 57 H GLY 57 -9.201 -0.024 13.001 385 HA2 GLY 57 1HA GLY 57 -7.916 -2.658 13.415 386 HA3 GLY 57 2HA GLY 57 -8.989 -2.314 12.073 387 H SER 58 H SER 58 -6.586 -3.200 11.292 388 HA SER 58 HA SER 58 -5.490 -0.873 10.050 389 HB2 SER 58 1HB SER 58 -3.105 -1.584 10.704 390 HB3 SER 58 2HB SER 58 -4.053 -0.784 11.942 391 HG SER 58 HG SER 58 -4.595 -2.928 12.797 392 H VAL 59 H VAL 59 -4.264 -1.427 8.114 393 HA VAL 59 HA VAL 59 -4.043 -4.263 7.513 394 HB VAL 59 HB VAL 59 -5.080 -3.573 5.199 395 HG11 VAL 59 1HG1 VAL 59 -6.334 -5.256 5.987 396 HG12 VAL 59 2HG1 VAL 59 -6.184 -4.693 7.669 397 HG13 VAL 59 3HG1 VAL 59 -7.431 -3.999 6.606 398 HG21 VAL 59 1HG2 VAL 59 -6.804 -1.833 6.951 399 HG22 VAL 59 2HG2 VAL 59 -5.362 -1.159 6.155 400 HG23 VAL 59 3HG2 VAL 59 -6.667 -1.873 5.177 401 H GLU 60 H GLU 60 -2.737 -4.596 5.466 402 HA GLU 60 HA GLU 60 -1.204 -2.281 4.712 403 HB2 GLU 60 1HB GLU 60 -0.049 -4.672 6.172 404 HB3 GLU 60 2HB GLU 60 0.942 -3.772 5.041 405 HG2 GLU 60 1HG GLU 60 0.649 -1.705 6.297 406 HG3 GLU 60 2HG GLU 60 -0.591 -2.422 7.307 407 H ALA 61 H ALA 61 0.163 -2.722 2.748 408 HA ALA 61 HA ALA 61 -0.172 -5.216 1.409 409 HB1 ALA 61 1HB ALA 61 -1.834 -2.808 0.622 410 HB2 ALA 61 2HB ALA 61 -1.376 -4.053 -0.565 411 HB3 ALA 61 3HB ALA 61 -2.355 -4.494 0.855 412 H GLN 62 H GLN 62 0.946 -5.142 -0.769 413 HA GLN 62 HA GLN 62 2.521 -2.825 -1.266 414 HB2 GLN 62 1HB GLN 62 4.707 -4.210 -1.138 415 HB3 GLN 62 2HB GLN 62 4.024 -3.633 0.369 416 HG2 GLN 62 1HG GLN 62 4.232 -5.819 1.028 417 HG3 GLN 62 2HG GLN 62 2.722 -6.036 0.164 418 HE21 GLN 62 1HE2 GLN 62 6.143 -6.545 0.189 419 HE22 GLN 62 2HE2 GLN 62 6.264 -7.595 -1.184 420 H THR 63 H THR 63 4.011 -3.242 -3.249 421 HA THR 63 HA THR 63 2.575 -5.082 -5.034 422 HB THR 63 HB THR 63 3.538 -3.549 -6.809 423 HG1 THR 63 1HG THR 63 5.376 -2.876 -5.466 424 HG21 THR 63 1HG2 THR 63 1.381 -2.990 -5.160 425 HG22 THR 63 2HG2 THR 63 2.413 -1.566 -4.885 426 HG23 THR 63 3HG2 THR 63 1.875 -1.970 -6.533 427 H ALA 64 H ALA 64 4.186 -5.691 -7.001 428 HA ALA 64 HA ALA 64 6.015 -7.483 -5.793 429 HB1 ALA 64 1HB ALA 64 4.609 -7.450 -8.101 430 HB2 ALA 64 2HB ALA 64 6.176 -6.865 -8.710 431 HB3 ALA 64 3HB ALA 64 6.074 -8.435 -7.877 432 H LEU 65 H LEU 65 8.291 -7.454 -5.754 433 HA LEU 65 HA LEU 65 9.449 -4.904 -5.539 434 HB2 LEU 65 1HB LEU 65 10.483 -7.722 -5.515 435 HB3 LEU 65 2HB LEU 65 11.593 -6.366 -5.502 436 HG LEU 65 HG LEU 65 9.776 -5.737 -3.487 437 HD11 LEU 65 1HD1 LEU 65 9.039 -8.204 -3.830 438 HD12 LEU 65 2HD1 LEU 65 10.555 -8.596 -2.983 439 HD13 LEU 65 3HD1 LEU 65 9.321 -7.595 -2.181 440 HD21 LEU 65 1HD2 LEU 65 12.141 -5.291 -3.384 441 HD22 LEU 65 2HD2 LEU 65 11.669 -6.262 -1.969 442 HD23 LEU 65 3HD2 LEU 65 12.511 -7.031 -3.336 443 H LYS 66 H LYS 66 10.692 -3.681 -6.939 444 HA LYS 66 HA LYS 66 11.100 -4.837 -9.604 445 HB2 LYS 66 1HB LYS 66 9.899 -2.158 -8.887 446 HB3 LYS 66 2HB LYS 66 10.626 -2.462 -10.452 447 HG2 LYS 66 1HG LYS 66 8.907 -4.694 -9.876 448 HG3 LYS 66 2HG LYS 66 8.003 -3.240 -9.500 449 HD2 LYS 66 1HD LYS 66 8.836 -2.345 -11.810 450 HD3 LYS 66 2HD LYS 66 9.293 -4.003 -12.148 451 HE2 LYS 66 1HE LYS 66 6.973 -4.767 -11.807 452 HE3 LYS 66 2HE LYS 66 6.482 -3.165 -11.293 453 HZ1 LYS 66 1HZ LYS 66 7.507 -2.570 -13.615 454 HZ2 LYS 66 2HZ LYS 66 7.093 -4.114 -13.949 455 HZ3 LYS 66 3HZ LYS 66 5.954 -3.051 -13.459 456 H LYS 67 H LYS 67 12.763 -3.412 -10.869 457 HA LYS 67 HA LYS 67 15.077 -3.286 -9.198 458 HB2 LYS 67 1HB LYS 67 15.463 -4.176 -11.325 459 HB3 LYS 67 2HB LYS 67 14.518 -2.944 -12.135 460 HG2 LYS 67 1HG LYS 67 16.381 -1.690 -12.431 461 HG3 LYS 67 2HG LYS 67 16.596 -1.582 -10.695 462 HD2 LYS 67 1HD LYS 67 17.514 -4.006 -12.300 463 HD3 LYS 67 2HD LYS 67 18.545 -2.613 -12.038 464 HE2 LYS 67 1HE LYS 67 18.518 -2.925 -9.631 465 HE3 LYS 67 2HE LYS 67 17.217 -4.095 -9.727 466 HZ1 LYS 67 1HZ LYS 67 19.840 -4.674 -9.732 467 HZ2 LYS 67 2HZ LYS 67 18.652 -5.694 -10.194 468 HZ3 LYS 67 3HZ LYS 67 19.459 -4.820 -11.313 469 H ARG 68 H ARG 68 16.055 -1.521 -8.293 470 HA ARG 68 HA ARG 68 14.556 0.780 -8.015 471 HB2 ARG 68 1HB ARG 68 16.878 -0.322 -6.867 472 HB3 ARG 68 2HB ARG 68 17.460 1.161 -7.597 473 HG2 ARG 68 1HG ARG 68 16.273 2.508 -6.150 474 HG3 ARG 68 2HG ARG 68 14.884 1.440 -6.122 475 HD2 ARG 68 1HD ARG 68 15.673 0.227 -4.319 476 HD3 ARG 68 2HD ARG 68 17.342 0.321 -4.846 477 HE ARG 68 HE ARG 68 16.069 2.080 -2.966 478 HH11 ARG 68 2HH2 ARG 68 18.360 2.146 -5.637 479 HH12 ARG 68 1HH2 ARG 68 19.191 3.551 -5.057 480 HH21 ARG 68 2HH1 ARG 68 17.164 3.934 -2.202 481 HH22 ARG 68 1HH1 ARG 68 18.506 4.575 -3.090 482 H GLN 69 H GLN 69 14.057 2.005 -9.845 483 HA GLN 69 HA GLN 69 16.358 2.833 -11.437 484 HB2 GLN 69 1HB GLN 69 13.487 2.516 -12.418 485 HB3 GLN 69 2HB GLN 69 14.873 2.958 -13.396 486 HG2 GLN 69 1HG GLN 69 15.418 0.493 -11.916 487 HG3 GLN 69 2HG GLN 69 13.935 0.335 -12.836 488 HE21 GLN 69 1HE2 GLN 69 14.793 -1.102 -14.284 489 HE22 GLN 69 2HE2 GLN 69 15.936 -0.672 -15.512 490 H LEU 70 H LEU 70 15.697 4.991 -12.738 491 HA LEU 70 HA LEU 70 15.265 6.937 -10.754 492 HB2 LEU 70 1HB LEU 70 16.292 6.813 -13.340 493 HB3 LEU 70 2HB LEU 70 14.890 7.853 -13.485 494 HG LEU 70 HG LEU 70 17.009 9.072 -13.072 495 HD11 LEU 70 1HD1 LEU 70 14.492 9.424 -11.773 496 HD12 LEU 70 2HD1 LEU 70 15.781 9.949 -10.663 497 HD13 LEU 70 3HD1 LEU 70 15.668 10.654 -12.294 498 HD21 LEU 70 1HD2 LEU 70 18.191 8.965 -11.025 499 HD22 LEU 70 2HD2 LEU 70 16.940 7.951 -10.266 500 HD23 LEU 70 3HD2 LEU 70 17.965 7.282 -11.559 501 H HIS 71 H HIS 71 13.123 4.953 -12.611 502 HA HIS 71 HA HIS 71 10.895 6.339 -11.451 503 HB2 HIS 71 1HB HIS 71 11.374 7.538 -13.621 504 HB3 HIS 71 2HB HIS 71 11.007 6.046 -14.463 505 HD1 HIS 71 1HD HIS 71 9.000 7.358 -15.619 506 HD2 HIS 71 2HD HIS 71 8.649 6.827 -11.473 507 HE1 HIS 71 1HE HIS 71 6.567 7.862 -15.037 508 H THR 72 H THR 72 10.364 4.483 -10.304 509 HA THR 72 HA THR 72 10.103 2.001 -11.833 510 HB THR 72 HB THR 72 10.077 2.642 -8.836 511 HG1 THR 72 1HG THR 72 12.137 2.843 -9.995 512 HG21 THR 72 1HG2 THR 72 10.235 -0.043 -10.305 513 HG22 THR 72 2HG2 THR 72 10.349 0.196 -8.545 514 HG23 THR 72 3HG2 THR 72 8.818 0.524 -9.390 515 H THR 73 H THR 73 8.198 1.032 -12.311 516 HA THR 73 HA THR 73 5.787 2.194 -11.107 517 HB THR 73 HB THR 73 4.772 2.175 -13.422 518 HG1 THR 73 1HG THR 73 7.599 1.709 -14.065 519 HG21 THR 73 1HG2 THR 73 7.212 3.725 -14.029 520 HG22 THR 73 2HG2 THR 73 5.536 4.296 -13.846 521 HG23 THR 73 3HG2 THR 73 6.569 4.091 -12.411 522 H TRP 74 H TRP 74 3.931 0.788 -11.091 523 HA TRP 74 HA TRP 74 4.698 -2.028 -11.459 524 HB2 TRP 74 1HB TRP 74 3.027 -0.818 -9.249 525 HB3 TRP 74 2HB TRP 74 3.225 -2.536 -9.533 526 HD1 TRP 74 HD TRP 74 5.357 -3.656 -8.439 527 HE1 TRP 74 1HE TRP 74 7.462 -2.878 -7.051 528 HE3 TRP 74 3HE TRP 74 4.633 1.328 -9.141 529 HZ2 TRP 74 2HZ TRP 74 8.563 -0.323 -6.416 530 HZ3 TRP 74 3HZ TRP 74 6.269 2.897 -8.103 531 HH2 TRP 74 HH TRP 74 8.181 2.143 -6.780 532 H GLU 75 H GLU 75 2.531 -3.404 -11.571 533 HA GLU 75 HA GLU 75 0.885 -2.010 -13.508 534 HB2 GLU 75 1HB GLU 75 1.303 -4.964 -12.899 535 HB3 GLU 75 2HB GLU 75 0.074 -4.396 -14.011 536 HG2 GLU 75 1HG GLU 75 1.664 -3.556 -15.558 537 HG3 GLU 75 2HG GLU 75 2.931 -3.448 -14.352 538 H GLU 76 H GLU 76 0.712 -3.976 -10.485 539 HA GLU 76 HA GLU 76 -2.121 -3.431 -10.353 540 HB2 GLU 76 1HB GLU 76 -2.151 -5.045 -8.513 541 HB3 GLU 76 2HB GLU 76 -1.291 -5.730 -9.877 542 HG2 GLU 76 1HG GLU 76 0.886 -4.933 -8.790 543 HG3 GLU 76 2HG GLU 76 -0.052 -4.491 -7.378 544 H GLY 77 H GLY 77 -2.967 -2.827 -8.032 545 HA2 GLY 77 1HA GLY 77 -1.222 -0.677 -6.987 546 HA3 GLY 77 2HA GLY 77 -2.969 -0.589 -7.087 547 H LEU 78 H LEU 78 -1.928 -0.078 -4.633 548 HA LEU 78 HA LEU 78 -1.739 -2.513 -3.110 549 HB2 LEU 78 1HB LEU 78 -1.836 0.356 -2.174 550 HB3 LEU 78 2HB LEU 78 -1.364 -1.042 -1.228 551 HG LEU 78 HG LEU 78 0.123 -0.052 -3.676 552 HD11 LEU 78 1HD1 LEU 78 1.554 0.231 -1.180 553 HD12 LEU 78 2HD1 LEU 78 1.199 1.441 -2.436 554 HD13 LEU 78 3HD1 LEU 78 0.020 1.134 -1.139 555 HD21 LEU 78 1HD2 LEU 78 1.955 -1.512 -2.668 556 HD22 LEU 78 2HD2 LEU 78 0.673 -2.241 -1.672 557 HD23 LEU 78 3HD2 LEU 78 0.588 -2.345 -3.447 558 H VAL 79 H VAL 79 -3.404 -3.593 -2.193 559 HA VAL 79 HA VAL 79 -5.977 -2.179 -2.116 560 HB VAL 79 HB VAL 79 -5.471 -5.156 -2.216 561 HG11 VAL 79 1HG1 VAL 79 -7.659 -5.347 -1.839 562 HG12 VAL 79 2HG1 VAL 79 -7.801 -3.577 -1.710 563 HG13 VAL 79 3HG1 VAL 79 -7.998 -4.373 -3.290 564 HG21 VAL 79 1HG2 VAL 79 -6.449 -4.681 -4.653 565 HG22 VAL 79 2HG2 VAL 79 -5.640 -3.117 -4.395 566 HG23 VAL 79 3HG2 VAL 79 -4.704 -4.628 -4.307 567 H LEU 80 H LEU 80 -6.968 -1.881 -0.165 568 HA LEU 80 HA LEU 80 -6.033 -3.500 2.075 569 HB2 LEU 80 1HB LEU 80 -6.190 -0.487 2.179 570 HB3 LEU 80 2HB LEU 80 -5.745 -1.564 3.488 571 HG LEU 80 HG LEU 80 -4.095 -1.764 1.025 572 HD11 LEU 80 1HD1 LEU 80 -4.096 0.535 0.898 573 HD12 LEU 80 2HD1 LEU 80 -4.303 0.746 2.653 574 HD13 LEU 80 3HD1 LEU 80 -2.726 0.244 1.997 575 HD21 LEU 80 1HD2 LEU 80 -3.840 -2.971 3.322 576 HD22 LEU 80 2HD2 LEU 80 -2.399 -2.358 2.476 577 HD23 LEU 80 3HD2 LEU 80 -3.090 -1.440 3.836 578 HA PRO 81 HA PRO 81 -10.334 -3.554 2.639 579 HB2 PRO 81 1HB PRO 81 -10.419 -5.068 4.912 580 HB3 PRO 81 2HB PRO 81 -10.286 -5.757 3.307 581 HG2 PRO 81 1HG PRO 81 -8.199 -5.476 5.381 582 HG3 PRO 81 2HG PRO 81 -8.213 -6.517 3.971 583 HD2 PRO 81 1HD PRO 81 -6.751 -4.069 4.284 584 HD3 PRO 81 2HD PRO 81 -6.857 -5.048 2.835 585 H LEU 82 H LEU 82 -11.544 -1.854 3.154 586 HA LEU 82 HA LEU 82 -11.327 -0.970 5.909 587 HB2 LEU 82 1HB LEU 82 -9.678 0.410 4.919 588 HB3 LEU 82 2HB LEU 82 -10.683 0.754 3.525 589 HG LEU 82 HG LEU 82 -10.366 2.548 5.382 590 HD11 LEU 82 1HD1 LEU 82 -11.813 2.849 3.462 591 HD12 LEU 82 2HD1 LEU 82 -13.094 1.889 4.239 592 HD13 LEU 82 3HD1 LEU 82 -12.615 3.457 4.930 593 HD21 LEU 82 1HD2 LEU 82 -11.246 0.671 7.072 594 HD22 LEU 82 2HD2 LEU 82 -11.501 2.412 7.341 595 HD23 LEU 82 3HD2 LEU 82 -12.807 1.417 6.652 596 H ALA 83 H ALA 83 -13.310 -0.452 6.734 597 HA ALA 83 HA ALA 83 -15.561 -0.848 5.001 598 HB1 ALA 83 1HB ALA 83 -16.823 -0.861 7.018 599 HB2 ALA 83 2HB ALA 83 -15.273 -1.632 7.432 600 HB3 ALA 83 3HB ALA 83 -15.578 0.060 7.896 601 H GLU 84 H GLU 84 -17.298 0.718 4.683 602 HA GLU 84 HA GLU 84 -16.244 3.256 4.089 603 HB2 GLU 84 1HB GLU 84 -18.140 1.942 2.897 604 HB3 GLU 84 2HB GLU 84 -19.196 2.533 4.165 605 HG2 GLU 84 1HG GLU 84 -17.911 4.866 3.427 606 HG3 GLU 84 2HG GLU 84 -17.945 4.010 1.898 607 H GLU 85 H GLU 85 -17.607 1.822 6.934 608 HA GLU 85 HA GLU 85 -18.615 4.298 7.954 609 HB2 GLU 85 1HB GLU 85 -19.281 3.008 9.894 610 HB3 GLU 85 2HB GLU 85 -19.667 2.069 8.465 611 HG2 GLU 85 1HG GLU 85 -17.196 1.086 8.861 612 HG3 GLU 85 2HG GLU 85 -17.490 1.615 10.505 613 H GLU 86 H GLU 86 -15.552 2.961 7.528 614 HA GLU 86 HA GLU 86 -14.568 4.343 9.902 615 HB2 GLU 86 1HB GLU 86 -13.201 2.105 8.343 616 HB3 GLU 86 2HB GLU 86 -12.598 2.857 9.807 617 HG2 GLU 86 1HG GLU 86 -15.305 2.003 10.319 618 HG3 GLU 86 2HG GLU 86 -14.464 0.668 9.556 619 H LEU 87 H LEU 87 -14.952 4.545 6.554 620 HA LEU 87 HA LEU 87 -12.623 5.315 5.459 621 HB2 LEU 87 1HB LEU 87 -15.454 6.156 5.121 622 HB3 LEU 87 2HB LEU 87 -14.228 7.138 4.344 623 HG LEU 87 HG LEU 87 -14.462 4.144 3.952 624 HD11 LEU 87 1HD1 LEU 87 -15.265 5.809 1.692 625 HD12 LEU 87 2HD1 LEU 87 -16.059 4.391 2.417 626 HD13 LEU 87 3HD1 LEU 87 -16.323 6.009 3.109 627 HD21 LEU 87 1HD2 LEU 87 -12.277 5.541 3.494 628 HD22 LEU 87 2HD2 LEU 87 -12.830 4.296 2.348 629 HD23 LEU 87 3HD2 LEU 87 -13.151 6.015 2.018 630 HA PRO 88 HA PRO 88 -12.977 9.553 7.520 631 HB2 PRO 88 1HB PRO 88 -14.823 9.971 9.492 632 HB3 PRO 88 2HB PRO 88 -15.095 10.408 7.816 633 HG2 PRO 88 1HG PRO 88 -16.209 8.135 9.343 634 HG3 PRO 88 2HG PRO 88 -16.776 8.829 7.837 635 HD2 PRO 88 1HD PRO 88 -15.302 6.390 8.153 636 HD3 PRO 88 2HD PRO 88 -15.769 7.144 6.642 637 H THR 89 H THR 89 -13.375 6.696 9.375 638 HA THR 89 HA THR 89 -11.529 7.807 11.379 639 HB THR 89 HB THR 89 -12.561 6.326 12.924 640 HG1 THR 89 1HG THR 89 -12.294 4.438 11.529 641 HG21 THR 89 1HG2 THR 89 -14.768 6.972 12.860 642 HG22 THR 89 2HG2 THR 89 -14.307 7.891 11.407 643 HG23 THR 89 3HG2 THR 89 -15.009 6.263 11.245 644 H ALA 90 H ALA 90 -10.779 6.925 8.630 645 HA ALA 90 HA ALA 90 -8.750 5.035 9.513 646 HB1 ALA 90 1HB ALA 90 -10.614 3.668 8.592 647 HB2 ALA 90 2HB ALA 90 -10.507 4.580 7.067 648 HB3 ALA 90 3HB ALA 90 -9.144 3.563 7.593 649 H THR 91 H THR 91 -6.803 5.174 8.264 650 HA THR 91 HA THR 91 -6.779 7.161 6.128 651 HB THR 91 HB THR 91 -5.005 7.302 8.622 652 HG1 THR 91 1HG THR 91 -6.606 8.698 9.281 653 HG21 THR 91 1HG2 THR 91 -5.423 9.323 6.363 654 HG22 THR 91 2HG2 THR 91 -4.268 9.444 7.712 655 HG23 THR 91 3HG2 THR 91 -4.024 8.225 6.438 656 H LEU 92 H LEU 92 -4.934 7.018 4.730 657 HA LEU 92 HA LEU 92 -3.688 4.369 4.933 658 HB2 LEU 92 1HB LEU 92 -5.003 4.450 3.000 659 HB3 LEU 92 2HB LEU 92 -4.507 6.085 2.608 660 HG LEU 92 HG LEU 92 -3.537 4.445 1.077 661 HD11 LEU 92 1HD1 LEU 92 -1.071 5.235 2.458 662 HD12 LEU 92 2HD1 LEU 92 -1.671 5.653 0.836 663 HD13 LEU 92 3HD1 LEU 92 -2.246 6.557 2.257 664 HD21 LEU 92 1HD2 LEU 92 -2.972 2.441 1.856 665 HD22 LEU 92 2HD2 LEU 92 -1.502 3.196 2.519 666 HD23 LEU 92 3HD2 LEU 92 -2.951 3.023 3.538 667 H THR 93 H THR 93 -1.437 4.153 4.747 668 HA THR 93 HA THR 93 0.057 6.684 4.627 669 HB THR 93 HB THR 93 0.243 4.410 6.663 670 HG1 THR 93 1HG THR 93 -0.741 6.024 7.818 671 HG21 THR 93 1HG2 THR 93 1.984 6.664 7.208 672 HG22 THR 93 2HG2 THR 93 2.427 4.947 7.055 673 HG23 THR 93 3HG2 THR 93 2.407 5.993 5.615 674 H LEU 94 H LEU 94 1.046 6.596 2.694 675 HA LEU 94 HA LEU 94 1.877 4.078 1.619 676 HB2 LEU 94 1HB LEU 94 1.492 6.800 0.715 677 HB3 LEU 94 2HB LEU 94 3.024 6.167 0.148 678 HG LEU 94 HG LEU 94 2.021 4.465 -1.102 679 HD11 LEU 94 1HD1 LEU 94 0.022 4.509 0.975 680 HD12 LEU 94 2HD1 LEU 94 -0.751 4.524 -0.628 681 HD13 LEU 94 3HD1 LEU 94 0.404 3.236 -0.209 682 HD21 LEU 94 1HD2 LEU 94 1.371 5.928 -2.635 683 HD22 LEU 94 2HD2 LEU 94 -0.233 5.997 -1.865 684 HD23 LEU 94 3HD2 LEU 94 1.038 7.145 -1.379 685 H THR 95 H THR 95 3.970 3.249 1.431 686 HA THR 95 HA THR 95 6.166 4.820 2.494 687 HB THR 95 HB THR 95 6.283 2.232 3.766 688 HG1 THR 95 1HG THR 95 3.920 3.837 4.377 689 HG21 THR 95 1HG2 THR 95 6.040 5.122 4.602 690 HG22 THR 95 2HG2 THR 95 5.653 3.878 5.815 691 HG23 THR 95 3HG2 THR 95 7.266 3.917 5.063 692 H LEU 96 H LEU 96 8.097 4.352 1.543 693 HA LEU 96 HA LEU 96 7.983 2.165 -0.410 694 HB2 LEU 96 1HB LEU 96 8.190 4.230 -1.523 695 HB3 LEU 96 2HB LEU 96 9.394 4.821 -0.395 696 HG LEU 96 HG LEU 96 10.960 3.035 -1.261 697 HD11 LEU 96 1HD1 LEU 96 8.801 2.733 -3.365 698 HD12 LEU 96 2HD1 LEU 96 10.455 2.087 -3.491 699 HD13 LEU 96 3HD1 LEU 96 9.363 1.496 -2.216 700 HD21 LEU 96 1HD2 LEU 96 11.833 4.502 -2.739 701 HD22 LEU 96 2HD2 LEU 96 10.299 4.709 -3.617 702 HD23 LEU 96 3HD2 LEU 96 10.569 5.569 -2.082 703 H ARG 97 H ARG 97 8.745 0.389 0.693 704 HA ARG 97 HA ARG 97 11.120 0.792 2.285 705 HB2 ARG 97 1HB ARG 97 9.034 -1.394 2.058 706 HB3 ARG 97 2HB ARG 97 10.605 -1.803 2.717 707 HG2 ARG 97 1HG ARG 97 9.934 -0.980 4.718 708 HG3 ARG 97 2HG ARG 97 9.884 0.621 4.007 709 HD2 ARG 97 1HD ARG 97 7.560 0.508 3.571 710 HD3 ARG 97 2HD ARG 97 7.540 -1.244 3.562 711 HE ARG 97 HE ARG 97 7.350 0.492 5.914 712 HH11 ARG 97 2HH2 ARG 97 8.172 -2.735 4.775 713 HH12 ARG 97 1HH2 ARG 97 7.897 -3.485 6.312 714 HH21 ARG 97 2HH1 ARG 97 6.987 -0.498 7.941 715 HH22 ARG 97 1HH1 ARG 97 7.219 -2.205 8.125 716 H THR 98 H THR 98 12.970 -0.789 2.034 717 HA THR 98 HA THR 98 13.271 -1.518 -0.798 718 HB THR 98 HB THR 98 15.755 -1.428 -0.127 719 HG1 THR 98 1HG THR 98 15.254 -1.675 2.192 720 HG21 THR 98 1HG2 THR 98 15.804 0.802 -0.668 721 HG22 THR 98 2HG2 THR 98 14.029 0.700 -0.751 722 HG23 THR 98 3HG2 THR 98 14.820 1.236 0.750 723 H CYS 99 H CYS 99 14.085 -3.551 -1.415 724 HA CYS 99 HA CYS 99 13.033 -5.700 -0.222 725 HB2 CYS 99 1HB CYS 99 14.045 -5.789 -2.432 726 HB3 CYS 99 2HB CYS 99 15.647 -5.564 -1.757 727 HG CYS 99 HG CYS 99 16.023 -7.761 -0.759 728 H ASP 100 H ASP 100 13.964 -7.451 1.156 729 HA ASP 100 HA ASP 100 14.909 -6.566 3.509 730 HB2 ASP 100 1HB ASP 100 14.014 -8.874 2.958 731 HB3 ASP 100 2HB ASP 100 15.563 -9.267 2.239 732 H ARG 101 H ARG 101 16.803 -5.359 3.792 733 HA ARG 101 HA ARG 101 19.189 -6.472 2.554 734 HB2 ARG 101 1HB ARG 101 18.502 -4.372 1.388 735 HB3 ARG 101 2HB ARG 101 18.500 -3.511 2.914 736 HG2 ARG 101 1HG ARG 101 20.652 -2.968 2.334 737 HG3 ARG 101 2HG ARG 101 21.030 -4.550 2.987 738 HD2 ARG 101 1HD ARG 101 20.168 -4.394 0.098 739 HD3 ARG 101 2HD ARG 101 21.778 -3.831 0.500 740 HE ARG 101 HE ARG 101 21.161 -6.437 1.679 741 HH11 ARG 101 2HH2 ARG 101 22.342 -4.797 -1.202 742 HH12 ARG 101 1HH2 ARG 101 23.210 -6.176 -1.787 743 HH21 ARG 101 2HH1 ARG 101 22.306 -8.258 0.907 744 HH22 ARG 101 1HH1 ARG 101 23.190 -8.158 -0.579 745 H PHE 102 H PHE 102 18.036 -4.051 5.026 746 HA PHE 102 HA PHE 102 19.907 -5.280 6.912 747 HB2 PHE 102 1HB PHE 102 19.334 -2.303 6.376 748 HB3 PHE 102 2HB PHE 102 20.335 -2.878 7.694 749 HD1 PHE 102 2HD PHE 102 22.211 -4.666 6.761 750 HD2 PHE 102 1HD PHE 102 20.498 -1.444 4.595 751 HE1 PHE 102 2HE PHE 102 24.222 -4.606 5.260 752 HE2 PHE 102 1HE PHE 102 22.509 -1.384 3.094 753 HZ PHE 102 HZ PHE 102 24.347 -2.965 3.445 754 H SER 103 H SER 103 17.047 -3.136 6.367 755 HA SER 103 HA SER 103 15.154 -2.992 7.433 756 HB2 SER 103 1HB SER 103 15.381 -5.521 7.725 757 HB3 SER 103 2HB SER 103 16.053 -5.216 9.314 758 HG SER 103 HG SER 103 14.103 -4.685 10.093 759 H ARG 104 H ARG 104 17.198 -1.218 8.055 760 HA ARG 104 HA ARG 104 17.489 -1.131 10.890 761 HB2 ARG 104 1HB ARG 104 18.413 0.635 8.586 762 HB3 ARG 104 2HB ARG 104 18.616 1.159 10.246 763 HG2 ARG 104 1HG ARG 104 20.269 -0.388 10.684 764 HG3 ARG 104 2HG ARG 104 19.511 -1.635 9.713 765 HD2 ARG 104 1HD ARG 104 20.447 -0.813 7.686 766 HD3 ARG 104 2HD ARG 104 20.737 0.782 8.349 767 HE ARG 104 HE ARG 104 22.524 -1.484 8.508 768 HH11 ARG 104 2HH2 ARG 104 21.452 1.334 10.323 769 HH12 ARG 104 1HH2 ARG 104 22.925 1.473 11.224 770 HH21 ARG 104 2HH1 ARG 104 24.467 -1.301 9.697 771 HH22 ARG 104 1HH1 ARG 104 24.652 -0.036 10.865 772 H HIS 105 H HIS 105 14.786 -1.103 10.418 773 HA HIS 105 HA HIS 105 12.904 0.013 10.643 774 HB2 HIS 105 1HB HIS 105 14.735 1.740 12.321 775 HB3 HIS 105 2HB HIS 105 13.000 1.980 12.260 776 HD1 HIS 105 1HD HIS 105 11.912 0.961 14.251 777 HD2 HIS 105 2HD HIS 105 15.167 -1.321 12.911 778 HE1 HIS 105 1HE HIS 105 12.055 -1.061 15.802 779 H SER 106 H SER 106 11.847 2.414 10.475 780 HA SER 106 HA SER 106 11.441 4.158 9.242 781 HB2 SER 106 1HB SER 106 14.298 4.085 8.187 782 HB3 SER 106 2HB SER 106 13.216 5.464 8.210 783 HG SER 106 HG SER 106 13.932 5.914 10.167 784 H VAL 107 H VAL 107 11.725 4.947 6.687 785 HA VAL 107 HA VAL 107 11.727 2.539 5.030 786 HB VAL 107 HB VAL 107 9.648 3.056 4.039 787 HG11 VAL 107 1HG1 VAL 107 8.345 2.275 5.707 788 HG12 VAL 107 2HG1 VAL 107 9.855 2.262 6.649 789 HG13 VAL 107 3HG1 VAL 107 8.733 3.636 6.786 790 HG21 VAL 107 1HG2 VAL 107 8.882 5.138 3.825 791 HG22 VAL 107 2HG2 VAL 107 8.659 5.262 5.587 792 HG23 VAL 107 3HG2 VAL 107 10.214 5.721 4.852 793 H ALA 108 H ALA 108 11.671 3.222 2.611 794 HA ALA 108 HA ALA 108 13.794 5.081 2.258 795 HB1 ALA 108 1HB ALA 108 13.901 4.199 0.129 796 HB2 ALA 108 2HB ALA 108 13.020 2.883 0.942 797 HB3 ALA 108 3HB ALA 108 12.132 4.081 -0.029 798 H GLY 109 H GLY 109 10.441 5.427 2.739 799 HA2 GLY 109 1HA GLY 109 10.318 8.131 2.573 800 HA3 GLY 109 2HA GLY 109 10.004 7.623 0.925 801 H GLU 110 H GLU 110 8.332 8.746 3.373 802 HA GLU 110 HA GLU 110 6.235 6.730 3.144 803 HB2 GLU 110 1HB GLU 110 6.726 6.776 5.437 804 HB3 GLU 110 2HB GLU 110 7.109 8.486 5.434 805 HG2 GLU 110 1HG GLU 110 4.676 9.007 5.039 806 HG3 GLU 110 2HG GLU 110 4.314 7.294 5.110 807 H LEU 111 H LEU 111 4.128 7.413 2.573 808 HA LEU 111 HA LEU 111 3.870 10.277 1.993 809 HB2 LEU 111 1HB LEU 111 4.279 8.449 0.052 810 HB3 LEU 111 2HB LEU 111 2.533 8.356 0.178 811 HG LEU 111 HG LEU 111 2.887 9.924 -1.502 812 HD11 LEU 111 1HD1 LEU 111 2.758 11.940 0.695 813 HD12 LEU 111 2HD1 LEU 111 1.754 11.760 -0.764 814 HD13 LEU 111 3HD1 LEU 111 1.500 10.682 0.629 815 HD21 LEU 111 1HD2 LEU 111 5.310 10.164 -1.195 816 HD22 LEU 111 2HD2 LEU 111 4.514 11.737 -1.443 817 HD23 LEU 111 3HD2 LEU 111 5.027 11.246 0.189 818 H ARG 112 H ARG 112 2.374 11.044 3.385 819 HA ARG 112 HA ARG 112 0.455 9.255 4.466 820 HB2 ARG 112 1HB ARG 112 1.270 10.922 5.982 821 HB3 ARG 112 2HB ARG 112 1.077 12.212 4.812 822 HG2 ARG 112 1HG ARG 112 -0.733 12.472 6.368 823 HG3 ARG 112 2HG ARG 112 -1.451 11.803 4.916 824 HD2 ARG 112 1HD ARG 112 -2.070 9.877 5.978 825 HD3 ARG 112 2HD ARG 112 -0.495 9.680 6.721 826 HE ARG 112 HE ARG 112 -2.063 11.841 7.926 827 HH11 ARG 112 2HH2 ARG 112 -1.427 8.380 7.969 828 HH12 ARG 112 1HH2 ARG 112 -1.971 8.171 9.601 829 HH21 ARG 112 2HH1 ARG 112 -2.780 11.566 10.078 830 HH22 ARG 112 1HH1 ARG 112 -2.746 9.996 10.808 831 H LEU 113 H LEU 113 -1.852 9.325 4.143 832 HA LEU 113 HA LEU 113 -2.856 11.215 2.184 833 HB2 LEU 113 1HB LEU 113 -3.169 8.239 1.784 834 HB3 LEU 113 2HB LEU 113 -3.807 9.515 0.767 835 HG LEU 113 HG LEU 113 -0.845 9.064 1.202 836 HD11 LEU 113 1HD1 LEU 113 -2.668 7.430 -0.255 837 HD12 LEU 113 2HD1 LEU 113 -1.650 8.306 -1.424 838 HD13 LEU 113 3HD1 LEU 113 -0.894 7.314 -0.154 839 HD21 LEU 113 1HD2 LEU 113 -1.893 11.323 0.366 840 HD22 LEU 113 2HD2 LEU 113 -0.443 10.645 -0.413 841 HD23 LEU 113 3HD2 LEU 113 -2.040 10.442 -1.174 842 H GLY 114 H GLY 114 -5.380 10.720 1.936 843 HA2 GLY 114 1HA GLY 114 -6.423 9.897 4.572 844 HA3 GLY 114 2HA GLY 114 -6.868 11.438 3.867 845 H LEU 115 H LEU 115 -8.440 8.868 4.505 846 HA LEU 115 HA LEU 115 -9.347 8.204 1.808 847 HB2 LEU 115 1HB LEU 115 -10.268 6.863 4.325 848 HB3 LEU 115 2HB LEU 115 -10.238 6.245 2.686 849 HG LEU 115 HG LEU 115 -7.849 6.686 4.496 850 HD11 LEU 115 1HD1 LEU 115 -8.827 4.733 5.251 851 HD12 LEU 115 2HD1 LEU 115 -9.405 4.267 3.633 852 HD13 LEU 115 3HD1 LEU 115 -7.676 4.128 4.035 853 HD21 LEU 115 1HD2 LEU 115 -6.925 5.231 2.366 854 HD22 LEU 115 2HD2 LEU 115 -8.026 6.387 1.579 855 HD23 LEU 115 3HD2 LEU 115 -6.695 6.980 2.601 856 H ASP 116 H ASP 116 -10.359 9.627 4.939 857 HA ASP 116 HA ASP 116 -12.986 9.758 4.728 858 HB2 ASP 116 1HB ASP 116 -12.858 12.013 5.829 859 HB3 ASP 116 2HB ASP 116 -11.787 10.832 6.555 860 H GLY 117 H GLY 117 -10.580 11.373 2.673 861 HA2 GLY 117 1HA GLY 117 -11.122 12.027 0.473 862 HA3 GLY 117 2HA GLY 117 -12.752 12.419 0.984 863 H THR 118 H THR 118 -9.685 13.290 2.678 864 HA THR 118 HA THR 118 -10.360 16.114 2.170 865 HB THR 118 HB THR 118 -9.272 14.617 4.590 866 HG1 THR 118 1HG THR 118 -11.087 15.938 5.453 867 HG21 THR 118 1HG2 THR 118 -9.355 17.653 4.199 868 HG22 THR 118 2HG2 THR 118 -8.831 16.780 5.659 869 HG23 THR 118 3HG2 THR 118 -7.852 16.699 4.174 870 H SER 119 H SER 119 -7.376 14.610 3.490 871 HA SER 119 HA SER 119 -5.623 16.221 2.364 872 HB2 SER 119 1HB SER 119 -5.487 13.228 2.829 873 HB3 SER 119 2HB SER 119 -4.099 14.085 2.189 874 HG SER 119 HG SER 119 -3.699 14.931 4.121 875 H VAL 120 H VAL 120 -6.434 13.024 0.807 876 HA VAL 120 HA VAL 120 -6.094 14.365 -1.785 877 HB VAL 120 HB VAL 120 -5.365 11.919 -2.436 878 HG11 VAL 120 1HG1 VAL 120 -3.453 13.795 -1.006 879 HG12 VAL 120 2HG1 VAL 120 -3.048 12.597 -2.259 880 HG13 VAL 120 3HG1 VAL 120 -4.039 14.017 -2.672 881 HG21 VAL 120 1HG2 VAL 120 -4.713 12.070 0.522 882 HG22 VAL 120 2HG2 VAL 120 -5.671 10.831 -0.325 883 HG23 VAL 120 3HG2 VAL 120 -3.919 10.951 -0.611 884 HA PRO 121 HA PRO 121 -10.074 12.794 -2.465 885 HB2 PRO 121 1HB PRO 121 -10.310 13.333 -5.134 886 HB3 PRO 121 2HB PRO 121 -10.586 14.532 -3.886 887 HG2 PRO 121 1HG PRO 121 -8.265 14.238 -5.692 888 HG3 PRO 121 2HG PRO 121 -8.757 15.635 -4.756 889 HD2 PRO 121 1HD PRO 121 -6.619 13.824 -4.142 890 HD3 PRO 121 2HD PRO 121 -7.186 15.151 -3.148 891 H LEU 122 H LEU 122 -11.377 11.274 -3.919 892 HA LEU 122 HA LEU 122 -9.609 8.984 -4.307 893 HB2 LEU 122 1HB LEU 122 -12.589 9.259 -3.941 894 HB3 LEU 122 2HB LEU 122 -11.823 7.757 -4.418 895 HG LEU 122 HG LEU 122 -11.153 9.251 -1.870 896 HD11 LEU 122 1HD1 LEU 122 -12.476 6.941 -1.131 897 HD12 LEU 122 2HD1 LEU 122 -13.146 8.591 -1.118 898 HD13 LEU 122 3HD1 LEU 122 -13.423 7.529 -2.519 899 HD21 LEU 122 1HD2 LEU 122 -10.366 6.816 -1.302 900 HD22 LEU 122 2HD2 LEU 122 -10.276 6.648 -3.072 901 HD23 LEU 122 3HD2 LEU 122 -9.324 7.907 -2.248 902 H GLY 123 H GLY 123 -9.876 7.631 -6.253 903 HA2 GLY 123 1HA GLY 123 -9.879 7.396 -8.487 904 HA3 GLY 123 2HA GLY 123 -11.365 8.324 -8.482 905 H ALA 124 H ALA 124 -8.550 9.893 -7.090 906 HA ALA 124 HA ALA 124 -8.115 11.329 -9.615 907 HB1 ALA 124 1HB ALA 124 -9.580 12.545 -7.891 908 HB2 ALA 124 2HB ALA 124 -8.120 12.637 -6.876 909 HB3 ALA 124 3HB ALA 124 -8.143 13.419 -8.475 910 H ALA 125 H ALA 125 -6.142 10.492 -10.204 911 HA ALA 125 HA ALA 125 -4.200 9.690 -8.337 912 HB1 ALA 125 1HB ALA 125 -4.628 9.162 -10.915 913 HB2 ALA 125 2HB ALA 125 -3.480 10.505 -11.137 914 HB3 ALA 125 3HB ALA 125 -2.997 9.064 -10.210 915 H GLN 126 H GLN 126 -2.384 10.738 -7.503 916 HA GLN 126 HA GLN 126 -2.066 13.510 -8.314 917 HB2 GLN 126 1HB GLN 126 -2.123 12.551 -5.418 918 HB3 GLN 126 2HB GLN 126 -1.786 14.190 -5.940 919 HG2 GLN 126 1HG GLN 126 -4.336 12.946 -6.938 920 HG3 GLN 126 2HG GLN 126 -4.272 13.361 -5.236 921 HE21 GLN 126 1HE2 GLN 126 -5.446 15.128 -5.050 922 HE22 GLN 126 2HE2 GLN 126 -5.242 16.605 -5.931 923 H TRP 127 H TRP 127 0.112 14.406 -7.306 924 HA TRP 127 HA TRP 127 2.081 12.223 -7.429 925 HB2 TRP 127 1HB TRP 127 1.946 14.841 -8.824 926 HB3 TRP 127 2HB TRP 127 3.517 14.344 -8.228 927 HD1 TRP 127 HD TRP 127 1.183 13.749 -11.103 928 HE1 TRP 127 1HE TRP 127 2.058 11.894 -12.763 929 HE3 TRP 127 3HE TRP 127 4.857 12.006 -8.050 930 HZ2 TRP 127 2HZ TRP 127 4.141 9.950 -12.617 931 HZ3 TRP 127 3HZ TRP 127 6.267 10.127 -8.886 932 HH2 TRP 127 HH TRP 127 5.956 9.105 -11.084 933 H GLY 128 H GLY 128 2.116 11.964 -5.130 934 HA2 GLY 128 1HA GLY 128 2.596 14.316 -3.481 935 HA3 GLY 128 2HA GLY 128 2.324 12.670 -2.947 936 H GLU 129 H GLU 129 4.417 14.317 -1.907 937 HA GLU 129 HA GLU 129 6.757 13.100 -3.147 938 HB2 GLU 129 1HB GLU 129 6.207 15.779 -2.197 939 HB3 GLU 129 2HB GLU 129 7.527 15.111 -1.258 940 HG2 GLU 129 1HG GLU 129 8.959 15.010 -3.069 941 HG3 GLU 129 2HG GLU 129 7.683 14.590 -4.195 942 H LEU 130 H LEU 130 7.866 11.546 -2.018 943 HA LEU 130 HA LEU 130 6.840 10.493 0.328 944 HB2 LEU 130 1HB LEU 130 9.559 10.239 -0.957 945 HB3 LEU 130 2HB LEU 130 9.039 9.283 0.417 946 HG LEU 130 HG LEU 130 7.513 9.313 -2.192 947 HD11 LEU 130 1HD1 LEU 130 8.739 6.999 -2.435 948 HD12 LEU 130 2HD1 LEU 130 9.501 8.504 -3.003 949 HD13 LEU 130 3HD1 LEU 130 9.984 7.797 -1.443 950 HD21 LEU 130 1HD2 LEU 130 6.220 8.486 -0.348 951 HD22 LEU 130 2HD2 LEU 130 6.710 7.104 -1.358 952 HD23 LEU 130 3HD2 LEU 130 7.551 7.427 0.178 953 H LYS 131 H LYS 131 7.103 10.918 2.479 954 HA LYS 131 HA LYS 131 8.709 13.265 3.101 955 HB2 LYS 131 1HB LYS 131 6.512 11.789 4.566 956 HB3 LYS 131 2HB LYS 131 7.475 13.039 5.328 957 HG2 LYS 131 1HG LYS 131 5.964 13.456 2.707 958 HG3 LYS 131 2HG LYS 131 5.285 13.837 4.277 959 HD2 LYS 131 1HD LYS 131 6.266 15.878 4.095 960 HD3 LYS 131 2HD LYS 131 7.803 15.077 4.355 961 HE2 LYS 131 1HE LYS 131 8.371 15.105 2.094 962 HE3 LYS 131 2HE LYS 131 6.706 14.995 1.558 963 HZ1 LYS 131 1HZ LYS 131 6.736 17.355 2.788 964 HZ2 LYS 131 2HZ LYS 131 8.253 17.315 2.182 965 HZ3 LYS 131 3HZ LYS 131 6.970 17.155 1.184 966 H THR 132 H THR 132 10.522 11.500 2.449 967 HA THR 132 HA THR 132 11.278 9.432 3.982 968 HB THR 132 HB THR 132 13.654 10.259 3.437 969 HG1 THR 132 1HG THR 132 12.169 12.330 2.041 970 HG21 THR 132 1HG2 THR 132 11.570 10.509 1.203 971 HG22 THR 132 2HG2 THR 132 13.323 10.320 0.958 972 HG23 THR 132 3HG2 THR 132 12.380 9.001 1.691 973 H SER 133 H SER 133 10.777 9.328 6.131 974 HA SER 133 HA SER 133 12.602 10.454 7.874 975 HB2 SER 133 1HB SER 133 10.817 12.398 7.195 976 HB3 SER 133 2HB SER 133 9.940 11.665 8.523 977 HG SER 133 HG SER 133 11.925 11.933 9.833 978 H GLY 134 H GLY 134 12.565 9.226 9.772 979 HA2 GLY 134 1HA GLY 134 10.114 8.007 10.694 980 HA3 GLY 134 2HA GLY 134 11.247 6.877 9.978 981 HA PRO 135 HA PRO 135 12.464 8.024 14.338 982 HB2 PRO 135 1HB PRO 135 11.167 6.158 15.857 983 HB3 PRO 135 2HB PRO 135 10.585 7.798 15.649 984 HG2 PRO 135 1HG PRO 135 9.572 5.302 14.430 985 HG3 PRO 135 2HG PRO 135 8.772 6.854 14.580 986 HD2 PRO 135 1HD PRO 135 9.974 5.765 12.215 987 HD3 PRO 135 2HD PRO 135 9.277 7.362 12.396 988 H SER 136 H SER 136 14.031 6.966 12.545 989 HA SER 136 HA SER 136 14.657 4.386 12.614 990 HB2 SER 136 1HB SER 136 15.840 6.612 11.595 991 HB3 SER 136 2HB SER 136 16.992 6.250 12.866 992 HG SER 136 HG SER 136 17.589 5.176 10.908 993 H SER 137 H SER 137 15.970 2.959 13.902 994 HA SER 137 HA SER 137 17.320 3.858 16.170 995 HB2 SER 137 1HB SER 137 15.916 3.237 17.962 996 HB3 SER 137 2HB SER 137 14.829 4.064 16.864 997 HG SER 137 HG SER 137 14.792 1.433 17.720 998 H GLY 138 H GLY 138 18.300 1.984 17.380 999 HA2 GLY 138 1HA GLY 138 17.860 -0.688 16.769 1000 HA3 GLY 138 2HA GLY 138 19.031 -0.101 15.604 Start of MODEL 12 1 H1 GLY 1 H GLY 1 28.494 -1.674 18.746 2 HA2 GLY 1 1HA GLY 1 25.868 -0.436 18.704 3 HA3 GLY 1 2HA GLY 1 27.427 0.345 18.535 4 H SER 2 H SER 2 25.867 1.396 16.772 5 HA SER 2 HA SER 2 26.756 0.268 14.305 6 HB2 SER 2 1HB SER 2 24.377 -0.713 15.037 7 HB3 SER 2 2HB SER 2 23.793 0.824 14.431 8 HG SER 2 HG SER 2 23.776 -0.348 12.593 9 H SER 3 H SER 3 26.120 1.814 12.422 10 HA SER 3 HA SER 3 25.188 4.372 13.136 11 HB2 SER 3 1HB SER 3 27.213 5.670 12.825 12 HB3 SER 3 2HB SER 3 27.523 4.471 14.065 13 HG SER 3 HG SER 3 28.798 4.836 11.666 14 H GLY 4 H GLY 4 25.538 5.933 11.125 15 HA2 GLY 4 1HA GLY 4 26.022 4.564 8.618 16 HA3 GLY 4 2HA GLY 4 24.346 4.984 8.914 17 H SER 5 H SER 5 24.831 6.333 6.874 18 HA SER 5 HA SER 5 25.026 8.994 7.662 19 HB2 SER 5 1HB SER 5 27.510 7.723 6.532 20 HB3 SER 5 2HB SER 5 27.119 9.349 6.008 21 HG SER 5 HG SER 5 26.778 9.376 8.658 22 H SER 6 H SER 6 24.756 10.481 5.725 23 HA SER 6 HA SER 6 24.502 9.441 3.169 24 HB2 SER 6 1HB SER 6 22.349 8.648 4.734 25 HB3 SER 6 2HB SER 6 21.733 10.111 3.992 26 HG SER 6 HG SER 6 22.670 9.071 1.908 27 H GLY 7 H GLY 7 23.495 11.127 1.654 28 HA2 GLY 7 1HA GLY 7 22.723 13.668 2.583 29 HA3 GLY 7 2HA GLY 7 24.446 13.688 2.265 30 H SER 8 H SER 8 22.174 15.051 0.828 31 HA SER 8 HA SER 8 23.131 14.663 -1.743 32 HB2 SER 8 1HB SER 8 21.129 13.697 -2.843 33 HB3 SER 8 2HB SER 8 21.851 12.566 -1.716 34 HG SER 8 HG SER 8 20.157 12.773 -0.326 35 H TRP 9 H TRP 9 21.684 15.966 -3.380 36 HA TRP 9 HA TRP 9 19.691 17.670 -2.361 37 HB2 TRP 9 1HB TRP 9 20.719 19.628 -1.884 38 HB3 TRP 9 2HB TRP 9 21.937 18.511 -1.300 39 HD1 TRP 9 HD TRP 9 23.979 17.992 -3.309 40 HE1 TRP 9 1HE TRP 9 25.253 19.692 -4.874 41 HE3 TRP 9 3HE TRP 9 20.514 21.699 -2.984 42 HZ2 TRP 9 2HZ TRP 9 24.681 22.337 -5.780 43 HZ3 TRP 9 3HZ TRP 9 20.949 23.808 -4.239 44 HH2 TRP 9 HH TRP 9 22.947 24.159 -5.602 45 H ASN 10 H ASN 10 18.491 17.504 -4.221 46 HA ASN 10 HA ASN 10 19.447 18.742 -6.539 47 HB2 ASN 10 1HB ASN 10 20.489 16.292 -6.526 48 HB3 ASN 10 2HB ASN 10 18.870 15.786 -6.965 49 HD21 ASN 10 1HD2 ASN 10 21.259 15.564 -8.516 50 HD22 ASN 10 2HD2 ASN 10 21.046 16.458 -9.985 51 H GLN 11 H GLN 11 17.285 16.039 -5.385 52 HA GLN 11 HA GLN 11 15.003 17.663 -5.974 53 HB2 GLN 11 1HB GLN 11 15.899 15.776 -7.909 54 HB3 GLN 11 2HB GLN 11 14.502 15.044 -7.144 55 HG2 GLN 11 1HG GLN 11 13.040 16.708 -7.878 56 HG3 GLN 11 2HG GLN 11 14.275 17.951 -7.880 57 HE21 GLN 11 1HE2 GLN 11 14.516 18.708 -9.835 58 HE22 GLN 11 2HE2 GLN 11 14.642 17.801 -11.306 59 H ALA 12 H ALA 12 12.913 16.430 -5.270 60 HA ALA 12 HA ALA 12 13.610 14.941 -2.848 61 HB1 ALA 12 1HB ALA 12 12.035 16.212 -1.873 62 HB2 ALA 12 2HB ALA 12 11.863 17.105 -3.403 63 HB3 ALA 12 3HB ALA 12 10.824 15.698 -3.071 64 HA PRO 13 HA PRO 13 11.804 11.347 -4.434 65 HB2 PRO 13 1HB PRO 13 10.833 10.118 -2.195 66 HB3 PRO 13 2HB PRO 13 12.525 10.085 -2.648 67 HG2 PRO 13 1HG PRO 13 11.207 11.656 -0.520 68 HG3 PRO 13 2HG PRO 13 12.908 11.283 -0.715 69 HD2 PRO 13 1HD PRO 13 11.622 13.780 -1.294 70 HD3 PRO 13 2HD PRO 13 13.298 13.369 -1.597 71 H LYS 14 H LYS 14 10.105 10.900 -5.689 72 HA LYS 14 HA LYS 14 7.573 11.979 -4.659 73 HB2 LYS 14 1HB LYS 14 8.924 12.228 -7.249 74 HB3 LYS 14 2HB LYS 14 7.270 11.670 -7.400 75 HG2 LYS 14 1HG LYS 14 6.940 13.652 -5.524 76 HG3 LYS 14 2HG LYS 14 8.307 14.295 -6.413 77 HD2 LYS 14 1HD LYS 14 5.764 13.305 -7.779 78 HD3 LYS 14 2HD LYS 14 5.989 14.971 -7.286 79 HE2 LYS 14 1HE LYS 14 8.313 13.978 -8.794 80 HE3 LYS 14 2HE LYS 14 6.833 13.809 -9.717 81 HZ1 LYS 14 1HZ LYS 14 7.339 15.939 -10.171 82 HZ2 LYS 14 2HZ LYS 14 6.482 16.223 -8.810 83 HZ3 LYS 14 3HZ LYS 14 8.114 16.215 -8.760 84 H LEU 15 H LEU 15 5.685 10.689 -4.842 85 HA LEU 15 HA LEU 15 6.108 7.966 -5.798 86 HB2 LEU 15 1HB LEU 15 6.581 7.581 -3.573 87 HB3 LEU 15 2HB LEU 15 5.448 8.791 -3.001 88 HG LEU 15 HG LEU 15 3.563 7.364 -3.474 89 HD11 LEU 15 1HD1 LEU 15 3.585 5.384 -4.653 90 HD12 LEU 15 2HD1 LEU 15 4.799 6.340 -5.538 91 HD13 LEU 15 3HD1 LEU 15 5.320 5.103 -4.369 92 HD21 LEU 15 1HD2 LEU 15 5.108 7.039 -1.396 93 HD22 LEU 15 2HD2 LEU 15 3.815 5.863 -1.738 94 HD23 LEU 15 3HD2 LEU 15 5.501 5.482 -2.165 95 H HIS 16 H HIS 16 4.601 7.676 -7.344 96 HA HIS 16 HA HIS 16 2.219 9.290 -7.257 97 HB2 HIS 16 1HB HIS 16 3.676 8.753 -9.317 98 HB3 HIS 16 2HB HIS 16 2.898 7.182 -9.308 99 HD1 HIS 16 1HD HIS 16 1.447 7.395 -11.374 100 HD2 HIS 16 2HD HIS 16 0.956 10.594 -8.706 101 HE1 HIS 16 1HE HIS 16 -0.521 8.761 -12.251 102 H TYR 17 H TYR 17 0.122 8.566 -6.868 103 HA TYR 17 HA TYR 17 -0.396 5.750 -6.632 104 HB2 TYR 17 1HB TYR 17 -1.140 6.142 -4.184 105 HB3 TYR 17 2HB TYR 17 0.595 6.201 -4.421 106 HD1 TYR 17 1HD TYR 17 -2.434 8.277 -3.903 107 HD2 TYR 17 2HD TYR 17 1.842 8.210 -4.015 108 HE1 TYR 17 1HE TYR 17 -2.363 10.593 -2.858 109 HE2 TYR 17 2HE TYR 17 1.899 10.526 -2.970 110 HH TYR 17 HH TYR 17 0.714 12.065 -1.945 111 H CYS 18 H CYS 18 -2.534 5.327 -7.064 112 HA CYS 18 HA CYS 18 -4.252 7.693 -7.220 113 HB2 CYS 18 1HB CYS 18 -4.038 6.826 -9.402 114 HB3 CYS 18 2HB CYS 18 -4.148 5.162 -8.863 115 HG CYS 18 HG CYS 18 -6.581 7.084 -7.937 116 H LEU 19 H LEU 19 -5.663 7.798 -5.508 117 HA LEU 19 HA LEU 19 -6.283 5.346 -4.088 118 HB2 LEU 19 1HB LEU 19 -7.160 8.144 -3.405 119 HB3 LEU 19 2HB LEU 19 -7.091 6.743 -2.355 120 HG LEU 19 HG LEU 19 -5.238 7.874 -1.648 121 HD11 LEU 19 1HD1 LEU 19 -4.648 5.580 -2.626 122 HD12 LEU 19 2HD1 LEU 19 -3.882 6.483 -3.955 123 HD13 LEU 19 3HD1 LEU 19 -3.312 6.705 -2.284 124 HD21 LEU 19 1HD2 LEU 19 -5.600 9.612 -3.537 125 HD22 LEU 19 2HD2 LEU 19 -3.985 9.444 -2.808 126 HD23 LEU 19 3HD2 LEU 19 -4.328 8.706 -4.391 127 H ASP 20 H ASP 20 -8.301 4.377 -4.003 128 HA ASP 20 HA ASP 20 -10.534 5.743 -5.116 129 HB2 ASP 20 1HB ASP 20 -9.703 4.941 -7.215 130 HB3 ASP 20 2HB ASP 20 -9.207 3.406 -6.531 131 H TYR 21 H TYR 21 -12.027 5.203 -3.514 132 HA TYR 21 HA TYR 21 -11.793 2.582 -2.248 133 HB2 TYR 21 1HB TYR 21 -11.922 4.827 -0.991 134 HB3 TYR 21 2HB TYR 21 -13.500 5.092 -1.704 135 HD1 TYR 21 1HD TYR 21 -11.607 2.842 0.582 136 HD2 TYR 21 2HD TYR 21 -15.457 4.176 -0.723 137 HE1 TYR 21 1HE TYR 21 -12.698 1.613 2.522 138 HE2 TYR 21 2HE TYR 21 -16.535 2.943 1.222 139 HH TYR 21 HH TYR 21 -15.157 0.588 2.846 140 H ASP 22 H ASP 22 -13.140 0.934 -2.767 141 HA ASP 22 HA ASP 22 -15.419 1.620 -4.416 142 HB2 ASP 22 1HB ASP 22 -13.532 -0.306 -4.755 143 HB3 ASP 22 2HB ASP 22 -14.674 -1.229 -3.799 144 H CYS 23 H CYS 23 -16.837 2.353 -2.658 145 HA CYS 23 HA CYS 23 -17.234 1.252 -0.250 146 HB2 CYS 23 1HB CYS 23 -19.343 2.303 -0.188 147 HB3 CYS 23 2HB CYS 23 -18.382 3.279 -1.281 148 HG CYS 23 HG CYS 23 -21.082 2.636 -1.876 149 H GLN 24 H GLN 24 -18.298 0.041 -3.449 150 HA GLN 24 HA GLN 24 -20.115 -1.831 -2.584 151 HB2 GLN 24 1HB GLN 24 -18.238 -2.136 -4.966 152 HB3 GLN 24 2HB GLN 24 -19.818 -2.870 -4.772 153 HG2 GLN 24 1HG GLN 24 -20.027 0.016 -4.408 154 HG3 GLN 24 2HG GLN 24 -19.213 -0.329 -5.921 155 HE21 GLN 24 1HE2 GLN 24 -20.218 -1.714 -7.461 156 HE22 GLN 24 2HE2 GLN 24 -21.942 -1.867 -7.543 157 H LYS 25 H LYS 25 -16.534 -2.051 -3.022 158 HA LYS 25 HA LYS 25 -16.623 -4.735 -1.871 159 HB2 LYS 25 1HB LYS 25 -14.084 -3.521 -2.858 160 HB3 LYS 25 2HB LYS 25 -14.650 -5.176 -2.947 161 HG2 LYS 25 1HG LYS 25 -16.480 -4.255 -4.580 162 HG3 LYS 25 2HG LYS 25 -15.480 -2.819 -4.680 163 HD2 LYS 25 1HD LYS 25 -14.038 -3.841 -6.103 164 HD3 LYS 25 2HD LYS 25 -13.793 -5.167 -4.983 165 HE2 LYS 25 1HE LYS 25 -16.354 -5.688 -5.972 166 HE3 LYS 25 2HE LYS 25 -15.539 -5.023 -7.374 167 HZ1 LYS 25 1HZ LYS 25 -14.154 -7.025 -5.787 168 HZ2 LYS 25 2HZ LYS 25 -15.337 -7.514 -6.802 169 HZ3 LYS 25 3HZ LYS 25 -14.039 -6.712 -7.386 170 H ALA 26 H ALA 26 -16.680 -1.652 -0.754 171 HA ALA 26 HA ALA 26 -15.785 -0.550 0.981 172 HB1 ALA 26 1HB ALA 26 -16.895 -3.139 1.793 173 HB2 ALA 26 2HB ALA 26 -15.726 -2.502 2.975 174 HB3 ALA 26 3HB ALA 26 -17.136 -1.524 2.502 175 H GLU 27 H GLU 27 -13.769 -1.639 -0.839 176 HA GLU 27 HA GLU 27 -11.644 -1.947 1.130 177 HB2 GLU 27 1HB GLU 27 -12.221 -3.600 -1.319 178 HB3 GLU 27 2HB GLU 27 -10.543 -3.305 -0.911 179 HG2 GLU 27 1HG GLU 27 -12.220 -4.085 1.416 180 HG3 GLU 27 2HG GLU 27 -12.121 -5.317 0.174 181 H LEU 28 H LEU 28 -9.929 -0.539 0.868 182 HA LEU 28 HA LEU 28 -10.209 1.486 -1.117 183 HB2 LEU 28 1HB LEU 28 -9.451 1.882 1.200 184 HB3 LEU 28 2HB LEU 28 -7.994 0.966 0.872 185 HG LEU 28 HG LEU 28 -7.418 2.636 -0.916 186 HD11 LEU 28 1HD1 LEU 28 -9.921 3.937 0.132 187 HD12 LEU 28 2HD1 LEU 28 -8.606 4.907 -0.574 188 HD13 LEU 28 3HD1 LEU 28 -9.409 3.653 -1.549 189 HD21 LEU 28 1HD2 LEU 28 -6.470 4.205 0.586 190 HD22 LEU 28 2HD2 LEU 28 -7.737 3.919 1.803 191 HD23 LEU 28 3HD2 LEU 28 -6.537 2.652 1.453 192 H PHE 29 H PHE 29 -8.291 2.132 -2.536 193 HA PHE 29 HA PHE 29 -6.725 -0.166 -3.384 194 HB2 PHE 29 1HB PHE 29 -8.684 1.521 -5.045 195 HB3 PHE 29 2HB PHE 29 -7.438 0.550 -5.802 196 HD1 PHE 29 2HD PHE 29 -10.588 0.461 -3.940 197 HD2 PHE 29 1HD PHE 29 -7.602 -1.867 -5.855 198 HE1 PHE 29 2HE PHE 29 -12.113 -1.532 -3.895 199 HE2 PHE 29 1HE PHE 29 -9.127 -3.860 -5.810 200 HZ PHE 29 HZ PHE 29 -11.364 -3.669 -4.831 201 H VAL 30 H VAL 30 -4.700 0.397 -4.197 202 HA VAL 30 HA VAL 30 -4.244 3.252 -4.662 203 HB VAL 30 HB VAL 30 -2.503 1.432 -2.987 204 HG11 VAL 30 1HG1 VAL 30 -1.802 3.707 -4.460 205 HG12 VAL 30 2HG1 VAL 30 -1.987 4.288 -2.787 206 HG13 VAL 30 3HG1 VAL 30 -0.869 2.950 -3.146 207 HG21 VAL 30 1HG2 VAL 30 -3.316 2.422 -1.063 208 HG22 VAL 30 2HG2 VAL 30 -3.884 3.876 -1.918 209 HG23 VAL 30 3HG2 VAL 30 -4.789 2.350 -2.060 210 H THR 31 H THR 31 -4.413 2.636 -6.934 211 HA THR 31 HA THR 31 -2.288 0.854 -7.869 212 HB THR 31 HB THR 31 -3.629 0.688 -9.866 213 HG1 THR 31 1HG THR 31 -4.497 3.207 -8.757 214 HG21 THR 31 1HG2 THR 31 -5.409 -0.378 -8.905 215 HG22 THR 31 2HG2 THR 31 -4.883 0.278 -7.337 216 HG23 THR 31 3HG2 THR 31 -6.066 1.170 -8.323 217 H ARG 32 H ARG 32 -2.133 2.047 -10.512 218 HA ARG 32 HA ARG 32 -0.678 3.324 -11.506 219 HB2 ARG 32 1HB ARG 32 -1.966 5.535 -9.825 220 HB3 ARG 32 2HB ARG 32 -1.132 5.767 -11.349 221 HG2 ARG 32 1HG ARG 32 -3.505 3.877 -11.161 222 HG3 ARG 32 2HG ARG 32 -3.754 5.601 -11.354 223 HD2 ARG 32 1HD ARG 32 -2.180 5.491 -13.389 224 HD3 ARG 32 2HD ARG 32 -2.235 3.745 -13.244 225 HE ARG 32 HE ARG 32 -4.410 3.760 -14.115 226 HH11 ARG 32 2HH2 ARG 32 -3.565 7.009 -13.058 227 HH12 ARG 32 1HH2 ARG 32 -4.986 7.735 -13.732 228 HH21 ARG 32 2HH1 ARG 32 -6.285 4.718 -15.004 229 HH22 ARG 32 1HH1 ARG 32 -6.543 6.423 -14.846 230 H LEU 33 H LEU 33 0.869 2.103 -9.786 231 HA LEU 33 HA LEU 33 2.073 3.955 -7.920 232 HB2 LEU 33 1HB LEU 33 2.060 1.051 -8.398 233 HB3 LEU 33 2HB LEU 33 3.605 1.697 -7.881 234 HG LEU 33 HG LEU 33 2.626 1.108 -5.878 235 HD11 LEU 33 1HD1 LEU 33 3.180 3.684 -6.200 236 HD12 LEU 33 2HD1 LEU 33 1.444 3.847 -5.843 237 HD13 LEU 33 3HD1 LEU 33 2.521 3.041 -4.677 238 HD21 LEU 33 1HD2 LEU 33 0.005 2.267 -5.881 239 HD22 LEU 33 2HD2 LEU 33 0.199 1.254 -7.332 240 HD23 LEU 33 3HD2 LEU 33 0.485 0.560 -5.717 241 H GLU 34 H GLU 34 3.773 5.249 -8.375 242 HA GLU 34 HA GLU 34 5.723 4.372 -10.251 243 HB2 GLU 34 1HB GLU 34 4.071 6.857 -10.889 244 HB3 GLU 34 2HB GLU 34 5.510 6.356 -11.753 245 HG2 GLU 34 1HG GLU 34 4.343 4.145 -12.267 246 HG3 GLU 34 2HG GLU 34 2.887 4.807 -11.551 247 H ALA 35 H ALA 35 7.335 4.624 -8.705 248 HA ALA 35 HA ALA 35 7.386 6.937 -7.023 249 HB1 ALA 35 1HB ALA 35 9.229 4.571 -7.496 250 HB2 ALA 35 2HB ALA 35 9.626 5.883 -6.362 251 HB3 ALA 35 3HB ALA 35 8.176 4.886 -6.096 252 H VAL 36 H VAL 36 9.146 8.529 -6.980 253 HA VAL 36 HA VAL 36 10.664 8.732 -9.455 254 HB VAL 36 HB VAL 36 8.629 10.717 -8.459 255 HG11 VAL 36 1HG1 VAL 36 9.895 11.921 -10.624 256 HG12 VAL 36 2HG1 VAL 36 10.056 12.383 -8.912 257 HG13 VAL 36 3HG1 VAL 36 11.238 11.276 -9.651 258 HG21 VAL 36 1HG2 VAL 36 8.063 8.908 -10.165 259 HG22 VAL 36 2HG2 VAL 36 7.711 10.587 -10.641 260 HG23 VAL 36 3HG2 VAL 36 9.151 9.762 -11.285 261 H THR 37 H THR 37 12.051 7.885 -7.483 262 HA THR 37 HA THR 37 12.768 9.859 -5.547 263 HB THR 37 HB THR 37 14.448 8.115 -4.930 264 HG1 THR 37 1HG THR 37 15.041 6.789 -6.601 265 HG21 THR 37 1HG2 THR 37 11.971 6.591 -5.827 266 HG22 THR 37 2HG2 THR 37 12.957 6.339 -4.367 267 HG23 THR 37 3HG2 THR 37 11.876 7.750 -4.480 268 H SER 38 H SER 38 14.507 8.442 -8.401 269 HA SER 38 HA SER 38 16.149 9.206 -9.598 270 HB2 SER 38 1HB SER 38 16.099 11.578 -10.289 271 HB3 SER 38 2HB SER 38 14.484 10.898 -10.272 272 HG SER 38 HG SER 38 13.992 12.002 -8.372 273 H ASN 39 H ASN 39 17.527 8.385 -7.712 274 HA ASN 39 HA ASN 39 19.324 10.487 -7.001 275 HB2 ASN 39 1HB ASN 39 17.396 10.090 -5.144 276 HB3 ASN 39 2HB ASN 39 18.431 8.751 -4.689 277 HD21 ASN 39 1HD2 ASN 39 17.925 10.843 -2.990 278 HD22 ASN 39 2HD2 ASN 39 19.359 11.778 -2.722 279 H HIS 40 H HIS 40 21.276 9.394 -5.710 280 HA HIS 40 HA HIS 40 21.940 7.016 -7.145 281 HB2 HIS 40 1HB HIS 40 23.382 8.807 -5.196 282 HB3 HIS 40 2HB HIS 40 24.073 7.273 -5.688 283 HD1 HIS 40 1HD HIS 40 23.009 10.627 -7.134 284 HD2 HIS 40 2HD HIS 40 25.254 7.249 -8.205 285 HE1 HIS 40 1HE HIS 40 24.204 11.223 -9.309 286 H ASP 41 H ASP 41 22.470 4.944 -6.222 287 HA ASP 41 HA ASP 41 22.095 4.482 -3.482 288 HB2 ASP 41 1HB ASP 41 19.692 4.646 -4.794 289 HB3 ASP 41 2HB ASP 41 20.053 2.951 -5.053 290 H GLY 42 H GLY 42 21.985 1.876 -3.185 291 HA2 GLY 42 1HA GLY 42 23.876 0.764 -5.143 292 HA3 GLY 42 2HA GLY 42 23.625 0.222 -3.496 293 H GLY 43 H GLY 43 21.974 0.491 -6.707 294 HA2 GLY 43 1HA GLY 43 20.279 -0.712 -7.602 295 HA3 GLY 43 2HA GLY 43 21.235 -2.075 -7.056 296 H CYS 44 H CYS 44 20.145 -3.536 -5.824 297 HA CYS 44 HA CYS 44 18.742 -4.401 -4.375 298 HB2 CYS 44 1HB CYS 44 18.996 -1.643 -3.245 299 HB3 CYS 44 2HB CYS 44 17.696 -2.651 -2.642 300 HG CYS 44 HG CYS 44 20.216 -2.570 -1.338 301 H ASP 45 H ASP 45 16.435 -4.818 -4.220 302 HA ASP 45 HA ASP 45 14.984 -3.416 -6.273 303 HB2 ASP 45 1HB ASP 45 14.655 -5.995 -4.740 304 HB3 ASP 45 2HB ASP 45 13.219 -5.274 -5.439 305 H CYS 46 H CYS 46 13.242 -2.012 -5.800 306 HA CYS 46 HA CYS 46 12.611 -1.724 -2.955 307 HB2 CYS 46 1HB CYS 46 11.998 0.595 -3.455 308 HB3 CYS 46 2HB CYS 46 13.661 0.269 -3.897 309 HG CYS 46 HG CYS 46 13.541 0.677 -6.240 310 H TYR 47 H TYR 47 10.267 -1.090 -2.526 311 HA TYR 47 HA TYR 47 8.402 -1.732 -4.640 312 HB2 TYR 47 1HB TYR 47 7.358 -3.479 -3.050 313 HB3 TYR 47 2HB TYR 47 8.915 -3.957 -3.698 314 HD1 TYR 47 2HD TYR 47 7.173 -2.690 -0.686 315 HD2 TYR 47 1HD TYR 47 10.831 -4.245 -2.269 316 HE1 TYR 47 2HE TYR 47 8.059 -3.029 1.673 317 HE2 TYR 47 1HE TYR 47 11.704 -4.579 0.095 318 HH TYR 47 HH TYR 47 10.911 -4.844 2.284 319 H VAL 48 H VAL 48 6.144 -1.241 -4.011 320 HA VAL 48 HA VAL 48 6.138 0.947 -2.100 321 HB VAL 48 HB VAL 48 3.892 0.025 -3.888 322 HG11 VAL 48 1HG1 VAL 48 2.810 1.820 -3.123 323 HG12 VAL 48 2HG1 VAL 48 4.131 2.069 -1.956 324 HG13 VAL 48 3HG1 VAL 48 4.178 2.880 -3.539 325 HG21 VAL 48 1HG2 VAL 48 4.702 1.549 -5.613 326 HG22 VAL 48 2HG2 VAL 48 6.119 1.958 -4.617 327 HG23 VAL 48 3HG2 VAL 48 5.929 0.309 -5.259 328 H GLN 49 H GLN 49 4.640 1.074 -0.332 329 HA GLN 49 HA GLN 49 3.302 -1.424 0.282 330 HB2 GLN 49 1HB GLN 49 5.514 -1.456 1.443 331 HB3 GLN 49 2HB GLN 49 5.121 0.057 2.234 332 HG2 GLN 49 1HG GLN 49 2.891 -1.418 2.876 333 HG3 GLN 49 2HG GLN 49 4.087 -2.695 2.778 334 HE21 GLN 49 1HE2 GLN 49 2.582 -0.895 4.897 335 HE22 GLN 49 2HE2 GLN 49 3.790 -0.610 6.105 336 H GLY 50 H GLY 50 1.225 -1.076 0.985 337 HA2 GLY 50 1HA GLY 50 0.561 1.676 1.850 338 HA3 GLY 50 2HA GLY 50 -0.485 0.664 0.875 339 H SER 51 H SER 51 -0.112 1.829 3.939 340 HA SER 51 HA SER 51 -1.356 -0.559 5.058 341 HB2 SER 51 1HB SER 51 1.015 -0.053 5.903 342 HB3 SER 51 2HB SER 51 0.364 1.404 6.627 343 HG SER 51 HG SER 51 0.102 0.016 8.284 344 H VAL 52 H VAL 52 -3.167 -0.185 6.461 345 HA VAL 52 HA VAL 52 -3.997 2.622 6.665 346 HB VAL 52 HB VAL 52 -5.261 0.414 5.245 347 HG11 VAL 52 1HG1 VAL 52 -7.542 0.774 5.977 348 HG12 VAL 52 2HG1 VAL 52 -6.550 0.287 7.372 349 HG13 VAL 52 3HG1 VAL 52 -7.010 1.993 7.159 350 HG21 VAL 52 1HG2 VAL 52 -6.009 3.351 5.378 351 HG22 VAL 52 2HG2 VAL 52 -4.704 2.700 4.358 352 HG23 VAL 52 3HG2 VAL 52 -6.386 2.188 4.084 353 H ALA 53 H ALA 53 -5.307 3.109 8.537 354 HA ALA 53 HA ALA 53 -5.305 0.966 10.545 355 HB1 ALA 53 1HB ALA 53 -3.563 2.185 11.413 356 HB2 ALA 53 2HB ALA 53 -4.078 3.692 10.618 357 HB3 ALA 53 3HB ALA 53 -4.907 3.135 12.091 358 H ASN 54 H ASN 54 -7.406 0.505 10.959 359 HA ASN 54 HA ASN 54 -9.244 2.765 10.880 360 HB2 ASN 54 1HB ASN 54 -10.828 0.467 10.879 361 HB3 ASN 54 2HB ASN 54 -10.389 1.382 9.450 362 HD21 ASN 54 1HD2 ASN 54 -9.564 0.258 7.875 363 HD22 ASN 54 2HD2 ASN 54 -8.633 -1.198 7.989 364 H ARG 55 H ARG 55 -10.977 2.741 12.590 365 HA ARG 55 HA ARG 55 -10.039 2.400 15.078 366 HB2 ARG 55 1HB ARG 55 -12.680 2.789 13.825 367 HB3 ARG 55 2HB ARG 55 -12.812 1.909 15.334 368 HG2 ARG 55 1HG ARG 55 -11.559 3.680 16.523 369 HG3 ARG 55 2HG ARG 55 -11.287 4.537 15.019 370 HD2 ARG 55 1HD ARG 55 -13.915 4.537 14.805 371 HD3 ARG 55 2HD ARG 55 -13.905 4.149 16.513 372 HE ARG 55 HE ARG 55 -12.143 6.365 16.075 373 HH11 ARG 55 2HH2 ARG 55 -15.576 5.594 16.040 374 HH12 ARG 55 1HH2 ARG 55 -16.072 7.205 16.437 375 HH21 ARG 55 2HH1 ARG 55 -12.797 8.491 16.599 376 HH22 ARG 55 1HH1 ARG 55 -14.481 8.864 16.757 377 H THR 56 H THR 56 -11.196 -0.050 12.852 378 HA THR 56 HA THR 56 -11.770 -2.002 14.896 379 HB THR 56 HB THR 56 -12.217 -3.431 12.911 380 HG1 THR 56 1HG THR 56 -11.465 -2.654 10.892 381 HG21 THR 56 1HG2 THR 56 -13.238 -0.582 12.920 382 HG22 THR 56 2HG2 THR 56 -13.578 -1.597 11.498 383 HG23 THR 56 3HG2 THR 56 -14.148 -2.100 13.107 384 H GLY 57 H GLY 57 -9.037 -1.072 12.805 385 HA2 GLY 57 1HA GLY 57 -7.112 -2.214 14.438 386 HA3 GLY 57 2HA GLY 57 -7.517 -3.428 13.242 387 H SER 58 H SER 58 -5.889 -3.425 11.737 388 HA SER 58 HA SER 58 -5.559 -1.030 10.222 389 HB2 SER 58 1HB SER 58 -3.086 -0.952 10.474 390 HB3 SER 58 2HB SER 58 -3.908 -0.621 11.986 391 HG SER 58 HG SER 58 -2.006 -2.363 11.695 392 H VAL 59 H VAL 59 -4.100 -1.485 8.252 393 HA VAL 59 HA VAL 59 -3.889 -4.348 7.703 394 HB VAL 59 HB VAL 59 -4.775 -3.772 5.375 395 HG11 VAL 59 1HG1 VAL 59 -6.408 -5.055 6.193 396 HG12 VAL 59 2HG1 VAL 59 -6.134 -4.445 7.843 397 HG13 VAL 59 3HG1 VAL 59 -7.226 -3.572 6.741 398 HG21 VAL 59 1HG2 VAL 59 -4.892 -1.454 5.257 399 HG22 VAL 59 2HG2 VAL 59 -6.583 -1.899 5.588 400 HG23 VAL 59 3HG2 VAL 59 -5.547 -1.296 6.904 401 H GLU 60 H GLU 60 -2.576 -4.665 5.579 402 HA GLU 60 HA GLU 60 -0.838 -2.469 4.997 403 HB2 GLU 60 1HB GLU 60 0.063 -4.872 6.582 404 HB3 GLU 60 2HB GLU 60 1.177 -4.175 5.423 405 HG2 GLU 60 1HG GLU 60 0.880 -1.928 6.505 406 HG3 GLU 60 2HG GLU 60 -0.209 -2.645 7.677 407 H ALA 61 H ALA 61 0.349 -2.790 3.000 408 HA ALA 61 HA ALA 61 0.170 -5.309 1.659 409 HB1 ALA 61 1HB ALA 61 -1.587 -2.972 0.839 410 HB2 ALA 61 2HB ALA 61 -1.126 -4.270 -0.289 411 HB3 ALA 61 3HB ALA 61 -2.072 -4.653 1.169 412 H GLN 62 H GLN 62 1.146 -5.050 -0.641 413 HA GLN 62 HA GLN 62 2.632 -2.686 -1.080 414 HB2 GLN 62 1HB GLN 62 4.893 -3.924 -1.007 415 HB3 GLN 62 2HB GLN 62 4.192 -3.462 0.531 416 HG2 GLN 62 1HG GLN 62 4.488 -5.647 1.120 417 HG3 GLN 62 2HG GLN 62 3.055 -5.958 0.160 418 HE21 GLN 62 1HE2 GLN 62 3.452 -7.842 -0.765 419 HE22 GLN 62 2HE2 GLN 62 4.805 -8.228 -1.776 420 H THR 63 H THR 63 4.172 -3.049 -3.073 421 HA THR 63 HA THR 63 2.712 -4.797 -4.917 422 HB THR 63 HB THR 63 3.838 -3.304 -6.629 423 HG1 THR 63 1HG THR 63 5.687 -2.747 -5.305 424 HG21 THR 63 1HG2 THR 63 2.693 -1.173 -6.013 425 HG22 THR 63 2HG2 THR 63 1.621 -2.564 -5.720 426 HG23 THR 63 3HG2 THR 63 2.455 -1.781 -4.357 427 H ALA 64 H ALA 64 4.372 -5.431 -6.867 428 HA ALA 64 HA ALA 64 6.102 -7.322 -5.579 429 HB1 ALA 64 1HB ALA 64 4.790 -8.022 -7.487 430 HB2 ALA 64 2HB ALA 64 5.435 -6.694 -8.481 431 HB3 ALA 64 3HB ALA 64 6.503 -8.023 -7.970 432 H LEU 65 H LEU 65 8.328 -7.271 -5.427 433 HA LEU 65 HA LEU 65 9.687 -4.967 -5.282 434 HB2 LEU 65 1HB LEU 65 10.526 -7.767 -5.929 435 HB3 LEU 65 2HB LEU 65 11.718 -6.483 -5.948 436 HG LEU 65 HG LEU 65 11.300 -7.926 -3.793 437 HD11 LEU 65 1HD1 LEU 65 11.910 -5.878 -2.395 438 HD12 LEU 65 2HD1 LEU 65 12.975 -6.280 -3.764 439 HD13 LEU 65 3HD1 LEU 65 11.799 -4.952 -3.911 440 HD21 LEU 65 1HD2 LEU 65 8.999 -7.673 -3.427 441 HD22 LEU 65 2HD2 LEU 65 9.765 -6.610 -2.222 442 HD23 LEU 65 3HD2 LEU 65 9.053 -5.915 -3.699 443 H LYS 66 H LYS 66 11.378 -3.955 -6.675 444 HA LYS 66 HA LYS 66 10.999 -4.404 -9.517 445 HB2 LYS 66 1HB LYS 66 10.266 -1.838 -8.102 446 HB3 LYS 66 2HB LYS 66 10.736 -1.855 -9.790 447 HG2 LYS 66 1HG LYS 66 8.525 -3.633 -8.664 448 HG3 LYS 66 2HG LYS 66 8.220 -2.046 -9.341 449 HD2 LYS 66 1HD LYS 66 9.411 -2.852 -11.476 450 HD3 LYS 66 2HD LYS 66 9.397 -4.462 -10.785 451 HE2 LYS 66 1HE LYS 66 6.742 -3.247 -10.578 452 HE3 LYS 66 2HE LYS 66 7.304 -3.202 -12.237 453 HZ1 LYS 66 1HZ LYS 66 6.480 -5.419 -10.719 454 HZ2 LYS 66 2HZ LYS 66 6.744 -5.316 -12.327 455 HZ3 LYS 66 3HZ LYS 66 7.977 -5.676 -11.318 456 H LYS 67 H LYS 67 12.566 -2.647 -10.682 457 HA LYS 67 HA LYS 67 15.093 -2.924 -9.224 458 HB2 LYS 67 1HB LYS 67 15.355 -4.103 -11.194 459 HB3 LYS 67 2HB LYS 67 14.335 -3.022 -12.120 460 HG2 LYS 67 1HG LYS 67 16.071 -1.624 -12.634 461 HG3 LYS 67 2HG LYS 67 16.699 -1.649 -10.999 462 HD2 LYS 67 1HD LYS 67 18.329 -2.670 -12.539 463 HD3 LYS 67 2HD LYS 67 17.738 -3.875 -11.411 464 HE2 LYS 67 1HE LYS 67 15.932 -4.361 -13.302 465 HE3 LYS 67 2HE LYS 67 17.081 -3.555 -14.352 466 HZ1 LYS 67 1HZ LYS 67 18.753 -5.116 -13.637 467 HZ2 LYS 67 2HZ LYS 67 17.700 -5.858 -12.633 468 HZ3 LYS 67 3HZ LYS 67 17.467 -5.916 -14.249 469 H ARG 68 H ARG 68 15.707 -1.121 -8.164 470 HA ARG 68 HA ARG 68 14.616 1.256 -8.207 471 HB2 ARG 68 1HB ARG 68 16.790 0.292 -6.987 472 HB3 ARG 68 2HB ARG 68 17.647 1.181 -8.230 473 HG2 ARG 68 1HG ARG 68 15.455 2.568 -6.665 474 HG3 ARG 68 2HG ARG 68 17.030 2.358 -5.928 475 HD2 ARG 68 1HD ARG 68 16.470 3.757 -8.588 476 HD3 ARG 68 2HD ARG 68 16.903 4.545 -7.083 477 HE ARG 68 HE ARG 68 18.928 2.628 -7.628 478 HH11 ARG 68 2HH2 ARG 68 17.669 5.601 -9.027 479 HH12 ARG 68 1HH2 ARG 68 19.179 6.053 -9.746 480 HH21 ARG 68 2HH1 ARG 68 20.920 3.224 -8.575 481 HH22 ARG 68 1HH1 ARG 68 21.041 4.691 -9.487 482 H GLN 69 H GLN 69 14.298 2.932 -9.654 483 HA GLN 69 HA GLN 69 16.262 3.291 -11.736 484 HB2 GLN 69 1HB GLN 69 13.360 2.571 -12.208 485 HB3 GLN 69 2HB GLN 69 14.202 3.581 -13.366 486 HG2 GLN 69 1HG GLN 69 15.244 0.871 -12.418 487 HG3 GLN 69 2HG GLN 69 14.287 1.087 -13.870 488 HE21 GLN 69 1HE2 GLN 69 15.096 2.928 -15.321 489 HE22 GLN 69 2HE2 GLN 69 16.796 2.965 -15.653 490 H LEU 70 H LEU 70 15.512 5.376 -13.113 491 HA LEU 70 HA LEU 70 15.257 7.445 -11.180 492 HB2 LEU 70 1HB LEU 70 15.716 7.223 -14.106 493 HB3 LEU 70 2HB LEU 70 15.049 8.733 -13.520 494 HG LEU 70 HG LEU 70 17.323 7.865 -11.911 495 HD11 LEU 70 1HD1 LEU 70 18.966 8.516 -13.806 496 HD12 LEU 70 2HD1 LEU 70 18.325 6.856 -13.744 497 HD13 LEU 70 3HD1 LEU 70 17.645 8.031 -14.896 498 HD21 LEU 70 1HD2 LEU 70 16.250 10.130 -11.953 499 HD22 LEU 70 2HD2 LEU 70 18.017 10.135 -12.166 500 HD23 LEU 70 3HD2 LEU 70 16.950 10.367 -13.572 501 H HIS 71 H HIS 71 13.009 5.352 -12.553 502 HA HIS 71 HA HIS 71 10.852 6.772 -11.515 503 HB2 HIS 71 1HB HIS 71 11.153 8.275 -13.401 504 HB3 HIS 71 2HB HIS 71 11.139 6.932 -14.527 505 HD1 HIS 71 1HD HIS 71 9.078 8.114 -15.717 506 HD2 HIS 71 2HD HIS 71 8.369 6.796 -11.798 507 HE1 HIS 71 1HE HIS 71 6.546 8.142 -15.401 508 H THR 72 H THR 72 10.869 4.574 -10.595 509 HA THR 72 HA THR 72 10.392 2.356 -12.343 510 HB THR 72 HB THR 72 10.175 2.698 -9.305 511 HG1 THR 72 1HG THR 72 12.359 2.801 -9.661 512 HG21 THR 72 1HG2 THR 72 9.090 0.589 -10.148 513 HG22 THR 72 2HG2 THR 72 10.579 0.207 -11.044 514 HG23 THR 72 3HG2 THR 72 10.597 0.249 -9.265 515 H THR 73 H THR 73 8.477 1.034 -12.422 516 HA THR 73 HA THR 73 6.032 2.363 -11.536 517 HB THR 73 HB THR 73 5.087 2.063 -13.864 518 HG1 THR 73 1HG THR 73 7.936 1.591 -14.389 519 HG21 THR 73 1HG2 THR 73 7.639 3.572 -14.364 520 HG22 THR 73 2HG2 THR 73 5.958 4.056 -14.695 521 HG23 THR 73 3HG2 THR 73 6.609 4.175 -13.043 522 H TRP 74 H TRP 74 4.108 0.911 -11.716 523 HA TRP 74 HA TRP 74 4.945 -1.902 -11.582 524 HB2 TRP 74 1HB TRP 74 3.254 -0.347 -9.634 525 HB3 TRP 74 2HB TRP 74 3.137 -2.090 -9.776 526 HD1 TRP 74 HD TRP 74 5.119 -3.525 -8.675 527 HE1 TRP 74 1HE TRP 74 7.201 -3.020 -7.134 528 HE3 TRP 74 3HE TRP 74 5.009 1.521 -9.287 529 HZ2 TRP 74 2HZ TRP 74 8.538 -0.620 -6.361 530 HZ3 TRP 74 3HZ TRP 74 6.738 2.873 -8.104 531 HH2 TRP 74 HH TRP 74 8.460 1.881 -6.681 532 H GLU 75 H GLU 75 3.147 -3.410 -12.120 533 HA GLU 75 HA GLU 75 1.302 -2.086 -13.940 534 HB2 GLU 75 1HB GLU 75 2.998 -3.925 -14.701 535 HB3 GLU 75 2HB GLU 75 1.915 -5.059 -13.918 536 HG2 GLU 75 1HG GLU 75 0.024 -3.885 -15.320 537 HG3 GLU 75 2HG GLU 75 1.339 -3.239 -16.281 538 H GLU 76 H GLU 76 1.101 -2.495 -10.894 539 HA GLU 76 HA GLU 76 -1.581 -3.544 -11.011 540 HB2 GLU 76 1HB GLU 76 -1.282 -5.067 -9.136 541 HB3 GLU 76 2HB GLU 76 -0.126 -5.485 -10.384 542 HG2 GLU 76 1HG GLU 76 1.554 -3.957 -9.120 543 HG3 GLU 76 2HG GLU 76 0.402 -3.965 -7.799 544 H GLY 77 H GLY 77 -2.091 -3.505 -8.198 545 HA2 GLY 77 1HA GLY 77 -1.184 -0.927 -7.200 546 HA3 GLY 77 2HA GLY 77 -2.881 -1.030 -7.624 547 H LEU 78 H LEU 78 -2.243 -0.501 -4.990 548 HA LEU 78 HA LEU 78 -2.404 -3.067 -3.608 549 HB2 LEU 78 1HB LEU 78 -2.169 -0.383 -2.289 550 HB3 LEU 78 2HB LEU 78 -1.702 -1.960 -1.683 551 HG LEU 78 HG LEU 78 -0.309 -0.727 -4.058 552 HD11 LEU 78 1HD1 LEU 78 -0.407 0.606 -1.696 553 HD12 LEU 78 2HD1 LEU 78 1.007 -0.443 -1.428 554 HD13 LEU 78 3HD1 LEU 78 0.967 0.657 -2.827 555 HD21 LEU 78 1HD2 LEU 78 0.039 -3.109 -2.370 556 HD22 LEU 78 2HD2 LEU 78 0.595 -2.776 -4.028 557 HD23 LEU 78 3HD2 LEU 78 1.530 -2.174 -2.637 558 H VAL 79 H VAL 79 -3.956 -3.021 -1.614 559 HA VAL 79 HA VAL 79 -6.261 -1.373 -1.871 560 HB VAL 79 HB VAL 79 -7.177 -2.595 -3.519 561 HG11 VAL 79 1HG1 VAL 79 -5.201 -3.917 -4.003 562 HG12 VAL 79 2HG1 VAL 79 -5.534 -4.984 -2.618 563 HG13 VAL 79 3HG1 VAL 79 -6.636 -4.971 -4.016 564 HG21 VAL 79 1HG2 VAL 79 -8.416 -3.079 -1.308 565 HG22 VAL 79 2HG2 VAL 79 -8.785 -4.104 -2.716 566 HG23 VAL 79 3HG2 VAL 79 -7.713 -4.709 -1.430 567 H LEU 80 H LEU 80 -6.665 -0.964 0.235 568 HA LEU 80 HA LEU 80 -6.202 -3.171 2.115 569 HB2 LEU 80 1HB LEU 80 -5.941 -0.186 2.382 570 HB3 LEU 80 2HB LEU 80 -6.112 -1.222 3.785 571 HG LEU 80 HG LEU 80 -3.829 -0.991 3.655 572 HD11 LEU 80 1HD1 LEU 80 -4.705 -3.446 3.395 573 HD12 LEU 80 2HD1 LEU 80 -3.922 -3.344 1.800 574 HD13 LEU 80 3HD1 LEU 80 -2.965 -3.090 3.280 575 HD21 LEU 80 1HD2 LEU 80 -3.472 -1.481 0.746 576 HD22 LEU 80 2HD2 LEU 80 -4.197 0.073 1.223 577 HD23 LEU 80 3HD2 LEU 80 -2.598 -0.393 1.851 578 HA PRO 81 HA PRO 81 -10.455 -3.112 2.880 579 HB2 PRO 81 1HB PRO 81 -10.539 -4.514 5.225 580 HB3 PRO 81 2HB PRO 81 -10.410 -5.280 3.654 581 HG2 PRO 81 1HG PRO 81 -8.319 -4.903 5.709 582 HG3 PRO 81 2HG PRO 81 -8.336 -6.011 4.352 583 HD2 PRO 81 1HD PRO 81 -6.870 -3.553 4.543 584 HD3 PRO 81 2HD PRO 81 -6.980 -4.602 3.143 585 H LEU 82 H LEU 82 -11.851 -1.576 3.470 586 HA LEU 82 HA LEU 82 -11.628 -0.534 6.125 587 HB2 LEU 82 1HB LEU 82 -9.897 0.792 5.236 588 HB3 LEU 82 2HB LEU 82 -10.778 1.111 3.755 589 HG LEU 82 HG LEU 82 -10.571 2.980 5.523 590 HD11 LEU 82 1HD1 LEU 82 -12.813 3.859 4.952 591 HD12 LEU 82 2HD1 LEU 82 -11.940 3.205 3.545 592 HD13 LEU 82 3HD1 LEU 82 -13.249 2.262 4.298 593 HD21 LEU 82 1HD2 LEU 82 -11.655 2.877 7.482 594 HD22 LEU 82 2HD2 LEU 82 -13.073 2.065 6.776 595 HD23 LEU 82 3HD2 LEU 82 -11.631 1.118 7.216 596 H ALA 83 H ALA 83 -13.603 0.254 6.823 597 HA ALA 83 HA ALA 83 -15.781 -0.144 4.963 598 HB1 ALA 83 1HB ALA 83 -17.161 -0.108 6.909 599 HB2 ALA 83 2HB ALA 83 -15.682 -0.976 7.384 600 HB3 ALA 83 3HB ALA 83 -15.914 0.720 7.870 601 H GLU 84 H GLU 84 -17.475 1.501 4.643 602 HA GLU 84 HA GLU 84 -16.289 3.991 4.086 603 HB2 GLU 84 1HB GLU 84 -18.220 2.764 2.849 604 HB3 GLU 84 2HB GLU 84 -19.273 3.418 4.088 605 HG2 GLU 84 1HG GLU 84 -17.951 5.700 3.428 606 HG3 GLU 84 2HG GLU 84 -17.788 4.850 1.904 607 H GLU 85 H GLU 85 -17.736 2.606 6.900 608 HA GLU 85 HA GLU 85 -18.624 5.147 7.909 609 HB2 GLU 85 1HB GLU 85 -19.598 3.925 9.702 610 HB3 GLU 85 2HB GLU 85 -19.817 2.901 8.297 611 HG2 GLU 85 1HG GLU 85 -17.502 1.841 9.017 612 HG3 GLU 85 2HG GLU 85 -17.835 2.582 10.570 613 H GLU 86 H GLU 86 -15.669 3.636 7.532 614 HA GLU 86 HA GLU 86 -14.670 4.875 9.979 615 HB2 GLU 86 1HB GLU 86 -13.541 2.456 8.500 616 HB3 GLU 86 2HB GLU 86 -12.811 3.202 9.908 617 HG2 GLU 86 1HG GLU 86 -15.551 2.730 10.587 618 HG3 GLU 86 2HG GLU 86 -14.989 1.275 9.788 619 H LEU 87 H LEU 87 -14.908 5.136 6.640 620 HA LEU 87 HA LEU 87 -12.467 5.636 5.624 621 HB2 LEU 87 1HB LEU 87 -15.168 6.821 5.202 622 HB3 LEU 87 2HB LEU 87 -13.800 7.612 4.445 623 HG LEU 87 HG LEU 87 -14.418 4.670 4.090 624 HD11 LEU 87 1HD1 LEU 87 -16.133 6.552 3.263 625 HD12 LEU 87 2HD1 LEU 87 -14.991 6.595 1.898 626 HD13 LEU 87 3HD1 LEU 87 -15.797 5.069 2.336 627 HD21 LEU 87 1HD2 LEU 87 -12.748 6.462 2.322 628 HD22 LEU 87 2HD2 LEU 87 -12.066 5.533 3.679 629 HD23 LEU 87 3HD2 LEU 87 -12.851 4.685 2.325 630 HA PRO 88 HA PRO 88 -12.424 9.881 7.704 631 HB2 PRO 88 1HB PRO 88 -14.269 10.484 9.628 632 HB3 PRO 88 2HB PRO 88 -14.445 10.956 7.949 633 HG2 PRO 88 1HG PRO 88 -15.839 8.808 9.425 634 HG3 PRO 88 2HG PRO 88 -16.286 9.568 7.911 635 HD2 PRO 88 1HD PRO 88 -15.091 6.982 8.246 636 HD3 PRO 88 2HD PRO 88 -15.431 7.790 6.729 637 H THR 89 H THR 89 -13.161 7.064 9.509 638 HA THR 89 HA THR 89 -11.340 7.976 11.626 639 HB THR 89 HB THR 89 -12.509 6.458 13.034 640 HG1 THR 89 1HG THR 89 -12.763 4.495 12.044 641 HG21 THR 89 1HG2 THR 89 -14.888 6.573 11.287 642 HG22 THR 89 2HG2 THR 89 -14.650 7.271 12.907 643 HG23 THR 89 3HG2 THR 89 -14.108 8.163 11.465 644 H ALA 90 H ALA 90 -10.478 7.191 8.875 645 HA ALA 90 HA ALA 90 -8.578 5.177 9.771 646 HB1 ALA 90 1HB ALA 90 -8.939 3.766 7.844 647 HB2 ALA 90 2HB ALA 90 -10.512 4.007 8.642 648 HB3 ALA 90 3HB ALA 90 -10.118 4.912 7.161 649 H THR 91 H THR 91 -6.598 5.187 8.477 650 HA THR 91 HA THR 91 -6.373 7.417 6.600 651 HB THR 91 HB THR 91 -4.345 7.042 8.839 652 HG1 THR 91 1HG THR 91 -6.413 7.421 9.840 653 HG21 THR 91 1HG2 THR 91 -3.831 9.360 8.401 654 HG22 THR 91 2HG2 THR 91 -3.959 8.602 6.795 655 HG23 THR 91 3HG2 THR 91 -5.308 9.575 7.430 656 H LEU 92 H LEU 92 -4.806 7.158 5.004 657 HA LEU 92 HA LEU 92 -3.674 4.450 4.956 658 HB2 LEU 92 1HB LEU 92 -5.239 4.701 3.211 659 HB3 LEU 92 2HB LEU 92 -4.642 6.292 2.783 660 HG LEU 92 HG LEU 92 -4.071 4.155 1.341 661 HD11 LEU 92 1HD1 LEU 92 -3.383 6.360 0.709 662 HD12 LEU 92 2HD1 LEU 92 -2.138 6.396 1.981 663 HD13 LEU 92 3HD1 LEU 92 -1.968 5.284 0.601 664 HD21 LEU 92 1HD2 LEU 92 -2.960 3.206 3.554 665 HD22 LEU 92 2HD2 LEU 92 -2.293 2.858 1.940 666 HD23 LEU 92 3HD2 LEU 92 -1.558 4.124 2.953 667 H THR 93 H THR 93 -1.526 4.293 5.274 668 HA THR 93 HA THR 93 0.096 6.652 4.571 669 HB THR 93 HB THR 93 0.157 4.789 6.990 670 HG1 THR 93 1HG THR 93 -1.137 6.774 7.008 671 HG21 THR 93 1HG2 THR 93 2.120 6.781 7.310 672 HG22 THR 93 2HG2 THR 93 2.436 5.051 7.035 673 HG23 THR 93 3HG2 THR 93 2.398 6.178 5.658 674 H LEU 94 H LEU 94 1.323 6.278 2.844 675 HA LEU 94 HA LEU 94 1.989 3.521 2.222 676 HB2 LEU 94 1HB LEU 94 2.433 6.068 0.657 677 HB3 LEU 94 2HB LEU 94 2.735 4.440 0.083 678 HG LEU 94 HG LEU 94 -0.022 5.078 1.043 679 HD11 LEU 94 1HD1 LEU 94 1.172 6.138 -1.525 680 HD12 LEU 94 2HD1 LEU 94 -0.576 5.917 -1.276 681 HD13 LEU 94 3HD1 LEU 94 0.336 7.040 -0.238 682 HD21 LEU 94 1HD2 LEU 94 -0.163 3.711 -1.350 683 HD22 LEU 94 2HD2 LEU 94 1.322 3.072 -0.606 684 HD23 LEU 94 3HD2 LEU 94 -0.222 2.993 0.277 685 H THR 95 H THR 95 4.142 2.751 1.980 686 HA THR 95 HA THR 95 6.257 4.545 2.900 687 HB THR 95 HB THR 95 6.593 1.962 4.153 688 HG1 THR 95 1HG THR 95 4.335 1.677 4.158 689 HG21 THR 95 1HG2 THR 95 7.502 3.930 5.234 690 HG22 THR 95 2HG2 THR 95 5.934 4.770 5.163 691 HG23 THR 95 3HG2 THR 95 6.156 3.391 6.267 692 H LEU 96 H LEU 96 7.971 4.446 1.596 693 HA LEU 96 HA LEU 96 8.062 2.209 -0.268 694 HB2 LEU 96 1HB LEU 96 8.068 4.379 -1.263 695 HB3 LEU 96 2HB LEU 96 9.367 4.927 -0.222 696 HG LEU 96 HG LEU 96 10.896 3.290 -1.318 697 HD11 LEU 96 1HD1 LEU 96 8.655 2.884 -3.313 698 HD12 LEU 96 2HD1 LEU 96 10.273 2.142 -3.329 699 HD13 LEU 96 3HD1 LEU 96 9.109 1.713 -2.052 700 HD21 LEU 96 1HD2 LEU 96 9.612 5.149 -3.329 701 HD22 LEU 96 2HD2 LEU 96 10.661 5.703 -2.002 702 HD23 LEU 96 3HD2 LEU 96 11.307 4.611 -3.251 703 H ARG 97 H ARG 97 8.977 0.468 0.780 704 HA ARG 97 HA ARG 97 11.334 0.988 2.349 705 HB2 ARG 97 1HB ARG 97 9.568 -1.459 1.916 706 HB3 ARG 97 2HB ARG 97 11.109 -1.596 2.740 707 HG2 ARG 97 1HG ARG 97 10.380 -0.442 4.614 708 HG3 ARG 97 2HG ARG 97 9.325 0.612 3.693 709 HD2 ARG 97 1HD ARG 97 7.938 -0.880 5.046 710 HD3 ARG 97 2HD ARG 97 7.728 -1.309 3.360 711 HE ARG 97 HE ARG 97 9.883 -2.842 4.546 712 HH11 ARG 97 2HH2 ARG 97 6.375 -2.634 4.360 713 HH12 ARG 97 1HH2 ARG 97 6.130 -4.317 4.686 714 HH21 ARG 97 2HH1 ARG 97 9.561 -5.063 4.977 715 HH22 ARG 97 1HH1 ARG 97 7.954 -5.708 5.040 716 H THR 98 H THR 98 13.197 -0.738 2.057 717 HA THR 98 HA THR 98 13.543 -1.272 -0.820 718 HB THR 98 HB THR 98 15.938 -0.645 -0.470 719 HG1 THR 98 1HG THR 98 14.906 0.175 2.147 720 HG21 THR 98 1HG2 THR 98 14.610 1.654 0.905 721 HG22 THR 98 2HG2 THR 98 15.592 1.641 -0.580 722 HG23 THR 98 3HG2 THR 98 13.874 1.177 -0.644 723 H CYS 99 H CYS 99 14.626 -3.176 -1.414 724 HA CYS 99 HA CYS 99 14.229 -5.277 0.452 725 HB2 CYS 99 1HB CYS 99 13.855 -5.510 -2.003 726 HB3 CYS 99 2HB CYS 99 15.582 -5.360 -2.265 727 HG CYS 99 HG CYS 99 15.680 -7.305 -0.036 728 H ASP 100 H ASP 100 15.637 -4.847 2.245 729 HA ASP 100 HA ASP 100 18.449 -5.175 1.557 730 HB2 ASP 100 1HB ASP 100 17.086 -3.139 3.271 731 HB3 ASP 100 2HB ASP 100 18.538 -3.836 3.962 732 H ARG 101 H ARG 101 19.720 -6.067 3.547 733 HA ARG 101 HA ARG 101 18.557 -8.367 4.420 734 HB2 ARG 101 1HB ARG 101 21.026 -7.835 4.416 735 HB3 ARG 101 2HB ARG 101 20.787 -6.788 5.800 736 HG2 ARG 101 1HG ARG 101 20.101 -8.650 7.205 737 HG3 ARG 101 2HG ARG 101 19.984 -9.729 5.829 738 HD2 ARG 101 1HD ARG 101 22.619 -8.387 6.561 739 HD3 ARG 101 2HD ARG 101 22.121 -9.886 7.319 740 HE ARG 101 HE ARG 101 22.350 -11.025 5.232 741 HH11 ARG 101 2HH2 ARG 101 22.981 -7.578 4.912 742 HH12 ARG 101 1HH2 ARG 101 23.722 -7.729 3.353 743 HH21 ARG 101 2HH1 ARG 101 23.328 -11.225 3.176 744 HH22 ARG 101 1HH1 ARG 101 23.921 -9.817 2.360 745 H PHE 102 H PHE 102 19.359 -5.463 6.480 746 HA PHE 102 HA PHE 102 17.080 -6.219 8.171 747 HB2 PHE 102 1HB PHE 102 19.811 -4.910 8.661 748 HB3 PHE 102 2HB PHE 102 18.534 -4.781 9.854 749 HD1 PHE 102 2HD PHE 102 17.340 -7.349 10.054 750 HD2 PHE 102 1HD PHE 102 21.416 -6.409 9.339 751 HE1 PHE 102 2HE PHE 102 18.020 -9.563 11.021 752 HE2 PHE 102 1HE PHE 102 22.096 -8.623 10.306 753 HZ PHE 102 HZ PHE 102 20.390 -10.174 11.135 754 H SER 103 H SER 103 18.898 -3.571 6.563 755 HA SER 103 HA SER 103 18.436 -1.467 6.226 756 HB2 SER 103 1HB SER 103 16.231 -3.026 5.313 757 HB3 SER 103 2HB SER 103 15.535 -1.585 6.026 758 HG SER 103 HG SER 103 17.457 -0.541 4.659 759 H ARG 104 H ARG 104 18.680 -2.019 8.976 760 HA ARG 104 HA ARG 104 16.773 -1.522 10.693 761 HB2 ARG 104 1HB ARG 104 19.536 -0.211 10.647 762 HB3 ARG 104 2HB ARG 104 18.499 -0.205 12.059 763 HG2 ARG 104 1HG ARG 104 18.514 -2.905 11.258 764 HG3 ARG 104 2HG ARG 104 20.162 -2.382 10.975 765 HD2 ARG 104 1HD ARG 104 20.567 -2.576 13.200 766 HD3 ARG 104 2HD ARG 104 19.446 -1.261 13.492 767 HE ARG 104 HE ARG 104 17.912 -2.819 14.299 768 HH11 ARG 104 2HH2 ARG 104 20.179 -4.476 12.179 769 HH12 ARG 104 1HH2 ARG 104 19.520 -6.048 12.491 770 HH21 ARG 104 2HH1 ARG 104 17.042 -4.892 14.712 771 HH22 ARG 104 1HH1 ARG 104 17.724 -6.285 13.941 772 H HIS 105 H HIS 105 18.364 0.963 8.614 773 HA HIS 105 HA HIS 105 17.320 3.228 9.722 774 HB2 HIS 105 1HB HIS 105 18.939 2.738 7.671 775 HB3 HIS 105 2HB HIS 105 17.476 2.998 6.742 776 HD1 HIS 105 1HD HIS 105 16.572 5.405 6.556 777 HD2 HIS 105 2HD HIS 105 19.892 5.043 9.095 778 HE1 HIS 105 1HE HIS 105 17.347 7.783 7.063 779 H SER 106 H SER 106 15.525 4.661 8.854 780 HA SER 106 HA SER 106 13.133 3.281 9.052 781 HB2 SER 106 1HB SER 106 13.318 5.624 9.700 782 HB3 SER 106 2HB SER 106 13.771 6.095 8.074 783 HG SER 106 HG SER 106 11.703 6.233 7.560 784 H VAL 107 H VAL 107 11.383 4.285 7.100 785 HA VAL 107 HA VAL 107 11.953 2.534 4.942 786 HB VAL 107 HB VAL 107 9.807 3.142 4.147 787 HG11 VAL 107 1HG1 VAL 107 9.141 3.492 7.008 788 HG12 VAL 107 2HG1 VAL 107 8.622 2.244 5.848 789 HG13 VAL 107 3HG1 VAL 107 10.210 2.117 6.643 790 HG21 VAL 107 1HG2 VAL 107 10.462 5.729 5.064 791 HG22 VAL 107 2HG2 VAL 107 8.991 5.217 4.202 792 HG23 VAL 107 3HG2 VAL 107 9.020 5.232 5.982 793 H ALA 108 H ALA 108 11.854 3.279 2.598 794 HA ALA 108 HA ALA 108 13.888 5.220 2.214 795 HB1 ALA 108 1HB ALA 108 12.139 4.222 -0.016 796 HB2 ALA 108 2HB ALA 108 13.906 4.435 0.037 797 HB3 ALA 108 3HB ALA 108 13.152 3.048 0.860 798 H GLY 109 H GLY 109 10.516 5.417 2.782 799 HA2 GLY 109 1HA GLY 109 10.294 8.118 2.772 800 HA3 GLY 109 2HA GLY 109 9.987 7.696 1.100 801 H GLU 110 H GLU 110 8.282 8.629 3.590 802 HA GLU 110 HA GLU 110 6.268 6.540 3.282 803 HB2 GLU 110 1HB GLU 110 6.778 6.530 5.576 804 HB3 GLU 110 2HB GLU 110 7.057 8.259 5.635 805 HG2 GLU 110 1HG GLU 110 4.594 8.642 5.251 806 HG3 GLU 110 2HG GLU 110 4.340 6.909 5.274 807 H LEU 111 H LEU 111 4.299 7.117 2.405 808 HA LEU 111 HA LEU 111 3.870 10.000 2.030 809 HB2 LEU 111 1HB LEU 111 4.412 8.351 0.036 810 HB3 LEU 111 2HB LEU 111 2.708 7.970 0.177 811 HG LEU 111 HG LEU 111 2.418 9.653 -1.267 812 HD11 LEU 111 1HD1 LEU 111 1.636 10.557 0.974 813 HD12 LEU 111 2HD1 LEU 111 3.116 11.545 0.982 814 HD13 LEU 111 3HD1 LEU 111 1.915 11.752 -0.315 815 HD21 LEU 111 1HD2 LEU 111 4.288 10.337 -2.247 816 HD22 LEU 111 2HD2 LEU 111 4.424 11.594 -0.994 817 HD23 LEU 111 3HD2 LEU 111 5.241 10.028 -0.776 818 H ARG 112 H ARG 112 2.393 10.635 3.519 819 HA ARG 112 HA ARG 112 0.456 8.749 4.415 820 HB2 ARG 112 1HB ARG 112 1.685 11.043 5.494 821 HB3 ARG 112 2HB ARG 112 0.033 11.561 5.225 822 HG2 ARG 112 1HG ARG 112 0.619 8.908 6.587 823 HG3 ARG 112 2HG ARG 112 0.635 10.402 7.502 824 HD2 ARG 112 1HD ARG 112 -1.749 10.082 5.744 825 HD3 ARG 112 2HD ARG 112 -1.627 8.878 7.012 826 HE ARG 112 HE ARG 112 -2.203 11.708 7.364 827 HH11 ARG 112 2HH2 ARG 112 -0.758 8.905 8.925 828 HH12 ARG 112 1HH2 ARG 112 -1.015 9.505 10.529 829 HH21 ARG 112 2HH1 ARG 112 -2.542 12.501 9.480 830 HH22 ARG 112 1HH1 ARG 112 -2.036 11.565 10.847 831 H LEU 113 H LEU 113 -1.869 8.964 4.157 832 HA LEU 113 HA LEU 113 -2.822 11.070 2.418 833 HB2 LEU 113 1HB LEU 113 -3.124 8.165 1.647 834 HB3 LEU 113 2HB LEU 113 -3.830 9.540 0.822 835 HG LEU 113 HG LEU 113 -0.850 9.064 1.095 836 HD11 LEU 113 1HD1 LEU 113 -1.657 7.285 -0.239 837 HD12 LEU 113 2HD1 LEU 113 -2.771 8.352 -1.127 838 HD13 LEU 113 3HD1 LEU 113 -1.014 8.502 -1.369 839 HD21 LEU 113 1HD2 LEU 113 -0.493 10.884 -0.299 840 HD22 LEU 113 2HD2 LEU 113 -2.169 10.891 -0.897 841 HD23 LEU 113 3HD2 LEU 113 -1.812 11.446 0.757 842 H GLY 114 H GLY 114 -5.348 10.685 2.118 843 HA2 GLY 114 1HA GLY 114 -6.403 9.589 4.653 844 HA3 GLY 114 2HA GLY 114 -6.861 11.176 4.067 845 H LEU 115 H LEU 115 -8.718 9.019 4.539 846 HA LEU 115 HA LEU 115 -9.560 8.492 1.773 847 HB2 LEU 115 1HB LEU 115 -10.471 6.705 3.958 848 HB3 LEU 115 2HB LEU 115 -10.168 6.363 2.267 849 HG LEU 115 HG LEU 115 -8.504 5.169 3.346 850 HD11 LEU 115 1HD1 LEU 115 -6.616 7.362 3.196 851 HD12 LEU 115 2HD1 LEU 115 -6.779 5.920 2.166 852 HD13 LEU 115 3HD1 LEU 115 -7.738 7.377 1.814 853 HD21 LEU 115 1HD2 LEU 115 -7.362 5.730 5.310 854 HD22 LEU 115 2HD2 LEU 115 -7.734 7.463 5.144 855 HD23 LEU 115 3HD2 LEU 115 -9.022 6.315 5.581 856 H ASP 116 H ASP 116 -10.010 10.677 4.012 857 HA ASP 116 HA ASP 116 -12.821 10.345 4.442 858 HB2 ASP 116 1HB ASP 116 -12.581 12.608 5.571 859 HB3 ASP 116 2HB ASP 116 -11.576 11.343 6.250 860 H GLY 117 H GLY 117 -11.005 11.144 1.807 861 HA2 GLY 117 1HA GLY 117 -11.495 12.165 -0.141 862 HA3 GLY 117 2HA GLY 117 -13.099 12.517 0.470 863 H THR 118 H THR 118 -10.145 13.507 2.217 864 HA THR 118 HA THR 118 -10.794 16.296 1.520 865 HB THR 118 HB THR 118 -9.882 14.918 4.078 866 HG1 THR 118 1HG THR 118 -11.841 15.906 4.713 867 HG21 THR 118 1HG2 THR 118 -10.046 17.937 3.757 868 HG22 THR 118 2HG2 THR 118 -9.286 16.998 5.064 869 HG23 THR 118 3HG2 THR 118 -8.504 17.096 3.468 870 H SER 119 H SER 119 -7.901 14.858 3.101 871 HA SER 119 HA SER 119 -6.088 16.449 2.013 872 HB2 SER 119 1HB SER 119 -5.791 13.441 2.433 873 HB3 SER 119 2HB SER 119 -4.449 14.555 2.254 874 HG SER 119 HG SER 119 -4.873 15.477 4.228 875 H VAL 120 H VAL 120 -6.899 13.190 0.588 876 HA VAL 120 HA VAL 120 -6.304 14.354 -2.042 877 HB VAL 120 HB VAL 120 -5.599 11.852 -2.489 878 HG11 VAL 120 1HG1 VAL 120 -4.255 14.059 -2.591 879 HG12 VAL 120 2HG1 VAL 120 -3.618 13.577 -1.001 880 HG13 VAL 120 3HG1 VAL 120 -3.358 12.531 -2.418 881 HG21 VAL 120 1HG2 VAL 120 -4.305 10.977 -0.508 882 HG22 VAL 120 2HG2 VAL 120 -5.151 12.182 0.493 883 HG23 VAL 120 3HG2 VAL 120 -6.076 10.910 -0.341 884 HA PRO 121 HA PRO 121 -10.270 12.839 -2.911 885 HB2 PRO 121 1HB PRO 121 -10.311 13.250 -5.613 886 HB3 PRO 121 2HB PRO 121 -10.643 14.514 -4.446 887 HG2 PRO 121 1HG PRO 121 -8.211 14.084 -6.071 888 HG3 PRO 121 2HG PRO 121 -8.733 15.535 -5.239 889 HD2 PRO 121 1HD PRO 121 -6.685 13.714 -4.393 890 HD3 PRO 121 2HD PRO 121 -7.287 15.100 -3.506 891 H LEU 122 H LEU 122 -11.506 11.277 -4.381 892 HA LEU 122 HA LEU 122 -9.765 8.937 -4.544 893 HB2 LEU 122 1HB LEU 122 -12.747 9.301 -4.326 894 HB3 LEU 122 2HB LEU 122 -12.022 7.763 -4.751 895 HG LEU 122 HG LEU 122 -11.378 9.272 -2.205 896 HD11 LEU 122 1HD1 LEU 122 -12.804 7.299 -1.228 897 HD12 LEU 122 2HD1 LEU 122 -13.590 8.781 -1.823 898 HD13 LEU 122 3HD1 LEU 122 -13.561 7.320 -2.840 899 HD21 LEU 122 1HD2 LEU 122 -9.600 7.837 -2.524 900 HD22 LEU 122 2HD2 LEU 122 -10.709 6.834 -1.559 901 HD23 LEU 122 3HD2 LEU 122 -10.598 6.597 -3.320 902 H GLY 123 H GLY 123 -9.954 7.493 -6.434 903 HA2 GLY 123 1HA GLY 123 -9.793 7.168 -8.653 904 HA3 GLY 123 2HA GLY 123 -11.297 8.060 -8.772 905 H ALA 124 H ALA 124 -8.392 9.581 -7.392 906 HA ALA 124 HA ALA 124 -8.045 11.059 -9.908 907 HB1 ALA 124 1HB ALA 124 -8.381 13.049 -8.879 908 HB2 ALA 124 2HB ALA 124 -9.200 12.093 -7.620 909 HB3 ALA 124 3HB ALA 124 -7.491 12.549 -7.421 910 H ALA 125 H ALA 125 -6.076 10.507 -10.694 911 HA ALA 125 HA ALA 125 -4.065 9.464 -8.953 912 HB1 ALA 125 1HB ALA 125 -4.668 8.948 -11.479 913 HB2 ALA 125 2HB ALA 125 -3.564 10.307 -11.799 914 HB3 ALA 125 3HB ALA 125 -2.980 8.874 -10.921 915 H GLN 126 H GLN 126 -2.679 10.654 -7.750 916 HA GLN 126 HA GLN 126 -1.847 13.199 -8.870 917 HB2 GLN 126 1HB GLN 126 -1.942 14.018 -6.352 918 HB3 GLN 126 2HB GLN 126 -3.376 14.085 -7.358 919 HG2 GLN 126 1HG GLN 126 -3.062 11.458 -6.050 920 HG3 GLN 126 2HG GLN 126 -3.144 12.767 -4.888 921 HE21 GLN 126 1HE2 GLN 126 -5.138 11.322 -4.530 922 HE22 GLN 126 2HE2 GLN 126 -6.609 11.839 -5.283 923 H TRP 127 H TRP 127 0.273 13.924 -8.105 924 HA TRP 127 HA TRP 127 1.886 11.657 -7.234 925 HB2 TRP 127 1HB TRP 127 2.457 14.240 -8.650 926 HB3 TRP 127 2HB TRP 127 3.745 13.377 -7.834 927 HD1 TRP 127 HD TRP 127 1.309 12.935 -10.808 928 HE1 TRP 127 1HE TRP 127 2.189 11.101 -12.489 929 HE3 TRP 127 3HE TRP 127 5.199 11.400 -7.916 930 HZ2 TRP 127 2HZ TRP 127 4.365 9.255 -12.422 931 HZ3 TRP 127 3HZ TRP 127 6.653 9.577 -8.798 932 HH2 TRP 127 HH TRP 127 6.287 8.513 -10.967 933 H GLY 128 H GLY 128 3.061 11.690 -5.287 934 HA2 GLY 128 1HA GLY 128 2.705 14.085 -3.594 935 HA3 GLY 128 2HA GLY 128 2.359 12.476 -2.992 936 H GLU 129 H GLU 129 4.426 14.490 -2.121 937 HA GLU 129 HA GLU 129 6.878 13.233 -2.943 938 HB2 GLU 129 1HB GLU 129 6.076 15.790 -1.748 939 HB3 GLU 129 2HB GLU 129 7.444 15.094 -0.902 940 HG2 GLU 129 1HG GLU 129 8.865 15.387 -2.681 941 HG3 GLU 129 2HG GLU 129 7.661 14.892 -3.855 942 H LEU 130 H LEU 130 8.063 11.777 -1.724 943 HA LEU 130 HA LEU 130 6.782 10.475 0.400 944 HB2 LEU 130 1HB LEU 130 9.608 10.405 -0.650 945 HB3 LEU 130 2HB LEU 130 9.046 9.377 0.654 946 HG LEU 130 HG LEU 130 7.679 9.413 -2.039 947 HD11 LEU 130 1HD1 LEU 130 9.589 8.641 -2.920 948 HD12 LEU 130 2HD1 LEU 130 10.300 8.281 -1.329 949 HD13 LEU 130 3HD1 LEU 130 9.174 7.127 -2.081 950 HD21 LEU 130 1HD2 LEU 130 7.682 7.542 0.328 951 HD22 LEU 130 2HD2 LEU 130 6.309 8.375 -0.440 952 HD23 LEU 130 3HD2 LEU 130 7.125 7.037 -1.285 953 H LYS 131 H LYS 131 6.967 10.630 2.626 954 HA LYS 131 HA LYS 131 8.270 13.070 3.543 955 HB2 LYS 131 1HB LYS 131 6.184 11.254 4.776 956 HB3 LYS 131 2HB LYS 131 6.940 12.575 5.644 957 HG2 LYS 131 1HG LYS 131 5.495 12.917 2.975 958 HG3 LYS 131 2HG LYS 131 4.728 13.165 4.531 959 HD2 LYS 131 1HD LYS 131 5.492 15.299 4.499 960 HD3 LYS 131 2HD LYS 131 7.117 14.670 4.687 961 HE2 LYS 131 1HE LYS 131 7.471 14.607 2.284 962 HE3 LYS 131 2HE LYS 131 5.773 14.896 1.958 963 HZ1 LYS 131 1HZ LYS 131 5.961 17.072 2.757 964 HZ2 LYS 131 2HZ LYS 131 7.431 16.820 3.423 965 HZ3 LYS 131 3HZ LYS 131 7.267 16.859 1.799 966 H THR 132 H THR 132 10.206 11.364 2.788 967 HA THR 132 HA THR 132 11.056 9.319 4.299 968 HB THR 132 HB THR 132 13.344 10.091 3.677 969 HG1 THR 132 1HG THR 132 11.748 12.509 3.221 970 HG21 THR 132 1HG2 THR 132 11.391 9.546 1.840 971 HG22 THR 132 2HG2 THR 132 11.744 11.236 1.408 972 HG23 THR 132 3HG2 THR 132 13.042 10.018 1.372 973 H SER 133 H SER 133 10.702 9.073 6.440 974 HA SER 133 HA SER 133 11.316 11.310 8.149 975 HB2 SER 133 1HB SER 133 10.206 10.053 9.898 976 HB3 SER 133 2HB SER 133 9.221 9.946 8.453 977 HG SER 133 HG SER 133 9.529 7.820 8.365 978 H GLY 134 H GLY 134 13.219 11.483 9.299 979 HA2 GLY 134 1HA GLY 134 14.835 9.034 9.636 980 HA3 GLY 134 2HA GLY 134 15.537 10.510 9.002 981 HA PRO 135 HA PRO 135 15.348 10.537 13.671 982 HB2 PRO 135 1HB PRO 135 17.709 9.371 14.405 983 HB3 PRO 135 2HB PRO 135 16.178 8.518 14.404 984 HG2 PRO 135 1HG PRO 135 18.416 8.310 12.485 985 HG3 PRO 135 2HG PRO 135 17.091 7.194 12.751 986 HD2 PRO 135 1HD PRO 135 17.362 9.051 10.581 987 HD3 PRO 135 2HD PRO 135 15.985 8.018 10.912 988 H SER 136 H SER 136 18.246 10.840 11.700 989 HA SER 136 HA SER 136 19.649 12.477 11.459 990 HB2 SER 136 1HB SER 136 17.872 13.986 10.944 991 HB3 SER 136 2HB SER 136 17.335 14.066 12.610 992 HG SER 136 HG SER 136 19.100 15.354 13.162 993 H SER 137 H SER 137 21.279 11.678 12.859 994 HA SER 137 HA SER 137 21.289 11.549 15.512 995 HB2 SER 137 1HB SER 137 23.573 12.365 13.667 996 HB3 SER 137 2HB SER 137 23.814 11.947 15.352 997 HG SER 137 HG SER 137 22.282 10.035 14.047 998 H GLY 138 H GLY 138 22.432 12.951 17.206 999 HA2 GLY 138 1HA GLY 138 23.285 15.323 17.433 1000 HA3 GLY 138 2HA GLY 138 21.748 15.784 16.729 Start of MODEL 13 1 H1 GLY 1 H GLY 1 13.012 13.770 21.143 2 HA2 GLY 1 1HA GLY 1 13.811 16.125 21.322 3 HA3 GLY 1 2HA GLY 1 14.893 15.550 22.575 4 H SER 2 H SER 2 15.161 16.662 19.630 5 HA SER 2 HA SER 2 16.589 14.449 18.460 6 HB2 SER 2 1HB SER 2 15.008 16.117 17.214 7 HB3 SER 2 2HB SER 2 16.350 17.242 17.293 8 HG SER 2 HG SER 2 16.141 15.782 15.321 9 H SER 3 H SER 3 18.799 15.180 17.321 10 HA SER 3 HA SER 3 20.201 17.078 18.979 11 HB2 SER 3 1HB SER 3 20.470 14.207 19.270 12 HB3 SER 3 2HB SER 3 21.979 14.855 18.658 13 HG SER 3 HG SER 3 20.576 15.610 21.069 14 H GLY 4 H GLY 4 20.619 14.534 16.404 15 HA2 GLY 4 1HA GLY 4 22.652 15.990 15.034 16 HA3 GLY 4 2HA GLY 4 21.795 14.566 14.476 17 H SER 5 H SER 5 22.362 16.510 12.611 18 HA SER 5 HA SER 5 19.702 17.336 11.934 19 HB2 SER 5 1HB SER 5 21.528 19.204 13.087 20 HB3 SER 5 2HB SER 5 21.460 19.582 11.378 21 HG SER 5 HG SER 5 18.977 19.073 12.667 22 H SER 6 H SER 6 19.651 18.170 9.590 23 HA SER 6 HA SER 6 21.898 17.946 7.986 24 HB2 SER 6 1HB SER 6 21.196 15.848 6.711 25 HB3 SER 6 2HB SER 6 21.896 15.574 8.293 26 HG SER 6 HG SER 6 19.134 15.406 7.497 27 H GLY 7 H GLY 7 21.264 18.104 5.595 28 HA2 GLY 7 1HA GLY 7 18.587 18.388 4.788 29 HA3 GLY 7 2HA GLY 7 19.198 19.965 5.249 30 H SER 8 H SER 8 19.221 20.824 3.118 31 HA SER 8 HA SER 8 20.113 21.334 1.207 32 HB2 SER 8 1HB SER 8 22.411 19.500 2.022 33 HB3 SER 8 2HB SER 8 22.456 20.605 0.664 34 HG SER 8 HG SER 8 22.938 22.197 2.002 35 H TRP 9 H TRP 9 19.350 20.643 -0.766 36 HA TRP 9 HA TRP 9 19.953 18.149 -1.869 37 HB2 TRP 9 1HB TRP 9 17.825 17.012 -1.761 38 HB3 TRP 9 2HB TRP 9 18.500 17.228 -0.159 39 HD1 TRP 9 HD TRP 9 16.206 19.645 -2.221 40 HE1 TRP 9 1HE TRP 9 14.108 20.362 -0.790 41 HE3 TRP 9 3HE TRP 9 17.350 16.808 1.840 42 HZ2 TRP 9 2HZ TRP 9 13.183 19.677 1.822 43 HZ3 TRP 9 3HZ TRP 9 15.797 16.890 3.789 44 HH2 TRP 9 HH TRP 9 13.774 18.261 3.823 45 H ASN 10 H ASN 10 18.739 17.902 -3.996 46 HA ASN 10 HA ASN 10 17.981 20.564 -4.892 47 HB2 ASN 10 1HB ASN 10 19.749 18.576 -5.964 48 HB3 ASN 10 2HB ASN 10 18.374 18.630 -7.050 49 HD21 ASN 10 1HD2 ASN 10 21.291 19.643 -6.973 50 HD22 ASN 10 2HD2 ASN 10 21.202 21.263 -7.581 51 H GLN 11 H GLN 11 17.367 17.060 -5.733 52 HA GLN 11 HA GLN 11 14.661 17.795 -6.435 53 HB2 GLN 11 1HB GLN 11 16.315 15.281 -6.895 54 HB3 GLN 11 2HB GLN 11 14.610 15.370 -7.291 55 HG2 GLN 11 1HG GLN 11 14.960 17.082 -8.936 56 HG3 GLN 11 2HG GLN 11 16.559 17.461 -8.328 57 HE21 GLN 11 1HE2 GLN 11 15.304 16.433 -10.941 58 HE22 GLN 11 2HE2 GLN 11 16.335 15.134 -11.441 59 H ALA 12 H ALA 12 13.035 15.778 -5.889 60 HA ALA 12 HA ALA 12 13.546 14.896 -3.152 61 HB1 ALA 12 1HB ALA 12 11.651 16.962 -3.994 62 HB2 ALA 12 2HB ALA 12 10.841 15.607 -3.172 63 HB3 ALA 12 3HB ALA 12 12.158 16.484 -2.356 64 HA PRO 13 HA PRO 13 11.713 11.292 -4.684 65 HB2 PRO 13 1HB PRO 13 10.838 10.083 -2.395 66 HB3 PRO 13 2HB PRO 13 12.509 10.041 -2.922 67 HG2 PRO 13 1HG PRO 13 11.290 11.632 -0.749 68 HG3 PRO 13 2HG PRO 13 12.980 11.252 -1.016 69 HD2 PRO 13 1HD PRO 13 11.677 13.749 -1.557 70 HD3 PRO 13 2HD PRO 13 13.337 13.330 -1.931 71 H LYS 14 H LYS 14 9.961 10.857 -5.866 72 HA LYS 14 HA LYS 14 7.477 11.931 -4.723 73 HB2 LYS 14 1HB LYS 14 8.718 12.213 -7.361 74 HB3 LYS 14 2HB LYS 14 7.063 11.643 -7.454 75 HG2 LYS 14 1HG LYS 14 6.597 13.559 -5.668 76 HG3 LYS 14 2HG LYS 14 8.112 14.218 -6.252 77 HD2 LYS 14 1HD LYS 14 6.150 13.356 -8.352 78 HD3 LYS 14 2HD LYS 14 5.702 14.762 -7.408 79 HE2 LYS 14 1HE LYS 14 8.463 14.531 -8.670 80 HE3 LYS 14 2HE LYS 14 7.097 15.141 -9.583 81 HZ1 LYS 14 1HZ LYS 14 6.865 16.579 -7.406 82 HZ2 LYS 14 2HZ LYS 14 8.481 16.342 -7.361 83 HZ3 LYS 14 3HZ LYS 14 7.794 17.046 -8.665 84 H LEU 15 H LEU 15 5.552 10.658 -4.939 85 HA LEU 15 HA LEU 15 5.980 7.922 -5.858 86 HB2 LEU 15 1HB LEU 15 6.424 7.559 -3.626 87 HB3 LEU 15 2HB LEU 15 5.299 8.787 -3.080 88 HG LEU 15 HG LEU 15 3.405 7.374 -3.538 89 HD11 LEU 15 1HD1 LEU 15 3.457 5.286 -4.607 90 HD12 LEU 15 2HD1 LEU 15 4.485 6.338 -5.609 91 HD13 LEU 15 3HD1 LEU 15 5.229 5.169 -4.492 92 HD21 LEU 15 1HD2 LEU 15 5.471 5.647 -2.159 93 HD22 LEU 15 2HD2 LEU 15 4.719 7.076 -1.411 94 HD23 LEU 15 3HD2 LEU 15 3.712 5.688 -1.889 95 H HIS 16 H HIS 16 4.567 7.835 -7.532 96 HA HIS 16 HA HIS 16 2.176 9.385 -7.467 97 HB2 HIS 16 1HB HIS 16 3.600 8.861 -9.501 98 HB3 HIS 16 2HB HIS 16 2.955 7.232 -9.446 99 HD1 HIS 16 1HD HIS 16 0.775 6.840 -10.640 100 HD2 HIS 16 2HD HIS 16 1.470 10.904 -9.870 101 HE1 HIS 16 1HE HIS 16 -1.089 8.121 -11.823 102 H TYR 17 H TYR 17 0.041 8.686 -7.171 103 HA TYR 17 HA TYR 17 -0.514 5.891 -6.843 104 HB2 TYR 17 1HB TYR 17 -1.334 6.378 -4.434 105 HB3 TYR 17 2HB TYR 17 0.408 6.396 -4.617 106 HD1 TYR 17 1HD TYR 17 -2.561 8.671 -4.574 107 HD2 TYR 17 2HD TYR 17 1.650 8.267 -3.932 108 HE1 TYR 17 1HE TYR 17 -2.476 11.020 -3.604 109 HE2 TYR 17 2HE TYR 17 1.721 10.617 -2.965 110 HH TYR 17 HH TYR 17 0.163 12.155 -1.863 111 H CYS 18 H CYS 18 -2.729 5.445 -7.046 112 HA CYS 18 HA CYS 18 -4.401 7.831 -7.369 113 HB2 CYS 18 1HB CYS 18 -4.083 6.990 -9.564 114 HB3 CYS 18 2HB CYS 18 -4.275 5.324 -9.055 115 HG CYS 18 HG CYS 18 -6.408 7.711 -9.617 116 H LEU 19 H LEU 19 -5.460 7.816 -5.368 117 HA LEU 19 HA LEU 19 -6.224 5.361 -4.136 118 HB2 LEU 19 1HB LEU 19 -7.103 8.164 -3.449 119 HB3 LEU 19 2HB LEU 19 -7.145 6.749 -2.415 120 HG LEU 19 HG LEU 19 -4.821 8.458 -3.216 121 HD11 LEU 19 1HD1 LEU 19 -4.618 8.858 -1.013 122 HD12 LEU 19 2HD1 LEU 19 -6.301 8.284 -0.946 123 HD13 LEU 19 3HD1 LEU 19 -4.966 7.171 -0.562 124 HD21 LEU 19 1HD2 LEU 19 -4.597 5.540 -2.434 125 HD22 LEU 19 2HD2 LEU 19 -4.062 6.297 -3.954 126 HD23 LEU 19 3HD2 LEU 19 -3.250 6.703 -2.423 127 H ASP 20 H ASP 20 -8.227 4.355 -4.070 128 HA ASP 20 HA ASP 20 -10.472 5.687 -5.202 129 HB2 ASP 20 1HB ASP 20 -9.596 4.898 -7.291 130 HB3 ASP 20 2HB ASP 20 -9.097 3.367 -6.600 131 H TYR 21 H TYR 21 -11.979 5.120 -3.623 132 HA TYR 21 HA TYR 21 -11.717 2.499 -2.359 133 HB2 TYR 21 1HB TYR 21 -11.875 4.718 -1.078 134 HB3 TYR 21 2HB TYR 21 -13.438 5.000 -1.820 135 HD1 TYR 21 2HD TYR 21 -11.607 2.688 0.460 136 HD2 TYR 21 1HD TYR 21 -15.416 4.114 -0.867 137 HE1 TYR 21 2HE TYR 21 -12.743 1.446 2.365 138 HE2 TYR 21 1HE TYR 21 -16.540 2.867 1.043 139 HH TYR 21 HH TYR 21 -15.263 0.462 2.621 140 H ASP 22 H ASP 22 -13.031 0.837 -2.914 141 HA ASP 22 HA ASP 22 -15.312 1.506 -4.565 142 HB2 ASP 22 1HB ASP 22 -13.393 -0.403 -4.887 143 HB3 ASP 22 2HB ASP 22 -14.557 -1.340 -3.972 144 H CYS 23 H CYS 23 -16.753 2.206 -2.814 145 HA CYS 23 HA CYS 23 -17.151 1.088 -0.415 146 HB2 CYS 23 1HB CYS 23 -19.250 2.131 -0.350 147 HB3 CYS 23 2HB CYS 23 -18.330 3.096 -1.487 148 HG CYS 23 HG CYS 23 -21.085 1.994 -1.853 149 H GLN 24 H GLN 24 -18.199 -0.116 -3.626 150 HA GLN 24 HA GLN 24 -19.977 -2.028 -2.773 151 HB2 GLN 24 1HB GLN 24 -18.099 -2.279 -5.160 152 HB3 GLN 24 2HB GLN 24 -19.663 -3.046 -4.969 153 HG2 GLN 24 1HG GLN 24 -19.927 -0.166 -4.584 154 HG3 GLN 24 2HG GLN 24 -19.113 -0.487 -6.102 155 HE21 GLN 24 1HE2 GLN 24 -20.107 -2.546 -7.236 156 HE22 GLN 24 2HE2 GLN 24 -21.825 -2.499 -7.454 157 H LYS 25 H LYS 25 -16.394 -2.187 -3.225 158 HA LYS 25 HA LYS 25 -16.433 -4.879 -2.097 159 HB2 LYS 25 1HB LYS 25 -13.919 -3.601 -3.069 160 HB3 LYS 25 2HB LYS 25 -14.445 -5.269 -3.169 161 HG2 LYS 25 1HG LYS 25 -16.294 -4.388 -4.799 162 HG3 LYS 25 2HG LYS 25 -15.336 -2.922 -4.886 163 HD2 LYS 25 1HD LYS 25 -13.863 -3.891 -6.315 164 HD3 LYS 25 2HD LYS 25 -13.581 -5.217 -5.205 165 HE2 LYS 25 1HE LYS 25 -16.113 -5.827 -6.189 166 HE3 LYS 25 2HE LYS 25 -15.351 -5.095 -7.587 167 HZ1 LYS 25 1HZ LYS 25 -14.621 -7.203 -7.782 168 HZ2 LYS 25 2HZ LYS 25 -13.409 -6.648 -6.839 169 HZ3 LYS 25 3HZ LYS 25 -14.626 -7.515 -6.179 170 H ALA 26 H ALA 26 -16.572 -1.825 -0.933 171 HA ALA 26 HA ALA 26 -15.704 -0.723 0.816 172 HB1 ALA 26 1HB ALA 26 -15.600 -2.647 2.805 173 HB2 ALA 26 2HB ALA 26 -17.064 -1.781 2.282 174 HB3 ALA 26 3HB ALA 26 -16.690 -3.385 1.607 175 H GLU 27 H GLU 27 -13.667 -1.796 -1.028 176 HA GLU 27 HA GLU 27 -11.528 -2.040 0.937 177 HB2 GLU 27 1HB GLU 27 -12.050 -3.682 -1.538 178 HB3 GLU 27 2HB GLU 27 -10.387 -3.373 -1.081 179 HG2 GLU 27 1HG GLU 27 -12.118 -4.201 1.189 180 HG3 GLU 27 2HG GLU 27 -11.968 -5.417 -0.064 181 H LEU 28 H LEU 28 -9.900 -0.539 0.706 182 HA LEU 28 HA LEU 28 -10.216 1.451 -1.306 183 HB2 LEU 28 1HB LEU 28 -9.505 1.848 1.049 184 HB3 LEU 28 2HB LEU 28 -7.984 1.056 0.690 185 HG LEU 28 HG LEU 28 -7.505 2.788 -1.026 186 HD11 LEU 28 1HD1 LEU 28 -8.884 4.898 -0.928 187 HD12 LEU 28 2HD1 LEU 28 -9.666 3.500 -1.704 188 HD13 LEU 28 3HD1 LEU 28 -10.114 3.962 -0.044 189 HD21 LEU 28 1HD2 LEU 28 -8.021 3.717 1.808 190 HD22 LEU 28 2HD2 LEU 28 -6.512 3.064 1.125 191 HD23 LEU 28 3HD2 LEU 28 -7.110 4.656 0.601 192 H PHE 29 H PHE 29 -8.274 2.166 -2.676 193 HA PHE 29 HA PHE 29 -6.604 -0.071 -3.473 194 HB2 PHE 29 1HB PHE 29 -8.603 1.499 -5.200 195 HB3 PHE 29 2HB PHE 29 -7.304 0.564 -5.914 196 HD1 PHE 29 2HD PHE 29 -10.500 0.395 -4.149 197 HD2 PHE 29 1HD PHE 29 -7.354 -1.867 -5.879 198 HE1 PHE 29 2HE PHE 29 -11.944 -1.658 -4.092 199 HE2 PHE 29 1HE PHE 29 -8.798 -3.920 -5.822 200 HZ PHE 29 HZ PHE 29 -11.075 -3.790 -4.929 201 H VAL 30 H VAL 30 -4.599 0.574 -4.289 202 HA VAL 30 HA VAL 30 -4.263 3.467 -4.657 203 HB VAL 30 HB VAL 30 -2.325 1.604 -3.275 204 HG11 VAL 30 1HG1 VAL 30 -1.926 4.098 -4.498 205 HG12 VAL 30 2HG1 VAL 30 -2.010 4.442 -2.754 206 HG13 VAL 30 3HG1 VAL 30 -0.830 3.261 -3.372 207 HG21 VAL 30 1HG2 VAL 30 -3.687 3.777 -1.763 208 HG22 VAL 30 2HG2 VAL 30 -4.660 2.341 -2.160 209 HG23 VAL 30 3HG2 VAL 30 -3.153 2.165 -1.230 210 H THR 31 H THR 31 -4.676 2.792 -6.955 211 HA THR 31 HA THR 31 -2.537 1.216 -8.143 212 HB THR 31 HB THR 31 -4.025 1.586 -10.204 213 HG1 THR 31 1HG THR 31 -5.045 3.545 -9.486 214 HG21 THR 31 1HG2 THR 31 -4.512 -0.455 -8.991 215 HG22 THR 31 2HG2 THR 31 -5.227 0.450 -7.634 216 HG23 THR 31 3HG2 THR 31 -6.075 0.372 -9.197 217 H ARG 32 H ARG 32 -1.929 2.220 -10.493 218 HA ARG 32 HA ARG 32 -0.715 3.673 -11.531 219 HB2 ARG 32 1HB ARG 32 -2.082 5.789 -9.790 220 HB3 ARG 32 2HB ARG 32 -1.181 6.123 -11.256 221 HG2 ARG 32 1HG ARG 32 -3.423 4.112 -11.415 222 HG3 ARG 32 2HG ARG 32 -3.855 5.805 -11.277 223 HD2 ARG 32 1HD ARG 32 -2.204 6.229 -13.239 224 HD3 ARG 32 2HD ARG 32 -2.181 4.490 -13.460 225 HE ARG 32 HE ARG 32 -4.329 6.284 -14.204 226 HH11 ARG 32 2HH2 ARG 32 -3.696 3.020 -13.051 227 HH12 ARG 32 1HH2 ARG 32 -5.150 2.363 -13.724 228 HH21 ARG 32 2HH1 ARG 32 -6.248 5.417 -15.093 229 HH22 ARG 32 1HH1 ARG 32 -6.611 3.735 -14.894 230 H LEU 33 H LEU 33 0.724 2.383 -9.663 231 HA LEU 33 HA LEU 33 1.977 4.286 -7.880 232 HB2 LEU 33 1HB LEU 33 2.090 1.320 -8.288 233 HB3 LEU 33 2HB LEU 33 3.374 2.127 -7.409 234 HG LEU 33 HG LEU 33 0.450 2.371 -6.664 235 HD11 LEU 33 1HD1 LEU 33 0.571 0.216 -6.075 236 HD12 LEU 33 2HD1 LEU 33 2.347 0.176 -6.201 237 HD13 LEU 33 3HD1 LEU 33 1.573 0.798 -4.723 238 HD21 LEU 33 1HD2 LEU 33 2.756 2.788 -4.794 239 HD22 LEU 33 2HD2 LEU 33 2.297 4.077 -5.932 240 HD23 LEU 33 3HD2 LEU 33 1.112 3.468 -4.752 241 H GLU 34 H GLU 34 3.639 5.552 -8.493 242 HA GLU 34 HA GLU 34 5.569 4.419 -10.306 243 HB2 GLU 34 1HB GLU 34 4.496 7.185 -10.926 244 HB3 GLU 34 2HB GLU 34 5.448 6.130 -11.952 245 HG2 GLU 34 1HG GLU 34 3.568 4.591 -12.240 246 HG3 GLU 34 2HG GLU 34 2.623 5.435 -11.029 247 H ALA 35 H ALA 35 7.079 4.445 -8.587 248 HA ALA 35 HA ALA 35 7.420 6.702 -6.924 249 HB1 ALA 35 1HB ALA 35 9.610 5.447 -6.394 250 HB2 ALA 35 2HB ALA 35 8.084 4.588 -6.075 251 HB3 ALA 35 3HB ALA 35 9.033 4.207 -7.532 252 H VAL 36 H VAL 36 8.603 8.547 -7.205 253 HA VAL 36 HA VAL 36 10.353 8.608 -9.566 254 HB VAL 36 HB VAL 36 8.384 10.628 -8.509 255 HG11 VAL 36 1HG1 VAL 36 9.888 12.233 -8.971 256 HG12 VAL 36 2HG1 VAL 36 10.957 11.110 -9.846 257 HG13 VAL 36 3HG1 VAL 36 9.568 11.848 -10.679 258 HG21 VAL 36 1HG2 VAL 36 7.587 8.933 -10.137 259 HG22 VAL 36 2HG2 VAL 36 7.511 10.592 -10.777 260 HG23 VAL 36 3HG2 VAL 36 8.816 9.497 -11.294 261 H THR 37 H THR 37 12.091 7.910 -8.115 262 HA THR 37 HA THR 37 12.876 10.008 -6.206 263 HB THR 37 HB THR 37 14.040 8.223 -5.025 264 HG1 THR 37 1HG THR 37 13.157 6.551 -7.261 265 HG21 THR 37 1HG2 THR 37 11.586 8.087 -4.644 266 HG22 THR 37 2HG2 THR 37 11.400 7.127 -6.131 267 HG23 THR 37 3HG2 THR 37 12.278 6.450 -4.738 268 H SER 38 H SER 38 14.473 7.572 -8.376 269 HA SER 38 HA SER 38 16.002 7.877 -9.919 270 HB2 SER 38 1HB SER 38 16.264 10.833 -9.268 271 HB3 SER 38 2HB SER 38 16.646 10.022 -10.774 272 HG SER 38 HG SER 38 13.992 9.627 -10.051 273 H ASN 39 H ASN 39 17.505 6.615 -8.740 274 HA ASN 39 HA ASN 39 19.807 7.913 -7.935 275 HB2 ASN 39 1HB ASN 39 17.956 8.115 -5.908 276 HB3 ASN 39 2HB ASN 39 18.671 6.568 -5.500 277 HD21 ASN 39 1HD2 ASN 39 19.113 9.983 -5.753 278 HD22 ASN 39 2HD2 ASN 39 20.672 10.106 -5.010 279 H HIS 40 H HIS 40 21.462 6.250 -7.193 280 HA HIS 40 HA HIS 40 20.538 3.504 -7.353 281 HB2 HIS 40 1HB HIS 40 21.075 3.981 -9.646 282 HB3 HIS 40 2HB HIS 40 22.596 4.728 -9.202 283 HD1 HIS 40 1HD HIS 40 23.661 2.928 -10.903 284 HD2 HIS 40 2HD HIS 40 22.009 1.376 -7.373 285 HE1 HIS 40 1HE HIS 40 24.571 0.555 -10.670 286 H ASP 41 H ASP 41 21.031 4.361 -4.964 287 HA ASP 41 HA ASP 41 23.873 3.936 -4.495 288 HB2 ASP 41 1HB ASP 41 22.065 5.897 -3.529 289 HB3 ASP 41 2HB ASP 41 22.307 4.815 -2.172 290 H GLY 42 H GLY 42 20.536 3.313 -3.168 291 HA2 GLY 42 1HA GLY 42 21.150 1.457 -1.222 292 HA3 GLY 42 2HA GLY 42 19.646 1.535 -2.119 293 H GLY 43 H GLY 43 20.024 0.736 -4.613 294 HA2 GLY 43 1HA GLY 43 20.945 -0.859 -6.022 295 HA3 GLY 43 2HA GLY 43 21.810 -1.578 -4.678 296 H CYS 44 H CYS 44 19.887 -2.067 -2.755 297 HA CYS 44 HA CYS 44 18.773 -4.413 -3.551 298 HB2 CYS 44 1HB CYS 44 18.146 -2.509 -1.309 299 HB3 CYS 44 2HB CYS 44 17.116 -3.902 -1.567 300 HG CYS 44 HG CYS 44 20.239 -4.555 -1.921 301 H ASP 45 H ASP 45 16.211 -4.811 -3.477 302 HA ASP 45 HA ASP 45 15.199 -3.275 -5.645 303 HB2 ASP 45 1HB ASP 45 14.541 -5.787 -4.221 304 HB3 ASP 45 2HB ASP 45 13.113 -4.894 -4.708 305 H CYS 46 H CYS 46 13.385 -1.816 -5.542 306 HA CYS 46 HA CYS 46 12.626 -1.080 -2.814 307 HB2 CYS 46 1HB CYS 46 12.287 1.143 -3.549 308 HB3 CYS 46 2HB CYS 46 13.811 0.639 -4.253 309 HG CYS 46 HG CYS 46 12.777 -0.135 -6.569 310 H TYR 47 H TYR 47 10.383 -0.939 -2.303 311 HA TYR 47 HA TYR 47 8.493 -1.504 -4.448 312 HB2 TYR 47 1HB TYR 47 7.523 -3.301 -2.887 313 HB3 TYR 47 2HB TYR 47 9.110 -3.713 -3.506 314 HD1 TYR 47 1HD TYR 47 11.148 -3.253 -2.005 315 HD2 TYR 47 2HD TYR 47 7.121 -3.197 -0.562 316 HE1 TYR 47 1HE TYR 47 11.989 -3.557 0.375 317 HE2 TYR 47 2HE TYR 47 7.976 -3.501 1.813 318 HH TYR 47 HH TYR 47 10.126 -4.563 2.829 319 H VAL 48 H VAL 48 6.279 -0.947 -3.898 320 HA VAL 48 HA VAL 48 6.218 1.122 -1.857 321 HB VAL 48 HB VAL 48 4.120 0.349 -3.888 322 HG11 VAL 48 1HG1 VAL 48 4.211 2.267 -1.742 323 HG12 VAL 48 2HG1 VAL 48 4.109 3.122 -3.300 324 HG13 VAL 48 3HG1 VAL 48 2.884 1.903 -2.873 325 HG21 VAL 48 1HG2 VAL 48 5.315 1.275 -5.528 326 HG22 VAL 48 2HG2 VAL 48 5.570 2.752 -4.567 327 HG23 VAL 48 3HG2 VAL 48 6.696 1.382 -4.411 328 H GLN 49 H GLN 49 4.751 1.128 -0.100 329 HA GLN 49 HA GLN 49 3.289 -1.358 0.255 330 HB2 GLN 49 1HB GLN 49 5.382 -1.598 1.527 331 HB3 GLN 49 2HB GLN 49 5.119 -0.057 2.318 332 HG2 GLN 49 1HG GLN 49 2.747 -1.304 2.913 333 HG3 GLN 49 2HG GLN 49 3.806 -2.697 2.819 334 HE21 GLN 49 1HE2 GLN 49 3.316 -2.893 5.090 335 HE22 GLN 49 2HE2 GLN 49 4.230 -2.009 6.266 336 H GLY 50 H GLY 50 1.190 -1.021 0.903 337 HA2 GLY 50 1HA GLY 50 0.521 1.703 1.845 338 HA3 GLY 50 2HA GLY 50 -0.514 0.702 0.847 339 H SER 51 H SER 51 -0.117 1.809 3.947 340 HA SER 51 HA SER 51 -1.408 -0.580 5.011 341 HB2 SER 51 1HB SER 51 0.959 -0.160 5.878 342 HB3 SER 51 2HB SER 51 0.365 1.322 6.601 343 HG SER 51 HG SER 51 -1.291 -0.780 7.263 344 H VAL 52 H VAL 52 -3.204 -0.204 6.439 345 HA VAL 52 HA VAL 52 -3.999 2.610 6.679 346 HB VAL 52 HB VAL 52 -5.299 0.427 5.255 347 HG11 VAL 52 1HG1 VAL 52 -7.566 0.790 6.016 348 HG12 VAL 52 2HG1 VAL 52 -6.563 0.299 7.402 349 HG13 VAL 52 3HG1 VAL 52 -7.020 2.007 7.194 350 HG21 VAL 52 1HG2 VAL 52 -4.713 2.947 4.655 351 HG22 VAL 52 2HG2 VAL 52 -6.124 2.125 3.948 352 HG23 VAL 52 3HG2 VAL 52 -6.337 3.235 5.323 353 H ALA 53 H ALA 53 -5.460 3.028 8.519 354 HA ALA 53 HA ALA 53 -5.379 0.898 10.531 355 HB1 ALA 53 1HB ALA 53 -4.420 3.766 10.776 356 HB2 ALA 53 2HB ALA 53 -4.878 2.793 12.194 357 HB3 ALA 53 3HB ALA 53 -3.536 2.267 11.150 358 H ASN 54 H ASN 54 -7.482 0.412 10.914 359 HA ASN 54 HA ASN 54 -9.337 2.659 10.866 360 HB2 ASN 54 1HB ASN 54 -10.870 0.302 10.832 361 HB3 ASN 54 2HB ASN 54 -10.512 1.306 9.441 362 HD21 ASN 54 1HD2 ASN 54 -9.924 0.128 7.797 363 HD22 ASN 54 2HD2 ASN 54 -8.852 -1.233 7.804 364 H ARG 55 H ARG 55 -11.059 2.614 12.576 365 HA ARG 55 HA ARG 55 -10.124 2.205 15.059 366 HB2 ARG 55 1HB ARG 55 -12.863 2.440 13.848 367 HB3 ARG 55 2HB ARG 55 -12.805 1.862 15.501 368 HG2 ARG 55 1HG ARG 55 -11.534 3.849 16.209 369 HG3 ARG 55 2HG ARG 55 -11.399 4.401 14.552 370 HD2 ARG 55 1HD ARG 55 -13.791 4.807 14.394 371 HD3 ARG 55 2HD ARG 55 -14.101 3.967 15.901 372 HE ARG 55 HE ARG 55 -12.318 6.002 16.599 373 HH11 ARG 55 2HH2 ARG 55 -15.483 5.861 15.067 374 HH12 ARG 55 1HH2 ARG 55 -15.975 7.417 15.647 375 HH21 ARG 55 2HH1 ARG 55 -12.967 8.055 17.365 376 HH22 ARG 55 1HH1 ARG 55 -14.534 8.673 16.963 377 H THR 56 H THR 56 -11.281 -0.178 12.771 378 HA THR 56 HA THR 56 -11.896 -2.168 14.771 379 HB THR 56 HB THR 56 -12.364 -3.543 12.753 380 HG1 THR 56 1HG THR 56 -10.488 -2.609 11.570 381 HG21 THR 56 1HG2 THR 56 -14.286 -2.221 12.930 382 HG22 THR 56 2HG2 THR 56 -13.362 -0.700 12.879 383 HG23 THR 56 3HG2 THR 56 -13.666 -1.607 11.378 384 H GLY 57 H GLY 57 -9.140 -1.193 12.744 385 HA2 GLY 57 1HA GLY 57 -7.233 -2.400 14.332 386 HA3 GLY 57 2HA GLY 57 -7.653 -3.592 13.118 387 H SER 58 H SER 58 -5.858 -3.563 11.774 388 HA SER 58 HA SER 58 -5.558 -1.161 10.228 389 HB2 SER 58 1HB SER 58 -3.062 -1.161 10.506 390 HB3 SER 58 2HB SER 58 -3.924 -0.734 11.970 391 HG SER 58 HG SER 58 -3.734 -3.235 12.365 392 H VAL 59 H VAL 59 -4.383 -1.580 8.175 393 HA VAL 59 HA VAL 59 -4.055 -4.445 7.629 394 HB VAL 59 HB VAL 59 -4.949 -3.779 5.296 395 HG11 VAL 59 1HG1 VAL 59 -6.251 -4.660 7.733 396 HG12 VAL 59 2HG1 VAL 59 -7.392 -3.786 6.683 397 HG13 VAL 59 3HG1 VAL 59 -6.502 -5.193 6.054 398 HG21 VAL 59 1HG2 VAL 59 -6.784 -2.009 5.521 399 HG22 VAL 59 2HG2 VAL 59 -5.946 -1.487 7.002 400 HG23 VAL 59 3HG2 VAL 59 -5.105 -1.424 5.435 401 H GLU 60 H GLU 60 -2.694 -4.800 5.597 402 HA GLU 60 HA GLU 60 -0.999 -2.576 4.955 403 HB2 GLU 60 1HB GLU 60 -0.063 -4.961 6.554 404 HB3 GLU 60 2HB GLU 60 1.041 -4.230 5.405 405 HG2 GLU 60 1HG GLU 60 0.781 -2.025 6.497 406 HG3 GLU 60 2HG GLU 60 -0.425 -2.676 7.589 407 H ALA 61 H ALA 61 0.297 -2.975 3.003 408 HA ALA 61 HA ALA 61 0.112 -5.491 1.687 409 HB1 ALA 61 1HB ALA 61 -1.521 -3.173 0.576 410 HB2 ALA 61 2HB ALA 61 -1.282 -4.760 -0.194 411 HB3 ALA 61 3HB ALA 61 -2.195 -4.638 1.329 412 H GLN 62 H GLN 62 1.138 -5.296 -0.574 413 HA GLN 62 HA GLN 62 2.563 -2.911 -1.089 414 HB2 GLN 62 1HB GLN 62 4.856 -4.084 -0.927 415 HB3 GLN 62 2HB GLN 62 4.117 -3.569 0.577 416 HG2 GLN 62 1HG GLN 62 4.487 -5.718 1.261 417 HG3 GLN 62 2HG GLN 62 3.049 -6.098 0.335 418 HE21 GLN 62 1HE2 GLN 62 6.502 -6.231 0.508 419 HE22 GLN 62 2HE2 GLN 62 6.794 -7.265 -0.851 420 H THR 63 H THR 63 4.236 -3.395 -3.000 421 HA THR 63 HA THR 63 2.872 -5.302 -4.777 422 HB THR 63 HB THR 63 3.792 -3.794 -6.577 423 HG1 THR 63 1HG THR 63 5.629 -3.017 -5.348 424 HG21 THR 63 1HG2 THR 63 1.902 -2.539 -6.322 425 HG22 THR 63 2HG2 THR 63 1.781 -3.060 -4.624 426 HG23 THR 63 3HG2 THR 63 2.716 -1.605 -5.044 427 H ALA 64 H ALA 64 4.474 -6.032 -6.640 428 HA ALA 64 HA ALA 64 6.422 -7.605 -5.293 429 HB1 ALA 64 1HB ALA 64 5.707 -7.185 -8.221 430 HB2 ALA 64 2HB ALA 64 6.897 -8.379 -7.649 431 HB3 ALA 64 3HB ALA 64 5.191 -8.520 -7.162 432 H LEU 65 H LEU 65 8.626 -7.324 -5.125 433 HA LEU 65 HA LEU 65 9.753 -4.888 -5.124 434 HB2 LEU 65 1HB LEU 65 10.895 -7.622 -5.591 435 HB3 LEU 65 2HB LEU 65 11.936 -6.212 -5.608 436 HG LEU 65 HG LEU 65 12.080 -7.100 -3.432 437 HD11 LEU 65 1HD1 LEU 65 11.186 -4.524 -3.862 438 HD12 LEU 65 2HD1 LEU 65 10.106 -5.120 -2.578 439 HD13 LEU 65 3HD1 LEU 65 11.871 -5.162 -2.348 440 HD21 LEU 65 1HD2 LEU 65 9.742 -8.325 -3.842 441 HD22 LEU 65 2HD2 LEU 65 10.441 -8.099 -2.221 442 HD23 LEU 65 3HD2 LEU 65 9.173 -6.995 -2.805 443 H LYS 66 H LYS 66 11.215 -3.707 -6.553 444 HA LYS 66 HA LYS 66 11.164 -4.465 -9.340 445 HB2 LYS 66 1HB LYS 66 9.524 -2.230 -8.229 446 HB3 LYS 66 2HB LYS 66 10.361 -1.945 -9.741 447 HG2 LYS 66 1HG LYS 66 9.152 -4.584 -9.826 448 HG3 LYS 66 2HG LYS 66 7.939 -3.425 -9.319 449 HD2 LYS 66 1HD LYS 66 9.197 -2.050 -11.380 450 HD3 LYS 66 2HD LYS 66 9.304 -3.705 -11.945 451 HE2 LYS 66 1HE LYS 66 6.740 -3.817 -11.243 452 HE3 LYS 66 2HE LYS 66 6.826 -2.070 -11.338 453 HZ1 LYS 66 1HZ LYS 66 7.492 -2.212 -13.578 454 HZ2 LYS 66 2HZ LYS 66 7.711 -3.829 -13.514 455 HZ3 LYS 66 3HZ LYS 66 6.204 -3.204 -13.423 456 H LYS 67 H LYS 67 12.966 -3.704 -10.438 457 HA LYS 67 HA LYS 67 15.144 -2.916 -8.910 458 HB2 LYS 67 1HB LYS 67 16.301 -3.233 -10.815 459 HB3 LYS 67 2HB LYS 67 14.798 -3.920 -11.395 460 HG2 LYS 67 1HG LYS 67 15.510 -0.967 -11.700 461 HG3 LYS 67 2HG LYS 67 15.863 -2.169 -12.926 462 HD2 LYS 67 1HD LYS 67 13.044 -1.877 -11.834 463 HD3 LYS 67 2HD LYS 67 13.622 -0.797 -13.087 464 HE2 LYS 67 1HE LYS 67 14.153 -2.740 -14.549 465 HE3 LYS 67 2HE LYS 67 13.646 -3.847 -13.288 466 HZ1 LYS 67 1HZ LYS 67 12.029 -2.991 -15.152 467 HZ2 LYS 67 2HZ LYS 67 11.495 -3.384 -13.659 468 HZ3 LYS 67 3HZ LYS 67 11.743 -1.818 -14.052 469 H ARG 68 H ARG 68 16.094 -0.948 -8.410 470 HA ARG 68 HA ARG 68 14.391 1.210 -8.228 471 HB2 ARG 68 1HB ARG 68 16.654 0.603 -6.975 472 HB3 ARG 68 2HB ARG 68 17.412 1.534 -8.252 473 HG2 ARG 68 1HG ARG 68 16.970 3.381 -7.004 474 HG3 ARG 68 2HG ARG 68 15.294 3.185 -7.474 475 HD2 ARG 68 1HD ARG 68 14.799 1.883 -5.468 476 HD3 ARG 68 2HD ARG 68 16.498 1.770 -5.051 477 HE ARG 68 HE ARG 68 14.738 4.025 -4.529 478 HH11 ARG 68 2HH2 ARG 68 18.086 3.149 -5.169 479 HH12 ARG 68 1HH2 ARG 68 18.736 4.545 -4.375 480 HH21 ARG 68 2HH1 ARG 68 15.596 5.866 -3.481 481 HH22 ARG 68 1HH1 ARG 68 17.310 6.100 -3.409 482 H GLN 69 H GLN 69 13.909 2.898 -9.633 483 HA GLN 69 HA GLN 69 15.766 3.430 -11.772 484 HB2 GLN 69 1HB GLN 69 12.886 2.552 -12.197 485 HB3 GLN 69 2HB GLN 69 13.758 3.473 -13.407 486 HG2 GLN 69 1HG GLN 69 14.588 0.763 -12.268 487 HG3 GLN 69 2HG GLN 69 13.946 1.054 -13.873 488 HE21 GLN 69 1HE2 GLN 69 16.368 -0.203 -13.401 489 HE22 GLN 69 2HE2 GLN 69 17.673 0.769 -13.995 490 H LEU 70 H LEU 70 14.513 5.354 -13.204 491 HA LEU 70 HA LEU 70 14.155 7.416 -11.224 492 HB2 LEU 70 1HB LEU 70 14.383 7.403 -14.230 493 HB3 LEU 70 2HB LEU 70 14.031 8.855 -13.314 494 HG LEU 70 HG LEU 70 16.220 8.172 -11.988 495 HD11 LEU 70 1HD1 LEU 70 17.531 7.313 -14.372 496 HD12 LEU 70 2HD1 LEU 70 17.408 6.488 -12.800 497 HD13 LEU 70 3HD1 LEU 70 16.170 6.211 -14.049 498 HD21 LEU 70 1HD2 LEU 70 15.774 9.730 -14.467 499 HD22 LEU 70 2HD2 LEU 70 16.442 10.226 -12.893 500 HD23 LEU 70 3HD2 LEU 70 17.469 9.363 -14.064 501 H HIS 71 H HIS 71 12.197 5.249 -13.111 502 HA HIS 71 HA HIS 71 9.852 6.502 -12.024 503 HB2 HIS 71 1HB HIS 71 10.499 7.515 -14.382 504 HB3 HIS 71 2HB HIS 71 9.780 6.035 -14.984 505 HD1 HIS 71 1HD HIS 71 8.166 8.174 -15.951 506 HD2 HIS 71 2HD HIS 71 7.722 6.918 -11.974 507 HE1 HIS 71 1HE HIS 71 5.874 8.999 -15.193 508 H THR 72 H THR 72 10.073 4.440 -10.822 509 HA THR 72 HA THR 72 9.717 2.015 -12.357 510 HB THR 72 HB THR 72 9.884 2.648 -9.364 511 HG1 THR 72 1HG THR 72 12.043 2.384 -9.844 512 HG21 THR 72 1HG2 THR 72 8.714 0.445 -9.854 513 HG22 THR 72 2HG2 THR 72 10.129 -0.035 -10.822 514 HG23 THR 72 3HG2 THR 72 10.300 0.238 -9.072 515 H THR 73 H THR 73 7.814 1.432 -13.176 516 HA THR 73 HA THR 73 5.422 2.190 -11.630 517 HB THR 73 HB THR 73 4.337 1.977 -13.977 518 HG1 THR 73 1HG THR 73 5.803 1.405 -15.538 519 HG21 THR 73 1HG2 THR 73 6.408 4.040 -14.423 520 HG22 THR 73 2HG2 THR 73 4.645 4.233 -14.267 521 HG23 THR 73 3HG2 THR 73 5.665 4.163 -12.810 522 H TRP 74 H TRP 74 3.971 0.654 -11.016 523 HA TRP 74 HA TRP 74 4.837 -2.094 -11.509 524 HB2 TRP 74 1HB TRP 74 3.079 -0.825 -9.414 525 HB3 TRP 74 2HB TRP 74 3.168 -2.559 -9.645 526 HD1 TRP 74 HD TRP 74 5.305 -3.793 -8.623 527 HE1 TRP 74 1HE TRP 74 7.387 -3.111 -7.152 528 HE3 TRP 74 3HE TRP 74 4.672 1.228 -9.118 529 HZ2 TRP 74 2HZ TRP 74 8.510 -0.604 -6.378 530 HZ3 TRP 74 3HZ TRP 74 6.305 2.723 -7.973 531 HH2 TRP 74 HH TRP 74 8.173 1.881 -6.640 532 H GLU 75 H GLU 75 3.046 -3.714 -11.937 533 HA GLU 75 HA GLU 75 1.322 -2.586 -13.934 534 HB2 GLU 75 1HB GLU 75 2.742 -4.903 -13.855 535 HB3 GLU 75 2HB GLU 75 1.207 -5.503 -13.261 536 HG2 GLU 75 1HG GLU 75 0.063 -4.472 -15.260 537 HG3 GLU 75 2HG GLU 75 1.626 -3.959 -15.864 538 H GLU 76 H GLU 76 1.200 -3.541 -10.591 539 HA GLU 76 HA GLU 76 -1.700 -3.305 -10.723 540 HB2 GLU 76 1HB GLU 76 -2.008 -5.069 -9.136 541 HB3 GLU 76 2HB GLU 76 -0.895 -5.698 -10.336 542 HG2 GLU 76 1HG GLU 76 1.034 -5.119 -8.846 543 HG3 GLU 76 2HG GLU 76 -0.081 -4.496 -7.646 544 H GLY 77 H GLY 77 -2.602 -2.805 -8.383 545 HA2 GLY 77 1HA GLY 77 -0.740 -0.899 -7.094 546 HA3 GLY 77 2HA GLY 77 -2.445 -0.583 -7.345 547 H LEU 78 H LEU 78 -2.021 -0.257 -4.835 548 HA LEU 78 HA LEU 78 -2.163 -2.816 -3.447 549 HB2 LEU 78 1HB LEU 78 -2.015 -0.063 -2.233 550 HB3 LEU 78 2HB LEU 78 -1.685 -1.604 -1.466 551 HG LEU 78 HG LEU 78 -0.019 -0.602 -3.775 552 HD11 LEU 78 1HD1 LEU 78 1.398 -0.185 -1.367 553 HD12 LEU 78 2HD1 LEU 78 0.829 1.030 -2.538 554 HD13 LEU 78 3HD1 LEU 78 -0.200 0.572 -1.160 555 HD21 LEU 78 1HD2 LEU 78 0.574 -2.557 -1.536 556 HD22 LEU 78 2HD2 LEU 78 0.165 -2.980 -3.216 557 HD23 LEU 78 3HD2 LEU 78 1.673 -2.103 -2.861 558 H VAL 79 H VAL 79 -3.808 -2.902 -1.573 559 HA VAL 79 HA VAL 79 -6.155 -1.316 -1.882 560 HB VAL 79 HB VAL 79 -6.976 -2.524 -3.583 561 HG11 VAL 79 1HG1 VAL 79 -4.923 -3.729 -4.050 562 HG12 VAL 79 2HG1 VAL 79 -5.243 -4.863 -2.716 563 HG13 VAL 79 3HG1 VAL 79 -6.302 -4.851 -4.147 564 HG21 VAL 79 1HG2 VAL 79 -7.446 -4.566 -1.384 565 HG22 VAL 79 2HG2 VAL 79 -8.406 -3.089 -1.642 566 HG23 VAL 79 3HG2 VAL 79 -8.397 -4.371 -2.876 567 H LEU 80 H LEU 80 -6.596 -0.954 0.227 568 HA LEU 80 HA LEU 80 -6.190 -3.211 2.061 569 HB2 LEU 80 1HB LEU 80 -5.955 -0.232 2.430 570 HB3 LEU 80 2HB LEU 80 -6.143 -1.321 3.790 571 HG LEU 80 HG LEU 80 -3.863 -1.081 3.725 572 HD11 LEU 80 1HD1 LEU 80 -4.684 -3.522 3.337 573 HD12 LEU 80 2HD1 LEU 80 -3.924 -3.333 1.739 574 HD13 LEU 80 3HD1 LEU 80 -2.949 -3.142 3.216 575 HD21 LEU 80 1HD2 LEU 80 -4.266 -0.013 1.216 576 HD22 LEU 80 2HD2 LEU 80 -2.699 -0.200 2.038 577 HD23 LEU 80 3HD2 LEU 80 -3.252 -1.438 0.886 578 HA PRO 81 HA PRO 81 -10.466 -3.173 2.690 579 HB2 PRO 81 1HB PRO 81 -10.623 -4.638 4.992 580 HB3 PRO 81 2HB PRO 81 -10.443 -5.361 3.406 581 HG2 PRO 81 1HG PRO 81 -8.419 -5.041 5.537 582 HG3 PRO 81 2HG PRO 81 -8.392 -6.111 4.149 583 HD2 PRO 81 1HD PRO 81 -6.935 -3.659 4.455 584 HD3 PRO 81 2HD PRO 81 -6.999 -4.669 3.024 585 H LEU 82 H LEU 82 -11.807 -1.574 3.216 586 HA LEU 82 HA LEU 82 -11.643 -0.605 5.927 587 HB2 LEU 82 1HB LEU 82 -9.956 0.769 5.017 588 HB3 LEU 82 2HB LEU 82 -10.871 1.078 3.555 589 HG LEU 82 HG LEU 82 -10.680 2.933 5.344 590 HD11 LEU 82 1HD1 LEU 82 -12.978 3.743 4.824 591 HD12 LEU 82 2HD1 LEU 82 -12.066 3.187 3.399 592 HD13 LEU 82 3HD1 LEU 82 -13.332 2.154 4.105 593 HD21 LEU 82 1HD2 LEU 82 -11.748 2.787 7.311 594 HD22 LEU 82 2HD2 LEU 82 -13.146 1.937 6.611 595 HD23 LEU 82 3HD2 LEU 82 -11.672 1.031 7.029 596 H ALA 83 H ALA 83 -13.632 0.117 6.651 597 HA ALA 83 HA ALA 83 -15.813 -0.302 4.792 598 HB1 ALA 83 1HB ALA 83 -15.997 0.471 7.717 599 HB2 ALA 83 2HB ALA 83 -17.171 -0.431 6.729 600 HB3 ALA 83 3HB ALA 83 -15.637 -1.196 7.208 601 H GLU 84 H GLU 84 -17.399 1.292 4.276 602 HA GLU 84 HA GLU 84 -16.336 3.831 3.913 603 HB2 GLU 84 1HB GLU 84 -18.207 2.607 2.601 604 HB3 GLU 84 2HB GLU 84 -19.300 3.160 3.854 605 HG2 GLU 84 1HG GLU 84 -17.993 5.510 3.284 606 HG3 GLU 84 2HG GLU 84 -17.912 4.725 1.719 607 H GLU 85 H GLU 85 -17.787 2.328 6.665 608 HA GLU 85 HA GLU 85 -18.759 4.810 7.735 609 HB2 GLU 85 1HB GLU 85 -19.472 3.420 9.662 610 HB3 GLU 85 2HB GLU 85 -20.047 2.758 8.144 611 HG2 GLU 85 1HG GLU 85 -18.522 0.958 8.185 612 HG3 GLU 85 2HG GLU 85 -17.390 1.801 9.224 613 H GLU 86 H GLU 86 -15.749 3.454 7.326 614 HA GLU 86 HA GLU 86 -14.814 4.666 9.810 615 HB2 GLU 86 1HB GLU 86 -13.611 2.280 8.338 616 HB3 GLU 86 2HB GLU 86 -12.916 3.037 9.758 617 HG2 GLU 86 1HG GLU 86 -15.642 2.508 10.418 618 HG3 GLU 86 2HG GLU 86 -15.065 1.072 9.597 619 H LEU 87 H LEU 87 -15.045 4.989 6.494 620 HA LEU 87 HA LEU 87 -12.607 5.524 5.482 621 HB2 LEU 87 1HB LEU 87 -15.324 6.667 5.081 622 HB3 LEU 87 2HB LEU 87 -13.976 7.522 4.358 623 HG LEU 87 HG LEU 87 -14.511 4.577 3.902 624 HD11 LEU 87 1HD1 LEU 87 -15.918 4.997 2.188 625 HD12 LEU 87 2HD1 LEU 87 -16.246 6.483 3.112 626 HD13 LEU 87 3HD1 LEU 87 -15.108 6.519 1.744 627 HD21 LEU 87 1HD2 LEU 87 -12.189 5.372 3.525 628 HD22 LEU 87 2HD2 LEU 87 -12.985 4.777 2.048 629 HD23 LEU 87 3HD2 LEU 87 -12.812 6.528 2.324 630 HA PRO 88 HA PRO 88 -12.597 9.731 7.638 631 HB2 PRO 88 1HB PRO 88 -14.451 10.288 9.567 632 HB3 PRO 88 2HB PRO 88 -14.627 10.788 7.897 633 HG2 PRO 88 1HG PRO 88 -16.008 8.605 9.333 634 HG3 PRO 88 2HG PRO 88 -16.458 9.387 7.831 635 HD2 PRO 88 1HD PRO 88 -15.245 6.805 8.124 636 HD3 PRO 88 2HD PRO 88 -15.588 7.636 6.621 637 H THR 89 H THR 89 -13.274 6.859 9.358 638 HA THR 89 HA THR 89 -11.470 7.753 11.499 639 HB THR 89 HB THR 89 -12.649 6.248 12.898 640 HG1 THR 89 1HG THR 89 -13.327 4.299 12.007 641 HG21 THR 89 1HG2 THR 89 -14.257 7.932 11.362 642 HG22 THR 89 2HG2 THR 89 -14.987 6.336 11.066 643 HG23 THR 89 3HG2 THR 89 -14.835 6.950 12.730 644 H ALA 90 H ALA 90 -10.555 7.062 8.778 645 HA ALA 90 HA ALA 90 -8.648 5.052 9.625 646 HB1 ALA 90 1HB ALA 90 -10.194 4.702 7.033 647 HB2 ALA 90 2HB ALA 90 -9.044 3.571 7.786 648 HB3 ALA 90 3HB ALA 90 -10.628 3.864 8.542 649 H THR 91 H THR 91 -6.696 5.091 8.300 650 HA THR 91 HA THR 91 -6.565 7.281 6.368 651 HB THR 91 HB THR 91 -4.826 6.972 8.872 652 HG1 THR 91 1HG THR 91 -6.921 8.054 9.090 653 HG21 THR 91 1HG2 THR 91 -4.652 8.873 6.478 654 HG22 THR 91 2HG2 THR 91 -3.862 9.188 8.042 655 HG23 THR 91 3HG2 THR 91 -3.377 7.780 7.067 656 H LEU 92 H LEU 92 -4.514 7.223 5.085 657 HA LEU 92 HA LEU 92 -3.491 4.475 4.956 658 HB2 LEU 92 1HB LEU 92 -5.098 4.688 3.207 659 HB3 LEU 92 2HB LEU 92 -4.447 6.235 2.702 660 HG LEU 92 HG LEU 92 -3.912 4.182 1.274 661 HD11 LEU 92 1HD1 LEU 92 -1.763 5.037 0.635 662 HD12 LEU 92 2HD1 LEU 92 -2.801 6.406 1.102 663 HD13 LEU 92 3HD1 LEU 92 -1.547 5.820 2.220 664 HD21 LEU 92 1HD2 LEU 92 -1.837 3.670 3.418 665 HD22 LEU 92 2HD2 LEU 92 -3.333 2.725 3.228 666 HD23 LEU 92 3HD2 LEU 92 -2.120 2.742 1.925 667 H THR 93 H THR 93 -1.317 4.364 5.145 668 HA THR 93 HA THR 93 0.201 6.789 4.446 669 HB THR 93 HB THR 93 0.417 4.951 6.883 670 HG1 THR 93 1HG THR 93 -0.010 7.791 6.278 671 HG21 THR 93 1HG2 THR 93 2.119 7.386 6.702 672 HG22 THR 93 2HG2 THR 93 2.517 5.777 7.351 673 HG23 THR 93 3HG2 THR 93 2.613 6.079 5.599 674 H LEU 94 H LEU 94 1.204 6.328 2.579 675 HA LEU 94 HA LEU 94 1.978 3.641 1.986 676 HB2 LEU 94 1HB LEU 94 2.660 6.190 0.520 677 HB3 LEU 94 2HB LEU 94 2.755 4.554 -0.100 678 HG LEU 94 HG LEU 94 0.133 5.732 0.820 679 HD11 LEU 94 1HD1 LEU 94 0.700 7.331 -0.763 680 HD12 LEU 94 2HD1 LEU 94 1.568 6.164 -1.788 681 HD13 LEU 94 3HD1 LEU 94 -0.210 6.136 -1.717 682 HD21 LEU 94 1HD2 LEU 94 -0.703 4.084 -0.942 683 HD22 LEU 94 2HD2 LEU 94 0.941 3.402 -0.920 684 HD23 LEU 94 3HD2 LEU 94 -0.042 3.404 0.564 685 H THR 95 H THR 95 4.009 2.704 2.075 686 HA THR 95 HA THR 95 6.193 4.419 3.027 687 HB THR 95 HB THR 95 6.314 1.790 4.249 688 HG1 THR 95 1HG THR 95 4.204 1.656 4.972 689 HG21 THR 95 1HG2 THR 95 6.185 3.089 6.355 690 HG22 THR 95 2HG2 THR 95 7.277 3.914 5.217 691 HG23 THR 95 3HG2 THR 95 5.621 4.519 5.458 692 H LEU 96 H LEU 96 7.989 4.235 1.843 693 HA LEU 96 HA LEU 96 8.090 1.966 0.000 694 HB2 LEU 96 1HB LEU 96 8.524 4.750 -0.278 695 HB3 LEU 96 2HB LEU 96 10.079 3.971 -0.494 696 HG LEU 96 HG LEU 96 7.665 2.958 -1.979 697 HD11 LEU 96 1HD1 LEU 96 7.830 5.439 -2.300 698 HD12 LEU 96 2HD1 LEU 96 9.449 5.183 -2.993 699 HD13 LEU 96 3HD1 LEU 96 8.020 4.478 -3.786 700 HD21 LEU 96 1HD2 LEU 96 9.393 2.319 -3.644 701 HD22 LEU 96 2HD2 LEU 96 10.644 2.924 -2.531 702 HD23 LEU 96 3HD2 LEU 96 9.617 1.550 -2.054 703 H ARG 97 H ARG 97 9.005 0.272 1.116 704 HA ARG 97 HA ARG 97 11.352 0.887 2.682 705 HB2 ARG 97 1HB ARG 97 9.549 -1.558 2.441 706 HB3 ARG 97 2HB ARG 97 11.095 -1.662 3.259 707 HG2 ARG 97 1HG ARG 97 10.022 -0.933 5.125 708 HG3 ARG 97 2HG ARG 97 9.976 0.647 4.370 709 HD2 ARG 97 1HD ARG 97 7.757 0.274 3.481 710 HD3 ARG 97 2HD ARG 97 7.826 -1.443 3.825 711 HE ARG 97 HE ARG 97 7.221 0.700 5.733 712 HH11 ARG 97 2HH2 ARG 97 8.315 -2.625 5.376 713 HH12 ARG 97 1HH2 ARG 97 7.847 -3.086 6.979 714 HH21 ARG 97 2HH1 ARG 97 6.604 0.094 7.848 715 HH22 ARG 97 1HH1 ARG 97 6.867 -1.529 8.394 716 H THR 98 H THR 98 13.374 -0.356 2.367 717 HA THR 98 HA THR 98 13.668 -1.204 -0.430 718 HB THR 98 HB THR 98 16.145 -0.776 0.155 719 HG1 THR 98 1HG THR 98 15.631 -0.956 2.515 720 HG21 THR 98 1HG2 THR 98 15.918 1.427 -0.471 721 HG22 THR 98 2HG2 THR 98 14.178 1.067 -0.576 722 HG23 THR 98 3HG2 THR 98 14.850 1.789 0.906 723 H CYS 99 H CYS 99 14.110 -3.259 -0.981 724 HA CYS 99 HA CYS 99 13.681 -5.316 0.723 725 HB2 CYS 99 1HB CYS 99 13.721 -5.583 -1.700 726 HB3 CYS 99 2HB CYS 99 15.447 -5.281 -1.745 727 HG CYS 99 HG CYS 99 16.026 -7.275 -0.026 728 H ASP 100 H ASP 100 14.706 -5.393 2.731 729 HA ASP 100 HA ASP 100 17.621 -5.333 2.623 730 HB2 ASP 100 1HB ASP 100 17.036 -4.883 5.271 731 HB3 ASP 100 2HB ASP 100 17.357 -3.614 4.105 732 H ARG 101 H ARG 101 15.073 -6.281 5.054 733 HA ARG 101 HA ARG 101 15.265 -8.979 4.697 734 HB2 ARG 101 1HB ARG 101 17.617 -8.811 5.441 735 HB3 ARG 101 2HB ARG 101 17.137 -7.933 6.879 736 HG2 ARG 101 1HG ARG 101 16.553 -9.841 7.990 737 HG3 ARG 101 2HG ARG 101 15.681 -10.483 6.612 738 HD2 ARG 101 1HD ARG 101 18.710 -10.577 7.022 739 HD3 ARG 101 2HD ARG 101 17.609 -11.935 7.156 740 HE ARG 101 HE ARG 101 17.249 -10.763 4.576 741 HH11 ARG 101 2HH2 ARG 101 19.671 -12.562 6.387 742 HH12 ARG 101 1HH2 ARG 101 20.378 -13.278 4.977 743 HH21 ARG 101 2HH1 ARG 101 18.181 -11.708 2.716 744 HH22 ARG 101 1HH1 ARG 101 19.524 -12.789 2.875 745 H PHE 102 H PHE 102 14.953 -6.211 6.945 746 HA PHE 102 HA PHE 102 12.675 -7.597 8.173 747 HB2 PHE 102 1HB PHE 102 14.597 -5.523 9.384 748 HB3 PHE 102 2HB PHE 102 13.326 -6.358 10.255 749 HD1 PHE 102 1HD PHE 102 13.530 -9.041 10.067 750 HD2 PHE 102 2HD PHE 102 16.742 -6.296 9.683 751 HE1 PHE 102 1HE PHE 102 15.151 -10.851 10.697 752 HE2 PHE 102 2HE PHE 102 18.364 -8.105 10.313 753 HZ PHE 102 HZ PHE 102 17.549 -10.361 10.813 754 H SER 103 H SER 103 14.183 -4.469 7.192 755 HA SER 103 HA SER 103 13.341 -2.519 6.732 756 HB2 SER 103 1HB SER 103 11.460 -2.435 5.244 757 HB3 SER 103 2HB SER 103 12.263 -3.961 4.933 758 HG SER 103 HG SER 103 9.823 -3.959 5.200 759 H ARG 104 H ARG 104 13.118 -3.208 9.462 760 HA ARG 104 HA ARG 104 10.444 -2.398 10.194 761 HB2 ARG 104 1HB ARG 104 12.804 -3.483 11.802 762 HB3 ARG 104 2HB ARG 104 11.334 -2.914 12.567 763 HG2 ARG 104 1HG ARG 104 10.088 -4.554 10.950 764 HG3 ARG 104 2HG ARG 104 11.664 -5.268 10.670 765 HD2 ARG 104 1HD ARG 104 11.414 -6.480 12.573 766 HD3 ARG 104 2HD ARG 104 11.461 -4.992 13.498 767 HE ARG 104 HE ARG 104 8.832 -5.466 12.333 768 HH11 ARG 104 2HH2 ARG 104 10.931 -6.290 15.034 769 HH12 ARG 104 1HH2 ARG 104 9.622 -6.695 16.094 770 HH21 ARG 104 2HH1 ARG 104 7.104 -5.999 13.730 771 HH22 ARG 104 1HH1 ARG 104 7.431 -6.528 15.347 772 H HIS 105 H HIS 105 9.993 -0.351 11.029 773 HA HIS 105 HA HIS 105 10.281 1.738 11.630 774 HB2 HIS 105 1HB HIS 105 12.713 0.485 12.865 775 HB3 HIS 105 2HB HIS 105 12.537 2.228 12.903 776 HD1 HIS 105 1HD HIS 105 12.485 1.454 15.611 777 HD2 HIS 105 2HD HIS 105 9.054 0.818 13.283 778 HE1 HIS 105 1HE HIS 105 10.550 1.176 17.251 779 H SER 106 H SER 106 10.886 3.658 10.617 780 HA SER 106 HA SER 106 11.785 4.963 9.136 781 HB2 SER 106 1HB SER 106 14.179 3.159 9.613 782 HB3 SER 106 2HB SER 106 14.259 4.456 8.437 783 HG SER 106 HG SER 106 13.864 5.994 10.074 784 H VAL 107 H VAL 107 11.566 5.167 6.888 785 HA VAL 107 HA VAL 107 11.807 2.696 5.333 786 HB VAL 107 HB VAL 107 9.746 3.113 4.220 787 HG11 VAL 107 1HG1 VAL 107 8.624 3.605 6.879 788 HG12 VAL 107 2HG1 VAL 107 8.506 2.170 5.833 789 HG13 VAL 107 3HG1 VAL 107 9.921 2.387 6.891 790 HG21 VAL 107 1HG2 VAL 107 10.134 5.758 4.736 791 HG22 VAL 107 2HG2 VAL 107 8.596 5.059 4.174 792 HG23 VAL 107 3HG2 VAL 107 8.850 5.374 5.908 793 H ALA 108 H ALA 108 11.811 3.261 2.886 794 HA ALA 108 HA ALA 108 13.904 5.086 2.465 795 HB1 ALA 108 1HB ALA 108 13.064 2.955 1.145 796 HB2 ALA 108 2HB ALA 108 12.075 4.145 0.264 797 HB3 ALA 108 3HB ALA 108 13.849 4.296 0.277 798 H GLY 109 H GLY 109 10.447 5.447 2.752 799 HA2 GLY 109 1HA GLY 109 10.486 8.216 2.736 800 HA3 GLY 109 2HA GLY 109 10.113 7.728 1.095 801 H GLU 110 H GLU 110 8.571 8.867 3.648 802 HA GLU 110 HA GLU 110 6.416 6.910 3.528 803 HB2 GLU 110 1HB GLU 110 7.512 8.632 5.678 804 HB3 GLU 110 2HB GLU 110 5.762 8.650 5.589 805 HG2 GLU 110 1HG GLU 110 5.560 6.431 6.202 806 HG3 GLU 110 2HG GLU 110 7.010 5.947 5.344 807 H LEU 111 H LEU 111 4.374 7.517 2.781 808 HA LEU 111 HA LEU 111 4.074 10.349 2.073 809 HB2 LEU 111 1HB LEU 111 4.639 8.627 0.191 810 HB3 LEU 111 2HB LEU 111 2.958 8.162 0.358 811 HG LEU 111 HG LEU 111 2.615 9.717 -1.221 812 HD11 LEU 111 1HD1 LEU 111 1.660 10.676 0.913 813 HD12 LEU 111 2HD1 LEU 111 3.071 11.760 0.959 814 HD13 LEU 111 3HD1 LEU 111 1.935 11.836 -0.409 815 HD21 LEU 111 1HD2 LEU 111 5.374 10.440 -0.587 816 HD22 LEU 111 2HD2 LEU 111 4.523 10.401 -2.150 817 HD23 LEU 111 3HD2 LEU 111 4.388 11.831 -1.099 818 H ARG 112 H ARG 112 2.607 11.097 3.523 819 HA ARG 112 HA ARG 112 0.661 9.347 4.584 820 HB2 ARG 112 1HB ARG 112 1.483 11.092 6.034 821 HB3 ARG 112 2HB ARG 112 1.198 12.336 4.833 822 HG2 ARG 112 1HG ARG 112 -0.604 12.581 6.374 823 HG3 ARG 112 2HG ARG 112 -1.313 11.744 5.007 824 HD2 ARG 112 1HD ARG 112 -1.589 9.761 6.178 825 HD3 ARG 112 2HD ARG 112 -0.123 9.978 7.113 826 HE ARG 112 HE ARG 112 -2.231 11.914 7.769 827 HH11 ARG 112 2HH2 ARG 112 -0.895 8.736 8.475 828 HH12 ARG 112 1HH2 ARG 112 -1.589 8.655 10.060 829 HH21 ARG 112 2HH1 ARG 112 -3.147 11.808 9.860 830 HH22 ARG 112 1HH1 ARG 112 -2.879 10.414 10.853 831 H LEU 113 H LEU 113 -1.652 9.418 4.244 832 HA LEU 113 HA LEU 113 -2.621 11.216 2.183 833 HB2 LEU 113 1HB LEU 113 -2.844 8.213 1.938 834 HB3 LEU 113 2HB LEU 113 -3.628 9.389 0.902 835 HG LEU 113 HG LEU 113 -0.629 9.039 1.179 836 HD11 LEU 113 1HD1 LEU 113 -1.230 7.129 0.047 837 HD12 LEU 113 2HD1 LEU 113 -2.639 7.892 -0.726 838 HD13 LEU 113 3HD1 LEU 113 -0.997 8.270 -1.299 839 HD21 LEU 113 1HD2 LEU 113 -0.354 10.931 0.053 840 HD22 LEU 113 2HD2 LEU 113 -1.510 10.419 -1.200 841 HD23 LEU 113 3HD2 LEU 113 -2.092 11.251 0.262 842 H GLY 114 H GLY 114 -5.141 10.756 1.937 843 HA2 GLY 114 1HA GLY 114 -6.239 10.008 4.570 844 HA3 GLY 114 2HA GLY 114 -6.615 11.567 3.864 845 H LEU 115 H LEU 115 -8.230 8.971 4.461 846 HA LEU 115 HA LEU 115 -9.152 8.383 1.757 847 HB2 LEU 115 1HB LEU 115 -10.173 7.056 4.239 848 HB3 LEU 115 2HB LEU 115 -10.085 6.440 2.601 849 HG LEU 115 HG LEU 115 -7.796 6.796 4.549 850 HD11 LEU 115 1HD1 LEU 115 -7.610 4.262 3.968 851 HD12 LEU 115 2HD1 LEU 115 -8.832 4.818 5.137 852 HD13 LEU 115 3HD1 LEU 115 -9.308 4.440 3.464 853 HD21 LEU 115 1HD2 LEU 115 -6.501 7.160 2.763 854 HD22 LEU 115 2HD2 LEU 115 -6.750 5.434 2.405 855 HD23 LEU 115 3HD2 LEU 115 -7.771 6.663 1.619 856 H ASP 116 H ASP 116 -10.089 9.931 4.832 857 HA ASP 116 HA ASP 116 -12.719 10.118 4.668 858 HB2 ASP 116 1HB ASP 116 -12.410 12.554 5.517 859 HB3 ASP 116 2HB ASP 116 -11.678 11.267 6.455 860 H GLY 117 H GLY 117 -10.315 11.561 2.491 861 HA2 GLY 117 1HA GLY 117 -10.879 12.140 0.280 862 HA3 GLY 117 2HA GLY 117 -12.490 12.593 0.799 863 H THR 118 H THR 118 -9.486 13.482 2.552 864 HA THR 118 HA THR 118 -10.043 16.287 1.842 865 HB THR 118 HB THR 118 -9.075 14.891 4.371 866 HG1 THR 118 1HG THR 118 -11.352 15.358 4.067 867 HG21 THR 118 1HG2 THR 118 -9.058 17.908 3.861 868 HG22 THR 118 2HG2 THR 118 -8.535 17.060 5.337 869 HG23 THR 118 3HG2 THR 118 -7.579 16.918 3.842 870 H SER 119 H SER 119 -7.141 14.761 3.319 871 HA SER 119 HA SER 119 -5.310 16.266 2.169 872 HB2 SER 119 1HB SER 119 -5.252 13.279 2.722 873 HB3 SER 119 2HB SER 119 -3.822 14.127 2.168 874 HG SER 119 HG SER 119 -5.189 14.305 4.659 875 H VAL 120 H VAL 120 -6.401 13.102 0.719 876 HA VAL 120 HA VAL 120 -5.879 14.285 -1.913 877 HB VAL 120 HB VAL 120 -4.005 12.964 -1.687 878 HG11 VAL 120 1HG1 VAL 120 -5.643 10.776 -0.362 879 HG12 VAL 120 2HG1 VAL 120 -3.877 10.812 -0.583 880 HG13 VAL 120 3HG1 VAL 120 -4.661 11.981 0.507 881 HG21 VAL 120 1HG2 VAL 120 -6.136 11.155 -2.871 882 HG22 VAL 120 2HG2 VAL 120 -5.144 12.355 -3.732 883 HG23 VAL 120 3HG2 VAL 120 -4.382 10.903 -3.040 884 HA PRO 121 HA PRO 121 -9.913 12.822 -2.551 885 HB2 PRO 121 1HB PRO 121 -10.141 13.365 -5.219 886 HB3 PRO 121 2HB PRO 121 -10.390 14.570 -3.972 887 HG2 PRO 121 1HG PRO 121 -8.079 14.227 -5.782 888 HG3 PRO 121 2HG PRO 121 -8.540 15.634 -4.845 889 HD2 PRO 121 1HD PRO 121 -6.439 13.779 -4.234 890 HD3 PRO 121 2HD PRO 121 -6.977 15.119 -3.240 891 H LEU 122 H LEU 122 -11.248 11.332 -4.011 892 HA LEU 122 HA LEU 122 -9.523 9.009 -4.411 893 HB2 LEU 122 1HB LEU 122 -12.489 9.335 -3.989 894 HB3 LEU 122 2HB LEU 122 -11.766 7.822 -4.496 895 HG LEU 122 HG LEU 122 -10.999 9.275 -1.951 896 HD11 LEU 122 1HD1 LEU 122 -12.960 8.648 -1.111 897 HD12 LEU 122 2HD1 LEU 122 -13.358 7.687 -2.556 898 HD13 LEU 122 3HD1 LEU 122 -12.389 6.967 -1.248 899 HD21 LEU 122 1HD2 LEU 122 -9.226 7.861 -2.506 900 HD22 LEU 122 2HD2 LEU 122 -10.203 6.900 -1.371 901 HD23 LEU 122 3HD2 LEU 122 -10.304 6.585 -3.120 902 H GLY 123 H GLY 123 -9.797 7.681 -6.357 903 HA2 GLY 123 1HA GLY 123 -9.864 7.434 -8.588 904 HA3 GLY 123 2HA GLY 123 -11.322 8.407 -8.565 905 H ALA 124 H ALA 124 -8.498 9.937 -7.184 906 HA ALA 124 HA ALA 124 -8.015 11.333 -9.723 907 HB1 ALA 124 1HB ALA 124 -8.080 12.625 -6.970 908 HB2 ALA 124 2HB ALA 124 -7.937 13.435 -8.549 909 HB3 ALA 124 3HB ALA 124 -9.459 12.632 -8.095 910 H ALA 125 H ALA 125 -6.063 10.425 -10.290 911 HA ALA 125 HA ALA 125 -4.139 9.640 -8.388 912 HB1 ALA 125 1HB ALA 125 -4.615 9.137 -11.023 913 HB2 ALA 125 2HB ALA 125 -3.271 10.297 -11.156 914 HB3 ALA 125 3HB ALA 125 -3.065 8.800 -10.216 915 H GLN 126 H GLN 126 -2.409 10.721 -7.485 916 HA GLN 126 HA GLN 126 -2.023 13.451 -8.430 917 HB2 GLN 126 1HB GLN 126 -1.824 12.638 -5.505 918 HB3 GLN 126 2HB GLN 126 -1.818 14.262 -6.164 919 HG2 GLN 126 1HG GLN 126 -4.199 12.479 -6.716 920 HG3 GLN 126 2HG GLN 126 -4.047 13.214 -5.133 921 HE21 GLN 126 1HE2 GLN 126 -6.153 14.063 -6.139 922 HE22 GLN 126 2HE2 GLN 126 -6.070 15.608 -6.918 923 H TRP 127 H TRP 127 0.184 14.302 -7.217 924 HA TRP 127 HA TRP 127 2.134 12.119 -7.487 925 HB2 TRP 127 1HB TRP 127 2.024 14.769 -8.835 926 HB3 TRP 127 2HB TRP 127 3.592 14.206 -8.293 927 HD1 TRP 127 HD TRP 127 1.160 13.753 -11.113 928 HE1 TRP 127 1HE TRP 127 1.930 11.912 -12.840 929 HE3 TRP 127 3HE TRP 127 4.864 11.829 -8.209 930 HZ2 TRP 127 2HZ TRP 127 3.956 9.903 -12.799 931 HZ3 TRP 127 3HZ TRP 127 6.191 9.929 -9.127 932 HH2 TRP 127 HH TRP 127 5.787 8.968 -11.338 933 H GLY 128 H GLY 128 1.929 11.927 -5.122 934 HA2 GLY 128 1HA GLY 128 2.486 14.210 -3.466 935 HA3 GLY 128 2HA GLY 128 2.297 12.540 -2.968 936 H GLU 129 H GLU 129 4.298 14.060 -1.788 937 HA GLU 129 HA GLU 129 6.676 12.976 -3.087 938 HB2 GLU 129 1HB GLU 129 6.905 15.334 -3.256 939 HB3 GLU 129 2HB GLU 129 6.233 15.613 -1.662 940 HG2 GLU 129 1HG GLU 129 8.253 14.458 -0.659 941 HG3 GLU 129 2HG GLU 129 8.934 14.320 -2.268 942 H LEU 130 H LEU 130 8.061 11.724 -1.821 943 HA LEU 130 HA LEU 130 7.005 10.719 0.595 944 HB2 LEU 130 1HB LEU 130 9.739 10.396 -0.652 945 HB3 LEU 130 2HB LEU 130 9.111 9.449 0.682 946 HG LEU 130 HG LEU 130 7.825 9.534 -2.058 947 HD11 LEU 130 1HD1 LEU 130 9.096 7.024 -1.478 948 HD12 LEU 130 2HD1 LEU 130 9.345 8.129 -2.851 949 HD13 LEU 130 3HD1 LEU 130 10.287 8.342 -1.355 950 HD21 LEU 130 1HD2 LEU 130 7.271 7.132 -0.669 951 HD22 LEU 130 2HD2 LEU 130 6.994 8.469 0.473 952 HD23 LEU 130 3HD2 LEU 130 6.150 8.448 -1.095 953 H LYS 131 H LYS 131 7.320 11.318 2.693 954 HA LYS 131 HA LYS 131 8.587 13.815 3.164 955 HB2 LYS 131 1HB LYS 131 7.435 11.761 5.075 956 HB3 LYS 131 2HB LYS 131 7.943 13.377 5.520 957 HG2 LYS 131 1HG LYS 131 5.809 12.752 3.424 958 HG3 LYS 131 2HG LYS 131 5.467 13.197 5.084 959 HD2 LYS 131 1HD LYS 131 5.718 15.402 4.615 960 HD3 LYS 131 2HD LYS 131 7.317 15.131 3.951 961 HE2 LYS 131 1HE LYS 131 6.376 14.557 1.754 962 HE3 LYS 131 2HE LYS 131 4.744 14.604 2.392 963 HZ1 LYS 131 1HZ LYS 131 4.980 16.921 2.795 964 HZ2 LYS 131 2HZ LYS 131 6.558 16.915 2.373 965 HZ3 LYS 131 3HZ LYS 131 5.410 16.638 1.246 966 H THR 132 H THR 132 9.549 10.420 3.271 967 HA THR 132 HA THR 132 11.385 9.418 4.130 968 HB THR 132 HB THR 132 13.232 10.002 2.754 969 HG1 THR 132 1HG THR 132 13.656 12.262 2.364 970 HG21 THR 132 1HG2 THR 132 12.311 10.398 0.661 971 HG22 THR 132 2HG2 THR 132 10.777 10.156 1.532 972 HG23 THR 132 3HG2 THR 132 11.381 11.804 1.234 973 H SER 133 H SER 133 13.976 10.984 4.592 974 HA SER 133 HA SER 133 13.477 12.689 6.745 975 HB2 SER 133 1HB SER 133 13.787 9.781 7.344 976 HB3 SER 133 2HB SER 133 14.770 10.853 8.321 977 HG SER 133 HG SER 133 13.014 11.638 9.317 978 H GLY 134 H GLY 134 15.779 12.717 8.153 979 HA2 GLY 134 1HA GLY 134 17.702 13.801 6.615 980 HA3 GLY 134 2HA GLY 134 18.031 12.944 8.108 981 HA PRO 135 HA PRO 135 19.590 10.623 4.342 982 HB2 PRO 135 1HB PRO 135 22.014 11.759 3.794 983 HB3 PRO 135 2HB PRO 135 20.556 12.133 2.897 984 HG2 PRO 135 1HG PRO 135 21.950 13.763 4.932 985 HG3 PRO 135 2HG PRO 135 20.770 14.270 3.739 986 HD2 PRO 135 1HD PRO 135 20.310 13.857 6.540 987 HD3 PRO 135 2HD PRO 135 19.108 14.251 5.328 988 H SER 136 H SER 136 21.994 9.550 4.092 989 HA SER 136 HA SER 136 23.380 8.178 5.042 990 HB2 SER 136 1HB SER 136 23.664 10.552 6.494 991 HB3 SER 136 2HB SER 136 23.482 9.345 7.751 992 HG SER 136 HG SER 136 25.605 9.778 5.980 993 H SER 137 H SER 137 21.819 6.432 5.033 994 HA SER 137 HA SER 137 21.374 5.365 7.582 995 HB2 SER 137 1HB SER 137 19.477 7.138 7.274 996 HB3 SER 137 2HB SER 137 18.796 6.012 6.116 997 HG SER 137 HG SER 137 17.847 5.449 8.048 998 H GLY 138 H GLY 138 22.661 3.776 6.318 999 HA2 GLY 138 1HA GLY 138 20.900 1.958 4.851 1000 HA3 GLY 138 2HA GLY 138 22.301 2.584 4.004 Start of MODEL 14 1 H1 GLY 1 H GLY 1 14.074 4.647 24.221 2 HA2 GLY 1 1HA GLY 1 16.791 4.343 23.114 3 HA3 GLY 1 2HA GLY 1 15.287 4.005 22.281 4 H SER 2 H SER 2 17.059 5.606 20.957 5 HA SER 2 HA SER 2 15.563 8.019 20.800 6 HB2 SER 2 1HB SER 2 17.723 8.112 22.526 7 HB3 SER 2 2HB SER 2 18.461 8.639 21.027 8 HG SER 2 HG SER 2 15.956 9.777 21.849 9 H SER 3 H SER 3 16.142 9.258 18.806 10 HA SER 3 HA SER 3 17.542 7.508 16.941 11 HB2 SER 3 1HB SER 3 15.048 9.113 16.759 12 HB3 SER 3 2HB SER 3 16.099 9.266 15.364 13 HG SER 3 HG SER 3 14.904 7.484 14.862 14 H GLY 4 H GLY 4 18.458 8.882 14.961 15 HA2 GLY 4 1HA GLY 4 19.241 11.579 15.543 16 HA3 GLY 4 2HA GLY 4 20.544 10.436 15.802 17 H SER 5 H SER 5 20.576 8.619 13.888 18 HA SER 5 HA SER 5 21.627 9.722 11.737 19 HB2 SER 5 1HB SER 5 21.330 7.635 10.602 20 HB3 SER 5 2HB SER 5 21.414 7.245 12.308 21 HG SER 5 HG SER 5 19.655 6.102 11.513 22 H SER 6 H SER 6 20.936 10.312 9.560 23 HA SER 6 HA SER 6 18.355 10.217 8.677 24 HB2 SER 6 1HB SER 6 18.394 12.024 10.737 25 HB3 SER 6 2HB SER 6 18.770 13.086 9.395 26 HG SER 6 HG SER 6 16.361 11.969 10.090 27 H GLY 7 H GLY 7 18.063 11.629 6.659 28 HA2 GLY 7 1HA GLY 7 20.575 12.772 5.662 29 HA3 GLY 7 2HA GLY 7 19.856 11.439 4.781 30 H SER 8 H SER 8 18.650 12.078 3.057 31 HA SER 8 HA SER 8 17.185 13.146 1.856 32 HB2 SER 8 1HB SER 8 16.055 13.343 4.353 33 HB3 SER 8 2HB SER 8 16.208 15.040 3.943 34 HG SER 8 HG SER 8 15.251 13.726 1.755 35 H TRP 9 H TRP 9 18.073 14.511 0.354 36 HA TRP 9 HA TRP 9 18.446 17.240 0.883 37 HB2 TRP 9 1HB TRP 9 20.635 15.628 1.695 38 HB3 TRP 9 2HB TRP 9 21.121 16.453 0.227 39 HD1 TRP 9 HD TRP 9 20.272 17.168 3.891 40 HE1 TRP 9 1HE TRP 9 20.875 19.647 4.564 41 HE3 TRP 9 3HE TRP 9 21.274 18.762 -0.832 42 HZ2 TRP 9 2HZ TRP 9 21.684 21.945 3.078 43 HZ3 TRP 9 3HZ TRP 9 21.964 21.138 -1.134 44 HH2 TRP 9 HH TRP 9 22.175 22.710 0.726 45 H ASN 10 H ASN 10 18.725 18.354 -1.122 46 HA ASN 10 HA ASN 10 18.649 18.642 -3.269 47 HB2 ASN 10 1HB ASN 10 20.458 16.294 -3.011 48 HB3 ASN 10 2HB ASN 10 19.688 16.397 -4.582 49 HD21 ASN 10 1HD2 ASN 10 22.107 17.577 -2.528 50 HD22 ASN 10 2HD2 ASN 10 22.712 18.876 -3.500 51 H GLN 11 H GLN 11 16.592 18.524 -4.181 52 HA GLN 11 HA GLN 11 14.704 17.748 -4.922 53 HB2 GLN 11 1HB GLN 11 16.484 15.381 -5.602 54 HB3 GLN 11 2HB GLN 11 14.787 15.397 -6.039 55 HG2 GLN 11 1HG GLN 11 15.062 17.046 -7.642 56 HG3 GLN 11 2HG GLN 11 16.313 17.874 -6.737 57 HE21 GLN 11 1HE2 GLN 11 17.324 17.996 -8.851 58 HE22 GLN 11 2HE2 GLN 11 18.318 16.694 -9.414 59 H ALA 12 H ALA 12 12.853 16.185 -4.535 60 HA ALA 12 HA ALA 12 13.225 14.820 -1.956 61 HB1 ALA 12 1HB ALA 12 11.239 16.817 -2.906 62 HB2 ALA 12 2HB ALA 12 10.564 15.427 -2.023 63 HB3 ALA 12 3HB ALA 12 11.799 16.454 -1.256 64 HA PRO 13 HA PRO 13 11.646 11.324 -3.952 65 HB2 PRO 13 1HB PRO 13 10.548 9.924 -1.877 66 HB3 PRO 13 2HB PRO 13 12.267 9.948 -2.213 67 HG2 PRO 13 1HG PRO 13 10.777 11.344 -0.076 68 HG3 PRO 13 2HG PRO 13 12.494 11.010 -0.178 69 HD2 PRO 13 1HD PRO 13 11.203 13.524 -0.669 70 HD3 PRO 13 2HD PRO 13 12.904 13.159 -0.883 71 H LYS 14 H LYS 14 10.054 10.985 -5.365 72 HA LYS 14 HA LYS 14 7.448 11.988 -4.461 73 HB2 LYS 14 1HB LYS 14 8.966 12.270 -6.957 74 HB3 LYS 14 2HB LYS 14 7.316 11.741 -7.216 75 HG2 LYS 14 1HG LYS 14 6.882 13.688 -5.340 76 HG3 LYS 14 2HG LYS 14 8.329 14.326 -6.095 77 HD2 LYS 14 1HD LYS 14 6.358 13.330 -8.065 78 HD3 LYS 14 2HD LYS 14 5.718 14.614 -7.058 79 HE2 LYS 14 1HE LYS 14 8.422 15.316 -7.845 80 HE3 LYS 14 2HE LYS 14 7.526 14.849 -9.277 81 HZ1 LYS 14 1HZ LYS 14 5.811 16.393 -7.834 82 HZ2 LYS 14 2HZ LYS 14 7.246 17.160 -7.699 83 HZ3 LYS 14 3HZ LYS 14 6.626 16.842 -9.176 84 H LEU 15 H LEU 15 5.605 10.684 -4.671 85 HA LEU 15 HA LEU 15 6.074 7.985 -5.691 86 HB2 LEU 15 1HB LEU 15 6.428 7.647 -3.408 87 HB3 LEU 15 2HB LEU 15 5.152 8.754 -2.940 88 HG LEU 15 HG LEU 15 3.447 7.179 -3.684 89 HD11 LEU 15 1HD1 LEU 15 3.787 5.321 -4.919 90 HD12 LEU 15 2HD1 LEU 15 5.258 6.189 -5.419 91 HD13 LEU 15 3HD1 LEU 15 5.345 4.951 -4.143 92 HD21 LEU 15 1HD2 LEU 15 3.922 5.323 -2.058 93 HD22 LEU 15 2HD2 LEU 15 5.540 6.028 -1.827 94 HD23 LEU 15 3HD2 LEU 15 4.090 6.969 -1.401 95 H HIS 16 H HIS 16 4.608 7.579 -7.248 96 HA HIS 16 HA HIS 16 2.246 9.244 -7.328 97 HB2 HIS 16 1HB HIS 16 3.729 8.832 -9.322 98 HB3 HIS 16 2HB HIS 16 3.192 7.164 -9.316 99 HD1 HIS 16 1HD HIS 16 1.228 6.690 -10.783 100 HD2 HIS 16 2HD HIS 16 1.342 10.698 -9.550 101 HE1 HIS 16 1HE HIS 16 -0.711 7.856 -11.962 102 H TYR 17 H TYR 17 0.135 8.523 -7.041 103 HA TYR 17 HA TYR 17 -0.398 5.706 -6.846 104 HB2 TYR 17 1HB TYR 17 -1.330 6.192 -4.434 105 HB3 TYR 17 2HB TYR 17 0.410 6.051 -4.579 106 HD1 TYR 17 2HD TYR 17 1.852 8.061 -4.457 107 HD2 TYR 17 1HD TYR 17 -2.383 8.311 -3.899 108 HE1 TYR 17 2HE TYR 17 2.117 10.369 -3.424 109 HE2 TYR 17 1HE TYR 17 -2.103 10.618 -2.867 110 HH TYR 17 HH TYR 17 0.748 11.756 -1.747 111 H CYS 18 H CYS 18 -2.704 5.248 -6.733 112 HA CYS 18 HA CYS 18 -4.326 7.631 -7.260 113 HB2 CYS 18 1HB CYS 18 -4.020 6.552 -9.382 114 HB3 CYS 18 2HB CYS 18 -4.371 4.971 -8.712 115 HG CYS 18 HG CYS 18 -6.440 5.570 -10.074 116 H LEU 19 H LEU 19 -5.354 7.804 -5.254 117 HA LEU 19 HA LEU 19 -6.126 5.469 -3.806 118 HB2 LEU 19 1HB LEU 19 -6.910 8.342 -3.323 119 HB3 LEU 19 2HB LEU 19 -6.981 7.015 -2.181 120 HG LEU 19 HG LEU 19 -5.049 7.900 -1.443 121 HD11 LEU 19 1HD1 LEU 19 -3.717 6.672 -3.852 122 HD12 LEU 19 2HD1 LEU 19 -3.154 6.737 -2.165 123 HD13 LEU 19 3HD1 LEU 19 -4.513 5.677 -2.609 124 HD21 LEU 19 1HD2 LEU 19 -5.343 9.828 -3.073 125 HD22 LEU 19 2HD2 LEU 19 -3.680 9.467 -2.550 126 HD23 LEU 19 3HD2 LEU 19 -4.239 8.947 -4.158 127 H ASP 20 H ASP 20 -7.982 4.320 -3.964 128 HA ASP 20 HA ASP 20 -10.313 5.669 -4.965 129 HB2 ASP 20 1HB ASP 20 -9.144 4.715 -6.986 130 HB3 ASP 20 2HB ASP 20 -9.227 3.123 -6.259 131 H TYR 21 H TYR 21 -12.053 4.937 -3.714 132 HA TYR 21 HA TYR 21 -11.636 2.435 -2.232 133 HB2 TYR 21 1HB TYR 21 -11.951 4.720 -1.066 134 HB3 TYR 21 2HB TYR 21 -13.523 4.840 -1.832 135 HD1 TYR 21 2HD TYR 21 -11.540 2.759 0.547 136 HD2 TYR 21 1HD TYR 21 -15.433 3.875 -0.832 137 HE1 TYR 21 2HE TYR 21 -12.595 1.520 2.500 138 HE2 TYR 21 1HE TYR 21 -16.475 2.632 1.126 139 HH TYR 21 HH TYR 21 -14.928 0.391 2.865 140 H ASP 22 H ASP 22 -12.844 0.695 -2.787 141 HA ASP 22 HA ASP 22 -15.122 1.217 -4.503 142 HB2 ASP 22 1HB ASP 22 -13.108 -0.524 -4.881 143 HB3 ASP 22 2HB ASP 22 -14.100 -1.554 -3.867 144 H CYS 23 H CYS 23 -16.614 1.832 -2.755 145 HA CYS 23 HA CYS 23 -16.991 0.721 -0.368 146 HB2 CYS 23 1HB CYS 23 -19.159 1.593 -0.363 147 HB3 CYS 23 2HB CYS 23 -18.321 2.589 -1.535 148 HG CYS 23 HG CYS 23 -19.658 2.113 -3.432 149 H GLN 24 H GLN 24 -17.936 -0.619 -3.568 150 HA GLN 24 HA GLN 24 -19.546 -2.651 -2.740 151 HB2 GLN 24 1HB GLN 24 -17.525 -2.916 -4.999 152 HB3 GLN 24 2HB GLN 24 -19.097 -3.680 -4.879 153 HG2 GLN 24 1HG GLN 24 -19.566 -0.874 -4.611 154 HG3 GLN 24 2HG GLN 24 -18.420 -1.046 -5.925 155 HE21 GLN 24 1HE2 GLN 24 -18.912 -2.582 -7.632 156 HE22 GLN 24 2HE2 GLN 24 -20.555 -2.850 -8.110 157 H LYS 25 H LYS 25 -15.939 -2.577 -3.026 158 HA LYS 25 HA LYS 25 -15.813 -5.242 -1.877 159 HB2 LYS 25 1HB LYS 25 -13.425 -3.573 -2.621 160 HB3 LYS 25 2HB LYS 25 -13.601 -5.316 -2.609 161 HG2 LYS 25 1HG LYS 25 -15.494 -4.805 -4.442 162 HG3 LYS 25 2HG LYS 25 -14.585 -3.322 -4.652 163 HD2 LYS 25 1HD LYS 25 -12.809 -4.392 -5.639 164 HD3 LYS 25 2HD LYS 25 -12.875 -5.746 -4.528 165 HE2 LYS 25 1HE LYS 25 -14.432 -6.928 -5.828 166 HE3 LYS 25 2HE LYS 25 -15.109 -5.476 -6.537 167 HZ1 LYS 25 1HZ LYS 25 -12.895 -5.231 -7.658 168 HZ2 LYS 25 2HZ LYS 25 -12.564 -6.762 -7.197 169 HZ3 LYS 25 3HZ LYS 25 -13.829 -6.462 -8.185 170 H ALA 26 H ALA 26 -15.730 -1.887 -0.955 171 HA ALA 26 HA ALA 26 -15.390 -0.872 0.981 172 HB1 ALA 26 1HB ALA 26 -16.518 -3.419 1.601 173 HB2 ALA 26 2HB ALA 26 -15.280 -3.074 2.833 174 HB3 ALA 26 3HB ALA 26 -16.604 -1.918 2.553 175 H GLU 27 H GLU 27 -13.118 -1.743 -0.653 176 HA GLU 27 HA GLU 27 -11.154 -1.695 1.481 177 HB2 GLU 27 1HB GLU 27 -10.955 -3.520 -0.956 178 HB3 GLU 27 2HB GLU 27 -9.734 -3.340 0.288 179 HG2 GLU 27 1HG GLU 27 -12.143 -3.902 1.690 180 HG3 GLU 27 2HG GLU 27 -12.155 -4.980 0.309 181 H LEU 28 H LEU 28 -9.813 0.031 1.189 182 HA LEU 28 HA LEU 28 -10.025 1.704 -1.008 183 HB2 LEU 28 1HB LEU 28 -9.217 2.267 1.283 184 HB3 LEU 28 2HB LEU 28 -7.707 1.458 0.912 185 HG LEU 28 HG LEU 28 -7.342 3.071 -0.959 186 HD11 LEU 28 1HD1 LEU 28 -9.259 4.014 -1.695 187 HD12 LEU 28 2HD1 LEU 28 -10.024 3.993 -0.088 188 HD13 LEU 28 3HD1 LEU 28 -8.837 5.257 -0.493 189 HD21 LEU 28 1HD2 LEU 28 -6.191 4.396 0.428 190 HD22 LEU 28 2HD2 LEU 28 -7.648 4.898 1.319 191 HD23 LEU 28 3HD2 LEU 28 -6.843 3.362 1.722 192 H PHE 29 H PHE 29 -8.195 2.309 -2.541 193 HA PHE 29 HA PHE 29 -6.528 0.030 -3.234 194 HB2 PHE 29 1HB PHE 29 -8.612 1.464 -4.981 195 HB3 PHE 29 2HB PHE 29 -7.342 0.479 -5.679 196 HD1 PHE 29 2HD PHE 29 -7.316 -1.967 -5.286 197 HD2 PHE 29 1HD PHE 29 -10.522 0.465 -3.938 198 HE1 PHE 29 2HE PHE 29 -8.748 -4.009 -5.008 199 HE2 PHE 29 1HE PHE 29 -11.954 -1.577 -3.661 200 HZ PHE 29 HZ PHE 29 -11.051 -3.790 -4.199 201 H VAL 30 H VAL 30 -4.573 0.616 -4.211 202 HA VAL 30 HA VAL 30 -4.265 3.484 -4.763 203 HB VAL 30 HB VAL 30 -2.208 1.701 -3.455 204 HG11 VAL 30 1HG1 VAL 30 -0.853 3.565 -3.259 205 HG12 VAL 30 2HG1 VAL 30 -1.635 3.868 -4.830 206 HG13 VAL 30 3HG1 VAL 30 -2.217 4.704 -3.370 207 HG21 VAL 30 1HG2 VAL 30 -4.554 2.837 -2.287 208 HG22 VAL 30 2HG2 VAL 30 -3.222 1.965 -1.489 209 HG23 VAL 30 3HG2 VAL 30 -3.142 3.733 -1.677 210 H THR 31 H THR 31 -4.679 2.982 -7.014 211 HA THR 31 HA THR 31 -2.742 1.196 -8.273 212 HB THR 31 HB THR 31 -4.289 1.652 -10.273 213 HG1 THR 31 1HG THR 31 -5.615 3.374 -9.867 214 HG21 THR 31 1HG2 THR 31 -5.445 0.615 -7.641 215 HG22 THR 31 2HG2 THR 31 -6.375 0.593 -9.159 216 HG23 THR 31 3HG2 THR 31 -4.866 -0.342 -9.026 217 H ARG 32 H ARG 32 -2.129 2.119 -10.636 218 HA ARG 32 HA ARG 32 -0.798 3.443 -11.703 219 HB2 ARG 32 1HB ARG 32 -2.150 5.699 -10.136 220 HB3 ARG 32 2HB ARG 32 -1.199 5.919 -11.591 221 HG2 ARG 32 1HG ARG 32 -3.471 3.948 -11.719 222 HG3 ARG 32 2HG ARG 32 -3.890 5.649 -11.651 223 HD2 ARG 32 1HD ARG 32 -2.036 5.872 -13.565 224 HD3 ARG 32 2HD ARG 32 -2.348 4.163 -13.790 225 HE ARG 32 HE ARG 32 -4.114 6.343 -14.522 226 HH11 ARG 32 2HH2 ARG 32 -4.101 2.999 -13.426 227 HH12 ARG 32 1HH2 ARG 32 -5.646 2.633 -14.117 228 HH21 ARG 32 2HH1 ARG 32 -6.153 5.860 -15.434 229 HH22 ARG 32 1HH1 ARG 32 -6.821 4.271 -15.267 230 H LEU 33 H LEU 33 0.725 2.275 -9.963 231 HA LEU 33 HA LEU 33 1.878 4.142 -8.080 232 HB2 LEU 33 1HB LEU 33 1.750 1.270 -8.444 233 HB3 LEU 33 2HB LEU 33 3.395 1.797 -8.151 234 HG LEU 33 HG LEU 33 2.684 1.395 -6.012 235 HD11 LEU 33 1HD1 LEU 33 2.852 3.378 -4.940 236 HD12 LEU 33 2HD1 LEU 33 3.183 3.974 -6.584 237 HD13 LEU 33 3HD1 LEU 33 1.552 4.135 -5.890 238 HD21 LEU 33 1HD2 LEU 33 0.568 1.039 -5.414 239 HD22 LEU 33 2HD2 LEU 33 0.062 2.671 -5.915 240 HD23 LEU 33 3HD2 LEU 33 0.145 1.358 -7.114 241 H GLU 34 H GLU 34 3.588 5.438 -8.496 242 HA GLU 34 HA GLU 34 5.564 4.570 -10.354 243 HB2 GLU 34 1HB GLU 34 3.467 6.475 -11.166 244 HB3 GLU 34 2HB GLU 34 5.077 7.137 -11.366 245 HG2 GLU 34 1HG GLU 34 5.662 5.611 -13.005 246 HG3 GLU 34 2HG GLU 34 4.734 4.311 -12.284 247 H ALA 35 H ALA 35 7.155 4.783 -8.779 248 HA ALA 35 HA ALA 35 7.202 7.063 -7.056 249 HB1 ALA 35 1HB ALA 35 9.083 4.732 -7.573 250 HB2 ALA 35 2HB ALA 35 9.409 5.999 -6.366 251 HB3 ALA 35 3HB ALA 35 7.975 4.958 -6.199 252 H VAL 36 H VAL 36 9.218 8.470 -6.897 253 HA VAL 36 HA VAL 36 10.608 8.802 -9.419 254 HB VAL 36 HB VAL 36 8.705 10.812 -8.234 255 HG11 VAL 36 1HG1 VAL 36 10.079 11.984 -10.426 256 HG12 VAL 36 2HG1 VAL 36 10.071 12.503 -8.724 257 HG13 VAL 36 3HG1 VAL 36 11.313 11.367 -9.302 258 HG21 VAL 36 1HG2 VAL 36 7.892 9.224 -9.977 259 HG22 VAL 36 2HG2 VAL 36 7.813 10.929 -10.479 260 HG23 VAL 36 3HG2 VAL 36 9.112 9.880 -11.094 261 H THR 37 H THR 37 12.282 7.918 -7.936 262 HA THR 37 HA THR 37 13.173 9.898 -5.955 263 HB THR 37 HB THR 37 14.404 7.968 -4.992 264 HG1 THR 37 1HG THR 37 14.125 5.921 -6.187 265 HG21 THR 37 1HG2 THR 37 12.318 7.668 -4.016 266 HG22 THR 37 2HG2 THR 37 11.469 7.752 -5.578 267 HG23 THR 37 3HG2 THR 37 12.276 6.245 -5.084 268 H SER 38 H SER 38 15.733 9.770 -5.710 269 HA SER 38 HA SER 38 16.845 9.814 -8.394 270 HB2 SER 38 1HB SER 38 16.405 12.134 -7.984 271 HB3 SER 38 2HB SER 38 16.947 12.031 -6.321 272 HG SER 38 HG SER 38 18.418 12.921 -8.214 273 H ASN 39 H ASN 39 18.227 8.054 -8.199 274 HA ASN 39 HA ASN 39 20.418 8.375 -6.428 275 HB2 ASN 39 1HB ASN 39 18.570 7.197 -5.039 276 HB3 ASN 39 2HB ASN 39 18.745 5.833 -6.126 277 HD21 ASN 39 1HD2 ASN 39 20.539 7.996 -3.971 278 HD22 ASN 39 2HD2 ASN 39 21.741 6.860 -3.456 279 H HIS 40 H HIS 40 22.167 6.797 -7.012 280 HA HIS 40 HA HIS 40 21.575 5.057 -9.248 281 HB2 HIS 40 1HB HIS 40 22.113 7.135 -10.361 282 HB3 HIS 40 2HB HIS 40 23.560 7.339 -9.395 283 HD1 HIS 40 1HD HIS 40 25.624 5.789 -9.956 284 HD2 HIS 40 2HD HIS 40 22.353 5.389 -12.552 285 HE1 HIS 40 1HE HIS 40 26.481 4.516 -11.994 286 H ASP 41 H ASP 41 23.624 3.703 -9.786 287 HA ASP 41 HA ASP 41 25.079 2.248 -9.106 288 HB2 ASP 41 1HB ASP 41 26.173 4.669 -8.458 289 HB3 ASP 41 2HB ASP 41 26.136 3.941 -6.864 290 H GLY 42 H GLY 42 23.825 0.606 -8.104 291 HA2 GLY 42 1HA GLY 42 24.006 -0.468 -5.817 292 HA3 GLY 42 2HA GLY 42 23.183 0.969 -5.244 293 H GLY 43 H GLY 43 22.890 -1.992 -7.212 294 HA2 GLY 43 1HA GLY 43 20.129 -1.524 -7.899 295 HA3 GLY 43 2HA GLY 43 21.083 -2.965 -8.195 296 H CYS 44 H CYS 44 18.643 -1.523 -6.239 297 HA CYS 44 HA CYS 44 18.729 -3.866 -4.492 298 HB2 CYS 44 1HB CYS 44 18.200 -1.009 -3.617 299 HB3 CYS 44 2HB CYS 44 17.883 -2.418 -2.626 300 HG CYS 44 HG CYS 44 20.238 -0.939 -2.231 301 H ASP 45 H ASP 45 16.705 -4.868 -4.272 302 HA ASP 45 HA ASP 45 14.724 -4.034 -6.092 303 HB2 ASP 45 1HB ASP 45 15.395 -6.386 -4.656 304 HB3 ASP 45 2HB ASP 45 13.811 -5.940 -4.053 305 H CYS 46 H CYS 46 13.349 -2.311 -5.610 306 HA CYS 46 HA CYS 46 12.644 -1.933 -2.797 307 HB2 CYS 46 1HB CYS 46 12.132 0.388 -3.380 308 HB3 CYS 46 2HB CYS 46 13.786 -0.016 -3.795 309 HG CYS 46 HG CYS 46 12.905 1.489 -5.689 310 H TYR 47 H TYR 47 10.319 -1.203 -2.430 311 HA TYR 47 HA TYR 47 8.459 -1.811 -4.550 312 HB2 TYR 47 1HB TYR 47 7.351 -3.547 -3.025 313 HB3 TYR 47 2HB TYR 47 8.938 -4.048 -3.574 314 HD1 TYR 47 1HD TYR 47 7.076 -2.645 -0.682 315 HD2 TYR 47 2HD TYR 47 10.717 -4.443 -2.030 316 HE1 TYR 47 1HE TYR 47 7.812 -2.979 1.729 317 HE2 TYR 47 2HE TYR 47 11.441 -4.770 0.385 318 HH TYR 47 HH TYR 47 9.455 -3.534 3.045 319 H VAL 48 H VAL 48 6.192 -1.296 -3.902 320 HA VAL 48 HA VAL 48 6.240 0.920 -2.026 321 HB VAL 48 HB VAL 48 3.936 0.026 -3.744 322 HG11 VAL 48 1HG1 VAL 48 4.664 2.877 -3.169 323 HG12 VAL 48 2HG1 VAL 48 3.067 2.133 -3.423 324 HG13 VAL 48 3HG1 VAL 48 3.920 1.904 -1.877 325 HG21 VAL 48 1HG2 VAL 48 5.910 0.145 -5.202 326 HG22 VAL 48 2HG2 VAL 48 4.773 1.472 -5.543 327 HG23 VAL 48 3HG2 VAL 48 6.255 1.788 -4.609 328 H GLN 49 H GLN 49 4.717 1.109 -0.270 329 HA GLN 49 HA GLN 49 3.393 -1.381 0.412 330 HB2 GLN 49 1HB GLN 49 5.571 -1.382 1.603 331 HB3 GLN 49 2HB GLN 49 5.208 0.185 2.300 332 HG2 GLN 49 1HG GLN 49 2.940 -1.297 2.967 333 HG3 GLN 49 2HG GLN 49 4.212 -2.498 3.075 334 HE21 GLN 49 1HE2 GLN 49 2.636 -1.371 5.192 335 HE22 GLN 49 2HE2 GLN 49 3.706 -0.598 6.315 336 H GLY 50 H GLY 50 1.324 -1.058 1.181 337 HA2 GLY 50 1HA GLY 50 0.602 1.729 1.870 338 HA3 GLY 50 2HA GLY 50 -0.434 0.627 0.985 339 H SER 51 H SER 51 0.139 1.949 4.011 340 HA SER 51 HA SER 51 -1.052 -0.382 5.301 341 HB2 SER 51 1HB SER 51 -0.058 0.609 7.444 342 HB3 SER 51 2HB SER 51 1.087 -0.077 6.309 343 HG SER 51 HG SER 51 1.050 2.425 7.299 344 H VAL 52 H VAL 52 -2.943 -0.040 6.536 345 HA VAL 52 HA VAL 52 -3.890 2.740 6.624 346 HB VAL 52 HB VAL 52 -5.041 0.375 5.362 347 HG11 VAL 52 1HG1 VAL 52 -6.339 0.327 7.473 348 HG12 VAL 52 2HG1 VAL 52 -6.847 2.007 7.179 349 HG13 VAL 52 3HG1 VAL 52 -7.347 0.717 6.059 350 HG21 VAL 52 1HG2 VAL 52 -6.090 3.202 5.237 351 HG22 VAL 52 2HG2 VAL 52 -4.565 2.747 4.439 352 HG23 VAL 52 3HG2 VAL 52 -6.086 1.945 3.976 353 H ALA 53 H ALA 53 -5.372 3.204 8.426 354 HA ALA 53 HA ALA 53 -5.314 1.203 10.552 355 HB1 ALA 53 1HB ALA 53 -4.259 4.050 10.729 356 HB2 ALA 53 2HB ALA 53 -4.645 3.050 12.150 357 HB3 ALA 53 3HB ALA 53 -3.365 2.540 11.024 358 H ASN 54 H ASN 54 -7.527 0.838 10.469 359 HA ASN 54 HA ASN 54 -9.186 3.220 10.614 360 HB2 ASN 54 1HB ASN 54 -10.358 0.455 10.283 361 HB3 ASN 54 2HB ASN 54 -10.911 1.973 9.603 362 HD21 ASN 54 1HD2 ASN 54 -8.651 -0.667 9.347 363 HD22 ASN 54 2HD2 ASN 54 -8.118 -0.387 7.723 364 H ARG 55 H ARG 55 -11.125 3.037 12.162 365 HA ARG 55 HA ARG 55 -10.327 2.504 14.685 366 HB2 ARG 55 1HB ARG 55 -12.774 3.252 13.340 367 HB3 ARG 55 2HB ARG 55 -13.179 2.036 14.535 368 HG2 ARG 55 1HG ARG 55 -11.765 3.419 16.211 369 HG3 ARG 55 2HG ARG 55 -11.755 4.689 15.003 370 HD2 ARG 55 1HD ARG 55 -13.656 5.314 16.193 371 HD3 ARG 55 2HD ARG 55 -14.401 4.274 14.996 372 HE ARG 55 HE ARG 55 -13.562 2.712 17.276 373 HH11 ARG 55 2HH2 ARG 55 -16.043 4.982 16.237 374 HH12 ARG 55 1HH2 ARG 55 -17.231 4.389 17.349 375 HH21 ARG 55 2HH1 ARG 55 -15.130 1.930 18.743 376 HH22 ARG 55 1HH1 ARG 55 -16.709 2.642 18.784 377 H THR 56 H THR 56 -11.315 0.265 12.196 378 HA THR 56 HA THR 56 -12.138 -1.820 14.009 379 HB THR 56 HB THR 56 -12.407 -3.080 11.894 380 HG1 THR 56 1HG THR 56 -10.708 -2.467 10.572 381 HG21 THR 56 1HG2 THR 56 -13.275 -0.702 10.565 382 HG22 THR 56 2HG2 THR 56 -14.283 -1.839 11.492 383 HG23 THR 56 3HG2 THR 56 -13.557 -0.429 12.301 384 H GLY 57 H GLY 57 -9.146 -0.647 12.582 385 HA2 GLY 57 1HA GLY 57 -7.402 -1.866 14.202 386 HA3 GLY 57 2HA GLY 57 -7.747 -3.146 13.057 387 H SER 58 H SER 58 -5.681 -3.164 12.068 388 HA SER 58 HA SER 58 -5.255 -0.863 10.352 389 HB2 SER 58 1HB SER 58 -2.769 -1.069 10.773 390 HB3 SER 58 2HB SER 58 -3.688 -0.481 12.145 391 HG SER 58 HG SER 58 -2.007 -2.323 12.414 392 H VAL 59 H VAL 59 -3.898 -1.410 8.412 393 HA VAL 59 HA VAL 59 -3.679 -4.287 7.940 394 HB VAL 59 HB VAL 59 -4.574 -3.792 5.605 395 HG11 VAL 59 1HG1 VAL 59 -5.945 -4.335 8.104 396 HG12 VAL 59 2HG1 VAL 59 -7.024 -3.518 6.949 397 HG13 VAL 59 3HG1 VAL 59 -6.209 -5.032 6.488 398 HG21 VAL 59 1HG2 VAL 59 -5.248 -1.232 7.015 399 HG22 VAL 59 2HG2 VAL 59 -4.715 -1.507 5.339 400 HG23 VAL 59 3HG2 VAL 59 -6.389 -1.883 5.814 401 H GLU 60 H GLU 60 -2.522 -4.497 5.596 402 HA GLU 60 HA GLU 60 -0.750 -2.368 5.031 403 HB2 GLU 60 1HB GLU 60 0.315 -4.833 6.466 404 HB3 GLU 60 2HB GLU 60 1.344 -3.786 5.509 405 HG2 GLU 60 1HG GLU 60 0.337 -1.836 6.961 406 HG3 GLU 60 2HG GLU 60 -0.181 -3.109 8.047 407 H ALA 61 H ALA 61 0.241 -2.641 2.971 408 HA ALA 61 HA ALA 61 0.100 -5.234 1.713 409 HB1 ALA 61 1HB ALA 61 -1.676 -2.904 0.949 410 HB2 ALA 61 2HB ALA 61 -1.168 -4.109 -0.259 411 HB3 ALA 61 3HB ALA 61 -2.107 -4.618 1.165 412 H GLN 62 H GLN 62 0.984 -4.961 -0.665 413 HA GLN 62 HA GLN 62 2.577 -2.656 -1.070 414 HB2 GLN 62 1HB GLN 62 4.765 -4.000 -1.134 415 HB3 GLN 62 2HB GLN 62 4.136 -3.612 0.455 416 HG2 GLN 62 1HG GLN 62 4.358 -5.844 0.881 417 HG3 GLN 62 2HG GLN 62 2.869 -6.018 -0.027 418 HE21 GLN 62 1HE2 GLN 62 6.353 -6.229 -0.105 419 HE22 GLN 62 2HE2 GLN 62 6.514 -7.177 -1.546 420 H THR 63 H THR 63 4.141 -3.162 -3.096 421 HA THR 63 HA THR 63 2.493 -4.739 -4.955 422 HB THR 63 HB THR 63 3.574 -3.187 -6.664 423 HG1 THR 63 1HG THR 63 5.441 -2.626 -5.384 424 HG21 THR 63 1HG2 THR 63 1.438 -2.599 -5.001 425 HG22 THR 63 2HG2 THR 63 2.546 -1.254 -4.638 426 HG23 THR 63 3HG2 THR 63 2.002 -1.533 -6.310 427 H ALA 64 H ALA 64 4.139 -5.195 -7.033 428 HA ALA 64 HA ALA 64 5.874 -7.195 -5.912 429 HB1 ALA 64 1HB ALA 64 6.034 -7.983 -8.174 430 HB2 ALA 64 2HB ALA 64 4.345 -7.482 -7.925 431 HB3 ALA 64 3HB ALA 64 5.463 -6.428 -8.824 432 H LEU 65 H LEU 65 8.124 -7.212 -5.922 433 HA LEU 65 HA LEU 65 9.461 -4.835 -5.720 434 HB2 LEU 65 1HB LEU 65 10.188 -7.682 -6.052 435 HB3 LEU 65 2HB LEU 65 11.443 -6.524 -6.448 436 HG LEU 65 HG LEU 65 11.583 -7.331 -4.128 437 HD11 LEU 65 1HD1 LEU 65 10.839 -4.415 -4.010 438 HD12 LEU 65 2HD1 LEU 65 12.143 -5.284 -3.165 439 HD13 LEU 65 3HD1 LEU 65 12.267 -4.974 -4.914 440 HD21 LEU 65 1HD2 LEU 65 9.560 -7.778 -3.221 441 HD22 LEU 65 2HD2 LEU 65 9.729 -6.114 -2.613 442 HD23 LEU 65 3HD2 LEU 65 8.754 -6.435 -4.067 443 H LYS 66 H LYS 66 10.830 -3.602 -7.095 444 HA LYS 66 HA LYS 66 10.777 -4.304 -9.917 445 HB2 LYS 66 1HB LYS 66 9.428 -1.915 -8.705 446 HB3 LYS 66 2HB LYS 66 10.199 -1.749 -10.270 447 HG2 LYS 66 1HG LYS 66 8.635 -4.225 -10.147 448 HG3 LYS 66 2HG LYS 66 7.638 -2.844 -9.737 449 HD2 LYS 66 1HD LYS 66 8.552 -1.688 -11.839 450 HD3 LYS 66 2HD LYS 66 9.297 -3.214 -12.271 451 HE2 LYS 66 1HE LYS 66 7.160 -4.325 -12.462 452 HE3 LYS 66 2HE LYS 66 6.320 -3.016 -11.655 453 HZ1 LYS 66 1HZ LYS 66 6.639 -3.277 -14.315 454 HZ2 LYS 66 2HZ LYS 66 6.176 -1.912 -13.548 455 HZ3 LYS 66 3HZ LYS 66 7.745 -2.134 -13.942 456 H LYS 67 H LYS 67 12.620 -3.633 -11.023 457 HA LYS 67 HA LYS 67 14.883 -3.136 -9.484 458 HB2 LYS 67 1HB LYS 67 15.306 -4.177 -11.503 459 HB3 LYS 67 2HB LYS 67 14.231 -3.130 -12.408 460 HG2 LYS 67 1HG LYS 67 15.861 -1.566 -12.776 461 HG3 LYS 67 2HG LYS 67 16.444 -1.645 -11.125 462 HD2 LYS 67 1HD LYS 67 18.198 -2.441 -12.649 463 HD3 LYS 67 2HD LYS 67 17.652 -3.770 -11.646 464 HE2 LYS 67 1HE LYS 67 15.975 -4.258 -13.633 465 HE3 LYS 67 2HE LYS 67 17.058 -3.254 -14.577 466 HZ1 LYS 67 1HZ LYS 67 18.648 -4.982 -13.163 467 HZ2 LYS 67 2HZ LYS 67 17.423 -5.896 -13.738 468 HZ3 LYS 67 3HZ LYS 67 18.338 -5.016 -14.765 469 H ARG 68 H ARG 68 15.482 -1.343 -8.405 470 HA ARG 68 HA ARG 68 14.159 0.943 -8.309 471 HB2 ARG 68 1HB ARG 68 16.524 0.019 -7.246 472 HB3 ARG 68 2HB ARG 68 17.136 1.295 -8.280 473 HG2 ARG 68 1HG ARG 68 15.803 2.977 -7.172 474 HG3 ARG 68 2HG ARG 68 14.818 1.774 -6.363 475 HD2 ARG 68 1HD ARG 68 17.127 0.986 -5.306 476 HD3 ARG 68 2HD ARG 68 17.678 2.584 -5.767 477 HE ARG 68 HE ARG 68 15.692 1.944 -3.687 478 HH11 ARG 68 2HH2 ARG 68 17.083 4.447 -5.731 479 HH12 ARG 68 1HH2 ARG 68 16.563 5.747 -4.711 480 HH21 ARG 68 2HH1 ARG 68 15.006 3.658 -2.341 481 HH22 ARG 68 1HH1 ARG 68 15.374 5.296 -2.770 482 H GLN 69 H GLN 69 13.818 2.749 -9.604 483 HA GLN 69 HA GLN 69 15.746 3.314 -11.664 484 HB2 GLN 69 1HB GLN 69 12.868 2.527 -12.215 485 HB3 GLN 69 2HB GLN 69 13.738 3.570 -13.322 486 HG2 GLN 69 1HG GLN 69 14.805 0.862 -12.403 487 HG3 GLN 69 2HG GLN 69 13.842 1.066 -13.853 488 HE21 GLN 69 1HE2 GLN 69 14.617 3.029 -15.228 489 HE22 GLN 69 2HE2 GLN 69 16.312 3.074 -15.583 490 H LEU 70 H LEU 70 15.308 5.501 -12.696 491 HA LEU 70 HA LEU 70 14.738 7.376 -10.697 492 HB2 LEU 70 1HB LEU 70 15.815 7.316 -13.322 493 HB3 LEU 70 2HB LEU 70 14.540 8.519 -13.312 494 HG LEU 70 HG LEU 70 16.519 8.580 -11.073 495 HD11 LEU 70 1HD1 LEU 70 17.326 8.633 -13.831 496 HD12 LEU 70 2HD1 LEU 70 17.584 10.234 -13.097 497 HD13 LEU 70 3HD1 LEU 70 18.313 8.789 -12.358 498 HD21 LEU 70 1HD2 LEU 70 15.736 10.648 -10.745 499 HD22 LEU 70 2HD2 LEU 70 15.802 11.053 -12.477 500 HD23 LEU 70 3HD2 LEU 70 14.405 10.165 -11.824 501 H HIS 71 H HIS 71 12.696 5.506 -12.781 502 HA HIS 71 HA HIS 71 10.412 6.857 -11.697 503 HB2 HIS 71 1HB HIS 71 11.120 8.134 -13.808 504 HB3 HIS 71 2HB HIS 71 10.625 6.714 -14.708 505 HD1 HIS 71 1HD HIS 71 8.964 8.827 -15.618 506 HD2 HIS 71 2HD HIS 71 8.114 7.027 -11.926 507 HE1 HIS 71 1HE HIS 71 6.528 9.379 -15.098 508 H THR 72 H THR 72 10.479 4.665 -10.690 509 HA THR 72 HA THR 72 10.080 2.396 -12.392 510 HB THR 72 HB THR 72 9.851 2.858 -9.372 511 HG1 THR 72 1HG THR 72 11.967 3.130 -10.471 512 HG21 THR 72 1HG2 THR 72 10.003 0.441 -9.139 513 HG22 THR 72 2HG2 THR 72 8.649 0.756 -10.251 514 HG23 THR 72 3HG2 THR 72 10.224 0.231 -10.893 515 H THR 73 H THR 73 8.197 1.100 -12.606 516 HA THR 73 HA THR 73 5.706 2.407 -11.787 517 HB THR 73 HB THR 73 4.830 2.097 -14.105 518 HG1 THR 73 1HG THR 73 6.064 0.756 -15.359 519 HG21 THR 73 1HG2 THR 73 6.818 4.006 -13.373 520 HG22 THR 73 2HG2 THR 73 7.317 3.376 -14.961 521 HG23 THR 73 3HG2 THR 73 5.706 4.105 -14.759 522 H TRP 74 H TRP 74 3.831 0.959 -11.816 523 HA TRP 74 HA TRP 74 4.649 -1.860 -11.690 524 HB2 TRP 74 1HB TRP 74 3.070 -0.275 -9.673 525 HB3 TRP 74 2HB TRP 74 2.943 -2.019 -9.790 526 HD1 TRP 74 HD TRP 74 4.958 -3.443 -8.749 527 HE1 TRP 74 1HE TRP 74 7.125 -2.927 -7.333 528 HE3 TRP 74 3HE TRP 74 4.870 1.589 -9.475 529 HZ2 TRP 74 2HZ TRP 74 8.527 -0.526 -6.690 530 HZ3 TRP 74 3HZ TRP 74 6.674 2.946 -8.418 531 HH2 TRP 74 HH TRP 74 8.459 1.967 -7.066 532 H GLU 75 H GLU 75 2.621 -3.313 -11.859 533 HA GLU 75 HA GLU 75 0.882 -2.077 -13.833 534 HB2 GLU 75 1HB GLU 75 2.241 -4.612 -13.681 535 HB3 GLU 75 2HB GLU 75 0.518 -4.931 -13.690 536 HG2 GLU 75 1HG GLU 75 0.200 -3.731 -15.762 537 HG3 GLU 75 2HG GLU 75 1.790 -2.999 -15.671 538 H GLU 76 H GLU 76 1.000 -3.648 -10.660 539 HA GLU 76 HA GLU 76 -1.912 -3.553 -10.589 540 HB2 GLU 76 1HB GLU 76 -1.807 -5.203 -8.794 541 HB3 GLU 76 2HB GLU 76 -0.872 -5.783 -10.158 542 HG2 GLU 76 1HG GLU 76 1.207 -4.785 -9.019 543 HG3 GLU 76 2HG GLU 76 0.207 -4.503 -7.607 544 H GLY 77 H GLY 77 -2.850 -2.944 -8.363 545 HA2 GLY 77 1HA GLY 77 -1.198 -0.791 -7.181 546 HA3 GLY 77 2HA GLY 77 -2.932 -0.696 -7.416 547 H LEU 78 H LEU 78 -2.026 -0.230 -4.878 548 HA LEU 78 HA LEU 78 -2.117 -2.730 -3.415 549 HB2 LEU 78 1HB LEU 78 -1.891 0.079 -2.342 550 HB3 LEU 78 2HB LEU 78 -1.541 -1.419 -1.502 551 HG LEU 78 HG LEU 78 0.004 -0.548 -3.950 552 HD11 LEU 78 1HD1 LEU 78 1.361 -0.157 -1.390 553 HD12 LEU 78 2HD1 LEU 78 1.250 0.910 -2.811 554 HD13 LEU 78 3HD1 LEU 78 -0.055 0.901 -1.601 555 HD21 LEU 78 1HD2 LEU 78 0.219 -2.895 -3.421 556 HD22 LEU 78 2HD2 LEU 78 1.733 -2.053 -3.015 557 HD23 LEU 78 3HD2 LEU 78 0.599 -2.516 -1.723 558 H VAL 79 H VAL 79 -3.637 -2.921 -1.516 559 HA VAL 79 HA VAL 79 -6.029 -1.338 -1.662 560 HB VAL 79 HB VAL 79 -6.980 -2.640 -3.207 561 HG11 VAL 79 1HG1 VAL 79 -4.885 -3.733 -3.830 562 HG12 VAL 79 2HG1 VAL 79 -5.066 -4.887 -2.487 563 HG13 VAL 79 3HG1 VAL 79 -6.225 -4.904 -3.837 564 HG21 VAL 79 1HG2 VAL 79 -8.343 -4.343 -2.324 565 HG22 VAL 79 2HG2 VAL 79 -7.123 -4.822 -1.120 566 HG23 VAL 79 3HG2 VAL 79 -8.000 -3.285 -0.935 567 H LEU 80 H LEU 80 -6.929 -1.193 0.356 568 HA LEU 80 HA LEU 80 -6.128 -3.251 2.286 569 HB2 LEU 80 1HB LEU 80 -5.942 -0.258 2.566 570 HB3 LEU 80 2HB LEU 80 -6.021 -1.322 3.956 571 HG LEU 80 HG LEU 80 -3.748 -0.934 3.700 572 HD11 LEU 80 1HD1 LEU 80 -2.890 -3.024 3.548 573 HD12 LEU 80 2HD1 LEU 80 -4.615 -3.462 3.513 574 HD13 LEU 80 3HD1 LEU 80 -3.690 -3.367 1.995 575 HD21 LEU 80 1HD2 LEU 80 -4.379 -0.240 1.084 576 HD22 LEU 80 2HD2 LEU 80 -2.771 -0.187 1.846 577 HD23 LEU 80 3HD2 LEU 80 -3.268 -1.620 0.914 578 HA PRO 81 HA PRO 81 -10.361 -3.261 3.148 579 HB2 PRO 81 1HB PRO 81 -10.375 -4.568 5.547 580 HB3 PRO 81 2HB PRO 81 -10.247 -5.394 4.007 581 HG2 PRO 81 1HG PRO 81 -8.139 -4.879 6.015 582 HG3 PRO 81 2HG PRO 81 -8.145 -6.041 4.703 583 HD2 PRO 81 1HD PRO 81 -6.743 -3.540 4.773 584 HD3 PRO 81 2HD PRO 81 -6.843 -4.647 3.419 585 H LEU 82 H LEU 82 -11.633 -1.577 3.551 586 HA LEU 82 HA LEU 82 -11.425 -0.455 6.209 587 HB2 LEU 82 1HB LEU 82 -9.775 0.864 5.151 588 HB3 LEU 82 2HB LEU 82 -10.748 1.080 3.709 589 HG LEU 82 HG LEU 82 -10.496 3.030 5.403 590 HD11 LEU 82 1HD1 LEU 82 -13.173 2.210 4.249 591 HD12 LEU 82 2HD1 LEU 82 -12.788 3.833 4.870 592 HD13 LEU 82 3HD1 LEU 82 -11.909 3.186 3.464 593 HD21 LEU 82 1HD2 LEU 82 -11.565 3.005 7.381 594 HD22 LEU 82 2HD2 LEU 82 -12.947 2.080 6.747 595 HD23 LEU 82 3HD2 LEU 82 -11.447 1.237 7.206 596 H ALA 83 H ALA 83 -13.405 0.245 6.951 597 HA ALA 83 HA ALA 83 -15.630 -0.275 5.172 598 HB1 ALA 83 1HB ALA 83 -15.184 -0.831 7.796 599 HB2 ALA 83 2HB ALA 83 -16.063 0.709 7.948 600 HB3 ALA 83 3HB ALA 83 -16.809 -0.659 7.089 601 H GLU 84 H GLU 84 -17.083 1.269 4.410 602 HA GLU 84 HA GLU 84 -16.108 3.799 4.001 603 HB2 GLU 84 1HB GLU 84 -17.953 2.534 2.734 604 HB3 GLU 84 2HB GLU 84 -19.059 3.049 3.992 605 HG2 GLU 84 1HG GLU 84 -17.794 5.438 3.354 606 HG3 GLU 84 2HG GLU 84 -17.819 4.631 1.799 607 H GLU 85 H GLU 85 -17.606 2.417 6.813 608 HA GLU 85 HA GLU 85 -18.558 4.944 7.774 609 HB2 GLU 85 1HB GLU 85 -19.304 3.664 9.738 610 HB3 GLU 85 2HB GLU 85 -19.806 2.860 8.264 611 HG2 GLU 85 1HG GLU 85 -18.350 1.075 8.563 612 HG3 GLU 85 2HG GLU 85 -17.131 2.054 9.354 613 H GLU 86 H GLU 86 -15.540 3.614 7.408 614 HA GLU 86 HA GLU 86 -14.607 4.931 9.839 615 HB2 GLU 86 1HB GLU 86 -13.392 2.498 8.456 616 HB3 GLU 86 2HB GLU 86 -12.685 3.323 9.831 617 HG2 GLU 86 1HG GLU 86 -15.372 2.818 10.592 618 HG3 GLU 86 2HG GLU 86 -14.858 1.358 9.771 619 H LEU 87 H LEU 87 -14.857 5.117 6.512 620 HA LEU 87 HA LEU 87 -12.434 5.641 5.464 621 HB2 LEU 87 1HB LEU 87 -15.165 6.743 5.042 622 HB3 LEU 87 2HB LEU 87 -13.830 7.582 4.277 623 HG LEU 87 HG LEU 87 -14.322 4.615 3.938 624 HD11 LEU 87 1HD1 LEU 87 -16.104 6.475 3.103 625 HD12 LEU 87 2HD1 LEU 87 -15.000 6.435 1.707 626 HD13 LEU 87 3HD1 LEU 87 -15.790 4.939 2.261 627 HD21 LEU 87 1HD2 LEU 87 -12.028 5.435 3.484 628 HD22 LEU 87 2HD2 LEU 87 -12.842 4.787 2.040 629 HD23 LEU 87 3HD2 LEU 87 -12.695 6.547 2.264 630 HA PRO 88 HA PRO 88 -12.446 9.927 7.454 631 HB2 PRO 88 1HB PRO 88 -14.300 10.552 9.362 632 HB3 PRO 88 2HB PRO 88 -14.481 10.983 7.673 633 HG2 PRO 88 1HG PRO 88 -15.849 8.852 9.198 634 HG3 PRO 88 2HG PRO 88 -16.304 9.570 7.666 635 HD2 PRO 88 1HD PRO 88 -15.077 7.008 8.063 636 HD3 PRO 88 2HD PRO 88 -15.426 7.777 6.527 637 H THR 89 H THR 89 -13.136 7.139 9.315 638 HA THR 89 HA THR 89 -11.305 8.121 11.396 639 HB THR 89 HB THR 89 -12.482 6.683 12.876 640 HG1 THR 89 1HG THR 89 -12.695 4.681 11.949 641 HG21 THR 89 1HG2 THR 89 -14.866 6.746 11.124 642 HG22 THR 89 2HG2 THR 89 -14.629 7.485 12.726 643 HG23 THR 89 3HG2 THR 89 -14.078 8.336 11.262 644 H ALA 90 H ALA 90 -10.404 7.290 8.717 645 HA ALA 90 HA ALA 90 -8.569 5.240 9.654 646 HB1 ALA 90 1HB ALA 90 -8.908 3.975 7.494 647 HB2 ALA 90 2HB ALA 90 -10.290 3.901 8.613 648 HB3 ALA 90 3HB ALA 90 -10.347 4.980 7.199 649 H THR 91 H THR 91 -6.506 5.453 8.742 650 HA THR 91 HA THR 91 -6.232 7.496 6.651 651 HB THR 91 HB THR 91 -4.292 7.353 8.977 652 HG1 THR 91 1HG THR 91 -6.912 8.657 8.738 653 HG21 THR 91 1HG2 THR 91 -4.099 9.764 8.534 654 HG22 THR 91 2HG2 THR 91 -3.900 8.898 6.992 655 HG23 THR 91 3HG2 THR 91 -5.447 9.693 7.373 656 H LEU 92 H LEU 92 -4.721 7.086 5.089 657 HA LEU 92 HA LEU 92 -3.502 4.437 5.288 658 HB2 LEU 92 1HB LEU 92 -4.775 4.499 3.376 659 HB3 LEU 92 2HB LEU 92 -4.421 6.184 3.049 660 HG LEU 92 HG LEU 92 -2.064 5.495 2.464 661 HD11 LEU 92 1HD1 LEU 92 -3.254 2.777 2.943 662 HD12 LEU 92 2HD1 LEU 92 -1.950 2.999 1.752 663 HD13 LEU 92 3HD1 LEU 92 -1.683 3.437 3.457 664 HD21 LEU 92 1HD2 LEU 92 -4.124 4.150 0.712 665 HD22 LEU 92 2HD2 LEU 92 -3.967 5.919 0.834 666 HD23 LEU 92 3HD2 LEU 92 -2.603 4.943 0.236 667 H THR 93 H THR 93 -1.289 4.125 5.229 668 HA THR 93 HA THR 93 0.338 6.567 4.991 669 HB THR 93 HB THR 93 0.351 4.370 7.108 670 HG1 THR 93 1HG THR 93 -0.900 6.410 7.322 671 HG21 THR 93 1HG2 THR 93 2.355 6.279 7.697 672 HG22 THR 93 2HG2 THR 93 2.627 4.578 7.249 673 HG23 THR 93 3HG2 THR 93 2.642 5.842 5.995 674 H LEU 94 H LEU 94 1.131 6.305 2.954 675 HA LEU 94 HA LEU 94 1.945 3.715 2.055 676 HB2 LEU 94 1HB LEU 94 1.654 6.429 0.955 677 HB3 LEU 94 2HB LEU 94 2.974 5.503 0.267 678 HG LEU 94 HG LEU 94 1.506 3.787 -0.505 679 HD11 LEU 94 1HD1 LEU 94 -0.932 3.819 -0.079 680 HD12 LEU 94 2HD1 LEU 94 0.031 3.577 1.398 681 HD13 LEU 94 3HD1 LEU 94 -0.693 5.168 1.058 682 HD21 LEU 94 1HD2 LEU 94 0.794 6.612 -1.107 683 HD22 LEU 94 2HD2 LEU 94 1.417 5.327 -2.169 684 HD23 LEU 94 3HD2 LEU 94 -0.302 5.344 -1.708 685 H THR 95 H THR 95 4.040 2.900 1.812 686 HA THR 95 HA THR 95 6.246 4.582 2.702 687 HB THR 95 HB THR 95 6.533 2.026 3.992 688 HG1 THR 95 1HG THR 95 4.120 2.089 3.660 689 HG21 THR 95 1HG2 THR 95 5.982 4.876 4.916 690 HG22 THR 95 2HG2 THR 95 6.032 3.535 6.085 691 HG23 THR 95 3HG2 THR 95 7.471 3.921 5.112 692 H LEU 96 H LEU 96 8.103 4.222 1.599 693 HA LEU 96 HA LEU 96 7.990 1.990 -0.299 694 HB2 LEU 96 1HB LEU 96 8.039 4.071 -1.423 695 HB3 LEU 96 2HB LEU 96 9.312 4.694 -0.392 696 HG LEU 96 HG LEU 96 10.779 2.807 -1.383 697 HD11 LEU 96 1HD1 LEU 96 8.659 1.741 -2.436 698 HD12 LEU 96 2HD1 LEU 96 8.894 2.952 -3.720 699 HD13 LEU 96 3HD1 LEU 96 10.177 1.770 -3.365 700 HD21 LEU 96 1HD2 LEU 96 10.174 4.739 -3.546 701 HD22 LEU 96 2HD2 LEU 96 10.537 5.433 -1.947 702 HD23 LEU 96 3HD2 LEU 96 11.712 4.353 -2.736 703 H ARG 97 H ARG 97 8.885 0.266 0.790 704 HA ARG 97 HA ARG 97 11.244 0.762 2.343 705 HB2 ARG 97 1HB ARG 97 9.272 -1.467 2.019 706 HB3 ARG 97 2HB ARG 97 10.909 -1.976 2.385 707 HG2 ARG 97 1HG ARG 97 10.787 -1.216 4.536 708 HG3 ARG 97 2HG ARG 97 10.070 0.308 4.051 709 HD2 ARG 97 1HD ARG 97 8.182 -0.508 5.067 710 HD3 ARG 97 2HD ARG 97 7.961 -1.396 3.572 711 HE ARG 97 HE ARG 97 8.389 -3.359 4.750 712 HH11 ARG 97 2HH2 ARG 97 9.903 -0.683 6.462 713 HH12 ARG 97 1HH2 ARG 97 10.444 -1.665 7.781 714 HH21 ARG 97 2HH1 ARG 97 9.102 -4.656 6.491 715 HH22 ARG 97 1HH1 ARG 97 9.985 -3.941 7.798 716 H THR 98 H THR 98 13.146 -0.887 2.046 717 HA THR 98 HA THR 98 13.521 -1.411 -0.830 718 HB THR 98 HB THR 98 15.874 -0.706 -0.502 719 HG1 THR 98 1HG THR 98 14.898 -0.071 2.189 720 HG21 THR 98 1HG2 THR 98 15.540 1.610 -0.322 721 HG22 THR 98 2HG2 THR 98 13.869 1.092 -0.647 722 HG23 THR 98 3HG2 THR 98 14.385 1.438 1.021 723 H CYS 99 H CYS 99 14.716 -3.272 -1.415 724 HA CYS 99 HA CYS 99 14.556 -5.303 0.655 725 HB2 CYS 99 1HB CYS 99 13.491 -5.623 -1.624 726 HB3 CYS 99 2HB CYS 99 15.106 -5.701 -2.300 727 HG CYS 99 HG CYS 99 13.956 -7.509 0.229 728 H ASP 100 H ASP 100 16.635 -3.127 0.602 729 HA ASP 100 HA ASP 100 18.994 -3.907 -0.481 730 HB2 ASP 100 1HB ASP 100 18.108 -2.203 1.778 731 HB3 ASP 100 2HB ASP 100 19.735 -2.821 1.986 732 H ARG 101 H ARG 101 20.956 -4.310 1.456 733 HA ARG 101 HA ARG 101 20.659 -7.010 2.013 734 HB2 ARG 101 1HB ARG 101 22.657 -4.871 2.826 735 HB3 ARG 101 2HB ARG 101 22.775 -6.471 3.531 736 HG2 ARG 101 1HG ARG 101 22.524 -7.204 0.932 737 HG3 ARG 101 2HG ARG 101 23.211 -5.611 0.682 738 HD2 ARG 101 1HD ARG 101 24.857 -6.556 2.684 739 HD3 ARG 101 2HD ARG 101 24.466 -8.052 1.860 740 HE ARG 101 HE ARG 101 26.205 -5.988 0.872 741 HH11 ARG 101 2HH2 ARG 101 23.743 -8.245 -0.238 742 HH12 ARG 101 1HH2 ARG 101 24.370 -8.334 -1.851 743 HH21 ARG 101 2HH1 ARG 101 27.031 -6.105 -1.255 744 HH22 ARG 101 1HH1 ARG 101 26.253 -7.108 -2.433 745 H PHE 102 H PHE 102 20.946 -4.158 4.272 746 HA PHE 102 HA PHE 102 19.526 -5.774 6.268 747 HB2 PHE 102 1HB PHE 102 21.341 -3.303 6.538 748 HB3 PHE 102 2HB PHE 102 20.708 -4.238 7.878 749 HD1 PHE 102 2HD PHE 102 22.805 -4.658 4.821 750 HD2 PHE 102 1HD PHE 102 22.022 -5.904 8.802 751 HE1 PHE 102 2HE PHE 102 24.843 -6.122 4.764 752 HE2 PHE 102 1HE PHE 102 24.060 -7.368 8.744 753 HZ PHE 102 HZ PHE 102 25.446 -7.460 6.726 754 H SER 103 H SER 103 19.872 -2.484 4.809 755 HA SER 103 HA SER 103 18.362 -0.952 4.428 756 HB2 SER 103 1HB SER 103 16.187 -2.495 5.872 757 HB3 SER 103 2HB SER 103 16.016 -1.349 4.558 758 HG SER 103 HG SER 103 16.071 -3.030 3.246 759 H ARG 104 H ARG 104 20.072 -0.574 6.494 760 HA ARG 104 HA ARG 104 18.910 -0.288 8.984 761 HB2 ARG 104 1HB ARG 104 21.355 0.914 7.636 762 HB3 ARG 104 2HB ARG 104 20.910 1.436 9.248 763 HG2 ARG 104 1HG ARG 104 21.822 -0.434 10.147 764 HG3 ARG 104 2HG ARG 104 20.766 -1.448 9.184 765 HD2 ARG 104 1HD ARG 104 22.359 -1.312 7.267 766 HD3 ARG 104 2HD ARG 104 23.405 -0.256 8.196 767 HE ARG 104 HE ARG 104 22.813 -2.790 9.550 768 HH11 ARG 104 2HH2 ARG 104 24.950 -1.157 7.281 769 HH12 ARG 104 1HH2 ARG 104 26.261 -2.263 7.522 770 HH21 ARG 104 2HH1 ARG 104 24.542 -4.249 9.869 771 HH22 ARG 104 1HH1 ARG 104 26.028 -4.034 9.005 772 H HIS 105 H HIS 105 16.804 0.756 8.399 773 HA HIS 105 HA HIS 105 16.626 3.348 9.096 774 HB2 HIS 105 1HB HIS 105 17.636 3.154 6.396 775 HB3 HIS 105 2HB HIS 105 16.063 3.927 6.385 776 HD1 HIS 105 1HD HIS 105 18.601 5.546 5.687 777 HD2 HIS 105 2HD HIS 105 16.943 5.327 9.534 778 HE1 HIS 105 1HE HIS 105 19.406 7.623 6.932 779 H SER 106 H SER 106 14.423 4.053 9.135 780 HA SER 106 HA SER 106 12.567 2.142 9.334 781 HB2 SER 106 1HB SER 106 12.336 5.080 8.622 782 HB3 SER 106 2HB SER 106 10.896 4.095 8.776 783 HG SER 106 HG SER 106 12.109 5.306 10.748 784 H VAL 107 H VAL 107 12.033 4.522 6.681 785 HA VAL 107 HA VAL 107 11.802 2.288 4.802 786 HB VAL 107 HB VAL 107 9.709 2.993 4.024 787 HG11 VAL 107 1HG1 VAL 107 9.052 3.529 6.862 788 HG12 VAL 107 2HG1 VAL 107 8.433 2.283 5.752 789 HG13 VAL 107 3HG1 VAL 107 10.001 2.053 6.561 790 HG21 VAL 107 1HG2 VAL 107 8.941 5.188 5.666 791 HG22 VAL 107 2HG2 VAL 107 10.532 5.573 4.966 792 HG23 VAL 107 3HG2 VAL 107 9.169 5.151 3.901 793 H ALA 108 H ALA 108 11.573 3.267 2.459 794 HA ALA 108 HA ALA 108 13.810 5.050 2.178 795 HB1 ALA 108 1HB ALA 108 13.058 2.940 0.761 796 HB2 ALA 108 2HB ALA 108 12.066 4.140 -0.100 797 HB3 ALA 108 3HB ALA 108 13.834 4.332 -0.031 798 H GLY 109 H GLY 109 10.313 5.239 2.329 799 HA2 GLY 109 1HA GLY 109 10.271 8.031 2.419 800 HA3 GLY 109 2HA GLY 109 9.901 7.552 0.774 801 H GLU 110 H GLU 110 8.396 8.516 3.476 802 HA GLU 110 HA GLU 110 6.272 6.536 3.247 803 HB2 GLU 110 1HB GLU 110 6.853 6.605 5.518 804 HB3 GLU 110 2HB GLU 110 7.215 8.320 5.488 805 HG2 GLU 110 1HG GLU 110 4.765 8.813 5.193 806 HG3 GLU 110 2HG GLU 110 4.422 7.096 5.279 807 H LEU 111 H LEU 111 4.176 7.167 2.654 808 HA LEU 111 HA LEU 111 3.827 10.034 2.132 809 HB2 LEU 111 1HB LEU 111 4.322 8.391 0.132 810 HB3 LEU 111 2HB LEU 111 2.627 7.984 0.318 811 HG LEU 111 HG LEU 111 2.531 9.624 -1.288 812 HD11 LEU 111 1HD1 LEU 111 2.190 10.937 1.401 813 HD12 LEU 111 2HD1 LEU 111 1.892 11.826 -0.112 814 HD13 LEU 111 3HD1 LEU 111 0.952 10.361 0.259 815 HD21 LEU 111 1HD2 LEU 111 4.270 10.889 -1.830 816 HD22 LEU 111 2HD2 LEU 111 4.151 11.790 -0.300 817 HD23 LEU 111 3HD2 LEU 111 5.112 10.294 -0.379 818 H ARG 112 H ARG 112 2.401 10.676 3.669 819 HA ARG 112 HA ARG 112 0.448 8.809 4.583 820 HB2 ARG 112 1HB ARG 112 1.247 10.160 6.344 821 HB3 ARG 112 2HB ARG 112 1.326 11.599 5.347 822 HG2 ARG 112 1HG ARG 112 -1.074 11.898 5.410 823 HG3 ARG 112 2HG ARG 112 -1.331 10.295 6.068 824 HD2 ARG 112 1HD ARG 112 -1.045 11.039 8.200 825 HD3 ARG 112 2HD ARG 112 0.487 11.789 7.798 826 HE ARG 112 HE ARG 112 -1.825 13.298 6.815 827 HH11 ARG 112 2HH2 ARG 112 0.314 12.765 9.558 828 HH12 ARG 112 1HH2 ARG 112 0.006 14.317 10.263 829 HH21 ARG 112 2HH1 ARG 112 -2.231 15.346 7.744 830 HH22 ARG 112 1HH1 ARG 112 -1.451 15.795 9.224 831 H LEU 113 H LEU 113 -1.752 8.794 4.040 832 HA LEU 113 HA LEU 113 -2.745 11.056 2.477 833 HB2 LEU 113 1HB LEU 113 -3.133 8.171 1.674 834 HB3 LEU 113 2HB LEU 113 -3.751 9.588 0.849 835 HG LEU 113 HG LEU 113 -0.794 9.046 1.195 836 HD11 LEU 113 1HD1 LEU 113 -2.534 8.345 -1.186 837 HD12 LEU 113 2HD1 LEU 113 -0.767 8.162 -1.071 838 HD13 LEU 113 3HD1 LEU 113 -1.832 7.186 -0.032 839 HD21 LEU 113 1HD2 LEU 113 -2.402 11.006 -0.440 840 HD22 LEU 113 2HD2 LEU 113 -1.092 11.322 0.723 841 HD23 LEU 113 3HD2 LEU 113 -0.724 10.580 -0.853 842 H GLY 114 H GLY 114 -5.281 10.680 2.176 843 HA2 GLY 114 1HA GLY 114 -6.344 9.546 4.687 844 HA3 GLY 114 2HA GLY 114 -6.758 11.170 4.175 845 H LEU 115 H LEU 115 -8.469 8.698 4.531 846 HA LEU 115 HA LEU 115 -9.437 8.480 1.767 847 HB2 LEU 115 1HB LEU 115 -10.360 6.514 3.752 848 HB3 LEU 115 2HB LEU 115 -9.899 6.306 2.074 849 HG LEU 115 HG LEU 115 -8.295 5.082 3.208 850 HD11 LEU 115 1HD1 LEU 115 -6.388 5.976 2.425 851 HD12 LEU 115 2HD1 LEU 115 -7.463 7.246 1.792 852 HD13 LEU 115 3HD1 LEU 115 -6.600 7.495 3.329 853 HD21 LEU 115 1HD2 LEU 115 -9.072 6.299 5.450 854 HD22 LEU 115 2HD2 LEU 115 -7.555 5.375 5.336 855 HD23 LEU 115 3HD2 LEU 115 -7.528 7.150 5.209 856 H ASP 116 H ASP 116 -9.945 10.773 3.466 857 HA ASP 116 HA ASP 116 -12.666 10.289 4.329 858 HB2 ASP 116 1HB ASP 116 -12.393 12.757 5.129 859 HB3 ASP 116 2HB ASP 116 -11.512 11.508 5.987 860 H GLY 117 H GLY 117 -10.681 11.723 1.802 861 HA2 GLY 117 1HA GLY 117 -11.481 12.353 -0.280 862 HA3 GLY 117 2HA GLY 117 -13.081 12.608 0.388 863 H THR 118 H THR 118 -9.963 13.845 1.719 864 HA THR 118 HA THR 118 -10.848 16.559 0.999 865 HB THR 118 HB THR 118 -9.943 15.392 3.662 866 HG1 THR 118 1HG THR 118 -11.961 17.295 2.696 867 HG21 THR 118 1HG2 THR 118 -10.204 18.373 3.077 868 HG22 THR 118 2HG2 THR 118 -9.543 17.591 4.533 869 HG23 THR 118 3HG2 THR 118 -8.623 17.559 3.009 870 H SER 119 H SER 119 -7.935 15.315 2.715 871 HA SER 119 HA SER 119 -6.173 16.944 1.566 872 HB2 SER 119 1HB SER 119 -5.743 13.998 2.233 873 HB3 SER 119 2HB SER 119 -4.450 15.155 1.990 874 HG SER 119 HG SER 119 -5.916 16.379 3.761 875 H VAL 120 H VAL 120 -6.979 13.608 0.341 876 HA VAL 120 HA VAL 120 -6.263 14.570 -2.336 877 HB VAL 120 HB VAL 120 -5.529 12.043 -2.573 878 HG11 VAL 120 1HG1 VAL 120 -3.613 13.930 -1.194 879 HG12 VAL 120 2HG1 VAL 120 -3.287 12.748 -2.485 880 HG13 VAL 120 3HG1 VAL 120 -4.201 14.233 -2.847 881 HG21 VAL 120 1HG2 VAL 120 -6.132 11.446 -0.249 882 HG22 VAL 120 2HG2 VAL 120 -4.405 11.185 -0.588 883 HG23 VAL 120 3HG2 VAL 120 -4.923 12.607 0.349 884 HA PRO 121 HA PRO 121 -10.195 12.957 -3.196 885 HB2 PRO 121 1HB PRO 121 -10.178 13.215 -5.916 886 HB3 PRO 121 2HB PRO 121 -10.555 14.538 -4.831 887 HG2 PRO 121 1HG PRO 121 -8.081 14.055 -6.374 888 HG3 PRO 121 2HG PRO 121 -8.642 15.543 -5.638 889 HD2 PRO 121 1HD PRO 121 -6.589 13.804 -4.643 890 HD3 PRO 121 2HD PRO 121 -7.231 15.228 -3.850 891 H LEU 122 H LEU 122 -11.371 11.299 -4.612 892 HA LEU 122 HA LEU 122 -9.593 8.981 -4.602 893 HB2 LEU 122 1HB LEU 122 -12.583 9.312 -4.458 894 HB3 LEU 122 2HB LEU 122 -11.833 7.765 -4.796 895 HG LEU 122 HG LEU 122 -11.280 9.410 -2.313 896 HD11 LEU 122 1HD1 LEU 122 -13.377 7.361 -2.912 897 HD12 LEU 122 2HD1 LEU 122 -12.646 7.404 -1.290 898 HD13 LEU 122 3HD1 LEU 122 -13.469 8.845 -1.934 899 HD21 LEU 122 1HD2 LEU 122 -10.658 6.835 -1.695 900 HD22 LEU 122 2HD2 LEU 122 -10.184 6.901 -3.409 901 HD23 LEU 122 3HD2 LEU 122 -9.489 8.058 -2.248 902 H GLY 123 H GLY 123 -9.643 7.464 -6.415 903 HA2 GLY 123 1HA GLY 123 -9.451 7.011 -8.608 904 HA3 GLY 123 2HA GLY 123 -10.969 7.862 -8.810 905 H ALA 124 H ALA 124 -8.184 9.566 -7.426 906 HA ALA 124 HA ALA 124 -7.699 10.831 -10.028 907 HB1 ALA 124 1HB ALA 124 -7.883 12.337 -7.396 908 HB2 ALA 124 2HB ALA 124 -7.777 13.011 -9.040 909 HB3 ALA 124 3HB ALA 124 -9.256 12.171 -8.516 910 H ALA 125 H ALA 125 -5.697 9.946 -10.448 911 HA ALA 125 HA ALA 125 -3.827 9.307 -8.480 912 HB1 ALA 125 1HB ALA 125 -4.129 8.790 -11.122 913 HB2 ALA 125 2HB ALA 125 -2.878 10.054 -11.207 914 HB3 ALA 125 3HB ALA 125 -2.587 8.576 -10.259 915 H GLN 126 H GLN 126 -2.225 10.460 -7.451 916 HA GLN 126 HA GLN 126 -1.832 13.186 -8.387 917 HB2 GLN 126 1HB GLN 126 -2.055 12.431 -5.444 918 HB3 GLN 126 2HB GLN 126 -1.892 14.045 -6.106 919 HG2 GLN 126 1HG GLN 126 -4.156 12.805 -7.392 920 HG3 GLN 126 2HG GLN 126 -4.308 12.524 -5.669 921 HE21 GLN 126 1HE2 GLN 126 -6.163 14.035 -6.772 922 HE22 GLN 126 2HE2 GLN 126 -5.992 15.713 -6.381 923 H TRP 127 H TRP 127 0.268 14.152 -7.586 924 HA TRP 127 HA TRP 127 2.259 12.010 -7.350 925 HB2 TRP 127 1HB TRP 127 2.231 14.694 -8.653 926 HB3 TRP 127 2HB TRP 127 3.749 14.106 -8.001 927 HD1 TRP 127 HD TRP 127 1.527 13.723 -11.010 928 HE1 TRP 127 1HE TRP 127 2.438 11.936 -12.725 929 HE3 TRP 127 3HE TRP 127 5.035 11.753 -7.900 930 HZ2 TRP 127 2HZ TRP 127 4.476 9.944 -12.592 931 HZ3 TRP 127 3HZ TRP 127 6.443 9.889 -8.770 932 HH2 TRP 127 HH TRP 127 6.208 8.985 -11.029 933 H GLY 128 H GLY 128 2.241 11.678 -5.089 934 HA2 GLY 128 1HA GLY 128 2.367 13.971 -3.311 935 HA3 GLY 128 2HA GLY 128 2.294 12.275 -2.875 936 H GLU 129 H GLU 129 4.062 13.715 -1.433 937 HA GLU 129 HA GLU 129 6.608 12.969 -2.645 938 HB2 GLU 129 1HB GLU 129 5.731 15.573 -1.731 939 HB3 GLU 129 2HB GLU 129 7.053 15.037 -0.714 940 HG2 GLU 129 1HG GLU 129 8.593 15.082 -2.439 941 HG3 GLU 129 2HG GLU 129 7.429 14.561 -3.641 942 H LEU 130 H LEU 130 7.675 11.421 -1.490 943 HA LEU 130 HA LEU 130 6.624 10.464 0.929 944 HB2 LEU 130 1HB LEU 130 9.368 9.965 -0.225 945 HB3 LEU 130 2HB LEU 130 8.499 8.963 0.921 946 HG LEU 130 HG LEU 130 7.334 9.500 -1.802 947 HD11 LEU 130 1HD1 LEU 130 9.787 8.013 -1.224 948 HD12 LEU 130 2HD1 LEU 130 8.552 7.040 -2.058 949 HD13 LEU 130 3HD1 LEU 130 9.114 8.569 -2.775 950 HD21 LEU 130 1HD2 LEU 130 7.007 6.838 -0.716 951 HD22 LEU 130 2HD2 LEU 130 6.480 8.074 0.451 952 HD23 LEU 130 3HD2 LEU 130 5.780 8.039 -1.185 953 H LYS 131 H LYS 131 6.768 11.309 2.930 954 HA LYS 131 HA LYS 131 8.795 13.339 3.388 955 HB2 LYS 131 1HB LYS 131 6.381 12.482 5.013 956 HB3 LYS 131 2HB LYS 131 7.481 13.771 5.460 957 HG2 LYS 131 1HG LYS 131 6.190 13.793 2.716 958 HG3 LYS 131 2HG LYS 131 5.268 14.327 4.108 959 HD2 LYS 131 1HD LYS 131 6.630 16.195 4.481 960 HD3 LYS 131 2HD LYS 131 8.049 15.439 3.784 961 HE2 LYS 131 1HE LYS 131 7.038 15.643 1.501 962 HE3 LYS 131 2HE LYS 131 5.618 16.398 2.198 963 HZ1 LYS 131 1HZ LYS 131 7.097 18.126 3.071 964 HZ2 LYS 131 2HZ LYS 131 8.359 17.448 2.286 965 HZ3 LYS 131 3HZ LYS 131 7.104 18.061 1.440 966 H THR 132 H THR 132 9.193 10.254 3.181 967 HA THR 132 HA THR 132 10.172 8.597 4.356 968 HB THR 132 HB THR 132 12.452 9.227 4.889 969 HG1 THR 132 1HG THR 132 11.432 11.965 4.993 970 HG21 THR 132 1HG2 THR 132 12.039 9.701 2.510 971 HG22 THR 132 2HG2 THR 132 11.270 11.253 2.920 972 HG23 THR 132 3HG2 THR 132 13.016 11.028 3.184 973 H SER 133 H SER 133 11.855 9.311 6.868 974 HA SER 133 HA SER 133 10.131 8.262 8.683 975 HB2 SER 133 1HB SER 133 12.622 8.457 8.923 976 HB3 SER 133 2HB SER 133 12.445 10.170 9.248 977 HG SER 133 HG SER 133 11.054 8.198 10.828 978 H GLY 134 H GLY 134 8.450 9.050 9.933 979 HA2 GLY 134 1HA GLY 134 8.206 11.973 10.219 980 HA3 GLY 134 2HA GLY 134 6.870 11.035 9.584 981 HA PRO 135 HA PRO 135 6.789 10.996 14.203 982 HB2 PRO 135 1HB PRO 135 4.756 12.759 14.683 983 HB3 PRO 135 2HB PRO 135 6.449 13.201 14.770 984 HG2 PRO 135 1HG PRO 135 4.474 13.834 12.664 985 HG3 PRO 135 2HG PRO 135 6.017 14.599 12.987 986 HD2 PRO 135 1HD PRO 135 5.435 12.731 10.890 987 HD3 PRO 135 2HD PRO 135 7.002 13.407 11.286 988 H SER 136 H SER 136 6.103 8.908 12.917 989 HA SER 136 HA SER 136 4.096 7.805 14.244 990 HB2 SER 136 1HB SER 136 3.008 9.573 12.116 991 HB3 SER 136 2HB SER 136 2.350 7.949 12.106 992 HG SER 136 HG SER 136 2.534 9.299 14.617 993 H SER 137 H SER 137 4.127 5.606 13.736 994 HA SER 137 HA SER 137 4.456 4.727 11.090 995 HB2 SER 137 1HB SER 137 6.862 5.460 12.242 996 HB3 SER 137 2HB SER 137 6.790 3.758 12.654 997 HG SER 137 HG SER 137 6.025 3.948 10.075 998 H GLY 138 H GLY 138 3.846 2.525 10.936 999 HA2 GLY 138 1HA GLY 138 2.308 1.375 12.856 1000 HA3 GLY 138 2HA GLY 138 3.165 0.484 11.614 Start of MODEL 15 1 H1 GLY 1 H GLY 1 19.205 2.605 25.353 2 HA2 GLY 1 1HA GLY 1 21.517 3.855 25.166 3 HA3 GLY 1 2HA GLY 1 22.080 2.203 25.020 4 H SER 2 H SER 2 21.450 4.792 23.169 5 HA SER 2 HA SER 2 21.157 3.246 20.853 6 HB2 SER 2 1HB SER 2 18.989 3.999 20.061 7 HB3 SER 2 2HB SER 2 18.769 3.253 21.631 8 HG SER 2 HG SER 2 17.622 5.147 21.781 9 H SER 3 H SER 3 21.350 4.628 18.878 10 HA SER 3 HA SER 3 21.450 7.381 19.023 11 HB2 SER 3 1HB SER 3 23.529 6.671 20.449 12 HB3 SER 3 2HB SER 3 24.260 6.237 18.916 13 HG SER 3 HG SER 3 24.255 8.360 18.248 14 H GLY 4 H GLY 4 22.201 8.327 16.921 15 HA2 GLY 4 1HA GLY 4 23.220 6.756 14.825 16 HA3 GLY 4 2HA GLY 4 21.470 6.749 14.725 17 H SER 5 H SER 5 22.608 7.890 12.599 18 HA SER 5 HA SER 5 21.615 10.462 12.638 19 HB2 SER 5 1HB SER 5 23.765 11.747 12.297 20 HB3 SER 5 2HB SER 5 23.528 11.161 13.932 21 HG SER 5 HG SER 5 25.692 10.802 12.586 22 H SER 6 H SER 6 22.109 11.607 10.471 23 HA SER 6 HA SER 6 23.519 10.323 8.483 24 HB2 SER 6 1HB SER 6 21.879 9.179 7.181 25 HB3 SER 6 2HB SER 6 21.645 8.611 8.822 26 HG SER 6 HG SER 6 20.073 10.724 8.689 27 H GLY 7 H GLY 7 22.978 11.326 6.257 28 HA2 GLY 7 1HA GLY 7 21.280 13.680 6.334 29 HA3 GLY 7 2HA GLY 7 23.000 14.000 6.233 30 H SER 8 H SER 8 21.150 14.713 4.167 31 HA SER 8 HA SER 8 22.489 13.717 1.979 32 HB2 SER 8 1HB SER 8 20.858 12.277 0.899 33 HB3 SER 8 2HB SER 8 21.206 11.621 2.487 34 HG SER 8 HG SER 8 18.846 12.948 1.552 35 H TRP 9 H TRP 9 21.497 14.580 -0.112 36 HA TRP 9 HA TRP 9 19.212 16.210 -0.036 37 HB2 TRP 9 1HB TRP 9 20.864 17.524 1.417 38 HB3 TRP 9 2HB TRP 9 21.753 17.826 -0.063 39 HD1 TRP 9 HD TRP 9 19.947 18.935 -2.127 40 HE1 TRP 9 1HE TRP 9 18.265 20.955 -1.901 41 HE3 TRP 9 3HE TRP 9 19.558 18.727 2.939 42 HZ2 TRP 9 2HZ TRP 9 16.989 22.212 0.322 43 HZ3 TRP 9 3HZ TRP 9 18.073 20.387 4.059 44 HH2 TRP 9 HH TRP 9 16.814 22.087 2.834 45 H ASN 10 H ASN 10 18.579 15.685 -2.088 46 HA ASN 10 HA ASN 10 19.889 16.614 -4.284 47 HB2 ASN 10 1HB ASN 10 21.066 14.147 -3.326 48 HB3 ASN 10 2HB ASN 10 20.234 13.790 -4.826 49 HD21 ASN 10 1HD2 ASN 10 21.838 13.602 -6.234 50 HD22 ASN 10 2HD2 ASN 10 23.010 14.817 -6.621 51 H GLN 11 H GLN 11 17.722 17.059 -4.950 52 HA GLN 11 HA GLN 11 15.781 16.710 -5.858 53 HB2 GLN 11 1HB GLN 11 17.230 14.206 -6.560 54 HB3 GLN 11 2HB GLN 11 15.485 14.093 -6.668 55 HG2 GLN 11 1HG GLN 11 16.075 14.874 -8.814 56 HG3 GLN 11 2HG GLN 11 15.617 16.351 -7.989 57 HE21 GLN 11 1HE2 GLN 11 16.954 17.194 -9.799 58 HE22 GLN 11 2HE2 GLN 11 18.652 17.416 -9.540 59 H ALA 12 H ALA 12 13.606 15.967 -5.344 60 HA ALA 12 HA ALA 12 13.515 14.722 -2.701 61 HB1 ALA 12 1HB ALA 12 10.977 15.615 -3.248 62 HB2 ALA 12 2HB ALA 12 12.231 16.575 -2.427 63 HB3 ALA 12 3HB ALA 12 11.965 16.769 -4.176 64 HA PRO 13 HA PRO 13 11.885 11.122 -4.480 65 HB2 PRO 13 1HB PRO 13 10.920 9.895 -2.237 66 HB3 PRO 13 2HB PRO 13 12.607 9.842 -2.708 67 HG2 PRO 13 1HG PRO 13 11.330 11.420 -0.558 68 HG3 PRO 13 2HG PRO 13 13.024 11.025 -0.772 69 HD2 PRO 13 1HD PRO 13 11.765 13.542 -1.327 70 HD3 PRO 13 2HD PRO 13 13.433 13.111 -1.649 71 H LYS 14 H LYS 14 10.175 10.743 -5.738 72 HA LYS 14 HA LYS 14 7.664 11.829 -4.667 73 HB2 LYS 14 1HB LYS 14 9.013 12.169 -7.222 74 HB3 LYS 14 2HB LYS 14 7.400 11.521 -7.442 75 HG2 LYS 14 1HG LYS 14 6.722 13.388 -5.663 76 HG3 LYS 14 2HG LYS 14 8.232 14.130 -6.154 77 HD2 LYS 14 1HD LYS 14 5.871 13.421 -7.953 78 HD3 LYS 14 2HD LYS 14 6.436 15.029 -7.545 79 HE2 LYS 14 1HE LYS 14 8.734 13.803 -8.588 80 HE3 LYS 14 2HE LYS 14 7.451 13.149 -9.588 81 HZ1 LYS 14 1HZ LYS 14 7.752 16.018 -9.039 82 HZ2 LYS 14 2HZ LYS 14 8.376 15.281 -10.356 83 HZ3 LYS 14 3HZ LYS 14 6.759 15.324 -10.134 84 H LEU 15 H LEU 15 5.786 10.549 -4.767 85 HA LEU 15 HA LEU 15 6.120 7.859 -5.839 86 HB2 LEU 15 1HB LEU 15 6.741 7.424 -3.645 87 HB3 LEU 15 2HB LEU 15 5.600 8.573 -2.976 88 HG LEU 15 HG LEU 15 3.738 7.106 -3.435 89 HD11 LEU 15 1HD1 LEU 15 3.774 5.178 -4.691 90 HD12 LEU 15 2HD1 LEU 15 4.936 6.194 -5.577 91 HD13 LEU 15 3HD1 LEU 15 5.523 4.931 -4.470 92 HD21 LEU 15 1HD2 LEU 15 5.191 6.777 -1.384 93 HD22 LEU 15 2HD2 LEU 15 4.160 5.405 -1.852 94 HD23 LEU 15 3HD2 LEU 15 5.900 5.378 -2.224 95 H HIS 16 H HIS 16 4.580 7.852 -7.398 96 HA HIS 16 HA HIS 16 2.226 9.427 -7.089 97 HB2 HIS 16 1HB HIS 16 3.445 9.015 -9.248 98 HB3 HIS 16 2HB HIS 16 2.879 7.357 -9.202 99 HD1 HIS 16 1HD HIS 16 0.709 6.928 -10.372 100 HD2 HIS 16 2HD HIS 16 1.126 10.944 -9.236 101 HE1 HIS 16 1HE HIS 16 -1.319 8.153 -11.320 102 H TYR 17 H TYR 17 0.052 8.681 -6.859 103 HA TYR 17 HA TYR 17 -0.426 5.881 -6.450 104 HB2 TYR 17 1HB TYR 17 -1.241 6.389 -4.058 105 HB3 TYR 17 2HB TYR 17 0.497 6.515 -4.245 106 HD1 TYR 17 1HD TYR 17 -2.622 8.572 -4.206 107 HD2 TYR 17 2HD TYR 17 1.622 8.502 -3.667 108 HE1 TYR 17 1HE TYR 17 -2.690 10.947 -3.301 109 HE2 TYR 17 2HE TYR 17 1.539 10.877 -2.764 110 HH TYR 17 HH TYR 17 -0.008 12.354 -1.729 111 H CYS 18 H CYS 18 -2.562 5.383 -6.860 112 HA CYS 18 HA CYS 18 -4.326 7.702 -7.172 113 HB2 CYS 18 1HB CYS 18 -3.912 6.801 -9.343 114 HB3 CYS 18 2HB CYS 18 -4.138 5.153 -8.793 115 HG CYS 18 HG CYS 18 -6.217 5.664 -10.174 116 H LEU 19 H LEU 19 -5.467 7.707 -5.227 117 HA LEU 19 HA LEU 19 -6.147 5.260 -3.928 118 HB2 LEU 19 1HB LEU 19 -7.159 8.045 -3.360 119 HB3 LEU 19 2HB LEU 19 -7.183 6.664 -2.282 120 HG LEU 19 HG LEU 19 -4.911 8.448 -3.049 121 HD11 LEU 19 1HD1 LEU 19 -6.433 8.260 -0.824 122 HD12 LEU 19 2HD1 LEU 19 -5.096 7.170 -0.386 123 HD13 LEU 19 3HD1 LEU 19 -4.756 8.858 -0.838 124 HD21 LEU 19 1HD2 LEU 19 -3.294 6.756 -2.161 125 HD22 LEU 19 2HD2 LEU 19 -4.590 5.541 -2.268 126 HD23 LEU 19 3HD2 LEU 19 -4.003 6.348 -3.742 127 H ASP 20 H ASP 20 -8.160 4.231 -3.786 128 HA ASP 20 HA ASP 20 -10.400 5.407 -5.075 129 HB2 ASP 20 1HB ASP 20 -8.838 3.151 -6.341 130 HB3 ASP 20 2HB ASP 20 -10.584 3.127 -6.483 131 H TYR 21 H TYR 21 -11.959 4.867 -3.540 132 HA TYR 21 HA TYR 21 -11.682 2.277 -2.190 133 HB2 TYR 21 1HB TYR 21 -11.722 4.516 -0.924 134 HB3 TYR 21 2HB TYR 21 -13.306 4.831 -1.605 135 HD1 TYR 21 1HD TYR 21 -11.444 2.471 0.604 136 HD2 TYR 21 2HD TYR 21 -15.261 4.019 -0.552 137 HE1 TYR 21 1HE TYR 21 -12.532 1.271 2.563 138 HE2 TYR 21 2HE TYR 21 -16.337 2.814 1.411 139 HH TYR 21 HH TYR 21 -15.151 0.382 2.899 140 H ASP 22 H ASP 22 -12.917 0.677 -3.041 141 HA ASP 22 HA ASP 22 -15.255 1.415 -4.522 142 HB2 ASP 22 1HB ASP 22 -13.515 -0.965 -4.206 143 HB3 ASP 22 2HB ASP 22 -15.214 -1.375 -4.335 144 H CYS 23 H CYS 23 -16.665 2.187 -2.780 145 HA CYS 23 HA CYS 23 -17.094 1.124 -0.363 146 HB2 CYS 23 1HB CYS 23 -19.191 2.206 -0.327 147 HB3 CYS 23 2HB CYS 23 -18.203 3.156 -1.419 148 HG CYS 23 HG CYS 23 -19.084 2.226 -3.630 149 H GLN 24 H GLN 24 -18.046 -0.168 -3.545 150 HA GLN 24 HA GLN 24 -19.954 -1.967 -2.705 151 HB2 GLN 24 1HB GLN 24 -18.005 -2.506 -4.973 152 HB3 GLN 24 2HB GLN 24 -19.680 -3.007 -4.850 153 HG2 GLN 24 1HG GLN 24 -19.716 -0.171 -4.585 154 HG3 GLN 24 2HG GLN 24 -18.581 -0.503 -5.878 155 HE21 GLN 24 1HE2 GLN 24 -19.323 -2.259 -7.441 156 HE22 GLN 24 2HE2 GLN 24 -20.956 -2.163 -8.012 157 H LYS 25 H LYS 25 -16.374 -2.379 -3.139 158 HA LYS 25 HA LYS 25 -16.579 -4.969 -1.817 159 HB2 LYS 25 1HB LYS 25 -14.043 -3.809 -2.941 160 HB3 LYS 25 2HB LYS 25 -14.505 -5.488 -2.749 161 HG2 LYS 25 1HG LYS 25 -16.481 -4.783 -4.430 162 HG3 LYS 25 2HG LYS 25 -15.356 -3.514 -4.868 163 HD2 LYS 25 1HD LYS 25 -14.016 -4.957 -6.011 164 HD3 LYS 25 2HD LYS 25 -13.986 -6.102 -4.684 165 HE2 LYS 25 1HE LYS 25 -16.617 -6.290 -5.712 166 HE3 LYS 25 2HE LYS 25 -15.605 -6.146 -7.135 167 HZ1 LYS 25 1HZ LYS 25 -15.846 -8.313 -5.349 168 HZ2 LYS 25 2HZ LYS 25 -15.162 -8.270 -6.831 169 HZ3 LYS 25 3HZ LYS 25 -14.281 -7.876 -5.514 170 H ALA 26 H ALA 26 -16.542 -1.846 -0.844 171 HA ALA 26 HA ALA 26 -15.630 -0.693 0.848 172 HB1 ALA 26 1HB ALA 26 -16.931 -1.532 2.477 173 HB2 ALA 26 2HB ALA 26 -16.887 -3.151 1.739 174 HB3 ALA 26 3HB ALA 26 -15.615 -2.660 2.882 175 H GLU 27 H GLU 27 -13.612 -1.751 -0.897 176 HA GLU 27 HA GLU 27 -11.520 -2.141 1.091 177 HB2 GLU 27 1HB GLU 27 -12.051 -3.708 -1.433 178 HB3 GLU 27 2HB GLU 27 -10.392 -3.487 -0.915 179 HG2 GLU 27 1HG GLU 27 -12.251 -4.291 1.268 180 HG3 GLU 27 2HG GLU 27 -12.082 -5.485 -0.004 181 H LEU 28 H LEU 28 -9.972 -0.568 0.982 182 HA LEU 28 HA LEU 28 -10.130 1.386 -1.070 183 HB2 LEU 28 1HB LEU 28 -9.578 1.863 1.281 184 HB3 LEU 28 2HB LEU 28 -8.080 0.970 1.110 185 HG LEU 28 HG LEU 28 -7.384 2.608 -0.671 186 HD11 LEU 28 1HD1 LEU 28 -9.991 3.873 0.133 187 HD12 LEU 28 2HD1 LEU 28 -8.638 4.867 -0.460 188 HD13 LEU 28 3HD1 LEU 28 -9.320 3.586 -1.491 189 HD21 LEU 28 1HD2 LEU 28 -7.756 4.384 1.616 190 HD22 LEU 28 2HD2 LEU 28 -7.206 2.757 2.085 191 HD23 LEU 28 3HD2 LEU 28 -6.267 3.710 0.911 192 H PHE 29 H PHE 29 -8.154 2.069 -2.369 193 HA PHE 29 HA PHE 29 -6.413 -0.162 -3.020 194 HB2 PHE 29 1HB PHE 29 -8.347 1.334 -4.883 195 HB3 PHE 29 2HB PHE 29 -6.998 0.407 -5.510 196 HD1 PHE 29 2HD PHE 29 -10.225 0.187 -3.765 197 HD2 PHE 29 1HD PHE 29 -7.057 -1.992 -5.558 198 HE1 PHE 29 2HE PHE 29 -11.635 -1.890 -3.731 199 HE2 PHE 29 1HE PHE 29 -8.466 -4.069 -5.525 200 HZ PHE 29 HZ PHE 29 -10.738 -3.993 -4.611 201 H VAL 30 H VAL 30 -4.383 0.489 -3.780 202 HA VAL 30 HA VAL 30 -4.065 3.377 -4.196 203 HB VAL 30 HB VAL 30 -2.370 1.514 -2.526 204 HG11 VAL 30 1HG1 VAL 30 -1.571 4.311 -2.473 205 HG12 VAL 30 2HG1 VAL 30 -0.593 2.851 -2.756 206 HG13 VAL 30 3HG1 VAL 30 -1.446 3.627 -4.112 207 HG21 VAL 30 1HG2 VAL 30 -4.575 2.810 -1.721 208 HG22 VAL 30 2HG2 VAL 30 -3.157 2.580 -0.669 209 HG23 VAL 30 3HG2 VAL 30 -3.395 4.127 -1.517 210 H THR 31 H THR 31 -4.414 2.495 -6.483 211 HA THR 31 HA THR 31 -2.189 0.961 -7.523 212 HB THR 31 HB THR 31 -3.550 0.967 -9.567 213 HG1 THR 31 1HG THR 31 -5.347 2.745 -8.119 214 HG21 THR 31 1HG2 THR 31 -4.915 -0.531 -8.495 215 HG22 THR 31 2HG2 THR 31 -4.774 0.350 -6.955 216 HG23 THR 31 3HG2 THR 31 -5.990 0.847 -8.156 217 H ARG 32 H ARG 32 -2.186 2.311 -10.136 218 HA ARG 32 HA ARG 32 -0.735 3.631 -11.098 219 HB2 ARG 32 1HB ARG 32 -2.198 5.657 -9.333 220 HB3 ARG 32 2HB ARG 32 -1.200 6.106 -10.701 221 HG2 ARG 32 1HG ARG 32 -3.505 4.139 -10.998 222 HG3 ARG 32 2HG ARG 32 -3.764 5.869 -11.098 223 HD2 ARG 32 1HD ARG 32 -1.519 4.775 -12.764 224 HD3 ARG 32 2HD ARG 32 -3.138 4.326 -13.262 225 HE ARG 32 HE ARG 32 -3.009 7.161 -12.703 226 HH11 ARG 32 2HH2 ARG 32 -2.113 4.761 -15.115 227 HH12 ARG 32 1HH2 ARG 32 -2.139 5.887 -16.431 228 HH21 ARG 32 2HH1 ARG 32 -3.044 8.647 -14.439 229 HH22 ARG 32 1HH1 ARG 32 -2.672 8.112 -16.044 230 H LEU 33 H LEU 33 0.663 2.338 -9.123 231 HA LEU 33 HA LEU 33 1.961 4.283 -7.430 232 HB2 LEU 33 1HB LEU 33 2.413 1.319 -7.805 233 HB3 LEU 33 2HB LEU 33 3.209 2.323 -6.609 234 HG LEU 33 HG LEU 33 0.215 1.870 -6.746 235 HD11 LEU 33 1HD1 LEU 33 2.387 0.276 -5.557 236 HD12 LEU 33 2HD1 LEU 33 1.047 0.655 -4.448 237 HD13 LEU 33 3HD1 LEU 33 0.720 -0.178 -5.987 238 HD21 LEU 33 1HD2 LEU 33 1.945 3.623 -5.129 239 HD22 LEU 33 2HD2 LEU 33 0.207 3.733 -5.497 240 HD23 LEU 33 3HD2 LEU 33 0.775 2.659 -4.197 241 H GLU 34 H GLU 34 3.828 5.345 -7.881 242 HA GLU 34 HA GLU 34 5.693 4.192 -9.690 243 HB2 GLU 34 1HB GLU 34 4.276 6.776 -10.481 244 HB3 GLU 34 2HB GLU 34 5.682 6.116 -11.292 245 HG2 GLU 34 1HG GLU 34 4.339 3.980 -11.708 246 HG3 GLU 34 2HG GLU 34 2.932 4.809 -11.070 247 H ALA 35 H ALA 35 7.544 4.503 -8.532 248 HA ALA 35 HA ALA 35 7.734 6.839 -6.825 249 HB1 ALA 35 1HB ALA 35 9.881 5.644 -6.129 250 HB2 ALA 35 2HB ALA 35 8.366 4.765 -5.814 251 HB3 ALA 35 3HB ALA 35 9.383 4.316 -7.204 252 H VAL 36 H VAL 36 9.182 8.541 -7.118 253 HA VAL 36 HA VAL 36 10.692 8.446 -9.638 254 HB VAL 36 HB VAL 36 8.976 10.567 -8.399 255 HG11 VAL 36 1HG1 VAL 36 11.582 10.993 -9.691 256 HG12 VAL 36 2HG1 VAL 36 10.249 11.891 -10.456 257 HG13 VAL 36 3HG1 VAL 36 10.585 12.104 -8.721 258 HG21 VAL 36 1HG2 VAL 36 8.380 8.887 -10.344 259 HG22 VAL 36 2HG2 VAL 36 7.865 10.589 -10.421 260 HG23 VAL 36 3HG2 VAL 36 9.291 10.048 -11.339 261 H THR 37 H THR 37 12.388 7.451 -8.212 262 HA THR 37 HA THR 37 14.198 9.471 -7.368 263 HB THR 37 HB THR 37 12.706 9.479 -5.382 264 HG1 THR 37 1HG THR 37 15.109 7.848 -4.975 265 HG21 THR 37 1HG2 THR 37 11.706 7.505 -4.781 266 HG22 THR 37 2HG2 THR 37 12.819 6.560 -5.798 267 HG23 THR 37 3HG2 THR 37 13.295 7.015 -4.144 268 H SER 38 H SER 38 16.321 8.653 -6.982 269 HA SER 38 HA SER 38 16.543 5.813 -7.584 270 HB2 SER 38 1HB SER 38 18.298 6.191 -9.170 271 HB3 SER 38 2HB SER 38 17.009 7.296 -9.604 272 HG SER 38 HG SER 38 18.249 8.895 -8.167 273 H ASN 39 H ASN 39 18.182 4.716 -6.423 274 HA ASN 39 HA ASN 39 19.567 6.411 -4.498 275 HB2 ASN 39 1HB ASN 39 17.914 4.128 -4.109 276 HB3 ASN 39 2HB ASN 39 19.546 3.538 -3.860 277 HD21 ASN 39 1HD2 ASN 39 20.973 5.041 -2.535 278 HD22 ASN 39 2HD2 ASN 39 20.288 5.707 -1.089 279 H HIS 40 H HIS 40 21.832 6.375 -4.618 280 HA HIS 40 HA HIS 40 22.983 4.486 -6.508 281 HB2 HIS 40 1HB HIS 40 23.376 6.908 -6.825 282 HB3 HIS 40 2HB HIS 40 24.154 6.987 -5.257 283 HD1 HIS 40 1HD HIS 40 24.640 5.456 -8.709 284 HD2 HIS 40 2HD HIS 40 26.829 6.244 -5.218 285 HE1 HIS 40 1HE HIS 40 27.082 4.972 -9.271 286 H ASP 41 H ASP 41 23.838 5.945 -3.282 287 HA ASP 41 HA ASP 41 25.648 3.891 -2.723 288 HB2 ASP 41 1HB ASP 41 24.945 6.370 -1.622 289 HB3 ASP 41 2HB ASP 41 24.437 5.241 -0.382 290 H GLY 42 H GLY 42 24.907 1.766 -2.466 291 HA2 GLY 42 1HA GLY 42 23.799 0.015 -1.592 292 HA3 GLY 42 2HA GLY 42 23.229 1.066 -0.310 293 H GLY 43 H GLY 43 22.505 -0.373 -3.459 294 HA2 GLY 43 1HA GLY 43 19.753 0.699 -3.258 295 HA3 GLY 43 2HA GLY 43 20.599 0.494 -4.779 296 H CYS 44 H CYS 44 18.053 -0.764 -3.769 297 HA CYS 44 HA CYS 44 18.728 -3.433 -4.561 298 HB2 CYS 44 1HB CYS 44 18.030 -2.800 -1.726 299 HB3 CYS 44 2HB CYS 44 17.291 -4.221 -2.436 300 HG CYS 44 HG CYS 44 19.166 -5.670 -2.391 301 H ASP 45 H ASP 45 16.324 -4.707 -4.111 302 HA ASP 45 HA ASP 45 14.681 -3.587 -5.979 303 HB2 ASP 45 1HB ASP 45 14.073 -5.515 -3.694 304 HB3 ASP 45 2HB ASP 45 12.913 -5.151 -4.955 305 H CYS 46 H CYS 46 12.869 -2.164 -5.852 306 HA CYS 46 HA CYS 46 12.270 -1.160 -3.164 307 HB2 CYS 46 1HB CYS 46 12.048 1.055 -3.990 308 HB3 CYS 46 2HB CYS 46 13.572 0.451 -4.609 309 HG CYS 46 HG CYS 46 11.921 -0.634 -6.762 310 H TYR 47 H TYR 47 10.013 -0.750 -2.747 311 HA TYR 47 HA TYR 47 8.128 -1.258 -4.885 312 HB2 TYR 47 1HB TYR 47 7.048 -3.045 -3.391 313 HB3 TYR 47 2HB TYR 47 8.623 -3.522 -3.993 314 HD1 TYR 47 2HD TYR 47 10.582 -3.586 -2.487 315 HD2 TYR 47 1HD TYR 47 6.681 -2.601 -1.031 316 HE1 TYR 47 2HE TYR 47 11.362 -3.993 -0.102 317 HE2 TYR 47 1HE TYR 47 7.475 -3.011 1.350 318 HH TYR 47 HH TYR 47 9.156 -3.462 2.631 319 H VAL 48 H VAL 48 5.919 -0.646 -4.298 320 HA VAL 48 HA VAL 48 5.962 1.406 -2.240 321 HB VAL 48 HB VAL 48 3.724 0.761 -4.150 322 HG11 VAL 48 1HG1 VAL 48 4.040 2.654 -2.100 323 HG12 VAL 48 2HG1 VAL 48 4.260 3.562 -3.615 324 HG13 VAL 48 3HG1 VAL 48 2.774 2.618 -3.351 325 HG21 VAL 48 1HG2 VAL 48 6.405 1.822 -4.764 326 HG22 VAL 48 2HG2 VAL 48 5.168 1.127 -5.839 327 HG23 VAL 48 3HG2 VAL 48 5.063 2.835 -5.349 328 H GLN 49 H GLN 49 4.552 1.439 -0.447 329 HA GLN 49 HA GLN 49 2.939 -0.948 -0.109 330 HB2 GLN 49 1HB GLN 49 5.115 -1.354 1.036 331 HB3 GLN 49 2HB GLN 49 4.901 0.110 1.975 332 HG2 GLN 49 1HG GLN 49 2.504 -1.169 2.467 333 HG3 GLN 49 2HG GLN 49 3.573 -2.544 2.272 334 HE21 GLN 49 1HE2 GLN 49 2.848 -2.716 4.582 335 HE22 GLN 49 2HE2 GLN 49 3.837 -1.981 5.800 336 H GLY 50 H GLY 50 0.904 -0.455 0.630 337 HA2 GLY 50 1HA GLY 50 0.519 2.261 1.735 338 HA3 GLY 50 2HA GLY 50 -0.640 1.407 0.736 339 H SER 51 H SER 51 0.347 2.099 3.943 340 HA SER 51 HA SER 51 -1.073 -0.224 4.958 341 HB2 SER 51 1HB SER 51 1.266 0.367 5.806 342 HB3 SER 51 2HB SER 51 0.571 1.805 6.529 343 HG SER 51 HG SER 51 0.401 0.389 8.187 344 H VAL 52 H VAL 52 -2.980 0.009 6.189 345 HA VAL 52 HA VAL 52 -3.931 2.773 6.497 346 HB VAL 52 HB VAL 52 -5.082 0.479 5.095 347 HG11 VAL 52 1HG1 VAL 52 -6.896 2.044 6.961 348 HG12 VAL 52 2HG1 VAL 52 -7.380 0.781 5.803 349 HG13 VAL 52 3HG1 VAL 52 -6.381 0.359 7.215 350 HG21 VAL 52 1HG2 VAL 52 -4.637 3.110 4.550 351 HG22 VAL 52 2HG2 VAL 52 -5.787 2.080 3.664 352 HG23 VAL 52 3HG2 VAL 52 -6.367 3.142 4.969 353 H ALA 53 H ALA 53 -5.357 3.132 8.345 354 HA ALA 53 HA ALA 53 -5.253 0.986 10.336 355 HB1 ALA 53 1HB ALA 53 -4.716 2.827 12.028 356 HB2 ALA 53 2HB ALA 53 -3.390 2.356 10.937 357 HB3 ALA 53 3HB ALA 53 -4.302 3.855 10.636 358 H ASN 54 H ASN 54 -7.396 0.493 10.519 359 HA ASN 54 HA ASN 54 -9.204 2.774 10.668 360 HB2 ASN 54 1HB ASN 54 -10.628 0.270 10.390 361 HB3 ASN 54 2HB ASN 54 -10.564 1.603 9.255 362 HD21 ASN 54 1HD2 ASN 54 -9.088 -1.400 10.281 363 HD22 ASN 54 2HD2 ASN 54 -8.217 -1.756 8.827 364 H ARG 55 H ARG 55 -11.304 2.047 12.073 365 HA ARG 55 HA ARG 55 -10.393 1.658 14.642 366 HB2 ARG 55 1HB ARG 55 -12.948 2.066 13.279 367 HB3 ARG 55 2HB ARG 55 -13.148 0.900 14.572 368 HG2 ARG 55 1HG ARG 55 -13.515 3.031 15.596 369 HG3 ARG 55 2HG ARG 55 -11.908 2.553 16.105 370 HD2 ARG 55 1HD ARG 55 -10.898 3.961 14.316 371 HD3 ARG 55 2HD ARG 55 -12.493 4.403 13.741 372 HE ARG 55 HE ARG 55 -12.777 5.831 15.610 373 HH11 ARG 55 2HH2 ARG 55 -9.844 3.915 15.947 374 HH12 ARG 55 1HH2 ARG 55 -9.232 4.851 17.270 375 HH21 ARG 55 2HH1 ARG 55 -11.970 7.066 17.355 376 HH22 ARG 55 1HH1 ARG 55 -10.449 6.655 18.076 377 H THR 56 H THR 56 -11.237 -0.597 12.084 378 HA THR 56 HA THR 56 -11.811 -2.813 13.808 379 HB THR 56 HB THR 56 -11.870 -4.029 11.644 380 HG1 THR 56 1HG THR 56 -10.671 -3.141 9.990 381 HG21 THR 56 1HG2 THR 56 -13.149 -2.097 10.246 382 HG22 THR 56 2HG2 THR 56 -13.914 -2.888 11.645 383 HG23 THR 56 3HG2 THR 56 -13.137 -1.298 11.836 384 H GLY 57 H GLY 57 -8.920 -1.316 12.449 385 HA2 GLY 57 1HA GLY 57 -7.092 -2.361 14.099 386 HA3 GLY 57 2HA GLY 57 -7.285 -3.663 12.942 387 H SER 58 H SER 58 -5.544 -3.609 11.576 388 HA SER 58 HA SER 58 -5.176 -1.160 10.103 389 HB2 SER 58 1HB SER 58 -2.661 -1.327 10.398 390 HB3 SER 58 2HB SER 58 -3.537 -0.827 11.831 391 HG SER 58 HG SER 58 -1.959 -3.061 11.433 392 H VAL 59 H VAL 59 -4.254 -1.529 7.986 393 HA VAL 59 HA VAL 59 -3.784 -4.353 7.349 394 HB VAL 59 HB VAL 59 -4.932 -3.747 5.125 395 HG11 VAL 59 1HG1 VAL 59 -6.046 -4.575 7.718 396 HG12 VAL 59 2HG1 VAL 59 -7.263 -3.947 6.581 397 HG13 VAL 59 3HG1 VAL 59 -6.220 -5.308 6.105 398 HG21 VAL 59 1HG2 VAL 59 -5.869 -1.494 6.906 399 HG22 VAL 59 2HG2 VAL 59 -5.237 -1.420 5.244 400 HG23 VAL 59 3HG2 VAL 59 -6.857 -2.090 5.551 401 H GLU 60 H GLU 60 -2.550 -4.596 5.242 402 HA GLU 60 HA GLU 60 -1.107 -2.237 4.474 403 HB2 GLU 60 1HB GLU 60 0.142 -4.531 5.985 404 HB3 GLU 60 2HB GLU 60 1.088 -3.734 4.743 405 HG2 GLU 60 1HG GLU 60 0.778 -1.547 5.842 406 HG3 GLU 60 2HG GLU 60 -0.305 -2.255 7.024 407 H ALA 61 H ALA 61 -0.004 -2.498 2.403 408 HA ALA 61 HA ALA 61 -0.118 -5.041 1.093 409 HB1 ALA 61 1HB ALA 61 -1.541 -3.806 -0.803 410 HB2 ALA 61 2HB ALA 61 -2.328 -4.686 0.529 411 HB3 ALA 61 3HB ALA 61 -2.176 -2.914 0.600 412 H GLN 62 H GLN 62 0.877 -4.883 -1.121 413 HA GLN 62 HA GLN 62 2.074 -2.428 -1.835 414 HB2 GLN 62 1HB GLN 62 4.471 -3.418 -1.655 415 HB3 GLN 62 2HB GLN 62 3.732 -2.786 -0.198 416 HG2 GLN 62 1HG GLN 62 4.248 -4.810 0.723 417 HG3 GLN 62 2HG GLN 62 2.843 -5.403 -0.140 418 HE21 GLN 62 1HE2 GLN 62 6.313 -5.151 -0.074 419 HE22 GLN 62 2HE2 GLN 62 6.678 -6.338 -1.282 420 H THR 63 H THR 63 3.684 -2.847 -3.777 421 HA THR 63 HA THR 63 2.439 -4.945 -5.403 422 HB THR 63 HB THR 63 3.262 -3.552 -7.288 423 HG1 THR 63 1HG THR 63 5.224 -2.862 -6.132 424 HG21 THR 63 1HG2 THR 63 2.013 -1.502 -6.907 425 HG22 THR 63 2HG2 THR 63 1.139 -2.787 -6.039 426 HG23 THR 63 3HG2 THR 63 2.184 -1.659 -5.142 427 H ALA 64 H ALA 64 4.062 -5.783 -7.197 428 HA ALA 64 HA ALA 64 5.873 -7.410 -5.851 429 HB1 ALA 64 1HB ALA 64 5.893 -6.637 -8.794 430 HB2 ALA 64 2HB ALA 64 6.516 -8.137 -8.066 431 HB3 ALA 64 3HB ALA 64 4.766 -7.816 -8.082 432 H LEU 65 H LEU 65 8.262 -7.481 -6.080 433 HA LEU 65 HA LEU 65 9.339 -4.874 -5.583 434 HB2 LEU 65 1HB LEU 65 10.278 -7.697 -5.395 435 HB3 LEU 65 2HB LEU 65 11.487 -6.434 -5.514 436 HG LEU 65 HG LEU 65 9.739 -5.502 -3.545 437 HD11 LEU 65 1HD1 LEU 65 10.380 -8.302 -2.708 438 HD12 LEU 65 2HD1 LEU 65 9.124 -7.186 -2.119 439 HD13 LEU 65 3HD1 LEU 65 8.924 -8.004 -3.688 440 HD21 LEU 65 1HD2 LEU 65 11.961 -5.048 -3.205 441 HD22 LEU 65 2HD2 LEU 65 11.711 -6.361 -2.031 442 HD23 LEU 65 3HD2 LEU 65 12.480 -6.705 -3.599 443 H LYS 66 H LYS 66 10.403 -3.552 -6.980 444 HA LYS 66 HA LYS 66 11.119 -4.729 -9.575 445 HB2 LYS 66 1HB LYS 66 9.718 -2.127 -8.955 446 HB3 LYS 66 2HB LYS 66 10.596 -2.360 -10.453 447 HG2 LYS 66 1HG LYS 66 9.012 -4.710 -10.109 448 HG3 LYS 66 2HG LYS 66 7.965 -3.366 -9.697 449 HD2 LYS 66 1HD LYS 66 8.919 -2.267 -11.906 450 HD3 LYS 66 2HD LYS 66 9.405 -3.901 -12.314 451 HE2 LYS 66 1HE LYS 66 7.097 -4.703 -12.162 452 HE3 LYS 66 2HE LYS 66 6.552 -3.173 -11.504 453 HZ1 LYS 66 1HZ LYS 66 7.056 -3.881 -14.206 454 HZ2 LYS 66 2HZ LYS 66 6.160 -2.655 -13.604 455 HZ3 LYS 66 3HZ LYS 66 7.771 -2.471 -13.797 456 H LYS 67 H LYS 67 13.023 -3.848 -10.597 457 HA LYS 67 HA LYS 67 15.056 -3.270 -8.733 458 HB2 LYS 67 1HB LYS 67 16.464 -3.680 -10.455 459 HB3 LYS 67 2HB LYS 67 15.025 -4.375 -11.173 460 HG2 LYS 67 1HG LYS 67 15.879 -1.471 -11.575 461 HG3 LYS 67 2HG LYS 67 16.289 -2.765 -12.684 462 HD2 LYS 67 1HD LYS 67 13.407 -2.160 -11.897 463 HD3 LYS 67 2HD LYS 67 14.188 -1.365 -13.249 464 HE2 LYS 67 1HE LYS 67 14.224 -3.288 -14.553 465 HE3 LYS 67 2HE LYS 67 14.421 -4.354 -13.176 466 HZ1 LYS 67 1HZ LYS 67 11.925 -2.912 -13.724 467 HZ2 LYS 67 2HZ LYS 67 12.218 -4.427 -14.258 468 HZ3 LYS 67 3HZ LYS 67 12.152 -4.125 -12.655 469 H ARG 68 H ARG 68 16.200 -1.342 -8.314 470 HA ARG 68 HA ARG 68 14.664 0.912 -8.205 471 HB2 ARG 68 1HB ARG 68 16.878 0.283 -6.960 472 HB3 ARG 68 2HB ARG 68 17.709 0.973 -8.339 473 HG2 ARG 68 1HG ARG 68 17.558 2.840 -6.935 474 HG3 ARG 68 2HG ARG 68 16.133 3.059 -7.931 475 HD2 ARG 68 1HD ARG 68 15.621 1.339 -5.575 476 HD3 ARG 68 2HD ARG 68 16.167 2.945 -5.134 477 HE ARG 68 HE ARG 68 14.067 2.907 -7.196 478 HH11 ARG 68 2HH2 ARG 68 14.773 3.062 -3.753 479 HH12 ARG 68 1HH2 ARG 68 13.250 3.779 -3.343 480 HH21 ARG 68 2HH1 ARG 68 12.058 3.852 -6.656 481 HH22 ARG 68 1HH1 ARG 68 11.695 4.231 -5.005 482 H GLN 69 H GLN 69 14.271 2.632 -9.615 483 HA GLN 69 HA GLN 69 16.031 2.926 -11.881 484 HB2 GLN 69 1HB GLN 69 13.130 2.119 -12.045 485 HB3 GLN 69 2HB GLN 69 13.762 3.197 -13.274 486 HG2 GLN 69 1HG GLN 69 15.089 0.550 -12.528 487 HG3 GLN 69 2HG GLN 69 13.921 0.706 -13.826 488 HE21 GLN 69 1HE2 GLN 69 16.373 -0.225 -14.391 489 HE22 GLN 69 2HE2 GLN 69 17.309 0.918 -15.295 490 H LEU 70 H LEU 70 15.701 5.047 -13.005 491 HA LEU 70 HA LEU 70 15.456 7.123 -11.201 492 HB2 LEU 70 1HB LEU 70 15.598 6.841 -14.154 493 HB3 LEU 70 2HB LEU 70 15.034 8.378 -13.531 494 HG LEU 70 HG LEU 70 17.453 8.354 -14.004 495 HD11 LEU 70 1HD1 LEU 70 16.158 9.284 -11.656 496 HD12 LEU 70 2HD1 LEU 70 17.780 8.720 -11.186 497 HD13 LEU 70 3HD1 LEU 70 17.599 9.943 -12.467 498 HD21 LEU 70 1HD2 LEU 70 18.332 6.281 -13.625 499 HD22 LEU 70 2HD2 LEU 70 18.814 7.093 -12.116 500 HD23 LEU 70 3HD2 LEU 70 17.390 6.024 -12.136 501 H HIS 71 H HIS 71 13.009 5.208 -12.765 502 HA HIS 71 HA HIS 71 10.995 6.653 -11.374 503 HB2 HIS 71 1HB HIS 71 11.220 8.113 -13.320 504 HB3 HIS 71 2HB HIS 71 11.009 6.751 -14.403 505 HD1 HIS 71 1HD HIS 71 8.936 8.217 -15.339 506 HD2 HIS 71 2HD HIS 71 8.507 6.654 -11.470 507 HE1 HIS 71 1HE HIS 71 6.450 8.355 -14.784 508 H THR 72 H THR 72 10.859 4.536 -10.390 509 HA THR 72 HA THR 72 10.222 2.286 -12.072 510 HB THR 72 HB THR 72 10.265 2.692 -9.034 511 HG1 THR 72 1HG THR 72 12.307 2.990 -10.229 512 HG21 THR 72 1HG2 THR 72 10.370 0.285 -8.865 513 HG22 THR 72 2HG2 THR 72 8.997 0.617 -9.947 514 HG23 THR 72 3HG2 THR 72 10.560 0.101 -10.625 515 H THR 73 H THR 73 8.267 1.341 -12.469 516 HA THR 73 HA THR 73 5.937 2.558 -11.167 517 HB THR 73 HB THR 73 4.848 2.710 -13.415 518 HG1 THR 73 1HG THR 73 5.964 1.769 -15.102 519 HG21 THR 73 1HG2 THR 73 6.491 4.596 -12.515 520 HG22 THR 73 2HG2 THR 73 7.578 3.987 -13.786 521 HG23 THR 73 3HG2 THR 73 5.977 4.633 -14.218 522 H TRP 74 H TRP 74 3.966 1.224 -11.332 523 HA TRP 74 HA TRP 74 4.652 -1.607 -11.728 524 HB2 TRP 74 1HB TRP 74 3.147 -0.350 -9.433 525 HB3 TRP 74 2HB TRP 74 3.077 -2.060 -9.807 526 HD1 TRP 74 HD TRP 74 5.115 -3.545 -8.956 527 HE1 TRP 74 1HE TRP 74 7.327 -3.161 -7.569 528 HE3 TRP 74 3HE TRP 74 4.965 1.534 -9.129 529 HZ2 TRP 74 2HZ TRP 74 8.734 -0.828 -6.719 530 HZ3 TRP 74 3HZ TRP 74 6.796 2.790 -7.996 531 HH2 TRP 74 HH TRP 74 8.636 1.690 -6.821 532 H GLU 75 H GLU 75 2.280 -2.822 -11.626 533 HA GLU 75 HA GLU 75 0.612 -1.245 -13.428 534 HB2 GLU 75 1HB GLU 75 1.380 -4.175 -13.466 535 HB3 GLU 75 2HB GLU 75 -0.109 -3.651 -14.227 536 HG2 GLU 75 1HG GLU 75 0.990 -2.449 -15.895 537 HG3 GLU 75 2HG GLU 75 2.361 -2.065 -14.873 538 H GLU 76 H GLU 76 0.803 -3.512 -10.674 539 HA GLU 76 HA GLU 76 -2.073 -3.414 -10.405 540 HB2 GLU 76 1HB GLU 76 -1.811 -5.178 -8.760 541 HB3 GLU 76 2HB GLU 76 -0.832 -5.586 -10.155 542 HG2 GLU 76 1HG GLU 76 1.153 -4.482 -8.934 543 HG3 GLU 76 2HG GLU 76 0.133 -4.411 -7.511 544 H GLY 77 H GLY 77 -2.935 -3.063 -8.070 545 HA2 GLY 77 1HA GLY 77 -1.338 -0.962 -6.731 546 HA3 GLY 77 2HA GLY 77 -3.051 -0.781 -7.054 547 H LEU 78 H LEU 78 -2.039 -0.620 -4.424 548 HA LEU 78 HA LEU 78 -2.234 -3.145 -3.130 549 HB2 LEU 78 1HB LEU 78 -2.453 -0.414 -1.875 550 HB3 LEU 78 2HB LEU 78 -1.972 -1.916 -1.111 551 HG LEU 78 HG LEU 78 0.143 -1.353 -1.466 552 HD11 LEU 78 1HD1 LEU 78 -0.409 -2.761 -3.585 553 HD12 LEU 78 2HD1 LEU 78 -0.192 -1.220 -4.448 554 HD13 LEU 78 3HD1 LEU 78 1.141 -1.893 -3.480 555 HD21 LEU 78 1HD2 LEU 78 -0.696 0.840 -3.377 556 HD22 LEU 78 2HD2 LEU 78 -0.704 0.996 -1.603 557 HD23 LEU 78 3HD2 LEU 78 0.827 0.710 -2.465 558 H VAL 79 H VAL 79 -3.895 -3.470 -1.293 559 HA VAL 79 HA VAL 79 -6.466 -2.271 -1.894 560 HB VAL 79 HB VAL 79 -6.027 -5.262 -1.964 561 HG11 VAL 79 1HG1 VAL 79 -8.194 -4.969 -1.157 562 HG12 VAL 79 2HG1 VAL 79 -8.468 -3.501 -2.127 563 HG13 VAL 79 3HG1 VAL 79 -8.445 -5.097 -2.915 564 HG21 VAL 79 1HG2 VAL 79 -6.342 -3.222 -4.167 565 HG22 VAL 79 2HG2 VAL 79 -5.137 -4.522 -4.001 566 HG23 VAL 79 3HG2 VAL 79 -6.826 -4.919 -4.399 567 H LEU 80 H LEU 80 -6.560 -1.314 0.132 568 HA LEU 80 HA LEU 80 -6.150 -3.093 2.418 569 HB2 LEU 80 1HB LEU 80 -6.087 -0.106 2.073 570 HB3 LEU 80 2HB LEU 80 -6.243 -0.843 3.655 571 HG LEU 80 HG LEU 80 -4.025 -0.897 3.750 572 HD11 LEU 80 1HD1 LEU 80 -4.309 -3.236 3.228 573 HD12 LEU 80 2HD1 LEU 80 -4.263 -2.891 1.482 574 HD13 LEU 80 3HD1 LEU 80 -2.809 -2.639 2.477 575 HD21 LEU 80 1HD2 LEU 80 -4.373 0.285 1.118 576 HD22 LEU 80 2HD2 LEU 80 -3.186 0.651 2.392 577 HD23 LEU 80 3HD2 LEU 80 -2.868 -0.659 1.230 578 HA PRO 81 HA PRO 81 -10.480 -3.197 2.795 579 HB2 PRO 81 1HB PRO 81 -10.622 -4.773 5.024 580 HB3 PRO 81 2HB PRO 81 -10.449 -5.417 3.404 581 HG2 PRO 81 1HG PRO 81 -8.415 -5.195 5.537 582 HG3 PRO 81 2HG PRO 81 -8.392 -6.196 4.099 583 HD2 PRO 81 1HD PRO 81 -6.940 -3.758 4.516 584 HD3 PRO 81 2HD PRO 81 -7.008 -4.698 3.039 585 H LEU 82 H LEU 82 -11.829 -1.636 3.409 586 HA LEU 82 HA LEU 82 -11.615 -0.780 6.160 587 HB2 LEU 82 1HB LEU 82 -10.002 0.678 5.266 588 HB3 LEU 82 2HB LEU 82 -10.948 0.994 3.825 589 HG LEU 82 HG LEU 82 -12.667 2.097 5.383 590 HD11 LEU 82 1HD1 LEU 82 -11.916 1.230 7.502 591 HD12 LEU 82 2HD1 LEU 82 -10.307 1.956 7.277 592 HD13 LEU 82 3HD1 LEU 82 -11.731 3.001 7.496 593 HD21 LEU 82 1HD2 LEU 82 -10.990 4.151 5.637 594 HD22 LEU 82 2HD2 LEU 82 -10.004 3.144 4.550 595 HD23 LEU 82 3HD2 LEU 82 -11.642 3.639 4.062 596 H ALA 83 H ALA 83 -13.531 0.365 6.877 597 HA ALA 83 HA ALA 83 -15.802 -0.249 5.141 598 HB1 ALA 83 1HB ALA 83 -16.906 -0.778 7.046 599 HB2 ALA 83 2HB ALA 83 -15.296 -0.790 7.805 600 HB3 ALA 83 3HB ALA 83 -16.312 0.668 7.898 601 H GLU 84 H GLU 84 -17.201 1.338 4.394 602 HA GLU 84 HA GLU 84 -16.208 3.858 4.053 603 HB2 GLU 84 1HB GLU 84 -18.106 2.654 2.798 604 HB3 GLU 84 2HB GLU 84 -19.174 3.172 4.086 605 HG2 GLU 84 1HG GLU 84 -17.893 5.547 3.484 606 HG3 GLU 84 2HG GLU 84 -17.912 4.774 1.912 607 H GLU 85 H GLU 85 -17.687 2.439 6.859 608 HA GLU 85 HA GLU 85 -18.562 4.963 7.898 609 HB2 GLU 85 1HB GLU 85 -19.561 3.731 9.637 610 HB3 GLU 85 2HB GLU 85 -19.664 2.633 8.275 611 HG2 GLU 85 1HG GLU 85 -17.188 1.954 9.274 612 HG3 GLU 85 2HG GLU 85 -18.003 2.436 10.749 613 H GLU 86 H GLU 86 -15.605 3.343 7.574 614 HA GLU 86 HA GLU 86 -14.596 4.616 9.997 615 HB2 GLU 86 1HB GLU 86 -13.308 2.330 8.446 616 HB3 GLU 86 2HB GLU 86 -12.786 2.969 9.992 617 HG2 GLU 86 1HG GLU 86 -15.499 2.353 10.418 618 HG3 GLU 86 2HG GLU 86 -14.938 1.044 9.396 619 H LEU 87 H LEU 87 -14.856 4.939 6.656 620 HA LEU 87 HA LEU 87 -12.423 5.524 5.657 621 HB2 LEU 87 1HB LEU 87 -15.159 6.619 5.235 622 HB3 LEU 87 2HB LEU 87 -13.817 7.475 4.501 623 HG LEU 87 HG LEU 87 -14.329 4.518 4.092 624 HD11 LEU 87 1HD1 LEU 87 -16.063 6.417 3.258 625 HD12 LEU 87 2HD1 LEU 87 -14.924 6.404 1.890 626 HD13 LEU 87 3HD1 LEU 87 -15.743 4.902 2.380 627 HD21 LEU 87 1HD2 LEU 87 -12.006 5.667 3.709 628 HD22 LEU 87 2HD2 LEU 87 -12.658 4.525 2.510 629 HD23 LEU 87 3HD2 LEU 87 -12.777 6.278 2.225 630 HA PRO 88 HA PRO 88 -12.528 9.741 7.791 631 HB2 PRO 88 1HB PRO 88 -14.406 10.264 9.705 632 HB3 PRO 88 2HB PRO 88 -14.583 10.751 8.031 633 HG2 PRO 88 1HG PRO 88 -15.922 8.542 9.470 634 HG3 PRO 88 2HG PRO 88 -16.380 9.306 7.961 635 HD2 PRO 88 1HD PRO 88 -15.108 6.755 8.276 636 HD3 PRO 88 2HD PRO 88 -15.461 7.571 6.766 637 H THR 89 H THR 89 -13.258 6.915 9.611 638 HA THR 89 HA THR 89 -11.482 7.849 11.746 639 HB THR 89 HB THR 89 -12.623 6.282 13.107 640 HG1 THR 89 1HG THR 89 -12.233 4.442 11.733 641 HG21 THR 89 1HG2 THR 89 -14.837 6.874 12.882 642 HG22 THR 89 2HG2 THR 89 -14.273 7.890 11.534 643 HG23 THR 89 3HG2 THR 89 -14.913 6.260 11.213 644 H ALA 90 H ALA 90 -10.590 7.100 8.959 645 HA ALA 90 HA ALA 90 -8.607 5.159 9.866 646 HB1 ALA 90 1HB ALA 90 -10.122 4.949 7.233 647 HB2 ALA 90 2HB ALA 90 -8.845 3.855 7.818 648 HB3 ALA 90 3HB ALA 90 -10.413 3.923 8.658 649 H THR 91 H THR 91 -6.617 5.232 8.530 650 HA THR 91 HA THR 91 -6.401 7.513 6.743 651 HB THR 91 HB THR 91 -4.474 7.278 9.085 652 HG1 THR 91 1HG THR 91 -7.046 8.666 8.800 653 HG21 THR 91 1HG2 THR 91 -5.491 9.867 7.948 654 HG22 THR 91 2HG2 THR 91 -3.855 9.447 8.510 655 HG23 THR 91 3HG2 THR 91 -4.407 8.919 6.903 656 H LEU 92 H LEU 92 -4.790 7.309 5.204 657 HA LEU 92 HA LEU 92 -3.498 4.678 5.237 658 HB2 LEU 92 1HB LEU 92 -4.894 4.815 3.378 659 HB3 LEU 92 2HB LEU 92 -4.474 6.485 3.051 660 HG LEU 92 HG LEU 92 -2.131 5.652 2.476 661 HD11 LEU 92 1HD1 LEU 92 -3.228 2.973 1.862 662 HD12 LEU 92 2HD1 LEU 92 -1.597 3.464 2.379 663 HD13 LEU 92 3HD1 LEU 92 -2.903 3.308 3.579 664 HD21 LEU 92 1HD2 LEU 92 -2.812 4.937 0.201 665 HD22 LEU 92 2HD2 LEU 92 -4.495 4.829 0.770 666 HD23 LEU 92 3HD2 LEU 92 -3.657 6.399 0.765 667 H THR 93 H THR 93 -1.251 4.517 4.572 668 HA THR 93 HA THR 93 0.235 7.013 4.474 669 HB THR 93 HB THR 93 0.550 4.888 6.657 670 HG1 THR 93 1HG THR 93 0.088 7.787 6.547 671 HG21 THR 93 1HG2 THR 93 2.371 6.368 7.509 672 HG22 THR 93 2HG2 THR 93 2.795 5.713 5.909 673 HG23 THR 93 3HG2 THR 93 2.217 7.390 6.059 674 H LEU 94 H LEU 94 1.362 6.835 2.646 675 HA LEU 94 HA LEU 94 2.029 4.242 1.633 676 HB2 LEU 94 1HB LEU 94 2.235 7.067 0.709 677 HB3 LEU 94 2HB LEU 94 3.295 5.884 -0.030 678 HG LEU 94 HG LEU 94 0.269 5.732 0.054 679 HD11 LEU 94 1HD1 LEU 94 1.824 6.037 -2.479 680 HD12 LEU 94 2HD1 LEU 94 0.174 6.567 -2.071 681 HD13 LEU 94 3HD1 LEU 94 1.577 7.470 -1.451 682 HD21 LEU 94 1HD2 LEU 94 0.894 3.508 -0.015 683 HD22 LEU 94 2HD2 LEU 94 0.779 3.917 -1.743 684 HD23 LEU 94 3HD2 LEU 94 2.371 3.837 -0.952 685 H THR 95 H THR 95 3.915 3.128 1.856 686 HA THR 95 HA THR 95 6.219 4.603 2.921 687 HB THR 95 HB THR 95 6.110 1.935 4.031 688 HG1 THR 95 1HG THR 95 3.910 1.840 4.253 689 HG21 THR 95 1HG2 THR 95 7.185 3.835 5.200 690 HG22 THR 95 2HG2 THR 95 5.632 4.703 5.255 691 HG23 THR 95 3HG2 THR 95 5.851 3.210 6.199 692 H LEU 96 H LEU 96 7.886 4.441 1.573 693 HA LEU 96 HA LEU 96 7.903 2.150 -0.240 694 HB2 LEU 96 1HB LEU 96 7.964 4.144 -1.439 695 HB3 LEU 96 2HB LEU 96 9.073 4.910 -0.318 696 HG LEU 96 HG LEU 96 10.776 3.109 -1.117 697 HD11 LEU 96 1HD1 LEU 96 9.505 1.605 -2.361 698 HD12 LEU 96 2HD1 LEU 96 8.613 2.896 -3.202 699 HD13 LEU 96 3HD1 LEU 96 10.320 2.588 -3.601 700 HD21 LEU 96 1HD2 LEU 96 11.724 4.685 -2.458 701 HD22 LEU 96 2HD2 LEU 96 10.198 5.061 -3.295 702 HD23 LEU 96 3HD2 LEU 96 10.497 5.698 -1.660 703 H ARG 97 H ARG 97 8.805 0.443 0.872 704 HA ARG 97 HA ARG 97 11.190 1.006 2.390 705 HB2 ARG 97 1HB ARG 97 9.534 -1.548 2.071 706 HB3 ARG 97 2HB ARG 97 10.945 -1.421 3.103 707 HG2 ARG 97 1HG ARG 97 9.834 -0.202 4.710 708 HG3 ARG 97 2HG ARG 97 8.924 0.723 3.533 709 HD2 ARG 97 1HD ARG 97 7.323 -0.659 4.701 710 HD3 ARG 97 2HD ARG 97 7.505 -1.358 3.104 711 HE ARG 97 HE ARG 97 9.349 -2.495 5.079 712 HH11 ARG 97 2HH2 ARG 97 6.126 -2.712 3.684 713 HH12 ARG 97 1HH2 ARG 97 5.907 -4.373 4.127 714 HH21 ARG 97 2HH1 ARG 97 9.061 -4.685 5.664 715 HH22 ARG 97 1HH1 ARG 97 7.588 -5.502 5.261 716 H THR 98 H THR 98 13.137 -0.461 2.099 717 HA THR 98 HA THR 98 13.380 -1.276 -0.723 718 HB THR 98 HB THR 98 15.881 -0.753 -0.223 719 HG1 THR 98 1HG THR 98 15.596 -0.676 2.109 720 HG21 THR 98 1HG2 THR 98 14.318 1.772 0.268 721 HG22 THR 98 2HG2 THR 98 15.624 1.464 -0.902 722 HG23 THR 98 3HG2 THR 98 13.971 0.898 -1.243 723 H CYS 99 H CYS 99 14.115 -3.292 -1.229 724 HA CYS 99 HA CYS 99 13.764 -5.300 0.609 725 HB2 CYS 99 1HB CYS 99 13.680 -5.758 -1.753 726 HB3 CYS 99 2HB CYS 99 15.345 -5.258 -1.977 727 HG CYS 99 HG CYS 99 14.388 -7.620 0.131 728 H ASP 100 H ASP 100 16.934 -5.516 -0.887 729 HA ASP 100 HA ASP 100 18.944 -5.691 -0.098 730 HB2 ASP 100 1HB ASP 100 17.996 -3.256 0.921 731 HB3 ASP 100 2HB ASP 100 18.649 -4.044 2.343 732 H ARG 101 H ARG 101 20.277 -6.281 2.070 733 HA ARG 101 HA ARG 101 18.508 -7.974 3.644 734 HB2 ARG 101 1HB ARG 101 20.477 -9.463 3.980 735 HB3 ARG 101 2HB ARG 101 20.130 -9.258 2.275 736 HG2 ARG 101 1HG ARG 101 21.871 -7.138 2.778 737 HG3 ARG 101 2HG ARG 101 22.498 -8.389 3.834 738 HD2 ARG 101 1HD ARG 101 21.889 -9.680 1.353 739 HD3 ARG 101 2HD ARG 101 22.698 -8.183 0.935 740 HE ARG 101 HE ARG 101 24.070 -9.520 3.111 741 HH11 ARG 101 2HH2 ARG 101 23.620 -9.598 -0.378 742 HH12 ARG 101 1HH2 ARG 101 25.145 -10.359 -0.687 743 HH21 ARG 101 2HH1 ARG 101 26.083 -10.524 2.704 744 HH22 ARG 101 1HH1 ARG 101 26.556 -10.889 1.078 745 H PHE 102 H PHE 102 18.956 -5.176 4.250 746 HA PHE 102 HA PHE 102 20.674 -5.405 6.621 747 HB2 PHE 102 1HB PHE 102 19.759 -2.922 5.055 748 HB3 PHE 102 2HB PHE 102 20.979 -2.948 6.312 749 HD1 PHE 102 2HD PHE 102 22.728 -5.119 5.627 750 HD2 PHE 102 1HD PHE 102 20.750 -2.393 3.045 751 HE1 PHE 102 2HE PHE 102 24.508 -5.471 3.891 752 HE2 PHE 102 1HE PHE 102 22.529 -2.745 1.310 753 HZ PHE 102 HZ PHE 102 24.387 -4.280 1.754 754 H SER 103 H SER 103 17.626 -4.025 5.248 755 HA SER 103 HA SER 103 15.784 -3.343 6.177 756 HB2 SER 103 1HB SER 103 15.576 -5.707 6.811 757 HB3 SER 103 2HB SER 103 16.516 -5.441 8.266 758 HG SER 103 HG SER 103 14.107 -5.477 8.515 759 H ARG 104 H ARG 104 18.130 -1.776 6.786 760 HA ARG 104 HA ARG 104 17.612 -1.012 9.539 761 HB2 ARG 104 1HB ARG 104 19.810 0.176 9.407 762 HB3 ARG 104 2HB ARG 104 19.976 -1.529 9.038 763 HG2 ARG 104 1HG ARG 104 20.223 -1.132 6.699 764 HG3 ARG 104 2HG ARG 104 19.518 0.469 6.799 765 HD2 ARG 104 1HD ARG 104 21.783 1.025 6.648 766 HD3 ARG 104 2HD ARG 104 21.595 0.977 8.390 767 HE ARG 104 HE ARG 104 22.283 -1.642 7.343 768 HH11 ARG 104 2HH2 ARG 104 23.647 1.488 8.196 769 HH12 ARG 104 1HH2 ARG 104 25.233 0.858 8.494 770 HH21 ARG 104 2HH1 ARG 104 24.375 -2.473 7.736 771 HH22 ARG 104 1HH1 ARG 104 25.650 -1.410 8.231 772 H HIS 105 H HIS 105 17.615 1.409 9.999 773 HA HIS 105 HA HIS 105 16.872 3.445 9.659 774 HB2 HIS 105 1HB HIS 105 17.696 2.919 6.793 775 HB3 HIS 105 2HB HIS 105 17.140 4.476 7.373 776 HD1 HIS 105 1HD HIS 105 19.372 5.700 7.042 777 HD2 HIS 105 2HD HIS 105 19.670 2.315 9.502 778 HE1 HIS 105 1HE HIS 105 21.693 5.786 8.099 779 H SER 106 H SER 106 14.876 4.508 9.281 780 HA SER 106 HA SER 106 12.706 2.910 9.025 781 HB2 SER 106 1HB SER 106 12.828 5.856 8.246 782 HB3 SER 106 2HB SER 106 11.402 4.980 8.764 783 HG SER 106 HG SER 106 13.717 5.711 10.320 784 H VAL 107 H VAL 107 10.877 3.716 7.170 785 HA VAL 107 HA VAL 107 11.598 2.349 4.882 786 HB VAL 107 HB VAL 107 9.535 3.132 3.977 787 HG11 VAL 107 1HG1 VAL 107 8.426 1.844 5.420 788 HG12 VAL 107 2HG1 VAL 107 9.779 1.998 6.566 789 HG13 VAL 107 3HG1 VAL 107 8.423 3.149 6.630 790 HG21 VAL 107 1HG2 VAL 107 10.143 5.586 4.937 791 HG22 VAL 107 2HG2 VAL 107 8.508 5.108 4.420 792 HG23 VAL 107 3HG2 VAL 107 8.942 5.074 6.146 793 H ALA 108 H ALA 108 11.523 3.368 2.579 794 HA ALA 108 HA ALA 108 13.716 5.161 2.431 795 HB1 ALA 108 1HB ALA 108 12.897 3.239 0.831 796 HB2 ALA 108 2HB ALA 108 11.880 4.518 0.126 797 HB3 ALA 108 3HB ALA 108 13.650 4.698 0.144 798 H GLY 109 H GLY 109 10.215 5.475 2.594 799 HA2 GLY 109 1HA GLY 109 10.358 8.284 2.903 800 HA3 GLY 109 2HA GLY 109 9.817 7.894 1.282 801 H GLU 110 H GLU 110 8.559 8.892 4.048 802 HA GLU 110 HA GLU 110 6.360 6.980 4.009 803 HB2 GLU 110 1HB GLU 110 7.705 8.515 6.161 804 HB3 GLU 110 2HB GLU 110 5.955 8.559 6.253 805 HG2 GLU 110 1HG GLU 110 5.770 6.281 6.666 806 HG3 GLU 110 2HG GLU 110 7.170 5.876 5.693 807 H LEU 111 H LEU 111 4.500 7.635 3.022 808 HA LEU 111 HA LEU 111 4.095 10.536 2.787 809 HB2 LEU 111 1HB LEU 111 4.275 8.530 0.799 810 HB3 LEU 111 2HB LEU 111 2.594 9.020 0.868 811 HG LEU 111 HG LEU 111 4.760 11.102 0.715 812 HD11 LEU 111 1HD1 LEU 111 5.460 10.361 -1.259 813 HD12 LEU 111 2HD1 LEU 111 4.209 9.095 -1.300 814 HD13 LEU 111 3HD1 LEU 111 3.841 10.730 -1.900 815 HD21 LEU 111 1HD2 LEU 111 2.757 12.079 -0.743 816 HD22 LEU 111 2HD2 LEU 111 1.816 10.966 0.279 817 HD23 LEU 111 3HD2 LEU 111 2.814 12.235 1.030 818 H ARG 112 H ARG 112 1.975 11.360 3.142 819 HA ARG 112 HA ARG 112 0.310 9.446 4.570 820 HB2 ARG 112 1HB ARG 112 1.001 11.118 6.141 821 HB3 ARG 112 2HB ARG 112 0.821 12.417 4.979 822 HG2 ARG 112 1HG ARG 112 -1.049 12.526 6.540 823 HG3 ARG 112 2HG ARG 112 -1.669 12.038 4.975 824 HD2 ARG 112 1HD ARG 112 -2.602 10.233 5.994 825 HD3 ARG 112 2HD ARG 112 -0.984 9.599 6.223 826 HE ARG 112 HE ARG 112 -2.633 10.986 8.248 827 HH11 ARG 112 2HH2 ARG 112 0.532 9.713 7.384 828 HH12 ARG 112 1HH2 ARG 112 1.091 9.641 9.022 829 HH21 ARG 112 2HH1 ARG 112 -1.896 10.890 10.409 830 HH22 ARG 112 1HH1 ARG 112 -0.299 10.315 10.754 831 H LEU 113 H LEU 113 -2.013 9.532 4.202 832 HA LEU 113 HA LEU 113 -2.973 11.391 2.207 833 HB2 LEU 113 1HB LEU 113 -3.133 8.413 1.734 834 HB3 LEU 113 2HB LEU 113 -3.823 9.672 0.729 835 HG LEU 113 HG LEU 113 -0.852 9.337 1.221 836 HD11 LEU 113 1HD1 LEU 113 -0.776 8.412 -1.083 837 HD12 LEU 113 2HD1 LEU 113 -1.638 7.371 0.076 838 HD13 LEU 113 3HD1 LEU 113 -2.555 8.360 -1.086 839 HD21 LEU 113 1HD2 LEU 113 -2.028 10.823 -1.096 840 HD22 LEU 113 2HD2 LEU 113 -1.963 11.609 0.499 841 HD23 LEU 113 3HD2 LEU 113 -0.465 11.035 -0.272 842 H GLY 114 H GLY 114 -5.462 10.861 1.845 843 HA2 GLY 114 1HA GLY 114 -6.584 9.992 4.440 844 HA3 GLY 114 2HA GLY 114 -7.089 11.475 3.655 845 H LEU 115 H LEU 115 -8.791 9.181 4.312 846 HA LEU 115 HA LEU 115 -9.447 8.258 1.601 847 HB2 LEU 115 1HB LEU 115 -10.476 6.897 4.046 848 HB3 LEU 115 2HB LEU 115 -10.168 6.253 2.446 849 HG LEU 115 HG LEU 115 -8.501 5.256 3.675 850 HD11 LEU 115 1HD1 LEU 115 -6.733 7.571 3.223 851 HD12 LEU 115 2HD1 LEU 115 -6.630 5.901 2.616 852 HD13 LEU 115 3HD1 LEU 115 -7.701 7.075 1.814 853 HD21 LEU 115 1HD2 LEU 115 -7.637 7.697 5.175 854 HD22 LEU 115 2HD2 LEU 115 -9.113 6.843 5.686 855 HD23 LEU 115 3HD2 LEU 115 -7.557 5.979 5.634 856 H ASP 116 H ASP 116 -10.500 9.956 4.521 857 HA ASP 116 HA ASP 116 -13.204 9.869 4.146 858 HB2 ASP 116 1HB ASP 116 -12.527 10.858 6.160 859 HB3 ASP 116 2HB ASP 116 -11.272 11.811 5.394 860 H GLY 117 H GLY 117 -10.669 11.426 2.301 861 HA2 GLY 117 1HA GLY 117 -10.961 12.314 0.181 862 HA3 GLY 117 2HA GLY 117 -12.654 12.616 0.517 863 H THR 118 H THR 118 -9.367 13.608 1.721 864 HA THR 118 HA THR 118 -10.282 16.383 1.620 865 HB THR 118 HB THR 118 -10.675 16.013 3.919 866 HG1 THR 118 1HG THR 118 -7.768 16.329 3.812 867 HG21 THR 118 1HG2 THR 118 -9.976 14.076 4.906 868 HG22 THR 118 2HG2 THR 118 -8.901 13.740 3.528 869 HG23 THR 118 3HG2 THR 118 -8.314 14.712 4.898 870 H SER 119 H SER 119 -7.353 14.682 2.894 871 HA SER 119 HA SER 119 -5.614 16.502 1.845 872 HB2 SER 119 1HB SER 119 -5.348 13.591 2.638 873 HB3 SER 119 2HB SER 119 -3.971 14.436 1.958 874 HG SER 119 HG SER 119 -5.058 14.610 4.498 875 H VAL 120 H VAL 120 -6.856 13.405 0.444 876 HA VAL 120 HA VAL 120 -6.145 14.418 -2.189 877 HB VAL 120 HB VAL 120 -5.330 12.011 -2.678 878 HG11 VAL 120 1HG1 VAL 120 -3.299 13.419 -1.018 879 HG12 VAL 120 2HG1 VAL 120 -3.205 12.827 -2.694 880 HG13 VAL 120 3HG1 VAL 120 -4.047 14.354 -2.335 881 HG21 VAL 120 1HG2 VAL 120 -5.112 12.133 0.336 882 HG22 VAL 120 2HG2 VAL 120 -5.818 10.854 -0.681 883 HG23 VAL 120 3HG2 VAL 120 -4.054 11.095 -0.650 884 HA PRO 121 HA PRO 121 -10.096 12.774 -2.878 885 HB2 PRO 121 1HB PRO 121 -10.251 13.140 -5.582 886 HB3 PRO 121 2HB PRO 121 -10.577 14.413 -4.423 887 HG2 PRO 121 1HG PRO 121 -8.197 14.029 -6.133 888 HG3 PRO 121 2HG PRO 121 -8.731 15.478 -5.305 889 HD2 PRO 121 1HD PRO 121 -6.598 13.733 -4.508 890 HD3 PRO 121 2HD PRO 121 -7.208 15.115 -3.621 891 H LEU 122 H LEU 122 -11.343 11.119 -4.168 892 HA LEU 122 HA LEU 122 -9.525 8.851 -4.421 893 HB2 LEU 122 1HB LEU 122 -12.507 9.089 -4.046 894 HB3 LEU 122 2HB LEU 122 -11.719 7.574 -4.438 895 HG LEU 122 HG LEU 122 -10.982 9.219 -2.009 896 HD11 LEU 122 1HD1 LEU 122 -12.916 8.667 -1.071 897 HD12 LEU 122 2HD1 LEU 122 -13.384 7.685 -2.480 898 HD13 LEU 122 3HD1 LEU 122 -12.420 6.960 -1.171 899 HD21 LEU 122 1HD2 LEU 122 -10.343 6.737 -1.321 900 HD22 LEU 122 2HD2 LEU 122 -10.205 6.547 -3.085 901 HD23 LEU 122 3HD2 LEU 122 -9.233 7.777 -2.244 902 H GLY 123 H GLY 123 -9.817 7.342 -6.263 903 HA2 GLY 123 1HA GLY 123 -9.859 6.938 -8.472 904 HA3 GLY 123 2HA GLY 123 -11.318 7.907 -8.531 905 H ALA 124 H ALA 124 -8.517 9.548 -7.240 906 HA ALA 124 HA ALA 124 -8.078 10.806 -9.862 907 HB1 ALA 124 1HB ALA 124 -9.188 11.963 -7.554 908 HB2 ALA 124 2HB ALA 124 -7.497 12.518 -7.572 909 HB3 ALA 124 3HB ALA 124 -8.548 12.821 -8.976 910 H ALA 125 H ALA 125 -6.121 10.108 -10.573 911 HA ALA 125 HA ALA 125 -4.122 9.263 -8.708 912 HB1 ALA 125 1HB ALA 125 -3.468 9.718 -11.583 913 HB2 ALA 125 2HB ALA 125 -3.150 8.306 -10.546 914 HB3 ALA 125 3HB ALA 125 -4.770 8.554 -11.240 915 H GLN 126 H GLN 126 -2.619 10.527 -7.736 916 HA GLN 126 HA GLN 126 -1.787 12.908 -9.151 917 HB2 GLN 126 1HB GLN 126 -1.903 14.126 -6.841 918 HB3 GLN 126 2HB GLN 126 -3.374 13.961 -7.779 919 HG2 GLN 126 1HG GLN 126 -3.167 11.574 -6.222 920 HG3 GLN 126 2HG GLN 126 -2.759 12.890 -5.139 921 HE21 GLN 126 1HE2 GLN 126 -4.272 14.930 -6.369 922 HE22 GLN 126 2HE2 GLN 126 -5.957 14.631 -6.101 923 H TRP 127 H TRP 127 0.357 13.644 -8.550 924 HA TRP 127 HA TRP 127 1.968 11.498 -7.507 925 HB2 TRP 127 1HB TRP 127 2.491 14.126 -8.849 926 HB3 TRP 127 2HB TRP 127 3.781 13.327 -7.973 927 HD1 TRP 127 HD TRP 127 1.651 12.924 -11.148 928 HE1 TRP 127 1HE TRP 127 2.668 11.105 -12.766 929 HE3 TRP 127 3HE TRP 127 5.172 11.236 -7.890 930 HZ2 TRP 127 2HZ TRP 127 4.784 9.206 -12.508 931 HZ3 TRP 127 3HZ TRP 127 6.673 9.398 -8.652 932 HH2 TRP 127 HH TRP 127 6.521 8.388 -10.873 933 H GLY 128 H GLY 128 3.550 11.892 -5.717 934 HA2 GLY 128 1HA GLY 128 2.949 14.110 -3.931 935 HA3 GLY 128 2HA GLY 128 2.536 12.514 -3.338 936 H GLU 129 H GLU 129 4.731 14.639 -2.674 937 HA GLU 129 HA GLU 129 7.101 13.131 -3.264 938 HB2 GLU 129 1HB GLU 129 7.391 15.490 -3.426 939 HB3 GLU 129 2HB GLU 129 6.543 15.794 -1.923 940 HG2 GLU 129 1HG GLU 129 8.400 14.609 -0.680 941 HG3 GLU 129 2HG GLU 129 9.260 14.421 -2.196 942 H LEU 130 H LEU 130 8.246 11.843 -1.816 943 HA LEU 130 HA LEU 130 6.844 10.935 0.464 944 HB2 LEU 130 1HB LEU 130 9.627 10.435 -0.587 945 HB3 LEU 130 2HB LEU 130 8.984 9.652 0.843 946 HG LEU 130 HG LEU 130 7.629 9.467 -1.854 947 HD11 LEU 130 1HD1 LEU 130 9.290 8.195 -2.594 948 HD12 LEU 130 2HD1 LEU 130 10.123 8.266 -1.023 949 HD13 LEU 130 3HD1 LEU 130 8.889 7.019 -1.320 950 HD21 LEU 130 1HD2 LEU 130 6.031 8.456 -0.696 951 HD22 LEU 130 2HD2 LEU 130 7.192 7.171 -0.285 952 HD23 LEU 130 3HD2 LEU 130 6.983 8.564 0.804 953 H LYS 131 H LYS 131 6.974 11.519 2.592 954 HA LYS 131 HA LYS 131 8.184 13.992 3.198 955 HB2 LYS 131 1HB LYS 131 7.042 11.884 5.057 956 HB3 LYS 131 2HB LYS 131 7.382 13.552 5.473 957 HG2 LYS 131 1HG LYS 131 5.418 12.646 3.314 958 HG3 LYS 131 2HG LYS 131 4.970 13.192 4.918 959 HD2 LYS 131 1HD LYS 131 4.948 15.324 4.152 960 HD3 LYS 131 2HD LYS 131 6.677 15.222 3.888 961 HE2 LYS 131 1HE LYS 131 6.355 14.400 1.605 962 HE3 LYS 131 2HE LYS 131 4.629 14.225 1.855 963 HZ1 LYS 131 1HZ LYS 131 4.319 16.390 1.543 964 HZ2 LYS 131 2HZ LYS 131 5.627 16.846 2.407 965 HZ3 LYS 131 3HZ LYS 131 5.796 16.392 0.848 966 H THR 132 H THR 132 9.171 10.581 3.480 967 HA THR 132 HA THR 132 11.000 9.635 4.379 968 HB THR 132 HB THR 132 13.014 10.420 3.247 969 HG1 THR 132 1HG THR 132 13.246 12.620 3.240 970 HG21 THR 132 1HG2 THR 132 10.794 9.888 1.789 971 HG22 THR 132 2HG2 THR 132 10.963 11.613 1.385 972 HG23 THR 132 3HG2 THR 132 12.288 10.481 1.024 973 H SER 133 H SER 133 13.464 10.608 5.310 974 HA SER 133 HA SER 133 14.257 10.988 7.327 975 HB2 SER 133 1HB SER 133 13.027 13.601 6.434 976 HB3 SER 133 2HB SER 133 13.802 13.522 8.004 977 HG SER 133 HG SER 133 15.716 12.603 6.824 978 H GLY 134 H GLY 134 13.016 9.506 8.633 979 HA2 GLY 134 1HA GLY 134 11.673 10.609 10.807 980 HA3 GLY 134 2HA GLY 134 10.450 10.115 9.652 981 HA PRO 135 HA PRO 135 12.032 6.471 12.052 982 HB2 PRO 135 1HB PRO 135 10.103 6.200 13.970 983 HB3 PRO 135 2HB PRO 135 11.642 6.987 14.262 984 HG2 PRO 135 1HG PRO 135 8.974 8.209 13.899 985 HG3 PRO 135 2HG PRO 135 10.418 8.913 14.600 986 HD2 PRO 135 1HD PRO 135 9.361 9.416 11.982 987 HD3 PRO 135 2HD PRO 135 10.865 10.029 12.641 988 H SER 136 H SER 136 11.483 4.330 11.682 989 HA SER 136 HA SER 136 9.894 3.884 9.571 990 HB2 SER 136 1HB SER 136 11.440 2.323 11.170 991 HB3 SER 136 2HB SER 136 9.863 1.767 11.694 992 HG SER 136 HG SER 136 11.021 1.659 9.060 993 H SER 137 H SER 137 7.691 3.242 9.211 994 HA SER 137 HA SER 137 5.543 3.456 9.496 995 HB2 SER 137 1HB SER 137 6.503 1.869 11.813 996 HB3 SER 137 2HB SER 137 4.908 2.560 12.043 997 HG SER 137 HG SER 137 5.790 0.787 9.940 998 H GLY 138 H GLY 138 5.136 5.694 9.461 999 HA2 GLY 138 1HA GLY 138 4.145 6.884 11.826 1000 HA3 GLY 138 2HA GLY 138 5.748 7.504 11.484 Start of MODEL 16 1 H1 GLY 1 H GLY 1 18.524 6.675 22.195 2 HA2 GLY 1 1HA GLY 1 20.365 5.842 24.344 3 HA3 GLY 1 2HA GLY 1 19.939 4.908 22.924 4 H SER 2 H SER 2 22.559 6.185 24.150 5 HA SER 2 HA SER 2 23.531 8.140 22.586 6 HB2 SER 2 1HB SER 2 25.786 7.200 23.064 7 HB3 SER 2 2HB SER 2 24.763 7.209 24.486 8 HG SER 2 HG SER 2 24.623 5.023 24.478 9 H SER 3 H SER 3 23.614 8.349 20.382 10 HA SER 3 HA SER 3 24.902 6.422 18.827 11 HB2 SER 3 1HB SER 3 23.056 5.643 17.426 12 HB3 SER 3 2HB SER 3 22.734 5.221 19.096 13 HG SER 3 HG SER 3 21.422 7.089 17.412 14 H GLY 4 H GLY 4 25.172 7.192 16.575 15 HA2 GLY 4 1HA GLY 4 24.013 9.794 15.940 16 HA3 GLY 4 2HA GLY 4 25.750 9.738 16.160 17 H SER 5 H SER 5 24.217 10.321 13.682 18 HA SER 5 HA SER 5 25.671 8.542 12.009 19 HB2 SER 5 1HB SER 5 22.646 8.632 11.656 20 HB3 SER 5 2HB SER 5 23.786 7.673 10.733 21 HG SER 5 HG SER 5 22.989 6.242 12.229 22 H SER 6 H SER 6 25.245 9.212 9.580 23 HA SER 6 HA SER 6 24.413 11.993 9.486 24 HB2 SER 6 1HB SER 6 27.076 11.326 9.519 25 HB3 SER 6 2HB SER 6 26.765 11.274 7.795 26 HG SER 6 HG SER 6 25.864 13.460 7.974 27 H GLY 7 H GLY 7 24.258 12.706 7.031 28 HA2 GLY 7 1HA GLY 7 23.707 10.486 5.223 29 HA3 GLY 7 2HA GLY 7 22.332 11.462 5.700 30 H SER 8 H SER 8 22.205 12.015 3.350 31 HA SER 8 HA SER 8 24.098 14.154 2.760 32 HB2 SER 8 1HB SER 8 23.443 11.774 1.220 33 HB3 SER 8 2HB SER 8 22.994 13.202 0.310 34 HG SER 8 HG SER 8 25.516 13.333 1.577 35 H TRP 9 H TRP 9 23.071 15.680 0.950 36 HA TRP 9 HA TRP 9 20.230 16.033 1.629 37 HB2 TRP 9 1HB TRP 9 22.281 18.192 1.104 38 HB3 TRP 9 2HB TRP 9 20.577 18.439 1.433 39 HD1 TRP 9 HD TRP 9 20.320 16.409 3.958 40 HE1 TRP 9 1HE TRP 9 21.358 16.998 6.312 41 HE3 TRP 9 3HE TRP 9 23.694 19.788 2.210 42 HZ2 TRP 9 2HZ TRP 9 23.427 18.772 7.159 43 HZ3 TRP 9 3HZ TRP 9 25.185 20.904 3.867 44 HH2 TRP 9 HH TRP 9 25.091 20.444 6.266 45 H ASN 10 H ASN 10 18.845 16.550 -0.129 46 HA ASN 10 HA ASN 10 19.754 17.310 -2.615 47 HB2 ASN 10 1HB ASN 10 20.048 14.468 -2.108 48 HB3 ASN 10 2HB ASN 10 18.774 14.675 -3.293 49 HD21 ASN 10 1HD2 ASN 10 21.634 13.711 -3.363 50 HD22 ASN 10 2HD2 ASN 10 22.382 14.565 -4.672 51 H GLN 11 H GLN 11 17.818 16.566 -4.345 52 HA GLN 11 HA GLN 11 15.551 17.752 -3.489 53 HB2 GLN 11 1HB GLN 11 16.444 16.392 -5.824 54 HB3 GLN 11 2HB GLN 11 14.895 15.677 -5.425 55 HG2 GLN 11 1HG GLN 11 13.730 17.606 -5.889 56 HG3 GLN 11 2HG GLN 11 14.952 18.641 -5.178 57 HE21 GLN 11 1HE2 GLN 11 14.971 20.087 -6.843 58 HE22 GLN 11 2HE2 GLN 11 15.629 19.758 -8.411 59 H ALA 12 H ALA 12 13.268 16.708 -3.324 60 HA ALA 12 HA ALA 12 13.465 14.629 -1.306 61 HB1 ALA 12 1HB ALA 12 11.872 15.941 -0.411 62 HB2 ALA 12 2HB ALA 12 11.726 16.880 -1.916 63 HB3 ALA 12 3HB ALA 12 10.778 15.389 -1.703 64 HA PRO 13 HA PRO 13 12.038 11.512 -3.942 65 HB2 PRO 13 1HB PRO 13 10.776 9.822 -2.204 66 HB3 PRO 13 2HB PRO 13 12.517 9.872 -2.398 67 HG2 PRO 13 1HG PRO 13 10.866 10.939 -0.190 68 HG3 PRO 13 2HG PRO 13 12.585 10.599 -0.210 69 HD2 PRO 13 1HD PRO 13 11.344 13.178 -0.398 70 HD3 PRO 13 2HD PRO 13 13.056 12.826 -0.535 71 H LYS 14 H LYS 14 10.438 10.947 -5.362 72 HA LYS 14 HA LYS 14 7.877 12.203 -4.665 73 HB2 LYS 14 1HB LYS 14 9.528 12.210 -7.089 74 HB3 LYS 14 2HB LYS 14 7.863 11.766 -7.403 75 HG2 LYS 14 1HG LYS 14 7.395 13.849 -5.739 76 HG3 LYS 14 2HG LYS 14 8.971 14.347 -6.321 77 HD2 LYS 14 1HD LYS 14 7.048 13.403 -8.416 78 HD3 LYS 14 2HD LYS 14 6.631 14.909 -7.624 79 HE2 LYS 14 1HE LYS 14 9.362 14.351 -8.876 80 HE3 LYS 14 2HE LYS 14 8.063 15.183 -9.706 81 HZ1 LYS 14 1HZ LYS 14 8.073 16.792 -7.871 82 HZ2 LYS 14 2HZ LYS 14 9.382 16.054 -7.232 83 HZ3 LYS 14 3HZ LYS 14 9.481 16.766 -8.698 84 H LEU 15 H LEU 15 5.919 11.047 -5.103 85 HA LEU 15 HA LEU 15 6.186 8.294 -5.947 86 HB2 LEU 15 1HB LEU 15 6.657 8.006 -3.646 87 HB3 LEU 15 2HB LEU 15 5.371 9.092 -3.161 88 HG LEU 15 HG LEU 15 4.797 6.764 -2.714 89 HD11 LEU 15 1HD1 LEU 15 2.909 7.288 -4.918 90 HD12 LEU 15 2HD1 LEU 15 2.621 7.074 -3.175 91 HD13 LEU 15 3HD1 LEU 15 3.164 8.649 -3.801 92 HD21 LEU 15 1HD2 LEU 15 5.642 6.405 -5.524 93 HD22 LEU 15 2HD2 LEU 15 5.717 5.287 -4.141 94 HD23 LEU 15 3HD2 LEU 15 4.190 5.500 -5.030 95 H HIS 16 H HIS 16 4.380 7.616 -7.054 96 HA HIS 16 HA HIS 16 2.168 9.535 -7.057 97 HB2 HIS 16 1HB HIS 16 3.439 9.333 -9.176 98 HB3 HIS 16 2HB HIS 16 3.048 7.626 -9.242 99 HD1 HIS 16 1HD HIS 16 1.195 7.185 -10.841 100 HD2 HIS 16 2HD HIS 16 0.727 10.867 -8.887 101 HE1 HIS 16 1HE HIS 16 -0.960 8.207 -11.747 102 H TYR 17 H TYR 17 0.069 8.813 -6.686 103 HA TYR 17 HA TYR 17 -0.378 5.948 -6.520 104 HB2 TYR 17 1HB TYR 17 -1.338 6.355 -4.177 105 HB3 TYR 17 2HB TYR 17 0.395 6.602 -4.251 106 HD1 TYR 17 2HD TYR 17 -2.776 8.572 -4.667 107 HD2 TYR 17 1HD TYR 17 1.267 8.517 -3.269 108 HE1 TYR 17 2HE TYR 17 -3.062 10.916 -3.725 109 HE2 TYR 17 1HE TYR 17 0.967 10.861 -2.332 110 HH TYR 17 HH TYR 17 -0.363 12.534 -2.067 111 H CYS 18 H CYS 18 -2.636 5.374 -6.578 112 HA CYS 18 HA CYS 18 -4.367 7.652 -7.210 113 HB2 CYS 18 1HB CYS 18 -3.806 6.548 -9.299 114 HB3 CYS 18 2HB CYS 18 -4.232 4.980 -8.643 115 HG CYS 18 HG CYS 18 -5.946 6.871 -10.259 116 H LEU 19 H LEU 19 -5.551 7.758 -5.294 117 HA LEU 19 HA LEU 19 -6.249 5.374 -3.882 118 HB2 LEU 19 1HB LEU 19 -7.140 8.236 -3.499 119 HB3 LEU 19 2HB LEU 19 -7.414 6.917 -2.379 120 HG LEU 19 HG LEU 19 -4.921 8.448 -2.953 121 HD11 LEU 19 1HD1 LEU 19 -5.089 7.397 -0.308 122 HD12 LEU 19 2HD1 LEU 19 -5.254 9.082 -0.857 123 HD13 LEU 19 3HD1 LEU 19 -6.689 8.033 -0.760 124 HD21 LEU 19 1HD2 LEU 19 -3.659 6.529 -1.755 125 HD22 LEU 19 2HD2 LEU 19 -4.987 5.503 -2.348 126 HD23 LEU 19 3HD2 LEU 19 -3.973 6.402 -3.503 127 H ASP 20 H ASP 20 -8.225 4.306 -3.794 128 HA ASP 20 HA ASP 20 -10.472 5.438 -5.108 129 HB2 ASP 20 1HB ASP 20 -8.925 3.120 -6.311 130 HB3 ASP 20 2HB ASP 20 -10.658 3.227 -6.549 131 H TYR 21 H TYR 21 -12.097 4.841 -3.667 132 HA TYR 21 HA TYR 21 -11.740 2.328 -2.201 133 HB2 TYR 21 1HB TYR 21 -12.033 4.664 -1.099 134 HB3 TYR 21 2HB TYR 21 -13.627 4.735 -1.824 135 HD1 TYR 21 1HD TYR 21 -11.541 2.896 0.640 136 HD2 TYR 21 2HD TYR 21 -15.493 3.629 -0.827 137 HE1 TYR 21 1HE TYR 21 -12.520 1.695 2.656 138 HE2 TYR 21 2HE TYR 21 -16.458 2.426 1.194 139 HH TYR 21 HH TYR 21 -14.958 0.385 2.961 140 H ASP 22 H ASP 22 -12.857 0.596 -2.936 141 HA ASP 22 HA ASP 22 -15.171 1.121 -4.576 142 HB2 ASP 22 1HB ASP 22 -13.158 -0.649 -4.906 143 HB3 ASP 22 2HB ASP 22 -14.202 -1.660 -3.927 144 H CYS 23 H CYS 23 -16.692 1.743 -2.867 145 HA CYS 23 HA CYS 23 -17.084 0.671 -0.463 146 HB2 CYS 23 1HB CYS 23 -19.282 1.501 -0.507 147 HB3 CYS 23 2HB CYS 23 -18.408 2.519 -1.634 148 HG CYS 23 HG CYS 23 -20.062 2.239 -3.311 149 H GLN 24 H GLN 24 -17.935 -0.744 -3.650 150 HA GLN 24 HA GLN 24 -19.561 -2.769 -2.800 151 HB2 GLN 24 1HB GLN 24 -17.524 -3.059 -5.041 152 HB3 GLN 24 2HB GLN 24 -19.097 -3.823 -4.920 153 HG2 GLN 24 1HG GLN 24 -19.598 -1.029 -4.700 154 HG3 GLN 24 2HG GLN 24 -18.409 -1.187 -5.978 155 HE21 GLN 24 1HE2 GLN 24 -21.304 -0.508 -5.959 156 HE22 GLN 24 2HE2 GLN 24 -22.065 -1.577 -7.090 157 H LYS 25 H LYS 25 -15.951 -2.697 -3.110 158 HA LYS 25 HA LYS 25 -15.805 -5.335 -1.917 159 HB2 LYS 25 1HB LYS 25 -13.445 -3.620 -2.661 160 HB3 LYS 25 2HB LYS 25 -13.566 -5.367 -2.600 161 HG2 LYS 25 1HG LYS 25 -15.469 -4.942 -4.463 162 HG3 LYS 25 2HG LYS 25 -14.560 -3.465 -4.718 163 HD2 LYS 25 1HD LYS 25 -12.766 -4.567 -5.638 164 HD3 LYS 25 2HD LYS 25 -12.854 -5.887 -4.488 165 HE2 LYS 25 1HE LYS 25 -15.197 -6.203 -6.006 166 HE3 LYS 25 2HE LYS 25 -14.019 -5.683 -7.193 167 HZ1 LYS 25 1HZ LYS 25 -13.304 -7.762 -5.281 168 HZ2 LYS 25 2HZ LYS 25 -14.195 -8.145 -6.595 169 HZ3 LYS 25 3HZ LYS 25 -12.708 -7.494 -6.778 170 H ALA 26 H ALA 26 -15.774 -1.974 -1.011 171 HA ALA 26 HA ALA 26 -15.461 -0.942 0.920 172 HB1 ALA 26 1HB ALA 26 -16.654 -1.967 2.525 173 HB2 ALA 26 2HB ALA 26 -16.646 -3.442 1.528 174 HB3 ALA 26 3HB ALA 26 -15.379 -3.188 2.752 175 H GLU 27 H GLU 27 -13.157 -1.635 -0.635 176 HA GLU 27 HA GLU 27 -11.240 -1.695 1.534 177 HB2 GLU 27 1HB GLU 27 -11.034 -3.421 -0.973 178 HB3 GLU 27 2HB GLU 27 -9.753 -3.220 0.205 179 HG2 GLU 27 1HG GLU 27 -12.064 -3.904 1.720 180 HG3 GLU 27 2HG GLU 27 -12.100 -4.957 0.320 181 H LEU 28 H LEU 28 -9.818 -0.009 1.343 182 HA LEU 28 HA LEU 28 -10.025 1.724 -0.878 183 HB2 LEU 28 1HB LEU 28 -9.557 2.369 1.485 184 HB3 LEU 28 2HB LEU 28 -7.957 1.673 1.323 185 HG LEU 28 HG LEU 28 -8.090 4.171 1.086 186 HD11 LEU 28 1HD1 LEU 28 -6.111 3.861 0.139 187 HD12 LEU 28 2HD1 LEU 28 -6.612 2.262 -0.460 188 HD13 LEU 28 3HD1 LEU 28 -6.908 3.714 -1.446 189 HD21 LEU 28 1HD2 LEU 28 -9.388 3.531 -1.577 190 HD22 LEU 28 2HD2 LEU 28 -10.200 4.269 -0.176 191 HD23 LEU 28 3HD2 LEU 28 -8.882 5.136 -0.999 192 H PHE 29 H PHE 29 -8.665 2.053 -2.640 193 HA PHE 29 HA PHE 29 -6.571 0.015 -2.940 194 HB2 PHE 29 1HB PHE 29 -8.500 1.371 -4.916 195 HB3 PHE 29 2HB PHE 29 -7.161 0.372 -5.447 196 HD1 PHE 29 2HD PHE 29 -10.324 0.313 -3.525 197 HD2 PHE 29 1HD PHE 29 -7.348 -1.980 -5.498 198 HE1 PHE 29 2HE PHE 29 -11.771 -1.729 -3.334 199 HE2 PHE 29 1HE PHE 29 -8.795 -4.022 -5.307 200 HZ PHE 29 HZ PHE 29 -10.989 -3.872 -4.228 201 H VAL 30 H VAL 30 -4.610 0.650 -3.996 202 HA VAL 30 HA VAL 30 -4.341 3.544 -4.393 203 HB VAL 30 HB VAL 30 -2.355 1.740 -2.998 204 HG11 VAL 30 1HG1 VAL 30 -1.999 4.591 -2.607 205 HG12 VAL 30 2HG1 VAL 30 -0.850 3.375 -3.217 206 HG13 VAL 30 3HG1 VAL 30 -1.973 4.180 -4.339 207 HG21 VAL 30 1HG2 VAL 30 -4.625 2.462 -1.830 208 HG22 VAL 30 2HG2 VAL 30 -3.079 2.483 -0.948 209 HG23 VAL 30 3HG2 VAL 30 -3.749 3.995 -1.605 210 H THR 31 H THR 31 -4.819 2.757 -6.661 211 HA THR 31 HA THR 31 -2.751 1.159 -7.888 212 HB THR 31 HB THR 31 -4.214 1.646 -9.934 213 HG1 THR 31 1HG THR 31 -5.441 3.449 -9.539 214 HG21 THR 31 1HG2 THR 31 -5.619 0.680 -7.389 215 HG22 THR 31 2HG2 THR 31 -6.302 0.528 -9.025 216 HG23 THR 31 3HG2 THR 31 -4.809 -0.343 -8.600 217 H ARG 32 H ARG 32 -2.061 2.141 -10.214 218 HA ARG 32 HA ARG 32 -0.657 3.469 -11.182 219 HB2 ARG 32 1HB ARG 32 -2.016 5.760 -9.676 220 HB3 ARG 32 2HB ARG 32 -1.118 5.897 -11.175 221 HG2 ARG 32 1HG ARG 32 -3.424 3.960 -11.120 222 HG3 ARG 32 2HG ARG 32 -3.810 5.669 -11.127 223 HD2 ARG 32 1HD ARG 32 -2.297 5.942 -13.156 224 HD3 ARG 32 2HD ARG 32 -2.087 4.202 -13.181 225 HE ARG 32 HE ARG 32 -4.431 5.670 -14.073 226 HH11 ARG 32 2HH2 ARG 32 -3.384 2.610 -12.688 227 HH12 ARG 32 1HH2 ARG 32 -4.739 1.722 -13.301 228 HH21 ARG 32 2HH1 ARG 32 -6.219 4.500 -14.882 229 HH22 ARG 32 1HH1 ARG 32 -6.363 2.804 -14.557 230 H LEU 33 H LEU 33 1.170 2.589 -9.946 231 HA LEU 33 HA LEU 33 2.105 4.399 -7.830 232 HB2 LEU 33 1HB LEU 33 2.445 1.447 -8.281 233 HB3 LEU 33 2HB LEU 33 3.571 2.346 -7.284 234 HG LEU 33 HG LEU 33 0.583 2.273 -6.792 235 HD11 LEU 33 1HD1 LEU 33 1.863 0.843 -4.761 236 HD12 LEU 33 2HD1 LEU 33 0.835 0.190 -6.060 237 HD13 LEU 33 3HD1 LEU 33 2.602 0.258 -6.271 238 HD21 LEU 33 1HD2 LEU 33 1.595 2.887 -4.416 239 HD22 LEU 33 2HD2 LEU 33 2.907 3.546 -5.421 240 HD23 LEU 33 3HD2 LEU 33 1.240 4.127 -5.642 241 H GLU 34 H GLU 34 3.888 5.610 -8.219 242 HA GLU 34 HA GLU 34 5.858 4.630 -10.032 243 HB2 GLU 34 1HB GLU 34 4.326 7.181 -10.708 244 HB3 GLU 34 2HB GLU 34 5.776 6.637 -11.527 245 HG2 GLU 34 1HG GLU 34 4.561 4.476 -12.107 246 HG3 GLU 34 2HG GLU 34 3.104 5.162 -11.416 247 H ALA 35 H ALA 35 7.491 4.830 -8.517 248 HA ALA 35 HA ALA 35 7.600 7.194 -6.865 249 HB1 ALA 35 1HB ALA 35 9.329 4.700 -7.102 250 HB2 ALA 35 2HB ALA 35 9.603 6.000 -5.917 251 HB3 ALA 35 3HB ALA 35 8.102 5.045 -5.860 252 H VAL 36 H VAL 36 9.495 8.617 -6.790 253 HA VAL 36 HA VAL 36 11.128 8.552 -9.208 254 HB VAL 36 HB VAL 36 9.257 10.723 -8.331 255 HG11 VAL 36 1HG1 VAL 36 11.009 12.167 -8.433 256 HG12 VAL 36 2HG1 VAL 36 11.999 11.074 -9.429 257 HG13 VAL 36 3HG1 VAL 36 10.709 12.042 -10.183 258 HG21 VAL 36 1HG2 VAL 36 8.649 10.792 -10.653 259 HG22 VAL 36 2HG2 VAL 36 10.016 9.745 -11.100 260 HG23 VAL 36 3HG2 VAL 36 8.667 9.087 -10.145 261 H THR 37 H THR 37 12.612 7.645 -7.520 262 HA THR 37 HA THR 37 14.210 9.768 -6.453 263 HB THR 37 HB THR 37 12.542 9.651 -4.653 264 HG1 THR 37 1HG THR 37 14.746 9.763 -3.941 265 HG21 THR 37 1HG2 THR 37 12.067 7.583 -3.449 266 HG22 THR 37 2HG2 THR 37 11.760 7.260 -5.173 267 HG23 THR 37 3HG2 THR 37 13.265 6.687 -4.415 268 H SER 38 H SER 38 16.281 8.989 -5.612 269 HA SER 38 HA SER 38 16.801 6.295 -6.602 270 HB2 SER 38 1HB SER 38 19.079 7.091 -7.238 271 HB3 SER 38 2HB SER 38 17.811 7.920 -8.120 272 HG SER 38 HG SER 38 18.667 9.735 -7.395 273 H ASN 39 H ASN 39 17.778 4.907 -5.139 274 HA ASN 39 HA ASN 39 19.315 6.037 -3.003 275 HB2 ASN 39 1HB ASN 39 16.633 5.643 -2.480 276 HB3 ASN 39 2HB ASN 39 17.264 4.065 -2.054 277 HD21 ASN 39 1HD2 ASN 39 18.018 7.522 -1.662 278 HD22 ASN 39 2HD2 ASN 39 18.532 7.451 -0.010 279 H HIS 40 H HIS 40 20.706 4.366 -2.023 280 HA HIS 40 HA HIS 40 21.933 2.548 -2.044 281 HB2 HIS 40 1HB HIS 40 19.248 1.337 -2.697 282 HB3 HIS 40 2HB HIS 40 20.683 0.341 -2.554 283 HD1 HIS 40 1HD HIS 40 17.930 1.286 -0.589 284 HD2 HIS 40 2HD HIS 40 22.058 1.167 0.146 285 HE1 HIS 40 1HE HIS 40 18.203 1.210 1.947 286 H ASP 41 H ASP 41 22.979 0.834 -3.471 287 HA ASP 41 HA ASP 41 22.380 1.088 -6.252 288 HB2 ASP 41 1HB ASP 41 24.209 2.893 -5.216 289 HB3 ASP 41 2HB ASP 41 25.265 1.574 -5.684 290 H GLY 42 H GLY 42 23.138 -0.802 -7.365 291 HA2 GLY 42 1HA GLY 42 25.062 -2.451 -7.300 292 HA3 GLY 42 2HA GLY 42 24.531 -2.771 -5.661 293 H GLY 43 H GLY 43 21.780 -2.810 -5.765 294 HA2 GLY 43 1HA GLY 43 20.373 -3.865 -7.790 295 HA3 GLY 43 2HA GLY 43 21.300 -5.252 -7.254 296 H CYS 44 H CYS 44 18.877 -2.800 -6.294 297 HA CYS 44 HA CYS 44 18.095 -4.619 -4.136 298 HB2 CYS 44 1HB CYS 44 18.672 -1.710 -4.014 299 HB3 CYS 44 2HB CYS 44 17.207 -2.223 -3.200 300 HG CYS 44 HG CYS 44 18.342 -2.846 -1.220 301 H ASP 45 H ASP 45 15.821 -4.955 -3.967 302 HA ASP 45 HA ASP 45 14.381 -4.038 -6.293 303 HB2 ASP 45 1HB ASP 45 14.189 -6.305 -4.366 304 HB3 ASP 45 2HB ASP 45 12.641 -5.665 -4.880 305 H CYS 46 H CYS 46 13.470 -1.989 -5.908 306 HA CYS 46 HA CYS 46 12.553 -1.345 -3.257 307 HB2 CYS 46 1HB CYS 46 12.136 0.890 -4.172 308 HB3 CYS 46 2HB CYS 46 13.765 0.352 -4.530 309 HG CYS 46 HG CYS 46 12.043 -0.871 -6.772 310 H TYR 47 H TYR 47 10.322 -0.920 -2.727 311 HA TYR 47 HA TYR 47 8.323 -1.334 -4.768 312 HB2 TYR 47 1HB TYR 47 7.329 -3.232 -3.401 313 HB3 TYR 47 2HB TYR 47 8.919 -3.647 -4.011 314 HD1 TYR 47 2HD TYR 47 10.902 -3.582 -2.464 315 HD2 TYR 47 1HD TYR 47 6.894 -3.093 -1.050 316 HE1 TYR 47 2HE TYR 47 11.667 -4.100 -0.095 317 HE2 TYR 47 1HE TYR 47 7.672 -3.613 1.314 318 HH TYR 47 HH TYR 47 9.896 -5.103 2.189 319 H VAL 48 H VAL 48 6.179 -0.698 -4.058 320 HA VAL 48 HA VAL 48 6.340 1.180 -1.848 321 HB VAL 48 HB VAL 48 4.109 0.689 -3.827 322 HG11 VAL 48 1HG1 VAL 48 4.549 2.581 -1.604 323 HG12 VAL 48 2HG1 VAL 48 4.018 3.334 -3.127 324 HG13 VAL 48 3HG1 VAL 48 3.039 2.049 -2.381 325 HG21 VAL 48 1HG2 VAL 48 5.379 3.049 -4.560 326 HG22 VAL 48 2HG2 VAL 48 6.725 1.944 -4.190 327 HG23 VAL 48 3HG2 VAL 48 5.500 1.481 -5.395 328 H GLN 49 H GLN 49 4.627 1.244 -0.188 329 HA GLN 49 HA GLN 49 3.184 -1.237 0.103 330 HB2 GLN 49 1HB GLN 49 5.270 -1.698 1.297 331 HB3 GLN 49 2HB GLN 49 5.159 -0.184 2.172 332 HG2 GLN 49 1HG GLN 49 2.749 -1.216 2.866 333 HG3 GLN 49 2HG GLN 49 3.589 -2.722 2.554 334 HE21 GLN 49 1HE2 GLN 49 3.217 -3.056 4.842 335 HE22 GLN 49 2HE2 GLN 49 4.340 -2.437 6.006 336 H GLY 50 H GLY 50 1.101 -0.761 0.660 337 HA2 GLY 50 1HA GLY 50 0.554 1.934 1.690 338 HA3 GLY 50 2HA GLY 50 -0.579 0.851 0.906 339 H SER 51 H SER 51 -0.086 2.267 3.776 340 HA SER 51 HA SER 51 -0.989 -0.099 5.222 341 HB2 SER 51 1HB SER 51 0.025 1.262 7.267 342 HB3 SER 51 2HB SER 51 1.047 0.235 6.281 343 HG SER 51 HG SER 51 2.200 1.969 5.827 344 H VAL 52 H VAL 52 -2.927 0.146 6.342 345 HA VAL 52 HA VAL 52 -3.974 2.889 6.496 346 HB VAL 52 HB VAL 52 -5.051 0.454 5.286 347 HG11 VAL 52 1HG1 VAL 52 -7.351 0.726 6.009 348 HG12 VAL 52 2HG1 VAL 52 -6.315 0.433 7.426 349 HG13 VAL 52 3HG1 VAL 52 -6.893 2.079 7.071 350 HG21 VAL 52 1HG2 VAL 52 -6.037 3.318 5.137 351 HG22 VAL 52 2HG2 VAL 52 -4.670 2.692 4.184 352 HG23 VAL 52 3HG2 VAL 52 -6.299 2.008 3.960 353 H ALA 53 H ALA 53 -5.451 3.285 8.323 354 HA ALA 53 HA ALA 53 -5.233 1.302 10.458 355 HB1 ALA 53 1HB ALA 53 -4.235 4.159 10.492 356 HB2 ALA 53 2HB ALA 53 -4.751 3.349 11.990 357 HB3 ALA 53 3HB ALA 53 -3.409 2.678 11.032 358 H ASN 54 H ASN 54 -7.329 0.815 10.881 359 HA ASN 54 HA ASN 54 -9.219 3.019 10.701 360 HB2 ASN 54 1HB ASN 54 -10.804 0.793 10.922 361 HB3 ASN 54 2HB ASN 54 -10.248 1.418 9.383 362 HD21 ASN 54 1HD2 ASN 54 -9.387 0.003 8.086 363 HD22 ASN 54 2HD2 ASN 54 -8.533 -1.441 8.514 364 H ARG 55 H ARG 55 -11.297 2.192 12.297 365 HA ARG 55 HA ARG 55 -10.135 2.382 14.880 366 HB2 ARG 55 1HB ARG 55 -12.779 2.774 13.639 367 HB3 ARG 55 2HB ARG 55 -12.916 1.950 15.180 368 HG2 ARG 55 1HG ARG 55 -11.636 3.736 16.304 369 HG3 ARG 55 2HG ARG 55 -11.328 4.528 14.771 370 HD2 ARG 55 1HD ARG 55 -13.451 5.432 14.650 371 HD3 ARG 55 2HD ARG 55 -14.213 4.012 15.339 372 HE ARG 55 HE ARG 55 -13.402 6.365 16.784 373 HH11 ARG 55 2HH2 ARG 55 -13.529 2.863 17.103 374 HH12 ARG 55 1HH2 ARG 55 -13.635 2.896 18.832 375 HH21 ARG 55 2HH1 ARG 55 -13.542 6.410 19.064 376 HH22 ARG 55 1HH1 ARG 55 -13.643 4.928 19.955 377 H THR 56 H THR 56 -10.365 -0.185 12.884 378 HA THR 56 HA THR 56 -11.257 -2.045 14.987 379 HB THR 56 HB THR 56 -11.820 -3.551 13.134 380 HG1 THR 56 1HG THR 56 -10.821 -1.376 11.450 381 HG21 THR 56 1HG2 THR 56 -12.647 -0.653 12.633 382 HG22 THR 56 2HG2 THR 56 -13.239 -1.993 11.622 383 HG23 THR 56 3HG2 THR 56 -13.622 -1.952 13.360 384 H GLY 57 H GLY 57 -8.537 -0.797 13.257 385 HA2 GLY 57 1HA GLY 57 -6.584 -1.925 14.702 386 HA3 GLY 57 2HA GLY 57 -6.941 -3.201 13.554 387 H SER 58 H SER 58 -5.587 -3.193 11.820 388 HA SER 58 HA SER 58 -5.298 -0.834 10.303 389 HB2 SER 58 1HB SER 58 -2.708 -0.904 10.468 390 HB3 SER 58 2HB SER 58 -3.589 -0.127 11.769 391 HG SER 58 HG SER 58 -3.435 -2.171 12.972 392 H VAL 59 H VAL 59 -3.934 -1.290 8.288 393 HA VAL 59 HA VAL 59 -3.614 -4.164 7.833 394 HB VAL 59 HB VAL 59 -4.568 -3.712 5.519 395 HG11 VAL 59 1HG1 VAL 59 -6.150 -4.974 6.469 396 HG12 VAL 59 2HG1 VAL 59 -5.900 -4.212 8.058 397 HG13 VAL 59 3HG1 VAL 59 -7.002 -3.465 6.876 398 HG21 VAL 59 1HG2 VAL 59 -5.272 -1.146 6.911 399 HG22 VAL 59 2HG2 VAL 59 -4.732 -1.425 5.238 400 HG23 VAL 59 3HG2 VAL 59 -6.399 -1.829 5.714 401 H GLU 60 H GLU 60 -2.456 -4.396 5.521 402 HA GLU 60 HA GLU 60 -0.773 -2.218 4.870 403 HB2 GLU 60 1HB GLU 60 0.387 -4.587 6.388 404 HB3 GLU 60 2HB GLU 60 1.376 -3.561 5.368 405 HG2 GLU 60 1HG GLU 60 0.323 -1.572 6.743 406 HG3 GLU 60 2HG GLU 60 -0.126 -2.811 7.898 407 H ALA 61 H ALA 61 0.129 -2.489 2.788 408 HA ALA 61 HA ALA 61 0.069 -5.140 1.618 409 HB1 ALA 61 1HB ALA 61 -1.657 -2.820 0.690 410 HB2 ALA 61 2HB ALA 61 -1.236 -4.192 -0.362 411 HB3 ALA 61 3HB ALA 61 -2.173 -4.466 1.126 412 H GLN 62 H GLN 62 0.985 -4.959 -0.738 413 HA GLN 62 HA GLN 62 2.546 -2.646 -1.226 414 HB2 GLN 62 1HB GLN 62 4.751 -3.967 -1.224 415 HB3 GLN 62 2HB GLN 62 4.108 -3.517 0.343 416 HG2 GLN 62 1HG GLN 62 4.280 -5.716 0.898 417 HG3 GLN 62 2HG GLN 62 2.874 -5.977 -0.117 418 HE21 GLN 62 1HE2 GLN 62 6.407 -5.746 -0.164 419 HE22 GLN 62 2HE2 GLN 62 6.693 -6.866 -1.453 420 H THR 63 H THR 63 4.038 -3.100 -3.257 421 HA THR 63 HA THR 63 2.437 -4.767 -5.064 422 HB THR 63 HB THR 63 3.571 -3.305 -6.807 423 HG1 THR 63 1HG THR 63 5.457 -2.800 -5.508 424 HG21 THR 63 1HG2 THR 63 1.484 -2.564 -5.098 425 HG22 THR 63 2HG2 THR 63 2.644 -1.228 -4.904 426 HG23 THR 63 3HG2 THR 63 2.017 -1.635 -6.519 427 H ALA 64 H ALA 64 4.006 -5.450 -7.070 428 HA ALA 64 HA ALA 64 5.703 -7.412 -5.856 429 HB1 ALA 64 1HB ALA 64 5.040 -6.716 -8.745 430 HB2 ALA 64 2HB ALA 64 6.004 -8.125 -8.239 431 HB3 ALA 64 3HB ALA 64 4.296 -7.995 -7.755 432 H LEU 65 H LEU 65 7.912 -7.384 -5.661 433 HA LEU 65 HA LEU 65 9.317 -5.069 -5.657 434 HB2 LEU 65 1HB LEU 65 10.140 -7.936 -6.010 435 HB3 LEU 65 2HB LEU 65 11.335 -6.655 -6.007 436 HG LEU 65 HG LEU 65 11.294 -7.486 -3.811 437 HD11 LEU 65 1HD1 LEU 65 11.199 -5.524 -2.742 438 HD12 LEU 65 2HD1 LEU 65 10.714 -4.851 -4.317 439 HD13 LEU 65 3HD1 LEU 65 9.474 -5.292 -3.117 440 HD21 LEU 65 1HD2 LEU 65 8.410 -7.084 -3.259 441 HD22 LEU 65 2HD2 LEU 65 8.830 -8.447 -4.324 442 HD23 LEU 65 3HD2 LEU 65 9.532 -8.345 -2.692 443 H LYS 66 H LYS 66 10.748 -3.971 -7.080 444 HA LYS 66 HA LYS 66 10.758 -4.876 -9.843 445 HB2 LYS 66 1HB LYS 66 9.501 -2.308 -8.882 446 HB3 LYS 66 2HB LYS 66 10.192 -2.427 -10.488 447 HG2 LYS 66 1HG LYS 66 8.639 -4.790 -10.163 448 HG3 LYS 66 2HG LYS 66 7.663 -3.500 -9.489 449 HD2 LYS 66 1HD LYS 66 8.209 -2.167 -11.650 450 HD3 LYS 66 2HD LYS 66 8.825 -3.673 -12.300 451 HE2 LYS 66 1HE LYS 66 5.978 -3.053 -11.415 452 HE3 LYS 66 2HE LYS 66 6.526 -3.525 -13.011 453 HZ1 LYS 66 1HZ LYS 66 6.788 -5.267 -10.664 454 HZ2 LYS 66 2HZ LYS 66 5.503 -5.313 -11.670 455 HZ3 LYS 66 3HZ LYS 66 6.993 -5.679 -12.231 456 H LYS 67 H LYS 67 12.556 -4.074 -11.047 457 HA LYS 67 HA LYS 67 14.852 -3.677 -9.532 458 HB2 LYS 67 1HB LYS 67 15.894 -3.983 -11.494 459 HB3 LYS 67 2HB LYS 67 14.298 -4.359 -12.111 460 HG2 LYS 67 1HG LYS 67 15.431 -1.526 -12.080 461 HG3 LYS 67 2HG LYS 67 15.629 -2.611 -13.441 462 HD2 LYS 67 1HD LYS 67 12.866 -2.062 -12.304 463 HD3 LYS 67 2HD LYS 67 13.599 -0.939 -13.432 464 HE2 LYS 67 1HE LYS 67 13.970 -2.931 -15.014 465 HE3 LYS 67 2HE LYS 67 12.993 -3.891 -13.921 466 HZ1 LYS 67 1HZ LYS 67 11.571 -1.603 -14.361 467 HZ2 LYS 67 2HZ LYS 67 12.157 -2.010 -15.830 468 HZ3 LYS 67 3HZ LYS 67 11.260 -3.080 -14.983 469 H ARG 68 H ARG 68 15.983 -1.880 -8.843 470 HA ARG 68 HA ARG 68 14.549 0.403 -8.379 471 HB2 ARG 68 1HB ARG 68 16.720 -0.448 -7.250 472 HB3 ARG 68 2HB ARG 68 17.595 0.281 -8.582 473 HG2 ARG 68 1HG ARG 68 15.817 2.307 -7.737 474 HG3 ARG 68 2HG ARG 68 16.359 1.566 -6.245 475 HD2 ARG 68 1HD ARG 68 17.969 3.280 -6.707 476 HD3 ARG 68 2HD ARG 68 18.766 1.782 -7.146 477 HE ARG 68 HE ARG 68 17.324 2.985 -9.387 478 HH11 ARG 68 2HH2 ARG 68 20.348 3.004 -7.588 479 HH12 ARG 68 1HH2 ARG 68 21.276 3.639 -8.905 480 HH21 ARG 68 2HH1 ARG 68 18.548 3.822 -11.126 481 HH22 ARG 68 1HH1 ARG 68 20.246 4.107 -10.931 482 H GLN 69 H GLN 69 14.093 2.218 -9.613 483 HA GLN 69 HA GLN 69 15.865 2.808 -11.817 484 HB2 GLN 69 1HB GLN 69 12.978 1.997 -12.070 485 HB3 GLN 69 2HB GLN 69 13.563 3.261 -13.133 486 HG2 GLN 69 1HG GLN 69 14.845 0.505 -12.822 487 HG3 GLN 69 2HG GLN 69 13.796 0.980 -14.143 488 HE21 GLN 69 1HE2 GLN 69 16.569 0.092 -14.158 489 HE22 GLN 69 2HE2 GLN 69 17.508 1.328 -14.926 490 H LEU 70 H LEU 70 15.673 5.056 -12.572 491 HA LEU 70 HA LEU 70 15.322 6.862 -10.514 492 HB2 LEU 70 1HB LEU 70 15.831 6.930 -13.403 493 HB3 LEU 70 2HB LEU 70 15.020 8.359 -12.794 494 HG LEU 70 HG LEU 70 17.449 8.639 -12.853 495 HD11 LEU 70 1HD1 LEU 70 16.374 8.541 -10.020 496 HD12 LEU 70 2HD1 LEU 70 17.770 9.487 -10.590 497 HD13 LEU 70 3HD1 LEU 70 16.136 9.866 -11.185 498 HD21 LEU 70 1HD2 LEU 70 18.992 7.319 -11.730 499 HD22 LEU 70 2HD2 LEU 70 17.764 6.613 -10.652 500 HD23 LEU 70 3HD2 LEU 70 17.834 6.124 -12.362 501 H HIS 71 H HIS 71 12.989 5.347 -12.660 502 HA HIS 71 HA HIS 71 10.893 6.675 -11.203 503 HB2 HIS 71 1HB HIS 71 11.254 8.263 -13.000 504 HB3 HIS 71 2HB HIS 71 11.183 6.989 -14.202 505 HD1 HIS 71 1HD HIS 71 9.114 7.741 -15.470 506 HD2 HIS 71 2HD HIS 71 8.468 7.408 -11.338 507 HE1 HIS 71 1HE HIS 71 6.603 8.023 -15.113 508 H THR 72 H THR 72 10.833 4.416 -10.412 509 HA THR 72 HA THR 72 10.228 2.325 -12.259 510 HB THR 72 HB THR 72 9.981 2.528 -9.210 511 HG1 THR 72 1HG THR 72 12.129 2.935 -10.164 512 HG21 THR 72 1HG2 THR 72 8.838 0.503 -10.024 513 HG22 THR 72 2HG2 THR 72 10.182 0.156 -11.138 514 HG23 THR 72 3HG2 THR 72 10.429 0.031 -9.380 515 H THR 73 H THR 73 8.262 1.181 -12.544 516 HA THR 73 HA THR 73 5.874 2.595 -11.598 517 HB THR 73 HB THR 73 4.954 2.456 -13.926 518 HG1 THR 73 1HG THR 73 6.104 0.985 -15.119 519 HG21 THR 73 1HG2 THR 73 6.455 4.471 -13.184 520 HG22 THR 73 2HG2 THR 73 7.736 3.686 -14.138 521 HG23 THR 73 3HG2 THR 73 6.234 4.218 -14.931 522 H TRP 74 H TRP 74 3.975 1.301 -11.443 523 HA TRP 74 HA TRP 74 4.564 -1.577 -11.594 524 HB2 TRP 74 1HB TRP 74 3.138 -0.026 -9.436 525 HB3 TRP 74 2HB TRP 74 2.961 -1.759 -9.633 526 HD1 TRP 74 HD TRP 74 5.069 -3.290 -8.888 527 HE1 TRP 74 1HE TRP 74 7.262 -2.896 -7.475 528 HE3 TRP 74 3HE TRP 74 4.861 1.789 -9.006 529 HZ2 TRP 74 2HZ TRP 74 8.633 -0.557 -6.584 530 HZ3 TRP 74 3HZ TRP 74 6.666 3.053 -7.839 531 HH2 TRP 74 HH TRP 74 8.506 1.961 -6.658 532 H GLU 75 H GLU 75 2.882 -2.866 -12.462 533 HA GLU 75 HA GLU 75 0.983 -1.358 -13.982 534 HB2 GLU 75 1HB GLU 75 2.068 -4.133 -13.982 535 HB3 GLU 75 2HB GLU 75 0.398 -3.997 -14.494 536 HG2 GLU 75 1HG GLU 75 1.053 -2.240 -16.157 537 HG3 GLU 75 2HG GLU 75 2.724 -2.387 -15.649 538 H GLU 76 H GLU 76 1.132 -3.152 -10.974 539 HA GLU 76 HA GLU 76 -1.769 -3.304 -10.916 540 HB2 GLU 76 1HB GLU 76 -1.482 -4.851 -9.031 541 HB3 GLU 76 2HB GLU 76 -0.519 -5.385 -10.394 542 HG2 GLU 76 1HG GLU 76 1.479 -4.179 -9.355 543 HG3 GLU 76 2HG GLU 76 0.489 -3.871 -7.942 544 H GLY 77 H GLY 77 -2.198 -3.239 -8.123 545 HA2 GLY 77 1HA GLY 77 -1.026 -0.728 -7.175 546 HA3 GLY 77 2HA GLY 77 -2.759 -0.776 -7.427 547 H LEU 78 H LEU 78 -2.299 -0.249 -4.919 548 HA LEU 78 HA LEU 78 -2.166 -2.801 -3.484 549 HB2 LEU 78 1HB LEU 78 -1.932 -0.046 -2.292 550 HB3 LEU 78 2HB LEU 78 -1.504 -1.584 -1.569 551 HG LEU 78 HG LEU 78 -0.081 -0.635 -4.045 552 HD11 LEU 78 1HD1 LEU 78 -0.121 0.795 -1.585 553 HD12 LEU 78 2HD1 LEU 78 1.472 0.016 -1.744 554 HD13 LEU 78 3HD1 LEU 78 0.873 1.088 -3.032 555 HD21 LEU 78 1HD2 LEU 78 1.788 -1.939 -2.990 556 HD22 LEU 78 2HD2 LEU 78 0.627 -2.479 -1.753 557 HD23 LEU 78 3HD2 LEU 78 0.367 -2.901 -3.463 558 H VAL 79 H VAL 79 -3.689 -3.042 -1.608 559 HA VAL 79 HA VAL 79 -6.073 -1.421 -1.750 560 HB VAL 79 HB VAL 79 -7.058 -2.767 -3.225 561 HG11 VAL 79 1HG1 VAL 79 -6.254 -4.977 -3.906 562 HG12 VAL 79 2HG1 VAL 79 -4.916 -3.804 -3.862 563 HG13 VAL 79 3HG1 VAL 79 -5.102 -4.991 -2.549 564 HG21 VAL 79 1HG2 VAL 79 -8.246 -4.651 -2.301 565 HG22 VAL 79 2HG2 VAL 79 -7.054 -4.820 -0.990 566 HG23 VAL 79 3HG2 VAL 79 -8.118 -3.394 -1.046 567 H LEU 80 H LEU 80 -6.919 -1.187 0.276 568 HA LEU 80 HA LEU 80 -6.096 -3.185 2.263 569 HB2 LEU 80 1HB LEU 80 -5.995 -0.180 2.444 570 HB3 LEU 80 2HB LEU 80 -6.043 -1.200 3.869 571 HG LEU 80 HG LEU 80 -3.784 -0.797 3.624 572 HD11 LEU 80 1HD1 LEU 80 -3.759 -3.232 1.887 573 HD12 LEU 80 2HD1 LEU 80 -2.820 -2.856 3.352 574 HD13 LEU 80 3HD1 LEU 80 -4.532 -3.323 3.488 575 HD21 LEU 80 1HD2 LEU 80 -4.401 -0.021 1.058 576 HD22 LEU 80 2HD2 LEU 80 -2.772 -0.060 1.775 577 HD23 LEU 80 3HD2 LEU 80 -3.347 -1.432 0.797 578 HA PRO 81 HA PRO 81 -10.336 -3.289 3.097 579 HB2 PRO 81 1HB PRO 81 -10.319 -4.609 5.490 580 HB3 PRO 81 2HB PRO 81 -10.180 -5.424 3.946 581 HG2 PRO 81 1HG PRO 81 -8.077 -4.881 5.951 582 HG3 PRO 81 2HG PRO 81 -8.065 -6.036 4.633 583 HD2 PRO 81 1HD PRO 81 -6.709 -3.510 4.713 584 HD3 PRO 81 2HD PRO 81 -6.792 -4.612 3.353 585 H LEU 82 H LEU 82 -11.751 -1.751 3.615 586 HA LEU 82 HA LEU 82 -11.529 -0.610 6.242 587 HB2 LEU 82 1HB LEU 82 -9.880 0.732 5.164 588 HB3 LEU 82 2HB LEU 82 -10.914 1.012 3.776 589 HG LEU 82 HG LEU 82 -12.510 2.204 5.390 590 HD11 LEU 82 1HD1 LEU 82 -10.042 2.186 7.150 591 HD12 LEU 82 2HD1 LEU 82 -11.538 3.107 7.438 592 HD13 LEU 82 3HD1 LEU 82 -11.567 1.327 7.475 593 HD21 LEU 82 1HD2 LEU 82 -10.297 3.082 3.905 594 HD22 LEU 82 2HD2 LEU 82 -11.687 4.044 4.462 595 HD23 LEU 82 3HD2 LEU 82 -10.213 3.953 5.455 596 H ALA 83 H ALA 83 -13.505 0.243 6.943 597 HA ALA 83 HA ALA 83 -15.720 -0.373 5.162 598 HB1 ALA 83 1HB ALA 83 -15.231 -0.762 7.875 599 HB2 ALA 83 2HB ALA 83 -16.342 0.628 7.852 600 HB3 ALA 83 3HB ALA 83 -16.811 -0.899 7.067 601 H GLU 84 H GLU 84 -17.227 1.157 4.437 602 HA GLU 84 HA GLU 84 -16.283 3.662 3.919 603 HB2 GLU 84 1HB GLU 84 -18.244 2.369 2.847 604 HB3 GLU 84 2HB GLU 84 -19.239 2.982 4.153 605 HG2 GLU 84 1HG GLU 84 -17.963 5.295 3.307 606 HG3 GLU 84 2HG GLU 84 -18.115 4.413 1.800 607 H GLU 85 H GLU 85 -17.603 2.381 6.869 608 HA GLU 85 HA GLU 85 -18.447 4.946 7.824 609 HB2 GLU 85 1HB GLU 85 -19.285 3.792 9.715 610 HB3 GLU 85 2HB GLU 85 -19.521 2.665 8.394 611 HG2 GLU 85 1HG GLU 85 -16.959 2.003 9.212 612 HG3 GLU 85 2HG GLU 85 -17.687 2.483 10.732 613 H GLU 86 H GLU 86 -15.510 3.177 7.552 614 HA GLU 86 HA GLU 86 -14.380 4.648 9.796 615 HB2 GLU 86 1HB GLU 86 -13.126 2.314 8.293 616 HB3 GLU 86 2HB GLU 86 -12.573 3.012 9.802 617 HG2 GLU 86 1HG GLU 86 -15.158 2.409 10.489 618 HG3 GLU 86 2HG GLU 86 -14.870 1.161 9.293 619 H LEU 87 H LEU 87 -14.948 5.106 6.611 620 HA LEU 87 HA LEU 87 -12.491 5.591 5.437 621 HB2 LEU 87 1HB LEU 87 -15.291 6.512 5.024 622 HB3 LEU 87 2HB LEU 87 -14.016 7.402 4.214 623 HG LEU 87 HG LEU 87 -14.391 4.406 3.968 624 HD11 LEU 87 1HD1 LEU 87 -15.821 4.645 2.241 625 HD12 LEU 87 2HD1 LEU 87 -16.205 6.183 3.051 626 HD13 LEU 87 3HD1 LEU 87 -15.071 6.159 1.680 627 HD21 LEU 87 1HD2 LEU 87 -12.132 5.739 3.477 628 HD22 LEU 87 2HD2 LEU 87 -12.673 4.366 2.483 629 HD23 LEU 87 3HD2 LEU 87 -12.957 6.033 1.928 630 HA PRO 88 HA PRO 88 -12.758 9.919 7.313 631 HB2 PRO 88 1HB PRO 88 -14.649 10.490 9.200 632 HB3 PRO 88 2HB PRO 88 -14.851 10.859 7.499 633 HG2 PRO 88 1HG PRO 88 -16.095 8.698 9.087 634 HG3 PRO 88 2HG PRO 88 -16.588 9.342 7.534 635 HD2 PRO 88 1HD PRO 88 -15.213 6.870 8.008 636 HD3 PRO 88 2HD PRO 88 -15.604 7.570 6.449 637 H THR 89 H THR 89 -13.089 7.081 9.109 638 HA THR 89 HA THR 89 -11.359 8.249 11.191 639 HB THR 89 HB THR 89 -12.467 6.856 12.755 640 HG1 THR 89 1HG THR 89 -12.600 4.795 11.953 641 HG21 THR 89 1HG2 THR 89 -14.695 7.441 12.577 642 HG22 THR 89 2HG2 THR 89 -14.149 8.378 11.165 643 HG23 THR 89 3HG2 THR 89 -14.835 6.751 10.942 644 H ALA 90 H ALA 90 -10.382 7.433 8.595 645 HA ALA 90 HA ALA 90 -8.510 5.438 9.553 646 HB1 ALA 90 1HB ALA 90 -10.176 4.013 8.550 647 HB2 ALA 90 2HB ALA 90 -10.294 5.065 7.119 648 HB3 ALA 90 3HB ALA 90 -8.812 4.123 7.411 649 H THR 91 H THR 91 -6.529 5.402 8.240 650 HA THR 91 HA THR 91 -6.315 7.551 6.278 651 HB THR 91 HB THR 91 -4.245 7.372 8.483 652 HG1 THR 91 1HG THR 91 -6.812 8.800 8.452 653 HG21 THR 91 1HG2 THR 91 -3.582 9.104 7.074 654 HG22 THR 91 2HG2 THR 91 -5.231 9.365 6.459 655 HG23 THR 91 3HG2 THR 91 -4.761 10.014 8.048 656 H LEU 92 H LEU 92 -4.905 7.132 4.630 657 HA LEU 92 HA LEU 92 -3.620 4.503 4.799 658 HB2 LEU 92 1HB LEU 92 -5.217 4.556 3.067 659 HB3 LEU 92 2HB LEU 92 -4.692 6.131 2.508 660 HG LEU 92 HG LEU 92 -4.051 3.881 1.250 661 HD11 LEU 92 1HD1 LEU 92 -1.840 5.894 1.433 662 HD12 LEU 92 2HD1 LEU 92 -2.563 5.111 0.007 663 HD13 LEU 92 3HD1 LEU 92 -3.443 6.407 0.854 664 HD21 LEU 92 1HD2 LEU 92 -2.804 3.250 3.511 665 HD22 LEU 92 2HD2 LEU 92 -2.183 2.762 1.916 666 HD23 LEU 92 3HD2 LEU 92 -1.489 4.174 2.748 667 H THR 93 H THR 93 -1.463 4.451 5.093 668 HA THR 93 HA THR 93 0.042 6.852 4.284 669 HB THR 93 HB THR 93 0.158 5.005 6.688 670 HG1 THR 93 1HG THR 93 -0.386 6.994 7.493 671 HG21 THR 93 1HG2 THR 93 2.454 6.470 5.353 672 HG22 THR 93 2HG2 THR 93 2.355 6.448 7.130 673 HG23 THR 93 3HG2 THR 93 2.476 4.919 6.226 674 H LEU 94 H LEU 94 1.364 6.621 2.602 675 HA LEU 94 HA LEU 94 1.898 3.951 1.653 676 HB2 LEU 94 1HB LEU 94 1.992 6.700 0.603 677 HB3 LEU 94 2HB LEU 94 3.262 5.648 0.009 678 HG LEU 94 HG LEU 94 1.809 4.278 -1.135 679 HD11 LEU 94 1HD1 LEU 94 -0.777 4.464 -0.564 680 HD12 LEU 94 2HD1 LEU 94 0.315 3.383 0.334 681 HD13 LEU 94 3HD1 LEU 94 -0.137 4.962 1.020 682 HD21 LEU 94 1HD2 LEU 94 -0.215 6.233 -1.595 683 HD22 LEU 94 2HD2 LEU 94 1.336 7.075 -1.367 684 HD23 LEU 94 3HD2 LEU 94 1.185 5.808 -2.609 685 H THR 95 H THR 95 4.048 3.098 1.278 686 HA THR 95 HA THR 95 6.244 4.471 2.579 687 HB THR 95 HB THR 95 6.478 1.972 3.741 688 HG1 THR 95 1HG THR 95 4.420 1.171 3.469 689 HG21 THR 95 1HG2 THR 95 6.684 3.641 5.352 690 HG22 THR 95 2HG2 THR 95 5.371 4.615 4.649 691 HG23 THR 95 3HG2 THR 95 4.987 3.207 5.668 692 H LEU 96 H LEU 96 8.136 4.126 1.550 693 HA LEU 96 HA LEU 96 8.063 2.052 -0.524 694 HB2 LEU 96 1HB LEU 96 8.254 4.159 -1.533 695 HB3 LEU 96 2HB LEU 96 9.406 4.734 -0.345 696 HG LEU 96 HG LEU 96 11.060 3.054 -1.253 697 HD11 LEU 96 1HD1 LEU 96 10.606 2.262 -3.599 698 HD12 LEU 96 2HD1 LEU 96 9.648 1.468 -2.326 699 HD13 LEU 96 3HD1 LEU 96 8.904 2.720 -3.350 700 HD21 LEU 96 1HD2 LEU 96 11.857 4.522 -2.855 701 HD22 LEU 96 2HD2 LEU 96 10.229 4.941 -3.439 702 HD23 LEU 96 3HD2 LEU 96 10.800 5.565 -1.873 703 H ARG 97 H ARG 97 8.827 0.230 0.512 704 HA ARG 97 HA ARG 97 11.146 0.550 2.180 705 HB2 ARG 97 1HB ARG 97 9.234 -1.738 1.582 706 HB3 ARG 97 2HB ARG 97 10.759 -2.062 2.382 707 HG2 ARG 97 1HG ARG 97 10.101 -1.062 4.349 708 HG3 ARG 97 2HG ARG 97 9.247 0.231 3.531 709 HD2 ARG 97 1HD ARG 97 7.598 -1.141 4.690 710 HD3 ARG 97 2HD ARG 97 7.393 -1.395 2.968 711 HE ARG 97 HE ARG 97 8.175 -3.609 3.200 712 HH11 ARG 97 2HH2 ARG 97 8.723 -1.813 6.176 713 HH12 ARG 97 1HH2 ARG 97 9.139 -3.218 7.099 714 HH21 ARG 97 2HH1 ARG 97 8.724 -5.464 4.417 715 HH22 ARG 97 1HH1 ARG 97 9.140 -5.309 6.091 716 H THR 98 H THR 98 13.001 -1.106 1.879 717 HA THR 98 HA THR 98 13.395 -1.655 -0.990 718 HB THR 98 HB THR 98 15.863 -1.129 -0.416 719 HG1 THR 98 1HG THR 98 14.466 0.178 1.800 720 HG21 THR 98 1HG2 THR 98 14.872 0.680 -1.590 721 HG22 THR 98 2HG2 THR 98 13.639 0.939 -0.332 722 HG23 THR 98 3HG2 THR 98 15.322 1.443 -0.046 723 H CYS 99 H CYS 99 13.998 -3.676 -1.550 724 HA CYS 99 HA CYS 99 13.941 -5.632 0.516 725 HB2 CYS 99 1HB CYS 99 13.099 -5.772 -1.971 726 HB3 CYS 99 2HB CYS 99 14.752 -6.237 -2.318 727 HG CYS 99 HG CYS 99 14.151 -8.526 -1.987 728 H ASP 100 H ASP 100 15.718 -6.955 1.219 729 HA ASP 100 HA ASP 100 18.225 -6.858 0.069 730 HB2 ASP 100 1HB ASP 100 17.877 -4.480 1.261 731 HB3 ASP 100 2HB ASP 100 18.274 -5.385 2.708 732 H ARG 101 H ARG 101 19.865 -8.013 1.586 733 HA ARG 101 HA ARG 101 18.929 -10.268 2.572 734 HB2 ARG 101 1HB ARG 101 21.348 -9.706 2.367 735 HB3 ARG 101 2HB ARG 101 21.236 -8.638 3.752 736 HG2 ARG 101 1HG ARG 101 21.740 -10.413 5.071 737 HG3 ARG 101 2HG ARG 101 20.164 -11.076 4.686 738 HD2 ARG 101 1HD ARG 101 22.370 -11.494 2.674 739 HD3 ARG 101 2HD ARG 101 22.448 -12.420 4.159 740 HE ARG 101 HE ARG 101 19.785 -12.626 3.197 741 HH11 ARG 101 2HH2 ARG 101 23.023 -13.583 2.205 742 HH12 ARG 101 1HH2 ARG 101 22.480 -14.967 1.317 743 HH21 ARG 101 2HH1 ARG 101 19.068 -14.453 2.026 744 HH22 ARG 101 1HH1 ARG 101 20.215 -15.466 1.215 745 H PHE 102 H PHE 102 19.778 -7.448 4.729 746 HA PHE 102 HA PHE 102 17.849 -8.517 6.660 747 HB2 PHE 102 1HB PHE 102 20.287 -6.649 6.823 748 HB3 PHE 102 2HB PHE 102 19.237 -6.940 8.196 749 HD1 PHE 102 1HD PHE 102 18.933 -9.442 8.887 750 HD2 PHE 102 2HD PHE 102 22.131 -8.016 6.490 751 HE1 PHE 102 1HE PHE 102 20.291 -11.463 9.496 752 HE2 PHE 102 2HE PHE 102 23.489 -10.037 7.099 753 HZ PHE 102 HZ PHE 102 22.553 -11.736 8.595 754 H SER 103 H SER 103 19.055 -5.493 5.076 755 HA SER 103 HA SER 103 17.967 -3.697 4.473 756 HB2 SER 103 1HB SER 103 15.941 -5.313 4.225 757 HB3 SER 103 2HB SER 103 15.399 -4.679 5.766 758 HG SER 103 HG SER 103 14.438 -3.270 4.407 759 H ARG 104 H ARG 104 19.509 -3.720 6.778 760 HA ARG 104 HA ARG 104 18.204 -2.928 9.069 761 HB2 ARG 104 1HB ARG 104 21.019 -2.293 8.056 762 HB3 ARG 104 2HB ARG 104 20.486 -1.943 9.688 763 HG2 ARG 104 1HG ARG 104 20.988 -4.067 10.291 764 HG3 ARG 104 2HG ARG 104 19.750 -4.656 9.201 765 HD2 ARG 104 1HD ARG 104 21.358 -4.745 7.334 766 HD3 ARG 104 2HD ARG 104 22.597 -3.987 8.314 767 HE ARG 104 HE ARG 104 21.753 -6.789 8.426 768 HH11 ARG 104 2HH2 ARG 104 23.300 -4.179 10.208 769 HH12 ARG 104 1HH2 ARG 104 24.167 -5.242 11.265 770 HH21 ARG 104 2HH1 ARG 104 22.897 -8.193 9.820 771 HH22 ARG 104 1HH1 ARG 104 23.936 -7.541 11.043 772 H HIS 105 H HIS 105 16.565 -1.354 8.446 773 HA HIS 105 HA HIS 105 17.248 1.261 8.813 774 HB2 HIS 105 1HB HIS 105 18.017 0.473 6.224 775 HB3 HIS 105 2HB HIS 105 16.539 1.387 6.002 776 HD1 HIS 105 1HD HIS 105 17.538 3.531 5.068 777 HD2 HIS 105 2HD HIS 105 19.277 2.360 8.702 778 HE1 HIS 105 1HE HIS 105 19.031 5.466 5.802 779 H SER 106 H SER 106 15.295 2.701 7.544 780 HA SER 106 HA SER 106 12.922 1.168 8.261 781 HB2 SER 106 1HB SER 106 11.891 3.221 8.969 782 HB3 SER 106 2HB SER 106 13.498 3.202 9.667 783 HG SER 106 HG SER 106 14.226 4.674 8.082 784 H VAL 107 H VAL 107 11.096 3.212 7.145 785 HA VAL 107 HA VAL 107 10.919 2.229 4.527 786 HB VAL 107 HB VAL 107 9.634 4.650 5.808 787 HG11 VAL 107 1HG1 VAL 107 8.633 5.014 3.851 788 HG12 VAL 107 2HG1 VAL 107 9.524 3.654 3.126 789 HG13 VAL 107 3HG1 VAL 107 7.944 3.374 3.898 790 HG21 VAL 107 1HG2 VAL 107 9.426 2.153 6.774 791 HG22 VAL 107 2HG2 VAL 107 8.070 3.307 6.782 792 HG23 VAL 107 3HG2 VAL 107 8.176 2.067 5.509 793 H ALA 108 H ALA 108 11.315 3.235 2.496 794 HA ALA 108 HA ALA 108 13.557 5.048 2.585 795 HB1 ALA 108 1HB ALA 108 13.161 2.960 1.054 796 HB2 ALA 108 2HB ALA 108 12.165 4.074 0.088 797 HB3 ALA 108 3HB ALA 108 13.890 4.424 0.352 798 H GLY 109 H GLY 109 10.226 5.382 2.812 799 HA2 GLY 109 1HA GLY 109 10.157 8.116 2.636 800 HA3 GLY 109 2HA GLY 109 9.808 7.564 1.009 801 H GLU 110 H GLU 110 8.311 8.591 3.738 802 HA GLU 110 HA GLU 110 6.119 6.694 3.425 803 HB2 GLU 110 1HB GLU 110 6.931 8.441 5.783 804 HB3 GLU 110 2HB GLU 110 5.388 7.614 5.708 805 HG2 GLU 110 1HG GLU 110 6.467 5.840 6.644 806 HG3 GLU 110 2HG GLU 110 7.153 5.569 5.055 807 H LEU 111 H LEU 111 3.975 7.497 3.107 808 HA LEU 111 HA LEU 111 3.759 10.391 2.761 809 HB2 LEU 111 1HB LEU 111 4.059 8.644 0.630 810 HB3 LEU 111 2HB LEU 111 2.325 8.878 0.722 811 HG LEU 111 HG LEU 111 4.123 11.280 0.786 812 HD11 LEU 111 1HD1 LEU 111 5.071 10.695 -1.152 813 HD12 LEU 111 2HD1 LEU 111 3.902 9.384 -1.441 814 HD13 LEU 111 3HD1 LEU 111 3.487 11.059 -1.877 815 HD21 LEU 111 1HD2 LEU 111 1.338 10.760 -0.291 816 HD22 LEU 111 2HD2 LEU 111 1.768 11.636 1.198 817 HD23 LEU 111 3HD2 LEU 111 2.206 12.312 -0.389 818 H ARG 112 H ARG 112 1.820 11.239 3.468 819 HA ARG 112 HA ARG 112 0.035 9.253 4.603 820 HB2 ARG 112 1HB ARG 112 0.698 10.724 6.340 821 HB3 ARG 112 2HB ARG 112 0.708 12.127 5.290 822 HG2 ARG 112 1HG ARG 112 -1.730 12.190 5.216 823 HG3 ARG 112 2HG ARG 112 -1.853 10.635 6.015 824 HD2 ARG 112 1HD ARG 112 -1.464 11.525 8.110 825 HD3 ARG 112 2HD ARG 112 -0.279 12.673 7.522 826 HE ARG 112 HE ARG 112 -2.682 13.600 6.465 827 HH11 ARG 112 2HH2 ARG 112 -1.522 12.857 9.703 828 HH12 ARG 112 1HH2 ARG 112 -2.542 14.026 10.475 829 HH21 ARG 112 2HH1 ARG 112 -4.028 15.142 7.482 830 HH22 ARG 112 1HH1 ARG 112 -3.976 15.334 9.203 831 H LEU 113 H LEU 113 -2.085 9.076 3.852 832 HA LEU 113 HA LEU 113 -3.038 11.226 2.101 833 HB2 LEU 113 1HB LEU 113 -3.287 8.265 1.556 834 HB3 LEU 113 2HB LEU 113 -3.984 9.555 0.596 835 HG LEU 113 HG LEU 113 -1.016 9.090 1.004 836 HD11 LEU 113 1HD1 LEU 113 -1.198 8.552 -1.521 837 HD12 LEU 113 2HD1 LEU 113 -1.678 7.313 -0.337 838 HD13 LEU 113 3HD1 LEU 113 -2.921 8.272 -1.176 839 HD21 LEU 113 1HD2 LEU 113 -2.362 10.970 -0.948 840 HD22 LEU 113 2HD2 LEU 113 -1.719 11.472 0.634 841 HD23 LEU 113 3HD2 LEU 113 -0.624 10.806 -0.602 842 H GLY 114 H GLY 114 -5.545 10.828 1.704 843 HA2 GLY 114 1HA GLY 114 -6.732 9.964 4.272 844 HA3 GLY 114 2HA GLY 114 -7.168 11.474 3.498 845 H LEU 115 H LEU 115 -8.833 9.039 4.126 846 HA LEU 115 HA LEU 115 -9.520 8.205 1.405 847 HB2 LEU 115 1HB LEU 115 -10.620 6.971 3.904 848 HB3 LEU 115 2HB LEU 115 -10.454 6.280 2.302 849 HG LEU 115 HG LEU 115 -8.801 5.163 3.424 850 HD11 LEU 115 1HD1 LEU 115 -7.035 7.503 2.811 851 HD12 LEU 115 2HD1 LEU 115 -6.795 5.769 2.486 852 HD13 LEU 115 3HD1 LEU 115 -7.929 6.713 1.490 853 HD21 LEU 115 1HD2 LEU 115 -7.664 5.821 5.328 854 HD22 LEU 115 2HD2 LEU 115 -7.770 7.552 4.926 855 HD23 LEU 115 3HD2 LEU 115 -9.214 6.681 5.496 856 H ASP 116 H ASP 116 -10.701 9.829 4.363 857 HA ASP 116 HA ASP 116 -13.326 9.921 3.973 858 HB2 ASP 116 1HB ASP 116 -12.906 12.535 4.663 859 HB3 ASP 116 2HB ASP 116 -12.820 11.204 5.801 860 H GLY 117 H GLY 117 -10.762 11.550 2.097 861 HA2 GLY 117 1HA GLY 117 -11.168 12.068 -0.194 862 HA3 GLY 117 2HA GLY 117 -12.810 12.526 0.210 863 H THR 118 H THR 118 -10.278 13.453 2.474 864 HA THR 118 HA THR 118 -10.689 16.241 1.686 865 HB THR 118 HB THR 118 -9.698 14.812 4.199 866 HG1 THR 118 1HG THR 118 -11.737 15.549 4.863 867 HG21 THR 118 1HG2 THR 118 -8.509 17.103 3.643 868 HG22 THR 118 2HG2 THR 118 -10.114 17.815 3.937 869 HG23 THR 118 3HG2 THR 118 -9.286 16.920 5.234 870 H SER 119 H SER 119 -7.810 14.768 3.246 871 HA SER 119 HA SER 119 -5.976 16.338 2.207 872 HB2 SER 119 1HB SER 119 -5.832 13.328 2.635 873 HB3 SER 119 2HB SER 119 -4.413 14.281 2.245 874 HG SER 119 HG SER 119 -4.331 15.016 4.257 875 H VAL 120 H VAL 120 -6.995 13.218 0.620 876 HA VAL 120 HA VAL 120 -6.422 14.482 -1.955 877 HB VAL 120 HB VAL 120 -5.545 12.108 -2.578 878 HG11 VAL 120 1HG1 VAL 120 -3.598 13.653 -0.898 879 HG12 VAL 120 2HG1 VAL 120 -3.399 12.948 -2.520 880 HG13 VAL 120 3HG1 VAL 120 -4.340 14.444 -2.310 881 HG21 VAL 120 1HG2 VAL 120 -4.937 12.161 0.397 882 HG22 VAL 120 2HG2 VAL 120 -6.086 11.064 -0.407 883 HG23 VAL 120 3HG2 VAL 120 -4.348 10.964 -0.782 884 HA PRO 121 HA PRO 121 -10.298 12.743 -2.803 885 HB2 PRO 121 1HB PRO 121 -10.405 13.175 -5.500 886 HB3 PRO 121 2HB PRO 121 -10.784 14.410 -4.316 887 HG2 PRO 121 1HG PRO 121 -8.361 14.124 -5.984 888 HG3 PRO 121 2HG PRO 121 -8.945 15.538 -5.130 889 HD2 PRO 121 1HD PRO 121 -6.789 13.821 -4.334 890 HD3 PRO 121 2HD PRO 121 -7.449 15.166 -3.425 891 H LEU 122 H LEU 122 -11.474 11.127 -4.257 892 HA LEU 122 HA LEU 122 -9.607 8.891 -4.487 893 HB2 LEU 122 1HB LEU 122 -12.599 9.074 -4.185 894 HB3 LEU 122 2HB LEU 122 -11.790 7.585 -4.631 895 HG LEU 122 HG LEU 122 -11.164 9.129 -2.102 896 HD11 LEU 122 1HD1 LEU 122 -12.470 6.893 -1.254 897 HD12 LEU 122 2HD1 LEU 122 -13.212 8.501 -1.432 898 HD13 LEU 122 3HD1 LEU 122 -13.383 7.294 -2.729 899 HD21 LEU 122 1HD2 LEU 122 -9.326 7.782 -2.481 900 HD22 LEU 122 2HD2 LEU 122 -10.351 6.736 -1.469 901 HD23 LEU 122 3HD2 LEU 122 -10.290 6.487 -3.231 902 H GLY 123 H GLY 123 -9.760 7.458 -6.386 903 HA2 GLY 123 1HA GLY 123 -9.678 7.145 -8.609 904 HA3 GLY 123 2HA GLY 123 -11.211 7.991 -8.679 905 H ALA 124 H ALA 124 -8.386 9.649 -7.330 906 HA ALA 124 HA ALA 124 -8.107 11.122 -9.858 907 HB1 ALA 124 1HB ALA 124 -8.603 13.073 -8.840 908 HB2 ALA 124 2HB ALA 124 -9.252 12.092 -7.504 909 HB3 ALA 124 3HB ALA 124 -7.576 12.688 -7.437 910 H ALA 125 H ALA 125 -6.185 10.278 -10.596 911 HA ALA 125 HA ALA 125 -4.111 9.473 -8.869 912 HB1 ALA 125 1HB ALA 125 -3.319 8.598 -10.789 913 HB2 ALA 125 2HB ALA 125 -4.783 9.234 -11.576 914 HB3 ALA 125 3HB ALA 125 -3.282 10.191 -11.581 915 H GLN 126 H GLN 126 -2.710 10.706 -7.727 916 HA GLN 126 HA GLN 126 -1.938 13.238 -8.903 917 HB2 GLN 126 1HB GLN 126 -2.095 14.196 -6.468 918 HB3 GLN 126 2HB GLN 126 -3.552 14.100 -7.438 919 HG2 GLN 126 1HG GLN 126 -3.185 11.566 -6.077 920 HG3 GLN 126 2HG GLN 126 -3.032 12.856 -4.901 921 HE21 GLN 126 1HE2 GLN 126 -5.089 11.139 -4.700 922 HE22 GLN 126 2HE2 GLN 126 -6.598 11.888 -5.102 923 H TRP 127 H TRP 127 0.218 13.851 -8.434 924 HA TRP 127 HA TRP 127 1.828 11.702 -7.369 925 HB2 TRP 127 1HB TRP 127 2.341 14.220 -8.901 926 HB3 TRP 127 2HB TRP 127 3.654 13.482 -8.006 927 HD1 TRP 127 HD TRP 127 1.077 12.366 -10.731 928 HE1 TRP 127 1HE TRP 127 2.168 10.601 -12.361 929 HE3 TRP 127 3HE TRP 127 5.523 12.067 -8.281 930 HZ2 TRP 127 2HZ TRP 127 4.710 9.307 -12.442 931 HZ3 TRP 127 3HZ TRP 127 7.255 10.529 -9.201 932 HH2 TRP 127 HH TRP 127 6.905 9.177 -11.208 933 H GLY 128 H GLY 128 2.777 11.701 -5.343 934 HA2 GLY 128 1HA GLY 128 2.580 14.196 -3.771 935 HA3 GLY 128 2HA GLY 128 2.061 12.654 -3.122 936 H GLU 129 H GLU 129 4.426 14.714 -2.641 937 HA GLU 129 HA GLU 129 6.729 13.183 -3.183 938 HB2 GLU 129 1HB GLU 129 6.065 15.782 -1.965 939 HB3 GLU 129 2HB GLU 129 7.403 14.993 -1.153 940 HG2 GLU 129 1HG GLU 129 8.710 15.823 -2.823 941 HG3 GLU 129 2HG GLU 129 8.031 14.557 -3.826 942 H LEU 130 H LEU 130 8.029 11.932 -1.743 943 HA LEU 130 HA LEU 130 6.506 10.739 0.393 944 HB2 LEU 130 1HB LEU 130 9.165 10.155 -0.894 945 HB3 LEU 130 2HB LEU 130 8.623 9.317 0.546 946 HG LEU 130 HG LEU 130 6.976 9.381 -1.986 947 HD11 LEU 130 1HD1 LEU 130 8.715 8.290 -2.929 948 HD12 LEU 130 2HD1 LEU 130 9.405 7.797 -1.364 949 HD13 LEU 130 3HD1 LEU 130 8.026 6.905 -2.049 950 HD21 LEU 130 1HD2 LEU 130 5.505 8.146 -0.872 951 HD22 LEU 130 2HD2 LEU 130 6.768 7.011 -0.339 952 HD23 LEU 130 3HD2 LEU 130 6.435 8.480 0.609 953 H LYS 131 H LYS 131 6.663 11.215 2.529 954 HA LYS 131 HA LYS 131 8.615 13.251 3.249 955 HB2 LYS 131 1HB LYS 131 6.214 12.192 4.770 956 HB3 LYS 131 2HB LYS 131 7.233 13.530 5.261 957 HG2 LYS 131 1HG LYS 131 6.052 14.958 3.957 958 HG3 LYS 131 2HG LYS 131 6.414 14.003 2.533 959 HD2 LYS 131 1HD LYS 131 4.505 12.403 3.429 960 HD3 LYS 131 2HD LYS 131 4.027 13.787 4.392 961 HE2 LYS 131 1HE LYS 131 4.105 15.138 2.155 962 HE3 LYS 131 2HE LYS 131 4.153 13.579 1.358 963 HZ1 LYS 131 1HZ LYS 131 2.150 13.167 2.974 964 HZ2 LYS 131 2HZ LYS 131 2.004 14.789 2.859 965 HZ3 LYS 131 3HZ LYS 131 1.944 13.866 1.513 966 H THR 132 H THR 132 10.311 11.464 2.894 967 HA THR 132 HA THR 132 10.606 9.195 4.286 968 HB THR 132 HB THR 132 13.065 9.720 4.193 969 HG1 THR 132 1HG THR 132 13.538 11.884 4.262 970 HG21 THR 132 1HG2 THR 132 13.047 9.506 1.916 971 HG22 THR 132 2HG2 THR 132 11.283 9.732 1.974 972 HG23 THR 132 3HG2 THR 132 12.352 11.134 1.728 973 H SER 133 H SER 133 9.754 8.872 6.287 974 HA SER 133 HA SER 133 10.654 10.730 8.336 975 HB2 SER 133 1HB SER 133 8.163 9.233 7.853 976 HB3 SER 133 2HB SER 133 8.749 9.022 9.491 977 HG SER 133 HG SER 133 9.037 11.555 9.271 978 H GLY 134 H GLY 134 10.774 9.451 10.632 979 HA2 GLY 134 1HA GLY 134 12.935 7.603 10.344 980 HA3 GLY 134 2HA GLY 134 12.173 8.138 11.829 981 HA PRO 135 HA PRO 135 10.851 3.863 11.334 982 HB2 PRO 135 1HB PRO 135 11.304 3.075 13.911 983 HB3 PRO 135 2HB PRO 135 12.488 2.894 12.631 984 HG2 PRO 135 1HG PRO 135 12.431 4.859 14.839 985 HG3 PRO 135 2HG PRO 135 13.780 4.386 13.825 986 HD2 PRO 135 1HD PRO 135 12.245 6.801 13.624 987 HD3 PRO 135 2HD PRO 135 13.517 6.274 12.539 988 H SER 136 H SER 136 8.767 3.317 11.259 989 HA SER 136 HA SER 136 7.196 3.734 13.546 990 HB2 SER 136 1HB SER 136 5.651 5.420 12.729 991 HB3 SER 136 2HB SER 136 7.271 6.084 12.668 992 HG SER 136 HG SER 136 7.324 5.487 10.362 993 H SER 137 H SER 137 7.293 1.369 12.776 994 HA SER 137 HA SER 137 5.169 0.986 10.816 995 HB2 SER 137 1HB SER 137 7.447 0.359 9.928 996 HB3 SER 137 2HB SER 137 7.596 -0.819 11.217 997 HG SER 137 HG SER 137 5.195 -1.076 9.817 998 H GLY 138 H GLY 138 7.083 -0.614 13.468 999 HA2 GLY 138 1HA GLY 138 5.114 -2.533 14.101 1000 HA3 GLY 138 2HA GLY 138 6.469 -2.039 15.096 Start of MODEL 17 1 H1 GLY 1 H GLY 1 23.232 1.799 25.396 2 HA2 GLY 1 1HA GLY 1 21.219 1.231 23.744 3 HA3 GLY 1 2HA GLY 1 20.495 2.502 24.708 4 H SER 2 H SER 2 21.110 2.636 21.852 5 HA SER 2 HA SER 2 22.195 5.151 21.761 6 HB2 SER 2 1HB SER 2 24.209 3.014 21.729 7 HB3 SER 2 2HB SER 2 24.282 3.981 20.270 8 HG SER 2 HG SER 2 24.763 5.808 21.432 9 H SER 3 H SER 3 22.639 5.815 19.362 10 HA SER 3 HA SER 3 21.962 4.069 17.321 11 HB2 SER 3 1HB SER 3 19.718 4.674 16.751 12 HB3 SER 3 2HB SER 3 19.689 4.287 18.460 13 HG SER 3 HG SER 3 20.014 6.702 18.787 14 H GLY 4 H GLY 4 21.407 5.460 15.212 15 HA2 GLY 4 1HA GLY 4 22.362 8.206 15.383 16 HA3 GLY 4 2HA GLY 4 23.396 7.083 14.523 17 H SER 5 H SER 5 22.646 8.936 12.862 18 HA SER 5 HA SER 5 21.075 7.623 10.994 19 HB2 SER 5 1HB SER 5 19.281 8.451 12.652 20 HB3 SER 5 2HB SER 5 19.682 10.077 12.136 21 HG SER 5 HG SER 5 18.188 8.119 10.836 22 H SER 6 H SER 6 20.725 9.088 8.996 23 HA SER 6 HA SER 6 21.869 11.609 8.913 24 HB2 SER 6 1HB SER 6 23.946 11.133 7.638 25 HB3 SER 6 2HB SER 6 24.014 10.468 9.258 26 HG SER 6 HG SER 6 24.439 8.595 8.327 27 H GLY 7 H GLY 7 22.103 12.360 6.533 28 HA2 GLY 7 1HA GLY 7 21.300 10.820 4.365 29 HA3 GLY 7 2HA GLY 7 19.841 11.491 5.068 30 H SER 8 H SER 8 20.572 12.242 2.486 31 HA SER 8 HA SER 8 20.508 14.975 2.673 32 HB2 SER 8 1HB SER 8 23.148 14.045 3.046 33 HB3 SER 8 2HB SER 8 23.108 14.573 1.376 34 HG SER 8 HG SER 8 21.831 16.498 2.665 35 H TRP 9 H TRP 9 20.080 15.906 0.584 36 HA TRP 9 HA TRP 9 20.727 14.671 -1.830 37 HB2 TRP 9 1HB TRP 9 18.343 13.956 -2.424 38 HB3 TRP 9 2HB TRP 9 19.340 12.864 -1.484 39 HD1 TRP 9 HD TRP 9 16.583 15.542 -0.736 40 HE1 TRP 9 1HE TRP 9 15.093 14.783 1.305 41 HE3 TRP 9 3HE TRP 9 19.193 11.294 0.265 42 HZ2 TRP 9 2HZ TRP 9 15.172 12.542 3.070 43 HZ3 TRP 9 3HZ TRP 9 18.420 9.877 2.165 44 HH2 TRP 9 HH TRP 9 16.484 10.441 3.545 45 H ASN 10 H ASN 10 19.586 15.840 -3.659 46 HA ASN 10 HA ASN 10 19.043 18.521 -2.762 47 HB2 ASN 10 1HB ASN 10 19.650 17.224 -5.447 48 HB3 ASN 10 2HB ASN 10 18.983 18.844 -5.399 49 HD21 ASN 10 1HD2 ASN 10 21.749 17.108 -5.537 50 HD22 ASN 10 2HD2 ASN 10 22.898 18.234 -4.896 51 H GLN 11 H GLN 11 17.662 16.029 -5.044 52 HA GLN 11 HA GLN 11 15.196 17.445 -5.175 53 HB2 GLN 11 1HB GLN 11 16.538 15.398 -6.683 54 HB3 GLN 11 2HB GLN 11 14.975 14.761 -6.213 55 HG2 GLN 11 1HG GLN 11 14.125 15.930 -7.970 56 HG3 GLN 11 2HG GLN 11 14.335 17.362 -6.982 57 HE21 GLN 11 1HE2 GLN 11 14.385 17.912 -9.481 58 HE22 GLN 11 2HE2 GLN 11 15.968 18.165 -10.136 59 H ALA 12 H ALA 12 13.077 15.991 -4.888 60 HA ALA 12 HA ALA 12 13.362 14.656 -2.283 61 HB1 ALA 12 1HB ALA 12 11.787 16.880 -3.089 62 HB2 ALA 12 2HB ALA 12 10.666 15.515 -2.873 63 HB3 ALA 12 3HB ALA 12 11.734 16.010 -1.537 64 HA PRO 13 HA PRO 13 11.727 11.127 -4.175 65 HB2 PRO 13 1HB PRO 13 10.648 9.807 -2.039 66 HB3 PRO 13 2HB PRO 13 12.361 9.792 -2.409 67 HG2 PRO 13 1HG PRO 13 10.936 11.276 -0.285 68 HG3 PRO 13 2HG PRO 13 12.646 10.909 -0.411 69 HD2 PRO 13 1HD PRO 13 11.386 13.429 -0.951 70 HD3 PRO 13 2HD PRO 13 13.076 13.030 -1.188 71 H LYS 14 H LYS 14 10.124 10.894 -5.590 72 HA LYS 14 HA LYS 14 7.540 11.904 -4.637 73 HB2 LYS 14 1HB LYS 14 9.035 12.212 -7.125 74 HB3 LYS 14 2HB LYS 14 7.411 11.619 -7.410 75 HG2 LYS 14 1HG LYS 14 6.685 13.502 -5.703 76 HG3 LYS 14 2HG LYS 14 8.264 14.185 -6.035 77 HD2 LYS 14 1HD LYS 14 6.266 13.454 -8.224 78 HD3 LYS 14 2HD LYS 14 6.370 15.053 -7.515 79 HE2 LYS 14 1HE LYS 14 8.943 13.855 -8.505 80 HE3 LYS 14 2HE LYS 14 7.778 14.327 -9.727 81 HZ1 LYS 14 1HZ LYS 14 9.436 15.964 -8.214 82 HZ2 LYS 14 2HZ LYS 14 8.410 16.394 -9.409 83 HZ3 LYS 14 3HZ LYS 14 7.891 16.359 -7.861 84 H LEU 15 H LEU 15 5.681 10.621 -4.801 85 HA LEU 15 HA LEU 15 6.059 7.937 -5.877 86 HB2 LEU 15 1HB LEU 15 6.558 7.473 -3.665 87 HB3 LEU 15 2HB LEU 15 5.416 8.647 -3.042 88 HG LEU 15 HG LEU 15 3.551 7.233 -3.496 89 HD11 LEU 15 1HD1 LEU 15 4.578 6.418 -5.718 90 HD12 LEU 15 2HD1 LEU 15 5.296 5.117 -4.738 91 HD13 LEU 15 3HD1 LEU 15 3.528 5.307 -4.806 92 HD21 LEU 15 1HD2 LEU 15 5.418 6.645 -1.633 93 HD22 LEU 15 2HD2 LEU 15 3.872 5.780 -1.803 94 HD23 LEU 15 3HD2 LEU 15 5.354 5.100 -2.515 95 H HIS 16 H HIS 16 4.596 7.923 -7.507 96 HA HIS 16 HA HIS 16 2.216 9.492 -7.284 97 HB2 HIS 16 1HB HIS 16 3.646 9.061 -9.379 98 HB3 HIS 16 2HB HIS 16 2.870 7.491 -9.450 99 HD1 HIS 16 1HD HIS 16 0.993 7.506 -11.081 100 HD2 HIS 16 2HD HIS 16 1.343 11.171 -9.070 101 HE1 HIS 16 1HE HIS 16 -0.869 8.999 -11.986 102 H TYR 17 H TYR 17 0.080 8.756 -7.035 103 HA TYR 17 HA TYR 17 -0.437 5.935 -6.877 104 HB2 TYR 17 1HB TYR 17 -1.299 6.326 -4.442 105 HB3 TYR 17 2HB TYR 17 0.443 6.282 -4.623 106 HD1 TYR 17 2HD TYR 17 -2.454 8.611 -4.339 107 HD2 TYR 17 1HD TYR 17 1.781 8.125 -3.975 108 HE1 TYR 17 2HE TYR 17 -2.277 10.904 -3.256 109 HE2 TYR 17 1HE TYR 17 1.944 10.420 -2.893 110 HH TYR 17 HH TYR 17 -0.109 12.684 -3.156 111 H CYS 18 H CYS 18 -2.676 5.460 -6.992 112 HA CYS 18 HA CYS 18 -4.360 7.843 -7.272 113 HB2 CYS 18 1HB CYS 18 -4.099 7.057 -9.481 114 HB3 CYS 18 2HB CYS 18 -4.214 5.375 -9.005 115 HG CYS 18 HG CYS 18 -6.362 7.134 -10.178 116 H LEU 19 H LEU 19 -5.329 7.775 -5.214 117 HA LEU 19 HA LEU 19 -6.103 5.294 -4.046 118 HB2 LEU 19 1HB LEU 19 -7.017 8.028 -3.191 119 HB3 LEU 19 2HB LEU 19 -6.834 6.581 -2.220 120 HG LEU 19 HG LEU 19 -4.646 8.336 -3.349 121 HD11 LEU 19 1HD1 LEU 19 -4.907 7.553 -0.472 122 HD12 LEU 19 2HD1 LEU 19 -4.226 9.026 -1.203 123 HD13 LEU 19 3HD1 LEU 19 -5.991 8.800 -1.135 124 HD21 LEU 19 1HD2 LEU 19 -4.540 5.504 -2.449 125 HD22 LEU 19 2HD2 LEU 19 -3.535 6.380 -3.629 126 HD23 LEU 19 3HD2 LEU 19 -3.246 6.589 -1.885 127 H ASP 20 H ASP 20 -8.077 4.270 -4.052 128 HA ASP 20 HA ASP 20 -10.349 5.696 -5.038 129 HB2 ASP 20 1HB ASP 20 -9.317 4.886 -7.139 130 HB3 ASP 20 2HB ASP 20 -9.220 3.260 -6.494 131 H TYR 21 H TYR 21 -11.913 5.059 -3.548 132 HA TYR 21 HA TYR 21 -11.607 2.440 -2.290 133 HB2 TYR 21 1HB TYR 21 -11.871 4.702 -1.050 134 HB3 TYR 21 2HB TYR 21 -13.463 4.844 -1.768 135 HD1 TYR 21 2HD TYR 21 -11.415 2.682 0.482 136 HD2 TYR 21 1HD TYR 21 -15.344 3.858 -0.737 137 HE1 TYR 21 2HE TYR 21 -12.415 1.383 2.425 138 HE2 TYR 21 1HE TYR 21 -16.330 2.554 1.210 139 HH TYR 21 HH TYR 21 -15.036 0.261 2.681 140 H ASP 22 H ASP 22 -12.844 0.744 -2.913 141 HA ASP 22 HA ASP 22 -15.101 1.353 -4.613 142 HB2 ASP 22 1HB ASP 22 -13.120 -0.534 -4.824 143 HB3 ASP 22 2HB ASP 22 -14.342 -1.479 -3.997 144 H CYS 23 H CYS 23 -16.611 2.028 -2.912 145 HA CYS 23 HA CYS 23 -17.061 0.931 -0.519 146 HB2 CYS 23 1HB CYS 23 -19.205 1.891 -0.548 147 HB3 CYS 23 2HB CYS 23 -18.271 2.880 -1.652 148 HG CYS 23 HG CYS 23 -20.967 1.684 -2.129 149 H GLN 24 H GLN 24 -17.837 -0.408 -3.735 150 HA GLN 24 HA GLN 24 -19.631 -2.343 -2.948 151 HB2 GLN 24 1HB GLN 24 -17.601 -2.749 -5.169 152 HB3 GLN 24 2HB GLN 24 -19.250 -3.335 -5.092 153 HG2 GLN 24 1HG GLN 24 -19.493 -0.530 -4.821 154 HG3 GLN 24 2HG GLN 24 -18.244 -0.741 -6.032 155 HE21 GLN 24 1HE2 GLN 24 -19.375 -0.131 -7.784 156 HE22 GLN 24 2HE2 GLN 24 -20.740 -0.975 -8.436 157 H LYS 25 H LYS 25 -16.020 -2.457 -3.236 158 HA LYS 25 HA LYS 25 -16.011 -5.128 -2.122 159 HB2 LYS 25 1HB LYS 25 -13.576 -3.469 -2.758 160 HB3 LYS 25 2HB LYS 25 -13.744 -5.213 -2.731 161 HG2 LYS 25 1HG LYS 25 -15.590 -4.709 -4.629 162 HG3 LYS 25 2HG LYS 25 -14.643 -3.249 -4.836 163 HD2 LYS 25 1HD LYS 25 -12.827 -4.379 -5.698 164 HD3 LYS 25 2HD LYS 25 -13.029 -5.747 -4.620 165 HE2 LYS 25 1HE LYS 25 -14.266 -6.912 -6.148 166 HE3 LYS 25 2HE LYS 25 -15.262 -5.523 -6.533 167 HZ1 LYS 25 1HZ LYS 25 -13.630 -6.473 -8.261 168 HZ2 LYS 25 2HZ LYS 25 -13.822 -4.855 -8.143 169 HZ3 LYS 25 3HZ LYS 25 -12.514 -5.572 -7.479 170 H ALA 26 H ALA 26 -15.726 -1.776 -1.118 171 HA ALA 26 HA ALA 26 -15.499 -0.853 0.881 172 HB1 ALA 26 1HB ALA 26 -15.461 -3.199 2.599 173 HB2 ALA 26 2HB ALA 26 -16.695 -1.924 2.455 174 HB3 ALA 26 3HB ALA 26 -16.745 -3.337 1.373 175 H GLU 27 H GLU 27 -13.196 -1.438 -0.669 176 HA GLU 27 HA GLU 27 -11.295 -1.656 1.501 177 HB2 GLU 27 1HB GLU 27 -11.016 -3.210 -1.109 178 HB3 GLU 27 2HB GLU 27 -9.824 -3.150 0.173 179 HG2 GLU 27 1HG GLU 27 -12.134 -3.893 1.550 180 HG3 GLU 27 2HG GLU 27 -12.341 -4.708 0.013 181 H LEU 28 H LEU 28 -9.518 -0.263 1.273 182 HA LEU 28 HA LEU 28 -9.797 1.705 -0.803 183 HB2 LEU 28 1HB LEU 28 -9.308 2.198 1.601 184 HB3 LEU 28 2HB LEU 28 -7.724 1.482 1.381 185 HG LEU 28 HG LEU 28 -7.818 3.994 1.287 186 HD11 LEU 28 1HD1 LEU 28 -6.391 2.148 -0.391 187 HD12 LEU 28 2HD1 LEU 28 -6.648 3.679 -1.263 188 HD13 LEU 28 3HD1 LEU 28 -5.845 3.683 0.326 189 HD21 LEU 28 1HD2 LEU 28 -8.753 5.160 -0.507 190 HD22 LEU 28 2HD2 LEU 28 -8.932 3.692 -1.497 191 HD23 LEU 28 3HD2 LEU 28 -9.990 3.951 -0.089 192 H PHE 29 H PHE 29 -8.356 2.126 -2.501 193 HA PHE 29 HA PHE 29 -6.339 0.030 -2.904 194 HB2 PHE 29 1HB PHE 29 -8.237 1.493 -4.833 195 HB3 PHE 29 2HB PHE 29 -6.922 0.479 -5.394 196 HD1 PHE 29 1HD PHE 29 -10.104 0.447 -3.510 197 HD2 PHE 29 2HD PHE 29 -7.153 -1.874 -5.488 198 HE1 PHE 29 1HE PHE 29 -11.602 -1.564 -3.386 199 HE2 PHE 29 2HE PHE 29 -8.651 -3.885 -5.364 200 HZ PHE 29 HZ PHE 29 -10.858 -3.705 -4.314 201 H VAL 30 H VAL 30 -4.367 0.669 -3.939 202 HA VAL 30 HA VAL 30 -4.054 3.562 -4.281 203 HB VAL 30 HB VAL 30 -2.280 1.693 -2.701 204 HG11 VAL 30 1HG1 VAL 30 -1.476 4.472 -2.613 205 HG12 VAL 30 2HG1 VAL 30 -0.525 3.029 -3.040 206 HG13 VAL 30 3HG1 VAL 30 -1.472 3.873 -4.289 207 HG21 VAL 30 1HG2 VAL 30 -3.059 2.666 -0.810 208 HG22 VAL 30 2HG2 VAL 30 -3.209 4.270 -1.567 209 HG23 VAL 30 3HG2 VAL 30 -4.471 3.041 -1.827 210 H THR 31 H THR 31 -4.499 2.689 -6.555 211 HA THR 31 HA THR 31 -2.349 1.140 -7.704 212 HB THR 31 HB THR 31 -3.782 1.444 -9.772 213 HG1 THR 31 1HG THR 31 -4.899 3.359 -9.510 214 HG21 THR 31 1HG2 THR 31 -6.031 0.623 -8.589 215 HG22 THR 31 2HG2 THR 31 -4.605 -0.442 -8.611 216 HG23 THR 31 3HG2 THR 31 -4.987 0.505 -7.153 217 H ARG 32 H ARG 32 -2.109 2.354 -10.237 218 HA ARG 32 HA ARG 32 -0.701 3.685 -11.215 219 HB2 ARG 32 1HB ARG 32 -2.036 5.817 -9.470 220 HB3 ARG 32 2HB ARG 32 -1.129 6.145 -10.933 221 HG2 ARG 32 1HG ARG 32 -3.531 4.272 -10.927 222 HG3 ARG 32 2HG ARG 32 -3.713 6.002 -11.142 223 HD2 ARG 32 1HD ARG 32 -2.106 5.887 -13.097 224 HD3 ARG 32 2HD ARG 32 -2.046 4.146 -12.910 225 HE ARG 32 HE ARG 32 -4.738 4.555 -13.097 226 HH11 ARG 32 2HH2 ARG 32 -2.064 5.767 -15.037 227 HH12 ARG 32 1HH2 ARG 32 -3.003 5.885 -16.488 228 HH21 ARG 32 2HH1 ARG 32 -5.977 4.711 -15.011 229 HH22 ARG 32 1HH1 ARG 32 -5.243 5.281 -16.473 230 H LEU 33 H LEU 33 0.903 2.441 -9.615 231 HA LEU 33 HA LEU 33 2.128 4.281 -7.724 232 HB2 LEU 33 1HB LEU 33 2.581 1.351 -8.301 233 HB3 LEU 33 2HB LEU 33 3.475 2.278 -7.114 234 HG LEU 33 HG LEU 33 0.467 1.960 -7.026 235 HD11 LEU 33 1HD1 LEU 33 1.754 0.423 -4.994 236 HD12 LEU 33 2HD1 LEU 33 0.670 -0.122 -6.296 237 HD13 LEU 33 3HD1 LEU 33 2.428 -0.049 -6.572 238 HD21 LEU 33 1HD2 LEU 33 1.615 3.881 -5.807 239 HD22 LEU 33 2HD2 LEU 33 0.568 2.816 -4.838 240 HD23 LEU 33 3HD2 LEU 33 2.337 2.639 -4.756 241 H GLU 34 H GLU 34 3.746 5.599 -8.341 242 HA GLU 34 HA GLU 34 5.655 4.562 -10.229 243 HB2 GLU 34 1HB GLU 34 4.402 7.284 -10.748 244 HB3 GLU 34 2HB GLU 34 5.485 6.386 -11.792 245 HG2 GLU 34 1HG GLU 34 3.676 4.552 -11.895 246 HG3 GLU 34 2HG GLU 34 2.601 5.680 -11.092 247 H ALA 35 H ALA 35 7.221 4.600 -8.569 248 HA ALA 35 HA ALA 35 7.538 6.878 -6.899 249 HB1 ALA 35 1HB ALA 35 9.208 4.401 -7.462 250 HB2 ALA 35 2HB ALA 35 9.661 5.633 -6.260 251 HB3 ALA 35 3HB ALA 35 8.151 4.711 -6.064 252 H VAL 36 H VAL 36 9.214 8.463 -6.940 253 HA VAL 36 HA VAL 36 10.731 8.564 -9.445 254 HB VAL 36 HB VAL 36 8.868 10.595 -8.273 255 HG11 VAL 36 1HG1 VAL 36 10.603 12.079 -8.340 256 HG12 VAL 36 2HG1 VAL 36 11.509 11.142 -9.551 257 HG13 VAL 36 3HG1 VAL 36 10.128 12.146 -10.054 258 HG21 VAL 36 1HG2 VAL 36 9.397 9.387 -10.983 259 HG22 VAL 36 2HG2 VAL 36 7.876 9.480 -10.063 260 HG23 VAL 36 3HG2 VAL 36 8.542 10.941 -10.832 261 H THR 37 H THR 37 12.491 7.688 -8.149 262 HA THR 37 HA THR 37 13.631 9.740 -6.368 263 HB THR 37 HB THR 37 14.452 7.889 -4.959 264 HG1 THR 37 1HG THR 37 12.973 6.270 -6.908 265 HG21 THR 37 1HG2 THR 37 12.376 7.985 -3.981 266 HG22 THR 37 2HG2 THR 37 11.568 8.185 -5.555 267 HG23 THR 37 3HG2 THR 37 11.981 6.557 -4.967 268 H SER 38 H SER 38 15.849 10.128 -6.500 269 HA SER 38 HA SER 38 17.044 8.903 -8.862 270 HB2 SER 38 1HB SER 38 18.355 10.979 -9.125 271 HB3 SER 38 2HB SER 38 16.636 11.322 -9.135 272 HG SER 38 HG SER 38 16.748 12.151 -7.040 273 H ASN 39 H ASN 39 19.579 8.932 -8.731 274 HA ASN 39 HA ASN 39 21.426 8.348 -7.753 275 HB2 ASN 39 1HB ASN 39 20.245 10.105 -5.824 276 HB3 ASN 39 2HB ASN 39 20.838 8.732 -4.910 277 HD21 ASN 39 1HD2 ASN 39 21.629 11.690 -5.827 278 HD22 ASN 39 2HD2 ASN 39 23.350 11.590 -5.993 279 H HIS 40 H HIS 40 21.565 6.089 -7.864 280 HA HIS 40 HA HIS 40 20.672 4.606 -5.571 281 HB2 HIS 40 1HB HIS 40 19.491 2.919 -7.073 282 HB3 HIS 40 2HB HIS 40 18.639 4.404 -6.698 283 HD1 HIS 40 1HD HIS 40 19.842 6.323 -8.801 284 HD2 HIS 40 2HD HIS 40 18.655 2.386 -9.627 285 HE1 HIS 40 1HE HIS 40 19.383 6.226 -11.310 286 H ASP 41 H ASP 41 22.207 3.104 -5.082 287 HA ASP 41 HA ASP 41 24.391 2.867 -6.877 288 HB2 ASP 41 1HB ASP 41 25.196 1.219 -5.045 289 HB3 ASP 41 2HB ASP 41 24.998 2.899 -4.585 290 H GLY 42 H GLY 42 24.561 1.265 -8.456 291 HA2 GLY 42 1HA GLY 42 24.101 -0.572 -9.667 292 HA3 GLY 42 2HA GLY 42 24.036 -1.419 -8.134 293 H GLY 43 H GLY 43 22.251 -2.743 -8.292 294 HA2 GLY 43 1HA GLY 43 19.682 -1.402 -8.880 295 HA3 GLY 43 2HA GLY 43 20.098 -2.959 -9.568 296 H CYS 44 H CYS 44 18.453 -1.453 -7.053 297 HA CYS 44 HA CYS 44 18.801 -3.786 -5.315 298 HB2 CYS 44 1HB CYS 44 18.449 -0.894 -4.741 299 HB3 CYS 44 2HB CYS 44 17.529 -1.983 -3.722 300 HG CYS 44 HG CYS 44 19.552 -3.562 -3.112 301 H ASP 45 H ASP 45 16.559 -4.022 -3.940 302 HA ASP 45 HA ASP 45 14.483 -4.027 -5.982 303 HB2 ASP 45 1HB ASP 45 15.390 -5.971 -3.964 304 HB3 ASP 45 2HB ASP 45 13.666 -5.681 -3.843 305 H CYS 46 H CYS 46 13.047 -2.327 -5.607 306 HA CYS 46 HA CYS 46 12.466 -1.707 -2.802 307 HB2 CYS 46 1HB CYS 46 11.871 0.595 -3.649 308 HB3 CYS 46 2HB CYS 46 13.575 0.188 -3.708 309 HG CYS 46 HG CYS 46 11.849 -0.785 -6.261 310 H TYR 47 H TYR 47 10.157 -0.911 -2.470 311 HA TYR 47 HA TYR 47 8.273 -1.531 -4.551 312 HB2 TYR 47 1HB TYR 47 7.158 -3.261 -3.041 313 HB3 TYR 47 2HB TYR 47 8.750 -3.773 -3.564 314 HD1 TYR 47 2HD TYR 47 10.679 -3.683 -1.977 315 HD2 TYR 47 1HD TYR 47 6.678 -2.834 -0.721 316 HE1 TYR 47 2HE TYR 47 11.365 -4.004 0.450 317 HE2 TYR 47 1HE TYR 47 7.378 -3.158 1.702 318 HH TYR 47 HH TYR 47 9.218 -4.488 2.880 319 H VAL 48 H VAL 48 6.059 -0.894 -3.958 320 HA VAL 48 HA VAL 48 6.147 1.253 -2.002 321 HB VAL 48 HB VAL 48 3.992 0.476 -3.975 322 HG11 VAL 48 1HG1 VAL 48 2.805 1.954 -2.765 323 HG12 VAL 48 2HG1 VAL 48 4.250 2.574 -1.931 324 HG13 VAL 48 3HG1 VAL 48 3.821 3.191 -3.544 325 HG21 VAL 48 1HG2 VAL 48 6.581 1.561 -4.479 326 HG22 VAL 48 2HG2 VAL 48 5.239 1.311 -5.621 327 HG23 VAL 48 3HG2 VAL 48 5.385 2.853 -4.745 328 H GLN 49 H GLN 49 5.007 1.268 -0.084 329 HA GLN 49 HA GLN 49 3.428 -1.137 0.405 330 HB2 GLN 49 1HB GLN 49 5.574 -1.184 1.651 331 HB3 GLN 49 2HB GLN 49 5.207 0.371 2.373 332 HG2 GLN 49 1HG GLN 49 2.924 -0.983 3.035 333 HG3 GLN 49 2HG GLN 49 4.049 -2.326 2.976 334 HE21 GLN 49 1HE2 GLN 49 2.710 -1.301 5.267 335 HE22 GLN 49 2HE2 GLN 49 3.894 -0.742 6.401 336 H GLY 50 H GLY 50 1.341 -0.809 1.120 337 HA2 GLY 50 1HA GLY 50 0.644 1.944 1.952 338 HA3 GLY 50 2HA GLY 50 -0.353 0.979 0.882 339 H SER 51 H SER 51 0.196 1.880 4.117 340 HA SER 51 HA SER 51 -1.243 -0.482 5.042 341 HB2 SER 51 1HB SER 51 1.093 0.040 6.007 342 HB3 SER 51 2HB SER 51 0.364 1.435 6.777 343 HG SER 51 HG SER 51 -1.266 -0.593 7.366 344 H VAL 52 H VAL 52 -3.099 -0.161 6.416 345 HA VAL 52 HA VAL 52 -4.008 2.630 6.548 346 HB VAL 52 HB VAL 52 -5.204 0.284 5.293 347 HG11 VAL 52 1HG1 VAL 52 -6.458 0.270 7.449 348 HG12 VAL 52 2HG1 VAL 52 -6.986 1.936 7.113 349 HG13 VAL 52 3HG1 VAL 52 -7.484 0.610 6.035 350 HG21 VAL 52 1HG2 VAL 52 -6.407 3.009 5.124 351 HG22 VAL 52 2HG2 VAL 52 -4.738 2.812 4.538 352 HG23 VAL 52 3HG2 VAL 52 -6.047 1.829 3.840 353 H ALA 53 H ALA 53 -5.670 2.971 8.318 354 HA ALA 53 HA ALA 53 -5.397 1.023 10.477 355 HB1 ALA 53 1HB ALA 53 -5.034 3.065 12.016 356 HB2 ALA 53 2HB ALA 53 -3.648 2.518 11.042 357 HB3 ALA 53 3HB ALA 53 -4.586 3.943 10.534 358 H ASN 54 H ASN 54 -7.466 0.440 10.900 359 HA ASN 54 HA ASN 54 -9.449 2.569 10.715 360 HB2 ASN 54 1HB ASN 54 -10.912 0.215 10.764 361 HB3 ASN 54 2HB ASN 54 -10.443 1.051 9.297 362 HD21 ASN 54 1HD2 ASN 54 -10.268 -0.747 8.049 363 HD22 ASN 54 2HD2 ASN 54 -9.031 -1.947 8.224 364 H ARG 55 H ARG 55 -11.446 1.999 12.277 365 HA ARG 55 HA ARG 55 -10.445 1.978 14.852 366 HB2 ARG 55 1HB ARG 55 -13.047 2.193 13.526 367 HB3 ARG 55 2HB ARG 55 -13.195 1.224 14.979 368 HG2 ARG 55 1HG ARG 55 -11.962 3.061 16.246 369 HG3 ARG 55 2HG ARG 55 -12.023 4.038 14.792 370 HD2 ARG 55 1HD ARG 55 -13.900 4.630 16.284 371 HD3 ARG 55 2HD ARG 55 -14.516 3.925 14.802 372 HE ARG 55 HE ARG 55 -14.566 2.696 17.489 373 HH11 ARG 55 2HH2 ARG 55 -15.022 2.241 14.029 374 HH12 ARG 55 1HH2 ARG 55 -15.989 0.816 14.215 375 HH21 ARG 55 2HH1 ARG 55 -15.842 0.816 17.734 376 HH22 ARG 55 1HH1 ARG 55 -16.459 0.000 16.337 377 H THR 56 H THR 56 -11.040 -0.592 12.632 378 HA THR 56 HA THR 56 -11.613 -2.567 14.683 379 HB THR 56 HB THR 56 -11.797 -4.063 12.698 380 HG1 THR 56 1HG THR 56 -10.133 -3.155 11.386 381 HG21 THR 56 1HG2 THR 56 -13.154 -1.365 12.668 382 HG22 THR 56 2HG2 THR 56 -13.290 -2.377 11.210 383 HG23 THR 56 3HG2 THR 56 -13.879 -2.987 12.776 384 H GLY 57 H GLY 57 -8.870 -1.209 12.950 385 HA2 GLY 57 1HA GLY 57 -6.920 -2.102 14.587 386 HA3 GLY 57 2HA GLY 57 -7.143 -3.460 13.503 387 H SER 58 H SER 58 -5.772 -3.467 11.784 388 HA SER 58 HA SER 58 -5.485 -1.095 10.249 389 HB2 SER 58 1HB SER 58 -2.966 -1.066 10.399 390 HB3 SER 58 2HB SER 58 -3.773 -0.566 11.872 391 HG SER 58 HG SER 58 -2.122 -2.767 11.404 392 H VAL 59 H VAL 59 -4.192 -1.559 8.206 393 HA VAL 59 HA VAL 59 -3.886 -4.426 7.717 394 HB VAL 59 HB VAL 59 -4.938 -3.944 5.435 395 HG11 VAL 59 1HG1 VAL 59 -6.174 -4.509 8.033 396 HG12 VAL 59 2HG1 VAL 59 -7.325 -3.872 6.834 397 HG13 VAL 59 3HG1 VAL 59 -6.371 -5.329 6.466 398 HG21 VAL 59 1HG2 VAL 59 -6.809 -2.147 5.719 399 HG22 VAL 59 2HG2 VAL 59 -5.728 -1.471 6.961 400 HG23 VAL 59 3HG2 VAL 59 -5.161 -1.634 5.281 401 H GLU 60 H GLU 60 -2.727 -4.723 5.482 402 HA GLU 60 HA GLU 60 -1.097 -2.478 4.780 403 HB2 GLU 60 1HB GLU 60 -0.013 -4.869 6.271 404 HB3 GLU 60 2HB GLU 60 0.994 -4.107 5.056 405 HG2 GLU 60 1HG GLU 60 0.683 -1.894 6.203 406 HG3 GLU 60 2HG GLU 60 -0.296 -2.676 7.428 407 H ALA 61 H ALA 61 0.215 -2.934 2.787 408 HA ALA 61 HA ALA 61 -0.043 -5.389 1.437 409 HB1 ALA 61 1HB ALA 61 -1.577 -3.467 -0.165 410 HB2 ALA 61 2HB ALA 61 -1.931 -5.169 0.221 411 HB3 ALA 61 3HB ALA 61 -2.387 -3.883 1.365 412 H GLN 62 H GLN 62 1.264 -5.405 -0.460 413 HA GLN 62 HA GLN 62 2.424 -2.845 -1.165 414 HB2 GLN 62 1HB GLN 62 4.058 -5.325 -0.466 415 HB3 GLN 62 2HB GLN 62 4.718 -3.850 -1.144 416 HG2 GLN 62 1HG GLN 62 4.658 -2.759 0.863 417 HG3 GLN 62 2HG GLN 62 3.043 -3.332 1.231 418 HE21 GLN 62 1HE2 GLN 62 2.766 -4.882 2.673 419 HE22 GLN 62 2HE2 GLN 62 4.007 -5.846 3.401 420 H THR 63 H THR 63 4.023 -3.298 -3.189 421 HA THR 63 HA THR 63 2.481 -5.043 -4.988 422 HB THR 63 HB THR 63 3.349 -3.477 -6.755 423 HG1 THR 63 1HG THR 63 5.298 -2.823 -5.677 424 HG21 THR 63 1HG2 THR 63 1.685 -1.959 -6.331 425 HG22 THR 63 2HG2 THR 63 1.403 -2.840 -4.810 426 HG23 THR 63 3HG2 THR 63 2.478 -1.421 -4.831 427 H ALA 64 H ALA 64 4.051 -5.580 -7.028 428 HA ALA 64 HA ALA 64 5.935 -7.390 -5.885 429 HB1 ALA 64 1HB ALA 64 4.562 -7.977 -7.833 430 HB2 ALA 64 2HB ALA 64 5.284 -6.645 -8.766 431 HB3 ALA 64 3HB ALA 64 6.288 -8.025 -8.262 432 H LEU 65 H LEU 65 8.163 -7.243 -5.782 433 HA LEU 65 HA LEU 65 9.350 -4.780 -5.662 434 HB2 LEU 65 1HB LEU 65 10.262 -7.593 -5.816 435 HB3 LEU 65 2HB LEU 65 11.459 -6.371 -6.198 436 HG LEU 65 HG LEU 65 11.503 -7.089 -3.833 437 HD11 LEU 65 1HD1 LEU 65 12.134 -4.741 -4.703 438 HD12 LEU 65 2HD1 LEU 65 10.644 -4.204 -3.890 439 HD13 LEU 65 3HD1 LEU 65 11.940 -4.981 -2.950 440 HD21 LEU 65 1HD2 LEU 65 8.642 -6.349 -3.987 441 HD22 LEU 65 2HD2 LEU 65 9.472 -7.561 -2.981 442 HD23 LEU 65 3HD2 LEU 65 9.500 -5.845 -2.511 443 H LYS 66 H LYS 66 10.762 -3.582 -7.051 444 HA LYS 66 HA LYS 66 10.757 -4.418 -9.845 445 HB2 LYS 66 1HB LYS 66 9.473 -1.940 -8.737 446 HB3 LYS 66 2HB LYS 66 10.243 -1.873 -10.309 447 HG2 LYS 66 1HG LYS 66 8.554 -4.278 -9.977 448 HG3 LYS 66 2HG LYS 66 7.647 -2.790 -9.789 449 HD2 LYS 66 1HD LYS 66 8.721 -1.979 -11.976 450 HD3 LYS 66 2HD LYS 66 9.365 -3.596 -12.179 451 HE2 LYS 66 1HE LYS 66 7.215 -4.565 -12.456 452 HE3 LYS 66 2HE LYS 66 6.401 -3.235 -11.656 453 HZ1 LYS 66 1HZ LYS 66 7.285 -1.877 -13.599 454 HZ2 LYS 66 2HZ LYS 66 7.517 -3.308 -14.350 455 HZ3 LYS 66 3HZ LYS 66 6.018 -2.870 -13.874 456 H LYS 67 H LYS 67 12.630 -3.849 -10.952 457 HA LYS 67 HA LYS 67 14.884 -3.322 -9.398 458 HB2 LYS 67 1HB LYS 67 15.341 -4.497 -11.326 459 HB3 LYS 67 2HB LYS 67 14.275 -3.523 -12.319 460 HG2 LYS 67 1HG LYS 67 15.906 -1.983 -12.785 461 HG3 LYS 67 2HG LYS 67 16.489 -1.955 -11.132 462 HD2 LYS 67 1HD LYS 67 18.254 -2.863 -12.550 463 HD3 LYS 67 2HD LYS 67 17.653 -4.153 -11.528 464 HE2 LYS 67 1HE LYS 67 16.048 -4.724 -13.514 465 HE3 LYS 67 2HE LYS 67 17.078 -3.687 -14.480 466 HZ1 LYS 67 1HZ LYS 67 17.627 -6.275 -13.397 467 HZ2 LYS 67 2HZ LYS 67 18.251 -5.544 -14.717 468 HZ3 LYS 67 3HZ LYS 67 18.860 -5.217 -13.238 469 H ARG 68 H ARG 68 15.504 -1.476 -8.427 470 HA ARG 68 HA ARG 68 14.264 0.830 -8.445 471 HB2 ARG 68 1HB ARG 68 16.385 0.140 -7.149 472 HB3 ARG 68 2HB ARG 68 17.317 0.702 -8.523 473 HG2 ARG 68 1HG ARG 68 17.292 2.712 -7.422 474 HG3 ARG 68 2HG ARG 68 15.702 2.883 -8.137 475 HD2 ARG 68 1HD ARG 68 14.620 2.020 -6.114 476 HD3 ARG 68 2HD ARG 68 16.165 1.581 -5.413 477 HE ARG 68 HE ARG 68 16.096 4.403 -6.083 478 HH11 ARG 68 2HH2 ARG 68 15.012 2.064 -3.687 479 HH12 ARG 68 1HH2 ARG 68 14.916 3.228 -2.408 480 HH21 ARG 68 2HH1 ARG 68 15.970 5.939 -4.395 481 HH22 ARG 68 1HH1 ARG 68 15.464 5.447 -2.813 482 H GLN 69 H GLN 69 13.905 2.581 -9.816 483 HA GLN 69 HA GLN 69 15.719 2.941 -12.028 484 HB2 GLN 69 1HB GLN 69 12.809 2.179 -12.297 485 HB3 GLN 69 2HB GLN 69 13.511 3.261 -13.483 486 HG2 GLN 69 1HG GLN 69 14.608 0.505 -12.748 487 HG3 GLN 69 2HG GLN 69 13.677 0.870 -14.187 488 HE21 GLN 69 1HE2 GLN 69 16.566 0.050 -13.448 489 HE22 GLN 69 2HE2 GLN 69 17.566 1.048 -14.451 490 H LEU 70 H LEU 70 15.140 5.070 -13.243 491 HA LEU 70 HA LEU 70 14.945 7.108 -11.323 492 HB2 LEU 70 1HB LEU 70 15.762 6.830 -13.972 493 HB3 LEU 70 2HB LEU 70 14.410 7.943 -14.053 494 HG LEU 70 HG LEU 70 16.383 9.245 -13.859 495 HD11 LEU 70 1HD1 LEU 70 15.001 9.131 -11.165 496 HD12 LEU 70 2HD1 LEU 70 16.050 10.453 -11.730 497 HD13 LEU 70 3HD1 LEU 70 14.522 10.107 -12.574 498 HD21 LEU 70 1HD2 LEU 70 17.514 7.108 -12.604 499 HD22 LEU 70 2HD2 LEU 70 18.233 8.734 -12.695 500 HD23 LEU 70 3HD2 LEU 70 17.318 8.245 -11.248 501 H HIS 71 H HIS 71 12.570 5.255 -13.102 502 HA HIS 71 HA HIS 71 10.496 6.652 -11.715 503 HB2 HIS 71 1HB HIS 71 10.910 8.043 -13.775 504 HB3 HIS 71 2HB HIS 71 10.432 6.662 -14.743 505 HD1 HIS 71 1HD HIS 71 8.520 8.442 -15.561 506 HD2 HIS 71 2HD HIS 71 8.180 6.955 -11.654 507 HE1 HIS 71 1HE HIS 71 6.122 8.910 -14.824 508 H THR 72 H THR 72 10.535 4.452 -10.779 509 HA THR 72 HA THR 72 9.941 2.221 -12.454 510 HB THR 72 HB THR 72 9.788 2.654 -9.423 511 HG1 THR 72 1HG THR 72 11.978 2.332 -9.641 512 HG21 THR 72 1HG2 THR 72 8.607 0.559 -10.229 513 HG22 THR 72 2HG2 THR 72 10.105 0.087 -11.066 514 HG23 THR 72 3HG2 THR 72 10.077 0.206 -9.290 515 H THR 73 H THR 73 7.996 0.941 -12.473 516 HA THR 73 HA THR 73 5.591 2.276 -11.531 517 HB THR 73 HB THR 73 4.620 2.032 -13.901 518 HG1 THR 73 1HG THR 73 6.213 0.662 -14.824 519 HG21 THR 73 1HG2 THR 73 5.333 4.157 -14.551 520 HG22 THR 73 2HG2 THR 73 5.906 4.194 -12.866 521 HG23 THR 73 3HG2 THR 73 7.039 3.803 -14.183 522 H TRP 74 H TRP 74 3.857 0.888 -11.161 523 HA TRP 74 HA TRP 74 4.567 -1.949 -11.470 524 HB2 TRP 74 1HB TRP 74 2.985 -0.533 -9.323 525 HB3 TRP 74 2HB TRP 74 2.995 -2.273 -9.526 526 HD1 TRP 74 HD TRP 74 5.192 -3.579 -8.677 527 HE1 TRP 74 1HE TRP 74 7.328 -2.959 -7.256 528 HE3 TRP 74 3HE TRP 74 4.567 1.458 -8.966 529 HZ2 TRP 74 2HZ TRP 74 8.489 -0.486 -6.430 530 HZ3 TRP 74 3HZ TRP 74 6.246 2.905 -7.824 531 HH2 TRP 74 HH TRP 74 8.155 2.008 -6.589 532 H GLU 75 H GLU 75 2.784 -3.393 -12.062 533 HA GLU 75 HA GLU 75 0.813 -1.951 -13.627 534 HB2 GLU 75 1HB GLU 75 2.447 -3.980 -14.384 535 HB3 GLU 75 2HB GLU 75 1.086 -4.931 -13.825 536 HG2 GLU 75 1HG GLU 75 -0.444 -3.730 -15.334 537 HG3 GLU 75 2HG GLU 75 0.827 -2.619 -15.805 538 H GLU 76 H GLU 76 0.739 -2.343 -10.621 539 HA GLU 76 HA GLU 76 -1.959 -3.306 -10.572 540 HB2 GLU 76 1HB GLU 76 -1.653 -4.995 -8.892 541 HB3 GLU 76 2HB GLU 76 -0.488 -5.339 -10.156 542 HG2 GLU 76 1HG GLU 76 1.208 -3.952 -8.769 543 HG3 GLU 76 2HG GLU 76 0.038 -4.009 -7.465 544 H GLY 77 H GLY 77 -2.526 -3.269 -7.890 545 HA2 GLY 77 1HA GLY 77 -1.300 -0.858 -6.757 546 HA3 GLY 77 2HA GLY 77 -3.019 -0.833 -7.095 547 H LEU 78 H LEU 78 -2.089 -0.507 -4.466 548 HA LEU 78 HA LEU 78 -2.137 -3.043 -3.132 549 HB2 LEU 78 1HB LEU 78 -2.268 -0.237 -2.021 550 HB3 LEU 78 2HB LEU 78 -1.980 -1.702 -1.105 551 HG LEU 78 HG LEU 78 -0.157 -0.418 -3.149 552 HD11 LEU 78 1HD1 LEU 78 -0.148 -0.709 -0.167 553 HD12 LEU 78 2HD1 LEU 78 1.397 -0.636 -1.047 554 HD13 LEU 78 3HD1 LEU 78 0.233 0.703 -1.182 555 HD21 LEU 78 1HD2 LEU 78 -0.157 -2.867 -3.454 556 HD22 LEU 78 2HD2 LEU 78 1.397 -2.251 -2.843 557 HD23 LEU 78 3HD2 LEU 78 0.266 -3.066 -1.737 558 H VAL 79 H VAL 79 -3.749 -3.275 -1.192 559 HA VAL 79 HA VAL 79 -6.337 -2.123 -1.727 560 HB VAL 79 HB VAL 79 -5.946 -5.116 -1.876 561 HG11 VAL 79 1HG1 VAL 79 -8.337 -4.980 -2.754 562 HG12 VAL 79 2HG1 VAL 79 -8.108 -4.657 -1.018 563 HG13 VAL 79 3HG1 VAL 79 -8.357 -3.305 -2.150 564 HG21 VAL 79 1HG2 VAL 79 -6.423 -3.111 -4.105 565 HG22 VAL 79 2HG2 VAL 79 -4.984 -4.132 -3.869 566 HG23 VAL 79 3HG2 VAL 79 -6.548 -4.877 -4.281 567 H LEU 80 H LEU 80 -6.781 -1.369 0.282 568 HA LEU 80 HA LEU 80 -6.158 -3.170 2.518 569 HB2 LEU 80 1HB LEU 80 -6.141 -0.170 2.289 570 HB3 LEU 80 2HB LEU 80 -6.259 -0.975 3.841 571 HG LEU 80 HG LEU 80 -4.027 -0.858 3.858 572 HD11 LEU 80 1HD1 LEU 80 -4.154 -3.016 1.735 573 HD12 LEU 80 2HD1 LEU 80 -2.842 -2.730 2.904 574 HD13 LEU 80 3HD1 LEU 80 -4.439 -3.271 3.474 575 HD21 LEU 80 1HD2 LEU 80 -2.860 0.224 2.285 576 HD22 LEU 80 2HD2 LEU 80 -3.350 -0.906 1.000 577 HD23 LEU 80 3HD2 LEU 80 -4.431 0.428 1.472 578 HA PRO 81 HA PRO 81 -10.470 -3.346 2.986 579 HB2 PRO 81 1HB PRO 81 -10.555 -4.882 5.245 580 HB3 PRO 81 2HB PRO 81 -10.378 -5.553 3.636 581 HG2 PRO 81 1HG PRO 81 -8.333 -5.240 5.747 582 HG3 PRO 81 2HG PRO 81 -8.298 -6.267 4.328 583 HD2 PRO 81 1HD PRO 81 -6.902 -3.787 4.686 584 HD3 PRO 81 2HD PRO 81 -6.960 -4.756 3.228 585 H LEU 82 H LEU 82 -11.814 -1.766 3.553 586 HA LEU 82 HA LEU 82 -11.660 -0.889 6.298 587 HB2 LEU 82 1HB LEU 82 -10.033 0.577 5.508 588 HB3 LEU 82 2HB LEU 82 -10.851 0.833 3.979 589 HG LEU 82 HG LEU 82 -12.718 1.934 5.447 590 HD11 LEU 82 1HD1 LEU 82 -11.776 3.074 7.454 591 HD12 LEU 82 2HD1 LEU 82 -11.927 1.309 7.624 592 HD13 LEU 82 3HD1 LEU 82 -10.334 2.041 7.312 593 HD21 LEU 82 1HD2 LEU 82 -10.589 3.867 5.518 594 HD22 LEU 82 2HD2 LEU 82 -10.474 2.895 4.031 595 HD23 LEU 82 3HD2 LEU 82 -11.984 3.756 4.417 596 H ALA 83 H ALA 83 -13.592 0.236 6.968 597 HA ALA 83 HA ALA 83 -15.823 -0.399 5.203 598 HB1 ALA 83 1HB ALA 83 -16.767 -1.029 7.139 599 HB2 ALA 83 2HB ALA 83 -15.313 -0.508 8.024 600 HB3 ALA 83 3HB ALA 83 -16.644 0.641 7.743 601 H GLU 84 H GLU 84 -17.182 1.151 4.321 602 HA GLU 84 HA GLU 84 -16.161 3.639 3.857 603 HB2 GLU 84 1HB GLU 84 -18.027 2.386 2.617 604 HB3 GLU 84 2HB GLU 84 -19.130 2.960 3.853 605 HG2 GLU 84 1HG GLU 84 -17.927 5.324 3.217 606 HG3 GLU 84 2HG GLU 84 -17.737 4.496 1.684 607 H GLU 85 H GLU 85 -17.743 2.399 6.698 608 HA GLU 85 HA GLU 85 -18.632 4.978 7.563 609 HB2 GLU 85 1HB GLU 85 -19.311 3.746 9.633 610 HB3 GLU 85 2HB GLU 85 -19.967 3.033 8.173 611 HG2 GLU 85 1HG GLU 85 -18.496 1.181 8.248 612 HG3 GLU 85 2HG GLU 85 -17.316 2.025 9.231 613 H GLU 86 H GLU 86 -15.662 3.341 7.417 614 HA GLU 86 HA GLU 86 -14.707 4.785 9.765 615 HB2 GLU 86 1HB GLU 86 -13.395 2.402 8.386 616 HB3 GLU 86 2HB GLU 86 -12.872 3.155 9.879 617 HG2 GLU 86 1HG GLU 86 -15.567 2.578 10.384 618 HG3 GLU 86 2HG GLU 86 -15.049 1.208 9.422 619 H LEU 87 H LEU 87 -14.924 4.930 6.421 620 HA LEU 87 HA LEU 87 -12.484 5.449 5.407 621 HB2 LEU 87 1HB LEU 87 -15.211 6.536 4.919 622 HB3 LEU 87 2HB LEU 87 -13.864 7.359 4.159 623 HG LEU 87 HG LEU 87 -14.338 4.384 3.874 624 HD11 LEU 87 1HD1 LEU 87 -15.798 4.659 2.184 625 HD12 LEU 87 2HD1 LEU 87 -16.129 6.212 2.988 626 HD13 LEU 87 3HD1 LEU 87 -15.016 6.148 1.601 627 HD21 LEU 87 1HD2 LEU 87 -12.739 4.403 2.181 628 HD22 LEU 87 2HD2 LEU 87 -12.826 6.169 1.978 629 HD23 LEU 87 3HD2 LEU 87 -12.045 5.476 3.420 630 HA PRO 88 HA PRO 88 -12.557 9.767 7.330 631 HB2 PRO 88 1HB PRO 88 -14.446 10.407 9.198 632 HB3 PRO 88 2HB PRO 88 -14.602 10.811 7.500 633 HG2 PRO 88 1HG PRO 88 -15.980 8.694 9.035 634 HG3 PRO 88 2HG PRO 88 -16.415 9.386 7.485 635 HD2 PRO 88 1HD PRO 88 -15.177 6.839 7.941 636 HD3 PRO 88 2HD PRO 88 -15.507 7.581 6.388 637 H THR 89 H THR 89 -13.339 7.045 9.284 638 HA THR 89 HA THR 89 -11.557 8.063 11.378 639 HB THR 89 HB THR 89 -12.741 6.606 12.821 640 HG1 THR 89 1HG THR 89 -12.685 4.591 11.866 641 HG21 THR 89 1HG2 THR 89 -15.023 6.522 10.921 642 HG22 THR 89 2HG2 THR 89 -14.939 7.236 12.550 643 HG23 THR 89 3HG2 THR 89 -14.347 8.154 11.144 644 H ALA 90 H ALA 90 -10.619 7.190 8.676 645 HA ALA 90 HA ALA 90 -8.695 5.253 9.693 646 HB1 ALA 90 1HB ALA 90 -8.941 3.943 7.549 647 HB2 ALA 90 2HB ALA 90 -10.345 3.834 8.638 648 HB3 ALA 90 3HB ALA 90 -10.410 4.888 7.206 649 H THR 91 H THR 91 -6.664 5.310 8.521 650 HA THR 91 HA THR 91 -6.430 7.437 6.531 651 HB THR 91 HB THR 91 -4.437 7.325 8.808 652 HG1 THR 91 1HG THR 91 -7.058 8.647 8.688 653 HG21 THR 91 1HG2 THR 91 -5.726 9.731 7.445 654 HG22 THR 91 2HG2 THR 91 -4.188 9.669 8.340 655 HG23 THR 91 3HG2 THR 91 -4.314 8.912 6.733 656 H LEU 92 H LEU 92 -5.026 6.986 4.907 657 HA LEU 92 HA LEU 92 -3.688 4.397 5.139 658 HB2 LEU 92 1HB LEU 92 -5.095 4.356 3.307 659 HB3 LEU 92 2HB LEU 92 -4.768 6.022 2.871 660 HG LEU 92 HG LEU 92 -3.837 4.336 1.291 661 HD11 LEU 92 1HD1 LEU 92 -2.471 5.986 0.727 662 HD12 LEU 92 2HD1 LEU 92 -2.580 6.656 2.373 663 HD13 LEU 92 3HD1 LEU 92 -1.316 5.466 1.979 664 HD21 LEU 92 1HD2 LEU 92 -3.005 3.015 3.583 665 HD22 LEU 92 2HD2 LEU 92 -2.546 2.630 1.907 666 HD23 LEU 92 3HD2 LEU 92 -1.499 3.672 2.900 667 H THR 93 H THR 93 -1.463 4.163 4.844 668 HA THR 93 HA THR 93 0.037 6.659 4.443 669 HB THR 93 HB THR 93 0.365 4.552 6.639 670 HG1 THR 93 1HG THR 93 0.173 7.474 6.623 671 HG21 THR 93 1HG2 THR 93 2.104 7.006 6.065 672 HG22 THR 93 2HG2 THR 93 2.321 5.828 7.382 673 HG23 THR 93 3HG2 THR 93 2.607 5.339 5.694 674 H LEU 94 H LEU 94 1.536 6.545 2.889 675 HA LEU 94 HA LEU 94 2.058 3.892 1.798 676 HB2 LEU 94 1HB LEU 94 1.892 6.628 0.750 677 HB3 LEU 94 2HB LEU 94 3.249 5.712 0.127 678 HG LEU 94 HG LEU 94 1.824 4.027 -0.788 679 HD11 LEU 94 1HD1 LEU 94 0.181 4.350 1.285 680 HD12 LEU 94 2HD1 LEU 94 -0.722 5.303 0.084 681 HD13 LEU 94 3HD1 LEU 94 -0.339 3.596 -0.241 682 HD21 LEU 94 1HD2 LEU 94 1.813 5.555 -2.444 683 HD22 LEU 94 2HD2 LEU 94 0.089 5.694 -2.022 684 HD23 LEU 94 3HD2 LEU 94 1.260 6.871 -1.380 685 H THR 95 H THR 95 4.020 2.887 1.941 686 HA THR 95 HA THR 95 6.257 4.498 2.961 687 HB THR 95 HB THR 95 6.319 1.782 3.991 688 HG1 THR 95 1HG THR 95 4.184 1.615 4.557 689 HG21 THR 95 1HG2 THR 95 5.680 4.406 5.435 690 HG22 THR 95 2HG2 THR 95 6.304 2.911 6.173 691 HG23 THR 95 3HG2 THR 95 7.333 3.856 5.070 692 H LEU 96 H LEU 96 8.147 4.245 1.908 693 HA LEU 96 HA LEU 96 8.172 2.125 -0.122 694 HB2 LEU 96 1HB LEU 96 8.185 4.262 -1.140 695 HB3 LEU 96 2HB LEU 96 9.401 4.873 -0.036 696 HG LEU 96 HG LEU 96 11.029 3.224 -1.041 697 HD11 LEU 96 1HD1 LEU 96 8.968 1.903 -2.048 698 HD12 LEU 96 2HD1 LEU 96 9.250 2.990 -3.429 699 HD13 LEU 96 3HD1 LEU 96 10.554 1.923 -2.857 700 HD21 LEU 96 1HD2 LEU 96 11.758 4.853 -2.393 701 HD22 LEU 96 2HD2 LEU 96 10.255 4.873 -3.347 702 HD23 LEU 96 3HD2 LEU 96 10.344 5.763 -1.808 703 H ARG 97 H ARG 97 9.087 0.383 0.922 704 HA ARG 97 HA ARG 97 11.465 0.930 2.470 705 HB2 ARG 97 1HB ARG 97 9.462 -1.313 2.322 706 HB3 ARG 97 2HB ARG 97 11.097 -1.754 2.775 707 HG2 ARG 97 1HG ARG 97 10.865 -0.854 4.852 708 HG3 ARG 97 2HG ARG 97 10.253 0.657 4.208 709 HD2 ARG 97 1HD ARG 97 7.988 -0.137 4.172 710 HD3 ARG 97 2HD ARG 97 8.479 -1.813 4.318 711 HE ARG 97 HE ARG 97 9.315 -0.147 6.585 712 HH11 ARG 97 2HH2 ARG 97 6.746 -2.152 5.259 713 HH12 ARG 97 1HH2 ARG 97 6.037 -2.488 6.803 714 HH21 ARG 97 2HH1 ARG 97 8.381 -0.590 8.622 715 HH22 ARG 97 1HH1 ARG 97 6.974 -1.594 8.729 716 H THR 98 H THR 98 13.502 -0.138 2.006 717 HA THR 98 HA THR 98 13.673 -1.088 -0.769 718 HB THR 98 HB THR 98 16.156 -0.488 -0.349 719 HG1 THR 98 1HG THR 98 16.442 0.741 1.616 720 HG21 THR 98 1HG2 THR 98 14.169 1.146 -1.232 721 HG22 THR 98 2HG2 THR 98 14.548 1.974 0.298 722 HG23 THR 98 3HG2 THR 98 15.817 1.747 -0.929 723 H CYS 99 H CYS 99 14.042 -3.167 -1.212 724 HA CYS 99 HA CYS 99 14.198 -5.016 0.896 725 HB2 CYS 99 1HB CYS 99 13.232 -5.331 -1.477 726 HB3 CYS 99 2HB CYS 99 14.883 -5.625 -1.986 727 HG CYS 99 HG CYS 99 14.896 -7.917 -1.424 728 H ASP 100 H ASP 100 16.041 -4.752 2.205 729 HA ASP 100 HA ASP 100 18.569 -5.019 0.774 730 HB2 ASP 100 1HB ASP 100 17.802 -3.381 3.212 731 HB3 ASP 100 2HB ASP 100 19.465 -3.889 2.994 732 H ARG 101 H ARG 101 20.336 -5.809 2.600 733 HA ARG 101 HA ARG 101 19.786 -8.351 3.204 734 HB2 ARG 101 1HB ARG 101 22.027 -7.126 3.366 735 HB3 ARG 101 2HB ARG 101 21.531 -6.535 4.939 736 HG2 ARG 101 1HG ARG 101 21.967 -8.532 5.955 737 HG3 ARG 101 2HG ARG 101 21.151 -9.447 4.702 738 HD2 ARG 101 1HD ARG 101 23.568 -8.376 3.549 739 HD3 ARG 101 2HD ARG 101 23.994 -9.085 5.094 740 HE ARG 101 HE ARG 101 23.404 -11.222 4.279 741 HH11 ARG 101 2HH2 ARG 101 22.384 -8.729 2.014 742 HH12 ARG 101 1HH2 ARG 101 22.018 -9.852 0.746 743 HH21 ARG 101 2HH1 ARG 101 22.921 -12.703 2.607 744 HH22 ARG 101 1HH1 ARG 101 22.325 -12.127 1.086 745 H PHE 102 H PHE 102 19.508 -5.511 5.463 746 HA PHE 102 HA PHE 102 17.841 -7.205 7.183 747 HB2 PHE 102 1HB PHE 102 19.329 -4.579 7.770 748 HB3 PHE 102 2HB PHE 102 18.586 -5.622 8.966 749 HD1 PHE 102 1HD PHE 102 19.534 -8.046 9.118 750 HD2 PHE 102 2HD PHE 102 21.590 -4.814 7.292 751 HE1 PHE 102 1HE PHE 102 21.709 -9.267 9.403 752 HE2 PHE 102 2HE PHE 102 23.764 -6.035 7.577 753 HZ PHE 102 HZ PHE 102 23.797 -8.247 8.630 754 H SER 103 H SER 103 18.200 -3.982 5.613 755 HA SER 103 HA SER 103 16.723 -2.515 4.990 756 HB2 SER 103 1HB SER 103 14.409 -4.284 5.835 757 HB3 SER 103 2HB SER 103 14.458 -3.108 4.537 758 HG SER 103 HG SER 103 16.342 -5.208 4.334 759 H ARG 104 H ARG 104 17.834 -2.304 7.557 760 HA ARG 104 HA ARG 104 15.754 -1.892 9.439 761 HB2 ARG 104 1HB ARG 104 17.597 -1.098 10.919 762 HB3 ARG 104 2HB ARG 104 18.011 -2.622 10.159 763 HG2 ARG 104 1HG ARG 104 19.384 -1.470 8.470 764 HG3 ARG 104 2HG ARG 104 18.871 0.096 9.064 765 HD2 ARG 104 1HD ARG 104 19.929 -0.427 11.292 766 HD3 ARG 104 2HD ARG 104 20.483 -1.962 10.651 767 HE ARG 104 HE ARG 104 21.483 -0.198 8.805 768 HH11 ARG 104 2HH2 ARG 104 21.604 -0.253 12.321 769 HH12 ARG 104 1HH2 ARG 104 23.123 0.575 12.409 770 HH21 ARG 104 2HH1 ARG 104 23.487 0.894 8.920 771 HH22 ARG 104 1HH1 ARG 104 24.201 1.232 10.462 772 H HIS 105 H HIS 105 16.267 0.456 10.766 773 HA HIS 105 HA HIS 105 16.019 2.638 10.747 774 HB2 HIS 105 1HB HIS 105 17.721 2.163 8.466 775 HB3 HIS 105 2HB HIS 105 16.646 3.503 8.123 776 HD1 HIS 105 1HD HIS 105 19.641 4.054 8.444 777 HD2 HIS 105 2HD HIS 105 16.902 4.249 11.615 778 HE1 HIS 105 1HE HIS 105 20.696 5.566 10.209 779 H SER 106 H SER 106 14.848 4.525 9.277 780 HA SER 106 HA SER 106 12.232 3.587 9.060 781 HB2 SER 106 1HB SER 106 13.315 6.189 7.906 782 HB3 SER 106 2HB SER 106 11.673 5.863 8.424 783 HG SER 106 HG SER 106 13.932 6.555 9.941 784 H VAL 107 H VAL 107 10.972 4.503 6.857 785 HA VAL 107 HA VAL 107 11.955 2.754 4.811 786 HB VAL 107 HB VAL 107 9.892 3.253 3.704 787 HG11 VAL 107 1HG1 VAL 107 8.795 3.257 6.443 788 HG12 VAL 107 2HG1 VAL 107 8.622 2.062 5.136 789 HG13 VAL 107 3HG1 VAL 107 10.077 2.054 6.161 790 HG21 VAL 107 1HG2 VAL 107 8.990 5.222 5.763 791 HG22 VAL 107 2HG2 VAL 107 10.110 5.789 4.502 792 HG23 VAL 107 3HG2 VAL 107 8.546 5.072 4.046 793 H ALA 108 H ALA 108 11.824 3.687 2.427 794 HA ALA 108 HA ALA 108 13.848 5.692 2.313 795 HB1 ALA 108 1HB ALA 108 12.236 4.658 -0.029 796 HB2 ALA 108 2HB ALA 108 13.946 5.146 0.026 797 HB3 ALA 108 3HB ALA 108 13.431 3.622 0.787 798 H GLY 109 H GLY 109 10.401 5.693 2.545 799 HA2 GLY 109 1HA GLY 109 10.230 8.500 2.519 800 HA3 GLY 109 2HA GLY 109 9.716 7.895 0.957 801 H GLU 110 H GLU 110 8.434 8.981 3.714 802 HA GLU 110 HA GLU 110 6.393 6.900 3.805 803 HB2 GLU 110 1HB GLU 110 7.751 8.467 5.888 804 HB3 GLU 110 2HB GLU 110 6.008 8.575 6.030 805 HG2 GLU 110 1HG GLU 110 5.763 6.334 6.543 806 HG3 GLU 110 2HG GLU 110 7.066 5.834 5.483 807 H LEU 111 H LEU 111 4.295 7.421 3.235 808 HA LEU 111 HA LEU 111 3.705 10.275 2.914 809 HB2 LEU 111 1HB LEU 111 4.060 8.384 0.841 810 HB3 LEU 111 2HB LEU 111 2.339 8.696 0.944 811 HG LEU 111 HG LEU 111 4.206 11.038 0.918 812 HD11 LEU 111 1HD1 LEU 111 5.204 10.239 -0.938 813 HD12 LEU 111 2HD1 LEU 111 3.894 9.084 -1.283 814 HD13 LEU 111 3HD1 LEU 111 3.710 10.797 -1.729 815 HD21 LEU 111 1HD2 LEU 111 1.762 11.308 1.256 816 HD22 LEU 111 2HD2 LEU 111 2.375 12.140 -0.194 817 HD23 LEU 111 3HD2 LEU 111 1.492 10.603 -0.355 818 H ARG 112 H ARG 112 1.469 10.847 3.221 819 HA ARG 112 HA ARG 112 -0.079 8.685 4.396 820 HB2 ARG 112 1HB ARG 112 0.609 9.882 6.333 821 HB3 ARG 112 2HB ARG 112 0.534 11.434 5.523 822 HG2 ARG 112 1HG ARG 112 -1.993 11.162 5.375 823 HG3 ARG 112 2HG ARG 112 -1.848 9.705 6.337 824 HD2 ARG 112 1HD ARG 112 -1.186 10.882 8.279 825 HD3 ARG 112 2HD ARG 112 -0.591 12.257 7.372 826 HE ARG 112 HE ARG 112 -3.358 12.113 6.832 827 HH11 ARG 112 2HH2 ARG 112 -1.293 12.591 9.640 828 HH12 ARG 112 1HH2 ARG 112 -2.458 13.547 10.494 829 HH21 ARG 112 2HH1 ARG 112 -4.895 13.375 7.957 830 HH22 ARG 112 1HH1 ARG 112 -4.521 13.996 9.530 831 H LEU 113 H LEU 113 -2.262 8.650 3.761 832 HA LEU 113 HA LEU 113 -3.175 10.976 2.217 833 HB2 LEU 113 1HB LEU 113 -3.688 8.068 1.578 834 HB3 LEU 113 2HB LEU 113 -4.321 9.449 0.704 835 HG LEU 113 HG LEU 113 -2.414 8.328 -0.421 836 HD11 LEU 113 1HD1 LEU 113 -1.097 10.433 -0.854 837 HD12 LEU 113 2HD1 LEU 113 -2.860 10.570 -1.060 838 HD13 LEU 113 3HD1 LEU 113 -2.081 11.218 0.404 839 HD21 LEU 113 1HD2 LEU 113 -1.280 8.107 2.027 840 HD22 LEU 113 2HD2 LEU 113 -0.384 7.991 0.493 841 HD23 LEU 113 3HD2 LEU 113 -0.410 9.525 1.395 842 H GLY 114 H GLY 114 -5.740 10.712 1.927 843 HA2 GLY 114 1HA GLY 114 -6.842 9.847 4.529 844 HA3 GLY 114 2HA GLY 114 -7.201 11.424 3.852 845 H LEU 115 H LEU 115 -8.629 8.564 4.329 846 HA LEU 115 HA LEU 115 -9.685 8.195 1.651 847 HB2 LEU 115 1HB LEU 115 -10.585 6.670 4.062 848 HB3 LEU 115 2HB LEU 115 -10.511 6.166 2.385 849 HG LEU 115 HG LEU 115 -8.778 4.959 3.259 850 HD11 LEU 115 1HD1 LEU 115 -8.045 6.873 1.535 851 HD12 LEU 115 2HD1 LEU 115 -6.995 7.312 2.904 852 HD13 LEU 115 3HD1 LEU 115 -6.906 5.679 2.202 853 HD21 LEU 115 1HD2 LEU 115 -7.692 5.315 5.220 854 HD22 LEU 115 2HD2 LEU 115 -7.551 7.070 4.960 855 HD23 LEU 115 3HD2 LEU 115 -9.096 6.373 5.503 856 H ASP 116 H ASP 116 -10.139 10.497 3.874 857 HA ASP 116 HA ASP 116 -13.010 10.317 3.974 858 HB2 ASP 116 1HB ASP 116 -11.407 11.138 5.877 859 HB3 ASP 116 2HB ASP 116 -11.291 12.626 4.958 860 H GLY 117 H GLY 117 -10.541 11.464 1.909 861 HA2 GLY 117 1HA GLY 117 -10.696 12.617 -0.038 862 HA3 GLY 117 2HA GLY 117 -12.390 12.934 0.277 863 H THR 118 H THR 118 -9.036 13.967 1.048 864 HA THR 118 HA THR 118 -9.937 16.700 1.206 865 HB THR 118 HB THR 118 -8.993 15.109 3.625 866 HG1 THR 118 1HG THR 118 -11.151 15.547 3.878 867 HG21 THR 118 1HG2 THR 118 -8.317 17.056 4.762 868 HG22 THR 118 2HG2 THR 118 -7.679 17.400 3.136 869 HG23 THR 118 3HG2 THR 118 -9.216 18.127 3.661 870 H SER 119 H SER 119 -7.014 15.221 2.671 871 HA SER 119 HA SER 119 -5.340 16.960 1.358 872 HB2 SER 119 1HB SER 119 -4.954 14.320 2.779 873 HB3 SER 119 2HB SER 119 -3.594 15.040 1.941 874 HG SER 119 HG SER 119 -3.367 16.060 3.834 875 H VAL 120 H VAL 120 -6.669 13.783 0.431 876 HA VAL 120 HA VAL 120 -5.578 14.189 -2.234 877 HB VAL 120 HB VAL 120 -3.886 12.830 -1.359 878 HG11 VAL 120 1HG1 VAL 120 -4.066 11.370 0.349 879 HG12 VAL 120 2HG1 VAL 120 -5.659 12.123 0.603 880 HG13 VAL 120 3HG1 VAL 120 -5.529 10.608 -0.322 881 HG21 VAL 120 1HG2 VAL 120 -4.576 11.996 -3.489 882 HG22 VAL 120 2HG2 VAL 120 -4.277 10.583 -2.449 883 HG23 VAL 120 3HG2 VAL 120 -5.945 11.112 -2.773 884 HA PRO 121 HA PRO 121 -9.699 12.979 -2.942 885 HB2 PRO 121 1HB PRO 121 -9.715 13.279 -5.659 886 HB3 PRO 121 2HB PRO 121 -9.980 14.607 -4.547 887 HG2 PRO 121 1HG PRO 121 -7.573 13.981 -6.145 888 HG3 PRO 121 2HG PRO 121 -8.018 15.491 -5.376 889 HD2 PRO 121 1HD PRO 121 -6.071 13.601 -4.447 890 HD3 PRO 121 2HD PRO 121 -6.600 15.053 -3.620 891 H LEU 122 H LEU 122 -11.016 11.420 -4.333 892 HA LEU 122 HA LEU 122 -9.362 9.008 -4.478 893 HB2 LEU 122 1HB LEU 122 -12.306 9.466 -4.035 894 HB3 LEU 122 2HB LEU 122 -11.659 7.894 -4.459 895 HG LEU 122 HG LEU 122 -10.735 9.462 -2.041 896 HD11 LEU 122 1HD1 LEU 122 -13.118 7.712 -2.422 897 HD12 LEU 122 2HD1 LEU 122 -12.197 7.551 -0.907 898 HD13 LEU 122 3HD1 LEU 122 -12.883 9.127 -1.368 899 HD21 LEU 122 1HD2 LEU 122 -10.164 7.010 -1.348 900 HD22 LEU 122 2HD2 LEU 122 -10.223 6.701 -3.100 901 HD23 LEU 122 3HD2 LEU 122 -9.084 7.903 -2.445 902 H GLY 123 H GLY 123 -9.764 7.495 -6.288 903 HA2 GLY 123 1HA GLY 123 -9.874 7.051 -8.487 904 HA3 GLY 123 2HA GLY 123 -11.265 8.115 -8.545 905 H ALA 124 H ALA 124 -8.353 9.598 -7.319 906 HA ALA 124 HA ALA 124 -7.899 10.806 -9.963 907 HB1 ALA 124 1HB ALA 124 -8.982 12.160 -7.958 908 HB2 ALA 124 2HB ALA 124 -7.298 12.247 -7.389 909 HB3 ALA 124 3HB ALA 124 -7.734 12.906 -8.985 910 H ALA 125 H ALA 125 -5.647 11.484 -10.376 911 HA ALA 125 HA ALA 125 -3.765 9.856 -8.807 912 HB1 ALA 125 1HB ALA 125 -3.337 10.634 -11.693 913 HB2 ALA 125 2HB ALA 125 -2.657 9.264 -10.783 914 HB3 ALA 125 3HB ALA 125 -4.365 9.241 -11.283 915 H GLN 126 H GLN 126 -2.630 11.193 -7.486 916 HA GLN 126 HA GLN 126 -1.725 13.686 -8.701 917 HB2 GLN 126 1HB GLN 126 -1.736 14.415 -6.117 918 HB3 GLN 126 2HB GLN 126 -3.150 14.600 -7.136 919 HG2 GLN 126 1HG GLN 126 -2.699 12.023 -5.592 920 HG3 GLN 126 2HG GLN 126 -3.408 13.417 -4.801 921 HE21 GLN 126 1HE2 GLN 126 -4.539 10.800 -5.424 922 HE22 GLN 126 2HE2 GLN 126 -5.963 11.064 -6.373 923 H TRP 127 H TRP 127 0.447 14.308 -8.260 924 HA TRP 127 HA TRP 127 2.109 12.105 -7.398 925 HB2 TRP 127 1HB TRP 127 2.548 14.711 -8.803 926 HB3 TRP 127 2HB TRP 127 3.900 13.930 -8.007 927 HD1 TRP 127 HD TRP 127 1.671 13.586 -11.085 928 HE1 TRP 127 1HE TRP 127 2.530 11.693 -12.711 929 HE3 TRP 127 3HE TRP 127 5.129 11.675 -7.883 930 HZ2 TRP 127 2HZ TRP 127 4.514 9.654 -12.481 931 HZ3 TRP 127 3HZ TRP 127 6.485 9.734 -8.662 932 HH2 TRP 127 HH TRP 127 6.221 8.726 -10.873 933 H GLY 128 H GLY 128 2.292 11.857 -5.200 934 HA2 GLY 128 1HA GLY 128 2.416 14.297 -3.548 935 HA3 GLY 128 2HA GLY 128 1.944 12.699 -3.006 936 H GLU 129 H GLU 129 4.297 14.840 -2.519 937 HA GLU 129 HA GLU 129 6.607 13.340 -3.108 938 HB2 GLU 129 1HB GLU 129 6.035 15.965 -2.317 939 HB3 GLU 129 2HB GLU 129 6.871 15.304 -0.926 940 HG2 GLU 129 1HG GLU 129 8.849 14.880 -2.134 941 HG3 GLU 129 2HG GLU 129 8.017 14.778 -3.672 942 H LEU 130 H LEU 130 7.985 12.149 -1.663 943 HA LEU 130 HA LEU 130 6.507 10.845 0.432 944 HB2 LEU 130 1HB LEU 130 9.206 10.453 -0.836 945 HB3 LEU 130 2HB LEU 130 8.742 9.586 0.615 946 HG LEU 130 HG LEU 130 7.059 9.507 -1.893 947 HD11 LEU 130 1HD1 LEU 130 8.990 8.655 -2.801 948 HD12 LEU 130 2HD1 LEU 130 9.568 8.001 -1.250 949 HD13 LEU 130 3HD1 LEU 130 8.254 7.181 -2.128 950 HD21 LEU 130 1HD2 LEU 130 6.827 8.410 0.756 951 HD22 LEU 130 2HD2 LEU 130 5.686 8.333 -0.608 952 HD23 LEU 130 3HD2 LEU 130 6.951 7.094 -0.436 953 H LYS 131 H LYS 131 6.740 11.110 2.626 954 HA LYS 131 HA LYS 131 8.399 13.374 3.412 955 HB2 LYS 131 1HB LYS 131 6.133 11.917 4.800 956 HB3 LYS 131 2HB LYS 131 7.065 13.203 5.539 957 HG2 LYS 131 1HG LYS 131 5.626 13.530 2.867 958 HG3 LYS 131 2HG LYS 131 4.876 13.919 4.403 959 HD2 LYS 131 1HD LYS 131 5.816 15.979 4.233 960 HD3 LYS 131 2HD LYS 131 7.362 15.219 4.553 961 HE2 LYS 131 1HE LYS 131 6.811 14.744 1.788 962 HE3 LYS 131 2HE LYS 131 6.396 16.421 2.081 963 HZ1 LYS 131 1HZ LYS 131 8.949 15.188 2.076 964 HZ2 LYS 131 2HZ LYS 131 8.560 16.767 1.927 965 HZ3 LYS 131 3HZ LYS 131 8.716 16.101 3.410 966 H THR 132 H THR 132 10.222 11.668 2.806 967 HA THR 132 HA THR 132 10.842 9.462 4.191 968 HB THR 132 HB THR 132 13.214 10.151 3.816 969 HG1 THR 132 1HG THR 132 11.844 12.688 3.258 970 HG21 THR 132 1HG2 THR 132 12.141 11.575 1.484 971 HG22 THR 132 2HG2 THR 132 12.979 10.006 1.544 972 HG23 THR 132 3HG2 THR 132 11.219 10.086 1.798 973 H SER 133 H SER 133 11.516 8.793 6.185 974 HA SER 133 HA SER 133 11.964 8.861 8.312 975 HB2 SER 133 1HB SER 133 12.343 11.875 8.240 976 HB3 SER 133 2HB SER 133 13.072 10.724 9.342 977 HG SER 133 HG SER 133 13.669 11.163 6.557 978 H GLY 134 H GLY 134 10.619 8.896 10.148 979 HA2 GLY 134 1HA GLY 134 9.030 10.559 11.305 980 HA3 GLY 134 2HA GLY 134 8.110 10.400 9.822 981 HA PRO 135 HA PRO 135 7.039 6.964 12.702 982 HB2 PRO 135 1HB PRO 135 4.554 7.766 13.508 983 HB3 PRO 135 2HB PRO 135 6.003 8.040 14.454 984 HG2 PRO 135 1HG PRO 135 4.448 9.971 12.844 985 HG3 PRO 135 2HG PRO 135 5.617 10.288 14.110 986 HD2 PRO 135 1HD PRO 135 6.038 10.541 11.284 987 HD3 PRO 135 2HD PRO 135 7.237 10.746 12.545 988 H SER 136 H SER 136 6.130 5.082 12.030 989 HA SER 136 HA SER 136 4.947 5.294 9.453 990 HB2 SER 136 1HB SER 136 6.407 3.436 9.758 991 HB3 SER 136 2HB SER 136 5.683 2.999 11.292 992 HG SER 136 HG SER 136 5.078 2.009 8.889 993 H SER 137 H SER 137 3.916 3.874 12.649 994 HA SER 137 HA SER 137 1.187 4.513 11.842 995 HB2 SER 137 1HB SER 137 1.681 2.041 11.791 996 HB3 SER 137 2HB SER 137 2.073 2.108 13.497 997 HG SER 137 HG SER 137 -0.407 2.010 12.262 998 H GLY 138 H GLY 138 -0.320 4.738 13.823 999 HA2 GLY 138 1HA GLY 138 1.174 5.723 16.174 1000 HA3 GLY 138 2HA GLY 138 -0.082 6.682 15.418 Start of MODEL 18 1 H1 GLY 1 H GLY 1 12.360 7.685 24.938 2 HA2 GLY 1 1HA GLY 1 14.262 8.498 23.811 3 HA3 GLY 1 2HA GLY 1 13.620 7.912 22.289 4 H SER 2 H SER 2 14.562 10.603 22.723 5 HA SER 2 HA SER 2 12.083 11.967 22.124 6 HB2 SER 2 1HB SER 2 13.952 12.603 24.386 7 HB3 SER 2 2HB SER 2 13.303 13.963 23.492 8 HG SER 2 HG SER 2 11.369 12.038 24.137 9 H SER 3 H SER 3 12.484 14.057 20.928 10 HA SER 3 HA SER 3 13.465 15.259 19.409 11 HB2 SER 3 1HB SER 3 15.268 15.564 21.133 12 HB3 SER 3 2HB SER 3 16.117 14.183 20.468 13 HG SER 3 HG SER 3 17.032 15.588 19.143 14 H GLY 4 H GLY 4 14.940 15.090 17.328 15 HA2 GLY 4 1HA GLY 4 15.364 12.329 16.467 16 HA3 GLY 4 2HA GLY 4 14.158 13.261 15.602 17 H SER 5 H SER 5 15.332 13.320 13.623 18 HA SER 5 HA SER 5 17.431 15.292 13.667 19 HB2 SER 5 1HB SER 5 17.995 12.495 13.413 20 HB3 SER 5 2HB SER 5 18.233 13.201 11.827 21 HG SER 5 HG SER 5 19.355 14.385 14.211 22 H SER 6 H SER 6 18.030 15.875 11.258 23 HA SER 6 HA SER 6 15.574 15.627 9.702 24 HB2 SER 6 1HB SER 6 16.466 17.954 10.695 25 HB3 SER 6 2HB SER 6 17.493 17.912 9.275 26 HG SER 6 HG SER 6 15.427 19.015 8.927 27 H GLY 7 H GLY 7 16.109 16.132 7.216 28 HA2 GLY 7 1HA GLY 7 18.707 14.937 6.499 29 HA3 GLY 7 2HA GLY 7 17.219 14.246 5.882 30 H SER 8 H SER 8 15.912 15.428 4.353 31 HA SER 8 HA SER 8 15.529 16.789 2.706 32 HB2 SER 8 1HB SER 8 15.830 18.552 4.561 33 HB3 SER 8 2HB SER 8 17.445 18.812 3.934 34 HG SER 8 HG SER 8 14.936 19.515 2.823 35 H TRP 9 H TRP 9 16.303 16.660 0.612 36 HA TRP 9 HA TRP 9 19.091 17.125 0.081 37 HB2 TRP 9 1HB TRP 9 18.653 14.623 0.855 38 HB3 TRP 9 2HB TRP 9 18.129 14.445 -0.808 39 HD1 TRP 9 HD TRP 9 20.191 15.688 -2.596 40 HE1 TRP 9 1HE TRP 9 22.777 15.164 -2.644 41 HE3 TRP 9 3HE TRP 9 20.433 13.814 2.125 42 HZ2 TRP 9 2HZ TRP 9 24.593 14.050 -0.745 43 HZ3 TRP 9 3HZ TRP 9 22.651 13.030 2.951 44 HH2 TRP 9 HH TRP 9 24.685 13.126 1.599 45 H ASN 10 H ASN 10 19.381 17.674 -2.134 46 HA ASN 10 HA ASN 10 17.417 18.876 -3.425 47 HB2 ASN 10 1HB ASN 10 19.832 17.353 -4.477 48 HB3 ASN 10 2HB ASN 10 18.749 18.140 -5.608 49 HD21 ASN 10 1HD2 ASN 10 21.159 18.521 -3.176 50 HD22 ASN 10 2HD2 ASN 10 21.389 20.234 -3.291 51 H GLN 11 H GLN 11 16.172 18.248 -5.484 52 HA GLN 11 HA GLN 11 14.541 17.032 -6.297 53 HB2 GLN 11 1HB GLN 11 16.898 15.120 -6.495 54 HB3 GLN 11 2HB GLN 11 15.355 14.770 -7.248 55 HG2 GLN 11 1HG GLN 11 16.485 15.851 -8.996 56 HG3 GLN 11 2HG GLN 11 15.583 17.180 -8.296 57 HE21 GLN 11 1HE2 GLN 11 16.891 18.837 -8.737 58 HE22 GLN 11 2HE2 GLN 11 18.508 19.036 -8.148 59 H ALA 12 H ALA 12 13.206 16.906 -4.376 60 HA ALA 12 HA ALA 12 13.538 14.919 -2.430 61 HB1 ALA 12 1HB ALA 12 10.877 15.532 -2.339 62 HB2 ALA 12 2HB ALA 12 12.158 16.544 -1.629 63 HB3 ALA 12 3HB ALA 12 11.508 16.931 -3.241 64 HA PRO 13 HA PRO 13 11.810 11.443 -4.334 65 HB2 PRO 13 1HB PRO 13 10.744 10.076 -2.221 66 HB3 PRO 13 2HB PRO 13 12.454 10.065 -2.605 67 HG2 PRO 13 1HG PRO 13 11.049 11.501 -0.436 68 HG3 PRO 13 2HG PRO 13 12.756 11.134 -0.583 69 HD2 PRO 13 1HD PRO 13 11.500 13.669 -1.053 70 HD3 PRO 13 2HD PRO 13 13.187 13.271 -1.312 71 H LYS 14 H LYS 14 10.191 11.222 -5.734 72 HA LYS 14 HA LYS 14 7.619 12.225 -4.741 73 HB2 LYS 14 1HB LYS 14 8.359 13.544 -6.576 74 HB3 LYS 14 2HB LYS 14 8.837 12.138 -7.506 75 HG2 LYS 14 1HG LYS 14 6.668 11.647 -8.154 76 HG3 LYS 14 2HG LYS 14 5.973 12.189 -6.640 77 HD2 LYS 14 1HD LYS 14 5.303 13.727 -8.428 78 HD3 LYS 14 2HD LYS 14 6.362 14.569 -7.313 79 HE2 LYS 14 1HE LYS 14 8.306 14.108 -8.855 80 HE3 LYS 14 2HE LYS 14 7.205 13.342 -9.983 81 HZ1 LYS 14 1HZ LYS 14 7.520 16.132 -9.364 82 HZ2 LYS 14 2HZ LYS 14 7.111 15.416 -10.774 83 HZ3 LYS 14 3HZ LYS 14 5.983 15.639 -9.615 84 H LEU 15 H LEU 15 5.715 10.983 -5.069 85 HA LEU 15 HA LEU 15 6.101 8.309 -6.148 86 HB2 LEU 15 1HB LEU 15 6.563 7.740 -3.972 87 HB3 LEU 15 2HB LEU 15 5.507 8.966 -3.298 88 HG LEU 15 HG LEU 15 3.533 7.652 -3.942 89 HD11 LEU 15 1HD1 LEU 15 5.033 6.500 -5.849 90 HD12 LEU 15 2HD1 LEU 15 5.125 5.234 -4.601 91 HD13 LEU 15 3HD1 LEU 15 3.540 5.775 -5.205 92 HD21 LEU 15 1HD2 LEU 15 5.473 5.907 -2.411 93 HD22 LEU 15 2HD2 LEU 15 4.698 7.359 -1.732 94 HD23 LEU 15 3HD2 LEU 15 3.701 5.981 -2.257 95 H HIS 16 H HIS 16 4.333 7.609 -7.291 96 HA HIS 16 HA HIS 16 2.070 9.453 -7.272 97 HB2 HIS 16 1HB HIS 16 3.336 9.067 -9.398 98 HB3 HIS 16 2HB HIS 16 2.840 7.387 -9.351 99 HD1 HIS 16 1HD HIS 16 0.939 6.978 -10.902 100 HD2 HIS 16 2HD HIS 16 0.719 10.773 -9.129 101 HE1 HIS 16 1HE HIS 16 -1.174 8.075 -11.821 102 H TYR 17 H TYR 17 -0.082 8.689 -7.034 103 HA TYR 17 HA TYR 17 -0.543 5.881 -6.661 104 HB2 TYR 17 1HB TYR 17 -1.431 6.443 -4.265 105 HB3 TYR 17 2HB TYR 17 0.313 6.403 -4.434 106 HD1 TYR 17 1HD TYR 17 1.635 8.479 -4.385 107 HD2 TYR 17 2HD TYR 17 -2.613 8.541 -3.877 108 HE1 TYR 17 1HE TYR 17 1.770 10.850 -3.476 109 HE2 TYR 17 2HE TYR 17 -2.463 10.912 -2.971 110 HH TYR 17 HH TYR 17 -0.540 12.888 -3.410 111 H CYS 18 H CYS 18 -2.668 5.377 -7.106 112 HA CYS 18 HA CYS 18 -4.430 7.691 -7.451 113 HB2 CYS 18 1HB CYS 18 -4.144 6.770 -9.588 114 HB3 CYS 18 2HB CYS 18 -4.160 5.119 -9.000 115 HG CYS 18 HG CYS 18 -6.338 5.780 -10.442 116 H LEU 19 H LEU 19 -5.607 7.802 -5.539 117 HA LEU 19 HA LEU 19 -6.297 5.411 -4.125 118 HB2 LEU 19 1HB LEU 19 -7.240 8.238 -3.652 119 HB3 LEU 19 2HB LEU 19 -7.296 6.897 -2.525 120 HG LEU 19 HG LEU 19 -5.453 7.908 -1.702 121 HD11 LEU 19 1HD1 LEU 19 -3.893 6.707 -3.972 122 HD12 LEU 19 2HD1 LEU 19 -3.526 6.741 -2.231 123 HD13 LEU 19 3HD1 LEU 19 -4.803 5.667 -2.850 124 HD21 LEU 19 1HD2 LEU 19 -4.088 9.496 -2.772 125 HD22 LEU 19 2HD2 LEU 19 -4.512 8.899 -4.394 126 HD23 LEU 19 3HD2 LEU 19 -5.722 9.771 -3.423 127 H ASP 20 H ASP 20 -8.255 4.336 -4.062 128 HA ASP 20 HA ASP 20 -10.510 5.542 -5.332 129 HB2 ASP 20 1HB ASP 20 -9.565 4.584 -7.319 130 HB3 ASP 20 2HB ASP 20 -9.063 3.130 -6.480 131 H TYR 21 H TYR 21 -12.045 5.094 -3.741 132 HA TYR 21 HA TYR 21 -11.804 2.552 -2.303 133 HB2 TYR 21 1HB TYR 21 -11.874 4.903 -1.193 134 HB3 TYR 21 2HB TYR 21 -13.496 5.084 -1.832 135 HD1 TYR 21 2HD TYR 21 -11.426 2.962 0.436 136 HD2 TYR 21 1HD TYR 21 -15.360 4.247 -0.649 137 HE1 TYR 21 2HE TYR 21 -12.375 1.828 2.504 138 HE2 TYR 21 1HE TYR 21 -16.296 3.109 1.423 139 HH TYR 21 HH TYR 21 -15.473 1.066 2.879 140 H ASP 22 H ASP 22 -12.999 0.922 -3.165 141 HA ASP 22 HA ASP 22 -15.361 1.607 -4.637 142 HB2 ASP 22 1HB ASP 22 -13.545 -0.705 -4.368 143 HB3 ASP 22 2HB ASP 22 -15.227 -1.195 -4.401 144 H CYS 23 H CYS 23 -16.757 2.362 -2.870 145 HA CYS 23 HA CYS 23 -17.144 1.289 -0.452 146 HB2 CYS 23 1HB CYS 23 -19.243 2.351 -0.384 147 HB3 CYS 23 2HB CYS 23 -18.300 3.302 -1.514 148 HG CYS 23 HG CYS 23 -19.591 2.976 -3.488 149 H GLN 24 H GLN 24 -18.157 0.005 -3.627 150 HA GLN 24 HA GLN 24 -20.028 -1.809 -2.816 151 HB2 GLN 24 1HB GLN 24 -17.996 -2.387 -5.001 152 HB3 GLN 24 2HB GLN 24 -19.673 -2.893 -4.929 153 HG2 GLN 24 1HG GLN 24 -19.784 -0.073 -4.726 154 HG3 GLN 24 2HG GLN 24 -18.536 -0.372 -5.919 155 HE21 GLN 24 1HE2 GLN 24 -19.058 -0.977 -7.912 156 HE22 GLN 24 2HE2 GLN 24 -20.651 -1.345 -8.483 157 H LYS 25 H LYS 25 -16.431 -2.186 -3.057 158 HA LYS 25 HA LYS 25 -16.654 -4.796 -1.799 159 HB2 LYS 25 1HB LYS 25 -14.090 -3.463 -2.654 160 HB3 LYS 25 2HB LYS 25 -14.442 -5.171 -2.491 161 HG2 LYS 25 1HG LYS 25 -16.326 -4.546 -4.346 162 HG3 LYS 25 2HG LYS 25 -15.169 -3.283 -4.714 163 HD2 LYS 25 1HD LYS 25 -13.589 -4.762 -5.519 164 HD3 LYS 25 2HD LYS 25 -13.980 -5.995 -4.336 165 HE2 LYS 25 1HE LYS 25 -15.563 -6.987 -5.687 166 HE3 LYS 25 2HE LYS 25 -16.154 -5.456 -6.301 167 HZ1 LYS 25 1HZ LYS 25 -14.946 -6.853 -7.923 168 HZ2 LYS 25 2HZ LYS 25 -14.352 -5.338 -7.786 169 HZ3 LYS 25 3HZ LYS 25 -13.566 -6.589 -7.092 170 H ALA 26 H ALA 26 -15.957 -1.430 -1.075 171 HA ALA 26 HA ALA 26 -15.571 -0.397 0.845 172 HB1 ALA 26 1HB ALA 26 -16.753 -1.252 2.557 173 HB2 ALA 26 2HB ALA 26 -16.987 -2.722 1.580 174 HB3 ALA 26 3HB ALA 26 -15.626 -2.619 2.722 175 H GLU 27 H GLU 27 -13.423 -1.355 -0.789 176 HA GLU 27 HA GLU 27 -11.434 -1.663 1.309 177 HB2 GLU 27 1HB GLU 27 -11.282 -3.111 -1.367 178 HB3 GLU 27 2HB GLU 27 -10.175 -3.274 -0.019 179 HG2 GLU 27 1HG GLU 27 -11.483 -4.871 0.916 180 HG3 GLU 27 2HG GLU 27 -12.848 -3.772 0.961 181 H LEU 28 H LEU 28 -9.771 -0.191 1.152 182 HA LEU 28 HA LEU 28 -9.927 1.755 -0.923 183 HB2 LEU 28 1HB LEU 28 -9.362 2.158 1.493 184 HB3 LEU 28 2HB LEU 28 -7.806 1.409 1.196 185 HG LEU 28 HG LEU 28 -7.787 3.903 1.175 186 HD11 LEU 28 1HD1 LEU 28 -6.885 3.568 -1.518 187 HD12 LEU 28 2HD1 LEU 28 -5.934 3.661 -0.015 188 HD13 LEU 28 3HD1 LEU 28 -6.522 2.086 -0.600 189 HD21 LEU 28 1HD2 LEU 28 -9.967 4.287 0.141 190 HD22 LEU 28 2HD2 LEU 28 -8.671 5.105 -0.764 191 HD23 LEU 28 3HD2 LEU 28 -9.376 3.594 -1.387 192 H PHE 29 H PHE 29 -8.462 2.162 -2.618 193 HA PHE 29 HA PHE 29 -6.566 -0.027 -3.101 194 HB2 PHE 29 1HB PHE 29 -8.459 1.537 -4.951 195 HB3 PHE 29 2HB PHE 29 -7.171 0.529 -5.580 196 HD1 PHE 29 2HD PHE 29 -10.228 0.411 -3.472 197 HD2 PHE 29 1HD PHE 29 -7.513 -1.762 -5.905 198 HE1 PHE 29 2HE PHE 29 -11.748 -1.585 -3.385 199 HE2 PHE 29 1HE PHE 29 -9.033 -3.758 -5.818 200 HZ PHE 29 HZ PHE 29 -11.132 -3.646 -4.559 201 H VAL 30 H VAL 30 -4.551 0.539 -4.021 202 HA VAL 30 HA VAL 30 -4.124 3.418 -4.389 203 HB VAL 30 HB VAL 30 -2.204 1.547 -2.999 204 HG11 VAL 30 1HG1 VAL 30 -1.824 4.052 -4.177 205 HG12 VAL 30 2HG1 VAL 30 -1.971 4.395 -2.437 206 HG13 VAL 30 3HG1 VAL 30 -0.745 3.241 -3.016 207 HG21 VAL 30 1HG2 VAL 30 -2.897 2.418 -0.887 208 HG22 VAL 30 2HG2 VAL 30 -3.966 3.616 -1.656 209 HG23 VAL 30 3HG2 VAL 30 -4.369 1.884 -1.734 210 H THR 31 H THR 31 -4.556 2.683 -6.677 211 HA THR 31 HA THR 31 -2.391 1.090 -7.812 212 HB THR 31 HB THR 31 -3.900 1.290 -9.868 213 HG1 THR 31 1HG THR 31 -4.938 3.285 -9.255 214 HG21 THR 31 1HG2 THR 31 -4.365 -0.677 -8.544 215 HG22 THR 31 2HG2 THR 31 -5.062 0.293 -7.225 216 HG23 THR 31 3HG2 THR 31 -5.940 0.123 -8.764 217 H ARG 32 H ARG 32 -1.927 2.050 -10.256 218 HA ARG 32 HA ARG 32 -0.746 3.486 -11.353 219 HB2 ARG 32 1HB ARG 32 -2.184 5.611 -9.683 220 HB3 ARG 32 2HB ARG 32 -1.295 5.933 -11.159 221 HG2 ARG 32 1HG ARG 32 -3.512 3.866 -11.180 222 HG3 ARG 32 2HG ARG 32 -3.924 5.568 -11.240 223 HD2 ARG 32 1HD ARG 32 -2.306 5.794 -13.219 224 HD3 ARG 32 2HD ARG 32 -2.159 4.048 -13.215 225 HE ARG 32 HE ARG 32 -4.946 4.863 -13.248 226 HH11 ARG 32 2HH2 ARG 32 -2.110 4.466 -15.293 227 HH12 ARG 32 1HH2 ARG 32 -3.029 4.239 -16.743 228 HH21 ARG 32 2HH1 ARG 32 -6.159 4.563 -15.161 229 HH22 ARG 32 1HH1 ARG 32 -5.348 4.295 -16.668 230 H LEU 33 H LEU 33 0.717 2.324 -9.378 231 HA LEU 33 HA LEU 33 1.941 4.360 -7.735 232 HB2 LEU 33 1HB LEU 33 2.179 1.378 -7.989 233 HB3 LEU 33 2HB LEU 33 3.390 2.298 -7.117 234 HG LEU 33 HG LEU 33 0.441 2.461 -6.462 235 HD11 LEU 33 1HD1 LEU 33 1.474 0.106 -6.318 236 HD12 LEU 33 2HD1 LEU 33 2.395 0.748 -4.937 237 HD13 LEU 33 3HD1 LEU 33 0.615 0.743 -4.895 238 HD21 LEU 33 1HD2 LEU 33 2.958 3.278 -4.994 239 HD22 LEU 33 2HD2 LEU 33 1.646 4.323 -5.591 240 HD23 LEU 33 3HD2 LEU 33 1.348 3.204 -4.239 241 H GLU 34 H GLU 34 3.700 5.534 -8.287 242 HA GLU 34 HA GLU 34 5.570 4.382 -10.135 243 HB2 GLU 34 1HB GLU 34 4.361 7.103 -10.769 244 HB3 GLU 34 2HB GLU 34 5.489 6.189 -11.749 245 HG2 GLU 34 1HG GLU 34 3.751 4.369 -11.988 246 HG3 GLU 34 2HG GLU 34 2.623 5.362 -11.087 247 H ALA 35 H ALA 35 7.197 4.458 -8.568 248 HA ALA 35 HA ALA 35 7.543 6.742 -6.909 249 HB1 ALA 35 1HB ALA 35 8.194 4.627 -6.032 250 HB2 ALA 35 2HB ALA 35 9.143 4.229 -7.484 251 HB3 ALA 35 3HB ALA 35 9.717 5.487 -6.363 252 H VAL 36 H VAL 36 9.287 8.282 -6.962 253 HA VAL 36 HA VAL 36 10.827 8.348 -9.433 254 HB VAL 36 HB VAL 36 8.872 10.434 -8.494 255 HG11 VAL 36 1HG1 VAL 36 10.105 11.654 -10.591 256 HG12 VAL 36 2HG1 VAL 36 10.489 11.967 -8.882 257 HG13 VAL 36 3HG1 VAL 36 11.487 10.834 -9.825 258 HG21 VAL 36 1HG2 VAL 36 8.219 10.402 -10.900 259 HG22 VAL 36 2HG2 VAL 36 9.390 9.088 -11.166 260 HG23 VAL 36 3HG2 VAL 36 7.997 8.835 -10.086 261 H THR 37 H THR 37 12.503 7.643 -7.897 262 HA THR 37 HA THR 37 13.314 9.794 -6.059 263 HB THR 37 HB THR 37 14.264 8.069 -4.713 264 HG1 THR 37 1HG THR 37 14.016 6.598 -7.238 265 HG21 THR 37 1HG2 THR 37 12.188 6.296 -6.005 266 HG22 THR 37 2HG2 THR 37 12.510 6.576 -4.277 267 HG23 THR 37 3HG2 THR 37 11.627 7.795 -5.227 268 H SER 38 H SER 38 15.329 10.730 -6.169 269 HA SER 38 HA SER 38 16.781 10.018 -8.593 270 HB2 SER 38 1HB SER 38 17.664 12.333 -8.548 271 HB3 SER 38 2HB SER 38 15.912 12.319 -8.596 272 HG SER 38 HG SER 38 15.796 12.930 -6.445 273 H ASN 39 H ASN 39 17.100 11.000 -5.123 274 HA ASN 39 HA ASN 39 19.702 11.066 -4.748 275 HB2 ASN 39 1HB ASN 39 19.293 10.002 -2.480 276 HB3 ASN 39 2HB ASN 39 18.132 11.253 -2.876 277 HD21 ASN 39 1HD2 ASN 39 18.203 8.636 -1.256 278 HD22 ASN 39 2HD2 ASN 39 16.732 7.823 -1.675 279 H HIS 40 H HIS 40 21.329 9.721 -5.540 280 HA HIS 40 HA HIS 40 20.913 7.200 -6.538 281 HB2 HIS 40 1HB HIS 40 23.046 9.005 -6.269 282 HB3 HIS 40 2HB HIS 40 23.606 7.534 -5.496 283 HD1 HIS 40 1HD HIS 40 24.700 8.667 -8.261 284 HD2 HIS 40 2HD HIS 40 21.889 5.587 -7.806 285 HE1 HIS 40 1HE HIS 40 24.807 7.281 -10.400 286 H ASP 41 H ASP 41 21.717 5.071 -5.736 287 HA ASP 41 HA ASP 41 22.142 4.850 -2.936 288 HB2 ASP 41 1HB ASP 41 19.541 3.962 -4.229 289 HB3 ASP 41 2HB ASP 41 20.162 3.108 -2.830 290 H GLY 42 H GLY 42 22.406 2.375 -2.388 291 HA2 GLY 42 1HA GLY 42 24.207 1.161 -4.061 292 HA3 GLY 42 2HA GLY 42 23.246 0.340 -2.847 293 H GLY 43 H GLY 43 21.165 -0.614 -3.440 294 HA2 GLY 43 1HA GLY 43 20.189 -0.545 -6.104 295 HA3 GLY 43 2HA GLY 43 21.166 -1.978 -5.853 296 H CYS 44 H CYS 44 20.144 -3.765 -5.058 297 HA CYS 44 HA CYS 44 18.669 -5.041 -4.053 298 HB2 CYS 44 1HB CYS 44 18.422 -2.588 -2.341 299 HB3 CYS 44 2HB CYS 44 17.250 -3.876 -2.141 300 HG CYS 44 HG CYS 44 18.708 -5.686 -1.354 301 H ASP 45 H ASP 45 16.045 -4.996 -3.454 302 HA ASP 45 HA ASP 45 14.891 -3.808 -5.839 303 HB2 ASP 45 1HB ASP 45 14.330 -6.240 -4.171 304 HB3 ASP 45 2HB ASP 45 12.932 -5.452 -4.875 305 H CYS 46 H CYS 46 13.419 -2.108 -5.569 306 HA CYS 46 HA CYS 46 12.607 -1.538 -2.823 307 HB2 CYS 46 1HB CYS 46 12.251 0.749 -3.539 308 HB3 CYS 46 2HB CYS 46 13.865 0.238 -3.992 309 HG CYS 46 HG CYS 46 13.701 0.469 -6.354 310 H TYR 47 H TYR 47 10.324 -0.939 -2.444 311 HA TYR 47 HA TYR 47 8.457 -1.434 -4.591 312 HB2 TYR 47 1HB TYR 47 7.343 -3.239 -3.193 313 HB3 TYR 47 2HB TYR 47 8.965 -3.707 -3.662 314 HD1 TYR 47 1HD TYR 47 10.811 -3.686 -1.995 315 HD2 TYR 47 2HD TYR 47 6.767 -2.845 -0.879 316 HE1 TYR 47 1HE TYR 47 11.397 -4.073 0.449 317 HE2 TYR 47 2HE TYR 47 7.367 -3.235 1.561 318 HH TYR 47 HH TYR 47 9.036 -3.449 2.989 319 H VAL 48 H VAL 48 6.249 -0.797 -4.017 320 HA VAL 48 HA VAL 48 6.306 1.243 -1.946 321 HB VAL 48 HB VAL 48 4.278 0.590 -4.093 322 HG11 VAL 48 1HG1 VAL 48 4.199 3.303 -3.087 323 HG12 VAL 48 2HG1 VAL 48 2.900 2.090 -3.180 324 HG13 VAL 48 3HG1 VAL 48 3.974 2.138 -1.761 325 HG21 VAL 48 1HG2 VAL 48 6.782 1.607 -4.490 326 HG22 VAL 48 2HG2 VAL 48 5.375 1.943 -5.528 327 HG23 VAL 48 3HG2 VAL 48 5.836 3.096 -4.253 328 H GLN 49 H GLN 49 4.988 1.232 -0.116 329 HA GLN 49 HA GLN 49 3.362 -1.166 0.190 330 HB2 GLN 49 1HB GLN 49 5.418 -1.525 1.463 331 HB3 GLN 49 2HB GLN 49 5.277 0.046 2.228 332 HG2 GLN 49 1HG GLN 49 2.985 -0.775 3.135 333 HG3 GLN 49 2HG GLN 49 3.473 -2.377 2.619 334 HE21 GLN 49 1HE2 GLN 49 2.969 -1.263 5.286 335 HE22 GLN 49 2HE2 GLN 49 4.394 -1.541 6.232 336 H GLY 50 H GLY 50 1.340 -0.854 1.167 337 HA2 GLY 50 1HA GLY 50 0.757 1.912 2.045 338 HA3 GLY 50 2HA GLY 50 -0.323 0.986 1.020 339 H SER 51 H SER 51 0.020 2.016 4.116 340 HA SER 51 HA SER 51 -1.192 -0.424 5.161 341 HB2 SER 51 1HB SER 51 1.085 0.186 6.126 342 HB3 SER 51 2HB SER 51 0.366 1.651 6.762 343 HG SER 51 HG SER 51 0.396 -0.067 8.346 344 H VAL 52 H VAL 52 -3.106 -0.173 6.430 345 HA VAL 52 HA VAL 52 -4.130 2.577 6.561 346 HB VAL 52 HB VAL 52 -5.213 0.187 5.251 347 HG11 VAL 52 1HG1 VAL 52 -7.004 1.835 7.067 348 HG12 VAL 52 2HG1 VAL 52 -7.573 0.690 5.828 349 HG13 VAL 52 3HG1 VAL 52 -6.635 0.101 7.221 350 HG21 VAL 52 1HG2 VAL 52 -5.836 1.686 3.685 351 HG22 VAL 52 2HG2 VAL 52 -6.499 2.821 4.886 352 HG23 VAL 52 3HG2 VAL 52 -4.749 2.790 4.561 353 H ALA 53 H ALA 53 -5.095 3.169 8.495 354 HA ALA 53 HA ALA 53 -5.269 1.036 10.512 355 HB1 ALA 53 1HB ALA 53 -4.618 2.937 12.129 356 HB2 ALA 53 2HB ALA 53 -3.330 2.271 11.098 357 HB3 ALA 53 3HB ALA 53 -4.090 3.825 10.680 358 H ASN 54 H ASN 54 -7.487 0.702 10.440 359 HA ASN 54 HA ASN 54 -9.150 3.065 10.498 360 HB2 ASN 54 1HB ASN 54 -10.352 0.310 10.595 361 HB3 ASN 54 2HB ASN 54 -10.866 1.707 9.670 362 HD21 ASN 54 1HD2 ASN 54 -9.240 -1.236 9.640 363 HD22 ASN 54 2HD2 ASN 54 -8.520 -1.171 8.066 364 H ARG 55 H ARG 55 -11.323 2.446 11.987 365 HA ARG 55 HA ARG 55 -10.244 2.292 14.607 366 HB2 ARG 55 1HB ARG 55 -12.576 3.384 13.372 367 HB3 ARG 55 2HB ARG 55 -13.166 2.190 14.510 368 HG2 ARG 55 1HG ARG 55 -11.741 3.243 16.308 369 HG3 ARG 55 2HG ARG 55 -11.238 4.469 15.161 370 HD2 ARG 55 1HD ARG 55 -14.036 4.512 14.939 371 HD3 ARG 55 2HD ARG 55 -13.781 4.229 16.649 372 HE ARG 55 HE ARG 55 -12.014 6.316 15.728 373 HH11 ARG 55 2HH2 ARG 55 -15.388 5.706 16.520 374 HH12 ARG 55 1HH2 ARG 55 -15.721 7.355 16.933 375 HH21 ARG 55 2HH1 ARG 55 -12.453 8.491 16.272 376 HH22 ARG 55 1HH1 ARG 55 -14.041 8.950 16.791 377 H THR 56 H THR 56 -10.730 -0.079 12.436 378 HA THR 56 HA THR 56 -11.924 -1.935 14.389 379 HB THR 56 HB THR 56 -12.338 -3.275 12.176 380 HG1 THR 56 1HG THR 56 -12.100 -0.547 11.167 381 HG21 THR 56 1HG2 THR 56 -14.085 -1.260 11.469 382 HG22 THR 56 2HG2 THR 56 -14.409 -2.430 12.770 383 HG23 THR 56 3HG2 THR 56 -13.743 -0.826 13.161 384 H GLY 57 H GLY 57 -9.051 -0.961 12.741 385 HA2 GLY 57 1HA GLY 57 -7.306 -2.518 14.082 386 HA3 GLY 57 2HA GLY 57 -7.813 -3.574 12.779 387 H SER 58 H SER 58 -6.127 -3.596 11.330 388 HA SER 58 HA SER 58 -5.627 -1.194 9.919 389 HB2 SER 58 1HB SER 58 -3.033 -1.516 10.333 390 HB3 SER 58 2HB SER 58 -3.993 -0.567 11.450 391 HG SER 58 HG SER 58 -3.187 -3.331 11.761 392 H VAL 59 H VAL 59 -4.753 -1.654 7.832 393 HA VAL 59 HA VAL 59 -4.097 -4.479 7.373 394 HB VAL 59 HB VAL 59 -5.199 -3.862 5.042 395 HG11 VAL 59 1HG1 VAL 59 -7.414 -4.460 6.780 396 HG12 VAL 59 2HG1 VAL 59 -6.527 -5.537 5.674 397 HG13 VAL 59 3HG1 VAL 59 -5.964 -5.321 7.349 398 HG21 VAL 59 1HG2 VAL 59 -7.305 -2.534 5.473 399 HG22 VAL 59 2HG2 VAL 59 -6.579 -2.019 7.014 400 HG23 VAL 59 3HG2 VAL 59 -5.796 -1.589 5.475 401 H GLU 60 H GLU 60 -2.659 -4.840 5.508 402 HA GLU 60 HA GLU 60 -1.303 -2.430 4.641 403 HB2 GLU 60 1HB GLU 60 -0.090 -4.719 6.180 404 HB3 GLU 60 2HB GLU 60 0.882 -3.954 4.938 405 HG2 GLU 60 1HG GLU 60 0.667 -1.769 6.001 406 HG3 GLU 60 2HG GLU 60 -0.541 -2.367 7.121 407 H ALA 61 H ALA 61 0.333 -3.027 2.789 408 HA ALA 61 HA ALA 61 -0.005 -5.452 1.417 409 HB1 ALA 61 1HB ALA 61 -1.887 -3.209 0.774 410 HB2 ALA 61 2HB ALA 61 -1.199 -4.130 -0.584 411 HB3 ALA 61 3HB ALA 61 -2.134 -4.969 0.676 412 H GLN 62 H GLN 62 1.397 -5.550 -0.435 413 HA GLN 62 HA GLN 62 2.871 -3.101 -0.934 414 HB2 GLN 62 1HB GLN 62 4.187 -5.798 -0.385 415 HB3 GLN 62 2HB GLN 62 5.026 -4.326 -0.832 416 HG2 GLN 62 1HG GLN 62 4.850 -3.425 1.275 417 HG3 GLN 62 2HG GLN 62 3.211 -4.001 1.498 418 HE21 GLN 62 1HE2 GLN 62 2.931 -6.353 1.827 419 HE22 GLN 62 2HE2 GLN 62 4.089 -7.205 2.794 420 H THR 63 H THR 63 4.301 -3.351 -2.976 421 HA THR 63 HA THR 63 2.760 -4.915 -4.923 422 HB THR 63 HB THR 63 3.755 -3.283 -6.540 423 HG1 THR 63 1HG THR 63 5.753 -2.962 -5.335 424 HG21 THR 63 1HG2 THR 63 2.906 -1.108 -5.460 425 HG22 THR 63 2HG2 THR 63 1.710 -2.425 -5.532 426 HG23 THR 63 3HG2 THR 63 2.552 -2.068 -4.004 427 H ALA 64 H ALA 64 4.264 -5.516 -6.933 428 HA ALA 64 HA ALA 64 6.035 -7.476 -5.874 429 HB1 ALA 64 1HB ALA 64 6.419 -7.879 -8.373 430 HB2 ALA 64 2HB ALA 64 4.742 -8.045 -7.800 431 HB3 ALA 64 3HB ALA 64 5.246 -6.572 -8.664 432 H LEU 65 H LEU 65 8.250 -7.440 -5.690 433 HA LEU 65 HA LEU 65 9.585 -5.051 -5.543 434 HB2 LEU 65 1HB LEU 65 10.462 -7.902 -5.857 435 HB3 LEU 65 2HB LEU 65 11.645 -6.609 -5.843 436 HG LEU 65 HG LEU 65 11.519 -7.487 -3.639 437 HD11 LEU 65 1HD1 LEU 65 9.893 -5.213 -2.884 438 HD12 LEU 65 2HD1 LEU 65 11.644 -5.477 -2.703 439 HD13 LEU 65 3HD1 LEU 65 10.998 -4.799 -4.217 440 HD21 LEU 65 1HD2 LEU 65 8.602 -6.889 -3.316 441 HD22 LEU 65 2HD2 LEU 65 9.101 -8.395 -4.122 442 HD23 LEU 65 3HD2 LEU 65 9.635 -8.057 -2.458 443 H LYS 66 H LYS 66 11.083 -3.939 -6.900 444 HA LYS 66 HA LYS 66 11.225 -4.821 -9.661 445 HB2 LYS 66 1HB LYS 66 9.764 -2.365 -8.739 446 HB3 LYS 66 2HB LYS 66 10.632 -2.323 -10.260 447 HG2 LYS 66 1HG LYS 66 9.186 -4.808 -10.183 448 HG3 LYS 66 2HG LYS 66 8.075 -3.551 -9.676 449 HD2 LYS 66 1HD LYS 66 9.401 -2.369 -11.841 450 HD3 LYS 66 2HD LYS 66 9.266 -4.044 -12.339 451 HE2 LYS 66 1HE LYS 66 6.758 -3.839 -11.552 452 HE3 LYS 66 2HE LYS 66 7.035 -2.110 -11.625 453 HZ1 LYS 66 1HZ LYS 66 7.863 -2.526 -13.930 454 HZ2 LYS 66 2HZ LYS 66 7.257 -4.039 -13.818 455 HZ3 LYS 66 3HZ LYS 66 6.260 -2.750 -13.710 456 H LYS 67 H LYS 67 12.836 -3.426 -10.902 457 HA LYS 67 HA LYS 67 15.141 -3.131 -9.254 458 HB2 LYS 67 1HB LYS 67 15.549 -4.038 -11.373 459 HB3 LYS 67 2HB LYS 67 14.547 -2.856 -12.192 460 HG2 LYS 67 1HG LYS 67 16.359 -1.538 -12.521 461 HG3 LYS 67 2HG LYS 67 16.565 -1.380 -10.788 462 HD2 LYS 67 1HD LYS 67 17.594 -3.800 -12.330 463 HD3 LYS 67 2HD LYS 67 18.560 -2.355 -12.109 464 HE2 LYS 67 1HE LYS 67 18.522 -2.596 -9.685 465 HE3 LYS 67 2HE LYS 67 17.308 -3.858 -9.767 466 HZ1 LYS 67 1HZ LYS 67 18.825 -5.360 -10.507 467 HZ2 LYS 67 2HZ LYS 67 19.816 -4.251 -11.181 468 HZ3 LYS 67 3HZ LYS 67 19.793 -4.447 -9.560 469 H ARG 68 H ARG 68 16.003 -1.313 -8.351 470 HA ARG 68 HA ARG 68 14.384 0.935 -8.187 471 HB2 ARG 68 1HB ARG 68 16.042 0.233 -6.441 472 HB3 ARG 68 2HB ARG 68 17.358 0.625 -7.529 473 HG2 ARG 68 1HG ARG 68 15.869 2.976 -7.563 474 HG3 ARG 68 2HG ARG 68 15.644 2.432 -5.912 475 HD2 ARG 68 1HD ARG 68 17.662 3.430 -5.505 476 HD3 ARG 68 2HD ARG 68 18.359 2.002 -6.243 477 HE ARG 68 HE ARG 68 18.808 3.233 -8.214 478 HH11 ARG 68 2HH2 ARG 68 16.838 5.127 -5.996 479 HH12 ARG 68 1HH2 ARG 68 17.055 6.608 -6.867 480 HH21 ARG 68 2HH1 ARG 68 19.095 5.188 -9.362 481 HH22 ARG 68 1HH1 ARG 68 18.347 6.643 -8.794 482 H GLN 69 H GLN 69 14.030 2.352 -9.875 483 HA GLN 69 HA GLN 69 16.390 3.123 -11.400 484 HB2 GLN 69 1HB GLN 69 13.591 2.811 -12.565 485 HB3 GLN 69 2HB GLN 69 15.051 3.210 -13.447 486 HG2 GLN 69 1HG GLN 69 15.303 0.726 -11.851 487 HG3 GLN 69 2HG GLN 69 14.040 0.637 -13.062 488 HE21 GLN 69 1HE2 GLN 69 14.686 1.631 -15.239 489 HE22 GLN 69 2HE2 GLN 69 16.229 1.170 -15.876 490 H LEU 70 H LEU 70 15.491 5.216 -12.881 491 HA LEU 70 HA LEU 70 15.017 7.186 -10.876 492 HB2 LEU 70 1HB LEU 70 15.584 7.146 -13.803 493 HB3 LEU 70 2HB LEU 70 14.878 8.595 -13.115 494 HG LEU 70 HG LEU 70 17.257 8.862 -13.205 495 HD11 LEU 70 1HD1 LEU 70 16.809 8.284 -10.292 496 HD12 LEU 70 2HD1 LEU 70 17.648 9.648 -11.067 497 HD13 LEU 70 3HD1 LEU 70 15.871 9.555 -11.112 498 HD21 LEU 70 1HD2 LEU 70 18.244 6.951 -11.336 499 HD22 LEU 70 2HD2 LEU 70 17.313 6.082 -12.580 500 HD23 LEU 70 3HD2 LEU 70 18.655 7.150 -13.056 501 H HIS 71 H HIS 71 13.014 5.044 -12.600 502 HA HIS 71 HA HIS 71 10.700 6.327 -11.618 503 HB2 HIS 71 1HB HIS 71 11.199 7.723 -13.644 504 HB3 HIS 71 2HB HIS 71 10.990 6.293 -14.634 505 HD1 HIS 71 1HD HIS 71 8.985 7.641 -15.790 506 HD2 HIS 71 2HD HIS 71 8.389 6.583 -11.775 507 HE1 HIS 71 1HE HIS 71 6.489 7.917 -15.341 508 H THR 72 H THR 72 10.227 4.357 -10.636 509 HA THR 72 HA THR 72 9.984 2.047 -12.438 510 HB THR 72 HB THR 72 10.431 2.388 -9.437 511 HG1 THR 72 1HG THR 72 12.304 2.373 -10.806 512 HG21 THR 72 1HG2 THR 72 10.436 -0.095 -9.308 513 HG22 THR 72 2HG2 THR 72 8.825 0.483 -9.797 514 HG23 THR 72 3HG2 THR 72 9.934 -0.193 -11.013 515 H THR 73 H THR 73 8.030 1.531 -13.172 516 HA THR 73 HA THR 73 5.736 2.358 -11.516 517 HB THR 73 HB THR 73 4.561 2.337 -13.821 518 HG1 THR 73 1HG THR 73 5.962 1.983 -15.553 519 HG21 THR 73 1HG2 THR 73 5.204 4.543 -14.325 520 HG22 THR 73 2HG2 THR 73 5.765 4.428 -12.639 521 HG23 THR 73 3HG2 THR 73 6.920 4.225 -13.978 522 H TRP 74 H TRP 74 4.234 0.876 -10.904 523 HA TRP 74 HA TRP 74 4.926 -1.889 -11.532 524 HB2 TRP 74 1HB TRP 74 3.201 -0.641 -9.391 525 HB3 TRP 74 2HB TRP 74 3.306 -2.368 -9.665 526 HD1 TRP 74 HD TRP 74 5.494 -3.605 -8.728 527 HE1 TRP 74 1HE TRP 74 7.554 -2.942 -7.219 528 HE3 TRP 74 3HE TRP 74 4.719 1.415 -8.964 529 HZ2 TRP 74 2HZ TRP 74 8.605 -0.448 -6.313 530 HZ3 TRP 74 3HZ TRP 74 6.308 2.894 -7.739 531 HH2 TRP 74 HH TRP 74 8.198 2.037 -6.447 532 H GLU 75 H GLU 75 2.836 -3.358 -11.718 533 HA GLU 75 HA GLU 75 1.154 -2.024 -13.677 534 HB2 GLU 75 1HB GLU 75 2.572 -4.382 -13.867 535 HB3 GLU 75 2HB GLU 75 0.991 -4.983 -13.408 536 HG2 GLU 75 1HG GLU 75 0.117 -4.527 -15.459 537 HG3 GLU 75 2HG GLU 75 0.741 -2.889 -15.441 538 H GLU 76 H GLU 76 1.207 -3.508 -10.502 539 HA GLU 76 HA GLU 76 -1.709 -3.462 -10.499 540 HB2 GLU 76 1HB GLU 76 -1.583 -5.071 -8.611 541 HB3 GLU 76 2HB GLU 76 -0.808 -5.700 -10.051 542 HG2 GLU 76 1HG GLU 76 1.422 -4.929 -9.147 543 HG3 GLU 76 2HG GLU 76 0.619 -4.397 -7.683 544 H GLY 77 H GLY 77 -2.563 -3.055 -8.091 545 HA2 GLY 77 1HA GLY 77 -1.021 -0.768 -7.015 546 HA3 GLY 77 2HA GLY 77 -2.770 -0.813 -7.126 547 H LEU 78 H LEU 78 -2.634 -0.366 -4.735 548 HA LEU 78 HA LEU 78 -2.292 -2.901 -3.292 549 HB2 LEU 78 1HB LEU 78 -1.698 -0.156 -2.188 550 HB3 LEU 78 2HB LEU 78 -1.454 -1.699 -1.393 551 HG LEU 78 HG LEU 78 0.000 -0.932 -3.931 552 HD11 LEU 78 1HD1 LEU 78 0.281 0.398 -1.518 553 HD12 LEU 78 2HD1 LEU 78 1.589 -0.809 -1.488 554 HD13 LEU 78 3HD1 LEU 78 1.469 0.340 -2.842 555 HD21 LEU 78 1HD2 LEU 78 -0.173 -3.332 -2.392 556 HD22 LEU 78 2HD2 LEU 78 0.780 -3.004 -3.859 557 HD23 LEU 78 3HD2 LEU 78 1.480 -2.684 -2.254 558 H VAL 79 H VAL 79 -4.213 -3.649 -2.597 559 HA VAL 79 HA VAL 79 -6.292 -1.643 -2.066 560 HB VAL 79 HB VAL 79 -7.425 -2.829 -3.557 561 HG11 VAL 79 1HG1 VAL 79 -5.506 -5.158 -3.214 562 HG12 VAL 79 2HG1 VAL 79 -6.701 -4.951 -4.516 563 HG13 VAL 79 3HG1 VAL 79 -5.322 -3.833 -4.388 564 HG21 VAL 79 1HG2 VAL 79 -8.478 -3.641 -1.496 565 HG22 VAL 79 2HG2 VAL 79 -8.523 -4.883 -2.770 566 HG23 VAL 79 3HG2 VAL 79 -7.342 -5.010 -1.444 567 H LEU 80 H LEU 80 -7.045 -1.443 -0.008 568 HA LEU 80 HA LEU 80 -6.391 -3.629 1.838 569 HB2 LEU 80 1HB LEU 80 -6.250 -0.696 2.526 570 HB3 LEU 80 2HB LEU 80 -5.807 -2.055 3.540 571 HG LEU 80 HG LEU 80 -4.341 -1.903 0.977 572 HD11 LEU 80 1HD1 LEU 80 -4.551 0.446 2.701 573 HD12 LEU 80 2HD1 LEU 80 -2.875 -0.116 2.494 574 HD13 LEU 80 3HD1 LEU 80 -3.865 0.273 1.067 575 HD21 LEU 80 1HD2 LEU 80 -2.455 -2.114 2.851 576 HD22 LEU 80 2HD2 LEU 80 -3.847 -2.665 3.813 577 HD23 LEU 80 3HD2 LEU 80 -3.422 -3.503 2.302 578 HA PRO 81 HA PRO 81 -10.612 -3.364 2.736 579 HB2 PRO 81 1HB PRO 81 -10.702 -4.878 5.009 580 HB3 PRO 81 2HB PRO 81 -10.673 -5.568 3.398 581 HG2 PRO 81 1HG PRO 81 -8.495 -5.424 5.391 582 HG3 PRO 81 2HG PRO 81 -8.626 -6.456 3.981 583 HD2 PRO 81 1HD PRO 81 -7.006 -4.103 4.241 584 HD3 PRO 81 2HD PRO 81 -7.227 -5.069 2.796 585 H LEU 82 H LEU 82 -11.795 -1.684 3.371 586 HA LEU 82 HA LEU 82 -11.420 -0.813 6.094 587 HB2 LEU 82 1HB LEU 82 -9.679 0.456 5.116 588 HB3 LEU 82 2HB LEU 82 -10.662 0.897 3.734 589 HG LEU 82 HG LEU 82 -10.195 2.624 5.635 590 HD11 LEU 82 1HD1 LEU 82 -11.559 3.165 3.747 591 HD12 LEU 82 2HD1 LEU 82 -12.914 2.195 4.374 592 HD13 LEU 82 3HD1 LEU 82 -12.422 3.684 5.215 593 HD21 LEU 82 1HD2 LEU 82 -12.738 1.674 6.854 594 HD22 LEU 82 2HD2 LEU 82 -11.248 0.796 7.277 595 HD23 LEU 82 3HD2 LEU 82 -11.366 2.547 7.577 596 H ALA 83 H ALA 83 -13.353 -0.177 6.948 597 HA ALA 83 HA ALA 83 -15.646 -0.387 5.254 598 HB1 ALA 83 1HB ALA 83 -16.175 0.693 7.893 599 HB2 ALA 83 2HB ALA 83 -16.605 -0.898 7.221 600 HB3 ALA 83 3HB ALA 83 -15.024 -0.660 8.002 601 H GLU 84 H GLU 84 -17.193 1.283 4.796 602 HA GLU 84 HA GLU 84 -15.972 3.731 4.213 603 HB2 GLU 84 1HB GLU 84 -17.923 2.578 2.993 604 HB3 GLU 84 2HB GLU 84 -18.965 3.173 4.270 605 HG2 GLU 84 1HG GLU 84 -17.606 5.480 3.616 606 HG3 GLU 84 2HG GLU 84 -17.623 4.670 2.063 607 H GLU 85 H GLU 85 -17.536 2.454 7.050 608 HA GLU 85 HA GLU 85 -18.328 5.018 8.025 609 HB2 GLU 85 1HB GLU 85 -18.941 3.738 10.088 610 HB3 GLU 85 2HB GLU 85 -19.664 3.074 8.636 611 HG2 GLU 85 1HG GLU 85 -18.244 1.193 8.614 612 HG3 GLU 85 2HG GLU 85 -16.984 1.998 9.528 613 H GLU 86 H GLU 86 -15.387 3.353 7.719 614 HA GLU 86 HA GLU 86 -14.326 4.696 10.079 615 HB2 GLU 86 1HB GLU 86 -13.133 2.358 8.524 616 HB3 GLU 86 2HB GLU 86 -12.459 3.069 9.977 617 HG2 GLU 86 1HG GLU 86 -15.145 2.496 10.659 618 HG3 GLU 86 2HG GLU 86 -14.635 1.117 9.705 619 H LEU 87 H LEU 87 -14.681 4.996 6.753 620 HA LEU 87 HA LEU 87 -12.275 5.580 5.682 621 HB2 LEU 87 1HB LEU 87 -15.032 6.635 5.317 622 HB3 LEU 87 2HB LEU 87 -13.723 7.517 4.554 623 HG LEU 87 HG LEU 87 -14.170 4.550 4.156 624 HD11 LEU 87 1HD1 LEU 87 -15.925 6.506 3.332 625 HD12 LEU 87 2HD1 LEU 87 -14.871 6.296 1.913 626 HD13 LEU 87 3HD1 LEU 87 -15.731 4.896 2.598 627 HD21 LEU 87 1HD2 LEU 87 -12.623 6.503 2.440 628 HD22 LEU 87 2HD2 LEU 87 -11.887 5.501 3.714 629 HD23 LEU 87 3HD2 LEU 87 -12.670 4.728 2.315 630 HA PRO 88 HA PRO 88 -12.358 9.814 7.786 631 HB2 PRO 88 1HB PRO 88 -14.172 10.321 9.766 632 HB3 PRO 88 2HB PRO 88 -14.416 10.797 8.098 633 HG2 PRO 88 1HG PRO 88 -15.672 8.579 9.594 634 HG3 PRO 88 2HG PRO 88 -16.195 9.329 8.100 635 HD2 PRO 88 1HD PRO 88 -14.879 6.796 8.380 636 HD3 PRO 88 2HD PRO 88 -15.298 7.599 6.880 637 H THR 89 H THR 89 -12.860 6.930 9.539 638 HA THR 89 HA THR 89 -11.023 7.913 11.615 639 HB THR 89 HB THR 89 -12.098 6.374 13.070 640 HG1 THR 89 1HG THR 89 -11.855 4.529 11.651 641 HG21 THR 89 1HG2 THR 89 -14.528 6.401 11.379 642 HG22 THR 89 2HG2 THR 89 -14.283 7.080 13.006 643 HG23 THR 89 3HG2 THR 89 -13.806 8.016 11.569 644 H ALA 90 H ALA 90 -10.384 7.020 8.763 645 HA ALA 90 HA ALA 90 -8.365 5.077 9.604 646 HB1 ALA 90 1HB ALA 90 -8.751 3.778 7.549 647 HB2 ALA 90 2HB ALA 90 -10.225 3.830 8.545 648 HB3 ALA 90 3HB ALA 90 -10.089 4.863 7.102 649 H THR 91 H THR 91 -6.397 5.186 8.343 650 HA THR 91 HA THR 91 -6.251 7.440 6.479 651 HB THR 91 HB THR 91 -4.187 7.022 8.682 652 HG1 THR 91 1HG THR 91 -6.699 8.527 8.537 653 HG21 THR 91 1HG2 THR 91 -3.871 8.606 6.601 654 HG22 THR 91 2HG2 THR 91 -5.114 9.613 7.381 655 HG23 THR 91 3HG2 THR 91 -3.579 9.284 8.220 656 H LEU 92 H LEU 92 -4.695 7.248 4.852 657 HA LEU 92 HA LEU 92 -3.550 4.549 4.703 658 HB2 LEU 92 1HB LEU 92 -5.317 5.215 3.044 659 HB3 LEU 92 2HB LEU 92 -4.202 6.416 2.424 660 HG LEU 92 HG LEU 92 -4.366 3.577 1.871 661 HD11 LEU 92 1HD1 LEU 92 -4.393 5.255 0.140 662 HD12 LEU 92 2HD1 LEU 92 -2.797 5.861 0.646 663 HD13 LEU 92 3HD1 LEU 92 -2.949 4.232 -0.056 664 HD21 LEU 92 1HD2 LEU 92 -1.994 3.027 1.902 665 HD22 LEU 92 2HD2 LEU 92 -1.621 4.596 2.655 666 HD23 LEU 92 3HD2 LEU 92 -2.580 3.388 3.544 667 H THR 93 H THR 93 -1.428 4.496 5.194 668 HA THR 93 HA THR 93 0.167 6.859 4.445 669 HB THR 93 HB THR 93 0.178 4.984 6.837 670 HG1 THR 93 1HG THR 93 0.419 7.846 6.231 671 HG21 THR 93 1HG2 THR 93 2.543 6.041 5.467 672 HG22 THR 93 2HG2 THR 93 2.342 6.816 7.057 673 HG23 THR 93 3HG2 THR 93 2.462 5.044 6.940 674 H LEU 94 H LEU 94 1.304 6.532 2.644 675 HA LEU 94 HA LEU 94 1.940 3.846 1.848 676 HB2 LEU 94 1HB LEU 94 2.088 6.569 0.660 677 HB3 LEU 94 2HB LEU 94 3.180 5.352 0.030 678 HG LEU 94 HG LEU 94 1.544 4.223 -1.039 679 HD11 LEU 94 1HD1 LEU 94 -0.078 4.751 1.419 680 HD12 LEU 94 2HD1 LEU 94 -0.912 4.283 -0.082 681 HD13 LEU 94 3HD1 LEU 94 0.327 3.214 0.618 682 HD21 LEU 94 1HD2 LEU 94 0.901 5.980 -2.250 683 HD22 LEU 94 2HD2 LEU 94 -0.559 6.008 -1.232 684 HD23 LEU 94 3HD2 LEU 94 0.829 7.047 -0.827 685 H THR 95 H THR 95 4.087 3.007 1.521 686 HA THR 95 HA THR 95 6.269 4.518 2.702 687 HB THR 95 HB THR 95 6.278 1.826 3.811 688 HG1 THR 95 1HG THR 95 4.242 2.026 4.924 689 HG21 THR 95 1HG2 THR 95 7.375 3.286 5.248 690 HG22 THR 95 2HG2 THR 95 6.365 4.670 4.764 691 HG23 THR 95 3HG2 THR 95 5.743 3.479 5.932 692 H LEU 96 H LEU 96 8.238 4.063 1.805 693 HA LEU 96 HA LEU 96 8.197 1.898 -0.183 694 HB2 LEU 96 1HB LEU 96 8.576 4.667 -0.543 695 HB3 LEU 96 2HB LEU 96 10.157 3.934 -0.730 696 HG LEU 96 HG LEU 96 7.785 2.802 -2.197 697 HD11 LEU 96 1HD1 LEU 96 9.508 4.990 -3.361 698 HD12 LEU 96 2HD1 LEU 96 7.994 4.300 -3.994 699 HD13 LEU 96 3HD1 LEU 96 7.965 5.325 -2.539 700 HD21 LEU 96 1HD2 LEU 96 9.563 2.205 -3.847 701 HD22 LEU 96 2HD2 LEU 96 10.770 2.835 -2.701 702 HD23 LEU 96 3HD2 LEU 96 9.756 1.443 -2.250 703 H ARG 97 H ARG 97 9.160 0.226 0.917 704 HA ARG 97 HA ARG 97 11.502 0.873 2.468 705 HB2 ARG 97 1HB ARG 97 9.555 -1.400 2.335 706 HB3 ARG 97 2HB ARG 97 11.203 -1.855 2.720 707 HG2 ARG 97 1HG ARG 97 10.970 -1.087 4.840 708 HG3 ARG 97 2HG ARG 97 10.536 0.507 4.255 709 HD2 ARG 97 1HD ARG 97 8.179 -0.103 4.095 710 HD3 ARG 97 2HD ARG 97 8.534 -1.795 4.378 711 HE ARG 97 HE ARG 97 9.557 -0.650 6.641 712 HH11 ARG 97 2HH2 ARG 97 6.460 -0.260 5.017 713 HH12 ARG 97 1HH2 ARG 97 5.597 0.106 6.474 714 HH21 ARG 97 2HH1 ARG 97 8.420 -0.168 8.564 715 HH22 ARG 97 1HH1 ARG 97 6.720 0.159 8.505 716 H THR 98 H THR 98 13.489 -0.575 2.213 717 HA THR 98 HA THR 98 13.824 -1.297 -0.624 718 HB THR 98 HB THR 98 16.307 -0.815 -0.004 719 HG1 THR 98 1HG THR 98 15.621 -0.883 2.359 720 HG21 THR 98 1HG2 THR 98 14.950 1.756 0.565 721 HG22 THR 98 2HG2 THR 98 16.031 1.329 -0.783 722 HG23 THR 98 3HG2 THR 98 14.297 0.934 -0.873 723 H CYS 99 H CYS 99 13.854 -3.409 -1.027 724 HA CYS 99 HA CYS 99 13.794 -5.359 0.855 725 HB2 CYS 99 1HB CYS 99 13.310 -5.588 -1.609 726 HB3 CYS 99 2HB CYS 99 15.037 -5.674 -1.894 727 HG CYS 99 HG CYS 99 13.729 -8.066 -1.882 728 H ASP 100 H ASP 100 15.272 -5.902 2.420 729 HA ASP 100 HA ASP 100 17.990 -6.241 1.666 730 HB2 ASP 100 1HB ASP 100 18.995 -4.616 3.075 731 HB3 ASP 100 2HB ASP 100 17.702 -3.743 2.277 732 H ARG 101 H ARG 101 19.245 -7.185 3.625 733 HA ARG 101 HA ARG 101 18.013 -9.252 4.718 734 HB2 ARG 101 1HB ARG 101 20.508 -8.488 4.861 735 HB3 ARG 101 2HB ARG 101 20.049 -7.656 6.333 736 HG2 ARG 101 1HG ARG 101 19.133 -9.864 7.216 737 HG3 ARG 101 2HG ARG 101 19.785 -10.649 5.792 738 HD2 ARG 101 1HD ARG 101 21.713 -8.911 7.281 739 HD3 ARG 101 2HD ARG 101 21.177 -10.341 8.142 740 HE ARG 101 HE ARG 101 21.824 -11.192 5.523 741 HH11 ARG 101 2HH2 ARG 101 23.484 -9.761 8.277 742 HH12 ARG 101 1HH2 ARG 101 25.013 -10.476 7.889 743 HH21 ARG 101 2HH1 ARG 101 23.841 -12.136 5.011 744 HH22 ARG 101 1HH1 ARG 101 25.218 -11.836 6.019 745 H PHE 102 H PHE 102 18.449 -6.029 6.358 746 HA PHE 102 HA PHE 102 15.906 -6.373 7.661 747 HB2 PHE 102 1HB PHE 102 18.566 -6.046 9.176 748 HB3 PHE 102 2HB PHE 102 16.985 -6.058 9.931 749 HD1 PHE 102 1HD PHE 102 15.552 -8.265 9.131 750 HD2 PHE 102 2HD PHE 102 19.775 -7.979 9.438 751 HE1 PHE 102 1HE PHE 102 15.701 -10.755 9.402 752 HE2 PHE 102 2HE PHE 102 19.923 -10.469 9.709 753 HZ PHE 102 HZ PHE 102 17.885 -11.828 9.688 754 H SER 103 H SER 103 15.119 -4.463 6.787 755 HA SER 103 HA SER 103 16.721 -2.184 6.546 756 HB2 SER 103 1HB SER 103 14.376 -2.964 5.445 757 HB3 SER 103 2HB SER 103 13.732 -1.928 6.704 758 HG SER 103 HG SER 103 14.167 -0.308 5.383 759 H ARG 104 H ARG 104 17.413 -2.636 9.019 760 HA ARG 104 HA ARG 104 15.880 -2.162 11.124 761 HB2 ARG 104 1HB ARG 104 18.646 -0.919 10.707 762 HB3 ARG 104 2HB ARG 104 17.905 -1.256 12.259 763 HG2 ARG 104 1HG ARG 104 18.582 -3.422 12.195 764 HG3 ARG 104 2HG ARG 104 17.851 -3.664 10.621 765 HD2 ARG 104 1HD ARG 104 19.965 -3.831 9.791 766 HD3 ARG 104 2HD ARG 104 20.106 -2.101 10.030 767 HE ARG 104 HE ARG 104 20.652 -3.311 12.534 768 HH11 ARG 104 2HH2 ARG 104 22.049 -3.229 9.306 769 HH12 ARG 104 1HH2 ARG 104 23.668 -3.496 9.861 770 HH21 ARG 104 2HH1 ARG 104 22.788 -3.662 13.267 771 HH22 ARG 104 1HH1 ARG 104 24.091 -3.744 12.129 772 H HIS 105 H HIS 105 17.590 0.422 9.208 773 HA HIS 105 HA HIS 105 16.581 2.569 10.615 774 HB2 HIS 105 1HB HIS 105 17.432 2.339 7.716 775 HB3 HIS 105 2HB HIS 105 17.105 3.860 8.524 776 HD1 HIS 105 1HD HIS 105 19.920 2.278 7.439 777 HD2 HIS 105 2HD HIS 105 18.784 3.495 11.289 778 HE1 HIS 105 1HE HIS 105 22.077 2.500 8.785 779 H SER 106 H SER 106 15.148 4.321 9.229 780 HA SER 106 HA SER 106 12.590 3.166 9.260 781 HB2 SER 106 1HB SER 106 13.499 5.900 8.254 782 HB3 SER 106 2HB SER 106 11.835 5.446 8.567 783 HG SER 106 HG SER 106 13.416 4.878 10.760 784 H VAL 107 H VAL 107 11.137 4.225 7.155 785 HA VAL 107 HA VAL 107 12.001 2.536 4.998 786 HB VAL 107 HB VAL 107 9.858 2.939 4.086 787 HG11 VAL 107 1HG1 VAL 107 8.785 3.058 6.780 788 HG12 VAL 107 2HG1 VAL 107 8.835 1.696 5.635 789 HG13 VAL 107 3HG1 VAL 107 10.220 2.008 6.709 790 HG21 VAL 107 1HG2 VAL 107 8.483 4.747 4.466 791 HG22 VAL 107 2HG2 VAL 107 9.120 5.031 6.103 792 HG23 VAL 107 3HG2 VAL 107 10.078 5.506 4.681 793 H ALA 108 H ALA 108 12.108 3.342 2.721 794 HA ALA 108 HA ALA 108 13.961 5.387 2.486 795 HB1 ALA 108 1HB ALA 108 13.096 3.409 0.895 796 HB2 ALA 108 2HB ALA 108 12.146 4.740 0.192 797 HB3 ALA 108 3HB ALA 108 13.922 4.847 0.247 798 H GLY 109 H GLY 109 10.461 5.453 2.796 799 HA2 GLY 109 1HA GLY 109 10.301 8.169 3.288 800 HA3 GLY 109 2HA GLY 109 10.011 7.978 1.571 801 H GLU 110 H GLU 110 8.038 8.918 3.450 802 HA GLU 110 HA GLU 110 6.132 6.742 3.148 803 HB2 GLU 110 1HB GLU 110 6.171 6.543 5.419 804 HB3 GLU 110 2HB GLU 110 6.975 8.084 5.641 805 HG2 GLU 110 1HG GLU 110 4.098 8.129 4.740 806 HG3 GLU 110 2HG GLU 110 4.419 7.684 6.404 807 H LEU 111 H LEU 111 4.193 7.363 2.220 808 HA LEU 111 HA LEU 111 3.864 10.254 1.825 809 HB2 LEU 111 1HB LEU 111 4.194 8.365 -0.080 810 HB3 LEU 111 2HB LEU 111 2.448 8.339 0.071 811 HG LEU 111 HG LEU 111 2.763 9.871 -1.619 812 HD11 LEU 111 1HD1 LEU 111 2.083 11.995 -0.826 813 HD12 LEU 111 2HD1 LEU 111 1.438 10.801 0.326 814 HD13 LEU 111 3HD1 LEU 111 2.884 11.751 0.744 815 HD21 LEU 111 1HD2 LEU 111 4.569 11.295 -1.958 816 HD22 LEU 111 2HD2 LEU 111 4.986 11.348 -0.228 817 HD23 LEU 111 3HD2 LEU 111 5.311 9.878 -1.178 818 H ARG 112 H ARG 112 2.474 11.023 3.338 819 HA ARG 112 HA ARG 112 0.490 9.306 4.406 820 HB2 ARG 112 1HB ARG 112 1.335 10.868 5.977 821 HB3 ARG 112 2HB ARG 112 1.330 12.187 4.824 822 HG2 ARG 112 1HG ARG 112 -0.489 12.508 6.446 823 HG3 ARG 112 2HG ARG 112 -1.167 12.218 4.855 824 HD2 ARG 112 1HD ARG 112 -2.272 10.378 5.601 825 HD3 ARG 112 2HD ARG 112 -0.781 9.662 6.178 826 HE ARG 112 HE ARG 112 -2.721 11.198 7.772 827 HH11 ARG 112 2HH2 ARG 112 0.551 9.913 7.603 828 HH12 ARG 112 1HH2 ARG 112 0.792 9.952 9.318 829 HH21 ARG 112 2HH1 ARG 112 -2.403 11.249 10.034 830 HH22 ARG 112 1HH1 ARG 112 -0.900 10.717 10.710 831 H LEU 113 H LEU 113 -1.661 9.137 3.771 832 HA LEU 113 HA LEU 113 -2.725 11.258 2.066 833 HB2 LEU 113 1HB LEU 113 -2.857 8.310 1.416 834 HB3 LEU 113 2HB LEU 113 -3.679 9.591 0.547 835 HG LEU 113 HG LEU 113 -0.670 9.306 0.783 836 HD11 LEU 113 1HD1 LEU 113 -1.734 7.491 -0.528 837 HD12 LEU 113 2HD1 LEU 113 -2.448 8.720 -1.599 838 HD13 LEU 113 3HD1 LEU 113 -0.680 8.541 -1.505 839 HD21 LEU 113 1HD2 LEU 113 -2.259 11.145 -1.023 840 HD22 LEU 113 2HD2 LEU 113 -1.523 11.641 0.520 841 HD23 LEU 113 3HD2 LEU 113 -0.492 11.076 -0.816 842 H GLY 114 H GLY 114 -5.231 10.760 1.746 843 HA2 GLY 114 1HA GLY 114 -6.285 9.727 4.307 844 HA3 GLY 114 2HA GLY 114 -6.787 11.276 3.659 845 H LEU 115 H LEU 115 -8.505 8.957 4.189 846 HA LEU 115 HA LEU 115 -9.275 8.285 1.435 847 HB2 LEU 115 1HB LEU 115 -10.202 6.703 3.788 848 HB3 LEU 115 2HB LEU 115 -9.984 6.213 2.120 849 HG LEU 115 HG LEU 115 -8.282 5.089 3.205 850 HD11 LEU 115 1HD1 LEU 115 -6.285 7.076 2.849 851 HD12 LEU 115 2HD1 LEU 115 -6.731 5.738 1.763 852 HD13 LEU 115 3HD1 LEU 115 -7.523 7.324 1.594 853 HD21 LEU 115 1HD2 LEU 115 -8.703 6.455 5.360 854 HD22 LEU 115 2HD2 LEU 115 -7.093 5.746 5.091 855 HD23 LEU 115 3HD2 LEU 115 -7.365 7.479 4.788 856 H ASP 116 H ASP 116 -10.235 9.599 4.598 857 HA ASP 116 HA ASP 116 -12.882 9.582 4.508 858 HB2 ASP 116 1HB ASP 116 -11.428 10.720 6.226 859 HB3 ASP 116 2HB ASP 116 -11.178 12.047 5.108 860 H GLY 117 H GLY 117 -10.650 11.305 2.359 861 HA2 GLY 117 1HA GLY 117 -11.314 11.970 0.202 862 HA3 GLY 117 2HA GLY 117 -12.937 12.279 0.786 863 H THR 118 H THR 118 -9.966 13.277 2.531 864 HA THR 118 HA THR 118 -10.733 16.071 1.998 865 HB THR 118 HB THR 118 -9.567 14.609 4.404 866 HG1 THR 118 1HG THR 118 -11.572 15.274 5.151 867 HG21 THR 118 1HG2 THR 118 -9.142 16.738 5.480 868 HG22 THR 118 2HG2 THR 118 -8.280 16.802 3.924 869 HG23 THR 118 3HG2 THR 118 -9.840 17.639 4.112 870 H SER 119 H SER 119 -7.677 14.716 3.309 871 HA SER 119 HA SER 119 -6.008 16.405 2.177 872 HB2 SER 119 1HB SER 119 -5.713 13.414 2.607 873 HB3 SER 119 2HB SER 119 -4.370 14.371 2.014 874 HG SER 119 HG SER 119 -5.594 14.354 4.574 875 H VAL 120 H VAL 120 -6.938 13.248 0.606 876 HA VAL 120 HA VAL 120 -6.614 14.586 -1.979 877 HB VAL 120 HB VAL 120 -5.686 12.275 -2.715 878 HG11 VAL 120 1HG1 VAL 120 -4.354 14.229 -2.957 879 HG12 VAL 120 2HG1 VAL 120 -4.114 14.374 -1.200 880 HG13 VAL 120 3HG1 VAL 120 -3.343 13.044 -2.096 881 HG21 VAL 120 1HG2 VAL 120 -5.047 12.241 0.253 882 HG22 VAL 120 2HG2 VAL 120 -6.027 11.060 -0.648 883 HG23 VAL 120 3HG2 VAL 120 -4.281 11.194 -0.965 884 HA PRO 121 HA PRO 121 -10.476 12.720 -2.592 885 HB2 PRO 121 1HB PRO 121 -10.793 13.220 -5.260 886 HB3 PRO 121 2HB PRO 121 -11.134 14.406 -4.016 887 HG2 PRO 121 1HG PRO 121 -8.828 14.264 -5.860 888 HG3 PRO 121 2HG PRO 121 -9.403 15.630 -4.925 889 HD2 PRO 121 1HD PRO 121 -7.131 13.981 -4.335 890 HD3 PRO 121 2HD PRO 121 -7.775 15.273 -3.341 891 H LEU 122 H LEU 122 -11.689 11.107 -4.031 892 HA LEU 122 HA LEU 122 -9.780 8.932 -4.400 893 HB2 LEU 122 1HB LEU 122 -12.770 9.041 -4.044 894 HB3 LEU 122 2HB LEU 122 -11.935 7.584 -4.543 895 HG LEU 122 HG LEU 122 -11.279 9.068 -1.988 896 HD11 LEU 122 1HD1 LEU 122 -13.268 8.405 -1.223 897 HD12 LEU 122 2HD1 LEU 122 -13.548 7.329 -2.613 898 HD13 LEU 122 3HD1 LEU 122 -12.583 6.762 -1.229 899 HD21 LEU 122 1HD2 LEU 122 -10.414 6.717 -1.397 900 HD22 LEU 122 2HD2 LEU 122 -10.480 6.405 -3.148 901 HD23 LEU 122 3HD2 LEU 122 -9.454 7.715 -2.515 902 H GLY 123 H GLY 123 -9.969 7.539 -6.336 903 HA2 GLY 123 1HA GLY 123 -9.931 7.288 -8.569 904 HA3 GLY 123 2HA GLY 123 -11.462 8.139 -8.587 905 H ALA 124 H ALA 124 -8.663 9.795 -7.214 906 HA ALA 124 HA ALA 124 -8.423 11.339 -9.705 907 HB1 ALA 124 1HB ALA 124 -9.443 12.203 -7.230 908 HB2 ALA 124 2HB ALA 124 -7.780 12.837 -7.288 909 HB3 ALA 124 3HB ALA 124 -8.928 13.228 -8.591 910 H ALA 125 H ALA 125 -6.537 10.488 -10.536 911 HA ALA 125 HA ALA 125 -4.413 9.603 -8.922 912 HB1 ALA 125 1HB ALA 125 -3.431 9.041 -10.935 913 HB2 ALA 125 2HB ALA 125 -5.122 9.201 -11.467 914 HB3 ALA 125 3HB ALA 125 -3.973 10.532 -11.741 915 H GLN 126 H GLN 126 -2.924 10.750 -7.799 916 HA GLN 126 HA GLN 126 -2.210 13.353 -8.852 917 HB2 GLN 126 1HB GLN 126 -2.241 14.198 -6.399 918 HB3 GLN 126 2HB GLN 126 -3.775 14.066 -7.234 919 HG2 GLN 126 1HG GLN 126 -3.519 11.523 -6.156 920 HG3 GLN 126 2HG GLN 126 -2.736 12.499 -4.929 921 HE21 GLN 126 1HE2 GLN 126 -5.382 11.030 -5.201 922 HE22 GLN 126 2HE2 GLN 126 -6.587 12.159 -4.676 923 H TRP 127 H TRP 127 -0.109 14.162 -7.943 924 HA TRP 127 HA TRP 127 1.612 11.876 -7.362 925 HB2 TRP 127 1HB TRP 127 2.065 14.619 -8.498 926 HB3 TRP 127 2HB TRP 127 3.396 13.708 -7.813 927 HD1 TRP 127 HD TRP 127 1.015 13.672 -10.833 928 HE1 TRP 127 1HE TRP 127 1.861 12.016 -12.706 929 HE3 TRP 127 3HE TRP 127 4.743 11.606 -8.060 930 HZ2 TRP 127 2HZ TRP 127 3.947 10.072 -12.815 931 HZ3 TRP 127 3HZ TRP 127 6.138 9.835 -9.124 932 HH2 TRP 127 HH TRP 127 5.789 9.064 -11.417 933 H GLY 128 H GLY 128 3.385 12.279 -5.694 934 HA2 GLY 128 1HA GLY 128 2.849 14.318 -3.711 935 HA3 GLY 128 2HA GLY 128 2.470 12.686 -3.197 936 H GLU 129 H GLU 129 4.595 14.517 -2.193 937 HA GLU 129 HA GLU 129 6.966 13.126 -3.121 938 HB2 GLU 129 1HB GLU 129 6.394 15.813 -2.050 939 HB3 GLU 129 2HB GLU 129 7.785 15.072 -1.285 940 HG2 GLU 129 1HG GLU 129 9.059 15.405 -3.132 941 HG3 GLU 129 2HG GLU 129 7.901 14.565 -4.143 942 H LEU 130 H LEU 130 7.924 11.551 -1.891 943 HA LEU 130 HA LEU 130 6.688 10.540 0.361 944 HB2 LEU 130 1HB LEU 130 9.515 10.249 -0.656 945 HB3 LEU 130 2HB LEU 130 8.855 9.308 0.667 946 HG LEU 130 HG LEU 130 7.529 9.334 -2.043 947 HD11 LEU 130 1HD1 LEU 130 9.285 8.330 -2.961 948 HD12 LEU 130 2HD1 LEU 130 10.137 8.256 -1.400 949 HD13 LEU 130 3HD1 LEU 130 9.004 6.961 -1.858 950 HD21 LEU 130 1HD2 LEU 130 7.542 7.302 0.207 951 HD22 LEU 130 2HD2 LEU 130 6.232 8.448 -0.166 952 HD23 LEU 130 3HD2 LEU 130 6.653 7.169 -1.329 953 H LYS 131 H LYS 131 6.768 10.961 2.530 954 HA LYS 131 HA LYS 131 8.288 13.322 3.284 955 HB2 LYS 131 1HB LYS 131 6.046 11.783 4.616 956 HB3 LYS 131 2HB LYS 131 6.899 13.099 5.396 957 HG2 LYS 131 1HG LYS 131 5.286 14.401 4.414 958 HG3 LYS 131 2HG LYS 131 6.324 14.296 3.006 959 HD2 LYS 131 1HD LYS 131 4.992 12.083 2.475 960 HD3 LYS 131 2HD LYS 131 3.812 12.702 3.614 961 HE2 LYS 131 1HE LYS 131 4.667 14.778 1.706 962 HE3 LYS 131 2HE LYS 131 4.014 13.375 0.883 963 HZ1 LYS 131 1HZ LYS 131 2.483 15.242 1.810 964 HZ2 LYS 131 2HZ LYS 131 1.996 13.683 1.816 965 HZ3 LYS 131 3HZ LYS 131 2.565 14.367 3.186 966 H THR 132 H THR 132 10.340 12.011 2.952 967 HA THR 132 HA THR 132 10.853 9.935 4.867 968 HB THR 132 HB THR 132 12.915 9.744 3.677 969 HG1 THR 132 1HG THR 132 12.344 12.488 2.808 970 HG21 THR 132 1HG2 THR 132 10.684 9.797 2.142 971 HG22 THR 132 2HG2 THR 132 11.485 11.246 1.488 972 HG23 THR 132 3HG2 THR 132 12.306 9.668 1.420 973 H SER 133 H SER 133 11.003 10.356 6.983 974 HA SER 133 HA SER 133 11.685 12.913 7.904 975 HB2 SER 133 1HB SER 133 10.251 11.549 9.266 976 HB3 SER 133 2HB SER 133 11.377 10.205 9.249 977 HG SER 133 HG SER 133 12.323 11.021 10.978 978 H GLY 134 H GLY 134 13.387 9.700 8.189 979 HA2 GLY 134 1HA GLY 134 15.890 10.548 7.393 980 HA3 GLY 134 2HA GLY 134 15.815 10.863 9.115 981 HA PRO 135 HA PRO 135 16.531 6.336 8.203 982 HB2 PRO 135 1HB PRO 135 19.253 6.146 8.049 983 HB3 PRO 135 2HB PRO 135 18.216 6.208 6.638 984 HG2 PRO 135 1HG PRO 135 19.940 8.328 7.767 985 HG3 PRO 135 2HG PRO 135 19.243 8.218 6.163 986 HD2 PRO 135 1HD PRO 135 18.335 9.878 8.318 987 HD3 PRO 135 2HD PRO 135 17.570 9.681 6.754 988 H SER 136 H SER 136 15.711 7.343 10.467 989 HA SER 136 HA SER 136 17.694 6.262 12.311 990 HB2 SER 136 1HB SER 136 16.647 8.921 12.221 991 HB3 SER 136 2HB SER 136 15.927 8.155 13.623 992 HG SER 136 HG SER 136 18.761 7.991 13.096 993 H SER 137 H SER 137 16.840 4.264 12.840 994 HA SER 137 HA SER 137 14.355 3.397 12.596 995 HB2 SER 137 1HB SER 137 16.267 2.008 13.337 996 HB3 SER 137 2HB SER 137 16.241 2.775 14.913 997 HG SER 137 HG SER 137 15.104 0.617 14.648 998 H GLY 138 H GLY 138 12.504 3.067 14.102 999 HA2 GLY 138 1HA GLY 138 12.358 4.557 16.539 1000 HA3 GLY 138 2HA GLY 138 11.526 5.369 15.228 Start of MODEL 19 1 H1 GLY 1 H GLY 1 17.362 2.030 24.290 2 HA2 GLY 1 1HA GLY 1 19.866 3.393 24.482 3 HA3 GLY 1 2HA GLY 1 20.051 1.796 23.784 4 H SER 2 H SER 2 20.251 4.621 22.609 5 HA SER 2 HA SER 2 18.916 3.960 20.199 6 HB2 SER 2 1HB SER 2 17.204 5.202 21.787 7 HB3 SER 2 2HB SER 2 18.113 6.639 21.360 8 HG SER 2 HG SER 2 16.184 6.030 19.974 9 H SER 3 H SER 3 19.344 5.842 18.516 10 HA SER 3 HA SER 3 21.680 7.365 19.284 11 HB2 SER 3 1HB SER 3 22.861 6.673 17.176 12 HB3 SER 3 2HB SER 3 22.669 5.367 18.329 13 HG SER 3 HG SER 3 21.605 4.277 16.837 14 H GLY 4 H GLY 4 19.702 6.464 16.354 15 HA2 GLY 4 1HA GLY 4 18.078 8.021 15.512 16 HA3 GLY 4 2HA GLY 4 19.129 9.340 15.989 17 H SER 5 H SER 5 18.349 9.510 13.438 18 HA SER 5 HA SER 5 20.756 9.335 12.045 19 HB2 SER 5 1HB SER 5 19.201 6.945 11.954 20 HB3 SER 5 2HB SER 5 18.987 7.719 10.396 21 HG SER 5 HG SER 5 21.022 6.228 11.059 22 H SER 6 H SER 6 20.549 10.338 9.857 23 HA SER 6 HA SER 6 18.046 11.151 8.921 24 HB2 SER 6 1HB SER 6 18.504 12.670 11.017 25 HB3 SER 6 2HB SER 6 19.667 13.482 9.988 26 HG SER 6 HG SER 6 17.412 14.377 10.016 27 H GLY 7 H GLY 7 18.380 12.846 7.052 28 HA2 GLY 7 1HA GLY 7 20.994 13.302 6.057 29 HA3 GLY 7 2HA GLY 7 20.294 11.896 5.281 30 H SER 8 H SER 8 20.801 13.901 3.576 31 HA SER 8 HA SER 8 18.254 14.537 2.619 32 HB2 SER 8 1HB SER 8 18.650 16.290 4.499 33 HB3 SER 8 2HB SER 8 19.855 16.989 3.435 34 HG SER 8 HG SER 8 18.085 18.086 2.788 35 H TRP 9 H TRP 9 18.431 15.785 0.495 36 HA TRP 9 HA TRP 9 20.975 16.349 -0.584 37 HB2 TRP 9 1HB TRP 9 20.679 13.690 -0.471 38 HB3 TRP 9 2HB TRP 9 19.834 13.986 -1.978 39 HD1 TRP 9 HD TRP 9 22.945 16.077 -1.033 40 HE1 TRP 9 1HE TRP 9 24.937 15.624 -2.703 41 HE3 TRP 9 3HE TRP 9 20.687 12.257 -3.517 42 HZ2 TRP 9 2HZ TRP 9 25.337 13.760 -4.827 43 HZ3 TRP 9 3HZ TRP 9 21.948 11.175 -5.376 44 HH2 TRP 9 HH TRP 9 24.195 11.869 -6.042 45 H ASN 10 H ASN 10 20.671 16.798 -3.053 46 HA ASN 10 HA ASN 10 18.605 18.533 -3.357 47 HB2 ASN 10 1HB ASN 10 20.072 16.954 -5.537 48 HB3 ASN 10 2HB ASN 10 19.140 18.411 -5.823 49 HD21 ASN 10 1HD2 ASN 10 21.785 18.211 -6.520 50 HD22 ASN 10 2HD2 ASN 10 22.757 19.267 -5.550 51 H GLN 11 H GLN 11 16.875 18.302 -5.269 52 HA GLN 11 HA GLN 11 15.011 17.397 -5.924 53 HB2 GLN 11 1HB GLN 11 17.090 15.519 -6.590 54 HB3 GLN 11 2HB GLN 11 15.659 14.601 -6.164 55 HG2 GLN 11 1HG GLN 11 15.063 16.950 -7.870 56 HG3 GLN 11 2HG GLN 11 16.141 15.802 -8.638 57 HE21 GLN 11 1HE2 GLN 11 14.979 14.665 -9.997 58 HE22 GLN 11 2HE2 GLN 11 13.491 13.842 -9.664 59 H ALA 12 H ALA 12 13.276 15.567 -5.470 60 HA ALA 12 HA ALA 12 13.528 14.617 -2.716 61 HB1 ALA 12 1HB ALA 12 11.811 16.777 -3.683 62 HB2 ALA 12 2HB ALA 12 10.865 15.450 -2.968 63 HB3 ALA 12 3HB ALA 12 12.140 16.248 -2.016 64 HA PRO 13 HA PRO 13 11.717 11.106 -4.478 65 HB2 PRO 13 1HB PRO 13 10.737 9.838 -2.264 66 HB3 PRO 13 2HB PRO 13 12.423 9.777 -2.735 67 HG2 PRO 13 1HG PRO 13 11.165 11.319 -0.550 68 HG3 PRO 13 2HG PRO 13 12.854 10.909 -0.773 69 HD2 PRO 13 1HD PRO 13 11.625 13.453 -1.269 70 HD3 PRO 13 2HD PRO 13 13.288 13.010 -1.600 71 H LYS 14 H LYS 14 9.956 10.558 -5.633 72 HA LYS 14 HA LYS 14 7.483 11.765 -4.601 73 HB2 LYS 14 1HB LYS 14 8.807 11.988 -7.190 74 HB3 LYS 14 2HB LYS 14 7.167 11.394 -7.353 75 HG2 LYS 14 1HG LYS 14 6.543 13.328 -5.673 76 HG3 LYS 14 2HG LYS 14 8.110 13.991 -6.093 77 HD2 LYS 14 1HD LYS 14 6.205 13.148 -8.296 78 HD3 LYS 14 2HD LYS 14 5.962 14.683 -7.486 79 HE2 LYS 14 1HE LYS 14 8.623 13.859 -8.739 80 HE3 LYS 14 2HE LYS 14 7.405 14.783 -9.596 81 HZ1 LYS 14 1HZ LYS 14 7.850 16.597 -8.393 82 HZ2 LYS 14 2HZ LYS 14 8.119 15.789 -6.999 83 HZ3 LYS 14 3HZ LYS 14 9.293 15.880 -8.130 84 H LEU 15 H LEU 15 5.522 10.543 -4.865 85 HA LEU 15 HA LEU 15 5.876 7.787 -5.729 86 HB2 LEU 15 1HB LEU 15 6.340 7.437 -3.493 87 HB3 LEU 15 2HB LEU 15 5.229 8.678 -2.948 88 HG LEU 15 HG LEU 15 3.318 7.279 -3.409 89 HD11 LEU 15 1HD1 LEU 15 3.283 5.368 -4.639 90 HD12 LEU 15 2HD1 LEU 15 4.672 6.165 -5.416 91 HD13 LEU 15 3HD1 LEU 15 4.942 4.906 -4.187 92 HD21 LEU 15 1HD2 LEU 15 4.874 6.957 -1.323 93 HD22 LEU 15 2HD2 LEU 15 3.523 5.838 -1.629 94 HD23 LEU 15 3HD2 LEU 15 5.185 5.365 -2.056 95 H HIS 16 H HIS 16 4.368 7.530 -7.280 96 HA HIS 16 HA HIS 16 2.009 9.189 -7.177 97 HB2 HIS 16 1HB HIS 16 3.470 8.703 -9.245 98 HB3 HIS 16 2HB HIS 16 2.687 7.135 -9.283 99 HD1 HIS 16 1HD HIS 16 0.867 7.137 -10.979 100 HD2 HIS 16 2HD HIS 16 1.131 10.808 -8.966 101 HE1 HIS 16 1HE HIS 16 -0.990 8.608 -11.927 102 H TYR 17 H TYR 17 -0.099 8.466 -6.835 103 HA TYR 17 HA TYR 17 -0.616 5.641 -6.650 104 HB2 TYR 17 1HB TYR 17 -1.456 6.062 -4.217 105 HB3 TYR 17 2HB TYR 17 0.285 6.036 -4.408 106 HD1 TYR 17 2HD TYR 17 -2.650 8.192 -3.828 107 HD2 TYR 17 1HD TYR 17 1.616 8.047 -4.114 108 HE1 TYR 17 2HE TYR 17 -2.494 10.505 -2.783 109 HE2 TYR 17 1HE TYR 17 1.758 10.360 -3.068 110 HH TYR 17 HH TYR 17 -0.640 12.438 -2.963 111 H CYS 18 H CYS 18 -2.771 5.190 -7.042 112 HA CYS 18 HA CYS 18 -4.477 7.556 -7.296 113 HB2 CYS 18 1HB CYS 18 -4.218 6.627 -9.453 114 HB3 CYS 18 2HB CYS 18 -4.369 4.981 -8.871 115 HG CYS 18 HG CYS 18 -6.490 6.895 -10.035 116 H LEU 19 H LEU 19 -5.795 7.698 -5.506 117 HA LEU 19 HA LEU 19 -6.450 5.304 -4.042 118 HB2 LEU 19 1HB LEU 19 -7.369 8.135 -3.549 119 HB3 LEU 19 2HB LEU 19 -7.400 6.791 -2.426 120 HG LEU 19 HG LEU 19 -5.572 7.936 -1.665 121 HD11 LEU 19 1HD1 LEU 19 -3.931 6.495 -3.696 122 HD12 LEU 19 2HD1 LEU 19 -3.779 6.556 -1.923 123 HD13 LEU 19 3HD1 LEU 19 -5.031 5.538 -2.675 124 HD21 LEU 19 1HD2 LEU 19 -5.743 9.566 -3.651 125 HD22 LEU 19 2HD2 LEU 19 -4.163 9.362 -2.858 126 HD23 LEU 19 3HD2 LEU 19 -4.491 8.553 -4.409 127 H ASP 20 H ASP 20 -8.352 4.180 -4.107 128 HA ASP 20 HA ASP 20 -10.633 5.446 -5.292 129 HB2 ASP 20 1HB ASP 20 -9.574 4.518 -7.286 130 HB3 ASP 20 2HB ASP 20 -9.283 2.987 -6.486 131 H TYR 21 H TYR 21 -12.158 4.948 -3.706 132 HA TYR 21 HA TYR 21 -11.895 2.386 -2.319 133 HB2 TYR 21 1HB TYR 21 -12.041 4.694 -1.160 134 HB3 TYR 21 2HB TYR 21 -13.635 4.889 -1.860 135 HD1 TYR 21 1HD TYR 21 -11.655 2.769 0.478 136 HD2 TYR 21 2HD TYR 21 -15.552 3.982 -0.802 137 HE1 TYR 21 1HE TYR 21 -12.687 1.595 2.483 138 HE2 TYR 21 2HE TYR 21 -16.571 2.805 1.208 139 HH TYR 21 HH TYR 21 -15.062 0.543 2.925 140 H ASP 22 H ASP 22 -13.124 0.712 -3.009 141 HA ASP 22 HA ASP 22 -15.442 1.346 -4.600 142 HB2 ASP 22 1HB ASP 22 -13.572 -0.909 -4.311 143 HB3 ASP 22 2HB ASP 22 -15.236 -1.458 -4.313 144 H CYS 23 H CYS 23 -16.887 2.084 -2.870 145 HA CYS 23 HA CYS 23 -17.288 1.026 -0.446 146 HB2 CYS 23 1HB CYS 23 -19.411 2.041 -0.422 147 HB3 CYS 23 2HB CYS 23 -18.468 3.005 -1.541 148 HG CYS 23 HG CYS 23 -20.659 0.601 -2.139 149 H GLN 24 H GLN 24 -18.243 -0.299 -3.625 150 HA GLN 24 HA GLN 24 -20.079 -2.150 -2.821 151 HB2 GLN 24 1HB GLN 24 -18.014 -2.695 -4.982 152 HB3 GLN 24 2HB GLN 24 -19.678 -3.240 -4.922 153 HG2 GLN 24 1HG GLN 24 -19.848 -0.418 -4.738 154 HG3 GLN 24 2HG GLN 24 -18.594 -0.706 -5.928 155 HE21 GLN 24 1HE2 GLN 24 -19.182 -2.707 -7.391 156 HE22 GLN 24 2HE2 GLN 24 -20.741 -2.632 -8.141 157 H LYS 25 H LYS 25 -16.473 -2.451 -3.024 158 HA LYS 25 HA LYS 25 -16.637 -5.070 -1.790 159 HB2 LYS 25 1HB LYS 25 -14.103 -3.613 -2.531 160 HB3 LYS 25 2HB LYS 25 -14.380 -5.337 -2.396 161 HG2 LYS 25 1HG LYS 25 -16.229 -4.764 -4.312 162 HG3 LYS 25 2HG LYS 25 -15.098 -3.465 -4.631 163 HD2 LYS 25 1HD LYS 25 -13.456 -4.890 -5.400 164 HD3 LYS 25 2HD LYS 25 -13.830 -6.132 -4.220 165 HE2 LYS 25 1HE LYS 25 -15.368 -7.176 -5.593 166 HE3 LYS 25 2HE LYS 25 -15.956 -5.669 -6.266 167 HZ1 LYS 25 1HZ LYS 25 -13.713 -5.584 -7.406 168 HZ2 LYS 25 2HZ LYS 25 -13.566 -7.166 -7.027 169 HZ3 LYS 25 3HZ LYS 25 -14.798 -6.663 -7.974 170 H ALA 26 H ALA 26 -15.827 -1.684 -1.045 171 HA ALA 26 HA ALA 26 -15.683 -0.684 0.942 172 HB1 ALA 26 1HB ALA 26 -16.767 -1.657 2.663 173 HB2 ALA 26 2HB ALA 26 -16.989 -3.068 1.601 174 HB3 ALA 26 3HB ALA 26 -15.608 -3.007 2.723 175 H GLU 27 H GLU 27 -13.462 -1.476 -0.699 176 HA GLU 27 HA GLU 27 -11.471 -1.655 1.410 177 HB2 GLU 27 1HB GLU 27 -11.191 -3.113 -1.250 178 HB3 GLU 27 2HB GLU 27 -10.110 -3.207 0.126 179 HG2 GLU 27 1HG GLU 27 -11.322 -4.950 0.918 180 HG3 GLU 27 2HG GLU 27 -12.679 -3.866 1.154 181 H LEU 28 H LEU 28 -9.691 -0.277 1.130 182 HA LEU 28 HA LEU 28 -10.024 1.706 -0.930 183 HB2 LEU 28 1HB LEU 28 -9.491 2.190 1.472 184 HB3 LEU 28 2HB LEU 28 -7.905 1.492 1.209 185 HG LEU 28 HG LEU 28 -8.090 4.025 1.124 186 HD11 LEU 28 1HD1 LEU 28 -6.650 2.211 -0.679 187 HD12 LEU 28 2HD1 LEU 28 -6.764 3.885 -1.275 188 HD13 LEU 28 3HD1 LEU 28 -6.054 3.556 0.324 189 HD21 LEU 28 1HD2 LEU 28 -8.916 5.102 -0.833 190 HD22 LEU 28 2HD2 LEU 28 -9.209 3.547 -1.646 191 HD23 LEU 28 3HD2 LEU 28 -10.199 4.018 -0.244 192 H PHE 29 H PHE 29 -8.732 2.027 -2.727 193 HA PHE 29 HA PHE 29 -6.670 -0.026 -3.131 194 HB2 PHE 29 1HB PHE 29 -8.617 1.405 -5.036 195 HB3 PHE 29 2HB PHE 29 -7.324 0.368 -5.606 196 HD1 PHE 29 1HD PHE 29 -10.307 0.316 -3.373 197 HD2 PHE 29 2HD PHE 29 -7.728 -1.898 -5.914 198 HE1 PHE 29 1HE PHE 29 -11.817 -1.678 -3.167 199 HE2 PHE 29 2HE PHE 29 -9.238 -3.892 -5.708 200 HZ PHE 29 HZ PHE 29 -11.264 -3.759 -4.337 201 H VAL 30 H VAL 30 -4.712 0.613 -4.154 202 HA VAL 30 HA VAL 30 -4.440 3.478 -4.672 203 HB VAL 30 HB VAL 30 -2.656 1.807 -2.892 204 HG11 VAL 30 1HG1 VAL 30 -2.026 4.630 -2.936 205 HG12 VAL 30 2HG1 VAL 30 -0.974 3.229 -3.251 206 HG13 VAL 30 3HG1 VAL 30 -1.924 3.944 -4.576 207 HG21 VAL 30 1HG2 VAL 30 -3.782 2.642 -1.157 208 HG22 VAL 30 2HG2 VAL 30 -3.572 4.303 -1.762 209 HG23 VAL 30 3HG2 VAL 30 -4.959 3.328 -2.303 210 H THR 31 H THR 31 -4.519 2.911 -6.923 211 HA THR 31 HA THR 31 -2.383 1.140 -7.847 212 HB THR 31 HB THR 31 -3.680 1.184 -9.960 213 HG1 THR 31 1HG THR 31 -5.567 2.861 -8.521 214 HG21 THR 31 1HG2 THR 31 -5.284 0.843 -7.392 215 HG22 THR 31 2HG2 THR 31 -6.064 0.664 -8.982 216 HG23 THR 31 3HG2 THR 31 -4.726 -0.415 -8.521 217 H ARG 32 H ARG 32 -2.027 2.254 -10.428 218 HA ARG 32 HA ARG 32 -0.642 3.587 -11.421 219 HB2 ARG 32 1HB ARG 32 -1.856 5.775 -9.658 220 HB3 ARG 32 2HB ARG 32 -1.020 6.037 -11.176 221 HG2 ARG 32 1HG ARG 32 -3.488 4.259 -10.984 222 HG3 ARG 32 2HG ARG 32 -3.611 5.988 -11.248 223 HD2 ARG 32 1HD ARG 32 -2.104 5.734 -13.277 224 HD3 ARG 32 2HD ARG 32 -2.134 3.999 -13.039 225 HE ARG 32 HE ARG 32 -4.815 5.154 -13.145 226 HH11 ARG 32 2HH2 ARG 32 -2.141 3.954 -15.093 227 HH12 ARG 32 1HH2 ARG 32 -3.137 3.578 -16.459 228 HH21 ARG 32 2HH1 ARG 32 -6.130 4.657 -14.948 229 HH22 ARG 32 1HH1 ARG 32 -5.421 3.981 -16.376 230 H LEU 33 H LEU 33 0.683 2.221 -9.451 231 HA LEU 33 HA LEU 33 2.007 3.982 -7.636 232 HB2 LEU 33 1HB LEU 33 2.208 1.082 -8.367 233 HB3 LEU 33 2HB LEU 33 3.470 1.832 -7.411 234 HG LEU 33 HG LEU 33 2.082 0.901 -5.808 235 HD11 LEU 33 1HD1 LEU 33 2.535 3.361 -5.465 236 HD12 LEU 33 2HD1 LEU 33 0.872 3.664 -6.021 237 HD13 LEU 33 3HD1 LEU 33 1.158 2.692 -4.558 238 HD21 LEU 33 1HD2 LEU 33 0.235 0.566 -7.666 239 HD22 LEU 33 2HD2 LEU 33 -0.170 0.517 -5.934 240 HD23 LEU 33 3HD2 LEU 33 -0.488 1.990 -6.880 241 H GLU 34 H GLU 34 3.521 5.431 -8.226 242 HA GLU 34 HA GLU 34 5.481 4.537 -10.158 243 HB2 GLU 34 1HB GLU 34 4.314 7.325 -10.410 244 HB3 GLU 34 2HB GLU 34 5.279 6.439 -11.575 245 HG2 GLU 34 1HG GLU 34 3.374 4.762 -11.780 246 HG3 GLU 34 2HG GLU 34 2.412 5.795 -10.741 247 H ALA 35 H ALA 35 6.978 4.376 -8.409 248 HA ALA 35 HA ALA 35 7.347 6.593 -6.642 249 HB1 ALA 35 1HB ALA 35 9.119 5.204 -5.706 250 HB2 ALA 35 2HB ALA 35 7.685 4.196 -6.015 251 HB3 ALA 35 3HB ALA 35 9.074 4.133 -7.127 252 H VAL 36 H VAL 36 8.562 8.384 -6.998 253 HA VAL 36 HA VAL 36 10.497 8.227 -9.205 254 HB VAL 36 HB VAL 36 8.609 10.386 -8.305 255 HG11 VAL 36 1HG1 VAL 36 10.152 11.961 -8.662 256 HG12 VAL 36 2HG1 VAL 36 11.336 10.758 -9.229 257 HG13 VAL 36 3HG1 VAL 36 10.169 11.466 -10.372 258 HG21 VAL 36 1HG2 VAL 36 9.249 9.452 -11.111 259 HG22 VAL 36 2HG2 VAL 36 8.029 8.653 -10.091 260 HG23 VAL 36 3HG2 VAL 36 7.832 10.364 -10.539 261 H THR 37 H THR 37 11.934 7.318 -7.446 262 HA THR 37 HA THR 37 12.757 9.282 -5.463 263 HB THR 37 HB THR 37 14.093 7.342 -4.618 264 HG1 THR 37 1HG THR 37 13.788 5.347 -5.944 265 HG21 THR 37 1HG2 THR 37 11.168 6.974 -5.300 266 HG22 THR 37 2HG2 THR 37 12.075 5.568 -4.692 267 HG23 THR 37 3HG2 THR 37 11.948 7.041 -3.701 268 H SER 38 H SER 38 15.475 8.703 -5.222 269 HA SER 38 HA SER 38 16.665 9.100 -7.780 270 HB2 SER 38 1HB SER 38 17.690 11.295 -7.223 271 HB3 SER 38 2HB SER 38 15.944 11.398 -7.325 272 HG SER 38 HG SER 38 17.482 11.155 -4.880 273 H ASN 39 H ASN 39 17.836 7.181 -7.188 274 HA ASN 39 HA ASN 39 20.042 7.757 -5.458 275 HB2 ASN 39 1HB ASN 39 18.240 6.748 -3.956 276 HB3 ASN 39 2HB ASN 39 18.279 5.304 -4.947 277 HD21 ASN 39 1HD2 ASN 39 19.714 3.773 -4.547 278 HD22 ASN 39 2HD2 ASN 39 21.048 3.875 -3.447 279 H HIS 40 H HIS 40 21.757 5.984 -5.712 280 HA HIS 40 HA HIS 40 22.180 5.315 -8.311 281 HB2 HIS 40 1HB HIS 40 23.181 3.992 -5.779 282 HB3 HIS 40 2HB HIS 40 23.804 3.620 -7.374 283 HD1 HIS 40 1HD HIS 40 24.427 5.775 -4.554 284 HD2 HIS 40 2HD HIS 40 24.829 6.145 -8.713 285 HE1 HIS 40 1HE HIS 40 26.039 7.713 -4.947 286 H ASP 41 H ASP 41 21.227 3.936 -9.720 287 HA ASP 41 HA ASP 41 19.258 2.158 -8.730 288 HB2 ASP 41 1HB ASP 41 18.978 1.568 -11.150 289 HB3 ASP 41 2HB ASP 41 18.910 3.296 -10.863 290 H GLY 42 H GLY 42 19.284 -0.237 -9.661 291 HA2 GLY 42 1HA GLY 42 20.293 -2.239 -9.941 292 HA3 GLY 42 2HA GLY 42 21.809 -1.420 -10.264 293 H GLY 43 H GLY 43 20.110 -3.378 -8.053 294 HA2 GLY 43 1HA GLY 43 21.666 -4.314 -6.355 295 HA3 GLY 43 2HA GLY 43 21.968 -2.660 -5.864 296 H CYS 44 H CYS 44 20.013 -5.432 -5.381 297 HA CYS 44 HA CYS 44 18.352 -5.865 -4.013 298 HB2 CYS 44 1HB CYS 44 19.446 -3.404 -2.877 299 HB3 CYS 44 2HB CYS 44 17.732 -3.566 -2.550 300 HG CYS 44 HG CYS 44 20.256 -5.584 -1.908 301 H ASP 45 H ASP 45 16.046 -5.805 -4.158 302 HA ASP 45 HA ASP 45 15.114 -4.112 -6.280 303 HB2 ASP 45 1HB ASP 45 13.414 -6.067 -4.697 304 HB3 ASP 45 2HB ASP 45 13.209 -5.558 -6.361 305 H CYS 46 H CYS 46 13.461 -2.496 -5.992 306 HA CYS 46 HA CYS 46 12.970 -1.814 -3.195 307 HB2 CYS 46 1HB CYS 46 12.455 0.452 -4.027 308 HB3 CYS 46 2HB CYS 46 14.081 -0.054 -4.442 309 HG CYS 46 HG CYS 46 11.445 -0.532 -6.381 310 H TYR 47 H TYR 47 10.722 -1.016 -2.679 311 HA TYR 47 HA TYR 47 8.628 -1.526 -4.543 312 HB2 TYR 47 1HB TYR 47 7.689 -3.448 -3.256 313 HB3 TYR 47 2HB TYR 47 9.325 -3.847 -3.741 314 HD1 TYR 47 2HD TYR 47 7.142 -3.003 -0.907 315 HD2 TYR 47 1HD TYR 47 11.131 -3.995 -2.095 316 HE1 TYR 47 2HE TYR 47 7.755 -3.471 1.516 317 HE2 TYR 47 1HE TYR 47 11.730 -4.460 0.332 318 HH TYR 47 HH TYR 47 9.338 -3.954 2.908 319 H VAL 48 H VAL 48 6.655 -0.611 -3.857 320 HA VAL 48 HA VAL 48 6.935 1.060 -1.494 321 HB VAL 48 HB VAL 48 6.203 1.802 -3.856 322 HG11 VAL 48 1HG1 VAL 48 3.402 1.237 -3.039 323 HG12 VAL 48 2HG1 VAL 48 4.138 1.304 -4.658 324 HG13 VAL 48 3HG1 VAL 48 4.342 -0.147 -3.647 325 HG21 VAL 48 1HG2 VAL 48 4.788 2.555 -1.289 326 HG22 VAL 48 2HG2 VAL 48 6.144 3.379 -2.096 327 HG23 VAL 48 3HG2 VAL 48 4.517 3.425 -2.819 328 H GLN 49 H GLN 49 5.121 1.218 0.070 329 HA GLN 49 HA GLN 49 3.470 -1.160 0.116 330 HB2 GLN 49 1HB GLN 49 5.426 -1.742 1.487 331 HB3 GLN 49 2HB GLN 49 5.265 -0.261 2.411 332 HG2 GLN 49 1HG GLN 49 2.776 -1.213 2.826 333 HG3 GLN 49 2HG GLN 49 3.557 -2.745 2.487 334 HE21 GLN 49 1HE2 GLN 49 2.404 -1.864 4.951 335 HE22 GLN 49 2HE2 GLN 49 3.641 -1.854 6.164 336 H GLY 50 H GLY 50 1.394 -0.779 0.919 337 HA2 GLY 50 1HA GLY 50 0.898 1.973 1.886 338 HA3 GLY 50 2HA GLY 50 -0.206 1.044 0.891 339 H SER 51 H SER 51 0.416 2.042 4.032 340 HA SER 51 HA SER 51 -0.868 -0.332 5.133 341 HB2 SER 51 1HB SER 51 -0.022 0.556 7.357 342 HB3 SER 51 2HB SER 51 1.231 0.051 6.240 343 HG SER 51 HG SER 51 1.142 2.363 7.443 344 H VAL 52 H VAL 52 -2.749 -0.066 6.477 345 HA VAL 52 HA VAL 52 -3.857 2.653 6.479 346 HB VAL 52 HB VAL 52 -4.890 0.184 5.279 347 HG11 VAL 52 1HG1 VAL 52 -6.263 0.217 7.329 348 HG12 VAL 52 2HG1 VAL 52 -6.760 1.887 6.963 349 HG13 VAL 52 3HG1 VAL 52 -7.231 0.559 5.875 350 HG21 VAL 52 1HG2 VAL 52 -6.230 2.785 4.828 351 HG22 VAL 52 2HG2 VAL 52 -4.488 2.752 4.462 352 HG23 VAL 52 3HG2 VAL 52 -5.588 1.602 3.663 353 H ALA 53 H ALA 53 -5.103 3.205 8.331 354 HA ALA 53 HA ALA 53 -5.132 1.178 10.446 355 HB1 ALA 53 1HB ALA 53 -3.188 2.452 10.972 356 HB2 ALA 53 2HB ALA 53 -3.986 3.987 10.553 357 HB3 ALA 53 3HB ALA 53 -4.477 3.099 12.015 358 H ASN 54 H ASN 54 -7.272 0.849 10.808 359 HA ASN 54 HA ASN 54 -8.978 3.199 10.633 360 HB2 ASN 54 1HB ASN 54 -10.740 1.107 10.787 361 HB3 ASN 54 2HB ASN 54 -10.102 1.705 9.268 362 HD21 ASN 54 1HD2 ASN 54 -9.672 0.070 8.003 363 HD22 ASN 54 2HD2 ASN 54 -8.830 -1.385 8.416 364 H ARG 55 H ARG 55 -11.135 2.553 12.185 365 HA ARG 55 HA ARG 55 -9.996 2.558 14.789 366 HB2 ARG 55 1HB ARG 55 -12.377 3.543 13.556 367 HB3 ARG 55 2HB ARG 55 -12.917 2.385 14.756 368 HG2 ARG 55 1HG ARG 55 -11.589 3.540 16.509 369 HG3 ARG 55 2HG ARG 55 -10.961 4.664 15.320 370 HD2 ARG 55 1HD ARG 55 -13.066 5.736 15.023 371 HD3 ARG 55 2HD ARG 55 -13.962 4.376 15.671 372 HE ARG 55 HE ARG 55 -12.293 5.255 17.765 373 HH11 ARG 55 2HH2 ARG 55 -14.901 6.592 15.817 374 HH12 ARG 55 1HH2 ARG 55 -15.448 7.669 17.059 375 HH21 ARG 55 2HH1 ARG 55 -13.014 6.676 19.403 376 HH22 ARG 55 1HH1 ARG 55 -14.367 7.717 19.112 377 H THR 56 H THR 56 -10.451 0.082 12.741 378 HA THR 56 HA THR 56 -11.623 -1.708 14.766 379 HB THR 56 HB THR 56 -11.942 -3.178 12.641 380 HG1 THR 56 1HG THR 56 -11.676 -0.550 11.414 381 HG21 THR 56 1HG2 THR 56 -13.336 -0.510 13.084 382 HG22 THR 56 2HG2 THR 56 -13.763 -1.525 11.685 383 HG23 THR 56 3HG2 THR 56 -13.977 -2.151 13.338 384 H GLY 57 H GLY 57 -8.844 -1.071 12.618 385 HA2 GLY 57 1HA GLY 57 -7.045 -2.415 14.294 386 HA3 GLY 57 2HA GLY 57 -7.511 -3.513 13.010 387 H SER 58 H SER 58 -5.990 -3.532 11.416 388 HA SER 58 HA SER 58 -5.427 -1.157 10.034 389 HB2 SER 58 1HB SER 58 -2.817 -1.529 10.462 390 HB3 SER 58 2HB SER 58 -3.769 -0.484 11.498 391 HG SER 58 HG SER 58 -2.312 -2.282 12.467 392 H VAL 59 H VAL 59 -4.165 -1.612 8.043 393 HA VAL 59 HA VAL 59 -3.768 -4.481 7.580 394 HB VAL 59 HB VAL 59 -4.636 -3.983 5.233 395 HG11 VAL 59 1HG1 VAL 59 -5.963 -4.723 7.654 396 HG12 VAL 59 2HG1 VAL 59 -7.090 -3.752 6.677 397 HG13 VAL 59 3HG1 VAL 59 -6.339 -5.209 5.984 398 HG21 VAL 59 1HG2 VAL 59 -4.765 -1.651 5.092 399 HG22 VAL 59 2HG2 VAL 59 -6.460 -2.147 5.314 400 HG23 VAL 59 3HG2 VAL 59 -5.535 -1.497 6.689 401 H GLU 60 H GLU 60 -2.717 -4.445 5.060 402 HA GLU 60 HA GLU 60 -0.877 -2.316 4.764 403 HB2 GLU 60 1HB GLU 60 0.104 -4.998 5.811 404 HB3 GLU 60 2HB GLU 60 1.162 -3.897 4.951 405 HG2 GLU 60 1HG GLU 60 0.297 -2.096 6.677 406 HG3 GLU 60 2HG GLU 60 -0.224 -3.479 7.619 407 H ALA 61 H ALA 61 0.592 -2.723 2.810 408 HA ALA 61 HA ALA 61 0.121 -4.950 1.157 409 HB1 ALA 61 1HB ALA 61 -1.052 -3.439 -0.654 410 HB2 ALA 61 2HB ALA 61 -2.026 -4.213 0.620 411 HB3 ALA 61 3HB ALA 61 -1.583 -2.494 0.758 412 H GLN 62 H GLN 62 1.179 -4.582 -1.050 413 HA GLN 62 HA GLN 62 2.757 -2.256 -1.320 414 HB2 GLN 62 1HB GLN 62 4.970 -3.605 -1.281 415 HB3 GLN 62 2HB GLN 62 4.270 -3.151 0.260 416 HG2 GLN 62 1HG GLN 62 4.432 -5.360 0.799 417 HG3 GLN 62 2HG GLN 62 3.020 -5.582 -0.215 418 HE21 GLN 62 1HE2 GLN 62 3.277 -7.332 -1.370 419 HE22 GLN 62 2HE2 GLN 62 4.677 -7.793 -2.280 420 H THR 63 H THR 63 4.464 -2.718 -3.245 421 HA THR 63 HA THR 63 2.899 -4.137 -5.272 422 HB THR 63 HB THR 63 4.210 -2.728 -6.834 423 HG1 THR 63 1HG THR 63 6.214 -2.698 -5.675 424 HG21 THR 63 1HG2 THR 63 3.882 -0.393 -5.568 425 HG22 THR 63 2HG2 THR 63 2.461 -1.320 -6.108 426 HG23 THR 63 3HG2 THR 63 2.979 -1.395 -4.406 427 H ALA 64 H ALA 64 4.696 -4.823 -7.162 428 HA ALA 64 HA ALA 64 6.060 -7.010 -5.825 429 HB1 ALA 64 1HB ALA 64 5.128 -6.368 -8.612 430 HB2 ALA 64 2HB ALA 64 6.442 -7.549 -8.396 431 HB3 ALA 64 3HB ALA 64 4.859 -7.829 -7.632 432 H LEU 65 H LEU 65 8.264 -7.191 -5.625 433 HA LEU 65 HA LEU 65 9.896 -5.066 -5.601 434 HB2 LEU 65 1HB LEU 65 10.427 -7.974 -6.122 435 HB3 LEU 65 2HB LEU 65 11.742 -6.817 -6.093 436 HG LEU 65 HG LEU 65 11.662 -7.773 -3.941 437 HD11 LEU 65 1HD1 LEU 65 11.877 -5.859 -2.820 438 HD12 LEU 65 2HD1 LEU 65 11.337 -5.050 -4.311 439 HD13 LEU 65 3HD1 LEU 65 10.160 -5.441 -3.035 440 HD21 LEU 65 1HD2 LEU 65 9.255 -8.619 -4.303 441 HD22 LEU 65 2HD2 LEU 65 9.777 -8.224 -2.648 442 HD23 LEU 65 3HD2 LEU 65 8.756 -7.082 -3.555 443 H LYS 66 H LYS 66 11.432 -4.065 -7.004 444 HA LYS 66 HA LYS 66 11.424 -4.836 -9.778 445 HB2 LYS 66 1HB LYS 66 9.917 -2.456 -8.783 446 HB3 LYS 66 2HB LYS 66 10.839 -2.274 -10.261 447 HG2 LYS 66 1HG LYS 66 9.490 -4.796 -10.451 448 HG3 LYS 66 2HG LYS 66 8.310 -3.645 -9.856 449 HD2 LYS 66 1HD LYS 66 9.702 -2.248 -11.890 450 HD3 LYS 66 2HD LYS 66 9.497 -3.867 -12.530 451 HE2 LYS 66 1HE LYS 66 7.009 -3.664 -11.767 452 HE3 LYS 66 2HE LYS 66 7.330 -1.952 -11.577 453 HZ1 LYS 66 1HZ LYS 66 7.614 -3.516 -14.046 454 HZ2 LYS 66 2HZ LYS 66 6.521 -2.340 -13.746 455 HZ3 LYS 66 3HZ LYS 66 8.102 -1.964 -13.899 456 H LYS 67 H LYS 67 12.962 -3.308 -11.035 457 HA LYS 67 HA LYS 67 15.306 -3.037 -9.397 458 HB2 LYS 67 1HB LYS 67 15.776 -3.984 -11.464 459 HB3 LYS 67 2HB LYS 67 14.687 -2.920 -12.332 460 HG2 LYS 67 1HG LYS 67 16.302 -1.341 -12.634 461 HG3 LYS 67 2HG LYS 67 16.779 -1.390 -10.949 462 HD2 LYS 67 1HD LYS 67 18.669 -2.108 -12.333 463 HD3 LYS 67 2HD LYS 67 18.105 -3.472 -11.389 464 HE2 LYS 67 1HE LYS 67 16.604 -4.002 -13.501 465 HE3 LYS 67 2HE LYS 67 17.707 -2.937 -14.350 466 HZ1 LYS 67 1HZ LYS 67 19.209 -4.528 -14.361 467 HZ2 LYS 67 2HZ LYS 67 19.137 -4.740 -12.743 468 HZ3 LYS 67 3HZ LYS 67 18.119 -5.562 -13.721 469 H ARG 68 H ARG 68 15.798 -1.252 -8.253 470 HA ARG 68 HA ARG 68 14.297 0.970 -8.182 471 HB2 ARG 68 1HB ARG 68 16.459 0.120 -6.805 472 HB3 ARG 68 2HB ARG 68 17.280 1.293 -7.816 473 HG2 ARG 68 1HG ARG 68 15.275 2.891 -7.072 474 HG3 ARG 68 2HG ARG 68 15.123 1.756 -5.746 475 HD2 ARG 68 1HD ARG 68 17.889 2.771 -6.384 476 HD3 ARG 68 2HD ARG 68 16.778 3.892 -5.625 477 HE ARG 68 HE ARG 68 16.817 2.598 -3.649 478 HH11 ARG 68 2HH2 ARG 68 18.419 0.876 -6.266 479 HH12 ARG 68 1HH2 ARG 68 19.090 -0.338 -5.228 480 HH21 ARG 68 2HH1 ARG 68 17.702 0.998 -2.279 481 HH22 ARG 68 1HH1 ARG 68 18.680 -0.268 -2.945 482 H GLN 69 H GLN 69 13.984 2.752 -9.502 483 HA GLN 69 HA GLN 69 16.100 3.370 -11.388 484 HB2 GLN 69 1HB GLN 69 13.175 2.892 -12.072 485 HB3 GLN 69 2HB GLN 69 14.239 3.804 -13.124 486 HG2 GLN 69 1HG GLN 69 15.011 1.030 -12.143 487 HG3 GLN 69 2HG GLN 69 13.982 1.235 -13.547 488 HE21 GLN 69 1HE2 GLN 69 16.150 -0.024 -14.100 489 HE22 GLN 69 2HE2 GLN 69 17.358 0.935 -14.888 490 H LEU 70 H LEU 70 15.367 5.591 -12.591 491 HA LEU 70 HA LEU 70 15.143 7.472 -10.486 492 HB2 LEU 70 1HB LEU 70 15.349 7.600 -13.473 493 HB3 LEU 70 2HB LEU 70 14.960 9.043 -12.559 494 HG LEU 70 HG LEU 70 17.389 8.726 -13.150 495 HD11 LEU 70 1HD1 LEU 70 16.911 8.898 -10.168 496 HD12 LEU 70 2HD1 LEU 70 18.193 9.675 -11.129 497 HD13 LEU 70 3HD1 LEU 70 16.502 10.204 -11.306 498 HD21 LEU 70 1HD2 LEU 70 17.386 6.646 -10.952 499 HD22 LEU 70 2HD2 LEU 70 17.392 6.255 -12.689 500 HD23 LEU 70 3HD2 LEU 70 18.748 7.162 -11.976 501 H HIS 71 H HIS 71 12.849 5.528 -12.027 502 HA HIS 71 HA HIS 71 10.724 6.800 -10.763 503 HB2 HIS 71 1HB HIS 71 10.792 8.558 -12.330 504 HB3 HIS 71 2HB HIS 71 11.096 7.478 -13.676 505 HD1 HIS 71 1HD HIS 71 9.038 8.333 -15.006 506 HD2 HIS 71 2HD HIS 71 8.092 6.689 -11.264 507 HE1 HIS 71 1HE HIS 71 6.504 8.029 -14.978 508 H THR 72 H THR 72 10.581 4.571 -10.094 509 HA THR 72 HA THR 72 10.166 2.541 -12.079 510 HB THR 72 HB THR 72 9.862 2.596 -9.029 511 HG1 THR 72 1HG THR 72 12.057 2.623 -9.318 512 HG21 THR 72 1HG2 THR 72 10.191 0.137 -9.207 513 HG22 THR 72 2HG2 THR 72 8.715 0.618 -10.079 514 HG23 THR 72 3HG2 THR 72 10.206 0.260 -10.983 515 H THR 73 H THR 73 8.232 1.225 -12.295 516 HA THR 73 HA THR 73 5.769 2.409 -11.331 517 HB THR 73 HB THR 73 4.924 2.490 -13.772 518 HG1 THR 73 1HG THR 73 6.755 2.584 -15.293 519 HG21 THR 73 1HG2 THR 73 5.601 4.711 -14.060 520 HG22 THR 73 2HG2 THR 73 6.025 4.511 -12.342 521 HG23 THR 73 3HG2 THR 73 7.283 4.361 -13.593 522 H TRP 74 H TRP 74 4.270 0.890 -10.888 523 HA TRP 74 HA TRP 74 4.965 -1.832 -11.717 524 HB2 TRP 74 1HB TRP 74 3.221 -0.811 -9.468 525 HB3 TRP 74 2HB TRP 74 3.434 -2.502 -9.877 526 HD1 TRP 74 HD TRP 74 5.667 -3.678 -8.993 527 HE1 TRP 74 1HE TRP 74 7.690 -3.009 -7.436 528 HE3 TRP 74 3HE TRP 74 4.644 1.302 -8.919 529 HZ2 TRP 74 2HZ TRP 74 8.614 -0.528 -6.372 530 HZ3 TRP 74 3HZ TRP 74 6.156 2.778 -7.597 531 HH2 TRP 74 HH TRP 74 8.084 1.938 -6.352 532 H GLU 75 H GLU 75 2.724 -3.208 -11.840 533 HA GLU 75 HA GLU 75 0.985 -1.630 -13.574 534 HB2 GLU 75 1HB GLU 75 2.219 -4.333 -13.905 535 HB3 GLU 75 2HB GLU 75 0.553 -4.189 -14.429 536 HG2 GLU 75 1HG GLU 75 1.068 -2.490 -16.027 537 HG3 GLU 75 2HG GLU 75 2.602 -2.112 -15.270 538 H GLU 76 H GLU 76 0.991 -2.361 -10.552 539 HA GLU 76 HA GLU 76 -1.755 -3.303 -10.585 540 HB2 GLU 76 1HB GLU 76 -1.200 -4.622 -8.451 541 HB3 GLU 76 2HB GLU 76 -0.619 -5.298 -9.960 542 HG2 GLU 76 1HG GLU 76 1.615 -4.157 -9.541 543 HG3 GLU 76 2HG GLU 76 1.016 -3.649 -7.975 544 H GLY 77 H GLY 77 -2.450 -3.136 -7.952 545 HA2 GLY 77 1HA GLY 77 -1.504 -0.497 -7.030 546 HA3 GLY 77 2HA GLY 77 -3.215 -0.814 -7.237 547 H LEU 78 H LEU 78 -2.617 -0.094 -4.743 548 HA LEU 78 HA LEU 78 -2.284 -2.601 -3.253 549 HB2 LEU 78 1HB LEU 78 -2.005 0.150 -2.085 550 HB3 LEU 78 2HB LEU 78 -1.408 -1.377 -1.468 551 HG LEU 78 HG LEU 78 -0.363 0.016 -3.949 552 HD11 LEU 78 1HD1 LEU 78 1.006 -0.210 -1.262 553 HD12 LEU 78 2HD1 LEU 78 1.509 0.740 -2.681 554 HD13 LEU 78 3HD1 LEU 78 0.056 1.208 -1.766 555 HD21 LEU 78 1HD2 LEU 78 -0.203 -2.654 -3.353 556 HD22 LEU 78 2HD2 LEU 78 0.944 -1.750 -4.370 557 HD23 LEU 78 3HD2 LEU 78 1.304 -2.022 -2.648 558 H VAL 79 H VAL 79 -4.181 -3.494 -2.659 559 HA VAL 79 HA VAL 79 -6.393 -1.644 -2.103 560 HB VAL 79 HB VAL 79 -7.406 -2.908 -3.623 561 HG11 VAL 79 1HG1 VAL 79 -5.244 -3.809 -4.401 562 HG12 VAL 79 2HG1 VAL 79 -5.363 -5.116 -3.198 563 HG13 VAL 79 3HG1 VAL 79 -6.550 -5.012 -4.521 564 HG21 VAL 79 1HG2 VAL 79 -8.433 -4.980 -2.825 565 HG22 VAL 79 2HG2 VAL 79 -7.253 -5.071 -1.496 566 HG23 VAL 79 3HG2 VAL 79 -8.437 -3.743 -1.545 567 H LEU 80 H LEU 80 -7.075 -1.449 -0.029 568 HA LEU 80 HA LEU 80 -6.369 -3.631 1.800 569 HB2 LEU 80 1HB LEU 80 -6.248 -0.714 2.540 570 HB3 LEU 80 2HB LEU 80 -5.720 -2.092 3.485 571 HG LEU 80 HG LEU 80 -4.358 -1.905 0.894 572 HD11 LEU 80 1HD1 LEU 80 -3.499 0.159 0.913 573 HD12 LEU 80 2HD1 LEU 80 -4.859 0.563 1.988 574 HD13 LEU 80 3HD1 LEU 80 -3.270 0.154 2.679 575 HD21 LEU 80 1HD2 LEU 80 -2.958 -3.152 2.076 576 HD22 LEU 80 2HD2 LEU 80 -2.567 -1.734 3.078 577 HD23 LEU 80 3HD2 LEU 80 -3.879 -2.833 3.565 578 HA PRO 81 HA PRO 81 -10.545 -3.381 2.866 579 HB2 PRO 81 1HB PRO 81 -10.538 -4.667 5.278 580 HB3 PRO 81 2HB PRO 81 -10.519 -5.511 3.742 581 HG2 PRO 81 1HG PRO 81 -8.307 -5.103 5.660 582 HG3 PRO 81 2HG PRO 81 -8.432 -6.272 4.361 583 HD2 PRO 81 1HD PRO 81 -6.887 -3.855 4.352 584 HD3 PRO 81 2HD PRO 81 -7.104 -4.965 3.014 585 H LEU 82 H LEU 82 -11.851 -1.765 3.444 586 HA LEU 82 HA LEU 82 -11.453 -0.609 6.033 587 HB2 LEU 82 1HB LEU 82 -9.723 0.588 4.915 588 HB3 LEU 82 2HB LEU 82 -10.754 0.939 3.542 589 HG LEU 82 HG LEU 82 -10.243 2.768 5.345 590 HD11 LEU 82 1HD1 LEU 82 -12.348 3.883 4.823 591 HD12 LEU 82 2HD1 LEU 82 -11.687 3.065 3.387 592 HD13 LEU 82 3HD1 LEU 82 -13.047 2.340 4.277 593 HD21 LEU 82 1HD2 LEU 82 -12.765 1.839 6.638 594 HD22 LEU 82 2HD2 LEU 82 -11.240 1.053 7.109 595 HD23 LEU 82 3HD2 LEU 82 -11.426 2.813 7.292 596 H ALA 83 H ALA 83 -13.410 0.017 6.826 597 HA ALA 83 HA ALA 83 -15.667 -0.269 5.059 598 HB1 ALA 83 1HB ALA 83 -15.939 0.668 7.889 599 HB2 ALA 83 2HB ALA 83 -16.876 -0.553 6.994 600 HB3 ALA 83 3HB ALA 83 -15.261 -0.956 7.626 601 H GLU 84 H GLU 84 -17.262 1.387 4.667 602 HA GLU 84 HA GLU 84 -16.097 3.868 4.156 603 HB2 GLU 84 1HB GLU 84 -18.096 2.691 2.988 604 HB3 GLU 84 2HB GLU 84 -19.087 3.338 4.282 605 HG2 GLU 84 1HG GLU 84 -17.648 5.584 3.529 606 HG3 GLU 84 2HG GLU 84 -17.801 4.748 1.997 607 H GLU 85 H GLU 85 -17.662 2.493 6.968 608 HA GLU 85 HA GLU 85 -18.410 5.023 8.046 609 HB2 GLU 85 1HB GLU 85 -19.109 3.728 10.012 610 HB3 GLU 85 2HB GLU 85 -19.692 2.958 8.550 611 HG2 GLU 85 1HG GLU 85 -18.144 1.183 8.696 612 HG3 GLU 85 2HG GLU 85 -17.011 2.108 9.661 613 H GLU 86 H GLU 86 -15.463 3.525 7.546 614 HA GLU 86 HA GLU 86 -14.372 4.727 9.971 615 HB2 GLU 86 1HB GLU 86 -13.245 2.419 8.324 616 HB3 GLU 86 2HB GLU 86 -12.477 3.116 9.737 617 HG2 GLU 86 1HG GLU 86 -15.098 2.562 10.610 618 HG3 GLU 86 2HG GLU 86 -14.708 1.198 9.581 619 H LEU 87 H LEU 87 -14.741 5.049 6.622 620 HA LEU 87 HA LEU 87 -12.362 5.706 5.558 621 HB2 LEU 87 1HB LEU 87 -15.133 6.744 5.232 622 HB3 LEU 87 2HB LEU 87 -13.835 7.638 4.466 623 HG LEU 87 HG LEU 87 -14.291 4.676 4.040 624 HD11 LEU 87 1HD1 LEU 87 -15.875 5.057 2.522 625 HD12 LEU 87 2HD1 LEU 87 -16.006 6.691 3.217 626 HD13 LEU 87 3HD1 LEU 87 -14.971 6.409 1.796 627 HD21 LEU 87 1HD2 LEU 87 -12.006 5.502 3.595 628 HD22 LEU 87 2HD2 LEU 87 -12.832 4.929 2.126 629 HD23 LEU 87 3HD2 LEU 87 -12.676 6.675 2.435 630 HA PRO 88 HA PRO 88 -12.483 9.903 7.729 631 HB2 PRO 88 1HB PRO 88 -14.310 10.373 9.706 632 HB3 PRO 88 2HB PRO 88 -14.550 10.869 8.043 633 HG2 PRO 88 1HG PRO 88 -15.798 8.623 9.505 634 HG3 PRO 88 2HG PRO 88 -16.319 9.389 8.017 635 HD2 PRO 88 1HD PRO 88 -14.987 6.862 8.271 636 HD3 PRO 88 2HD PRO 88 -15.404 7.682 6.779 637 H THR 89 H THR 89 -13.041 7.021 9.498 638 HA THR 89 HA THR 89 -11.170 7.976 11.555 639 HB THR 89 HB THR 89 -12.282 6.493 13.029 640 HG1 THR 89 1HG THR 89 -12.042 4.615 11.650 641 HG21 THR 89 1HG2 THR 89 -14.487 7.157 12.927 642 HG22 THR 89 2HG2 THR 89 -13.961 8.137 11.538 643 HG23 THR 89 3HG2 THR 89 -14.684 6.532 11.272 644 H ALA 90 H ALA 90 -10.406 7.191 8.785 645 HA ALA 90 HA ALA 90 -8.476 5.171 9.609 646 HB1 ALA 90 1HB ALA 90 -10.508 4.082 8.483 647 HB2 ALA 90 2HB ALA 90 -10.003 4.921 6.997 648 HB3 ALA 90 3HB ALA 90 -8.919 3.733 7.761 649 H THR 91 H THR 91 -6.513 5.235 8.329 650 HA THR 91 HA THR 91 -6.335 7.378 6.365 651 HB THR 91 HB THR 91 -4.387 7.282 8.706 652 HG1 THR 91 1HG THR 91 -5.869 8.772 9.711 653 HG21 THR 91 1HG2 THR 91 -3.691 8.728 6.851 654 HG22 THR 91 2HG2 THR 91 -5.326 9.420 6.724 655 HG23 THR 91 3HG2 THR 91 -4.318 9.773 8.148 656 H LEU 92 H LEU 92 -4.716 7.092 4.834 657 HA LEU 92 HA LEU 92 -3.522 4.425 4.942 658 HB2 LEU 92 1HB LEU 92 -4.825 4.639 3.026 659 HB3 LEU 92 2HB LEU 92 -4.311 6.288 2.729 660 HG LEU 92 HG LEU 92 -3.418 4.608 1.115 661 HD11 LEU 92 1HD1 LEU 92 -2.289 6.857 1.917 662 HD12 LEU 92 2HD1 LEU 92 -1.037 5.745 2.522 663 HD13 LEU 92 3HD1 LEU 92 -1.463 5.751 0.793 664 HD21 LEU 92 1HD2 LEU 92 -2.397 2.738 1.740 665 HD22 LEU 92 2HD2 LEU 92 -1.260 3.630 2.779 666 HD23 LEU 92 3HD2 LEU 92 -2.843 3.128 3.419 667 H THR 93 H THR 93 -1.340 4.128 5.095 668 HA THR 93 HA THR 93 0.305 6.570 4.952 669 HB THR 93 HB THR 93 0.378 4.188 6.870 670 HG1 THR 93 1HG THR 93 0.027 6.026 8.327 671 HG21 THR 93 1HG2 THR 93 2.176 6.092 7.800 672 HG22 THR 93 2HG2 THR 93 2.646 4.588 6.973 673 HG23 THR 93 3HG2 THR 93 2.504 6.104 6.051 674 H LEU 94 H LEU 94 1.121 6.454 2.909 675 HA LEU 94 HA LEU 94 1.954 3.941 1.834 676 HB2 LEU 94 1HB LEU 94 1.487 6.639 0.918 677 HB3 LEU 94 2HB LEU 94 3.025 6.051 0.319 678 HG LEU 94 HG LEU 94 2.038 4.280 -0.872 679 HD11 LEU 94 1HD1 LEU 94 -0.719 4.303 -0.429 680 HD12 LEU 94 2HD1 LEU 94 0.451 3.074 0.109 681 HD13 LEU 94 3HD1 LEU 94 0.006 4.414 1.193 682 HD21 LEU 94 1HD2 LEU 94 -0.201 5.731 -1.724 683 HD22 LEU 94 2HD2 LEU 94 0.972 6.953 -1.177 684 HD23 LEU 94 3HD2 LEU 94 1.439 5.761 -2.414 685 H THR 95 H THR 95 3.873 2.937 2.113 686 HA THR 95 HA THR 95 6.137 4.603 2.983 687 HB THR 95 HB THR 95 6.295 1.943 4.102 688 HG1 THR 95 1HG THR 95 4.079 1.703 4.245 689 HG21 THR 95 1HG2 THR 95 6.050 3.198 6.277 690 HG22 THR 95 2HG2 THR 95 7.262 3.943 5.207 691 HG23 THR 95 3HG2 THR 95 5.641 4.663 5.353 692 H LEU 96 H LEU 96 7.764 4.542 1.579 693 HA LEU 96 HA LEU 96 7.797 2.352 -0.333 694 HB2 LEU 96 1HB LEU 96 7.892 4.785 -0.985 695 HB3 LEU 96 2HB LEU 96 9.491 4.848 -0.272 696 HG LEU 96 HG LEU 96 10.459 3.597 -1.945 697 HD11 LEU 96 1HD1 LEU 96 7.751 2.432 -2.650 698 HD12 LEU 96 2HD1 LEU 96 9.306 2.023 -3.414 699 HD13 LEU 96 3HD1 LEU 96 9.025 1.629 -1.701 700 HD21 LEU 96 1HD2 LEU 96 10.160 5.084 -3.561 701 HD22 LEU 96 2HD2 LEU 96 8.606 4.335 -3.998 702 HD23 LEU 96 3HD2 LEU 96 8.659 5.626 -2.774 703 H ARG 97 H ARG 97 8.659 0.544 0.639 704 HA ARG 97 HA ARG 97 11.098 0.951 2.140 705 HB2 ARG 97 1HB ARG 97 9.143 -1.375 1.891 706 HB3 ARG 97 2HB ARG 97 10.711 -1.591 2.642 707 HG2 ARG 97 1HG ARG 97 9.865 -0.777 4.579 708 HG3 ARG 97 2HG ARG 97 9.641 0.778 3.803 709 HD2 ARG 97 1HD ARG 97 7.379 0.242 3.144 710 HD3 ARG 97 2HD ARG 97 7.597 -1.461 3.492 711 HE ARG 97 HE ARG 97 6.880 0.592 5.395 712 HH11 ARG 97 2HH2 ARG 97 8.719 -2.394 5.102 713 HH12 ARG 97 1HH2 ARG 97 8.566 -2.802 6.779 714 HH21 ARG 97 2HH1 ARG 97 6.679 0.054 7.607 715 HH22 ARG 97 1HH1 ARG 97 7.398 -1.400 8.213 716 H THR 98 H THR 98 12.787 -0.962 1.817 717 HA THR 98 HA THR 98 12.942 -1.585 -1.059 718 HB THR 98 HB THR 98 15.507 -1.312 -0.571 719 HG1 THR 98 1HG THR 98 15.671 0.283 1.287 720 HG21 THR 98 1HG2 THR 98 13.508 0.615 -1.304 721 HG22 THR 98 2HG2 THR 98 14.584 1.408 -0.130 722 HG23 THR 98 3HG2 THR 98 15.257 0.701 -1.618 723 H CYS 99 H CYS 99 13.904 -3.575 -1.647 724 HA CYS 99 HA CYS 99 13.152 -5.729 -0.258 725 HB2 CYS 99 1HB CYS 99 13.930 -6.034 -2.473 726 HB3 CYS 99 2HB CYS 99 15.505 -5.355 -2.116 727 HG CYS 99 HG CYS 99 15.431 -8.058 -2.520 728 H ASP 100 H ASP 100 14.007 -7.058 1.415 729 HA ASP 100 HA ASP 100 15.394 -5.812 3.394 730 HB2 ASP 100 1HB ASP 100 15.553 -7.987 4.443 731 HB3 ASP 100 2HB ASP 100 14.037 -7.943 3.564 732 H ARG 101 H ARG 101 17.630 -5.649 3.924 733 HA ARG 101 HA ARG 101 19.444 -7.095 2.184 734 HB2 ARG 101 1HB ARG 101 19.153 -4.687 1.396 735 HB3 ARG 101 2HB ARG 101 19.782 -4.149 2.941 736 HG2 ARG 101 1HG ARG 101 21.859 -5.614 2.447 737 HG3 ARG 101 2HG ARG 101 21.242 -5.772 0.814 738 HD2 ARG 101 1HD ARG 101 21.121 -2.978 1.489 739 HD3 ARG 101 2HD ARG 101 22.700 -3.555 1.984 740 HE ARG 101 HE ARG 101 22.212 -4.626 -0.597 741 HH11 ARG 101 2HH2 ARG 101 22.647 -1.468 0.893 742 HH12 ARG 101 1HH2 ARG 101 23.302 -0.742 -0.537 743 HH21 ARG 101 2HH1 ARG 101 23.077 -3.669 -2.483 744 HH22 ARG 101 1HH1 ARG 101 23.548 -2.002 -2.470 745 H PHE 102 H PHE 102 19.263 -4.800 5.012 746 HA PHE 102 HA PHE 102 20.798 -6.727 6.559 747 HB2 PHE 102 1HB PHE 102 21.418 -3.734 6.184 748 HB3 PHE 102 2HB PHE 102 22.255 -4.773 7.320 749 HD1 PHE 102 2HD PHE 102 22.673 -7.207 5.696 750 HD2 PHE 102 1HD PHE 102 23.044 -3.112 4.645 751 HE1 PHE 102 2HE PHE 102 24.335 -7.814 3.916 752 HE2 PHE 102 1HE PHE 102 24.705 -3.720 2.864 753 HZ PHE 102 HZ PHE 102 25.331 -6.064 2.521 754 H SER 103 H SER 103 17.947 -5.761 6.451 755 HA SER 103 HA SER 103 16.359 -5.179 7.810 756 HB2 SER 103 1HB SER 103 18.401 -5.577 10.042 757 HB3 SER 103 2HB SER 103 16.662 -5.523 10.253 758 HG SER 103 HG SER 103 16.432 -7.519 9.386 759 H ARG 104 H ARG 104 16.995 -2.984 6.652 760 HA ARG 104 HA ARG 104 18.156 -1.082 8.429 761 HB2 ARG 104 1HB ARG 104 17.011 -0.963 5.610 762 HB3 ARG 104 2HB ARG 104 17.437 0.511 6.458 763 HG2 ARG 104 1HG ARG 104 19.551 0.189 5.682 764 HG3 ARG 104 2HG ARG 104 19.687 -1.084 6.880 765 HD2 ARG 104 1HD ARG 104 20.255 -2.233 4.908 766 HD3 ARG 104 2HD ARG 104 18.549 -2.609 5.049 767 HE ARG 104 HE ARG 104 18.104 -1.274 3.164 768 HH11 ARG 104 2HH2 ARG 104 21.378 -0.666 4.304 769 HH12 ARG 104 1HH2 ARG 104 21.822 0.273 2.918 770 HH21 ARG 104 2HH1 ARG 104 18.690 -0.036 1.336 771 HH22 ARG 104 1HH1 ARG 104 20.284 0.633 1.218 772 H HIS 105 H HIS 105 17.014 0.191 9.867 773 HA HIS 105 HA HIS 105 14.238 -0.163 10.125 774 HB2 HIS 105 1HB HIS 105 14.409 1.425 11.943 775 HB3 HIS 105 2HB HIS 105 15.724 0.269 12.019 776 HD1 HIS 105 1HD HIS 105 15.058 3.841 12.104 777 HD2 HIS 105 2HD HIS 105 18.258 1.413 10.893 778 HE1 HIS 105 1HE HIS 105 17.107 5.358 12.002 779 H SER 106 H SER 106 12.726 1.869 10.299 780 HA SER 106 HA SER 106 11.663 3.471 9.295 781 HB2 SER 106 1HB SER 106 14.215 4.426 7.955 782 HB3 SER 106 2HB SER 106 12.834 5.382 8.455 783 HG SER 106 HG SER 106 13.391 5.019 10.666 784 H VAL 107 H VAL 107 11.464 4.612 6.853 785 HA VAL 107 HA VAL 107 11.651 2.340 4.996 786 HB VAL 107 HB VAL 107 9.615 3.099 3.987 787 HG11 VAL 107 1HG1 VAL 107 8.774 3.278 6.832 788 HG12 VAL 107 2HG1 VAL 107 8.222 2.192 5.534 789 HG13 VAL 107 3HG1 VAL 107 9.751 1.859 6.384 790 HG21 VAL 107 1HG2 VAL 107 8.840 5.188 4.124 791 HG22 VAL 107 2HG2 VAL 107 8.761 5.101 5.900 792 HG23 VAL 107 3HG2 VAL 107 10.272 5.597 5.100 793 H ALA 108 H ALA 108 11.461 3.270 2.592 794 HA ALA 108 HA ALA 108 13.728 5.007 2.331 795 HB1 ALA 108 1HB ALA 108 13.767 4.271 0.130 796 HB2 ALA 108 2HB ALA 108 12.938 2.908 0.918 797 HB3 ALA 108 3HB ALA 108 11.996 4.131 0.032 798 H GLY 109 H GLY 109 10.410 5.465 2.877 799 HA2 GLY 109 1HA GLY 109 10.404 8.184 2.796 800 HA3 GLY 109 2HA GLY 109 10.004 7.730 1.151 801 H GLU 110 H GLU 110 8.427 8.932 3.558 802 HA GLU 110 HA GLU 110 6.332 6.909 3.611 803 HB2 GLU 110 1HB GLU 110 6.989 9.203 5.499 804 HB3 GLU 110 2HB GLU 110 5.466 8.341 5.576 805 HG2 GLU 110 1HG GLU 110 6.678 7.046 7.067 806 HG3 GLU 110 2HG GLU 110 7.068 6.186 5.591 807 H LEU 111 H LEU 111 4.083 7.608 3.294 808 HA LEU 111 HA LEU 111 3.714 10.280 2.244 809 HB2 LEU 111 1HB LEU 111 4.481 8.548 0.417 810 HB3 LEU 111 2HB LEU 111 2.810 8.025 0.501 811 HG LEU 111 HG LEU 111 2.544 9.546 -1.139 812 HD11 LEU 111 1HD1 LEU 111 1.632 11.592 -0.391 813 HD12 LEU 111 2HD1 LEU 111 1.349 10.423 0.921 814 HD13 LEU 111 3HD1 LEU 111 2.662 11.616 1.060 815 HD21 LEU 111 1HD2 LEU 111 4.008 11.625 -1.348 816 HD22 LEU 111 2HD2 LEU 111 5.003 10.919 -0.052 817 HD23 LEU 111 3HD2 LEU 111 4.795 10.047 -1.590 818 H ARG 112 H ARG 112 2.177 10.879 3.708 819 HA ARG 112 HA ARG 112 0.224 8.945 4.488 820 HB2 ARG 112 1HB ARG 112 0.885 10.318 6.300 821 HB3 ARG 112 2HB ARG 112 0.941 11.767 5.317 822 HG2 ARG 112 1HG ARG 112 -1.511 11.850 5.189 823 HG3 ARG 112 2HG ARG 112 -1.649 10.298 5.990 824 HD2 ARG 112 1HD ARG 112 -1.587 11.304 8.024 825 HD3 ARG 112 2HD ARG 112 -0.024 12.008 7.659 826 HE ARG 112 HE ARG 112 -1.744 13.647 6.264 827 HH11 ARG 112 2HH2 ARG 112 -1.675 12.535 9.602 828 HH12 ARG 112 1HH2 ARG 112 -2.449 13.953 10.225 829 HH21 ARG 112 2HH1 ARG 112 -2.766 15.519 7.086 830 HH22 ARG 112 1HH1 ARG 112 -3.074 15.662 8.784 831 H LEU 113 H LEU 113 -2.097 9.190 4.148 832 HA LEU 113 HA LEU 113 -2.967 11.331 2.415 833 HB2 LEU 113 1HB LEU 113 -3.333 8.474 1.523 834 HB3 LEU 113 2HB LEU 113 -3.809 9.933 0.676 835 HG LEU 113 HG LEU 113 -0.923 9.249 1.279 836 HD11 LEU 113 1HD1 LEU 113 -0.714 8.379 -0.967 837 HD12 LEU 113 2HD1 LEU 113 -1.964 7.468 -0.085 838 HD13 LEU 113 3HD1 LEU 113 -2.437 8.693 -1.287 839 HD21 LEU 113 1HD2 LEU 113 -1.821 11.653 0.674 840 HD22 LEU 113 2HD2 LEU 113 -0.314 11.024 -0.034 841 HD23 LEU 113 3HD2 LEU 113 -1.822 10.993 -0.979 842 H GLY 114 H GLY 114 -5.475 10.928 1.968 843 HA2 GLY 114 1HA GLY 114 -6.630 9.849 4.471 844 HA3 GLY 114 2HA GLY 114 -7.139 11.365 3.754 845 H LEU 115 H LEU 115 -8.821 9.017 4.277 846 HA LEU 115 HA LEU 115 -9.431 8.217 1.518 847 HB2 LEU 115 1HB LEU 115 -10.455 6.763 3.921 848 HB3 LEU 115 2HB LEU 115 -10.209 6.185 2.285 849 HG LEU 115 HG LEU 115 -8.529 5.111 3.445 850 HD11 LEU 115 1HD1 LEU 115 -7.770 6.977 1.592 851 HD12 LEU 115 2HD1 LEU 115 -6.705 7.366 2.965 852 HD13 LEU 115 3HD1 LEU 115 -6.715 5.721 2.284 853 HD21 LEU 115 1HD2 LEU 115 -7.336 5.881 5.310 854 HD22 LEU 115 2HD2 LEU 115 -7.708 7.586 4.962 855 HD23 LEU 115 3HD2 LEU 115 -8.989 6.497 5.547 856 H ASP 116 H ASP 116 -10.510 9.856 4.444 857 HA ASP 116 HA ASP 116 -13.188 9.755 4.207 858 HB2 ASP 116 1HB ASP 116 -12.968 12.313 4.976 859 HB3 ASP 116 2HB ASP 116 -12.530 10.997 6.047 860 H GLY 117 H GLY 117 -10.798 11.343 2.137 861 HA2 GLY 117 1HA GLY 117 -11.277 11.941 -0.076 862 HA3 GLY 117 2HA GLY 117 -12.949 12.245 0.353 863 H THR 118 H THR 118 -9.919 13.357 2.003 864 HA THR 118 HA THR 118 -10.760 16.117 1.397 865 HB THR 118 HB THR 118 -9.744 14.797 3.951 866 HG1 THR 118 1HG THR 118 -11.747 15.706 4.621 867 HG21 THR 118 1HG2 THR 118 -9.405 16.976 4.937 868 HG22 THR 118 2HG2 THR 118 -8.472 16.998 3.422 869 HG23 THR 118 3HG2 THR 118 -10.058 17.802 3.503 870 H SER 119 H SER 119 -7.794 14.873 2.990 871 HA SER 119 HA SER 119 -6.064 16.516 1.875 872 HB2 SER 119 1HB SER 119 -5.748 13.551 2.470 873 HB3 SER 119 2HB SER 119 -4.385 14.536 1.978 874 HG SER 119 HG SER 119 -6.002 15.544 4.092 875 H VAL 120 H VAL 120 -7.130 13.373 0.395 876 HA VAL 120 HA VAL 120 -6.488 14.513 -2.214 877 HB VAL 120 HB VAL 120 -4.539 13.303 -1.868 878 HG11 VAL 120 1HG1 VAL 120 -4.329 11.185 -0.775 879 HG12 VAL 120 2HG1 VAL 120 -5.358 12.210 0.254 880 HG13 VAL 120 3HG1 VAL 120 -6.093 10.946 -0.761 881 HG21 VAL 120 1HG2 VAL 120 -4.750 11.241 -3.283 882 HG22 VAL 120 2HG2 VAL 120 -6.516 11.464 -3.252 883 HG23 VAL 120 3HG2 VAL 120 -5.476 12.700 -3.999 884 HA PRO 121 HA PRO 121 -10.399 12.802 -2.969 885 HB2 PRO 121 1HB PRO 121 -10.557 13.259 -5.659 886 HB3 PRO 121 2HB PRO 121 -10.917 14.482 -4.457 887 HG2 PRO 121 1HG PRO 121 -8.524 14.218 -6.172 888 HG3 PRO 121 2HG PRO 121 -9.095 15.622 -5.293 889 HD2 PRO 121 1HD PRO 121 -6.922 13.903 -4.553 890 HD3 PRO 121 2HD PRO 121 -7.568 15.237 -3.619 891 H LEU 122 H LEU 122 -11.597 11.201 -4.430 892 HA LEU 122 HA LEU 122 -9.754 8.953 -4.662 893 HB2 LEU 122 1HB LEU 122 -12.748 9.189 -4.445 894 HB3 LEU 122 2HB LEU 122 -11.962 7.692 -4.906 895 HG LEU 122 HG LEU 122 -11.361 9.161 -2.327 896 HD11 LEU 122 1HD1 LEU 122 -12.751 6.928 -1.581 897 HD12 LEU 122 2HD1 LEU 122 -13.430 8.569 -1.702 898 HD13 LEU 122 3HD1 LEU 122 -13.623 7.425 -3.051 899 HD21 LEU 122 1HD2 LEU 122 -9.572 7.780 -2.520 900 HD22 LEU 122 2HD2 LEU 122 -10.721 6.613 -1.822 901 HD23 LEU 122 3HD2 LEU 122 -10.424 6.630 -3.577 902 H GLY 123 H GLY 123 -9.862 7.543 -6.580 903 HA2 GLY 123 1HA GLY 123 -9.773 7.218 -8.801 904 HA3 GLY 123 2HA GLY 123 -11.224 8.195 -8.923 905 H ALA 124 H ALA 124 -8.553 9.797 -7.360 906 HA ALA 124 HA ALA 124 -7.862 11.109 -9.899 907 HB1 ALA 124 1HB ALA 124 -9.014 12.199 -7.431 908 HB2 ALA 124 2HB ALA 124 -7.497 13.008 -7.889 909 HB3 ALA 124 3HB ALA 124 -8.854 12.945 -9.039 910 H ALA 125 H ALA 125 -5.885 10.167 -10.307 911 HA ALA 125 HA ALA 125 -4.099 9.424 -8.260 912 HB1 ALA 125 1HB ALA 125 -3.142 10.019 -11.037 913 HB2 ALA 125 2HB ALA 125 -2.824 8.610 -9.998 914 HB3 ALA 125 3HB ALA 125 -4.384 8.760 -10.840 915 H GLN 126 H GLN 126 -2.243 10.451 -7.442 916 HA GLN 126 HA GLN 126 -1.783 13.147 -8.403 917 HB2 GLN 126 1HB GLN 126 -1.870 12.578 -5.423 918 HB3 GLN 126 2HB GLN 126 -1.864 14.134 -6.229 919 HG2 GLN 126 1HG GLN 126 -4.132 12.122 -6.564 920 HG3 GLN 126 2HG GLN 126 -4.133 13.343 -5.307 921 HE21 GLN 126 1HE2 GLN 126 -6.069 14.105 -6.308 922 HE22 GLN 126 2HE2 GLN 126 -6.011 15.168 -7.674 923 H TRP 127 H TRP 127 0.400 13.951 -7.936 924 HA TRP 127 HA TRP 127 2.255 11.724 -7.543 925 HB2 TRP 127 1HB TRP 127 2.314 14.284 -9.054 926 HB3 TRP 127 2HB TRP 127 3.827 13.728 -8.366 927 HD1 TRP 127 HD TRP 127 1.497 13.051 -11.262 928 HE1 TRP 127 1HE TRP 127 2.376 11.117 -12.828 929 HE3 TRP 127 3HE TRP 127 5.159 11.455 -8.116 930 HZ2 TRP 127 2HZ TRP 127 4.458 9.181 -12.580 931 HZ3 TRP 127 3HZ TRP 127 6.570 9.537 -8.854 932 HH2 TRP 127 HH TRP 127 6.266 8.409 -11.001 933 H GLY 128 H GLY 128 2.014 11.629 -5.208 934 HA2 GLY 128 1HA GLY 128 2.451 13.987 -3.621 935 HA3 GLY 128 2HA GLY 128 2.272 12.334 -3.065 936 H GLU 129 H GLU 129 4.197 13.985 -1.890 937 HA GLU 129 HA GLU 129 6.657 12.954 -3.074 938 HB2 GLU 129 1HB GLU 129 5.923 15.610 -2.227 939 HB3 GLU 129 2HB GLU 129 7.204 15.045 -1.173 940 HG2 GLU 129 1HG GLU 129 8.759 14.879 -2.903 941 HG3 GLU 129 2HG GLU 129 7.544 14.520 -4.114 942 H LEU 130 H LEU 130 7.932 11.596 -1.840 943 HA LEU 130 HA LEU 130 6.836 10.535 0.524 944 HB2 LEU 130 1HB LEU 130 9.557 10.247 -0.752 945 HB3 LEU 130 2HB LEU 130 9.014 9.318 0.632 946 HG LEU 130 HG LEU 130 7.695 9.299 -2.098 947 HD11 LEU 130 1HD1 LEU 130 8.937 6.815 -1.201 948 HD12 LEU 130 2HD1 LEU 130 9.063 7.669 -2.758 949 HD13 LEU 130 3HD1 LEU 130 10.110 8.140 -1.398 950 HD21 LEU 130 1HD2 LEU 130 6.869 7.036 -0.816 951 HD22 LEU 130 2HD2 LEU 130 6.926 8.204 0.525 952 HD23 LEU 130 3HD2 LEU 130 5.942 8.552 -0.917 953 H LYS 131 H LYS 131 7.127 11.038 2.655 954 HA LYS 131 HA LYS 131 8.741 13.408 3.169 955 HB2 LYS 131 1HB LYS 131 6.503 12.025 4.650 956 HB3 LYS 131 2HB LYS 131 7.512 13.226 5.431 957 HG2 LYS 131 1HG LYS 131 5.959 13.681 2.839 958 HG3 LYS 131 2HG LYS 131 5.428 14.206 4.424 959 HD2 LYS 131 1HD LYS 131 6.557 16.139 4.023 960 HD3 LYS 131 2HD LYS 131 8.026 15.224 4.298 961 HE2 LYS 131 1HE LYS 131 8.609 15.291 2.092 962 HE3 LYS 131 2HE LYS 131 7.005 14.819 1.567 963 HZ1 LYS 131 1HZ LYS 131 8.129 17.412 1.751 964 HZ2 LYS 131 2HZ LYS 131 6.825 16.906 0.909 965 HZ3 LYS 131 3HZ LYS 131 6.668 17.335 2.476 966 H THR 132 H THR 132 10.558 11.641 2.595 967 HA THR 132 HA THR 132 11.315 9.614 4.168 968 HB THR 132 HB THR 132 13.644 10.288 3.559 969 HG1 THR 132 1HG THR 132 12.222 12.721 2.738 970 HG21 THR 132 1HG2 THR 132 13.287 9.932 1.323 971 HG22 THR 132 2HG2 THR 132 11.549 9.922 1.707 972 HG23 THR 132 3HG2 THR 132 12.334 11.428 1.174 973 H SER 133 H SER 133 12.378 13.004 4.923 974 HA SER 133 HA SER 133 12.608 12.091 7.673 975 HB2 SER 133 1HB SER 133 14.380 13.519 6.051 976 HB3 SER 133 2HB SER 133 13.666 14.775 7.043 977 HG SER 133 HG SER 133 14.958 14.129 8.611 978 H GLY 134 H GLY 134 10.411 12.310 8.344 979 HA2 GLY 134 1HA GLY 134 9.616 14.964 9.056 980 HA3 GLY 134 2HA GLY 134 8.650 14.324 7.741 981 HA PRO 135 HA PRO 135 7.177 12.656 11.802 982 HB2 PRO 135 1HB PRO 135 4.993 14.235 12.258 983 HB3 PRO 135 2HB PRO 135 6.553 14.519 13.004 984 HG2 PRO 135 1HG PRO 135 5.266 15.986 10.784 985 HG3 PRO 135 2HG PRO 135 6.592 16.492 11.811 986 HD2 PRO 135 1HD PRO 135 6.778 15.553 9.108 987 HD3 PRO 135 2HD PRO 135 8.111 15.949 10.173 988 H SER 136 H SER 136 7.034 11.319 9.583 989 HA SER 136 HA SER 136 4.183 10.737 9.470 990 HB2 SER 136 1HB SER 136 6.103 11.265 7.217 991 HB3 SER 136 2HB SER 136 4.896 10.020 6.968 992 HG SER 136 HG SER 136 3.486 11.572 6.589 993 H SER 137 H SER 137 3.947 8.720 10.365 994 HA SER 137 HA SER 137 5.524 6.600 9.306 995 HB2 SER 137 1HB SER 137 6.619 7.805 11.513 996 HB3 SER 137 2HB SER 137 5.596 6.614 12.291 997 HG SER 137 HG SER 137 6.641 5.046 10.676 998 H GLY 138 H GLY 138 3.977 5.069 8.893 999 HA2 GLY 138 1HA GLY 138 1.431 5.151 10.204 1000 HA3 GLY 138 2HA GLY 138 1.978 4.009 8.992 Start of MODEL 20 1 H1 GLY 1 H GLY 1 14.187 19.224 22.577 2 HA2 GLY 1 1HA GLY 1 14.436 16.395 21.746 3 HA3 GLY 1 2HA GLY 1 13.953 17.673 20.649 4 H SER 2 H SER 2 15.826 17.153 19.300 5 HA SER 2 HA SER 2 17.965 18.828 19.807 6 HB2 SER 2 1HB SER 2 18.310 15.977 20.680 7 HB3 SER 2 2HB SER 2 19.651 16.705 19.820 8 HG SER 2 HG SER 2 18.570 17.345 22.372 9 H SER 3 H SER 3 17.340 15.529 18.388 10 HA SER 3 HA SER 3 18.827 15.659 16.195 11 HB2 SER 3 1HB SER 3 16.608 14.137 17.078 12 HB3 SER 3 2HB SER 3 16.166 14.676 15.471 13 HG SER 3 HG SER 3 18.322 12.992 16.292 14 H GLY 4 H GLY 4 18.314 16.171 13.861 15 HA2 GLY 4 1HA GLY 4 16.150 17.868 13.180 16 HA3 GLY 4 2HA GLY 4 17.584 18.824 13.499 17 H SER 5 H SER 5 16.804 19.089 10.986 18 HA SER 5 HA SER 5 18.763 17.513 9.559 19 HB2 SER 5 1HB SER 5 17.260 16.915 7.769 20 HB3 SER 5 2HB SER 5 16.507 16.407 9.268 21 HG SER 5 HG SER 5 14.849 17.677 8.830 22 H SER 6 H SER 6 18.984 18.501 7.194 23 HA SER 6 HA SER 6 18.395 21.343 7.302 24 HB2 SER 6 1HB SER 6 21.093 20.029 7.057 25 HB3 SER 6 2HB SER 6 20.811 21.485 6.124 26 HG SER 6 HG SER 6 21.404 22.435 7.969 27 H GLY 7 H GLY 7 19.948 18.751 5.261 28 HA2 GLY 7 1HA GLY 7 19.176 17.961 3.240 29 HA3 GLY 7 2HA GLY 7 18.018 19.272 3.144 30 H SER 8 H SER 8 19.063 21.582 2.950 31 HA SER 8 HA SER 8 20.439 22.988 1.991 32 HB2 SER 8 1HB SER 8 22.263 21.182 2.764 33 HB3 SER 8 2HB SER 8 22.384 20.891 1.040 34 HG SER 8 HG SER 8 22.371 23.607 1.583 35 H TRP 9 H TRP 9 20.690 19.861 0.131 36 HA TRP 9 HA TRP 9 20.591 21.052 -2.383 37 HB2 TRP 9 1HB TRP 9 19.766 18.688 -3.041 38 HB3 TRP 9 2HB TRP 9 21.392 18.914 -2.427 39 HD1 TRP 9 HD TRP 9 17.933 18.031 -0.798 40 HE1 TRP 9 1HE TRP 9 18.240 16.168 1.046 41 HE3 TRP 9 3HE TRP 9 22.982 17.651 -1.273 42 HZ2 TRP 9 2HZ TRP 9 20.508 14.776 2.076 43 HZ3 TRP 9 3HZ TRP 9 24.166 16.016 0.190 44 HH2 TRP 9 HH TRP 9 23.011 14.607 1.820 45 H ASN 10 H ASN 10 18.741 20.908 -3.969 46 HA ASN 10 HA ASN 10 16.247 21.373 -2.535 47 HB2 ASN 10 1HB ASN 10 17.651 22.924 -4.534 48 HB3 ASN 10 2HB ASN 10 16.159 22.362 -5.261 49 HD21 ASN 10 1HD2 ASN 10 16.966 25.041 -4.493 50 HD22 ASN 10 2HD2 ASN 10 15.789 25.645 -3.375 51 H GLN 11 H GLN 11 15.440 19.188 -2.655 52 HA GLN 11 HA GLN 11 14.175 18.489 -5.005 53 HB2 GLN 11 1HB GLN 11 15.435 16.511 -5.729 54 HB3 GLN 11 2HB GLN 11 16.457 17.932 -5.815 55 HG2 GLN 11 1HG GLN 11 17.924 17.077 -4.303 56 HG3 GLN 11 2HG GLN 11 16.644 16.715 -3.162 57 HE21 GLN 11 1HE2 GLN 11 18.399 14.933 -2.992 58 HE22 GLN 11 2HE2 GLN 11 18.078 13.467 -3.857 59 H ALA 12 H ALA 12 12.809 16.584 -4.709 60 HA ALA 12 HA ALA 12 13.037 15.259 -2.130 61 HB1 ALA 12 1HB ALA 12 11.173 17.401 -2.702 62 HB2 ALA 12 2HB ALA 12 10.287 15.880 -2.436 63 HB3 ALA 12 3HB ALA 12 11.406 16.487 -1.192 64 HA PRO 13 HA PRO 13 11.661 11.954 -4.556 65 HB2 PRO 13 1HB PRO 13 10.689 10.241 -2.662 66 HB3 PRO 13 2HB PRO 13 12.397 10.412 -3.013 67 HG2 PRO 13 1HG PRO 13 10.868 11.436 -0.699 68 HG3 PRO 13 2HG PRO 13 12.600 11.223 -0.863 69 HD2 PRO 13 1HD PRO 13 11.152 13.694 -1.017 70 HD3 PRO 13 2HD PRO 13 12.867 13.465 -1.296 71 H LYS 14 H LYS 14 9.978 11.148 -5.771 72 HA LYS 14 HA LYS 14 7.387 12.189 -4.855 73 HB2 LYS 14 1HB LYS 14 8.812 12.479 -7.396 74 HB3 LYS 14 2HB LYS 14 7.193 11.845 -7.605 75 HG2 LYS 14 1HG LYS 14 6.604 13.789 -5.822 76 HG3 LYS 14 2HG LYS 14 8.064 14.499 -6.481 77 HD2 LYS 14 1HD LYS 14 5.915 13.440 -8.344 78 HD3 LYS 14 2HD LYS 14 5.744 15.027 -7.620 79 HE2 LYS 14 1HE LYS 14 8.300 14.233 -9.069 80 HE3 LYS 14 2HE LYS 14 6.919 14.855 -9.950 81 HZ1 LYS 14 1HZ LYS 14 7.192 16.888 -9.071 82 HZ2 LYS 14 2HZ LYS 14 7.739 16.356 -7.627 83 HZ3 LYS 14 3HZ LYS 14 8.745 16.406 -8.912 84 H LEU 15 H LEU 15 5.549 10.834 -5.103 85 HA LEU 15 HA LEU 15 6.122 8.109 -5.984 86 HB2 LEU 15 1HB LEU 15 6.480 7.946 -3.658 87 HB3 LEU 15 2HB LEU 15 5.083 8.936 -3.284 88 HG LEU 15 HG LEU 15 3.566 7.179 -3.960 89 HD11 LEU 15 1HD1 LEU 15 5.847 5.297 -4.505 90 HD12 LEU 15 2HD1 LEU 15 4.137 5.181 -4.987 91 HD13 LEU 15 3HD1 LEU 15 5.209 6.353 -5.789 92 HD21 LEU 15 1HD2 LEU 15 4.607 7.183 -1.660 93 HD22 LEU 15 2HD2 LEU 15 3.936 5.627 -2.205 94 HD23 LEU 15 3HD2 LEU 15 5.695 5.898 -2.237 95 H HIS 16 H HIS 16 4.645 7.511 -7.473 96 HA HIS 16 HA HIS 16 2.267 9.137 -7.702 97 HB2 HIS 16 1HB HIS 16 3.908 8.320 -9.592 98 HB3 HIS 16 2HB HIS 16 2.952 6.853 -9.529 99 HD1 HIS 16 1HD HIS 16 1.338 6.905 -11.427 100 HD2 HIS 16 2HD HIS 16 1.727 10.659 -9.596 101 HE1 HIS 16 1HE HIS 16 -0.303 8.455 -12.618 102 H TYR 17 H TYR 17 0.244 8.517 -7.071 103 HA TYR 17 HA TYR 17 -0.395 5.726 -6.818 104 HB2 TYR 17 1HB TYR 17 -0.987 6.122 -4.339 105 HB3 TYR 17 2HB TYR 17 0.735 6.142 -4.659 106 HD1 TYR 17 1HD TYR 17 2.018 8.228 -4.538 107 HD2 TYR 17 2HD TYR 17 -2.186 8.173 -3.746 108 HE1 TYR 17 1HE TYR 17 2.179 10.535 -3.482 109 HE2 TYR 17 2HE TYR 17 -2.011 10.480 -2.692 110 HH TYR 17 HH TYR 17 -0.650 12.349 -2.673 111 H CYS 18 H CYS 18 -2.636 5.365 -6.849 112 HA CYS 18 HA CYS 18 -4.232 7.820 -6.979 113 HB2 CYS 18 1HB CYS 18 -3.844 6.590 -9.189 114 HB3 CYS 18 2HB CYS 18 -4.834 5.297 -8.541 115 HG CYS 18 HG CYS 18 -6.090 7.057 -10.224 116 H LEU 19 H LEU 19 -5.504 7.903 -5.158 117 HA LEU 19 HA LEU 19 -6.163 5.414 -3.823 118 HB2 LEU 19 1HB LEU 19 -6.790 8.242 -2.981 119 HB3 LEU 19 2HB LEU 19 -6.854 6.795 -1.994 120 HG LEU 19 HG LEU 19 -4.872 7.656 -1.278 121 HD11 LEU 19 1HD1 LEU 19 -4.582 5.397 -2.576 122 HD12 LEU 19 2HD1 LEU 19 -3.598 6.390 -3.677 123 HD13 LEU 19 3HD1 LEU 19 -3.163 6.274 -1.955 124 HD21 LEU 19 1HD2 LEU 19 -5.060 9.598 -2.899 125 HD22 LEU 19 2HD2 LEU 19 -3.412 9.101 -2.445 126 HD23 LEU 19 3HD2 LEU 19 -4.080 8.630 -4.026 127 H ASP 20 H ASP 20 -8.017 4.336 -4.204 128 HA ASP 20 HA ASP 20 -10.336 5.916 -4.888 129 HB2 ASP 20 1HB ASP 20 -9.525 5.260 -7.077 130 HB3 ASP 20 2HB ASP 20 -9.191 3.626 -6.537 131 H TYR 21 H TYR 21 -11.753 5.275 -3.252 132 HA TYR 21 HA TYR 21 -11.510 2.588 -2.174 133 HB2 TYR 21 1HB TYR 21 -11.703 4.708 -0.771 134 HB3 TYR 21 2HB TYR 21 -13.236 5.064 -1.542 135 HD1 TYR 21 1HD TYR 21 -11.512 2.711 0.754 136 HD2 TYR 21 2HD TYR 21 -15.270 4.050 -0.792 137 HE1 TYR 21 1HE TYR 21 -12.731 1.392 2.554 138 HE2 TYR 21 2HE TYR 21 -16.476 2.727 1.013 139 HH TYR 21 HH TYR 21 -14.804 0.456 3.004 140 H ASP 22 H ASP 22 -13.092 0.992 -2.299 141 HA ASP 22 HA ASP 22 -15.310 1.673 -4.065 142 HB2 ASP 22 1HB ASP 22 -13.414 -0.107 -4.687 143 HB3 ASP 22 2HB ASP 22 -14.341 -1.161 -3.637 144 H CYS 23 H CYS 23 -16.673 2.247 -2.200 145 HA CYS 23 HA CYS 23 -16.961 1.004 0.138 146 HB2 CYS 23 1HB CYS 23 -18.272 2.921 -0.223 147 HB3 CYS 23 2HB CYS 23 -19.024 2.267 -1.664 148 HG CYS 23 HG CYS 23 -20.920 1.308 -0.630 149 H GLN 24 H GLN 24 -17.972 -0.145 -3.087 150 HA GLN 24 HA GLN 24 -19.694 -2.138 -2.274 151 HB2 GLN 24 1HB GLN 24 -17.858 -2.336 -4.689 152 HB3 GLN 24 2HB GLN 24 -19.463 -3.014 -4.505 153 HG2 GLN 24 1HG GLN 24 -19.654 -0.176 -4.023 154 HG3 GLN 24 2HG GLN 24 -18.726 -0.403 -5.492 155 HE21 GLN 24 1HE2 GLN 24 -21.692 0.160 -4.426 156 HE22 GLN 24 2HE2 GLN 24 -22.677 -0.620 -5.618 157 H LYS 25 H LYS 25 -16.121 -2.194 -2.875 158 HA LYS 25 HA LYS 25 -16.019 -4.924 -1.894 159 HB2 LYS 25 1HB LYS 25 -13.613 -3.328 -2.716 160 HB3 LYS 25 2HB LYS 25 -13.901 -5.051 -2.837 161 HG2 LYS 25 1HG LYS 25 -15.862 -4.346 -4.477 162 HG3 LYS 25 2HG LYS 25 -14.993 -2.828 -4.585 163 HD2 LYS 25 1HD LYS 25 -13.288 -3.739 -5.822 164 HD3 LYS 25 2HD LYS 25 -13.237 -5.203 -4.861 165 HE2 LYS 25 1HE LYS 25 -15.442 -5.888 -6.030 166 HE3 LYS 25 2HE LYS 25 -15.167 -4.551 -7.129 167 HZ1 LYS 25 1HZ LYS 25 -14.190 -6.963 -7.506 168 HZ2 LYS 25 2HZ LYS 25 -13.479 -5.618 -8.100 169 HZ3 LYS 25 3HZ LYS 25 -12.920 -6.297 -6.724 170 H ALA 26 H ALA 26 -15.958 -1.731 -0.676 171 HA ALA 26 HA ALA 26 -15.324 -0.826 1.246 172 HB1 ALA 26 1HB ALA 26 -16.577 -3.310 1.774 173 HB2 ALA 26 2HB ALA 26 -15.201 -3.205 2.897 174 HB3 ALA 26 3HB ALA 26 -16.428 -1.917 2.871 175 H GLU 27 H GLU 27 -13.199 -1.513 -0.556 176 HA GLU 27 HA GLU 27 -11.110 -1.822 1.429 177 HB2 GLU 27 1HB GLU 27 -11.280 -3.383 -1.184 178 HB3 GLU 27 2HB GLU 27 -9.820 -3.265 -0.224 179 HG2 GLU 27 1HG GLU 27 -11.943 -3.988 1.573 180 HG3 GLU 27 2HG GLU 27 -12.099 -5.014 0.161 181 H LEU 28 H LEU 28 -9.456 -0.340 1.163 182 HA LEU 28 HA LEU 28 -9.810 1.621 -0.884 183 HB2 LEU 28 1HB LEU 28 -9.104 1.980 1.532 184 HB3 LEU 28 2HB LEU 28 -7.526 1.376 1.067 185 HG LEU 28 HG LEU 28 -7.817 3.894 1.141 186 HD11 LEU 28 1HD1 LEU 28 -6.778 3.951 -1.395 187 HD12 LEU 28 2HD1 LEU 28 -5.873 3.554 0.086 188 HD13 LEU 28 3HD1 LEU 28 -6.535 2.250 -0.928 189 HD21 LEU 28 1HD2 LEU 28 -9.264 3.488 -1.487 190 HD22 LEU 28 2HD2 LEU 28 -10.063 3.899 0.049 191 HD23 LEU 28 3HD2 LEU 28 -8.892 5.027 -0.675 192 H PHE 29 H PHE 29 -8.397 2.115 -2.621 193 HA PHE 29 HA PHE 29 -6.485 -0.028 -3.226 194 HB2 PHE 29 1HB PHE 29 -8.488 1.514 -4.976 195 HB3 PHE 29 2HB PHE 29 -7.216 0.526 -5.665 196 HD1 PHE 29 2HD PHE 29 -7.221 -1.950 -5.225 197 HD2 PHE 29 1HD PHE 29 -10.496 0.540 -4.185 198 HE1 PHE 29 2HE PHE 29 -8.709 -3.967 -5.081 199 HE2 PHE 29 1HE PHE 29 -11.983 -1.477 -4.040 200 HZ PHE 29 HZ PHE 29 -11.072 -3.706 -4.490 201 H VAL 30 H VAL 30 -4.508 0.603 -4.148 202 HA VAL 30 HA VAL 30 -4.187 3.476 -4.621 203 HB VAL 30 HB VAL 30 -2.359 1.707 -2.983 204 HG11 VAL 30 1HG1 VAL 30 -1.799 4.071 -4.490 205 HG12 VAL 30 2HG1 VAL 30 -1.721 4.482 -2.760 206 HG13 VAL 30 3HG1 VAL 30 -0.721 3.159 -3.406 207 HG21 VAL 30 1HG2 VAL 30 -3.343 4.119 -1.689 208 HG22 VAL 30 2HG2 VAL 30 -4.679 3.059 -2.196 209 HG23 VAL 30 3HG2 VAL 30 -3.394 2.427 -1.138 210 H THR 31 H THR 31 -4.541 2.606 -6.872 211 HA THR 31 HA THR 31 -2.391 0.960 -7.902 212 HB THR 31 HB THR 31 -3.780 1.281 -10.037 213 HG1 THR 31 1HG THR 31 -4.671 3.362 -9.312 214 HG21 THR 31 1HG2 THR 31 -4.356 -0.664 -8.648 215 HG22 THR 31 2HG2 THR 31 -5.221 0.376 -7.491 216 HG23 THR 31 3HG2 THR 31 -5.869 0.139 -9.132 217 H ARG 32 H ARG 32 -1.830 1.922 -10.370 218 HA ARG 32 HA ARG 32 -0.465 3.249 -11.392 219 HB2 ARG 32 1HB ARG 32 -1.932 5.417 -9.808 220 HB3 ARG 32 2HB ARG 32 -0.834 5.765 -11.128 221 HG2 ARG 32 1HG ARG 32 -2.293 4.958 -12.753 222 HG3 ARG 32 2HG ARG 32 -2.995 3.757 -11.688 223 HD2 ARG 32 1HD ARG 32 -4.431 5.343 -10.632 224 HD3 ARG 32 2HD ARG 32 -3.466 6.710 -11.153 225 HE ARG 32 HE ARG 32 -4.540 6.667 -13.249 226 HH11 ARG 32 2HH2 ARG 32 -5.294 3.734 -11.457 227 HH12 ARG 32 1HH2 ARG 32 -6.527 3.223 -12.562 228 HH21 ARG 32 2HH1 ARG 32 -6.166 5.994 -14.707 229 HH22 ARG 32 1HH1 ARG 32 -7.026 4.517 -14.423 230 H LEU 33 H LEU 33 1.242 2.164 -9.967 231 HA LEU 33 HA LEU 33 2.335 3.979 -7.956 232 HB2 LEU 33 1HB LEU 33 2.556 1.048 -8.514 233 HB3 LEU 33 2HB LEU 33 3.850 1.854 -7.649 234 HG LEU 33 HG LEU 33 2.527 1.040 -5.939 235 HD11 LEU 33 1HD1 LEU 33 2.868 3.643 -5.997 236 HD12 LEU 33 2HD1 LEU 33 1.094 3.662 -6.147 237 HD13 LEU 33 3HD1 LEU 33 1.860 2.883 -4.742 238 HD21 LEU 33 1HD2 LEU 33 -0.087 2.008 -7.030 239 HD22 LEU 33 2HD2 LEU 33 0.637 0.523 -7.692 240 HD23 LEU 33 3HD2 LEU 33 0.269 0.636 -5.954 241 H GLU 34 H GLU 34 3.974 5.319 -8.471 242 HA GLU 34 HA GLU 34 5.964 4.396 -10.303 243 HB2 GLU 34 1HB GLU 34 4.336 6.892 -10.959 244 HB3 GLU 34 2HB GLU 34 5.766 6.362 -11.822 245 HG2 GLU 34 1HG GLU 34 4.552 4.152 -12.287 246 HG3 GLU 34 2HG GLU 34 3.107 4.878 -11.613 247 H ALA 35 H ALA 35 7.485 4.612 -8.628 248 HA ALA 35 HA ALA 35 7.562 6.932 -6.991 249 HB1 ALA 35 1HB ALA 35 9.503 5.888 -6.027 250 HB2 ALA 35 2HB ALA 35 8.341 4.591 -6.395 251 HB3 ALA 35 3HB ALA 35 9.739 4.863 -7.463 252 H VAL 36 H VAL 36 9.136 8.637 -6.998 253 HA VAL 36 HA VAL 36 10.713 8.840 -9.453 254 HB VAL 36 HB VAL 36 8.662 10.782 -8.412 255 HG11 VAL 36 1HG1 VAL 36 9.744 12.209 -10.404 256 HG12 VAL 36 2HG1 VAL 36 10.283 12.361 -8.715 257 HG13 VAL 36 3HG1 VAL 36 11.208 11.357 -9.857 258 HG21 VAL 36 1HG2 VAL 36 9.221 9.660 -11.179 259 HG22 VAL 36 2HG2 VAL 36 7.924 9.137 -10.078 260 HG23 VAL 36 3HG2 VAL 36 7.910 10.785 -10.750 261 H THR 37 H THR 37 12.241 8.023 -7.660 262 HA THR 37 HA THR 37 13.142 10.315 -6.044 263 HB THR 37 HB THR 37 13.831 8.717 -4.405 264 HG1 THR 37 1HG THR 37 13.412 6.828 -6.615 265 HG21 THR 37 1HG2 THR 37 11.226 8.704 -4.923 266 HG22 THR 37 2HG2 THR 37 11.565 7.104 -5.626 267 HG23 THR 37 3HG2 THR 37 11.912 7.413 -3.908 268 H SER 38 H SER 38 15.065 11.229 -6.450 269 HA SER 38 HA SER 38 16.657 9.894 -8.479 270 HB2 SER 38 1HB SER 38 17.752 12.176 -8.702 271 HB3 SER 38 2HB SER 38 16.055 12.125 -9.134 272 HG SER 38 HG SER 38 16.677 12.734 -6.424 273 H ASN 39 H ASN 39 19.046 9.851 -8.215 274 HA ASN 39 HA ASN 39 20.835 9.347 -7.098 275 HB2 ASN 39 1HB ASN 39 20.112 11.878 -6.193 276 HB3 ASN 39 2HB ASN 39 20.265 11.006 -4.681 277 HD21 ASN 39 1HD2 ASN 39 21.951 12.992 -5.045 278 HD22 ASN 39 2HD2 ASN 39 23.561 12.461 -5.402 279 H HIS 40 H HIS 40 21.669 8.625 -4.687 280 HA HIS 40 HA HIS 40 21.491 7.215 -3.017 281 HB2 HIS 40 1HB HIS 40 18.636 8.215 -2.945 282 HB3 HIS 40 2HB HIS 40 19.296 7.114 -1.753 283 HD1 HIS 40 1HD HIS 40 18.364 10.301 -1.535 284 HD2 HIS 40 2HD HIS 40 22.214 8.657 -1.274 285 HE1 HIS 40 1HE HIS 40 19.773 11.983 -0.233 286 H ASP 41 H ASP 41 20.110 5.137 -2.225 287 HA ASP 41 HA ASP 41 19.457 3.126 -2.700 288 HB2 ASP 41 1HB ASP 41 18.024 4.718 -4.811 289 HB3 ASP 41 2HB ASP 41 18.062 2.980 -5.032 290 H GLY 42 H GLY 42 21.034 1.649 -3.337 291 HA2 GLY 42 1HA GLY 42 22.548 2.171 -5.786 292 HA3 GLY 42 2HA GLY 42 22.960 1.061 -4.494 293 H GLY 43 H GLY 43 22.702 -1.084 -4.928 294 HA2 GLY 43 1HA GLY 43 20.857 -1.805 -7.119 295 HA3 GLY 43 2HA GLY 43 22.305 -2.681 -6.666 296 H CYS 44 H CYS 44 18.994 -1.774 -5.589 297 HA CYS 44 HA CYS 44 18.848 -4.329 -4.236 298 HB2 CYS 44 1HB CYS 44 18.740 -1.689 -2.830 299 HB3 CYS 44 2HB CYS 44 17.616 -2.932 -2.318 300 HG CYS 44 HG CYS 44 19.803 -4.771 -2.536 301 H ASP 45 H ASP 45 16.561 -4.981 -3.926 302 HA ASP 45 HA ASP 45 14.964 -3.975 -6.028 303 HB2 ASP 45 1HB ASP 45 14.313 -5.926 -3.768 304 HB3 ASP 45 2HB ASP 45 13.292 -5.651 -5.166 305 H CYS 46 H CYS 46 13.054 -2.672 -5.833 306 HA CYS 46 HA CYS 46 12.509 -1.705 -3.120 307 HB2 CYS 46 1HB CYS 46 12.140 0.491 -3.924 308 HB3 CYS 46 2HB CYS 46 13.652 -0.031 -4.641 309 HG CYS 46 HG CYS 46 12.691 1.082 -6.618 310 H TYR 47 H TYR 47 10.160 -0.864 -2.940 311 HA TYR 47 HA TYR 47 8.278 -1.711 -4.888 312 HB2 TYR 47 1HB TYR 47 7.272 -3.468 -3.324 313 HB3 TYR 47 2HB TYR 47 8.863 -3.921 -3.902 314 HD1 TYR 47 1HD TYR 47 7.026 -2.529 -0.986 315 HD2 TYR 47 2HD TYR 47 10.677 -4.260 -2.391 316 HE1 TYR 47 1HE TYR 47 7.824 -2.809 1.411 317 HE2 TYR 47 2HE TYR 47 11.463 -4.534 0.011 318 HH TYR 47 HH TYR 47 10.269 -4.796 2.275 319 H VAL 48 H VAL 48 6.029 -1.224 -4.205 320 HA VAL 48 HA VAL 48 6.067 0.977 -2.306 321 HB VAL 48 HB VAL 48 3.760 0.089 -4.021 322 HG11 VAL 48 1HG1 VAL 48 2.784 1.934 -3.238 323 HG12 VAL 48 2HG1 VAL 48 4.192 2.209 -2.185 324 HG13 VAL 48 3HG1 VAL 48 4.142 2.932 -3.811 325 HG21 VAL 48 1HG2 VAL 48 4.577 1.559 -5.811 326 HG22 VAL 48 2HG2 VAL 48 6.067 1.865 -4.887 327 HG23 VAL 48 3HG2 VAL 48 5.718 0.229 -5.496 328 H GLN 49 H GLN 49 4.761 1.064 -0.441 329 HA GLN 49 HA GLN 49 3.319 -1.384 0.157 330 HB2 GLN 49 1HB GLN 49 5.561 -1.546 1.228 331 HB3 GLN 49 2HB GLN 49 5.288 -0.023 2.049 332 HG2 GLN 49 1HG GLN 49 3.015 -1.378 2.786 333 HG3 GLN 49 2HG GLN 49 4.128 -2.720 2.615 334 HE21 GLN 49 1HE2 GLN 49 2.824 -1.194 4.914 335 HE22 GLN 49 2HE2 GLN 49 4.109 -0.882 6.033 336 H GLY 50 H GLY 50 1.295 -0.986 0.988 337 HA2 GLY 50 1HA GLY 50 0.753 1.787 1.866 338 HA3 GLY 50 2HA GLY 50 -0.382 0.766 1.007 339 H SER 51 H SER 51 -0.496 2.099 3.748 340 HA SER 51 HA SER 51 -1.311 -0.309 5.134 341 HB2 SER 51 1HB SER 51 1.018 0.491 5.908 342 HB3 SER 51 2HB SER 51 0.214 1.904 6.564 343 HG SER 51 HG SER 51 0.160 0.549 8.284 344 H VAL 52 H VAL 52 -3.018 0.095 6.747 345 HA VAL 52 HA VAL 52 -4.107 2.803 6.712 346 HB VAL 52 HB VAL 52 -5.216 0.458 5.381 347 HG11 VAL 52 1HG1 VAL 52 -7.045 1.996 7.257 348 HG12 VAL 52 2HG1 VAL 52 -7.535 0.751 6.082 349 HG13 VAL 52 3HG1 VAL 52 -6.521 0.309 7.477 350 HG21 VAL 52 1HG2 VAL 52 -4.787 2.797 4.460 351 HG22 VAL 52 2HG2 VAL 52 -6.372 2.076 4.090 352 HG23 VAL 52 3HG2 VAL 52 -6.232 3.310 5.365 353 H ALA 53 H ALA 53 -5.730 3.122 8.482 354 HA ALA 53 HA ALA 53 -5.526 1.107 10.585 355 HB1 ALA 53 1HB ALA 53 -3.874 2.409 11.485 356 HB2 ALA 53 2HB ALA 53 -4.384 3.861 10.590 357 HB3 ALA 53 3HB ALA 53 -5.260 3.367 12.059 358 H ASN 54 H ASN 54 -7.608 0.569 10.999 359 HA ASN 54 HA ASN 54 -9.547 2.734 10.803 360 HB2 ASN 54 1HB ASN 54 -11.097 0.478 10.849 361 HB3 ASN 54 2HB ASN 54 -10.488 1.182 9.364 362 HD21 ASN 54 1HD2 ASN 54 -9.972 -0.427 8.083 363 HD22 ASN 54 2HD2 ASN 54 -8.967 -1.784 8.466 364 H ARG 55 H ARG 55 -11.627 1.985 12.316 365 HA ARG 55 HA ARG 55 -10.570 1.998 14.926 366 HB2 ARG 55 1HB ARG 55 -13.299 2.141 13.662 367 HB3 ARG 55 2HB ARG 55 -13.241 1.649 15.343 368 HG2 ARG 55 1HG ARG 55 -12.232 3.696 16.042 369 HG3 ARG 55 2HG ARG 55 -11.703 4.099 14.421 370 HD2 ARG 55 1HD ARG 55 -13.813 4.864 13.762 371 HD3 ARG 55 2HD ARG 55 -14.667 3.789 14.850 372 HE ARG 55 HE ARG 55 -13.805 6.478 15.444 373 HH11 ARG 55 2HH2 ARG 55 -14.192 3.312 16.931 374 HH12 ARG 55 1HH2 ARG 55 -14.406 3.947 18.528 375 HH21 ARG 55 2HH1 ARG 55 -14.088 7.316 17.551 376 HH22 ARG 55 1HH1 ARG 55 -14.346 6.239 18.883 377 H THR 56 H THR 56 -10.945 -0.486 12.733 378 HA THR 56 HA THR 56 -11.823 -2.444 14.734 379 HB THR 56 HB THR 56 -12.185 -3.884 12.757 380 HG1 THR 56 1HG THR 56 -11.321 -1.577 11.205 381 HG21 THR 56 1HG2 THR 56 -13.478 -2.079 11.237 382 HG22 THR 56 2HG2 THR 56 -14.132 -2.570 12.818 383 HG23 THR 56 3HG2 THR 56 -13.224 -1.046 12.664 384 H GLY 57 H GLY 57 -9.033 -1.310 12.878 385 HA2 GLY 57 1HA GLY 57 -7.139 -2.409 14.531 386 HA3 GLY 57 2HA GLY 57 -7.442 -3.643 13.325 387 H SER 58 H SER 58 -5.980 -3.583 11.682 388 HA SER 58 HA SER 58 -5.601 -1.146 10.287 389 HB2 SER 58 1HB SER 58 -3.019 -1.330 10.530 390 HB3 SER 58 2HB SER 58 -3.917 -0.587 11.838 391 HG SER 58 HG SER 58 -3.911 -3.167 12.452 392 H VAL 59 H VAL 59 -4.534 -1.519 8.195 393 HA VAL 59 HA VAL 59 -4.032 -4.348 7.619 394 HB VAL 59 HB VAL 59 -5.157 -3.734 5.346 395 HG11 VAL 59 1HG1 VAL 59 -7.442 -4.099 6.980 396 HG12 VAL 59 2HG1 VAL 59 -6.497 -5.339 6.121 397 HG13 VAL 59 3HG1 VAL 59 -6.091 -4.915 7.802 398 HG21 VAL 59 1HG2 VAL 59 -7.152 -2.224 5.726 399 HG22 VAL 59 2HG2 VAL 59 -6.367 -1.692 7.232 400 HG23 VAL 59 3HG2 VAL 59 -5.573 -1.405 5.665 401 H GLU 60 H GLU 60 -2.704 -4.644 5.618 402 HA GLU 60 HA GLU 60 -1.323 -2.259 4.783 403 HB2 GLU 60 1HB GLU 60 -0.056 -4.496 6.362 404 HB3 GLU 60 2HB GLU 60 0.895 -3.710 5.117 405 HG2 GLU 60 1HG GLU 60 0.649 -1.537 6.166 406 HG3 GLU 60 2HG GLU 60 -0.593 -2.126 7.254 407 H ALA 61 H ALA 61 0.181 -2.759 2.872 408 HA ALA 61 HA ALA 61 -0.031 -5.262 1.584 409 HB1 ALA 61 1HB ALA 61 -1.356 -4.223 -0.410 410 HB2 ALA 61 2HB ALA 61 -2.261 -4.795 1.012 411 HB3 ALA 61 3HB ALA 61 -1.944 -3.056 0.799 412 H GLN 62 H GLN 62 0.958 -5.095 -0.694 413 HA GLN 62 HA GLN 62 2.340 -2.684 -1.253 414 HB2 GLN 62 1HB GLN 62 4.643 -3.835 -1.148 415 HB3 GLN 62 2HB GLN 62 3.933 -3.348 0.378 416 HG2 GLN 62 1HG GLN 62 2.886 -5.857 0.209 417 HG3 GLN 62 2HG GLN 62 4.340 -6.106 -0.736 418 HE21 GLN 62 1HE2 GLN 62 6.067 -6.695 0.319 419 HE22 GLN 62 2HE2 GLN 62 6.434 -6.403 1.987 420 H THR 63 H THR 63 3.949 -3.136 -3.214 421 HA THR 63 HA THR 63 2.500 -4.958 -4.999 422 HB THR 63 HB THR 63 3.646 -3.527 -6.761 423 HG1 THR 63 1HG THR 63 5.458 -2.856 -5.464 424 HG21 THR 63 1HG2 THR 63 1.492 -2.773 -5.091 425 HG22 THR 63 2HG2 THR 63 2.584 -1.367 -5.068 426 HG23 THR 63 3HG2 THR 63 1.960 -1.984 -6.617 427 H ALA 64 H ALA 64 4.267 -5.547 -6.941 428 HA ALA 64 HA ALA 64 5.952 -7.434 -5.574 429 HB1 ALA 64 1HB ALA 64 6.215 -8.416 -7.732 430 HB2 ALA 64 2HB ALA 64 4.528 -7.853 -7.662 431 HB3 ALA 64 3HB ALA 64 5.744 -6.911 -8.557 432 H LEU 65 H LEU 65 8.207 -7.442 -5.492 433 HA LEU 65 HA LEU 65 9.495 -5.004 -5.435 434 HB2 LEU 65 1HB LEU 65 10.394 -7.859 -5.533 435 HB3 LEU 65 2HB LEU 65 11.578 -6.572 -5.642 436 HG LEU 65 HG LEU 65 10.002 -5.848 -3.452 437 HD11 LEU 65 1HD1 LEU 65 10.735 -8.708 -2.949 438 HD12 LEU 65 2HD1 LEU 65 9.548 -7.668 -2.128 439 HD13 LEU 65 3HD1 LEU 65 9.186 -8.329 -3.740 440 HD21 LEU 65 1HD2 LEU 65 12.060 -6.633 -2.153 441 HD22 LEU 65 2HD2 LEU 65 12.718 -7.132 -3.730 442 HD23 LEU 65 3HD2 LEU 65 12.309 -5.425 -3.436 443 H LYS 66 H LYS 66 10.704 -3.791 -6.881 444 HA LYS 66 HA LYS 66 10.928 -4.881 -9.589 445 HB2 LYS 66 1HB LYS 66 9.596 -2.322 -8.738 446 HB3 LYS 66 2HB LYS 66 10.393 -2.415 -10.295 447 HG2 LYS 66 1HG LYS 66 8.773 -4.806 -9.870 448 HG3 LYS 66 2HG LYS 66 7.795 -3.373 -9.620 449 HD2 LYS 66 1HD LYS 66 8.884 -2.514 -11.860 450 HD3 LYS 66 2HD LYS 66 9.329 -4.191 -12.110 451 HE2 LYS 66 1HE LYS 66 7.041 -4.917 -12.150 452 HE3 LYS 66 2HE LYS 66 6.465 -3.428 -11.427 453 HZ1 LYS 66 1HZ LYS 66 6.082 -2.876 -13.531 454 HZ2 LYS 66 2HZ LYS 66 7.678 -2.540 -13.622 455 HZ3 LYS 66 3HZ LYS 66 7.114 -3.977 -14.155 456 H LYS 67 H LYS 67 12.500 -3.442 -10.924 457 HA LYS 67 HA LYS 67 14.874 -3.213 -9.338 458 HB2 LYS 67 1HB LYS 67 15.218 -4.192 -11.432 459 HB3 LYS 67 2HB LYS 67 14.212 -3.026 -12.267 460 HG2 LYS 67 1HG LYS 67 16.044 -1.771 -12.706 461 HG3 LYS 67 2HG LYS 67 16.271 -1.513 -10.987 462 HD2 LYS 67 1HD LYS 67 17.259 -4.030 -12.395 463 HD3 LYS 67 2HD LYS 67 18.242 -2.585 -12.270 464 HE2 LYS 67 1HE LYS 67 18.163 -2.672 -9.813 465 HE3 LYS 67 2HE LYS 67 17.018 -3.998 -9.854 466 HZ1 LYS 67 1HZ LYS 67 18.654 -5.389 -10.802 467 HZ2 LYS 67 2HZ LYS 67 19.702 -4.159 -11.034 468 HZ3 LYS 67 3HZ LYS 67 19.351 -4.658 -9.519 469 H ARG 68 H ARG 68 15.788 -1.393 -8.497 470 HA ARG 68 HA ARG 68 14.235 0.899 -8.367 471 HB2 ARG 68 1HB ARG 68 16.369 -0.097 -6.955 472 HB3 ARG 68 2HB ARG 68 17.184 1.151 -7.876 473 HG2 ARG 68 1HG ARG 68 14.677 1.620 -6.195 474 HG3 ARG 68 2HG ARG 68 16.307 1.947 -5.643 475 HD2 ARG 68 1HD ARG 68 16.293 3.964 -6.684 476 HD3 ARG 68 2HD ARG 68 15.981 3.199 -8.229 477 HE ARG 68 HE ARG 68 13.808 4.007 -8.058 478 HH11 ARG 68 2HH2 ARG 68 15.011 3.390 -4.809 479 HH12 ARG 68 1HH2 ARG 68 13.551 3.906 -4.032 480 HH21 ARG 68 2HH1 ARG 68 11.882 4.688 -7.034 481 HH22 ARG 68 1HH1 ARG 68 11.759 4.649 -5.307 482 H GLN 69 H GLN 69 14.124 2.701 -9.700 483 HA GLN 69 HA GLN 69 16.369 3.237 -11.424 484 HB2 GLN 69 1HB GLN 69 13.563 2.655 -12.453 485 HB3 GLN 69 2HB GLN 69 14.760 3.511 -13.405 486 HG2 GLN 69 1HG GLN 69 15.391 0.808 -12.160 487 HG3 GLN 69 2HG GLN 69 14.565 0.919 -13.701 488 HE21 GLN 69 1HE2 GLN 69 16.808 -0.353 -13.834 489 HE22 GLN 69 2HE2 GLN 69 18.106 0.566 -14.521 490 H LEU 70 H LEU 70 15.711 5.378 -12.807 491 HA LEU 70 HA LEU 70 15.173 7.333 -10.833 492 HB2 LEU 70 1HB LEU 70 16.250 7.188 -13.474 493 HB3 LEU 70 2HB LEU 70 15.003 8.419 -13.455 494 HG LEU 70 HG LEU 70 17.183 9.389 -13.011 495 HD11 LEU 70 1HD1 LEU 70 15.923 9.567 -10.318 496 HD12 LEU 70 2HD1 LEU 70 16.481 10.851 -11.417 497 HD13 LEU 70 3HD1 LEU 70 14.937 10.023 -11.728 498 HD21 LEU 70 1HD2 LEU 70 17.690 7.053 -11.588 499 HD22 LEU 70 2HD2 LEU 70 18.749 8.478 -11.720 500 HD23 LEU 70 3HD2 LEU 70 17.631 8.323 -10.343 501 H HIS 71 H HIS 71 13.173 5.309 -12.762 502 HA HIS 71 HA HIS 71 10.858 6.602 -11.765 503 HB2 HIS 71 1HB HIS 71 11.535 8.013 -13.783 504 HB3 HIS 71 2HB HIS 71 11.140 6.624 -14.776 505 HD1 HIS 71 1HD HIS 71 9.258 8.199 -15.852 506 HD2 HIS 71 2HD HIS 71 8.680 7.157 -11.830 507 HE1 HIS 71 1HE HIS 71 6.821 8.736 -15.318 508 H THR 72 H THR 72 10.556 4.514 -10.841 509 HA THR 72 HA THR 72 10.269 2.300 -12.728 510 HB THR 72 HB THR 72 10.395 2.517 -9.676 511 HG1 THR 72 1HG THR 72 12.462 1.473 -10.206 512 HG21 THR 72 1HG2 THR 72 10.700 -0.076 -11.192 513 HG22 THR 72 2HG2 THR 72 10.171 0.190 -9.513 514 HG23 THR 72 3HG2 THR 72 9.047 0.496 -10.859 515 H THR 73 H THR 73 8.374 0.995 -12.838 516 HA THR 73 HA THR 73 5.979 2.216 -11.676 517 HB THR 73 HB THR 73 4.892 1.932 -13.971 518 HG1 THR 73 1HG THR 73 6.434 0.487 -14.903 519 HG21 THR 73 1HG2 THR 73 7.132 3.655 -14.759 520 HG22 THR 73 2HG2 THR 73 5.437 4.102 -14.450 521 HG23 THR 73 3HG2 THR 73 6.599 4.032 -13.103 522 H TRP 74 H TRP 74 4.132 0.766 -11.563 523 HA TRP 74 HA TRP 74 5.007 -2.043 -11.632 524 HB2 TRP 74 1HB TRP 74 3.347 -0.559 -9.602 525 HB3 TRP 74 2HB TRP 74 3.276 -2.303 -9.763 526 HD1 TRP 74 HD TRP 74 5.306 -3.689 -8.709 527 HE1 TRP 74 1HE TRP 74 7.438 -3.142 -7.254 528 HE3 TRP 74 3HE TRP 74 5.102 1.351 -9.355 529 HZ2 TRP 74 2HZ TRP 74 8.771 -0.718 -6.552 530 HZ3 TRP 74 3HZ TRP 74 6.857 2.735 -8.251 531 HH2 TRP 74 HH TRP 74 8.647 1.778 -6.889 532 H GLU 75 H GLU 75 2.840 -3.485 -11.622 533 HA GLU 75 HA GLU 75 1.197 -2.325 -13.728 534 HB2 GLU 75 1HB GLU 75 2.633 -4.660 -13.783 535 HB3 GLU 75 2HB GLU 75 1.086 -5.264 -13.222 536 HG2 GLU 75 1HG GLU 75 -0.022 -4.040 -15.160 537 HG3 GLU 75 2HG GLU 75 1.574 -3.622 -15.750 538 H GLU 76 H GLU 76 1.221 -3.896 -10.532 539 HA GLU 76 HA GLU 76 -1.684 -3.663 -10.499 540 HB2 GLU 76 1HB GLU 76 -1.647 -5.309 -8.664 541 HB3 GLU 76 2HB GLU 76 -0.830 -5.945 -10.077 542 HG2 GLU 76 1HG GLU 76 1.376 -5.148 -9.049 543 HG3 GLU 76 2HG GLU 76 0.486 -4.758 -7.591 544 H GLY 77 H GLY 77 -2.573 -3.137 -8.182 545 HA2 GLY 77 1HA GLY 77 -0.902 -0.969 -7.057 546 HA3 GLY 77 2HA GLY 77 -2.650 -0.927 -7.178 547 H LEU 78 H LEU 78 -2.503 -0.490 -4.785 548 HA LEU 78 HA LEU 78 -2.003 -2.959 -3.282 549 HB2 LEU 78 1HB LEU 78 -2.143 -0.118 -2.266 550 HB3 LEU 78 2HB LEU 78 -1.719 -1.545 -1.341 551 HG LEU 78 HG LEU 78 -0.121 -0.340 -3.617 552 HD11 LEU 78 1HD1 LEU 78 1.044 0.816 -2.111 553 HD12 LEU 78 2HD1 LEU 78 -0.265 0.448 -0.962 554 HD13 LEU 78 3HD1 LEU 78 1.184 -0.584 -1.021 555 HD21 LEU 78 1HD2 LEU 78 1.600 -2.015 -3.065 556 HD22 LEU 78 2HD2 LEU 78 0.470 -2.785 -1.927 557 HD23 LEU 78 3HD2 LEU 78 0.098 -2.755 -3.667 558 H VAL 79 H VAL 79 -3.535 -3.450 -1.493 559 HA VAL 79 HA VAL 79 -6.164 -2.247 -1.856 560 HB VAL 79 HB VAL 79 -5.712 -5.234 -1.888 561 HG11 VAL 79 1HG1 VAL 79 -8.054 -3.512 -1.607 562 HG12 VAL 79 2HG1 VAL 79 -8.205 -4.641 -2.975 563 HG13 VAL 79 3HG1 VAL 79 -7.882 -5.264 -1.339 564 HG21 VAL 79 1HG2 VAL 79 -6.524 -4.993 -4.314 565 HG22 VAL 79 2HG2 VAL 79 -6.081 -3.276 -4.161 566 HG23 VAL 79 3HG2 VAL 79 -4.840 -4.537 -3.961 567 H LEU 80 H LEU 80 -7.169 -1.898 0.081 568 HA LEU 80 HA LEU 80 -6.266 -3.477 2.362 569 HB2 LEU 80 1HB LEU 80 -6.390 -0.461 2.409 570 HB3 LEU 80 2HB LEU 80 -5.947 -1.520 3.732 571 HG LEU 80 HG LEU 80 -4.296 -1.840 1.303 572 HD11 LEU 80 1HD1 LEU 80 -2.952 0.260 2.078 573 HD12 LEU 80 2HD1 LEU 80 -4.339 0.444 0.977 574 HD13 LEU 80 3HD1 LEU 80 -4.525 0.800 2.711 575 HD21 LEU 80 1HD2 LEU 80 -4.075 -2.752 3.791 576 HD22 LEU 80 2HD2 LEU 80 -2.655 -2.398 2.778 577 HD23 LEU 80 3HD2 LEU 80 -3.191 -1.221 4.002 578 HA PRO 81 HA PRO 81 -10.568 -3.459 2.914 579 HB2 PRO 81 1HB PRO 81 -10.681 -4.895 5.237 580 HB3 PRO 81 2HB PRO 81 -10.548 -5.639 3.656 581 HG2 PRO 81 1HG PRO 81 -8.468 -5.311 5.732 582 HG3 PRO 81 2HG PRO 81 -8.486 -6.398 4.357 583 HD2 PRO 81 1HD PRO 81 -6.999 -3.957 4.595 584 HD3 PRO 81 2HD PRO 81 -7.108 -4.984 3.180 585 H LEU 82 H LEU 82 -11.812 -1.775 3.400 586 HA LEU 82 HA LEU 82 -11.642 -0.814 6.114 587 HB2 LEU 82 1HB LEU 82 -9.890 0.490 5.225 588 HB3 LEU 82 2HB LEU 82 -10.774 0.834 3.751 589 HG LEU 82 HG LEU 82 -10.527 2.675 5.558 590 HD11 LEU 82 1HD1 LEU 82 -13.234 2.074 4.334 591 HD12 LEU 82 2HD1 LEU 82 -12.680 3.656 4.933 592 HD13 LEU 82 3HD1 LEU 82 -11.876 2.903 3.535 593 HD21 LEU 82 1HD2 LEU 82 -11.582 0.860 7.243 594 HD22 LEU 82 2HD2 LEU 82 -11.730 2.620 7.470 595 HD23 LEU 82 3HD2 LEU 82 -13.067 1.701 6.738 596 H ALA 83 H ALA 83 -13.630 -0.133 6.824 597 HA ALA 83 HA ALA 83 -15.809 -0.486 4.987 598 HB1 ALA 83 1HB ALA 83 -17.125 -0.577 6.898 599 HB2 ALA 83 2HB ALA 83 -15.553 -1.096 7.553 600 HB3 ALA 83 3HB ALA 83 -16.105 0.580 7.787 601 H GLU 84 H GLU 84 -17.434 1.147 4.512 602 HA GLU 84 HA GLU 84 -16.234 3.616 3.920 603 HB2 GLU 84 1HB GLU 84 -18.106 2.383 2.641 604 HB3 GLU 84 2HB GLU 84 -19.213 2.999 3.852 605 HG2 GLU 84 1HG GLU 84 -17.816 5.296 3.175 606 HG3 GLU 84 2HG GLU 84 -17.830 4.440 1.646 607 H GLU 85 H GLU 85 -17.910 2.332 6.694 608 HA GLU 85 HA GLU 85 -18.794 4.892 7.600 609 HB2 GLU 85 1HB GLU 85 -19.448 3.596 9.667 610 HB3 GLU 85 2HB GLU 85 -20.153 2.982 8.185 611 HG2 GLU 85 1HG GLU 85 -18.727 1.091 8.125 612 HG3 GLU 85 2HG GLU 85 -17.514 1.845 9.141 613 H GLU 86 H GLU 86 -15.792 3.465 7.340 614 HA GLU 86 HA GLU 86 -14.883 4.800 9.771 615 HB2 GLU 86 1HB GLU 86 -13.575 2.437 8.353 616 HB3 GLU 86 2HB GLU 86 -12.992 3.201 9.818 617 HG2 GLU 86 1HG GLU 86 -15.725 2.583 10.325 618 HG3 GLU 86 2HG GLU 86 -15.075 1.177 9.505 619 H LEU 87 H LEU 87 -15.054 4.953 6.408 620 HA LEU 87 HA LEU 87 -12.618 5.551 5.440 621 HB2 LEU 87 1HB LEU 87 -15.363 6.574 4.918 622 HB3 LEU 87 2HB LEU 87 -14.024 7.433 4.183 623 HG LEU 87 HG LEU 87 -14.426 4.450 3.873 624 HD11 LEU 87 1HD1 LEU 87 -16.170 6.371 2.910 625 HD12 LEU 87 2HD1 LEU 87 -15.079 6.072 1.536 626 HD13 LEU 87 3HD1 LEU 87 -15.962 4.718 2.281 627 HD21 LEU 87 1HD2 LEU 87 -12.978 4.782 1.877 628 HD22 LEU 87 2HD2 LEU 87 -12.729 6.470 2.384 629 HD23 LEU 87 3HD2 LEU 87 -12.168 5.137 3.422 630 HA PRO 88 HA PRO 88 -12.831 9.849 7.396 631 HB2 PRO 88 1HB PRO 88 -14.758 10.419 9.249 632 HB3 PRO 88 2HB PRO 88 -14.906 10.834 7.553 633 HG2 PRO 88 1HG PRO 88 -16.242 8.666 9.053 634 HG3 PRO 88 2HG PRO 88 -16.679 9.360 7.505 635 HD2 PRO 88 1HD PRO 88 -15.376 6.844 7.951 636 HD3 PRO 88 2HD PRO 88 -15.709 7.591 6.401 637 H THR 89 H THR 89 -13.469 7.045 9.249 638 HA THR 89 HA THR 89 -11.739 8.102 11.378 639 HB THR 89 HB THR 89 -12.902 6.622 12.828 640 HG1 THR 89 1HG THR 89 -12.746 4.653 11.719 641 HG21 THR 89 1HG2 THR 89 -15.075 7.331 12.609 642 HG22 THR 89 2HG2 THR 89 -14.514 8.204 11.163 643 HG23 THR 89 3HG2 THR 89 -15.231 6.582 11.002 644 H ALA 90 H ALA 90 -10.879 7.156 8.636 645 HA ALA 90 HA ALA 90 -8.908 5.268 9.661 646 HB1 ALA 90 1HB ALA 90 -9.281 3.658 7.988 647 HB2 ALA 90 2HB ALA 90 -10.928 4.113 8.486 648 HB3 ALA 90 3HB ALA 90 -10.236 4.778 6.988 649 H THR 91 H THR 91 -6.903 5.314 8.448 650 HA THR 91 HA THR 91 -6.735 7.436 6.435 651 HB THR 91 HB THR 91 -4.887 7.178 8.865 652 HG1 THR 91 1HG THR 91 -6.194 8.901 9.642 653 HG21 THR 91 1HG2 THR 91 -4.357 8.419 6.450 654 HG22 THR 91 2HG2 THR 91 -5.190 9.722 7.331 655 HG23 THR 91 3HG2 THR 91 -3.722 8.984 8.014 656 H LEU 92 H LEU 92 -4.915 7.259 5.002 657 HA LEU 92 HA LEU 92 -3.907 4.503 4.946 658 HB2 LEU 92 1HB LEU 92 -5.180 4.739 3.046 659 HB3 LEU 92 2HB LEU 92 -4.762 6.427 2.829 660 HG LEU 92 HG LEU 92 -2.490 5.774 2.108 661 HD11 LEU 92 1HD1 LEU 92 -1.656 3.769 2.547 662 HD12 LEU 92 2HD1 LEU 92 -3.216 3.260 3.237 663 HD13 LEU 92 3HD1 LEU 92 -2.888 3.019 1.504 664 HD21 LEU 92 1HD2 LEU 92 -3.260 5.785 0.027 665 HD22 LEU 92 2HD2 LEU 92 -3.921 4.141 0.204 666 HD23 LEU 92 3HD2 LEU 92 -4.898 5.550 0.684 667 H THR 93 H THR 93 -1.673 4.144 4.454 668 HA THR 93 HA THR 93 0.031 6.511 4.421 669 HB THR 93 HB THR 93 -0.111 4.405 6.614 670 HG1 THR 93 1HG THR 93 0.160 7.304 6.270 671 HG21 THR 93 1HG2 THR 93 2.312 5.686 5.464 672 HG22 THR 93 2HG2 THR 93 2.084 6.020 7.197 673 HG23 THR 93 3HG2 THR 93 2.191 4.339 6.622 674 H LEU 94 H LEU 94 1.444 6.318 2.811 675 HA LEU 94 HA LEU 94 1.947 3.623 1.813 676 HB2 LEU 94 1HB LEU 94 2.189 6.381 0.644 677 HB3 LEU 94 2HB LEU 94 3.002 5.013 -0.089 678 HG LEU 94 HG LEU 94 1.085 4.113 -0.907 679 HD11 LEU 94 1HD1 LEU 94 0.044 3.554 1.172 680 HD12 LEU 94 2HD1 LEU 94 -0.382 5.254 1.483 681 HD13 LEU 94 3HD1 LEU 94 -1.167 4.369 0.153 682 HD21 LEU 94 1HD2 LEU 94 0.736 5.938 -2.155 683 HD22 LEU 94 2HD2 LEU 94 -0.662 6.211 -1.088 684 HD23 LEU 94 3HD2 LEU 94 0.879 7.042 -0.766 685 H THR 95 H THR 95 4.108 2.856 1.434 686 HA THR 95 HA THR 95 6.277 4.428 2.548 687 HB THR 95 HB THR 95 6.637 1.945 3.800 688 HG1 THR 95 1HG THR 95 4.485 1.279 3.513 689 HG21 THR 95 1HG2 THR 95 5.703 3.167 5.878 690 HG22 THR 95 2HG2 THR 95 7.046 3.986 5.045 691 HG23 THR 95 3HG2 THR 95 5.374 4.544 4.799 692 H LEU 96 H LEU 96 8.169 4.094 1.500 693 HA LEU 96 HA LEU 96 8.132 1.894 -0.444 694 HB2 LEU 96 1HB LEU 96 8.586 4.690 -0.728 695 HB3 LEU 96 2HB LEU 96 10.098 3.868 -1.057 696 HG LEU 96 HG LEU 96 7.535 2.985 -2.377 697 HD11 LEU 96 1HD1 LEU 96 7.746 5.388 -2.799 698 HD12 LEU 96 2HD1 LEU 96 9.407 5.142 -3.391 699 HD13 LEU 96 3HD1 LEU 96 8.034 4.435 -4.275 700 HD21 LEU 96 1HD2 LEU 96 10.429 2.781 -3.250 701 HD22 LEU 96 2HD2 LEU 96 9.493 1.485 -2.467 702 HD23 LEU 96 3HD2 LEU 96 9.012 2.085 -4.072 703 H ARG 97 H ARG 97 9.084 0.214 0.670 704 HA ARG 97 HA ARG 97 11.432 0.821 2.208 705 HB2 ARG 97 1HB ARG 97 9.586 -1.544 1.898 706 HB3 ARG 97 2HB ARG 97 11.224 -1.877 2.425 707 HG2 ARG 97 1HG ARG 97 10.434 -1.412 4.519 708 HG3 ARG 97 2HG ARG 97 10.599 0.267 4.044 709 HD2 ARG 97 1HD ARG 97 8.270 0.447 3.456 710 HD3 ARG 97 2HD ARG 97 8.052 -1.292 3.443 711 HE ARG 97 HE ARG 97 7.949 0.441 5.771 712 HH11 ARG 97 2HH2 ARG 97 8.775 -2.816 4.725 713 HH12 ARG 97 1HH2 ARG 97 8.496 -3.524 6.281 714 HH21 ARG 97 2HH1 ARG 97 7.581 -0.492 7.824 715 HH22 ARG 97 1HH1 ARG 97 7.812 -2.193 8.056 716 H THR 98 H THR 98 13.498 -0.371 1.853 717 HA THR 98 HA THR 98 13.805 -1.161 -0.970 718 HB THR 98 HB THR 98 16.243 -0.385 -0.479 719 HG1 THR 98 1HG THR 98 16.471 0.334 1.602 720 HG21 THR 98 1HG2 THR 98 15.761 1.805 -1.137 721 HG22 THR 98 2HG2 THR 98 14.190 1.057 -1.511 722 HG23 THR 98 3HG2 THR 98 14.409 1.956 0.010 723 H CYS 99 H CYS 99 14.204 -3.240 -1.350 724 HA CYS 99 HA CYS 99 14.371 -5.119 0.625 725 HB2 CYS 99 1HB CYS 99 13.794 -5.711 -1.648 726 HB3 CYS 99 2HB CYS 99 15.374 -5.232 -2.236 727 HG CYS 99 HG CYS 99 16.779 -7.008 -1.134 728 H ASP 100 H ASP 100 15.892 -4.946 2.272 729 HA ASP 100 HA ASP 100 18.659 -4.751 1.373 730 HB2 ASP 100 1HB ASP 100 17.164 -3.316 3.529 731 HB3 ASP 100 2HB ASP 100 18.754 -3.893 3.989 732 H ARG 101 H ARG 101 20.028 -5.428 3.662 733 HA ARG 101 HA ARG 101 19.756 -8.113 3.839 734 HB2 ARG 101 1HB ARG 101 21.661 -6.515 4.661 735 HB3 ARG 101 2HB ARG 101 20.772 -6.430 6.168 736 HG2 ARG 101 1HG ARG 101 20.867 -8.929 6.359 737 HG3 ARG 101 2HG ARG 101 21.771 -9.004 4.860 738 HD2 ARG 101 1HD ARG 101 23.194 -7.119 6.401 739 HD3 ARG 101 2HD ARG 101 22.712 -8.333 7.570 740 HE ARG 101 HE ARG 101 24.066 -9.933 6.473 741 HH11 ARG 101 2HH2 ARG 101 23.871 -6.977 4.575 742 HH12 ARG 101 1HH2 ARG 101 25.151 -7.431 3.500 743 HH21 ARG 101 2HH1 ARG 101 25.755 -10.534 5.056 744 HH22 ARG 101 1HH1 ARG 101 26.230 -9.468 3.775 745 H PHE 102 H PHE 102 18.674 -5.629 6.277 746 HA PHE 102 HA PHE 102 16.794 -7.647 7.286 747 HB2 PHE 102 1HB PHE 102 18.430 -5.379 8.532 748 HB3 PHE 102 2HB PHE 102 17.003 -5.973 9.358 749 HD1 PHE 102 2HD PHE 102 16.927 -8.375 10.088 750 HD2 PHE 102 1HD PHE 102 20.474 -6.575 8.609 751 HE1 PHE 102 2HE PHE 102 18.290 -10.214 11.119 752 HE2 PHE 102 1HE PHE 102 21.837 -8.414 9.639 753 HZ PHE 102 HZ PHE 102 20.728 -10.211 10.882 754 H SER 103 H SER 103 17.351 -4.233 6.338 755 HA SER 103 HA SER 103 15.989 -2.659 5.723 756 HB2 SER 103 1HB SER 103 13.887 -4.867 5.610 757 HB3 SER 103 2HB SER 103 13.626 -3.240 5.014 758 HG SER 103 HG SER 103 14.761 -3.677 3.245 759 H ARG 104 H ARG 104 16.534 -2.588 8.352 760 HA ARG 104 HA ARG 104 14.300 -2.846 10.005 761 HB2 ARG 104 1HB ARG 104 17.065 -1.691 10.220 762 HB3 ARG 104 2HB ARG 104 15.898 -1.107 11.390 763 HG2 ARG 104 1HG ARG 104 16.362 -2.980 12.595 764 HG3 ARG 104 2HG ARG 104 15.424 -3.858 11.402 765 HD2 ARG 104 1HD ARG 104 17.402 -5.052 11.214 766 HD3 ARG 104 2HD ARG 104 17.760 -3.794 10.048 767 HE ARG 104 HE ARG 104 18.551 -2.873 12.641 768 HH11 ARG 104 2HH2 ARG 104 19.487 -5.247 10.219 769 HH12 ARG 104 1HH2 ARG 104 21.155 -5.256 10.687 770 HH21 ARG 104 2HH1 ARG 104 20.751 -2.883 13.259 771 HH22 ARG 104 1HH1 ARG 104 21.879 -3.902 12.427 772 H HIS 105 H HIS 105 13.606 -0.765 11.413 773 HA HIS 105 HA HIS 105 12.041 0.819 9.942 774 HB2 HIS 105 1HB HIS 105 13.500 1.662 12.462 775 HB3 HIS 105 2HB HIS 105 12.038 2.394 11.830 776 HD1 HIS 105 1HD HIS 105 13.251 -0.413 13.914 777 HD2 HIS 105 2HD HIS 105 9.697 0.659 11.960 778 HE1 HIS 105 1HE HIS 105 11.418 -1.887 14.905 779 H SER 106 H SER 106 12.459 2.062 8.189 780 HA SER 106 HA SER 106 14.434 4.098 8.444 781 HB2 SER 106 1HB SER 106 15.062 1.627 7.037 782 HB3 SER 106 2HB SER 106 15.058 2.965 5.905 783 HG SER 106 HG SER 106 16.374 4.022 7.851 784 H VAL 107 H VAL 107 12.617 2.252 5.874 785 HA VAL 107 HA VAL 107 11.120 2.891 4.381 786 HB VAL 107 HB VAL 107 10.694 4.975 6.501 787 HG11 VAL 107 1HG1 VAL 107 9.134 4.756 3.903 788 HG12 VAL 107 2HG1 VAL 107 8.720 5.792 5.290 789 HG13 VAL 107 3HG1 VAL 107 10.212 6.093 4.368 790 HG21 VAL 107 1HG2 VAL 107 9.973 2.538 6.736 791 HG22 VAL 107 2HG2 VAL 107 8.714 3.770 6.994 792 HG23 VAL 107 3HG2 VAL 107 8.781 2.873 5.458 793 H ALA 108 H ALA 108 11.589 3.607 2.366 794 HA ALA 108 HA ALA 108 13.664 5.583 2.087 795 HB1 ALA 108 1HB ALA 108 13.860 4.769 -0.073 796 HB2 ALA 108 2HB ALA 108 13.161 3.347 0.739 797 HB3 ALA 108 3HB ALA 108 12.120 4.428 -0.219 798 H GLY 109 H GLY 109 10.272 5.599 2.479 799 HA2 GLY 109 1HA GLY 109 10.016 8.354 2.181 800 HA3 GLY 109 2HA GLY 109 9.522 7.632 0.663 801 H GLU 110 H GLU 110 7.925 9.049 2.812 802 HA GLU 110 HA GLU 110 6.017 6.882 3.207 803 HB2 GLU 110 1HB GLU 110 7.280 8.623 5.224 804 HB3 GLU 110 2HB GLU 110 5.530 8.672 5.307 805 HG2 GLU 110 1HG GLU 110 5.345 6.429 5.898 806 HG3 GLU 110 2HG GLU 110 6.767 5.955 4.990 807 H LEU 111 H LEU 111 3.992 7.326 2.410 808 HA LEU 111 HA LEU 111 3.346 10.153 1.968 809 HB2 LEU 111 1HB LEU 111 4.030 8.416 -0.037 810 HB3 LEU 111 2HB LEU 111 2.285 8.257 -0.008 811 HG LEU 111 HG LEU 111 2.530 9.940 -1.536 812 HD11 LEU 111 1HD1 LEU 111 1.557 10.725 0.955 813 HD12 LEU 111 2HD1 LEU 111 2.617 12.062 0.445 814 HD13 LEU 111 3HD1 LEU 111 1.284 11.531 -0.608 815 HD21 LEU 111 1HD2 LEU 111 4.777 11.203 0.053 816 HD22 LEU 111 2HD2 LEU 111 5.010 10.038 -1.273 817 HD23 LEU 111 3HD2 LEU 111 4.246 11.612 -1.596 818 H ARG 112 H ARG 112 1.786 10.558 3.455 819 HA ARG 112 HA ARG 112 -0.085 8.428 3.995 820 HB2 ARG 112 1HB ARG 112 0.864 9.492 5.972 821 HB3 ARG 112 2HB ARG 112 0.497 11.094 5.364 822 HG2 ARG 112 1HG ARG 112 -1.588 11.025 6.254 823 HG3 ARG 112 2HG ARG 112 -1.948 9.526 5.421 824 HD2 ARG 112 1HD ARG 112 -1.814 8.394 7.382 825 HD3 ARG 112 2HD ARG 112 -0.137 8.871 7.553 826 HE ARG 112 HE ARG 112 -2.382 9.984 8.991 827 HH11 ARG 112 2HH2 ARG 112 0.720 10.867 7.584 828 HH12 ARG 112 1HH2 ARG 112 0.975 12.198 8.663 829 HH21 ARG 112 2HH1 ARG 112 -2.046 11.740 10.415 830 HH22 ARG 112 1HH1 ARG 112 -0.609 12.698 10.284 831 H LEU 113 H LEU 113 -2.337 8.614 3.571 832 HA LEU 113 HA LEU 113 -3.169 11.101 2.258 833 HB2 LEU 113 1HB LEU 113 -3.838 8.300 1.345 834 HB3 LEU 113 2HB LEU 113 -4.452 9.787 0.651 835 HG LEU 113 HG LEU 113 -2.658 8.753 -0.691 836 HD11 LEU 113 1HD1 LEU 113 -2.965 11.065 -1.045 837 HD12 LEU 113 2HD1 LEU 113 -2.158 11.491 0.484 838 HD13 LEU 113 3HD1 LEU 113 -1.209 10.832 -0.870 839 HD21 LEU 113 1HD2 LEU 113 -1.435 8.184 1.678 840 HD22 LEU 113 2HD2 LEU 113 -0.643 8.143 0.084 841 HD23 LEU 113 3HD2 LEU 113 -0.486 9.583 1.119 842 H GLY 114 H GLY 114 -5.744 11.016 2.063 843 HA2 GLY 114 1HA GLY 114 -6.742 10.064 4.683 844 HA3 GLY 114 2HA GLY 114 -7.186 11.600 3.966 845 H LEU 115 H LEU 115 -8.646 8.898 4.676 846 HA LEU 115 HA LEU 115 -9.741 8.311 2.038 847 HB2 LEU 115 1HB LEU 115 -10.403 6.914 4.617 848 HB3 LEU 115 2HB LEU 115 -10.613 6.338 2.975 849 HG LEU 115 HG LEU 115 -7.970 6.735 4.405 850 HD11 LEU 115 1HD1 LEU 115 -9.719 4.358 3.900 851 HD12 LEU 115 2HD1 LEU 115 -7.951 4.151 3.912 852 HD13 LEU 115 3HD1 LEU 115 -8.779 4.805 5.345 853 HD21 LEU 115 1HD2 LEU 115 -7.410 7.164 2.200 854 HD22 LEU 115 2HD2 LEU 115 -7.150 5.407 2.326 855 HD23 LEU 115 3HD2 LEU 115 -8.627 6.036 1.557 856 H ASP 116 H ASP 116 -10.143 10.746 4.087 857 HA ASP 116 HA ASP 116 -12.993 10.518 4.394 858 HB2 ASP 116 1HB ASP 116 -11.992 11.531 6.279 859 HB3 ASP 116 2HB ASP 116 -10.847 12.437 5.311 860 H GLY 117 H GLY 117 -10.582 11.750 2.199 861 HA2 GLY 117 1HA GLY 117 -10.915 12.655 0.129 862 HA3 GLY 117 2HA GLY 117 -12.612 12.902 0.490 863 H THR 118 H THR 118 -9.365 14.067 1.654 864 HA THR 118 HA THR 118 -10.349 16.802 1.372 865 HB THR 118 HB THR 118 -9.458 15.421 3.933 866 HG1 THR 118 1HG THR 118 -11.733 15.764 3.462 867 HG21 THR 118 1HG2 THR 118 -8.041 17.521 3.599 868 HG22 THR 118 2HG2 THR 118 -9.556 18.443 3.451 869 HG23 THR 118 3HG2 THR 118 -9.162 17.618 4.978 870 H SER 119 H SER 119 -7.428 15.447 2.986 871 HA SER 119 HA SER 119 -5.730 17.195 1.776 872 HB2 SER 119 1HB SER 119 -5.393 14.481 3.051 873 HB3 SER 119 2HB SER 119 -4.013 15.201 2.247 874 HG SER 119 HG SER 119 -3.840 15.980 4.305 875 H VAL 120 H VAL 120 -6.948 14.009 0.669 876 HA VAL 120 HA VAL 120 -5.914 14.627 -1.979 877 HB VAL 120 HB VAL 120 -4.136 13.321 -1.219 878 HG11 VAL 120 1HG1 VAL 120 -4.184 11.715 0.384 879 HG12 VAL 120 2HG1 VAL 120 -5.743 12.474 0.786 880 HG13 VAL 120 3HG1 VAL 120 -5.702 11.004 -0.217 881 HG21 VAL 120 1HG2 VAL 120 -4.202 11.359 -2.573 882 HG22 VAL 120 2HG2 VAL 120 -5.974 11.250 -2.452 883 HG23 VAL 120 3HG2 VAL 120 -5.225 12.572 -3.380 884 HA PRO 121 HA PRO 121 -9.945 13.209 -2.770 885 HB2 PRO 121 1HB PRO 121 -9.944 13.522 -5.485 886 HB3 PRO 121 2HB PRO 121 -10.277 14.832 -4.369 887 HG2 PRO 121 1HG PRO 121 -7.829 14.316 -5.944 888 HG3 PRO 121 2HG PRO 121 -8.345 15.802 -5.172 889 HD2 PRO 121 1HD PRO 121 -6.330 13.990 -4.232 890 HD3 PRO 121 2HD PRO 121 -6.928 15.414 -3.404 891 H LEU 122 H LEU 122 -11.181 11.602 -4.178 892 HA LEU 122 HA LEU 122 -9.454 9.247 -4.259 893 HB2 LEU 122 1HB LEU 122 -12.427 9.647 -4.009 894 HB3 LEU 122 2HB LEU 122 -11.736 8.091 -4.425 895 HG LEU 122 HG LEU 122 -10.989 9.620 -1.921 896 HD11 LEU 122 1HD1 LEU 122 -13.356 7.957 -2.518 897 HD12 LEU 122 2HD1 LEU 122 -12.493 7.551 -1.016 898 HD13 LEU 122 3HD1 LEU 122 -13.102 9.203 -1.273 899 HD21 LEU 122 1HD2 LEU 122 -10.573 6.970 -1.415 900 HD22 LEU 122 2HD2 LEU 122 -10.146 7.076 -3.140 901 HD23 LEU 122 3HD2 LEU 122 -9.325 8.119 -1.953 902 H GLY 123 H GLY 123 -9.602 7.762 -6.098 903 HA2 GLY 123 1HA GLY 123 -9.534 7.322 -8.300 904 HA3 GLY 123 2HA GLY 123 -10.979 8.301 -8.456 905 H ALA 124 H ALA 124 -8.232 9.926 -7.028 906 HA ALA 124 HA ALA 124 -7.563 11.092 -9.640 907 HB1 ALA 124 1HB ALA 124 -9.119 12.496 -8.138 908 HB2 ALA 124 2HB ALA 124 -7.716 12.675 -7.058 909 HB3 ALA 124 3HB ALA 124 -7.635 13.282 -8.729 910 H ALA 125 H ALA 125 -5.570 10.188 -10.001 911 HA ALA 125 HA ALA 125 -3.799 9.502 -7.932 912 HB1 ALA 125 1HB ALA 125 -4.020 8.750 -10.458 913 HB2 ALA 125 2HB ALA 125 -2.889 10.095 -10.740 914 HB3 ALA 125 3HB ALA 125 -2.430 8.759 -9.658 915 H GLN 126 H GLN 126 -2.131 10.613 -6.943 916 HA GLN 126 HA GLN 126 -1.711 13.328 -7.918 917 HB2 GLN 126 1HB GLN 126 -1.674 12.567 -4.972 918 HB3 GLN 126 2HB GLN 126 -1.650 14.179 -5.659 919 HG2 GLN 126 1HG GLN 126 -3.973 12.418 -6.403 920 HG3 GLN 126 2HG GLN 126 -3.925 13.013 -4.755 921 HE21 GLN 126 1HE2 GLN 126 -5.856 13.670 -6.703 922 HE22 GLN 126 2HE2 GLN 126 -5.783 15.370 -7.028 923 H TRP 127 H TRP 127 0.453 14.120 -7.794 924 HA TRP 127 HA TRP 127 2.415 11.992 -7.520 925 HB2 TRP 127 1HB TRP 127 2.245 14.586 -8.939 926 HB3 TRP 127 2HB TRP 127 3.828 14.143 -8.331 927 HD1 TRP 127 HD TRP 127 1.646 13.561 -11.275 928 HE1 TRP 127 1HE TRP 127 2.529 11.656 -12.874 929 HE3 TRP 127 3HE TRP 127 5.054 11.672 -8.007 930 HZ2 TRP 127 2HZ TRP 127 4.509 9.619 -12.598 931 HZ3 TRP 127 3HZ TRP 127 6.421 9.725 -8.750 932 HH2 TRP 127 HH TRP 127 6.191 8.702 -10.958 933 H GLY 128 H GLY 128 1.618 12.188 -5.063 934 HA2 GLY 128 1HA GLY 128 2.435 14.396 -3.523 935 HA3 GLY 128 2HA GLY 128 2.106 12.774 -2.948 936 H GLU 129 H GLU 129 4.256 14.624 -2.085 937 HA GLU 129 HA GLU 129 6.609 13.356 -3.182 938 HB2 GLU 129 1HB GLU 129 6.001 15.899 -1.791 939 HB3 GLU 129 2HB GLU 129 7.485 15.146 -1.244 940 HG2 GLU 129 1HG GLU 129 8.546 15.404 -3.291 941 HG3 GLU 129 2HG GLU 129 7.069 15.193 -4.210 942 H LEU 130 H LEU 130 7.705 11.733 -2.140 943 HA LEU 130 HA LEU 130 6.609 10.466 0.062 944 HB2 LEU 130 1HB LEU 130 9.261 10.366 -1.330 945 HB3 LEU 130 2HB LEU 130 9.021 9.468 0.156 946 HG LEU 130 HG LEU 130 7.297 9.170 -2.318 947 HD11 LEU 130 1HD1 LEU 130 8.868 7.893 -3.217 948 HD12 LEU 130 2HD1 LEU 130 9.942 8.221 -1.836 949 HD13 LEU 130 3HD1 LEU 130 8.831 6.831 -1.789 950 HD21 LEU 130 1HD2 LEU 130 6.903 6.898 -0.966 951 HD22 LEU 130 2HD2 LEU 130 7.236 7.980 0.408 952 HD23 LEU 130 3HD2 LEU 130 5.909 8.354 -0.719 953 H LYS 131 H LYS 131 6.927 10.565 2.276 954 HA LYS 131 HA LYS 131 8.391 12.934 3.163 955 HB2 LYS 131 1HB LYS 131 6.237 11.270 4.497 956 HB3 LYS 131 2HB LYS 131 7.075 12.599 5.271 957 HG2 LYS 131 1HG LYS 131 5.637 12.929 2.603 958 HG3 LYS 131 2HG LYS 131 4.816 13.147 4.136 959 HD2 LYS 131 1HD LYS 131 5.623 15.257 4.280 960 HD3 LYS 131 2HD LYS 131 7.262 14.637 4.296 961 HE2 LYS 131 1HE LYS 131 6.607 14.408 1.605 962 HE3 LYS 131 2HE LYS 131 5.725 15.853 2.060 963 HZ1 LYS 131 1HZ LYS 131 8.601 15.366 2.340 964 HZ2 LYS 131 2HZ LYS 131 7.860 16.528 1.464 965 HZ3 LYS 131 3HZ LYS 131 7.853 16.606 3.095 966 H THR 132 H THR 132 10.297 11.338 2.457 967 HA THR 132 HA THR 132 11.051 9.124 3.761 968 HB THR 132 HB THR 132 13.371 9.925 3.355 969 HG1 THR 132 1HG THR 132 13.497 12.083 3.869 970 HG21 THR 132 1HG2 THR 132 11.533 9.650 1.360 971 HG22 THR 132 2HG2 THR 132 11.891 11.384 1.181 972 HG23 THR 132 3HG2 THR 132 13.201 10.187 1.045 973 H SER 133 H SER 133 12.181 8.525 5.661 974 HA SER 133 HA SER 133 12.474 8.503 7.811 975 HB2 SER 133 1HB SER 133 13.748 10.228 8.763 976 HB3 SER 133 2HB SER 133 14.039 10.456 7.050 977 HG SER 133 HG SER 133 11.934 11.927 7.382 978 H GLY 134 H GLY 134 11.819 9.960 10.028 979 HA2 GLY 134 1HA GLY 134 9.083 10.960 9.683 980 HA3 GLY 134 2HA GLY 134 9.333 9.563 10.711 981 HA PRO 135 HA PRO 135 10.058 13.333 13.199 982 HB2 PRO 135 1HB PRO 135 8.009 13.058 14.985 983 HB3 PRO 135 2HB PRO 135 7.903 14.062 13.553 984 HG2 PRO 135 1HG PRO 135 6.687 11.415 14.054 985 HG3 PRO 135 2HG PRO 135 6.264 12.605 12.840 986 HD2 PRO 135 1HD PRO 135 7.751 10.188 12.428 987 HD3 PRO 135 2HD PRO 135 7.427 11.434 11.240 988 H SER 136 H SER 136 8.773 10.363 14.629 989 HA SER 136 HA SER 136 10.364 10.573 16.884 990 HB2 SER 136 1HB SER 136 9.858 8.068 17.098 991 HB3 SER 136 2HB SER 136 8.469 9.131 16.987 992 HG SER 136 HG SER 136 7.879 8.175 15.166 993 H SER 137 H SER 137 10.729 8.459 13.938 994 HA SER 137 HA SER 137 12.468 7.595 12.970 995 HB2 SER 137 1HB SER 137 13.280 10.098 13.326 996 HB3 SER 137 2HB SER 137 14.403 9.376 14.461 997 HG SER 137 HG SER 137 15.610 8.963 12.747 998 H GLY 138 H GLY 138 13.256 5.575 13.449 999 HA2 GLY 138 1HA GLY 138 15.151 4.751 15.085 1000 HA3 GLY 138 2HA GLY 138 13.851 4.956 16.242
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