NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
13344 | 1ujy | 11356 | 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 26.231 -14.312 7.733 2 HA2 GLY 1 1HA GLY 1 25.236 -15.649 5.808 3 HA3 GLY 1 2HA GLY 1 24.224 -16.364 7.047 4 H SER 2 H SER 2 22.657 -15.264 5.310 5 HA SER 2 HA SER 2 21.829 -12.814 6.585 6 HB2 SER 2 1HB SER 2 22.430 -13.086 3.616 7 HB3 SER 2 2HB SER 2 21.356 -11.846 4.231 8 HG SER 2 HG SER 2 23.530 -11.706 5.780 9 H SER 3 H SER 3 21.134 -15.027 3.773 10 HA SER 3 HA SER 3 19.226 -15.769 2.987 11 HB2 SER 3 1HB SER 3 19.742 -16.855 5.559 12 HB3 SER 3 2HB SER 3 18.013 -16.570 5.520 13 HG SER 3 HG SER 3 19.606 -18.255 3.827 14 H GLY 4 H GLY 4 18.210 -13.797 2.274 15 HA2 GLY 4 1HA GLY 4 16.791 -12.039 3.922 16 HA3 GLY 4 2HA GLY 4 16.594 -12.239 2.193 17 H SER 5 H SER 5 14.277 -11.946 2.390 18 HA SER 5 HA SER 5 13.003 -14.415 3.202 19 HB2 SER 5 1HB SER 5 12.902 -12.310 4.916 20 HB3 SER 5 2HB SER 5 11.545 -11.888 3.890 21 HG SER 5 HG SER 5 10.922 -14.291 4.266 22 H SER 6 H SER 6 12.933 -14.740 0.844 23 HA SER 6 HA SER 6 11.570 -12.797 -0.720 24 HB2 SER 6 1HB SER 6 12.332 -15.667 -1.425 25 HB3 SER 6 2HB SER 6 11.876 -14.415 -2.562 26 HG SER 6 HG SER 6 13.775 -13.171 -1.645 27 H GLY 7 H GLY 7 9.371 -12.547 -0.560 28 HA2 GLY 7 1HA GLY 7 7.636 -14.790 -0.965 29 HA3 GLY 7 2HA GLY 7 7.599 -14.217 0.691 30 H SER 8 H SER 8 7.100 -11.880 1.092 31 HA SER 8 HA SER 8 6.031 -10.428 -1.113 32 HB2 SER 8 1HB SER 8 4.139 -11.234 1.139 33 HB3 SER 8 2HB SER 8 3.741 -10.245 -0.251 34 HG SER 8 HG SER 8 3.376 -12.806 -0.129 35 H HIS 9 H HIS 9 6.364 -8.252 -0.716 36 HA HIS 9 HA HIS 9 7.085 -7.570 2.028 37 HB2 HIS 9 1HB HIS 9 8.452 -7.165 -0.302 38 HB3 HIS 9 2HB HIS 9 7.612 -5.635 -0.146 39 HD1 HIS 9 1HD HIS 9 9.499 -7.883 2.346 40 HD2 HIS 9 2HD HIS 9 9.215 -3.870 1.158 41 HE1 HIS 9 1HE HIS 9 11.138 -6.585 3.810 42 H GLN 10 H GLN 10 4.292 -7.869 0.724 43 HA GLN 10 HA GLN 10 3.075 -5.580 0.165 44 HB2 GLN 10 1HB GLN 10 1.025 -6.564 0.994 45 HB3 GLN 10 2HB GLN 10 2.018 -7.861 0.358 46 HG2 GLN 10 1HG GLN 10 2.890 -7.842 2.957 47 HG3 GLN 10 2HG GLN 10 1.249 -7.271 3.190 48 HE21 GLN 10 1HE2 GLN 10 2.235 -9.706 4.140 49 HE22 GLN 10 2HE2 GLN 10 1.403 -11.015 3.370 50 H LEU 11 H LEU 11 2.326 -3.713 1.207 51 HA LEU 11 HA LEU 11 3.301 -3.402 3.954 52 HB2 LEU 11 1HB LEU 11 3.779 -1.892 1.721 53 HB3 LEU 11 2HB LEU 11 2.450 -1.019 2.459 54 HG LEU 11 HG LEU 11 5.104 -1.688 3.759 55 HD11 LEU 11 1HD1 LEU 11 5.673 0.087 2.464 56 HD12 LEU 11 2HD1 LEU 11 4.008 0.712 2.382 57 HD13 LEU 11 3HD1 LEU 11 4.988 0.979 3.843 58 HD21 LEU 11 1HD2 LEU 11 4.315 -0.311 5.654 59 HD22 LEU 11 2HD2 LEU 11 2.704 -0.234 4.902 60 HD23 LEU 11 3HD2 LEU 11 3.364 -1.799 5.434 61 H ILE 12 H ILE 12 1.862 -3.317 5.594 62 HA ILE 12 HA ILE 12 -0.951 -3.213 4.864 63 HB ILE 12 HB ILE 12 0.538 -4.030 7.351 64 HG12 ILE 12 1HG1 ILE 12 -1.166 -6.065 6.547 65 HG13 ILE 12 2HG1 ILE 12 -0.598 -5.407 5.025 66 HG21 ILE 12 1HG2 ILE 12 -1.461 -2.839 8.062 67 HG22 ILE 12 2HG2 ILE 12 -2.461 -3.824 6.968 68 HG23 ILE 12 3HG2 ILE 12 -1.635 -4.587 8.349 69 HD11 ILE 12 1HD1 ILE 12 1.751 -5.647 5.752 70 HD12 ILE 12 2HD1 ILE 12 1.211 -6.233 7.343 71 HD13 ILE 12 3HD1 ILE 12 0.903 -7.205 5.885 72 H VAL 13 H VAL 13 -1.911 -1.258 4.771 73 HA VAL 13 HA VAL 13 -1.194 0.655 6.872 74 HB VAL 13 HB VAL 13 -1.338 2.458 5.199 75 HG11 VAL 13 1HG1 VAL 13 0.803 0.847 5.783 76 HG12 VAL 13 2HG1 VAL 13 0.787 0.799 4.002 77 HG13 VAL 13 3HG1 VAL 13 0.886 2.361 4.850 78 HG21 VAL 13 1HG2 VAL 13 -2.680 0.899 3.578 79 HG22 VAL 13 2HG2 VAL 13 -1.579 2.130 2.915 80 HG23 VAL 13 3HG2 VAL 13 -1.066 0.428 2.995 81 H LYS 14 H LYS 14 -2.942 1.658 7.824 82 HA LYS 14 HA LYS 14 -5.537 0.718 6.906 83 HB2 LYS 14 1HB LYS 14 -4.733 0.484 9.304 84 HB3 LYS 14 2HB LYS 14 -4.879 2.224 9.448 85 HG2 LYS 14 1HG LYS 14 -7.000 1.589 10.169 86 HG3 LYS 14 2HG LYS 14 -7.321 1.809 8.460 87 HD2 LYS 14 1HD LYS 14 -8.252 -0.307 8.801 88 HD3 LYS 14 2HD LYS 14 -6.641 -0.746 8.269 89 HE2 LYS 14 1HE LYS 14 -5.896 -1.171 10.529 90 HE3 LYS 14 2HE LYS 14 -7.297 -0.380 11.221 91 HZ1 LYS 14 1HZ LYS 14 -7.088 -3.005 10.744 92 HZ2 LYS 14 2HZ LYS 14 -8.496 -2.212 10.979 93 HZ3 LYS 14 3HZ LYS 14 -7.972 -2.513 9.462 94 H ALA 15 H ALA 15 -7.254 2.114 6.342 95 HA ALA 15 HA ALA 15 -6.505 4.411 4.952 96 HB1 ALA 15 1HB ALA 15 -8.470 3.412 4.208 97 HB2 ALA 15 2HB ALA 15 -9.086 3.146 5.856 98 HB3 ALA 15 3HB ALA 15 -9.116 4.779 5.146 99 H ARG 16 H ARG 16 -7.554 6.650 5.403 100 HA ARG 16 HA ARG 16 -6.965 7.231 8.183 101 HB2 ARG 16 1HB ARG 16 -5.583 8.484 6.603 102 HB3 ARG 16 2HB ARG 16 -6.985 8.976 5.674 103 HG2 ARG 16 1HG ARG 16 -7.830 10.156 7.809 104 HG3 ARG 16 2HG ARG 16 -6.248 9.854 8.499 105 HD2 ARG 16 1HD ARG 16 -6.012 11.004 5.806 106 HD3 ARG 16 2HD ARG 16 -6.986 12.030 6.842 107 HE ARG 16 HE ARG 16 -4.134 11.596 7.058 108 HH11 ARG 16 2HH2 ARG 16 -7.011 12.187 8.996 109 HH12 ARG 16 1HH2 ARG 16 -6.139 12.922 10.299 110 HH21 ARG 16 2HH1 ARG 16 -2.982 12.564 8.778 111 HH22 ARG 16 1HH1 ARG 16 -3.832 13.139 10.175 112 H PHE 17 H PHE 17 -9.170 8.324 5.491 113 HA PHE 17 HA PHE 17 -11.370 8.320 7.376 114 HB2 PHE 17 1HB PHE 17 -11.841 10.659 7.039 115 HB3 PHE 17 2HB PHE 17 -10.099 10.628 7.229 116 HD1 PHE 17 1HD PHE 17 -8.794 10.252 4.912 117 HD2 PHE 17 2HD PHE 17 -12.688 11.893 5.291 118 HE1 PHE 17 1HE PHE 17 -8.532 11.388 2.689 119 HE2 PHE 17 2HE PHE 17 -12.426 13.029 3.069 120 HZ PHE 17 HZ PHE 17 -10.350 12.763 1.794 121 H ASN 18 H ASN 18 -13.383 9.388 5.898 122 HA ASN 18 HA ASN 18 -13.915 7.404 4.085 123 HB2 ASN 18 1HB ASN 18 -15.084 10.235 4.210 124 HB3 ASN 18 2HB ASN 18 -15.824 8.889 3.368 125 HD21 ASN 18 1HD2 ASN 18 -16.048 6.851 4.746 126 HD22 ASN 18 2HD2 ASN 18 -16.686 7.053 6.344 127 H PHE 19 H PHE 19 -12.588 7.109 2.260 128 HA PHE 19 HA PHE 19 -12.002 9.514 0.682 129 HB2 PHE 19 1HB PHE 19 -10.015 8.343 1.657 130 HB3 PHE 19 2HB PHE 19 -10.595 6.805 1.050 131 HD1 PHE 19 2HD PHE 19 -10.592 6.380 -1.417 132 HD2 PHE 19 1HD PHE 19 -8.755 9.810 0.278 133 HE1 PHE 19 2HE PHE 19 -9.275 6.718 -3.528 134 HE2 PHE 19 1HE PHE 19 -7.439 10.147 -1.832 135 HZ PHE 19 HZ PHE 19 -7.715 8.597 -3.710 136 H LYS 20 H LYS 20 -13.269 9.655 -1.106 137 HA LYS 20 HA LYS 20 -14.402 7.209 -2.180 138 HB2 LYS 20 1HB LYS 20 -15.775 9.269 -1.726 139 HB3 LYS 20 2HB LYS 20 -14.899 10.081 -3.008 140 HG2 LYS 20 1HG LYS 20 -15.604 8.209 -4.585 141 HG3 LYS 20 2HG LYS 20 -16.596 7.559 -3.295 142 HD2 LYS 20 1HD LYS 20 -17.730 9.874 -3.168 143 HD3 LYS 20 2HD LYS 20 -16.888 10.275 -4.652 144 HE2 LYS 20 1HE LYS 20 -17.950 8.307 -5.783 145 HE3 LYS 20 2HE LYS 20 -18.792 7.907 -4.300 146 HZ1 LYS 20 1HZ LYS 20 -19.489 10.425 -4.573 147 HZ2 LYS 20 2HZ LYS 20 -19.290 10.053 -6.150 148 HZ3 LYS 20 3HZ LYS 20 -20.339 9.199 -5.235 149 H GLN 21 H GLN 21 -13.980 6.382 -4.242 150 HA GLN 21 HA GLN 21 -11.440 7.200 -5.274 151 HB2 GLN 21 1HB GLN 21 -11.566 5.193 -6.636 152 HB3 GLN 21 2HB GLN 21 -12.088 4.788 -5.012 153 HG2 GLN 21 1HG GLN 21 -14.497 5.141 -5.783 154 HG3 GLN 21 2HG GLN 21 -13.890 5.330 -7.416 155 HE21 GLN 21 1HE2 GLN 21 -12.021 3.529 -7.782 156 HE22 GLN 21 2HE2 GLN 21 -12.580 1.906 -7.555 157 H THR 22 H THR 22 -11.041 8.182 -7.287 158 HA THR 22 HA THR 22 -13.232 9.672 -8.370 159 HB THR 22 HB THR 22 -11.488 10.793 -9.583 160 HG1 THR 22 1HG THR 22 -9.897 8.415 -8.933 161 HG21 THR 22 1HG2 THR 22 -11.098 10.338 -6.845 162 HG22 THR 22 2HG2 THR 22 -9.550 9.828 -7.561 163 HG23 THR 22 3HG2 THR 22 -10.157 11.477 -7.839 164 H ASN 23 H ASN 23 -11.671 6.597 -9.066 165 HA ASN 23 HA ASN 23 -13.658 6.153 -11.060 166 HB2 ASN 23 1HB ASN 23 -10.740 6.526 -11.735 167 HB3 ASN 23 2HB ASN 23 -11.582 5.228 -12.559 168 HD21 ASN 23 1HD2 ASN 23 -13.876 5.897 -13.310 169 HD22 ASN 23 2HD2 ASN 23 -13.982 7.387 -14.188 170 H GLU 24 H GLU 24 -13.566 3.757 -11.762 171 HA GLU 24 HA GLU 24 -13.142 2.160 -9.531 172 HB2 GLU 24 1HB GLU 24 -13.680 0.275 -11.065 173 HB3 GLU 24 2HB GLU 24 -14.807 1.606 -11.241 174 HG2 GLU 24 1HG GLU 24 -13.365 2.440 -13.193 175 HG3 GLU 24 2HG GLU 24 -12.460 0.945 -13.076 176 H ASP 25 H ASP 25 -11.028 3.214 -12.128 177 HA ASP 25 HA ASP 25 -9.260 1.103 -12.167 178 HB2 ASP 25 1HB ASP 25 -9.415 3.812 -13.159 179 HB3 ASP 25 2HB ASP 25 -7.826 3.594 -12.455 180 H GLU 26 H GLU 26 -9.617 3.981 -10.038 181 HA GLU 26 HA GLU 26 -7.171 3.373 -8.669 182 HB2 GLU 26 1HB GLU 26 -8.539 5.716 -9.145 183 HB3 GLU 26 2HB GLU 26 -9.035 5.377 -7.499 184 HG2 GLU 26 1HG GLU 26 -7.019 6.039 -6.705 185 HG3 GLU 26 2HG GLU 26 -6.197 4.860 -7.706 186 H LEU 27 H LEU 27 -7.487 3.639 -6.045 187 HA LEU 27 HA LEU 27 -9.260 1.432 -5.382 188 HB2 LEU 27 1HB LEU 27 -6.691 1.878 -4.750 189 HB3 LEU 27 2HB LEU 27 -7.449 2.661 -3.377 190 HG LEU 27 HG LEU 27 -8.471 -0.047 -4.022 191 HD11 LEU 27 1HD1 LEU 27 -5.978 -0.167 -4.448 192 HD12 LEU 27 2HD1 LEU 27 -5.755 0.210 -2.723 193 HD13 LEU 27 3HD1 LEU 27 -6.618 -1.270 -3.206 194 HD21 LEU 27 1HD2 LEU 27 -8.738 1.708 -1.933 195 HD22 LEU 27 2HD2 LEU 27 -9.096 -0.035 -1.874 196 HD23 LEU 27 3HD2 LEU 27 -7.518 0.569 -1.314 197 H SER 28 H SER 28 -10.311 1.660 -3.072 198 HA SER 28 HA SER 28 -11.151 4.369 -2.588 199 HB2 SER 28 1HB SER 28 -12.734 2.772 -4.221 200 HB3 SER 28 2HB SER 28 -13.448 2.495 -2.645 201 HG SER 28 HG SER 28 -14.499 4.303 -3.375 202 H VAL 29 H VAL 29 -11.123 4.674 -0.387 203 HA VAL 29 HA VAL 29 -11.692 2.332 1.286 204 HB VAL 29 HB VAL 29 -9.920 3.202 2.833 205 HG11 VAL 29 1HG1 VAL 29 -9.583 1.776 0.299 206 HG12 VAL 29 2HG1 VAL 29 -8.075 2.534 0.868 207 HG13 VAL 29 3HG1 VAL 29 -8.952 1.398 1.921 208 HG21 VAL 29 1HG2 VAL 29 -9.545 5.427 2.185 209 HG22 VAL 29 2HG2 VAL 29 -8.098 4.562 1.614 210 HG23 VAL 29 3HG2 VAL 29 -9.385 4.999 0.464 211 H CYS 30 H CYS 30 -12.555 2.876 3.424 212 HA CYS 30 HA CYS 30 -13.787 5.536 3.391 213 HB2 CYS 30 1HB CYS 30 -14.931 2.859 3.830 214 HB3 CYS 30 2HB CYS 30 -15.363 4.013 5.077 215 HG CYS 30 HG CYS 30 -17.297 4.325 3.562 216 H LYS 31 H LYS 31 -13.510 2.925 5.893 217 HA LYS 31 HA LYS 31 -11.513 4.383 7.341 218 HB2 LYS 31 1HB LYS 31 -14.058 5.272 7.781 219 HB3 LYS 31 2HB LYS 31 -13.931 4.024 9.005 220 HG2 LYS 31 1HG LYS 31 -12.313 5.156 10.201 221 HG3 LYS 31 2HG LYS 31 -11.534 5.786 8.764 222 HD2 LYS 31 1HD LYS 31 -12.497 7.779 9.299 223 HD3 LYS 31 2HD LYS 31 -13.988 7.090 8.690 224 HE2 LYS 31 1HE LYS 31 -14.609 7.806 10.851 225 HE3 LYS 31 2HE LYS 31 -14.283 6.102 11.102 226 HZ1 LYS 31 1HZ LYS 31 -12.743 8.394 11.947 227 HZ2 LYS 31 2HZ LYS 31 -13.011 6.978 12.716 228 HZ3 LYS 31 3HZ LYS 31 -11.896 7.063 11.527 229 H GLY 32 H GLY 32 -10.481 3.070 8.902 230 HA2 GLY 32 1HA GLY 32 -9.722 1.098 9.677 231 HA3 GLY 32 2HA GLY 32 -11.402 0.744 10.024 232 H ASP 33 H ASP 33 -9.179 0.892 7.144 233 HA ASP 33 HA ASP 33 -10.138 -1.751 6.460 234 HB2 ASP 33 1HB ASP 33 -9.735 0.136 4.171 235 HB3 ASP 33 2HB ASP 33 -10.868 -1.193 4.327 236 H ILE 34 H ILE 34 -8.021 -2.570 7.011 237 HA ILE 34 HA ILE 34 -5.627 -1.340 6.354 238 HB ILE 34 HB ILE 34 -6.548 -3.949 7.310 239 HG12 ILE 34 1HG1 ILE 34 -5.742 -2.373 8.888 240 HG13 ILE 34 2HG1 ILE 34 -4.533 -3.637 8.781 241 HG21 ILE 34 1HG2 ILE 34 -5.366 -4.860 5.453 242 HG22 ILE 34 2HG2 ILE 34 -3.994 -3.753 5.697 243 HG23 ILE 34 3HG2 ILE 34 -4.323 -5.038 6.884 244 HD11 ILE 34 1HD1 ILE 34 -4.402 -0.792 7.819 245 HD12 ILE 34 2HD1 ILE 34 -3.152 -1.780 8.612 246 HD13 ILE 34 3HD1 ILE 34 -3.516 -2.021 6.887 247 H ILE 35 H ILE 35 -4.459 -1.119 4.504 248 HA ILE 35 HA ILE 35 -5.447 -2.629 2.186 249 HB ILE 35 HB ILE 35 -4.131 0.087 2.204 250 HG12 ILE 35 1HG1 ILE 35 -6.875 0.138 1.356 251 HG13 ILE 35 2HG1 ILE 35 -6.791 -0.601 2.942 252 HG21 ILE 35 1HG2 ILE 35 -5.674 -1.199 -0.047 253 HG22 ILE 35 2HG2 ILE 35 -4.577 0.203 -0.095 254 HG23 ILE 35 3HG2 ILE 35 -3.921 -1.432 0.159 255 HD11 ILE 35 1HD1 ILE 35 -7.012 1.830 3.184 256 HD12 ILE 35 2HD1 ILE 35 -5.400 1.330 3.750 257 HD13 ILE 35 3HD1 ILE 35 -5.586 2.090 2.151 258 H TYR 36 H TYR 36 -3.881 -3.479 0.707 259 HA TYR 36 HA TYR 36 -1.264 -3.838 1.989 260 HB2 TYR 36 1HB TYR 36 -2.878 -5.346 -0.162 261 HB3 TYR 36 2HB TYR 36 -1.283 -5.846 0.363 262 HD1 TYR 36 1HD TYR 36 -1.252 -5.780 3.203 263 HD2 TYR 36 2HD TYR 36 -4.527 -6.762 0.631 264 HE1 TYR 36 1HE TYR 36 -2.302 -7.166 5.057 265 HE2 TYR 36 2HE TYR 36 -5.566 -8.145 2.495 266 HH TYR 36 HH TYR 36 -3.857 -8.619 5.556 267 H VAL 37 H VAL 37 0.281 -2.496 1.196 268 HA VAL 37 HA VAL 37 0.006 -1.459 -1.482 269 HB VAL 37 HB VAL 37 2.256 -1.047 0.486 270 HG11 VAL 37 1HG1 VAL 37 2.006 -0.235 -2.129 271 HG12 VAL 37 2HG1 VAL 37 1.368 1.169 -1.239 272 HG13 VAL 37 3HG1 VAL 37 3.007 0.565 -0.893 273 HG21 VAL 37 1HG2 VAL 37 0.344 1.113 0.486 274 HG22 VAL 37 2HG2 VAL 37 -0.469 -0.414 0.904 275 HG23 VAL 37 3HG2 VAL 37 0.940 0.131 1.847 276 H THR 38 H THR 38 0.806 -2.446 -3.259 277 HA THR 38 HA THR 38 2.909 -4.459 -2.825 278 HB THR 38 HB THR 38 0.972 -5.519 -3.746 279 HG1 THR 38 1HG THR 38 1.744 -5.811 -6.008 280 HG21 THR 38 1HG2 THR 38 0.802 -3.127 -5.654 281 HG22 THR 38 2HG2 THR 38 -0.201 -4.593 -5.771 282 HG23 THR 38 3HG2 THR 38 -0.361 -3.515 -4.364 283 H ARG 39 H ARG 39 1.872 -1.706 -4.907 284 HA ARG 39 HA ARG 39 4.209 -1.817 -6.443 285 HB2 ARG 39 1HB ARG 39 2.082 -0.728 -7.197 286 HB3 ARG 39 2HB ARG 39 2.269 0.503 -5.964 287 HG2 ARG 39 1HG ARG 39 3.600 1.713 -7.339 288 HG3 ARG 39 2HG ARG 39 4.743 0.388 -7.430 289 HD2 ARG 39 1HD ARG 39 2.212 0.380 -9.121 290 HD3 ARG 39 2HD ARG 39 3.644 1.238 -9.654 291 HE ARG 39 HE ARG 39 4.284 -1.477 -8.834 292 HH11 ARG 39 2HH2 ARG 39 2.969 0.429 -11.483 293 HH12 ARG 39 1HH2 ARG 39 3.398 -0.727 -12.698 294 HH21 ARG 39 2HH1 ARG 39 4.850 -3.004 -10.436 295 HH22 ARG 39 1HH1 ARG 39 4.475 -2.694 -12.099 296 H VAL 40 H VAL 40 3.099 0.875 -4.251 297 HA VAL 40 HA VAL 40 4.182 2.065 -2.721 298 HB VAL 40 HB VAL 40 6.531 0.195 -3.061 299 HG11 VAL 40 1HG1 VAL 40 6.080 1.172 -0.384 300 HG12 VAL 40 2HG1 VAL 40 7.507 1.364 -1.430 301 HG13 VAL 40 3HG1 VAL 40 6.172 2.539 -1.520 302 HG21 VAL 40 1HG2 VAL 40 3.952 -0.535 -2.276 303 HG22 VAL 40 2HG2 VAL 40 5.455 -1.444 -1.986 304 HG23 VAL 40 3HG2 VAL 40 4.839 -0.324 -0.747 305 H GLU 41 H GLU 41 4.011 3.667 -4.490 306 HA GLU 41 HA GLU 41 6.568 4.102 -5.804 307 HB2 GLU 41 1HB GLU 41 3.735 4.997 -6.429 308 HB3 GLU 41 2HB GLU 41 5.112 5.785 -7.171 309 HG2 GLU 41 1HG GLU 41 5.261 2.824 -7.276 310 HG3 GLU 41 2HG GLU 41 3.868 3.477 -8.117 311 H GLU 42 H GLU 42 7.499 6.287 -5.834 312 HA GLU 42 HA GLU 42 6.785 7.694 -3.399 313 HB2 GLU 42 1HB GLU 42 9.017 8.617 -3.435 314 HB3 GLU 42 2HB GLU 42 9.157 6.899 -3.748 315 HG2 GLU 42 1HG GLU 42 9.202 7.414 -6.237 316 HG3 GLU 42 2HG GLU 42 9.215 9.121 -5.843 317 H GLY 43 H GLY 43 6.073 7.765 -6.665 318 HA2 GLY 43 1HA GLY 43 6.449 10.395 -7.477 319 HA3 GLY 43 2HA GLY 43 5.186 9.313 -8.030 320 H GLY 44 H GLY 44 3.693 8.865 -5.674 321 HA2 GLY 44 1HA GLY 44 3.066 10.879 -3.993 322 HA3 GLY 44 2HA GLY 44 2.295 11.390 -5.481 323 H TRP 45 H TRP 45 1.853 8.560 -6.430 324 HA TRP 45 HA TRP 45 -0.473 8.035 -4.734 325 HB2 TRP 45 1HB TRP 45 0.162 7.206 -7.572 326 HB3 TRP 45 2HB TRP 45 -1.267 6.717 -6.682 327 HD1 TRP 45 HD TRP 45 0.362 10.048 -7.913 328 HE1 TRP 45 1HE TRP 45 -1.496 11.840 -8.459 329 HE3 TRP 45 3HE TRP 45 -3.567 7.216 -6.363 330 HZ2 TRP 45 2HZ TRP 45 -4.336 11.872 -8.187 331 HZ3 TRP 45 3HZ TRP 45 -5.849 8.203 -6.537 332 HH2 TRP 45 HH TRP 45 -6.267 10.447 -7.412 333 H TRP 46 H TRP 46 -0.955 5.723 -4.232 334 HA TRP 46 HA TRP 46 1.440 4.033 -4.307 335 HB2 TRP 46 1HB TRP 46 0.191 5.198 -1.969 336 HB3 TRP 46 2HB TRP 46 0.126 3.448 -1.905 337 HD1 TRP 46 HD TRP 46 3.160 5.137 -3.568 338 HE1 TRP 46 1HE TRP 46 5.363 4.744 -2.171 339 HE3 TRP 46 3HE TRP 46 0.862 3.021 0.443 340 HZ2 TRP 46 2HZ TRP 46 5.886 3.618 0.399 341 HZ3 TRP 46 3HZ TRP 46 2.291 2.303 2.355 342 HH2 TRP 46 HH TRP 46 4.721 2.571 2.376 343 H GLU 47 H GLU 47 0.949 2.060 -5.184 344 HA GLU 47 HA GLU 47 -1.871 1.483 -5.504 345 HB2 GLU 47 1HB GLU 47 -0.941 1.240 -7.606 346 HB3 GLU 47 2HB GLU 47 0.633 0.787 -6.984 347 HG2 GLU 47 1HG GLU 47 -0.183 -1.468 -6.414 348 HG3 GLU 47 2HG GLU 47 -1.819 -1.029 -6.861 349 H GLY 48 H GLY 48 -2.870 -0.015 -4.228 350 HA2 GLY 48 1HA GLY 48 -1.255 -2.213 -3.133 351 HA3 GLY 48 2HA GLY 48 -2.131 -1.173 -2.028 352 H THR 49 H THR 49 -3.388 -3.080 -1.369 353 HA THR 49 HA THR 49 -5.674 -3.460 -3.140 354 HB THR 49 HB THR 49 -3.629 -5.528 -2.352 355 HG1 THR 49 1HG THR 49 -3.913 -5.785 -4.548 356 HG21 THR 49 1HG2 THR 49 -5.381 -6.706 -1.300 357 HG22 THR 49 2HG2 THR 49 -6.635 -5.901 -2.274 358 HG23 THR 49 3HG2 THR 49 -5.632 -7.181 -2.997 359 H LEU 50 H LEU 50 -7.585 -3.475 -2.083 360 HA LEU 50 HA LEU 50 -7.383 -3.505 0.845 361 HB2 LEU 50 1HB LEU 50 -8.053 -1.362 0.020 362 HB3 LEU 50 2HB LEU 50 -9.275 -2.073 -1.017 363 HG LEU 50 HG LEU 50 -10.513 -2.833 1.006 364 HD11 LEU 50 1HD1 LEU 50 -8.257 -2.627 2.394 365 HD12 LEU 50 2HD1 LEU 50 -8.911 -1.007 2.737 366 HD13 LEU 50 3HD1 LEU 50 -9.857 -2.456 3.155 367 HD21 LEU 50 1HD2 LEU 50 -11.672 -0.985 0.621 368 HD22 LEU 50 2HD2 LEU 50 -10.593 -0.101 1.726 369 HD23 LEU 50 3HD2 LEU 50 -10.224 -0.166 -0.013 370 H ASN 51 H ASN 51 -9.517 -4.283 1.914 371 HA ASN 51 HA ASN 51 -9.834 -6.893 1.442 372 HB2 ASN 51 1HB ASN 51 -11.747 -4.804 2.559 373 HB3 ASN 51 2HB ASN 51 -12.247 -6.481 2.465 374 HD21 ASN 51 1HD2 ASN 51 -10.335 -4.140 4.071 375 HD22 ASN 51 2HD2 ASN 51 -9.648 -5.141 5.307 376 H GLY 52 H GLY 52 -10.074 -7.470 -0.803 377 HA2 GLY 52 1HA GLY 52 -11.257 -8.016 -2.642 378 HA3 GLY 52 2HA GLY 52 -12.715 -7.466 -1.840 379 H ARG 53 H ARG 53 -9.909 -5.304 -2.147 380 HA ARG 53 HA ARG 53 -11.233 -4.003 -4.375 381 HB2 ARG 53 1HB ARG 53 -10.945 -2.968 -1.648 382 HB3 ARG 53 2HB ARG 53 -10.109 -1.924 -2.781 383 HG2 ARG 53 1HG ARG 53 -12.861 -2.864 -3.557 384 HG3 ARG 53 2HG ARG 53 -12.757 -1.682 -2.267 385 HD2 ARG 53 1HD ARG 53 -11.229 -0.304 -3.844 386 HD3 ARG 53 2HD ARG 53 -11.712 -1.403 -5.119 387 HE ARG 53 HE ARG 53 -13.406 0.622 -3.809 388 HH11 ARG 53 2HH2 ARG 53 -13.313 -2.234 -5.862 389 HH12 ARG 53 1HH2 ARG 53 -14.868 -1.937 -6.564 390 HH21 ARG 53 2HH1 ARG 53 -15.458 1.014 -4.734 391 HH22 ARG 53 1HH1 ARG 53 -16.097 -0.077 -5.918 392 H THR 54 H THR 54 -9.678 -2.233 -5.350 393 HA THR 54 HA THR 54 -6.893 -2.539 -4.778 394 HB THR 54 HB THR 54 -8.129 -3.812 -7.271 395 HG1 THR 54 1HG THR 54 -6.876 -5.608 -6.277 396 HG21 THR 54 1HG2 THR 54 -5.697 -4.395 -7.784 397 HG22 THR 54 2HG2 THR 54 -6.089 -2.675 -8.017 398 HG23 THR 54 3HG2 THR 54 -5.215 -3.198 -6.557 399 H GLY 55 H GLY 55 -5.566 -1.276 -6.496 400 HA2 GLY 55 1HA GLY 55 -5.966 0.422 -8.287 401 HA3 GLY 55 2HA GLY 55 -7.165 1.108 -7.209 402 H TRP 56 H TRP 56 -5.560 3.022 -7.669 403 HA TRP 56 HA TRP 56 -3.245 2.869 -5.892 404 HB2 TRP 56 1HB TRP 56 -4.030 4.858 -8.027 405 HB3 TRP 56 2HB TRP 56 -2.635 5.033 -6.980 406 HD1 TRP 56 HD TRP 56 -3.931 2.219 -9.387 407 HE1 TRP 56 1HE TRP 56 -1.921 1.171 -10.737 408 HE3 TRP 56 3HE TRP 56 -0.310 5.047 -7.208 409 HZ2 TRP 56 2HZ TRP 56 0.896 1.633 -10.742 410 HZ3 TRP 56 3HZ TRP 56 2.044 4.685 -7.943 411 HH2 TRP 56 HH TRP 56 2.672 3.048 -9.645 412 H PHE 57 H PHE 57 -2.904 4.721 -4.370 413 HA PHE 57 HA PHE 57 -5.085 6.453 -3.820 414 HB2 PHE 57 1HB PHE 57 -5.609 5.443 -1.594 415 HB3 PHE 57 2HB PHE 57 -5.885 4.258 -2.854 416 HD1 PHE 57 1HD PHE 57 -4.420 2.329 -3.094 417 HD2 PHE 57 2HD PHE 57 -3.753 5.198 -0.040 418 HE1 PHE 57 1HE PHE 57 -2.877 0.728 -1.927 419 HE2 PHE 57 2HE PHE 57 -2.210 3.599 1.128 420 HZ PHE 57 HZ PHE 57 -1.792 1.383 0.170 421 HA PRO 58 HA PRO 58 -1.879 8.524 -1.776 422 HB2 PRO 58 1HB PRO 58 -3.196 10.081 0.043 423 HB3 PRO 58 2HB PRO 58 -3.082 10.484 -1.659 424 HG2 PRO 58 1HG PRO 58 -5.395 9.416 -0.159 425 HG3 PRO 58 2HG PRO 58 -5.372 10.212 -1.720 426 HD2 PRO 58 1HD PRO 58 -5.653 7.400 -1.231 427 HD3 PRO 58 2HD PRO 58 -5.514 8.184 -2.793 428 H SER 59 H SER 59 -0.314 7.582 -0.643 429 HA SER 59 HA SER 59 -1.101 5.942 1.521 430 HB2 SER 59 1HB SER 59 1.447 5.737 1.819 431 HB3 SER 59 2HB SER 59 0.787 5.185 0.292 432 HG SER 59 HG SER 59 1.666 6.892 -0.778 433 H ASN 60 H ASN 60 0.482 9.155 1.106 434 HA ASN 60 HA ASN 60 1.310 9.607 3.631 435 HB2 ASN 60 1HB ASN 60 1.032 11.118 1.312 436 HB3 ASN 60 2HB ASN 60 -0.102 11.922 2.378 437 HD21 ASN 60 1HD2 ASN 60 0.589 13.027 4.154 438 HD22 ASN 60 2HD2 ASN 60 2.249 13.389 4.492 439 H TYR 61 H TYR 61 -1.988 9.788 2.211 440 HA TYR 61 HA TYR 61 -3.224 11.080 4.388 441 HB2 TYR 61 1HB TYR 61 -4.013 9.251 2.057 442 HB3 TYR 61 2HB TYR 61 -5.239 9.790 3.187 443 HD1 TYR 61 1HD TYR 61 -2.341 11.561 1.580 444 HD2 TYR 61 2HD TYR 61 -6.576 11.386 2.164 445 HE1 TYR 61 1HE TYR 61 -2.620 13.714 0.257 446 HE2 TYR 61 2HE TYR 61 -6.840 13.541 0.840 447 HH TYR 61 HH TYR 61 -4.127 15.479 -0.009 448 H VAL 62 H VAL 62 -3.400 7.600 3.328 449 HA VAL 62 HA VAL 62 -4.634 6.773 5.709 450 HB VAL 62 HB VAL 62 -4.490 4.637 4.827 451 HG11 VAL 62 1HG1 VAL 62 -5.469 6.557 3.274 452 HG12 VAL 62 2HG1 VAL 62 -4.153 6.027 2.199 453 HG13 VAL 62 3HG1 VAL 62 -5.391 4.864 2.729 454 HG21 VAL 62 1HG2 VAL 62 -2.800 3.914 3.157 455 HG22 VAL 62 2HG2 VAL 62 -2.018 5.507 3.294 456 HG23 VAL 62 3HG2 VAL 62 -2.074 4.420 4.701 457 H ARG 63 H ARG 63 -3.701 5.312 7.375 458 HA ARG 63 HA ARG 63 -1.101 6.325 8.085 459 HB2 ARG 63 1HB ARG 63 -3.305 6.051 9.609 460 HB3 ARG 63 2HB ARG 63 -2.674 4.433 9.845 461 HG2 ARG 63 1HG ARG 63 -0.732 5.193 10.939 462 HG3 ARG 63 2HG ARG 63 -0.782 6.766 10.170 463 HD2 ARG 63 1HD ARG 63 -1.695 7.519 12.123 464 HD3 ARG 63 2HD ARG 63 -3.178 6.755 11.588 465 HE ARG 63 HE ARG 63 -1.317 5.738 13.635 466 HH11 ARG 63 2HH2 ARG 63 -4.019 4.997 11.507 467 HH12 ARG 63 1HH2 ARG 63 -4.543 3.632 12.436 468 HH21 ARG 63 2HH1 ARG 63 -2.007 3.937 14.862 469 HH22 ARG 63 1HH1 ARG 63 -3.391 3.025 14.357 470 H GLU 64 H GLU 64 0.539 4.738 9.044 471 HA GLU 64 HA GLU 64 0.402 2.265 7.515 472 HB2 GLU 64 1HB GLU 64 2.350 3.309 6.782 473 HB3 GLU 64 2HB GLU 64 2.645 4.096 8.320 474 HG2 GLU 64 1HG GLU 64 3.791 2.292 9.186 475 HG3 GLU 64 2HG GLU 64 2.745 1.117 8.415 476 H ILE 65 H ILE 65 0.671 0.255 8.542 477 HA ILE 65 HA ILE 65 0.596 0.402 11.465 478 HB ILE 65 HB ILE 65 -0.260 -1.802 9.585 479 HG12 ILE 65 1HG1 ILE 65 -1.824 -0.109 9.243 480 HG13 ILE 65 2HG1 ILE 65 -2.566 -1.114 10.471 481 HG21 ILE 65 1HG2 ILE 65 -1.457 -2.135 12.093 482 HG22 ILE 65 2HG2 ILE 65 -0.170 -3.126 11.365 483 HG23 ILE 65 3HG2 ILE 65 0.251 -1.766 12.434 484 HD11 ILE 65 1HD1 ILE 65 -2.860 1.100 11.283 485 HD12 ILE 65 2HD1 ILE 65 -1.463 0.490 12.204 486 HD13 ILE 65 3HD1 ILE 65 -1.210 1.581 10.819 487 H LYS 66 H LYS 66 2.021 -1.534 8.743 488 HA LYS 66 HA LYS 66 3.736 -3.059 10.220 489 HB2 LYS 66 1HB LYS 66 3.725 -2.013 7.418 490 HB3 LYS 66 2HB LYS 66 5.188 -2.777 8.006 491 HG2 LYS 66 1HG LYS 66 2.726 -4.274 8.707 492 HG3 LYS 66 2HG LYS 66 2.965 -4.111 6.979 493 HD2 LYS 66 1HD LYS 66 4.181 -6.067 7.438 494 HD3 LYS 66 2HD LYS 66 5.444 -4.853 7.482 495 HE2 LYS 66 1HE LYS 66 5.746 -5.042 9.766 496 HE3 LYS 66 2HE LYS 66 4.041 -5.298 10.082 497 HZ1 LYS 66 1HZ LYS 66 6.079 -7.228 9.432 498 HZ2 LYS 66 2HZ LYS 66 4.785 -7.370 10.418 499 HZ3 LYS 66 3HZ LYS 66 4.599 -7.513 8.802 500 H SER 67 H SER 67 5.406 -2.647 11.561 501 HA SER 67 HA SER 67 6.392 0.063 11.586 502 HB2 SER 67 1HB SER 67 5.992 -2.032 13.544 503 HB3 SER 67 2HB SER 67 7.677 -1.553 13.577 504 HG SER 67 HG SER 67 7.147 0.330 14.460 505 H SER 68 H SER 68 7.168 -2.988 10.228 506 HA SER 68 HA SER 68 10.011 -2.511 10.338 507 HB2 SER 68 1HB SER 68 8.244 -4.817 9.838 508 HB3 SER 68 2HB SER 68 9.564 -4.733 8.689 509 HG SER 68 HG SER 68 9.618 -5.484 11.329 510 H GLU 69 H GLU 69 7.338 -1.589 8.459 511 HA GLU 69 HA GLU 69 8.882 -1.568 6.004 512 HB2 GLU 69 1HB GLU 69 5.936 -1.089 6.601 513 HB3 GLU 69 2HB GLU 69 6.635 -0.766 5.026 514 HG2 GLU 69 1HG GLU 69 6.859 -3.468 6.429 515 HG3 GLU 69 2HG GLU 69 5.578 -3.079 5.298 516 H ARG 70 H ARG 70 7.459 0.516 8.517 517 HA ARG 70 HA ARG 70 7.532 2.902 7.194 518 HB2 ARG 70 1HB ARG 70 6.906 2.070 9.751 519 HB3 ARG 70 2HB ARG 70 8.385 2.958 10.061 520 HG2 ARG 70 1HG ARG 70 7.355 4.877 8.652 521 HG3 ARG 70 2HG ARG 70 5.840 4.001 8.751 522 HD2 ARG 70 1HD ARG 70 6.629 3.984 11.404 523 HD3 ARG 70 2HD ARG 70 7.291 5.516 10.870 524 HE ARG 70 HE ARG 70 4.498 4.920 11.272 525 HH11 ARG 70 2HH2 ARG 70 6.651 6.741 9.169 526 HH12 ARG 70 1HH2 ARG 70 5.453 7.920 8.749 527 HH21 ARG 70 2HH1 ARG 70 2.916 6.474 10.719 528 HH22 ARG 70 1HH1 ARG 70 3.315 7.766 9.638 529 H SER 71 H SER 71 10.051 1.464 9.402 530 HA SER 71 HA SER 71 11.920 3.449 8.524 531 HB2 SER 71 1HB SER 71 11.696 1.506 10.731 532 HB3 SER 71 2HB SER 71 13.316 1.575 10.070 533 HG SER 71 HG SER 71 11.779 3.655 11.314 534 H GLY 72 H GLY 72 10.702 0.973 6.906 535 HA2 GLY 72 1HA GLY 72 13.250 0.323 5.610 536 HA3 GLY 72 2HA GLY 72 12.266 -0.998 6.208 537 HA PRO 73 HA PRO 73 9.967 1.172 2.645 538 HB2 PRO 73 1HB PRO 73 11.428 2.765 0.973 539 HB3 PRO 73 2HB PRO 73 10.451 3.395 2.285 540 HG2 PRO 73 1HG PRO 73 13.390 3.120 2.131 541 HG3 PRO 73 2HG PRO 73 12.435 4.111 3.216 542 HD2 PRO 73 1HD PRO 73 13.728 1.631 3.849 543 HD3 PRO 73 2HD PRO 73 12.679 2.563 4.898 544 H SER 74 H SER 74 10.760 -1.278 2.707 545 HA SER 74 HA SER 74 10.996 -2.990 1.378 546 HB2 SER 74 1HB SER 74 9.920 -1.430 -0.390 547 HB3 SER 74 2HB SER 74 11.543 -1.174 -0.999 548 HG SER 74 HG SER 74 9.961 -3.563 -1.000 549 H SER 75 H SER 75 13.210 -0.527 -0.146 550 HA SER 75 HA SER 75 15.458 -1.773 1.073 551 HB2 SER 75 1HB SER 75 16.597 -2.270 -1.130 552 HB3 SER 75 2HB SER 75 15.256 -3.334 -0.755 553 HG SER 75 HG SER 75 15.587 -1.731 -2.929 554 H GLY 76 H GLY 76 14.433 0.273 -1.762 555 HA2 GLY 76 1HA GLY 76 15.032 2.733 -0.876 556 HA3 GLY 76 2HA GLY 76 16.618 2.121 -1.300 Start of MODEL 2 1 H1 GLY 1 H GLY 1 4.426 -25.587 -13.019 2 HA2 GLY 1 1HA GLY 1 4.827 -23.307 -12.900 3 HA3 GLY 1 2HA GLY 1 3.840 -23.038 -14.323 4 H SER 2 H SER 2 3.896 -22.138 -11.261 5 HA SER 2 HA SER 2 1.175 -21.621 -11.142 6 HB2 SER 2 1HB SER 2 0.627 -22.971 -9.072 7 HB3 SER 2 2HB SER 2 0.813 -23.925 -10.531 8 HG SER 2 HG SER 2 1.933 -24.734 -8.536 9 H SER 3 H SER 3 1.764 -19.508 -10.592 10 HA SER 3 HA SER 3 2.822 -19.225 -7.925 11 HB2 SER 3 1HB SER 3 4.394 -17.387 -8.766 12 HB3 SER 3 2HB SER 3 4.875 -19.034 -9.127 13 HG SER 3 HG SER 3 3.696 -17.090 -10.903 14 H GLY 4 H GLY 4 2.703 -16.750 -7.286 15 HA2 GLY 4 1HA GLY 4 0.730 -15.241 -8.797 16 HA3 GLY 4 2HA GLY 4 0.206 -15.820 -7.228 17 H SER 5 H SER 5 2.494 -13.701 -8.958 18 HA SER 5 HA SER 5 3.641 -11.965 -8.347 19 HB2 SER 5 1HB SER 5 1.305 -11.438 -7.268 20 HB3 SER 5 2HB SER 5 2.101 -11.766 -5.741 21 HG SER 5 HG SER 5 3.598 -10.068 -7.374 22 H SER 6 H SER 6 5.594 -13.234 -8.073 23 HA SER 6 HA SER 6 6.133 -14.242 -5.448 24 HB2 SER 6 1HB SER 6 8.016 -14.125 -7.841 25 HB3 SER 6 2HB SER 6 8.162 -15.160 -6.433 26 HG SER 6 HG SER 6 5.726 -15.368 -7.868 27 H GLY 7 H GLY 7 7.956 -13.530 -4.117 28 HA2 GLY 7 1HA GLY 7 9.379 -12.029 -3.226 29 HA3 GLY 7 2HA GLY 7 9.581 -11.320 -4.816 30 H SER 8 H SER 8 9.584 -9.171 -3.861 31 HA SER 8 HA SER 8 8.663 -7.269 -3.370 32 HB2 SER 8 1HB SER 8 6.565 -8.662 -4.800 33 HB3 SER 8 2HB SER 8 5.830 -7.686 -3.543 34 HG SER 8 HG SER 8 7.516 -6.838 -5.720 35 H HIS 9 H HIS 9 7.426 -6.105 -1.625 36 HA HIS 9 HA HIS 9 6.612 -7.944 0.503 37 HB2 HIS 9 1HB HIS 9 8.222 -5.404 0.881 38 HB3 HIS 9 2HB HIS 9 7.686 -6.496 2.143 39 HD1 HIS 9 1HD HIS 9 10.033 -6.436 -0.868 40 HD2 HIS 9 2HD HIS 9 9.397 -8.599 2.670 41 HE1 HIS 9 1HE HIS 9 12.016 -8.027 -0.635 42 H GLN 10 H GLN 10 4.538 -7.607 1.114 43 HA GLN 10 HA GLN 10 3.184 -5.338 0.085 44 HB2 GLN 10 1HB GLN 10 1.213 -6.368 1.336 45 HB3 GLN 10 2HB GLN 10 1.957 -7.394 0.128 46 HG2 GLN 10 1HG GLN 10 3.220 -7.667 2.790 47 HG3 GLN 10 2HG GLN 10 1.515 -8.074 2.806 48 HE21 GLN 10 1HE2 GLN 10 3.916 -9.739 3.088 49 HE22 GLN 10 2HE2 GLN 10 3.818 -10.981 1.884 50 H LEU 11 H LEU 11 2.094 -3.668 1.327 51 HA LEU 11 HA LEU 11 3.254 -3.341 4.008 52 HB2 LEU 11 1HB LEU 11 3.755 -1.777 1.840 53 HB3 LEU 11 2HB LEU 11 2.383 -0.939 2.536 54 HG LEU 11 HG LEU 11 5.048 -1.516 3.848 55 HD11 LEU 11 1HD1 LEU 11 3.698 0.917 2.740 56 HD12 LEU 11 2HD1 LEU 11 4.807 1.089 4.122 57 HD13 LEU 11 3HD1 LEU 11 5.388 0.378 2.597 58 HD21 LEU 11 1HD2 LEU 11 3.712 -1.807 5.686 59 HD22 LEU 11 2HD2 LEU 11 3.920 -0.040 5.719 60 HD23 LEU 11 3HD2 LEU 11 2.423 -0.749 5.064 61 H ILE 12 H ILE 12 1.829 -3.234 5.668 62 HA ILE 12 HA ILE 12 -0.992 -3.161 4.945 63 HB ILE 12 HB ILE 12 0.511 -4.013 7.412 64 HG12 ILE 12 1HG1 ILE 12 -1.236 -6.013 6.507 65 HG13 ILE 12 2HG1 ILE 12 -0.525 -5.350 5.049 66 HG21 ILE 12 1HG2 ILE 12 -1.682 -4.629 8.374 67 HG22 ILE 12 2HG2 ILE 12 -1.474 -2.872 8.185 68 HG23 ILE 12 3HG2 ILE 12 -2.486 -3.776 7.034 69 HD11 ILE 12 1HD1 ILE 12 1.674 -5.901 5.697 70 HD12 ILE 12 2HD1 ILE 12 1.250 -5.970 7.424 71 HD13 ILE 12 3HD1 ILE 12 0.732 -7.274 6.328 72 H VAL 13 H VAL 13 -1.905 -1.181 4.837 73 HA VAL 13 HA VAL 13 -1.218 0.686 6.992 74 HB VAL 13 HB VAL 13 -1.221 2.516 5.432 75 HG11 VAL 13 1HG1 VAL 13 0.904 2.213 4.583 76 HG12 VAL 13 2HG1 VAL 13 0.836 0.908 5.791 77 HG13 VAL 13 3HG1 VAL 13 0.581 0.540 4.069 78 HG21 VAL 13 1HG2 VAL 13 -2.875 1.610 3.834 79 HG22 VAL 13 2HG2 VAL 13 -1.414 2.219 3.019 80 HG23 VAL 13 3HG2 VAL 13 -1.650 0.467 3.230 81 H LYS 14 H LYS 14 -2.961 2.002 7.722 82 HA LYS 14 HA LYS 14 -5.564 0.992 6.828 83 HB2 LYS 14 1HB LYS 14 -4.790 0.644 9.236 84 HB3 LYS 14 2HB LYS 14 -4.954 2.376 9.447 85 HG2 LYS 14 1HG LYS 14 -7.101 1.780 10.055 86 HG3 LYS 14 2HG LYS 14 -7.368 1.914 8.328 87 HD2 LYS 14 1HD LYS 14 -8.281 -0.203 8.794 88 HD3 LYS 14 2HD LYS 14 -6.671 -0.620 8.241 89 HE2 LYS 14 1HE LYS 14 -5.875 -1.016 10.466 90 HE3 LYS 14 2HE LYS 14 -7.211 -0.147 11.195 91 HZ1 LYS 14 1HZ LYS 14 -7.708 -2.387 11.423 92 HZ2 LYS 14 2HZ LYS 14 -8.650 -1.915 10.175 93 HZ3 LYS 14 3HZ LYS 14 -7.285 -2.766 9.892 94 H ALA 15 H ALA 15 -7.242 2.452 6.303 95 HA ALA 15 HA ALA 15 -6.401 4.806 5.055 96 HB1 ALA 15 1HB ALA 15 -9.012 3.492 5.753 97 HB2 ALA 15 2HB ALA 15 -9.032 5.187 5.210 98 HB3 ALA 15 3HB ALA 15 -8.345 3.924 4.159 99 H ARG 16 H ARG 16 -7.696 6.987 5.619 100 HA ARG 16 HA ARG 16 -7.131 7.421 8.440 101 HB2 ARG 16 1HB ARG 16 -5.673 8.756 6.997 102 HB3 ARG 16 2HB ARG 16 -7.032 9.315 6.044 103 HG2 ARG 16 1HG ARG 16 -7.959 10.357 8.223 104 HG3 ARG 16 2HG ARG 16 -6.401 10.011 8.945 105 HD2 ARG 16 1HD ARG 16 -5.603 11.249 6.613 106 HD3 ARG 16 2HD ARG 16 -7.128 12.064 6.900 107 HE ARG 16 HE ARG 16 -5.544 11.908 9.331 108 HH11 ARG 16 2HH2 ARG 16 -5.907 13.690 6.319 109 HH12 ARG 16 1HH2 ARG 16 -5.189 15.138 6.941 110 HH21 ARG 16 2HH1 ARG 16 -4.597 13.818 10.153 111 HH22 ARG 16 1HH1 ARG 16 -4.439 15.212 9.136 112 H PHE 17 H PHE 17 -9.255 8.503 5.690 113 HA PHE 17 HA PHE 17 -11.498 8.528 7.525 114 HB2 PHE 17 1HB PHE 17 -12.008 10.853 7.054 115 HB3 PHE 17 2HB PHE 17 -10.288 10.844 7.388 116 HD1 PHE 17 1HD PHE 17 -12.772 10.882 4.642 117 HD2 PHE 17 2HD PHE 17 -8.736 11.560 5.763 118 HE1 PHE 17 1HE PHE 17 -12.335 11.957 2.416 119 HE2 PHE 17 2HE PHE 17 -8.298 12.634 3.537 120 HZ PHE 17 HZ PHE 17 -10.103 12.820 1.891 121 H ASN 18 H ASN 18 -13.590 9.148 6.178 122 HA ASN 18 HA ASN 18 -13.926 7.237 4.294 123 HB2 ASN 18 1HB ASN 18 -15.361 9.928 4.575 124 HB3 ASN 18 2HB ASN 18 -15.959 8.615 3.581 125 HD21 ASN 18 1HD2 ASN 18 -17.787 8.190 4.682 126 HD22 ASN 18 2HD2 ASN 18 -17.857 7.557 6.293 127 H PHE 19 H PHE 19 -12.498 7.132 2.509 128 HA PHE 19 HA PHE 19 -12.162 9.604 0.968 129 HB2 PHE 19 1HB PHE 19 -10.065 8.594 1.771 130 HB3 PHE 19 2HB PHE 19 -10.599 6.987 1.320 131 HD1 PHE 19 1HD PHE 19 -10.587 6.291 -1.039 132 HD2 PHE 19 2HD PHE 19 -9.110 10.090 0.142 133 HE1 PHE 19 1HE PHE 19 -9.422 6.526 -3.250 134 HE2 PHE 19 2HE PHE 19 -7.946 10.325 -2.070 135 HZ PHE 19 HZ PHE 19 -8.116 8.540 -3.738 136 H LYS 20 H LYS 20 -13.340 9.760 -0.876 137 HA LYS 20 HA LYS 20 -14.544 7.360 -1.942 138 HB2 LYS 20 1HB LYS 20 -15.944 9.309 -1.682 139 HB3 LYS 20 2HB LYS 20 -14.839 10.299 -2.613 140 HG2 LYS 20 1HG LYS 20 -15.961 9.715 -4.492 141 HG3 LYS 20 2HG LYS 20 -15.401 8.068 -4.279 142 HD2 LYS 20 1HD LYS 20 -17.463 7.348 -3.640 143 HD3 LYS 20 2HD LYS 20 -17.630 8.638 -2.466 144 HE2 LYS 20 1HE LYS 20 -18.021 10.142 -4.651 145 HE3 LYS 20 2HE LYS 20 -18.444 8.605 -5.377 146 HZ1 LYS 20 1HZ LYS 20 -20.205 8.350 -3.960 147 HZ2 LYS 20 2HZ LYS 20 -19.607 9.344 -2.810 148 HZ3 LYS 20 3HZ LYS 20 -20.228 9.967 -4.186 149 H GLN 21 H GLN 21 -14.054 6.382 -3.900 150 HA GLN 21 HA GLN 21 -11.451 6.988 -4.879 151 HB2 GLN 21 1HB GLN 21 -11.731 4.981 -6.246 152 HB3 GLN 21 2HB GLN 21 -12.275 4.650 -4.613 153 HG2 GLN 21 1HG GLN 21 -14.655 5.286 -5.459 154 HG3 GLN 21 2HG GLN 21 -13.987 5.176 -7.075 155 HE21 GLN 21 1HE2 GLN 21 -12.291 3.122 -7.017 156 HE22 GLN 21 2HE2 GLN 21 -13.078 1.626 -6.637 157 H THR 22 H THR 22 -10.895 7.689 -7.021 158 HA THR 22 HA THR 22 -12.883 9.426 -8.181 159 HB THR 22 HB THR 22 -10.478 10.079 -7.865 160 HG1 THR 22 1HG THR 22 -11.239 9.615 -10.660 161 HG21 THR 22 1HG2 THR 22 -8.711 9.048 -9.054 162 HG22 THR 22 2HG2 THR 22 -9.679 7.635 -8.570 163 HG23 THR 22 3HG2 THR 22 -9.817 8.284 -10.221 164 H ASN 23 H ASN 23 -11.681 6.172 -8.686 165 HA ASN 23 HA ASN 23 -13.611 5.888 -10.766 166 HB2 ASN 23 1HB ASN 23 -10.675 5.992 -11.317 167 HB3 ASN 23 2HB ASN 23 -11.486 4.604 -12.014 168 HD21 ASN 23 1HD2 ASN 23 -10.412 7.472 -12.797 169 HD22 ASN 23 2HD2 ASN 23 -11.585 8.037 -13.941 170 H GLU 24 H GLU 24 -13.077 3.348 -11.677 171 HA GLU 24 HA GLU 24 -13.316 1.822 -9.287 172 HB2 GLU 24 1HB GLU 24 -13.735 -0.073 -10.862 173 HB3 GLU 24 2HB GLU 24 -14.762 1.309 -11.183 174 HG2 GLU 24 1HG GLU 24 -14.014 1.306 -13.322 175 HG3 GLU 24 2HG GLU 24 -12.434 1.777 -12.729 176 H ASP 25 H ASP 25 -10.749 2.803 -11.396 177 HA ASP 25 HA ASP 25 -9.151 0.492 -10.829 178 HB2 ASP 25 1HB ASP 25 -9.201 2.476 -12.835 179 HB3 ASP 25 2HB ASP 25 -7.750 2.842 -11.922 180 H GLU 26 H GLU 26 -10.208 2.830 -8.885 181 HA GLU 26 HA GLU 26 -7.579 3.379 -7.740 182 HB2 GLU 26 1HB GLU 26 -8.547 5.474 -8.388 183 HB3 GLU 26 2HB GLU 26 -10.128 5.030 -7.775 184 HG2 GLU 26 1HG GLU 26 -9.429 5.227 -5.488 185 HG3 GLU 26 2HG GLU 26 -7.730 5.202 -5.915 186 H LEU 27 H LEU 27 -7.425 3.343 -5.361 187 HA LEU 27 HA LEU 27 -9.007 1.212 -4.288 188 HB2 LEU 27 1HB LEU 27 -6.454 2.062 -3.941 189 HB3 LEU 27 2HB LEU 27 -7.215 2.763 -2.527 190 HG LEU 27 HG LEU 27 -6.273 0.623 -1.959 191 HD11 LEU 27 1HD1 LEU 27 -8.890 -0.480 -1.800 192 HD12 LEU 27 2HD1 LEU 27 -7.957 0.367 -0.542 193 HD13 LEU 27 3HD1 LEU 27 -9.029 1.286 -1.626 194 HD21 LEU 27 1HD2 LEU 27 -6.375 -0.284 -4.315 195 HD22 LEU 27 2HD2 LEU 27 -6.780 -1.436 -3.020 196 HD23 LEU 27 3HD2 LEU 27 -8.075 -0.700 -3.995 197 H SER 28 H SER 28 -10.921 1.405 -3.264 198 HA SER 28 HA SER 28 -11.638 4.087 -2.409 199 HB2 SER 28 1HB SER 28 -13.813 3.601 -2.970 200 HB3 SER 28 2HB SER 28 -13.034 2.433 -4.019 201 HG SER 28 HG SER 28 -14.827 1.905 -2.148 202 H VAL 29 H VAL 29 -11.097 4.413 -0.271 203 HA VAL 29 HA VAL 29 -11.728 2.217 1.579 204 HB VAL 29 HB VAL 29 -9.935 3.582 2.972 205 HG11 VAL 29 1HG1 VAL 29 -9.763 1.320 1.078 206 HG12 VAL 29 2HG1 VAL 29 -8.202 2.058 1.512 207 HG13 VAL 29 3HG1 VAL 29 -9.276 1.431 2.786 208 HG21 VAL 29 1HG2 VAL 29 -8.283 4.691 1.767 209 HG22 VAL 29 2HG2 VAL 29 -8.751 3.935 0.225 210 HG23 VAL 29 3HG2 VAL 29 -9.771 5.208 0.938 211 H CYS 30 H CYS 30 -12.837 2.745 3.499 212 HA CYS 30 HA CYS 30 -13.996 5.430 3.434 213 HB2 CYS 30 1HB CYS 30 -15.123 2.760 3.951 214 HB3 CYS 30 2HB CYS 30 -15.578 3.952 5.152 215 HG CYS 30 HG CYS 30 -16.861 5.500 3.780 216 H LYS 31 H LYS 31 -13.648 2.876 5.992 217 HA LYS 31 HA LYS 31 -11.714 4.424 7.421 218 HB2 LYS 31 1HB LYS 31 -14.220 5.331 7.825 219 HB3 LYS 31 2HB LYS 31 -14.198 4.047 9.017 220 HG2 LYS 31 1HG LYS 31 -12.668 5.125 10.351 221 HG3 LYS 31 2HG LYS 31 -11.720 5.688 8.988 222 HD2 LYS 31 1HD LYS 31 -12.579 7.734 9.594 223 HD3 LYS 31 2HD LYS 31 -13.932 7.220 8.606 224 HE2 LYS 31 1HE LYS 31 -14.043 6.242 11.417 225 HE3 LYS 31 2HE LYS 31 -14.114 7.986 11.265 226 HZ1 LYS 31 1HZ LYS 31 -16.046 7.872 10.100 227 HZ2 LYS 31 2HZ LYS 31 -15.776 6.373 9.509 228 HZ3 LYS 31 3HZ LYS 31 -16.239 6.568 11.063 229 H GLY 32 H GLY 32 -10.546 3.124 8.828 230 HA2 GLY 32 1HA GLY 32 -9.776 1.203 9.703 231 HA3 GLY 32 2HA GLY 32 -11.444 0.820 10.080 232 H ASP 33 H ASP 33 -9.299 0.984 7.140 233 HA ASP 33 HA ASP 33 -10.195 -1.702 6.531 234 HB2 ASP 33 1HB ASP 33 -10.126 0.609 4.531 235 HB3 ASP 33 2HB ASP 33 -10.443 -1.064 4.114 236 H ILE 34 H ILE 34 -8.057 -2.478 7.043 237 HA ILE 34 HA ILE 34 -5.699 -1.206 6.339 238 HB ILE 34 HB ILE 34 -6.554 -3.814 7.344 239 HG12 ILE 34 1HG1 ILE 34 -5.715 -2.210 8.876 240 HG13 ILE 34 2HG1 ILE 34 -4.498 -3.464 8.749 241 HG21 ILE 34 1HG2 ILE 34 -5.401 -4.666 5.397 242 HG22 ILE 34 2HG2 ILE 34 -3.992 -3.632 5.735 243 HG23 ILE 34 3HG2 ILE 34 -4.414 -4.953 6.851 244 HD11 ILE 34 1HD1 ILE 34 -3.571 -1.852 6.793 245 HD12 ILE 34 2HD1 ILE 34 -4.418 -0.628 7.768 246 HD13 ILE 34 3HD1 ILE 34 -3.130 -1.613 8.501 247 H ILE 35 H ILE 35 -4.403 -1.167 4.524 248 HA ILE 35 HA ILE 35 -5.450 -2.653 2.214 249 HB ILE 35 HB ILE 35 -4.178 0.084 2.163 250 HG12 ILE 35 1HG1 ILE 35 -6.979 -0.011 1.400 251 HG13 ILE 35 2HG1 ILE 35 -6.764 -0.566 3.049 252 HG21 ILE 35 1HG2 ILE 35 -4.898 0.150 -0.147 253 HG22 ILE 35 2HG2 ILE 35 -3.880 -1.283 0.127 254 HG23 ILE 35 3HG2 ILE 35 -5.647 -1.457 0.007 255 HD11 ILE 35 1HD1 ILE 35 -5.971 2.107 1.847 256 HD12 ILE 35 2HD1 ILE 35 -6.993 1.786 3.267 257 HD13 ILE 35 3HD1 ILE 35 -5.235 1.526 3.360 258 H TYR 36 H TYR 36 -3.912 -3.609 0.821 259 HA TYR 36 HA TYR 36 -1.277 -3.873 2.068 260 HB2 TYR 36 1HB TYR 36 -2.850 -5.403 -0.098 261 HB3 TYR 36 2HB TYR 36 -1.265 -5.891 0.465 262 HD1 TYR 36 2HD TYR 36 -1.297 -5.811 3.304 263 HD2 TYR 36 1HD TYR 36 -4.510 -6.821 0.667 264 HE1 TYR 36 2HE TYR 36 -2.380 -7.192 5.144 265 HE2 TYR 36 1HE TYR 36 -5.584 -8.198 2.515 266 HH TYR 36 HH TYR 36 -3.938 -9.137 5.250 267 H VAL 37 H VAL 37 0.258 -2.518 1.280 268 HA VAL 37 HA VAL 37 -0.015 -1.496 -1.405 269 HB VAL 37 HB VAL 37 2.226 -1.035 0.560 270 HG11 VAL 37 1HG1 VAL 37 2.683 0.927 -0.649 271 HG12 VAL 37 2HG1 VAL 37 2.341 -0.287 -1.904 272 HG13 VAL 37 3HG1 VAL 37 1.099 0.908 -1.461 273 HG21 VAL 37 1HG2 VAL 37 0.583 -0.322 1.958 274 HG22 VAL 37 2HG2 VAL 37 0.658 1.131 0.933 275 HG23 VAL 37 3HG2 VAL 37 -0.595 -0.100 0.643 276 H THR 38 H THR 38 0.735 -2.575 -3.146 277 HA THR 38 HA THR 38 2.935 -4.477 -2.693 278 HB THR 38 HB THR 38 0.960 -5.613 -3.492 279 HG1 THR 38 1HG THR 38 2.623 -6.326 -4.828 280 HG21 THR 38 1HG2 THR 38 -0.196 -4.874 -5.597 281 HG22 THR 38 2HG2 THR 38 -0.362 -3.665 -4.300 282 HG23 THR 38 3HG2 THR 38 0.811 -3.406 -5.614 283 H ARG 39 H ARG 39 1.718 -1.873 -4.868 284 HA ARG 39 HA ARG 39 3.941 -1.951 -6.525 285 HB2 ARG 39 1HB ARG 39 1.678 -0.812 -6.955 286 HB3 ARG 39 2HB ARG 39 2.205 0.490 -5.907 287 HG2 ARG 39 1HG ARG 39 2.866 1.328 -7.984 288 HG3 ARG 39 2HG ARG 39 4.344 0.533 -7.479 289 HD2 ARG 39 1HD ARG 39 2.403 -1.220 -8.927 290 HD3 ARG 39 2HD ARG 39 3.093 0.072 -9.888 291 HE ARG 39 HE ARG 39 5.119 -1.339 -8.335 292 HH11 ARG 39 2HH2 ARG 39 3.229 -1.439 -11.302 293 HH12 ARG 39 1HH2 ARG 39 4.373 -2.425 -12.149 294 HH21 ARG 39 2HH1 ARG 39 6.629 -2.641 -9.452 295 HH22 ARG 39 1HH1 ARG 39 6.320 -3.114 -11.090 296 H VAL 40 H VAL 40 3.034 0.685 -4.172 297 HA VAL 40 HA VAL 40 4.248 1.925 -2.802 298 HB VAL 40 HB VAL 40 6.410 -0.156 -3.185 299 HG11 VAL 40 1HG1 VAL 40 6.455 1.005 -0.590 300 HG12 VAL 40 2HG1 VAL 40 7.681 1.122 -1.874 301 HG13 VAL 40 3HG1 VAL 40 6.386 2.338 -1.767 302 HG21 VAL 40 1HG2 VAL 40 4.135 -0.979 -2.375 303 HG22 VAL 40 2HG2 VAL 40 5.529 -1.332 -1.326 304 HG23 VAL 40 3HG2 VAL 40 4.416 -0.006 -0.912 305 H GLU 41 H GLU 41 4.095 3.499 -4.586 306 HA GLU 41 HA GLU 41 6.643 3.785 -5.970 307 HB2 GLU 41 1HB GLU 41 3.835 4.728 -6.658 308 HB3 GLU 41 2HB GLU 41 5.249 5.370 -7.470 309 HG2 GLU 41 1HG GLU 41 5.226 2.406 -7.312 310 HG3 GLU 41 2HG GLU 41 3.873 3.066 -8.211 311 H GLU 42 H GLU 42 7.590 5.963 -6.135 312 HA GLU 42 HA GLU 42 6.883 7.517 -3.787 313 HB2 GLU 42 1HB GLU 42 9.133 8.462 -3.933 314 HB3 GLU 42 2HB GLU 42 9.234 6.713 -3.990 315 HG2 GLU 42 1HG GLU 42 9.469 6.762 -6.449 316 HG3 GLU 42 2HG GLU 42 9.228 8.498 -6.470 317 H GLY 43 H GLY 43 6.226 7.402 -7.073 318 HA2 GLY 43 1HA GLY 43 6.638 9.925 -8.088 319 HA3 GLY 43 2HA GLY 43 5.295 8.875 -8.495 320 H GLY 44 H GLY 44 3.832 8.715 -6.120 321 HA2 GLY 44 1HA GLY 44 3.413 10.925 -4.590 322 HA3 GLY 44 2HA GLY 44 2.581 11.303 -6.085 323 H TRP 45 H TRP 45 1.978 8.416 -6.699 324 HA TRP 45 HA TRP 45 -0.264 8.170 -4.834 325 HB2 TRP 45 1HB TRP 45 0.186 7.082 -7.615 326 HB3 TRP 45 2HB TRP 45 -1.178 6.649 -6.604 327 HD1 TRP 45 HD TRP 45 0.353 9.991 -7.965 328 HE1 TRP 45 1HE TRP 45 -1.566 11.687 -8.600 329 HE3 TRP 45 3HE TRP 45 -3.490 7.015 -6.472 330 HZ2 TRP 45 2HZ TRP 45 -4.413 11.596 -8.412 331 HZ3 TRP 45 3HZ TRP 45 -5.809 7.895 -6.732 332 HH2 TRP 45 HH TRP 45 -6.300 10.100 -7.662 333 H TRP 46 H TRP 46 -0.882 5.760 -4.395 334 HA TRP 46 HA TRP 46 1.490 4.062 -4.273 335 HB2 TRP 46 1HB TRP 46 0.382 5.460 -2.023 336 HB3 TRP 46 2HB TRP 46 0.133 3.739 -1.814 337 HD1 TRP 46 HD TRP 46 3.306 4.975 -3.619 338 HE1 TRP 46 1HE TRP 46 5.474 4.457 -2.207 339 HE3 TRP 46 3HE TRP 46 0.853 3.402 0.548 340 HZ2 TRP 46 2HZ TRP 46 5.911 3.471 0.435 341 HZ3 TRP 46 3HZ TRP 46 2.225 2.679 2.500 342 HH2 TRP 46 HH TRP 46 4.669 2.696 2.489 343 H GLU 47 H GLU 47 0.910 2.110 -5.125 344 HA GLU 47 HA GLU 47 -1.923 1.564 -5.299 345 HB2 GLU 47 1HB GLU 47 -1.151 1.105 -7.403 346 HB3 GLU 47 2HB GLU 47 0.494 0.845 -6.859 347 HG2 GLU 47 1HG GLU 47 -0.138 -1.409 -5.992 348 HG3 GLU 47 2HG GLU 47 -1.795 -1.148 -6.497 349 H GLY 48 H GLY 48 -2.926 -0.232 -4.337 350 HA2 GLY 48 1HA GLY 48 -1.271 -2.203 -2.968 351 HA3 GLY 48 2HA GLY 48 -2.265 -1.179 -1.951 352 H THR 49 H THR 49 -3.421 -3.173 -1.314 353 HA THR 49 HA THR 49 -5.611 -3.691 -3.165 354 HB THR 49 HB THR 49 -3.489 -5.652 -2.289 355 HG1 THR 49 1HG THR 49 -3.785 -4.789 -4.497 356 HG21 THR 49 1HG2 THR 49 -6.472 -6.191 -2.465 357 HG22 THR 49 2HG2 THR 49 -5.323 -7.412 -3.063 358 HG23 THR 49 3HG2 THR 49 -5.274 -6.904 -1.358 359 H LEU 50 H LEU 50 -7.522 -3.623 -2.153 360 HA LEU 50 HA LEU 50 -7.423 -3.783 0.775 361 HB2 LEU 50 1HB LEU 50 -8.087 -1.622 -0.019 362 HB3 LEU 50 2HB LEU 50 -9.278 -2.317 -1.099 363 HG LEU 50 HG LEU 50 -10.566 -3.128 0.862 364 HD11 LEU 50 1HD1 LEU 50 -8.854 -1.412 2.641 365 HD12 LEU 50 2HD1 LEU 50 -10.007 -2.700 3.070 366 HD13 LEU 50 3HD1 LEU 50 -8.437 -3.117 2.343 367 HD21 LEU 50 1HD2 LEU 50 -10.226 -0.416 -0.028 368 HD22 LEU 50 2HD2 LEU 50 -11.700 -1.257 0.510 369 HD23 LEU 50 3HD2 LEU 50 -10.659 -0.436 1.698 370 H ASN 51 H ASN 51 -9.569 -4.626 1.754 371 HA ASN 51 HA ASN 51 -9.846 -7.217 1.202 372 HB2 ASN 51 1HB ASN 51 -11.819 -5.173 2.291 373 HB3 ASN 51 2HB ASN 51 -12.315 -6.845 2.120 374 HD21 ASN 51 1HD2 ASN 51 -10.299 -4.576 3.784 375 HD22 ASN 51 2HD2 ASN 51 -9.731 -5.610 5.052 376 H GLY 52 H GLY 52 -9.964 -7.717 -1.077 377 HA2 GLY 52 1HA GLY 52 -11.028 -8.201 -3.001 378 HA3 GLY 52 2HA GLY 52 -12.544 -7.790 -2.225 379 H ARG 53 H ARG 53 -9.793 -5.510 -2.433 380 HA ARG 53 HA ARG 53 -11.188 -4.136 -4.567 381 HB2 ARG 53 1HB ARG 53 -10.936 -3.233 -1.792 382 HB3 ARG 53 2HB ARG 53 -10.136 -2.102 -2.865 383 HG2 ARG 53 1HG ARG 53 -12.812 -3.066 -3.791 384 HG3 ARG 53 2HG ARG 53 -12.833 -2.075 -2.346 385 HD2 ARG 53 1HD ARG 53 -12.126 -0.170 -3.464 386 HD3 ARG 53 2HD ARG 53 -11.098 -1.063 -4.567 387 HE ARG 53 HE ARG 53 -12.872 -1.144 -6.079 388 HH11 ARG 53 2HH2 ARG 53 -14.172 -0.610 -2.853 389 HH12 ARG 53 1HH2 ARG 53 -15.803 -0.417 -3.403 390 HH21 ARG 53 2HH1 ARG 53 -15.024 -0.889 -6.806 391 HH22 ARG 53 1HH1 ARG 53 -16.291 -0.577 -5.667 392 H THR 54 H THR 54 -9.709 -2.279 -5.472 393 HA THR 54 HA THR 54 -6.912 -2.483 -4.910 394 HB THR 54 HB THR 54 -8.106 -3.749 -7.424 395 HG1 THR 54 1HG THR 54 -7.524 -5.487 -6.189 396 HG21 THR 54 1HG2 THR 54 -6.100 -2.317 -8.014 397 HG22 THR 54 2HG2 THR 54 -5.168 -3.183 -6.770 398 HG23 THR 54 3HG2 THR 54 -5.781 -4.059 -8.193 399 H GLY 55 H GLY 55 -5.628 -1.029 -6.404 400 HA2 GLY 55 1HA GLY 55 -6.234 0.697 -8.221 401 HA3 GLY 55 2HA GLY 55 -7.297 1.325 -6.978 402 H TRP 56 H TRP 56 -5.647 3.212 -7.616 403 HA TRP 56 HA TRP 56 -3.275 2.971 -5.905 404 HB2 TRP 56 1HB TRP 56 -3.901 4.812 -8.217 405 HB3 TRP 56 2HB TRP 56 -2.506 4.994 -7.173 406 HD1 TRP 56 HD TRP 56 -3.964 1.993 -9.239 407 HE1 TRP 56 1HE TRP 56 -2.021 0.710 -10.483 408 HE3 TRP 56 3HE TRP 56 -0.195 4.915 -7.475 409 HZ2 TRP 56 2HZ TRP 56 0.809 1.053 -10.586 410 HZ3 TRP 56 3HZ TRP 56 2.129 4.372 -8.196 411 HH2 TRP 56 HH TRP 56 2.660 2.517 -9.696 412 H PHE 57 H PHE 57 -3.167 4.202 -4.047 413 HA PHE 57 HA PHE 57 -5.091 6.386 -3.790 414 HB2 PHE 57 1HB PHE 57 -5.590 5.515 -1.485 415 HB3 PHE 57 2HB PHE 57 -5.990 4.308 -2.691 416 HD1 PHE 57 1HD PHE 57 -3.493 5.267 -0.149 417 HD2 PHE 57 2HD PHE 57 -4.872 2.209 -2.749 418 HE1 PHE 57 1HE PHE 57 -2.019 3.606 1.021 419 HE2 PHE 57 2HE PHE 57 -3.399 0.549 -1.578 420 HZ PHE 57 HZ PHE 57 -1.989 1.267 0.293 421 HA PRO 58 HA PRO 58 -1.770 8.425 -1.905 422 HB2 PRO 58 1HB PRO 58 -2.997 10.144 -0.170 423 HB3 PRO 58 2HB PRO 58 -2.884 10.441 -1.893 424 HG2 PRO 58 1HG PRO 58 -5.225 9.568 -0.314 425 HG3 PRO 58 2HG PRO 58 -5.184 10.270 -1.919 426 HD2 PRO 58 1HD PRO 58 -5.585 7.506 -1.264 427 HD3 PRO 58 2HD PRO 58 -5.428 8.191 -2.869 428 H SER 59 H SER 59 -0.182 7.750 -0.618 429 HA SER 59 HA SER 59 -1.016 6.159 1.596 430 HB2 SER 59 1HB SER 59 1.368 5.661 1.857 431 HB3 SER 59 2HB SER 59 0.920 5.523 0.168 432 HG SER 59 HG SER 59 2.188 7.192 -0.350 433 H ASN 60 H ASN 60 -0.041 9.470 0.967 434 HA ASN 60 HA ASN 60 1.052 10.085 3.431 435 HB2 ASN 60 1HB ASN 60 -0.085 11.558 1.102 436 HB3 ASN 60 2HB ASN 60 -0.211 12.437 2.612 437 HD21 ASN 60 1HD2 ASN 60 1.457 13.563 3.271 438 HD22 ASN 60 2HD2 ASN 60 3.096 13.416 2.731 439 H TYR 61 H TYR 61 -2.301 9.884 2.170 440 HA TYR 61 HA TYR 61 -3.518 11.179 4.388 441 HB2 TYR 61 1HB TYR 61 -4.324 9.304 2.094 442 HB3 TYR 61 2HB TYR 61 -5.521 9.829 3.261 443 HD1 TYR 61 1HD TYR 61 -2.759 11.562 1.385 444 HD2 TYR 61 2HD TYR 61 -6.914 11.461 2.399 445 HE1 TYR 61 1HE TYR 61 -3.146 13.687 0.043 446 HE2 TYR 61 2HE TYR 61 -7.287 13.586 1.054 447 HH TYR 61 HH TYR 61 -6.372 14.872 -0.565 448 H VAL 62 H VAL 62 -3.480 7.698 3.315 449 HA VAL 62 HA VAL 62 -4.615 6.782 5.716 450 HB VAL 62 HB VAL 62 -4.377 4.674 4.811 451 HG11 VAL 62 1HG1 VAL 62 -5.297 6.672 3.182 452 HG12 VAL 62 2HG1 VAL 62 -4.095 5.883 2.132 453 HG13 VAL 62 3HG1 VAL 62 -5.427 4.931 2.832 454 HG21 VAL 62 1HG2 VAL 62 -2.001 4.469 4.679 455 HG22 VAL 62 2HG2 VAL 62 -2.645 4.112 3.058 456 HG23 VAL 62 3HG2 VAL 62 -1.900 5.694 3.392 457 H ARG 63 H ARG 63 -3.407 5.094 7.146 458 HA ARG 63 HA ARG 63 -0.783 6.226 7.710 459 HB2 ARG 63 1HB ARG 63 -3.090 6.012 9.391 460 HB3 ARG 63 2HB ARG 63 -1.949 4.825 9.993 461 HG2 ARG 63 1HG ARG 63 -0.208 6.515 10.259 462 HG3 ARG 63 2HG ARG 63 -1.164 7.715 9.413 463 HD2 ARG 63 1HD ARG 63 -1.481 8.245 11.715 464 HD3 ARG 63 2HD ARG 63 -2.947 7.392 11.274 465 HE ARG 63 HE ARG 63 -1.130 5.421 12.169 466 HH11 ARG 63 2HH2 ARG 63 -2.767 8.237 13.498 467 HH12 ARG 63 1HH2 ARG 63 -2.799 7.615 15.115 468 HH21 ARG 63 2HH1 ARG 63 -1.171 4.599 14.301 469 HH22 ARG 63 1HH1 ARG 63 -1.885 5.532 15.574 470 H GLU 64 H GLU 64 0.892 4.712 8.417 471 HA GLU 64 HA GLU 64 0.409 2.079 7.361 472 HB2 GLU 64 1HB GLU 64 2.447 3.026 6.588 473 HB3 GLU 64 2HB GLU 64 2.880 3.635 8.173 474 HG2 GLU 64 1HG GLU 64 3.149 1.274 8.992 475 HG3 GLU 64 2HG GLU 64 2.755 0.684 7.389 476 H ILE 65 H ILE 65 0.798 0.108 8.564 477 HA ILE 65 HA ILE 65 0.542 0.531 11.456 478 HB ILE 65 HB ILE 65 -0.371 -1.746 9.696 479 HG12 ILE 65 1HG1 ILE 65 -1.768 0.211 9.436 480 HG13 ILE 65 2HG1 ILE 65 -2.629 -1.016 10.343 481 HG21 ILE 65 1HG2 ILE 65 -1.441 -2.612 11.773 482 HG22 ILE 65 2HG2 ILE 65 0.338 -2.673 11.791 483 HG23 ILE 65 3HG2 ILE 65 -0.518 -1.404 12.701 484 HD11 ILE 65 1HD1 ILE 65 -1.243 1.452 11.476 485 HD12 ILE 65 2HD1 ILE 65 -2.991 1.115 11.448 486 HD13 ILE 65 3HD1 ILE 65 -1.914 0.148 12.484 487 H LYS 66 H LYS 66 1.974 -1.719 8.988 488 HA LYS 66 HA LYS 66 3.616 -3.087 10.727 489 HB2 LYS 66 1HB LYS 66 3.855 -2.449 7.780 490 HB3 LYS 66 2HB LYS 66 5.007 -3.472 8.614 491 HG2 LYS 66 1HG LYS 66 2.006 -3.986 8.740 492 HG3 LYS 66 2HG LYS 66 3.010 -4.653 7.469 493 HD2 LYS 66 1HD LYS 66 3.636 -5.058 10.426 494 HD3 LYS 66 2HD LYS 66 2.614 -6.159 9.523 495 HE2 LYS 66 1HE LYS 66 4.397 -6.839 8.086 496 HE3 LYS 66 2HE LYS 66 5.371 -5.435 8.476 497 HZ1 LYS 66 1HZ LYS 66 5.352 -7.897 9.742 498 HZ2 LYS 66 2HZ LYS 66 6.281 -6.600 10.085 499 HZ3 LYS 66 3HZ LYS 66 4.841 -6.794 10.832 500 H SER 67 H SER 67 5.075 -2.299 12.141 501 HA SER 67 HA SER 67 6.191 0.269 11.700 502 HB2 SER 67 1HB SER 67 6.520 -1.852 13.846 503 HB3 SER 67 2HB SER 67 7.516 -0.411 13.845 504 HG SER 67 HG SER 67 5.357 0.785 13.693 505 H SER 68 H SER 68 7.014 -3.023 10.902 506 HA SER 68 HA SER 68 9.823 -2.520 10.797 507 HB2 SER 68 1HB SER 68 8.049 -4.826 10.668 508 HB3 SER 68 2HB SER 68 9.188 -4.882 9.338 509 HG SER 68 HG SER 68 10.775 -5.348 10.700 510 H GLU 69 H GLU 69 7.132 -1.736 8.879 511 HA GLU 69 HA GLU 69 8.538 -2.060 6.384 512 HB2 GLU 69 1HB GLU 69 5.733 -1.608 7.235 513 HB3 GLU 69 2HB GLU 69 6.187 -0.708 5.802 514 HG2 GLU 69 1HG GLU 69 5.290 -2.951 5.213 515 HG3 GLU 69 2HG GLU 69 6.951 -2.772 4.687 516 H ARG 70 H ARG 70 7.802 0.369 8.828 517 HA ARG 70 HA ARG 70 8.152 2.586 7.150 518 HB2 ARG 70 1HB ARG 70 7.348 2.132 9.809 519 HB3 ARG 70 2HB ARG 70 8.853 3.012 9.993 520 HG2 ARG 70 1HG ARG 70 7.769 4.557 8.069 521 HG3 ARG 70 2HG ARG 70 6.275 3.902 8.709 522 HD2 ARG 70 1HD ARG 70 6.549 5.801 10.061 523 HD3 ARG 70 2HD ARG 70 7.284 4.568 11.065 524 HE ARG 70 HE ARG 70 9.370 5.524 9.450 525 HH11 ARG 70 2HH2 ARG 70 7.135 6.907 11.791 526 HH12 ARG 70 1HH2 ARG 70 8.229 8.154 12.290 527 HH21 ARG 70 2HH1 ARG 70 10.813 7.169 10.109 528 HH22 ARG 70 1HH1 ARG 70 10.335 8.304 11.327 529 H SER 71 H SER 71 10.287 0.605 9.259 530 HA SER 71 HA SER 71 12.511 2.318 8.532 531 HB2 SER 71 1HB SER 71 11.799 0.857 10.893 532 HB3 SER 71 2HB SER 71 13.265 0.128 10.269 533 HG SER 71 HG SER 71 12.962 2.506 11.583 534 H GLY 72 H GLY 72 10.911 -0.033 7.026 535 HA2 GLY 72 1HA GLY 72 13.346 -1.178 5.856 536 HA3 GLY 72 2HA GLY 72 12.138 -2.274 6.500 537 HA PRO 73 HA PRO 73 10.205 0.014 2.808 538 HB2 PRO 73 1HB PRO 73 11.803 1.565 1.222 539 HB3 PRO 73 2HB PRO 73 10.802 2.216 2.505 540 HG2 PRO 73 1HG PRO 73 13.730 1.811 2.463 541 HG3 PRO 73 2HG PRO 73 12.779 2.828 3.525 542 HD2 PRO 73 1HD PRO 73 13.933 0.281 4.166 543 HD3 PRO 73 2HD PRO 73 12.885 1.244 5.189 544 H SER 74 H SER 74 10.742 -2.453 2.787 545 HA SER 74 HA SER 74 11.163 -4.192 1.560 546 HB2 SER 74 1HB SER 74 11.306 -2.358 -0.867 547 HB3 SER 74 2HB SER 74 10.895 -4.062 -0.854 548 HG SER 74 HG SER 74 8.862 -3.543 -0.456 549 H SER 75 H SER 75 13.159 -5.064 2.037 550 HA SER 75 HA SER 75 15.452 -3.736 0.824 551 HB2 SER 75 1HB SER 75 15.098 -4.213 3.461 552 HB3 SER 75 2HB SER 75 15.798 -5.758 3.020 553 HG SER 75 HG SER 75 17.602 -4.549 2.037 554 H GLY 76 H GLY 76 16.414 -4.811 -0.863 555 HA2 GLY 76 1HA GLY 76 17.037 -6.467 -2.246 556 HA3 GLY 76 2HA GLY 76 16.984 -7.551 -0.870 Start of MODEL 3 1 H1 GLY 1 H GLY 1 5.300 -22.255 -12.234 2 HA2 GLY 1 1HA GLY 1 2.775 -21.755 -11.104 3 HA3 GLY 1 2HA GLY 1 3.584 -22.972 -10.138 4 H SER 2 H SER 2 2.984 -19.787 -10.127 5 HA SER 2 HA SER 2 3.845 -18.079 -9.102 6 HB2 SER 2 1HB SER 2 5.162 -20.313 -7.828 7 HB3 SER 2 2HB SER 2 6.317 -19.002 -7.963 8 HG SER 2 HG SER 2 4.141 -19.243 -6.285 9 H SER 3 H SER 3 4.580 -16.555 -10.542 10 HA SER 3 HA SER 3 7.297 -16.391 -11.118 11 HB2 SER 3 1HB SER 3 7.060 -18.115 -12.749 12 HB3 SER 3 2HB SER 3 5.509 -17.510 -13.298 13 HG SER 3 HG SER 3 6.672 -16.558 -14.829 14 H GLY 4 H GLY 4 7.249 -14.201 -10.639 15 HA2 GLY 4 1HA GLY 4 7.062 -12.029 -11.485 16 HA3 GLY 4 2HA GLY 4 5.669 -12.502 -12.437 17 H SER 5 H SER 5 3.587 -12.937 -11.315 18 HA SER 5 HA SER 5 2.806 -10.971 -9.701 19 HB2 SER 5 1HB SER 5 1.613 -13.189 -10.780 20 HB3 SER 5 2HB SER 5 1.556 -13.612 -9.080 21 HG SER 5 HG SER 5 0.693 -11.247 -8.877 22 H SER 6 H SER 6 3.730 -14.306 -8.559 23 HA SER 6 HA SER 6 3.601 -13.576 -5.864 24 HB2 SER 6 1HB SER 6 3.366 -15.903 -6.548 25 HB3 SER 6 2HB SER 6 4.951 -15.902 -7.295 26 HG SER 6 HG SER 6 4.242 -16.244 -4.615 27 H GLY 7 H GLY 7 5.120 -12.608 -4.535 28 HA2 GLY 7 1HA GLY 7 7.470 -12.491 -3.921 29 HA3 GLY 7 2HA GLY 7 7.858 -12.325 -5.621 30 H SER 8 H SER 8 5.755 -10.768 -3.093 31 HA SER 8 HA SER 8 6.904 -8.246 -3.784 32 HB2 SER 8 1HB SER 8 4.387 -9.048 -4.943 33 HB3 SER 8 2HB SER 8 4.064 -7.772 -3.785 34 HG SER 8 HG SER 8 6.220 -7.498 -5.668 35 H HIS 9 H HIS 9 7.171 -7.131 -1.876 36 HA HIS 9 HA HIS 9 5.988 -8.218 0.482 37 HB2 HIS 9 1HB HIS 9 7.711 -5.750 0.131 38 HB3 HIS 9 2HB HIS 9 7.339 -6.548 1.647 39 HD1 HIS 9 1HD HIS 9 7.892 -9.484 1.012 40 HD2 HIS 9 2HD HIS 9 10.339 -6.344 -0.311 41 HE1 HIS 9 1HE HIS 9 10.184 -10.508 0.553 42 H GLN 10 H GLN 10 3.962 -7.749 1.157 43 HA GLN 10 HA GLN 10 2.674 -5.442 0.071 44 HB2 GLN 10 1HB GLN 10 0.717 -6.343 1.492 45 HB3 GLN 10 2HB GLN 10 1.282 -7.359 0.181 46 HG2 GLN 10 1HG GLN 10 2.708 -7.809 2.752 47 HG3 GLN 10 2HG GLN 10 0.996 -8.176 2.817 48 HE21 GLN 10 1HE2 GLN 10 0.097 -9.604 1.203 49 HE22 GLN 10 2HE2 GLN 10 1.056 -10.881 0.532 50 H LEU 11 H LEU 11 1.812 -3.659 1.298 51 HA LEU 11 HA LEU 11 3.108 -3.368 3.918 52 HB2 LEU 11 1HB LEU 11 3.503 -1.851 1.685 53 HB3 LEU 11 2HB LEU 11 2.236 -0.946 2.489 54 HG LEU 11 HG LEU 11 4.910 -1.708 3.695 55 HD11 LEU 11 1HD1 LEU 11 3.903 0.720 2.292 56 HD12 LEU 11 2HD1 LEU 11 4.965 0.953 3.702 57 HD13 LEU 11 3HD1 LEU 11 5.526 -0.010 2.314 58 HD21 LEU 11 1HD2 LEU 11 4.247 -0.217 5.561 59 HD22 LEU 11 2HD2 LEU 11 2.617 -0.106 4.856 60 HD23 LEU 11 3HD2 LEU 11 3.234 -1.674 5.429 61 H ILE 12 H ILE 12 1.762 -3.391 5.630 62 HA ILE 12 HA ILE 12 -1.079 -3.127 5.103 63 HB ILE 12 HB ILE 12 0.544 -4.060 7.463 64 HG12 ILE 12 1HG1 ILE 12 -1.347 -5.975 6.652 65 HG13 ILE 12 2HG1 ILE 12 -0.687 -5.333 5.161 66 HG21 ILE 12 1HG2 ILE 12 -2.477 -3.994 7.348 67 HG22 ILE 12 2HG2 ILE 12 -1.427 -4.414 8.724 68 HG23 ILE 12 3HG2 ILE 12 -1.502 -2.732 8.142 69 HD11 ILE 12 1HD1 ILE 12 0.635 -7.269 6.054 70 HD12 ILE 12 2HD1 ILE 12 1.609 -5.786 5.916 71 HD13 ILE 12 3HD1 ILE 12 1.007 -6.310 7.506 72 H VAL 13 H VAL 13 -1.955 -1.130 5.105 73 HA VAL 13 HA VAL 13 -1.105 0.675 7.243 74 HB VAL 13 HB VAL 13 -1.053 2.542 5.697 75 HG11 VAL 13 1HG1 VAL 13 1.130 2.171 5.432 76 HG12 VAL 13 2HG1 VAL 13 0.859 0.466 5.864 77 HG13 VAL 13 3HG1 VAL 13 0.815 0.970 4.157 78 HG21 VAL 13 1HG2 VAL 13 -0.880 1.763 3.155 79 HG22 VAL 13 2HG2 VAL 13 -1.960 0.473 3.737 80 HG23 VAL 13 3HG2 VAL 13 -2.439 2.179 3.908 81 H LYS 14 H LYS 14 -2.817 1.544 8.322 82 HA LYS 14 HA LYS 14 -5.443 0.804 7.392 83 HB2 LYS 14 1HB LYS 14 -4.695 0.564 9.769 84 HB3 LYS 14 2HB LYS 14 -4.618 2.311 9.892 85 HG2 LYS 14 1HG LYS 14 -6.780 1.775 10.723 86 HG3 LYS 14 2HG LYS 14 -7.085 2.328 9.088 87 HD2 LYS 14 1HD LYS 14 -8.136 0.360 8.685 88 HD3 LYS 14 2HD LYS 14 -6.581 -0.439 8.802 89 HE2 LYS 14 1HE LYS 14 -6.878 -0.856 11.185 90 HE3 LYS 14 2HE LYS 14 -8.288 0.182 11.253 91 HZ1 LYS 14 1HZ LYS 14 -9.564 -1.372 10.254 92 HZ2 LYS 14 2HZ LYS 14 -8.347 -2.035 9.389 93 HZ3 LYS 14 3HZ LYS 14 -8.502 -2.380 10.978 94 H ALA 15 H ALA 15 -7.022 2.165 6.583 95 HA ALA 15 HA ALA 15 -6.218 4.439 5.231 96 HB1 ALA 15 1HB ALA 15 -8.713 4.841 5.062 97 HB2 ALA 15 2HB ALA 15 -8.188 3.209 4.586 98 HB3 ALA 15 3HB ALA 15 -8.943 3.473 6.177 99 H ARG 16 H ARG 16 -7.917 6.541 5.750 100 HA ARG 16 HA ARG 16 -7.330 7.195 8.521 101 HB2 ARG 16 1HB ARG 16 -5.633 8.350 7.211 102 HB3 ARG 16 2HB ARG 16 -6.815 8.893 6.036 103 HG2 ARG 16 1HG ARG 16 -7.957 10.185 7.944 104 HG3 ARG 16 2HG ARG 16 -6.569 9.794 8.940 105 HD2 ARG 16 1HD ARG 16 -5.672 10.841 6.365 106 HD3 ARG 16 2HD ARG 16 -6.815 11.952 7.092 107 HE ARG 16 HE ARG 16 -4.132 11.363 8.048 108 HH11 ARG 16 2HH2 ARG 16 -7.345 12.354 9.085 109 HH12 ARG 16 1HH2 ARG 16 -6.776 13.160 10.509 110 HH21 ARG 16 2HH1 ARG 16 -3.380 12.426 9.926 111 HH22 ARG 16 1HH1 ARG 16 -4.505 13.201 10.991 112 H PHE 17 H PHE 17 -9.112 8.110 5.492 113 HA PHE 17 HA PHE 17 -11.490 8.509 7.105 114 HB2 PHE 17 1HB PHE 17 -11.800 10.770 6.271 115 HB3 PHE 17 2HB PHE 17 -10.119 10.708 6.767 116 HD1 PHE 17 2HD PHE 17 -8.330 10.573 5.070 117 HD2 PHE 17 1HD PHE 17 -12.402 11.023 3.963 118 HE1 PHE 17 2HE PHE 17 -7.626 11.295 2.771 119 HE2 PHE 17 1HE PHE 17 -11.698 11.745 1.664 120 HZ PHE 17 HZ PHE 17 -9.318 11.872 1.095 121 H ASN 18 H ASN 18 -13.251 9.443 5.228 122 HA ASN 18 HA ASN 18 -13.552 7.165 3.616 123 HB2 ASN 18 1HB ASN 18 -15.020 9.849 3.438 124 HB3 ASN 18 2HB ASN 18 -15.589 8.325 2.786 125 HD21 ASN 18 1HD2 ASN 18 -16.735 10.156 4.782 126 HD22 ASN 18 2HD2 ASN 18 -17.036 9.223 6.211 127 H PHE 19 H PHE 19 -12.322 6.873 1.746 128 HA PHE 19 HA PHE 19 -11.444 9.254 0.314 129 HB2 PHE 19 1HB PHE 19 -9.831 7.431 1.009 130 HB3 PHE 19 2HB PHE 19 -10.790 6.251 0.138 131 HD1 PHE 19 1HD PHE 19 -9.359 9.609 -0.691 132 HD2 PHE 19 2HD PHE 19 -9.767 5.530 -1.784 133 HE1 PHE 19 1HE PHE 19 -7.999 10.028 -2.758 134 HE2 PHE 19 2HE PHE 19 -8.405 5.948 -3.852 135 HZ PHE 19 HZ PHE 19 -7.538 8.192 -4.314 136 H LYS 20 H LYS 20 -11.774 9.511 -1.968 137 HA LYS 20 HA LYS 20 -13.890 7.773 -3.036 138 HB2 LYS 20 1HB LYS 20 -14.721 10.025 -2.343 139 HB3 LYS 20 2HB LYS 20 -13.613 10.759 -3.485 140 HG2 LYS 20 1HG LYS 20 -15.008 8.698 -4.910 141 HG3 LYS 20 2HG LYS 20 -16.215 9.572 -3.988 142 HD2 LYS 20 1HD LYS 20 -15.300 11.740 -4.911 143 HD3 LYS 20 2HD LYS 20 -14.175 10.819 -5.890 144 HE2 LYS 20 1HE LYS 20 -15.822 10.868 -7.476 145 HE3 LYS 20 2HE LYS 20 -16.550 9.575 -6.543 146 HZ1 LYS 20 1HZ LYS 20 -18.161 11.227 -6.805 147 HZ2 LYS 20 2HZ LYS 20 -17.672 11.365 -5.253 148 HZ3 LYS 20 3HZ LYS 20 -17.154 12.438 -6.370 149 H GLN 21 H GLN 21 -13.187 6.608 -4.736 150 HA GLN 21 HA GLN 21 -10.692 7.202 -5.891 151 HB2 GLN 21 1HB GLN 21 -11.056 5.212 -7.222 152 HB3 GLN 21 2HB GLN 21 -11.653 4.892 -5.606 153 HG2 GLN 21 1HG GLN 21 -13.983 5.596 -6.456 154 HG3 GLN 21 2HG GLN 21 -13.306 5.588 -8.073 155 HE21 GLN 21 1HE2 GLN 21 -11.645 3.492 -8.130 156 HE22 GLN 21 2HE2 GLN 21 -12.476 1.993 -7.874 157 H THR 22 H THR 22 -10.178 8.092 -7.925 158 HA THR 22 HA THR 22 -12.171 9.838 -9.017 159 HB THR 22 HB THR 22 -10.235 10.502 -10.480 160 HG1 THR 22 1HG THR 22 -8.855 8.793 -10.759 161 HG21 THR 22 1HG2 THR 22 -8.482 10.471 -8.326 162 HG22 THR 22 2HG2 THR 22 -9.724 11.719 -8.589 163 HG23 THR 22 3HG2 THR 22 -10.061 10.343 -7.511 164 H ASN 23 H ASN 23 -11.473 6.532 -9.421 165 HA ASN 23 HA ASN 23 -13.353 6.319 -11.451 166 HB2 ASN 23 1HB ASN 23 -10.474 6.473 -12.282 167 HB3 ASN 23 2HB ASN 23 -11.383 5.154 -12.991 168 HD21 ASN 23 1HD2 ASN 23 -10.337 7.212 -14.490 169 HD22 ASN 23 2HD2 ASN 23 -11.606 8.172 -15.175 170 H GLU 24 H GLU 24 -13.474 3.907 -12.189 171 HA GLU 24 HA GLU 24 -13.199 2.283 -9.964 172 HB2 GLU 24 1HB GLU 24 -13.850 0.440 -11.522 173 HB3 GLU 24 2HB GLU 24 -14.883 1.847 -11.672 174 HG2 GLU 24 1HG GLU 24 -13.053 2.526 -13.543 175 HG3 GLU 24 2HG GLU 24 -12.819 0.790 -13.594 176 H ASP 25 H ASP 25 -10.860 3.363 -12.227 177 HA ASP 25 HA ASP 25 -9.291 1.028 -12.304 178 HB2 ASP 25 1HB ASP 25 -9.073 3.874 -13.160 179 HB3 ASP 25 2HB ASP 25 -7.536 3.121 -12.782 180 H GLU 26 H GLU 26 -9.484 4.016 -10.307 181 HA GLU 26 HA GLU 26 -7.083 3.418 -8.907 182 HB2 GLU 26 1HB GLU 26 -8.541 5.712 -9.337 183 HB3 GLU 26 2HB GLU 26 -9.023 5.328 -7.697 184 HG2 GLU 26 1HG GLU 26 -7.085 6.288 -7.008 185 HG3 GLU 26 2HG GLU 26 -6.250 4.893 -7.663 186 H LEU 27 H LEU 27 -7.490 3.739 -6.249 187 HA LEU 27 HA LEU 27 -9.196 1.449 -5.616 188 HB2 LEU 27 1HB LEU 27 -6.614 1.763 -5.082 189 HB3 LEU 27 2HB LEU 27 -7.246 2.611 -3.685 190 HG LEU 27 HG LEU 27 -8.458 -0.042 -4.212 191 HD11 LEU 27 1HD1 LEU 27 -5.692 0.003 -3.019 192 HD12 LEU 27 2HD1 LEU 27 -6.651 -1.381 -3.598 193 HD13 LEU 27 3HD1 LEU 27 -5.951 -0.233 -4.765 194 HD21 LEU 27 1HD2 LEU 27 -8.801 1.592 -2.220 195 HD22 LEU 27 2HD2 LEU 27 -8.656 -0.155 -1.908 196 HD23 LEU 27 3HD2 LEU 27 -7.263 0.918 -1.627 197 H SER 28 H SER 28 -10.321 1.571 -3.414 198 HA SER 28 HA SER 28 -11.069 4.302 -2.798 199 HB2 SER 28 1HB SER 28 -12.815 3.586 -4.324 200 HB3 SER 28 2HB SER 28 -12.992 2.049 -3.501 201 HG SER 28 HG SER 28 -14.593 3.868 -3.017 202 H VAL 29 H VAL 29 -11.586 4.623 -0.578 203 HA VAL 29 HA VAL 29 -11.774 2.256 1.098 204 HB VAL 29 HB VAL 29 -9.371 2.782 0.897 205 HG11 VAL 29 1HG1 VAL 29 -10.285 5.479 1.901 206 HG12 VAL 29 2HG1 VAL 29 -8.629 4.895 2.193 207 HG13 VAL 29 3HG1 VAL 29 -9.223 5.091 0.527 208 HG21 VAL 29 1HG2 VAL 29 -10.765 2.099 3.123 209 HG22 VAL 29 2HG2 VAL 29 -8.990 2.208 3.055 210 HG23 VAL 29 3HG2 VAL 29 -9.941 3.567 3.700 211 H CYS 30 H CYS 30 -12.680 2.743 3.225 212 HA CYS 30 HA CYS 30 -14.097 5.306 3.175 213 HB2 CYS 30 1HB CYS 30 -15.695 3.546 2.971 214 HB3 CYS 30 2HB CYS 30 -14.940 2.600 4.238 215 HG CYS 30 HG CYS 30 -16.481 5.522 4.417 216 H LYS 31 H LYS 31 -13.512 2.808 5.738 217 HA LYS 31 HA LYS 31 -11.615 4.479 7.082 218 HB2 LYS 31 1HB LYS 31 -14.037 5.371 7.575 219 HB3 LYS 31 2HB LYS 31 -14.138 3.981 8.639 220 HG2 LYS 31 1HG LYS 31 -12.744 4.924 10.180 221 HG3 LYS 31 2HG LYS 31 -11.576 5.393 8.960 222 HD2 LYS 31 1HD LYS 31 -12.317 7.539 8.968 223 HD3 LYS 31 2HD LYS 31 -13.970 7.029 8.686 224 HE2 LYS 31 1HE LYS 31 -14.409 7.754 10.800 225 HE3 LYS 31 2HE LYS 31 -13.584 6.312 11.355 226 HZ1 LYS 31 1HZ LYS 31 -11.872 7.518 12.028 227 HZ2 LYS 31 2HZ LYS 31 -11.790 8.401 10.658 228 HZ3 LYS 31 3HZ LYS 31 -12.816 8.838 11.851 229 H GLY 32 H GLY 32 -10.558 3.342 8.829 230 HA2 GLY 32 1HA GLY 32 -9.562 1.446 9.560 231 HA3 GLY 32 2HA GLY 32 -11.197 1.003 10.010 232 H ASP 33 H ASP 33 -9.312 1.242 6.900 233 HA ASP 33 HA ASP 33 -10.085 -1.519 6.426 234 HB2 ASP 33 1HB ASP 33 -10.724 0.887 4.829 235 HB3 ASP 33 2HB ASP 33 -9.926 -0.349 3.878 236 H ILE 34 H ILE 34 -7.862 -2.079 7.054 237 HA ILE 34 HA ILE 34 -5.585 -0.815 6.175 238 HB ILE 34 HB ILE 34 -6.322 -3.369 7.375 239 HG12 ILE 34 1HG1 ILE 34 -3.716 -2.473 8.096 240 HG13 ILE 34 2HG1 ILE 34 -4.722 -1.048 7.924 241 HG21 ILE 34 1HG2 ILE 34 -5.187 -4.215 5.342 242 HG22 ILE 34 2HG2 ILE 34 -3.743 -3.273 5.786 243 HG23 ILE 34 3HG2 ILE 34 -4.309 -4.589 6.844 244 HD11 ILE 34 1HD1 ILE 34 -4.930 -3.299 9.881 245 HD12 ILE 34 2HD1 ILE 34 -5.309 -1.573 10.089 246 HD13 ILE 34 3HD1 ILE 34 -6.470 -2.647 9.271 247 H ILE 35 H ILE 35 -4.461 -0.697 4.284 248 HA ILE 35 HA ILE 35 -5.473 -2.387 2.104 249 HB ILE 35 HB ILE 35 -4.251 0.362 1.879 250 HG12 ILE 35 1HG1 ILE 35 -6.957 0.474 1.148 251 HG13 ILE 35 2HG1 ILE 35 -6.939 -0.432 2.647 252 HG21 ILE 35 1HG2 ILE 35 -4.932 0.310 -0.402 253 HG22 ILE 35 2HG2 ILE 35 -4.045 -1.199 -0.079 254 HG23 ILE 35 3HG2 ILE 35 -5.822 -1.214 -0.170 255 HD11 ILE 35 1HD1 ILE 35 -6.032 1.339 3.882 256 HD12 ILE 35 2HD1 ILE 35 -5.251 2.066 2.457 257 HD13 ILE 35 3HD1 ILE 35 -7.009 2.223 2.685 258 H TYR 36 H TYR 36 -4.008 -3.580 0.913 259 HA TYR 36 HA TYR 36 -1.337 -3.705 2.050 260 HB2 TYR 36 1HB TYR 36 -2.892 -5.284 -0.095 261 HB3 TYR 36 2HB TYR 36 -1.324 -5.766 0.522 262 HD1 TYR 36 1HD TYR 36 -1.442 -5.579 3.364 263 HD2 TYR 36 2HD TYR 36 -4.562 -6.697 0.659 264 HE1 TYR 36 1HE TYR 36 -2.581 -6.900 5.213 265 HE2 TYR 36 2HE TYR 36 -5.691 -8.016 2.517 266 HH TYR 36 HH TYR 36 -4.904 -7.633 5.730 267 H VAL 37 H VAL 37 0.188 -2.356 1.229 268 HA VAL 37 HA VAL 37 -0.093 -1.389 -1.472 269 HB VAL 37 HB VAL 37 2.140 -0.913 0.503 270 HG11 VAL 37 1HG1 VAL 37 2.814 0.827 -0.825 271 HG12 VAL 37 2HG1 VAL 37 2.134 -0.241 -2.077 272 HG13 VAL 37 3HG1 VAL 37 1.178 1.128 -1.458 273 HG21 VAL 37 1HG2 VAL 37 0.859 0.428 1.761 274 HG22 VAL 37 2HG2 VAL 37 0.118 1.191 0.334 275 HG23 VAL 37 3HG2 VAL 37 -0.539 -0.336 0.968 276 H THR 38 H THR 38 0.717 -2.405 -3.227 277 HA THR 38 HA THR 38 2.833 -4.393 -2.749 278 HB THR 38 HB THR 38 0.836 -5.426 -3.644 279 HG1 THR 38 1HG THR 38 1.701 -5.817 -5.905 280 HG21 THR 38 1HG2 THR 38 0.879 -3.183 -5.733 281 HG22 THR 38 2HG2 THR 38 -0.192 -4.603 -5.783 282 HG23 THR 38 3HG2 THR 38 -0.361 -3.407 -4.476 283 H ARG 39 H ARG 39 1.785 -1.695 -4.900 284 HA ARG 39 HA ARG 39 4.115 -1.816 -6.431 285 HB2 ARG 39 1HB ARG 39 2.004 -0.728 -7.200 286 HB3 ARG 39 2HB ARG 39 2.169 0.499 -5.960 287 HG2 ARG 39 1HG ARG 39 3.535 1.724 -7.290 288 HG3 ARG 39 2HG ARG 39 4.653 0.382 -7.437 289 HD2 ARG 39 1HD ARG 39 2.099 0.520 -9.096 290 HD3 ARG 39 2HD ARG 39 3.581 1.289 -9.627 291 HE ARG 39 HE ARG 39 4.110 -1.445 -8.866 292 HH11 ARG 39 2HH2 ARG 39 2.659 0.477 -11.432 293 HH12 ARG 39 1HH2 ARG 39 2.944 -0.712 -12.659 294 HH21 ARG 39 2HH1 ARG 39 4.487 -3.014 -10.484 295 HH22 ARG 39 1HH1 ARG 39 3.991 -2.711 -12.115 296 H VAL 40 H VAL 40 3.031 0.898 -4.255 297 HA VAL 40 HA VAL 40 4.129 2.088 -2.734 298 HB VAL 40 HB VAL 40 6.464 0.205 -3.106 299 HG11 VAL 40 1HG1 VAL 40 6.184 2.580 -1.603 300 HG12 VAL 40 2HG1 VAL 40 6.087 1.240 -0.435 301 HG13 VAL 40 3HG1 VAL 40 7.496 1.380 -1.513 302 HG21 VAL 40 1HG2 VAL 40 5.527 -1.334 -1.706 303 HG22 VAL 40 2HG2 VAL 40 4.569 -0.120 -0.825 304 HG23 VAL 40 3HG2 VAL 40 4.032 -0.688 -2.424 305 H GLU 41 H GLU 41 3.938 3.704 -4.477 306 HA GLU 41 HA GLU 41 6.471 4.136 -5.841 307 HB2 GLU 41 1HB GLU 41 3.627 5.030 -6.420 308 HB3 GLU 41 2HB GLU 41 4.994 5.818 -7.185 309 HG2 GLU 41 1HG GLU 41 5.158 2.862 -7.297 310 HG3 GLU 41 2HG GLU 41 3.733 3.495 -8.095 311 H GLU 42 H GLU 42 7.411 6.312 -5.871 312 HA GLU 42 HA GLU 42 6.721 7.724 -3.432 313 HB2 GLU 42 1HB GLU 42 8.964 8.707 -3.571 314 HB3 GLU 42 2HB GLU 42 9.071 6.963 -3.694 315 HG2 GLU 42 1HG GLU 42 10.197 7.214 -5.643 316 HG3 GLU 42 2HG GLU 42 8.734 7.851 -6.366 317 H GLY 43 H GLY 43 5.945 7.791 -6.670 318 HA2 GLY 43 1HA GLY 43 6.341 10.421 -7.497 319 HA3 GLY 43 2HA GLY 43 5.070 9.343 -8.039 320 H GLY 44 H GLY 44 3.597 8.903 -5.668 321 HA2 GLY 44 1HA GLY 44 2.994 10.927 -3.988 322 HA3 GLY 44 2HA GLY 44 2.204 11.427 -5.470 323 H TRP 45 H TRP 45 1.742 8.601 -6.403 324 HA TRP 45 HA TRP 45 -0.556 8.079 -4.667 325 HB2 TRP 45 1HB TRP 45 0.043 7.311 -7.526 326 HB3 TRP 45 2HB TRP 45 -1.335 6.714 -6.623 327 HD1 TRP 45 HD TRP 45 0.077 10.174 -7.768 328 HE1 TRP 45 1HE TRP 45 -1.890 11.872 -8.220 329 HE3 TRP 45 3HE TRP 45 -3.652 7.065 -6.256 330 HZ2 TRP 45 2HZ TRP 45 -4.723 11.729 -7.901 331 HZ3 TRP 45 3HZ TRP 45 -5.991 7.922 -6.358 332 HH2 TRP 45 HH TRP 45 -6.554 10.168 -7.146 333 H TRP 46 H TRP 46 -1.046 5.742 -4.210 334 HA TRP 46 HA TRP 46 1.364 4.073 -4.280 335 HB2 TRP 46 1HB TRP 46 0.089 5.207 -1.940 336 HB3 TRP 46 2HB TRP 46 0.035 3.455 -1.893 337 HD1 TRP 46 HD TRP 46 3.074 5.152 -3.530 338 HE1 TRP 46 1HE TRP 46 5.267 4.770 -2.114 339 HE3 TRP 46 3HE TRP 46 0.751 3.050 0.475 340 HZ2 TRP 46 2HZ TRP 46 5.774 3.657 0.464 341 HZ3 TRP 46 3HZ TRP 46 2.169 2.343 2.400 342 HH2 TRP 46 HH TRP 46 4.597 2.617 2.437 343 H GLU 47 H GLU 47 0.897 2.095 -5.163 344 HA GLU 47 HA GLU 47 -1.919 1.499 -5.502 345 HB2 GLU 47 1HB GLU 47 -1.001 1.291 -7.611 346 HB3 GLU 47 2HB GLU 47 0.587 0.871 -7.003 347 HG2 GLU 47 1HG GLU 47 -0.177 -1.410 -6.448 348 HG3 GLU 47 2HG GLU 47 -1.821 -1.005 -6.898 349 H GLY 48 H GLY 48 -2.891 -0.006 -4.215 350 HA2 GLY 48 1HA GLY 48 -1.243 -2.204 -3.162 351 HA3 GLY 48 2HA GLY 48 -2.145 -1.195 -2.049 352 H THR 49 H THR 49 -3.385 -3.111 -1.412 353 HA THR 49 HA THR 49 -5.613 -3.560 -3.250 354 HB THR 49 HB THR 49 -3.581 -5.564 -2.285 355 HG1 THR 49 1HG THR 49 -3.876 -6.076 -4.466 356 HG21 THR 49 1HG2 THR 49 -5.357 -6.728 -1.262 357 HG22 THR 49 2HG2 THR 49 -6.582 -5.972 -2.309 358 HG23 THR 49 3HG2 THR 49 -5.541 -7.268 -2.948 359 H LEU 50 H LEU 50 -7.567 -3.541 -2.278 360 HA LEU 50 HA LEU 50 -7.496 -3.460 0.656 361 HB2 LEU 50 1HB LEU 50 -8.128 -1.350 -0.293 362 HB3 LEU 50 2HB LEU 50 -9.318 -2.108 -1.333 363 HG LEU 50 HG LEU 50 -10.625 -2.772 0.673 364 HD11 LEU 50 1HD1 LEU 50 -10.093 -2.116 2.853 365 HD12 LEU 50 2HD1 LEU 50 -8.552 -2.706 2.187 366 HD13 LEU 50 3HD1 LEU 50 -8.858 -0.958 2.307 367 HD21 LEU 50 1HD2 LEU 50 -11.126 -0.710 -0.586 368 HD22 LEU 50 2HD2 LEU 50 -11.536 -0.576 1.141 369 HD23 LEU 50 3HD2 LEU 50 -10.063 0.202 0.513 370 H ASN 51 H ASN 51 -9.663 -4.214 1.662 371 HA ASN 51 HA ASN 51 -9.959 -6.835 1.271 372 HB2 ASN 51 1HB ASN 51 -11.918 -4.709 2.221 373 HB3 ASN 51 2HB ASN 51 -12.426 -6.385 2.154 374 HD21 ASN 51 1HD2 ASN 51 -10.586 -4.005 3.784 375 HD22 ASN 51 2HD2 ASN 51 -9.966 -4.971 5.082 376 H GLY 52 H GLY 52 -10.089 -7.498 -0.960 377 HA2 GLY 52 1HA GLY 52 -11.159 -8.096 -2.848 378 HA3 GLY 52 2HA GLY 52 -12.668 -7.580 -2.119 379 H ARG 53 H ARG 53 -9.857 -5.396 -2.446 380 HA ARG 53 HA ARG 53 -11.186 -4.145 -4.697 381 HB2 ARG 53 1HB ARG 53 -10.931 -3.051 -1.994 382 HB3 ARG 53 2HB ARG 53 -10.076 -2.030 -3.132 383 HG2 ARG 53 1HG ARG 53 -12.807 -2.976 -3.959 384 HG3 ARG 53 2HG ARG 53 -12.741 -1.796 -2.664 385 HD2 ARG 53 1HD ARG 53 -11.270 -0.339 -4.144 386 HD3 ARG 53 2HD ARG 53 -11.510 -1.489 -5.445 387 HE ARG 53 HE ARG 53 -13.516 0.387 -4.365 388 HH11 ARG 53 2HH2 ARG 53 -12.922 -2.444 -6.370 389 HH12 ARG 53 1HH2 ARG 53 -14.402 -2.285 -7.256 390 HH21 ARG 53 2HH1 ARG 53 -15.468 0.597 -5.534 391 HH22 ARG 53 1HH1 ARG 53 -15.860 -0.543 -6.777 392 H THR 54 H THR 54 -9.626 -2.342 -5.657 393 HA THR 54 HA THR 54 -6.842 -2.673 -5.085 394 HB THR 54 HB THR 54 -8.080 -3.892 -7.605 395 HG1 THR 54 1HG THR 54 -6.207 -4.850 -5.566 396 HG21 THR 54 1HG2 THR 54 -5.669 -4.497 -8.129 397 HG22 THR 54 2HG2 THR 54 -6.000 -2.754 -8.282 398 HG23 THR 54 3HG2 THR 54 -5.157 -3.377 -6.843 399 H GLY 55 H GLY 55 -5.507 -1.404 -6.804 400 HA2 GLY 55 1HA GLY 55 -5.895 0.323 -8.565 401 HA3 GLY 55 2HA GLY 55 -7.088 1.004 -7.477 402 H TRP 56 H TRP 56 -5.786 3.010 -7.535 403 HA TRP 56 HA TRP 56 -3.362 2.788 -5.885 404 HB2 TRP 56 1HB TRP 56 -4.126 4.841 -7.969 405 HB3 TRP 56 2HB TRP 56 -2.738 4.971 -6.908 406 HD1 TRP 56 HD TRP 56 -4.027 2.215 -9.385 407 HE1 TRP 56 1HE TRP 56 -2.015 1.217 -10.770 408 HE3 TRP 56 3HE TRP 56 -0.419 5.028 -7.168 409 HZ2 TRP 56 2HZ TRP 56 0.797 1.705 -10.782 410 HZ3 TRP 56 3HZ TRP 56 1.935 4.706 -7.924 411 HH2 TRP 56 HH TRP 56 2.567 3.113 -9.666 412 H PHE 57 H PHE 57 -3.109 4.410 -4.189 413 HA PHE 57 HA PHE 57 -5.318 6.164 -3.662 414 HB2 PHE 57 1HB PHE 57 -5.911 5.071 -1.535 415 HB3 PHE 57 2HB PHE 57 -5.975 3.841 -2.781 416 HD1 PHE 57 1HD PHE 57 -3.814 2.417 -3.098 417 HD2 PHE 57 2HD PHE 57 -4.654 4.696 0.381 418 HE1 PHE 57 1HE PHE 57 -2.209 1.004 -1.786 419 HE2 PHE 57 2HE PHE 57 -3.048 3.283 1.694 420 HZ PHE 57 HZ PHE 57 -1.845 1.453 0.594 421 HA PRO 58 HA PRO 58 -2.195 8.265 -1.521 422 HB2 PRO 58 1HB PRO 58 -3.555 9.665 0.393 423 HB3 PRO 58 2HB PRO 58 -3.481 10.160 -1.287 424 HG2 PRO 58 1HG PRO 58 -5.724 8.915 0.182 425 HG3 PRO 58 2HG PRO 58 -5.757 9.792 -1.335 426 HD2 PRO 58 1HD PRO 58 -5.910 6.948 -0.994 427 HD3 PRO 58 2HD PRO 58 -5.826 7.818 -2.511 428 H SER 59 H SER 59 -0.558 7.439 -0.401 429 HA SER 59 HA SER 59 -1.337 5.763 1.806 430 HB2 SER 59 1HB SER 59 0.972 4.979 1.778 431 HB3 SER 59 2HB SER 59 0.351 4.980 0.139 432 HG SER 59 HG SER 59 2.280 6.710 1.349 433 H ASN 60 H ASN 60 -0.459 9.020 1.212 434 HA ASN 60 HA ASN 60 1.081 9.428 3.542 435 HB2 ASN 60 1HB ASN 60 0.886 10.872 1.328 436 HB3 ASN 60 2HB ASN 60 -0.507 11.595 2.107 437 HD21 ASN 60 1HD2 ASN 60 2.921 10.833 2.551 438 HD22 ASN 60 2HD2 ASN 60 3.326 12.176 3.566 439 H TYR 61 H TYR 61 -2.322 10.176 2.479 440 HA TYR 61 HA TYR 61 -3.199 11.362 4.820 441 HB2 TYR 61 1HB TYR 61 -4.394 9.668 2.565 442 HB3 TYR 61 2HB TYR 61 -5.440 10.238 3.849 443 HD1 TYR 61 2HD TYR 61 -3.081 11.418 1.208 444 HD2 TYR 61 1HD TYR 61 -6.336 12.423 3.798 445 HE1 TYR 61 2HE TYR 61 -3.367 13.636 0.000 446 HE2 TYR 61 1HE TYR 61 -6.610 14.638 2.580 447 HH TYR 61 HH TYR 61 -6.061 15.774 0.770 448 H VAL 62 H VAL 62 -3.160 7.881 3.835 449 HA VAL 62 HA VAL 62 -4.438 7.074 6.263 450 HB VAL 62 HB VAL 62 -4.234 4.883 5.408 451 HG11 VAL 62 1HG1 VAL 62 -5.333 5.046 3.314 452 HG12 VAL 62 2HG1 VAL 62 -5.755 6.533 4.195 453 HG13 VAL 62 3HG1 VAL 62 -4.519 6.578 2.916 454 HG21 VAL 62 1HG2 VAL 62 -2.038 6.007 3.658 455 HG22 VAL 62 2HG2 VAL 62 -1.961 4.660 4.819 456 HG23 VAL 62 3HG2 VAL 62 -2.849 4.466 3.289 457 H ARG 63 H ARG 63 -3.286 5.285 7.632 458 HA ARG 63 HA ARG 63 -0.604 6.295 8.143 459 HB2 ARG 63 1HB ARG 63 -0.943 5.678 10.502 460 HB3 ARG 63 2HB ARG 63 -2.269 6.696 9.981 461 HG2 ARG 63 1HG ARG 63 -3.740 4.763 9.696 462 HG3 ARG 63 2HG ARG 63 -2.412 3.647 9.949 463 HD2 ARG 63 1HD ARG 63 -3.070 3.626 12.137 464 HD3 ARG 63 2HD ARG 63 -2.281 5.186 12.258 465 HE ARG 63 HE ARG 63 -4.954 5.528 11.234 466 HH11 ARG 63 2HH2 ARG 63 -3.216 4.809 14.208 467 HH12 ARG 63 1HH2 ARG 63 -4.454 5.448 15.237 468 HH21 ARG 63 2HH1 ARG 63 -6.589 6.371 12.591 469 HH22 ARG 63 1HH1 ARG 63 -6.385 6.342 14.312 470 H GLU 64 H GLU 64 1.086 4.736 8.609 471 HA GLU 64 HA GLU 64 0.494 2.158 7.473 472 HB2 GLU 64 1HB GLU 64 2.470 3.145 6.583 473 HB3 GLU 64 2HB GLU 64 3.044 3.647 8.160 474 HG2 GLU 64 1HG GLU 64 3.368 1.252 8.807 475 HG3 GLU 64 2HG GLU 64 2.787 0.747 7.232 476 H ILE 65 H ILE 65 1.041 0.129 8.549 477 HA ILE 65 HA ILE 65 0.977 0.424 11.469 478 HB ILE 65 HB ILE 65 -0.007 -1.824 9.707 479 HG12 ILE 65 1HG1 ILE 65 -1.445 0.382 11.196 480 HG13 ILE 65 2HG1 ILE 65 -1.474 0.047 9.476 481 HG21 ILE 65 1HG2 ILE 65 -0.669 -1.649 12.610 482 HG22 ILE 65 2HG2 ILE 65 -0.501 -3.069 11.549 483 HG23 ILE 65 3HG2 ILE 65 0.949 -2.232 12.154 484 HD11 ILE 65 1HD1 ILE 65 -2.455 -1.953 11.557 485 HD12 ILE 65 2HD1 ILE 65 -3.518 -0.760 10.773 486 HD13 ILE 65 3HD1 ILE 65 -2.708 -2.009 9.796 487 H LYS 66 H LYS 66 2.133 -1.907 8.925 488 HA LYS 66 HA LYS 66 3.919 -3.281 10.405 489 HB2 LYS 66 1HB LYS 66 3.990 -2.409 7.515 490 HB3 LYS 66 2HB LYS 66 5.233 -3.441 8.193 491 HG2 LYS 66 1HG LYS 66 2.472 -4.303 8.869 492 HG3 LYS 66 2HG LYS 66 2.813 -4.325 7.150 493 HD2 LYS 66 1HD LYS 66 3.538 -6.462 7.797 494 HD3 LYS 66 2HD LYS 66 5.038 -5.558 7.840 495 HE2 LYS 66 1HE LYS 66 5.084 -5.469 10.199 496 HE3 LYS 66 2HE LYS 66 3.350 -5.669 10.347 497 HZ1 LYS 66 1HZ LYS 66 4.694 -7.650 10.900 498 HZ2 LYS 66 2HZ LYS 66 3.546 -7.927 9.772 499 HZ3 LYS 66 3HZ LYS 66 5.111 -7.784 9.327 500 H SER 67 H SER 67 5.663 -2.803 11.625 501 HA SER 67 HA SER 67 6.673 -0.130 11.466 502 HB2 SER 67 1HB SER 67 7.205 -2.487 13.312 503 HB3 SER 67 2HB SER 67 8.144 -1.011 13.415 504 HG SER 67 HG SER 67 5.590 -0.215 13.349 505 H SER 68 H SER 68 7.444 -3.321 10.264 506 HA SER 68 HA SER 68 10.230 -2.783 9.990 507 HB2 SER 68 1HB SER 68 8.387 -5.033 9.132 508 HB3 SER 68 2HB SER 68 10.030 -4.959 8.530 509 HG SER 68 HG SER 68 9.206 -5.951 10.875 510 H GLU 69 H GLU 69 7.406 -1.792 8.386 511 HA GLU 69 HA GLU 69 8.724 -1.713 5.804 512 HB2 GLU 69 1HB GLU 69 5.866 -1.477 6.738 513 HB3 GLU 69 2HB GLU 69 6.309 -0.720 5.221 514 HG2 GLU 69 1HG GLU 69 5.474 -3.181 5.136 515 HG3 GLU 69 2HG GLU 69 6.906 -2.779 4.208 516 H ARG 70 H ARG 70 7.748 0.266 8.553 517 HA ARG 70 HA ARG 70 7.662 2.711 7.264 518 HB2 ARG 70 1HB ARG 70 7.508 1.711 9.951 519 HB3 ARG 70 2HB ARG 70 8.718 2.977 9.966 520 HG2 ARG 70 1HG ARG 70 6.393 3.773 8.363 521 HG3 ARG 70 2HG ARG 70 5.906 3.314 9.983 522 HD2 ARG 70 1HD ARG 70 6.937 5.129 10.948 523 HD3 ARG 70 2HD ARG 70 8.351 5.001 9.921 524 HE ARG 70 HE ARG 70 6.321 5.862 8.204 525 HH11 ARG 70 2HH2 ARG 70 7.755 7.055 11.187 526 HH12 ARG 70 1HH2 ARG 70 7.444 8.718 10.822 527 HH21 ARG 70 2HH1 ARG 70 5.911 8.058 7.720 528 HH22 ARG 70 1HH1 ARG 70 6.388 9.293 8.836 529 H SER 71 H SER 71 10.333 1.001 9.039 530 HA SER 71 HA SER 71 12.167 3.038 8.148 531 HB2 SER 71 1HB SER 71 12.317 2.263 10.482 532 HB3 SER 71 2HB SER 71 12.537 0.607 9.953 533 HG SER 71 HG SER 71 14.464 1.740 8.681 534 H GLY 72 H GLY 72 10.742 0.600 6.598 535 HA2 GLY 72 1HA GLY 72 13.118 0.003 4.995 536 HA3 GLY 72 2HA GLY 72 12.247 -1.348 5.694 537 HA PRO 73 HA PRO 73 9.502 0.812 2.452 538 HB2 PRO 73 1HB PRO 73 10.761 2.346 0.574 539 HB3 PRO 73 2HB PRO 73 9.973 3.017 1.988 540 HG2 PRO 73 1HG PRO 73 12.862 2.683 1.459 541 HG3 PRO 73 2HG PRO 73 12.074 3.712 2.639 542 HD2 PRO 73 1HD PRO 73 13.396 1.218 3.148 543 HD3 PRO 73 2HD PRO 73 12.508 2.189 4.306 544 H SER 74 H SER 74 12.733 -0.025 1.366 545 HA SER 74 HA SER 74 11.491 -2.141 -0.150 546 HB2 SER 74 1HB SER 74 12.991 -1.585 -2.140 547 HB3 SER 74 2HB SER 74 11.642 -0.496 -1.881 548 HG SER 74 HG SER 74 14.133 0.236 -2.156 549 H SER 75 H SER 75 12.934 -3.954 -0.497 550 HA SER 75 HA SER 75 14.563 -5.304 -0.016 551 HB2 SER 75 1HB SER 75 15.940 -2.740 -0.462 552 HB3 SER 75 2HB SER 75 16.851 -3.795 0.600 553 HG SER 75 HG SER 75 15.822 -4.512 -2.014 554 H GLY 76 H GLY 76 15.962 -2.674 2.018 555 HA2 GLY 76 1HA GLY 76 14.999 -2.681 4.391 556 HA3 GLY 76 2HA GLY 76 15.484 -4.365 4.384 Start of MODEL 4 1 H1 GLY 1 H GLY 1 2.855 -20.373 9.583 2 HA2 GLY 1 1HA GLY 1 1.375 -21.813 7.634 3 HA3 GLY 1 2HA GLY 1 0.370 -20.588 8.382 4 H SER 2 H SER 2 1.348 -20.689 5.589 5 HA SER 2 HA SER 2 2.127 -18.015 5.398 6 HB2 SER 2 1HB SER 2 4.374 -18.217 4.507 7 HB3 SER 2 2HB SER 2 4.339 -19.007 6.070 8 HG SER 2 HG SER 2 3.739 -20.984 4.497 9 H SER 3 H SER 3 0.824 -17.515 3.674 10 HA SER 3 HA SER 3 0.163 -19.510 1.782 11 HB2 SER 3 1HB SER 3 -1.301 -17.553 2.635 12 HB3 SER 3 2HB SER 3 -0.394 -16.529 1.540 13 HG SER 3 HG SER 3 -1.946 -18.864 0.808 14 H GLY 4 H GLY 4 1.546 -20.116 0.157 15 HA2 GLY 4 1HA GLY 4 3.025 -19.986 -1.528 16 HA3 GLY 4 2HA GLY 4 2.510 -18.327 -1.764 17 H SER 5 H SER 5 4.946 -18.226 -2.362 18 HA SER 5 HA SER 5 6.301 -17.314 0.024 19 HB2 SER 5 1HB SER 5 7.201 -19.545 -1.771 20 HB3 SER 5 2HB SER 5 8.434 -18.421 -1.234 21 HG SER 5 HG SER 5 6.591 -19.617 0.633 22 H SER 6 H SER 6 7.299 -15.343 -0.346 23 HA SER 6 HA SER 6 7.791 -13.500 -1.397 24 HB2 SER 6 1HB SER 6 9.179 -15.634 -2.992 25 HB3 SER 6 2HB SER 6 9.178 -14.015 -3.664 26 HG SER 6 HG SER 6 11.034 -14.402 -2.290 27 H GLY 7 H GLY 7 5.695 -12.709 -1.939 28 HA2 GLY 7 1HA GLY 7 4.981 -13.049 -4.784 29 HA3 GLY 7 2HA GLY 7 3.779 -13.220 -3.521 30 H SER 8 H SER 8 6.241 -10.927 -4.853 31 HA SER 8 HA SER 8 6.297 -8.763 -4.992 32 HB2 SER 8 1HB SER 8 3.444 -9.412 -5.287 33 HB3 SER 8 2HB SER 8 3.677 -7.789 -4.669 34 HG SER 8 HG SER 8 5.418 -8.420 -6.769 35 H HIS 9 H HIS 9 5.955 -6.631 -3.756 36 HA HIS 9 HA HIS 9 6.437 -7.081 -1.044 37 HB2 HIS 9 1HB HIS 9 5.595 -4.450 -2.267 38 HB3 HIS 9 2HB HIS 9 6.599 -4.713 -0.855 39 HD1 HIS 9 1HD HIS 9 8.669 -6.723 -1.949 40 HD2 HIS 9 2HD HIS 9 7.348 -3.345 -4.057 41 HE1 HIS 9 1HE HIS 9 10.497 -6.177 -3.643 42 H GLN 10 H GLN 10 5.121 -5.790 0.720 43 HA GLN 10 HA GLN 10 2.345 -5.596 0.211 44 HB2 GLN 10 1HB GLN 10 3.139 -8.171 0.750 45 HB3 GLN 10 2HB GLN 10 2.819 -7.593 2.373 46 HG2 GLN 10 1HG GLN 10 0.674 -8.264 1.830 47 HG3 GLN 10 2HG GLN 10 0.590 -6.626 1.214 48 HE21 GLN 10 1HE2 GLN 10 0.340 -6.249 -0.901 49 HE22 GLN 10 2HE2 GLN 10 0.220 -7.459 -2.134 50 H LEU 11 H LEU 11 1.949 -3.709 1.281 51 HA LEU 11 HA LEU 11 3.182 -3.424 3.934 52 HB2 LEU 11 1HB LEU 11 3.688 -1.880 1.744 53 HB3 LEU 11 2HB LEU 11 2.382 -0.984 2.493 54 HG LEU 11 HG LEU 11 5.015 -1.742 3.786 55 HD11 LEU 11 1HD1 LEU 11 4.020 0.666 2.379 56 HD12 LEU 11 2HD1 LEU 11 4.903 0.953 3.898 57 HD13 LEU 11 3HD1 LEU 11 5.676 0.043 2.578 58 HD21 LEU 11 1HD2 LEU 11 2.995 -1.755 5.323 59 HD22 LEU 11 2HD2 LEU 11 4.328 -0.664 5.771 60 HD23 LEU 11 3HD2 LEU 11 2.861 -0.009 5.004 61 H ILE 12 H ILE 12 1.780 -3.362 5.605 62 HA ILE 12 HA ILE 12 -1.042 -3.164 4.952 63 HB ILE 12 HB ILE 12 0.490 -3.994 7.411 64 HG12 ILE 12 1HG1 ILE 12 -1.316 -5.976 6.570 65 HG13 ILE 12 2HG1 ILE 12 -0.600 -5.364 5.093 66 HG21 ILE 12 1HG2 ILE 12 -1.465 -2.792 8.181 67 HG22 ILE 12 2HG2 ILE 12 -2.509 -3.718 7.077 68 HG23 ILE 12 3HG2 ILE 12 -1.693 -4.541 8.427 69 HD11 ILE 12 1HD1 ILE 12 1.666 -5.742 5.964 70 HD12 ILE 12 2HD1 ILE 12 1.004 -6.226 7.543 71 HD13 ILE 12 3HD1 ILE 12 0.718 -7.242 6.111 72 H VAL 13 H VAL 13 -1.911 -1.166 4.825 73 HA VAL 13 HA VAL 13 -1.175 0.714 6.945 74 HB VAL 13 HB VAL 13 -1.157 2.530 5.311 75 HG11 VAL 13 1HG1 VAL 13 0.869 0.790 5.862 76 HG12 VAL 13 2HG1 VAL 13 0.838 0.722 4.084 77 HG13 VAL 13 3HG1 VAL 13 1.054 2.283 4.912 78 HG21 VAL 13 1HG2 VAL 13 -1.524 0.301 3.287 79 HG22 VAL 13 2HG2 VAL 13 -2.579 1.706 3.573 80 HG23 VAL 13 3HG2 VAL 13 -0.963 1.937 2.865 81 H LYS 14 H LYS 14 -2.919 1.707 7.889 82 HA LYS 14 HA LYS 14 -5.516 0.932 6.823 83 HB2 LYS 14 1HB LYS 14 -4.795 0.521 9.238 84 HB3 LYS 14 2HB LYS 14 -4.924 2.252 9.480 85 HG2 LYS 14 1HG LYS 14 -7.093 1.682 10.041 86 HG3 LYS 14 2HG LYS 14 -7.327 1.875 8.315 87 HD2 LYS 14 1HD LYS 14 -8.303 -0.232 8.723 88 HD3 LYS 14 2HD LYS 14 -6.705 -0.665 8.146 89 HE2 LYS 14 1HE LYS 14 -5.903 -1.121 10.373 90 HE3 LYS 14 2HE LYS 14 -7.265 -0.308 11.117 91 HZ1 LYS 14 1HZ LYS 14 -7.154 -2.911 10.731 92 HZ2 LYS 14 2HZ LYS 14 -8.561 -2.086 10.825 93 HZ3 LYS 14 3HZ LYS 14 -7.942 -2.483 9.367 94 H ALA 15 H ALA 15 -7.143 2.437 6.280 95 HA ALA 15 HA ALA 15 -6.240 4.784 5.083 96 HB1 ALA 15 1HB ALA 15 -8.215 3.922 4.200 97 HB2 ALA 15 2HB ALA 15 -8.910 3.589 5.805 98 HB3 ALA 15 3HB ALA 15 -8.835 5.260 5.197 99 H ARG 16 H ARG 16 -7.687 6.945 5.724 100 HA ARG 16 HA ARG 16 -7.099 7.328 8.550 101 HB2 ARG 16 1HB ARG 16 -5.467 8.581 7.228 102 HB3 ARG 16 2HB ARG 16 -6.722 9.244 6.200 103 HG2 ARG 16 1HG ARG 16 -7.711 10.330 8.322 104 HG3 ARG 16 2HG ARG 16 -6.241 9.855 9.149 105 HD2 ARG 16 1HD ARG 16 -5.158 11.056 6.933 106 HD3 ARG 16 2HD ARG 16 -6.650 11.965 7.064 107 HE ARG 16 HE ARG 16 -5.706 11.962 9.663 108 HH11 ARG 16 2HH2 ARG 16 -4.284 12.850 6.569 109 HH12 ARG 16 1HH2 ARG 16 -3.229 14.043 7.251 110 HH21 ARG 16 2HH1 ARG 16 -4.315 13.536 10.563 111 HH22 ARG 16 1HH1 ARG 16 -3.248 14.435 9.538 112 H PHE 17 H PHE 17 -8.974 8.608 5.705 113 HA PHE 17 HA PHE 17 -11.314 8.765 7.409 114 HB2 PHE 17 1HB PHE 17 -11.627 11.126 6.960 115 HB3 PHE 17 2HB PHE 17 -9.929 10.989 7.373 116 HD1 PHE 17 2HD PHE 17 -12.267 11.232 4.510 117 HD2 PHE 17 1HD PHE 17 -8.257 11.627 5.841 118 HE1 PHE 17 2HE PHE 17 -11.649 12.302 2.327 119 HE2 PHE 17 1HE PHE 17 -7.638 12.699 3.657 120 HZ PHE 17 HZ PHE 17 -9.342 13.023 1.926 121 H ASN 18 H ASN 18 -13.310 9.378 6.027 122 HA ASN 18 HA ASN 18 -13.661 7.579 4.084 123 HB2 ASN 18 1HB ASN 18 -14.926 10.369 4.075 124 HB3 ASN 18 2HB ASN 18 -15.618 8.919 3.374 125 HD21 ASN 18 1HD2 ASN 18 -16.393 7.265 4.691 126 HD22 ASN 18 2HD2 ASN 18 -16.807 7.508 6.356 127 H PHE 19 H PHE 19 -12.250 7.351 2.314 128 HA PHE 19 HA PHE 19 -11.609 9.801 0.833 129 HB2 PHE 19 1HB PHE 19 -9.645 8.612 1.742 130 HB3 PHE 19 2HB PHE 19 -10.275 7.063 1.221 131 HD1 PHE 19 2HD PHE 19 -10.207 6.433 -1.163 132 HD2 PHE 19 1HD PHE 19 -8.466 10.049 0.218 133 HE1 PHE 19 2HE PHE 19 -8.907 6.623 -3.301 134 HE2 PHE 19 1HE PHE 19 -7.167 10.239 -1.921 135 HZ PHE 19 HZ PHE 19 -7.402 8.524 -3.655 136 H LYS 20 H LYS 20 -12.933 10.041 -0.911 137 HA LYS 20 HA LYS 20 -14.078 7.690 -2.135 138 HB2 LYS 20 1HB LYS 20 -15.464 9.665 -1.705 139 HB3 LYS 20 2HB LYS 20 -14.423 10.647 -2.716 140 HG2 LYS 20 1HG LYS 20 -14.929 8.801 -4.559 141 HG3 LYS 20 2HG LYS 20 -16.302 8.416 -3.540 142 HD2 LYS 20 1HD LYS 20 -15.996 11.325 -3.979 143 HD3 LYS 20 2HD LYS 20 -16.210 10.438 -5.476 144 HE2 LYS 20 1HE LYS 20 -18.113 9.244 -3.833 145 HE3 LYS 20 2HE LYS 20 -18.139 10.902 -3.264 146 HZ1 LYS 20 1HZ LYS 20 -18.427 10.071 -6.069 147 HZ2 LYS 20 2HZ LYS 20 -19.638 10.576 -5.096 148 HZ3 LYS 20 3HZ LYS 20 -18.457 11.615 -5.536 149 H GLN 21 H GLN 21 -13.593 6.868 -4.169 150 HA GLN 21 HA GLN 21 -10.990 7.509 -5.086 151 HB2 GLN 21 1HB GLN 21 -11.288 5.655 -6.617 152 HB3 GLN 21 2HB GLN 21 -11.965 5.188 -5.070 153 HG2 GLN 21 1HG GLN 21 -14.244 6.036 -5.996 154 HG3 GLN 21 2HG GLN 21 -13.469 6.070 -7.566 155 HE21 GLN 21 1HE2 GLN 21 -11.874 3.933 -7.626 156 HE22 GLN 21 2HE2 GLN 21 -12.756 2.450 -7.475 157 H THR 22 H THR 22 -10.390 8.380 -7.163 158 HA THR 22 HA THR 22 -12.260 10.348 -8.117 159 HB THR 22 HB THR 22 -10.273 11.001 -9.512 160 HG1 THR 22 1HG THR 22 -8.524 9.534 -9.509 161 HG21 THR 22 1HG2 THR 22 -9.518 10.236 -6.641 162 HG22 THR 22 2HG2 THR 22 -8.622 11.376 -7.675 163 HG23 THR 22 3HG2 THR 22 -10.268 11.775 -7.129 164 H ASN 23 H ASN 23 -11.678 7.042 -8.776 165 HA ASN 23 HA ASN 23 -13.568 7.070 -10.818 166 HB2 ASN 23 1HB ASN 23 -10.663 7.083 -11.616 167 HB3 ASN 23 2HB ASN 23 -11.693 5.945 -12.459 168 HD21 ASN 23 1HD2 ASN 23 -10.366 8.202 -13.564 169 HD22 ASN 23 2HD2 ASN 23 -11.553 9.295 -14.195 170 H GLU 24 H GLU 24 -13.599 4.694 -11.870 171 HA GLU 24 HA GLU 24 -13.431 2.902 -9.706 172 HB2 GLU 24 1HB GLU 24 -14.196 1.217 -11.431 173 HB3 GLU 24 2HB GLU 24 -15.221 2.632 -11.299 174 HG2 GLU 24 1HG GLU 24 -12.993 2.882 -13.269 175 HG3 GLU 24 2HG GLU 24 -14.195 1.671 -13.670 176 H ASP 25 H ASP 25 -11.051 4.153 -11.702 177 HA ASP 25 HA ASP 25 -9.636 1.734 -12.177 178 HB2 ASP 25 1HB ASP 25 -9.098 4.690 -12.545 179 HB3 ASP 25 2HB ASP 25 -7.749 3.574 -12.633 180 H GLU 26 H GLU 26 -9.550 4.547 -9.912 181 HA GLU 26 HA GLU 26 -7.195 3.612 -8.625 182 HB2 GLU 26 1HB GLU 26 -8.576 6.048 -8.781 183 HB3 GLU 26 2HB GLU 26 -8.821 5.551 -7.119 184 HG2 GLU 26 1HG GLU 26 -6.776 6.604 -6.860 185 HG3 GLU 26 2HG GLU 26 -6.190 5.002 -7.258 186 H LEU 27 H LEU 27 -7.488 3.697 -5.955 187 HA LEU 27 HA LEU 27 -9.255 1.451 -5.467 188 HB2 LEU 27 1HB LEU 27 -6.720 1.886 -4.746 189 HB3 LEU 27 2HB LEU 27 -7.508 2.607 -3.357 190 HG LEU 27 HG LEU 27 -8.527 -0.066 -4.110 191 HD11 LEU 27 1HD1 LEU 27 -6.687 -1.353 -3.479 192 HD12 LEU 27 2HD1 LEU 27 -5.991 -0.106 -4.541 193 HD13 LEU 27 3HD1 LEU 27 -5.829 0.038 -2.774 194 HD21 LEU 27 1HD2 LEU 27 -7.506 0.665 -1.400 195 HD22 LEU 27 2HD2 LEU 27 -8.960 1.490 -2.013 196 HD23 LEU 27 3HD2 LEU 27 -8.935 -0.285 -1.873 197 H SER 28 H SER 28 -10.448 1.483 -3.257 198 HA SER 28 HA SER 28 -11.437 4.165 -2.744 199 HB2 SER 28 1HB SER 28 -13.278 3.532 -3.969 200 HB3 SER 28 2HB SER 28 -12.967 1.819 -3.761 201 HG SER 28 HG SER 28 -14.594 3.521 -2.275 202 H VAL 29 H VAL 29 -11.341 4.595 -0.567 203 HA VAL 29 HA VAL 29 -11.673 2.337 1.264 204 HB VAL 29 HB VAL 29 -9.818 3.338 2.636 205 HG11 VAL 29 1HG1 VAL 29 -8.016 2.460 0.870 206 HG12 VAL 29 2HG1 VAL 29 -9.135 1.360 1.711 207 HG13 VAL 29 3HG1 VAL 29 -9.486 1.886 0.047 208 HG21 VAL 29 1HG2 VAL 29 -9.316 5.449 1.911 209 HG22 VAL 29 2HG2 VAL 29 -8.108 4.540 0.972 210 HG23 VAL 29 3HG2 VAL 29 -9.626 5.060 0.202 211 H CYS 30 H CYS 30 -12.324 3.032 3.462 212 HA CYS 30 HA CYS 30 -13.509 5.711 3.409 213 HB2 CYS 30 1HB CYS 30 -15.267 4.442 4.992 214 HB3 CYS 30 2HB CYS 30 -15.480 4.596 3.260 215 HG CYS 30 HG CYS 30 -14.711 2.334 2.532 216 H LYS 31 H LYS 31 -13.675 3.190 5.965 217 HA LYS 31 HA LYS 31 -11.535 4.498 7.435 218 HB2 LYS 31 1HB LYS 31 -14.106 5.336 7.877 219 HB3 LYS 31 2HB LYS 31 -13.961 4.052 9.060 220 HG2 LYS 31 1HG LYS 31 -12.260 5.133 10.245 221 HG3 LYS 31 2HG LYS 31 -11.649 5.966 8.830 222 HD2 LYS 31 1HD LYS 31 -12.752 7.806 9.585 223 HD3 LYS 31 2HD LYS 31 -14.231 7.011 9.083 224 HE2 LYS 31 1HE LYS 31 -14.804 7.295 11.296 225 HE3 LYS 31 2HE LYS 31 -13.913 5.800 11.499 226 HZ1 LYS 31 1HZ LYS 31 -12.330 8.200 11.538 227 HZ2 LYS 31 2HZ LYS 31 -13.345 8.010 12.802 228 HZ3 LYS 31 3HZ LYS 31 -12.225 6.867 12.475 229 H GLY 32 H GLY 32 -10.512 3.118 8.941 230 HA2 GLY 32 1HA GLY 32 -9.748 1.114 9.626 231 HA3 GLY 32 2HA GLY 32 -11.429 0.750 9.962 232 H ASP 33 H ASP 33 -9.209 1.007 7.086 233 HA ASP 33 HA ASP 33 -10.182 -1.601 6.295 234 HB2 ASP 33 1HB ASP 33 -10.433 0.974 4.771 235 HB3 ASP 33 2HB ASP 33 -9.949 -0.430 3.842 236 H ILE 34 H ILE 34 -8.073 -2.458 6.824 237 HA ILE 34 HA ILE 34 -5.670 -1.214 6.200 238 HB ILE 34 HB ILE 34 -6.599 -3.830 7.120 239 HG12 ILE 34 1HG1 ILE 34 -5.780 -2.292 8.722 240 HG13 ILE 34 2HG1 ILE 34 -4.568 -3.548 8.581 241 HG21 ILE 34 1HG2 ILE 34 -5.390 -4.598 5.145 242 HG22 ILE 34 2HG2 ILE 34 -3.962 -3.657 5.638 243 HG23 ILE 34 3HG2 ILE 34 -4.516 -5.022 6.636 244 HD11 ILE 34 1HD1 ILE 34 -3.585 -1.882 6.702 245 HD12 ILE 34 2HD1 ILE 34 -4.451 -0.683 7.691 246 HD13 ILE 34 3HD1 ILE 34 -3.186 -1.696 8.427 247 H ILE 35 H ILE 35 -4.422 -1.062 4.379 248 HA ILE 35 HA ILE 35 -5.420 -2.534 2.038 249 HB ILE 35 HB ILE 35 -4.185 0.220 2.048 250 HG12 ILE 35 1HG1 ILE 35 -6.964 0.142 1.255 251 HG13 ILE 35 2HG1 ILE 35 -6.787 -0.505 2.874 252 HG21 ILE 35 1HG2 ILE 35 -3.994 -1.328 0.002 253 HG22 ILE 35 2HG2 ILE 35 -5.745 -1.068 -0.184 254 HG23 ILE 35 3HG2 ILE 35 -4.629 0.317 -0.240 255 HD11 ILE 35 1HD1 ILE 35 -7.028 1.828 3.225 256 HD12 ILE 35 2HD1 ILE 35 -5.270 1.571 3.335 257 HD13 ILE 35 3HD1 ILE 35 -5.980 2.234 1.845 258 H TYR 36 H TYR 36 -3.928 -3.682 0.852 259 HA TYR 36 HA TYR 36 -1.268 -3.821 2.032 260 HB2 TYR 36 1HB TYR 36 -2.802 -5.404 -0.125 261 HB3 TYR 36 2HB TYR 36 -1.232 -5.876 0.494 262 HD1 TYR 36 2HD TYR 36 -1.334 -5.744 3.323 263 HD2 TYR 36 1HD TYR 36 -4.491 -6.790 0.631 264 HE1 TYR 36 2HE TYR 36 -2.470 -7.082 5.163 265 HE2 TYR 36 1HE TYR 36 -5.616 -8.125 2.481 266 HH TYR 36 HH TYR 36 -4.864 -9.300 4.562 267 H VAL 37 H VAL 37 0.250 -2.456 1.223 268 HA VAL 37 HA VAL 37 -0.031 -1.455 -1.460 269 HB VAL 37 HB VAL 37 2.228 -1.047 0.502 270 HG11 VAL 37 1HG1 VAL 37 2.874 0.763 -0.775 271 HG12 VAL 37 2HG1 VAL 37 2.273 -0.337 -2.039 272 HG13 VAL 37 3HG1 VAL 37 1.250 1.001 -1.463 273 HG21 VAL 37 1HG2 VAL 37 0.288 1.113 0.423 274 HG22 VAL 37 2HG2 VAL 37 -0.466 -0.412 0.949 275 HG23 VAL 37 3HG2 VAL 37 0.949 0.227 1.818 276 H THR 38 H THR 38 0.723 -2.475 -3.236 277 HA THR 38 HA THR 38 2.840 -4.478 -2.823 278 HB THR 38 HB THR 38 0.834 -5.507 -3.682 279 HG1 THR 38 1HG THR 38 1.617 -5.755 -6.037 280 HG21 THR 38 1HG2 THR 38 0.793 -3.219 -5.722 281 HG22 THR 38 2HG2 THR 38 -0.267 -4.648 -5.773 282 HG23 THR 38 3HG2 THR 38 -0.407 -3.485 -4.433 283 H ARG 39 H ARG 39 1.758 -1.755 -4.923 284 HA ARG 39 HA ARG 39 4.046 -1.875 -6.515 285 HB2 ARG 39 1HB ARG 39 1.916 -0.755 -7.200 286 HB3 ARG 39 2HB ARG 39 2.148 0.462 -5.961 287 HG2 ARG 39 1HG ARG 39 3.463 1.673 -7.353 288 HG3 ARG 39 2HG ARG 39 4.577 0.329 -7.509 289 HD2 ARG 39 1HD ARG 39 1.989 0.374 -9.103 290 HD3 ARG 39 2HD ARG 39 3.397 1.248 -9.671 291 HE ARG 39 HE ARG 39 4.093 -1.472 -8.945 292 HH11 ARG 39 2HH2 ARG 39 2.597 0.453 -11.481 293 HH12 ARG 39 1HH2 ARG 39 2.963 -0.683 -12.737 294 HH21 ARG 39 2HH1 ARG 39 4.577 -2.971 -10.599 295 HH22 ARG 39 1HH1 ARG 39 4.097 -2.645 -12.232 296 H VAL 40 H VAL 40 3.049 0.820 -4.275 297 HA VAL 40 HA VAL 40 4.200 1.983 -2.775 298 HB VAL 40 HB VAL 40 6.506 0.081 -3.220 299 HG11 VAL 40 1HG1 VAL 40 7.581 1.232 -1.641 300 HG12 VAL 40 2HG1 VAL 40 6.269 2.435 -1.672 301 HG13 VAL 40 3HG1 VAL 40 6.201 1.073 -0.528 302 HG21 VAL 40 1HG2 VAL 40 4.122 -0.853 -2.539 303 HG22 VAL 40 2HG2 VAL 40 5.606 -1.444 -1.751 304 HG23 VAL 40 3HG2 VAL 40 4.589 -0.233 -0.937 305 H GLU 41 H GLU 41 3.986 3.616 -4.501 306 HA GLU 41 HA GLU 41 6.491 4.033 -5.918 307 HB2 GLU 41 1HB GLU 41 3.647 4.968 -6.421 308 HB3 GLU 41 2HB GLU 41 5.004 5.743 -7.212 309 HG2 GLU 41 1HG GLU 41 5.115 2.784 -7.349 310 HG3 GLU 41 2HG GLU 41 3.690 3.453 -8.117 311 H GLU 42 H GLU 42 7.455 6.197 -5.953 312 HA GLU 42 HA GLU 42 6.843 7.593 -3.483 313 HB2 GLU 42 1HB GLU 42 9.092 8.543 -3.658 314 HB3 GLU 42 2HB GLU 42 9.178 6.801 -3.827 315 HG2 GLU 42 1HG GLU 42 9.740 6.896 -6.084 316 HG3 GLU 42 2HG GLU 42 8.835 8.371 -6.364 317 H GLY 43 H GLY 43 6.034 7.705 -6.728 318 HA2 GLY 43 1HA GLY 43 6.424 10.336 -7.529 319 HA3 GLY 43 2HA GLY 43 5.127 9.279 -8.050 320 H GLY 44 H GLY 44 3.699 8.836 -5.654 321 HA2 GLY 44 1HA GLY 44 3.163 10.848 -3.937 322 HA3 GLY 44 2HA GLY 44 2.350 11.378 -5.396 323 H TRP 45 H TRP 45 1.836 8.561 -6.347 324 HA TRP 45 HA TRP 45 -0.442 8.060 -4.578 325 HB2 TRP 45 1HB TRP 45 0.084 7.221 -7.435 326 HB3 TRP 45 2HB TRP 45 -1.331 6.779 -6.500 327 HD1 TRP 45 HD TRP 45 0.369 10.084 -7.720 328 HE1 TRP 45 1HE TRP 45 -1.454 11.920 -8.242 329 HE3 TRP 45 3HE TRP 45 -3.617 7.308 -6.215 330 HZ2 TRP 45 2HZ TRP 45 -4.293 12.002 -7.973 331 HZ3 TRP 45 3HZ TRP 45 -5.879 8.341 -6.377 332 HH2 TRP 45 HH TRP 45 -6.252 10.605 -7.220 333 H TRP 46 H TRP 46 -0.957 5.725 -4.133 334 HA TRP 46 HA TRP 46 1.427 4.022 -4.256 335 HB2 TRP 46 1HB TRP 46 0.200 5.151 -1.885 336 HB3 TRP 46 2HB TRP 46 0.136 3.399 -1.853 337 HD1 TRP 46 HD TRP 46 3.160 5.069 -3.536 338 HE1 TRP 46 1HE TRP 46 5.374 4.670 -2.157 339 HE3 TRP 46 3HE TRP 46 0.886 2.999 0.514 340 HZ2 TRP 46 2HZ TRP 46 5.914 3.557 0.415 341 HZ3 TRP 46 3HZ TRP 46 2.330 2.283 2.415 342 HH2 TRP 46 HH TRP 46 4.761 2.534 2.410 343 H GLU 47 H GLU 47 0.924 2.033 -5.103 344 HA GLU 47 HA GLU 47 -1.910 1.485 -5.409 345 HB2 GLU 47 1HB GLU 47 -1.068 1.265 -7.539 346 HB3 GLU 47 2HB GLU 47 0.547 0.877 -6.983 347 HG2 GLU 47 1HG GLU 47 -0.196 -1.418 -6.365 348 HG3 GLU 47 2HG GLU 47 -1.832 -1.036 -6.862 349 H GLY 48 H GLY 48 -2.869 -0.019 -4.112 350 HA2 GLY 48 1HA GLY 48 -1.209 -2.231 -3.098 351 HA3 GLY 48 2HA GLY 48 -2.117 -1.237 -1.977 352 H THR 49 H THR 49 -3.368 -3.133 -1.342 353 HA THR 49 HA THR 49 -5.590 -3.589 -3.182 354 HB THR 49 HB THR 49 -3.539 -5.592 -2.258 355 HG1 THR 49 1HG THR 49 -5.490 -5.307 -4.435 356 HG21 THR 49 1HG2 THR 49 -5.506 -7.294 -2.932 357 HG22 THR 49 2HG2 THR 49 -5.286 -6.793 -1.238 358 HG23 THR 49 3HG2 THR 49 -6.535 -6.016 -2.241 359 H LEU 50 H LEU 50 -7.544 -3.643 -2.199 360 HA LEU 50 HA LEU 50 -7.457 -3.586 0.736 361 HB2 LEU 50 1HB LEU 50 -8.106 -1.466 -0.197 362 HB3 LEU 50 2HB LEU 50 -9.313 -2.224 -1.215 363 HG LEU 50 HG LEU 50 -10.579 -2.904 0.809 364 HD11 LEU 50 1HD1 LEU 50 -10.009 -2.236 2.988 365 HD12 LEU 50 2HD1 LEU 50 -8.503 -2.882 2.293 366 HD13 LEU 50 3HD1 LEU 50 -8.745 -1.122 2.413 367 HD21 LEU 50 1HD2 LEU 50 -10.052 -0.074 0.059 368 HD22 LEU 50 2HD2 LEU 50 -11.552 -1.028 -0.018 369 HD23 LEU 50 3HD2 LEU 50 -10.996 -0.368 1.538 370 H ASN 51 H ASN 51 -9.618 -4.368 1.737 371 HA ASN 51 HA ASN 51 -9.899 -6.982 1.327 372 HB2 ASN 51 1HB ASN 51 -11.879 -4.875 2.273 373 HB3 ASN 51 2HB ASN 51 -12.380 -6.552 2.186 374 HD21 ASN 51 1HD2 ASN 51 -10.782 -4.179 3.966 375 HD22 ASN 51 2HD2 ASN 51 -10.096 -5.154 5.223 376 H GLY 52 H GLY 52 -10.018 -7.659 -0.895 377 HA2 GLY 52 1HA GLY 52 -11.043 -8.228 -2.814 378 HA3 GLY 52 2HA GLY 52 -12.570 -7.778 -2.080 379 H ARG 53 H ARG 53 -9.864 -5.466 -2.324 380 HA ARG 53 HA ARG 53 -11.240 -4.220 -4.555 381 HB2 ARG 53 1HB ARG 53 -10.940 -3.174 -1.831 382 HB3 ARG 53 2HB ARG 53 -10.162 -2.105 -2.981 383 HG2 ARG 53 1HG ARG 53 -12.911 -3.150 -3.661 384 HG3 ARG 53 2HG ARG 53 -12.787 -1.911 -2.427 385 HD2 ARG 53 1HD ARG 53 -11.310 -0.604 -4.144 386 HD3 ARG 53 2HD ARG 53 -11.906 -1.740 -5.337 387 HE ARG 53 HE ARG 53 -13.995 -0.451 -3.699 388 HH11 ARG 53 2HH2 ARG 53 -12.137 -0.370 -6.686 389 HH12 ARG 53 1HH2 ARG 53 -13.282 0.626 -7.521 390 HH21 ARG 53 2HH1 ARG 53 -15.505 0.864 -4.800 391 HH22 ARG 53 1HH1 ARG 53 -15.210 1.333 -6.441 392 H THR 54 H THR 54 -9.732 -2.333 -5.470 393 HA THR 54 HA THR 54 -6.931 -2.643 -4.967 394 HB THR 54 HB THR 54 -8.303 -4.111 -7.193 395 HG1 THR 54 1HG THR 54 -7.115 -5.251 -5.592 396 HG21 THR 54 1HG2 THR 54 -6.431 -3.909 -8.720 397 HG22 THR 54 2HG2 THR 54 -6.935 -2.244 -8.344 398 HG23 THR 54 3HG2 THR 54 -5.503 -2.941 -7.550 399 H GLY 55 H GLY 55 -5.642 -1.254 -6.592 400 HA2 GLY 55 1HA GLY 55 -6.137 0.539 -8.298 401 HA3 GLY 55 2HA GLY 55 -7.261 1.163 -7.106 402 H TRP 56 H TRP 56 -5.758 3.124 -7.420 403 HA TRP 56 HA TRP 56 -3.339 2.825 -5.785 404 HB2 TRP 56 1HB TRP 56 -4.111 4.885 -7.856 405 HB3 TRP 56 2HB TRP 56 -2.700 5.012 -6.824 406 HD1 TRP 56 HD TRP 56 -4.069 2.224 -9.224 407 HE1 TRP 56 1HE TRP 56 -2.098 1.189 -10.640 408 HE3 TRP 56 3HE TRP 56 -0.391 5.058 -7.152 409 HZ2 TRP 56 2HZ TRP 56 0.715 1.660 -10.734 410 HZ3 TRP 56 3HZ TRP 56 1.940 4.709 -7.962 411 HH2 TRP 56 HH TRP 56 2.519 3.079 -9.690 412 H PHE 57 H PHE 57 -2.885 4.868 -4.398 413 HA PHE 57 HA PHE 57 -5.029 6.542 -3.702 414 HB2 PHE 57 1HB PHE 57 -5.552 5.527 -1.503 415 HB3 PHE 57 2HB PHE 57 -5.787 4.304 -2.735 416 HD1 PHE 57 1HD PHE 57 -3.616 5.411 0.009 417 HD2 PHE 57 2HD PHE 57 -4.353 2.372 -2.861 418 HE1 PHE 57 1HE PHE 57 -2.039 3.882 1.222 419 HE2 PHE 57 2HE PHE 57 -2.775 0.843 -1.646 420 HZ PHE 57 HZ PHE 57 -1.637 1.617 0.381 421 HA PRO 58 HA PRO 58 -1.730 8.549 -1.743 422 HB2 PRO 58 1HB PRO 58 -2.960 10.094 0.146 423 HB3 PRO 58 2HB PRO 58 -2.906 10.520 -1.553 424 HG2 PRO 58 1HG PRO 58 -5.172 9.456 0.019 425 HG3 PRO 58 2HG PRO 58 -5.199 10.274 -1.531 426 HD2 PRO 58 1HD PRO 58 -5.494 7.459 -1.071 427 HD3 PRO 58 2HD PRO 58 -5.405 8.263 -2.625 428 H SER 59 H SER 59 -0.090 7.795 -0.572 429 HA SER 59 HA SER 59 -0.817 6.043 1.554 430 HB2 SER 59 1HB SER 59 1.419 5.338 1.519 431 HB3 SER 59 2HB SER 59 1.166 5.834 -0.143 432 HG SER 59 HG SER 59 1.971 8.057 0.830 433 H ASN 60 H ASN 60 0.037 9.412 1.130 434 HA ASN 60 HA ASN 60 1.181 9.843 3.636 435 HB2 ASN 60 1HB ASN 60 0.760 11.354 1.345 436 HB3 ASN 60 2HB ASN 60 -0.404 12.077 2.437 437 HD21 ASN 60 1HD2 ASN 60 1.537 13.649 1.606 438 HD22 ASN 60 2HD2 ASN 60 2.726 13.962 2.825 439 H TYR 61 H TYR 61 -2.159 9.824 2.313 440 HA TYR 61 HA TYR 61 -3.401 11.019 4.551 441 HB2 TYR 61 1HB TYR 61 -4.161 9.201 2.201 442 HB3 TYR 61 2HB TYR 61 -5.381 9.656 3.374 443 HD1 TYR 61 2HD TYR 61 -2.624 11.574 1.684 444 HD2 TYR 61 1HD TYR 61 -6.817 11.231 2.463 445 HE1 TYR 61 2HE TYR 61 -3.045 13.737 0.415 446 HE2 TYR 61 1HE TYR 61 -7.223 13.395 1.192 447 HH TYR 61 HH TYR 61 -5.706 14.599 -0.842 448 H VAL 62 H VAL 62 -3.453 7.561 3.409 449 HA VAL 62 HA VAL 62 -4.564 6.617 5.801 450 HB VAL 62 HB VAL 62 -4.205 4.467 4.898 451 HG11 VAL 62 1HG1 VAL 62 -5.488 6.446 3.489 452 HG12 VAL 62 2HG1 VAL 62 -4.409 5.754 2.255 453 HG13 VAL 62 3HG1 VAL 62 -5.561 4.706 3.117 454 HG21 VAL 62 1HG2 VAL 62 -1.751 4.827 4.426 455 HG22 VAL 62 2HG2 VAL 62 -2.631 3.895 3.190 456 HG23 VAL 62 3HG2 VAL 62 -2.229 5.604 2.899 457 H ARG 63 H ARG 63 -3.552 5.280 7.473 458 HA ARG 63 HA ARG 63 -0.917 6.312 8.035 459 HB2 ARG 63 1HB ARG 63 -3.164 5.993 9.628 460 HB3 ARG 63 2HB ARG 63 -2.255 4.555 10.044 461 HG2 ARG 63 1HG ARG 63 -0.228 6.024 10.471 462 HG3 ARG 63 2HG ARG 63 -1.234 7.430 10.185 463 HD2 ARG 63 1HD ARG 63 -2.791 6.565 12.040 464 HD3 ARG 63 2HD ARG 63 -1.574 5.358 12.402 465 HE ARG 63 HE ARG 63 -0.333 7.949 12.319 466 HH11 ARG 63 2HH2 ARG 63 -2.497 6.023 14.316 467 HH12 ARG 63 1HH2 ARG 63 -2.060 6.824 15.788 468 HH21 ARG 63 2HH1 ARG 63 0.244 9.008 14.260 469 HH22 ARG 63 1HH1 ARG 63 -0.490 8.535 15.756 470 H GLU 64 H GLU 64 0.764 4.780 8.945 471 HA GLU 64 HA GLU 64 0.549 2.246 7.547 472 HB2 GLU 64 1HB GLU 64 2.523 3.303 6.845 473 HB3 GLU 64 2HB GLU 64 2.849 3.990 8.423 474 HG2 GLU 64 1HG GLU 64 3.988 2.138 9.133 475 HG3 GLU 64 2HG GLU 64 2.800 1.035 8.466 476 H ILE 65 H ILE 65 0.728 0.251 8.618 477 HA ILE 65 HA ILE 65 0.642 0.458 11.539 478 HB ILE 65 HB ILE 65 -0.325 -1.741 9.707 479 HG12 ILE 65 1HG1 ILE 65 -1.623 0.333 9.455 480 HG13 ILE 65 2HG1 ILE 65 -2.564 -0.958 10.175 481 HG21 ILE 65 1HG2 ILE 65 -0.588 -1.370 12.703 482 HG22 ILE 65 2HG2 ILE 65 -1.446 -2.598 11.741 483 HG23 ILE 65 3HG2 ILE 65 0.330 -2.637 11.853 484 HD11 ILE 65 1HD1 ILE 65 -2.203 -0.009 12.432 485 HD12 ILE 65 2HD1 ILE 65 -1.181 1.272 11.740 486 HD13 ILE 65 3HD1 ILE 65 -2.917 1.210 11.351 487 H LYS 66 H LYS 66 2.189 -1.210 8.753 488 HA LYS 66 HA LYS 66 3.798 -2.885 10.352 489 HB2 LYS 66 1HB LYS 66 3.821 -2.025 7.465 490 HB3 LYS 66 2HB LYS 66 5.139 -2.974 8.122 491 HG2 LYS 66 1HG LYS 66 2.722 -4.202 9.047 492 HG3 LYS 66 2HG LYS 66 2.477 -3.850 7.348 493 HD2 LYS 66 1HD LYS 66 3.528 -5.915 7.160 494 HD3 LYS 66 2HD LYS 66 4.934 -4.872 7.096 495 HE2 LYS 66 1HE LYS 66 5.600 -5.388 9.291 496 HE3 LYS 66 2HE LYS 66 3.972 -5.777 9.811 497 HZ1 LYS 66 1HZ LYS 66 5.809 -7.413 8.246 498 HZ2 LYS 66 2HZ LYS 66 4.970 -7.810 9.591 499 HZ3 LYS 66 3HZ LYS 66 4.200 -7.686 8.155 500 H SER 67 H SER 67 5.234 -2.148 11.824 501 HA SER 67 HA SER 67 6.413 0.420 11.426 502 HB2 SER 67 1HB SER 67 6.147 -1.546 13.630 503 HB3 SER 67 2HB SER 67 7.683 -0.702 13.626 504 HG SER 67 HG SER 67 6.634 1.289 13.807 505 H SER 68 H SER 68 7.081 -2.801 10.472 506 HA SER 68 HA SER 68 9.939 -2.421 10.547 507 HB2 SER 68 1HB SER 68 10.039 -4.763 9.738 508 HB3 SER 68 2HB SER 68 9.054 -4.626 11.180 509 HG SER 68 HG SER 68 7.569 -4.285 8.841 510 H GLU 69 H GLU 69 7.310 -1.645 8.542 511 HA GLU 69 HA GLU 69 8.739 -2.101 6.087 512 HB2 GLU 69 1HB GLU 69 5.956 -1.172 6.816 513 HB3 GLU 69 2HB GLU 69 6.569 -0.845 5.206 514 HG2 GLU 69 1HG GLU 69 6.726 -3.638 6.400 515 HG3 GLU 69 2HG GLU 69 5.266 -3.079 5.611 516 H ARG 70 H ARG 70 7.820 0.540 8.312 517 HA ARG 70 HA ARG 70 8.475 2.607 6.563 518 HB2 ARG 70 1HB ARG 70 7.747 2.284 9.403 519 HB3 ARG 70 2HB ARG 70 8.918 3.569 9.184 520 HG2 ARG 70 1HG ARG 70 7.361 4.366 7.223 521 HG3 ARG 70 2HG ARG 70 6.155 3.317 7.943 522 HD2 ARG 70 1HD ARG 70 7.636 5.351 9.651 523 HD3 ARG 70 2HD ARG 70 6.253 5.838 8.692 524 HE ARG 70 HE ARG 70 5.692 3.451 10.268 525 HH11 ARG 70 2HH2 ARG 70 5.861 6.964 10.399 526 HH12 ARG 70 1HH2 ARG 70 4.758 7.095 11.727 527 HH21 ARG 70 2HH1 ARG 70 4.238 3.625 12.022 528 HH22 ARG 70 1HH1 ARG 70 3.830 5.184 12.658 529 H SER 71 H SER 71 10.298 0.765 9.072 530 HA SER 71 HA SER 71 12.642 2.352 8.522 531 HB2 SER 71 1HB SER 71 13.615 1.302 10.448 532 HB3 SER 71 2HB SER 71 11.955 1.666 10.874 533 HG SER 71 HG SER 71 12.928 -0.600 11.319 534 H GLY 72 H GLY 72 11.205 0.195 6.709 535 HA2 GLY 72 1HA GLY 72 13.591 -0.821 5.535 536 HA3 GLY 72 2HA GLY 72 12.759 -2.073 6.436 537 HA PRO 73 HA PRO 73 10.157 -0.649 2.702 538 HB2 PRO 73 1HB PRO 73 11.595 0.156 0.521 539 HB3 PRO 73 2HB PRO 73 10.853 1.276 1.646 540 HG2 PRO 73 1HG PRO 73 13.703 0.544 1.369 541 HG3 PRO 73 2HG PRO 73 13.000 1.938 2.165 542 HD2 PRO 73 1HD PRO 73 14.058 -0.411 3.429 543 HD3 PRO 73 2HD PRO 73 13.252 0.931 4.217 544 H SER 74 H SER 74 10.225 -3.011 3.256 545 HA SER 74 HA SER 74 9.985 -4.993 2.351 546 HB2 SER 74 1HB SER 74 10.176 -3.451 0.029 547 HB3 SER 74 2HB SER 74 11.448 -4.637 -0.192 548 HG SER 74 HG SER 74 8.628 -5.015 0.006 549 H SER 75 H SER 75 11.503 -5.673 4.005 550 HA SER 75 HA SER 75 14.125 -6.264 2.876 551 HB2 SER 75 1HB SER 75 14.330 -4.444 4.538 552 HB3 SER 75 2HB SER 75 13.488 -5.408 5.734 553 HG SER 75 HG SER 75 15.934 -6.293 4.474 554 H GLY 76 H GLY 76 15.110 -8.283 3.679 555 HA2 GLY 76 1HA GLY 76 13.627 -10.501 3.666 556 HA3 GLY 76 2HA GLY 76 15.101 -10.359 4.602 Start of MODEL 5 1 H1 GLY 1 H GLY 1 10.003 -29.232 -11.119 2 HA2 GLY 1 1HA GLY 1 9.398 -28.249 -13.409 3 HA3 GLY 1 2HA GLY 1 8.187 -28.194 -12.144 4 H SER 2 H SER 2 8.603 -26.360 -14.478 5 HA SER 2 HA SER 2 9.250 -23.929 -13.012 6 HB2 SER 2 1HB SER 2 10.444 -24.637 -15.248 7 HB3 SER 2 2HB SER 2 8.966 -24.104 -16.026 8 HG SER 2 HG SER 2 9.356 -22.054 -14.617 9 H SER 3 H SER 3 7.714 -22.238 -12.886 10 HA SER 3 HA SER 3 5.218 -22.703 -14.292 11 HB2 SER 3 1HB SER 3 4.739 -23.601 -12.115 12 HB3 SER 3 2HB SER 3 5.561 -22.285 -11.301 13 HG SER 3 HG SER 3 3.437 -21.506 -12.995 14 H GLY 4 H GLY 4 6.889 -20.459 -11.954 15 HA2 GLY 4 1HA GLY 4 7.011 -18.316 -13.795 16 HA3 GLY 4 2HA GLY 4 5.616 -18.117 -12.752 17 H SER 5 H SER 5 6.112 -16.649 -11.177 18 HA SER 5 HA SER 5 8.127 -17.301 -9.328 19 HB2 SER 5 1HB SER 5 9.637 -15.442 -9.628 20 HB3 SER 5 2HB SER 5 9.499 -16.253 -11.175 21 HG SER 5 HG SER 5 7.549 -14.433 -11.189 22 H SER 6 H SER 6 7.982 -15.914 -7.397 23 HA SER 6 HA SER 6 5.775 -14.025 -7.520 24 HB2 SER 6 1HB SER 6 6.034 -16.469 -5.810 25 HB3 SER 6 2HB SER 6 5.434 -15.032 -5.008 26 HG SER 6 HG SER 6 4.262 -15.547 -7.521 27 H GLY 7 H GLY 7 6.241 -12.087 -6.493 28 HA2 GLY 7 1HA GLY 7 8.321 -12.047 -4.432 29 HA3 GLY 7 2HA GLY 7 8.602 -11.116 -5.890 30 H SER 8 H SER 8 8.307 -8.989 -5.327 31 HA SER 8 HA SER 8 7.336 -7.162 -4.670 32 HB2 SER 8 1HB SER 8 4.825 -8.845 -5.012 33 HB3 SER 8 2HB SER 8 4.748 -7.154 -4.560 34 HG SER 8 HG SER 8 6.408 -7.212 -6.641 35 H HIS 9 H HIS 9 6.292 -6.051 -2.763 36 HA HIS 9 HA HIS 9 6.373 -7.836 -0.443 37 HB2 HIS 9 1HB HIS 9 7.031 -4.892 -0.711 38 HB3 HIS 9 2HB HIS 9 6.891 -5.718 0.828 39 HD1 HIS 9 1HD HIS 9 9.084 -5.526 -2.247 40 HD2 HIS 9 2HD HIS 9 9.065 -7.356 1.528 41 HE1 HIS 9 1HE HIS 9 11.426 -6.480 -1.903 42 H GLN 10 H GLN 10 5.073 -6.535 1.493 43 HA GLN 10 HA GLN 10 2.591 -5.572 0.359 44 HB2 GLN 10 1HB GLN 10 2.689 -8.186 0.994 45 HB3 GLN 10 2HB GLN 10 2.378 -7.565 2.603 46 HG2 GLN 10 1HG GLN 10 0.381 -6.325 1.736 47 HG3 GLN 10 2HG GLN 10 0.691 -6.951 0.129 48 HE21 GLN 10 1HE2 GLN 10 -0.835 -8.353 -0.308 49 HE22 GLN 10 2HE2 GLN 10 -1.350 -9.680 0.681 50 H LEU 11 H LEU 11 2.147 -3.651 1.342 51 HA LEU 11 HA LEU 11 3.213 -3.276 4.047 52 HB2 LEU 11 1HB LEU 11 3.589 -1.782 1.782 53 HB3 LEU 11 2HB LEU 11 2.269 -0.930 2.557 54 HG LEU 11 HG LEU 11 4.939 -1.567 3.842 55 HD11 LEU 11 1HD1 LEU 11 5.009 1.057 3.756 56 HD12 LEU 11 2HD1 LEU 11 5.504 0.084 2.350 57 HD13 LEU 11 3HD1 LEU 11 3.890 0.833 2.390 58 HD21 LEU 11 1HD2 LEU 11 2.610 0.072 4.878 59 HD22 LEU 11 2HD2 LEU 11 3.145 -1.511 5.489 60 HD23 LEU 11 3HD2 LEU 11 4.203 -0.088 5.656 61 H ILE 12 H ILE 12 1.798 -3.344 5.703 62 HA ILE 12 HA ILE 12 -1.028 -3.237 5.049 63 HB ILE 12 HB ILE 12 0.552 -4.096 7.461 64 HG12 ILE 12 1HG1 ILE 12 -1.265 -6.069 6.647 65 HG13 ILE 12 2HG1 ILE 12 -0.634 -5.411 5.150 66 HG21 ILE 12 1HG2 ILE 12 -1.429 -2.875 8.249 67 HG22 ILE 12 2HG2 ILE 12 -2.466 -3.915 7.245 68 HG23 ILE 12 3HG2 ILE 12 -1.538 -4.618 8.592 69 HD11 ILE 12 1HD1 ILE 12 1.076 -6.368 7.493 70 HD12 ILE 12 2HD1 ILE 12 0.774 -7.281 5.996 71 HD13 ILE 12 3HD1 ILE 12 1.689 -5.755 5.940 72 H VAL 13 H VAL 13 -1.912 -1.240 4.913 73 HA VAL 13 HA VAL 13 -1.253 0.614 7.087 74 HB VAL 13 HB VAL 13 -1.179 2.449 5.556 75 HG11 VAL 13 1HG1 VAL 13 0.569 0.571 4.051 76 HG12 VAL 13 2HG1 VAL 13 0.955 2.118 4.845 77 HG13 VAL 13 3HG1 VAL 13 0.797 0.633 5.815 78 HG21 VAL 13 1HG2 VAL 13 -1.282 2.084 3.081 79 HG22 VAL 13 2HG2 VAL 13 -1.825 0.417 3.396 80 HG23 VAL 13 3HG2 VAL 13 -2.825 1.793 3.921 81 H LYS 14 H LYS 14 -3.006 1.828 7.874 82 HA LYS 14 HA LYS 14 -5.596 0.902 6.858 83 HB2 LYS 14 1HB LYS 14 -4.911 0.408 9.252 84 HB3 LYS 14 2HB LYS 14 -5.005 2.130 9.561 85 HG2 LYS 14 1HG LYS 14 -7.187 1.598 10.095 86 HG3 LYS 14 2HG LYS 14 -7.415 1.833 8.373 87 HD2 LYS 14 1HD LYS 14 -8.411 -0.264 8.664 88 HD3 LYS 14 2HD LYS 14 -6.788 -0.734 8.198 89 HE2 LYS 14 1HE LYS 14 -6.157 -1.248 10.452 90 HE3 LYS 14 2HE LYS 14 -7.500 -0.349 11.128 91 HZ1 LYS 14 1HZ LYS 14 -8.198 -2.508 11.240 92 HZ2 LYS 14 2HZ LYS 14 -8.900 -2.038 9.844 93 HZ3 LYS 14 3HZ LYS 14 -7.544 -2.946 9.810 94 H ALA 15 H ALA 15 -7.220 2.386 6.302 95 HA ALA 15 HA ALA 15 -6.331 4.804 5.231 96 HB1 ALA 15 1HB ALA 15 -8.989 3.495 5.773 97 HB2 ALA 15 2HB ALA 15 -8.946 5.197 5.253 98 HB3 ALA 15 3HB ALA 15 -8.236 3.932 4.222 99 H ARG 16 H ARG 16 -7.773 6.924 5.876 100 HA ARG 16 HA ARG 16 -7.290 7.214 8.731 101 HB2 ARG 16 1HB ARG 16 -5.766 8.630 7.444 102 HB3 ARG 16 2HB ARG 16 -7.076 9.236 6.450 103 HG2 ARG 16 1HG ARG 16 -8.123 10.165 8.621 104 HG3 ARG 16 2HG ARG 16 -6.610 9.776 9.415 105 HD2 ARG 16 1HD ARG 16 -5.508 11.145 7.431 106 HD3 ARG 16 2HD ARG 16 -7.116 11.804 7.215 107 HE ARG 16 HE ARG 16 -6.234 11.894 10.000 108 HH11 ARG 16 2HH2 ARG 16 -6.113 13.564 6.906 109 HH12 ARG 16 1HH2 ARG 16 -5.798 15.115 7.610 110 HH21 ARG 16 2HH1 ARG 16 -5.819 13.939 10.931 111 HH22 ARG 16 1HH1 ARG 16 -5.630 15.330 9.915 112 H PHE 17 H PHE 17 -9.290 8.417 5.942 113 HA PHE 17 HA PHE 17 -11.613 8.360 7.673 114 HB2 PHE 17 1HB PHE 17 -12.115 10.702 7.269 115 HB3 PHE 17 2HB PHE 17 -10.417 10.681 7.703 116 HD1 PHE 17 2HD PHE 17 -12.788 11.034 4.914 117 HD2 PHE 17 1HD PHE 17 -8.724 11.272 6.111 118 HE1 PHE 17 2HE PHE 17 -12.224 12.206 2.766 119 HE2 PHE 17 1HE PHE 17 -8.161 12.445 3.964 120 HZ PHE 17 HZ PHE 17 -9.917 12.898 2.318 121 H ASN 18 H ASN 18 -13.597 9.244 6.169 122 HA ASN 18 HA ASN 18 -13.938 7.344 4.261 123 HB2 ASN 18 1HB ASN 18 -15.201 10.136 4.339 124 HB3 ASN 18 2HB ASN 18 -15.856 8.761 3.471 125 HD21 ASN 18 1HD2 ASN 18 -17.219 10.207 5.438 126 HD22 ASN 18 2HD2 ASN 18 -17.543 9.182 6.796 127 H PHE 19 H PHE 19 -12.687 7.099 2.397 128 HA PHE 19 HA PHE 19 -11.930 9.562 0.988 129 HB2 PHE 19 1HB PHE 19 -10.039 8.212 1.931 130 HB3 PHE 19 2HB PHE 19 -10.685 6.756 1.198 131 HD1 PHE 19 1HD PHE 19 -9.065 9.991 0.479 132 HD2 PHE 19 2HD PHE 19 -10.235 6.222 -1.079 133 HE1 PHE 19 1HE PHE 19 -7.675 10.406 -1.570 134 HE2 PHE 19 2HE PHE 19 -8.846 6.636 -3.128 135 HZ PHE 19 HZ PHE 19 -7.582 8.723 -3.349 136 H LYS 20 H LYS 20 -12.654 9.834 -1.084 137 HA LYS 20 HA LYS 20 -14.104 7.566 -2.236 138 HB2 LYS 20 1HB LYS 20 -15.341 9.694 -1.782 139 HB3 LYS 20 2HB LYS 20 -14.299 10.510 -2.929 140 HG2 LYS 20 1HG LYS 20 -15.009 8.754 -4.665 141 HG3 LYS 20 2HG LYS 20 -16.202 8.197 -3.509 142 HD2 LYS 20 1HD LYS 20 -17.268 10.423 -3.465 143 HD3 LYS 20 2HD LYS 20 -16.016 11.081 -4.499 144 HE2 LYS 20 1HE LYS 20 -16.811 9.007 -6.076 145 HE3 LYS 20 2HE LYS 20 -18.308 9.273 -5.206 146 HZ1 LYS 20 1HZ LYS 20 -16.826 11.222 -6.817 147 HZ2 LYS 20 2HZ LYS 20 -18.339 10.661 -7.067 148 HZ3 LYS 20 3HZ LYS 20 -18.037 11.660 -5.811 149 H GLN 21 H GLN 21 -13.599 6.758 -4.278 150 HA GLN 21 HA GLN 21 -10.953 7.438 -5.140 151 HB2 GLN 21 1HB GLN 21 -11.109 5.461 -6.540 152 HB3 GLN 21 2HB GLN 21 -11.754 5.062 -4.960 153 HG2 GLN 21 1HG GLN 21 -14.088 5.633 -5.913 154 HG3 GLN 21 2HG GLN 21 -13.332 5.684 -7.493 155 HE21 GLN 21 1HE2 GLN 21 -11.692 3.727 -7.746 156 HE22 GLN 21 2HE2 GLN 21 -12.381 2.167 -7.450 157 H THR 22 H THR 22 -10.387 8.258 -7.230 158 HA THR 22 HA THR 22 -12.311 10.051 -8.322 159 HB THR 22 HB THR 22 -10.430 10.765 -9.672 160 HG1 THR 22 1HG THR 22 -9.237 8.226 -8.818 161 HG21 THR 22 1HG2 THR 22 -10.063 10.314 -6.873 162 HG22 THR 22 2HG2 THR 22 -8.573 9.748 -7.664 163 HG23 THR 22 3HG2 THR 22 -9.131 11.420 -7.910 164 H ASN 23 H ASN 23 -11.559 6.701 -8.844 165 HA ASN 23 HA ASN 23 -13.648 6.490 -10.674 166 HB2 ASN 23 1HB ASN 23 -10.844 6.674 -11.771 167 HB3 ASN 23 2HB ASN 23 -11.882 5.448 -12.471 168 HD21 ASN 23 1HD2 ASN 23 -10.818 7.763 -13.751 169 HD22 ASN 23 2HD2 ASN 23 -12.134 8.753 -14.287 170 H GLU 24 H GLU 24 -13.859 4.112 -11.386 171 HA GLU 24 HA GLU 24 -13.337 2.428 -9.291 172 HB2 GLU 24 1HB GLU 24 -14.071 0.622 -10.805 173 HB3 GLU 24 2HB GLU 24 -15.092 2.034 -10.984 174 HG2 GLU 24 1HG GLU 24 -13.449 2.706 -12.926 175 HG3 GLU 24 2HG GLU 24 -12.925 1.035 -12.863 176 H ASP 25 H ASP 25 -11.235 3.541 -11.830 177 HA ASP 25 HA ASP 25 -9.585 1.323 -12.045 178 HB2 ASP 25 1HB ASP 25 -9.691 3.480 -13.486 179 HB3 ASP 25 2HB ASP 25 -8.694 4.229 -12.255 180 H GLU 26 H GLU 26 -9.603 4.251 -9.919 181 HA GLU 26 HA GLU 26 -7.193 3.446 -8.625 182 HB2 GLU 26 1HB GLU 26 -8.567 5.861 -8.956 183 HB3 GLU 26 2HB GLU 26 -8.814 5.498 -7.259 184 HG2 GLU 26 1HG GLU 26 -6.745 6.397 -6.932 185 HG3 GLU 26 2HG GLU 26 -6.123 4.887 -7.567 186 H LEU 27 H LEU 27 -7.359 3.630 -5.998 187 HA LEU 27 HA LEU 27 -9.198 1.499 -5.300 188 HB2 LEU 27 1HB LEU 27 -6.608 1.846 -4.739 189 HB3 LEU 27 2HB LEU 27 -7.285 2.671 -3.349 190 HG LEU 27 HG LEU 27 -8.476 0.025 -3.898 191 HD11 LEU 27 1HD1 LEU 27 -5.990 -0.188 -4.503 192 HD12 LEU 27 2HD1 LEU 27 -5.684 0.049 -2.765 193 HD13 LEU 27 3HD1 LEU 27 -6.664 -1.331 -3.316 194 HD21 LEU 27 1HD2 LEU 27 -8.455 -0.180 -1.532 195 HD22 LEU 27 2HD2 LEU 27 -7.267 1.134 -1.358 196 HD23 LEU 27 3HD2 LEU 27 -8.922 1.497 -1.902 197 H SER 28 H SER 28 -10.379 1.665 -3.151 198 HA SER 28 HA SER 28 -11.067 4.406 -2.529 199 HB2 SER 28 1HB SER 28 -12.736 2.697 -4.090 200 HB3 SER 28 2HB SER 28 -13.477 2.780 -2.505 201 HG SER 28 HG SER 28 -13.622 5.037 -2.654 202 H VAL 29 H VAL 29 -11.395 4.706 -0.315 203 HA VAL 29 HA VAL 29 -11.899 2.331 1.300 204 HB VAL 29 HB VAL 29 -10.121 3.131 2.890 205 HG11 VAL 29 1HG1 VAL 29 -9.583 1.914 0.199 206 HG12 VAL 29 2HG1 VAL 29 -8.214 2.269 1.279 207 HG13 VAL 29 3HG1 VAL 29 -9.514 1.180 1.819 208 HG21 VAL 29 1HG2 VAL 29 -9.506 4.919 0.539 209 HG22 VAL 29 2HG2 VAL 29 -9.621 5.328 2.267 210 HG23 VAL 29 3HG2 VAL 29 -8.225 4.404 1.663 211 H CYS 30 H CYS 30 -12.879 2.822 3.361 212 HA CYS 30 HA CYS 30 -13.990 5.532 3.389 213 HB2 CYS 30 1HB CYS 30 -15.193 2.863 3.876 214 HB3 CYS 30 2HB CYS 30 -15.674 4.120 4.998 215 HG CYS 30 HG CYS 30 -17.016 5.477 3.556 216 H LYS 31 H LYS 31 -13.758 2.853 5.829 217 HA LYS 31 HA LYS 31 -11.816 4.337 7.353 218 HB2 LYS 31 1HB LYS 31 -14.408 5.038 7.820 219 HB3 LYS 31 2HB LYS 31 -14.225 3.721 8.962 220 HG2 LYS 31 1HG LYS 31 -12.780 4.904 10.290 221 HG3 LYS 31 2HG LYS 31 -11.893 5.549 8.923 222 HD2 LYS 31 1HD LYS 31 -13.076 7.498 8.938 223 HD3 LYS 31 2HD LYS 31 -14.611 6.662 9.054 224 HE2 LYS 31 1HE LYS 31 -14.206 6.316 11.521 225 HE3 LYS 31 2HE LYS 31 -12.713 7.223 11.384 226 HZ1 LYS 31 1HZ LYS 31 -13.898 9.047 11.591 227 HZ2 LYS 31 2HZ LYS 31 -14.717 8.727 10.214 228 HZ3 LYS 31 3HZ LYS 31 -15.297 8.205 11.649 229 H GLY 32 H GLY 32 -10.792 3.021 8.965 230 HA2 GLY 32 1HA GLY 32 -9.858 1.048 9.552 231 HA3 GLY 32 2HA GLY 32 -11.509 0.604 9.938 232 H ASP 33 H ASP 33 -9.377 0.950 7.006 233 HA ASP 33 HA ASP 33 -10.339 -1.672 6.213 234 HB2 ASP 33 1HB ASP 33 -9.946 0.654 4.277 235 HB3 ASP 33 2HB ASP 33 -10.566 -0.938 3.884 236 H ILE 34 H ILE 34 -8.236 -2.500 6.904 237 HA ILE 34 HA ILE 34 -5.802 -1.341 6.323 238 HB ILE 34 HB ILE 34 -6.820 -3.918 7.236 239 HG12 ILE 34 1HG1 ILE 34 -5.955 -2.392 8.829 240 HG13 ILE 34 2HG1 ILE 34 -4.799 -3.705 8.718 241 HG21 ILE 34 1HG2 ILE 34 -5.598 -4.705 5.246 242 HG22 ILE 34 2HG2 ILE 34 -4.134 -3.881 5.833 243 HG23 ILE 34 3HG2 ILE 34 -4.833 -5.227 6.765 244 HD11 ILE 34 1HD1 ILE 34 -4.545 -0.860 7.783 245 HD12 ILE 34 2HD1 ILE 34 -3.339 -1.909 8.567 246 HD13 ILE 34 3HD1 ILE 34 -3.709 -2.116 6.838 247 H ILE 35 H ILE 35 -4.622 -1.057 4.500 248 HA ILE 35 HA ILE 35 -5.526 -2.555 2.139 249 HB ILE 35 HB ILE 35 -4.237 0.174 2.223 250 HG12 ILE 35 1HG1 ILE 35 -6.898 0.348 1.291 251 HG13 ILE 35 2HG1 ILE 35 -6.969 -0.610 2.757 252 HG21 ILE 35 1HG2 ILE 35 -5.752 -0.970 -0.101 253 HG22 ILE 35 2HG2 ILE 35 -4.489 0.283 -0.066 254 HG23 ILE 35 3HG2 ILE 35 -4.052 -1.427 0.166 255 HD11 ILE 35 1HD1 ILE 35 -5.445 1.202 3.825 256 HD12 ILE 35 2HD1 ILE 35 -5.849 2.194 2.405 257 HD13 ILE 35 3HD1 ILE 35 -7.137 1.647 3.504 258 H TYR 36 H TYR 36 -3.926 -3.425 0.730 259 HA TYR 36 HA TYR 36 -1.327 -3.724 2.059 260 HB2 TYR 36 1HB TYR 36 -2.881 -5.294 -0.092 261 HB3 TYR 36 2HB TYR 36 -1.291 -5.764 0.478 262 HD1 TYR 36 1HD TYR 36 -1.367 -5.578 3.338 263 HD2 TYR 36 2HD TYR 36 -4.487 -6.779 0.669 264 HE1 TYR 36 1HE TYR 36 -2.442 -6.939 5.197 265 HE2 TYR 36 2HE TYR 36 -5.552 -8.137 2.537 266 HH TYR 36 HH TYR 36 -3.920 -8.889 5.373 267 H VAL 37 H VAL 37 0.207 -2.366 1.267 268 HA VAL 37 HA VAL 37 -0.039 -1.382 -1.430 269 HB VAL 37 HB VAL 37 2.180 -0.918 0.561 270 HG11 VAL 37 1HG1 VAL 37 2.321 -0.223 -1.938 271 HG12 VAL 37 2HG1 VAL 37 1.147 1.037 -1.488 272 HG13 VAL 37 3HG1 VAL 37 2.736 0.974 -0.688 273 HG21 VAL 37 1HG2 VAL 37 0.833 0.267 1.884 274 HG22 VAL 37 2HG2 VAL 37 0.255 1.227 0.501 275 HG23 VAL 37 3HG2 VAL 37 -0.557 -0.300 0.926 276 H THR 38 H THR 38 0.803 -2.374 -3.184 277 HA THR 38 HA THR 38 2.904 -4.376 -2.695 278 HB THR 38 HB THR 38 0.989 -5.443 -3.654 279 HG1 THR 38 1HG THR 38 3.053 -5.683 -4.869 280 HG21 THR 38 1HG2 THR 38 -0.340 -3.457 -4.315 281 HG22 THR 38 2HG2 THR 38 0.859 -3.051 -5.565 282 HG23 THR 38 3HG2 THR 38 -0.126 -4.525 -5.723 283 H ARG 39 H ARG 39 1.913 -1.627 -4.803 284 HA ARG 39 HA ARG 39 4.289 -1.745 -6.283 285 HB2 ARG 39 1HB ARG 39 2.199 -0.676 -7.126 286 HB3 ARG 39 2HB ARG 39 2.301 0.548 -5.877 287 HG2 ARG 39 1HG ARG 39 3.724 1.792 -7.131 288 HG3 ARG 39 2HG ARG 39 4.837 0.447 -7.283 289 HD2 ARG 39 1HD ARG 39 2.317 0.565 -8.984 290 HD3 ARG 39 2HD ARG 39 3.759 1.439 -9.464 291 HE ARG 39 HE ARG 39 4.301 -1.356 -8.787 292 HH11 ARG 39 2HH2 ARG 39 3.280 0.833 -11.346 293 HH12 ARG 39 1HH2 ARG 39 3.768 -0.230 -12.625 294 HH21 ARG 39 2HH1 ARG 39 4.944 -2.758 -10.472 295 HH22 ARG 39 1HH1 ARG 39 4.721 -2.286 -12.123 296 H VAL 40 H VAL 40 3.112 0.983 -4.174 297 HA VAL 40 HA VAL 40 4.144 2.168 -2.601 298 HB VAL 40 HB VAL 40 6.533 0.342 -2.904 299 HG11 VAL 40 1HG1 VAL 40 6.052 1.277 -0.232 300 HG12 VAL 40 2HG1 VAL 40 7.459 1.562 -1.285 301 HG13 VAL 40 3HG1 VAL 40 6.066 2.671 -1.340 302 HG21 VAL 40 1HG2 VAL 40 4.443 -0.042 -0.779 303 HG22 VAL 40 2HG2 VAL 40 4.183 -0.722 -2.403 304 HG23 VAL 40 3HG2 VAL 40 5.608 -1.206 -1.454 305 H GLU 41 H GLU 41 3.976 3.777 -4.360 306 HA GLU 41 HA GLU 41 6.544 4.254 -5.640 307 HB2 GLU 41 1HB GLU 41 3.706 5.104 -6.307 308 HB3 GLU 41 2HB GLU 41 5.083 5.912 -7.030 309 HG2 GLU 41 1HG GLU 41 5.312 2.965 -7.140 310 HG3 GLU 41 2HG GLU 41 3.883 3.558 -7.963 311 H GLU 42 H GLU 42 7.469 6.427 -5.620 312 HA GLU 42 HA GLU 42 6.657 7.841 -3.219 313 HB2 GLU 42 1HB GLU 42 8.899 8.833 -3.250 314 HB3 GLU 42 2HB GLU 42 9.023 7.089 -3.373 315 HG2 GLU 42 1HG GLU 42 9.452 7.190 -5.757 316 HG3 GLU 42 2HG GLU 42 8.997 8.880 -5.839 317 H GLY 43 H GLY 43 5.951 7.889 -6.447 318 HA2 GLY 43 1HA GLY 43 6.398 10.522 -7.281 319 HA3 GLY 43 2HA GLY 43 5.158 9.433 -7.874 320 H GLY 44 H GLY 44 3.594 8.987 -5.560 321 HA2 GLY 44 1HA GLY 44 2.909 11.027 -3.922 322 HA3 GLY 44 2HA GLY 44 2.161 11.490 -5.437 323 H TRP 45 H TRP 45 1.759 8.661 -6.356 324 HA TRP 45 HA TRP 45 -0.575 8.115 -4.677 325 HB2 TRP 45 1HB TRP 45 0.100 7.283 -7.503 326 HB3 TRP 45 2HB TRP 45 -1.327 6.769 -6.626 327 HD1 TRP 45 HD TRP 45 0.244 10.112 -7.886 328 HE1 TRP 45 1HE TRP 45 -1.643 11.872 -8.443 329 HE3 TRP 45 3HE TRP 45 -3.635 7.241 -6.285 330 HZ2 TRP 45 2HZ TRP 45 -4.482 11.864 -8.158 331 HZ3 TRP 45 3HZ TRP 45 -5.932 8.192 -6.458 332 HH2 TRP 45 HH TRP 45 -6.389 10.419 -7.356 333 H TRP 46 H TRP 46 -1.038 5.784 -4.199 334 HA TRP 46 HA TRP 46 1.383 4.133 -4.225 335 HB2 TRP 46 1HB TRP 46 0.099 5.296 -1.908 336 HB3 TRP 46 2HB TRP 46 0.041 3.546 -1.834 337 HD1 TRP 46 HD TRP 46 3.088 5.238 -3.473 338 HE1 TRP 46 1HE TRP 46 5.276 4.862 -2.046 339 HE3 TRP 46 3HE TRP 46 0.751 3.138 0.526 340 HZ2 TRP 46 2HZ TRP 46 5.773 3.755 0.537 341 HZ3 TRP 46 3HZ TRP 46 2.161 2.439 2.459 342 HH2 TRP 46 HH TRP 46 4.589 2.717 2.507 343 H GLU 47 H GLU 47 0.929 2.148 -5.096 344 HA GLU 47 HA GLU 47 -1.879 1.532 -5.445 345 HB2 GLU 47 1HB GLU 47 -0.886 1.325 -7.534 346 HB3 GLU 47 2HB GLU 47 0.658 0.819 -6.878 347 HG2 GLU 47 1HG GLU 47 -0.268 -1.412 -6.326 348 HG3 GLU 47 2HG GLU 47 -1.858 -0.914 -6.869 349 H GLY 48 H GLY 48 -2.874 0.000 -4.200 350 HA2 GLY 48 1HA GLY 48 -1.231 -2.151 -3.059 351 HA3 GLY 48 2HA GLY 48 -2.160 -1.130 -1.979 352 H THR 49 H THR 49 -3.392 -3.055 -1.339 353 HA THR 49 HA THR 49 -5.627 -3.494 -3.156 354 HB THR 49 HB THR 49 -3.547 -5.519 -2.343 355 HG1 THR 49 1HG THR 49 -5.530 -5.270 -4.489 356 HG21 THR 49 1HG2 THR 49 -6.542 -5.959 -2.334 357 HG22 THR 49 2HG2 THR 49 -5.502 -7.205 -3.065 358 HG23 THR 49 3HG2 THR 49 -5.289 -6.760 -1.355 359 H LEU 50 H LEU 50 -7.557 -3.592 -2.131 360 HA LEU 50 HA LEU 50 -7.400 -3.657 0.802 361 HB2 LEU 50 1HB LEU 50 -8.076 -1.502 0.014 362 HB3 LEU 50 2HB LEU 50 -9.273 -2.199 -1.060 363 HG LEU 50 HG LEU 50 -10.543 -3.013 0.920 364 HD11 LEU 50 1HD1 LEU 50 -8.948 -1.234 2.715 365 HD12 LEU 50 2HD1 LEU 50 -9.938 -2.663 3.096 366 HD13 LEU 50 3HD1 LEU 50 -8.330 -2.865 2.359 367 HD21 LEU 50 1HD2 LEU 50 -11.614 -1.141 0.311 368 HD22 LEU 50 2HD2 LEU 50 -10.873 -0.439 1.770 369 HD23 LEU 50 3HD2 LEU 50 -10.109 -0.197 0.180 370 H ASN 51 H ASN 51 -9.536 -4.486 1.820 371 HA ASN 51 HA ASN 51 -9.823 -7.083 1.282 372 HB2 ASN 51 1HB ASN 51 -11.771 -5.037 2.414 373 HB3 ASN 51 2HB ASN 51 -12.261 -6.713 2.268 374 HD21 ASN 51 1HD2 ASN 51 -10.237 -4.420 3.877 375 HD22 ASN 51 2HD2 ASN 51 -9.621 -5.444 5.131 376 H GLY 52 H GLY 52 -10.025 -7.624 -0.974 377 HA2 GLY 52 1HA GLY 52 -11.162 -8.130 -2.851 378 HA3 GLY 52 2HA GLY 52 -12.642 -7.626 -2.058 379 H ARG 53 H ARG 53 -9.845 -5.432 -2.299 380 HA ARG 53 HA ARG 53 -11.177 -4.081 -4.492 381 HB2 ARG 53 1HB ARG 53 -10.910 -3.117 -1.740 382 HB3 ARG 53 2HB ARG 53 -10.065 -2.041 -2.835 383 HG2 ARG 53 1HG ARG 53 -12.785 -2.948 -3.715 384 HG3 ARG 53 2HG ARG 53 -12.743 -1.869 -2.335 385 HD2 ARG 53 1HD ARG 53 -11.267 -0.296 -3.702 386 HD3 ARG 53 2HD ARG 53 -11.519 -1.341 -5.086 387 HE ARG 53 HE ARG 53 -13.639 -0.404 -5.344 388 HH11 ARG 53 2HH2 ARG 53 -12.603 0.069 -2.014 389 HH12 ARG 53 1HH2 ARG 53 -13.984 1.022 -1.586 390 HH21 ARG 53 2HH1 ARG 53 -15.460 0.854 -4.779 391 HH22 ARG 53 1HH1 ARG 53 -15.621 1.472 -3.169 392 H THR 54 H THR 54 -9.635 -2.285 -5.427 393 HA THR 54 HA THR 54 -6.849 -2.571 -4.854 394 HB THR 54 HB THR 54 -7.569 -4.659 -6.267 395 HG1 THR 54 1HG THR 54 -5.361 -4.130 -6.173 396 HG21 THR 54 1HG2 THR 54 -7.597 -2.418 -8.356 397 HG22 THR 54 2HG2 THR 54 -7.429 -4.147 -8.749 398 HG23 THR 54 3HG2 THR 54 -8.927 -3.546 -7.999 399 H GLY 55 H GLY 55 -5.532 -1.277 -6.564 400 HA2 GLY 55 1HA GLY 55 -5.945 0.443 -8.327 401 HA3 GLY 55 2HA GLY 55 -7.156 1.102 -7.244 402 H TRP 56 H TRP 56 -5.561 3.035 -7.685 403 HA TRP 56 HA TRP 56 -3.259 2.886 -5.889 404 HB2 TRP 56 1HB TRP 56 -4.042 4.875 -8.025 405 HB3 TRP 56 2HB TRP 56 -2.667 5.072 -6.957 406 HD1 TRP 56 HD TRP 56 -3.881 2.253 -9.402 407 HE1 TRP 56 1HE TRP 56 -1.830 1.235 -10.715 408 HE3 TRP 56 3HE TRP 56 -0.336 5.104 -7.129 409 HZ2 TRP 56 2HZ TRP 56 0.980 1.726 -10.657 410 HZ3 TRP 56 3HZ TRP 56 2.037 4.773 -7.816 411 HH2 TRP 56 HH TRP 56 2.717 3.153 -9.516 412 H PHE 57 H PHE 57 -2.953 4.697 -4.329 413 HA PHE 57 HA PHE 57 -5.168 6.406 -3.789 414 HB2 PHE 57 1HB PHE 57 -5.712 5.378 -1.601 415 HB3 PHE 57 2HB PHE 57 -5.860 4.142 -2.833 416 HD1 PHE 57 2HD PHE 57 -4.048 2.437 -3.086 417 HD2 PHE 57 1HD PHE 57 -4.113 5.185 0.148 418 HE1 PHE 57 2HE PHE 57 -2.444 0.982 -1.817 419 HE2 PHE 57 1HE PHE 57 -2.508 3.729 1.416 420 HZ PHE 57 HZ PHE 57 -1.693 1.645 0.419 421 HA PRO 58 HA PRO 58 -2.005 8.553 -1.753 422 HB2 PRO 58 1HB PRO 58 -3.351 10.068 0.080 423 HB3 PRO 58 2HB PRO 58 -3.259 10.480 -1.621 424 HG2 PRO 58 1HG PRO 58 -5.532 9.345 -0.109 425 HG3 PRO 58 2HG PRO 58 -5.541 10.148 -1.667 426 HD2 PRO 58 1HD PRO 58 -5.745 7.327 -1.189 427 HD3 PRO 58 2HD PRO 58 -5.637 8.121 -2.748 428 H SER 59 H SER 59 -0.374 7.907 -0.508 429 HA SER 59 HA SER 59 -1.122 6.162 1.633 430 HB2 SER 59 1HB SER 59 0.760 5.362 0.482 431 HB3 SER 59 2HB SER 59 1.453 6.959 0.280 432 HG SER 59 HG SER 59 2.398 6.855 2.228 433 H ASN 60 H ASN 60 -0.504 9.528 1.156 434 HA ASN 60 HA ASN 60 0.712 10.074 3.618 435 HB2 ASN 60 1HB ASN 60 0.137 11.511 1.305 436 HB3 ASN 60 2HB ASN 60 -1.018 12.198 2.430 437 HD21 ASN 60 1HD2 ASN 60 0.593 13.986 1.690 438 HD22 ASN 60 2HD2 ASN 60 1.887 14.331 2.789 439 H TYR 61 H TYR 61 -2.670 10.013 2.345 440 HA TYR 61 HA TYR 61 -3.911 11.126 4.598 441 HB2 TYR 61 1HB TYR 61 -4.620 9.250 2.281 442 HB3 TYR 61 2HB TYR 61 -5.838 9.616 3.487 443 HD1 TYR 61 1HD TYR 61 -3.264 11.737 1.754 444 HD2 TYR 61 2HD TYR 61 -7.405 11.079 2.603 445 HE1 TYR 61 1HE TYR 61 -3.866 13.868 0.506 446 HE2 TYR 61 2HE TYR 61 -7.993 13.213 1.353 447 HH TYR 61 HH TYR 61 -5.455 15.330 0.109 448 H VAL 62 H VAL 62 -3.782 7.646 3.530 449 HA VAL 62 HA VAL 62 -4.828 6.686 5.943 450 HB VAL 62 HB VAL 62 -4.358 4.551 5.082 451 HG11 VAL 62 1HG1 VAL 62 -4.554 5.817 2.414 452 HG12 VAL 62 2HG1 VAL 62 -5.640 4.660 3.224 453 HG13 VAL 62 3HG1 VAL 62 -5.731 6.393 3.619 454 HG21 VAL 62 1HG2 VAL 62 -1.925 4.957 4.672 455 HG22 VAL 62 2HG2 VAL 62 -2.730 4.037 3.378 456 HG23 VAL 62 3HG2 VAL 62 -2.360 5.763 3.145 457 H ARG 63 H ARG 63 -3.284 4.774 7.038 458 HA ARG 63 HA ARG 63 -0.796 6.122 7.689 459 HB2 ARG 63 1HB ARG 63 -2.859 6.247 9.424 460 HB3 ARG 63 2HB ARG 63 -2.292 4.648 9.865 461 HG2 ARG 63 1HG ARG 63 0.096 6.016 9.799 462 HG3 ARG 63 2HG ARG 63 -0.990 7.304 10.281 463 HD2 ARG 63 1HD ARG 63 -1.859 5.855 12.145 464 HD3 ARG 63 2HD ARG 63 -0.738 4.594 11.674 465 HE ARG 63 HE ARG 63 1.010 5.797 12.671 466 HH11 ARG 63 2HH2 ARG 63 -1.762 7.921 12.236 467 HH12 ARG 63 1HH2 ARG 63 -1.068 9.224 13.142 468 HH21 ARG 63 2HH1 ARG 63 1.926 7.516 13.868 469 HH22 ARG 63 1HH1 ARG 63 1.044 8.991 14.076 470 H GLU 64 H GLU 64 0.967 4.682 8.219 471 HA GLU 64 HA GLU 64 0.497 2.008 7.265 472 HB2 GLU 64 1HB GLU 64 2.421 3.020 6.299 473 HB3 GLU 64 2HB GLU 64 2.970 3.665 7.834 474 HG2 GLU 64 1HG GLU 64 3.363 1.306 8.647 475 HG3 GLU 64 2HG GLU 64 2.896 0.708 7.068 476 H ILE 65 H ILE 65 1.035 0.083 8.474 477 HA ILE 65 HA ILE 65 1.000 0.565 11.365 478 HB ILE 65 HB ILE 65 0.119 -1.835 9.756 479 HG12 ILE 65 1HG1 ILE 65 -1.395 0.430 11.062 480 HG13 ILE 65 2HG1 ILE 65 -1.451 -0.095 9.391 481 HG21 ILE 65 1HG2 ILE 65 -0.295 -2.986 11.669 482 HG22 ILE 65 2HG2 ILE 65 1.085 -2.016 12.238 483 HG23 ILE 65 3HG2 ILE 65 -0.577 -1.516 12.633 484 HD11 ILE 65 1HD1 ILE 65 -3.432 -0.995 10.350 485 HD12 ILE 65 2HD1 ILE 65 -2.307 -2.375 10.316 486 HD13 ILE 65 3HD1 ILE 65 -2.588 -1.492 11.836 487 H LYS 66 H LYS 66 2.319 -1.764 8.903 488 HA LYS 66 HA LYS 66 4.145 -3.008 10.482 489 HB2 LYS 66 1HB LYS 66 4.163 -2.291 7.551 490 HB3 LYS 66 2HB LYS 66 5.480 -3.192 8.272 491 HG2 LYS 66 1HG LYS 66 2.913 -4.298 9.131 492 HG3 LYS 66 2HG LYS 66 2.980 -4.216 7.382 493 HD2 LYS 66 1HD LYS 66 5.277 -5.372 9.013 494 HD3 LYS 66 2HD LYS 66 3.916 -6.357 8.518 495 HE2 LYS 66 1HE LYS 66 4.360 -5.849 6.138 496 HE3 LYS 66 2HE LYS 66 5.644 -4.744 6.583 497 HZ1 LYS 66 1HZ LYS 66 5.599 -7.649 6.816 498 HZ2 LYS 66 2HZ LYS 66 6.736 -6.691 6.141 499 HZ3 LYS 66 3HZ LYS 66 6.600 -6.776 7.767 500 H SER 67 H SER 67 6.118 -2.563 11.399 501 HA SER 67 HA SER 67 6.873 0.214 11.304 502 HB2 SER 67 1HB SER 67 7.303 -2.089 13.145 503 HB3 SER 67 2HB SER 67 8.658 -0.985 13.025 504 HG SER 67 HG SER 67 6.639 0.659 13.251 505 H SER 68 H SER 68 7.866 -2.957 10.112 506 HA SER 68 HA SER 68 10.548 -2.207 9.622 507 HB2 SER 68 1HB SER 68 8.783 -4.549 8.909 508 HB3 SER 68 2HB SER 68 10.291 -4.347 8.040 509 HG SER 68 HG SER 68 10.878 -5.576 9.783 510 H GLU 69 H GLU 69 7.581 -1.341 8.217 511 HA GLU 69 HA GLU 69 8.699 -1.142 5.556 512 HB2 GLU 69 1HB GLU 69 5.889 -0.586 6.604 513 HB3 GLU 69 2HB GLU 69 6.366 -0.443 4.923 514 HG2 GLU 69 1HG GLU 69 6.654 -3.014 6.546 515 HG3 GLU 69 2HG GLU 69 5.271 -2.659 5.530 516 H ARG 70 H ARG 70 8.424 0.669 8.447 517 HA ARG 70 HA ARG 70 8.373 3.171 6.994 518 HB2 ARG 70 1HB ARG 70 6.908 3.361 8.831 519 HB3 ARG 70 2HB ARG 70 7.901 2.353 9.865 520 HG2 ARG 70 1HG ARG 70 9.609 4.171 10.008 521 HG3 ARG 70 2HG ARG 70 8.632 5.178 8.957 522 HD2 ARG 70 1HD ARG 70 6.990 5.551 10.599 523 HD3 ARG 70 2HD ARG 70 7.330 4.050 11.437 524 HE ARG 70 HE ARG 70 9.595 5.886 11.514 525 HH11 ARG 70 2HH2 ARG 70 6.524 5.092 13.036 526 HH12 ARG 70 1HH2 ARG 70 6.943 5.815 14.553 527 HH21 ARG 70 2HH1 ARG 70 10.149 6.839 13.516 528 HH22 ARG 70 1HH1 ARG 70 9.019 6.816 14.828 529 H SER 71 H SER 71 10.336 1.200 9.297 530 HA SER 71 HA SER 71 12.398 3.124 9.434 531 HB2 SER 71 1HB SER 71 11.930 0.337 10.429 532 HB3 SER 71 2HB SER 71 13.604 0.833 10.281 533 HG SER 71 HG SER 71 13.025 2.762 11.577 534 H GLY 72 H GLY 72 11.340 1.229 6.907 535 HA2 GLY 72 1HA GLY 72 12.746 1.539 4.893 536 HA3 GLY 72 2HA GLY 72 14.072 0.873 5.825 537 HA PRO 73 HA PRO 73 11.062 -2.468 4.287 538 HB2 PRO 73 1HB PRO 73 10.742 -2.298 1.578 539 HB3 PRO 73 2HB PRO 73 9.553 -1.709 2.722 540 HG2 PRO 73 1HG PRO 73 11.463 -0.166 1.075 541 HG3 PRO 73 2HG PRO 73 10.011 0.391 1.882 542 HD2 PRO 73 1HD PRO 73 12.717 0.800 2.741 543 HD3 PRO 73 2HD PRO 73 11.262 1.255 3.606 544 H SER 74 H SER 74 13.559 -2.685 5.006 545 HA SER 74 HA SER 74 14.582 -4.375 2.871 546 HB2 SER 74 1HB SER 74 16.902 -3.631 3.452 547 HB3 SER 74 2HB SER 74 15.918 -2.343 2.786 548 HG SER 74 HG SER 74 17.191 -2.424 5.184 549 H SER 75 H SER 75 15.169 -6.419 3.584 550 HA SER 75 HA SER 75 14.918 -6.844 6.430 551 HB2 SER 75 1HB SER 75 13.591 -8.311 5.008 552 HB3 SER 75 2HB SER 75 14.995 -8.746 4.052 553 HG SER 75 HG SER 75 15.014 -9.238 6.879 554 H GLY 76 H GLY 76 17.111 -7.814 3.686 555 HA2 GLY 76 1HA GLY 76 19.478 -7.172 5.077 556 HA3 GLY 76 2HA GLY 76 19.156 -8.886 5.253 Start of MODEL 6 1 H1 GLY 1 H GLY 1 7.304 -23.207 -8.722 2 HA2 GLY 1 1HA GLY 1 5.285 -21.200 -8.896 3 HA3 GLY 1 2HA GLY 1 5.677 -22.207 -7.516 4 H SER 2 H SER 2 7.097 -19.461 -9.434 5 HA SER 2 HA SER 2 8.900 -18.578 -7.670 6 HB2 SER 2 1HB SER 2 7.314 -17.408 -9.845 7 HB3 SER 2 2HB SER 2 7.710 -16.208 -8.631 8 HG SER 2 HG SER 2 9.900 -16.525 -8.958 9 H SER 3 H SER 3 8.732 -18.184 -5.495 10 HA SER 3 HA SER 3 7.004 -16.245 -4.531 11 HB2 SER 3 1HB SER 3 5.480 -17.583 -3.140 12 HB3 SER 3 2HB SER 3 5.259 -17.978 -4.833 13 HG SER 3 HG SER 3 5.417 -19.978 -3.965 14 H GLY 4 H GLY 4 7.480 -15.760 -2.269 15 HA2 GLY 4 1HA GLY 4 10.065 -16.743 -1.447 16 HA3 GLY 4 2HA GLY 4 9.098 -15.494 -0.688 17 H SER 5 H SER 5 7.273 -16.126 0.724 18 HA SER 5 HA SER 5 7.282 -18.910 1.484 19 HB2 SER 5 1HB SER 5 8.908 -18.050 3.032 20 HB3 SER 5 2HB SER 5 7.969 -16.602 3.339 21 HG SER 5 HG SER 5 7.421 -19.301 4.197 22 H SER 6 H SER 6 6.054 -15.732 2.781 23 HA SER 6 HA SER 6 3.374 -16.815 2.390 24 HB2 SER 6 1HB SER 6 3.118 -14.936 4.434 25 HB3 SER 6 2HB SER 6 3.138 -16.677 4.637 26 HG SER 6 HG SER 6 5.284 -14.796 4.976 27 H GLY 7 H GLY 7 4.978 -15.222 0.513 28 HA2 GLY 7 1HA GLY 7 3.721 -13.641 -0.891 29 HA3 GLY 7 2HA GLY 7 3.440 -12.692 0.556 30 H SER 8 H SER 8 4.956 -12.171 -2.085 31 HA SER 8 HA SER 8 7.667 -12.073 -1.479 32 HB2 SER 8 1HB SER 8 5.891 -11.232 -3.627 33 HB3 SER 8 2HB SER 8 7.074 -9.978 -3.317 34 HG SER 8 HG SER 8 8.300 -11.217 -4.588 35 H HIS 9 H HIS 9 5.310 -9.307 -1.779 36 HA HIS 9 HA HIS 9 6.480 -8.137 0.594 37 HB2 HIS 9 1HB HIS 9 6.711 -5.923 -0.624 38 HB3 HIS 9 2HB HIS 9 7.932 -7.138 -0.947 39 HD1 HIS 9 1HD HIS 9 8.383 -7.636 -3.364 40 HD2 HIS 9 2HD HIS 9 4.633 -5.848 -2.781 41 HE1 HIS 9 1HE HIS 9 7.425 -7.209 -5.690 42 H GLN 10 H GLN 10 5.132 -6.327 1.442 43 HA GLN 10 HA GLN 10 2.750 -5.606 0.268 44 HB2 GLN 10 1HB GLN 10 2.503 -8.213 1.070 45 HB3 GLN 10 2HB GLN 10 1.987 -7.397 2.532 46 HG2 GLN 10 1HG GLN 10 -0.054 -7.189 1.553 47 HG3 GLN 10 2HG GLN 10 0.664 -5.954 0.537 48 HE21 GLN 10 1HE2 GLN 10 0.133 -9.440 0.833 49 HE22 GLN 10 2HE2 GLN 10 0.040 -9.804 -0.858 50 H LEU 11 H LEU 11 2.082 -3.748 1.304 51 HA LEU 11 HA LEU 11 3.216 -3.317 3.979 52 HB2 LEU 11 1HB LEU 11 3.586 -1.864 1.679 53 HB3 LEU 11 2HB LEU 11 2.292 -0.980 2.465 54 HG LEU 11 HG LEU 11 4.950 -1.663 3.750 55 HD11 LEU 11 1HD1 LEU 11 5.297 0.857 3.541 56 HD12 LEU 11 2HD1 LEU 11 5.462 -0.115 2.060 57 HD13 LEU 11 3HD1 LEU 11 3.979 0.825 2.346 58 HD21 LEU 11 1HD2 LEU 11 2.839 -1.351 5.207 59 HD22 LEU 11 2HD2 LEU 11 4.310 -0.438 5.621 60 HD23 LEU 11 3HD2 LEU 11 2.973 0.367 4.765 61 H ILE 12 H ILE 12 1.797 -3.393 5.629 62 HA ILE 12 HA ILE 12 -1.028 -3.226 4.983 63 HB ILE 12 HB ILE 12 0.546 -4.130 7.383 64 HG12 ILE 12 1HG1 ILE 12 -1.381 -6.015 6.510 65 HG13 ILE 12 2HG1 ILE 12 -0.598 -5.405 5.064 66 HG21 ILE 12 1HG2 ILE 12 -1.362 -2.891 8.244 67 HG22 ILE 12 2HG2 ILE 12 -2.462 -3.804 7.183 68 HG23 ILE 12 3HG2 ILE 12 -1.589 -4.639 8.490 69 HD11 ILE 12 1HD1 ILE 12 0.588 -7.379 6.078 70 HD12 ILE 12 2HD1 ILE 12 1.620 -5.934 5.963 71 HD13 ILE 12 3HD1 ILE 12 0.908 -6.398 7.527 72 H VAL 13 H VAL 13 -1.760 -1.161 4.764 73 HA VAL 13 HA VAL 13 -1.075 0.666 6.960 74 HB VAL 13 HB VAL 13 -1.096 2.497 5.370 75 HG11 VAL 13 1HG1 VAL 13 1.058 2.206 4.613 76 HG12 VAL 13 2HG1 VAL 13 0.966 0.898 5.816 77 HG13 VAL 13 3HG1 VAL 13 0.769 0.531 4.085 78 HG21 VAL 13 1HG2 VAL 13 -2.674 1.643 3.729 79 HG22 VAL 13 2HG2 VAL 13 -1.141 2.063 2.927 80 HG23 VAL 13 3HG2 VAL 13 -1.535 0.359 3.258 81 H LYS 14 H LYS 14 -2.795 1.706 7.926 82 HA LYS 14 HA LYS 14 -5.416 0.837 7.004 83 HB2 LYS 14 1HB LYS 14 -4.612 0.537 9.396 84 HB3 LYS 14 2HB LYS 14 -4.711 2.277 9.573 85 HG2 LYS 14 1HG LYS 14 -6.844 1.666 10.297 86 HG3 LYS 14 2HG LYS 14 -7.165 1.961 8.600 87 HD2 LYS 14 1HD LYS 14 -8.142 -0.136 8.806 88 HD3 LYS 14 2HD LYS 14 -6.521 -0.622 8.347 89 HE2 LYS 14 1HE LYS 14 -5.907 -1.087 10.650 90 HE3 LYS 14 2HE LYS 14 -7.351 -0.305 11.264 91 HZ1 LYS 14 1HZ LYS 14 -7.040 -2.945 10.458 92 HZ2 LYS 14 2HZ LYS 14 -8.364 -2.234 11.100 93 HZ3 LYS 14 3HZ LYS 14 -8.153 -2.257 9.480 94 H ALA 15 H ALA 15 -6.996 2.219 6.239 95 HA ALA 15 HA ALA 15 -6.184 4.575 5.025 96 HB1 ALA 15 1HB ALA 15 -8.797 4.933 5.038 97 HB2 ALA 15 2HB ALA 15 -8.088 3.583 4.120 98 HB3 ALA 15 3HB ALA 15 -8.822 3.287 5.714 99 H ARG 16 H ARG 16 -7.090 6.815 5.475 100 HA ARG 16 HA ARG 16 -6.812 7.274 8.322 101 HB2 ARG 16 1HB ARG 16 -5.219 8.523 6.955 102 HB3 ARG 16 2HB ARG 16 -6.488 9.097 5.892 103 HG2 ARG 16 1HG ARG 16 -7.527 10.256 7.942 104 HG3 ARG 16 2HG ARG 16 -6.062 9.853 8.816 105 HD2 ARG 16 1HD ARG 16 -4.870 10.989 6.700 106 HD3 ARG 16 2HD ARG 16 -6.426 11.769 6.506 107 HE ARG 16 HE ARG 16 -5.815 12.082 9.220 108 HH11 ARG 16 2HH2 ARG 16 -4.281 12.954 6.175 109 HH12 ARG 16 1HH2 ARG 16 -3.495 14.354 6.826 110 HH21 ARG 16 2HH1 ARG 16 -4.779 13.928 10.078 111 HH22 ARG 16 1HH1 ARG 16 -3.780 14.911 9.061 112 H PHE 17 H PHE 17 -8.802 8.163 5.426 113 HA PHE 17 HA PHE 17 -11.087 8.474 7.182 114 HB2 PHE 17 1HB PHE 17 -11.527 10.734 6.383 115 HB3 PHE 17 2HB PHE 17 -9.833 10.726 6.830 116 HD1 PHE 17 1HD PHE 17 -8.092 10.807 5.121 117 HD2 PHE 17 2HD PHE 17 -12.200 10.883 4.056 118 HE1 PHE 17 1HE PHE 17 -7.480 11.592 2.817 119 HE2 PHE 17 2HE PHE 17 -11.588 11.668 1.752 120 HZ PHE 17 HZ PHE 17 -9.236 12.013 1.160 121 H ASN 18 H ASN 18 -12.958 9.427 5.391 122 HA ASN 18 HA ASN 18 -13.302 7.154 3.775 123 HB2 ASN 18 1HB ASN 18 -15.011 8.961 4.894 124 HB3 ASN 18 2HB ASN 18 -14.920 9.652 3.286 125 HD21 ASN 18 1HD2 ASN 18 -17.105 8.308 4.730 126 HD22 ASN 18 2HD2 ASN 18 -17.647 7.005 3.725 127 H PHE 19 H PHE 19 -12.001 6.947 1.928 128 HA PHE 19 HA PHE 19 -11.377 9.365 0.428 129 HB2 PHE 19 1HB PHE 19 -9.551 7.787 1.061 130 HB3 PHE 19 2HB PHE 19 -10.446 6.434 0.401 131 HD1 PHE 19 2HD PHE 19 -9.479 9.804 -0.910 132 HD2 PHE 19 1HD PHE 19 -9.451 5.600 -1.494 133 HE1 PHE 19 2HE PHE 19 -8.326 10.118 -3.117 134 HE2 PHE 19 1HE PHE 19 -8.298 5.915 -3.700 135 HZ PHE 19 HZ PHE 19 -7.748 8.170 -4.486 136 H LYS 20 H LYS 20 -12.042 9.722 -1.693 137 HA LYS 20 HA LYS 20 -13.907 7.710 -2.744 138 HB2 LYS 20 1HB LYS 20 -15.110 9.691 -2.115 139 HB3 LYS 20 2HB LYS 20 -13.958 10.731 -2.927 140 HG2 LYS 20 1HG LYS 20 -15.192 8.610 -4.638 141 HG3 LYS 20 2HG LYS 20 -16.295 9.846 -4.067 142 HD2 LYS 20 1HD LYS 20 -14.359 11.509 -4.857 143 HD3 LYS 20 2HD LYS 20 -13.866 10.148 -5.844 144 HE2 LYS 20 1HE LYS 20 -16.757 10.507 -6.033 145 HE3 LYS 20 2HE LYS 20 -15.949 12.020 -6.390 146 HZ1 LYS 20 1HZ LYS 20 -15.571 11.155 -8.367 147 HZ2 LYS 20 2HZ LYS 20 -14.488 10.137 -7.688 148 HZ3 LYS 20 3HZ LYS 20 -16.031 9.653 -7.920 149 H GLN 21 H GLN 21 -13.148 6.619 -4.468 150 HA GLN 21 HA GLN 21 -10.765 7.408 -5.699 151 HB2 GLN 21 1HB GLN 21 -11.082 5.456 -7.115 152 HB3 GLN 21 2HB GLN 21 -11.573 5.043 -5.484 153 HG2 GLN 21 1HG GLN 21 -13.983 5.686 -6.215 154 HG3 GLN 21 2HG GLN 21 -13.372 5.686 -7.856 155 HE21 GLN 21 1HE2 GLN 21 -11.633 3.653 -7.957 156 HE22 GLN 21 2HE2 GLN 21 -12.395 2.127 -7.654 157 H THR 22 H THR 22 -10.357 8.328 -7.761 158 HA THR 22 HA THR 22 -12.458 10.036 -8.719 159 HB THR 22 HB THR 22 -10.616 10.866 -10.187 160 HG1 THR 22 1HG THR 22 -8.660 9.607 -10.162 161 HG21 THR 22 1HG2 THR 22 -9.870 11.980 -8.334 162 HG22 THR 22 2HG2 THR 22 -10.402 10.654 -7.274 163 HG23 THR 22 3HG2 THR 22 -8.788 10.602 -8.022 164 H ASN 23 H ASN 23 -11.580 6.782 -9.271 165 HA ASN 23 HA ASN 23 -13.492 6.613 -11.322 166 HB2 ASN 23 1HB ASN 23 -10.557 6.588 -12.033 167 HB3 ASN 23 2HB ASN 23 -11.579 5.416 -12.841 168 HD21 ASN 23 1HD2 ASN 23 -13.408 6.139 -14.039 169 HD22 ASN 23 2HD2 ASN 23 -13.447 7.715 -14.757 170 H GLU 24 H GLU 24 -13.464 4.166 -12.180 171 HA GLU 24 HA GLU 24 -13.297 2.549 -9.878 172 HB2 GLU 24 1HB GLU 24 -13.994 0.720 -11.514 173 HB3 GLU 24 2HB GLU 24 -15.074 2.096 -11.418 174 HG2 GLU 24 1HG GLU 24 -13.075 2.698 -13.408 175 HG3 GLU 24 2HG GLU 24 -13.669 1.081 -13.727 176 H ASP 25 H ASP 25 -10.924 3.672 -11.964 177 HA ASP 25 HA ASP 25 -9.474 1.240 -12.226 178 HB2 ASP 25 1HB ASP 25 -8.969 4.160 -12.853 179 HB3 ASP 25 2HB ASP 25 -7.616 3.046 -12.860 180 H GLU 26 H GLU 26 -9.517 4.193 -10.168 181 HA GLU 26 HA GLU 26 -7.106 3.494 -8.839 182 HB2 GLU 26 1HB GLU 26 -8.544 5.833 -9.171 183 HB3 GLU 26 2HB GLU 26 -8.938 5.423 -7.514 184 HG2 GLU 26 1HG GLU 26 -6.951 6.384 -6.956 185 HG3 GLU 26 2HG GLU 26 -6.199 4.934 -7.589 186 H LEU 27 H LEU 27 -7.446 3.771 -6.163 187 HA LEU 27 HA LEU 27 -9.160 1.489 -5.541 188 HB2 LEU 27 1HB LEU 27 -6.587 1.780 -5.019 189 HB3 LEU 27 2HB LEU 27 -7.190 2.660 -3.628 190 HG LEU 27 HG LEU 27 -8.462 0.026 -4.074 191 HD11 LEU 27 1HD1 LEU 27 -6.670 -1.353 -3.523 192 HD12 LEU 27 2HD1 LEU 27 -5.974 -0.227 -4.713 193 HD13 LEU 27 3HD1 LEU 27 -5.657 0.006 -2.977 194 HD21 LEU 27 1HD2 LEU 27 -8.875 1.519 -2.116 195 HD22 LEU 27 2HD2 LEU 27 -8.337 -0.121 -1.685 196 HD23 LEU 27 3HD2 LEU 27 -7.193 1.239 -1.606 197 H SER 28 H SER 28 -10.327 1.574 -3.384 198 HA SER 28 HA SER 28 -11.066 4.297 -2.712 199 HB2 SER 28 1HB SER 28 -12.810 3.628 -4.250 200 HB3 SER 28 2HB SER 28 -12.976 2.058 -3.489 201 HG SER 28 HG SER 28 -14.512 2.980 -2.320 202 H VAL 29 H VAL 29 -11.566 4.582 -0.489 203 HA VAL 29 HA VAL 29 -11.825 2.202 1.149 204 HB VAL 29 HB VAL 29 -9.389 2.662 0.910 205 HG11 VAL 29 1HG1 VAL 29 -9.123 4.963 0.699 206 HG12 VAL 29 2HG1 VAL 29 -10.233 5.322 2.043 207 HG13 VAL 29 3HG1 VAL 29 -8.610 4.672 2.379 208 HG21 VAL 29 1HG2 VAL 29 -8.937 2.077 3.090 209 HG22 VAL 29 2HG2 VAL 29 -10.085 3.259 3.764 210 HG23 VAL 29 3HG2 VAL 29 -10.685 1.752 3.032 211 H CYS 30 H CYS 30 -12.620 2.727 3.337 212 HA CYS 30 HA CYS 30 -13.962 5.331 3.312 213 HB2 CYS 30 1HB CYS 30 -15.622 3.624 3.156 214 HB3 CYS 30 2HB CYS 30 -14.864 2.657 4.406 215 HG CYS 30 HG CYS 30 -16.991 4.979 4.533 216 H LYS 31 H LYS 31 -13.620 2.924 5.968 217 HA LYS 31 HA LYS 31 -11.530 4.455 7.224 218 HB2 LYS 31 1HB LYS 31 -13.940 5.477 7.704 219 HB3 LYS 31 2HB LYS 31 -14.006 4.180 8.880 220 HG2 LYS 31 1HG LYS 31 -12.455 5.166 10.244 221 HG3 LYS 31 2HG LYS 31 -11.415 5.608 8.906 222 HD2 LYS 31 1HD LYS 31 -12.300 7.714 8.747 223 HD3 LYS 31 2HD LYS 31 -13.946 7.142 8.937 224 HE2 LYS 31 1HE LYS 31 -11.968 7.361 11.255 225 HE3 LYS 31 2HE LYS 31 -13.097 8.631 10.830 226 HZ1 LYS 31 1HZ LYS 31 -13.638 6.021 11.958 227 HZ2 LYS 31 2HZ LYS 31 -14.307 7.466 12.317 228 HZ3 LYS 31 3HZ LYS 31 -14.771 6.662 10.973 229 H GLY 32 H GLY 32 -10.406 3.234 8.788 230 HA2 GLY 32 1HA GLY 32 -9.609 1.325 9.668 231 HA3 GLY 32 2HA GLY 32 -11.274 0.969 10.084 232 H ASP 33 H ASP 33 -9.150 0.996 7.125 233 HA ASP 33 HA ASP 33 -10.098 -1.692 6.613 234 HB2 ASP 33 1HB ASP 33 -10.842 0.643 5.097 235 HB3 ASP 33 2HB ASP 33 -9.757 -0.300 4.096 236 H ILE 34 H ILE 34 -7.952 -2.437 7.202 237 HA ILE 34 HA ILE 34 -5.580 -1.263 6.457 238 HB ILE 34 HB ILE 34 -6.496 -3.846 7.474 239 HG12 ILE 34 1HG1 ILE 34 -5.637 -2.245 8.999 240 HG13 ILE 34 2HG1 ILE 34 -4.450 -3.530 8.895 241 HG21 ILE 34 1HG2 ILE 34 -4.238 -4.922 7.024 242 HG22 ILE 34 2HG2 ILE 34 -5.379 -4.857 5.659 243 HG23 ILE 34 3HG2 ILE 34 -4.024 -3.706 5.742 244 HD11 ILE 34 1HD1 ILE 34 -4.290 -0.706 7.887 245 HD12 ILE 34 2HD1 ILE 34 -3.034 -1.713 8.646 246 HD13 ILE 34 3HD1 ILE 34 -3.460 -1.961 6.936 247 H ILE 35 H ILE 35 -4.479 -1.020 4.578 248 HA ILE 35 HA ILE 35 -5.482 -2.574 2.296 249 HB ILE 35 HB ILE 35 -4.173 0.147 2.289 250 HG12 ILE 35 1HG1 ILE 35 -6.850 0.297 1.392 251 HG13 ILE 35 2HG1 ILE 35 -6.894 -0.625 2.882 252 HG21 ILE 35 1HG2 ILE 35 -5.618 -1.290 0.051 253 HG22 ILE 35 2HG2 ILE 35 -4.727 0.248 -0.033 254 HG23 ILE 35 3HG2 ILE 35 -3.849 -1.274 0.252 255 HD11 ILE 35 1HD1 ILE 35 -5.186 1.861 2.802 256 HD12 ILE 35 2HD1 ILE 35 -6.952 2.039 2.928 257 HD13 ILE 35 3HD1 ILE 35 -6.058 1.133 4.172 258 H TYR 36 H TYR 36 -3.920 -3.394 0.771 259 HA TYR 36 HA TYR 36 -1.294 -3.769 2.034 260 HB2 TYR 36 1HB TYR 36 -2.890 -5.289 -0.125 261 HB3 TYR 36 2HB TYR 36 -1.328 -5.806 0.479 262 HD1 TYR 36 1HD TYR 36 -1.428 -5.675 3.321 263 HD2 TYR 36 2HD TYR 36 -4.588 -6.674 0.616 264 HE1 TYR 36 1HE TYR 36 -2.584 -7.006 5.152 265 HE2 TYR 36 2HE TYR 36 -5.734 -8.002 2.457 266 HH TYR 36 HH TYR 36 -5.430 -8.941 4.449 267 H VAL 37 H VAL 37 0.236 -2.424 1.215 268 HA VAL 37 HA VAL 37 -0.069 -1.423 -1.475 269 HB VAL 37 HB VAL 37 2.181 -0.953 0.481 270 HG11 VAL 37 1HG1 VAL 37 2.794 0.841 -0.819 271 HG12 VAL 37 2HG1 VAL 37 2.159 -0.249 -2.075 272 HG13 VAL 37 3HG1 VAL 37 1.151 1.083 -1.461 273 HG21 VAL 37 1HG2 VAL 37 0.856 0.239 1.821 274 HG22 VAL 37 2HG2 VAL 37 0.242 1.184 0.442 275 HG23 VAL 37 3HG2 VAL 37 -0.548 -0.345 0.896 276 H THR 38 H THR 38 0.738 -2.426 -3.239 277 HA THR 38 HA THR 38 2.863 -4.412 -2.782 278 HB THR 38 HB THR 38 0.894 -5.467 -3.680 279 HG1 THR 38 1HG THR 38 2.974 -5.779 -4.867 280 HG21 THR 38 1HG2 THR 38 -0.377 -3.465 -4.427 281 HG22 THR 38 2HG2 THR 38 0.832 -3.160 -5.697 282 HG23 THR 38 3HG2 THR 38 -0.199 -4.609 -5.778 283 H ARG 39 H ARG 39 1.800 -1.696 -4.903 284 HA ARG 39 HA ARG 39 4.122 -1.803 -6.448 285 HB2 ARG 39 1HB ARG 39 1.992 -0.711 -7.181 286 HB3 ARG 39 2HB ARG 39 2.192 0.520 -5.949 287 HG2 ARG 39 1HG ARG 39 3.519 1.729 -7.331 288 HG3 ARG 39 2HG ARG 39 4.650 0.395 -7.449 289 HD2 ARG 39 1HD ARG 39 2.097 0.351 -9.090 290 HD3 ARG 39 2HD ARG 39 3.467 1.296 -9.637 291 HE ARG 39 HE ARG 39 4.133 -1.472 -8.892 292 HH11 ARG 39 2HH2 ARG 39 3.158 0.695 -11.487 293 HH12 ARG 39 1HH2 ARG 39 3.733 -0.346 -12.745 294 HH21 ARG 39 2HH1 ARG 39 4.892 -2.847 -10.551 295 HH22 ARG 39 1HH1 ARG 39 4.726 -2.375 -12.210 296 H VAL 40 H VAL 40 3.049 0.910 -4.267 297 HA VAL 40 HA VAL 40 4.150 2.096 -2.747 298 HB VAL 40 HB VAL 40 6.476 0.199 -3.103 299 HG11 VAL 40 1HG1 VAL 40 6.098 1.221 -0.434 300 HG12 VAL 40 2HG1 VAL 40 7.503 1.381 -1.515 301 HG13 VAL 40 3HG1 VAL 40 6.182 2.572 -1.591 302 HG21 VAL 40 1HG2 VAL 40 4.543 -0.109 -0.846 303 HG22 VAL 40 2HG2 VAL 40 4.048 -0.700 -2.450 304 HG23 VAL 40 3HG2 VAL 40 5.528 -1.329 -1.689 305 H GLU 41 H GLU 41 3.955 3.651 -4.583 306 HA GLU 41 HA GLU 41 6.495 4.071 -5.922 307 HB2 GLU 41 1HB GLU 41 3.660 5.005 -6.471 308 HB3 GLU 41 2HB GLU 41 5.026 5.789 -7.241 309 HG2 GLU 41 1HG GLU 41 5.170 2.835 -7.379 310 HG3 GLU 41 2HG GLU 41 3.738 3.481 -8.155 311 H GLU 42 H GLU 42 7.512 6.196 -5.925 312 HA GLU 42 HA GLU 42 6.845 7.640 -3.499 313 HB2 GLU 42 1HB GLU 42 9.115 8.533 -3.600 314 HB3 GLU 42 2HB GLU 42 9.175 6.791 -3.769 315 HG2 GLU 42 1HG GLU 42 8.982 7.444 -6.398 316 HG3 GLU 42 2HG GLU 42 9.724 8.921 -5.818 317 H GLY 43 H GLY 43 5.988 7.719 -6.682 318 HA2 GLY 43 1HA GLY 43 6.503 10.349 -7.521 319 HA3 GLY 43 2HA GLY 43 5.224 9.296 -8.091 320 H GLY 44 H GLY 44 3.735 8.867 -5.705 321 HA2 GLY 44 1HA GLY 44 3.132 10.898 -4.042 322 HA3 GLY 44 2HA GLY 44 2.362 11.407 -5.533 323 H TRP 45 H TRP 45 1.860 8.603 -6.480 324 HA TRP 45 HA TRP 45 -0.447 8.096 -4.751 325 HB2 TRP 45 1HB TRP 45 0.138 7.353 -7.619 326 HB3 TRP 45 2HB TRP 45 -1.249 6.769 -6.722 327 HD1 TRP 45 HD TRP 45 0.222 10.230 -7.791 328 HE1 TRP 45 1HE TRP 45 -1.720 11.961 -8.235 329 HE3 TRP 45 3HE TRP 45 -3.564 7.135 -6.401 330 HZ2 TRP 45 2HZ TRP 45 -4.558 11.844 -7.961 331 HZ3 TRP 45 3HZ TRP 45 -5.892 8.021 -6.518 332 HH2 TRP 45 HH TRP 45 -6.416 10.289 -7.265 333 H TRP 46 H TRP 46 -0.955 5.789 -4.263 334 HA TRP 46 HA TRP 46 1.419 4.069 -4.385 335 HB2 TRP 46 1HB TRP 46 0.173 5.201 -2.022 336 HB3 TRP 46 2HB TRP 46 0.127 3.450 -1.988 337 HD1 TRP 46 HD TRP 46 3.141 5.140 -3.665 338 HE1 TRP 46 1HE TRP 46 5.353 4.770 -2.274 339 HE3 TRP 46 3HE TRP 46 0.869 3.076 0.388 340 HZ2 TRP 46 2HZ TRP 46 5.891 3.679 0.309 341 HZ3 TRP 46 3HZ TRP 46 2.310 2.387 2.302 342 HH2 TRP 46 HH TRP 46 4.739 2.659 2.306 343 H GLU 47 H GLU 47 0.923 2.015 -5.107 344 HA GLU 47 HA GLU 47 -1.913 1.502 -5.482 345 HB2 GLU 47 1HB GLU 47 -1.002 1.274 -7.596 346 HB3 GLU 47 2HB GLU 47 0.572 0.796 -6.992 347 HG2 GLU 47 1HG GLU 47 -0.267 -1.454 -6.435 348 HG3 GLU 47 2HG GLU 47 -1.901 -0.990 -6.865 349 H GLY 48 H GLY 48 -2.905 0.005 -4.198 350 HA2 GLY 48 1HA GLY 48 -1.281 -2.199 -3.125 351 HA3 GLY 48 2HA GLY 48 -2.174 -1.173 -2.020 352 H THR 49 H THR 49 -3.393 -3.127 -1.392 353 HA THR 49 HA THR 49 -5.653 -3.532 -3.204 354 HB THR 49 HB THR 49 -3.618 -5.561 -2.296 355 HG1 THR 49 1HG THR 49 -5.576 -5.296 -4.467 356 HG21 THR 49 1HG2 THR 49 -5.396 -6.724 -1.269 357 HG22 THR 49 2HG2 THR 49 -6.623 -5.957 -2.306 358 HG23 THR 49 3HG2 THR 49 -5.585 -7.249 -2.959 359 H LEU 50 H LEU 50 -7.591 -3.513 -2.204 360 HA LEU 50 HA LEU 50 -7.481 -3.500 0.731 361 HB2 LEU 50 1HB LEU 50 -8.087 -1.354 -0.142 362 HB3 LEU 50 2HB LEU 50 -9.292 -2.057 -1.202 363 HG LEU 50 HG LEU 50 -10.603 -2.766 0.789 364 HD11 LEU 50 1HD1 LEU 50 -10.050 -2.217 2.981 365 HD12 LEU 50 2HD1 LEU 50 -8.499 -2.749 2.286 366 HD13 LEU 50 3HD1 LEU 50 -8.838 -1.012 2.483 367 HD21 LEU 50 1HD2 LEU 50 -11.260 -0.407 1.484 368 HD22 LEU 50 2HD2 LEU 50 -9.969 0.161 0.399 369 HD23 LEU 50 3HD2 LEU 50 -11.329 -0.783 -0.255 370 H ASN 51 H ASN 51 -9.653 -4.239 1.741 371 HA ASN 51 HA ASN 51 -10.001 -6.842 1.298 372 HB2 ASN 51 1HB ASN 51 -11.933 -4.705 2.286 373 HB3 ASN 51 2HB ASN 51 -12.450 -6.378 2.206 374 HD21 ASN 51 1HD2 ASN 51 -10.760 -4.018 3.940 375 HD22 ASN 51 2HD2 ASN 51 -10.078 -5.002 5.193 376 H GLY 52 H GLY 52 -10.156 -7.470 -0.938 377 HA2 GLY 52 1HA GLY 52 -11.240 -8.010 -2.836 378 HA3 GLY 52 2HA GLY 52 -12.736 -7.481 -2.091 379 H ARG 53 H ARG 53 -9.900 -5.330 -2.374 380 HA ARG 53 HA ARG 53 -11.216 -4.014 -4.597 381 HB2 ARG 53 1HB ARG 53 -10.915 -2.981 -1.877 382 HB3 ARG 53 2HB ARG 53 -10.048 -1.954 -3.002 383 HG2 ARG 53 1HG ARG 53 -12.833 -2.840 -3.754 384 HG3 ARG 53 2HG ARG 53 -12.670 -1.611 -2.516 385 HD2 ARG 53 1HD ARG 53 -11.271 -0.230 -4.075 386 HD3 ARG 53 2HD ARG 53 -11.447 -1.455 -5.315 387 HE ARG 53 HE ARG 53 -13.513 0.442 -4.412 388 HH11 ARG 53 2HH2 ARG 53 -12.837 -2.520 -6.186 389 HH12 ARG 53 1HH2 ARG 53 -14.302 -2.454 -7.108 390 HH21 ARG 53 2HH1 ARG 53 -15.446 0.531 -5.628 391 HH22 ARG 53 1HH1 ARG 53 -15.796 -0.706 -6.790 392 H THR 54 H THR 54 -9.639 -2.263 -5.577 393 HA THR 54 HA THR 54 -6.856 -2.616 -5.021 394 HB THR 54 HB THR 54 -7.634 -4.698 -6.400 395 HG1 THR 54 1HG THR 54 -5.628 -4.312 -7.726 396 HG21 THR 54 1HG2 THR 54 -8.822 -2.884 -8.075 397 HG22 THR 54 2HG2 THR 54 -7.202 -2.962 -8.810 398 HG23 THR 54 3HG2 THR 54 -8.176 -4.442 -8.645 399 H GLY 55 H GLY 55 -5.519 -1.373 -6.750 400 HA2 GLY 55 1HA GLY 55 -5.894 0.339 -8.528 401 HA3 GLY 55 2HA GLY 55 -7.084 1.039 -7.449 402 H TRP 56 H TRP 56 -5.776 3.037 -7.515 403 HA TRP 56 HA TRP 56 -3.352 2.817 -5.865 404 HB2 TRP 56 1HB TRP 56 -4.101 4.861 -7.963 405 HB3 TRP 56 2HB TRP 56 -2.706 4.980 -6.909 406 HD1 TRP 56 HD TRP 56 -4.039 2.209 -9.349 407 HE1 TRP 56 1HE TRP 56 -2.047 1.184 -10.744 408 HE3 TRP 56 3HE TRP 56 -0.393 5.030 -7.203 409 HZ2 TRP 56 2HZ TRP 56 0.767 1.658 -10.792 410 HZ3 TRP 56 3HZ TRP 56 1.951 4.687 -7.981 411 HH2 TRP 56 HH TRP 56 2.555 3.070 -9.711 412 H PHE 57 H PHE 57 -3.079 4.499 -4.212 413 HA PHE 57 HA PHE 57 -5.289 6.248 -3.696 414 HB2 PHE 57 1HB PHE 57 -5.819 5.194 -1.510 415 HB3 PHE 57 2HB PHE 57 -5.989 3.984 -2.765 416 HD1 PHE 57 1HD PHE 57 -3.697 2.655 -3.252 417 HD2 PHE 57 2HD PHE 57 -4.704 4.565 0.402 418 HE1 PHE 57 1HE PHE 57 -2.094 1.160 -2.028 419 HE2 PHE 57 2HE PHE 57 -3.102 3.070 1.625 420 HZ PHE 57 HZ PHE 57 -1.816 1.386 0.395 421 HA PRO 58 HA PRO 58 -2.148 8.385 -1.620 422 HB2 PRO 58 1HB PRO 58 -3.505 9.855 0.243 423 HB3 PRO 58 2HB PRO 58 -3.418 10.299 -1.450 424 HG2 PRO 58 1HG PRO 58 -5.680 9.118 0.043 425 HG3 PRO 58 2HG PRO 58 -5.697 9.948 -1.500 426 HD2 PRO 58 1HD PRO 58 -5.877 7.117 -1.072 427 HD3 PRO 58 2HD PRO 58 -5.777 7.939 -2.617 428 H SER 59 H SER 59 -0.508 7.802 -0.347 429 HA SER 59 HA SER 59 -1.277 6.049 1.807 430 HB2 SER 59 1HB SER 59 0.615 5.580 0.109 431 HB3 SER 59 2HB SER 59 1.547 6.799 0.957 432 HG SER 59 HG SER 59 0.505 5.113 2.818 433 H ASN 60 H ASN 60 0.779 8.998 1.251 434 HA ASN 60 HA ASN 60 1.642 9.553 3.666 435 HB2 ASN 60 1HB ASN 60 0.483 11.317 1.498 436 HB3 ASN 60 2HB ASN 60 0.890 12.074 3.025 437 HD21 ASN 60 1HD2 ASN 60 2.475 13.275 1.913 438 HD22 ASN 60 2HD2 ASN 60 4.022 12.605 1.516 439 H TYR 61 H TYR 61 -1.736 9.809 2.491 440 HA TYR 61 HA TYR 61 -2.719 11.211 4.761 441 HB2 TYR 61 1HB TYR 61 -3.844 9.493 2.475 442 HB3 TYR 61 2HB TYR 61 -4.913 10.210 3.663 443 HD1 TYR 61 2HD TYR 61 -2.266 11.120 1.178 444 HD2 TYR 61 1HD TYR 61 -5.729 12.386 3.350 445 HE1 TYR 61 2HE TYR 61 -2.334 13.272 -0.172 446 HE2 TYR 61 1HE TYR 61 -5.786 14.535 1.991 447 HH TYR 61 HH TYR 61 -4.910 15.148 -0.443 448 H VAL 62 H VAL 62 -3.163 7.783 3.617 449 HA VAL 62 HA VAL 62 -4.362 6.969 6.026 450 HB VAL 62 HB VAL 62 -4.203 4.768 5.123 451 HG11 VAL 62 1HG1 VAL 62 -4.546 6.631 2.754 452 HG12 VAL 62 2HG1 VAL 62 -5.311 5.046 3.019 453 HG13 VAL 62 3HG1 VAL 62 -5.759 6.433 4.041 454 HG21 VAL 62 1HG2 VAL 62 -2.362 4.060 4.083 455 HG22 VAL 62 2HG2 VAL 62 -2.775 5.080 2.685 456 HG23 VAL 62 3HG2 VAL 62 -1.746 5.726 3.984 457 H ARG 63 H ARG 63 -3.502 5.634 7.736 458 HA ARG 63 HA ARG 63 -0.805 6.383 8.314 459 HB2 ARG 63 1HB ARG 63 -3.174 5.638 9.818 460 HB3 ARG 63 2HB ARG 63 -1.861 4.584 10.304 461 HG2 ARG 63 1HG ARG 63 -0.476 6.417 10.981 462 HG3 ARG 63 2HG ARG 63 -1.433 7.585 10.093 463 HD2 ARG 63 1HD ARG 63 -3.258 6.342 11.889 464 HD3 ARG 63 2HD ARG 63 -1.801 6.604 12.826 465 HE ARG 63 HE ARG 63 -2.227 8.997 11.402 466 HH11 ARG 63 2HH2 ARG 63 -3.952 7.093 13.806 467 HH12 ARG 63 1HH2 ARG 63 -4.761 8.460 14.495 468 HH21 ARG 63 2HH1 ARG 63 -3.293 10.802 12.310 469 HH22 ARG 63 1HH1 ARG 63 -4.384 10.584 13.638 470 H GLU 64 H GLU 64 0.787 4.695 9.160 471 HA GLU 64 HA GLU 64 0.423 2.237 7.634 472 HB2 GLU 64 1HB GLU 64 2.344 3.150 6.711 473 HB3 GLU 64 2HB GLU 64 2.791 3.991 8.183 474 HG2 GLU 64 1HG GLU 64 3.919 2.169 9.057 475 HG3 GLU 64 2HG GLU 64 2.811 1.005 8.359 476 H ILE 65 H ILE 65 0.729 0.220 8.651 477 HA ILE 65 HA ILE 65 0.852 0.386 11.567 478 HB ILE 65 HB ILE 65 -0.056 -1.882 9.792 479 HG12 ILE 65 1HG1 ILE 65 -1.536 -0.026 9.430 480 HG13 ILE 65 2HG1 ILE 65 -2.348 -1.197 10.450 481 HG21 ILE 65 1HG2 ILE 65 0.546 -1.727 12.594 482 HG22 ILE 65 2HG2 ILE 65 -1.200 -2.000 12.376 483 HG23 ILE 65 3HG2 ILE 65 -0.026 -3.114 11.635 484 HD11 ILE 65 1HD1 ILE 65 -1.591 1.580 11.041 485 HD12 ILE 65 2HD1 ILE 65 -2.758 0.524 11.874 486 HD13 ILE 65 3HD1 ILE 65 -1.031 0.451 12.298 487 H LYS 66 H LYS 66 2.241 -1.357 8.717 488 HA LYS 66 HA LYS 66 4.023 -2.927 10.142 489 HB2 LYS 66 1HB LYS 66 3.812 -1.933 7.330 490 HB3 LYS 66 2HB LYS 66 5.328 -2.653 7.834 491 HG2 LYS 66 1HG LYS 66 3.085 -4.259 8.801 492 HG3 LYS 66 2HG LYS 66 2.946 -4.011 7.072 493 HD2 LYS 66 1HD LYS 66 4.418 -5.743 6.880 494 HD3 LYS 66 2HD LYS 66 5.647 -4.573 7.319 495 HE2 LYS 66 1HE LYS 66 5.977 -6.368 8.852 496 HE3 LYS 66 2HE LYS 66 5.125 -5.158 9.788 497 HZ1 LYS 66 1HZ LYS 66 4.210 -7.411 9.974 498 HZ2 LYS 66 2HZ LYS 66 3.106 -6.324 9.458 499 HZ3 LYS 66 3HZ LYS 66 3.780 -7.368 8.399 500 H SER 67 H SER 67 5.758 -2.456 11.378 501 HA SER 67 HA SER 67 6.717 0.265 11.257 502 HB2 SER 67 1HB SER 67 7.074 -2.006 13.248 503 HB3 SER 67 2HB SER 67 8.027 -0.539 13.352 504 HG SER 67 HG SER 67 6.056 -0.498 14.667 505 H SER 68 H SER 68 7.430 -2.812 9.958 506 HA SER 68 HA SER 68 10.279 -2.326 9.938 507 HB2 SER 68 1HB SER 68 8.543 -4.668 9.751 508 HB3 SER 68 2HB SER 68 9.680 -4.646 8.417 509 HG SER 68 HG SER 68 10.570 -4.167 11.114 510 H GLU 69 H GLU 69 7.508 -1.538 8.139 511 HA GLU 69 HA GLU 69 8.906 -1.668 5.608 512 HB2 GLU 69 1HB GLU 69 6.018 -1.160 6.392 513 HB3 GLU 69 2HB GLU 69 6.588 -0.800 4.774 514 HG2 GLU 69 1HG GLU 69 7.060 -3.524 6.052 515 HG3 GLU 69 2HG GLU 69 5.570 -3.160 5.203 516 H ARG 70 H ARG 70 7.442 0.642 7.947 517 HA ARG 70 HA ARG 70 7.609 2.911 6.487 518 HB2 ARG 70 1HB ARG 70 7.004 2.273 9.109 519 HB3 ARG 70 2HB ARG 70 8.489 3.176 9.333 520 HG2 ARG 70 1HG ARG 70 7.273 4.850 7.580 521 HG3 ARG 70 2HG ARG 70 5.838 4.111 8.263 522 HD2 ARG 70 1HD ARG 70 6.169 5.058 10.357 523 HD3 ARG 70 2HD ARG 70 7.915 4.962 10.247 524 HE ARG 70 HE ARG 70 7.226 6.847 8.313 525 HH11 ARG 70 2HH2 ARG 70 6.656 6.510 11.770 526 HH12 ARG 70 1HH2 ARG 70 6.589 8.218 12.054 527 HH21 ARG 70 2HH1 ARG 70 7.139 9.099 8.689 528 HH22 ARG 70 1HH1 ARG 70 6.866 9.701 10.290 529 H SER 71 H SER 71 10.120 1.609 8.789 530 HA SER 71 HA SER 71 12.018 3.474 7.716 531 HB2 SER 71 1HB SER 71 11.682 2.550 10.218 532 HB3 SER 71 2HB SER 71 12.787 1.309 9.661 533 HG SER 71 HG SER 71 13.572 3.537 10.641 534 H GLY 72 H GLY 72 10.766 0.949 6.289 535 HA2 GLY 72 1HA GLY 72 12.890 -0.889 5.888 536 HA3 GLY 72 2HA GLY 72 11.440 -0.710 4.921 537 HA PRO 73 HA PRO 73 13.986 1.030 1.860 538 HB2 PRO 73 1HB PRO 73 12.076 1.947 0.133 539 HB3 PRO 73 2HB PRO 73 12.600 0.276 0.183 540 HG2 PRO 73 1HG PRO 73 10.093 1.464 1.204 541 HG3 PRO 73 2HG PRO 73 10.450 -0.217 0.860 542 HD2 PRO 73 1HD PRO 73 10.340 1.020 3.446 543 HD3 PRO 73 2HD PRO 73 10.810 -0.631 3.093 544 H SER 74 H SER 74 14.274 2.542 3.960 545 HA SER 74 HA SER 74 14.495 4.578 4.705 546 HB2 SER 74 1HB SER 74 16.187 4.917 3.112 547 HB3 SER 74 2HB SER 74 15.075 4.859 1.758 548 HG SER 74 HG SER 74 15.976 7.039 3.129 549 H SER 75 H SER 75 12.493 5.163 5.604 550 HA SER 75 HA SER 75 10.164 5.567 4.435 551 HB2 SER 75 1HB SER 75 10.337 5.789 6.812 552 HB3 SER 75 2HB SER 75 11.478 7.113 6.694 553 HG SER 75 HG SER 75 9.136 7.633 7.212 554 H GLY 76 H GLY 76 9.613 6.679 2.596 555 HA2 GLY 76 1HA GLY 76 9.251 8.500 1.288 556 HA3 GLY 76 2HA GLY 76 10.148 9.499 2.414 Start of MODEL 7 1 H1 GLY 1 H GLY 1 18.771 -21.232 -4.192 2 HA2 GLY 1 1HA GLY 1 17.424 -19.455 -3.629 3 HA3 GLY 1 2HA GLY 1 18.189 -19.796 -2.090 4 H SER 2 H SER 2 17.276 -17.240 -2.468 5 HA SER 2 HA SER 2 19.672 -15.784 -2.211 6 HB2 SER 2 1HB SER 2 18.296 -15.775 -4.823 7 HB3 SER 2 2HB SER 2 18.482 -14.164 -4.158 8 HG SER 2 HG SER 2 20.375 -14.521 -5.275 9 H SER 3 H SER 3 18.921 -14.994 -0.236 10 HA SER 3 HA SER 3 17.785 -13.801 1.174 11 HB2 SER 3 1HB SER 3 16.755 -12.453 -1.355 12 HB3 SER 3 2HB SER 3 16.336 -11.884 0.250 13 HG SER 3 HG SER 3 18.898 -11.911 -1.046 14 H GLY 4 H GLY 4 16.597 -15.701 1.894 15 HA2 GLY 4 1HA GLY 4 14.776 -16.977 2.254 16 HA3 GLY 4 2HA GLY 4 13.891 -15.470 2.130 17 H SER 5 H SER 5 12.119 -15.807 0.852 18 HA SER 5 HA SER 5 12.392 -17.621 -1.368 19 HB2 SER 5 1HB SER 5 10.397 -17.476 0.328 20 HB3 SER 5 2HB SER 5 9.876 -16.098 -0.621 21 HG SER 5 HG SER 5 9.938 -18.853 -1.306 22 H SER 6 H SER 6 11.059 -14.273 -0.803 23 HA SER 6 HA SER 6 12.209 -13.544 -3.364 24 HB2 SER 6 1HB SER 6 9.383 -12.749 -2.548 25 HB3 SER 6 2HB SER 6 10.172 -12.406 -4.074 26 HG SER 6 HG SER 6 9.605 -15.073 -3.094 27 H GLY 7 H GLY 7 10.206 -12.225 -0.616 28 HA2 GLY 7 1HA GLY 7 11.789 -10.793 0.852 29 HA3 GLY 7 2HA GLY 7 11.904 -9.827 -0.606 30 H SER 8 H SER 8 10.711 -9.200 2.103 31 HA SER 8 HA SER 8 7.944 -9.248 1.900 32 HB2 SER 8 1HB SER 8 9.833 -7.435 3.461 33 HB3 SER 8 2HB SER 8 8.092 -7.397 3.663 34 HG SER 8 HG SER 8 9.007 -9.995 3.804 35 H HIS 9 H HIS 9 6.425 -7.532 1.359 36 HA HIS 9 HA HIS 9 7.455 -5.130 0.194 37 HB2 HIS 9 1HB HIS 9 6.064 -7.176 -1.556 38 HB3 HIS 9 2HB HIS 9 6.347 -5.506 -2.009 39 HD1 HIS 9 1HD HIS 9 7.768 -8.737 -2.478 40 HD2 HIS 9 2HD HIS 9 9.367 -4.927 -1.754 41 HE1 HIS 9 1HE HIS 9 10.205 -8.829 -3.230 42 H GLN 10 H GLN 10 4.662 -7.370 0.677 43 HA GLN 10 HA GLN 10 2.649 -5.583 0.386 44 HB2 GLN 10 1HB GLN 10 2.755 -8.186 1.026 45 HB3 GLN 10 2HB GLN 10 2.482 -7.570 2.643 46 HG2 GLN 10 1HG GLN 10 0.277 -7.805 1.943 47 HG3 GLN 10 2HG GLN 10 0.561 -6.146 1.454 48 HE21 GLN 10 1HE2 GLN 10 0.299 -9.469 0.420 49 HE22 GLN 10 2HE2 GLN 10 0.084 -9.188 -1.276 50 H LEU 11 H LEU 11 2.080 -3.709 1.404 51 HA LEU 11 HA LEU 11 3.173 -3.306 4.100 52 HB2 LEU 11 1HB LEU 11 3.645 -1.831 1.850 53 HB3 LEU 11 2HB LEU 11 2.302 -0.957 2.558 54 HG LEU 11 HG LEU 11 4.944 -1.577 3.906 55 HD11 LEU 11 1HD1 LEU 11 4.867 1.077 3.903 56 HD12 LEU 11 2HD1 LEU 11 5.511 0.148 2.529 57 HD13 LEU 11 3HD1 LEU 11 3.855 0.798 2.465 58 HD21 LEU 11 1HD2 LEU 11 4.165 -0.250 5.781 59 HD22 LEU 11 2HD2 LEU 11 2.599 0.017 4.979 60 HD23 LEU 11 3HD2 LEU 11 3.064 -1.620 5.501 61 H ILE 12 H ILE 12 1.727 -3.300 5.731 62 HA ILE 12 HA ILE 12 -1.085 -3.161 5.011 63 HB ILE 12 HB ILE 12 0.405 -4.014 7.486 64 HG12 ILE 12 1HG1 ILE 12 -1.360 -6.002 6.580 65 HG13 ILE 12 2HG1 ILE 12 -0.628 -5.354 5.125 66 HG21 ILE 12 1HG2 ILE 12 -1.560 -2.868 8.271 67 HG22 ILE 12 2HG2 ILE 12 -2.585 -3.723 7.094 68 HG23 ILE 12 3HG2 ILE 12 -1.815 -4.622 8.424 69 HD11 ILE 12 1HD1 ILE 12 0.969 -6.204 7.583 70 HD12 ILE 12 2HD1 ILE 12 0.681 -7.246 6.169 71 HD13 ILE 12 3HD1 ILE 12 1.621 -5.744 5.992 72 H VAL 13 H VAL 13 -1.979 -1.172 4.893 73 HA VAL 13 HA VAL 13 -1.282 0.697 7.042 74 HB VAL 13 HB VAL 13 -1.187 2.512 5.509 75 HG11 VAL 13 1HG1 VAL 13 0.501 0.926 3.791 76 HG12 VAL 13 2HG1 VAL 13 0.955 2.072 5.074 77 HG13 VAL 13 3HG1 VAL 13 0.651 0.364 5.473 78 HG21 VAL 13 1HG2 VAL 13 -1.364 2.122 3.023 79 HG22 VAL 13 2HG2 VAL 13 -2.010 0.506 3.390 80 HG23 VAL 13 3HG2 VAL 13 -2.891 1.958 3.923 81 H LYS 14 H LYS 14 -3.016 1.934 7.838 82 HA LYS 14 HA LYS 14 -5.623 0.984 6.902 83 HB2 LYS 14 1HB LYS 14 -4.857 0.632 9.313 84 HB3 LYS 14 2HB LYS 14 -5.014 2.365 9.522 85 HG2 LYS 14 1HG LYS 14 -7.166 1.779 10.122 86 HG3 LYS 14 2HG LYS 14 -7.426 1.911 8.395 87 HD2 LYS 14 1HD LYS 14 -8.355 -0.200 8.891 88 HD3 LYS 14 2HD LYS 14 -6.761 -0.619 8.295 89 HE2 LYS 14 1HE LYS 14 -5.909 -1.022 10.501 90 HE3 LYS 14 2HE LYS 14 -7.234 -0.166 11.266 91 HZ1 LYS 14 1HZ LYS 14 -8.243 -2.245 9.691 92 HZ2 LYS 14 2HZ LYS 14 -7.099 -2.844 10.691 93 HZ3 LYS 14 3HZ LYS 14 -8.375 -2.030 11.304 94 H ALA 15 H ALA 15 -7.240 2.427 6.259 95 HA ALA 15 HA ALA 15 -6.409 4.766 5.035 96 HB1 ALA 15 1HB ALA 15 -8.388 3.747 4.252 97 HB2 ALA 15 2HB ALA 15 -9.091 3.646 5.885 98 HB3 ALA 15 3HB ALA 15 -8.963 5.222 5.066 99 H ARG 16 H ARG 16 -7.942 6.903 5.664 100 HA ARG 16 HA ARG 16 -7.237 7.388 8.447 101 HB2 ARG 16 1HB ARG 16 -5.762 8.696 7.001 102 HB3 ARG 16 2HB ARG 16 -7.111 9.256 6.033 103 HG2 ARG 16 1HG ARG 16 -8.044 10.346 8.176 104 HG3 ARG 16 2HG ARG 16 -6.507 9.976 8.935 105 HD2 ARG 16 1HD ARG 16 -5.597 11.173 6.647 106 HD3 ARG 16 2HD ARG 16 -7.137 11.993 6.806 107 HE ARG 16 HE ARG 16 -6.073 12.117 9.369 108 HH11 ARG 16 2HH2 ARG 16 -4.926 13.065 6.180 109 HH12 ARG 16 1HH2 ARG 16 -3.948 14.364 6.778 110 HH21 ARG 16 2HH1 ARG 16 -4.783 13.829 10.158 111 HH22 ARG 16 1HH1 ARG 16 -3.866 14.802 9.056 112 H PHE 17 H PHE 17 -9.359 8.446 5.688 113 HA PHE 17 HA PHE 17 -11.585 8.557 7.549 114 HB2 PHE 17 1HB PHE 17 -12.081 10.861 6.967 115 HB3 PHE 17 2HB PHE 17 -10.357 10.852 7.283 116 HD1 PHE 17 2HD PHE 17 -12.899 10.907 4.613 117 HD2 PHE 17 1HD PHE 17 -8.786 11.343 5.562 118 HE1 PHE 17 2HE PHE 17 -12.474 11.867 2.332 119 HE2 PHE 17 1HE PHE 17 -8.361 12.302 3.282 120 HZ PHE 17 HZ PHE 17 -10.210 12.552 1.694 121 H ASN 18 H ASN 18 -13.659 9.275 6.121 122 HA ASN 18 HA ASN 18 -14.036 7.226 4.345 123 HB2 ASN 18 1HB ASN 18 -15.512 9.907 4.312 124 HB3 ASN 18 2HB ASN 18 -16.143 8.367 3.764 125 HD21 ASN 18 1HD2 ASN 18 -15.592 10.461 6.404 126 HD22 ASN 18 2HD2 ASN 18 -16.258 9.494 7.677 127 H PHE 19 H PHE 19 -12.665 7.062 2.524 128 HA PHE 19 HA PHE 19 -12.254 9.497 0.957 129 HB2 PHE 19 1HB PHE 19 -10.258 8.194 1.736 130 HB3 PHE 19 2HB PHE 19 -10.934 6.720 1.071 131 HD1 PHE 19 1HD PHE 19 -9.341 9.924 0.245 132 HD2 PHE 19 2HD PHE 19 -10.787 6.239 -1.283 133 HE1 PHE 19 1HE PHE 19 -8.146 10.353 -1.920 134 HE2 PHE 19 2HE PHE 19 -9.593 6.668 -3.449 135 HZ PHE 19 HZ PHE 19 -8.287 8.720 -3.741 136 H LYS 20 H LYS 20 -12.660 9.533 -1.314 137 HA LYS 20 HA LYS 20 -14.372 7.321 -2.212 138 HB2 LYS 20 1HB LYS 20 -15.706 9.296 -1.886 139 HB3 LYS 20 2HB LYS 20 -14.563 10.291 -2.767 140 HG2 LYS 20 1HG LYS 20 -15.416 7.978 -4.368 141 HG3 LYS 20 2HG LYS 20 -16.793 8.927 -3.842 142 HD2 LYS 20 1HD LYS 20 -14.966 10.893 -4.628 143 HD3 LYS 20 2HD LYS 20 -14.668 9.613 -5.788 144 HE2 LYS 20 1HE LYS 20 -17.334 9.543 -5.945 145 HE3 LYS 20 2HE LYS 20 -17.217 11.167 -5.296 146 HZ1 LYS 20 1HZ LYS 20 -17.155 11.261 -7.646 147 HZ2 LYS 20 2HZ LYS 20 -15.664 11.661 -7.112 148 HZ3 LYS 20 3HZ LYS 20 -15.935 10.181 -7.747 149 H GLN 21 H GLN 21 -13.831 6.289 -4.096 150 HA GLN 21 HA GLN 21 -11.268 6.926 -5.146 151 HB2 GLN 21 1HB GLN 21 -11.571 4.899 -6.504 152 HB3 GLN 21 2HB GLN 21 -12.016 4.581 -4.839 153 HG2 GLN 21 1HG GLN 21 -14.451 5.117 -5.530 154 HG3 GLN 21 2HG GLN 21 -13.892 5.074 -7.190 155 HE21 GLN 21 1HE2 GLN 21 -12.004 3.075 -7.098 156 HE22 GLN 21 2HE2 GLN 21 -12.751 1.545 -6.779 157 H THR 22 H THR 22 -10.771 7.552 -7.339 158 HA THR 22 HA THR 22 -12.796 9.267 -8.473 159 HB THR 22 HB THR 22 -10.371 9.915 -8.221 160 HG1 THR 22 1HG THR 22 -11.419 9.471 -10.929 161 HG21 THR 22 1HG2 THR 22 -9.861 8.054 -10.578 162 HG22 THR 22 2HG2 THR 22 -8.671 8.927 -9.585 163 HG23 THR 22 3HG2 THR 22 -9.535 7.524 -8.911 164 H ASN 23 H ASN 23 -11.612 6.004 -8.929 165 HA ASN 23 HA ASN 23 -13.578 5.677 -10.968 166 HB2 ASN 23 1HB ASN 23 -10.637 5.709 -11.562 167 HB3 ASN 23 2HB ASN 23 -11.521 4.364 -12.255 168 HD21 ASN 23 1HD2 ASN 23 -13.017 4.678 -13.841 169 HD22 ASN 23 2HD2 ASN 23 -13.253 6.178 -14.677 170 H GLU 24 H GLU 24 -13.315 3.145 -11.747 171 HA GLU 24 HA GLU 24 -13.418 1.678 -9.340 172 HB2 GLU 24 1HB GLU 24 -13.948 -0.243 -10.829 173 HB3 GLU 24 2HB GLU 24 -14.922 1.163 -11.208 174 HG2 GLU 24 1HG GLU 24 -14.230 0.869 -13.358 175 HG3 GLU 24 2HG GLU 24 -12.708 1.565 -12.837 176 H ASP 25 H ASP 25 -10.848 2.686 -11.334 177 HA ASP 25 HA ASP 25 -9.289 0.313 -10.811 178 HB2 ASP 25 1HB ASP 25 -9.272 2.464 -12.772 179 HB3 ASP 25 2HB ASP 25 -7.702 2.384 -11.998 180 H GLU 26 H GLU 26 -10.277 2.727 -8.931 181 HA GLU 26 HA GLU 26 -7.619 3.289 -7.864 182 HB2 GLU 26 1HB GLU 26 -8.580 5.369 -8.567 183 HB3 GLU 26 2HB GLU 26 -10.151 4.967 -7.906 184 HG2 GLU 26 1HG GLU 26 -9.432 5.284 -5.655 185 HG3 GLU 26 2HG GLU 26 -7.737 5.137 -6.075 186 H LEU 27 H LEU 27 -7.380 3.271 -5.511 187 HA LEU 27 HA LEU 27 -9.012 1.241 -4.323 188 HB2 LEU 27 1HB LEU 27 -6.413 1.947 -4.106 189 HB3 LEU 27 2HB LEU 27 -7.064 2.758 -2.695 190 HG LEU 27 HG LEU 27 -6.272 0.631 -1.993 191 HD11 LEU 27 1HD1 LEU 27 -8.848 -0.473 -1.809 192 HD12 LEU 27 2HD1 LEU 27 -8.019 0.568 -0.627 193 HD13 LEU 27 3HD1 LEU 27 -9.079 1.290 -1.861 194 HD21 LEU 27 1HD2 LEU 27 -6.159 -0.477 -4.159 195 HD22 LEU 27 2HD2 LEU 27 -7.008 -1.496 -2.971 196 HD23 LEU 27 3HD2 LEU 27 -7.934 -0.607 -4.205 197 H SER 28 H SER 28 -10.920 1.588 -3.335 198 HA SER 28 HA SER 28 -11.391 4.297 -2.382 199 HB2 SER 28 1HB SER 28 -12.945 2.573 -3.988 200 HB3 SER 28 2HB SER 28 -13.735 2.533 -2.424 201 HG SER 28 HG SER 28 -14.605 4.270 -3.613 202 H VAL 29 H VAL 29 -11.048 4.526 -0.203 203 HA VAL 29 HA VAL 29 -11.803 2.246 1.494 204 HB VAL 29 HB VAL 29 -10.054 3.469 3.045 205 HG11 VAL 29 1HG1 VAL 29 -10.019 1.115 2.090 206 HG12 VAL 29 2HG1 VAL 29 -9.042 1.767 0.753 207 HG13 VAL 29 3HG1 VAL 29 -8.432 1.847 2.422 208 HG21 VAL 29 1HG2 VAL 29 -9.161 4.258 0.253 209 HG22 VAL 29 2HG2 VAL 29 -9.566 5.344 1.603 210 HG23 VAL 29 3HG2 VAL 29 -8.124 4.306 1.698 211 H CYS 30 H CYS 30 -12.795 2.765 3.545 212 HA CYS 30 HA CYS 30 -14.014 5.429 3.486 213 HB2 CYS 30 1HB CYS 30 -15.092 2.735 4.255 214 HB3 CYS 30 2HB CYS 30 -15.724 4.158 5.059 215 HG CYS 30 HG CYS 30 -17.384 3.689 3.185 216 H LYS 31 H LYS 31 -13.722 2.860 6.029 217 HA LYS 31 HA LYS 31 -11.780 4.392 7.482 218 HB2 LYS 31 1HB LYS 31 -14.326 5.232 7.888 219 HB3 LYS 31 2HB LYS 31 -14.239 3.958 9.088 220 HG2 LYS 31 1HG LYS 31 -12.874 5.188 10.429 221 HG3 LYS 31 2HG LYS 31 -11.781 5.547 9.108 222 HD2 LYS 31 1HD LYS 31 -12.611 7.679 9.739 223 HD3 LYS 31 2HD LYS 31 -13.553 7.275 8.318 224 HE2 LYS 31 1HE LYS 31 -15.211 8.000 9.833 225 HE3 LYS 31 2HE LYS 31 -15.288 6.257 10.002 226 HZ1 LYS 31 1HZ LYS 31 -14.915 6.621 12.131 227 HZ2 LYS 31 2HZ LYS 31 -13.378 7.033 11.764 228 HZ3 LYS 31 3HZ LYS 31 -14.522 8.191 11.909 229 H GLY 32 H GLY 32 -10.605 3.080 8.872 230 HA2 GLY 32 1HA GLY 32 -9.813 1.152 9.712 231 HA3 GLY 32 2HA GLY 32 -11.478 0.748 10.083 232 H ASP 33 H ASP 33 -9.330 0.977 7.148 233 HA ASP 33 HA ASP 33 -10.220 -1.702 6.489 234 HB2 ASP 33 1HB ASP 33 -9.884 0.282 4.246 235 HB3 ASP 33 2HB ASP 33 -10.878 -1.160 4.303 236 H ILE 34 H ILE 34 -8.088 -2.489 7.022 237 HA ILE 34 HA ILE 34 -5.722 -1.207 6.338 238 HB ILE 34 HB ILE 34 -6.578 -3.811 7.357 239 HG12 ILE 34 1HG1 ILE 34 -5.780 -2.200 8.896 240 HG13 ILE 34 2HG1 ILE 34 -4.537 -3.430 8.785 241 HG21 ILE 34 1HG2 ILE 34 -5.409 -4.756 5.518 242 HG22 ILE 34 2HG2 ILE 34 -4.063 -3.604 5.689 243 HG23 ILE 34 3HG2 ILE 34 -4.326 -4.857 6.926 244 HD11 ILE 34 1HD1 ILE 34 -3.616 -1.805 6.840 245 HD12 ILE 34 2HD1 ILE 34 -4.504 -0.595 7.796 246 HD13 ILE 34 3HD1 ILE 34 -3.206 -1.548 8.553 247 H ILE 35 H ILE 35 -4.443 -1.145 4.521 248 HA ILE 35 HA ILE 35 -5.457 -2.675 2.225 249 HB ILE 35 HB ILE 35 -4.167 0.048 2.112 250 HG12 ILE 35 1HG1 ILE 35 -6.971 0.067 1.441 251 HG13 ILE 35 2HG1 ILE 35 -6.765 -0.568 3.060 252 HG21 ILE 35 1HG2 ILE 35 -5.789 -1.442 0.033 253 HG22 ILE 35 2HG2 ILE 35 -4.910 0.092 -0.166 254 HG23 ILE 35 3HG2 ILE 35 -4.011 -1.420 0.099 255 HD11 ILE 35 1HD1 ILE 35 -6.785 1.694 3.559 256 HD12 ILE 35 2HD1 ILE 35 -5.042 1.494 3.261 257 HD13 ILE 35 3HD1 ILE 35 -6.092 2.153 1.985 258 H TYR 36 H TYR 36 -3.872 -3.529 0.769 259 HA TYR 36 HA TYR 36 -1.251 -3.802 2.060 260 HB2 TYR 36 1HB TYR 36 -2.774 -5.370 -0.116 261 HB3 TYR 36 2HB TYR 36 -1.209 -5.846 0.513 262 HD1 TYR 36 2HD TYR 36 -1.334 -5.734 3.341 263 HD2 TYR 36 1HD TYR 36 -4.470 -6.762 0.618 264 HE1 TYR 36 2HE TYR 36 -2.483 -7.086 5.162 265 HE2 TYR 36 1HE TYR 36 -5.608 -8.110 2.447 266 HH TYR 36 HH TYR 36 -5.236 -7.763 5.434 267 H VAL 37 H VAL 37 0.255 -2.415 1.263 268 HA VAL 37 HA VAL 37 -0.023 -1.418 -1.424 269 HB VAL 37 HB VAL 37 2.200 -0.953 0.564 270 HG11 VAL 37 1HG1 VAL 37 1.964 -0.178 -2.077 271 HG12 VAL 37 2HG1 VAL 37 1.352 1.240 -1.193 272 HG13 VAL 37 3HG1 VAL 37 2.980 0.611 -0.847 273 HG21 VAL 37 1HG2 VAL 37 0.320 1.209 0.520 274 HG22 VAL 37 2HG2 VAL 37 -0.556 -0.301 0.868 275 HG23 VAL 37 3HG2 VAL 37 0.819 0.187 1.889 276 H THR 38 H THR 38 0.745 -2.468 -3.177 277 HA THR 38 HA THR 38 2.934 -4.382 -2.731 278 HB THR 38 HB THR 38 0.957 -5.508 -3.540 279 HG1 THR 38 1HG THR 38 2.947 -5.935 -4.752 280 HG21 THR 38 1HG2 THR 38 0.822 -3.289 -5.651 281 HG22 THR 38 2HG2 THR 38 -0.189 -4.754 -5.646 282 HG23 THR 38 3HG2 THR 38 -0.358 -3.553 -4.345 283 H ARG 39 H ARG 39 1.728 -1.757 -4.885 284 HA ARG 39 HA ARG 39 3.992 -1.833 -6.508 285 HB2 ARG 39 1HB ARG 39 1.677 -0.750 -6.968 286 HB3 ARG 39 2HB ARG 39 2.230 0.610 -6.012 287 HG2 ARG 39 1HG ARG 39 2.762 1.214 -8.254 288 HG3 ARG 39 2HG ARG 39 4.291 0.697 -7.572 289 HD2 ARG 39 1HD ARG 39 2.787 -1.561 -8.735 290 HD3 ARG 39 2HD ARG 39 3.095 -0.302 -9.916 291 HE ARG 39 HE ARG 39 5.505 -0.758 -8.442 292 HH11 ARG 39 2HH2 ARG 39 3.446 -2.365 -10.801 293 HH12 ARG 39 1HH2 ARG 39 4.737 -3.298 -11.482 294 HH21 ARG 39 2HH1 ARG 39 7.208 -1.988 -9.341 295 HH22 ARG 39 1HH1 ARG 39 6.891 -3.081 -10.647 296 H VAL 40 H VAL 40 2.938 0.812 -4.229 297 HA VAL 40 HA VAL 40 4.077 2.068 -2.803 298 HB VAL 40 HB VAL 40 6.401 0.182 -3.236 299 HG11 VAL 40 1HG1 VAL 40 6.198 1.280 -0.583 300 HG12 VAL 40 2HG1 VAL 40 7.523 1.423 -1.763 301 HG13 VAL 40 3HG1 VAL 40 6.190 2.602 -1.776 302 HG21 VAL 40 1HG2 VAL 40 3.904 -0.509 -2.267 303 HG22 VAL 40 2HG2 VAL 40 5.428 -1.368 -1.938 304 HG23 VAL 40 3HG2 VAL 40 4.826 -0.153 -0.785 305 H GLU 41 H GLU 41 3.779 3.598 -4.651 306 HA GLU 41 HA GLU 41 6.295 4.088 -6.025 307 HB2 GLU 41 1HB GLU 41 3.458 5.025 -6.639 308 HB3 GLU 41 2HB GLU 41 4.869 5.532 -7.545 309 HG2 GLU 41 1HG GLU 41 5.230 2.812 -7.596 310 HG3 GLU 41 2HG GLU 41 3.481 2.882 -7.518 311 H GLU 42 H GLU 42 7.570 5.728 -5.286 312 HA GLU 42 HA GLU 42 6.551 7.427 -3.262 313 HB2 GLU 42 1HB GLU 42 9.234 7.337 -4.704 314 HB3 GLU 42 2HB GLU 42 8.889 8.421 -3.371 315 HG2 GLU 42 1HG GLU 42 8.227 5.539 -2.900 316 HG3 GLU 42 2HG GLU 42 9.933 5.908 -3.054 317 H GLY 43 H GLY 43 6.059 7.448 -6.527 318 HA2 GLY 43 1HA GLY 43 6.703 10.017 -7.400 319 HA3 GLY 43 2HA GLY 43 5.415 9.002 -8.016 320 H GLY 44 H GLY 44 3.702 8.737 -5.801 321 HA2 GLY 44 1HA GLY 44 3.132 10.955 -4.288 322 HA3 GLY 44 2HA GLY 44 2.387 11.275 -5.841 323 H TRP 45 H TRP 45 1.801 8.486 -6.552 324 HA TRP 45 HA TRP 45 -0.448 8.100 -4.721 325 HB2 TRP 45 1HB TRP 45 0.052 7.267 -7.576 326 HB3 TRP 45 2HB TRP 45 -1.263 6.615 -6.617 327 HD1 TRP 45 HD TRP 45 -0.040 10.155 -7.751 328 HE1 TRP 45 1HE TRP 45 -2.098 11.756 -8.155 329 HE3 TRP 45 3HE TRP 45 -3.587 6.830 -6.263 330 HZ2 TRP 45 2HZ TRP 45 -4.916 11.458 -7.815 331 HZ3 TRP 45 3HZ TRP 45 -5.969 7.566 -6.330 332 HH2 TRP 45 HH TRP 45 -6.656 9.790 -7.073 333 H TRP 46 H TRP 46 -1.013 5.728 -4.282 334 HA TRP 46 HA TRP 46 1.377 4.036 -4.278 335 HB2 TRP 46 1HB TRP 46 0.150 5.267 -1.968 336 HB3 TRP 46 2HB TRP 46 0.033 3.522 -1.867 337 HD1 TRP 46 HD TRP 46 3.124 5.058 -3.565 338 HE1 TRP 46 1HE TRP 46 5.309 4.640 -2.145 339 HE3 TRP 46 3HE TRP 46 0.745 3.162 0.509 340 HZ2 TRP 46 2HZ TRP 46 5.786 3.588 0.464 341 HZ3 TRP 46 3HZ TRP 46 2.143 2.464 2.451 342 HH2 TRP 46 HH TRP 46 4.581 2.652 2.472 343 H GLU 47 H GLU 47 0.873 2.049 -5.112 344 HA GLU 47 HA GLU 47 -1.957 1.481 -5.404 345 HB2 GLU 47 1HB GLU 47 -1.136 1.161 -7.520 346 HB3 GLU 47 2HB GLU 47 0.499 0.873 -6.961 347 HG2 GLU 47 1HG GLU 47 -0.142 -1.425 -6.230 348 HG3 GLU 47 2HG GLU 47 -1.791 -1.140 -6.752 349 H GLY 48 H GLY 48 -2.932 -0.013 -4.106 350 HA2 GLY 48 1HA GLY 48 -1.261 -2.162 -2.976 351 HA3 GLY 48 2HA GLY 48 -2.233 -1.158 -1.919 352 H THR 49 H THR 49 -3.378 -3.170 -1.309 353 HA THR 49 HA THR 49 -5.586 -3.659 -3.154 354 HB THR 49 HB THR 49 -3.465 -5.617 -2.282 355 HG1 THR 49 1HG THR 49 -3.596 -5.117 -4.495 356 HG21 THR 49 1HG2 THR 49 -5.221 -6.865 -1.298 357 HG22 THR 49 2HG2 THR 49 -6.451 -6.156 -2.372 358 HG23 THR 49 3HG2 THR 49 -5.324 -7.384 -2.997 359 H LEU 50 H LEU 50 -7.507 -3.610 -2.155 360 HA LEU 50 HA LEU 50 -7.418 -3.754 0.776 361 HB2 LEU 50 1HB LEU 50 -8.046 -1.578 -0.068 362 HB3 LEU 50 2HB LEU 50 -9.289 -2.284 -1.083 363 HG LEU 50 HG LEU 50 -10.505 -3.031 0.948 364 HD11 LEU 50 1HD1 LEU 50 -9.199 -1.305 2.861 365 HD12 LEU 50 2HD1 LEU 50 -9.605 -3.035 2.975 366 HD13 LEU 50 3HD1 LEU 50 -8.065 -2.529 2.241 367 HD21 LEU 50 1HD2 LEU 50 -9.925 -0.130 0.442 368 HD22 LEU 50 2HD2 LEU 50 -11.390 -1.078 0.093 369 HD23 LEU 50 3HD2 LEU 50 -11.012 -0.607 1.767 370 H ASN 51 H ASN 51 -9.601 -4.554 1.733 371 HA ASN 51 HA ASN 51 -9.906 -7.142 1.202 372 HB2 ASN 51 1HB ASN 51 -12.368 -6.763 2.080 373 HB3 ASN 51 2HB ASN 51 -11.029 -6.357 3.136 374 HD21 ASN 51 1HD2 ASN 51 -11.376 -4.572 4.195 375 HD22 ASN 51 2HD2 ASN 51 -12.107 -3.118 3.602 376 H GLY 52 H GLY 52 -9.982 -7.681 -1.068 377 HA2 GLY 52 1HA GLY 52 -11.001 -8.166 -3.014 378 HA3 GLY 52 2HA GLY 52 -12.531 -7.734 -2.278 379 H ARG 53 H ARG 53 -9.795 -5.447 -2.390 380 HA ARG 53 HA ARG 53 -11.108 -4.097 -4.594 381 HB2 ARG 53 1HB ARG 53 -10.961 -3.179 -1.825 382 HB3 ARG 53 2HB ARG 53 -10.085 -2.065 -2.856 383 HG2 ARG 53 1HG ARG 53 -12.031 -1.720 -4.279 384 HG3 ARG 53 2HG ARG 53 -12.901 -3.035 -3.514 385 HD2 ARG 53 1HD ARG 53 -12.774 -1.731 -1.316 386 HD3 ARG 53 2HD ARG 53 -12.098 -0.389 -2.215 387 HE ARG 53 HE ARG 53 -14.206 0.013 -3.209 388 HH11 ARG 53 2HH2 ARG 53 -14.251 -3.011 -1.411 389 HH12 ARG 53 1HH2 ARG 53 -15.973 -3.180 -1.490 390 HH21 ARG 53 2HH1 ARG 53 -16.478 -0.210 -3.314 391 HH22 ARG 53 1HH1 ARG 53 -17.248 -1.577 -2.580 392 H THR 54 H THR 54 -9.625 -2.426 -5.642 393 HA THR 54 HA THR 54 -6.844 -2.508 -4.938 394 HB THR 54 HB THR 54 -7.773 -3.784 -7.564 395 HG1 THR 54 1HG THR 54 -6.510 -4.855 -5.141 396 HG21 THR 54 1HG2 THR 54 -5.040 -3.677 -6.180 397 HG22 THR 54 2HG2 THR 54 -5.408 -4.523 -7.704 398 HG23 THR 54 3HG2 THR 54 -5.477 -2.746 -7.633 399 H GLY 55 H GLY 55 -5.612 -0.886 -5.979 400 HA2 GLY 55 1HA GLY 55 -6.203 0.633 -8.128 401 HA3 GLY 55 2HA GLY 55 -7.244 1.316 -6.896 402 H TRP 56 H TRP 56 -5.721 3.235 -7.472 403 HA TRP 56 HA TRP 56 -3.260 3.027 -5.880 404 HB2 TRP 56 1HB TRP 56 -3.981 4.876 -8.159 405 HB3 TRP 56 2HB TRP 56 -2.534 5.022 -7.183 406 HD1 TRP 56 HD TRP 56 -4.150 2.134 -9.290 407 HE1 TRP 56 1HE TRP 56 -2.288 0.816 -10.616 408 HE3 TRP 56 3HE TRP 56 -0.227 4.825 -7.496 409 HZ2 TRP 56 2HZ TRP 56 0.553 1.041 -10.763 410 HZ3 TRP 56 3HZ TRP 56 2.058 4.212 -8.281 411 HH2 TRP 56 HH TRP 56 2.480 2.393 -9.858 412 H PHE 57 H PHE 57 -3.121 4.263 -4.030 413 HA PHE 57 HA PHE 57 -5.021 6.457 -3.739 414 HB2 PHE 57 1HB PHE 57 -5.527 5.568 -1.430 415 HB3 PHE 57 2HB PHE 57 -5.996 4.415 -2.664 416 HD1 PHE 57 1HD PHE 57 -3.498 5.167 -0.069 417 HD2 PHE 57 2HD PHE 57 -4.908 2.289 -2.849 418 HE1 PHE 57 1HE PHE 57 -2.091 3.409 1.039 419 HE2 PHE 57 2HE PHE 57 -3.501 0.530 -1.741 420 HZ PHE 57 HZ PHE 57 -2.109 1.111 0.190 421 HA PRO 58 HA PRO 58 -1.659 8.392 -1.815 422 HB2 PRO 58 1HB PRO 58 -2.856 10.128 -0.076 423 HB3 PRO 58 2HB PRO 58 -2.719 10.436 -1.796 424 HG2 PRO 58 1HG PRO 58 -5.096 9.614 -0.242 425 HG3 PRO 58 2HG PRO 58 -5.023 10.326 -1.842 426 HD2 PRO 58 1HD PRO 58 -5.503 7.570 -1.213 427 HD3 PRO 58 2HD PRO 58 -5.314 8.262 -2.811 428 H SER 59 H SER 59 -0.093 7.728 -0.490 429 HA SER 59 HA SER 59 -0.970 6.092 1.673 430 HB2 SER 59 1HB SER 59 0.987 5.441 0.331 431 HB3 SER 59 2HB SER 59 1.808 6.935 0.739 432 HG SER 59 HG SER 59 1.849 6.267 2.972 433 H ASN 60 H ASN 60 -0.060 9.426 1.133 434 HA ASN 60 HA ASN 60 0.994 10.003 3.631 435 HB2 ASN 60 1HB ASN 60 -0.182 11.531 1.336 436 HB3 ASN 60 2HB ASN 60 -0.222 12.369 2.875 437 HD21 ASN 60 1HD2 ASN 60 1.589 13.173 3.755 438 HD22 ASN 60 2HD2 ASN 60 3.168 13.098 3.047 439 H TYR 61 H TYR 61 -2.342 9.917 2.265 440 HA TYR 61 HA TYR 61 -3.625 11.121 4.464 441 HB2 TYR 61 1HB TYR 61 -4.325 9.235 2.150 442 HB3 TYR 61 2HB TYR 61 -5.566 9.684 3.304 443 HD1 TYR 61 2HD TYR 61 -2.836 11.668 1.651 444 HD2 TYR 61 1HD TYR 61 -7.036 11.171 2.297 445 HE1 TYR 61 2HE TYR 61 -3.298 13.794 0.335 446 HE2 TYR 61 1HE TYR 61 -7.483 13.298 0.979 447 HH TYR 61 HH TYR 61 -5.437 14.616 -1.062 448 H VAL 62 H VAL 62 -3.580 7.634 3.415 449 HA VAL 62 HA VAL 62 -4.731 6.706 5.782 450 HB VAL 62 HB VAL 62 -4.347 4.586 4.927 451 HG11 VAL 62 1HG1 VAL 62 -4.108 5.669 2.223 452 HG12 VAL 62 2HG1 VAL 62 -5.467 4.823 3.001 453 HG13 VAL 62 3HG1 VAL 62 -5.268 6.578 3.222 454 HG21 VAL 62 1HG2 VAL 62 -2.561 3.980 3.364 455 HG22 VAL 62 2HG2 VAL 62 -1.989 5.666 3.345 456 HG23 VAL 62 3HG2 VAL 62 -1.889 4.709 4.843 457 H ARG 63 H ARG 63 -3.280 4.783 6.970 458 HA ARG 63 HA ARG 63 -0.826 6.125 7.764 459 HB2 ARG 63 1HB ARG 63 -2.599 6.502 9.488 460 HB3 ARG 63 2HB ARG 63 -2.851 4.773 9.620 461 HG2 ARG 63 1HG ARG 63 -0.026 5.285 9.943 462 HG3 ARG 63 2HG ARG 63 -0.897 6.398 10.979 463 HD2 ARG 63 1HD ARG 63 -1.481 3.401 10.910 464 HD3 ARG 63 2HD ARG 63 -0.335 4.122 12.024 465 HE ARG 63 HE ARG 63 -2.623 5.649 12.388 466 HH11 ARG 63 2HH2 ARG 63 -1.936 2.200 12.509 467 HH12 ARG 63 1HH2 ARG 63 -3.172 1.866 13.675 468 HH21 ARG 63 2HH1 ARG 63 -4.254 5.208 13.925 469 HH22 ARG 63 1HH1 ARG 63 -4.500 3.587 14.486 470 H GLU 64 H GLU 64 0.963 4.740 8.026 471 HA GLU 64 HA GLU 64 0.514 2.042 7.165 472 HB2 GLU 64 1HB GLU 64 2.380 3.038 6.109 473 HB3 GLU 64 2HB GLU 64 2.947 3.790 7.587 474 HG2 GLU 64 1HG GLU 64 3.483 1.509 8.515 475 HG3 GLU 64 2HG GLU 64 2.971 0.790 7.002 476 H ILE 65 H ILE 65 1.063 0.142 8.374 477 HA ILE 65 HA ILE 65 1.198 0.652 11.258 478 HB ILE 65 HB ILE 65 0.254 -1.814 9.794 479 HG12 ILE 65 1HG1 ILE 65 -1.235 0.601 10.815 480 HG13 ILE 65 2HG1 ILE 65 -1.319 -0.156 9.237 481 HG21 ILE 65 1HG2 ILE 65 -0.460 -1.210 12.625 482 HG22 ILE 65 2HG2 ILE 65 -0.223 -2.770 11.805 483 HG23 ILE 65 3HG2 ILE 65 1.187 -1.795 12.285 484 HD11 ILE 65 1HD1 ILE 65 -2.250 -2.244 10.400 485 HD12 ILE 65 2HD1 ILE 65 -2.388 -1.251 11.871 486 HD13 ILE 65 3HD1 ILE 65 -3.313 -0.816 10.414 487 H LYS 66 H LYS 66 2.332 -1.734 8.758 488 HA LYS 66 HA LYS 66 4.215 -3.008 10.217 489 HB2 LYS 66 1HB LYS 66 4.129 -2.234 7.301 490 HB3 LYS 66 2HB LYS 66 5.454 -3.176 7.954 491 HG2 LYS 66 1HG LYS 66 2.776 -4.155 8.788 492 HG3 LYS 66 2HG LYS 66 3.037 -4.217 7.057 493 HD2 LYS 66 1HD LYS 66 5.161 -5.265 8.957 494 HD3 LYS 66 2HD LYS 66 3.782 -6.262 8.543 495 HE2 LYS 66 1HE LYS 66 4.325 -5.985 6.106 496 HE3 LYS 66 2HE LYS 66 5.719 -5.015 6.535 497 HZ1 LYS 66 1HZ LYS 66 5.295 -7.860 6.935 498 HZ2 LYS 66 2HZ LYS 66 6.613 -7.080 6.368 499 HZ3 LYS 66 3HZ LYS 66 6.283 -7.069 7.967 500 H SER 67 H SER 67 5.760 -2.242 11.549 501 HA SER 67 HA SER 67 6.777 0.381 11.108 502 HB2 SER 67 1HB SER 67 7.844 0.130 13.244 503 HB3 SER 67 2HB SER 67 6.276 -0.639 13.384 504 HG SER 67 HG SER 67 8.697 -1.731 13.840 505 H SER 68 H SER 68 7.555 -2.821 10.083 506 HA SER 68 HA SER 68 10.371 -2.333 9.920 507 HB2 SER 68 1HB SER 68 8.516 -4.624 9.364 508 HB3 SER 68 2HB SER 68 10.017 -4.598 8.460 509 HG SER 68 HG SER 68 9.584 -4.935 11.249 510 H GLU 69 H GLU 69 7.611 -1.432 8.159 511 HA GLU 69 HA GLU 69 9.016 -1.520 5.623 512 HB2 GLU 69 1HB GLU 69 6.116 -0.891 6.323 513 HB3 GLU 69 2HB GLU 69 6.764 -0.785 4.697 514 HG2 GLU 69 1HG GLU 69 6.853 -3.313 6.411 515 HG3 GLU 69 2HG GLU 69 5.619 -2.987 5.210 516 H ARG 70 H ARG 70 8.242 0.579 8.277 517 HA ARG 70 HA ARG 70 8.361 2.946 6.679 518 HB2 ARG 70 1HB ARG 70 7.376 2.250 9.271 519 HB3 ARG 70 2HB ARG 70 8.657 3.414 9.550 520 HG2 ARG 70 1HG ARG 70 7.546 4.866 7.715 521 HG3 ARG 70 2HG ARG 70 6.180 3.771 7.809 522 HD2 ARG 70 1HD ARG 70 5.548 4.505 9.928 523 HD3 ARG 70 2HD ARG 70 7.193 4.853 10.421 524 HE ARG 70 HE ARG 70 6.280 6.621 8.284 525 HH11 ARG 70 2HH2 ARG 70 6.260 6.106 11.765 526 HH12 ARG 70 1HH2 ARG 70 6.005 7.777 12.140 527 HH21 ARG 70 2HH1 ARG 70 5.944 8.827 8.778 528 HH22 ARG 70 1HH1 ARG 70 5.823 9.335 10.429 529 H SER 71 H SER 71 10.369 1.159 9.094 530 HA SER 71 HA SER 71 12.505 3.062 8.627 531 HB2 SER 71 1HB SER 71 11.688 2.167 10.977 532 HB3 SER 71 2HB SER 71 12.650 0.755 10.582 533 HG SER 71 HG SER 71 13.881 2.339 11.779 534 H GLY 72 H GLY 72 11.399 0.684 6.862 535 HA2 GLY 72 1HA GLY 72 13.984 -0.145 5.912 536 HA3 GLY 72 2HA GLY 72 13.093 -1.436 6.692 537 HA PRO 73 HA PRO 73 10.429 -0.126 3.010 538 HB2 PRO 73 1HB PRO 73 11.132 2.014 1.463 539 HB3 PRO 73 2HB PRO 73 9.995 2.124 2.793 540 HG2 PRO 73 1HG PRO 73 12.804 3.041 2.675 541 HG3 PRO 73 2HG PRO 73 11.544 3.506 3.800 542 HD2 PRO 73 1HD PRO 73 13.715 1.700 4.306 543 HD3 PRO 73 2HD PRO 73 12.391 2.078 5.390 544 H SER 74 H SER 74 12.015 -2.100 2.886 545 HA SER 74 HA SER 74 12.330 -2.632 0.273 546 HB2 SER 74 1HB SER 74 15.038 -2.483 0.343 547 HB3 SER 74 2HB SER 74 14.029 -1.228 -0.349 548 HG SER 74 HG SER 74 15.567 -1.209 2.005 549 H SER 75 H SER 75 13.322 -4.763 -0.061 550 HA SER 75 HA SER 75 14.769 -6.007 1.974 551 HB2 SER 75 1HB SER 75 12.308 -5.892 2.889 552 HB3 SER 75 2HB SER 75 11.976 -7.158 1.724 553 HG SER 75 HG SER 75 12.645 -8.445 3.311 554 H GLY 76 H GLY 76 15.433 -8.195 1.316 555 HA2 GLY 76 1HA GLY 76 16.066 -9.694 -0.234 556 HA3 GLY 76 2HA GLY 76 14.403 -9.657 -0.785 Start of MODEL 8 1 H1 GLY 1 H GLY 1 1.506 -19.231 -3.117 2 HA2 GLY 1 1HA GLY 1 2.306 -17.385 -4.927 3 HA3 GLY 1 2HA GLY 1 3.351 -18.631 -4.272 4 H SER 2 H SER 2 3.986 -17.780 -6.772 5 HA SER 2 HA SER 2 3.441 -20.143 -8.294 6 HB2 SER 2 1HB SER 2 1.592 -18.718 -9.028 7 HB3 SER 2 2HB SER 2 2.677 -17.371 -9.305 8 HG SER 2 HG SER 2 2.856 -18.121 -11.297 9 H SER 3 H SER 3 4.747 -16.753 -8.612 10 HA SER 3 HA SER 3 7.384 -17.575 -8.605 11 HB2 SER 3 1HB SER 3 7.902 -17.043 -11.066 12 HB3 SER 3 2HB SER 3 7.149 -18.592 -10.742 13 HG SER 3 HG SER 3 5.750 -16.196 -11.585 14 H GLY 4 H GLY 4 8.871 -15.698 -9.002 15 HA2 GLY 4 1HA GLY 4 9.123 -13.399 -9.591 16 HA3 GLY 4 2HA GLY 4 7.448 -13.117 -9.162 17 H SER 5 H SER 5 7.541 -11.681 -7.460 18 HA SER 5 HA SER 5 7.974 -10.856 -5.499 19 HB2 SER 5 1HB SER 5 6.938 -12.670 -4.429 20 HB3 SER 5 2HB SER 5 8.162 -13.815 -4.942 21 HG SER 5 HG SER 5 8.747 -11.676 -3.090 22 H SER 6 H SER 6 9.767 -9.541 -5.435 23 HA SER 6 HA SER 6 12.219 -10.714 -4.586 24 HB2 SER 6 1HB SER 6 11.785 -10.064 -7.411 25 HB3 SER 6 2HB SER 6 13.106 -9.122 -6.748 26 HG SER 6 HG SER 6 14.280 -10.887 -7.025 27 H GLY 7 H GLY 7 10.763 -7.763 -6.149 28 HA2 GLY 7 1HA GLY 7 12.152 -6.101 -4.152 29 HA3 GLY 7 2HA GLY 7 11.525 -5.568 -5.699 30 H SER 8 H SER 8 10.958 -4.411 -3.051 31 HA SER 8 HA SER 8 9.288 -3.599 -1.927 32 HB2 SER 8 1HB SER 8 8.387 -3.426 -4.422 33 HB3 SER 8 2HB SER 8 7.242 -4.641 -3.892 34 HG SER 8 HG SER 8 6.335 -3.234 -2.431 35 H HIS 9 H HIS 9 7.294 -4.193 -0.577 36 HA HIS 9 HA HIS 9 6.669 -6.999 -0.521 37 HB2 HIS 9 1HB HIS 9 8.828 -6.264 0.960 38 HB3 HIS 9 2HB HIS 9 7.547 -5.989 2.124 39 HD1 HIS 9 1HD HIS 9 9.851 -8.478 1.478 40 HD2 HIS 9 2HD HIS 9 5.669 -8.567 1.793 41 HE1 HIS 9 1HE HIS 9 9.227 -10.892 2.020 42 H GLN 10 H GLN 10 4.637 -7.393 0.415 43 HA GLN 10 HA GLN 10 2.765 -5.532 0.288 44 HB2 GLN 10 1HB GLN 10 2.381 -7.963 0.697 45 HB3 GLN 10 2HB GLN 10 2.860 -7.760 2.371 46 HG2 GLN 10 1HG GLN 10 0.922 -6.553 2.933 47 HG3 GLN 10 2HG GLN 10 0.674 -5.975 1.296 48 HE21 GLN 10 1HE2 GLN 10 0.041 -8.419 3.605 49 HE22 GLN 10 2HE2 GLN 10 -0.978 -9.447 2.652 50 H LEU 11 H LEU 11 1.929 -3.821 1.494 51 HA LEU 11 HA LEU 11 3.226 -3.352 4.087 52 HB2 LEU 11 1HB LEU 11 3.690 -1.893 1.823 53 HB3 LEU 11 2HB LEU 11 2.382 -0.987 2.556 54 HG LEU 11 HG LEU 11 5.020 -1.680 3.880 55 HD11 LEU 11 1HD1 LEU 11 5.049 0.977 3.819 56 HD12 LEU 11 2HD1 LEU 11 5.660 -0.011 2.470 57 HD13 LEU 11 3HD1 LEU 11 4.031 0.702 2.385 58 HD21 LEU 11 1HD2 LEU 11 2.646 -0.109 4.912 59 HD22 LEU 11 2HD2 LEU 11 3.311 -1.626 5.563 60 HD23 LEU 11 3HD2 LEU 11 4.257 -0.122 5.668 61 H ILE 12 H ILE 12 1.805 -3.321 5.739 62 HA ILE 12 HA ILE 12 -1.014 -3.111 5.065 63 HB ILE 12 HB ILE 12 0.493 -4.002 7.516 64 HG12 ILE 12 1HG1 ILE 12 -1.323 -5.953 6.642 65 HG13 ILE 12 2HG1 ILE 12 -0.616 -5.315 5.171 66 HG21 ILE 12 1HG2 ILE 12 -2.517 -3.885 7.212 67 HG22 ILE 12 2HG2 ILE 12 -1.585 -4.423 8.630 68 HG23 ILE 12 3HG2 ILE 12 -1.551 -2.712 8.139 69 HD11 ILE 12 1HD1 ILE 12 1.014 -6.221 7.588 70 HD12 ILE 12 2HD1 ILE 12 0.695 -7.225 6.154 71 HD13 ILE 12 3HD1 ILE 12 1.652 -5.733 6.000 72 H VAL 13 H VAL 13 -1.892 -1.117 4.992 73 HA VAL 13 HA VAL 13 -1.107 0.736 7.124 74 HB VAL 13 HB VAL 13 -0.974 2.551 5.604 75 HG11 VAL 13 1HG1 VAL 13 0.572 0.705 3.903 76 HG12 VAL 13 2HG1 VAL 13 1.109 2.093 4.879 77 HG13 VAL 13 3HG1 VAL 13 0.857 0.508 5.649 78 HG21 VAL 13 1HG2 VAL 13 -1.142 1.995 3.056 79 HG22 VAL 13 2HG2 VAL 13 -2.114 0.609 3.606 80 HG23 VAL 13 3HG2 VAL 13 -2.629 2.268 3.997 81 H LYS 14 H LYS 14 -2.825 1.682 8.151 82 HA LYS 14 HA LYS 14 -5.445 0.845 7.255 83 HB2 LYS 14 1HB LYS 14 -4.724 0.607 9.625 84 HB3 LYS 14 2HB LYS 14 -4.608 2.351 9.751 85 HG2 LYS 14 1HG LYS 14 -6.777 1.955 10.564 86 HG3 LYS 14 2HG LYS 14 -7.093 2.360 8.888 87 HD2 LYS 14 1HD LYS 14 -8.196 0.380 8.731 88 HD3 LYS 14 2HD LYS 14 -6.628 -0.401 8.785 89 HE2 LYS 14 1HE LYS 14 -8.610 0.026 11.033 90 HE3 LYS 14 2HE LYS 14 -7.797 -1.451 10.554 91 HZ1 LYS 14 1HZ LYS 14 -6.399 -0.961 12.176 92 HZ2 LYS 14 2HZ LYS 14 -5.777 0.204 11.216 93 HZ3 LYS 14 3HZ LYS 14 -6.915 0.581 12.324 94 H ALA 15 H ALA 15 -6.976 2.144 6.321 95 HA ALA 15 HA ALA 15 -6.200 4.457 5.033 96 HB1 ALA 15 1HB ALA 15 -8.848 3.206 5.779 97 HB2 ALA 15 2HB ALA 15 -8.798 4.785 4.958 98 HB3 ALA 15 3HB ALA 15 -8.084 3.354 4.179 99 H ARG 16 H ARG 16 -6.724 6.712 5.395 100 HA ARG 16 HA ARG 16 -6.472 7.353 8.153 101 HB2 ARG 16 1HB ARG 16 -5.282 8.548 6.217 102 HB3 ARG 16 2HB ARG 16 -6.826 9.257 5.787 103 HG2 ARG 16 1HG ARG 16 -6.923 10.584 7.732 104 HG3 ARG 16 2HG ARG 16 -5.877 9.515 8.644 105 HD2 ARG 16 1HD ARG 16 -4.115 10.260 6.706 106 HD3 ARG 16 2HD ARG 16 -5.145 11.678 6.688 107 HE ARG 16 HE ARG 16 -4.136 12.316 8.683 108 HH11 ARG 16 2HH2 ARG 16 -4.064 8.803 8.487 109 HH12 ARG 16 1HH2 ARG 16 -3.222 8.610 9.990 110 HH21 ARG 16 2HH1 ARG 16 -3.026 12.061 10.664 111 HH22 ARG 16 1HH1 ARG 16 -2.628 10.475 11.236 112 H PHE 17 H PHE 17 -8.713 8.483 5.503 113 HA PHE 17 HA PHE 17 -10.936 8.242 7.343 114 HB2 PHE 17 1HB PHE 17 -11.566 10.623 6.941 115 HB3 PHE 17 2HB PHE 17 -9.954 10.561 7.626 116 HD1 PHE 17 1HD PHE 17 -7.971 10.848 6.102 117 HD2 PHE 17 2HD PHE 17 -11.948 11.564 4.803 118 HE1 PHE 17 1HE PHE 17 -7.098 12.182 4.164 119 HE2 PHE 17 2HE PHE 17 -11.075 12.898 2.866 120 HZ PHE 17 HZ PHE 17 -8.660 13.192 2.569 121 H ASN 18 H ASN 18 -12.898 9.540 5.853 122 HA ASN 18 HA ASN 18 -13.479 7.669 3.956 123 HB2 ASN 18 1HB ASN 18 -14.442 10.576 3.948 124 HB3 ASN 18 2HB ASN 18 -15.285 9.204 3.257 125 HD21 ASN 18 1HD2 ASN 18 -16.909 8.526 4.408 126 HD22 ASN 18 2HD2 ASN 18 -17.051 8.515 6.134 127 H PHE 19 H PHE 19 -12.640 7.355 1.886 128 HA PHE 19 HA PHE 19 -11.610 9.718 0.495 129 HB2 PHE 19 1HB PHE 19 -9.716 8.413 1.440 130 HB3 PHE 19 2HB PHE 19 -10.418 6.910 0.875 131 HD1 PHE 19 2HD PHE 19 -8.701 9.990 -0.180 132 HD2 PHE 19 1HD PHE 19 -10.116 6.174 -1.383 133 HE1 PHE 19 2HE PHE 19 -7.376 10.169 -2.304 134 HE2 PHE 19 1HE PHE 19 -8.791 6.352 -3.506 135 HZ PHE 19 HZ PHE 19 -7.437 8.348 -3.942 136 H LYS 20 H LYS 20 -13.105 9.969 -1.125 137 HA LYS 20 HA LYS 20 -14.354 7.676 -2.301 138 HB2 LYS 20 1HB LYS 20 -15.513 9.846 -1.892 139 HB3 LYS 20 2HB LYS 20 -14.491 10.598 -3.100 140 HG2 LYS 20 1HG LYS 20 -16.269 10.022 -4.467 141 HG3 LYS 20 2HG LYS 20 -15.346 8.540 -4.607 142 HD2 LYS 20 1HD LYS 20 -16.862 7.315 -3.381 143 HD3 LYS 20 2HD LYS 20 -17.170 8.621 -2.255 144 HE2 LYS 20 1HE LYS 20 -18.437 9.782 -4.220 145 HE3 LYS 20 2HE LYS 20 -18.371 8.225 -5.025 146 HZ1 LYS 20 1HZ LYS 20 -19.858 9.000 -2.680 147 HZ2 LYS 20 2HZ LYS 20 -20.265 7.968 -3.879 148 HZ3 LYS 20 3HZ LYS 20 -19.266 7.478 -2.684 149 H GLN 21 H GLN 21 -13.916 6.696 -4.260 150 HA GLN 21 HA GLN 21 -11.327 7.296 -5.318 151 HB2 GLN 21 1HB GLN 21 -11.625 5.242 -6.625 152 HB3 GLN 21 2HB GLN 21 -12.062 4.950 -4.954 153 HG2 GLN 21 1HG GLN 21 -14.503 5.458 -5.645 154 HG3 GLN 21 2HG GLN 21 -13.950 5.389 -7.306 155 HE21 GLN 21 1HE2 GLN 21 -12.217 3.411 -7.462 156 HE22 GLN 21 2HE2 GLN 21 -12.895 1.879 -7.018 157 H THR 22 H THR 22 -10.883 7.845 -7.554 158 HA THR 22 HA THR 22 -12.974 9.505 -8.686 159 HB THR 22 HB THR 22 -11.165 10.480 -9.911 160 HG1 THR 22 1HG THR 22 -9.978 7.871 -9.301 161 HG21 THR 22 1HG2 THR 22 -10.793 10.133 -7.166 162 HG22 THR 22 2HG2 THR 22 -9.288 9.466 -7.845 163 HG23 THR 22 3HG2 THR 22 -9.764 11.142 -8.211 164 H ASN 23 H ASN 23 -11.648 6.294 -9.091 165 HA ASN 23 HA ASN 23 -13.562 5.878 -11.171 166 HB2 ASN 23 1HB ASN 23 -10.581 5.862 -11.652 167 HB3 ASN 23 2HB ASN 23 -11.515 4.598 -12.426 168 HD21 ASN 23 1HD2 ASN 23 -10.399 7.725 -12.638 169 HD22 ASN 23 2HD2 ASN 23 -11.406 8.340 -13.906 170 H GLU 24 H GLU 24 -13.299 3.346 -11.858 171 HA GLU 24 HA GLU 24 -13.413 1.929 -9.429 172 HB2 GLU 24 1HB GLU 24 -13.843 -0.044 -10.914 173 HB3 GLU 24 2HB GLU 24 -14.882 1.322 -11.269 174 HG2 GLU 24 1HG GLU 24 -12.434 1.553 -12.825 175 HG3 GLU 24 2HG GLU 24 -13.116 -0.045 -13.059 176 H ASP 25 H ASP 25 -10.870 2.734 -11.665 177 HA ASP 25 HA ASP 25 -9.284 0.455 -11.010 178 HB2 ASP 25 1HB ASP 25 -9.301 2.472 -13.020 179 HB3 ASP 25 2HB ASP 25 -7.807 2.716 -12.138 180 H GLU 26 H GLU 26 -10.302 2.927 -9.161 181 HA GLU 26 HA GLU 26 -7.669 3.468 -8.031 182 HB2 GLU 26 1HB GLU 26 -8.671 5.542 -8.671 183 HB3 GLU 26 2HB GLU 26 -10.244 5.077 -8.054 184 HG2 GLU 26 1HG GLU 26 -9.623 5.419 -5.805 185 HG3 GLU 26 2HG GLU 26 -7.916 5.189 -6.129 186 H LEU 27 H LEU 27 -7.421 3.368 -5.689 187 HA LEU 27 HA LEU 27 -9.015 1.276 -4.558 188 HB2 LEU 27 1HB LEU 27 -6.427 2.033 -4.323 189 HB3 LEU 27 2HB LEU 27 -7.094 2.773 -2.882 190 HG LEU 27 HG LEU 27 -6.325 0.686 -2.172 191 HD11 LEU 27 1HD1 LEU 27 -8.170 0.317 -1.004 192 HD12 LEU 27 2HD1 LEU 27 -9.139 1.169 -2.230 193 HD13 LEU 27 3HD1 LEU 27 -8.860 -0.584 -2.375 194 HD21 LEU 27 1HD2 LEU 27 -7.781 -0.958 -4.186 195 HD22 LEU 27 2HD2 LEU 27 -6.309 -0.108 -4.713 196 HD23 LEU 27 3HD2 LEU 27 -6.236 -1.255 -3.354 197 H SER 28 H SER 28 -10.939 1.572 -3.583 198 HA SER 28 HA SER 28 -11.525 4.252 -2.656 199 HB2 SER 28 1HB SER 28 -13.884 2.994 -2.355 200 HB3 SER 28 2HB SER 28 -13.365 3.643 -3.898 201 HG SER 28 HG SER 28 -12.991 1.638 -4.685 202 H VAL 29 H VAL 29 -11.095 4.662 -0.519 203 HA VAL 29 HA VAL 29 -11.635 2.480 1.374 204 HB VAL 29 HB VAL 29 -9.748 3.384 2.714 205 HG11 VAL 29 1HG1 VAL 29 -8.980 2.424 -0.063 206 HG12 VAL 29 2HG1 VAL 29 -7.986 2.310 1.410 207 HG13 VAL 29 3HG1 VAL 29 -9.501 1.384 1.284 208 HG21 VAL 29 1HG2 VAL 29 -9.424 5.589 1.986 209 HG22 VAL 29 2HG2 VAL 29 -8.023 4.713 1.325 210 HG23 VAL 29 3HG2 VAL 29 -9.398 5.121 0.269 211 H CYS 30 H CYS 30 -12.813 3.035 3.198 212 HA CYS 30 HA CYS 30 -13.814 5.777 3.172 213 HB2 CYS 30 1HB CYS 30 -15.162 3.342 3.307 214 HB3 CYS 30 2HB CYS 30 -15.184 3.911 4.965 215 HG CYS 30 HG CYS 30 -17.060 4.629 2.713 216 H LYS 31 H LYS 31 -13.324 3.196 5.694 217 HA LYS 31 HA LYS 31 -11.360 4.730 7.062 218 HB2 LYS 31 1HB LYS 31 -13.982 5.518 7.577 219 HB3 LYS 31 2HB LYS 31 -13.608 4.441 8.908 220 HG2 LYS 31 1HG LYS 31 -11.902 5.801 9.728 221 HG3 LYS 31 2HG LYS 31 -11.483 6.423 8.144 222 HD2 LYS 31 1HD LYS 31 -12.915 8.191 8.333 223 HD3 LYS 31 2HD LYS 31 -14.221 7.182 8.924 224 HE2 LYS 31 1HE LYS 31 -13.753 8.597 10.767 225 HE3 LYS 31 2HE LYS 31 -12.918 7.113 11.182 226 HZ1 LYS 31 1HZ LYS 31 -11.833 9.666 10.534 227 HZ2 LYS 31 2HZ LYS 31 -11.177 8.445 11.397 228 HZ3 LYS 31 3HZ LYS 31 -11.078 8.437 9.767 229 H GLY 32 H GLY 32 -10.364 3.502 8.765 230 HA2 GLY 32 1HA GLY 32 -9.561 1.553 9.561 231 HA3 GLY 32 2HA GLY 32 -11.237 1.200 9.929 232 H ASP 33 H ASP 33 -9.156 1.352 6.942 233 HA ASP 33 HA ASP 33 -10.047 -1.352 6.383 234 HB2 ASP 33 1HB ASP 33 -10.558 1.097 4.797 235 HB3 ASP 33 2HB ASP 33 -9.800 -0.173 3.856 236 H ILE 34 H ILE 34 -7.885 -2.064 6.984 237 HA ILE 34 HA ILE 34 -5.540 -0.827 6.167 238 HB ILE 34 HB ILE 34 -6.368 -3.316 7.421 239 HG12 ILE 34 1HG1 ILE 34 -3.725 -2.542 8.118 240 HG13 ILE 34 2HG1 ILE 34 -4.639 -1.064 7.885 241 HG21 ILE 34 1HG2 ILE 34 -4.362 -4.611 6.928 242 HG22 ILE 34 2HG2 ILE 34 -5.309 -4.320 5.449 243 HG23 ILE 34 3HG2 ILE 34 -3.833 -3.375 5.761 244 HD11 ILE 34 1HD1 ILE 34 -6.500 -2.386 9.295 245 HD12 ILE 34 2HD1 ILE 34 -5.074 -3.275 9.879 246 HD13 ILE 34 3HD1 ILE 34 -5.176 -1.513 10.101 247 H ILE 35 H ILE 35 -4.397 -0.764 4.286 248 HA ILE 35 HA ILE 35 -5.411 -2.479 2.127 249 HB ILE 35 HB ILE 35 -4.147 0.245 1.848 250 HG12 ILE 35 1HG1 ILE 35 -6.918 0.250 1.147 251 HG13 ILE 35 2HG1 ILE 35 -6.776 -0.408 2.765 252 HG21 ILE 35 1HG2 ILE 35 -4.951 0.149 -0.434 253 HG22 ILE 35 2HG2 ILE 35 -3.924 -1.264 -0.093 254 HG23 ILE 35 3HG2 ILE 35 -5.695 -1.441 -0.138 255 HD11 ILE 35 1HD1 ILE 35 -5.207 1.583 3.284 256 HD12 ILE 35 2HD1 ILE 35 -5.778 2.280 1.750 257 HD13 ILE 35 3HD1 ILE 35 -6.933 1.958 3.064 258 H TYR 36 H TYR 36 -3.920 -3.625 0.879 259 HA TYR 36 HA TYR 36 -1.274 -3.797 2.084 260 HB2 TYR 36 1HB TYR 36 -2.830 -5.372 -0.062 261 HB3 TYR 36 2HB TYR 36 -1.262 -5.860 0.547 262 HD1 TYR 36 1HD TYR 36 -1.358 -5.685 3.386 263 HD2 TYR 36 2HD TYR 36 -4.512 -6.762 0.703 264 HE1 TYR 36 1HE TYR 36 -2.496 -6.998 5.240 265 HE2 TYR 36 2HE TYR 36 -5.640 -8.073 2.568 266 HH TYR 36 HH TYR 36 -4.838 -9.238 4.686 267 H VAL 37 H VAL 37 0.267 -2.454 1.277 268 HA VAL 37 HA VAL 37 0.027 -1.483 -1.421 269 HB VAL 37 HB VAL 37 2.258 -1.070 0.572 270 HG11 VAL 37 1HG1 VAL 37 2.572 -0.417 -1.867 271 HG12 VAL 37 2HG1 VAL 37 1.291 0.794 -1.611 272 HG13 VAL 37 3HG1 VAL 37 2.800 0.881 -0.670 273 HG21 VAL 37 1HG2 VAL 37 -0.451 -0.370 0.918 274 HG22 VAL 37 2HG2 VAL 37 0.951 0.206 1.853 275 HG23 VAL 37 3HG2 VAL 37 0.383 1.128 0.440 276 H THR 38 H THR 38 0.778 -2.552 -3.169 277 HA THR 38 HA THR 38 2.880 -4.558 -2.703 278 HB THR 38 HB THR 38 0.881 -5.592 -3.567 279 HG1 THR 38 1HG THR 38 1.718 -6.117 -5.732 280 HG21 THR 38 1HG2 THR 38 -0.184 -4.747 -5.698 281 HG22 THR 38 2HG2 THR 38 -0.372 -3.604 -4.347 282 HG23 THR 38 3HG2 THR 38 0.852 -3.302 -5.603 283 H ARG 39 H ARG 39 1.849 -1.836 -4.824 284 HA ARG 39 HA ARG 39 4.160 -2.009 -6.394 285 HB2 ARG 39 1HB ARG 39 2.022 -0.903 -7.118 286 HB3 ARG 39 2HB ARG 39 2.278 0.360 -5.931 287 HG2 ARG 39 1HG ARG 39 3.607 1.489 -7.376 288 HG3 ARG 39 2HG ARG 39 4.700 0.122 -7.475 289 HD2 ARG 39 1HD ARG 39 3.499 -0.844 -9.332 290 HD3 ARG 39 2HD ARG 39 2.111 0.195 -9.079 291 HE ARG 39 HE ARG 39 4.143 2.008 -9.536 292 HH11 ARG 39 2HH2 ARG 39 2.995 -0.821 -11.286 293 HH12 ARG 39 1HH2 ARG 39 3.468 -0.211 -12.836 294 HH21 ARG 39 2HH1 ARG 39 4.766 2.813 -11.581 295 HH22 ARG 39 1HH1 ARG 39 4.482 1.870 -13.006 296 H VAL 40 H VAL 40 3.120 0.742 -4.242 297 HA VAL 40 HA VAL 40 4.241 1.930 -2.735 298 HB VAL 40 HB VAL 40 6.570 0.044 -3.119 299 HG11 VAL 40 1HG1 VAL 40 6.230 1.045 -0.444 300 HG12 VAL 40 2HG1 VAL 40 7.605 1.249 -1.556 301 HG13 VAL 40 3HG1 VAL 40 6.256 2.410 -1.586 302 HG21 VAL 40 1HG2 VAL 40 5.697 -1.383 -1.453 303 HG22 VAL 40 2HG2 VAL 40 4.444 -0.210 -0.984 304 HG23 VAL 40 3HG2 VAL 40 4.329 -1.059 -2.544 305 H GLU 41 H GLU 41 4.040 3.540 -4.480 306 HA GLU 41 HA GLU 41 6.552 3.942 -5.889 307 HB2 GLU 41 1HB GLU 41 3.710 4.878 -6.409 308 HB3 GLU 41 2HB GLU 41 5.072 5.640 -7.206 309 HG2 GLU 41 1HG GLU 41 5.180 2.681 -7.310 310 HG3 GLU 41 2HG GLU 41 3.753 3.341 -8.085 311 H GLU 42 H GLU 42 7.543 6.086 -5.918 312 HA GLU 42 HA GLU 42 6.894 7.525 -3.483 313 HB2 GLU 42 1HB GLU 42 9.153 8.379 -3.542 314 HB3 GLU 42 2HB GLU 42 9.238 6.656 -3.844 315 HG2 GLU 42 1HG GLU 42 9.139 7.296 -6.383 316 HG3 GLU 42 2HG GLU 42 9.515 8.923 -5.851 317 H GLY 43 H GLY 43 6.081 7.593 -6.701 318 HA2 GLY 43 1HA GLY 43 6.556 10.207 -7.552 319 HA3 GLY 43 2HA GLY 43 5.255 9.159 -8.082 320 H GLY 44 H GLY 44 3.781 8.771 -5.703 321 HA2 GLY 44 1HA GLY 44 3.241 10.836 -4.040 322 HA3 GLY 44 2HA GLY 44 2.439 11.319 -5.522 323 H TRP 45 H TRP 45 1.903 8.502 -6.407 324 HA TRP 45 HA TRP 45 -0.365 8.037 -4.618 325 HB2 TRP 45 1HB TRP 45 0.137 7.114 -7.453 326 HB3 TRP 45 2HB TRP 45 -1.290 6.752 -6.502 327 HD1 TRP 45 HD TRP 45 0.527 10.021 -7.674 328 HE1 TRP 45 1HE TRP 45 -1.241 11.870 -8.322 329 HE3 TRP 45 3HE TRP 45 -3.574 7.271 -6.464 330 HZ2 TRP 45 2HZ TRP 45 -4.092 11.973 -8.256 331 HZ3 TRP 45 3HZ TRP 45 -5.813 8.319 -6.786 332 HH2 TRP 45 HH TRP 45 -6.109 10.587 -7.649 333 H TRP 46 H TRP 46 -0.899 5.690 -4.176 334 HA TRP 46 HA TRP 46 1.490 3.992 -4.252 335 HB2 TRP 46 1HB TRP 46 0.246 5.146 -1.905 336 HB3 TRP 46 2HB TRP 46 0.173 3.397 -1.855 337 HD1 TRP 46 HD TRP 46 3.222 5.016 -3.536 338 HE1 TRP 46 1HE TRP 46 5.420 4.628 -2.129 339 HE3 TRP 46 3HE TRP 46 0.896 3.044 0.534 340 HZ2 TRP 46 2HZ TRP 46 5.929 3.563 0.470 341 HZ3 TRP 46 3HZ TRP 46 2.317 2.355 2.463 342 HH2 TRP 46 HH TRP 46 4.750 2.587 2.475 343 H GLU 47 H GLU 47 1.000 1.983 -5.060 344 HA GLU 47 HA GLU 47 -1.828 1.439 -5.419 345 HB2 GLU 47 1HB GLU 47 -0.930 1.158 -7.520 346 HB3 GLU 47 2HB GLU 47 0.668 0.774 -6.910 347 HG2 GLU 47 1HG GLU 47 -0.116 -1.498 -6.247 348 HG3 GLU 47 2HG GLU 47 -1.731 -1.118 -6.812 349 H GLY 48 H GLY 48 -2.825 0.002 -4.079 350 HA2 GLY 48 1HA GLY 48 -1.210 -2.201 -2.971 351 HA3 GLY 48 2HA GLY 48 -2.146 -1.172 -1.904 352 H THR 49 H THR 49 -3.337 -3.159 -1.294 353 HA THR 49 HA THR 49 -5.561 -3.593 -3.141 354 HB THR 49 HB THR 49 -3.513 -5.602 -2.208 355 HG1 THR 49 1HG THR 49 -3.670 -4.963 -4.436 356 HG21 THR 49 1HG2 THR 49 -6.511 -6.042 -2.329 357 HG22 THR 49 2HG2 THR 49 -5.424 -7.315 -2.933 358 HG23 THR 49 3HG2 THR 49 -5.317 -6.784 -1.238 359 H LEU 50 H LEU 50 -7.510 -3.593 -2.167 360 HA LEU 50 HA LEU 50 -7.440 -3.611 0.769 361 HB2 LEU 50 1HB LEU 50 -8.060 -1.465 -0.118 362 HB3 LEU 50 2HB LEU 50 -9.264 -2.185 -1.167 363 HG LEU 50 HG LEU 50 -10.558 -2.898 0.828 364 HD11 LEU 50 1HD1 LEU 50 -10.004 -2.296 3.026 365 HD12 LEU 50 2HD1 LEU 50 -8.489 -2.921 2.330 366 HD13 LEU 50 3HD1 LEU 50 -8.736 -1.166 2.495 367 HD21 LEU 50 1HD2 LEU 50 -10.738 -0.243 1.593 368 HD22 LEU 50 2HD2 LEU 50 -10.099 -0.160 -0.066 369 HD23 LEU 50 3HD2 LEU 50 -11.620 -1.024 0.259 370 H ASN 51 H ASN 51 -9.600 -4.398 1.752 371 HA ASN 51 HA ASN 51 -9.916 -6.988 1.327 372 HB2 ASN 51 1HB ASN 51 -11.913 -4.862 2.188 373 HB3 ASN 51 2HB ASN 51 -12.428 -6.534 2.088 374 HD21 ASN 51 1HD2 ASN 51 -10.630 -4.175 3.805 375 HD22 ASN 51 2HD2 ASN 51 -10.087 -5.151 5.131 376 H GLY 52 H GLY 52 -9.959 -7.679 -0.893 377 HA2 GLY 52 1HA GLY 52 -10.871 -8.198 -2.879 378 HA3 GLY 52 2HA GLY 52 -12.437 -7.862 -2.170 379 H ARG 53 H ARG 53 -9.696 -5.543 -2.543 380 HA ARG 53 HA ARG 53 -11.256 -4.216 -4.595 381 HB2 ARG 53 1HB ARG 53 -10.746 -3.241 -1.894 382 HB3 ARG 53 2HB ARG 53 -9.966 -2.177 -3.047 383 HG2 ARG 53 1HG ARG 53 -12.730 -3.008 -3.797 384 HG3 ARG 53 2HG ARG 53 -12.630 -2.031 -2.346 385 HD2 ARG 53 1HD ARG 53 -11.897 -0.149 -3.487 386 HD3 ARG 53 2HD ARG 53 -10.982 -1.076 -4.658 387 HE ARG 53 HE ARG 53 -12.845 -1.054 -6.058 388 HH11 ARG 53 2HH2 ARG 53 -13.920 -0.506 -2.753 389 HH12 ARG 53 1HH2 ARG 53 -15.572 -0.233 -3.200 390 HH21 ARG 53 2HH1 ARG 53 -15.023 -0.694 -6.649 391 HH22 ARG 53 1HH1 ARG 53 -16.203 -0.341 -5.431 392 H THR 54 H THR 54 -9.787 -2.311 -5.577 393 HA THR 54 HA THR 54 -6.961 -2.728 -5.358 394 HB THR 54 HB THR 54 -7.866 -4.656 -6.837 395 HG1 THR 54 1HG THR 54 -6.174 -2.640 -8.124 396 HG21 THR 54 1HG2 THR 54 -8.217 -2.274 -8.734 397 HG22 THR 54 2HG2 THR 54 -8.205 -3.982 -9.237 398 HG23 THR 54 3HG2 THR 54 -9.510 -3.371 -8.193 399 H GLY 55 H GLY 55 -5.745 -1.237 -6.847 400 HA2 GLY 55 1HA GLY 55 -6.227 0.641 -8.451 401 HA3 GLY 55 2HA GLY 55 -7.372 1.199 -7.247 402 H TRP 56 H TRP 56 -5.826 3.169 -7.509 403 HA TRP 56 HA TRP 56 -3.485 2.811 -5.774 404 HB2 TRP 56 1HB TRP 56 -4.102 4.895 -7.874 405 HB3 TRP 56 2HB TRP 56 -2.735 4.971 -6.781 406 HD1 TRP 56 HD TRP 56 -4.072 2.144 -9.154 407 HE1 TRP 56 1HE TRP 56 -2.081 1.086 -10.527 408 HE3 TRP 56 3HE TRP 56 -0.435 5.076 -7.146 409 HZ2 TRP 56 2HZ TRP 56 0.727 1.583 -10.617 410 HZ3 TRP 56 3HZ TRP 56 1.905 4.726 -7.931 411 HH2 TRP 56 HH TRP 56 2.512 3.051 -9.605 412 H PHE 57 H PHE 57 -3.046 5.044 -4.532 413 HA PHE 57 HA PHE 57 -5.227 6.660 -3.890 414 HB2 PHE 57 1HB PHE 57 -5.669 5.711 -1.598 415 HB3 PHE 57 2HB PHE 57 -6.050 4.534 -2.839 416 HD1 PHE 57 2HD PHE 57 -3.392 5.527 -0.443 417 HD2 PHE 57 1HD PHE 57 -5.032 2.425 -2.829 418 HE1 PHE 57 2HE PHE 57 -1.858 3.873 0.655 419 HE2 PHE 57 1HE PHE 57 -3.496 0.769 -1.730 420 HZ PHE 57 HZ PHE 57 -1.928 1.514 -0.001 421 HA PRO 58 HA PRO 58 -1.974 8.783 -1.978 422 HB2 PRO 58 1HB PRO 58 -3.269 10.448 -0.239 423 HB3 PRO 58 2HB PRO 58 -3.150 10.763 -1.960 424 HG2 PRO 58 1HG PRO 58 -5.476 9.805 -0.408 425 HG3 PRO 58 2HG PRO 58 -5.443 10.522 -2.006 426 HD2 PRO 58 1HD PRO 58 -5.764 7.741 -1.379 427 HD3 PRO 58 2HD PRO 58 -5.615 8.444 -2.977 428 H SER 59 H SER 59 -0.373 8.229 -0.643 429 HA SER 59 HA SER 59 -1.219 6.627 1.590 430 HB2 SER 59 1HB SER 59 1.047 5.895 1.725 431 HB3 SER 59 2HB SER 59 0.708 6.025 0.010 432 HG SER 59 HG SER 59 2.433 7.287 -0.060 433 H ASN 60 H ASN 60 0.016 9.853 0.831 434 HA ASN 60 HA ASN 60 1.284 10.658 3.003 435 HB2 ASN 60 1HB ASN 60 -0.938 12.082 1.463 436 HB3 ASN 60 2HB ASN 60 0.007 12.906 2.687 437 HD21 ASN 60 1HD2 ASN 60 -0.050 13.728 0.063 438 HD22 ASN 60 2HD2 ASN 60 1.498 13.502 -0.680 439 H TYR 61 H TYR 61 -2.194 9.886 2.675 440 HA TYR 61 HA TYR 61 -2.729 10.816 5.387 441 HB2 TYR 61 1HB TYR 61 -4.661 9.391 3.511 442 HB3 TYR 61 2HB TYR 61 -5.009 10.702 4.620 443 HD1 TYR 61 2HD TYR 61 -2.565 12.426 3.612 444 HD2 TYR 61 1HD TYR 61 -5.809 10.444 1.648 445 HE1 TYR 61 2HE TYR 61 -2.425 14.085 1.690 446 HE2 TYR 61 1HE TYR 61 -5.658 12.110 -0.267 447 HH TYR 61 HH TYR 61 -3.978 13.562 -1.258 448 H VAL 62 H VAL 62 -3.292 7.842 3.364 449 HA VAL 62 HA VAL 62 -4.152 6.157 5.284 450 HB VAL 62 HB VAL 62 -3.106 6.005 2.673 451 HG11 VAL 62 1HG1 VAL 62 -1.805 4.000 4.544 452 HG12 VAL 62 2HG1 VAL 62 -1.889 3.819 2.776 453 HG13 VAL 62 3HG1 VAL 62 -0.993 5.182 3.490 454 HG21 VAL 62 1HG2 VAL 62 -5.271 5.136 3.434 455 HG22 VAL 62 2HG2 VAL 62 -4.328 3.874 2.606 456 HG23 VAL 62 3HG2 VAL 62 -4.442 3.878 4.382 457 H ARG 63 H ARG 63 -3.419 5.633 7.271 458 HA ARG 63 HA ARG 63 -0.699 6.193 7.889 459 HB2 ARG 63 1HB ARG 63 -2.864 6.463 9.391 460 HB3 ARG 63 2HB ARG 63 -2.640 4.760 9.740 461 HG2 ARG 63 1HG ARG 63 -1.463 5.912 11.477 462 HG3 ARG 63 2HG ARG 63 -0.217 5.327 10.392 463 HD2 ARG 63 1HD ARG 63 -0.191 7.586 9.257 464 HD3 ARG 63 2HD ARG 63 -1.370 8.159 10.419 465 HE ARG 63 HE ARG 63 0.778 7.039 11.903 466 HH11 ARG 63 2HH2 ARG 63 0.208 9.743 9.723 467 HH12 ARG 63 1HH2 ARG 63 1.442 10.734 10.426 468 HH21 ARG 63 2HH1 ARG 63 2.406 8.347 12.830 469 HH22 ARG 63 1HH1 ARG 63 2.701 9.935 12.204 470 H GLU 64 H GLU 64 0.910 4.635 8.536 471 HA GLU 64 HA GLU 64 0.398 2.024 7.431 472 HB2 GLU 64 1HB GLU 64 2.462 2.997 6.712 473 HB3 GLU 64 2HB GLU 64 2.899 3.488 8.337 474 HG2 GLU 64 1HG GLU 64 3.163 1.119 9.018 475 HG3 GLU 64 2HG GLU 64 2.626 0.580 7.439 476 H ILE 65 H ILE 65 0.911 0.026 8.630 477 HA ILE 65 HA ILE 65 0.541 0.420 11.516 478 HB ILE 65 HB ILE 65 -0.318 -1.856 9.726 479 HG12 ILE 65 1HG1 ILE 65 -1.690 0.144 9.448 480 HG13 ILE 65 2HG1 ILE 65 -2.589 -1.136 10.240 481 HG21 ILE 65 1HG2 ILE 65 -1.572 -2.186 12.159 482 HG22 ILE 65 2HG2 ILE 65 -0.171 -3.109 11.567 483 HG23 ILE 65 3HG2 ILE 65 0.075 -1.696 12.621 484 HD11 ILE 65 1HD1 ILE 65 -1.354 1.331 11.529 485 HD12 ILE 65 2HD1 ILE 65 -3.074 0.876 11.463 486 HD13 ILE 65 3HD1 ILE 65 -1.946 -0.052 12.480 487 H LYS 66 H LYS 66 2.022 -1.811 9.060 488 HA LYS 66 HA LYS 66 3.611 -3.240 10.750 489 HB2 LYS 66 1HB LYS 66 4.061 -2.346 7.893 490 HB3 LYS 66 2HB LYS 66 5.126 -3.468 8.717 491 HG2 LYS 66 1HG LYS 66 2.331 -4.248 9.103 492 HG3 LYS 66 2HG LYS 66 2.683 -4.073 7.395 493 HD2 LYS 66 1HD LYS 66 3.315 -6.303 7.778 494 HD3 LYS 66 2HD LYS 66 4.851 -5.474 7.932 495 HE2 LYS 66 1HE LYS 66 4.550 -5.392 10.422 496 HE3 LYS 66 2HE LYS 66 3.025 -6.239 10.261 497 HZ1 LYS 66 1HZ LYS 66 4.255 -8.053 10.414 498 HZ2 LYS 66 2HZ LYS 66 4.752 -7.777 8.882 499 HZ3 LYS 66 3HZ LYS 66 5.663 -7.272 10.140 500 H SER 67 H SER 67 5.388 -2.872 11.994 501 HA SER 67 HA SER 67 6.366 -0.155 11.966 502 HB2 SER 67 1HB SER 67 5.742 -1.903 14.023 503 HB3 SER 67 2HB SER 67 7.485 -2.063 13.949 504 HG SER 67 HG SER 67 6.773 -0.337 15.387 505 H SER 68 H SER 68 7.129 -3.248 10.688 506 HA SER 68 HA SER 68 9.972 -2.727 10.737 507 HB2 SER 68 1HB SER 68 8.234 -5.106 10.340 508 HB3 SER 68 2HB SER 68 9.643 -5.065 9.298 509 HG SER 68 HG SER 68 10.863 -4.557 11.393 510 H GLU 69 H GLU 69 7.238 -2.004 8.857 511 HA GLU 69 HA GLU 69 8.615 -2.242 6.340 512 HB2 GLU 69 1HB GLU 69 5.802 -1.486 7.172 513 HB3 GLU 69 2HB GLU 69 6.360 -1.139 5.547 514 HG2 GLU 69 1HG GLU 69 6.406 -3.898 6.861 515 HG3 GLU 69 2HG GLU 69 5.203 -3.356 5.708 516 H ARG 70 H ARG 70 7.583 0.213 8.726 517 HA ARG 70 HA ARG 70 8.020 2.413 7.089 518 HB2 ARG 70 1HB ARG 70 7.278 1.889 9.825 519 HB3 ARG 70 2HB ARG 70 8.587 3.053 9.862 520 HG2 ARG 70 1HG ARG 70 7.287 4.373 8.058 521 HG3 ARG 70 2HG ARG 70 5.935 3.306 8.380 522 HD2 ARG 70 1HD ARG 70 5.407 4.397 10.313 523 HD3 ARG 70 2HD ARG 70 7.063 4.349 10.884 524 HE ARG 70 HE ARG 70 6.987 6.276 8.811 525 HH11 ARG 70 2HH2 ARG 70 5.573 5.818 12.000 526 HH12 ARG 70 1HH2 ARG 70 5.441 7.514 12.326 527 HH21 ARG 70 2HH1 ARG 70 6.813 8.514 9.240 528 HH22 ARG 70 1HH1 ARG 70 6.151 9.057 10.745 529 H SER 71 H SER 71 10.152 0.281 8.930 530 HA SER 71 HA SER 71 12.349 2.126 8.407 531 HB2 SER 71 1HB SER 71 11.679 0.360 10.688 532 HB3 SER 71 2HB SER 71 13.343 0.202 10.158 533 HG SER 71 HG SER 71 13.680 1.972 11.313 534 H GLY 72 H GLY 72 10.872 -0.144 6.775 535 HA2 GLY 72 1HA GLY 72 12.855 -2.186 6.432 536 HA3 GLY 72 2HA GLY 72 11.410 -1.920 5.476 537 HA PRO 73 HA PRO 73 13.936 -0.226 2.383 538 HB2 PRO 73 1HB PRO 73 12.103 1.146 0.891 539 HB3 PRO 73 2HB PRO 73 12.333 -0.587 0.771 540 HG2 PRO 73 1HG PRO 73 10.142 0.908 2.077 541 HG3 PRO 73 2HG PRO 73 10.180 -0.771 1.579 542 HD2 PRO 73 1HD PRO 73 10.456 0.230 4.251 543 HD3 PRO 73 2HD PRO 73 10.609 -1.437 3.737 544 H SER 74 H SER 74 15.200 1.522 1.745 545 HA SER 74 HA SER 74 14.342 4.093 2.540 546 HB2 SER 74 1HB SER 74 15.970 2.522 4.397 547 HB3 SER 74 2HB SER 74 16.823 3.971 3.902 548 HG SER 74 HG SER 74 15.626 4.797 5.517 549 H SER 75 H SER 75 16.174 5.758 2.045 550 HA SER 75 HA SER 75 18.298 4.761 0.442 551 HB2 SER 75 1HB SER 75 16.092 4.909 -1.020 552 HB3 SER 75 2HB SER 75 16.410 6.632 -1.006 553 HG SER 75 HG SER 75 17.655 6.138 -2.693 554 H GLY 76 H GLY 76 16.220 7.705 0.990 555 HA2 GLY 76 1HA GLY 76 17.410 9.277 2.604 556 HA3 GLY 76 2HA GLY 76 18.688 9.268 1.405 Start of MODEL 9 1 H1 GLY 1 H GLY 1 3.260 -14.544 -7.104 2 HA2 GLY 1 1HA GLY 1 5.125 -14.934 -5.469 3 HA3 GLY 1 2HA GLY 1 3.872 -14.981 -4.244 4 H SER 2 H SER 2 5.767 -17.130 -5.053 5 HA SER 2 HA SER 2 3.986 -19.004 -6.346 6 HB2 SER 2 1HB SER 2 6.380 -18.794 -7.086 7 HB3 SER 2 2HB SER 2 6.899 -19.330 -5.500 8 HG SER 2 HG SER 2 5.200 -21.201 -6.193 9 H SER 3 H SER 3 6.163 -18.848 -3.427 10 HA SER 3 HA SER 3 4.232 -20.601 -2.123 11 HB2 SER 3 1HB SER 3 6.933 -21.150 -2.652 12 HB3 SER 3 2HB SER 3 6.943 -20.649 -0.974 13 HG SER 3 HG SER 3 6.006 -22.490 -0.412 14 H GLY 4 H GLY 4 6.966 -18.282 -1.461 15 HA2 GLY 4 1HA GLY 4 5.250 -17.001 0.571 16 HA3 GLY 4 2HA GLY 4 6.900 -17.462 0.941 17 H SER 5 H SER 5 8.687 -16.333 -0.030 18 HA SER 5 HA SER 5 7.951 -13.677 -0.802 19 HB2 SER 5 1HB SER 5 10.058 -14.768 0.639 20 HB3 SER 5 2HB SER 5 10.819 -14.430 -0.903 21 HG SER 5 HG SER 5 10.318 -12.689 1.052 22 H SER 6 H SER 6 8.974 -12.618 -2.756 23 HA SER 6 HA SER 6 9.916 -14.405 -4.776 24 HB2 SER 6 1HB SER 6 7.179 -14.055 -4.685 25 HB3 SER 6 2HB SER 6 7.644 -12.766 -5.778 26 HG SER 6 HG SER 6 8.445 -15.536 -6.073 27 H GLY 7 H GLY 7 8.420 -11.118 -4.281 28 HA2 GLY 7 1HA GLY 7 10.903 -9.796 -4.830 29 HA3 GLY 7 2HA GLY 7 9.781 -9.691 -6.172 30 H SER 8 H SER 8 7.578 -8.784 -5.768 31 HA SER 8 HA SER 8 7.725 -6.410 -4.421 32 HB2 SER 8 1HB SER 8 5.261 -6.299 -4.742 33 HB3 SER 8 2HB SER 8 6.086 -6.839 -6.190 34 HG SER 8 HG SER 8 4.326 -8.222 -5.889 35 H HIS 9 H HIS 9 6.623 -5.650 -2.441 36 HA HIS 9 HA HIS 9 6.310 -7.831 -0.510 37 HB2 HIS 9 1HB HIS 9 7.021 -6.214 1.208 38 HB3 HIS 9 2HB HIS 9 8.258 -6.520 0.005 39 HD1 HIS 9 1HD HIS 9 9.338 -4.487 -0.975 40 HD2 HIS 9 2HD HIS 9 5.542 -3.658 0.606 41 HE1 HIS 9 1HE HIS 9 9.014 -1.965 -1.179 42 H GLN 10 H GLN 10 4.900 -6.950 1.483 43 HA GLN 10 HA GLN 10 2.629 -5.563 0.288 44 HB2 GLN 10 1HB GLN 10 2.559 -8.194 0.929 45 HB3 GLN 10 2HB GLN 10 2.154 -7.534 2.501 46 HG2 GLN 10 1HG GLN 10 0.178 -6.486 1.704 47 HG3 GLN 10 2HG GLN 10 0.720 -6.504 0.037 48 HE21 GLN 10 1HE2 GLN 10 1.013 -8.628 -0.988 49 HE22 GLN 10 2HE2 GLN 10 -0.094 -9.907 -0.616 50 H LEU 11 H LEU 11 2.225 -3.639 1.282 51 HA LEU 11 HA LEU 11 3.248 -3.323 4.009 52 HB2 LEU 11 1HB LEU 11 3.634 -1.805 1.750 53 HB3 LEU 11 2HB LEU 11 2.348 -0.938 2.564 54 HG LEU 11 HG LEU 11 5.024 -1.665 3.788 55 HD11 LEU 11 1HD1 LEU 11 5.048 1.009 3.754 56 HD12 LEU 11 2HD1 LEU 11 5.675 0.019 2.416 57 HD13 LEU 11 3HD1 LEU 11 4.044 0.725 2.312 58 HD21 LEU 11 1HD2 LEU 11 3.211 -1.592 5.446 59 HD22 LEU 11 2HD2 LEU 11 4.370 -0.259 5.663 60 HD23 LEU 11 3HD2 LEU 11 2.790 0.051 4.906 61 H ILE 12 H ILE 12 1.831 -3.339 5.667 62 HA ILE 12 HA ILE 12 -0.994 -3.200 4.999 63 HB ILE 12 HB ILE 12 0.560 -4.096 7.416 64 HG12 ILE 12 1HG1 ILE 12 -1.314 -6.015 6.525 65 HG13 ILE 12 2HG1 ILE 12 -0.553 -5.383 5.079 66 HG21 ILE 12 1HG2 ILE 12 -2.442 -3.774 7.162 67 HG22 ILE 12 2HG2 ILE 12 -1.607 -4.653 8.466 68 HG23 ILE 12 3HG2 ILE 12 -1.359 -2.901 8.274 69 HD11 ILE 12 1HD1 ILE 12 1.675 -5.883 5.938 70 HD12 ILE 12 2HD1 ILE 12 1.007 -6.320 7.530 71 HD13 ILE 12 3HD1 ILE 12 0.669 -7.342 6.112 72 H VAL 13 H VAL 13 -1.800 -1.169 4.833 73 HA VAL 13 HA VAL 13 -1.128 0.659 7.028 74 HB VAL 13 HB VAL 13 -1.038 2.496 5.498 75 HG11 VAL 13 1HG1 VAL 13 1.108 2.131 4.938 76 HG12 VAL 13 2HG1 VAL 13 0.881 0.525 5.672 77 HG13 VAL 13 3HG1 VAL 13 0.702 0.734 3.912 78 HG21 VAL 13 1HG2 VAL 13 -2.677 1.908 3.858 79 HG22 VAL 13 2HG2 VAL 13 -1.124 2.090 3.009 80 HG23 VAL 13 3HG2 VAL 13 -1.759 0.466 3.364 81 H LYS 14 H LYS 14 -2.859 1.892 7.832 82 HA LYS 14 HA LYS 14 -5.464 0.937 6.916 83 HB2 LYS 14 1HB LYS 14 -4.688 0.725 9.341 84 HB3 LYS 14 2HB LYS 14 -4.847 2.466 9.454 85 HG2 LYS 14 1HG LYS 14 -6.984 1.844 10.128 86 HG3 LYS 14 2HG LYS 14 -7.264 2.006 8.405 87 HD2 LYS 14 1HD LYS 14 -8.189 -0.106 8.808 88 HD3 LYS 14 2HD LYS 14 -6.569 -0.545 8.304 89 HE2 LYS 14 1HE LYS 14 -5.841 -0.867 10.597 90 HE3 LYS 14 2HE LYS 14 -7.290 -0.116 11.235 91 HZ1 LYS 14 1HZ LYS 14 -7.792 -2.336 9.506 92 HZ2 LYS 14 2HZ LYS 14 -6.984 -2.731 10.869 93 HZ3 LYS 14 3HZ LYS 14 -8.434 -1.987 10.965 94 H ALA 15 H ALA 15 -7.093 2.340 6.213 95 HA ALA 15 HA ALA 15 -6.172 4.724 5.001 96 HB1 ALA 15 1HB ALA 15 -7.897 3.531 3.898 97 HB2 ALA 15 2HB ALA 15 -8.868 3.393 5.382 98 HB3 ALA 15 3HB ALA 15 -8.706 4.967 4.568 99 H ARG 16 H ARG 16 -6.993 6.923 5.417 100 HA ARG 16 HA ARG 16 -6.973 7.400 8.222 101 HB2 ARG 16 1HB ARG 16 -5.766 8.830 6.487 102 HB3 ARG 16 2HB ARG 16 -7.327 9.395 5.930 103 HG2 ARG 16 1HG ARG 16 -7.408 10.934 7.591 104 HG3 ARG 16 2HG ARG 16 -7.260 9.678 8.804 105 HD2 ARG 16 1HD ARG 16 -4.751 10.472 7.335 106 HD3 ARG 16 2HD ARG 16 -5.391 11.611 8.501 107 HE ARG 16 HE ARG 16 -5.206 8.846 9.493 108 HH11 ARG 16 2HH2 ARG 16 -3.578 11.952 9.188 109 HH12 ARG 16 1HH2 ARG 16 -2.489 11.655 10.501 110 HH21 ARG 16 2HH1 ARG 16 -3.769 8.454 11.227 111 HH22 ARG 16 1HH1 ARG 16 -2.598 9.652 11.669 112 H PHE 17 H PHE 17 -9.158 8.371 5.465 113 HA PHE 17 HA PHE 17 -11.443 7.896 7.178 114 HB2 PHE 17 1HB PHE 17 -12.287 10.203 6.759 115 HB3 PHE 17 2HB PHE 17 -10.706 10.304 7.510 116 HD1 PHE 17 2HD PHE 17 -8.719 10.884 6.128 117 HD2 PHE 17 1HD PHE 17 -12.655 11.026 4.552 118 HE1 PHE 17 2HE PHE 17 -7.907 12.312 4.230 119 HE2 PHE 17 1HE PHE 17 -11.845 12.454 2.654 120 HZ PHE 17 HZ PHE 17 -9.480 13.080 2.516 121 H ASN 18 H ASN 18 -13.438 9.006 5.580 122 HA ASN 18 HA ASN 18 -13.686 7.095 3.631 123 HB2 ASN 18 1HB ASN 18 -15.029 9.847 3.621 124 HB3 ASN 18 2HB ASN 18 -15.653 8.383 2.887 125 HD21 ASN 18 1HD2 ASN 18 -16.726 10.181 4.971 126 HD22 ASN 18 2HD2 ASN 18 -17.105 9.190 6.340 127 H PHE 19 H PHE 19 -12.366 6.943 1.805 128 HA PHE 19 HA PHE 19 -11.494 9.457 0.580 129 HB2 PHE 19 1HB PHE 19 -9.697 7.917 1.307 130 HB3 PHE 19 2HB PHE 19 -10.513 6.545 0.582 131 HD1 PHE 19 1HD PHE 19 -9.167 9.875 -0.460 132 HD2 PHE 19 2HD PHE 19 -9.690 5.776 -1.423 133 HE1 PHE 19 1HE PHE 19 -7.846 10.203 -2.568 134 HE2 PHE 19 2HE PHE 19 -8.369 6.103 -3.533 135 HZ PHE 19 HZ PHE 19 -7.462 8.313 -4.080 136 H LYS 20 H LYS 20 -12.046 9.956 -1.524 137 HA LYS 20 HA LYS 20 -13.789 8.005 -2.844 138 HB2 LYS 20 1HB LYS 20 -14.721 10.258 -2.212 139 HB3 LYS 20 2HB LYS 20 -13.593 10.989 -3.337 140 HG2 LYS 20 1HG LYS 20 -14.939 10.496 -5.093 141 HG3 LYS 20 2HG LYS 20 -14.932 8.794 -4.676 142 HD2 LYS 20 1HD LYS 20 -16.786 9.120 -3.087 143 HD3 LYS 20 2HD LYS 20 -16.732 10.856 -3.321 144 HE2 LYS 20 1HE LYS 20 -17.783 10.758 -5.387 145 HE3 LYS 20 2HE LYS 20 -17.053 9.223 -5.812 146 HZ1 LYS 20 1HZ LYS 20 -18.921 9.203 -3.611 147 HZ2 LYS 20 2HZ LYS 20 -19.549 9.436 -5.100 148 HZ3 LYS 20 3HZ LYS 20 -18.680 8.090 -4.782 149 H GLN 21 H GLN 21 -13.139 7.032 -4.699 150 HA GLN 21 HA GLN 21 -10.505 7.623 -5.595 151 HB2 GLN 21 1HB GLN 21 -10.690 5.634 -6.899 152 HB3 GLN 21 2HB GLN 21 -11.563 5.297 -5.418 153 HG2 GLN 21 1HG GLN 21 -13.690 6.103 -6.688 154 HG3 GLN 21 2HG GLN 21 -12.722 5.995 -8.145 155 HE21 GLN 21 1HE2 GLN 21 -11.313 3.870 -8.133 156 HE22 GLN 21 2HE2 GLN 21 -12.201 2.406 -7.869 157 H THR 22 H THR 22 -9.877 8.449 -7.657 158 HA THR 22 HA THR 22 -11.724 10.316 -8.771 159 HB THR 22 HB THR 22 -9.728 10.730 -10.302 160 HG1 THR 22 1HG THR 22 -8.631 8.781 -10.401 161 HG21 THR 22 1HG2 THR 22 -9.201 10.475 -7.298 162 HG22 THR 22 2HG2 THR 22 -8.048 11.223 -8.429 163 HG23 THR 22 3HG2 THR 22 -9.655 11.950 -8.184 164 H ASN 23 H ASN 23 -11.166 6.952 -9.243 165 HA ASN 23 HA ASN 23 -13.150 6.844 -11.181 166 HB2 ASN 23 1HB ASN 23 -10.293 6.868 -12.145 167 HB3 ASN 23 2HB ASN 23 -11.358 5.688 -12.884 168 HD21 ASN 23 1HD2 ASN 23 -13.515 6.527 -13.599 169 HD22 ASN 23 2HD2 ASN 23 -13.567 8.067 -14.391 170 H GLU 24 H GLU 24 -13.447 4.474 -11.907 171 HA GLU 24 HA GLU 24 -13.116 2.780 -9.772 172 HB2 GLU 24 1HB GLU 24 -13.860 0.996 -11.337 173 HB3 GLU 24 2HB GLU 24 -14.835 2.443 -11.485 174 HG2 GLU 24 1HG GLU 24 -13.027 3.072 -13.366 175 HG3 GLU 24 2HG GLU 24 -12.775 1.338 -13.397 176 H ASP 25 H ASP 25 -10.823 3.812 -12.138 177 HA ASP 25 HA ASP 25 -9.304 1.467 -12.286 178 HB2 ASP 25 1HB ASP 25 -8.723 4.412 -12.780 179 HB3 ASP 25 2HB ASP 25 -7.457 3.210 -12.943 180 H GLU 26 H GLU 26 -9.398 4.362 -10.154 181 HA GLU 26 HA GLU 26 -6.996 3.606 -8.813 182 HB2 GLU 26 1HB GLU 26 -8.403 5.990 -9.152 183 HB3 GLU 26 2HB GLU 26 -8.726 5.593 -7.475 184 HG2 GLU 26 1HG GLU 26 -6.684 6.455 -6.979 185 HG3 GLU 26 2HG GLU 26 -5.985 5.044 -7.748 186 H LEU 27 H LEU 27 -7.322 3.848 -6.156 187 HA LEU 27 HA LEU 27 -9.114 1.632 -5.553 188 HB2 LEU 27 1HB LEU 27 -6.544 1.959 -4.941 189 HB3 LEU 27 2HB LEU 27 -7.230 2.790 -3.560 190 HG LEU 27 HG LEU 27 -8.440 0.154 -4.120 191 HD11 LEU 27 1HD1 LEU 27 -5.925 -0.048 -4.689 192 HD12 LEU 27 2HD1 LEU 27 -5.673 0.120 -2.935 193 HD13 LEU 27 3HD1 LEU 27 -6.652 -1.225 -3.569 194 HD21 LEU 27 1HD2 LEU 27 -8.381 -0.063 -1.733 195 HD22 LEU 27 2HD2 LEU 27 -7.257 1.309 -1.583 196 HD23 LEU 27 3HD2 LEU 27 -8.927 1.583 -2.134 197 H SER 28 H SER 28 -10.345 1.750 -3.433 198 HA SER 28 HA SER 28 -11.053 4.474 -2.761 199 HB2 SER 28 1HB SER 28 -12.835 4.181 -4.219 200 HB3 SER 28 2HB SER 28 -12.854 2.440 -4.029 201 HG SER 28 HG SER 28 -13.986 2.613 -2.101 202 H VAL 29 H VAL 29 -11.197 4.693 -0.545 203 HA VAL 29 HA VAL 29 -11.745 2.254 0.990 204 HB VAL 29 HB VAL 29 -9.305 2.855 0.880 205 HG11 VAL 29 1HG1 VAL 29 -8.745 4.767 2.583 206 HG12 VAL 29 2HG1 VAL 29 -9.138 5.168 0.894 207 HG13 VAL 29 3HG1 VAL 29 -10.371 5.360 2.163 208 HG21 VAL 29 1HG2 VAL 29 -10.168 3.159 3.732 209 HG22 VAL 29 2HG2 VAL 29 -10.678 1.705 2.843 210 HG23 VAL 29 3HG2 VAL 29 -8.947 2.082 3.013 211 H CYS 30 H CYS 30 -12.667 2.691 3.154 212 HA CYS 30 HA CYS 30 -14.142 5.220 3.098 213 HB2 CYS 30 1HB CYS 30 -15.214 2.719 3.097 214 HB3 CYS 30 2HB CYS 30 -15.130 3.016 4.822 215 HG CYS 30 HG CYS 30 -16.169 5.315 2.702 216 H LYS 31 H LYS 31 -13.369 2.728 5.630 217 HA LYS 31 HA LYS 31 -11.544 4.438 6.974 218 HB2 LYS 31 1HB LYS 31 -13.960 5.360 7.442 219 HB3 LYS 31 2HB LYS 31 -14.071 3.999 8.540 220 HG2 LYS 31 1HG LYS 31 -12.510 4.867 10.007 221 HG3 LYS 31 2HG LYS 31 -11.535 5.567 8.729 222 HD2 LYS 31 1HD LYS 31 -12.471 7.594 9.107 223 HD3 LYS 31 2HD LYS 31 -14.052 6.952 8.708 224 HE2 LYS 31 1HE LYS 31 -13.176 6.122 11.400 225 HE3 LYS 31 2HE LYS 31 -13.220 7.867 11.235 226 HZ1 LYS 31 1HZ LYS 31 -15.491 7.045 10.035 227 HZ2 LYS 31 2HZ LYS 31 -15.371 6.026 11.305 228 HZ3 LYS 31 3HZ LYS 31 -15.381 7.641 11.551 229 H GLY 32 H GLY 32 -10.557 3.347 8.819 230 HA2 GLY 32 1HA GLY 32 -9.554 1.452 9.563 231 HA3 GLY 32 2HA GLY 32 -11.193 1.049 10.036 232 H ASP 33 H ASP 33 -9.161 1.075 7.013 233 HA ASP 33 HA ASP 33 -10.058 -1.650 6.587 234 HB2 ASP 33 1HB ASP 33 -10.623 0.710 4.908 235 HB3 ASP 33 2HB ASP 33 -9.813 -0.554 4.005 236 H ILE 34 H ILE 34 -7.901 -2.358 7.179 237 HA ILE 34 HA ILE 34 -5.544 -1.177 6.401 238 HB ILE 34 HB ILE 34 -6.429 -3.771 7.439 239 HG12 ILE 34 1HG1 ILE 34 -5.639 -2.138 8.969 240 HG13 ILE 34 2HG1 ILE 34 -4.416 -3.390 8.892 241 HG21 ILE 34 1HG2 ILE 34 -4.181 -4.829 7.030 242 HG22 ILE 34 2HG2 ILE 34 -5.244 -4.719 5.607 243 HG23 ILE 34 3HG2 ILE 34 -3.893 -3.576 5.799 244 HD11 ILE 34 1HD1 ILE 34 -4.317 -0.566 7.878 245 HD12 ILE 34 2HD1 ILE 34 -3.044 -1.540 8.653 246 HD13 ILE 34 3HD1 ILE 34 -3.443 -1.800 6.937 247 H ILE 35 H ILE 35 -4.482 -0.928 4.505 248 HA ILE 35 HA ILE 35 -5.459 -2.552 2.260 249 HB ILE 35 HB ILE 35 -4.226 0.204 2.194 250 HG12 ILE 35 1HG1 ILE 35 -6.917 0.250 1.313 251 HG13 ILE 35 2HG1 ILE 35 -6.916 -0.628 2.830 252 HG21 ILE 35 1HG2 ILE 35 -3.891 -1.273 0.184 253 HG22 ILE 35 2HG2 ILE 35 -5.660 -1.286 -0.014 254 HG23 ILE 35 3HG2 ILE 35 -4.763 0.248 -0.122 255 HD11 ILE 35 1HD1 ILE 35 -5.224 1.840 2.756 256 HD12 ILE 35 2HD1 ILE 35 -6.985 2.084 2.694 257 HD13 ILE 35 3HD1 ILE 35 -6.256 1.207 4.061 258 H TYR 36 H TYR 36 -3.942 -3.537 0.871 259 HA TYR 36 HA TYR 36 -1.293 -3.785 2.087 260 HB2 TYR 36 1HB TYR 36 -2.853 -5.315 -0.089 261 HB3 TYR 36 2HB TYR 36 -1.287 -5.813 0.518 262 HD1 TYR 36 2HD TYR 36 -1.373 -5.744 3.343 263 HD2 TYR 36 1HD TYR 36 -4.564 -6.682 0.652 264 HE1 TYR 36 2HE TYR 36 -2.518 -7.102 5.162 265 HE2 TYR 36 1HE TYR 36 -5.698 -8.037 2.480 266 HH TYR 36 HH TYR 36 -4.105 -8.976 5.278 267 H VAL 37 H VAL 37 0.217 -2.401 1.294 268 HA VAL 37 HA VAL 37 -0.069 -1.387 -1.388 269 HB VAL 37 HB VAL 37 2.178 -0.935 0.575 270 HG11 VAL 37 1HG1 VAL 37 2.362 -0.204 -1.869 271 HG12 VAL 37 2HG1 VAL 37 1.075 0.970 -1.501 272 HG13 VAL 37 3HG1 VAL 37 2.626 1.048 -0.631 273 HG21 VAL 37 1HG2 VAL 37 0.826 0.186 1.947 274 HG22 VAL 37 2HG2 VAL 37 0.269 1.209 0.600 275 HG23 VAL 37 3HG2 VAL 37 -0.570 -0.318 0.964 276 H THR 38 H THR 38 0.696 -2.425 -3.149 277 HA THR 38 HA THR 38 2.878 -4.353 -2.716 278 HB THR 38 HB THR 38 0.863 -5.439 -3.523 279 HG1 THR 38 1HG THR 38 1.761 -6.098 -5.590 280 HG21 THR 38 1HG2 THR 38 -0.370 -3.451 -4.395 281 HG22 THR 38 2HG2 THR 38 0.837 -3.274 -5.692 282 HG23 THR 38 3HG2 THR 38 -0.226 -4.700 -5.655 283 H ARG 39 H ARG 39 1.675 -1.724 -4.871 284 HA ARG 39 HA ARG 39 3.933 -1.797 -6.496 285 HB2 ARG 39 1HB ARG 39 1.631 -0.695 -6.948 286 HB3 ARG 39 2HB ARG 39 2.180 0.648 -5.965 287 HG2 ARG 39 1HG ARG 39 2.728 1.301 -8.185 288 HG3 ARG 39 2HG ARG 39 4.252 0.752 -7.516 289 HD2 ARG 39 1HD ARG 39 2.703 -1.446 -8.750 290 HD3 ARG 39 2HD ARG 39 3.074 -0.168 -9.889 291 HE ARG 39 HE ARG 39 5.432 -0.761 -8.364 292 HH11 ARG 39 2HH2 ARG 39 3.396 -2.158 -10.871 293 HH12 ARG 39 1HH2 ARG 39 4.676 -3.093 -11.568 294 HH21 ARG 39 2HH1 ARG 39 7.121 -1.996 -9.284 295 HH22 ARG 39 1HH1 ARG 39 6.809 -3.000 -10.659 296 H VAL 40 H VAL 40 2.913 0.830 -4.179 297 HA VAL 40 HA VAL 40 4.071 2.075 -2.762 298 HB VAL 40 HB VAL 40 6.355 0.141 -3.198 299 HG11 VAL 40 1HG1 VAL 40 6.198 1.269 -0.552 300 HG12 VAL 40 2HG1 VAL 40 7.520 1.361 -1.740 301 HG13 VAL 40 3HG1 VAL 40 6.221 2.577 -1.759 302 HG21 VAL 40 1HG2 VAL 40 5.537 -1.169 -1.401 303 HG22 VAL 40 2HG2 VAL 40 4.325 0.057 -0.954 304 HG23 VAL 40 3HG2 VAL 40 4.136 -0.876 -2.459 305 H GLU 41 H GLU 41 3.808 3.638 -4.569 306 HA GLU 41 HA GLU 41 6.331 4.089 -5.949 307 HB2 GLU 41 1HB GLU 41 3.509 5.063 -6.573 308 HB3 GLU 41 2HB GLU 41 4.930 5.555 -7.471 309 HG2 GLU 41 1HG GLU 41 5.236 2.813 -7.500 310 HG3 GLU 41 2HG GLU 41 3.488 2.943 -7.485 311 H GLU 42 H GLU 42 7.628 5.682 -5.155 312 HA GLU 42 HA GLU 42 6.645 7.378 -3.128 313 HB2 GLU 42 1HB GLU 42 9.295 7.312 -4.635 314 HB3 GLU 42 2HB GLU 42 8.978 8.383 -3.283 315 HG2 GLU 42 1HG GLU 42 8.440 5.427 -2.941 316 HG3 GLU 42 2HG GLU 42 10.101 5.986 -2.903 317 H GLY 43 H GLY 43 6.194 7.445 -6.434 318 HA2 GLY 43 1HA GLY 43 6.771 10.035 -7.249 319 HA3 GLY 43 2HA GLY 43 5.492 9.016 -7.878 320 H GLY 44 H GLY 44 3.792 8.692 -5.663 321 HA2 GLY 44 1HA GLY 44 3.193 10.844 -4.088 322 HA3 GLY 44 2HA GLY 44 2.473 11.239 -5.636 323 H TRP 45 H TRP 45 1.935 8.437 -6.444 324 HA TRP 45 HA TRP 45 -0.382 8.014 -4.707 325 HB2 TRP 45 1HB TRP 45 0.211 7.131 -7.535 326 HB3 TRP 45 2HB TRP 45 -1.199 6.631 -6.622 327 HD1 TRP 45 HD TRP 45 0.362 9.950 -7.954 328 HE1 TRP 45 1HE TRP 45 -1.525 11.722 -8.465 329 HE3 TRP 45 3HE TRP 45 -3.490 7.133 -6.198 330 HZ2 TRP 45 2HZ TRP 45 -4.354 11.747 -8.086 331 HZ3 TRP 45 3HZ TRP 45 -5.783 8.105 -6.304 332 HH2 TRP 45 HH TRP 45 -6.246 10.330 -7.208 333 H TRP 46 H TRP 46 -0.915 5.728 -4.139 334 HA TRP 46 HA TRP 46 1.442 3.984 -4.180 335 HB2 TRP 46 1HB TRP 46 0.220 5.234 -1.869 336 HB3 TRP 46 2HB TRP 46 0.130 3.487 -1.759 337 HD1 TRP 46 HD TRP 46 3.181 5.099 -3.473 338 HE1 TRP 46 1HE TRP 46 5.384 4.707 -2.074 339 HE3 TRP 46 3HE TRP 46 0.871 3.096 0.590 340 HZ2 TRP 46 2HZ TRP 46 5.902 3.627 0.516 341 HZ3 TRP 46 3HZ TRP 46 2.298 2.399 2.511 342 HH2 TRP 46 HH TRP 46 4.731 2.637 2.518 343 H GLU 47 H GLU 47 0.877 2.087 -5.156 344 HA GLU 47 HA GLU 47 -1.953 1.522 -5.350 345 HB2 GLU 47 1HB GLU 47 -1.189 1.209 -7.484 346 HB3 GLU 47 2HB GLU 47 0.462 0.927 -6.967 347 HG2 GLU 47 1HG GLU 47 -0.113 -1.383 -6.276 348 HG3 GLU 47 2HG GLU 47 -1.797 -1.110 -6.675 349 H GLY 48 H GLY 48 -2.934 -0.057 -4.145 350 HA2 GLY 48 1HA GLY 48 -1.264 -2.215 -3.054 351 HA3 GLY 48 2HA GLY 48 -2.192 -1.217 -1.953 352 H THR 49 H THR 49 -3.367 -3.207 -1.348 353 HA THR 49 HA THR 49 -5.590 -3.668 -3.194 354 HB THR 49 HB THR 49 -3.523 -5.638 -2.234 355 HG1 THR 49 1HG THR 49 -5.464 -5.549 -4.428 356 HG21 THR 49 1HG2 THR 49 -5.224 -7.484 -2.662 357 HG22 THR 49 2HG2 THR 49 -5.512 -6.592 -1.148 358 HG23 THR 49 3HG2 THR 49 -6.503 -6.249 -2.588 359 H LEU 50 H LEU 50 -7.520 -3.523 -2.226 360 HA LEU 50 HA LEU 50 -7.477 -3.545 0.708 361 HB2 LEU 50 1HB LEU 50 -8.088 -1.413 -0.205 362 HB3 LEU 50 2HB LEU 50 -9.273 -2.142 -1.269 363 HG LEU 50 HG LEU 50 -10.598 -2.839 0.718 364 HD11 LEU 50 1HD1 LEU 50 -8.815 -1.060 2.378 365 HD12 LEU 50 2HD1 LEU 50 -10.087 -2.186 2.913 366 HD13 LEU 50 3HD1 LEU 50 -8.558 -2.817 2.256 367 HD21 LEU 50 1HD2 LEU 50 -9.995 0.105 0.364 368 HD22 LEU 50 2HD2 LEU 50 -11.279 -0.855 -0.408 369 HD23 LEU 50 3HD2 LEU 50 -11.347 -0.520 1.339 370 H ASN 51 H ASN 51 -9.656 -4.301 1.686 371 HA ASN 51 HA ASN 51 -9.970 -6.911 1.252 372 HB2 ASN 51 1HB ASN 51 -11.918 -4.783 2.216 373 HB3 ASN 51 2HB ASN 51 -12.446 -6.450 2.111 374 HD21 ASN 51 1HD2 ASN 51 -10.457 -4.144 3.734 375 HD22 ASN 51 2HD2 ASN 51 -9.914 -5.136 5.045 376 H GLY 52 H GLY 52 -10.072 -7.526 -0.998 377 HA2 GLY 52 1HA GLY 52 -11.117 -8.079 -2.912 378 HA3 GLY 52 2HA GLY 52 -12.635 -7.595 -2.183 379 H ARG 53 H ARG 53 -9.876 -5.348 -2.389 380 HA ARG 53 HA ARG 53 -11.194 -4.061 -4.632 381 HB2 ARG 53 1HB ARG 53 -10.939 -3.037 -1.898 382 HB3 ARG 53 2HB ARG 53 -10.110 -1.976 -3.017 383 HG2 ARG 53 1HG ARG 53 -12.837 -2.946 -3.834 384 HG3 ARG 53 2HG ARG 53 -12.769 -1.786 -2.522 385 HD2 ARG 53 1HD ARG 53 -11.238 -0.359 -4.057 386 HD3 ARG 53 2HD ARG 53 -11.704 -1.438 -5.357 387 HE ARG 53 HE ARG 53 -13.425 0.545 -4.017 388 HH11 ARG 53 2HH2 ARG 53 -13.293 -2.271 -6.124 389 HH12 ARG 53 1HH2 ARG 53 -14.848 -1.976 -6.827 390 HH21 ARG 53 2HH1 ARG 53 -15.476 0.934 -4.944 391 HH22 ARG 53 1HH1 ARG 53 -16.099 -0.141 -6.151 392 H THR 54 H THR 54 -9.661 -2.278 -5.600 393 HA THR 54 HA THR 54 -6.869 -2.568 -5.009 394 HB THR 54 HB THR 54 -7.839 -3.513 -7.747 395 HG1 THR 54 1HG THR 54 -7.157 -4.885 -5.242 396 HG21 THR 54 1HG2 THR 54 -5.535 -4.829 -7.278 397 HG22 THR 54 2HG2 THR 54 -5.524 -3.188 -7.968 398 HG23 THR 54 3HG2 THR 54 -5.227 -3.424 -6.229 399 H GLY 55 H GLY 55 -5.546 -1.263 -6.707 400 HA2 GLY 55 1HA GLY 55 -6.006 0.484 -8.460 401 HA3 GLY 55 2HA GLY 55 -7.135 1.158 -7.301 402 H TRP 56 H TRP 56 -5.812 3.148 -7.385 403 HA TRP 56 HA TRP 56 -3.370 2.869 -5.767 404 HB2 TRP 56 1HB TRP 56 -3.981 4.889 -7.932 405 HB3 TRP 56 2HB TRP 56 -2.568 4.913 -6.894 406 HD1 TRP 56 HD TRP 56 -4.151 2.181 -9.228 407 HE1 TRP 56 1HE TRP 56 -2.269 0.978 -10.632 408 HE3 TRP 56 3HE TRP 56 -0.269 4.809 -7.259 409 HZ2 TRP 56 2HZ TRP 56 0.568 1.254 -10.760 410 HZ3 TRP 56 3HZ TRP 56 2.026 4.280 -8.079 411 HH2 TRP 56 HH TRP 56 2.476 2.573 -9.767 412 H PHE 57 H PHE 57 -3.170 4.302 -3.992 413 HA PHE 57 HA PHE 57 -5.295 6.252 -3.631 414 HB2 PHE 57 1HB PHE 57 -5.734 5.305 -1.354 415 HB3 PHE 57 2HB PHE 57 -6.024 4.078 -2.571 416 HD1 PHE 57 2HD PHE 57 -3.786 2.671 -3.159 417 HD2 PHE 57 1HD PHE 57 -4.576 4.639 0.516 418 HE1 PHE 57 2HE PHE 57 -2.183 1.133 -1.992 419 HE2 PHE 57 1HE PHE 57 -2.973 3.101 1.684 420 HZ PHE 57 HZ PHE 57 -1.795 1.366 0.416 421 HA PRO 58 HA PRO 58 -2.111 8.478 -1.718 422 HB2 PRO 58 1HB PRO 58 -3.434 10.049 0.084 423 HB3 PRO 58 2HB PRO 58 -3.371 10.403 -1.631 424 HG2 PRO 58 1HG PRO 58 -5.615 9.312 -0.046 425 HG3 PRO 58 2HG PRO 58 -5.652 10.062 -1.630 426 HD2 PRO 58 1HD PRO 58 -5.837 7.259 -1.053 427 HD3 PRO 58 2HD PRO 58 -5.756 7.998 -2.639 428 H SER 59 H SER 59 -0.523 7.489 -0.647 429 HA SER 59 HA SER 59 -1.236 5.983 1.636 430 HB2 SER 59 1HB SER 59 1.243 5.590 1.799 431 HB3 SER 59 2HB SER 59 0.577 5.204 0.224 432 HG SER 59 HG SER 59 2.652 6.640 0.504 433 H ASN 60 H ASN 60 0.227 9.185 0.962 434 HA ASN 60 HA ASN 60 1.307 9.768 3.364 435 HB2 ASN 60 1HB ASN 60 0.386 11.220 1.035 436 HB3 ASN 60 2HB ASN 60 -0.148 12.103 2.451 437 HD21 ASN 60 1HD2 ASN 60 1.538 12.280 4.230 438 HD22 ASN 60 2HD2 ASN 60 3.147 12.711 3.755 439 H TYR 61 H TYR 61 -2.131 9.822 2.296 440 HA TYR 61 HA TYR 61 -3.116 11.081 4.646 441 HB2 TYR 61 1HB TYR 61 -4.195 9.402 2.314 442 HB3 TYR 61 2HB TYR 61 -5.279 9.951 3.576 443 HD1 TYR 61 2HD TYR 61 -2.492 11.586 1.650 444 HD2 TYR 61 1HD TYR 61 -6.595 11.712 2.854 445 HE1 TYR 61 2HE TYR 61 -2.785 13.803 0.441 446 HE2 TYR 61 1HE TYR 61 -6.875 13.929 1.641 447 HH TYR 61 HH TYR 61 -5.807 15.604 0.688 448 H VAL 62 H VAL 62 -3.394 7.673 3.396 449 HA VAL 62 HA VAL 62 -4.485 6.695 5.784 450 HB VAL 62 HB VAL 62 -4.199 4.553 4.811 451 HG11 VAL 62 1HG1 VAL 62 -4.526 6.299 2.373 452 HG12 VAL 62 2HG1 VAL 62 -5.388 4.805 2.814 453 HG13 VAL 62 3HG1 VAL 62 -5.730 6.320 3.684 454 HG21 VAL 62 1HG2 VAL 62 -2.266 3.987 3.855 455 HG22 VAL 62 2HG2 VAL 62 -2.737 4.940 2.427 456 HG23 VAL 62 3HG2 VAL 62 -1.780 5.694 3.724 457 H ARG 63 H ARG 63 -3.520 5.409 7.466 458 HA ARG 63 HA ARG 63 -0.804 6.246 7.935 459 HB2 ARG 63 1HB ARG 63 -2.705 6.458 9.672 460 HB3 ARG 63 2HB ARG 63 -2.648 4.712 9.828 461 HG2 ARG 63 1HG ARG 63 -0.368 4.757 10.638 462 HG3 ARG 63 2HG ARG 63 -0.159 6.434 10.176 463 HD2 ARG 63 1HD ARG 63 -1.947 7.076 11.853 464 HD3 ARG 63 2HD ARG 63 -2.036 5.400 12.357 465 HE ARG 63 HE ARG 63 0.702 6.314 12.446 466 HH11 ARG 63 2HH2 ARG 63 -2.355 6.561 14.171 467 HH12 ARG 63 1HH2 ARG 63 -1.612 6.881 15.702 468 HH21 ARG 63 2HH1 ARG 63 1.683 6.737 14.466 469 HH22 ARG 63 1HH1 ARG 63 0.700 6.982 15.871 470 H GLU 64 H GLU 64 0.905 4.715 8.471 471 HA GLU 64 HA GLU 64 0.395 2.124 7.289 472 HB2 GLU 64 1HB GLU 64 2.314 3.110 6.325 473 HB3 GLU 64 2HB GLU 64 2.879 3.756 7.854 474 HG2 GLU 64 1HG GLU 64 3.383 1.451 8.659 475 HG3 GLU 64 2HG GLU 64 2.778 0.782 7.156 476 H ILE 65 H ILE 65 1.012 0.127 8.371 477 HA ILE 65 HA ILE 65 1.005 0.444 11.287 478 HB ILE 65 HB ILE 65 0.117 -1.878 9.570 479 HG12 ILE 65 1HG1 ILE 65 -1.454 -0.118 9.284 480 HG13 ILE 65 2HG1 ILE 65 -2.157 -1.251 10.421 481 HG21 ILE 65 1HG2 ILE 65 -0.949 -2.292 12.045 482 HG22 ILE 65 2HG2 ILE 65 0.540 -3.052 11.434 483 HG23 ILE 65 3HG2 ILE 65 0.637 -1.598 12.456 484 HD11 ILE 65 1HD1 ILE 65 -1.340 0.199 12.320 485 HD12 ILE 65 2HD1 ILE 65 -0.771 1.378 11.113 486 HD13 ILE 65 3HD1 ILE 65 -2.509 1.018 11.255 487 H LYS 66 H LYS 66 2.210 -1.896 8.774 488 HA LYS 66 HA LYS 66 4.089 -3.152 10.230 489 HB2 LYS 66 1HB LYS 66 4.022 -2.333 7.331 490 HB3 LYS 66 2HB LYS 66 5.384 -3.228 7.975 491 HG2 LYS 66 1HG LYS 66 2.824 -4.387 8.848 492 HG3 LYS 66 2HG LYS 66 2.928 -4.306 7.101 493 HD2 LYS 66 1HD LYS 66 5.345 -5.315 8.592 494 HD3 LYS 66 2HD LYS 66 3.952 -6.374 8.500 495 HE2 LYS 66 1HE LYS 66 4.167 -6.699 6.216 496 HE3 LYS 66 2HE LYS 66 4.727 -5.065 5.924 497 HZ1 LYS 66 1HZ LYS 66 6.854 -5.638 6.397 498 HZ2 LYS 66 2HZ LYS 66 6.459 -6.855 7.412 499 HZ3 LYS 66 3HZ LYS 66 6.339 -7.067 5.797 500 H SER 67 H SER 67 5.676 -2.463 11.550 501 HA SER 67 HA SER 67 6.675 0.198 11.161 502 HB2 SER 67 1HB SER 67 7.783 -0.141 13.333 503 HB3 SER 67 2HB SER 67 6.095 -0.599 13.432 504 HG SER 67 HG SER 67 6.625 -2.758 13.511 505 H SER 68 H SER 68 7.401 -2.908 10.011 506 HA SER 68 HA SER 68 10.254 -2.468 10.022 507 HB2 SER 68 1HB SER 68 10.307 -4.761 8.947 508 HB3 SER 68 2HB SER 68 9.591 -4.724 10.546 509 HG SER 68 HG SER 68 8.470 -5.844 8.535 510 H GLU 69 H GLU 69 7.536 -1.644 8.160 511 HA GLU 69 HA GLU 69 8.996 -1.818 5.663 512 HB2 GLU 69 1HB GLU 69 6.087 -1.174 6.302 513 HB3 GLU 69 2HB GLU 69 6.754 -1.062 4.686 514 HG2 GLU 69 1HG GLU 69 7.095 -3.615 6.293 515 HG3 GLU 69 2HG GLU 69 5.586 -3.301 5.457 516 H ARG 70 H ARG 70 7.644 0.484 8.039 517 HA ARG 70 HA ARG 70 7.856 2.753 6.493 518 HB2 ARG 70 1HB ARG 70 7.086 2.125 9.115 519 HB3 ARG 70 2HB ARG 70 8.489 3.146 9.365 520 HG2 ARG 70 1HG ARG 70 7.362 4.738 7.594 521 HG3 ARG 70 2HG ARG 70 5.904 3.821 7.919 522 HD2 ARG 70 1HD ARG 70 5.670 4.677 10.060 523 HD3 ARG 70 2HD ARG 70 7.398 4.741 10.344 524 HE ARG 70 HE ARG 70 7.426 6.936 9.535 525 HH11 ARG 70 2HH2 ARG 70 4.458 5.364 8.484 526 HH12 ARG 70 1HH2 ARG 70 3.774 6.812 7.825 527 HH21 ARG 70 2HH1 ARG 70 6.524 8.847 8.666 528 HH22 ARG 70 1HH1 ARG 70 4.957 8.806 7.929 529 H SER 71 H SER 71 10.244 0.896 8.393 530 HA SER 71 HA SER 71 12.237 2.900 7.682 531 HB2 SER 71 1HB SER 71 11.908 1.060 10.033 532 HB3 SER 71 2HB SER 71 13.546 1.389 9.505 533 HG SER 71 HG SER 71 12.378 3.774 9.515 534 H GLY 72 H GLY 72 10.961 0.403 6.227 535 HA2 GLY 72 1HA GLY 72 13.138 -1.449 5.960 536 HA3 GLY 72 2HA GLY 72 11.647 -1.402 5.039 537 HA PRO 73 HA PRO 73 13.980 0.250 1.769 538 HB2 PRO 73 1HB PRO 73 11.966 1.029 0.093 539 HB3 PRO 73 2HB PRO 73 12.532 -0.626 0.206 540 HG2 PRO 73 1HG PRO 73 10.050 0.560 1.285 541 HG3 PRO 73 2HG PRO 73 10.431 -1.129 1.013 542 HD2 PRO 73 1HD PRO 73 10.415 0.244 3.532 543 HD3 PRO 73 2HD PRO 73 10.909 -1.413 3.245 544 H SER 74 H SER 74 15.088 2.064 1.259 545 HA SER 74 HA SER 74 14.876 4.221 2.779 546 HB2 SER 74 1HB SER 74 16.379 3.534 0.597 547 HB3 SER 74 2HB SER 74 15.433 4.839 -0.091 548 HG SER 74 HG SER 74 16.882 6.112 0.839 549 H SER 75 H SER 75 13.571 6.046 2.992 550 HA SER 75 HA SER 75 11.493 6.315 0.961 551 HB2 SER 75 1HB SER 75 11.307 6.053 3.895 552 HB3 SER 75 2HB SER 75 10.449 7.458 3.294 553 HG SER 75 HG SER 75 9.127 6.169 2.023 554 H GLY 76 H GLY 76 11.384 8.327 -0.002 555 HA2 GLY 76 1HA GLY 76 11.349 10.755 0.535 556 HA3 GLY 76 2HA GLY 76 12.905 10.506 1.301 Start of MODEL 10 1 H1 GLY 1 H GLY 1 2.609 -14.924 -3.627 2 HA2 GLY 1 1HA GLY 1 0.423 -16.865 -3.896 3 HA3 GLY 1 2HA GLY 1 0.835 -15.573 -5.006 4 H SER 2 H SER 2 1.297 -16.592 -6.931 5 HA SER 2 HA SER 2 3.280 -18.726 -6.756 6 HB2 SER 2 1HB SER 2 1.331 -19.788 -7.566 7 HB3 SER 2 2HB SER 2 0.840 -18.398 -8.512 8 HG SER 2 HG SER 2 3.317 -19.645 -9.184 9 H SER 3 H SER 3 1.873 -16.251 -9.034 10 HA SER 3 HA SER 3 4.595 -15.857 -10.003 11 HB2 SER 3 1HB SER 3 3.626 -15.128 -12.125 12 HB3 SER 3 2HB SER 3 2.983 -16.704 -11.707 13 HG SER 3 HG SER 3 1.046 -15.828 -11.886 14 H GLY 4 H GLY 4 5.458 -13.750 -9.993 15 HA2 GLY 4 1HA GLY 4 5.145 -11.389 -10.017 16 HA3 GLY 4 2HA GLY 4 3.659 -11.584 -9.108 17 H SER 5 H SER 5 6.461 -10.195 -8.668 18 HA SER 5 HA SER 5 6.409 -10.394 -5.917 19 HB2 SER 5 1HB SER 5 8.694 -11.483 -5.584 20 HB3 SER 5 2HB SER 5 7.393 -12.573 -6.022 21 HG SER 5 HG SER 5 9.687 -11.819 -7.481 22 H SER 6 H SER 6 6.411 -8.086 -6.392 23 HA SER 6 HA SER 6 9.059 -7.150 -7.186 24 HB2 SER 6 1HB SER 6 7.975 -5.142 -8.126 25 HB3 SER 6 2HB SER 6 7.358 -6.595 -8.888 26 HG SER 6 HG SER 6 5.614 -5.187 -8.352 27 H GLY 7 H GLY 7 10.139 -6.126 -5.541 28 HA2 GLY 7 1HA GLY 7 10.163 -4.317 -3.974 29 HA3 GLY 7 2HA GLY 7 8.523 -4.721 -3.506 30 H SER 8 H SER 8 8.155 -6.206 -1.862 31 HA SER 8 HA SER 8 10.190 -8.076 -1.189 32 HB2 SER 8 1HB SER 8 10.521 -5.625 -0.009 33 HB3 SER 8 2HB SER 8 9.463 -6.385 1.164 34 HG SER 8 HG SER 8 11.736 -6.762 1.617 35 H HIS 9 H HIS 9 7.275 -6.291 0.061 36 HA HIS 9 HA HIS 9 5.698 -8.622 -0.033 37 HB2 HIS 9 1HB HIS 9 5.280 -8.547 2.545 38 HB3 HIS 9 2HB HIS 9 6.595 -9.497 1.882 39 HD1 HIS 9 1HD HIS 9 5.887 -6.444 3.954 40 HD2 HIS 9 2HD HIS 9 9.206 -8.514 2.438 41 HE1 HIS 9 1HE HIS 9 7.928 -5.511 5.169 42 H GLN 10 H GLN 10 3.496 -8.110 1.225 43 HA GLN 10 HA GLN 10 2.646 -5.666 0.143 44 HB2 GLN 10 1HB GLN 10 0.450 -6.272 1.086 45 HB3 GLN 10 2HB GLN 10 1.182 -7.653 0.295 46 HG2 GLN 10 1HG GLN 10 2.141 -7.821 2.936 47 HG3 GLN 10 2HG GLN 10 0.486 -7.281 3.133 48 HE21 GLN 10 1HE2 GLN 10 2.537 -9.883 2.578 49 HE22 GLN 10 2HE2 GLN 10 1.380 -11.101 2.160 50 H LEU 11 H LEU 11 1.842 -3.762 1.240 51 HA LEU 11 HA LEU 11 3.058 -3.441 3.889 52 HB2 LEU 11 1HB LEU 11 3.449 -1.987 1.625 53 HB3 LEU 11 2HB LEU 11 2.161 -1.070 2.381 54 HG LEU 11 HG LEU 11 4.838 -1.751 3.632 55 HD11 LEU 11 1HD1 LEU 11 3.790 0.615 2.156 56 HD12 LEU 11 2HD1 LEU 11 4.830 0.914 3.569 57 HD13 LEU 11 3HD1 LEU 11 5.430 -0.074 2.215 58 HD21 LEU 11 1HD2 LEU 11 2.804 -1.618 5.186 59 HD22 LEU 11 2HD2 LEU 11 4.212 -0.599 5.570 60 HD23 LEU 11 3HD2 LEU 11 2.778 0.119 4.796 61 H ILE 12 H ILE 12 1.709 -3.502 5.596 62 HA ILE 12 HA ILE 12 -1.129 -3.187 5.085 63 HB ILE 12 HB ILE 12 0.480 -4.173 7.434 64 HG12 ILE 12 1HG1 ILE 12 -1.406 -6.071 6.590 65 HG13 ILE 12 2HG1 ILE 12 -0.750 -5.406 5.107 66 HG21 ILE 12 1HG2 ILE 12 -2.538 -4.087 7.297 67 HG22 ILE 12 2HG2 ILE 12 -1.502 -4.536 8.674 68 HG23 ILE 12 3HG2 ILE 12 -1.563 -2.846 8.119 69 HD11 ILE 12 1HD1 ILE 12 0.939 -6.436 7.434 70 HD12 ILE 12 2HD1 ILE 12 0.580 -7.351 5.950 71 HD13 ILE 12 3HD1 ILE 12 1.551 -5.862 5.864 72 H VAL 13 H VAL 13 -1.957 -1.170 5.106 73 HA VAL 13 HA VAL 13 -1.088 0.580 7.281 74 HB VAL 13 HB VAL 13 -1.082 2.480 5.698 75 HG11 VAL 13 1HG1 VAL 13 0.915 0.542 6.136 76 HG12 VAL 13 2HG1 VAL 13 0.996 0.940 4.402 77 HG13 VAL 13 3HG1 VAL 13 1.134 2.231 5.621 78 HG21 VAL 13 1HG2 VAL 13 -2.326 0.746 3.946 79 HG22 VAL 13 2HG2 VAL 13 -1.618 2.323 3.523 80 HG23 VAL 13 3HG2 VAL 13 -0.668 0.834 3.304 81 H LYS 14 H LYS 14 -2.789 1.503 8.341 82 HA LYS 14 HA LYS 14 -5.420 0.810 7.402 83 HB2 LYS 14 1HB LYS 14 -4.640 0.620 9.797 84 HB3 LYS 14 2HB LYS 14 -4.630 2.370 9.876 85 HG2 LYS 14 1HG LYS 14 -6.775 1.733 10.713 86 HG3 LYS 14 2HG LYS 14 -7.082 2.303 9.084 87 HD2 LYS 14 1HD LYS 14 -8.043 0.308 8.608 88 HD3 LYS 14 2HD LYS 14 -6.479 -0.459 8.797 89 HE2 LYS 14 1HE LYS 14 -6.877 -0.913 11.145 90 HE3 LYS 14 2HE LYS 14 -8.277 0.140 11.185 91 HZ1 LYS 14 1HZ LYS 14 -9.539 -1.389 10.127 92 HZ2 LYS 14 2HZ LYS 14 -8.303 -2.062 9.301 93 HZ3 LYS 14 3HZ LYS 14 -8.515 -2.413 10.881 94 H ALA 15 H ALA 15 -7.024 2.225 6.677 95 HA ALA 15 HA ALA 15 -6.154 4.458 5.259 96 HB1 ALA 15 1HB ALA 15 -8.697 4.910 5.191 97 HB2 ALA 15 2HB ALA 15 -8.123 3.357 4.536 98 HB3 ALA 15 3HB ALA 15 -8.858 3.422 6.156 99 H ARG 16 H ARG 16 -7.637 6.649 5.689 100 HA ARG 16 HA ARG 16 -7.081 7.306 8.471 101 HB2 ARG 16 1HB ARG 16 -5.421 8.431 7.078 102 HB3 ARG 16 2HB ARG 16 -6.647 8.980 5.953 103 HG2 ARG 16 1HG ARG 16 -7.696 10.284 7.909 104 HG3 ARG 16 2HG ARG 16 -6.267 9.886 8.841 105 HD2 ARG 16 1HD ARG 16 -4.899 10.906 6.873 106 HD3 ARG 16 2HD ARG 16 -6.421 11.554 6.295 107 HE ARG 16 HE ARG 16 -6.483 13.052 8.125 108 HH11 ARG 16 2HH2 ARG 16 -3.865 10.735 8.518 109 HH12 ARG 16 1HH2 ARG 16 -3.123 11.601 9.821 110 HH21 ARG 16 2HH1 ARG 16 -5.505 14.195 9.846 111 HH22 ARG 16 1HH1 ARG 16 -4.062 13.582 10.581 112 H PHE 17 H PHE 17 -8.954 8.157 5.480 113 HA PHE 17 HA PHE 17 -11.284 8.588 7.151 114 HB2 PHE 17 1HB PHE 17 -11.618 10.838 6.294 115 HB3 PHE 17 2HB PHE 17 -9.930 10.784 6.762 116 HD1 PHE 17 2HD PHE 17 -8.169 10.670 5.047 117 HD2 PHE 17 1HD PHE 17 -12.261 11.031 3.983 118 HE1 PHE 17 2HE PHE 17 -7.504 11.369 2.729 119 HE2 PHE 17 1HE PHE 17 -11.597 11.729 1.665 120 HZ PHE 17 HZ PHE 17 -9.227 11.889 1.066 121 H ASN 18 H ASN 18 -13.052 9.566 5.257 122 HA ASN 18 HA ASN 18 -13.387 7.251 3.675 123 HB2 ASN 18 1HB ASN 18 -14.918 9.900 3.534 124 HB3 ASN 18 2HB ASN 18 -15.481 8.350 2.941 125 HD21 ASN 18 1HD2 ASN 18 -17.057 9.682 4.622 126 HD22 ASN 18 2HD2 ASN 18 -17.110 8.956 6.195 127 H PHE 19 H PHE 19 -12.083 7.028 1.834 128 HA PHE 19 HA PHE 19 -11.357 9.430 0.370 129 HB2 PHE 19 1HB PHE 19 -9.645 7.701 0.990 130 HB3 PHE 19 2HB PHE 19 -10.606 6.450 0.227 131 HD1 PHE 19 2HD PHE 19 -9.525 9.840 -0.920 132 HD2 PHE 19 1HD PHE 19 -9.490 5.655 -1.624 133 HE1 PHE 19 2HE PHE 19 -8.297 10.212 -3.077 134 HE2 PHE 19 1HE PHE 19 -8.261 6.028 -3.780 135 HZ PHE 19 HZ PHE 19 -7.680 8.302 -4.482 136 H LYS 20 H LYS 20 -11.737 9.678 -1.908 137 HA LYS 20 HA LYS 20 -13.829 7.888 -2.932 138 HB2 LYS 20 1HB LYS 20 -14.704 10.117 -2.227 139 HB3 LYS 20 2HB LYS 20 -13.630 10.879 -3.384 140 HG2 LYS 20 1HG LYS 20 -15.214 8.676 -4.570 141 HG3 LYS 20 2HG LYS 20 -16.217 9.956 -3.917 142 HD2 LYS 20 1HD LYS 20 -13.831 10.680 -5.639 143 HD3 LYS 20 2HD LYS 20 -15.299 10.110 -6.408 144 HE2 LYS 20 1HE LYS 20 -16.614 11.913 -5.392 145 HE3 LYS 20 2HE LYS 20 -15.258 12.411 -4.401 146 HZ1 LYS 20 1HZ LYS 20 -15.681 12.806 -7.233 147 HZ2 LYS 20 2HZ LYS 20 -15.038 13.819 -6.126 148 HZ3 LYS 20 3HZ LYS 20 -14.139 12.600 -6.736 149 H GLN 21 H GLN 21 -13.070 6.700 -4.591 150 HA GLN 21 HA GLN 21 -10.634 7.351 -5.808 151 HB2 GLN 21 1HB GLN 21 -11.011 5.365 -7.164 152 HB3 GLN 21 2HB GLN 21 -11.525 5.026 -5.523 153 HG2 GLN 21 1HG GLN 21 -13.907 5.735 -6.296 154 HG3 GLN 21 2HG GLN 21 -13.284 5.642 -7.931 155 HE21 GLN 21 1HE2 GLN 21 -11.674 3.550 -8.016 156 HE22 GLN 21 2HE2 GLN 21 -12.477 2.065 -7.627 157 H THR 22 H THR 22 -10.178 8.109 -7.945 158 HA THR 22 HA THR 22 -12.166 9.914 -8.964 159 HB THR 22 HB THR 22 -10.262 10.445 -10.561 160 HG1 THR 22 1HG THR 22 -8.319 9.159 -10.141 161 HG21 THR 22 1HG2 THR 22 -8.991 11.572 -8.966 162 HG22 THR 22 2HG2 THR 22 -10.377 11.151 -7.932 163 HG23 THR 22 3HG2 THR 22 -8.903 10.154 -7.893 164 H ASN 23 H ASN 23 -11.465 6.582 -9.398 165 HA ASN 23 HA ASN 23 -13.471 6.389 -11.332 166 HB2 ASN 23 1HB ASN 23 -10.584 6.275 -12.249 167 HB3 ASN 23 2HB ASN 23 -11.735 5.190 -13.005 168 HD21 ASN 23 1HD2 ASN 23 -10.232 7.968 -13.450 169 HD22 ASN 23 2HD2 ASN 23 -11.397 8.898 -14.332 170 H GLU 24 H GLU 24 -13.413 3.914 -12.215 171 HA GLU 24 HA GLU 24 -13.175 2.326 -9.901 172 HB2 GLU 24 1HB GLU 24 -13.878 0.469 -11.483 173 HB3 GLU 24 2HB GLU 24 -14.965 1.841 -11.432 174 HG2 GLU 24 1HG GLU 24 -12.872 2.251 -13.444 175 HG3 GLU 24 2HG GLU 24 -13.716 0.742 -13.727 176 H ASP 25 H ASP 25 -10.888 3.428 -12.138 177 HA ASP 25 HA ASP 25 -9.385 1.034 -12.345 178 HB2 ASP 25 1HB ASP 25 -9.422 3.559 -13.600 179 HB3 ASP 25 2HB ASP 25 -7.898 3.551 -12.733 180 H GLU 26 H GLU 26 -9.619 3.873 -10.207 181 HA GLU 26 HA GLU 26 -7.106 3.287 -8.952 182 HB2 GLU 26 1HB GLU 26 -8.677 5.596 -9.273 183 HB3 GLU 26 2HB GLU 26 -8.835 5.220 -7.568 184 HG2 GLU 26 1HG GLU 26 -6.327 5.070 -7.391 185 HG3 GLU 26 2HG GLU 26 -6.196 5.505 -9.083 186 H LEU 27 H LEU 27 -7.628 3.807 -6.241 187 HA LEU 27 HA LEU 27 -9.318 1.503 -5.568 188 HB2 LEU 27 1HB LEU 27 -6.724 1.639 -5.133 189 HB3 LEU 27 2HB LEU 27 -7.214 2.588 -3.744 190 HG LEU 27 HG LEU 27 -8.656 0.023 -4.087 191 HD11 LEU 27 1HD1 LEU 27 -6.138 -0.309 -4.739 192 HD12 LEU 27 2HD1 LEU 27 -5.877 -0.186 -2.983 193 HD13 LEU 27 3HD1 LEU 27 -6.948 -1.449 -3.637 194 HD21 LEU 27 1HD2 LEU 27 -8.377 -0.085 -1.668 195 HD22 LEU 27 2HD2 LEU 27 -7.302 1.333 -1.711 196 HD23 LEU 27 3HD2 LEU 27 -9.016 1.501 -2.162 197 H SER 28 H SER 28 -10.459 1.664 -3.426 198 HA SER 28 HA SER 28 -11.008 4.431 -2.736 199 HB2 SER 28 1HB SER 28 -12.801 3.750 -4.277 200 HB3 SER 28 2HB SER 28 -13.103 2.299 -3.341 201 HG SER 28 HG SER 28 -13.970 3.502 -1.661 202 H VAL 29 H VAL 29 -11.596 4.740 -0.505 203 HA VAL 29 HA VAL 29 -11.830 2.367 1.143 204 HB VAL 29 HB VAL 29 -9.423 2.741 0.973 205 HG11 VAL 29 1HG1 VAL 29 -8.483 4.837 2.076 206 HG12 VAL 29 2HG1 VAL 29 -9.220 5.051 0.470 207 HG13 VAL 29 3HG1 VAL 29 -10.117 5.529 1.931 208 HG21 VAL 29 1HG2 VAL 29 -10.839 2.257 3.232 209 HG22 VAL 29 2HG2 VAL 29 -9.061 2.264 3.160 210 HG23 VAL 29 3HG2 VAL 29 -9.933 3.705 3.733 211 H CYS 30 H CYS 30 -12.805 2.819 3.209 212 HA CYS 30 HA CYS 30 -14.092 5.448 3.217 213 HB2 CYS 30 1HB CYS 30 -15.257 2.936 3.284 214 HB3 CYS 30 2HB CYS 30 -15.249 3.396 4.975 215 HG CYS 30 HG CYS 30 -17.342 4.506 4.676 216 H LYS 31 H LYS 31 -13.528 2.908 5.750 217 HA LYS 31 HA LYS 31 -11.597 4.539 7.096 218 HB2 LYS 31 1HB LYS 31 -14.135 5.304 7.621 219 HB3 LYS 31 2HB LYS 31 -13.970 4.030 8.814 220 HG2 LYS 31 1HG LYS 31 -12.390 5.183 10.038 221 HG3 LYS 31 2HG LYS 31 -11.622 5.860 8.615 222 HD2 LYS 31 1HD LYS 31 -12.830 7.785 8.762 223 HD3 LYS 31 2HD LYS 31 -14.340 6.912 8.919 224 HE2 LYS 31 1HE LYS 31 -12.411 7.110 11.262 225 HE3 LYS 31 2HE LYS 31 -13.544 8.404 10.924 226 HZ1 LYS 31 1HZ LYS 31 -15.200 6.421 10.840 227 HZ2 LYS 31 2HZ LYS 31 -14.086 5.692 11.784 228 HZ3 LYS 31 3HZ LYS 31 -14.775 7.092 12.266 229 H GLY 32 H GLY 32 -10.572 3.373 8.866 230 HA2 GLY 32 1HA GLY 32 -9.581 1.460 9.558 231 HA3 GLY 32 2HA GLY 32 -11.219 1.014 9.988 232 H ASP 33 H ASP 33 -9.276 1.288 6.917 233 HA ASP 33 HA ASP 33 -10.056 -1.457 6.380 234 HB2 ASP 33 1HB ASP 33 -10.654 0.983 4.792 235 HB3 ASP 33 2HB ASP 33 -9.927 -0.304 3.850 236 H ILE 34 H ILE 34 -7.838 -2.037 6.980 237 HA ILE 34 HA ILE 34 -5.569 -0.728 6.105 238 HB ILE 34 HB ILE 34 -6.272 -3.182 7.434 239 HG12 ILE 34 1HG1 ILE 34 -3.531 -2.377 7.783 240 HG13 ILE 34 2HG1 ILE 34 -4.544 -0.948 7.735 241 HG21 ILE 34 1HG2 ILE 34 -3.839 -3.387 5.642 242 HG22 ILE 34 2HG2 ILE 34 -4.446 -4.601 6.793 243 HG23 ILE 34 3HG2 ILE 34 -5.390 -4.204 5.338 244 HD11 ILE 34 1HD1 ILE 34 -6.099 -2.520 9.328 245 HD12 ILE 34 2HD1 ILE 34 -4.492 -3.175 9.729 246 HD13 ILE 34 3HD1 ILE 34 -4.832 -1.443 9.965 247 H ILE 35 H ILE 35 -4.392 -0.679 4.228 248 HA ILE 35 HA ILE 35 -5.445 -2.348 2.051 249 HB ILE 35 HB ILE 35 -4.140 0.364 1.829 250 HG12 ILE 35 1HG1 ILE 35 -6.912 0.370 1.087 251 HG13 ILE 35 2HG1 ILE 35 -6.773 -0.270 2.713 252 HG21 ILE 35 1HG2 ILE 35 -3.961 -1.229 -0.119 253 HG22 ILE 35 2HG2 ILE 35 -5.735 -1.157 -0.242 254 HG23 ILE 35 3HG2 ILE 35 -4.767 0.321 -0.460 255 HD11 ILE 35 1HD1 ILE 35 -6.764 1.962 3.271 256 HD12 ILE 35 2HD1 ILE 35 -5.026 1.811 2.919 257 HD13 ILE 35 3HD1 ILE 35 -6.131 2.462 1.684 258 H TYR 36 H TYR 36 -3.979 -3.486 0.760 259 HA TYR 36 HA TYR 36 -1.326 -3.724 1.951 260 HB2 TYR 36 1HB TYR 36 -2.936 -5.270 -0.178 261 HB3 TYR 36 2HB TYR 36 -1.368 -5.785 0.412 262 HD1 TYR 36 2HD TYR 36 -1.482 -5.520 3.280 263 HD2 TYR 36 1HD TYR 36 -4.576 -6.723 0.582 264 HE1 TYR 36 2HE TYR 36 -2.617 -6.817 5.148 265 HE2 TYR 36 1HE TYR 36 -5.700 -8.017 2.459 266 HH TYR 36 HH TYR 36 -4.281 -8.984 5.080 267 H VAL 37 H VAL 37 0.215 -2.390 1.128 268 HA VAL 37 HA VAL 37 -0.038 -1.434 -1.577 269 HB VAL 37 HB VAL 37 2.213 -1.011 0.391 270 HG11 VAL 37 1HG1 VAL 37 2.713 0.955 -0.858 271 HG12 VAL 37 2HG1 VAL 37 2.508 -0.360 -2.041 272 HG13 VAL 37 3HG1 VAL 37 1.206 0.829 -1.796 273 HG21 VAL 37 1HG2 VAL 37 0.258 1.150 0.240 274 HG22 VAL 37 2HG2 VAL 37 -0.458 -0.362 0.851 275 HG23 VAL 37 3HG2 VAL 37 0.962 0.341 1.661 276 H THR 38 H THR 38 0.873 -2.339 -3.354 277 HA THR 38 HA THR 38 2.844 -4.472 -2.871 278 HB THR 38 HB THR 38 1.071 -5.535 -3.967 279 HG1 THR 38 1HG THR 38 2.969 -5.504 -5.395 280 HG21 THR 38 1HG2 THR 38 -0.404 -3.523 -4.184 281 HG22 THR 38 2HG2 THR 38 0.608 -2.936 -5.524 282 HG23 THR 38 3HG2 THR 38 -0.336 -4.433 -5.712 283 H ARG 39 H ARG 39 2.014 -1.726 -5.075 284 HA ARG 39 HA ARG 39 4.491 -1.895 -6.372 285 HB2 ARG 39 1HB ARG 39 2.332 -0.818 -7.255 286 HB3 ARG 39 2HB ARG 39 2.649 0.539 -6.192 287 HG2 ARG 39 1HG ARG 39 4.698 1.098 -7.342 288 HG3 ARG 39 2HG ARG 39 4.726 -0.432 -8.196 289 HD2 ARG 39 1HD ARG 39 2.261 1.201 -8.628 290 HD3 ARG 39 2HD ARG 39 3.735 1.909 -9.256 291 HE ARG 39 HE ARG 39 3.288 -0.941 -9.920 292 HH11 ARG 39 2HH2 ARG 39 3.059 2.414 -10.952 293 HH12 ARG 39 1HH2 ARG 39 2.952 2.023 -12.635 294 HH21 ARG 39 2HH1 ARG 39 3.146 -1.459 -12.141 295 HH22 ARG 39 1HH1 ARG 39 3.001 -0.195 -13.316 296 H VAL 40 H VAL 40 3.134 0.781 -4.295 297 HA VAL 40 HA VAL 40 4.069 2.003 -2.693 298 HB VAL 40 HB VAL 40 6.546 0.291 -2.921 299 HG11 VAL 40 1HG1 VAL 40 5.962 2.569 -1.380 300 HG12 VAL 40 2HG1 VAL 40 5.815 1.190 -0.263 301 HG13 VAL 40 3HG1 VAL 40 7.325 1.443 -1.174 302 HG21 VAL 40 1HG2 VAL 40 5.640 -1.300 -1.463 303 HG22 VAL 40 2HG2 VAL 40 4.305 -0.232 -0.970 304 HG23 VAL 40 3HG2 VAL 40 4.305 -0.964 -2.592 305 H GLU 41 H GLU 41 3.885 3.552 -4.551 306 HA GLU 41 HA GLU 41 6.514 4.201 -5.616 307 HB2 GLU 41 1HB GLU 41 3.722 4.967 -6.572 308 HB3 GLU 41 2HB GLU 41 5.198 5.578 -7.291 309 HG2 GLU 41 1HG GLU 41 5.664 2.829 -7.238 310 HG3 GLU 41 2HG GLU 41 3.941 2.906 -7.553 311 H GLU 42 H GLU 42 7.582 5.929 -4.756 312 HA GLU 42 HA GLU 42 6.224 7.529 -2.847 313 HB2 GLU 42 1HB GLU 42 8.428 8.570 -2.493 314 HB3 GLU 42 2HB GLU 42 8.575 6.824 -2.528 315 HG2 GLU 42 1HG GLU 42 9.049 7.169 -5.111 316 HG3 GLU 42 2HG GLU 42 9.385 8.827 -4.655 317 H GLY 43 H GLY 43 6.078 7.554 -6.134 318 HA2 GLY 43 1HA GLY 43 6.689 10.106 -7.001 319 HA3 GLY 43 2HA GLY 43 5.426 9.079 -7.650 320 H GLY 44 H GLY 44 3.579 8.859 -5.585 321 HA2 GLY 44 1HA GLY 44 2.982 11.172 -4.155 322 HA3 GLY 44 2HA GLY 44 2.233 11.342 -5.731 323 H TRP 45 H TRP 45 1.579 8.639 -6.340 324 HA TRP 45 HA TRP 45 -0.532 8.219 -4.357 325 HB2 TRP 45 1HB TRP 45 -0.263 7.289 -7.221 326 HB3 TRP 45 2HB TRP 45 -1.585 6.866 -6.152 327 HD1 TRP 45 HD TRP 45 -0.014 10.165 -7.559 328 HE1 TRP 45 1HE TRP 45 -1.892 11.970 -7.983 329 HE3 TRP 45 3HE TRP 45 -3.852 7.363 -5.748 330 HZ2 TRP 45 2HZ TRP 45 -4.708 12.022 -7.525 331 HZ3 TRP 45 3HZ TRP 45 -6.135 8.366 -5.772 332 HH2 TRP 45 HH TRP 45 -6.593 10.612 -6.621 333 H TRP 46 H TRP 46 -1.126 5.693 -4.265 334 HA TRP 46 HA TRP 46 1.332 4.112 -4.260 335 HB2 TRP 46 1HB TRP 46 0.011 5.132 -1.905 336 HB3 TRP 46 2HB TRP 46 -0.068 3.381 -1.932 337 HD1 TRP 46 HD TRP 46 3.048 4.945 -3.497 338 HE1 TRP 46 1HE TRP 46 5.196 4.533 -2.022 339 HE3 TRP 46 3HE TRP 46 0.564 3.085 0.531 340 HZ2 TRP 46 2HZ TRP 46 5.607 3.499 0.606 341 HZ3 TRP 46 3HZ TRP 46 1.914 2.397 2.511 342 HH2 TRP 46 HH TRP 46 4.351 2.579 2.591 343 H GLU 47 H GLU 47 0.945 2.037 -5.010 344 HA GLU 47 HA GLU 47 -1.846 1.461 -5.577 345 HB2 GLU 47 1HB GLU 47 -0.692 1.346 -7.611 346 HB3 GLU 47 2HB GLU 47 0.768 0.712 -6.878 347 HG2 GLU 47 1HG GLU 47 -0.376 -1.469 -6.465 348 HG3 GLU 47 2HG GLU 47 -1.852 -0.836 -7.169 349 H GLY 48 H GLY 48 -2.830 0.166 -4.088 350 HA2 GLY 48 1HA GLY 48 -1.280 -2.125 -3.053 351 HA3 GLY 48 2HA GLY 48 -2.188 -1.083 -1.975 352 H THR 49 H THR 49 -3.451 -3.009 -1.363 353 HA THR 49 HA THR 49 -5.691 -3.373 -3.199 354 HB THR 49 HB THR 49 -3.654 -5.432 -2.397 355 HG1 THR 49 1HG THR 49 -5.681 -5.020 -4.483 356 HG21 THR 49 1HG2 THR 49 -5.590 -6.387 -1.236 357 HG22 THR 49 2HG2 THR 49 -6.664 -5.954 -2.587 358 HG23 THR 49 3HG2 THR 49 -5.432 -7.220 -2.800 359 H LEU 50 H LEU 50 -7.648 -3.509 -2.202 360 HA LEU 50 HA LEU 50 -7.525 -3.509 0.733 361 HB2 LEU 50 1HB LEU 50 -8.181 -1.364 -0.162 362 HB3 LEU 50 2HB LEU 50 -9.423 -2.108 -1.152 363 HG LEU 50 HG LEU 50 -10.633 -2.802 0.892 364 HD11 LEU 50 1HD1 LEU 50 -8.708 -1.099 2.476 365 HD12 LEU 50 2HD1 LEU 50 -9.991 -2.179 3.071 366 HD13 LEU 50 3HD1 LEU 50 -8.529 -2.862 2.320 367 HD21 LEU 50 1HD2 LEU 50 -10.012 0.137 0.551 368 HD22 LEU 50 2HD2 LEU 50 -11.370 -0.792 -0.129 369 HD23 LEU 50 3HD2 LEU 50 -11.295 -0.477 1.620 370 H ASN 51 H ASN 51 -9.702 -4.297 1.725 371 HA ASN 51 HA ASN 51 -9.984 -6.902 1.277 372 HB2 ASN 51 1HB ASN 51 -11.967 -4.807 2.237 373 HB3 ASN 51 2HB ASN 51 -12.472 -6.481 2.123 374 HD21 ASN 51 1HD2 ASN 51 -10.660 -4.139 3.837 375 HD22 ASN 51 2HD2 ASN 51 -10.063 -5.133 5.124 376 H GLY 52 H GLY 52 -10.083 -7.544 -0.959 377 HA2 GLY 52 1HA GLY 52 -11.116 -8.114 -2.875 378 HA3 GLY 52 2HA GLY 52 -12.638 -7.618 -2.162 379 H ARG 53 H ARG 53 -9.800 -5.450 -2.465 380 HA ARG 53 HA ARG 53 -11.135 -4.149 -4.684 381 HB2 ARG 53 1HB ARG 53 -10.946 -3.114 -1.983 382 HB3 ARG 53 2HB ARG 53 -9.951 -2.110 -3.018 383 HG2 ARG 53 1HG ARG 53 -11.919 -1.919 -4.620 384 HG3 ARG 53 2HG ARG 53 -12.897 -2.788 -3.454 385 HD2 ARG 53 1HD ARG 53 -12.494 -1.020 -1.754 386 HD3 ARG 53 2HD ARG 53 -11.432 -0.169 -2.860 387 HE ARG 53 HE ARG 53 -13.309 0.546 -4.124 388 HH11 ARG 53 2HH2 ARG 53 -14.275 -1.735 -1.624 389 HH12 ARG 53 1HH2 ARG 53 -15.966 -1.397 -1.790 390 HH21 ARG 53 2HH1 ARG 53 -15.539 0.993 -4.343 391 HH22 ARG 53 1HH1 ARG 53 -16.690 0.166 -3.347 392 H THR 54 H THR 54 -9.572 -2.385 -5.665 393 HA THR 54 HA THR 54 -6.785 -2.714 -5.101 394 HB THR 54 HB THR 54 -7.427 -4.812 -6.433 395 HG1 THR 54 1HG THR 54 -5.789 -2.918 -7.930 396 HG21 THR 54 1HG2 THR 54 -8.405 -2.681 -8.264 397 HG22 THR 54 2HG2 THR 54 -7.293 -3.836 -9.037 398 HG23 THR 54 3HG2 THR 54 -8.781 -4.421 -8.256 399 H GLY 55 H GLY 55 -5.444 -1.429 -6.757 400 HA2 GLY 55 1HA GLY 55 -5.774 0.274 -8.543 401 HA3 GLY 55 2HA GLY 55 -7.042 0.938 -7.532 402 H TRP 56 H TRP 56 -5.686 2.957 -7.666 403 HA TRP 56 HA TRP 56 -3.342 2.826 -5.910 404 HB2 TRP 56 1HB TRP 56 -4.214 4.829 -7.992 405 HB3 TRP 56 2HB TRP 56 -2.913 5.131 -6.857 406 HD1 TRP 56 HD TRP 56 -3.753 2.374 -9.512 407 HE1 TRP 56 1HE TRP 56 -1.551 1.556 -10.713 408 HE3 TRP 56 3HE TRP 56 -0.569 5.251 -6.784 409 HZ2 TRP 56 2HZ TRP 56 1.212 2.189 -10.396 410 HZ3 TRP 56 3HZ TRP 56 1.866 5.090 -7.294 411 HH2 TRP 56 HH TRP 56 2.770 3.625 -9.029 412 H PHE 57 H PHE 57 -3.141 4.626 -4.291 413 HA PHE 57 HA PHE 57 -5.476 6.138 -3.675 414 HB2 PHE 57 1HB PHE 57 -5.979 4.983 -1.568 415 HB3 PHE 57 2HB PHE 57 -5.927 3.749 -2.810 416 HD1 PHE 57 1HD PHE 57 -3.604 2.568 -3.129 417 HD2 PHE 57 2HD PHE 57 -4.742 4.685 0.369 418 HE1 PHE 57 1HE PHE 57 -1.882 1.310 -1.807 419 HE2 PHE 57 2HE PHE 57 -3.021 3.425 1.690 420 HZ PHE 57 HZ PHE 57 -1.611 1.752 0.588 421 HA PRO 58 HA PRO 58 -2.483 8.444 -1.559 422 HB2 PRO 58 1HB PRO 58 -3.915 9.728 0.383 423 HB3 PRO 58 2HB PRO 58 -3.900 10.239 -1.293 424 HG2 PRO 58 1HG PRO 58 -6.026 8.824 0.195 425 HG3 PRO 58 2HG PRO 58 -6.144 9.707 -1.315 426 HD2 PRO 58 1HD PRO 58 -6.085 6.858 -0.993 427 HD3 PRO 58 2HD PRO 58 -6.086 7.742 -2.506 428 H SER 59 H SER 59 -0.772 7.791 -0.433 429 HA SER 59 HA SER 59 -1.382 5.998 1.733 430 HB2 SER 59 1HB SER 59 1.182 5.772 1.772 431 HB3 SER 59 2HB SER 59 0.363 5.194 0.336 432 HG SER 59 HG SER 59 1.333 6.694 -0.859 433 H ASN 60 H ASN 60 0.562 9.016 1.138 434 HA ASN 60 HA ASN 60 1.504 9.539 3.543 435 HB2 ASN 60 1HB ASN 60 1.301 11.002 1.292 436 HB3 ASN 60 2HB ASN 60 0.008 11.792 2.174 437 HD21 ASN 60 1HD2 ASN 60 2.270 13.131 1.385 438 HD22 ASN 60 2HD2 ASN 60 3.217 13.599 2.758 439 H TYR 61 H TYR 61 -1.903 9.891 2.430 440 HA TYR 61 HA TYR 61 -2.853 11.240 4.717 441 HB2 TYR 61 1HB TYR 61 -3.990 9.455 2.491 442 HB3 TYR 61 2HB TYR 61 -5.052 10.136 3.707 443 HD1 TYR 61 1HD TYR 61 -2.590 11.081 1.064 444 HD2 TYR 61 2HD TYR 61 -5.892 12.330 3.482 445 HE1 TYR 61 1HE TYR 61 -2.785 13.221 -0.295 446 HE2 TYR 61 2HE TYR 61 -6.076 14.465 2.115 447 HH TYR 61 HH TYR 61 -5.272 15.638 0.496 448 H VAL 62 H VAL 62 -3.227 7.773 3.669 449 HA VAL 62 HA VAL 62 -4.316 7.004 6.157 450 HB VAL 62 HB VAL 62 -4.192 4.784 5.284 451 HG11 VAL 62 1HG1 VAL 62 -5.531 5.014 3.368 452 HG12 VAL 62 2HG1 VAL 62 -5.770 6.542 4.249 453 HG13 VAL 62 3HG1 VAL 62 -4.685 6.488 2.839 454 HG21 VAL 62 1HG2 VAL 62 -2.484 4.040 4.063 455 HG22 VAL 62 2HG2 VAL 62 -2.897 5.165 2.747 456 HG23 VAL 62 3HG2 VAL 62 -1.799 5.683 4.049 457 H ARG 63 H ARG 63 -3.347 5.713 7.840 458 HA ARG 63 HA ARG 63 -0.580 6.419 8.165 459 HB2 ARG 63 1HB ARG 63 -2.804 5.459 9.970 460 HB3 ARG 63 2HB ARG 63 -1.158 5.152 10.485 461 HG2 ARG 63 1HG ARG 63 -0.823 7.334 11.042 462 HG3 ARG 63 2HG ARG 63 -1.434 7.899 9.500 463 HD2 ARG 63 1HD ARG 63 -3.037 8.789 10.961 464 HD3 ARG 63 2HD ARG 63 -3.810 7.283 10.507 465 HE ARG 63 HE ARG 63 -2.081 7.019 12.856 466 HH11 ARG 63 2HH2 ARG 63 -5.311 7.858 11.739 467 HH12 ARG 63 1HH2 ARG 63 -6.064 7.518 13.262 468 HH21 ARG 63 2HH1 ARG 63 -3.073 6.571 14.865 469 HH22 ARG 63 1HH1 ARG 63 -4.783 6.781 15.052 470 H GLU 64 H GLU 64 1.037 4.762 8.886 471 HA GLU 64 HA GLU 64 0.470 2.246 7.567 472 HB2 GLU 64 1HB GLU 64 2.474 3.221 6.736 473 HB3 GLU 64 2HB GLU 64 3.018 3.700 8.331 474 HG2 GLU 64 1HG GLU 64 3.328 1.306 8.959 475 HG3 GLU 64 2HG GLU 64 2.750 0.807 7.382 476 H ILE 65 H ILE 65 0.969 0.188 8.609 477 HA ILE 65 HA ILE 65 0.856 0.420 11.533 478 HB ILE 65 HB ILE 65 -0.180 -1.709 9.661 479 HG12 ILE 65 1HG1 ILE 65 -1.544 0.327 9.746 480 HG13 ILE 65 2HG1 ILE 65 -2.374 -1.045 10.452 481 HG21 ILE 65 1HG2 ILE 65 0.666 -2.849 11.582 482 HG22 ILE 65 2HG2 ILE 65 -0.059 -1.655 12.685 483 HG23 ILE 65 3HG2 ILE 65 -1.103 -2.748 11.745 484 HD11 ILE 65 1HD1 ILE 65 -1.567 -0.256 12.742 485 HD12 ILE 65 2HD1 ILE 65 -0.981 1.222 11.940 486 HD13 ILE 65 3HD1 ILE 65 -2.719 0.835 11.934 487 H LYS 66 H LYS 66 2.133 -1.677 8.854 488 HA LYS 66 HA LYS 66 3.842 -3.188 10.359 489 HB2 LYS 66 1HB LYS 66 3.927 -2.234 7.499 490 HB3 LYS 66 2HB LYS 66 5.200 -3.247 8.150 491 HG2 LYS 66 1HG LYS 66 2.452 -4.197 8.786 492 HG3 LYS 66 2HG LYS 66 2.823 -4.183 7.073 493 HD2 LYS 66 1HD LYS 66 4.896 -5.328 8.941 494 HD3 LYS 66 2HD LYS 66 3.451 -6.278 8.651 495 HE2 LYS 66 1HE LYS 66 3.987 -5.667 6.083 496 HE3 LYS 66 2HE LYS 66 5.612 -5.464 6.707 497 HZ1 LYS 66 1HZ LYS 66 5.124 -7.723 5.974 498 HZ2 LYS 66 2HZ LYS 66 5.549 -7.675 7.550 499 HZ3 LYS 66 3HZ LYS 66 3.983 -7.872 7.132 500 H SER 67 H SER 67 5.552 -2.747 11.637 501 HA SER 67 HA SER 67 6.620 -0.083 11.502 502 HB2 SER 67 1HB SER 67 6.827 -2.387 13.453 503 HB3 SER 67 2HB SER 67 7.991 -1.080 13.538 504 HG SER 67 HG SER 67 6.517 0.180 14.443 505 H SER 68 H SER 68 7.303 -3.255 10.299 506 HA SER 68 HA SER 68 10.137 -2.831 10.215 507 HB2 SER 68 1HB SER 68 8.249 -5.069 9.579 508 HB3 SER 68 2HB SER 68 9.752 -5.044 8.678 509 HG SER 68 HG SER 68 10.105 -4.573 11.416 510 H GLU 69 H GLU 69 7.423 -1.824 8.443 511 HA GLU 69 HA GLU 69 8.826 -1.901 5.913 512 HB2 GLU 69 1HB GLU 69 5.978 -1.090 6.642 513 HB3 GLU 69 2HB GLU 69 6.626 -1.003 5.016 514 HG2 GLU 69 1HG GLU 69 6.944 -3.617 6.472 515 HG3 GLU 69 2HG GLU 69 5.327 -3.190 5.950 516 H ARG 70 H ARG 70 7.504 0.369 8.371 517 HA ARG 70 HA ARG 70 7.831 2.693 7.005 518 HB2 ARG 70 1HB ARG 70 7.413 1.864 9.743 519 HB3 ARG 70 2HB ARG 70 8.632 3.123 9.754 520 HG2 ARG 70 1HG ARG 70 6.381 3.734 7.933 521 HG3 ARG 70 2HG ARG 70 5.866 3.523 9.595 522 HD2 ARG 70 1HD ARG 70 6.644 5.594 10.098 523 HD3 ARG 70 2HD ARG 70 8.269 5.088 9.681 524 HE ARG 70 HE ARG 70 6.568 5.771 7.373 525 HH11 ARG 70 2HH2 ARG 70 8.922 6.926 9.720 526 HH12 ARG 70 1HH2 ARG 70 9.416 8.275 8.752 527 HH21 ARG 70 2HH1 ARG 70 7.219 7.550 6.096 528 HH22 ARG 70 1HH1 ARG 70 8.440 8.632 6.676 529 H SER 71 H SER 71 10.211 0.868 9.040 530 HA SER 71 HA SER 71 12.248 2.779 8.351 531 HB2 SER 71 1HB SER 71 11.986 0.487 10.279 532 HB3 SER 71 2HB SER 71 13.603 0.903 9.747 533 HG SER 71 HG SER 71 11.737 2.841 10.815 534 H GLY 72 H GLY 72 10.817 0.641 6.500 535 HA2 GLY 72 1HA GLY 72 13.296 -0.183 5.171 536 HA3 GLY 72 2HA GLY 72 12.153 -1.430 5.629 537 HA PRO 73 HA PRO 73 9.906 1.263 2.449 538 HB2 PRO 73 1HB PRO 73 11.101 3.496 1.423 539 HB3 PRO 73 2HB PRO 73 9.986 3.542 2.774 540 HG2 PRO 73 1HG PRO 73 12.930 3.817 2.789 541 HG3 PRO 73 2HG PRO 73 11.778 4.273 4.029 542 HD2 PRO 73 1HD PRO 73 13.484 1.967 4.037 543 HD3 PRO 73 2HD PRO 73 12.250 2.363 5.218 544 H SER 74 H SER 74 13.351 1.550 1.737 545 HA SER 74 HA SER 74 12.767 -0.060 -0.619 546 HB2 SER 74 1HB SER 74 13.386 2.560 -0.850 547 HB3 SER 74 2HB SER 74 15.017 1.930 -0.732 548 HG SER 74 HG SER 74 14.794 1.567 -2.834 549 H SER 75 H SER 75 15.486 1.289 1.401 550 HA SER 75 HA SER 75 16.324 -1.179 2.280 551 HB2 SER 75 1HB SER 75 16.934 -1.511 -0.141 552 HB3 SER 75 2HB SER 75 18.012 -0.132 -0.036 553 HG SER 75 HG SER 75 18.285 -2.295 1.834 554 H GLY 76 H GLY 76 17.781 1.883 0.943 555 HA2 GLY 76 1HA GLY 76 18.518 3.668 2.232 556 HA3 GLY 76 2HA GLY 76 18.557 2.649 3.657 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -10.977 -19.036 -0.564 2 HA2 GLY 1 1HA GLY 1 -9.247 -21.111 -1.626 3 HA3 GLY 1 2HA GLY 1 -9.722 -19.873 -2.772 4 H SER 2 H SER 2 -7.403 -20.737 -0.478 5 HA SER 2 HA SER 2 -6.466 -17.996 -0.433 6 HB2 SER 2 1HB SER 2 -6.051 -17.957 1.898 7 HB3 SER 2 2HB SER 2 -7.653 -18.655 1.768 8 HG SER 2 HG SER 2 -6.216 -19.827 3.241 9 H SER 3 H SER 3 -4.043 -17.986 0.373 10 HA SER 3 HA SER 3 -2.641 -20.406 0.225 11 HB2 SER 3 1HB SER 3 -3.192 -20.136 -2.204 12 HB3 SER 3 2HB SER 3 -2.396 -18.575 -2.205 13 HG SER 3 HG SER 3 -1.255 -20.901 -2.701 14 H GLY 4 H GLY 4 -0.201 -19.978 0.339 15 HA2 GLY 4 1HA GLY 4 0.255 -17.667 2.008 16 HA3 GLY 4 2HA GLY 4 1.377 -18.958 1.627 17 H SER 5 H SER 5 0.688 -15.686 1.138 18 HA SER 5 HA SER 5 1.402 -15.359 -1.522 19 HB2 SER 5 1HB SER 5 1.646 -13.476 0.864 20 HB3 SER 5 2HB SER 5 1.904 -12.974 -0.795 21 HG SER 5 HG SER 5 -0.307 -12.610 0.072 22 H SER 6 H SER 6 3.442 -14.658 -2.477 23 HA SER 6 HA SER 6 5.753 -14.320 -1.019 24 HB2 SER 6 1HB SER 6 5.045 -17.133 -1.530 25 HB3 SER 6 2HB SER 6 6.612 -16.718 -2.198 26 HG SER 6 HG SER 6 6.222 -15.695 0.376 27 H GLY 7 H GLY 7 5.645 -12.604 -2.669 28 HA2 GLY 7 1HA GLY 7 7.088 -13.321 -5.058 29 HA3 GLY 7 2HA GLY 7 5.433 -12.833 -5.362 30 H SER 8 H SER 8 4.708 -10.706 -4.240 31 HA SER 8 HA SER 8 6.932 -8.850 -4.514 32 HB2 SER 8 1HB SER 8 4.896 -8.648 -6.041 33 HB3 SER 8 2HB SER 8 3.949 -8.232 -4.627 34 HG SER 8 HG SER 8 6.336 -6.752 -4.964 35 H HIS 9 H HIS 9 6.940 -6.932 -3.009 36 HA HIS 9 HA HIS 9 6.539 -7.814 -0.353 37 HB2 HIS 9 1HB HIS 9 7.254 -5.417 0.161 38 HB3 HIS 9 2HB HIS 9 8.401 -6.450 -0.670 39 HD1 HIS 9 1HD HIS 9 8.760 -5.990 -3.280 40 HD2 HIS 9 2HD HIS 9 6.467 -3.135 -1.235 41 HE1 HIS 9 1HE HIS 9 8.652 -3.940 -4.796 42 H GLN 10 H GLN 10 5.102 -6.949 1.260 43 HA GLN 10 HA GLN 10 2.843 -5.519 0.097 44 HB2 GLN 10 1HB GLN 10 2.760 -8.163 0.944 45 HB3 GLN 10 2HB GLN 10 2.194 -7.310 2.366 46 HG2 GLN 10 1HG GLN 10 0.447 -6.172 1.055 47 HG3 GLN 10 2HG GLN 10 1.070 -6.850 -0.436 48 HE21 GLN 10 1HE2 GLN 10 0.429 -8.787 -1.101 49 HE22 GLN 10 2HE2 GLN 10 -0.593 -9.880 -0.229 50 H LEU 11 H LEU 11 1.980 -3.834 1.354 51 HA LEU 11 HA LEU 11 3.314 -3.422 3.939 52 HB2 LEU 11 1HB LEU 11 3.702 -1.910 1.703 53 HB3 LEU 11 2HB LEU 11 2.386 -1.044 2.471 54 HG LEU 11 HG LEU 11 5.079 -1.682 3.706 55 HD11 LEU 11 1HD1 LEU 11 3.905 0.741 2.401 56 HD12 LEU 11 2HD1 LEU 11 5.030 0.954 3.763 57 HD13 LEU 11 3HD1 LEU 11 5.552 0.070 2.308 58 HD21 LEU 11 1HD2 LEU 11 3.441 -1.784 5.452 59 HD22 LEU 11 2HD2 LEU 11 4.303 -0.232 5.586 60 HD23 LEU 11 3HD2 LEU 11 2.667 -0.283 4.888 61 H ILE 12 H ILE 12 1.945 -3.443 5.635 62 HA ILE 12 HA ILE 12 -0.893 -3.332 5.063 63 HB ILE 12 HB ILE 12 0.779 -4.140 7.423 64 HG12 ILE 12 1HG1 ILE 12 -1.174 -6.056 6.790 65 HG13 ILE 12 2HG1 ILE 12 -0.590 -5.481 5.242 66 HG21 ILE 12 1HG2 ILE 12 -2.242 -3.946 7.433 67 HG22 ILE 12 2HG2 ILE 12 -1.181 -4.477 8.759 68 HG23 ILE 12 3HG2 ILE 12 -1.154 -2.780 8.224 69 HD11 ILE 12 1HD1 ILE 12 1.747 -5.916 5.915 70 HD12 ILE 12 2HD1 ILE 12 1.199 -6.425 7.530 71 HD13 ILE 12 3HD1 ILE 12 0.767 -7.390 6.098 72 H VAL 13 H VAL 13 -1.791 -1.347 4.883 73 HA VAL 13 HA VAL 13 -1.026 0.609 6.934 74 HB VAL 13 HB VAL 13 -1.303 2.363 5.224 75 HG11 VAL 13 1HG1 VAL 13 0.887 0.679 5.651 76 HG12 VAL 13 2HG1 VAL 13 0.778 0.833 3.880 77 HG13 VAL 13 3HG1 VAL 13 0.907 2.290 4.894 78 HG21 VAL 13 1HG2 VAL 13 -1.143 0.253 3.079 79 HG22 VAL 13 2HG2 VAL 13 -2.719 0.766 3.727 80 HG23 VAL 13 3HG2 VAL 13 -1.644 1.957 2.957 81 H LYS 14 H LYS 14 -2.743 2.006 7.643 82 HA LYS 14 HA LYS 14 -5.381 0.897 6.995 83 HB2 LYS 14 1HB LYS 14 -4.561 0.617 9.343 84 HB3 LYS 14 2HB LYS 14 -4.520 2.362 9.505 85 HG2 LYS 14 1HG LYS 14 -6.643 1.686 10.394 86 HG3 LYS 14 2HG LYS 14 -6.995 2.384 8.826 87 HD2 LYS 14 1HD LYS 14 -8.080 0.451 8.328 88 HD3 LYS 14 2HD LYS 14 -6.505 -0.309 8.218 89 HE2 LYS 14 1HE LYS 14 -6.588 -1.025 10.542 90 HE3 LYS 14 2HE LYS 14 -7.998 -0.035 10.864 91 HZ1 LYS 14 1HZ LYS 14 -8.352 -1.874 8.710 92 HZ2 LYS 14 2HZ LYS 14 -8.073 -2.601 10.146 93 HZ3 LYS 14 3HZ LYS 14 -9.324 -1.564 9.985 94 H ALA 15 H ALA 15 -7.123 2.325 6.549 95 HA ALA 15 HA ALA 15 -6.304 4.704 5.226 96 HB1 ALA 15 1HB ALA 15 -8.900 4.923 5.067 97 HB2 ALA 15 2HB ALA 15 -8.104 3.567 4.234 98 HB3 ALA 15 3HB ALA 15 -8.921 3.298 5.792 99 H ARG 16 H ARG 16 -7.173 6.893 5.709 100 HA ARG 16 HA ARG 16 -6.915 7.356 8.513 101 HB2 ARG 16 1HB ARG 16 -5.866 8.781 6.627 102 HB3 ARG 16 2HB ARG 16 -7.473 9.413 6.324 103 HG2 ARG 16 1HG ARG 16 -7.222 10.899 8.014 104 HG3 ARG 16 2HG ARG 16 -7.032 9.584 9.157 105 HD2 ARG 16 1HD ARG 16 -4.657 10.317 7.439 106 HD3 ARG 16 2HD ARG 16 -5.079 11.391 8.759 107 HE ARG 16 HE ARG 16 -4.975 8.561 9.535 108 HH11 ARG 16 2HH2 ARG 16 -3.129 11.534 9.168 109 HH12 ARG 16 1HH2 ARG 16 -1.897 11.058 10.288 110 HH21 ARG 16 2HH1 ARG 16 -3.349 7.932 11.013 111 HH22 ARG 16 1HH1 ARG 16 -2.022 8.995 11.344 112 H PHE 17 H PHE 17 -9.276 8.382 5.926 113 HA PHE 17 HA PHE 17 -11.445 7.874 7.776 114 HB2 PHE 17 1HB PHE 17 -12.309 10.196 7.437 115 HB3 PHE 17 2HB PHE 17 -10.701 10.265 8.129 116 HD1 PHE 17 2HD PHE 17 -12.693 10.851 5.113 117 HD2 PHE 17 1HD PHE 17 -8.825 11.095 6.841 118 HE1 PHE 17 2HE PHE 17 -11.941 12.322 3.223 119 HE2 PHE 17 1HE PHE 17 -8.073 12.566 4.951 120 HZ PHE 17 HZ PHE 17 -9.640 13.163 3.165 121 H ASN 18 H ASN 18 -13.543 9.006 6.348 122 HA ASN 18 HA ASN 18 -13.975 7.148 4.409 123 HB2 ASN 18 1HB ASN 18 -15.186 9.957 4.393 124 HB3 ASN 18 2HB ASN 18 -15.929 8.487 3.794 125 HD21 ASN 18 1HD2 ASN 18 -14.998 10.331 6.597 126 HD22 ASN 18 2HD2 ASN 18 -15.926 9.476 7.783 127 H PHE 19 H PHE 19 -12.420 6.964 2.727 128 HA PHE 19 HA PHE 19 -11.829 9.425 1.247 129 HB2 PHE 19 1HB PHE 19 -9.857 8.277 2.187 130 HB3 PHE 19 2HB PHE 19 -10.447 6.715 1.656 131 HD1 PHE 19 1HD PHE 19 -10.435 6.167 -0.787 132 HD2 PHE 19 2HD PHE 19 -8.571 9.657 0.745 133 HE1 PHE 19 1HE PHE 19 -9.102 6.383 -2.903 134 HE2 PHE 19 2HE PHE 19 -7.238 9.874 -1.371 135 HZ PHE 19 HZ PHE 19 -7.519 8.234 -3.169 136 H LYS 20 H LYS 20 -13.001 9.657 -0.595 137 HA LYS 20 HA LYS 20 -14.093 7.271 -1.835 138 HB2 LYS 20 1HB LYS 20 -15.467 9.333 -1.337 139 HB3 LYS 20 2HB LYS 20 -14.548 10.175 -2.569 140 HG2 LYS 20 1HG LYS 20 -15.477 7.594 -3.586 141 HG3 LYS 20 2HG LYS 20 -16.826 8.520 -2.955 142 HD2 LYS 20 1HD LYS 20 -14.960 10.168 -4.555 143 HD3 LYS 20 2HD LYS 20 -15.651 8.846 -5.475 144 HE2 LYS 20 1HE LYS 20 -17.716 9.818 -5.527 145 HE3 LYS 20 2HE LYS 20 -17.684 10.173 -3.812 146 HZ1 LYS 20 1HZ LYS 20 -16.005 11.747 -5.585 147 HZ2 LYS 20 2HZ LYS 20 -17.606 12.065 -5.537 148 HZ3 LYS 20 3HZ LYS 20 -16.709 12.179 -4.177 149 H GLN 21 H GLN 21 -13.683 6.656 -4.010 150 HA GLN 21 HA GLN 21 -11.048 7.425 -4.840 151 HB2 GLN 21 1HB GLN 21 -11.182 5.546 -6.364 152 HB3 GLN 21 2HB GLN 21 -11.818 5.030 -4.815 153 HG2 GLN 21 1HG GLN 21 -14.161 5.618 -5.713 154 HG3 GLN 21 2HG GLN 21 -13.419 5.813 -7.289 155 HE21 GLN 21 1HE2 GLN 21 -11.606 3.881 -7.491 156 HE22 GLN 21 2HE2 GLN 21 -12.308 2.300 -7.395 157 H THR 22 H THR 22 -10.513 8.460 -6.821 158 HA THR 22 HA THR 22 -12.505 10.246 -7.797 159 HB THR 22 HB THR 22 -10.647 11.166 -9.031 160 HG1 THR 22 1HG THR 22 -9.380 8.584 -8.457 161 HG21 THR 22 1HG2 THR 22 -9.284 11.652 -7.255 162 HG22 THR 22 2HG2 THR 22 -10.288 10.532 -6.302 163 HG23 THR 22 3HG2 THR 22 -8.801 9.947 -7.086 164 H ASN 23 H ASN 23 -11.534 6.997 -8.607 165 HA ASN 23 HA ASN 23 -13.586 6.893 -10.530 166 HB2 ASN 23 1HB ASN 23 -10.705 7.064 -11.427 167 HB3 ASN 23 2HB ASN 23 -11.741 5.931 -12.272 168 HD21 ASN 23 1HD2 ASN 23 -10.457 8.514 -13.032 169 HD22 ASN 23 2HD2 ASN 23 -11.718 9.511 -13.679 170 H GLU 24 H GLU 24 -13.797 4.562 -11.353 171 HA GLU 24 HA GLU 24 -13.389 2.770 -9.317 172 HB2 GLU 24 1HB GLU 24 -14.002 1.034 -11.039 173 HB3 GLU 24 2HB GLU 24 -15.106 2.393 -10.980 174 HG2 GLU 24 1HG GLU 24 -14.784 2.480 -13.244 175 HG3 GLU 24 2HG GLU 24 -13.298 3.316 -12.836 176 H ASP 25 H ASP 25 -11.257 3.829 -11.915 177 HA ASP 25 HA ASP 25 -9.628 1.634 -12.116 178 HB2 ASP 25 1HB ASP 25 -9.587 4.439 -12.860 179 HB3 ASP 25 2HB ASP 25 -8.003 4.004 -12.246 180 H GLU 26 H GLU 26 -9.529 4.521 -9.917 181 HA GLU 26 HA GLU 26 -7.187 3.627 -8.609 182 HB2 GLU 26 1HB GLU 26 -8.548 6.036 -8.809 183 HB3 GLU 26 2HB GLU 26 -8.912 5.557 -7.163 184 HG2 GLU 26 1HG GLU 26 -6.891 6.639 -6.794 185 HG3 GLU 26 2HG GLU 26 -6.291 5.016 -7.075 186 H LEU 27 H LEU 27 -7.443 3.705 -5.947 187 HA LEU 27 HA LEU 27 -9.237 1.474 -5.427 188 HB2 LEU 27 1HB LEU 27 -6.654 1.780 -4.838 189 HB3 LEU 27 2HB LEU 27 -7.327 2.520 -3.398 190 HG LEU 27 HG LEU 27 -8.495 -0.102 -4.135 191 HD11 LEU 27 1HD1 LEU 27 -5.746 -0.101 -2.898 192 HD12 LEU 27 2HD1 LEU 27 -6.681 -1.461 -3.567 193 HD13 LEU 27 3HD1 LEU 27 -5.984 -0.239 -4.657 194 HD21 LEU 27 1HD2 LEU 27 -7.359 0.650 -1.462 195 HD22 LEU 27 2HD2 LEU 27 -8.867 1.403 -2.032 196 HD23 LEU 27 3HD2 LEU 27 -8.765 -0.366 -1.861 197 H SER 28 H SER 28 -10.385 1.488 -3.232 198 HA SER 28 HA SER 28 -11.149 4.190 -2.506 199 HB2 SER 28 1HB SER 28 -12.807 2.337 -3.969 200 HB3 SER 28 2HB SER 28 -13.497 2.530 -2.370 201 HG SER 28 HG SER 28 -13.394 4.881 -2.709 202 H VAL 29 H VAL 29 -11.493 4.440 -0.276 203 HA VAL 29 HA VAL 29 -11.736 2.007 1.315 204 HB VAL 29 HB VAL 29 -10.017 3.193 2.883 205 HG11 VAL 29 1HG1 VAL 29 -9.370 1.086 2.250 206 HG12 VAL 29 2HG1 VAL 29 -9.562 1.425 0.513 207 HG13 VAL 29 3HG1 VAL 29 -8.140 2.042 1.389 208 HG21 VAL 29 1HG2 VAL 29 -8.483 4.022 0.537 209 HG22 VAL 29 2HG2 VAL 29 -9.953 5.000 0.771 210 HG23 VAL 29 3HG2 VAL 29 -8.755 4.863 2.082 211 H CYS 30 H CYS 30 -12.413 2.529 3.599 212 HA CYS 30 HA CYS 30 -13.964 5.015 3.575 213 HB2 CYS 30 1HB CYS 30 -15.347 2.945 3.464 214 HB3 CYS 30 2HB CYS 30 -14.661 2.419 4.988 215 HG CYS 30 HG CYS 30 -16.925 3.315 5.659 216 H LYS 31 H LYS 31 -13.074 2.559 6.100 217 HA LYS 31 HA LYS 31 -11.064 4.082 7.290 218 HB2 LYS 31 1HB LYS 31 -13.193 5.520 7.700 219 HB3 LYS 31 2HB LYS 31 -13.612 4.302 8.886 220 HG2 LYS 31 1HG LYS 31 -11.505 4.667 10.096 221 HG3 LYS 31 2HG LYS 31 -10.918 5.741 8.842 222 HD2 LYS 31 1HD LYS 31 -12.144 7.522 9.609 223 HD3 LYS 31 2HD LYS 31 -13.562 6.540 9.925 224 HE2 LYS 31 1HE LYS 31 -11.577 5.704 11.810 225 HE3 LYS 31 2HE LYS 31 -11.527 7.455 11.794 226 HZ1 LYS 31 1HZ LYS 31 -14.107 7.114 11.848 227 HZ2 LYS 31 2HZ LYS 31 -13.693 5.704 12.561 228 HZ3 LYS 31 3HZ LYS 31 -13.219 7.122 13.218 229 H GLY 32 H GLY 32 -9.914 2.730 8.609 230 HA2 GLY 32 1HA GLY 32 -9.351 0.861 9.721 231 HA3 GLY 32 2HA GLY 32 -11.002 0.801 10.306 232 H ASP 33 H ASP 33 -9.488 0.433 7.014 233 HA ASP 33 HA ASP 33 -10.987 -2.060 6.822 234 HB2 ASP 33 1HB ASP 33 -10.294 0.110 4.855 235 HB3 ASP 33 2HB ASP 33 -10.344 -1.529 4.238 236 H ILE 34 H ILE 34 -7.883 -0.333 6.466 237 HA ILE 34 HA ILE 34 -5.794 -1.061 6.391 238 HB ILE 34 HB ILE 34 -7.234 -3.394 7.346 239 HG12 ILE 34 1HG1 ILE 34 -6.066 -2.071 8.906 240 HG13 ILE 34 2HG1 ILE 34 -5.139 -3.550 8.760 241 HG21 ILE 34 1HG2 ILE 34 -5.407 -5.018 6.905 242 HG22 ILE 34 2HG2 ILE 34 -6.306 -4.543 5.445 243 HG23 ILE 34 3HG2 ILE 34 -4.695 -3.857 5.759 244 HD11 ILE 34 1HD1 ILE 34 -4.424 -0.778 7.945 245 HD12 ILE 34 2HD1 ILE 34 -3.374 -2.117 8.467 246 HD13 ILE 34 3HD1 ILE 34 -3.959 -2.048 6.788 247 H ILE 35 H ILE 35 -4.634 -0.876 4.553 248 HA ILE 35 HA ILE 35 -5.617 -2.389 2.233 249 HB ILE 35 HB ILE 35 -4.270 0.313 2.232 250 HG12 ILE 35 1HG1 ILE 35 -6.948 0.417 1.252 251 HG13 ILE 35 2HG1 ILE 35 -6.990 -0.371 2.816 252 HG21 ILE 35 1HG2 ILE 35 -3.795 -0.897 0.211 253 HG22 ILE 35 2HG2 ILE 35 -5.505 -1.354 0.024 254 HG23 ILE 35 3HG2 ILE 35 -5.015 0.349 -0.143 255 HD11 ILE 35 1HD1 ILE 35 -5.429 1.556 3.628 256 HD12 ILE 35 2HD1 ILE 35 -5.915 2.383 2.129 257 HD13 ILE 35 3HD1 ILE 35 -7.143 1.940 3.338 258 H TYR 36 H TYR 36 -4.014 -3.278 0.805 259 HA TYR 36 HA TYR 36 -1.428 -3.618 2.160 260 HB2 TYR 36 1HB TYR 36 -3.033 -5.236 0.083 261 HB3 TYR 36 2HB TYR 36 -1.447 -5.717 0.652 262 HD1 TYR 36 2HD TYR 36 -1.407 -5.551 3.463 263 HD2 TYR 36 1HD TYR 36 -4.736 -6.530 0.960 264 HE1 TYR 36 2HE TYR 36 -2.487 -6.820 5.382 265 HE2 TYR 36 1HE TYR 36 -5.805 -7.796 2.888 266 HH TYR 36 HH TYR 36 -5.197 -8.864 4.894 267 H VAL 37 H VAL 37 0.131 -2.326 1.310 268 HA VAL 37 HA VAL 37 -0.108 -1.422 -1.411 269 HB VAL 37 HB VAL 37 2.183 -0.986 0.499 270 HG11 VAL 37 1HG1 VAL 37 1.956 -0.264 -2.099 271 HG12 VAL 37 2HG1 VAL 37 1.195 1.144 -1.320 272 HG13 VAL 37 3HG1 VAL 37 2.857 0.679 -0.888 273 HG21 VAL 37 1HG2 VAL 37 0.378 1.221 0.572 274 HG22 VAL 37 2HG2 VAL 37 -0.553 -0.256 0.918 275 HG23 VAL 37 3HG2 VAL 37 0.875 0.148 1.902 276 H THR 38 H THR 38 0.723 -2.439 -3.160 277 HA THR 38 HA THR 38 2.730 -4.529 -2.640 278 HB THR 38 HB THR 38 0.691 -5.467 -3.555 279 HG1 THR 38 1HG THR 38 2.193 -6.404 -4.892 280 HG21 THR 38 1HG2 THR 38 -0.348 -3.365 -4.445 281 HG22 THR 38 2HG2 THR 38 0.903 -3.296 -5.710 282 HG23 THR 38 3HG2 THR 38 -0.278 -4.629 -5.697 283 H ARG 39 H ARG 39 1.817 -1.840 -4.872 284 HA ARG 39 HA ARG 39 4.190 -2.063 -6.326 285 HB2 ARG 39 1HB ARG 39 1.945 -0.874 -6.946 286 HB3 ARG 39 2HB ARG 39 2.548 0.489 -6.024 287 HG2 ARG 39 1HG ARG 39 4.614 0.522 -7.466 288 HG3 ARG 39 2HG ARG 39 3.956 -0.800 -8.411 289 HD2 ARG 39 1HD ARG 39 2.345 1.748 -8.028 290 HD3 ARG 39 2HD ARG 39 3.598 1.674 -9.250 291 HE ARG 39 HE ARG 39 1.013 0.314 -9.322 292 HH11 ARG 39 2HH2 ARG 39 4.325 0.223 -10.508 293 HH12 ARG 39 1HH2 ARG 39 3.929 -0.703 -11.918 294 HH21 ARG 39 2HH1 ARG 39 0.492 -0.908 -11.181 295 HH22 ARG 39 1HH1 ARG 39 1.734 -1.351 -12.303 296 H VAL 40 H VAL 40 3.090 0.681 -4.190 297 HA VAL 40 HA VAL 40 4.176 1.923 -2.711 298 HB VAL 40 HB VAL 40 6.438 -0.073 -2.901 299 HG11 VAL 40 1HG1 VAL 40 6.055 1.055 -0.291 300 HG12 VAL 40 2HG1 VAL 40 7.470 1.171 -1.366 301 HG13 VAL 40 3HG1 VAL 40 6.164 2.375 -1.480 302 HG21 VAL 40 1HG2 VAL 40 5.317 -1.549 -1.621 303 HG22 VAL 40 2HG2 VAL 40 4.575 -0.274 -0.624 304 HG23 VAL 40 3HG2 VAL 40 3.864 -0.699 -2.199 305 H GLU 41 H GLU 41 4.127 3.462 -4.541 306 HA GLU 41 HA GLU 41 6.789 3.805 -5.679 307 HB2 GLU 41 1HB GLU 41 4.074 4.734 -6.710 308 HB3 GLU 41 2HB GLU 41 5.603 5.162 -7.452 309 HG2 GLU 41 1HG GLU 41 4.257 2.457 -7.310 310 HG3 GLU 41 2HG GLU 41 4.932 3.276 -8.705 311 H GLU 42 H GLU 42 7.418 6.175 -6.078 312 HA GLU 42 HA GLU 42 6.572 7.677 -3.737 313 HB2 GLU 42 1HB GLU 42 8.698 8.865 -3.910 314 HB3 GLU 42 2HB GLU 42 9.003 7.141 -3.947 315 HG2 GLU 42 1HG GLU 42 9.146 7.211 -6.441 316 HG3 GLU 42 2HG GLU 42 8.824 8.934 -6.415 317 H GLY 43 H GLY 43 6.268 7.487 -7.165 318 HA2 GLY 43 1HA GLY 43 6.285 9.913 -8.250 319 HA3 GLY 43 2HA GLY 43 4.975 8.781 -8.519 320 H GLY 44 H GLY 44 3.548 8.700 -6.176 321 HA2 GLY 44 1HA GLY 44 3.122 10.958 -4.701 322 HA3 GLY 44 2HA GLY 44 2.244 11.255 -6.189 323 H TRP 45 H TRP 45 1.641 8.389 -6.727 324 HA TRP 45 HA TRP 45 -0.447 8.083 -4.687 325 HB2 TRP 45 1HB TRP 45 -0.315 7.079 -7.536 326 HB3 TRP 45 2HB TRP 45 -1.609 6.738 -6.404 327 HD1 TRP 45 HD TRP 45 0.035 9.969 -7.892 328 HE1 TRP 45 1HE TRP 45 -1.800 11.812 -8.335 329 HE3 TRP 45 3HE TRP 45 -3.863 7.278 -6.045 330 HZ2 TRP 45 2HZ TRP 45 -4.613 11.935 -7.871 331 HZ3 TRP 45 3HZ TRP 45 -6.122 8.333 -6.077 332 HH2 TRP 45 HH TRP 45 -6.529 10.580 -6.949 333 H TRP 46 H TRP 46 -0.977 5.747 -4.134 334 HA TRP 46 HA TRP 46 1.421 4.060 -4.341 335 HB2 TRP 46 1HB TRP 46 0.238 5.199 -1.975 336 HB3 TRP 46 2HB TRP 46 0.106 3.453 -1.921 337 HD1 TRP 46 HD TRP 46 3.188 4.915 -3.667 338 HE1 TRP 46 1HE TRP 46 5.390 4.470 -2.282 339 HE3 TRP 46 3HE TRP 46 0.845 3.145 0.485 340 HZ2 TRP 46 2HZ TRP 46 5.893 3.450 0.336 341 HZ3 TRP 46 3HZ TRP 46 2.266 2.446 2.411 342 HH2 TRP 46 HH TRP 46 4.706 2.576 2.382 343 H GLU 47 H GLU 47 0.962 2.037 -5.140 344 HA GLU 47 HA GLU 47 -1.853 1.450 -5.499 345 HB2 GLU 47 1HB GLU 47 -0.803 1.257 -7.580 346 HB3 GLU 47 2HB GLU 47 0.687 0.636 -6.898 347 HG2 GLU 47 1HG GLU 47 -0.368 -1.536 -6.425 348 HG3 GLU 47 2HG GLU 47 -1.937 -0.926 -6.915 349 H GLY 48 H GLY 48 -2.863 -0.051 -4.232 350 HA2 GLY 48 1HA GLY 48 -1.236 -2.203 -3.062 351 HA3 GLY 48 2HA GLY 48 -2.177 -1.171 -2.005 352 H THR 49 H THR 49 -3.377 -3.142 -1.378 353 HA THR 49 HA THR 49 -5.598 -3.591 -3.219 354 HB THR 49 HB THR 49 -3.533 -5.596 -2.323 355 HG1 THR 49 1HG THR 49 -5.410 -5.106 -4.524 356 HG21 THR 49 1HG2 THR 49 -5.456 -7.306 -3.047 357 HG22 THR 49 2HG2 THR 49 -5.307 -6.808 -1.345 358 HG23 THR 49 3HG2 THR 49 -6.528 -6.046 -2.391 359 H LEU 50 H LEU 50 -7.559 -3.776 -2.233 360 HA LEU 50 HA LEU 50 -7.460 -3.788 0.704 361 HB2 LEU 50 1HB LEU 50 -8.066 -1.610 -0.087 362 HB3 LEU 50 2HB LEU 50 -9.261 -2.274 -1.184 363 HG LEU 50 HG LEU 50 -10.591 -3.058 0.760 364 HD11 LEU 50 1HD1 LEU 50 -9.944 -2.922 2.909 365 HD12 LEU 50 2HD1 LEU 50 -8.308 -2.858 2.212 366 HD13 LEU 50 3HD1 LEU 50 -9.134 -1.354 2.683 367 HD21 LEU 50 1HD2 LEU 50 -10.179 -0.355 -0.124 368 HD22 LEU 50 2HD2 LEU 50 -11.676 -1.157 0.407 369 HD23 LEU 50 3HD2 LEU 50 -10.622 -0.361 1.599 370 H ASN 51 H ASN 51 -9.628 -4.579 1.672 371 HA ASN 51 HA ASN 51 -9.970 -7.157 1.143 372 HB2 ASN 51 1HB ASN 51 -11.927 -5.054 2.147 373 HB3 ASN 51 2HB ASN 51 -12.449 -6.720 1.997 374 HD21 ASN 51 1HD2 ASN 51 -10.790 -4.430 3.853 375 HD22 ASN 51 2HD2 ASN 51 -10.148 -5.458 5.089 376 H GLY 52 H GLY 52 -10.090 -7.761 -1.095 377 HA2 GLY 52 1HA GLY 52 -11.089 -8.213 -3.057 378 HA3 GLY 52 2HA GLY 52 -12.619 -7.789 -2.315 379 H ARG 53 H ARG 53 -9.843 -5.533 -2.506 380 HA ARG 53 HA ARG 53 -11.246 -4.142 -4.632 381 HB2 ARG 53 1HB ARG 53 -10.858 -3.236 -1.876 382 HB3 ARG 53 2HB ARG 53 -10.046 -2.144 -2.981 383 HG2 ARG 53 1HG ARG 53 -12.821 -3.017 -3.740 384 HG3 ARG 53 2HG ARG 53 -12.684 -1.926 -2.374 385 HD2 ARG 53 1HD ARG 53 -11.265 -0.388 -3.828 386 HD3 ARG 53 2HD ARG 53 -11.591 -1.444 -5.187 387 HE ARG 53 HE ARG 53 -13.458 0.443 -3.959 388 HH11 ARG 53 2HH2 ARG 53 -13.197 -2.497 -5.875 389 HH12 ARG 53 1HH2 ARG 53 -14.761 -2.318 -6.596 390 HH21 ARG 53 2HH1 ARG 53 -15.522 0.680 -4.910 391 HH22 ARG 53 1HH1 ARG 53 -16.093 -0.500 -6.044 392 H THR 54 H THR 54 -9.716 -2.288 -5.540 393 HA THR 54 HA THR 54 -6.912 -2.671 -5.120 394 HB THR 54 HB THR 54 -7.762 -4.640 -6.631 395 HG1 THR 54 1HG THR 54 -5.552 -4.298 -6.738 396 HG21 THR 54 1HG2 THR 54 -8.167 -4.183 -8.920 397 HG22 THR 54 2HG2 THR 54 -9.070 -2.871 -8.125 398 HG23 THR 54 3HG2 THR 54 -7.460 -2.552 -8.814 399 H GLY 55 H GLY 55 -5.643 -1.290 -6.789 400 HA2 GLY 55 1HA GLY 55 -6.110 0.553 -8.422 401 HA3 GLY 55 2HA GLY 55 -7.229 1.169 -7.221 402 H TRP 56 H TRP 56 -5.821 3.149 -7.341 403 HA TRP 56 HA TRP 56 -3.374 2.790 -5.751 404 HB2 TRP 56 1HB TRP 56 -4.088 4.919 -7.775 405 HB3 TRP 56 2HB TRP 56 -2.665 4.951 -6.753 406 HD1 TRP 56 HD TRP 56 -4.143 2.190 -9.120 407 HE1 TRP 56 1HE TRP 56 -2.237 1.167 -10.632 408 HE3 TRP 56 3HE TRP 56 -0.393 5.075 -7.258 409 HZ2 TRP 56 2HZ TRP 56 0.562 1.668 -10.873 410 HZ3 TRP 56 3HZ TRP 56 1.897 4.746 -8.187 411 HH2 TRP 56 HH TRP 56 2.403 3.112 -9.933 412 H PHE 57 H PHE 57 -2.920 4.946 -4.438 413 HA PHE 57 HA PHE 57 -5.075 6.567 -3.719 414 HB2 PHE 57 1HB PHE 57 -5.515 5.556 -1.464 415 HB3 PHE 57 2HB PHE 57 -5.885 4.397 -2.726 416 HD1 PHE 57 2HD PHE 57 -4.362 2.495 -3.146 417 HD2 PHE 57 1HD PHE 57 -3.723 5.174 0.082 418 HE1 PHE 57 2HE PHE 57 -2.812 0.835 -2.075 419 HE2 PHE 57 1HE PHE 57 -2.174 3.514 1.153 420 HZ PHE 57 HZ PHE 57 -1.737 1.365 0.062 421 HA PRO 58 HA PRO 58 -1.788 8.602 -1.769 422 HB2 PRO 58 1HB PRO 58 -3.034 10.166 0.094 423 HB3 PRO 58 2HB PRO 58 -2.969 10.573 -1.609 424 HG2 PRO 58 1HG PRO 58 -5.244 9.522 -0.041 425 HG3 PRO 58 2HG PRO 58 -5.262 10.323 -1.600 426 HD2 PRO 58 1HD PRO 58 -5.555 7.512 -1.110 427 HD3 PRO 58 2HD PRO 58 -5.456 8.299 -2.673 428 H SER 59 H SER 59 -0.232 7.521 -0.742 429 HA SER 59 HA SER 59 -0.973 5.944 1.475 430 HB2 SER 59 1HB SER 59 1.422 5.393 1.598 431 HB3 SER 59 2HB SER 59 0.865 5.316 -0.062 432 HG SER 59 HG SER 59 2.165 6.941 -0.611 433 H ASN 60 H ASN 60 0.070 9.259 0.979 434 HA ASN 60 HA ASN 60 1.281 9.687 3.439 435 HB2 ASN 60 1HB ASN 60 0.854 11.185 1.160 436 HB3 ASN 60 2HB ASN 60 -0.306 11.932 2.240 437 HD21 ASN 60 1HD2 ASN 60 0.346 13.141 3.945 438 HD22 ASN 60 2HD2 ASN 60 1.988 13.585 4.268 439 H TYR 61 H TYR 61 -2.109 9.717 2.260 440 HA TYR 61 HA TYR 61 -3.209 10.958 4.563 441 HB2 TYR 61 1HB TYR 61 -4.151 9.221 2.214 442 HB3 TYR 61 2HB TYR 61 -5.297 9.733 3.438 443 HD1 TYR 61 2HD TYR 61 -2.512 11.472 1.601 444 HD2 TYR 61 1HD TYR 61 -6.659 11.434 2.656 445 HE1 TYR 61 2HE TYR 61 -2.854 13.670 0.371 446 HE2 TYR 61 1HE TYR 61 -6.986 13.631 1.422 447 HH TYR 61 HH TYR 61 -4.506 15.606 0.571 448 H VAL 62 H VAL 62 -3.464 7.535 3.344 449 HA VAL 62 HA VAL 62 -4.547 6.565 5.726 450 HB VAL 62 HB VAL 62 -4.381 4.478 4.744 451 HG11 VAL 62 1HG1 VAL 62 -4.152 6.085 2.210 452 HG12 VAL 62 2HG1 VAL 62 -5.261 4.752 2.613 453 HG13 VAL 62 3HG1 VAL 62 -5.510 6.365 3.325 454 HG21 VAL 62 1HG2 VAL 62 -2.019 5.436 3.092 455 HG22 VAL 62 2HG2 VAL 62 -1.919 4.429 4.556 456 HG23 VAL 62 3HG2 VAL 62 -2.716 3.798 3.095 457 H ARG 63 H ARG 63 -3.622 5.447 7.502 458 HA ARG 63 HA ARG 63 -0.978 6.353 8.064 459 HB2 ARG 63 1HB ARG 63 -3.126 6.079 9.655 460 HB3 ARG 63 2HB ARG 63 -2.497 4.458 9.872 461 HG2 ARG 63 1HG ARG 63 -0.305 6.353 10.085 462 HG3 ARG 63 2HG ARG 63 -1.607 6.872 11.136 463 HD2 ARG 63 1HD ARG 63 -1.070 3.945 11.237 464 HD3 ARG 63 2HD ARG 63 0.270 4.934 11.783 465 HE ARG 63 HE ARG 63 -2.247 5.839 12.922 466 HH11 ARG 63 2HH2 ARG 63 0.287 3.418 13.248 467 HH12 ARG 63 1HH2 ARG 63 -0.004 3.156 14.935 468 HH21 ARG 63 2HH1 ARG 63 -2.631 5.493 15.149 469 HH22 ARG 63 1HH1 ARG 63 -1.675 4.344 16.024 470 H GLU 64 H GLU 64 0.663 4.748 9.061 471 HA GLU 64 HA GLU 64 0.521 2.278 7.520 472 HB2 GLU 64 1HB GLU 64 2.437 3.357 6.738 473 HB3 GLU 64 2HB GLU 64 2.781 4.112 8.281 474 HG2 GLU 64 1HG GLU 64 3.980 2.309 9.053 475 HG3 GLU 64 2HG GLU 64 2.873 1.143 8.356 476 H ILE 65 H ILE 65 0.826 0.277 8.554 477 HA ILE 65 HA ILE 65 0.823 0.445 11.478 478 HB ILE 65 HB ILE 65 -0.076 -1.772 9.633 479 HG12 ILE 65 1HG1 ILE 65 -1.483 0.262 9.509 480 HG13 ILE 65 2HG1 ILE 65 -2.330 -1.128 10.161 481 HG21 ILE 65 1HG2 ILE 65 -1.229 -2.288 12.032 482 HG22 ILE 65 2HG2 ILE 65 0.292 -3.020 11.468 483 HG23 ILE 65 3HG2 ILE 65 0.331 -1.611 12.554 484 HD11 ILE 65 1HD1 ILE 65 -2.893 0.752 11.566 485 HD12 ILE 65 2HD1 ILE 65 -1.765 -0.260 12.501 486 HD13 ILE 65 3HD1 ILE 65 -1.185 1.229 11.717 487 H LYS 66 H LYS 66 2.262 -1.354 8.682 488 HA LYS 66 HA LYS 66 3.967 -2.976 10.050 489 HB2 LYS 66 1HB LYS 66 4.033 -1.664 7.358 490 HB3 LYS 66 2HB LYS 66 5.469 -2.502 7.913 491 HG2 LYS 66 1HG LYS 66 2.682 -3.754 7.902 492 HG3 LYS 66 2HG LYS 66 3.835 -3.945 6.596 493 HD2 LYS 66 1HD LYS 66 4.954 -4.540 9.286 494 HD3 LYS 66 2HD LYS 66 3.650 -5.608 8.807 495 HE2 LYS 66 1HE LYS 66 5.874 -5.007 6.837 496 HE3 LYS 66 2HE LYS 66 6.153 -6.172 8.117 497 HZ1 LYS 66 1HZ LYS 66 4.038 -6.280 6.083 498 HZ2 LYS 66 2HZ LYS 66 5.302 -7.301 6.249 499 HZ3 LYS 66 3HZ LYS 66 4.107 -7.293 7.361 500 H SER 67 H SER 67 5.578 -2.664 11.485 501 HA SER 67 HA SER 67 6.544 0.034 11.773 502 HB2 SER 67 1HB SER 67 6.559 -2.458 13.464 503 HB3 SER 67 2HB SER 67 7.798 -1.257 13.771 504 HG SER 67 HG SER 67 4.934 -0.948 13.931 505 H SER 68 H SER 68 7.389 -2.885 10.178 506 HA SER 68 HA SER 68 10.223 -2.351 10.381 507 HB2 SER 68 1HB SER 68 8.525 -4.665 9.515 508 HB3 SER 68 2HB SER 68 10.075 -4.495 8.716 509 HG SER 68 HG SER 68 10.735 -5.595 10.458 510 H GLU 69 H GLU 69 7.546 -1.419 8.511 511 HA GLU 69 HA GLU 69 9.115 -1.235 6.079 512 HB2 GLU 69 1HB GLU 69 6.153 -0.749 6.618 513 HB3 GLU 69 2HB GLU 69 6.910 -0.531 5.052 514 HG2 GLU 69 1HG GLU 69 6.972 -3.154 6.618 515 HG3 GLU 69 2HG GLU 69 5.794 -2.791 5.373 516 H ARG 70 H ARG 70 7.408 0.730 8.557 517 HA ARG 70 HA ARG 70 7.591 3.157 7.331 518 HB2 ARG 70 1HB ARG 70 6.869 2.159 9.885 519 HB3 ARG 70 2HB ARG 70 8.120 3.339 10.220 520 HG2 ARG 70 1HG ARG 70 6.376 4.465 8.218 521 HG3 ARG 70 2HG ARG 70 5.365 3.807 9.489 522 HD2 ARG 70 1HD ARG 70 6.996 5.031 11.142 523 HD3 ARG 70 2HD ARG 70 7.543 5.917 9.733 524 HE ARG 70 HE ARG 70 5.016 6.272 11.116 525 HH11 ARG 70 2HH2 ARG 70 6.531 6.479 7.946 526 HH12 ARG 70 1HH2 ARG 70 5.401 7.644 7.341 527 HH21 ARG 70 2HH1 ARG 70 3.525 7.808 10.318 528 HH22 ARG 70 1HH1 ARG 70 3.680 8.404 8.699 529 H SER 71 H SER 71 9.926 1.541 9.601 530 HA SER 71 HA SER 71 11.829 3.636 9.058 531 HB2 SER 71 1HB SER 71 11.276 1.939 11.270 532 HB3 SER 71 2HB SER 71 12.849 1.438 10.684 533 HG SER 71 HG SER 71 13.008 4.066 10.632 534 H GLY 72 H GLY 72 10.824 1.262 7.201 535 HA2 GLY 72 1HA GLY 72 13.442 0.764 6.050 536 HA3 GLY 72 2HA GLY 72 12.617 -0.652 6.670 537 HA PRO 73 HA PRO 73 10.016 1.110 3.100 538 HB2 PRO 73 1HB PRO 73 11.081 3.083 1.537 539 HB3 PRO 73 2HB PRO 73 9.976 3.400 2.860 540 HG2 PRO 73 1HG PRO 73 12.900 3.819 2.747 541 HG3 PRO 73 2HG PRO 73 11.735 4.505 3.861 542 HD2 PRO 73 1HD PRO 73 13.562 2.360 4.395 543 HD3 PRO 73 2HD PRO 73 12.319 2.969 5.469 544 H SER 74 H SER 74 11.452 -1.072 3.098 545 HA SER 74 HA SER 74 11.642 -1.654 0.430 546 HB2 SER 74 1HB SER 74 13.885 -0.162 1.201 547 HB3 SER 74 2HB SER 74 14.462 -1.815 1.282 548 HG SER 74 HG SER 74 14.274 -2.049 -0.871 549 H SER 75 H SER 75 11.268 -3.843 0.428 550 HA SER 75 HA SER 75 12.681 -5.441 2.366 551 HB2 SER 75 1HB SER 75 10.569 -4.893 3.514 552 HB3 SER 75 2HB SER 75 9.641 -5.416 2.122 553 HG SER 75 HG SER 75 10.796 -7.575 2.475 554 H GLY 76 H GLY 76 13.039 -7.598 1.624 555 HA2 GLY 76 1HA GLY 76 11.670 -8.983 -0.299 556 HA3 GLY 76 2HA GLY 76 12.775 -7.968 -1.204 Start of MODEL 12 1 H1 GLY 1 H GLY 1 2.326 -30.557 -9.188 2 HA2 GLY 1 1HA GLY 1 2.913 -30.039 -6.914 3 HA3 GLY 1 2HA GLY 1 3.269 -31.726 -7.226 4 H SER 2 H SER 2 4.718 -28.421 -7.179 5 HA SER 2 HA SER 2 7.069 -29.536 -6.022 6 HB2 SER 2 1HB SER 2 7.858 -29.878 -8.217 7 HB3 SER 2 2HB SER 2 7.051 -28.454 -8.842 8 HG SER 2 HG SER 2 9.167 -28.226 -6.898 9 H SER 3 H SER 3 7.802 -28.077 -4.500 10 HA SER 3 HA SER 3 7.094 -25.289 -4.968 11 HB2 SER 3 1HB SER 3 6.991 -26.731 -2.281 12 HB3 SER 3 2HB SER 3 6.617 -25.040 -2.551 13 HG SER 3 HG SER 3 5.051 -26.245 -4.276 14 H GLY 4 H GLY 4 8.697 -23.759 -4.359 15 HA2 GLY 4 1HA GLY 4 11.009 -24.614 -2.843 16 HA3 GLY 4 2HA GLY 4 11.319 -24.337 -4.546 17 H SER 5 H SER 5 10.401 -22.853 -1.451 18 HA SER 5 HA SER 5 10.491 -20.811 -0.723 19 HB2 SER 5 1HB SER 5 12.432 -20.786 -2.936 20 HB3 SER 5 2HB SER 5 11.753 -19.197 -2.646 21 HG SER 5 HG SER 5 13.434 -19.262 -1.220 22 H SER 6 H SER 6 9.306 -18.779 -0.848 23 HA SER 6 HA SER 6 8.215 -17.806 -3.181 24 HB2 SER 6 1HB SER 6 6.925 -20.129 -2.667 25 HB3 SER 6 2HB SER 6 5.971 -19.078 -1.640 26 HG SER 6 HG SER 6 4.913 -18.665 -3.466 27 H GLY 7 H GLY 7 6.359 -16.157 -2.627 28 HA2 GLY 7 1HA GLY 7 5.310 -15.213 -0.506 29 HA3 GLY 7 2HA GLY 7 6.968 -15.026 0.029 30 H SER 8 H SER 8 4.870 -12.948 -0.525 31 HA SER 8 HA SER 8 6.475 -11.428 -2.411 32 HB2 SER 8 1HB SER 8 4.018 -12.403 -3.129 33 HB3 SER 8 2HB SER 8 3.538 -10.878 -2.411 34 HG SER 8 HG SER 8 5.676 -10.343 -3.963 35 H HIS 9 H HIS 9 6.746 -9.221 -1.837 36 HA HIS 9 HA HIS 9 6.444 -8.608 0.854 37 HB2 HIS 9 1HB HIS 9 7.517 -6.637 0.358 38 HB3 HIS 9 2HB HIS 9 8.031 -7.658 -0.971 39 HD1 HIS 9 1HD HIS 9 6.730 -7.272 -3.320 40 HD2 HIS 9 2HD HIS 9 6.186 -4.329 -0.382 41 HE1 HIS 9 1HE HIS 9 5.797 -5.224 -4.524 42 H GLN 10 H GLN 10 5.224 -6.600 1.691 43 HA GLN 10 HA GLN 10 2.975 -5.717 0.325 44 HB2 GLN 10 1HB GLN 10 2.461 -8.246 1.079 45 HB3 GLN 10 2HB GLN 10 2.078 -7.470 2.602 46 HG2 GLN 10 1HG GLN 10 0.089 -6.751 1.788 47 HG3 GLN 10 2HG GLN 10 0.889 -5.910 0.476 48 HE21 GLN 10 1HE2 GLN 10 -1.449 -7.989 1.055 49 HE22 GLN 10 2HE2 GLN 10 -1.398 -9.024 -0.333 50 H LEU 11 H LEU 11 2.100 -3.902 1.387 51 HA LEU 11 HA LEU 11 3.268 -3.380 4.031 52 HB2 LEU 11 1HB LEU 11 3.696 -1.990 1.714 53 HB3 LEU 11 2HB LEU 11 2.374 -1.087 2.424 54 HG LEU 11 HG LEU 11 5.034 -1.682 3.750 55 HD11 LEU 11 1HD1 LEU 11 3.948 0.683 2.264 56 HD12 LEU 11 2HD1 LEU 11 5.078 0.938 3.616 57 HD13 LEU 11 3HD1 LEU 11 5.569 -0.052 2.221 58 HD21 LEU 11 1HD2 LEU 11 2.872 0.146 4.801 59 HD22 LEU 11 2HD2 LEU 11 3.006 -1.564 5.277 60 HD23 LEU 11 3HD2 LEU 11 4.338 -0.435 5.626 61 H ILE 12 H ILE 12 1.849 -3.300 5.684 62 HA ILE 12 HA ILE 12 -0.976 -3.158 4.992 63 HB ILE 12 HB ILE 12 0.540 -4.021 7.446 64 HG12 ILE 12 1HG1 ILE 12 -1.268 -5.986 6.642 65 HG13 ILE 12 2HG1 ILE 12 -0.642 -5.352 5.133 66 HG21 ILE 12 1HG2 ILE 12 -2.454 -3.679 7.129 67 HG22 ILE 12 2HG2 ILE 12 -1.654 -4.548 8.462 68 HG23 ILE 12 3HG2 ILE 12 -1.384 -2.801 8.249 69 HD11 ILE 12 1HD1 ILE 12 1.680 -5.702 5.903 70 HD12 ILE 12 2HD1 ILE 12 1.083 -6.267 7.482 71 HD13 ILE 12 3HD1 ILE 12 0.757 -7.221 6.014 72 H VAL 13 H VAL 13 -1.899 -1.186 4.919 73 HA VAL 13 HA VAL 13 -1.164 0.690 7.041 74 HB VAL 13 HB VAL 13 -1.089 2.517 5.456 75 HG11 VAL 13 1HG1 VAL 13 0.916 0.823 5.943 76 HG12 VAL 13 2HG1 VAL 13 0.782 0.561 4.187 77 HG13 VAL 13 3HG1 VAL 13 1.087 2.195 4.822 78 HG21 VAL 13 1HG2 VAL 13 -0.829 1.117 2.963 79 HG22 VAL 13 2HG2 VAL 13 -2.383 0.682 3.712 80 HG23 VAL 13 3HG2 VAL 13 -1.984 2.391 3.419 81 H LYS 14 H LYS 14 -2.903 1.823 7.891 82 HA LYS 14 HA LYS 14 -5.499 0.940 6.905 83 HB2 LYS 14 1HB LYS 14 -4.772 0.721 9.337 84 HB3 LYS 14 2HB LYS 14 -4.893 2.466 9.448 85 HG2 LYS 14 1HG LYS 14 -7.044 1.847 10.115 86 HG3 LYS 14 2HG LYS 14 -7.303 2.104 8.401 87 HD2 LYS 14 1HD LYS 14 -8.281 0.003 8.637 88 HD3 LYS 14 2HD LYS 14 -6.650 -0.473 8.212 89 HE2 LYS 14 1HE LYS 14 -6.083 -1.024 10.462 90 HE3 LYS 14 2HE LYS 14 -7.394 -0.072 11.128 91 HZ1 LYS 14 1HZ LYS 14 -7.425 -2.748 10.223 92 HZ2 LYS 14 2HZ LYS 14 -8.510 -1.959 11.154 93 HZ3 LYS 14 3HZ LYS 14 -8.620 -1.879 9.527 94 H ALA 15 H ALA 15 -7.110 2.356 6.179 95 HA ALA 15 HA ALA 15 -6.170 4.701 4.934 96 HB1 ALA 15 1HB ALA 15 -7.951 3.582 3.874 97 HB2 ALA 15 2HB ALA 15 -8.870 3.412 5.388 98 HB3 ALA 15 3HB ALA 15 -8.733 5.004 4.604 99 H ARG 16 H ARG 16 -6.603 6.915 5.407 100 HA ARG 16 HA ARG 16 -6.593 7.442 8.164 101 HB2 ARG 16 1HB ARG 16 -5.428 8.794 6.318 102 HB3 ARG 16 2HB ARG 16 -6.999 9.436 5.882 103 HG2 ARG 16 1HG ARG 16 -7.278 10.439 8.103 104 HG3 ARG 16 2HG ARG 16 -5.828 9.651 8.694 105 HD2 ARG 16 1HD ARG 16 -4.589 10.926 6.763 106 HD3 ARG 16 2HD ARG 16 -6.038 11.907 6.662 107 HE ARG 16 HE ARG 16 -5.029 11.651 9.397 108 HH11 ARG 16 2HH2 ARG 16 -4.753 13.460 6.391 109 HH12 ARG 16 1HH2 ARG 16 -4.114 14.877 7.155 110 HH21 ARG 16 2HH1 ARG 16 -4.186 13.521 10.404 111 HH22 ARG 16 1HH1 ARG 16 -3.790 14.912 9.452 112 H PHE 17 H PHE 17 -8.805 8.682 5.541 113 HA PHE 17 HA PHE 17 -11.074 8.163 7.269 114 HB2 PHE 17 1HB PHE 17 -11.809 10.538 7.048 115 HB3 PHE 17 2HB PHE 17 -10.222 10.491 7.789 116 HD1 PHE 17 1HD PHE 17 -12.101 11.371 4.777 117 HD2 PHE 17 2HD PHE 17 -8.262 11.276 6.586 118 HE1 PHE 17 1HE PHE 17 -11.224 12.910 2.999 119 HE2 PHE 17 2HE PHE 17 -7.387 12.817 4.808 120 HZ PHE 17 HZ PHE 17 -8.879 13.615 3.035 121 H ASN 18 H ASN 18 -13.065 9.453 5.843 122 HA ASN 18 HA ASN 18 -13.495 7.746 3.775 123 HB2 ASN 18 1HB ASN 18 -14.586 10.602 3.907 124 HB3 ASN 18 2HB ASN 18 -15.361 9.217 3.165 125 HD21 ASN 18 1HD2 ASN 18 -16.914 8.339 4.280 126 HD22 ASN 18 2HD2 ASN 18 -17.085 8.297 6.003 127 H PHE 19 H PHE 19 -12.308 7.584 1.865 128 HA PHE 19 HA PHE 19 -11.472 10.107 0.620 129 HB2 PHE 19 1HB PHE 19 -9.467 9.060 1.487 130 HB3 PHE 19 2HB PHE 19 -10.065 7.448 1.147 131 HD1 PHE 19 1HD PHE 19 -8.552 10.453 -0.329 132 HD2 PHE 19 2HD PHE 19 -9.776 6.449 -1.020 133 HE1 PHE 19 1HE PHE 19 -7.269 10.433 -2.487 134 HE2 PHE 19 2HE PHE 19 -8.494 6.428 -3.178 135 HZ PHE 19 HZ PHE 19 -7.256 8.420 -3.885 136 H LYS 20 H LYS 20 -13.123 10.224 -0.923 137 HA LYS 20 HA LYS 20 -14.076 7.971 -2.305 138 HB2 LYS 20 1HB LYS 20 -15.283 10.141 -1.959 139 HB3 LYS 20 2HB LYS 20 -14.210 10.887 -3.126 140 HG2 LYS 20 1HG LYS 20 -14.961 8.801 -4.645 141 HG3 LYS 20 2HG LYS 20 -16.346 8.801 -3.572 142 HD2 LYS 20 1HD LYS 20 -15.382 11.300 -5.032 143 HD3 LYS 20 2HD LYS 20 -16.589 10.217 -5.695 144 HE2 LYS 20 1HE LYS 20 -18.232 10.984 -4.292 145 HE3 LYS 20 2HE LYS 20 -17.169 11.003 -2.899 146 HZ1 LYS 20 1HZ LYS 20 -16.507 13.105 -3.350 147 HZ2 LYS 20 2HZ LYS 20 -16.726 12.990 -4.963 148 HZ3 LYS 20 3HZ LYS 20 -18.012 13.190 -3.976 149 H GLN 21 H GLN 21 -13.403 6.943 -4.147 150 HA GLN 21 HA GLN 21 -10.779 7.578 -5.021 151 HB2 GLN 21 1HB GLN 21 -10.916 5.544 -6.300 152 HB3 GLN 21 2HB GLN 21 -11.720 5.234 -4.774 153 HG2 GLN 21 1HG GLN 21 -13.925 5.893 -5.980 154 HG3 GLN 21 2HG GLN 21 -13.016 5.790 -7.474 155 HE21 GLN 21 1HE2 GLN 21 -11.273 3.700 -6.819 156 HE22 GLN 21 2HE2 GLN 21 -12.159 2.216 -6.706 157 H THR 22 H THR 22 -10.118 8.366 -7.076 158 HA THR 22 HA THR 22 -12.038 10.074 -8.345 159 HB THR 22 HB THR 22 -10.024 10.730 -9.677 160 HG1 THR 22 1HG THR 22 -8.078 9.431 -9.171 161 HG21 THR 22 1HG2 THR 22 -9.897 11.870 -7.592 162 HG22 THR 22 2HG2 THR 22 -9.716 10.354 -6.675 163 HG23 THR 22 3HG2 THR 22 -8.355 10.980 -7.637 164 H ASN 23 H ASN 23 -11.264 6.760 -8.620 165 HA ASN 23 HA ASN 23 -12.871 6.644 -10.974 166 HB2 ASN 23 1HB ASN 23 -10.051 5.447 -11.011 167 HB3 ASN 23 2HB ASN 23 -11.231 5.328 -12.301 168 HD21 ASN 23 1HD2 ASN 23 -12.082 7.408 -13.161 169 HD22 ASN 23 2HD2 ASN 23 -10.978 8.725 -13.376 170 H GLU 24 H GLU 24 -13.675 4.398 -11.300 171 HA GLU 24 HA GLU 24 -13.895 3.004 -8.890 172 HB2 GLU 24 1HB GLU 24 -15.029 1.256 -10.392 173 HB3 GLU 24 2HB GLU 24 -15.731 2.862 -10.398 174 HG2 GLU 24 1HG GLU 24 -15.341 3.094 -12.621 175 HG3 GLU 24 2HG GLU 24 -13.637 2.744 -12.409 176 H ASP 25 H ASP 25 -11.341 3.176 -11.104 177 HA ASP 25 HA ASP 25 -10.589 0.421 -10.844 178 HB2 ASP 25 1HB ASP 25 -10.120 1.536 -12.965 179 HB3 ASP 25 2HB ASP 25 -9.293 2.851 -12.153 180 H GLU 26 H GLU 26 -9.904 3.653 -9.503 181 HA GLU 26 HA GLU 26 -7.462 2.944 -8.297 182 HB2 GLU 26 1HB GLU 26 -8.860 5.305 -8.766 183 HB3 GLU 26 2HB GLU 26 -8.983 5.141 -7.027 184 HG2 GLU 26 1HG GLU 26 -6.517 4.891 -6.851 185 HG3 GLU 26 2HG GLU 26 -6.365 4.971 -8.595 186 H LEU 27 H LEU 27 -7.351 3.430 -5.703 187 HA LEU 27 HA LEU 27 -8.995 1.346 -4.572 188 HB2 LEU 27 1HB LEU 27 -6.402 2.105 -4.239 189 HB3 LEU 27 2HB LEU 27 -7.152 2.870 -2.851 190 HG LEU 27 HG LEU 27 -6.376 0.767 -2.114 191 HD11 LEU 27 1HD1 LEU 27 -9.143 1.383 -2.112 192 HD12 LEU 27 2HD1 LEU 27 -8.992 -0.379 -2.317 193 HD13 LEU 27 3HD1 LEU 27 -8.218 0.425 -0.930 194 HD21 LEU 27 1HD2 LEU 27 -6.358 -0.092 -4.609 195 HD22 LEU 27 2HD2 LEU 27 -6.419 -1.226 -3.239 196 HD23 LEU 27 3HD2 LEU 27 -7.907 -0.825 -4.130 197 H SER 28 H SER 28 -10.837 1.647 -3.429 198 HA SER 28 HA SER 28 -11.411 4.409 -2.697 199 HB2 SER 28 1HB SER 28 -13.854 3.269 -2.585 200 HB3 SER 28 2HB SER 28 -13.194 3.936 -4.065 201 HG SER 28 HG SER 28 -13.571 1.226 -3.305 202 H VAL 29 H VAL 29 -10.986 4.723 -0.536 203 HA VAL 29 HA VAL 29 -11.795 2.558 1.281 204 HB VAL 29 HB VAL 29 -9.987 3.828 2.744 205 HG11 VAL 29 1HG1 VAL 29 -9.914 1.458 2.249 206 HG12 VAL 29 2HG1 VAL 29 -9.367 1.783 0.587 207 HG13 VAL 29 3HG1 VAL 29 -8.306 2.165 1.965 208 HG21 VAL 29 1HG2 VAL 29 -9.428 5.563 1.165 209 HG22 VAL 29 2HG2 VAL 29 -8.035 4.464 1.314 210 HG23 VAL 29 3HG2 VAL 29 -9.101 4.363 -0.109 211 H CYS 30 H CYS 30 -12.802 3.194 3.273 212 HA CYS 30 HA CYS 30 -13.897 5.905 3.110 213 HB2 CYS 30 1HB CYS 30 -15.414 3.768 2.957 214 HB3 CYS 30 2HB CYS 30 -15.193 3.698 4.694 215 HG CYS 30 HG CYS 30 -16.981 5.548 2.849 216 H LYS 31 H LYS 31 -13.386 3.306 5.617 217 HA LYS 31 HA LYS 31 -11.492 4.830 7.049 218 HB2 LYS 31 1HB LYS 31 -14.237 5.501 7.545 219 HB3 LYS 31 2HB LYS 31 -13.596 4.701 8.966 220 HG2 LYS 31 1HG LYS 31 -11.484 6.347 8.351 221 HG3 LYS 31 2HG LYS 31 -12.812 7.314 7.743 222 HD2 LYS 31 1HD LYS 31 -12.665 8.010 9.993 223 HD3 LYS 31 2HD LYS 31 -13.962 6.831 10.046 224 HE2 LYS 31 1HE LYS 31 -12.069 5.086 10.579 225 HE3 LYS 31 2HE LYS 31 -11.075 6.484 10.935 226 HZ1 LYS 31 1HZ LYS 31 -12.707 5.338 12.676 227 HZ2 LYS 31 2HZ LYS 31 -12.223 6.894 12.783 228 HZ3 LYS 31 3HZ LYS 31 -13.677 6.534 12.133 229 H GLY 32 H GLY 32 -10.495 3.563 8.672 230 HA2 GLY 32 1HA GLY 32 -9.797 1.614 9.552 231 HA3 GLY 32 2HA GLY 32 -11.488 1.325 9.908 232 H ASP 33 H ASP 33 -9.261 1.275 7.026 233 HA ASP 33 HA ASP 33 -10.270 -1.380 6.479 234 HB2 ASP 33 1HB ASP 33 -10.267 0.971 4.541 235 HB3 ASP 33 2HB ASP 33 -10.296 -0.687 3.975 236 H ILE 34 H ILE 34 -8.186 -2.268 6.970 237 HA ILE 34 HA ILE 34 -5.766 -1.098 6.298 238 HB ILE 34 HB ILE 34 -6.749 -3.646 7.311 239 HG12 ILE 34 1HG1 ILE 34 -5.783 -2.115 8.828 240 HG13 ILE 34 2HG1 ILE 34 -4.628 -3.422 8.663 241 HG21 ILE 34 1HG2 ILE 34 -5.659 -4.518 5.296 242 HG22 ILE 34 2HG2 ILE 34 -4.160 -3.664 5.733 243 HG23 ILE 34 3HG2 ILE 34 -4.774 -4.973 6.771 244 HD11 ILE 34 1HD1 ILE 34 -3.837 -1.701 6.628 245 HD12 ILE 34 2HD1 ILE 34 -4.369 -0.578 7.903 246 HD13 ILE 34 3HD1 ILE 34 -3.104 -1.781 8.248 247 H ILE 35 H ILE 35 -4.395 -1.197 4.519 248 HA ILE 35 HA ILE 35 -5.487 -2.612 2.190 249 HB ILE 35 HB ILE 35 -4.150 0.094 2.138 250 HG12 ILE 35 1HG1 ILE 35 -6.966 0.018 1.374 251 HG13 ILE 35 2HG1 ILE 35 -6.733 -0.458 3.044 252 HG21 ILE 35 1HG2 ILE 35 -4.649 0.161 -0.159 253 HG22 ILE 35 2HG2 ILE 35 -3.980 -1.463 0.126 254 HG23 ILE 35 3HG2 ILE 35 -5.737 -1.243 -0.055 255 HD11 ILE 35 1HD1 ILE 35 -5.091 1.656 3.082 256 HD12 ILE 35 2HD1 ILE 35 -6.097 2.165 1.706 257 HD13 ILE 35 3HD1 ILE 35 -6.848 1.856 3.289 258 H TYR 36 H TYR 36 -3.906 -3.466 0.713 259 HA TYR 36 HA TYR 36 -1.294 -3.804 2.013 260 HB2 TYR 36 1HB TYR 36 -2.888 -5.378 -0.107 261 HB3 TYR 36 2HB TYR 36 -1.309 -5.868 0.474 262 HD1 TYR 36 2HD TYR 36 -1.368 -5.671 3.321 263 HD2 TYR 36 1HD TYR 36 -4.544 -6.788 0.682 264 HE1 TYR 36 2HE TYR 36 -2.473 -6.985 5.195 265 HE2 TYR 36 1HE TYR 36 -5.639 -8.099 2.566 266 HH TYR 36 HH TYR 36 -4.374 -9.242 4.933 267 H VAL 37 H VAL 37 0.235 -2.464 1.181 268 HA VAL 37 HA VAL 37 -0.047 -1.469 -1.499 269 HB VAL 37 HB VAL 37 2.243 -1.127 0.440 270 HG11 VAL 37 1HG1 VAL 37 1.293 0.869 -1.611 271 HG12 VAL 37 2HG1 VAL 37 2.881 0.733 -0.820 272 HG13 VAL 37 3HG1 VAL 37 2.400 -0.450 -2.060 273 HG21 VAL 37 1HG2 VAL 37 -0.426 -0.397 0.895 274 HG22 VAL 37 2HG2 VAL 37 1.015 0.200 1.753 275 HG23 VAL 37 3HG2 VAL 37 0.376 1.097 0.355 276 H THR 38 H THR 38 0.680 -2.479 -3.294 277 HA THR 38 HA THR 38 2.722 -4.563 -2.909 278 HB THR 38 HB THR 38 0.691 -5.521 -3.777 279 HG1 THR 38 1HG THR 38 1.435 -5.771 -6.127 280 HG21 THR 38 1HG2 THR 38 -0.507 -3.452 -4.467 281 HG22 THR 38 2HG2 THR 38 0.684 -3.186 -5.763 282 HG23 THR 38 3HG2 THR 38 -0.413 -4.587 -5.835 283 H ARG 39 H ARG 39 1.732 -1.778 -4.974 284 HA ARG 39 HA ARG 39 4.035 -1.968 -6.554 285 HB2 ARG 39 1HB ARG 39 1.992 -0.823 -7.345 286 HB3 ARG 39 2HB ARG 39 2.102 0.350 -6.048 287 HG2 ARG 39 1HG ARG 39 3.594 1.624 -7.200 288 HG3 ARG 39 2HG ARG 39 4.617 0.243 -7.545 289 HD2 ARG 39 1HD ARG 39 2.024 0.737 -9.071 290 HD3 ARG 39 2HD ARG 39 3.542 1.457 -9.574 291 HE ARG 39 HE ARG 39 3.856 -1.391 -9.138 292 HH11 ARG 39 2HH2 ARG 39 2.601 0.959 -11.437 293 HH12 ARG 39 1HH2 ARG 39 2.789 -0.088 -12.803 294 HH21 ARG 39 2HH1 ARG 39 4.104 -2.772 -10.940 295 HH22 ARG 39 1HH1 ARG 39 3.648 -2.224 -12.519 296 H VAL 40 H VAL 40 3.052 0.776 -4.367 297 HA VAL 40 HA VAL 40 4.199 1.904 -2.830 298 HB VAL 40 HB VAL 40 6.522 0.030 -3.293 299 HG11 VAL 40 1HG1 VAL 40 6.170 0.948 -0.581 300 HG12 VAL 40 2HG1 VAL 40 7.558 1.163 -1.675 301 HG13 VAL 40 3HG1 VAL 40 6.223 2.341 -1.689 302 HG21 VAL 40 1HG2 VAL 40 4.523 -0.348 -1.079 303 HG22 VAL 40 2HG2 VAL 40 4.190 -1.006 -2.698 304 HG23 VAL 40 3HG2 VAL 40 5.644 -1.520 -1.810 305 H GLU 41 H GLU 41 3.959 3.514 -4.603 306 HA GLU 41 HA GLU 41 6.451 3.946 -6.028 307 HB2 GLU 41 1HB GLU 41 3.606 4.916 -6.443 308 HB3 GLU 41 2HB GLU 41 4.947 5.715 -7.238 309 HG2 GLU 41 1HG GLU 41 5.151 2.796 -7.503 310 HG3 GLU 41 2HG GLU 41 3.614 3.379 -8.110 311 H GLU 42 H GLU 42 7.504 6.046 -5.997 312 HA GLU 42 HA GLU 42 6.923 7.443 -3.520 313 HB2 GLU 42 1HB GLU 42 9.211 8.307 -3.668 314 HB3 GLU 42 2HB GLU 42 9.228 6.562 -3.844 315 HG2 GLU 42 1HG GLU 42 9.822 6.645 -6.092 316 HG3 GLU 42 2HG GLU 42 8.970 8.150 -6.379 317 H GLY 43 H GLY 43 6.062 7.613 -6.720 318 HA2 GLY 43 1HA GLY 43 6.592 10.248 -7.496 319 HA3 GLY 43 2HA GLY 43 5.278 9.235 -8.062 320 H GLY 44 H GLY 44 3.814 8.787 -5.673 321 HA2 GLY 44 1HA GLY 44 3.291 10.794 -3.949 322 HA3 GLY 44 2HA GLY 44 2.507 11.352 -5.414 323 H TRP 45 H TRP 45 1.941 8.563 -6.401 324 HA TRP 45 HA TRP 45 -0.358 8.081 -4.655 325 HB2 TRP 45 1HB TRP 45 0.174 7.291 -7.524 326 HB3 TRP 45 2HB TRP 45 -1.249 6.836 -6.608 327 HD1 TRP 45 HD TRP 45 0.471 10.129 -7.818 328 HE1 TRP 45 1HE TRP 45 -1.334 11.999 -8.279 329 HE3 TRP 45 3HE TRP 45 -3.519 7.413 -6.217 330 HZ2 TRP 45 2HZ TRP 45 -4.163 12.130 -7.930 331 HZ3 TRP 45 3HZ TRP 45 -5.767 8.486 -6.310 332 HH2 TRP 45 HH TRP 45 -6.124 10.762 -7.129 333 H TRP 46 H TRP 46 -0.915 5.764 -4.219 334 HA TRP 46 HA TRP 46 1.433 4.013 -4.360 335 HB2 TRP 46 1HB TRP 46 0.190 5.122 -1.982 336 HB3 TRP 46 2HB TRP 46 0.125 3.371 -1.979 337 HD1 TRP 46 HD TRP 46 3.172 4.991 -3.643 338 HE1 TRP 46 1HE TRP 46 5.371 4.595 -2.239 339 HE3 TRP 46 3HE TRP 46 0.844 3.036 0.434 340 HZ2 TRP 46 2HZ TRP 46 5.878 3.532 0.361 341 HZ3 TRP 46 3HZ TRP 46 2.265 2.344 2.362 342 HH2 TRP 46 HH TRP 46 4.699 2.566 2.370 343 H GLU 47 H GLU 47 0.913 1.949 -5.059 344 HA GLU 47 HA GLU 47 -1.936 1.484 -5.442 345 HB2 GLU 47 1HB GLU 47 -1.066 1.327 -7.581 346 HB3 GLU 47 2HB GLU 47 0.515 0.815 -7.025 347 HG2 GLU 47 1HG GLU 47 -0.394 -1.442 -6.473 348 HG3 GLU 47 2HG GLU 47 -1.990 -0.934 -6.988 349 H GLY 48 H GLY 48 -2.864 0.071 -4.031 350 HA2 GLY 48 1HA GLY 48 -1.226 -2.199 -3.093 351 HA3 GLY 48 2HA GLY 48 -2.135 -1.211 -1.967 352 H THR 49 H THR 49 -3.423 -3.061 -1.327 353 HA THR 49 HA THR 49 -5.637 -3.512 -3.167 354 HB THR 49 HB THR 49 -3.567 -5.519 -2.331 355 HG1 THR 49 1HG THR 49 -5.640 -5.337 -4.399 356 HG21 THR 49 1HG2 THR 49 -5.604 -6.362 -1.125 357 HG22 THR 49 2HG2 THR 49 -6.543 -6.192 -2.628 358 HG23 THR 49 3HG2 THR 49 -5.216 -7.376 -2.536 359 H LEU 50 H LEU 50 -7.578 -3.521 -2.171 360 HA LEU 50 HA LEU 50 -7.471 -3.520 0.764 361 HB2 LEU 50 1HB LEU 50 -8.128 -1.391 -0.110 362 HB3 LEU 50 2HB LEU 50 -9.314 -2.122 -1.172 363 HG LEU 50 HG LEU 50 -10.619 -2.855 0.807 364 HD11 LEU 50 1HD1 LEU 50 -8.956 -1.071 2.554 365 HD12 LEU 50 2HD1 LEU 50 -10.062 -2.394 2.995 366 HD13 LEU 50 3HD1 LEU 50 -8.470 -2.763 2.291 367 HD21 LEU 50 1HD2 LEU 50 -11.594 -0.965 0.034 368 HD22 LEU 50 2HD2 LEU 50 -11.029 -0.323 1.596 369 HD23 LEU 50 3HD2 LEU 50 -10.089 -0.016 0.116 370 H ASN 51 H ASN 51 -9.611 -4.320 1.782 371 HA ASN 51 HA ASN 51 -9.901 -6.926 1.346 372 HB2 ASN 51 1HB ASN 51 -11.874 -4.828 2.326 373 HB3 ASN 51 2HB ASN 51 -12.375 -6.504 2.228 374 HD21 ASN 51 1HD2 ASN 51 -10.392 -4.166 3.820 375 HD22 ASN 51 2HD2 ASN 51 -9.826 -5.146 5.130 376 H GLY 52 H GLY 52 -10.031 -7.571 -0.888 377 HA2 GLY 52 1HA GLY 52 -11.078 -8.131 -2.798 378 HA3 GLY 52 2HA GLY 52 -12.596 -7.676 -2.053 379 H ARG 53 H ARG 53 -9.787 -5.471 -2.433 380 HA ARG 53 HA ARG 53 -11.214 -4.166 -4.589 381 HB2 ARG 53 1HB ARG 53 -10.860 -3.131 -1.876 382 HB3 ARG 53 2HB ARG 53 -10.043 -2.084 -3.020 383 HG2 ARG 53 1HG ARG 53 -12.762 -2.983 -3.866 384 HG3 ARG 53 2HG ARG 53 -12.737 -1.957 -2.446 385 HD2 ARG 53 1HD ARG 53 -11.778 -0.130 -3.611 386 HD3 ARG 53 2HD ARG 53 -11.104 -1.149 -4.867 387 HE ARG 53 HE ARG 53 -13.829 -0.081 -4.758 388 HH11 ARG 53 2HH2 ARG 53 -11.786 -2.615 -6.096 389 HH12 ARG 53 1HH2 ARG 53 -12.829 -2.919 -7.446 390 HH21 ARG 53 2HH1 ARG 53 -15.204 -0.482 -6.538 391 HH22 ARG 53 1HH1 ARG 53 -14.786 -1.699 -7.698 392 H THR 54 H THR 54 -9.690 -2.326 -5.554 393 HA THR 54 HA THR 54 -6.885 -2.683 -5.106 394 HB THR 54 HB THR 54 -8.331 -4.139 -7.295 395 HG1 THR 54 1HG THR 54 -5.661 -4.291 -6.098 396 HG21 THR 54 1HG2 THR 54 -6.966 -2.339 -8.514 397 HG22 THR 54 2HG2 THR 54 -5.525 -2.988 -7.696 398 HG23 THR 54 3HG2 THR 54 -6.440 -4.009 -8.831 399 H GLY 55 H GLY 55 -5.587 -1.283 -6.648 400 HA2 GLY 55 1HA GLY 55 -6.058 0.493 -8.394 401 HA3 GLY 55 2HA GLY 55 -7.188 1.132 -7.216 402 H TRP 56 H TRP 56 -5.849 3.125 -7.272 403 HA TRP 56 HA TRP 56 -3.365 2.804 -5.733 404 HB2 TRP 56 1HB TRP 56 -4.174 4.931 -7.722 405 HB3 TRP 56 2HB TRP 56 -2.749 5.017 -6.705 406 HD1 TRP 56 HD TRP 56 -4.150 2.338 -9.207 407 HE1 TRP 56 1HE TRP 56 -2.197 1.362 -10.690 408 HE3 TRP 56 3HE TRP 56 -0.443 5.071 -7.053 409 HZ2 TRP 56 2HZ TRP 56 0.615 1.834 -10.795 410 HZ3 TRP 56 3HZ TRP 56 1.879 4.754 -7.906 411 HH2 TRP 56 HH TRP 56 2.435 3.202 -9.710 412 H PHE 57 H PHE 57 -2.961 5.063 -4.482 413 HA PHE 57 HA PHE 57 -5.120 6.586 -3.675 414 HB2 PHE 57 1HB PHE 57 -5.547 5.528 -1.437 415 HB3 PHE 57 2HB PHE 57 -5.915 4.395 -2.722 416 HD1 PHE 57 1HD PHE 57 -3.203 5.348 -0.361 417 HD2 PHE 57 2HD PHE 57 -4.929 2.283 -2.734 418 HE1 PHE 57 1HE PHE 57 -1.643 3.673 0.668 419 HE2 PHE 57 2HE PHE 57 -3.369 0.607 -1.705 420 HZ PHE 57 HZ PHE 57 -1.744 1.322 -0.016 421 HA PRO 58 HA PRO 58 -1.842 8.609 -1.698 422 HB2 PRO 58 1HB PRO 58 -3.100 10.149 0.176 423 HB3 PRO 58 2HB PRO 58 -3.029 10.574 -1.523 424 HG2 PRO 58 1HG PRO 58 -5.307 9.500 0.025 425 HG3 PRO 58 2HG PRO 58 -5.321 10.318 -1.525 426 HD2 PRO 58 1HD PRO 58 -5.608 7.501 -1.068 427 HD3 PRO 58 2HD PRO 58 -5.505 8.306 -2.622 428 H SER 59 H SER 59 -0.344 7.366 -0.742 429 HA SER 59 HA SER 59 -1.103 5.868 1.518 430 HB2 SER 59 1HB SER 59 1.300 5.238 1.599 431 HB3 SER 59 2HB SER 59 0.637 5.070 -0.014 432 HG SER 59 HG SER 59 1.810 7.580 0.622 433 H ASN 60 H ASN 60 0.406 9.039 0.928 434 HA ASN 60 HA ASN 60 1.579 9.414 3.382 435 HB2 ASN 60 1HB ASN 60 1.047 10.954 1.044 436 HB3 ASN 60 2HB ASN 60 0.335 11.872 2.356 437 HD21 ASN 60 1HD2 ASN 60 1.615 12.544 4.108 438 HD22 ASN 60 2HD2 ASN 60 3.335 12.715 3.983 439 H TYR 61 H TYR 61 -1.795 9.775 2.208 440 HA TYR 61 HA TYR 61 -2.761 11.171 4.475 441 HB2 TYR 61 1HB TYR 61 -3.873 9.456 2.185 442 HB3 TYR 61 2HB TYR 61 -4.960 10.105 3.397 443 HD1 TYR 61 2HD TYR 61 -2.029 11.558 1.543 444 HD2 TYR 61 1HD TYR 61 -6.180 11.872 2.528 445 HE1 TYR 61 2HE TYR 61 -2.179 13.742 0.249 446 HE2 TYR 61 1HE TYR 61 -6.316 14.054 1.232 447 HH TYR 61 HH TYR 61 -5.280 15.337 -0.240 448 H VAL 62 H VAL 62 -3.216 7.727 3.381 449 HA VAL 62 HA VAL 62 -4.519 6.859 5.642 450 HB VAL 62 HB VAL 62 -4.132 4.708 4.849 451 HG11 VAL 62 1HG1 VAL 62 -5.078 4.964 2.833 452 HG12 VAL 62 2HG1 VAL 62 -4.858 6.714 3.074 453 HG13 VAL 62 3HG1 VAL 62 -3.642 5.780 2.170 454 HG21 VAL 62 1HG2 VAL 62 -1.449 5.719 4.270 455 HG22 VAL 62 2HG2 VAL 62 -1.998 4.063 4.620 456 HG23 VAL 62 3HG2 VAL 62 -2.095 4.701 2.961 457 H ARG 63 H ARG 63 -3.336 4.922 7.027 458 HA ARG 63 HA ARG 63 -0.987 6.238 8.138 459 HB2 ARG 63 1HB ARG 63 -3.344 5.952 9.456 460 HB3 ARG 63 2HB ARG 63 -2.657 4.385 9.833 461 HG2 ARG 63 1HG ARG 63 -1.902 5.750 11.615 462 HG3 ARG 63 2HG ARG 63 -0.515 5.682 10.547 463 HD2 ARG 63 1HD ARG 63 -1.073 7.878 9.585 464 HD3 ARG 63 2HD ARG 63 -2.580 7.933 10.479 465 HE ARG 63 HE ARG 63 -1.396 8.629 12.369 466 HH11 ARG 63 2HH2 ARG 63 0.846 7.120 10.116 467 HH12 ARG 63 1HH2 ARG 63 2.251 7.527 11.044 468 HH21 ARG 63 2HH1 ARG 63 0.457 9.167 13.592 469 HH22 ARG 63 1HH1 ARG 63 2.028 8.699 13.034 470 H GLU 64 H GLU 64 0.769 4.852 8.841 471 HA GLU 64 HA GLU 64 0.698 2.291 7.514 472 HB2 GLU 64 1HB GLU 64 2.638 3.606 6.995 473 HB3 GLU 64 2HB GLU 64 2.923 4.003 8.678 474 HG2 GLU 64 1HG GLU 64 4.228 2.167 8.920 475 HG3 GLU 64 2HG GLU 64 2.891 1.129 8.466 476 H ILE 65 H ILE 65 0.922 0.289 8.569 477 HA ILE 65 HA ILE 65 0.653 0.452 11.485 478 HB ILE 65 HB ILE 65 -0.182 -1.704 9.541 479 HG12 ILE 65 1HG1 ILE 65 -1.519 0.401 9.454 480 HG13 ILE 65 2HG1 ILE 65 -2.433 -1.015 9.933 481 HG21 ILE 65 1HG2 ILE 65 -0.802 -3.047 11.266 482 HG22 ILE 65 2HG2 ILE 65 0.570 -2.224 12.046 483 HG23 ILE 65 3HG2 ILE 65 -1.094 -1.686 12.376 484 HD11 ILE 65 1HD1 ILE 65 -1.194 0.458 12.202 485 HD12 ILE 65 2HD1 ILE 65 -2.437 1.366 11.308 486 HD13 ILE 65 3HD1 ILE 65 -2.837 -0.207 12.038 487 H LYS 66 H LYS 66 2.507 -0.909 8.760 488 HA LYS 66 HA LYS 66 4.130 -2.481 10.568 489 HB2 LYS 66 1HB LYS 66 3.645 -3.566 8.531 490 HB3 LYS 66 2HB LYS 66 3.996 -2.142 7.573 491 HG2 LYS 66 1HG LYS 66 6.234 -2.593 7.510 492 HG3 LYS 66 2HG LYS 66 6.301 -2.942 9.226 493 HD2 LYS 66 1HD LYS 66 4.943 -4.955 7.437 494 HD3 LYS 66 2HD LYS 66 6.691 -4.857 7.374 495 HE2 LYS 66 1HE LYS 66 6.957 -5.546 9.609 496 HE3 LYS 66 2HE LYS 66 5.374 -4.969 10.090 497 HZ1 LYS 66 1HZ LYS 66 4.363 -6.773 9.018 498 HZ2 LYS 66 2HZ LYS 66 5.728 -7.215 8.238 499 HZ3 LYS 66 3HZ LYS 66 5.612 -7.414 9.854 500 H SER 67 H SER 67 5.836 -1.662 11.644 501 HA SER 67 HA SER 67 6.724 0.956 10.939 502 HB2 SER 67 1HB SER 67 8.087 0.797 12.980 503 HB3 SER 67 2HB SER 67 6.442 0.291 13.307 504 HG SER 67 HG SER 67 7.912 -1.201 14.257 505 H SER 68 H SER 68 7.675 -2.394 10.419 506 HA SER 68 HA SER 68 10.400 -1.887 9.975 507 HB2 SER 68 1HB SER 68 8.938 -4.138 10.347 508 HB3 SER 68 2HB SER 68 9.036 -4.180 8.598 509 HG SER 68 HG SER 68 10.842 -5.160 10.129 510 H GLU 69 H GLU 69 7.582 -1.042 8.244 511 HA GLU 69 HA GLU 69 8.965 -1.153 5.696 512 HB2 GLU 69 1HB GLU 69 6.073 -0.887 6.526 513 HB3 GLU 69 2HB GLU 69 6.557 -0.290 4.951 514 HG2 GLU 69 1HG GLU 69 7.402 -3.070 5.815 515 HG3 GLU 69 2HG GLU 69 5.771 -2.809 5.231 516 H ARG 70 H ARG 70 7.153 1.128 7.858 517 HA ARG 70 HA ARG 70 7.544 3.366 6.337 518 HB2 ARG 70 1HB ARG 70 6.479 2.730 8.891 519 HB3 ARG 70 2HB ARG 70 7.697 3.947 9.213 520 HG2 ARG 70 1HG ARG 70 6.137 4.674 6.847 521 HG3 ARG 70 2HG ARG 70 5.074 4.371 8.208 522 HD2 ARG 70 1HD ARG 70 5.963 6.127 9.483 523 HD3 ARG 70 2HD ARG 70 7.536 6.038 8.715 524 HE ARG 70 HE ARG 70 5.473 6.829 6.823 525 HH11 ARG 70 2HH2 ARG 70 7.565 8.030 9.386 526 HH12 ARG 70 1HH2 ARG 70 7.553 9.662 8.804 527 HH21 ARG 70 2HH1 ARG 70 5.458 8.980 6.057 528 HH22 ARG 70 1HH1 ARG 70 6.346 10.206 6.897 529 H SER 71 H SER 71 9.666 1.715 8.706 530 HA SER 71 HA SER 71 11.650 3.796 8.252 531 HB2 SER 71 1HB SER 71 10.936 3.254 10.636 532 HB3 SER 71 2HB SER 71 11.635 1.661 10.429 533 HG SER 71 HG SER 71 13.352 2.722 11.247 534 H GLY 72 H GLY 72 10.754 1.220 6.653 535 HA2 GLY 72 1HA GLY 72 13.136 -0.425 6.734 536 HA3 GLY 72 2HA GLY 72 11.725 -0.625 5.714 537 HA PRO 73 HA PRO 73 14.162 1.071 2.532 538 HB2 PRO 73 1HB PRO 73 12.267 1.218 0.568 539 HB3 PRO 73 2HB PRO 73 13.138 -0.254 0.951 540 HG2 PRO 73 1HG PRO 73 10.348 0.470 1.603 541 HG3 PRO 73 2HG PRO 73 11.096 -1.114 1.592 542 HD2 PRO 73 1HD PRO 73 10.475 0.475 3.898 543 HD3 PRO 73 2HD PRO 73 11.328 -1.057 3.878 544 H SER 74 H SER 74 14.996 3.031 2.182 545 HA SER 74 HA SER 74 13.071 5.146 1.879 546 HB2 SER 74 1HB SER 74 15.077 4.999 4.153 547 HB3 SER 74 2HB SER 74 14.513 6.547 3.558 548 HG SER 74 HG SER 74 12.959 6.184 5.019 549 H SER 75 H SER 75 13.771 5.643 -0.206 550 HA SER 75 HA SER 75 16.618 6.245 -0.427 551 HB2 SER 75 1HB SER 75 15.885 4.272 -1.788 552 HB3 SER 75 2HB SER 75 14.727 5.289 -2.623 553 HG SER 75 HG SER 75 17.339 4.922 -3.205 554 H GLY 76 H GLY 76 17.171 8.297 -1.201 555 HA2 GLY 76 1HA GLY 76 15.052 9.943 -2.393 556 HA3 GLY 76 2HA GLY 76 15.822 10.505 -0.921 Start of MODEL 13 1 H1 GLY 1 H GLY 1 3.351 -14.660 -19.039 2 HA2 GLY 1 1HA GLY 1 3.461 -12.823 -17.677 3 HA3 GLY 1 2HA GLY 1 1.733 -12.580 -17.830 4 H SER 2 H SER 2 4.290 -13.874 -15.877 5 HA SER 2 HA SER 2 2.341 -15.267 -14.227 6 HB2 SER 2 1HB SER 2 4.325 -16.581 -14.967 7 HB3 SER 2 2HB SER 2 5.390 -15.409 -14.214 8 HG SER 2 HG SER 2 5.214 -16.707 -12.511 9 H SER 3 H SER 3 5.303 -13.160 -13.942 10 HA SER 3 HA SER 3 5.707 -11.425 -12.684 11 HB2 SER 3 1HB SER 3 2.877 -11.374 -12.766 12 HB3 SER 3 2HB SER 3 3.278 -11.195 -11.069 13 HG SER 3 HG SER 3 3.559 -9.382 -13.138 14 H GLY 4 H GLY 4 3.492 -13.647 -10.829 15 HA2 GLY 4 1HA GLY 4 5.473 -14.783 -9.239 16 HA3 GLY 4 2HA GLY 4 4.877 -13.378 -8.379 17 H SER 5 H SER 5 3.799 -14.515 -6.716 18 HA SER 5 HA SER 5 1.304 -15.666 -7.593 19 HB2 SER 5 1HB SER 5 1.653 -17.581 -5.905 20 HB3 SER 5 2HB SER 5 2.530 -17.692 -7.418 21 HG SER 5 HG SER 5 3.712 -18.059 -5.254 22 H SER 6 H SER 6 3.405 -15.192 -4.649 23 HA SER 6 HA SER 6 1.870 -13.168 -3.608 24 HB2 SER 6 1HB SER 6 0.362 -15.413 -3.412 25 HB3 SER 6 2HB SER 6 1.292 -15.593 -1.937 26 HG SER 6 HG SER 6 0.549 -13.544 -1.211 27 H GLY 7 H GLY 7 4.206 -12.637 -3.422 28 HA2 GLY 7 1HA GLY 7 5.206 -12.949 -0.834 29 HA3 GLY 7 2HA GLY 7 5.986 -14.150 -1.843 30 H SER 8 H SER 8 5.624 -10.705 -1.139 31 HA SER 8 HA SER 8 8.006 -10.253 -2.711 32 HB2 SER 8 1HB SER 8 6.979 -8.070 -3.565 33 HB3 SER 8 2HB SER 8 6.369 -9.541 -4.297 34 HG SER 8 HG SER 8 4.678 -9.338 -2.418 35 H HIS 9 H HIS 9 5.466 -8.678 -0.629 36 HA HIS 9 HA HIS 9 7.138 -8.221 1.504 37 HB2 HIS 9 1HB HIS 9 7.583 -6.351 -0.658 38 HB3 HIS 9 2HB HIS 9 6.960 -5.508 0.746 39 HD1 HIS 9 1HD HIS 9 10.055 -5.973 -0.635 40 HD2 HIS 9 2HD HIS 9 8.568 -6.944 3.165 41 HE1 HIS 9 1HE HIS 9 12.084 -6.160 0.900 42 H GLN 10 H GLN 10 4.804 -6.125 -0.346 43 HA GLN 10 HA GLN 10 2.787 -5.460 0.108 44 HB2 GLN 10 1HB GLN 10 2.210 -7.839 0.418 45 HB3 GLN 10 2HB GLN 10 2.716 -7.774 2.095 46 HG2 GLN 10 1HG GLN 10 0.907 -6.322 2.708 47 HG3 GLN 10 2HG GLN 10 0.573 -5.889 1.044 48 HE21 GLN 10 1HE2 GLN 10 -0.153 -7.605 -0.412 49 HE22 GLN 10 2HE2 GLN 10 -1.184 -8.859 0.192 50 H LEU 11 H LEU 11 1.914 -3.775 1.346 51 HA LEU 11 HA LEU 11 3.180 -3.376 3.967 52 HB2 LEU 11 1HB LEU 11 3.633 -1.859 1.728 53 HB3 LEU 11 2HB LEU 11 2.343 -0.968 2.513 54 HG LEU 11 HG LEU 11 5.012 -1.710 3.742 55 HD11 LEU 11 1HD1 LEU 11 5.032 0.936 3.828 56 HD12 LEU 11 2HD1 LEU 11 5.569 0.041 2.386 57 HD13 LEU 11 3HD1 LEU 11 3.938 0.752 2.436 58 HD21 LEU 11 1HD2 LEU 11 4.334 -0.396 5.679 59 HD22 LEU 11 2HD2 LEU 11 2.736 -0.112 4.949 60 HD23 LEU 11 3HD2 LEU 11 3.220 -1.759 5.417 61 H ILE 12 H ILE 12 1.773 -3.264 5.636 62 HA ILE 12 HA ILE 12 -1.052 -3.085 4.945 63 HB ILE 12 HB ILE 12 0.450 -4.032 7.377 64 HG12 ILE 12 1HG1 ILE 12 -1.397 -5.943 6.472 65 HG13 ILE 12 2HG1 ILE 12 -0.682 -5.288 5.012 66 HG21 ILE 12 1HG2 ILE 12 -2.561 -3.956 7.118 67 HG22 ILE 12 2HG2 ILE 12 -1.582 -4.394 8.538 68 HG23 ILE 12 3HG2 ILE 12 -1.622 -2.707 7.970 69 HD11 ILE 12 1HD1 ILE 12 0.950 -6.238 7.410 70 HD12 ILE 12 2HD1 ILE 12 0.591 -7.242 5.985 71 HD13 ILE 12 3HD1 ILE 12 1.575 -5.768 5.812 72 H VAL 13 H VAL 13 -1.935 -1.091 4.914 73 HA VAL 13 HA VAL 13 -1.118 0.732 7.061 74 HB VAL 13 HB VAL 13 -1.097 2.575 5.537 75 HG11 VAL 13 1HG1 VAL 13 1.043 2.146 5.081 76 HG12 VAL 13 2HG1 VAL 13 0.752 0.428 5.444 77 HG13 VAL 13 3HG1 VAL 13 0.572 1.027 3.778 78 HG21 VAL 13 1HG2 VAL 13 -2.797 2.080 3.966 79 HG22 VAL 13 2HG2 VAL 13 -1.284 2.117 3.030 80 HG23 VAL 13 3HG2 VAL 13 -2.017 0.557 3.476 81 H LYS 14 H LYS 14 -2.808 1.704 8.125 82 HA LYS 14 HA LYS 14 -5.454 0.858 7.282 83 HB2 LYS 14 1HB LYS 14 -4.675 0.523 9.622 84 HB3 LYS 14 2HB LYS 14 -4.556 2.260 9.816 85 HG2 LYS 14 1HG LYS 14 -6.706 1.802 10.670 86 HG3 LYS 14 2HG LYS 14 -7.055 2.322 9.033 87 HD2 LYS 14 1HD LYS 14 -8.156 0.360 8.736 88 HD3 LYS 14 2HD LYS 14 -6.598 -0.441 8.759 89 HE2 LYS 14 1HE LYS 14 -6.869 -1.224 10.917 90 HE3 LYS 14 2HE LYS 14 -7.705 0.221 11.453 91 HZ1 LYS 14 1HZ LYS 14 -8.980 -1.974 11.133 92 HZ2 LYS 14 2HZ LYS 14 -9.686 -0.567 10.699 93 HZ3 LYS 14 3HZ LYS 14 -9.035 -1.540 9.560 94 H ALA 15 H ALA 15 -6.957 2.177 6.356 95 HA ALA 15 HA ALA 15 -6.238 4.525 5.155 96 HB1 ALA 15 1HB ALA 15 -8.804 4.898 5.147 97 HB2 ALA 15 2HB ALA 15 -8.177 3.415 4.389 98 HB3 ALA 15 3HB ALA 15 -8.892 3.348 6.018 99 H ARG 16 H ARG 16 -7.022 6.782 5.582 100 HA ARG 16 HA ARG 16 -6.519 7.356 8.347 101 HB2 ARG 16 1HB ARG 16 -5.436 8.604 6.374 102 HB3 ARG 16 2HB ARG 16 -7.002 9.326 6.061 103 HG2 ARG 16 1HG ARG 16 -6.687 10.862 7.699 104 HG3 ARG 16 2HG ARG 16 -6.403 9.604 8.886 105 HD2 ARG 16 1HD ARG 16 -4.176 10.229 6.946 106 HD3 ARG 16 2HD ARG 16 -4.488 11.381 8.229 107 HE ARG 16 HE ARG 16 -4.285 8.565 9.097 108 HH11 ARG 16 2HH2 ARG 16 -2.625 11.636 8.646 109 HH12 ARG 16 1HH2 ARG 16 -1.343 11.250 9.745 110 HH21 ARG 16 2HH1 ARG 16 -2.595 8.057 10.548 111 HH22 ARG 16 1HH1 ARG 16 -1.326 9.200 10.834 112 H PHE 17 H PHE 17 -8.895 8.516 5.831 113 HA PHE 17 HA PHE 17 -11.028 8.213 7.762 114 HB2 PHE 17 1HB PHE 17 -11.681 10.598 7.502 115 HB3 PHE 17 2HB PHE 17 -10.023 10.531 8.066 116 HD1 PHE 17 2HD PHE 17 -12.100 10.992 5.032 117 HD2 PHE 17 1HD PHE 17 -8.284 11.510 6.816 118 HE1 PHE 17 2HE PHE 17 -11.382 12.404 3.085 119 HE2 PHE 17 1HE PHE 17 -7.566 12.922 4.869 120 HZ PHE 17 HZ PHE 17 -9.124 13.352 3.026 121 H ASN 18 H ASN 18 -13.126 9.364 6.493 122 HA ASN 18 HA ASN 18 -13.719 7.617 4.512 123 HB2 ASN 18 1HB ASN 18 -14.824 10.464 4.602 124 HB3 ASN 18 2HB ASN 18 -15.658 9.020 4.062 125 HD21 ASN 18 1HD2 ASN 18 -14.679 10.959 6.729 126 HD22 ASN 18 2HD2 ASN 18 -15.481 10.098 8.001 127 H PHE 19 H PHE 19 -12.287 7.420 2.731 128 HA PHE 19 HA PHE 19 -11.587 9.899 1.339 129 HB2 PHE 19 1HB PHE 19 -9.693 8.483 2.048 130 HB3 PHE 19 2HB PHE 19 -10.487 7.036 1.460 131 HD1 PHE 19 2HD PHE 19 -9.189 10.303 0.207 132 HD2 PHE 19 1HD PHE 19 -9.883 6.196 -0.608 133 HE1 PHE 19 2HE PHE 19 -7.992 10.536 -1.986 134 HE2 PHE 19 1HE PHE 19 -8.686 6.429 -2.802 135 HZ PHE 19 HZ PHE 19 -7.753 8.596 -3.465 136 H LYS 20 H LYS 20 -11.955 10.129 -0.910 137 HA LYS 20 HA LYS 20 -13.791 8.112 -2.001 138 HB2 LYS 20 1HB LYS 20 -14.809 10.331 -1.531 139 HB3 LYS 20 2HB LYS 20 -13.663 11.076 -2.626 140 HG2 LYS 20 1HG LYS 20 -14.594 10.027 -4.538 141 HG3 LYS 20 2HG LYS 20 -15.338 8.748 -3.599 142 HD2 LYS 20 1HD LYS 20 -16.226 11.588 -3.085 143 HD3 LYS 20 2HD LYS 20 -16.777 10.805 -4.552 144 HE2 LYS 20 1HE LYS 20 -17.056 9.504 -1.806 145 HE3 LYS 20 2HE LYS 20 -18.291 10.550 -2.479 146 HZ1 LYS 20 1HZ LYS 20 -17.391 8.521 -4.276 147 HZ2 LYS 20 2HZ LYS 20 -18.112 7.934 -2.934 148 HZ3 LYS 20 3HZ LYS 20 -18.913 8.978 -3.899 149 H GLN 21 H GLN 21 -13.269 7.124 -3.913 150 HA GLN 21 HA GLN 21 -10.615 7.551 -4.830 151 HB2 GLN 21 1HB GLN 21 -11.069 5.648 -6.322 152 HB3 GLN 21 2HB GLN 21 -11.611 5.286 -4.695 153 HG2 GLN 21 1HG GLN 21 -13.942 6.188 -5.492 154 HG3 GLN 21 2HG GLN 21 -13.300 6.020 -7.114 155 HE21 GLN 21 1HE2 GLN 21 -11.733 3.796 -6.922 156 HE22 GLN 21 2HE2 GLN 21 -12.686 2.388 -6.593 157 H THR 22 H THR 22 -9.942 8.319 -6.906 158 HA THR 22 HA THR 22 -11.708 10.290 -8.018 159 HB THR 22 HB THR 22 -9.659 10.706 -9.461 160 HG1 THR 22 1HG THR 22 -7.839 9.266 -8.878 161 HG21 THR 22 1HG2 THR 22 -9.800 11.661 -7.083 162 HG22 THR 22 2HG2 THR 22 -8.891 10.232 -6.537 163 HG23 THR 22 3HG2 THR 22 -8.144 11.383 -7.671 164 H ASN 23 H ASN 23 -11.020 6.925 -8.600 165 HA ASN 23 HA ASN 23 -12.824 7.072 -10.835 166 HB2 ASN 23 1HB ASN 23 -10.298 7.163 -11.610 167 HB3 ASN 23 2HB ASN 23 -10.246 5.475 -11.143 168 HD21 ASN 23 1HD2 ASN 23 -12.159 7.803 -13.023 169 HD22 ASN 23 2HD2 ASN 23 -12.607 6.737 -14.313 170 H GLU 24 H GLU 24 -13.374 4.660 -11.525 171 HA GLU 24 HA GLU 24 -13.905 3.252 -9.131 172 HB2 GLU 24 1HB GLU 24 -15.011 1.606 -10.690 173 HB3 GLU 24 2HB GLU 24 -15.581 3.253 -10.876 174 HG2 GLU 24 1HG GLU 24 -14.281 3.589 -12.883 175 HG3 GLU 24 2HG GLU 24 -13.330 2.145 -12.602 176 H ASP 25 H ASP 25 -11.153 3.492 -11.048 177 HA ASP 25 HA ASP 25 -10.455 0.707 -10.791 178 HB2 ASP 25 1HB ASP 25 -9.474 3.070 -12.319 179 HB3 ASP 25 2HB ASP 25 -8.205 1.998 -11.763 180 H GLU 26 H GLU 26 -9.848 3.943 -9.433 181 HA GLU 26 HA GLU 26 -7.467 3.272 -8.104 182 HB2 GLU 26 1HB GLU 26 -8.779 5.610 -8.664 183 HB3 GLU 26 2HB GLU 26 -9.192 5.430 -6.970 184 HG2 GLU 26 1HG GLU 26 -7.136 6.194 -6.406 185 HG3 GLU 26 2HG GLU 26 -6.419 4.785 -7.161 186 H LEU 27 H LEU 27 -7.353 3.513 -5.565 187 HA LEU 27 HA LEU 27 -9.072 1.469 -4.524 188 HB2 LEU 27 1HB LEU 27 -6.486 2.404 -4.036 189 HB3 LEU 27 2HB LEU 27 -7.386 2.824 -2.593 190 HG LEU 27 HG LEU 27 -6.230 0.622 -2.485 191 HD11 LEU 27 1HD1 LEU 27 -8.965 1.232 -1.788 192 HD12 LEU 27 2HD1 LEU 27 -8.770 -0.511 -2.092 193 HD13 LEU 27 3HD1 LEU 27 -7.740 0.303 -0.891 194 HD21 LEU 27 1HD2 LEU 27 -7.570 0.232 -5.006 195 HD22 LEU 27 2HD2 LEU 27 -6.310 -0.752 -4.224 196 HD23 LEU 27 3HD2 LEU 27 -8.026 -1.052 -3.861 197 H SER 28 H SER 28 -10.572 1.677 -2.789 198 HA SER 28 HA SER 28 -11.296 4.436 -2.209 199 HB2 SER 28 1HB SER 28 -13.187 4.130 -3.420 200 HB3 SER 28 2HB SER 28 -12.882 2.413 -3.602 201 HG SER 28 HG SER 28 -13.971 1.967 -1.694 202 H VAL 29 H VAL 29 -10.981 4.703 -0.030 203 HA VAL 29 HA VAL 29 -11.728 2.442 1.692 204 HB VAL 29 HB VAL 29 -9.933 3.797 3.181 205 HG11 VAL 29 1HG1 VAL 29 -8.697 1.888 3.060 206 HG12 VAL 29 2HG1 VAL 29 -10.149 1.295 2.218 207 HG13 VAL 29 3HG1 VAL 29 -8.738 1.839 1.281 208 HG21 VAL 29 1HG2 VAL 29 -8.062 4.539 1.913 209 HG22 VAL 29 2HG2 VAL 29 -8.751 3.918 0.394 210 HG23 VAL 29 3HG2 VAL 29 -9.492 5.321 1.199 211 H CYS 30 H CYS 30 -12.737 2.990 3.717 212 HA CYS 30 HA CYS 30 -13.917 5.666 3.628 213 HB2 CYS 30 1HB CYS 30 -15.010 2.991 4.270 214 HB3 CYS 30 2HB CYS 30 -15.497 4.265 5.370 215 HG CYS 30 HG CYS 30 -17.393 4.457 3.827 216 H LYS 31 H LYS 31 -13.289 3.078 6.116 217 HA LYS 31 HA LYS 31 -11.388 4.624 7.508 218 HB2 LYS 31 1HB LYS 31 -13.977 5.512 7.963 219 HB3 LYS 31 2HB LYS 31 -13.690 4.431 9.311 220 HG2 LYS 31 1HG LYS 31 -12.008 5.751 10.204 221 HG3 LYS 31 2HG LYS 31 -11.425 6.266 8.634 222 HD2 LYS 31 1HD LYS 31 -12.420 8.256 9.198 223 HD3 LYS 31 2HD LYS 31 -13.874 7.475 8.609 224 HE2 LYS 31 1HE LYS 31 -13.105 7.007 11.488 225 HE3 LYS 31 2HE LYS 31 -13.751 8.580 11.065 226 HZ1 LYS 31 1HZ LYS 31 -15.043 5.978 10.682 227 HZ2 LYS 31 2HZ LYS 31 -15.551 7.219 11.613 228 HZ3 LYS 31 3HZ LYS 31 -15.603 7.344 9.986 229 H GLY 32 H GLY 32 -10.171 3.252 8.743 230 HA2 GLY 32 1HA GLY 32 -9.519 1.363 9.775 231 HA3 GLY 32 2HA GLY 32 -11.202 1.023 10.123 232 H ASP 33 H ASP 33 -9.319 1.300 7.020 233 HA ASP 33 HA ASP 33 -10.104 -1.452 6.498 234 HB2 ASP 33 1HB ASP 33 -10.175 0.897 4.547 235 HB3 ASP 33 2HB ASP 33 -10.377 -0.776 4.066 236 H ILE 34 H ILE 34 -7.904 -2.112 7.039 237 HA ILE 34 HA ILE 34 -5.613 -0.827 6.172 238 HB ILE 34 HB ILE 34 -6.359 -3.346 7.405 239 HG12 ILE 34 1HG1 ILE 34 -3.704 -2.589 8.024 240 HG13 ILE 34 2HG1 ILE 34 -4.598 -1.096 7.816 241 HG21 ILE 34 1HG2 ILE 34 -4.421 -4.652 6.798 242 HG22 ILE 34 2HG2 ILE 34 -5.360 -4.268 5.335 243 HG23 ILE 34 3HG2 ILE 34 -3.862 -3.376 5.690 244 HD11 ILE 34 1HD1 ILE 34 -4.993 -3.288 9.834 245 HD12 ILE 34 2HD1 ILE 34 -5.100 -1.523 10.040 246 HD13 ILE 34 3HD1 ILE 34 -6.440 -2.412 9.275 247 H ILE 35 H ILE 35 -4.398 -0.836 4.306 248 HA ILE 35 HA ILE 35 -5.499 -2.458 2.115 249 HB ILE 35 HB ILE 35 -4.237 0.274 1.885 250 HG12 ILE 35 1HG1 ILE 35 -7.049 0.180 1.218 251 HG13 ILE 35 2HG1 ILE 35 -6.808 -0.356 2.868 252 HG21 ILE 35 1HG2 ILE 35 -4.013 -1.197 -0.089 253 HG22 ILE 35 2HG2 ILE 35 -5.785 -1.365 -0.139 254 HG23 ILE 35 3HG2 ILE 35 -5.034 0.229 -0.397 255 HD11 ILE 35 1HD1 ILE 35 -5.087 1.824 2.716 256 HD12 ILE 35 2HD1 ILE 35 -6.455 2.333 1.697 257 HD13 ILE 35 3HD1 ILE 35 -6.734 1.860 3.390 258 H TYR 36 H TYR 36 -4.051 -3.637 0.874 259 HA TYR 36 HA TYR 36 -1.388 -3.842 2.016 260 HB2 TYR 36 1HB TYR 36 -2.985 -5.331 -0.161 261 HB3 TYR 36 2HB TYR 36 -1.411 -5.852 0.404 262 HD1 TYR 36 1HD TYR 36 -1.496 -5.712 3.271 263 HD2 TYR 36 2HD TYR 36 -4.627 -6.796 0.563 264 HE1 TYR 36 1HE TYR 36 -2.613 -7.081 5.098 265 HE2 TYR 36 2HE TYR 36 -5.733 -8.162 2.400 266 HH TYR 36 HH TYR 36 -4.865 -9.362 4.519 267 H VAL 37 H VAL 37 0.165 -2.499 1.239 268 HA VAL 37 HA VAL 37 -0.087 -1.436 -1.425 269 HB VAL 37 HB VAL 37 2.203 -1.101 0.508 270 HG11 VAL 37 1HG1 VAL 37 2.628 0.943 -0.633 271 HG12 VAL 37 2HG1 VAL 37 2.367 -0.287 -1.894 272 HG13 VAL 37 3HG1 VAL 37 1.073 0.869 -1.498 273 HG21 VAL 37 1HG2 VAL 37 -0.565 0.051 0.604 274 HG22 VAL 37 2HG2 VAL 37 0.500 -0.476 1.930 275 HG23 VAL 37 3HG2 VAL 37 0.814 1.064 1.094 276 H THR 38 H THR 38 0.695 -2.401 -3.223 277 HA THR 38 HA THR 38 2.744 -4.476 -2.830 278 HB THR 38 HB THR 38 0.821 -5.498 -3.787 279 HG1 THR 38 1HG THR 38 1.632 -5.870 -5.927 280 HG21 THR 38 1HG2 THR 38 0.591 -3.003 -5.553 281 HG22 THR 38 2HG2 THR 38 -0.406 -4.467 -5.734 282 HG23 THR 38 3HG2 THR 38 -0.539 -3.476 -4.261 283 H ARG 39 H ARG 39 1.783 -1.650 -4.850 284 HA ARG 39 HA ARG 39 4.143 -1.794 -6.364 285 HB2 ARG 39 1HB ARG 39 2.018 -0.682 -7.131 286 HB3 ARG 39 2HB ARG 39 2.241 0.563 -5.918 287 HG2 ARG 39 1HG ARG 39 3.600 1.715 -7.317 288 HG3 ARG 39 2HG ARG 39 4.708 0.358 -7.385 289 HD2 ARG 39 1HD ARG 39 3.618 -0.590 -9.303 290 HD3 ARG 39 2HD ARG 39 2.177 0.380 -9.075 291 HE ARG 39 HE ARG 39 4.181 2.271 -9.432 292 HH11 ARG 39 2HH2 ARG 39 3.049 -0.500 -11.284 293 HH12 ARG 39 1HH2 ARG 39 3.499 0.177 -12.813 294 HH21 ARG 39 2HH1 ARG 39 4.775 3.164 -11.451 295 HH22 ARG 39 1HH1 ARG 39 4.488 2.275 -12.909 296 H VAL 40 H VAL 40 3.020 0.921 -4.213 297 HA VAL 40 HA VAL 40 4.080 2.075 -2.636 298 HB VAL 40 HB VAL 40 6.442 0.223 -2.977 299 HG11 VAL 40 1HG1 VAL 40 7.393 1.415 -1.352 300 HG12 VAL 40 2HG1 VAL 40 6.009 2.533 -1.375 301 HG13 VAL 40 3HG1 VAL 40 5.995 1.123 -0.290 302 HG21 VAL 40 1HG2 VAL 40 5.520 -1.288 -1.439 303 HG22 VAL 40 2HG2 VAL 40 4.272 -0.136 -0.909 304 HG23 VAL 40 3HG2 VAL 40 4.158 -0.893 -2.514 305 H GLU 41 H GLU 41 3.919 3.701 -4.384 306 HA GLU 41 HA GLU 41 6.476 4.152 -5.690 307 HB2 GLU 41 1HB GLU 41 3.646 5.081 -6.282 308 HB3 GLU 41 2HB GLU 41 5.027 5.871 -7.018 309 HG2 GLU 41 1HG GLU 41 5.166 2.917 -7.183 310 HG3 GLU 41 2HG GLU 41 3.754 3.578 -7.983 311 H GLU 42 H GLU 42 7.427 6.326 -5.676 312 HA GLU 42 HA GLU 42 6.729 7.691 -3.212 313 HB2 GLU 42 1HB GLU 42 9.237 7.841 -4.944 314 HB3 GLU 42 2HB GLU 42 8.995 8.762 -3.473 315 HG2 GLU 42 1HG GLU 42 8.586 5.779 -3.328 316 HG3 GLU 42 2HG GLU 42 10.232 6.364 -3.471 317 H GLY 43 H GLY 43 5.957 7.828 -6.445 318 HA2 GLY 43 1HA GLY 43 6.373 10.481 -7.207 319 HA3 GLY 43 2HA GLY 43 5.113 9.413 -7.795 320 H GLY 44 H GLY 44 3.616 8.906 -5.445 321 HA2 GLY 44 1HA GLY 44 2.977 10.873 -3.722 322 HA3 GLY 44 2HA GLY 44 2.216 11.427 -5.200 323 H TRP 45 H TRP 45 1.772 8.629 -6.235 324 HA TRP 45 HA TRP 45 -0.559 8.053 -4.558 325 HB2 TRP 45 1HB TRP 45 0.059 7.294 -7.418 326 HB3 TRP 45 2HB TRP 45 -1.387 6.839 -6.540 327 HD1 TRP 45 HD TRP 45 0.362 10.133 -7.703 328 HE1 TRP 45 1HE TRP 45 -1.430 12.001 -8.217 329 HE3 TRP 45 3HE TRP 45 -3.668 7.412 -6.218 330 HZ2 TRP 45 2HZ TRP 45 -4.268 12.127 -7.951 331 HZ3 TRP 45 3HZ TRP 45 -5.914 8.482 -6.377 332 HH2 TRP 45 HH TRP 45 -6.250 10.756 -7.208 333 H TRP 46 H TRP 46 -1.030 5.755 -4.080 334 HA TRP 46 HA TRP 46 1.357 4.053 -4.239 335 HB2 TRP 46 1HB TRP 46 0.061 5.112 -1.861 336 HB3 TRP 46 2HB TRP 46 0.068 3.359 -1.869 337 HD1 TRP 46 HD TRP 46 3.046 5.166 -3.483 338 HE1 TRP 46 1HE TRP 46 5.255 4.830 -2.079 339 HE3 TRP 46 3HE TRP 46 0.799 2.961 0.510 340 HZ2 TRP 46 2HZ TRP 46 5.803 3.704 0.485 341 HZ3 TRP 46 3HZ TRP 46 2.243 2.274 2.422 342 HH2 TRP 46 HH TRP 46 4.663 2.613 2.453 343 H GLU 47 H GLU 47 0.885 2.043 -5.067 344 HA GLU 47 HA GLU 47 -1.938 1.504 -5.474 345 HB2 GLU 47 1HB GLU 47 -0.927 1.354 -7.566 346 HB3 GLU 47 2HB GLU 47 0.591 0.766 -6.918 347 HG2 GLU 47 1HG GLU 47 -0.463 -1.440 -6.419 348 HG3 GLU 47 2HG GLU 47 -1.997 -0.856 -7.032 349 H GLY 48 H GLY 48 -2.896 0.168 -4.006 350 HA2 GLY 48 1HA GLY 48 -1.293 -2.093 -2.980 351 HA3 GLY 48 2HA GLY 48 -2.255 -1.087 -1.916 352 H THR 49 H THR 49 -3.574 -2.908 -1.284 353 HA THR 49 HA THR 49 -5.740 -3.377 -3.153 354 HB THR 49 HB THR 49 -3.662 -5.412 -2.365 355 HG1 THR 49 1HG THR 49 -5.597 -4.899 -4.514 356 HG21 THR 49 1HG2 THR 49 -5.686 -7.037 -3.187 357 HG22 THR 49 2HG2 THR 49 -5.342 -6.755 -1.464 358 HG23 THR 49 3HG2 THR 49 -6.639 -5.842 -2.273 359 H LEU 50 H LEU 50 -7.683 -3.518 -2.154 360 HA LEU 50 HA LEU 50 -7.559 -3.639 0.778 361 HB2 LEU 50 1HB LEU 50 -8.229 -1.466 -0.011 362 HB3 LEU 50 2HB LEU 50 -9.448 -2.166 -1.058 363 HG LEU 50 HG LEU 50 -10.690 -2.968 0.926 364 HD11 LEU 50 1HD1 LEU 50 -8.861 -1.310 2.654 365 HD12 LEU 50 2HD1 LEU 50 -10.082 -2.512 3.136 366 HD13 LEU 50 3HD1 LEU 50 -8.565 -3.041 2.369 367 HD21 LEU 50 1HD2 LEU 50 -10.174 -0.114 0.325 368 HD22 LEU 50 2HD2 LEU 50 -11.692 -1.043 0.310 369 HD23 LEU 50 3HD2 LEU 50 -11.023 -0.456 1.851 370 H ASN 51 H ASN 51 -9.738 -4.470 1.737 371 HA ASN 51 HA ASN 51 -10.003 -7.064 1.170 372 HB2 ASN 51 1HB ASN 51 -11.958 -5.020 2.282 373 HB3 ASN 51 2HB ASN 51 -12.492 -6.674 2.062 374 HD21 ASN 51 1HD2 ASN 51 -10.562 -4.485 3.874 375 HD22 ASN 51 2HD2 ASN 51 -9.988 -5.572 5.094 376 H GLY 52 H GLY 52 -10.128 -7.581 -1.097 377 HA2 GLY 52 1HA GLY 52 -11.232 -8.105 -2.993 378 HA3 GLY 52 2HA GLY 52 -12.722 -7.544 -2.262 379 H ARG 53 H ARG 53 -9.847 -5.446 -2.428 380 HA ARG 53 HA ARG 53 -11.036 -4.092 -4.695 381 HB2 ARG 53 1HB ARG 53 -10.977 -3.103 -1.961 382 HB3 ARG 53 2HB ARG 53 -9.953 -2.079 -2.948 383 HG2 ARG 53 1HG ARG 53 -11.790 -1.694 -4.547 384 HG3 ARG 53 2HG ARG 53 -12.814 -2.839 -3.702 385 HD2 ARG 53 1HD ARG 53 -12.147 -1.155 -1.626 386 HD3 ARG 53 2HD ARG 53 -12.105 -0.030 -2.968 387 HE ARG 53 HE ARG 53 -14.431 -0.164 -3.100 388 HH11 ARG 53 2HH2 ARG 53 -13.230 -3.011 -1.416 389 HH12 ARG 53 1HH2 ARG 53 -14.809 -3.608 -1.032 390 HH21 ARG 53 2HH1 ARG 53 -16.516 -0.951 -2.592 391 HH22 ARG 53 1HH1 ARG 53 -16.692 -2.428 -1.706 392 H THR 54 H THR 54 -9.448 -2.574 -5.781 393 HA THR 54 HA THR 54 -6.699 -2.713 -4.970 394 HB THR 54 HB THR 54 -7.638 -4.177 -7.494 395 HG1 THR 54 1HG THR 54 -7.923 -5.533 -5.695 396 HG21 THR 54 1HG2 THR 54 -4.865 -4.245 -6.247 397 HG22 THR 54 2HG2 THR 54 -5.353 -4.704 -7.897 398 HG23 THR 54 3HG2 THR 54 -5.276 -2.986 -7.437 399 H GLY 55 H GLY 55 -5.409 -1.149 -5.971 400 HA2 GLY 55 1HA GLY 55 -5.708 0.226 -8.238 401 HA3 GLY 55 2HA GLY 55 -6.953 0.959 -7.245 402 H TRP 56 H TRP 56 -5.710 2.986 -7.370 403 HA TRP 56 HA TRP 56 -3.290 2.930 -5.706 404 HB2 TRP 56 1HB TRP 56 -4.193 4.922 -7.793 405 HB3 TRP 56 2HB TRP 56 -2.783 5.112 -6.771 406 HD1 TRP 56 HD TRP 56 -4.046 2.373 -9.276 407 HE1 TRP 56 1HE TRP 56 -2.029 1.418 -10.683 408 HE3 TRP 56 3HE TRP 56 -0.453 5.149 -6.989 409 HZ2 TRP 56 2HZ TRP 56 0.780 1.919 -10.682 410 HZ3 TRP 56 3HZ TRP 56 1.901 4.857 -7.752 411 HH2 TRP 56 HH TRP 56 2.543 3.309 -9.531 412 H PHE 57 H PHE 57 -3.061 5.094 -4.402 413 HA PHE 57 HA PHE 57 -5.365 6.548 -3.766 414 HB2 PHE 57 1HB PHE 57 -5.739 5.544 -1.487 415 HB3 PHE 57 2HB PHE 57 -6.017 4.350 -2.739 416 HD1 PHE 57 2HD PHE 57 -3.464 5.536 -0.319 417 HD2 PHE 57 1HD PHE 57 -4.826 2.331 -2.744 418 HE1 PHE 57 2HE PHE 57 -1.804 4.002 0.774 419 HE2 PHE 57 1HE PHE 57 -3.166 0.798 -1.651 420 HZ PHE 57 HZ PHE 57 -1.676 1.652 0.095 421 HA PRO 58 HA PRO 58 -2.308 8.900 -1.800 422 HB2 PRO 58 1HB PRO 58 -3.723 10.383 0.007 423 HB3 PRO 58 2HB PRO 58 -3.660 10.761 -1.702 424 HG2 PRO 58 1HG PRO 58 -5.864 9.544 -0.153 425 HG3 PRO 58 2HG PRO 58 -5.922 10.310 -1.728 426 HD2 PRO 58 1HD PRO 58 -5.977 7.494 -1.187 427 HD3 PRO 58 2HD PRO 58 -5.917 8.258 -2.763 428 H SER 59 H SER 59 -0.639 8.377 -0.545 429 HA SER 59 HA SER 59 -1.338 6.718 1.705 430 HB2 SER 59 1HB SER 59 1.049 6.190 1.803 431 HB3 SER 59 2HB SER 59 0.483 6.025 0.153 432 HG SER 59 HG SER 59 2.526 7.511 1.008 433 H ASN 60 H ASN 60 -0.107 9.953 0.893 434 HA ASN 60 HA ASN 60 1.201 10.783 3.012 435 HB2 ASN 60 1HB ASN 60 -1.076 12.146 1.509 436 HB3 ASN 60 2HB ASN 60 -0.205 12.999 2.767 437 HD21 ASN 60 1HD2 ASN 60 -0.396 12.591 -0.430 438 HD22 ASN 60 2HD2 ASN 60 1.232 12.900 -0.935 439 H TYR 61 H TYR 61 -2.301 10.024 2.822 440 HA TYR 61 HA TYR 61 -2.695 10.888 5.582 441 HB2 TYR 61 1HB TYR 61 -4.744 9.547 3.775 442 HB3 TYR 61 2HB TYR 61 -5.004 10.851 4.917 443 HD1 TYR 61 1HD TYR 61 -2.587 12.542 3.820 444 HD2 TYR 61 2HD TYR 61 -5.942 10.638 1.973 445 HE1 TYR 61 1HE TYR 61 -2.502 14.223 1.915 446 HE2 TYR 61 2HE TYR 61 -5.846 12.324 0.074 447 HH TYR 61 HH TYR 61 -4.957 14.785 -0.103 448 H VAL 62 H VAL 62 -3.341 7.979 3.493 449 HA VAL 62 HA VAL 62 -4.168 6.246 5.388 450 HB VAL 62 HB VAL 62 -3.196 6.161 2.746 451 HG11 VAL 62 1HG1 VAL 62 -1.071 5.294 3.468 452 HG12 VAL 62 2HG1 VAL 62 -1.861 4.101 4.529 453 HG13 VAL 62 3HG1 VAL 62 -2.006 3.954 2.761 454 HG21 VAL 62 1HG2 VAL 62 -4.458 4.069 2.634 455 HG22 VAL 62 2HG2 VAL 62 -4.492 3.977 4.411 456 HG23 VAL 62 3HG2 VAL 62 -5.350 5.291 3.572 457 H ARG 63 H ARG 63 -3.384 5.636 7.331 458 HA ARG 63 HA ARG 63 -0.646 6.170 7.895 459 HB2 ARG 63 1HB ARG 63 -2.824 6.340 9.446 460 HB3 ARG 63 2HB ARG 63 -2.472 4.655 9.780 461 HG2 ARG 63 1HG ARG 63 0.009 5.580 10.177 462 HG3 ARG 63 2HG ARG 63 -0.821 7.102 10.428 463 HD2 ARG 63 1HD ARG 63 -2.314 5.151 11.889 464 HD3 ARG 63 2HD ARG 63 -0.627 4.812 12.223 465 HE ARG 63 HE ARG 63 -1.146 7.657 12.393 466 HH11 ARG 63 2HH2 ARG 63 -1.556 4.636 14.151 467 HH12 ARG 63 1HH2 ARG 63 -1.583 5.398 15.707 468 HH21 ARG 63 2HH1 ARG 63 -1.182 8.661 14.444 469 HH22 ARG 63 1HH1 ARG 63 -1.370 7.702 15.875 470 H GLU 64 H GLU 64 0.996 4.604 8.340 471 HA GLU 64 HA GLU 64 0.414 2.020 7.220 472 HB2 GLU 64 1HB GLU 64 2.434 3.012 6.406 473 HB3 GLU 64 2HB GLU 64 2.965 3.462 8.015 474 HG2 GLU 64 1HG GLU 64 3.095 0.977 8.585 475 HG3 GLU 64 2HG GLU 64 2.749 0.626 6.903 476 H ILE 65 H ILE 65 0.801 0.001 8.334 477 HA ILE 65 HA ILE 65 0.677 0.321 11.247 478 HB ILE 65 HB ILE 65 -0.204 -2.060 9.621 479 HG12 ILE 65 1HG1 ILE 65 -1.494 -0.181 8.829 480 HG13 ILE 65 2HG1 ILE 65 -2.504 -1.198 9.839 481 HG21 ILE 65 1HG2 ILE 65 0.211 -1.737 12.352 482 HG22 ILE 65 2HG2 ILE 65 -1.546 -1.541 12.150 483 HG23 ILE 65 3HG2 ILE 65 -0.742 -3.014 11.558 484 HD11 ILE 65 1HD1 ILE 65 -1.349 1.530 10.445 485 HD12 ILE 65 2HD1 ILE 65 -3.013 0.936 10.666 486 HD13 ILE 65 3HD1 ILE 65 -1.729 0.425 11.788 487 H LYS 66 H LYS 66 1.962 -1.887 8.661 488 HA LYS 66 HA LYS 66 3.635 -3.360 10.242 489 HB2 LYS 66 1HB LYS 66 3.770 -2.510 7.350 490 HB3 LYS 66 2HB LYS 66 5.021 -3.515 8.055 491 HG2 LYS 66 1HG LYS 66 2.296 -4.446 8.736 492 HG3 LYS 66 2HG LYS 66 2.588 -4.421 7.008 493 HD2 LYS 66 1HD LYS 66 4.746 -5.582 8.761 494 HD3 LYS 66 2HD LYS 66 3.284 -6.526 8.551 495 HE2 LYS 66 1HE LYS 66 3.615 -6.050 5.981 496 HE3 LYS 66 2HE LYS 66 5.252 -5.612 6.424 497 HZ1 LYS 66 1HZ LYS 66 5.635 -7.772 6.295 498 HZ2 LYS 66 2HZ LYS 66 4.854 -7.935 7.720 499 HZ3 LYS 66 3HZ LYS 66 4.054 -8.182 6.317 500 H SER 67 H SER 67 5.292 -2.859 11.562 501 HA SER 67 HA SER 67 6.425 -0.230 11.300 502 HB2 SER 67 1HB SER 67 6.281 -2.335 13.415 503 HB3 SER 67 2HB SER 67 7.736 -1.357 13.427 504 HG SER 67 HG SER 67 5.068 -0.633 14.005 505 H SER 68 H SER 68 7.071 -3.489 10.326 506 HA SER 68 HA SER 68 9.916 -3.145 10.328 507 HB2 SER 68 1HB SER 68 7.989 -5.357 9.871 508 HB3 SER 68 2HB SER 68 9.402 -5.426 8.839 509 HG SER 68 HG SER 68 10.479 -4.893 11.147 510 H GLU 69 H GLU 69 7.304 -2.163 8.392 511 HA GLU 69 HA GLU 69 8.800 -2.421 5.931 512 HB2 GLU 69 1HB GLU 69 5.963 -1.442 6.475 513 HB3 GLU 69 2HB GLU 69 6.682 -1.547 4.880 514 HG2 GLU 69 1HG GLU 69 6.721 -3.999 6.649 515 HG3 GLU 69 2HG GLU 69 5.220 -3.557 5.860 516 H ARG 70 H ARG 70 7.999 -0.134 8.460 517 HA ARG 70 HA ARG 70 8.187 2.197 6.974 518 HB2 ARG 70 1HB ARG 70 7.763 1.480 9.678 519 HB3 ARG 70 2HB ARG 70 9.224 2.448 9.723 520 HG2 ARG 70 1HG ARG 70 7.429 3.786 7.938 521 HG3 ARG 70 2HG ARG 70 6.477 3.317 9.332 522 HD2 ARG 70 1HD ARG 70 8.762 4.265 10.566 523 HD3 ARG 70 2HD ARG 70 8.715 5.283 9.140 524 HE ARG 70 HE ARG 70 6.086 5.283 10.134 525 HH11 ARG 70 2HH2 ARG 70 9.264 6.216 11.321 526 HH12 ARG 70 1HH2 ARG 70 8.650 7.453 12.368 527 HH21 ARG 70 2HH1 ARG 70 5.276 6.914 11.514 528 HH22 ARG 70 1HH1 ARG 70 6.367 7.852 12.479 529 H SER 71 H SER 71 10.608 0.063 8.528 530 HA SER 71 HA SER 71 12.684 1.917 7.680 531 HB2 SER 71 1HB SER 71 12.537 1.069 10.113 532 HB3 SER 71 2HB SER 71 13.021 -0.500 9.500 533 HG SER 71 HG SER 71 14.826 1.014 8.427 534 H GLY 72 H GLY 72 10.983 -0.294 6.179 535 HA2 GLY 72 1HA GLY 72 12.862 -2.311 5.438 536 HA3 GLY 72 2HA GLY 72 11.320 -1.955 4.686 537 HA PRO 73 HA PRO 73 13.597 -0.226 1.412 538 HB2 PRO 73 1HB PRO 73 11.567 0.941 0.002 539 HB3 PRO 73 2HB PRO 73 11.951 -0.765 -0.105 540 HG2 PRO 73 1HG PRO 73 9.701 0.543 1.297 541 HG3 PRO 73 2HG PRO 73 9.872 -1.135 0.821 542 HD2 PRO 73 1HD PRO 73 10.192 -0.060 3.460 543 HD3 PRO 73 2HD PRO 73 10.475 -1.716 2.961 544 H SER 74 H SER 74 15.049 1.349 1.595 545 HA SER 74 HA SER 74 14.763 3.461 3.191 546 HB2 SER 74 1HB SER 74 16.474 4.613 1.696 547 HB3 SER 74 2HB SER 74 16.901 2.992 2.209 548 HG SER 74 HG SER 74 16.452 3.975 -0.349 549 H SER 75 H SER 75 13.119 4.952 3.288 550 HA SER 75 HA SER 75 11.331 5.458 1.339 551 HB2 SER 75 1HB SER 75 12.196 6.758 3.838 552 HB3 SER 75 2HB SER 75 11.533 7.907 2.692 553 HG SER 75 HG SER 75 9.637 6.477 2.504 554 H GLY 76 H GLY 76 14.123 7.636 2.215 555 HA2 GLY 76 1HA GLY 76 15.376 9.020 0.963 556 HA3 GLY 76 2HA GLY 76 14.956 8.052 -0.437 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -3.732 -25.307 -12.535 2 HA2 GLY 1 1HA GLY 1 -2.263 -23.513 -13.469 3 HA3 GLY 1 2HA GLY 1 -3.646 -22.930 -12.564 4 H SER 2 H SER 2 -2.170 -20.959 -12.372 5 HA SER 2 HA SER 2 -1.028 -21.008 -9.796 6 HB2 SER 2 1HB SER 2 0.809 -21.947 -11.394 7 HB3 SER 2 2HB SER 2 0.931 -20.311 -12.010 8 HG SER 2 HG SER 2 1.916 -21.376 -9.655 9 H SER 3 H SER 3 -1.337 -18.972 -8.920 10 HA SER 3 HA SER 3 -2.398 -16.991 -10.666 11 HB2 SER 3 1HB SER 3 -2.979 -15.800 -8.669 12 HB3 SER 3 2HB SER 3 -3.234 -17.497 -8.313 13 HG SER 3 HG SER 3 -0.805 -17.270 -7.540 14 H GLY 4 H GLY 4 -1.566 -14.703 -10.700 15 HA2 GLY 4 1HA GLY 4 1.356 -14.719 -10.839 16 HA3 GLY 4 2HA GLY 4 0.262 -13.547 -11.544 17 H SER 5 H SER 5 2.224 -12.297 -10.345 18 HA SER 5 HA SER 5 0.958 -11.098 -8.110 19 HB2 SER 5 1HB SER 5 2.778 -11.459 -6.488 20 HB3 SER 5 2HB SER 5 2.070 -12.988 -6.969 21 HG SER 5 HG SER 5 3.933 -12.876 -8.694 22 H SER 6 H SER 6 2.471 -9.223 -7.252 23 HA SER 6 HA SER 6 4.421 -8.432 -9.207 24 HB2 SER 6 1HB SER 6 1.715 -7.271 -9.063 25 HB3 SER 6 2HB SER 6 2.967 -6.058 -8.886 26 HG SER 6 HG SER 6 3.168 -6.156 -11.008 27 H GLY 7 H GLY 7 5.460 -6.229 -8.446 28 HA2 GLY 7 1HA GLY 7 6.529 -5.073 -6.844 29 HA3 GLY 7 2HA GLY 7 5.113 -5.288 -5.834 30 H SER 8 H SER 8 6.639 -5.467 -3.998 31 HA SER 8 HA SER 8 7.294 -8.216 -3.588 32 HB2 SER 8 1HB SER 8 9.492 -6.108 -3.402 33 HB3 SER 8 2HB SER 8 9.658 -7.800 -2.978 34 HG SER 8 HG SER 8 10.393 -7.825 -5.035 35 H HIS 9 H HIS 9 6.664 -8.678 -1.508 36 HA HIS 9 HA HIS 9 6.156 -8.438 0.613 37 HB2 HIS 9 1HB HIS 9 8.570 -7.436 0.568 38 HB3 HIS 9 2HB HIS 9 7.763 -5.903 0.829 39 HD1 HIS 9 1HD HIS 9 9.193 -6.046 3.161 40 HD2 HIS 9 2HD HIS 9 5.956 -8.681 2.753 41 HE1 HIS 9 1HE HIS 9 8.643 -6.871 5.512 42 H GLN 10 H GLN 10 4.198 -7.828 1.405 43 HA GLN 10 HA GLN 10 2.969 -5.557 0.151 44 HB2 GLN 10 1HB GLN 10 0.895 -6.391 1.128 45 HB3 GLN 10 2HB GLN 10 1.755 -7.728 0.390 46 HG2 GLN 10 1HG GLN 10 2.516 -7.304 3.218 47 HG3 GLN 10 2HG GLN 10 0.808 -7.643 3.022 48 HE21 GLN 10 1HE2 GLN 10 2.958 -9.244 4.186 49 HE22 GLN 10 2HE2 GLN 10 2.984 -10.760 3.348 50 H LEU 11 H LEU 11 1.998 -3.771 1.337 51 HA LEU 11 HA LEU 11 3.259 -3.396 3.963 52 HB2 LEU 11 1HB LEU 11 3.626 -1.909 1.708 53 HB3 LEU 11 2HB LEU 11 2.319 -1.033 2.478 54 HG LEU 11 HG LEU 11 4.995 -1.684 3.745 55 HD11 LEU 11 1HD1 LEU 11 5.073 0.938 3.667 56 HD12 LEU 11 2HD1 LEU 11 5.538 -0.028 2.247 57 HD13 LEU 11 3HD1 LEU 11 3.928 0.726 2.322 58 HD21 LEU 11 1HD2 LEU 11 3.061 -1.600 5.335 59 HD22 LEU 11 2HD2 LEU 11 4.324 -0.381 5.631 60 HD23 LEU 11 3HD2 LEU 11 2.800 0.090 4.840 61 H ILE 12 H ILE 12 1.883 -3.526 5.645 62 HA ILE 12 HA ILE 12 -0.949 -3.379 5.113 63 HB ILE 12 HB ILE 12 0.753 -4.150 7.462 64 HG12 ILE 12 1HG1 ILE 12 -1.237 -6.059 6.849 65 HG13 ILE 12 2HG1 ILE 12 -0.603 -5.521 5.307 66 HG21 ILE 12 1HG2 ILE 12 -2.269 -3.953 7.512 67 HG22 ILE 12 2HG2 ILE 12 -1.190 -4.475 8.829 68 HG23 ILE 12 3HG2 ILE 12 -1.167 -2.783 8.277 69 HD11 ILE 12 1HD1 ILE 12 0.731 -7.410 6.157 70 HD12 ILE 12 2HD1 ILE 12 1.728 -5.935 6.123 71 HD13 ILE 12 3HD1 ILE 12 1.060 -6.523 7.665 72 H VAL 13 H VAL 13 -1.847 -1.394 4.900 73 HA VAL 13 HA VAL 13 -1.077 0.591 6.922 74 HB VAL 13 HB VAL 13 -1.347 2.323 5.212 75 HG11 VAL 13 1HG1 VAL 13 0.869 2.137 5.051 76 HG12 VAL 13 2HG1 VAL 13 0.783 0.388 5.372 77 HG13 VAL 13 3HG1 VAL 13 0.647 0.995 3.704 78 HG21 VAL 13 1HG2 VAL 13 -1.185 0.422 2.944 79 HG22 VAL 13 2HG2 VAL 13 -2.759 0.505 3.772 80 HG23 VAL 13 3HG2 VAL 13 -2.036 1.979 3.083 81 H LYS 14 H LYS 14 -2.784 1.869 7.752 82 HA LYS 14 HA LYS 14 -5.432 0.812 7.059 83 HB2 LYS 14 1HB LYS 14 -4.617 0.399 9.379 84 HB3 LYS 14 2HB LYS 14 -4.524 2.131 9.634 85 HG2 LYS 14 1HG LYS 14 -6.657 1.379 10.513 86 HG3 LYS 14 2HG LYS 14 -6.985 2.304 9.063 87 HD2 LYS 14 1HD LYS 14 -8.118 0.521 8.242 88 HD3 LYS 14 2HD LYS 14 -6.600 -0.349 8.145 89 HE2 LYS 14 1HE LYS 14 -6.888 -1.283 10.372 90 HE3 LYS 14 2HE LYS 14 -8.233 -0.214 10.718 91 HZ1 LYS 14 1HZ LYS 14 -8.774 -1.634 8.381 92 HZ2 LYS 14 2HZ LYS 14 -8.328 -2.697 9.537 93 HZ3 LYS 14 3HZ LYS 14 -9.575 -1.677 9.803 94 H ALA 15 H ALA 15 -7.124 2.230 6.554 95 HA ALA 15 HA ALA 15 -6.397 4.601 5.289 96 HB1 ALA 15 1HB ALA 15 -8.373 3.558 4.554 97 HB2 ALA 15 2HB ALA 15 -8.997 3.358 6.210 98 HB3 ALA 15 3HB ALA 15 -8.974 4.970 5.457 99 H ARG 16 H ARG 16 -7.518 6.800 5.888 100 HA ARG 16 HA ARG 16 -6.910 7.218 8.699 101 HB2 ARG 16 1HB ARG 16 -5.450 8.516 7.226 102 HB3 ARG 16 2HB ARG 16 -6.813 9.101 6.294 103 HG2 ARG 16 1HG ARG 16 -7.680 10.192 8.459 104 HG3 ARG 16 2HG ARG 16 -6.138 9.790 9.187 105 HD2 ARG 16 1HD ARG 16 -5.638 11.046 6.621 106 HD3 ARG 16 2HD ARG 16 -6.768 12.042 7.515 107 HE ARG 16 HE ARG 16 -3.967 11.640 8.141 108 HH11 ARG 16 2HH2 ARG 16 -7.106 12.226 9.620 109 HH12 ARG 16 1HH2 ARG 16 -6.444 12.978 11.032 110 HH21 ARG 16 2HH1 ARG 16 -3.092 12.632 10.004 111 HH22 ARG 16 1HH1 ARG 16 -4.145 13.211 11.252 112 H PHE 17 H PHE 17 -9.009 8.523 6.016 113 HA PHE 17 HA PHE 17 -11.249 8.504 7.863 114 HB2 PHE 17 1HB PHE 17 -11.649 10.864 7.583 115 HB3 PHE 17 2HB PHE 17 -9.911 10.781 7.792 116 HD1 PHE 17 2HD PHE 17 -12.570 11.021 5.220 117 HD2 PHE 17 1HD PHE 17 -8.459 11.570 6.117 118 HE1 PHE 17 2HE PHE 17 -12.251 12.206 3.030 119 HE2 PHE 17 1HE PHE 17 -8.140 12.754 3.928 120 HZ PHE 17 HZ PHE 17 -10.039 13.059 2.410 121 H ASN 18 H ASN 18 -13.346 9.109 6.628 122 HA ASN 18 HA ASN 18 -13.728 7.373 4.616 123 HB2 ASN 18 1HB ASN 18 -15.136 9.776 5.662 124 HB3 ASN 18 2HB ASN 18 -15.536 9.421 3.993 125 HD21 ASN 18 1HD2 ASN 18 -17.321 8.316 3.843 126 HD22 ASN 18 2HD2 ASN 18 -17.841 7.007 4.850 127 H PHE 19 H PHE 19 -12.147 7.424 2.918 128 HA PHE 19 HA PHE 19 -11.787 9.963 1.531 129 HB2 PHE 19 1HB PHE 19 -9.738 8.772 2.098 130 HB3 PHE 19 2HB PHE 19 -10.428 7.223 1.654 131 HD1 PHE 19 1HD PHE 19 -10.556 6.542 -0.686 132 HD2 PHE 19 2HD PHE 19 -8.829 10.259 0.411 133 HE1 PHE 19 1HE PHE 19 -9.515 6.730 -2.963 134 HE2 PHE 19 2HE PHE 19 -7.787 10.447 -1.865 135 HZ PHE 19 HZ PHE 19 -8.142 8.681 -3.524 136 H LYS 20 H LYS 20 -12.163 10.204 -0.726 137 HA LYS 20 HA LYS 20 -13.904 8.110 -1.824 138 HB2 LYS 20 1HB LYS 20 -14.898 10.397 -1.317 139 HB3 LYS 20 2HB LYS 20 -13.885 11.037 -2.596 140 HG2 LYS 20 1HG LYS 20 -14.949 9.650 -4.270 141 HG3 LYS 20 2HG LYS 20 -15.742 8.665 -3.057 142 HD2 LYS 20 1HD LYS 20 -17.150 10.565 -2.360 143 HD3 LYS 20 2HD LYS 20 -16.285 11.647 -3.433 144 HE2 LYS 20 1HE LYS 20 -17.064 9.610 -5.169 145 HE3 LYS 20 2HE LYS 20 -18.418 9.681 -4.058 146 HZ1 LYS 20 1HZ LYS 20 -18.847 11.238 -5.711 147 HZ2 LYS 20 2HZ LYS 20 -18.353 12.141 -4.443 148 HZ3 LYS 20 3HZ LYS 20 -17.336 11.858 -5.690 149 H GLN 21 H GLN 21 -13.267 7.065 -3.651 150 HA GLN 21 HA GLN 21 -10.661 7.579 -4.586 151 HB2 GLN 21 1HB GLN 21 -11.019 5.666 -6.036 152 HB3 GLN 21 2HB GLN 21 -11.727 5.307 -4.473 153 HG2 GLN 21 1HG GLN 21 -13.962 6.197 -5.462 154 HG3 GLN 21 2HG GLN 21 -13.174 6.120 -7.026 155 HE21 GLN 21 1HE2 GLN 21 -11.548 3.878 -6.623 156 HE22 GLN 21 2HE2 GLN 21 -12.531 2.455 -6.525 157 H THR 22 H THR 22 -9.964 8.436 -6.604 158 HA THR 22 HA THR 22 -11.746 10.378 -7.726 159 HB THR 22 HB THR 22 -9.703 10.923 -9.071 160 HG1 THR 22 1HG THR 22 -9.035 8.656 -9.298 161 HG21 THR 22 1HG2 THR 22 -9.885 11.126 -6.284 162 HG22 THR 22 2HG2 THR 22 -8.347 10.261 -6.521 163 HG23 THR 22 3HG2 THR 22 -8.600 11.850 -7.280 164 H ASN 23 H ASN 23 -11.032 7.032 -8.331 165 HA ASN 23 HA ASN 23 -12.791 7.185 -10.594 166 HB2 ASN 23 1HB ASN 23 -10.384 7.389 -11.476 167 HB3 ASN 23 2HB ASN 23 -10.075 5.790 -10.830 168 HD21 ASN 23 1HD2 ASN 23 -9.645 4.963 -12.860 169 HD22 ASN 23 2HD2 ASN 23 -10.876 4.619 -14.028 170 H GLU 24 H GLU 24 -13.369 4.816 -11.298 171 HA GLU 24 HA GLU 24 -13.826 3.332 -8.935 172 HB2 GLU 24 1HB GLU 24 -15.081 1.812 -10.399 173 HB3 GLU 24 2HB GLU 24 -15.483 3.474 -10.777 174 HG2 GLU 24 1HG GLU 24 -13.512 3.248 -12.553 175 HG3 GLU 24 2HG GLU 24 -13.792 1.529 -12.364 176 H ASP 25 H ASP 25 -11.164 3.606 -11.020 177 HA ASP 25 HA ASP 25 -10.432 0.828 -10.765 178 HB2 ASP 25 1HB ASP 25 -10.069 2.442 -12.838 179 HB3 ASP 25 2HB ASP 25 -8.677 3.006 -11.935 180 H GLU 26 H GLU 26 -10.133 3.857 -9.136 181 HA GLU 26 HA GLU 26 -7.535 3.293 -8.054 182 HB2 GLU 26 1HB GLU 26 -8.807 5.634 -8.609 183 HB3 GLU 26 2HB GLU 26 -9.235 5.480 -6.916 184 HG2 GLU 26 1HG GLU 26 -7.131 6.019 -6.242 185 HG3 GLU 26 2HG GLU 26 -6.412 4.825 -7.304 186 H LEU 27 H LEU 27 -7.293 3.495 -5.545 187 HA LEU 27 HA LEU 27 -9.024 1.513 -4.414 188 HB2 LEU 27 1HB LEU 27 -6.389 2.388 -4.049 189 HB3 LEU 27 2HB LEU 27 -7.214 2.805 -2.560 190 HG LEU 27 HG LEU 27 -6.085 0.565 -2.582 191 HD11 LEU 27 1HD1 LEU 27 -7.477 0.480 -0.831 192 HD12 LEU 27 2HD1 LEU 27 -8.841 1.163 -1.750 193 HD13 LEU 27 3HD1 LEU 27 -8.468 -0.574 -1.867 194 HD21 LEU 27 1HD2 LEU 27 -6.400 -0.853 -4.256 195 HD22 LEU 27 2HD2 LEU 27 -8.125 -0.972 -3.833 196 HD23 LEU 27 3HD2 LEU 27 -7.578 0.259 -4.996 197 H SER 28 H SER 28 -10.858 1.852 -3.277 198 HA SER 28 HA SER 28 -11.286 4.591 -2.375 199 HB2 SER 28 1HB SER 28 -13.321 4.522 -3.351 200 HB3 SER 28 2HB SER 28 -12.860 2.996 -4.079 201 HG SER 28 HG SER 28 -13.719 1.891 -2.199 202 H VAL 29 H VAL 29 -10.767 4.631 -0.201 203 HA VAL 29 HA VAL 29 -11.694 2.362 1.413 204 HB VAL 29 HB VAL 29 -10.019 3.558 3.061 205 HG11 VAL 29 1HG1 VAL 29 -9.927 1.328 1.379 206 HG12 VAL 29 2HG1 VAL 29 -8.388 2.172 1.085 207 HG13 VAL 29 3HG1 VAL 29 -8.835 1.687 2.738 208 HG21 VAL 29 1HG2 VAL 29 -9.713 5.407 1.245 209 HG22 VAL 29 2HG2 VAL 29 -8.290 4.803 2.127 210 HG23 VAL 29 3HG2 VAL 29 -8.625 4.227 0.476 211 H CYS 30 H CYS 30 -12.279 3.070 3.759 212 HA CYS 30 HA CYS 30 -13.685 5.633 3.641 213 HB2 CYS 30 1HB CYS 30 -14.815 2.924 4.242 214 HB3 CYS 30 2HB CYS 30 -15.425 4.293 5.151 215 HG CYS 30 HG CYS 30 -15.532 3.538 1.978 216 H LYS 31 H LYS 31 -12.986 2.839 5.882 217 HA LYS 31 HA LYS 31 -11.183 4.255 7.462 218 HB2 LYS 31 1HB LYS 31 -13.638 5.316 7.894 219 HB3 LYS 31 2HB LYS 31 -13.668 4.018 9.071 220 HG2 LYS 31 1HG LYS 31 -11.920 4.914 10.327 221 HG3 LYS 31 2HG LYS 31 -11.152 5.656 8.939 222 HD2 LYS 31 1HD LYS 31 -12.046 7.614 9.683 223 HD3 LYS 31 2HD LYS 31 -13.569 7.027 9.045 224 HE2 LYS 31 1HE LYS 31 -13.976 7.664 11.342 225 HE3 LYS 31 2HE LYS 31 -14.007 5.913 11.293 226 HZ1 LYS 31 1HZ LYS 31 -11.971 7.664 12.392 227 HZ2 LYS 31 2HZ LYS 31 -12.611 6.298 13.018 228 HZ3 LYS 31 3HZ LYS 31 -11.506 6.206 11.820 229 H GLY 32 H GLY 32 -10.162 2.847 8.906 230 HA2 GLY 32 1HA GLY 32 -9.479 0.794 9.551 231 HA3 GLY 32 2HA GLY 32 -11.117 0.645 10.157 232 H ASP 33 H ASP 33 -9.456 0.557 6.914 233 HA ASP 33 HA ASP 33 -11.102 -1.784 6.356 234 HB2 ASP 33 1HB ASP 33 -9.710 -0.316 4.138 235 HB3 ASP 33 2HB ASP 33 -11.272 -1.111 4.130 236 H ILE 34 H ILE 34 -7.872 -0.217 6.245 237 HA ILE 34 HA ILE 34 -5.827 -1.061 6.210 238 HB ILE 34 HB ILE 34 -7.430 -3.333 7.050 239 HG12 ILE 34 1HG1 ILE 34 -6.261 -2.146 8.701 240 HG13 ILE 34 2HG1 ILE 34 -5.372 -3.644 8.517 241 HG21 ILE 34 1HG2 ILE 34 -6.554 -4.573 5.245 242 HG22 ILE 34 2HG2 ILE 34 -4.935 -3.856 5.429 243 HG23 ILE 34 3HG2 ILE 34 -5.550 -4.993 6.653 244 HD11 ILE 34 1HD1 ILE 34 -4.558 -0.860 7.838 245 HD12 ILE 34 2HD1 ILE 34 -3.562 -2.247 8.343 246 HD13 ILE 34 3HD1 ILE 34 -4.088 -2.099 6.649 247 H ILE 35 H ILE 35 -4.707 -0.750 4.370 248 HA ILE 35 HA ILE 35 -5.599 -2.273 2.020 249 HB ILE 35 HB ILE 35 -4.328 0.465 2.032 250 HG12 ILE 35 1HG1 ILE 35 -7.046 0.492 1.121 251 HG13 ILE 35 2HG1 ILE 35 -7.005 -0.246 2.710 252 HG21 ILE 35 1HG2 ILE 35 -5.644 -1.152 -0.169 253 HG22 ILE 35 2HG2 ILE 35 -5.050 0.519 -0.318 254 HG23 ILE 35 3HG2 ILE 35 -3.906 -0.807 0.002 255 HD11 ILE 35 1HD1 ILE 35 -5.261 1.866 3.068 256 HD12 ILE 35 2HD1 ILE 35 -6.429 2.552 1.914 257 HD13 ILE 35 3HD1 ILE 35 -6.993 1.907 3.473 258 H TYR 36 H TYR 36 -4.059 -3.424 0.884 259 HA TYR 36 HA TYR 36 -1.440 -3.537 2.175 260 HB2 TYR 36 1HB TYR 36 -2.960 -5.250 0.109 261 HB3 TYR 36 2HB TYR 36 -1.382 -5.678 0.739 262 HD1 TYR 36 1HD TYR 36 -1.390 -5.503 3.520 263 HD2 TYR 36 2HD TYR 36 -4.703 -6.480 0.996 264 HE1 TYR 36 1HE TYR 36 -2.502 -6.738 5.445 265 HE2 TYR 36 2HE TYR 36 -5.804 -7.712 2.929 266 HH TYR 36 HH TYR 36 -5.774 -7.958 5.153 267 H VAL 37 H VAL 37 0.101 -2.234 1.311 268 HA VAL 37 HA VAL 37 -0.128 -1.337 -1.399 269 HB VAL 37 HB VAL 37 2.191 -0.998 0.501 270 HG11 VAL 37 1HG1 VAL 37 2.127 -0.305 -2.065 271 HG12 VAL 37 2HG1 VAL 37 1.248 1.099 -1.415 272 HG13 VAL 37 3HG1 VAL 37 2.890 0.732 -0.835 273 HG21 VAL 37 1HG2 VAL 37 1.000 0.319 1.855 274 HG22 VAL 37 2HG2 VAL 37 0.357 1.245 0.477 275 HG23 VAL 37 3HG2 VAL 37 -0.467 -0.238 1.016 276 H THR 38 H THR 38 0.628 -2.361 -3.176 277 HA THR 38 HA THR 38 2.580 -4.518 -2.728 278 HB THR 38 HB THR 38 0.578 -5.444 -3.647 279 HG1 THR 38 1HG THR 38 2.281 -6.102 -5.008 280 HG21 THR 38 1HG2 THR 38 -0.529 -4.443 -5.677 281 HG22 THR 38 2HG2 THR 38 -0.617 -3.357 -4.271 282 HG23 THR 38 3HG2 THR 38 0.571 -3.050 -5.560 283 H ARG 39 H ARG 39 1.746 -1.710 -4.830 284 HA ARG 39 HA ARG 39 4.106 -2.002 -6.325 285 HB2 ARG 39 1HB ARG 39 2.093 -0.852 -7.218 286 HB3 ARG 39 2HB ARG 39 2.217 0.380 -5.978 287 HG2 ARG 39 1HG ARG 39 3.742 1.552 -7.186 288 HG3 ARG 39 2HG ARG 39 4.765 0.142 -7.374 289 HD2 ARG 39 1HD ARG 39 2.248 0.313 -9.040 290 HD3 ARG 39 2HD ARG 39 3.616 1.309 -9.496 291 HE ARG 39 HE ARG 39 4.552 -1.356 -9.012 292 HH11 ARG 39 2HH2 ARG 39 2.622 0.454 -11.333 293 HH12 ARG 39 1HH2 ARG 39 2.989 -0.604 -12.655 294 HH21 ARG 39 2HH1 ARG 39 5.035 -2.751 -10.756 295 HH22 ARG 39 1HH1 ARG 39 4.370 -2.439 -12.324 296 H VAL 40 H VAL 40 3.072 0.836 -4.290 297 HA VAL 40 HA VAL 40 4.162 1.979 -2.720 298 HB VAL 40 HB VAL 40 6.495 0.089 -3.054 299 HG11 VAL 40 1HG1 VAL 40 6.049 1.050 -0.376 300 HG12 VAL 40 2HG1 VAL 40 7.469 1.263 -1.427 301 HG13 VAL 40 3HG1 VAL 40 6.125 2.429 -1.499 302 HG21 VAL 40 1HG2 VAL 40 4.589 -0.318 -0.813 303 HG22 VAL 40 2HG2 VAL 40 4.012 -0.787 -2.430 304 HG23 VAL 40 3HG2 VAL 40 5.504 -1.503 -1.775 305 H GLU 41 H GLU 41 4.003 3.565 -4.510 306 HA GLU 41 HA GLU 41 6.566 3.965 -5.823 307 HB2 GLU 41 1HB GLU 41 3.740 4.860 -6.471 308 HB3 GLU 41 2HB GLU 41 5.120 5.646 -7.210 309 HG2 GLU 41 1HG GLU 41 5.330 2.703 -7.310 310 HG3 GLU 41 2HG GLU 41 3.882 3.290 -8.105 311 H GLU 42 H GLU 42 7.522 6.135 -5.866 312 HA GLU 42 HA GLU 42 6.795 7.583 -3.458 313 HB2 GLU 42 1HB GLU 42 9.044 8.523 -3.532 314 HB3 GLU 42 2HB GLU 42 9.151 6.783 -3.701 315 HG2 GLU 42 1HG GLU 42 10.127 6.965 -5.743 316 HG3 GLU 42 2HG GLU 42 8.839 7.997 -6.332 317 H GLY 43 H GLY 43 6.129 7.617 -6.736 318 HA2 GLY 43 1HA GLY 43 6.553 10.197 -7.623 319 HA3 GLY 43 2HA GLY 43 5.231 9.154 -8.107 320 H GLY 44 H GLY 44 3.744 8.852 -5.750 321 HA2 GLY 44 1HA GLY 44 3.269 10.975 -4.121 322 HA3 GLY 44 2HA GLY 44 2.454 11.421 -5.607 323 H TRP 45 H TRP 45 1.834 8.625 -6.426 324 HA TRP 45 HA TRP 45 -0.382 8.213 -4.560 325 HB2 TRP 45 1HB TRP 45 0.009 7.304 -7.416 326 HB3 TRP 45 2HB TRP 45 -1.378 6.917 -6.417 327 HD1 TRP 45 HD TRP 45 0.330 10.104 -7.889 328 HE1 TRP 45 1HE TRP 45 -1.458 11.991 -8.338 329 HE3 TRP 45 3HE TRP 45 -3.607 7.576 -5.898 330 HZ2 TRP 45 2HZ TRP 45 -4.256 12.210 -7.822 331 HZ3 TRP 45 3HZ TRP 45 -5.834 8.698 -5.911 332 HH2 TRP 45 HH TRP 45 -6.192 10.935 -6.830 333 H TRP 46 H TRP 46 -0.978 5.821 -4.220 334 HA TRP 46 HA TRP 46 1.397 4.111 -4.306 335 HB2 TRP 46 1HB TRP 46 0.199 5.255 -1.937 336 HB3 TRP 46 2HB TRP 46 0.080 3.506 -1.905 337 HD1 TRP 46 HD TRP 46 3.160 5.030 -3.607 338 HE1 TRP 46 1HE TRP 46 5.357 4.580 -2.217 339 HE3 TRP 46 3HE TRP 46 0.809 3.157 0.494 340 HZ2 TRP 46 2HZ TRP 46 5.855 3.516 0.384 341 HZ3 TRP 46 3HZ TRP 46 2.224 2.436 2.415 342 HH2 TRP 46 HH TRP 46 4.663 2.591 2.406 343 H GLU 47 H GLU 47 0.890 2.031 -4.969 344 HA GLU 47 HA GLU 47 -1.953 1.547 -5.356 345 HB2 GLU 47 1HB GLU 47 -0.975 1.393 -7.475 346 HB3 GLU 47 2HB GLU 47 0.528 0.736 -6.857 347 HG2 GLU 47 1HG GLU 47 -0.583 -1.426 -6.364 348 HG3 GLU 47 2HG GLU 47 -2.125 -0.777 -6.883 349 H GLY 48 H GLY 48 -2.902 0.170 -3.923 350 HA2 GLY 48 1HA GLY 48 -1.255 -2.046 -2.866 351 HA3 GLY 48 2HA GLY 48 -2.246 -1.052 -1.816 352 H THR 49 H THR 49 -3.543 -2.879 -1.173 353 HA THR 49 HA THR 49 -5.660 -3.441 -3.080 354 HB THR 49 HB THR 49 -3.579 -5.411 -2.138 355 HG1 THR 49 1HG THR 49 -3.612 -5.016 -4.356 356 HG21 THR 49 1HG2 THR 49 -6.550 -5.880 -2.153 357 HG22 THR 49 2HG2 THR 49 -5.547 -7.092 -2.986 358 HG23 THR 49 3HG2 THR 49 -5.277 -6.746 -1.261 359 H LEU 50 H LEU 50 -7.629 -3.574 -2.133 360 HA LEU 50 HA LEU 50 -7.591 -3.588 0.805 361 HB2 LEU 50 1HB LEU 50 -8.251 -1.446 -0.081 362 HB3 LEU 50 2HB LEU 50 -9.438 -2.192 -1.133 363 HG LEU 50 HG LEU 50 -10.729 -2.929 0.842 364 HD11 LEU 50 1HD1 LEU 50 -8.659 -2.971 2.347 365 HD12 LEU 50 2HD1 LEU 50 -8.927 -1.223 2.557 366 HD13 LEU 50 3HD1 LEU 50 -10.182 -2.383 3.054 367 HD21 LEU 50 1HD2 LEU 50 -11.768 -1.040 0.242 368 HD22 LEU 50 2HD2 LEU 50 -10.991 -0.332 1.678 369 HD23 LEU 50 3HD2 LEU 50 -10.244 -0.135 0.074 370 H ASN 51 H ASN 51 -9.772 -4.418 1.735 371 HA ASN 51 HA ASN 51 -10.007 -7.025 1.243 372 HB2 ASN 51 1HB ASN 51 -12.040 -4.974 2.203 373 HB3 ASN 51 2HB ASN 51 -12.507 -6.656 2.066 374 HD21 ASN 51 1HD2 ASN 51 -11.214 -4.334 4.037 375 HD22 ASN 51 2HD2 ASN 51 -10.457 -5.315 5.248 376 H GLY 52 H GLY 52 -10.070 -7.634 -1.001 377 HA2 GLY 52 1HA GLY 52 -11.077 -8.193 -2.935 378 HA3 GLY 52 2HA GLY 52 -12.610 -7.703 -2.243 379 H ARG 53 H ARG 53 -9.786 -5.515 -2.450 380 HA ARG 53 HA ARG 53 -11.047 -4.214 -4.708 381 HB2 ARG 53 1HB ARG 53 -10.958 -3.189 -1.983 382 HB3 ARG 53 2HB ARG 53 -10.004 -2.143 -3.015 383 HG2 ARG 53 1HG ARG 53 -11.895 -1.835 -4.554 384 HG3 ARG 53 2HG ARG 53 -12.846 -3.029 -3.694 385 HD2 ARG 53 1HD ARG 53 -12.439 -1.455 -1.594 386 HD3 ARG 53 2HD ARG 53 -12.062 -0.240 -2.799 387 HE ARG 53 HE ARG 53 -14.324 -0.211 -3.483 388 HH11 ARG 53 2HH2 ARG 53 -13.752 -2.881 -1.262 389 HH12 ARG 53 1HH2 ARG 53 -15.435 -3.225 -1.041 390 HH21 ARG 53 2HH1 ARG 53 -16.544 -0.666 -3.192 391 HH22 ARG 53 1HH1 ARG 53 -17.034 -1.956 -2.146 392 H THR 54 H THR 54 -9.508 -2.605 -5.785 393 HA THR 54 HA THR 54 -6.742 -2.726 -5.025 394 HB THR 54 HB THR 54 -7.697 -4.114 -7.587 395 HG1 THR 54 1HG THR 54 -7.969 -5.536 -5.839 396 HG21 THR 54 1HG2 THR 54 -4.933 -4.409 -6.434 397 HG22 THR 54 2HG2 THR 54 -5.456 -4.451 -8.135 398 HG23 THR 54 3HG2 THR 54 -5.279 -2.891 -7.296 399 H GLY 55 H GLY 55 -5.475 -1.137 -6.043 400 HA2 GLY 55 1HA GLY 55 -5.872 0.306 -8.254 401 HA3 GLY 55 2HA GLY 55 -7.069 1.007 -7.183 402 H TRP 56 H TRP 56 -5.738 3.018 -7.423 403 HA TRP 56 HA TRP 56 -3.308 2.912 -5.779 404 HB2 TRP 56 1HB TRP 56 -4.179 4.888 -7.893 405 HB3 TRP 56 2HB TRP 56 -2.765 5.079 -6.876 406 HD1 TRP 56 HD TRP 56 -4.078 2.351 -9.365 407 HE1 TRP 56 1HE TRP 56 -2.073 1.318 -10.735 408 HE3 TRP 56 3HE TRP 56 -0.426 5.014 -7.036 409 HZ2 TRP 56 2HZ TRP 56 0.752 1.722 -10.692 410 HZ3 TRP 56 3HZ TRP 56 1.930 4.635 -7.759 411 HH2 TRP 56 HH TRP 56 2.543 3.055 -9.521 412 H PHE 57 H PHE 57 -2.997 4.940 -4.386 413 HA PHE 57 HA PHE 57 -5.229 6.543 -3.780 414 HB2 PHE 57 1HB PHE 57 -5.775 5.537 -1.589 415 HB3 PHE 57 2HB PHE 57 -5.897 4.275 -2.799 416 HD1 PHE 57 1HD PHE 57 -3.755 5.628 -0.113 417 HD2 PHE 57 2HD PHE 57 -4.489 2.364 -2.724 418 HE1 PHE 57 1HE PHE 57 -2.137 4.220 1.192 419 HE2 PHE 57 2HE PHE 57 -2.872 0.957 -1.419 420 HZ PHE 57 HZ PHE 57 -1.715 1.901 0.523 421 HA PRO 58 HA PRO 58 -2.074 8.726 -1.773 422 HB2 PRO 58 1HB PRO 58 -3.417 10.234 0.069 423 HB3 PRO 58 2HB PRO 58 -3.344 10.641 -1.634 424 HG2 PRO 58 1HG PRO 58 -5.593 9.492 -0.098 425 HG3 PRO 58 2HG PRO 58 -5.623 10.289 -1.658 426 HD2 PRO 58 1HD PRO 58 -5.798 7.468 -1.169 427 HD3 PRO 58 2HD PRO 58 -5.711 8.257 -2.731 428 H SER 59 H SER 59 -0.475 7.765 -0.698 429 HA SER 59 HA SER 59 -1.211 6.190 1.548 430 HB2 SER 59 1HB SER 59 1.280 5.780 1.691 431 HB3 SER 59 2HB SER 59 0.570 5.374 0.141 432 HG SER 59 HG SER 59 2.551 7.188 0.712 433 H ASN 60 H ASN 60 -0.440 9.504 0.980 434 HA ASN 60 HA ASN 60 0.922 10.013 3.380 435 HB2 ASN 60 1HB ASN 60 -0.093 11.516 1.077 436 HB3 ASN 60 2HB ASN 60 -0.452 12.382 2.557 437 HD21 ASN 60 1HD2 ASN 60 1.443 12.915 0.362 438 HD22 ASN 60 2HD2 ASN 60 3.006 13.107 1.085 439 H TYR 61 H TYR 61 -2.490 9.948 2.274 440 HA TYR 61 HA TYR 61 -3.579 11.252 4.541 441 HB2 TYR 61 1HB TYR 61 -4.510 9.372 2.301 442 HB3 TYR 61 2HB TYR 61 -5.647 9.897 3.528 443 HD1 TYR 61 2HD TYR 61 -2.978 11.638 1.527 444 HD2 TYR 61 1HD TYR 61 -7.084 11.523 2.726 445 HE1 TYR 61 2HE TYR 61 -3.430 13.764 0.208 446 HE2 TYR 61 1HE TYR 61 -7.522 13.650 1.403 447 HH TYR 61 HH TYR 61 -6.641 14.883 -0.360 448 H VAL 62 H VAL 62 -3.761 7.764 3.505 449 HA VAL 62 HA VAL 62 -4.762 6.884 5.953 450 HB VAL 62 HB VAL 62 -4.413 4.714 5.109 451 HG11 VAL 62 1HG1 VAL 62 -4.640 5.862 2.417 452 HG12 VAL 62 2HG1 VAL 62 -5.811 4.910 3.362 453 HG13 VAL 62 3HG1 VAL 62 -5.679 6.666 3.618 454 HG21 VAL 62 1HG2 VAL 62 -2.845 4.077 3.430 455 HG22 VAL 62 2HG2 VAL 62 -2.465 5.772 3.042 456 HG23 VAL 62 3HG2 VAL 62 -1.959 5.081 4.602 457 H ARG 63 H ARG 63 -3.302 4.908 7.042 458 HA ARG 63 HA ARG 63 -0.750 6.160 7.654 459 HB2 ARG 63 1HB ARG 63 -2.866 6.165 9.416 460 HB3 ARG 63 2HB ARG 63 -2.105 4.650 9.859 461 HG2 ARG 63 1HG ARG 63 -0.592 5.821 11.073 462 HG3 ARG 63 2HG ARG 63 0.045 6.476 9.577 463 HD2 ARG 63 1HD ARG 63 -1.803 8.268 9.706 464 HD3 ARG 63 2HD ARG 63 -2.151 7.684 11.321 465 HE ARG 63 HE ARG 63 -0.200 8.722 12.094 466 HH11 ARG 63 2HH2 ARG 63 -0.046 8.443 8.590 467 HH12 ARG 63 1HH2 ARG 63 1.394 9.397 8.450 468 HH21 ARG 63 2HH1 ARG 63 1.698 9.982 11.910 469 HH22 ARG 63 1HH1 ARG 63 2.392 10.278 10.351 470 H GLU 64 H GLU 64 0.943 4.621 8.364 471 HA GLU 64 HA GLU 64 0.445 2.014 7.227 472 HB2 GLU 64 1HB GLU 64 2.434 3.036 6.386 473 HB3 GLU 64 2HB GLU 64 2.952 3.552 7.979 474 HG2 GLU 64 1HG GLU 64 3.296 1.175 8.652 475 HG3 GLU 64 2HG GLU 64 2.739 0.638 7.079 476 H ILE 65 H ILE 65 1.144 0.027 8.379 477 HA ILE 65 HA ILE 65 0.881 0.388 11.280 478 HB ILE 65 HB ILE 65 0.164 -2.019 9.604 479 HG12 ILE 65 1HG1 ILE 65 -1.242 0.016 9.155 480 HG13 ILE 65 2HG1 ILE 65 -2.115 -1.384 9.746 481 HG21 ILE 65 1HG2 ILE 65 -0.911 -2.851 11.613 482 HG22 ILE 65 2HG2 ILE 65 0.812 -2.534 11.925 483 HG23 ILE 65 3HG2 ILE 65 -0.424 -1.393 12.511 484 HD11 ILE 65 1HD1 ILE 65 -2.799 0.759 10.874 485 HD12 ILE 65 2HD1 ILE 65 -2.189 -0.462 12.016 486 HD13 ILE 65 3HD1 ILE 65 -1.151 0.899 11.530 487 H LYS 66 H LYS 66 2.300 -1.912 8.843 488 HA LYS 66 HA LYS 66 4.080 -3.153 10.463 489 HB2 LYS 66 1HB LYS 66 4.208 -2.393 7.545 490 HB3 LYS 66 2HB LYS 66 5.498 -3.303 8.306 491 HG2 LYS 66 1HG LYS 66 3.009 -4.502 9.119 492 HG3 LYS 66 2HG LYS 66 2.927 -4.256 7.386 493 HD2 LYS 66 1HD LYS 66 4.171 -6.141 7.157 494 HD3 LYS 66 2HD LYS 66 5.534 -5.227 7.773 495 HE2 LYS 66 1HE LYS 66 4.987 -5.901 10.093 496 HE3 LYS 66 2HE LYS 66 3.542 -6.725 9.542 497 HZ1 LYS 66 1HZ LYS 66 5.052 -8.401 9.617 498 HZ2 LYS 66 2HZ LYS 66 5.217 -7.966 8.052 499 HZ3 LYS 66 3HZ LYS 66 6.320 -7.482 9.156 500 H SER 67 H SER 67 5.949 -2.673 11.533 501 HA SER 67 HA SER 67 6.757 0.093 11.383 502 HB2 SER 67 1HB SER 67 7.073 -2.141 13.370 503 HB3 SER 67 2HB SER 67 8.304 -0.894 13.365 504 HG SER 67 HG SER 67 6.520 -0.420 14.826 505 H SER 68 H SER 68 7.586 -2.955 10.061 506 HA SER 68 HA SER 68 10.395 -2.308 9.895 507 HB2 SER 68 1HB SER 68 8.719 -4.746 9.538 508 HB3 SER 68 2HB SER 68 10.078 -4.623 8.437 509 HG SER 68 HG SER 68 10.973 -5.608 10.194 510 H GLU 69 H GLU 69 7.506 -1.653 8.235 511 HA GLU 69 HA GLU 69 8.680 -1.804 5.617 512 HB2 GLU 69 1HB GLU 69 5.938 -1.014 6.663 513 HB3 GLU 69 2HB GLU 69 6.379 -0.771 4.984 514 HG2 GLU 69 1HG GLU 69 6.638 -3.470 6.384 515 HG3 GLU 69 2HG GLU 69 5.190 -2.984 5.525 516 H ARG 70 H ARG 70 7.724 0.624 8.083 517 HA ARG 70 HA ARG 70 8.070 2.837 6.452 518 HB2 ARG 70 1HB ARG 70 8.258 4.087 8.654 519 HB3 ARG 70 2HB ARG 70 6.863 3.031 8.561 520 HG2 ARG 70 1HG ARG 70 7.700 1.539 10.130 521 HG3 ARG 70 2HG ARG 70 9.367 1.796 9.652 522 HD2 ARG 70 1HD ARG 70 9.669 3.508 11.153 523 HD3 ARG 70 2HD ARG 70 8.102 4.216 10.814 524 HE ARG 70 HE ARG 70 8.007 1.684 12.322 525 HH11 ARG 70 2HH2 ARG 70 8.094 5.198 12.495 526 HH12 ARG 70 1HH2 ARG 70 7.438 5.263 14.096 527 HH21 ARG 70 2HH1 ARG 70 7.142 1.770 14.435 528 HH22 ARG 70 1HH1 ARG 70 6.893 3.300 15.208 529 H SER 71 H SER 71 10.312 0.749 8.237 530 HA SER 71 HA SER 71 12.439 2.646 8.115 531 HB2 SER 71 1HB SER 71 11.942 0.603 9.799 532 HB3 SER 71 2HB SER 71 12.922 -0.278 8.645 533 HG SER 71 HG SER 71 14.417 0.524 10.066 534 H GLY 72 H GLY 72 10.888 1.043 5.736 535 HA2 GLY 72 1HA GLY 72 11.744 1.086 3.533 536 HA3 GLY 72 2HA GLY 72 13.347 0.731 4.145 537 HA PRO 73 HA PRO 73 10.804 -3.161 3.315 538 HB2 PRO 73 1HB PRO 73 10.562 -3.399 0.604 539 HB3 PRO 73 2HB PRO 73 9.273 -2.805 1.633 540 HG2 PRO 73 1HG PRO 73 11.048 -1.285 -0.177 541 HG3 PRO 73 2HG PRO 73 9.515 -0.801 0.519 542 HD2 PRO 73 1HD PRO 73 12.124 0.041 1.362 543 HD3 PRO 73 2HD PRO 73 10.597 0.433 2.129 544 H SER 74 H SER 74 12.774 -3.881 4.260 545 HA SER 74 HA SER 74 14.260 -5.296 2.272 546 HB2 SER 74 1HB SER 74 15.506 -3.206 2.247 547 HB3 SER 74 2HB SER 74 15.553 -3.144 3.998 548 HG SER 74 HG SER 74 16.611 -5.522 2.984 549 H SER 75 H SER 75 14.986 -7.258 3.121 550 HA SER 75 HA SER 75 15.126 -7.439 6.011 551 HB2 SER 75 1HB SER 75 12.862 -8.282 4.849 552 HB3 SER 75 2HB SER 75 13.826 -9.706 4.507 553 HG SER 75 HG SER 75 14.272 -9.039 7.097 554 H GLY 76 H GLY 76 15.435 -9.342 2.918 555 HA2 GLY 76 1HA GLY 76 18.107 -9.666 2.794 556 HA3 GLY 76 2HA GLY 76 17.648 -10.865 3.986 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -1.736 -21.915 -14.012 2 HA2 GLY 1 1HA GLY 1 -2.189 -19.599 -15.571 3 HA3 GLY 1 2HA GLY 1 -3.450 -19.752 -14.363 4 H SER 2 H SER 2 -0.136 -18.889 -14.982 5 HA SER 2 HA SER 2 0.073 -17.978 -12.275 6 HB2 SER 2 1HB SER 2 1.591 -20.311 -13.299 7 HB3 SER 2 2HB SER 2 2.604 -19.079 -12.574 8 HG SER 2 HG SER 2 1.107 -20.928 -11.316 9 H SER 3 H SER 3 2.043 -18.606 -15.278 10 HA SER 3 HA SER 3 3.058 -17.241 -16.640 11 HB2 SER 3 1HB SER 3 1.022 -15.716 -16.249 12 HB3 SER 3 2HB SER 3 2.000 -14.847 -15.084 13 HG SER 3 HG SER 3 2.284 -13.751 -17.012 14 H GLY 4 H GLY 4 3.097 -15.410 -13.486 15 HA2 GLY 4 1HA GLY 4 5.356 -16.097 -12.319 16 HA3 GLY 4 2HA GLY 4 6.006 -15.200 -13.677 17 H SER 5 H SER 5 6.236 -14.481 -10.848 18 HA SER 5 HA SER 5 5.184 -11.827 -11.103 19 HB2 SER 5 1HB SER 5 3.375 -13.125 -9.922 20 HB3 SER 5 2HB SER 5 4.519 -13.516 -8.652 21 HG SER 5 HG SER 5 3.045 -11.226 -9.007 22 H SER 6 H SER 6 7.265 -10.943 -11.086 23 HA SER 6 HA SER 6 9.114 -11.904 -9.106 24 HB2 SER 6 1HB SER 6 10.724 -10.371 -10.245 25 HB3 SER 6 2HB SER 6 9.972 -11.499 -11.355 26 HG SER 6 HG SER 6 10.102 -9.002 -11.822 27 H GLY 7 H GLY 7 8.962 -11.069 -7.056 28 HA2 GLY 7 1HA GLY 7 9.035 -9.484 -5.436 29 HA3 GLY 7 2HA GLY 7 9.046 -8.228 -6.659 30 H SER 8 H SER 8 7.295 -9.343 -4.097 31 HA SER 8 HA SER 8 4.764 -8.639 -5.363 32 HB2 SER 8 1HB SER 8 5.343 -10.936 -3.983 33 HB3 SER 8 2HB SER 8 4.745 -9.936 -2.675 34 HG SER 8 HG SER 8 2.861 -10.730 -3.419 35 H HIS 9 H HIS 9 6.315 -8.599 -2.062 36 HA HIS 9 HA HIS 9 6.420 -7.056 -0.508 37 HB2 HIS 9 1HB HIS 9 6.065 -5.212 -2.876 38 HB3 HIS 9 2HB HIS 9 6.289 -4.610 -1.245 39 HD1 HIS 9 1HD HIS 9 8.418 -3.830 -3.204 40 HD2 HIS 9 2HD HIS 9 8.595 -7.412 -1.030 41 HE1 HIS 9 1HE HIS 9 10.874 -4.523 -3.167 42 H GLN 10 H GLN 10 5.000 -6.426 1.090 43 HA GLN 10 HA GLN 10 2.359 -5.612 0.246 44 HB2 GLN 10 1HB GLN 10 2.686 -8.231 0.841 45 HB3 GLN 10 2HB GLN 10 2.463 -7.626 2.470 46 HG2 GLN 10 1HG GLN 10 0.246 -7.124 2.128 47 HG3 GLN 10 2HG GLN 10 0.526 -6.513 0.509 48 HE21 GLN 10 1HE2 GLN 10 -0.542 -7.592 -0.947 49 HE22 GLN 10 2HE2 GLN 10 -0.815 -9.301 -1.008 50 H LEU 11 H LEU 11 1.930 -3.728 1.304 51 HA LEU 11 HA LEU 11 3.153 -3.402 3.954 52 HB2 LEU 11 1HB LEU 11 3.609 -1.902 1.732 53 HB3 LEU 11 2HB LEU 11 2.289 -1.010 2.461 54 HG LEU 11 HG LEU 11 4.944 -1.677 3.760 55 HD11 LEU 11 1HD1 LEU 11 5.437 0.061 2.334 56 HD12 LEU 11 2HD1 LEU 11 3.812 0.777 2.463 57 HD13 LEU 11 3HD1 LEU 11 4.965 0.940 3.809 58 HD21 LEU 11 1HD2 LEU 11 2.413 -1.090 4.975 59 HD22 LEU 11 2HD2 LEU 11 3.992 -1.395 5.740 60 HD23 LEU 11 3HD2 LEU 11 3.537 0.259 5.266 61 H ILE 12 H ILE 12 1.774 -3.372 5.643 62 HA ILE 12 HA ILE 12 -1.059 -3.175 5.038 63 HB ILE 12 HB ILE 12 0.517 -4.040 7.455 64 HG12 ILE 12 1HG1 ILE 12 -1.297 -6.014 6.662 65 HG13 ILE 12 2HG1 ILE 12 -0.675 -5.374 5.155 66 HG21 ILE 12 1HG2 ILE 12 -2.495 -3.814 7.204 67 HG22 ILE 12 2HG2 ILE 12 -1.601 -4.543 8.560 68 HG23 ILE 12 3HG2 ILE 12 -1.448 -2.802 8.228 69 HD11 ILE 12 1HD1 ILE 12 0.742 -7.230 5.997 70 HD12 ILE 12 2HD1 ILE 12 1.655 -5.702 5.945 71 HD13 ILE 12 3HD1 ILE 12 1.040 -6.319 7.498 72 H VAL 13 H VAL 13 -1.952 -1.186 4.970 73 HA VAL 13 HA VAL 13 -1.192 0.665 7.103 74 HB VAL 13 HB VAL 13 -1.137 2.508 5.510 75 HG11 VAL 13 1HG1 VAL 13 0.809 0.632 4.268 76 HG12 VAL 13 2HG1 VAL 13 1.064 2.228 5.013 77 HG13 VAL 13 3HG1 VAL 13 0.871 0.787 6.040 78 HG21 VAL 13 1HG2 VAL 13 -1.862 2.370 3.400 79 HG22 VAL 13 2HG2 VAL 13 -0.818 0.969 3.064 80 HG23 VAL 13 3HG2 VAL 13 -2.431 0.726 3.777 81 H LYS 14 H LYS 14 -2.915 1.845 7.942 82 HA LYS 14 HA LYS 14 -5.522 1.029 6.900 83 HB2 LYS 14 1HB LYS 14 -4.832 0.615 9.320 84 HB3 LYS 14 2HB LYS 14 -4.924 2.348 9.557 85 HG2 LYS 14 1HG LYS 14 -7.097 1.736 10.143 86 HG3 LYS 14 2HG LYS 14 -7.325 2.096 8.443 87 HD2 LYS 14 1HD LYS 14 -8.326 0.002 8.512 88 HD3 LYS 14 2HD LYS 14 -6.686 -0.488 8.138 89 HE2 LYS 14 1HE LYS 14 -8.076 -0.535 10.846 90 HE3 LYS 14 2HE LYS 14 -7.396 -1.888 9.963 91 HZ1 LYS 14 1HZ LYS 14 -5.230 -1.038 10.338 92 HZ2 LYS 14 2HZ LYS 14 -5.792 0.349 10.990 93 HZ3 LYS 14 3HZ LYS 14 -5.995 -1.065 11.780 94 H ALA 15 H ALA 15 -7.089 2.530 6.259 95 HA ALA 15 HA ALA 15 -6.162 4.861 5.081 96 HB1 ALA 15 1HB ALA 15 -8.766 5.370 5.213 97 HB2 ALA 15 2HB ALA 15 -8.143 4.059 4.184 98 HB3 ALA 15 3HB ALA 15 -8.840 3.684 5.778 99 H ARG 16 H ARG 16 -7.437 7.085 5.661 100 HA ARG 16 HA ARG 16 -6.810 7.502 8.471 101 HB2 ARG 16 1HB ARG 16 -5.332 8.802 7.024 102 HB3 ARG 16 2HB ARG 16 -6.680 9.387 6.071 103 HG2 ARG 16 1HG ARG 16 -7.581 10.498 8.199 104 HG3 ARG 16 2HG ARG 16 -6.075 10.066 8.984 105 HD2 ARG 16 1HD ARG 16 -5.280 11.274 6.546 106 HD3 ARG 16 2HD ARG 16 -6.621 12.254 7.105 107 HE ARG 16 HE ARG 16 -4.936 11.760 9.346 108 HH11 ARG 16 2HH2 ARG 16 -4.830 13.476 6.276 109 HH12 ARG 16 1HH2 ARG 16 -3.699 14.663 6.832 110 HH21 ARG 16 2HH1 ARG 16 -3.443 13.326 10.082 111 HH22 ARG 16 1HH1 ARG 16 -2.904 14.577 9.012 112 H PHE 17 H PHE 17 -8.933 8.663 5.751 113 HA PHE 17 HA PHE 17 -11.154 8.738 7.613 114 HB2 PHE 17 1HB PHE 17 -11.581 11.078 7.210 115 HB3 PHE 17 2HB PHE 17 -9.844 11.018 7.432 116 HD1 PHE 17 2HD PHE 17 -8.348 11.106 5.431 117 HD2 PHE 17 1HD PHE 17 -12.532 11.742 5.135 118 HE1 PHE 17 2HE PHE 17 -8.025 12.184 3.187 119 HE2 PHE 17 1HE PHE 17 -12.211 12.820 2.892 120 HZ PHE 17 HZ PHE 17 -9.960 13.028 1.945 121 H ASN 18 H ASN 18 -13.227 9.506 6.256 122 HA ASN 18 HA ASN 18 -13.622 7.587 4.355 123 HB2 ASN 18 1HB ASN 18 -15.072 10.281 4.483 124 HB3 ASN 18 2HB ASN 18 -15.717 8.782 3.845 125 HD21 ASN 18 1HD2 ASN 18 -17.042 7.753 5.113 126 HD22 ASN 18 2HD2 ASN 18 -17.056 7.746 6.845 127 H PHE 19 H PHE 19 -12.087 7.574 2.624 128 HA PHE 19 HA PHE 19 -11.672 10.068 1.186 129 HB2 PHE 19 1HB PHE 19 -9.719 8.661 1.820 130 HB3 PHE 19 2HB PHE 19 -10.474 7.238 1.132 131 HD1 PHE 19 1HD PHE 19 -8.865 10.451 0.314 132 HD2 PHE 19 2HD PHE 19 -10.316 6.763 -1.199 133 HE1 PHE 19 1HE PHE 19 -7.710 10.893 -1.870 134 HE2 PHE 19 2HE PHE 19 -9.162 7.204 -3.384 135 HZ PHE 19 HZ PHE 19 -7.871 9.265 -3.693 136 H LYS 20 H LYS 20 -11.854 10.142 -1.182 137 HA LYS 20 HA LYS 20 -13.815 8.188 -2.168 138 HB2 LYS 20 1HB LYS 20 -14.858 10.364 -1.775 139 HB3 LYS 20 2HB LYS 20 -13.641 11.158 -2.755 140 HG2 LYS 20 1HG LYS 20 -14.715 8.993 -4.320 141 HG3 LYS 20 2HG LYS 20 -16.073 9.848 -3.618 142 HD2 LYS 20 1HD LYS 20 -15.476 11.912 -4.644 143 HD3 LYS 20 2HD LYS 20 -13.819 11.411 -4.912 144 HE2 LYS 20 1HE LYS 20 -15.280 9.487 -6.329 145 HE3 LYS 20 2HE LYS 20 -16.214 10.948 -6.586 146 HZ1 LYS 20 1HZ LYS 20 -14.602 11.810 -7.823 147 HZ2 LYS 20 2HZ LYS 20 -13.395 11.324 -6.837 148 HZ3 LYS 20 3HZ LYS 20 -14.015 10.291 -7.940 149 H GLN 21 H GLN 21 -13.321 7.130 -4.046 150 HA GLN 21 HA GLN 21 -10.682 7.555 -5.035 151 HB2 GLN 21 1HB GLN 21 -10.931 5.481 -6.121 152 HB3 GLN 21 2HB GLN 21 -11.929 5.295 -4.693 153 HG2 GLN 21 1HG GLN 21 -13.903 6.140 -6.168 154 HG3 GLN 21 2HG GLN 21 -12.843 5.876 -7.538 155 HE21 GLN 21 1HE2 GLN 21 -11.482 3.657 -6.990 156 HE22 GLN 21 2HE2 GLN 21 -12.512 2.277 -6.806 157 H THR 22 H THR 22 -10.076 8.309 -7.112 158 HA THR 22 HA THR 22 -11.932 10.122 -8.306 159 HB THR 22 HB THR 22 -9.475 10.551 -8.079 160 HG1 THR 22 1HG THR 22 -10.911 11.319 -9.921 161 HG21 THR 22 1HG2 THR 22 -8.490 8.348 -8.483 162 HG22 THR 22 2HG2 THR 22 -9.318 8.217 -10.053 163 HG23 THR 22 3HG2 THR 22 -8.007 9.401 -9.834 164 H ASN 23 H ASN 23 -11.288 6.743 -8.656 165 HA ASN 23 HA ASN 23 -13.224 6.629 -10.711 166 HB2 ASN 23 1HB ASN 23 -10.320 5.888 -11.328 167 HB3 ASN 23 2HB ASN 23 -11.664 5.309 -12.291 168 HD21 ASN 23 1HD2 ASN 23 -12.900 6.737 -13.512 169 HD22 ASN 23 2HD2 ASN 23 -12.348 8.319 -13.952 170 H GLU 24 H GLU 24 -13.871 4.313 -11.080 171 HA GLU 24 HA GLU 24 -13.761 2.820 -8.776 172 HB2 GLU 24 1HB GLU 24 -14.764 1.002 -10.167 173 HB3 GLU 24 2HB GLU 24 -15.547 2.549 -10.415 174 HG2 GLU 24 1HG GLU 24 -13.943 2.877 -12.423 175 HG3 GLU 24 2HG GLU 24 -13.528 1.184 -12.243 176 H ASP 25 H ASP 25 -11.376 3.263 -11.226 177 HA ASP 25 HA ASP 25 -10.216 0.693 -11.019 178 HB2 ASP 25 1HB ASP 25 -9.922 2.991 -12.654 179 HB3 ASP 25 2HB ASP 25 -8.380 2.833 -11.837 180 H GLU 26 H GLU 26 -9.895 3.904 -9.467 181 HA GLU 26 HA GLU 26 -7.451 3.260 -8.182 182 HB2 GLU 26 1HB GLU 26 -8.798 5.602 -8.751 183 HB3 GLU 26 2HB GLU 26 -9.121 5.437 -7.036 184 HG2 GLU 26 1HG GLU 26 -7.046 6.243 -6.613 185 HG3 GLU 26 2HG GLU 26 -6.374 4.787 -7.320 186 H LEU 27 H LEU 27 -7.392 3.600 -5.623 187 HA LEU 27 HA LEU 27 -9.083 1.535 -4.574 188 HB2 LEU 27 1HB LEU 27 -6.537 2.591 -4.033 189 HB3 LEU 27 2HB LEU 27 -7.501 2.941 -2.612 190 HG LEU 27 HG LEU 27 -6.233 0.797 -2.509 191 HD11 LEU 27 1HD1 LEU 27 -7.825 0.636 -0.928 192 HD12 LEU 27 2HD1 LEU 27 -9.132 1.112 -2.039 193 HD13 LEU 27 3HD1 LEU 27 -8.532 -0.564 -2.037 194 HD21 LEU 27 1HD2 LEU 27 -7.526 0.373 -5.059 195 HD22 LEU 27 2HD2 LEU 27 -6.203 -0.532 -4.287 196 HD23 LEU 27 3HD2 LEU 27 -7.895 -0.955 -3.934 197 H SER 28 H SER 28 -10.796 1.735 -3.140 198 HA SER 28 HA SER 28 -11.570 4.496 -2.601 199 HB2 SER 28 1HB SER 28 -13.962 3.544 -2.589 200 HB3 SER 28 2HB SER 28 -13.178 3.684 -4.151 201 HG SER 28 HG SER 28 -13.098 1.527 -4.363 202 H VAL 29 H VAL 29 -10.640 4.587 -0.499 203 HA VAL 29 HA VAL 29 -11.602 2.554 1.384 204 HB VAL 29 HB VAL 29 -9.744 3.392 2.811 205 HG11 VAL 29 1HG1 VAL 29 -9.179 1.418 1.748 206 HG12 VAL 29 2HG1 VAL 29 -9.289 2.132 0.122 207 HG13 VAL 29 3HG1 VAL 29 -7.895 2.503 1.164 208 HG21 VAL 29 1HG2 VAL 29 -7.989 4.784 1.829 209 HG22 VAL 29 2HG2 VAL 29 -8.928 4.935 0.326 210 HG23 VAL 29 3HG2 VAL 29 -9.545 5.648 1.834 211 H CYS 30 H CYS 30 -12.641 3.187 3.323 212 HA CYS 30 HA CYS 30 -13.591 5.956 3.236 213 HB2 CYS 30 1HB CYS 30 -14.934 3.405 4.138 214 HB3 CYS 30 2HB CYS 30 -15.491 4.969 4.698 215 HG CYS 30 HG CYS 30 -15.464 3.571 1.751 216 H LYS 31 H LYS 31 -13.613 3.396 5.803 217 HA LYS 31 HA LYS 31 -11.573 4.780 7.291 218 HB2 LYS 31 1HB LYS 31 -14.205 5.604 7.676 219 HB3 LYS 31 2HB LYS 31 -13.933 4.473 8.986 220 HG2 LYS 31 1HG LYS 31 -12.341 5.807 9.999 221 HG3 LYS 31 2HG LYS 31 -11.678 6.361 8.475 222 HD2 LYS 31 1HD LYS 31 -13.166 8.137 8.302 223 HD3 LYS 31 2HD LYS 31 -14.464 7.276 9.105 224 HE2 LYS 31 1HE LYS 31 -12.270 7.649 10.979 225 HE3 LYS 31 2HE LYS 31 -12.664 9.191 10.245 226 HZ1 LYS 31 1HZ LYS 31 -14.286 9.204 11.737 227 HZ2 LYS 31 2HZ LYS 31 -15.075 8.160 10.760 228 HZ3 LYS 31 3HZ LYS 31 -14.214 7.598 12.029 229 H GLY 32 H GLY 32 -10.470 3.375 8.631 230 HA2 GLY 32 1HA GLY 32 -9.813 1.402 9.481 231 HA3 GLY 32 2HA GLY 32 -11.503 1.083 9.816 232 H ASP 33 H ASP 33 -9.312 1.252 6.910 233 HA ASP 33 HA ASP 33 -10.338 -1.365 6.193 234 HB2 ASP 33 1HB ASP 33 -9.962 0.924 4.207 235 HB3 ASP 33 2HB ASP 33 -10.552 -0.682 3.832 236 H ILE 34 H ILE 34 -8.263 -2.268 6.803 237 HA ILE 34 HA ILE 34 -5.807 -1.144 6.197 238 HB ILE 34 HB ILE 34 -6.862 -3.680 7.166 239 HG12 ILE 34 1HG1 ILE 34 -5.917 -2.198 8.732 240 HG13 ILE 34 2HG1 ILE 34 -4.756 -3.499 8.564 241 HG21 ILE 34 1HG2 ILE 34 -4.242 -3.728 5.643 242 HG22 ILE 34 2HG2 ILE 34 -4.880 -5.028 6.679 243 HG23 ILE 34 3HG2 ILE 34 -5.740 -4.574 5.188 244 HD11 ILE 34 1HD1 ILE 34 -4.501 -0.639 7.836 245 HD12 ILE 34 2HD1 ILE 34 -3.237 -1.830 8.228 246 HD13 ILE 34 3HD1 ILE 34 -3.911 -1.757 6.583 247 H ILE 35 H ILE 35 -4.578 -0.984 4.379 248 HA ILE 35 HA ILE 35 -5.543 -2.490 2.047 249 HB ILE 35 HB ILE 35 -4.289 0.256 2.049 250 HG12 ILE 35 1HG1 ILE 35 -7.023 0.246 1.173 251 HG13 ILE 35 2HG1 ILE 35 -6.944 -0.484 2.764 252 HG21 ILE 35 1HG2 ILE 35 -5.819 -0.992 -0.217 253 HG22 ILE 35 2HG2 ILE 35 -4.614 0.317 -0.243 254 HG23 ILE 35 3HG2 ILE 35 -4.094 -1.364 0.026 255 HD11 ILE 35 1HD1 ILE 35 -5.570 1.485 3.555 256 HD12 ILE 35 2HD1 ILE 35 -5.818 2.237 1.961 257 HD13 ILE 35 3HD1 ILE 35 -7.211 1.927 3.026 258 H TYR 36 H TYR 36 -4.007 -3.543 0.777 259 HA TYR 36 HA TYR 36 -1.375 -3.732 2.036 260 HB2 TYR 36 1HB TYR 36 -2.925 -5.337 -0.093 261 HB3 TYR 36 2HB TYR 36 -1.337 -5.797 0.492 262 HD1 TYR 36 1HD TYR 36 -1.400 -5.603 3.336 263 HD2 TYR 36 2HD TYR 36 -4.559 -6.771 0.699 264 HE1 TYR 36 1HE TYR 36 -2.483 -6.935 5.211 265 HE2 TYR 36 2HE TYR 36 -5.632 -8.099 2.583 266 HH TYR 36 HH TYR 36 -4.352 -9.223 4.946 267 H VAL 37 H VAL 37 0.160 -2.391 1.220 268 HA VAL 37 HA VAL 37 -0.099 -1.403 -1.466 269 HB VAL 37 HB VAL 37 2.170 -1.026 0.488 270 HG11 VAL 37 1HG1 VAL 37 1.163 0.918 -1.598 271 HG12 VAL 37 2HG1 VAL 37 2.725 0.905 -0.744 272 HG13 VAL 37 3HG1 VAL 37 2.373 -0.332 -1.975 273 HG21 VAL 37 1HG2 VAL 37 0.263 1.163 0.419 274 HG22 VAL 37 2HG2 VAL 37 -0.515 -0.349 0.943 275 HG23 VAL 37 3HG2 VAL 37 0.913 0.265 1.811 276 H THR 38 H THR 38 0.686 -2.388 -3.251 277 HA THR 38 HA THR 38 2.725 -4.469 -2.828 278 HB THR 38 HB THR 38 0.738 -5.436 -3.767 279 HG1 THR 38 1HG THR 38 1.524 -5.581 -6.131 280 HG21 THR 38 1HG2 THR 38 -0.315 -4.459 -5.852 281 HG22 THR 38 2HG2 THR 38 -0.503 -3.402 -4.431 282 HG23 THR 38 3HG2 THR 38 0.727 -3.029 -5.663 283 H ARG 39 H ARG 39 1.802 -1.641 -4.859 284 HA ARG 39 HA ARG 39 4.163 -1.822 -6.371 285 HB2 ARG 39 1HB ARG 39 2.102 -0.701 -7.209 286 HB3 ARG 39 2HB ARG 39 2.223 0.507 -5.946 287 HG2 ARG 39 1HG ARG 39 3.685 1.737 -7.168 288 HG3 ARG 39 2HG ARG 39 4.757 0.365 -7.361 289 HD2 ARG 39 1HD ARG 39 2.241 0.417 -9.027 290 HD3 ARG 39 2HD ARG 39 3.535 1.513 -9.471 291 HE ARG 39 HE ARG 39 4.522 -1.187 -9.002 292 HH11 ARG 39 2HH2 ARG 39 2.960 0.887 -11.379 293 HH12 ARG 39 1HH2 ARG 39 3.511 -0.039 -12.736 294 HH21 ARG 39 2HH1 ARG 39 5.249 -2.407 -10.792 295 HH22 ARG 39 1HH1 ARG 39 4.822 -1.924 -12.400 296 H VAL 40 H VAL 40 3.057 0.919 -4.240 297 HA VAL 40 HA VAL 40 4.124 2.056 -2.652 298 HB VAL 40 HB VAL 40 6.494 0.222 -3.021 299 HG11 VAL 40 1HG1 VAL 40 7.440 1.373 -1.363 300 HG12 VAL 40 2HG1 VAL 40 6.079 2.518 -1.419 301 HG13 VAL 40 3HG1 VAL 40 6.017 1.116 -0.325 302 HG21 VAL 40 1HG2 VAL 40 4.374 -0.189 -0.920 303 HG22 VAL 40 2HG2 VAL 40 4.187 -0.887 -2.547 304 HG23 VAL 40 3HG2 VAL 40 5.588 -1.334 -1.542 305 H GLU 41 H GLU 41 3.942 3.690 -4.392 306 HA GLU 41 HA GLU 41 6.491 4.162 -5.705 307 HB2 GLU 41 1HB GLU 41 3.651 5.050 -6.301 308 HB3 GLU 41 2HB GLU 41 5.019 5.868 -7.030 309 HG2 GLU 41 1HG GLU 41 5.250 2.931 -7.218 310 HG3 GLU 41 2HG GLU 41 3.790 3.529 -7.981 311 H GLU 42 H GLU 42 7.444 6.323 -5.666 312 HA GLU 42 HA GLU 42 6.701 7.701 -3.222 313 HB2 GLU 42 1HB GLU 42 8.954 8.668 -3.286 314 HB3 GLU 42 2HB GLU 42 9.053 6.926 -3.438 315 HG2 GLU 42 1HG GLU 42 9.368 7.084 -5.863 316 HG3 GLU 42 2HG GLU 42 9.047 8.807 -5.841 317 H GLY 43 H GLY 43 6.022 7.824 -6.485 318 HA2 GLY 43 1HA GLY 43 6.455 10.460 -7.261 319 HA3 GLY 43 2HA GLY 43 5.187 9.402 -7.848 320 H GLY 44 H GLY 44 3.677 8.945 -5.487 321 HA2 GLY 44 1HA GLY 44 3.048 10.952 -3.805 322 HA3 GLY 44 2HA GLY 44 2.293 11.478 -5.297 323 H TRP 45 H TRP 45 1.824 8.671 -6.278 324 HA TRP 45 HA TRP 45 -0.508 8.143 -4.590 325 HB2 TRP 45 1HB TRP 45 0.118 7.376 -7.445 326 HB3 TRP 45 2HB TRP 45 -1.306 6.856 -6.566 327 HD1 TRP 45 HD TRP 45 0.304 10.234 -7.691 328 HE1 TRP 45 1HE TRP 45 -1.566 12.028 -8.192 329 HE3 TRP 45 3HE TRP 45 -3.610 7.322 -6.258 330 HZ2 TRP 45 2HZ TRP 45 -4.409 12.028 -7.937 331 HZ3 TRP 45 3HZ TRP 45 -5.899 8.295 -6.415 332 HH2 TRP 45 HH TRP 45 -6.332 10.562 -7.220 333 H TRP 46 H TRP 46 -1.024 5.810 -4.171 334 HA TRP 46 HA TRP 46 1.365 4.110 -4.250 335 HB2 TRP 46 1HB TRP 46 0.076 5.218 -1.899 336 HB3 TRP 46 2HB TRP 46 0.024 3.466 -1.882 337 HD1 TRP 46 HD TRP 46 3.077 5.149 -3.491 338 HE1 TRP 46 1HE TRP 46 5.259 4.760 -2.061 339 HE3 TRP 46 3HE TRP 46 0.718 3.079 0.510 340 HZ2 TRP 46 2HZ TRP 46 5.744 3.654 0.525 341 HZ3 TRP 46 3HZ TRP 46 2.120 2.372 2.445 342 HH2 TRP 46 HH TRP 46 4.550 2.631 2.496 343 H GLU 47 H GLU 47 0.893 2.073 -5.021 344 HA GLU 47 HA GLU 47 -1.936 1.542 -5.433 345 HB2 GLU 47 1HB GLU 47 -0.944 1.411 -7.538 346 HB3 GLU 47 2HB GLU 47 0.580 0.815 -6.911 347 HG2 GLU 47 1HG GLU 47 -0.412 -1.399 -6.468 348 HG3 GLU 47 2HG GLU 47 -2.000 -0.820 -6.930 349 H GLY 48 H GLY 48 -2.901 0.103 -4.071 350 HA2 GLY 48 1HA GLY 48 -1.267 -2.132 -3.054 351 HA3 GLY 48 2HA GLY 48 -2.196 -1.134 -1.953 352 H THR 49 H THR 49 -3.453 -3.031 -1.334 353 HA THR 49 HA THR 49 -5.661 -3.473 -3.187 354 HB THR 49 HB THR 49 -3.605 -5.494 -2.311 355 HG1 THR 49 1HG THR 49 -3.782 -4.887 -4.528 356 HG21 THR 49 1HG2 THR 49 -6.606 -5.935 -2.369 357 HG22 THR 49 2HG2 THR 49 -5.532 -7.201 -3.013 358 HG23 THR 49 3HG2 THR 49 -5.386 -6.689 -1.314 359 H LEU 50 H LEU 50 -7.599 -3.454 -2.197 360 HA LEU 50 HA LEU 50 -7.506 -3.463 0.734 361 HB2 LEU 50 1HB LEU 50 -8.224 -1.366 -0.183 362 HB3 LEU 50 2HB LEU 50 -9.399 -2.154 -1.217 363 HG LEU 50 HG LEU 50 -10.654 -2.888 0.800 364 HD11 LEU 50 1HD1 LEU 50 -9.096 -0.985 2.499 365 HD12 LEU 50 2HD1 LEU 50 -10.069 -2.403 2.958 366 HD13 LEU 50 3HD1 LEU 50 -8.457 -2.624 2.235 367 HD21 LEU 50 1HD2 LEU 50 -10.799 -0.130 1.444 368 HD22 LEU 50 2HD2 LEU 50 -10.434 -0.252 -0.294 369 HD23 LEU 50 3HD2 LEU 50 -11.861 -1.079 0.375 370 H ASN 51 H ASN 51 -9.660 -4.289 1.740 371 HA ASN 51 HA ASN 51 -9.862 -6.912 1.372 372 HB2 ASN 51 1HB ASN 51 -12.348 -6.574 2.207 373 HB3 ASN 51 2HB ASN 51 -11.034 -6.058 3.245 374 HD21 ASN 51 1HD2 ASN 51 -11.572 -4.271 4.230 375 HD22 ASN 51 2HD2 ASN 51 -12.306 -2.866 3.533 376 H GLY 52 H GLY 52 -9.906 -7.608 -0.854 377 HA2 GLY 52 1HA GLY 52 -10.898 -8.270 -2.762 378 HA3 GLY 52 2HA GLY 52 -12.446 -7.818 -2.074 379 H ARG 53 H ARG 53 -9.695 -5.547 -2.415 380 HA ARG 53 HA ARG 53 -11.064 -4.358 -4.674 381 HB2 ARG 53 1HB ARG 53 -10.869 -3.232 -1.990 382 HB3 ARG 53 2HB ARG 53 -10.001 -2.204 -3.112 383 HG2 ARG 53 1HG ARG 53 -12.647 -3.161 -4.101 384 HG3 ARG 53 2HG ARG 53 -12.729 -2.114 -2.700 385 HD2 ARG 53 1HD ARG 53 -11.625 -0.308 -3.834 386 HD3 ARG 53 2HD ARG 53 -11.022 -1.357 -5.101 387 HE ARG 53 HE ARG 53 -13.741 -0.236 -4.894 388 HH11 ARG 53 2HH2 ARG 53 -11.666 -2.619 -6.442 389 HH12 ARG 53 1HH2 ARG 53 -12.708 -2.825 -7.810 390 HH21 ARG 53 2HH1 ARG 53 -15.116 -0.507 -6.697 391 HH22 ARG 53 1HH1 ARG 53 -14.683 -1.614 -7.956 392 H THR 54 H THR 54 -9.566 -2.560 -5.694 393 HA THR 54 HA THR 54 -6.772 -2.768 -5.106 394 HB THR 54 HB THR 54 -7.982 -4.148 -7.551 395 HG1 THR 54 1HG THR 54 -6.169 -4.758 -5.326 396 HG21 THR 54 1HG2 THR 54 -5.099 -3.324 -6.943 397 HG22 THR 54 2HG2 THR 54 -5.516 -4.624 -8.085 398 HG23 THR 54 3HG2 THR 54 -6.036 -2.953 -8.410 399 H GLY 55 H GLY 55 -5.502 -1.202 -6.237 400 HA2 GLY 55 1HA GLY 55 -5.936 0.385 -8.272 401 HA3 GLY 55 2HA GLY 55 -7.160 1.016 -7.189 402 H TRP 56 H TRP 56 -5.652 3.000 -7.574 403 HA TRP 56 HA TRP 56 -3.321 2.888 -5.809 404 HB2 TRP 56 1HB TRP 56 -4.185 4.908 -7.884 405 HB3 TRP 56 2HB TRP 56 -2.788 5.094 -6.843 406 HD1 TRP 56 HD TRP 56 -4.027 2.372 -9.379 407 HE1 TRP 56 1HE TRP 56 -1.991 1.408 -10.755 408 HE3 TRP 56 3HE TRP 56 -0.453 5.110 -7.014 409 HZ2 TRP 56 2HZ TRP 56 0.822 1.888 -10.700 410 HZ3 TRP 56 3HZ TRP 56 1.912 4.803 -7.736 411 HH2 TRP 56 HH TRP 56 2.573 3.258 -9.511 412 H PHE 57 H PHE 57 -3.035 4.874 -4.356 413 HA PHE 57 HA PHE 57 -5.301 6.433 -3.725 414 HB2 PHE 57 1HB PHE 57 -5.761 5.380 -1.514 415 HB3 PHE 57 2HB PHE 57 -5.954 4.173 -2.771 416 HD1 PHE 57 1HD PHE 57 -3.630 5.398 -0.165 417 HD2 PHE 57 2HD PHE 57 -4.625 2.220 -2.794 418 HE1 PHE 57 1HE PHE 57 -1.983 3.910 1.010 419 HE2 PHE 57 2HE PHE 57 -2.979 0.733 -1.620 420 HZ PHE 57 HZ PHE 57 -1.678 1.595 0.268 421 HA PRO 58 HA PRO 58 -2.185 8.653 -1.697 422 HB2 PRO 58 1HB PRO 58 -3.554 10.103 0.171 423 HB3 PRO 58 2HB PRO 58 -3.496 10.539 -1.526 424 HG2 PRO 58 1HG PRO 58 -5.714 9.317 -0.001 425 HG3 PRO 58 2HG PRO 58 -5.768 10.136 -1.549 426 HD2 PRO 58 1HD PRO 58 -5.877 7.305 -1.102 427 HD3 PRO 58 2HD PRO 58 -5.814 8.120 -2.652 428 H SER 59 H SER 59 -0.575 7.651 -0.671 429 HA SER 59 HA SER 59 -1.296 6.101 1.608 430 HB2 SER 59 1HB SER 59 1.264 5.726 1.670 431 HB3 SER 59 2HB SER 59 0.395 5.117 0.276 432 HG SER 59 HG SER 59 2.335 7.120 0.432 433 H ASN 60 H ASN 60 0.233 9.244 0.869 434 HA ASN 60 HA ASN 60 1.501 9.771 3.191 435 HB2 ASN 60 1HB ASN 60 0.243 11.342 1.020 436 HB3 ASN 60 2HB ASN 60 0.238 12.211 2.542 437 HD21 ASN 60 1HD2 ASN 60 2.240 10.512 0.200 438 HD22 ASN 60 2HD2 ASN 60 3.745 11.284 0.568 439 H TYR 61 H TYR 61 -2.003 10.044 2.352 440 HA TYR 61 HA TYR 61 -2.784 11.280 4.769 441 HB2 TYR 61 1HB TYR 61 -4.063 9.624 2.524 442 HB3 TYR 61 2HB TYR 61 -5.044 10.183 3.864 443 HD1 TYR 61 1HD TYR 61 -2.660 11.493 1.281 444 HD2 TYR 61 2HD TYR 61 -6.096 12.259 3.712 445 HE1 TYR 61 1HE TYR 61 -3.004 13.721 0.105 446 HE2 TYR 61 2HE TYR 61 -6.429 14.485 2.529 447 HH TYR 61 HH TYR 61 -4.024 15.762 0.385 448 H VAL 62 H VAL 62 -3.299 7.881 3.570 449 HA VAL 62 HA VAL 62 -4.262 6.916 5.985 450 HB VAL 62 HB VAL 62 -4.093 4.808 5.016 451 HG11 VAL 62 1HG1 VAL 62 -5.419 5.241 3.271 452 HG12 VAL 62 2HG1 VAL 62 -5.015 6.962 3.484 453 HG13 VAL 62 3HG1 VAL 62 -4.079 5.962 2.346 454 HG21 VAL 62 1HG2 VAL 62 -2.042 4.151 4.385 455 HG22 VAL 62 2HG2 VAL 62 -2.443 4.846 2.795 456 HG23 VAL 62 3HG2 VAL 62 -1.536 5.811 3.984 457 H ARG 63 H ARG 63 -3.176 5.344 7.483 458 HA ARG 63 HA ARG 63 -0.444 6.251 7.908 459 HB2 ARG 63 1HB ARG 63 -2.578 5.266 9.858 460 HB3 ARG 63 2HB ARG 63 -0.899 5.449 10.328 461 HG2 ARG 63 1HG ARG 63 -1.276 7.648 10.716 462 HG3 ARG 63 2HG ARG 63 -1.580 7.877 9.005 463 HD2 ARG 63 1HD ARG 63 -3.960 7.469 9.279 464 HD3 ARG 63 2HD ARG 63 -3.741 6.885 10.916 465 HE ARG 63 HE ARG 63 -3.961 9.651 10.104 466 HH11 ARG 63 2HH2 ARG 63 -2.367 7.563 12.445 467 HH12 ARG 63 1HH2 ARG 63 -2.190 8.814 13.630 468 HH21 ARG 63 2HH1 ARG 63 -3.728 11.301 11.667 469 HH22 ARG 63 1HH1 ARG 63 -2.970 10.954 13.185 470 H GLU 64 H GLU 64 1.129 4.616 8.719 471 HA GLU 64 HA GLU 64 0.541 2.054 7.545 472 HB2 GLU 64 1HB GLU 64 2.664 3.019 6.925 473 HB3 GLU 64 2HB GLU 64 3.086 3.346 8.594 474 HG2 GLU 64 1HG GLU 64 3.067 0.851 9.041 475 HG3 GLU 64 2HG GLU 64 2.767 0.580 7.336 476 H ILE 65 H ILE 65 0.864 0.015 8.703 477 HA ILE 65 HA ILE 65 0.489 0.360 11.595 478 HB ILE 65 HB ILE 65 -0.462 -1.874 9.798 479 HG12 ILE 65 1HG1 ILE 65 -1.581 0.352 9.437 480 HG13 ILE 65 2HG1 ILE 65 -2.642 -0.958 9.916 481 HG21 ILE 65 1HG2 ILE 65 -0.734 -3.058 11.652 482 HG22 ILE 65 2HG2 ILE 65 -0.113 -1.716 12.641 483 HG23 ILE 65 3HG2 ILE 65 -1.849 -1.811 12.262 484 HD11 ILE 65 1HD1 ILE 65 -2.940 -0.113 12.097 485 HD12 ILE 65 2HD1 ILE 65 -1.430 0.830 12.041 486 HD13 ILE 65 3HD1 ILE 65 -2.854 1.374 11.120 487 H LYS 66 H LYS 66 2.188 -1.397 8.974 488 HA LYS 66 HA LYS 66 3.741 -2.851 10.950 489 HB2 LYS 66 1HB LYS 66 3.069 -4.220 9.167 490 HB3 LYS 66 2HB LYS 66 3.425 -3.002 7.958 491 HG2 LYS 66 1HG LYS 66 5.579 -3.699 7.770 492 HG3 LYS 66 2HG LYS 66 5.831 -3.595 9.501 493 HD2 LYS 66 1HD LYS 66 4.241 -5.913 8.367 494 HD3 LYS 66 2HD LYS 66 5.990 -5.942 8.269 495 HE2 LYS 66 1HE LYS 66 6.219 -6.378 10.500 496 HE3 LYS 66 2HE LYS 66 5.063 -5.141 10.950 497 HZ1 LYS 66 1HZ LYS 66 3.306 -6.693 10.293 498 HZ2 LYS 66 2HZ LYS 66 4.423 -7.851 10.014 499 HZ3 LYS 66 3HZ LYS 66 4.215 -7.265 11.523 500 H SER 67 H SER 67 5.229 -1.583 11.970 501 HA SER 67 HA SER 67 6.425 0.592 10.655 502 HB2 SER 67 1HB SER 67 7.591 0.960 12.705 503 HB3 SER 67 2HB SER 67 6.030 0.310 13.170 504 HG SER 67 HG SER 67 6.991 -1.394 14.041 505 H SER 68 H SER 68 7.038 -2.835 10.775 506 HA SER 68 HA SER 68 9.828 -2.651 10.341 507 HB2 SER 68 1HB SER 68 7.797 -4.760 10.645 508 HB3 SER 68 2HB SER 68 8.988 -5.170 9.426 509 HG SER 68 HG SER 68 9.819 -5.894 11.389 510 H GLU 69 H GLU 69 7.100 -1.972 8.431 511 HA GLU 69 HA GLU 69 8.227 -2.963 5.988 512 HB2 GLU 69 1HB GLU 69 5.631 -1.926 6.904 513 HB3 GLU 69 2HB GLU 69 6.083 -1.268 5.343 514 HG2 GLU 69 1HG GLU 69 6.213 -4.251 5.967 515 HG3 GLU 69 2HG GLU 69 4.782 -3.488 5.303 516 H ARG 70 H ARG 70 7.399 0.253 7.462 517 HA ARG 70 HA ARG 70 8.350 1.786 5.420 518 HB2 ARG 70 1HB ARG 70 8.541 3.597 7.135 519 HB3 ARG 70 2HB ARG 70 7.048 2.697 7.313 520 HG2 ARG 70 1HG ARG 70 7.745 1.642 9.285 521 HG3 ARG 70 2HG ARG 70 9.444 1.734 8.865 522 HD2 ARG 70 1HD ARG 70 8.884 4.406 9.044 523 HD3 ARG 70 2HD ARG 70 7.697 3.789 10.176 524 HE ARG 70 HE ARG 70 10.189 2.507 10.730 525 HH11 ARG 70 2HH2 ARG 70 8.718 5.698 10.929 526 HH12 ARG 70 1HH2 ARG 70 9.711 6.213 12.252 527 HH21 ARG 70 2HH1 ARG 70 11.499 3.186 12.475 528 HH22 ARG 70 1HH1 ARG 70 11.303 4.774 13.137 529 H SER 71 H SER 71 10.061 -0.066 7.891 530 HA SER 71 HA SER 71 12.523 1.336 7.310 531 HB2 SER 71 1HB SER 71 11.600 0.468 9.674 532 HB3 SER 71 2HB SER 71 12.378 -1.023 9.180 533 HG SER 71 HG SER 71 13.767 0.458 10.427 534 H GLY 72 H GLY 72 10.800 -0.815 5.659 535 HA2 GLY 72 1HA GLY 72 13.157 -2.169 4.606 536 HA3 GLY 72 2HA GLY 72 11.908 -3.195 5.283 537 HA PRO 73 HA PRO 73 9.918 -0.968 1.605 538 HB2 PRO 73 1HB PRO 73 11.350 0.847 0.146 539 HB3 PRO 73 2HB PRO 73 10.267 1.302 1.447 540 HG2 PRO 73 1HG PRO 73 13.222 1.231 1.434 541 HG3 PRO 73 2HG PRO 73 12.149 2.066 2.539 542 HD2 PRO 73 1HD PRO 73 13.576 -0.371 3.046 543 HD3 PRO 73 2HD PRO 73 12.415 0.404 4.105 544 H SER 74 H SER 74 13.341 -1.522 1.114 545 HA SER 74 HA SER 74 12.530 -3.333 -1.012 546 HB2 SER 74 1HB SER 74 15.016 -1.576 -1.151 547 HB3 SER 74 2HB SER 74 14.403 -2.635 -2.407 548 HG SER 74 HG SER 74 12.460 -0.836 -1.588 549 H SER 75 H SER 75 13.653 -5.320 -1.022 550 HA SER 75 HA SER 75 14.723 -6.204 1.296 551 HB2 SER 75 1HB SER 75 15.753 -8.049 -0.158 552 HB3 SER 75 2HB SER 75 14.025 -7.808 -0.323 553 HG SER 75 HG SER 75 14.486 -7.672 -2.417 554 H GLY 76 H GLY 76 16.657 -5.903 2.355 555 HA2 GLY 76 1HA GLY 76 19.164 -6.025 1.615 556 HA3 GLY 76 2HA GLY 76 18.772 -4.460 0.930 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -10.304 -18.471 -1.472 2 HA2 GLY 1 1HA GLY 1 -11.848 -16.740 0.253 3 HA3 GLY 1 2HA GLY 1 -11.615 -18.358 0.882 4 H SER 2 H SER 2 -9.711 -15.707 -0.726 5 HA SER 2 HA SER 2 -7.749 -16.027 1.365 6 HB2 SER 2 1HB SER 2 -5.867 -16.151 -0.207 7 HB3 SER 2 2HB SER 2 -6.955 -17.501 -0.465 8 HG SER 2 HG SER 2 -7.089 -15.054 -2.005 9 H SER 3 H SER 3 -6.895 -14.034 1.988 10 HA SER 3 HA SER 3 -7.649 -11.804 0.264 11 HB2 SER 3 1HB SER 3 -8.450 -12.230 2.855 12 HB3 SER 3 2HB SER 3 -7.010 -11.270 3.129 13 HG SER 3 HG SER 3 -7.932 -9.710 1.528 14 H GLY 4 H GLY 4 -6.125 -9.818 0.574 15 HA2 GLY 4 1HA GLY 4 -4.063 -8.988 0.220 16 HA3 GLY 4 2HA GLY 4 -3.617 -9.889 1.655 17 H SER 5 H SER 5 -4.119 -10.280 -1.914 18 HA SER 5 HA SER 5 -1.715 -11.865 -1.951 19 HB2 SER 5 1HB SER 5 -2.729 -13.695 -3.229 20 HB3 SER 5 2HB SER 5 -3.544 -13.528 -1.687 21 HG SER 5 HG SER 5 -4.511 -12.302 -4.123 22 H SER 6 H SER 6 -0.486 -10.752 -3.426 23 HA SER 6 HA SER 6 -1.840 -9.979 -5.883 24 HB2 SER 6 1HB SER 6 -1.353 -8.045 -4.198 25 HB3 SER 6 2HB SER 6 0.333 -8.269 -4.624 26 HG SER 6 HG SER 6 -0.793 -8.165 -6.973 27 H GLY 7 H GLY 7 1.433 -10.154 -4.284 28 HA2 GLY 7 1HA GLY 7 2.423 -12.146 -6.008 29 HA3 GLY 7 2HA GLY 7 2.898 -10.578 -6.629 30 H SER 8 H SER 8 4.324 -9.204 -5.404 31 HA SER 8 HA SER 8 5.515 -10.579 -3.122 32 HB2 SER 8 1HB SER 8 6.756 -9.478 -5.589 33 HB3 SER 8 2HB SER 8 7.564 -9.001 -4.110 34 HG SER 8 HG SER 8 8.526 -10.918 -4.389 35 H HIS 9 H HIS 9 6.645 -9.035 -1.568 36 HA HIS 9 HA HIS 9 6.597 -7.291 -0.240 37 HB2 HIS 9 1HB HIS 9 7.550 -6.163 -2.220 38 HB3 HIS 9 2HB HIS 9 5.939 -5.717 -2.746 39 HD1 HIS 9 1HD HIS 9 8.729 -4.300 -1.067 40 HD2 HIS 9 2HD HIS 9 4.584 -4.152 -0.442 41 HE1 HIS 9 1HE HIS 9 8.296 -2.234 0.367 42 H GLN 10 H GLN 10 5.162 -6.075 1.113 43 HA GLN 10 HA GLN 10 2.513 -5.607 0.281 44 HB2 GLN 10 1HB GLN 10 2.775 -8.202 0.911 45 HB3 GLN 10 2HB GLN 10 2.608 -7.591 2.546 46 HG2 GLN 10 1HG GLN 10 0.365 -7.946 1.998 47 HG3 GLN 10 2HG GLN 10 0.537 -6.261 1.550 48 HE21 GLN 10 1HE2 GLN 10 0.004 -9.480 0.494 49 HE22 GLN 10 2HE2 GLN 10 -0.233 -9.181 -1.195 50 H LEU 11 H LEU 11 1.914 -3.775 1.359 51 HA LEU 11 HA LEU 11 3.141 -3.352 3.996 52 HB2 LEU 11 1HB LEU 11 3.590 -1.885 1.728 53 HB3 LEU 11 2HB LEU 11 2.295 -0.979 2.484 54 HG LEU 11 HG LEU 11 4.914 -1.718 3.822 55 HD11 LEU 11 1HD1 LEU 11 5.145 0.888 3.674 56 HD12 LEU 11 2HD1 LEU 11 5.589 -0.140 2.290 57 HD13 LEU 11 3HD1 LEU 11 4.025 0.708 2.303 58 HD21 LEU 11 1HD2 LEU 11 3.063 0.381 4.873 59 HD22 LEU 11 2HD2 LEU 11 2.677 -1.330 5.172 60 HD23 LEU 11 3HD2 LEU 11 4.228 -0.658 5.728 61 H ILE 12 H ILE 12 1.704 -3.407 5.630 62 HA ILE 12 HA ILE 12 -1.109 -3.195 4.965 63 HB ILE 12 HB ILE 12 0.430 -4.051 7.405 64 HG12 ILE 12 1HG1 ILE 12 -1.507 -5.937 6.499 65 HG13 ILE 12 2HG1 ILE 12 -0.620 -5.383 5.093 66 HG21 ILE 12 1HG2 ILE 12 -1.413 -2.888 8.333 67 HG22 ILE 12 2HG2 ILE 12 -2.539 -3.557 7.128 68 HG23 ILE 12 3HG2 ILE 12 -1.834 -4.616 8.372 69 HD11 ILE 12 1HD1 ILE 12 0.749 -6.278 7.667 70 HD12 ILE 12 2HD1 ILE 12 0.420 -7.369 6.299 71 HD13 ILE 12 3HD1 ILE 12 1.511 -5.978 6.087 72 H VAL 13 H VAL 13 -1.814 -1.128 4.690 73 HA VAL 13 HA VAL 13 -1.104 0.750 6.837 74 HB VAL 13 HB VAL 13 -1.201 2.536 5.174 75 HG11 VAL 13 1HG1 VAL 13 0.893 0.947 5.683 76 HG12 VAL 13 2HG1 VAL 13 0.733 0.626 3.940 77 HG13 VAL 13 3HG1 VAL 13 0.974 2.291 4.520 78 HG21 VAL 13 1HG2 VAL 13 -2.195 0.365 3.462 79 HG22 VAL 13 2HG2 VAL 13 -2.400 2.128 3.319 80 HG23 VAL 13 3HG2 VAL 13 -0.923 1.350 2.699 81 H LYS 14 H LYS 14 -2.797 1.936 7.733 82 HA LYS 14 HA LYS 14 -5.446 1.046 6.866 83 HB2 LYS 14 1HB LYS 14 -4.625 0.660 9.243 84 HB3 LYS 14 2HB LYS 14 -4.708 2.395 9.473 85 HG2 LYS 14 1HG LYS 14 -6.850 1.845 10.166 86 HG3 LYS 14 2HG LYS 14 -7.173 2.079 8.460 87 HD2 LYS 14 1HD LYS 14 -8.136 -0.015 8.716 88 HD3 LYS 14 2HD LYS 14 -6.504 -0.519 8.318 89 HE2 LYS 14 1HE LYS 14 -6.038 -1.224 10.479 90 HE3 LYS 14 2HE LYS 14 -7.020 0.025 11.219 91 HZ1 LYS 14 1HZ LYS 14 -7.757 -2.602 10.438 92 HZ2 LYS 14 2HZ LYS 14 -8.484 -1.592 11.495 93 HZ3 LYS 14 3HZ LYS 14 -8.815 -1.481 9.900 94 H ALA 15 H ALA 15 -7.114 2.546 6.413 95 HA ALA 15 HA ALA 15 -6.188 4.958 5.249 96 HB1 ALA 15 1HB ALA 15 -8.027 3.833 4.227 97 HB2 ALA 15 2HB ALA 15 -8.917 3.732 5.765 98 HB3 ALA 15 3HB ALA 15 -8.710 5.305 4.958 99 H ARG 16 H ARG 16 -7.131 7.148 5.806 100 HA ARG 16 HA ARG 16 -6.803 7.497 8.624 101 HB2 ARG 16 1HB ARG 16 -5.711 9.027 6.956 102 HB3 ARG 16 2HB ARG 16 -7.290 9.545 6.401 103 HG2 ARG 16 1HG ARG 16 -7.506 11.016 8.118 104 HG3 ARG 16 2HG ARG 16 -7.131 9.785 9.307 105 HD2 ARG 16 1HD ARG 16 -4.884 10.950 7.641 106 HD3 ARG 16 2HD ARG 16 -5.516 11.880 8.985 107 HE ARG 16 HE ARG 16 -3.879 9.482 9.160 108 HH11 ARG 16 2HH2 ARG 16 -6.375 11.321 10.823 109 HH12 ARG 16 1HH2 ARG 16 -5.960 10.711 12.390 110 HH21 ARG 16 2HH1 ARG 16 -3.331 8.676 11.227 111 HH22 ARG 16 1HH1 ARG 16 -4.216 9.197 12.622 112 H PHE 17 H PHE 17 -9.206 8.643 6.126 113 HA PHE 17 HA PHE 17 -11.350 8.031 7.970 114 HB2 PHE 17 1HB PHE 17 -12.196 10.360 7.866 115 HB3 PHE 17 2HB PHE 17 -10.542 10.405 8.442 116 HD1 PHE 17 1HD PHE 17 -12.470 10.618 5.253 117 HD2 PHE 17 2HD PHE 17 -9.058 11.871 7.443 118 HE1 PHE 17 1HE PHE 17 -11.872 12.212 3.409 119 HE2 PHE 17 2HE PHE 17 -8.460 13.466 5.599 120 HZ PHE 17 HZ PHE 17 -9.874 13.617 3.604 121 H ASN 18 H ASN 18 -13.549 8.800 6.798 122 HA ASN 18 HA ASN 18 -13.958 7.240 4.705 123 HB2 ASN 18 1HB ASN 18 -15.453 9.136 6.046 124 HB3 ASN 18 2HB ASN 18 -15.331 9.895 4.472 125 HD21 ASN 18 1HD2 ASN 18 -16.727 7.410 6.355 126 HD22 ASN 18 2HD2 ASN 18 -17.717 6.663 5.147 127 H PHE 19 H PHE 19 -12.384 7.194 3.019 128 HA PHE 19 HA PHE 19 -11.817 9.739 1.697 129 HB2 PHE 19 1HB PHE 19 -9.905 8.334 2.488 130 HB3 PHE 19 2HB PHE 19 -10.568 6.928 1.677 131 HD1 PHE 19 2HD PHE 19 -9.326 10.366 0.939 132 HD2 PHE 19 1HD PHE 19 -9.812 6.384 -0.446 133 HE1 PHE 19 2HE PHE 19 -7.984 10.914 -1.111 134 HE2 PHE 19 1HE PHE 19 -8.471 6.932 -2.496 135 HZ PHE 19 HZ PHE 19 -7.573 9.191 -2.803 136 H LYS 20 H LYS 20 -12.180 10.042 -0.531 137 HA LYS 20 HA LYS 20 -13.832 7.942 -1.752 138 HB2 LYS 20 1HB LYS 20 -14.965 10.120 -1.211 139 HB3 LYS 20 2HB LYS 20 -13.884 10.916 -2.336 140 HG2 LYS 20 1HG LYS 20 -15.556 10.452 -3.846 141 HG3 LYS 20 2HG LYS 20 -14.747 8.900 -3.947 142 HD2 LYS 20 1HD LYS 20 -16.297 8.223 -1.922 143 HD3 LYS 20 2HD LYS 20 -17.249 9.620 -2.386 144 HE2 LYS 20 1HE LYS 20 -17.655 8.722 -4.607 145 HE3 LYS 20 2HE LYS 20 -16.459 7.460 -4.389 146 HZ1 LYS 20 1HZ LYS 20 -17.904 6.729 -2.475 147 HZ2 LYS 20 2HZ LYS 20 -19.064 7.704 -3.084 148 HZ3 LYS 20 3HZ LYS 20 -18.489 6.464 -3.977 149 H GLN 21 H GLN 21 -13.320 7.203 -3.815 150 HA GLN 21 HA GLN 21 -10.642 7.862 -4.622 151 HB2 GLN 21 1HB GLN 21 -10.822 5.911 -6.089 152 HB3 GLN 21 2HB GLN 21 -11.381 5.488 -4.483 153 HG2 GLN 21 1HG GLN 21 -13.769 6.068 -5.339 154 HG3 GLN 21 2HG GLN 21 -13.073 6.066 -6.948 155 HE21 GLN 21 1HE2 GLN 21 -11.179 4.062 -6.703 156 HE22 GLN 21 2HE2 GLN 21 -11.953 2.526 -6.503 157 H THR 22 H THR 22 -10.061 8.681 -6.714 158 HA THR 22 HA THR 22 -12.002 10.473 -7.808 159 HB THR 22 HB THR 22 -10.055 11.054 -9.297 160 HG1 THR 22 1HG THR 22 -9.215 8.866 -9.460 161 HG21 THR 22 1HG2 THR 22 -10.067 11.199 -6.418 162 HG22 THR 22 2HG2 THR 22 -8.421 10.751 -6.927 163 HG23 THR 22 3HG2 THR 22 -9.172 12.236 -7.555 164 H ASN 23 H ASN 23 -11.173 7.148 -8.344 165 HA ASN 23 HA ASN 23 -13.058 7.133 -10.500 166 HB2 ASN 23 1HB ASN 23 -10.253 5.960 -10.881 167 HB3 ASN 23 2HB ASN 23 -11.556 5.897 -12.050 168 HD21 ASN 23 1HD2 ASN 23 -12.138 7.694 -13.213 169 HD22 ASN 23 2HD2 ASN 23 -11.188 9.139 -13.296 170 H GLU 24 H GLU 24 -13.775 4.837 -10.948 171 HA GLU 24 HA GLU 24 -13.854 3.351 -8.583 172 HB2 GLU 24 1HB GLU 24 -15.070 1.667 -9.999 173 HB3 GLU 24 2HB GLU 24 -15.720 3.289 -10.134 174 HG2 GLU 24 1HG GLU 24 -13.562 2.711 -12.091 175 HG3 GLU 24 2HG GLU 24 -14.966 1.677 -12.273 176 H ASP 25 H ASP 25 -11.416 3.680 -10.923 177 HA ASP 25 HA ASP 25 -10.560 0.958 -10.843 178 HB2 ASP 25 1HB ASP 25 -10.237 2.827 -12.713 179 HB3 ASP 25 2HB ASP 25 -8.840 3.279 -11.756 180 H GLU 26 H GLU 26 -9.888 4.112 -9.294 181 HA GLU 26 HA GLU 26 -7.444 3.328 -8.142 182 HB2 GLU 26 1HB GLU 26 -8.796 5.717 -8.482 183 HB3 GLU 26 2HB GLU 26 -9.000 5.450 -6.762 184 HG2 GLU 26 1HG GLU 26 -6.905 6.281 -6.486 185 HG3 GLU 26 2HG GLU 26 -6.305 4.792 -7.191 186 H LEU 27 H LEU 27 -7.448 3.828 -5.471 187 HA LEU 27 HA LEU 27 -9.077 1.635 -4.477 188 HB2 LEU 27 1HB LEU 27 -6.443 2.422 -4.093 189 HB3 LEU 27 2HB LEU 27 -7.238 2.896 -2.605 190 HG LEU 27 HG LEU 27 -6.195 0.616 -2.591 191 HD11 LEU 27 1HD1 LEU 27 -8.958 1.290 -1.796 192 HD12 LEU 27 2HD1 LEU 27 -8.567 -0.446 -1.815 193 HD13 LEU 27 3HD1 LEU 27 -7.595 0.675 -0.832 194 HD21 LEU 27 1HD2 LEU 27 -7.701 0.323 -4.995 195 HD22 LEU 27 2HD2 LEU 27 -6.570 -0.822 -4.234 196 HD23 LEU 27 3HD2 LEU 27 -8.299 -0.863 -3.811 197 H SER 28 H SER 28 -10.841 1.900 -3.190 198 HA SER 28 HA SER 28 -11.313 4.637 -2.296 199 HB2 SER 28 1HB SER 28 -12.960 2.794 -3.809 200 HB3 SER 28 2HB SER 28 -13.754 3.141 -2.287 201 HG SER 28 HG SER 28 -13.188 5.503 -2.862 202 H VAL 29 H VAL 29 -10.739 4.700 -0.139 203 HA VAL 29 HA VAL 29 -11.610 2.430 1.510 204 HB VAL 29 HB VAL 29 -9.818 3.685 3.057 205 HG11 VAL 29 1HG1 VAL 29 -8.144 2.069 1.584 206 HG12 VAL 29 2HG1 VAL 29 -9.229 1.521 2.883 207 HG13 VAL 29 3HG1 VAL 29 -9.751 1.417 1.185 208 HG21 VAL 29 1HG2 VAL 29 -9.282 5.433 1.453 209 HG22 VAL 29 2HG2 VAL 29 -7.875 4.365 1.673 210 HG23 VAL 29 3HG2 VAL 29 -8.887 4.217 0.215 211 H CYS 30 H CYS 30 -12.595 2.894 3.572 212 HA CYS 30 HA CYS 30 -13.806 5.558 3.587 213 HB2 CYS 30 1HB CYS 30 -14.842 2.845 4.241 214 HB3 CYS 30 2HB CYS 30 -15.378 4.150 5.281 215 HG CYS 30 HG CYS 30 -16.412 3.265 2.529 216 H LYS 31 H LYS 31 -13.602 3.088 6.202 217 HA LYS 31 HA LYS 31 -11.537 4.571 7.562 218 HB2 LYS 31 1HB LYS 31 -14.089 5.445 8.001 219 HB3 LYS 31 2HB LYS 31 -13.935 4.238 9.262 220 HG2 LYS 31 1HG LYS 31 -12.168 5.361 10.327 221 HG3 LYS 31 2HG LYS 31 -11.641 6.156 8.857 222 HD2 LYS 31 1HD LYS 31 -12.722 7.993 9.671 223 HD3 LYS 31 2HD LYS 31 -14.190 7.198 9.141 224 HE2 LYS 31 1HE LYS 31 -13.745 5.990 11.610 225 HE3 LYS 31 2HE LYS 31 -13.161 7.618 11.895 226 HZ1 LYS 31 1HZ LYS 31 -15.264 8.438 11.032 227 HZ2 LYS 31 2HZ LYS 31 -15.807 6.912 10.826 228 HZ3 LYS 31 3HZ LYS 31 -15.492 7.471 12.328 229 H GLY 32 H GLY 32 -10.254 3.171 8.673 230 HA2 GLY 32 1HA GLY 32 -9.541 1.272 9.644 231 HA3 GLY 32 2HA GLY 32 -11.206 0.897 10.039 232 H ASP 33 H ASP 33 -9.165 1.127 7.029 233 HA ASP 33 HA ASP 33 -10.094 -1.551 6.400 234 HB2 ASP 33 1HB ASP 33 -10.121 0.900 4.594 235 HB3 ASP 33 2HB ASP 33 -10.120 -0.722 3.931 236 H ILE 34 H ILE 34 -7.959 -2.350 6.961 237 HA ILE 34 HA ILE 34 -5.577 -1.142 6.235 238 HB ILE 34 HB ILE 34 -6.488 -3.694 7.302 239 HG12 ILE 34 1HG1 ILE 34 -5.547 -2.144 8.800 240 HG13 ILE 34 2HG1 ILE 34 -4.331 -3.392 8.607 241 HG21 ILE 34 1HG2 ILE 34 -3.920 -3.677 5.692 242 HG22 ILE 34 2HG2 ILE 34 -4.482 -4.979 6.767 243 HG23 ILE 34 3HG2 ILE 34 -5.401 -4.581 5.295 244 HD11 ILE 34 1HD1 ILE 34 -3.563 -1.727 6.591 245 HD12 ILE 34 2HD1 ILE 34 -4.291 -0.543 7.703 246 HD13 ILE 34 3HD1 ILE 34 -2.955 -1.580 8.258 247 H ILE 35 H ILE 35 -4.379 -1.029 4.382 248 HA ILE 35 HA ILE 35 -5.400 -2.594 2.115 249 HB ILE 35 HB ILE 35 -4.177 0.162 1.999 250 HG12 ILE 35 1HG1 ILE 35 -6.941 0.148 1.261 251 HG13 ILE 35 2HG1 ILE 35 -6.801 -0.586 2.846 252 HG21 ILE 35 1HG2 ILE 35 -4.336 0.060 -0.239 253 HG22 ILE 35 2HG2 ILE 35 -4.317 -1.701 0.024 254 HG23 ILE 35 3HG2 ILE 35 -5.864 -0.851 -0.200 255 HD11 ILE 35 1HD1 ILE 35 -5.829 2.164 1.979 256 HD12 ILE 35 2HD1 ILE 35 -7.018 1.768 3.242 257 HD13 ILE 35 3HD1 ILE 35 -5.295 1.403 3.497 258 H TYR 36 H TYR 36 -3.902 -3.698 0.862 259 HA TYR 36 HA TYR 36 -1.239 -3.839 2.038 260 HB2 TYR 36 1HB TYR 36 -2.720 -5.429 -0.150 261 HB3 TYR 36 2HB TYR 36 -1.197 -5.913 0.570 262 HD1 TYR 36 2HD TYR 36 -1.449 -5.774 3.375 263 HD2 TYR 36 1HD TYR 36 -4.492 -6.749 0.531 264 HE1 TYR 36 2HE TYR 36 -2.711 -7.071 5.160 265 HE2 TYR 36 1HE TYR 36 -5.745 -8.043 2.325 266 HH TYR 36 HH TYR 36 -4.457 -9.142 4.982 267 H VAL 37 H VAL 37 0.256 -2.449 1.222 268 HA VAL 37 HA VAL 37 -0.039 -1.470 -1.467 269 HB VAL 37 HB VAL 37 2.209 -1.016 0.497 270 HG11 VAL 37 1HG1 VAL 37 2.703 0.938 -0.742 271 HG12 VAL 37 2HG1 VAL 37 2.441 -0.336 -1.957 272 HG13 VAL 37 3HG1 VAL 37 1.165 0.863 -1.634 273 HG21 VAL 37 1HG2 VAL 37 -0.477 -0.430 0.961 274 HG22 VAL 37 2HG2 VAL 37 0.926 0.292 1.783 275 HG23 VAL 37 3HG2 VAL 37 0.208 1.103 0.371 276 H THR 38 H THR 38 0.802 -2.411 -3.252 277 HA THR 38 HA THR 38 2.887 -4.442 -2.817 278 HB THR 38 HB THR 38 0.985 -5.495 -3.790 279 HG1 THR 38 1HG THR 38 1.744 -5.683 -6.075 280 HG21 THR 38 1HG2 THR 38 0.776 -3.038 -5.610 281 HG22 THR 38 2HG2 THR 38 -0.208 -4.513 -5.778 282 HG23 THR 38 3HG2 THR 38 -0.378 -3.489 -4.332 283 H ARG 39 H ARG 39 1.900 -1.656 -4.881 284 HA ARG 39 HA ARG 39 4.278 -1.763 -6.362 285 HB2 ARG 39 1HB ARG 39 2.177 -0.688 -7.190 286 HB3 ARG 39 2HB ARG 39 2.299 0.534 -5.940 287 HG2 ARG 39 1HG ARG 39 3.685 1.773 -7.235 288 HG3 ARG 39 2HG ARG 39 4.827 0.448 -7.330 289 HD2 ARG 39 1HD ARG 39 2.347 0.362 -9.066 290 HD3 ARG 39 2HD ARG 39 3.674 1.404 -9.540 291 HE ARG 39 HE ARG 39 4.556 -1.298 -8.854 292 HH11 ARG 39 2HH2 ARG 39 3.256 0.725 -11.424 293 HH12 ARG 39 1HH2 ARG 39 3.867 -0.278 -12.697 294 HH21 ARG 39 2HH1 ARG 39 5.363 -2.622 -10.534 295 HH22 ARG 39 1HH1 ARG 39 5.073 -2.195 -12.188 296 H VAL 40 H VAL 40 3.091 0.935 -4.220 297 HA VAL 40 HA VAL 40 4.120 2.105 -2.633 298 HB VAL 40 HB VAL 40 6.528 0.312 -2.965 299 HG11 VAL 40 1HG1 VAL 40 7.426 1.493 -1.301 300 HG12 VAL 40 2HG1 VAL 40 6.032 2.598 -1.362 301 HG13 VAL 40 3HG1 VAL 40 6.003 1.188 -0.276 302 HG21 VAL 40 1HG2 VAL 40 4.360 -0.133 -0.915 303 HG22 VAL 40 2HG2 VAL 40 4.257 -0.859 -2.537 304 HG23 VAL 40 3HG2 VAL 40 5.630 -1.248 -1.472 305 H GLU 41 H GLU 41 3.935 3.733 -4.374 306 HA GLU 41 HA GLU 41 6.494 4.246 -5.654 307 HB2 GLU 41 1HB GLU 41 3.648 5.084 -6.295 308 HB3 GLU 41 2HB GLU 41 5.014 5.919 -7.009 309 HG2 GLU 41 1HG GLU 41 5.258 2.973 -7.169 310 HG3 GLU 41 2HG GLU 41 3.836 3.581 -7.990 311 H GLU 42 H GLU 42 7.405 6.426 -5.610 312 HA GLU 42 HA GLU 42 6.604 7.796 -3.180 313 HB2 GLU 42 1HB GLU 42 8.838 8.813 -3.227 314 HB3 GLU 42 2HB GLU 42 8.972 7.071 -3.356 315 HG2 GLU 42 1HG GLU 42 9.522 7.147 -5.664 316 HG3 GLU 42 2HG GLU 42 8.830 8.743 -5.881 317 H GLY 43 H GLY 43 5.826 7.888 -6.378 318 HA2 GLY 43 1HA GLY 43 6.258 10.538 -7.185 319 HA3 GLY 43 2HA GLY 43 5.020 9.449 -7.779 320 H GLY 44 H GLY 44 3.496 8.954 -5.442 321 HA2 GLY 44 1HA GLY 44 2.812 10.956 -3.765 322 HA3 GLY 44 2HA GLY 44 2.045 11.446 -5.263 323 H TRP 45 H TRP 45 1.636 8.644 -6.241 324 HA TRP 45 HA TRP 45 -0.664 8.043 -4.535 325 HB2 TRP 45 1HB TRP 45 -0.047 7.259 -7.390 326 HB3 TRP 45 2HB TRP 45 -1.474 6.773 -6.495 327 HD1 TRP 45 HD TRP 45 0.174 10.116 -7.677 328 HE1 TRP 45 1HE TRP 45 -1.677 11.920 -8.210 329 HE3 TRP 45 3HE TRP 45 -3.773 7.266 -6.206 330 HZ2 TRP 45 2HZ TRP 45 -4.520 11.952 -7.962 331 HZ3 TRP 45 3HZ TRP 45 -6.052 8.259 -6.385 332 HH2 TRP 45 HH TRP 45 -6.459 10.517 -7.227 333 H TRP 46 H TRP 46 -1.101 5.719 -4.070 334 HA TRP 46 HA TRP 46 1.319 4.068 -4.209 335 HB2 TRP 46 1HB TRP 46 0.076 5.164 -1.831 336 HB3 TRP 46 2HB TRP 46 0.051 3.412 -1.803 337 HD1 TRP 46 HD TRP 46 3.026 5.184 -3.480 338 HE1 TRP 46 1HE TRP 46 5.255 4.820 -2.115 339 HE3 TRP 46 3HE TRP 46 0.824 2.982 0.540 340 HZ2 TRP 46 2HZ TRP 46 5.835 3.678 0.436 341 HZ3 TRP 46 3HZ TRP 46 2.293 2.272 2.425 342 HH2 TRP 46 HH TRP 46 4.717 2.589 2.417 343 H GLU 47 H GLU 47 0.857 2.067 -5.052 344 HA GLU 47 HA GLU 47 -1.960 1.469 -5.386 345 HB2 GLU 47 1HB GLU 47 -0.924 1.332 -7.484 346 HB3 GLU 47 2HB GLU 47 0.567 0.685 -6.831 347 HG2 GLU 47 1HG GLU 47 -0.466 -1.494 -6.428 348 HG3 GLU 47 2HG GLU 47 -2.058 -0.871 -6.816 349 H GLY 48 H GLY 48 -2.920 0.034 -4.018 350 HA2 GLY 48 1HA GLY 48 -1.255 -2.141 -2.922 351 HA3 GLY 48 2HA GLY 48 -2.241 -1.147 -1.868 352 H THR 49 H THR 49 -3.365 -3.186 -1.284 353 HA THR 49 HA THR 49 -5.553 -3.681 -3.157 354 HB THR 49 HB THR 49 -3.446 -5.628 -2.218 355 HG1 THR 49 1HG THR 49 -5.313 -5.355 -4.469 356 HG21 THR 49 1HG2 THR 49 -5.381 -7.335 -3.075 357 HG22 THR 49 2HG2 THR 49 -5.140 -6.978 -1.348 358 HG23 THR 49 3HG2 THR 49 -6.414 -6.135 -2.261 359 H LEU 50 H LEU 50 -7.485 -3.600 -2.188 360 HA LEU 50 HA LEU 50 -7.453 -3.784 0.742 361 HB2 LEU 50 1HB LEU 50 -7.994 -1.572 -0.022 362 HB3 LEU 50 2HB LEU 50 -9.202 -2.190 -1.132 363 HG LEU 50 HG LEU 50 -10.546 -2.984 0.804 364 HD11 LEU 50 1HD1 LEU 50 -8.476 -3.109 2.325 365 HD12 LEU 50 2HD1 LEU 50 -8.742 -1.370 2.600 366 HD13 LEU 50 3HD1 LEU 50 -10.009 -2.544 3.033 367 HD21 LEU 50 1HD2 LEU 50 -11.590 -1.065 0.412 368 HD22 LEU 50 2HD2 LEU 50 -10.589 -0.320 1.681 369 HD23 LEU 50 3HD2 LEU 50 -10.064 -0.257 -0.018 370 H ASN 51 H ASN 51 -9.682 -4.529 1.638 371 HA ASN 51 HA ASN 51 -10.064 -7.092 1.049 372 HB2 ASN 51 1HB ASN 51 -12.530 -6.649 1.877 373 HB3 ASN 51 2HB ASN 51 -11.205 -6.299 2.970 374 HD21 ASN 51 1HD2 ASN 51 -11.424 -4.487 4.013 375 HD22 ASN 51 2HD2 ASN 51 -12.132 -3.015 3.438 376 H GLY 52 H GLY 52 -10.107 -7.592 -1.229 377 HA2 GLY 52 1HA GLY 52 -11.027 -7.926 -3.252 378 HA3 GLY 52 2HA GLY 52 -12.588 -7.639 -2.508 379 H ARG 53 H ARG 53 -9.815 -5.334 -2.728 380 HA ARG 53 HA ARG 53 -11.165 -3.909 -4.808 381 HB2 ARG 53 1HB ARG 53 -12.303 -2.859 -2.972 382 HB3 ARG 53 2HB ARG 53 -10.859 -2.825 -1.980 383 HG2 ARG 53 1HG ARG 53 -10.266 -0.795 -2.802 384 HG3 ARG 53 2HG ARG 53 -10.337 -1.386 -4.450 385 HD2 ARG 53 1HD ARG 53 -13.050 -1.102 -3.472 386 HD3 ARG 53 2HD ARG 53 -12.182 0.378 -3.120 387 HE ARG 53 HE ARG 53 -12.066 0.835 -5.414 388 HH11 ARG 53 2HH2 ARG 53 -12.873 -2.558 -4.950 389 HH12 ARG 53 1HH2 ARG 53 -13.181 -2.847 -6.631 390 HH21 ARG 53 2HH1 ARG 53 -12.473 0.455 -7.630 391 HH22 ARG 53 1HH1 ARG 53 -12.952 -1.121 -8.165 392 H THR 54 H THR 54 -9.547 -3.304 -6.215 393 HA THR 54 HA THR 54 -6.899 -2.755 -5.042 394 HB THR 54 HB THR 54 -7.512 -3.888 -7.815 395 HG1 THR 54 1HG THR 54 -8.132 -5.531 -6.403 396 HG21 THR 54 1HG2 THR 54 -5.240 -3.346 -7.913 397 HG22 THR 54 2HG2 THR 54 -5.055 -3.383 -6.143 398 HG23 THR 54 3HG2 THR 54 -5.110 -4.905 -7.065 399 H GLY 55 H GLY 55 -5.587 -1.134 -6.094 400 HA2 GLY 55 1HA GLY 55 -6.061 0.460 -8.165 401 HA3 GLY 55 2HA GLY 55 -7.250 1.067 -7.031 402 H TRP 56 H TRP 56 -5.639 3.013 -7.539 403 HA TRP 56 HA TRP 56 -3.313 2.872 -5.781 404 HB2 TRP 56 1HB TRP 56 -4.168 4.885 -7.865 405 HB3 TRP 56 2HB TRP 56 -2.766 5.075 -6.832 406 HD1 TRP 56 HD TRP 56 -4.036 2.355 -9.352 407 HE1 TRP 56 1HE TRP 56 -2.011 1.350 -10.714 408 HE3 TRP 56 3HE TRP 56 -0.426 5.036 -6.976 409 HZ2 TRP 56 2HZ TRP 56 0.809 1.780 -10.645 410 HZ3 TRP 56 3HZ TRP 56 1.938 4.683 -7.686 411 HH2 TRP 56 HH TRP 56 2.579 3.122 -9.452 412 H PHE 57 H PHE 57 -2.963 5.014 -4.464 413 HA PHE 57 HA PHE 57 -5.128 6.610 -3.781 414 HB2 PHE 57 1HB PHE 57 -5.678 5.569 -1.565 415 HB3 PHE 57 2HB PHE 57 -6.001 4.432 -2.859 416 HD1 PHE 57 2HD PHE 57 -3.719 5.258 -0.100 417 HD2 PHE 57 1HD PHE 57 -4.719 2.412 -3.084 418 HE1 PHE 57 2HE PHE 57 -2.233 3.569 1.013 419 HE2 PHE 57 1HE PHE 57 -3.234 0.723 -1.971 420 HZ PHE 57 HZ PHE 57 -2.009 1.321 0.065 421 HA PRO 58 HA PRO 58 -1.905 8.578 -1.662 422 HB2 PRO 58 1HB PRO 58 -3.215 10.134 0.162 423 HB3 PRO 58 2HB PRO 58 -3.067 10.561 -1.531 424 HG2 PRO 58 1HG PRO 58 -5.423 9.521 -0.079 425 HG3 PRO 58 2HG PRO 58 -5.361 10.341 -1.627 426 HD2 PRO 58 1HD PRO 58 -5.711 7.528 -1.188 427 HD3 PRO 58 2HD PRO 58 -5.533 8.333 -2.734 428 H SER 59 H SER 59 -0.334 7.838 -0.392 429 HA SER 59 HA SER 59 -1.235 6.149 1.750 430 HB2 SER 59 1HB SER 59 1.300 5.760 2.002 431 HB3 SER 59 2HB SER 59 0.561 5.210 0.512 432 HG SER 59 HG SER 59 2.643 6.829 0.722 433 H ASN 60 H ASN 60 0.473 9.261 1.197 434 HA ASN 60 HA ASN 60 1.482 9.742 3.641 435 HB2 ASN 60 1HB ASN 60 0.319 11.453 1.457 436 HB3 ASN 60 2HB ASN 60 0.545 12.242 3.006 437 HD21 ASN 60 1HD2 ASN 60 1.928 13.103 0.859 438 HD22 ASN 60 2HD2 ASN 60 3.613 12.722 0.986 439 H TYR 61 H TYR 61 -1.911 9.824 2.514 440 HA TYR 61 HA TYR 61 -2.911 11.157 4.840 441 HB2 TYR 61 1HB TYR 61 -4.018 9.538 2.473 442 HB3 TYR 61 2HB TYR 61 -5.092 10.184 3.697 443 HD1 TYR 61 1HD TYR 61 -2.317 11.365 1.455 444 HD2 TYR 61 2HD TYR 61 -6.083 12.242 3.286 445 HE1 TYR 61 1HE TYR 61 -2.416 13.578 0.207 446 HE2 TYR 61 2HE TYR 61 -6.169 14.452 2.032 447 HH TYR 61 HH TYR 61 -3.789 15.961 0.878 448 H VAL 62 H VAL 62 -3.109 7.764 3.542 449 HA VAL 62 HA VAL 62 -4.379 6.789 5.867 450 HB VAL 62 HB VAL 62 -4.218 4.693 4.849 451 HG11 VAL 62 1HG1 VAL 62 -4.988 6.954 3.324 452 HG12 VAL 62 2HG1 VAL 62 -4.152 5.847 2.210 453 HG13 VAL 62 3HG1 VAL 62 -5.548 5.273 3.155 454 HG21 VAL 62 1HG2 VAL 62 -1.640 5.711 3.834 455 HG22 VAL 62 2HG2 VAL 62 -2.126 4.061 4.291 456 HG23 VAL 62 3HG2 VAL 62 -2.545 4.698 2.684 457 H ARG 63 H ARG 63 -3.511 5.456 7.562 458 HA ARG 63 HA ARG 63 -0.870 6.298 8.249 459 HB2 ARG 63 1HB ARG 63 -3.104 4.804 9.660 460 HB3 ARG 63 2HB ARG 63 -1.489 4.761 10.340 461 HG2 ARG 63 1HG ARG 63 -2.116 7.496 9.596 462 HG3 ARG 63 2HG ARG 63 -3.435 6.857 10.557 463 HD2 ARG 63 1HD ARG 63 -1.777 7.855 12.061 464 HD3 ARG 63 2HD ARG 63 -1.785 6.120 12.308 465 HE ARG 63 HE ARG 63 0.158 6.538 10.340 466 HH11 ARG 63 2HH2 ARG 63 -0.373 7.674 13.627 467 HH12 ARG 63 1HH2 ARG 63 1.314 7.870 13.968 468 HH21 ARG 63 2HH1 ARG 63 2.384 6.795 10.788 469 HH22 ARG 63 1HH1 ARG 63 2.893 7.366 12.342 470 H GLU 64 H GLU 64 0.781 4.662 9.071 471 HA GLU 64 HA GLU 64 0.580 2.249 7.447 472 HB2 GLU 64 1HB GLU 64 2.468 3.353 6.632 473 HB3 GLU 64 2HB GLU 64 2.870 4.055 8.187 474 HG2 GLU 64 1HG GLU 64 4.098 2.230 8.847 475 HG3 GLU 64 2HG GLU 64 2.960 1.085 8.164 476 H ILE 65 H ILE 65 0.910 0.214 8.403 477 HA ILE 65 HA ILE 65 0.992 0.277 11.325 478 HB ILE 65 HB ILE 65 0.114 -1.909 9.435 479 HG12 ILE 65 1HG1 ILE 65 -1.364 0.028 9.292 480 HG13 ILE 65 2HG1 ILE 65 -2.164 -1.322 10.073 481 HG21 ILE 65 1HG2 ILE 65 -0.145 -1.690 12.447 482 HG22 ILE 65 2HG2 ILE 65 -0.801 -2.990 11.424 483 HG23 ILE 65 3HG2 ILE 65 0.960 -2.770 11.565 484 HD11 ILE 65 1HD1 ILE 65 -1.679 -0.336 12.309 485 HD12 ILE 65 2HD1 ILE 65 -0.865 1.035 11.517 486 HD13 ILE 65 3HD1 ILE 65 -2.612 0.786 11.289 487 H LYS 66 H LYS 66 2.267 -1.690 8.544 488 HA LYS 66 HA LYS 66 4.103 -3.156 9.890 489 HB2 LYS 66 1HB LYS 66 3.921 -2.077 7.109 490 HB3 LYS 66 2HB LYS 66 5.440 -2.796 7.606 491 HG2 LYS 66 1HG LYS 66 3.198 -4.451 8.498 492 HG3 LYS 66 2HG LYS 66 3.083 -4.154 6.775 493 HD2 LYS 66 1HD LYS 66 4.540 -5.917 6.614 494 HD3 LYS 66 2HD LYS 66 5.759 -4.708 6.965 495 HE2 LYS 66 1HE LYS 66 6.124 -5.495 9.101 496 HE3 LYS 66 2HE LYS 66 4.428 -5.838 9.381 497 HZ1 LYS 66 1HZ LYS 66 6.351 -7.479 7.900 498 HZ2 LYS 66 2HZ LYS 66 5.511 -7.880 9.242 499 HZ3 LYS 66 3HZ LYS 66 4.742 -7.736 7.809 500 H SER 67 H SER 67 5.809 -2.722 11.177 501 HA SER 67 HA SER 67 6.762 -0.002 11.179 502 HB2 SER 67 1HB SER 67 6.135 -1.326 13.292 503 HB3 SER 67 2HB SER 67 7.585 -2.275 13.032 504 HG SER 67 HG SER 67 7.924 0.538 12.967 505 H SER 68 H SER 68 7.515 -3.023 9.752 506 HA SER 68 HA SER 68 10.355 -2.496 9.743 507 HB2 SER 68 1HB SER 68 9.056 -4.837 9.988 508 HB3 SER 68 2HB SER 68 9.118 -4.791 8.237 509 HG SER 68 HG SER 68 11.492 -4.301 9.789 510 H GLU 69 H GLU 69 7.574 -1.657 7.986 511 HA GLU 69 HA GLU 69 8.969 -1.656 5.449 512 HB2 GLU 69 1HB GLU 69 6.077 -1.196 6.254 513 HB3 GLU 69 2HB GLU 69 6.647 -0.785 4.649 514 HG2 GLU 69 1HG GLU 69 7.218 -3.537 5.791 515 HG3 GLU 69 2HG GLU 69 5.643 -3.190 5.106 516 H ARG 70 H ARG 70 7.618 0.504 7.965 517 HA ARG 70 HA ARG 70 7.819 2.849 6.523 518 HB2 ARG 70 1HB ARG 70 7.040 2.077 9.121 519 HB3 ARG 70 2HB ARG 70 8.395 3.152 9.406 520 HG2 ARG 70 1HG ARG 70 7.314 4.890 7.959 521 HG3 ARG 70 2HG ARG 70 5.958 3.815 7.684 522 HD2 ARG 70 1HD ARG 70 5.331 5.351 9.465 523 HD3 ARG 70 2HD ARG 70 5.544 3.768 10.185 524 HE ARG 70 HE ARG 70 7.289 6.120 10.561 525 HH11 ARG 70 2HH2 ARG 70 6.897 2.649 10.994 526 HH12 ARG 70 1HH2 ARG 70 8.099 2.540 12.237 527 HH21 ARG 70 2HH1 ARG 70 8.874 5.976 12.201 528 HH22 ARG 70 1HH1 ARG 70 9.231 4.445 12.928 529 H SER 71 H SER 71 10.123 1.164 8.755 530 HA SER 71 HA SER 71 12.114 3.163 8.143 531 HB2 SER 71 1HB SER 71 11.528 1.552 10.406 532 HB3 SER 71 2HB SER 71 13.052 0.941 9.792 533 HG SER 71 HG SER 71 13.681 2.598 11.111 534 H GLY 72 H GLY 72 10.940 0.805 6.362 535 HA2 GLY 72 1HA GLY 72 13.349 -0.746 5.847 536 HA3 GLY 72 2HA GLY 72 11.767 -0.948 5.120 537 HA PRO 73 HA PRO 73 13.636 1.087 1.722 538 HB2 PRO 73 1HB PRO 73 11.606 0.719 -0.072 539 HB3 PRO 73 2HB PRO 73 12.846 -0.482 0.232 540 HG2 PRO 73 1HG PRO 73 10.027 -0.462 1.124 541 HG3 PRO 73 2HG PRO 73 11.145 -1.810 1.044 542 HD2 PRO 73 1HD PRO 73 10.343 -0.381 3.399 543 HD3 PRO 73 2HD PRO 73 11.546 -1.652 3.302 544 H SER 74 H SER 74 13.529 3.026 0.475 545 HA SER 74 HA SER 74 13.009 5.118 0.234 546 HB2 SER 74 1HB SER 74 10.728 3.934 -0.363 547 HB3 SER 74 2HB SER 74 10.161 4.632 1.141 548 HG SER 74 HG SER 74 11.418 6.626 -0.116 549 H SER 75 H SER 75 13.846 6.599 1.654 550 HA SER 75 HA SER 75 13.281 6.286 4.434 551 HB2 SER 75 1HB SER 75 15.353 7.464 2.816 552 HB3 SER 75 2HB SER 75 14.736 8.711 3.881 553 HG SER 75 HG SER 75 16.430 6.717 4.499 554 H GLY 76 H GLY 76 11.259 6.996 5.086 555 HA2 GLY 76 1HA GLY 76 10.364 9.264 5.755 556 HA3 GLY 76 2HA GLY 76 10.334 9.598 4.034 Start of MODEL 17 1 H1 GLY 1 H GLY 1 0.908 -20.008 -9.347 2 HA2 GLY 1 1HA GLY 1 1.745 -20.916 -7.423 3 HA3 GLY 1 2HA GLY 1 3.032 -21.691 -8.326 4 H SER 2 H SER 2 5.071 -20.871 -8.101 5 HA SER 2 HA SER 2 6.706 -19.525 -7.630 6 HB2 SER 2 1HB SER 2 4.702 -17.699 -8.797 7 HB3 SER 2 2HB SER 2 5.807 -16.875 -7.715 8 HG SER 2 HG SER 2 7.089 -18.678 -9.432 9 H SER 3 H SER 3 6.558 -20.367 -5.398 10 HA SER 3 HA SER 3 6.006 -18.200 -3.576 11 HB2 SER 3 1HB SER 3 4.214 -20.396 -3.881 12 HB3 SER 3 2HB SER 3 5.072 -20.685 -2.381 13 HG SER 3 HG SER 3 3.863 -18.137 -3.022 14 H GLY 4 H GLY 4 8.366 -18.148 -3.463 15 HA2 GLY 4 1HA GLY 4 9.613 -20.541 -2.280 16 HA3 GLY 4 2HA GLY 4 10.437 -19.235 -3.108 17 H SER 5 H SER 5 8.314 -19.834 -0.222 18 HA SER 5 HA SER 5 8.150 -18.733 1.674 19 HB2 SER 5 1HB SER 5 10.207 -18.816 3.043 20 HB3 SER 5 2HB SER 5 10.017 -20.284 2.105 21 HG SER 5 HG SER 5 11.627 -18.055 1.208 22 H SER 6 H SER 6 7.364 -16.666 0.873 23 HA SER 6 HA SER 6 9.230 -14.677 0.133 24 HB2 SER 6 1HB SER 6 6.259 -14.534 0.805 25 HB3 SER 6 2HB SER 6 7.184 -13.180 0.185 26 HG SER 6 HG SER 6 7.500 -14.238 -1.777 27 H GLY 7 H GLY 7 9.174 -12.437 1.306 28 HA2 GLY 7 1HA GLY 7 9.370 -12.942 4.210 29 HA3 GLY 7 2HA GLY 7 10.318 -11.779 3.306 30 H SER 8 H SER 8 9.309 -9.802 2.504 31 HA SER 8 HA SER 8 6.609 -9.346 3.392 32 HB2 SER 8 1HB SER 8 7.286 -7.188 4.525 33 HB3 SER 8 2HB SER 8 7.801 -8.637 5.366 34 HG SER 8 HG SER 8 9.556 -7.369 3.472 35 H HIS 9 H HIS 9 5.630 -8.539 1.575 36 HA HIS 9 HA HIS 9 7.196 -6.640 -0.013 37 HB2 HIS 9 1HB HIS 9 6.817 -9.033 -0.968 38 HB3 HIS 9 2HB HIS 9 5.169 -8.501 -1.239 39 HD1 HIS 9 1HD HIS 9 4.881 -6.350 -2.867 40 HD2 HIS 9 2HD HIS 9 8.649 -8.192 -2.863 41 HE1 HIS 9 1HE HIS 9 6.079 -5.530 -4.964 42 H GLN 10 H GLN 10 3.967 -7.797 1.089 43 HA GLN 10 HA GLN 10 2.701 -5.462 0.073 44 HB2 GLN 10 1HB GLN 10 0.666 -6.399 1.061 45 HB3 GLN 10 2HB GLN 10 1.539 -7.659 0.212 46 HG2 GLN 10 1HG GLN 10 2.615 -7.734 2.819 47 HG3 GLN 10 2HG GLN 10 0.908 -7.437 3.078 48 HE21 GLN 10 1HE2 GLN 10 -0.468 -9.060 2.974 49 HE22 GLN 10 2HE2 GLN 10 -0.147 -10.650 2.367 50 H LEU 11 H LEU 11 2.030 -3.615 1.215 51 HA LEU 11 HA LEU 11 3.157 -3.413 3.913 52 HB2 LEU 11 1HB LEU 11 3.641 -1.868 1.736 53 HB3 LEU 11 2HB LEU 11 2.320 -0.979 2.468 54 HG LEU 11 HG LEU 11 4.954 -1.692 3.784 55 HD11 LEU 11 1HD1 LEU 11 4.865 0.980 3.879 56 HD12 LEU 11 2HD1 LEU 11 5.566 0.081 2.511 57 HD13 LEU 11 3HD1 LEU 11 3.908 0.722 2.399 58 HD21 LEU 11 1HD2 LEU 11 2.748 0.003 4.970 59 HD22 LEU 11 2HD2 LEU 11 2.951 -1.730 5.322 60 HD23 LEU 11 3HD2 LEU 11 4.238 -0.578 5.750 61 H ILE 12 H ILE 12 1.788 -3.383 5.611 62 HA ILE 12 HA ILE 12 -1.046 -3.184 5.025 63 HB ILE 12 HB ILE 12 0.559 -4.038 7.422 64 HG12 ILE 12 1HG1 ILE 12 -1.307 -5.987 6.685 65 HG13 ILE 12 2HG1 ILE 12 -0.702 -5.371 5.160 66 HG21 ILE 12 1HG2 ILE 12 -2.430 -3.605 7.222 67 HG22 ILE 12 2HG2 ILE 12 -1.642 -4.584 8.483 68 HG23 ILE 12 3HG2 ILE 12 -1.287 -2.844 8.356 69 HD11 ILE 12 1HD1 ILE 12 1.628 -5.757 5.876 70 HD12 ILE 12 2HD1 ILE 12 1.062 -6.290 7.477 71 HD13 ILE 12 3HD1 ILE 12 0.683 -7.258 6.032 72 H VAL 13 H VAL 13 -1.917 -1.185 4.909 73 HA VAL 13 HA VAL 13 -1.150 0.692 7.022 74 HB VAL 13 HB VAL 13 -1.192 2.512 5.372 75 HG11 VAL 13 1HG1 VAL 13 0.831 0.555 4.325 76 HG12 VAL 13 2HG1 VAL 13 1.019 2.274 4.750 77 HG13 VAL 13 3HG1 VAL 13 0.897 1.047 6.034 78 HG21 VAL 13 1HG2 VAL 13 -2.472 1.880 3.559 79 HG22 VAL 13 2HG2 VAL 13 -0.831 1.651 2.907 80 HG23 VAL 13 3HG2 VAL 13 -1.762 0.249 3.484 81 H LYS 14 H LYS 14 -2.873 1.751 7.959 82 HA LYS 14 HA LYS 14 -5.490 0.927 6.974 83 HB2 LYS 14 1HB LYS 14 -4.735 0.578 9.379 84 HB3 LYS 14 2HB LYS 14 -4.826 2.316 9.581 85 HG2 LYS 14 1HG LYS 14 -6.976 1.690 10.254 86 HG3 LYS 14 2HG LYS 14 -7.258 2.050 8.562 87 HD2 LYS 14 1HD LYS 14 -8.257 -0.043 8.661 88 HD3 LYS 14 2HD LYS 14 -6.629 -0.534 8.237 89 HE2 LYS 14 1HE LYS 14 -6.093 -1.099 10.530 90 HE3 LYS 14 2HE LYS 14 -7.525 -0.293 11.140 91 HZ1 LYS 14 1HZ LYS 14 -8.498 -2.247 10.969 92 HZ2 LYS 14 2HZ LYS 14 -8.455 -2.105 9.342 93 HZ3 LYS 14 3HZ LYS 14 -7.267 -2.908 10.124 94 H ALA 15 H ALA 15 -7.090 2.382 6.321 95 HA ALA 15 HA ALA 15 -6.153 4.784 5.191 96 HB1 ALA 15 1HB ALA 15 -8.764 5.099 4.981 97 HB2 ALA 15 2HB ALA 15 -7.946 3.813 4.061 98 HB3 ALA 15 3HB ALA 15 -8.814 3.418 5.564 99 H ARG 16 H ARG 16 -7.131 6.983 5.670 100 HA ARG 16 HA ARG 16 -6.930 7.371 8.506 101 HB2 ARG 16 1HB ARG 16 -5.679 8.826 6.860 102 HB3 ARG 16 2HB ARG 16 -7.211 9.420 6.249 103 HG2 ARG 16 1HG ARG 16 -7.343 10.942 7.923 104 HG3 ARG 16 2HG ARG 16 -7.230 9.678 9.131 105 HD2 ARG 16 1HD ARG 16 -4.673 10.433 7.741 106 HD3 ARG 16 2HD ARG 16 -5.342 11.617 8.846 107 HE ARG 16 HE ARG 16 -5.341 8.981 10.049 108 HH11 ARG 16 2HH2 ARG 16 -3.245 11.699 9.274 109 HH12 ARG 16 1HH2 ARG 16 -2.112 11.351 10.537 110 HH21 ARG 16 2HH1 ARG 16 -3.846 8.520 11.715 111 HH22 ARG 16 1HH1 ARG 16 -2.456 9.530 11.934 112 H PHE 17 H PHE 17 -9.132 8.450 5.805 113 HA PHE 17 HA PHE 17 -11.397 8.038 7.563 114 HB2 PHE 17 1HB PHE 17 -12.177 10.372 7.164 115 HB3 PHE 17 2HB PHE 17 -10.585 10.419 7.894 116 HD1 PHE 17 1HD PHE 17 -8.583 10.838 6.416 117 HD2 PHE 17 2HD PHE 17 -12.566 11.325 5.038 118 HE1 PHE 17 1HE PHE 17 -7.752 12.252 4.515 119 HE2 PHE 17 2HE PHE 17 -11.736 12.737 3.136 120 HZ PHE 17 HZ PHE 17 -9.339 13.184 2.898 121 H ASN 18 H ASN 18 -13.389 9.214 6.011 122 HA ASN 18 HA ASN 18 -13.781 7.325 4.088 123 HB2 ASN 18 1HB ASN 18 -14.918 10.166 4.005 124 HB3 ASN 18 2HB ASN 18 -15.661 8.724 3.344 125 HD21 ASN 18 1HD2 ASN 18 -15.588 10.819 5.894 126 HD22 ASN 18 2HD2 ASN 18 -16.349 9.868 7.127 127 H PHE 19 H PHE 19 -12.791 7.058 2.080 128 HA PHE 19 HA PHE 19 -11.793 9.485 0.765 129 HB2 PHE 19 1HB PHE 19 -9.916 8.155 1.666 130 HB3 PHE 19 2HB PHE 19 -10.638 6.660 1.103 131 HD1 PHE 19 2HD PHE 19 -10.674 6.158 -1.343 132 HD2 PHE 19 1HD PHE 19 -8.550 9.476 0.234 133 HE1 PHE 19 2HE PHE 19 -9.345 6.316 -3.466 134 HE2 PHE 19 1HE PHE 19 -7.220 9.634 -1.889 135 HZ PHE 19 HZ PHE 19 -7.634 8.052 -3.713 136 H LYS 20 H LYS 20 -12.746 9.835 -1.180 137 HA LYS 20 HA LYS 20 -14.125 7.576 -2.408 138 HB2 LYS 20 1HB LYS 20 -15.551 9.442 -2.054 139 HB3 LYS 20 2HB LYS 20 -14.373 10.575 -2.685 140 HG2 LYS 20 1HG LYS 20 -15.049 8.433 -4.613 141 HG3 LYS 20 2HG LYS 20 -16.441 9.389 -4.145 142 HD2 LYS 20 1HD LYS 20 -13.903 10.865 -4.826 143 HD3 LYS 20 2HD LYS 20 -14.799 10.143 -6.147 144 HE2 LYS 20 1HE LYS 20 -16.559 11.620 -5.947 145 HE3 LYS 20 2HE LYS 20 -16.482 11.644 -4.196 146 HZ1 LYS 20 1HZ LYS 20 -15.076 13.358 -4.228 147 HZ2 LYS 20 2HZ LYS 20 -14.234 12.833 -5.524 148 HZ3 LYS 20 3HZ LYS 20 -15.648 13.622 -5.735 149 H GLN 21 H GLN 21 -13.642 6.812 -4.470 150 HA GLN 21 HA GLN 21 -11.006 7.506 -5.346 151 HB2 GLN 21 1HB GLN 21 -11.191 5.567 -6.801 152 HB3 GLN 21 2HB GLN 21 -11.804 5.130 -5.219 153 HG2 GLN 21 1HG GLN 21 -14.152 5.836 -6.185 154 HG3 GLN 21 2HG GLN 21 -13.377 5.705 -7.752 155 HE21 GLN 21 1HE2 GLN 21 -11.804 3.643 -7.737 156 HE22 GLN 21 2HE2 GLN 21 -12.597 2.156 -7.338 157 H THR 22 H THR 22 -10.471 8.261 -7.502 158 HA THR 22 HA THR 22 -12.438 10.093 -8.523 159 HB THR 22 HB THR 22 -9.981 10.615 -8.275 160 HG1 THR 22 1HG THR 22 -9.899 11.302 -10.656 161 HG21 THR 22 1HG2 THR 22 -9.080 8.366 -8.998 162 HG22 THR 22 2HG2 THR 22 -9.710 8.678 -10.634 163 HG23 THR 22 3HG2 THR 22 -8.419 9.706 -9.966 164 H ASN 23 H ASN 23 -11.500 6.799 -9.138 165 HA ASN 23 HA ASN 23 -13.509 6.638 -11.112 166 HB2 ASN 23 1HB ASN 23 -10.624 6.767 -11.917 167 HB3 ASN 23 2HB ASN 23 -11.533 5.456 -12.642 168 HD21 ASN 23 1HD2 ASN 23 -10.385 8.066 -13.626 169 HD22 ASN 23 2HD2 ASN 23 -11.667 8.846 -14.490 170 H GLU 24 H GLU 24 -13.388 4.192 -12.065 171 HA GLU 24 HA GLU 24 -13.258 2.534 -9.799 172 HB2 GLU 24 1HB GLU 24 -13.773 0.711 -11.530 173 HB3 GLU 24 2HB GLU 24 -14.934 2.019 -11.413 174 HG2 GLU 24 1HG GLU 24 -14.368 2.909 -13.483 175 HG3 GLU 24 2HG GLU 24 -12.687 2.428 -13.357 176 H ASP 25 H ASP 25 -10.889 3.666 -12.003 177 HA ASP 25 HA ASP 25 -9.324 1.313 -12.072 178 HB2 ASP 25 1HB ASP 25 -9.285 3.974 -13.215 179 HB3 ASP 25 2HB ASP 25 -7.719 3.670 -12.490 180 H GLU 26 H GLU 26 -9.773 4.117 -9.952 181 HA GLU 26 HA GLU 26 -7.289 3.595 -8.581 182 HB2 GLU 26 1HB GLU 26 -8.527 5.936 -9.136 183 HB3 GLU 26 2HB GLU 26 -9.256 5.627 -7.572 184 HG2 GLU 26 1HG GLU 26 -7.269 5.917 -6.428 185 HG3 GLU 26 2HG GLU 26 -6.306 5.181 -7.693 186 H LEU 27 H LEU 27 -7.381 3.513 -6.085 187 HA LEU 27 HA LEU 27 -9.292 1.475 -5.388 188 HB2 LEU 27 1HB LEU 27 -6.696 1.838 -4.799 189 HB3 LEU 27 2HB LEU 27 -7.408 2.601 -3.392 190 HG LEU 27 HG LEU 27 -8.534 -0.049 -4.073 191 HD11 LEU 27 1HD1 LEU 27 -5.785 0.003 -2.840 192 HD12 LEU 27 2HD1 LEU 27 -6.710 -1.381 -3.468 193 HD13 LEU 27 3HD1 LEU 27 -6.025 -0.183 -4.594 194 HD21 LEU 27 1HD2 LEU 27 -7.403 0.681 -1.407 195 HD22 LEU 27 2HD2 LEU 27 -8.847 1.547 -1.984 196 HD23 LEU 27 3HD2 LEU 27 -8.877 -0.225 -1.823 197 H SER 28 H SER 28 -10.385 1.652 -3.144 198 HA SER 28 HA SER 28 -11.102 4.383 -2.549 199 HB2 SER 28 1HB SER 28 -12.952 4.084 -3.900 200 HB3 SER 28 2HB SER 28 -12.925 2.339 -3.744 201 HG SER 28 HG SER 28 -13.651 4.046 -1.532 202 H VAL 29 H VAL 29 -11.453 4.684 -0.333 203 HA VAL 29 HA VAL 29 -11.934 2.312 1.287 204 HB VAL 29 HB VAL 29 -10.137 3.150 2.866 205 HG11 VAL 29 1HG1 VAL 29 -9.706 1.112 1.778 206 HG12 VAL 29 2HG1 VAL 29 -9.537 1.890 0.187 207 HG13 VAL 29 3HG1 VAL 29 -8.274 2.106 1.422 208 HG21 VAL 29 1HG2 VAL 29 -9.710 4.974 0.562 209 HG22 VAL 29 2HG2 VAL 29 -9.366 5.205 2.294 210 HG23 VAL 29 3HG2 VAL 29 -8.246 4.261 1.281 211 H CYS 30 H CYS 30 -13.001 2.777 3.275 212 HA CYS 30 HA CYS 30 -14.118 5.474 3.301 213 HB2 CYS 30 1HB CYS 30 -15.393 3.017 3.369 214 HB3 CYS 30 2HB CYS 30 -15.377 3.482 5.059 215 HG CYS 30 HG CYS 30 -16.853 5.383 5.002 216 H LYS 31 H LYS 31 -13.682 2.924 5.850 217 HA LYS 31 HA LYS 31 -11.699 4.487 7.206 218 HB2 LYS 31 1HB LYS 31 -14.270 5.268 7.719 219 HB3 LYS 31 2HB LYS 31 -14.034 4.058 8.965 220 HG2 LYS 31 1HG LYS 31 -12.406 5.288 10.057 221 HG3 LYS 31 2HG LYS 31 -11.750 5.949 8.571 222 HD2 LYS 31 1HD LYS 31 -12.794 7.883 9.185 223 HD3 LYS 31 2HD LYS 31 -14.257 7.115 8.601 224 HE2 LYS 31 1HE LYS 31 -14.681 6.202 10.906 225 HE3 LYS 31 2HE LYS 31 -13.238 7.012 11.481 226 HZ1 LYS 31 1HZ LYS 31 -15.791 8.088 11.018 227 HZ2 LYS 31 2HZ LYS 31 -14.519 8.759 11.791 228 HZ3 LYS 31 3HZ LYS 31 -14.672 8.926 10.174 229 H GLY 32 H GLY 32 -10.608 3.258 8.822 230 HA2 GLY 32 1HA GLY 32 -9.724 1.325 9.571 231 HA3 GLY 32 2HA GLY 32 -11.377 0.921 9.993 232 H ASP 33 H ASP 33 -9.319 1.109 6.992 233 HA ASP 33 HA ASP 33 -10.257 -1.573 6.392 234 HB2 ASP 33 1HB ASP 33 -10.734 0.895 4.861 235 HB3 ASP 33 2HB ASP 33 -9.889 -0.298 3.894 236 H ILE 34 H ILE 34 -8.126 -2.348 7.034 237 HA ILE 34 HA ILE 34 -5.726 -1.189 6.345 238 HB ILE 34 HB ILE 34 -6.689 -3.732 7.378 239 HG12 ILE 34 1HG1 ILE 34 -5.742 -2.174 8.880 240 HG13 ILE 34 2HG1 ILE 34 -4.580 -3.478 8.739 241 HG21 ILE 34 1HG2 ILE 34 -5.648 -4.812 5.557 242 HG22 ILE 34 2HG2 ILE 34 -4.247 -3.715 5.600 243 HG23 ILE 34 3HG2 ILE 34 -4.486 -4.905 6.903 244 HD11 ILE 34 1HD1 ILE 34 -3.732 -1.830 6.702 245 HD12 ILE 34 2HD1 ILE 34 -4.360 -0.642 7.871 246 HD13 ILE 34 3HD1 ILE 34 -3.085 -1.786 8.361 247 H ILE 35 H ILE 35 -4.520 -1.029 4.509 248 HA ILE 35 HA ILE 35 -5.515 -2.549 2.200 249 HB ILE 35 HB ILE 35 -4.203 0.171 2.219 250 HG12 ILE 35 1HG1 ILE 35 -6.894 0.223 1.253 251 HG13 ILE 35 2HG1 ILE 35 -6.901 -0.562 2.820 252 HG21 ILE 35 1HG2 ILE 35 -5.571 -1.291 -0.054 253 HG22 ILE 35 2HG2 ILE 35 -4.711 0.267 -0.121 254 HG23 ILE 35 3HG2 ILE 35 -3.809 -1.235 0.195 255 HD11 ILE 35 1HD1 ILE 35 -7.030 1.664 3.484 256 HD12 ILE 35 2HD1 ILE 35 -5.262 1.454 3.474 257 HD13 ILE 35 3HD1 ILE 35 -6.072 2.242 2.100 258 H TYR 36 H TYR 36 -3.925 -3.382 0.713 259 HA TYR 36 HA TYR 36 -1.322 -3.746 2.024 260 HB2 TYR 36 1HB TYR 36 -2.927 -5.301 -0.098 261 HB3 TYR 36 2HB TYR 36 -1.340 -5.795 0.460 262 HD1 TYR 36 2HD TYR 36 -1.449 -5.498 3.349 263 HD2 TYR 36 1HD TYR 36 -4.490 -6.845 0.657 264 HE1 TYR 36 2HE TYR 36 -2.531 -6.830 5.225 265 HE2 TYR 36 1HE TYR 36 -5.561 -8.172 2.543 266 HH TYR 36 HH TYR 36 -4.101 -8.197 5.784 267 H VAL 37 H VAL 37 0.220 -2.414 1.204 268 HA VAL 37 HA VAL 37 -0.051 -1.429 -1.489 269 HB VAL 37 HB VAL 37 2.204 -1.024 0.480 270 HG11 VAL 37 1HG1 VAL 37 2.276 -0.350 -2.071 271 HG12 VAL 37 2HG1 VAL 37 1.267 1.009 -1.521 272 HG13 VAL 37 3HG1 VAL 37 2.883 0.759 -0.817 273 HG21 VAL 37 1HG2 VAL 37 -0.498 -0.328 0.869 274 HG22 VAL 37 2HG2 VAL 37 0.917 0.255 1.779 275 HG23 VAL 37 3HG2 VAL 37 0.322 1.173 0.375 276 H THR 38 H THR 38 0.724 -2.448 -3.259 277 HA THR 38 HA THR 38 2.793 -4.492 -2.815 278 HB THR 38 HB THR 38 0.779 -5.475 -3.711 279 HG1 THR 38 1HG THR 38 2.423 -4.638 -5.988 280 HG21 THR 38 1HG2 THR 38 -0.404 -3.428 -4.483 281 HG22 THR 38 2HG2 THR 38 0.827 -3.183 -5.746 282 HG23 THR 38 3HG2 THR 38 -0.261 -4.591 -5.823 283 H ARG 39 H ARG 39 1.803 -1.745 -4.929 284 HA ARG 39 HA ARG 39 4.132 -1.910 -6.465 285 HB2 ARG 39 1HB ARG 39 2.067 -0.784 -7.263 286 HB3 ARG 39 2HB ARG 39 2.200 0.416 -5.991 287 HG2 ARG 39 1HG ARG 39 3.675 1.654 -7.197 288 HG3 ARG 39 2HG ARG 39 4.705 0.266 -7.487 289 HD2 ARG 39 1HD ARG 39 2.128 0.756 -9.049 290 HD3 ARG 39 2HD ARG 39 3.685 1.364 -9.579 291 HE ARG 39 HE ARG 39 3.810 -1.477 -8.979 292 HH11 ARG 39 2HH2 ARG 39 2.816 0.843 -11.431 293 HH12 ARG 39 1HH2 ARG 39 2.982 -0.279 -12.741 294 HH21 ARG 39 2HH1 ARG 39 4.028 -2.957 -10.707 295 HH22 ARG 39 1HH1 ARG 39 3.676 -2.454 -12.326 296 H VAL 40 H VAL 40 3.102 0.853 -4.329 297 HA VAL 40 HA VAL 40 4.215 1.998 -2.778 298 HB VAL 40 HB VAL 40 6.545 0.114 -3.174 299 HG11 VAL 40 1HG1 VAL 40 7.557 1.238 -1.532 300 HG12 VAL 40 2HG1 VAL 40 6.265 2.456 -1.639 301 HG13 VAL 40 3HG1 VAL 40 6.123 1.108 -0.486 302 HG21 VAL 40 1HG2 VAL 40 4.600 -0.254 -0.932 303 HG22 VAL 40 2HG2 VAL 40 4.133 -0.830 -2.550 304 HG23 VAL 40 3HG2 VAL 40 5.615 -1.447 -1.779 305 H GLU 41 H GLU 41 4.017 3.601 -4.551 306 HA GLU 41 HA GLU 41 6.559 4.036 -5.894 307 HB2 GLU 41 1HB GLU 41 3.718 4.917 -6.499 308 HB3 GLU 41 2HB GLU 41 5.087 5.710 -7.255 309 HG2 GLU 41 1HG GLU 41 5.297 2.765 -7.367 310 HG3 GLU 41 2HG GLU 41 3.843 3.357 -8.146 311 H GLU 42 H GLU 42 7.516 6.195 -5.905 312 HA GLU 42 HA GLU 42 6.779 7.631 -3.493 313 HB2 GLU 42 1HB GLU 42 9.322 7.664 -5.175 314 HB3 GLU 42 2HB GLU 42 9.061 8.708 -3.792 315 HG2 GLU 42 1HG GLU 42 8.391 6.097 -2.885 316 HG3 GLU 42 2HG GLU 42 9.841 5.889 -3.850 317 H GLY 43 H GLY 43 6.014 7.675 -6.712 318 HA2 GLY 43 1HA GLY 43 6.477 10.285 -7.582 319 HA3 GLY 43 2HA GLY 43 5.189 9.222 -8.115 320 H GLY 44 H GLY 44 3.683 8.845 -5.762 321 HA2 GLY 44 1HA GLY 44 3.118 10.928 -4.122 322 HA3 GLY 44 2HA GLY 44 2.321 11.381 -5.616 323 H TRP 45 H TRP 45 1.824 8.544 -6.463 324 HA TRP 45 HA TRP 45 -0.451 8.077 -4.681 325 HB2 TRP 45 1HB TRP 45 0.085 7.185 -7.519 326 HB3 TRP 45 2HB TRP 45 -1.316 6.722 -6.574 327 HD1 TRP 45 HD TRP 45 0.269 9.963 -8.046 328 HE1 TRP 45 1HE TRP 45 -1.589 11.775 -8.523 329 HE3 TRP 45 3HE TRP 45 -3.573 7.316 -6.026 330 HZ2 TRP 45 2HZ TRP 45 -4.394 11.895 -8.013 331 HZ3 TRP 45 3HZ TRP 45 -5.841 8.352 -6.055 332 HH2 TRP 45 HH TRP 45 -6.282 10.560 -7.005 333 H TRP 46 H TRP 46 -0.973 5.704 -4.272 334 HA TRP 46 HA TRP 46 1.432 4.035 -4.311 335 HB2 TRP 46 1HB TRP 46 0.219 5.221 -1.972 336 HB3 TRP 46 2HB TRP 46 0.112 3.473 -1.896 337 HD1 TRP 46 HD TRP 46 3.180 5.045 -3.601 338 HE1 TRP 46 1HE TRP 46 5.380 4.618 -2.206 339 HE3 TRP 46 3HE TRP 46 0.846 3.088 0.471 340 HZ2 TRP 46 2HZ TRP 46 5.884 3.535 0.385 341 HZ3 TRP 46 3HZ TRP 46 2.265 2.369 2.389 342 HH2 TRP 46 HH TRP 46 4.702 2.567 2.392 343 H GLU 47 H GLU 47 0.926 2.092 -5.237 344 HA GLU 47 HA GLU 47 -1.894 1.502 -5.508 345 HB2 GLU 47 1HB GLU 47 -0.963 1.293 -7.620 346 HB3 GLU 47 2HB GLU 47 0.600 0.787 -7.010 347 HG2 GLU 47 1HG GLU 47 -0.270 -1.452 -6.476 348 HG3 GLU 47 2HG GLU 47 -1.900 -0.963 -6.895 349 H GLY 48 H GLY 48 -2.876 -0.017 -4.239 350 HA2 GLY 48 1HA GLY 48 -1.226 -2.192 -3.146 351 HA3 GLY 48 2HA GLY 48 -2.146 -1.179 -2.051 352 H THR 49 H THR 49 -3.392 -3.081 -1.405 353 HA THR 49 HA THR 49 -5.628 -3.525 -3.219 354 HB THR 49 HB THR 49 -3.558 -5.555 -2.382 355 HG1 THR 49 1HG THR 49 -3.934 -4.657 -4.588 356 HG21 THR 49 1HG2 THR 49 -5.351 -6.745 -1.391 357 HG22 THR 49 2HG2 THR 49 -6.561 -5.994 -2.458 358 HG23 THR 49 3HG2 THR 49 -5.478 -7.256 -3.091 359 H LEU 50 H LEU 50 -7.557 -3.613 -2.194 360 HA LEU 50 HA LEU 50 -7.402 -3.650 0.739 361 HB2 LEU 50 1HB LEU 50 -8.085 -1.507 -0.089 362 HB3 LEU 50 2HB LEU 50 -9.293 -2.228 -1.134 363 HG LEU 50 HG LEU 50 -10.542 -3.002 0.867 364 HD11 LEU 50 1HD1 LEU 50 -8.765 -1.251 2.555 365 HD12 LEU 50 2HD1 LEU 50 -9.957 -2.471 3.063 366 HD13 LEU 50 3HD1 LEU 50 -8.420 -2.982 2.325 367 HD21 LEU 50 1HD2 LEU 50 -10.999 -0.514 1.697 368 HD22 LEU 50 2HD2 LEU 50 -10.035 -0.131 0.250 369 HD23 LEU 50 3HD2 LEU 50 -11.522 -1.098 0.100 370 H ASN 51 H ASN 51 -9.542 -4.470 1.762 371 HA ASN 51 HA ASN 51 -9.816 -7.075 1.275 372 HB2 ASN 51 1HB ASN 51 -11.813 -5.021 2.317 373 HB3 ASN 51 2HB ASN 51 -12.257 -6.714 2.232 374 HD21 ASN 51 1HD2 ASN 51 -11.079 -4.386 4.182 375 HD22 ASN 51 2HD2 ASN 51 -10.185 -5.315 5.339 376 H GLY 52 H GLY 52 -9.982 -7.666 -0.971 377 HA2 GLY 52 1HA GLY 52 -11.069 -8.196 -2.868 378 HA3 GLY 52 2HA GLY 52 -12.573 -7.741 -2.092 379 H ARG 53 H ARG 53 -9.811 -5.490 -2.381 380 HA ARG 53 HA ARG 53 -11.220 -4.168 -4.544 381 HB2 ARG 53 1HB ARG 53 -10.887 -3.185 -1.806 382 HB3 ARG 53 2HB ARG 53 -10.084 -2.106 -2.929 383 HG2 ARG 53 1HG ARG 53 -12.814 -3.045 -3.736 384 HG3 ARG 53 2HG ARG 53 -12.752 -1.966 -2.358 385 HD2 ARG 53 1HD ARG 53 -11.351 -0.361 -3.746 386 HD3 ARG 53 2HD ARG 53 -11.577 -1.417 -5.127 387 HE ARG 53 HE ARG 53 -13.725 -0.546 -5.379 388 HH11 ARG 53 2HH2 ARG 53 -12.686 -0.020 -2.059 389 HH12 ARG 53 1HH2 ARG 53 -14.091 0.897 -1.630 390 HH21 ARG 53 2HH1 ARG 53 -15.579 0.664 -4.814 391 HH22 ARG 53 1HH1 ARG 53 -15.748 1.289 -3.207 392 H THR 54 H THR 54 -9.710 -2.305 -5.473 393 HA THR 54 HA THR 54 -6.905 -2.625 -5.003 394 HB THR 54 HB THR 54 -7.697 -4.647 -6.478 395 HG1 THR 54 1HG THR 54 -5.645 -4.375 -7.529 396 HG21 THR 54 1HG2 THR 54 -7.712 -4.098 -8.913 397 HG22 THR 54 2HG2 THR 54 -9.094 -3.335 -8.092 398 HG23 THR 54 3HG2 THR 54 -7.666 -2.362 -8.521 399 H GLY 55 H GLY 55 -5.638 -1.264 -6.693 400 HA2 GLY 55 1HA GLY 55 -6.117 0.529 -8.375 401 HA3 GLY 55 2HA GLY 55 -7.262 1.155 -7.206 402 H TRP 56 H TRP 56 -5.681 3.092 -7.623 403 HA TRP 56 HA TRP 56 -3.307 2.835 -5.928 404 HB2 TRP 56 1HB TRP 56 -4.098 4.872 -8.015 405 HB3 TRP 56 2HB TRP 56 -2.700 5.037 -6.969 406 HD1 TRP 56 HD TRP 56 -3.998 2.261 -9.419 407 HE1 TRP 56 1HE TRP 56 -1.988 1.232 -10.785 408 HE3 TRP 56 3HE TRP 56 -0.374 5.045 -7.191 409 HZ2 TRP 56 2HZ TRP 56 0.829 1.688 -10.779 410 HZ3 TRP 56 3HZ TRP 56 1.980 4.691 -7.929 411 HH2 TRP 56 HH TRP 56 2.607 3.082 -9.658 412 H PHE 57 H PHE 57 -2.907 4.605 -4.342 413 HA PHE 57 HA PHE 57 -5.051 6.367 -3.707 414 HB2 PHE 57 1HB PHE 57 -5.630 5.304 -1.566 415 HB3 PHE 57 2HB PHE 57 -5.761 4.065 -2.799 416 HD1 PHE 57 1HD PHE 57 -3.835 5.241 0.077 417 HD2 PHE 57 2HD PHE 57 -4.159 2.238 -2.904 418 HE1 PHE 57 1HE PHE 57 -2.243 3.790 1.365 419 HE2 PHE 57 2HE PHE 57 -2.568 0.787 -1.616 420 HZ PHE 57 HZ PHE 57 -1.629 1.581 0.505 421 HA PRO 58 HA PRO 58 -1.775 8.353 -1.687 422 HB2 PRO 58 1HB PRO 58 -3.026 9.851 0.226 423 HB3 PRO 58 2HB PRO 58 -2.964 10.312 -1.463 424 HG2 PRO 58 1HG PRO 58 -5.233 9.203 0.073 425 HG3 PRO 58 2HG PRO 58 -5.256 10.053 -1.459 426 HD2 PRO 58 1HD PRO 58 -5.537 7.226 -1.059 427 HD3 PRO 58 2HD PRO 58 -5.444 8.064 -2.596 428 H SER 59 H SER 59 -0.127 7.712 -0.450 429 HA SER 59 HA SER 59 -0.857 5.870 1.616 430 HB2 SER 59 1HB SER 59 1.591 5.497 1.805 431 HB3 SER 59 2HB SER 59 1.037 5.337 0.149 432 HG SER 59 HG SER 59 2.692 7.319 1.325 433 H ASN 60 H ASN 60 0.409 9.190 1.225 434 HA ASN 60 HA ASN 60 1.347 9.567 3.778 435 HB2 ASN 60 1HB ASN 60 1.533 11.120 1.714 436 HB3 ASN 60 2HB ASN 60 -0.085 11.680 2.091 437 HD21 ASN 60 1HD2 ASN 60 -0.493 12.752 4.059 438 HD22 ASN 60 2HD2 ASN 60 0.756 13.576 4.931 439 H TYR 61 H TYR 61 -1.936 9.829 2.313 440 HA TYR 61 HA TYR 61 -3.207 11.066 4.484 441 HB2 TYR 61 1HB TYR 61 -3.932 9.242 2.133 442 HB3 TYR 61 2HB TYR 61 -5.186 9.703 3.267 443 HD1 TYR 61 1HD TYR 61 -2.410 11.446 1.419 444 HD2 TYR 61 2HD TYR 61 -6.531 11.450 2.571 445 HE1 TYR 61 1HE TYR 61 -2.772 13.617 0.145 446 HE2 TYR 61 2HE TYR 61 -6.878 13.620 1.292 447 HH TYR 61 HH TYR 61 -4.581 14.807 -0.902 448 H VAL 62 H VAL 62 -3.206 7.570 3.463 449 HA VAL 62 HA VAL 62 -4.496 6.738 5.828 450 HB VAL 62 HB VAL 62 -4.078 4.525 5.022 451 HG11 VAL 62 1HG1 VAL 62 -4.413 5.870 2.392 452 HG12 VAL 62 2HG1 VAL 62 -5.432 4.656 3.204 453 HG13 VAL 62 3HG1 VAL 62 -5.532 6.367 3.684 454 HG21 VAL 62 1HG2 VAL 62 -2.447 5.300 2.677 455 HG22 VAL 62 2HG2 VAL 62 -1.616 5.397 4.248 456 HG23 VAL 62 3HG2 VAL 62 -2.351 3.863 3.723 457 H ARG 63 H ARG 63 -3.506 5.199 7.448 458 HA ARG 63 HA ARG 63 -0.935 6.295 8.186 459 HB2 ARG 63 1HB ARG 63 -3.316 5.504 9.631 460 HB3 ARG 63 2HB ARG 63 -1.990 4.511 10.201 461 HG2 ARG 63 1HG ARG 63 -1.103 7.278 9.901 462 HG3 ARG 63 2HG ARG 63 -2.544 7.217 10.895 463 HD2 ARG 63 1HD ARG 63 -0.198 5.335 11.386 464 HD3 ARG 63 2HD ARG 63 -0.244 6.940 12.088 465 HE ARG 63 HE ARG 63 -2.681 5.348 12.539 466 HH11 ARG 63 2HH2 ARG 63 0.484 6.261 13.778 467 HH12 ARG 63 1HH2 ARG 63 0.102 5.849 15.417 468 HH21 ARG 63 2HH1 ARG 63 -3.184 4.805 14.700 469 HH22 ARG 63 1HH1 ARG 63 -1.998 5.015 15.944 470 H GLU 64 H GLU 64 0.768 4.787 9.048 471 HA GLU 64 HA GLU 64 0.646 2.289 7.575 472 HB2 GLU 64 1HB GLU 64 2.581 3.547 6.975 473 HB3 GLU 64 2HB GLU 64 2.925 3.988 8.634 474 HG2 GLU 64 1HG GLU 64 4.201 2.135 8.922 475 HG3 GLU 64 2HG GLU 64 2.874 1.096 8.444 476 H ILE 65 H ILE 65 0.884 0.269 8.590 477 HA ILE 65 HA ILE 65 0.711 0.383 11.511 478 HB ILE 65 HB ILE 65 -0.112 -1.776 9.566 479 HG12 ILE 65 1HG1 ILE 65 -1.529 0.207 9.399 480 HG13 ILE 65 2HG1 ILE 65 -2.400 -1.139 10.108 481 HG21 ILE 65 1HG2 ILE 65 0.524 -2.833 11.600 482 HG22 ILE 65 2HG2 ILE 65 -0.305 -1.599 12.580 483 HG23 ILE 65 3HG2 ILE 65 -1.254 -2.736 11.593 484 HD11 ILE 65 1HD1 ILE 65 -2.954 0.740 11.472 485 HD12 ILE 65 2HD1 ILE 65 -1.740 -0.160 12.414 486 HD13 ILE 65 3HD1 ILE 65 -1.267 1.305 11.519 487 H LYS 66 H LYS 66 2.505 -0.963 8.727 488 HA LYS 66 HA LYS 66 4.185 -2.540 10.456 489 HB2 LYS 66 1HB LYS 66 3.706 -3.523 8.363 490 HB3 LYS 66 2HB LYS 66 4.049 -2.049 7.482 491 HG2 LYS 66 1HG LYS 66 6.225 -2.644 7.267 492 HG3 LYS 66 2HG LYS 66 6.403 -2.717 9.009 493 HD2 LYS 66 1HD LYS 66 5.043 -5.016 7.587 494 HD3 LYS 66 2HD LYS 66 6.789 -4.888 7.505 495 HE2 LYS 66 1HE LYS 66 7.076 -5.352 9.761 496 HE3 LYS 66 2HE LYS 66 5.594 -4.545 10.231 497 HZ1 LYS 66 1HZ LYS 66 5.336 -6.943 8.636 498 HZ2 LYS 66 2HZ LYS 66 5.803 -7.132 10.190 499 HZ3 LYS 66 3HZ LYS 66 4.388 -6.392 9.845 500 H SER 67 H SER 67 5.625 -1.518 11.746 501 HA SER 67 HA SER 67 6.579 1.050 11.035 502 HB2 SER 67 1HB SER 67 7.584 1.080 13.179 503 HB3 SER 67 2HB SER 67 6.140 0.112 13.403 504 HG SER 67 HG SER 67 7.618 -1.208 14.306 505 H SER 68 H SER 68 7.550 -2.259 10.470 506 HA SER 68 HA SER 68 10.312 -1.740 10.233 507 HB2 SER 68 1HB SER 68 9.351 -3.997 10.711 508 HB3 SER 68 2HB SER 68 8.631 -4.028 9.113 509 HG SER 68 HG SER 68 11.376 -4.256 9.872 510 H GLU 69 H GLU 69 7.614 -0.851 8.365 511 HA GLU 69 HA GLU 69 9.115 -0.969 5.886 512 HB2 GLU 69 1HB GLU 69 6.212 -0.784 6.608 513 HB3 GLU 69 2HB GLU 69 6.702 0.032 5.136 514 HG2 GLU 69 1HG GLU 69 7.740 -2.760 5.551 515 HG3 GLU 69 2HG GLU 69 6.032 -2.594 5.195 516 H ARG 70 H ARG 70 7.154 1.353 7.883 517 HA ARG 70 HA ARG 70 7.737 3.578 6.423 518 HB2 ARG 70 1HB ARG 70 6.856 4.809 8.255 519 HB3 ARG 70 2HB ARG 70 6.116 3.232 8.446 520 HG2 ARG 70 1HG ARG 70 7.837 2.589 10.112 521 HG3 ARG 70 2HG ARG 70 8.669 4.113 9.876 522 HD2 ARG 70 1HD ARG 70 6.505 5.294 10.600 523 HD3 ARG 70 2HD ARG 70 5.872 3.719 11.037 524 HE ARG 70 HE ARG 70 7.185 3.780 12.962 525 HH11 ARG 70 2HH2 ARG 70 8.582 5.964 10.584 526 HH12 ARG 70 1HH2 ARG 70 9.803 6.560 11.660 527 HH21 ARG 70 2HH1 ARG 70 8.794 4.565 14.382 528 HH22 ARG 70 1HH1 ARG 70 9.923 5.759 13.835 529 H SER 71 H SER 71 9.571 1.960 9.063 530 HA SER 71 HA SER 71 11.450 4.025 9.333 531 HB2 SER 71 1HB SER 71 10.862 2.107 10.978 532 HB3 SER 71 2HB SER 71 11.916 1.097 10.009 533 HG SER 71 HG SER 71 12.645 3.529 11.404 534 H GLY 72 H GLY 72 10.817 1.936 6.770 535 HA2 GLY 72 1HA GLY 72 12.404 2.458 4.889 536 HA3 GLY 72 2HA GLY 72 13.654 1.827 5.943 537 HA PRO 73 HA PRO 73 11.023 -1.593 3.966 538 HB2 PRO 73 1HB PRO 73 11.175 -1.411 1.244 539 HB3 PRO 73 2HB PRO 73 9.790 -0.859 2.165 540 HG2 PRO 73 1HG PRO 73 11.918 0.740 0.880 541 HG3 PRO 73 2HG PRO 73 10.334 1.257 1.425 542 HD2 PRO 73 1HD PRO 73 12.839 1.725 2.741 543 HD3 PRO 73 2HD PRO 73 11.246 2.139 3.342 544 H SER 74 H SER 74 11.798 -3.650 3.431 545 HA SER 74 HA SER 74 13.332 -5.133 3.010 546 HB2 SER 74 1HB SER 74 13.780 -3.638 0.945 547 HB3 SER 74 2HB SER 74 15.152 -3.000 1.830 548 HG SER 74 HG SER 74 15.748 -5.401 2.096 549 H SER 75 H SER 75 15.106 -2.046 3.796 550 HA SER 75 HA SER 75 17.157 -3.111 5.168 551 HB2 SER 75 1HB SER 75 15.927 -0.531 4.883 552 HB3 SER 75 2HB SER 75 16.273 -0.752 6.588 553 HG SER 75 HG SER 75 18.110 0.160 5.575 554 H GLY 76 H GLY 76 13.977 -2.021 6.572 555 HA2 GLY 76 1HA GLY 76 14.545 -2.994 9.180 556 HA3 GLY 76 2HA GLY 76 12.992 -2.484 8.547 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -1.275 -21.629 -2.003 2 HA2 GLY 1 1HA GLY 1 -1.967 -22.318 -4.533 3 HA3 GLY 1 2HA GLY 1 -3.251 -21.224 -4.062 4 H SER 2 H SER 2 -0.779 -21.069 -5.969 5 HA SER 2 HA SER 2 0.176 -18.534 -4.885 6 HB2 SER 2 1HB SER 2 1.651 -20.860 -5.960 7 HB3 SER 2 2HB SER 2 2.122 -19.348 -6.711 8 HG SER 2 HG SER 2 2.549 -18.465 -4.599 9 H SER 3 H SER 3 -0.520 -16.820 -6.105 10 HA SER 3 HA SER 3 -0.267 -16.830 -8.882 11 HB2 SER 3 1HB SER 3 -2.535 -18.179 -8.189 12 HB3 SER 3 2HB SER 3 -3.172 -16.547 -8.217 13 HG SER 3 HG SER 3 -1.532 -17.297 -10.411 14 H GLY 4 H GLY 4 0.829 -14.854 -8.386 15 HA2 GLY 4 1HA GLY 4 -0.810 -12.538 -8.291 16 HA3 GLY 4 2HA GLY 4 -0.078 -12.832 -6.726 17 H SER 5 H SER 5 1.284 -10.964 -6.848 18 HA SER 5 HA SER 5 3.053 -10.752 -9.080 19 HB2 SER 5 1HB SER 5 1.988 -8.973 -7.186 20 HB3 SER 5 2HB SER 5 3.681 -9.075 -6.743 21 HG SER 5 HG SER 5 2.532 -8.249 -9.252 22 H SER 6 H SER 6 5.419 -10.848 -8.917 23 HA SER 6 HA SER 6 6.257 -12.473 -6.644 24 HB2 SER 6 1HB SER 6 6.250 -13.290 -9.243 25 HB3 SER 6 2HB SER 6 7.835 -12.545 -9.189 26 HG SER 6 HG SER 6 7.571 -14.933 -8.559 27 H GLY 7 H GLY 7 8.110 -11.811 -5.510 28 HA2 GLY 7 1HA GLY 7 9.909 -10.564 -4.955 29 HA3 GLY 7 2HA GLY 7 10.001 -9.975 -6.603 30 H SER 8 H SER 8 8.093 -9.619 -3.544 31 HA SER 8 HA SER 8 8.339 -6.868 -3.557 32 HB2 SER 8 1HB SER 8 5.962 -6.218 -4.028 33 HB3 SER 8 2HB SER 8 6.802 -6.824 -5.442 34 HG SER 8 HG SER 8 4.487 -7.682 -4.565 35 H HIS 9 H HIS 9 7.268 -5.910 -1.643 36 HA HIS 9 HA HIS 9 6.326 -8.000 0.181 37 HB2 HIS 9 1HB HIS 9 8.163 -5.669 0.550 38 HB3 HIS 9 2HB HIS 9 7.134 -6.125 1.893 39 HD1 HIS 9 1HD HIS 9 10.042 -6.463 2.419 40 HD2 HIS 9 2HD HIS 9 7.778 -9.464 0.559 41 HE1 HIS 9 1HE HIS 9 11.316 -8.645 2.776 42 H GLN 10 H GLN 10 4.369 -7.708 1.227 43 HA GLN 10 HA GLN 10 2.765 -5.592 0.175 44 HB2 GLN 10 1HB GLN 10 0.908 -6.737 1.289 45 HB3 GLN 10 2HB GLN 10 1.885 -7.907 0.425 46 HG2 GLN 10 1HG GLN 10 3.138 -8.326 2.634 47 HG3 GLN 10 2HG GLN 10 1.915 -7.349 3.424 48 HE21 GLN 10 1HE2 GLN 10 2.730 -10.304 3.339 49 HE22 GLN 10 2HE2 GLN 10 1.239 -11.169 3.165 50 H LEU 11 H LEU 11 2.167 -3.707 1.212 51 HA LEU 11 HA LEU 11 3.227 -3.379 3.924 52 HB2 LEU 11 1HB LEU 11 3.605 -1.877 1.651 53 HB3 LEU 11 2HB LEU 11 2.334 -0.994 2.474 54 HG LEU 11 HG LEU 11 5.014 -1.738 3.679 55 HD11 LEU 11 1HD1 LEU 11 5.642 -0.078 2.248 56 HD12 LEU 11 2HD1 LEU 11 4.030 0.677 2.230 57 HD13 LEU 11 3HD1 LEU 11 5.109 0.915 3.626 58 HD21 LEU 11 1HD2 LEU 11 2.621 -0.280 4.789 59 HD22 LEU 11 2HD2 LEU 11 3.532 -1.640 5.485 60 HD23 LEU 11 3HD2 LEU 11 4.262 -0.018 5.426 61 H ILE 12 H ILE 12 1.826 -3.369 5.595 62 HA ILE 12 HA ILE 12 -1.004 -3.217 4.950 63 HB ILE 12 HB ILE 12 0.566 -4.104 7.359 64 HG12 ILE 12 1HG1 ILE 12 -1.353 -6.000 6.474 65 HG13 ILE 12 2HG1 ILE 12 -0.542 -5.401 5.040 66 HG21 ILE 12 1HG2 ILE 12 -1.586 -4.628 8.443 67 HG22 ILE 12 2HG2 ILE 12 -1.342 -2.879 8.216 68 HG23 ILE 12 3HG2 ILE 12 -2.438 -3.773 7.135 69 HD11 ILE 12 1HD1 ILE 12 0.619 -7.371 6.100 70 HD12 ILE 12 2HD1 ILE 12 1.656 -5.930 5.979 71 HD13 ILE 12 3HD1 ILE 12 0.921 -6.368 7.540 72 H VAL 13 H VAL 13 -1.743 -1.156 4.729 73 HA VAL 13 HA VAL 13 -1.014 0.693 6.895 74 HB VAL 13 HB VAL 13 -1.093 2.504 5.289 75 HG11 VAL 13 1HG1 VAL 13 0.927 0.625 5.531 76 HG12 VAL 13 2HG1 VAL 13 0.741 0.798 3.768 77 HG13 VAL 13 3HG1 VAL 13 1.073 2.230 4.772 78 HG21 VAL 13 1HG2 VAL 13 -1.745 0.323 3.290 79 HG22 VAL 13 2HG2 VAL 13 -2.688 1.782 3.679 80 HG23 VAL 13 3HG2 VAL 13 -1.141 1.929 2.813 81 H LYS 14 H LYS 14 -2.704 1.921 7.780 82 HA LYS 14 HA LYS 14 -5.350 0.940 7.031 83 HB2 LYS 14 1HB LYS 14 -4.470 0.766 9.404 84 HB3 LYS 14 2HB LYS 14 -4.564 2.513 9.496 85 HG2 LYS 14 1HG LYS 14 -6.657 1.854 10.357 86 HG3 LYS 14 2HG LYS 14 -7.040 2.223 8.687 87 HD2 LYS 14 1HD LYS 14 -8.032 0.137 8.798 88 HD3 LYS 14 2HD LYS 14 -6.419 -0.378 8.343 89 HE2 LYS 14 1HE LYS 14 -5.838 -0.896 10.648 90 HE3 LYS 14 2HE LYS 14 -7.282 -0.110 11.258 91 HZ1 LYS 14 1HZ LYS 14 -8.418 -1.951 10.922 92 HZ2 LYS 14 2HZ LYS 14 -7.943 -2.084 9.366 93 HZ3 LYS 14 3HZ LYS 14 -7.029 -2.728 10.556 94 H ALA 15 H ALA 15 -7.115 2.414 6.663 95 HA ALA 15 HA ALA 15 -6.317 4.680 5.161 96 HB1 ALA 15 1HB ALA 15 -8.396 3.051 4.995 97 HB2 ALA 15 2HB ALA 15 -9.135 4.221 6.113 98 HB3 ALA 15 3HB ALA 15 -8.549 4.760 4.521 99 H ARG 16 H ARG 16 -6.772 6.927 5.597 100 HA ARG 16 HA ARG 16 -6.624 7.444 8.427 101 HB2 ARG 16 1HB ARG 16 -4.933 8.578 7.118 102 HB3 ARG 16 2HB ARG 16 -6.106 9.131 5.940 103 HG2 ARG 16 1HG ARG 16 -7.206 10.508 7.778 104 HG3 ARG 16 2HG ARG 16 -5.897 10.043 8.847 105 HD2 ARG 16 1HD ARG 16 -4.656 10.973 6.442 106 HD3 ARG 16 2HD ARG 16 -5.931 12.120 6.803 107 HE ARG 16 HE ARG 16 -3.478 11.763 8.295 108 HH11 ARG 16 2HH2 ARG 16 -6.879 12.576 8.692 109 HH12 ARG 16 1HH2 ARG 16 -6.621 13.499 10.135 110 HH21 ARG 16 2HH1 ARG 16 -3.138 12.980 10.199 111 HH22 ARG 16 1HH1 ARG 16 -4.479 13.730 10.997 112 H PHE 17 H PHE 17 -8.531 8.335 5.483 113 HA PHE 17 HA PHE 17 -10.804 8.863 7.198 114 HB2 PHE 17 1HB PHE 17 -11.071 11.120 6.380 115 HB3 PHE 17 2HB PHE 17 -9.356 11.005 6.720 116 HD1 PHE 17 1HD PHE 17 -11.885 11.182 4.080 117 HD2 PHE 17 2HD PHE 17 -7.731 10.966 4.920 118 HE1 PHE 17 1HE PHE 17 -11.373 11.848 1.715 119 HE2 PHE 17 2HE PHE 17 -7.219 11.632 2.554 120 HZ PHE 17 HZ PHE 17 -9.045 12.065 0.980 121 H ASN 18 H ASN 18 -12.727 9.625 5.550 122 HA ASN 18 HA ASN 18 -13.080 7.394 3.914 123 HB2 ASN 18 1HB ASN 18 -14.633 10.028 3.782 124 HB3 ASN 18 2HB ASN 18 -15.217 8.445 3.311 125 HD21 ASN 18 1HD2 ASN 18 -15.470 10.706 5.587 126 HD22 ASN 18 2HD2 ASN 18 -15.845 9.772 6.998 127 H PHE 19 H PHE 19 -11.900 7.160 1.997 128 HA PHE 19 HA PHE 19 -11.255 9.570 0.494 129 HB2 PHE 19 1HB PHE 19 -9.491 7.867 1.076 130 HB3 PHE 19 2HB PHE 19 -10.448 6.604 0.327 131 HD1 PHE 19 2HD PHE 19 -9.119 9.966 -0.643 132 HD2 PHE 19 1HD PHE 19 -9.712 5.908 -1.732 133 HE1 PHE 19 2HE PHE 19 -7.958 10.383 -2.830 134 HE2 PHE 19 1HE PHE 19 -8.550 6.324 -3.917 135 HZ PHE 19 HZ PHE 19 -7.687 8.557 -4.440 136 H LYS 20 H LYS 20 -11.708 9.757 -1.785 137 HA LYS 20 HA LYS 20 -13.885 7.980 -2.646 138 HB2 LYS 20 1HB LYS 20 -14.628 10.284 -2.101 139 HB3 LYS 20 2HB LYS 20 -13.513 10.920 -3.294 140 HG2 LYS 20 1HG LYS 20 -15.320 10.739 -4.700 141 HG3 LYS 20 2HG LYS 20 -14.794 9.073 -4.841 142 HD2 LYS 20 1HD LYS 20 -16.997 8.685 -4.245 143 HD3 LYS 20 2HD LYS 20 -16.307 8.771 -2.638 144 HE2 LYS 20 1HE LYS 20 -16.844 11.468 -3.329 145 HE3 LYS 20 2HE LYS 20 -18.229 10.575 -3.924 146 HZ1 LYS 20 1HZ LYS 20 -18.185 9.481 -1.653 147 HZ2 LYS 20 2HZ LYS 20 -17.213 10.708 -1.188 148 HZ3 LYS 20 3HZ LYS 20 -18.721 11.021 -1.735 149 H GLN 21 H GLN 21 -13.468 6.766 -4.413 150 HA GLN 21 HA GLN 21 -10.964 7.162 -5.709 151 HB2 GLN 21 1HB GLN 21 -11.466 5.074 -6.863 152 HB3 GLN 21 2HB GLN 21 -11.879 4.897 -5.168 153 HG2 GLN 21 1HG GLN 21 -14.291 5.583 -5.840 154 HG3 GLN 21 2HG GLN 21 -13.783 5.352 -7.501 155 HE21 GLN 21 1HE2 GLN 21 -12.121 3.224 -7.389 156 HE22 GLN 21 2HE2 GLN 21 -12.953 1.792 -6.883 157 H THR 22 H THR 22 -10.639 7.591 -7.989 158 HA THR 22 HA THR 22 -12.759 9.267 -9.083 159 HB THR 22 HB THR 22 -10.982 10.229 -10.381 160 HG1 THR 22 1HG THR 22 -9.491 7.843 -9.544 161 HG21 THR 22 1HG2 THR 22 -9.169 9.287 -8.183 162 HG22 THR 22 2HG2 THR 22 -9.479 10.942 -8.759 163 HG23 THR 22 3HG2 THR 22 -10.637 10.149 -7.663 164 H ASN 23 H ASN 23 -11.412 6.065 -9.418 165 HA ASN 23 HA ASN 23 -13.313 5.608 -11.513 166 HB2 ASN 23 1HB ASN 23 -10.304 5.337 -11.879 167 HB3 ASN 23 2HB ASN 23 -11.382 4.276 -12.764 168 HD21 ASN 23 1HD2 ASN 23 -9.557 6.644 -13.405 169 HD22 ASN 23 2HD2 ASN 23 -10.505 7.677 -14.422 170 H GLU 24 H GLU 24 -13.045 3.036 -12.112 171 HA GLU 24 HA GLU 24 -13.298 1.719 -9.635 172 HB2 GLU 24 1HB GLU 24 -13.693 -0.306 -11.067 173 HB3 GLU 24 2HB GLU 24 -14.700 1.059 -11.506 174 HG2 GLU 24 1HG GLU 24 -13.936 0.794 -13.629 175 HG3 GLU 24 2HG GLU 24 -12.413 1.457 -13.069 176 H ASP 25 H ASP 25 -10.659 2.348 -11.838 177 HA ASP 25 HA ASP 25 -9.144 0.085 -11.005 178 HB2 ASP 25 1HB ASP 25 -9.061 1.566 -13.237 179 HB3 ASP 25 2HB ASP 25 -7.933 2.532 -12.306 180 H GLU 26 H GLU 26 -10.141 2.812 -9.423 181 HA GLU 26 HA GLU 26 -7.555 3.335 -8.202 182 HB2 GLU 26 1HB GLU 26 -8.564 5.371 -8.938 183 HB3 GLU 26 2HB GLU 26 -10.145 4.911 -8.338 184 HG2 GLU 26 1HG GLU 26 -9.630 5.447 -6.131 185 HG3 GLU 26 2HG GLU 26 -7.934 5.046 -6.310 186 H LEU 27 H LEU 27 -7.310 3.263 -5.877 187 HA LEU 27 HA LEU 27 -8.943 1.239 -4.684 188 HB2 LEU 27 1HB LEU 27 -6.348 1.902 -4.479 189 HB3 LEU 27 2HB LEU 27 -6.968 2.775 -3.091 190 HG LEU 27 HG LEU 27 -6.175 0.618 -2.386 191 HD11 LEU 27 1HD1 LEU 27 -7.838 0.940 -0.916 192 HD12 LEU 27 2HD1 LEU 27 -9.029 1.317 -2.185 193 HD13 LEU 27 3HD1 LEU 27 -8.644 -0.378 -1.800 194 HD21 LEU 27 1HD2 LEU 27 -7.353 -1.475 -3.225 195 HD22 LEU 27 2HD2 LEU 27 -7.959 -0.473 -4.566 196 HD23 LEU 27 3HD2 LEU 27 -6.206 -0.696 -4.342 197 H SER 28 H SER 28 -10.859 1.598 -3.717 198 HA SER 28 HA SER 28 -11.370 4.313 -2.831 199 HB2 SER 28 1HB SER 28 -13.465 3.990 -3.613 200 HB3 SER 28 2HB SER 28 -12.912 2.467 -4.279 201 HG SER 28 HG SER 28 -13.553 1.398 -2.325 202 H VAL 29 H VAL 29 -10.659 4.568 -0.722 203 HA VAL 29 HA VAL 29 -11.309 2.402 1.149 204 HB VAL 29 HB VAL 29 -8.903 3.098 0.738 205 HG11 VAL 29 1HG1 VAL 29 -8.887 5.422 0.602 206 HG12 VAL 29 2HG1 VAL 29 -9.977 5.616 1.995 207 HG13 VAL 29 3HG1 VAL 29 -8.283 5.130 2.250 208 HG21 VAL 29 1HG2 VAL 29 -9.778 1.841 2.744 209 HG22 VAL 29 2HG2 VAL 29 -8.285 2.768 3.026 210 HG23 VAL 29 3HG2 VAL 29 -9.846 3.398 3.605 211 H CYS 30 H CYS 30 -12.108 3.035 3.298 212 HA CYS 30 HA CYS 30 -13.508 5.607 3.168 213 HB2 CYS 30 1HB CYS 30 -14.473 2.911 4.120 214 HB3 CYS 30 2HB CYS 30 -15.184 4.386 4.745 215 HG CYS 30 HG CYS 30 -14.716 4.728 1.651 216 H LYS 31 H LYS 31 -13.485 3.314 5.906 217 HA LYS 31 HA LYS 31 -11.386 4.815 7.234 218 HB2 LYS 31 1HB LYS 31 -13.932 5.687 7.599 219 HB3 LYS 31 2HB LYS 31 -13.841 4.478 8.865 220 HG2 LYS 31 1HG LYS 31 -12.085 5.579 9.991 221 HG3 LYS 31 2HG LYS 31 -11.535 6.408 8.547 222 HD2 LYS 31 1HD LYS 31 -12.709 8.224 9.227 223 HD3 LYS 31 2HD LYS 31 -14.179 7.331 8.894 224 HE2 LYS 31 1HE LYS 31 -14.120 6.387 11.223 225 HE3 LYS 31 2HE LYS 31 -12.668 7.313 11.552 226 HZ1 LYS 31 1HZ LYS 31 -13.947 9.316 11.046 227 HZ2 LYS 31 2HZ LYS 31 -15.299 8.420 10.854 228 HZ3 LYS 31 3HZ LYS 31 -14.568 8.494 12.313 229 H GLY 32 H GLY 32 -10.317 3.607 8.845 230 HA2 GLY 32 1HA GLY 32 -9.494 1.685 9.684 231 HA3 GLY 32 2HA GLY 32 -11.156 1.358 10.135 232 H ASP 33 H ASP 33 -9.078 1.303 7.145 233 HA ASP 33 HA ASP 33 -10.076 -1.377 6.692 234 HB2 ASP 33 1HB ASP 33 -10.955 0.864 5.215 235 HB3 ASP 33 2HB ASP 33 -9.730 0.141 4.191 236 H ILE 34 H ILE 34 -7.970 -2.232 7.173 237 HA ILE 34 HA ILE 34 -5.574 -1.083 6.409 238 HB ILE 34 HB ILE 34 -6.526 -3.629 7.472 239 HG12 ILE 34 1HG1 ILE 34 -5.581 -2.041 8.957 240 HG13 ILE 34 2HG1 ILE 34 -4.429 -3.355 8.831 241 HG21 ILE 34 1HG2 ILE 34 -4.007 -3.596 5.791 242 HG22 ILE 34 2HG2 ILE 34 -4.434 -4.865 6.964 243 HG23 ILE 34 3HG2 ILE 34 -5.462 -4.590 5.537 244 HD11 ILE 34 1HD1 ILE 34 -4.185 -0.532 7.930 245 HD12 ILE 34 2HD1 ILE 34 -2.921 -1.678 8.438 246 HD13 ILE 34 3HD1 ILE 34 -3.563 -1.740 6.779 247 H ILE 35 H ILE 35 -4.458 -0.927 4.521 248 HA ILE 35 HA ILE 35 -5.520 -2.500 2.277 249 HB ILE 35 HB ILE 35 -4.275 0.250 2.183 250 HG12 ILE 35 1HG1 ILE 35 -7.039 0.177 1.385 251 HG13 ILE 35 2HG1 ILE 35 -6.892 -0.492 2.998 252 HG21 ILE 35 1HG2 ILE 35 -4.057 -1.327 0.176 253 HG22 ILE 35 2HG2 ILE 35 -5.818 -1.140 -0.006 254 HG23 ILE 35 3HG2 ILE 35 -4.755 0.285 -0.110 255 HD11 ILE 35 1HD1 ILE 35 -6.580 2.283 2.108 256 HD12 ILE 35 2HD1 ILE 35 -6.798 1.644 3.755 257 HD13 ILE 35 3HD1 ILE 35 -5.169 1.734 3.043 258 H TYR 36 H TYR 36 -4.055 -3.599 0.969 259 HA TYR 36 HA TYR 36 -1.382 -3.813 2.116 260 HB2 TYR 36 1HB TYR 36 -2.969 -5.346 -0.037 261 HB3 TYR 36 2HB TYR 36 -1.406 -5.853 0.568 262 HD1 TYR 36 2HD TYR 36 -1.427 -5.852 3.358 263 HD2 TYR 36 1HD TYR 36 -4.741 -6.598 0.758 264 HE1 TYR 36 2HE TYR 36 -2.576 -7.184 5.194 265 HE2 TYR 36 1HE TYR 36 -5.880 -7.928 2.602 266 HH TYR 36 HH TYR 36 -5.728 -7.860 5.223 267 H VAL 37 H VAL 37 0.150 -2.473 1.291 268 HA VAL 37 HA VAL 37 -0.164 -1.461 -1.391 269 HB VAL 37 HB VAL 37 2.144 -1.024 0.498 270 HG11 VAL 37 1HG1 VAL 37 1.901 -0.222 -2.049 271 HG12 VAL 37 2HG1 VAL 37 1.017 1.106 -1.260 272 HG13 VAL 37 3HG1 VAL 37 2.703 0.766 -0.803 273 HG21 VAL 37 1HG2 VAL 37 0.488 -0.398 1.959 274 HG22 VAL 37 2HG2 VAL 37 0.670 1.119 1.045 275 HG23 VAL 37 3HG2 VAL 37 -0.664 0.004 0.662 276 H THR 38 H THR 38 0.604 -2.473 -3.167 277 HA THR 38 HA THR 38 2.734 -4.462 -2.747 278 HB THR 38 HB THR 38 0.757 -5.537 -3.591 279 HG1 THR 38 1HG THR 38 2.246 -4.602 -5.934 280 HG21 THR 38 1HG2 THR 38 -0.421 -4.685 -5.641 281 HG22 THR 38 2HG2 THR 38 -0.553 -3.538 -4.288 282 HG23 THR 38 3HG2 THR 38 0.605 -3.230 -5.605 283 H ARG 39 H ARG 39 1.613 -1.765 -4.862 284 HA ARG 39 HA ARG 39 3.892 -1.878 -6.467 285 HB2 ARG 39 1HB ARG 39 1.719 -0.776 -7.109 286 HB3 ARG 39 2HB ARG 39 2.014 0.478 -5.921 287 HG2 ARG 39 1HG ARG 39 3.201 1.624 -7.475 288 HG3 ARG 39 2HG ARG 39 4.396 0.342 -7.472 289 HD2 ARG 39 1HD ARG 39 1.869 -0.034 -9.095 290 HD3 ARG 39 2HD ARG 39 3.126 1.012 -9.724 291 HE ARG 39 HE ARG 39 4.376 -1.397 -8.864 292 HH11 ARG 39 2HH2 ARG 39 2.108 -0.318 -11.328 293 HH12 ARG 39 1HH2 ARG 39 2.545 -1.559 -12.455 294 HH21 ARG 39 2HH1 ARG 39 4.952 -3.034 -10.351 295 HH22 ARG 39 1HH1 ARG 39 4.174 -3.114 -11.896 296 H VAL 40 H VAL 40 2.883 0.810 -4.222 297 HA VAL 40 HA VAL 40 4.032 2.028 -2.771 298 HB VAL 40 HB VAL 40 6.290 0.049 -3.129 299 HG11 VAL 40 1HG1 VAL 40 6.089 1.151 -0.490 300 HG12 VAL 40 2HG1 VAL 40 7.424 1.284 -1.661 301 HG13 VAL 40 3HG1 VAL 40 6.111 2.486 -1.668 302 HG21 VAL 40 1HG2 VAL 40 3.814 -0.661 -2.322 303 HG22 VAL 40 2HG2 VAL 40 5.302 -1.407 -1.694 304 HG23 VAL 40 3HG2 VAL 40 4.492 -0.121 -0.767 305 H GLU 41 H GLU 41 3.880 3.635 -4.512 306 HA GLU 41 HA GLU 41 6.391 3.956 -5.942 307 HB2 GLU 41 1HB GLU 41 3.580 4.995 -6.432 308 HB3 GLU 41 2HB GLU 41 4.961 5.698 -7.250 309 HG2 GLU 41 1HG GLU 41 4.942 2.735 -7.336 310 HG3 GLU 41 2HG GLU 41 3.540 3.454 -8.103 311 H GLU 42 H GLU 42 7.429 6.087 -6.008 312 HA GLU 42 HA GLU 42 6.886 7.530 -3.549 313 HB2 GLU 42 1HB GLU 42 9.329 7.452 -5.371 314 HB3 GLU 42 2HB GLU 42 9.190 8.532 -3.999 315 HG2 GLU 42 1HG GLU 42 8.558 5.681 -3.394 316 HG3 GLU 42 2HG GLU 42 10.218 5.971 -3.877 317 H GLY 43 H GLY 43 6.049 7.634 -6.784 318 HA2 GLY 43 1HA GLY 43 6.524 10.263 -7.588 319 HA3 GLY 43 2HA GLY 43 5.223 9.225 -8.139 320 H GLY 44 H GLY 44 3.766 8.795 -5.742 321 HA2 GLY 44 1HA GLY 44 3.214 10.806 -4.041 322 HA3 GLY 44 2HA GLY 44 2.437 11.355 -5.512 323 H TRP 45 H TRP 45 1.905 8.545 -6.483 324 HA TRP 45 HA TRP 45 -0.418 8.073 -4.765 325 HB2 TRP 45 1HB TRP 45 0.175 7.295 -7.624 326 HB3 TRP 45 2HB TRP 45 -1.234 6.758 -6.731 327 HD1 TRP 45 HD TRP 45 0.341 10.211 -7.701 328 HE1 TRP 45 1HE TRP 45 -1.553 11.970 -8.228 329 HE3 TRP 45 3HE TRP 45 -3.551 7.128 -6.608 330 HZ2 TRP 45 2HZ TRP 45 -4.404 11.877 -8.130 331 HZ3 TRP 45 3HZ TRP 45 -5.858 8.041 -6.850 332 HH2 TRP 45 HH TRP 45 -6.316 10.327 -7.582 333 H TRP 46 H TRP 46 -0.936 5.811 -4.195 334 HA TRP 46 HA TRP 46 1.401 4.039 -4.333 335 HB2 TRP 46 1HB TRP 46 0.188 5.221 -1.974 336 HB3 TRP 46 2HB TRP 46 0.122 3.471 -1.918 337 HD1 TRP 46 HD TRP 46 3.133 5.191 -3.601 338 HE1 TRP 46 1HE TRP 46 5.355 4.780 -2.238 339 HE3 TRP 46 3HE TRP 46 0.893 2.999 0.402 340 HZ2 TRP 46 2HZ TRP 46 5.913 3.611 0.305 341 HZ3 TRP 46 3HZ TRP 46 2.348 2.251 2.283 342 HH2 TRP 46 HH TRP 46 4.776 2.527 2.278 343 H GLU 47 H GLU 47 0.864 1.985 -5.023 344 HA GLU 47 HA GLU 47 -1.988 1.509 -5.344 345 HB2 GLU 47 1HB GLU 47 -1.239 1.177 -7.479 346 HB3 GLU 47 2HB GLU 47 0.416 0.911 -6.968 347 HG2 GLU 47 1HG GLU 47 -0.170 -1.398 -6.227 348 HG3 GLU 47 2HG GLU 47 -1.836 -1.136 -6.701 349 H GLY 48 H GLY 48 -2.972 -0.029 -4.098 350 HA2 GLY 48 1HA GLY 48 -1.300 -2.187 -2.990 351 HA3 GLY 48 2HA GLY 48 -2.278 -1.200 -1.921 352 H THR 49 H THR 49 -3.579 -3.021 -1.280 353 HA THR 49 HA THR 49 -5.713 -3.564 -3.174 354 HB THR 49 HB THR 49 -3.623 -5.539 -2.277 355 HG1 THR 49 1HG THR 49 -3.740 -5.696 -4.483 356 HG21 THR 49 1HG2 THR 49 -6.596 -6.013 -2.218 357 HG22 THR 49 2HG2 THR 49 -5.606 -7.227 -3.063 358 HG23 THR 49 3HG2 THR 49 -5.300 -6.869 -1.347 359 H LEU 50 H LEU 50 -7.652 -3.523 -2.202 360 HA LEU 50 HA LEU 50 -7.600 -3.641 0.731 361 HB2 LEU 50 1HB LEU 50 -8.198 -1.464 -0.107 362 HB3 LEU 50 2HB LEU 50 -9.413 -2.150 -1.167 363 HG LEU 50 HG LEU 50 -10.704 -2.899 0.815 364 HD11 LEU 50 1HD1 LEU 50 -9.364 -1.181 2.749 365 HD12 LEU 50 2HD1 LEU 50 -9.928 -2.862 2.901 366 HD13 LEU 50 3HD1 LEU 50 -8.328 -2.520 2.199 367 HD21 LEU 50 1HD2 LEU 50 -10.372 -0.257 -0.183 368 HD22 LEU 50 2HD2 LEU 50 -11.817 -1.001 0.545 369 HD23 LEU 50 3HD2 LEU 50 -10.641 -0.147 1.574 370 H ASN 51 H ASN 51 -9.801 -4.417 1.664 371 HA ASN 51 HA ASN 51 -10.122 -7.008 1.118 372 HB2 ASN 51 1HB ASN 51 -12.067 -4.912 2.159 373 HB3 ASN 51 2HB ASN 51 -12.602 -6.571 1.982 374 HD21 ASN 51 1HD2 ASN 51 -10.850 -4.326 3.836 375 HD22 ASN 51 2HD2 ASN 51 -10.237 -5.381 5.065 376 H GLY 52 H GLY 52 -10.216 -7.532 -1.153 377 HA2 GLY 52 1HA GLY 52 -11.284 -8.031 -3.074 378 HA3 GLY 52 2HA GLY 52 -12.786 -7.484 -2.356 379 H ARG 53 H ARG 53 -9.884 -5.404 -2.527 380 HA ARG 53 HA ARG 53 -11.069 -4.030 -4.780 381 HB2 ARG 53 1HB ARG 53 -11.021 -3.049 -2.038 382 HB3 ARG 53 2HB ARG 53 -10.014 -2.013 -3.030 383 HG2 ARG 53 1HG ARG 53 -11.857 -1.633 -4.611 384 HG3 ARG 53 2HG ARG 53 -12.862 -2.812 -3.790 385 HD2 ARG 53 1HD ARG 53 -12.116 -1.058 -1.724 386 HD3 ARG 53 2HD ARG 53 -12.344 0.011 -3.093 387 HE ARG 53 HE ARG 53 -14.429 -1.286 -1.632 388 HH11 ARG 53 2HH2 ARG 53 -13.521 -0.585 -4.959 389 HH12 ARG 53 1HH2 ARG 53 -15.154 -0.569 -5.535 390 HH21 ARG 53 2HH1 ARG 53 -16.584 -1.264 -2.392 391 HH22 ARG 53 1HH1 ARG 53 -16.908 -0.957 -4.066 392 H THR 54 H THR 54 -9.470 -2.471 -5.819 393 HA THR 54 HA THR 54 -6.733 -2.618 -4.991 394 HB THR 54 HB THR 54 -7.695 -4.132 -7.474 395 HG1 THR 54 1HG THR 54 -6.984 -5.884 -6.175 396 HG21 THR 54 1HG2 THR 54 -5.593 -3.397 -8.222 397 HG22 THR 54 2HG2 THR 54 -4.978 -3.164 -6.568 398 HG23 THR 54 3HG2 THR 54 -5.095 -4.804 -7.252 399 H GLY 55 H GLY 55 -5.370 -1.149 -6.141 400 HA2 GLY 55 1HA GLY 55 -5.719 0.260 -8.356 401 HA3 GLY 55 2HA GLY 55 -6.919 1.018 -7.329 402 H TRP 56 H TRP 56 -5.862 3.039 -7.143 403 HA TRP 56 HA TRP 56 -3.372 2.926 -5.583 404 HB2 TRP 56 1HB TRP 56 -4.076 4.920 -7.745 405 HB3 TRP 56 2HB TRP 56 -2.655 4.974 -6.721 406 HD1 TRP 56 HD TRP 56 -4.164 2.173 -9.020 407 HE1 TRP 56 1HE TRP 56 -2.263 1.068 -10.480 408 HE3 TRP 56 3HE TRP 56 -0.371 5.020 -7.185 409 HZ2 TRP 56 2HZ TRP 56 0.549 1.497 -10.698 410 HZ3 TRP 56 3HZ TRP 56 1.921 4.613 -8.075 411 HH2 TRP 56 HH TRP 56 2.411 2.923 -9.771 412 H PHE 57 H PHE 57 -3.123 4.847 -4.124 413 HA PHE 57 HA PHE 57 -5.408 6.511 -3.721 414 HB2 PHE 57 1HB PHE 57 -5.648 5.609 -1.306 415 HB3 PHE 57 2HB PHE 57 -6.222 4.520 -2.553 416 HD1 PHE 57 1HD PHE 57 -4.814 2.568 -3.224 417 HD2 PHE 57 2HD PHE 57 -3.826 5.012 0.102 418 HE1 PHE 57 1HE PHE 57 -3.297 0.768 -2.352 419 HE2 PHE 57 2HE PHE 57 -2.309 3.212 0.974 420 HZ PHE 57 HZ PHE 57 -2.062 1.112 -0.264 421 HA PRO 58 HA PRO 58 -2.361 8.917 -1.801 422 HB2 PRO 58 1HB PRO 58 -3.776 10.453 -0.038 423 HB3 PRO 58 2HB PRO 58 -3.712 10.782 -1.758 424 HG2 PRO 58 1HG PRO 58 -5.918 9.613 -0.176 425 HG3 PRO 58 2HG PRO 58 -5.974 10.333 -1.773 426 HD2 PRO 58 1HD PRO 58 -6.032 7.534 -1.150 427 HD3 PRO 58 2HD PRO 58 -5.971 8.252 -2.747 428 H SER 59 H SER 59 -0.715 8.154 -0.648 429 HA SER 59 HA SER 59 -1.434 6.693 1.709 430 HB2 SER 59 1HB SER 59 0.292 5.577 0.643 431 HB3 SER 59 2HB SER 59 1.016 7.049 0.024 432 HG SER 59 HG SER 59 2.391 6.234 1.635 433 H ASN 60 H ASN 60 0.118 9.778 0.751 434 HA ASN 60 HA ASN 60 1.414 10.579 2.891 435 HB2 ASN 60 1HB ASN 60 0.253 11.848 0.700 436 HB3 ASN 60 2HB ASN 60 -0.597 12.610 2.029 437 HD21 ASN 60 1HD2 ASN 60 2.520 11.964 0.576 438 HD22 ASN 60 2HD2 ASN 60 3.423 13.215 1.365 439 H TYR 61 H TYR 61 -2.092 10.029 2.604 440 HA TYR 61 HA TYR 61 -2.575 11.215 5.228 441 HB2 TYR 61 1HB TYR 61 -4.341 9.919 3.058 442 HB3 TYR 61 2HB TYR 61 -4.972 10.724 4.481 443 HD1 TYR 61 1HD TYR 61 -2.852 11.361 1.462 444 HD2 TYR 61 2HD TYR 61 -5.486 13.008 4.403 445 HE1 TYR 61 1HE TYR 61 -2.881 13.572 0.209 446 HE2 TYR 61 2HE TYR 61 -5.506 15.215 3.140 447 HH TYR 61 HH TYR 61 -3.609 16.313 1.409 448 H VAL 62 H VAL 62 -3.151 8.115 3.420 449 HA VAL 62 HA VAL 62 -4.212 6.626 5.413 450 HB VAL 62 HB VAL 62 -2.966 6.222 2.897 451 HG11 VAL 62 1HG1 VAL 62 -2.065 4.229 5.003 452 HG12 VAL 62 2HG1 VAL 62 -1.932 3.994 3.243 453 HG13 VAL 62 3HG1 VAL 62 -1.026 5.304 4.038 454 HG21 VAL 62 1HG2 VAL 62 -5.286 5.598 3.734 455 HG22 VAL 62 2HG2 VAL 62 -4.458 4.382 2.733 456 HG23 VAL 62 3HG2 VAL 62 -4.526 4.181 4.500 457 H ARG 63 H ARG 63 -3.401 5.228 7.075 458 HA ARG 63 HA ARG 63 -0.886 6.220 8.104 459 HB2 ARG 63 1HB ARG 63 -3.411 5.204 9.280 460 HB3 ARG 63 2HB ARG 63 -1.990 4.527 10.051 461 HG2 ARG 63 1HG ARG 63 -1.789 6.451 11.234 462 HG3 ARG 63 2HG ARG 63 -1.374 7.271 9.741 463 HD2 ARG 63 1HD ARG 63 -3.550 8.099 9.419 464 HD3 ARG 63 2HD ARG 63 -4.300 6.793 10.315 465 HE ARG 63 HE ARG 63 -4.022 8.017 12.291 466 HH11 ARG 63 2HH2 ARG 63 -1.920 9.351 9.805 467 HH12 ARG 63 1HH2 ARG 63 -1.443 10.715 10.760 468 HH21 ARG 63 2HH1 ARG 63 -3.393 9.816 13.553 469 HH22 ARG 63 1HH1 ARG 63 -2.287 10.981 12.906 470 H GLU 64 H GLU 64 0.822 4.753 8.754 471 HA GLU 64 HA GLU 64 0.597 2.185 7.418 472 HB2 GLU 64 1HB GLU 64 2.512 3.231 6.582 473 HB3 GLU 64 2HB GLU 64 2.881 4.024 8.101 474 HG2 GLU 64 1HG GLU 64 2.944 1.063 8.277 475 HG3 GLU 64 2HG GLU 64 4.113 1.715 7.145 476 H ILE 65 H ILE 65 0.874 0.222 8.523 477 HA ILE 65 HA ILE 65 0.945 0.495 11.439 478 HB ILE 65 HB ILE 65 -0.057 -1.787 9.732 479 HG12 ILE 65 1HG1 ILE 65 -1.395 0.273 9.445 480 HG13 ILE 65 2HG1 ILE 65 -2.289 -1.024 10.212 481 HG21 ILE 65 1HG2 ILE 65 0.121 -2.954 11.622 482 HG22 ILE 65 2HG2 ILE 65 0.474 -1.500 12.586 483 HG23 ILE 65 3HG2 ILE 65 -1.212 -1.952 12.243 484 HD11 ILE 65 1HD1 ILE 65 -0.984 0.474 12.297 485 HD12 ILE 65 2HD1 ILE 65 -1.799 1.625 11.211 486 HD13 ILE 65 3HD1 ILE 65 -2.729 0.315 11.979 487 H LYS 66 H LYS 66 2.068 -1.756 8.810 488 HA LYS 66 HA LYS 66 3.843 -3.208 10.242 489 HB2 LYS 66 1HB LYS 66 3.777 -2.287 7.383 490 HB3 LYS 66 2HB LYS 66 5.162 -3.187 7.966 491 HG2 LYS 66 1HG LYS 66 2.642 -4.411 8.860 492 HG3 LYS 66 2HG LYS 66 2.691 -4.259 7.114 493 HD2 LYS 66 1HD LYS 66 3.731 -6.348 7.480 494 HD3 LYS 66 2HD LYS 66 5.097 -5.270 7.281 495 HE2 LYS 66 1HE LYS 66 5.848 -5.984 9.301 496 HE3 LYS 66 2HE LYS 66 4.519 -5.109 10.035 497 HZ1 LYS 66 1HZ LYS 66 4.582 -7.469 10.609 498 HZ2 LYS 66 2HZ LYS 66 3.177 -7.049 9.890 499 HZ3 LYS 66 3HZ LYS 66 4.311 -7.868 9.048 500 H SER 67 H SER 67 5.707 -2.865 11.344 501 HA SER 67 HA SER 67 6.741 -0.171 11.237 502 HB2 SER 67 1HB SER 67 8.038 -0.898 13.278 503 HB3 SER 67 2HB SER 67 6.298 -1.003 13.462 504 HG SER 67 HG SER 67 6.835 -2.989 14.151 505 H SER 68 H SER 68 7.356 -3.345 9.998 506 HA SER 68 HA SER 68 10.185 -2.813 9.722 507 HB2 SER 68 1HB SER 68 8.429 -5.222 9.587 508 HB3 SER 68 2HB SER 68 9.781 -5.223 8.473 509 HG SER 68 HG SER 68 10.894 -5.920 10.169 510 H GLU 69 H GLU 69 7.260 -2.210 8.102 511 HA GLU 69 HA GLU 69 7.636 -2.855 5.529 512 HB2 GLU 69 1HB GLU 69 6.326 -0.747 4.998 513 HB3 GLU 69 2HB GLU 69 5.607 -1.768 6.227 514 HG2 GLU 69 1HG GLU 69 5.468 0.247 7.352 515 HG3 GLU 69 2HG GLU 69 7.076 -0.216 7.870 516 H ARG 70 H ARG 70 9.272 -0.284 7.398 517 HA ARG 70 HA ARG 70 10.302 1.144 5.308 518 HB2 ARG 70 1HB ARG 70 10.533 1.152 8.099 519 HB3 ARG 70 2HB ARG 70 12.173 0.805 7.587 520 HG2 ARG 70 1HG ARG 70 11.353 2.849 5.832 521 HG3 ARG 70 2HG ARG 70 10.637 3.310 7.364 522 HD2 ARG 70 1HD ARG 70 12.660 4.071 8.057 523 HD3 ARG 70 2HD ARG 70 13.284 2.436 7.984 524 HE ARG 70 HE ARG 70 14.406 2.989 6.013 525 HH11 ARG 70 2HH2 ARG 70 11.806 5.305 6.524 526 HH12 ARG 70 1HH2 ARG 70 12.266 6.310 5.191 527 HH21 ARG 70 2HH1 ARG 70 15.013 4.315 4.254 528 HH22 ARG 70 1HH1 ARG 70 14.104 5.743 3.891 529 H SER 71 H SER 71 11.401 -1.901 6.861 530 HA SER 71 HA SER 71 13.675 -1.935 5.058 531 HB2 SER 71 1HB SER 71 14.590 -3.682 6.492 532 HB3 SER 71 2HB SER 71 14.081 -2.336 7.493 533 HG SER 71 HG SER 71 12.609 -4.790 7.039 534 H GLY 72 H GLY 72 10.601 -2.554 4.623 535 HA2 GLY 72 1HA GLY 72 10.599 -5.358 3.930 536 HA3 GLY 72 2HA GLY 72 9.310 -4.192 3.702 537 HA PRO 73 HA PRO 73 10.467 -4.191 -0.494 538 HB2 PRO 73 1HB PRO 73 8.791 -2.232 -1.402 539 HB3 PRO 73 2HB PRO 73 8.285 -3.893 -1.165 540 HG2 PRO 73 1HG PRO 73 7.699 -1.522 0.499 541 HG3 PRO 73 2HG PRO 73 6.879 -3.070 0.468 542 HD2 PRO 73 1HD PRO 73 8.738 -2.153 2.450 543 HD3 PRO 73 2HD PRO 73 8.008 -3.742 2.355 544 H SER 74 H SER 74 12.584 -3.377 0.599 545 HA SER 74 HA SER 74 13.219 -1.061 -0.964 546 HB2 SER 74 1HB SER 74 14.100 0.263 0.874 547 HB3 SER 74 2HB SER 74 12.427 -0.120 1.221 548 HG SER 74 HG SER 74 13.660 -2.127 2.331 549 H SER 75 H SER 75 15.274 -1.320 -1.813 550 HA SER 75 HA SER 75 17.108 -2.989 -0.315 551 HB2 SER 75 1HB SER 75 15.715 -4.089 -2.392 552 HB3 SER 75 2HB SER 75 17.076 -3.422 -3.274 553 HG SER 75 HG SER 75 17.700 -5.490 -2.659 554 H GLY 76 H GLY 76 18.577 -1.337 0.135 555 HA2 GLY 76 1HA GLY 76 19.445 0.349 -2.126 556 HA3 GLY 76 2HA GLY 76 19.565 0.754 -0.425 Start of MODEL 19 1 H1 GLY 1 H GLY 1 0.449 -11.028 -17.178 2 HA2 GLY 1 1HA GLY 1 -0.641 -13.732 -16.932 3 HA3 GLY 1 2HA GLY 1 0.886 -13.547 -17.771 4 H SER 2 H SER 2 1.514 -15.011 -15.832 5 HA SER 2 HA SER 2 2.870 -13.344 -13.996 6 HB2 SER 2 1HB SER 2 0.320 -13.969 -13.172 7 HB3 SER 2 2HB SER 2 1.210 -15.321 -12.504 8 HG SER 2 HG SER 2 1.252 -12.606 -11.778 9 H SER 3 H SER 3 4.787 -14.371 -14.648 10 HA SER 3 HA SER 3 5.146 -16.995 -13.599 11 HB2 SER 3 1HB SER 3 5.849 -18.067 -15.666 12 HB3 SER 3 2HB SER 3 4.225 -17.447 -15.886 13 HG SER 3 HG SER 3 5.122 -15.598 -17.000 14 H GLY 4 H GLY 4 7.271 -17.215 -12.881 15 HA2 GLY 4 1HA GLY 4 9.630 -16.795 -13.502 16 HA3 GLY 4 2HA GLY 4 9.167 -15.127 -13.779 17 H SER 5 H SER 5 8.527 -13.766 -11.957 18 HA SER 5 HA SER 5 8.731 -14.882 -9.347 19 HB2 SER 5 1HB SER 5 11.076 -13.713 -10.585 20 HB3 SER 5 2HB SER 5 10.570 -12.685 -9.259 21 HG SER 5 HG SER 5 11.811 -14.160 -8.215 22 H SER 6 H SER 6 8.489 -12.978 -7.654 23 HA SER 6 HA SER 6 7.198 -10.692 -8.852 24 HB2 SER 6 1HB SER 6 5.839 -12.727 -7.071 25 HB3 SER 6 2HB SER 6 5.335 -11.049 -7.003 26 HG SER 6 HG SER 6 5.300 -11.367 -9.531 27 H GLY 7 H GLY 7 7.754 -12.377 -5.666 28 HA2 GLY 7 1HA GLY 7 9.356 -11.592 -4.113 29 HA3 GLY 7 2HA GLY 7 9.167 -9.965 -4.736 30 H SER 8 H SER 8 8.955 -9.721 -2.212 31 HA SER 8 HA SER 8 6.099 -9.725 -1.689 32 HB2 SER 8 1HB SER 8 8.243 -10.614 0.292 33 HB3 SER 8 2HB SER 8 6.551 -10.387 0.687 34 HG SER 8 HG SER 8 7.790 -12.424 -0.888 35 H HIS 9 H HIS 9 5.447 -7.667 -1.170 36 HA HIS 9 HA HIS 9 7.183 -6.030 0.441 37 HB2 HIS 9 1HB HIS 9 7.177 -5.760 -2.395 38 HB3 HIS 9 2HB HIS 9 6.328 -4.374 -1.742 39 HD1 HIS 9 1HD HIS 9 7.936 -3.772 0.800 40 HD2 HIS 9 2HD HIS 9 9.698 -4.813 -2.862 41 HE1 HIS 9 1HE HIS 9 10.320 -2.865 0.870 42 H GLN 10 H GLN 10 4.483 -7.463 0.455 43 HA GLN 10 HA GLN 10 2.448 -5.645 0.174 44 HB2 GLN 10 1HB GLN 10 2.613 -8.283 0.841 45 HB3 GLN 10 2HB GLN 10 2.239 -7.615 2.418 46 HG2 GLN 10 1HG GLN 10 0.121 -6.901 1.778 47 HG3 GLN 10 2HG GLN 10 0.606 -6.577 0.125 48 HE21 GLN 10 1HE2 GLN 10 -1.661 -7.741 0.217 49 HE22 GLN 10 2HE2 GLN 10 -1.625 -9.438 -0.125 50 H LEU 11 H LEU 11 2.091 -3.721 1.184 51 HA LEU 11 HA LEU 11 3.231 -3.405 3.868 52 HB2 LEU 11 1HB LEU 11 3.590 -1.893 1.606 53 HB3 LEU 11 2HB LEU 11 2.322 -1.012 2.433 54 HG LEU 11 HG LEU 11 5.025 -1.738 3.596 55 HD11 LEU 11 1HD1 LEU 11 5.562 -0.031 2.173 56 HD12 LEU 11 2HD1 LEU 11 3.946 0.708 2.260 57 HD13 LEU 11 3HD1 LEU 11 5.088 0.902 3.613 58 HD21 LEU 11 1HD2 LEU 11 2.542 -0.668 4.817 59 HD22 LEU 11 2HD2 LEU 11 3.860 -1.630 5.530 60 HD23 LEU 11 3HD2 LEU 11 4.067 0.120 5.285 61 H ILE 12 H ILE 12 1.854 -3.431 5.556 62 HA ILE 12 HA ILE 12 -0.983 -3.259 4.967 63 HB ILE 12 HB ILE 12 0.611 -4.121 7.373 64 HG12 ILE 12 1HG1 ILE 12 -1.182 -6.111 6.548 65 HG13 ILE 12 2HG1 ILE 12 -0.536 -5.455 5.057 66 HG21 ILE 12 1HG2 ILE 12 -2.398 -3.871 7.112 67 HG22 ILE 12 2HG2 ILE 12 -1.542 -4.711 8.428 68 HG23 ILE 12 3HG2 ILE 12 -1.338 -2.955 8.211 69 HD11 ILE 12 1HD1 ILE 12 1.771 -5.805 5.837 70 HD12 ILE 12 2HD1 ILE 12 1.175 -6.346 7.424 71 HD13 ILE 12 3HD1 ILE 12 0.858 -7.327 5.974 72 H VAL 13 H VAL 13 -1.855 -1.258 4.874 73 HA VAL 13 HA VAL 13 -1.108 0.584 7.026 74 HB VAL 13 HB VAL 13 -1.076 2.429 5.461 75 HG11 VAL 13 1HG1 VAL 13 0.909 0.557 5.787 76 HG12 VAL 13 2HG1 VAL 13 0.792 0.671 4.014 77 HG13 VAL 13 3HG1 VAL 13 1.103 2.132 4.981 78 HG21 VAL 13 1HG2 VAL 13 -1.110 2.038 3.013 79 HG22 VAL 13 2HG2 VAL 13 -1.526 0.333 3.309 80 HG23 VAL 13 3HG2 VAL 13 -2.654 1.621 3.795 81 H LYS 14 H LYS 14 -2.826 1.806 7.857 82 HA LYS 14 HA LYS 14 -5.443 0.889 6.942 83 HB2 LYS 14 1HB LYS 14 -4.650 0.655 9.363 84 HB3 LYS 14 2HB LYS 14 -4.812 2.395 9.486 85 HG2 LYS 14 1HG LYS 14 -6.934 1.703 10.191 86 HG3 LYS 14 2HG LYS 14 -7.230 1.989 8.487 87 HD2 LYS 14 1HD LYS 14 -8.157 -0.138 8.708 88 HD3 LYS 14 2HD LYS 14 -6.529 -0.564 8.224 89 HE2 LYS 14 1HE LYS 14 -5.873 -1.096 10.476 90 HE3 LYS 14 2HE LYS 14 -7.260 -0.274 11.163 91 HZ1 LYS 14 1HZ LYS 14 -7.718 -2.491 9.340 92 HZ2 LYS 14 2HZ LYS 14 -7.263 -2.819 10.874 93 HZ3 LYS 14 3HZ LYS 14 -8.633 -1.976 10.591 94 H ALA 15 H ALA 15 -7.036 2.295 6.200 95 HA ALA 15 HA ALA 15 -6.205 4.573 4.876 96 HB1 ALA 15 1HB ALA 15 -8.186 3.654 4.086 97 HB2 ALA 15 2HB ALA 15 -8.841 3.393 5.720 98 HB3 ALA 15 3HB ALA 15 -8.812 5.031 5.025 99 H ARG 16 H ARG 16 -7.055 6.862 5.275 100 HA ARG 16 HA ARG 16 -6.499 7.454 8.045 101 HB2 ARG 16 1HB ARG 16 -5.159 8.664 6.371 102 HB3 ARG 16 2HB ARG 16 -6.605 9.210 5.544 103 HG2 ARG 16 1HG ARG 16 -7.218 10.244 7.928 104 HG3 ARG 16 2HG ARG 16 -5.494 10.109 8.211 105 HD2 ARG 16 1HD ARG 16 -6.190 11.287 5.567 106 HD3 ARG 16 2HD ARG 16 -6.731 12.242 6.934 107 HE ARG 16 HE ARG 16 -4.033 12.018 6.039 108 HH11 ARG 16 2HH2 ARG 16 -5.857 11.955 9.048 109 HH12 ARG 16 1HH2 ARG 16 -4.543 12.550 10.007 110 HH21 ARG 16 2HH1 ARG 16 -2.299 12.804 7.304 111 HH22 ARG 16 1HH1 ARG 16 -2.505 13.036 9.008 112 H PHE 17 H PHE 17 -8.744 8.593 5.404 113 HA PHE 17 HA PHE 17 -10.917 8.570 7.318 114 HB2 PHE 17 1HB PHE 17 -11.371 10.926 7.040 115 HB3 PHE 17 2HB PHE 17 -9.632 10.865 7.243 116 HD1 PHE 17 1HD PHE 17 -8.146 11.138 5.276 117 HD2 PHE 17 2HD PHE 17 -12.350 11.625 4.972 118 HE1 PHE 17 1HE PHE 17 -7.849 12.337 3.092 119 HE2 PHE 17 2HE PHE 17 -12.053 12.824 2.787 120 HZ PHE 17 HZ PHE 17 -9.806 13.166 1.873 121 H ASN 18 H ASN 18 -12.940 9.691 5.907 122 HA ASN 18 HA ASN 18 -13.546 7.780 4.060 123 HB2 ASN 18 1HB ASN 18 -14.857 9.940 5.239 124 HB3 ASN 18 2HB ASN 18 -14.791 10.444 3.562 125 HD21 ASN 18 1HD2 ASN 18 -16.034 8.169 5.858 126 HD22 ASN 18 2HD2 ASN 18 -17.183 7.369 4.838 127 H PHE 19 H PHE 19 -12.299 7.443 2.195 128 HA PHE 19 HA PHE 19 -11.584 9.840 0.657 129 HB2 PHE 19 1HB PHE 19 -9.651 8.549 1.559 130 HB3 PHE 19 2HB PHE 19 -10.340 7.046 0.977 131 HD1 PHE 19 1HD PHE 19 -8.662 10.158 -0.028 132 HD2 PHE 19 2HD PHE 19 -10.103 6.381 -1.319 133 HE1 PHE 19 1HE PHE 19 -7.383 10.402 -2.174 134 HE2 PHE 19 2HE PHE 19 -8.825 6.626 -3.465 135 HZ PHE 19 HZ PHE 19 -7.479 8.634 -3.867 136 H LYS 20 H LYS 20 -12.335 10.014 -1.423 137 HA LYS 20 HA LYS 20 -13.836 7.703 -2.422 138 HB2 LYS 20 1HB LYS 20 -15.172 9.714 -2.039 139 HB3 LYS 20 2HB LYS 20 -14.098 10.658 -3.052 140 HG2 LYS 20 1HG LYS 20 -15.734 10.126 -4.618 141 HG3 LYS 20 2HG LYS 20 -14.648 8.773 -4.865 142 HD2 LYS 20 1HD LYS 20 -16.402 7.403 -4.419 143 HD3 LYS 20 2HD LYS 20 -16.283 7.913 -2.746 144 HE2 LYS 20 1HE LYS 20 -17.673 10.017 -4.061 145 HE3 LYS 20 2HE LYS 20 -18.350 8.541 -4.722 146 HZ1 LYS 20 1HZ LYS 20 -19.328 8.111 -2.804 147 HZ2 LYS 20 2HZ LYS 20 -17.982 8.381 -1.919 148 HZ3 LYS 20 3HZ LYS 20 -18.956 9.627 -2.328 149 H GLN 21 H GLN 21 -13.444 6.874 -4.494 150 HA GLN 21 HA GLN 21 -10.814 7.461 -5.443 151 HB2 GLN 21 1HB GLN 21 -11.049 5.493 -6.787 152 HB3 GLN 21 2HB GLN 21 -11.827 5.126 -5.261 153 HG2 GLN 21 1HG GLN 21 -14.035 5.930 -6.393 154 HG3 GLN 21 2HG GLN 21 -13.155 5.839 -7.906 155 HE21 GLN 21 1HE2 GLN 21 -11.767 3.734 -8.050 156 HE22 GLN 21 2HE2 GLN 21 -12.614 2.258 -7.725 157 H THR 22 H THR 22 -10.263 8.299 -7.526 158 HA THR 22 HA THR 22 -12.201 10.139 -8.567 159 HB THR 22 HB THR 22 -10.250 10.748 -10.044 160 HG1 THR 22 1HG THR 22 -8.914 9.004 -10.321 161 HG21 THR 22 1HG2 THR 22 -9.406 10.197 -7.149 162 HG22 THR 22 2HG2 THR 22 -8.618 11.333 -8.270 163 HG23 THR 22 3HG2 THR 22 -10.270 11.656 -7.691 164 H ASN 23 H ASN 23 -11.428 6.822 -9.127 165 HA ASN 23 HA ASN 23 -13.404 6.676 -11.096 166 HB2 ASN 23 1HB ASN 23 -10.524 6.785 -11.977 167 HB3 ASN 23 2HB ASN 23 -11.525 5.570 -12.746 168 HD21 ASN 23 1HD2 ASN 23 -13.535 6.243 -13.734 169 HD22 ASN 23 2HD2 ASN 23 -13.671 7.811 -14.458 170 H GLU 24 H GLU 24 -13.560 4.291 -11.896 171 HA GLU 24 HA GLU 24 -13.217 2.598 -9.728 172 HB2 GLU 24 1HB GLU 24 -13.981 0.819 -11.282 173 HB3 GLU 24 2HB GLU 24 -14.968 2.259 -11.417 174 HG2 GLU 24 1HG GLU 24 -13.263 2.926 -13.338 175 HG3 GLU 24 2HG GLU 24 -12.873 1.218 -13.344 176 H ASP 25 H ASP 25 -10.950 3.748 -12.016 177 HA ASP 25 HA ASP 25 -9.410 1.401 -12.245 178 HB2 ASP 25 1HB ASP 25 -9.408 4.071 -13.294 179 HB3 ASP 25 2HB ASP 25 -7.839 3.829 -12.551 180 H GLU 26 H GLU 26 -9.536 4.287 -10.108 181 HA GLU 26 HA GLU 26 -7.107 3.520 -8.789 182 HB2 GLU 26 1HB GLU 26 -8.474 5.943 -9.184 183 HB3 GLU 26 2HB GLU 26 -8.704 5.612 -7.478 184 HG2 GLU 26 1HG GLU 26 -6.611 6.413 -7.125 185 HG3 GLU 26 2HG GLU 26 -5.998 4.973 -7.914 186 H LEU 27 H LEU 27 -7.299 3.716 -6.181 187 HA LEU 27 HA LEU 27 -9.206 1.647 -5.482 188 HB2 LEU 27 1HB LEU 27 -6.602 1.980 -4.883 189 HB3 LEU 27 2HB LEU 27 -7.319 2.762 -3.489 190 HG LEU 27 HG LEU 27 -8.420 0.094 -4.203 191 HD11 LEU 27 1HD1 LEU 27 -5.906 -0.052 -4.556 192 HD12 LEU 27 2HD1 LEU 27 -5.744 0.256 -2.811 193 HD13 LEU 27 3HD1 LEU 27 -6.618 -1.186 -3.382 194 HD21 LEU 27 1HD2 LEU 27 -7.563 0.525 -1.462 195 HD22 LEU 27 2HD2 LEU 27 -8.593 1.853 -2.049 196 HD23 LEU 27 3HD2 LEU 27 -9.181 0.174 -2.116 197 H SER 28 H SER 28 -10.193 1.929 -3.144 198 HA SER 28 HA SER 28 -10.867 4.667 -2.613 199 HB2 SER 28 1HB SER 28 -12.545 3.302 -4.315 200 HB3 SER 28 2HB SER 28 -13.272 2.913 -2.769 201 HG SER 28 HG SER 28 -14.243 4.825 -3.349 202 H VAL 29 H VAL 29 -11.066 4.957 -0.400 203 HA VAL 29 HA VAL 29 -11.731 2.605 1.203 204 HB VAL 29 HB VAL 29 -9.920 3.293 2.794 205 HG11 VAL 29 1HG1 VAL 29 -9.637 1.933 0.208 206 HG12 VAL 29 2HG1 VAL 29 -8.094 2.522 0.871 207 HG13 VAL 29 3HG1 VAL 29 -9.117 1.429 1.833 208 HG21 VAL 29 1HG2 VAL 29 -9.423 5.524 2.147 209 HG22 VAL 29 2HG2 VAL 29 -7.990 4.558 1.720 210 HG23 VAL 29 3HG2 VAL 29 -9.139 5.052 0.454 211 H CYS 30 H CYS 30 -12.459 3.208 3.420 212 HA CYS 30 HA CYS 30 -13.588 5.912 3.375 213 HB2 CYS 30 1HB CYS 30 -14.796 3.281 3.984 214 HB3 CYS 30 2HB CYS 30 -15.178 4.543 5.138 215 HG CYS 30 HG CYS 30 -15.577 6.335 3.028 216 H LYS 31 H LYS 31 -13.420 3.410 5.978 217 HA LYS 31 HA LYS 31 -11.260 4.767 7.294 218 HB2 LYS 31 1HB LYS 31 -13.747 5.828 7.772 219 HB3 LYS 31 2HB LYS 31 -13.613 4.656 9.068 220 HG2 LYS 31 1HG LYS 31 -11.656 5.670 9.962 221 HG3 LYS 31 2HG LYS 31 -11.283 6.501 8.466 222 HD2 LYS 31 1HD LYS 31 -12.243 8.318 9.467 223 HD3 LYS 31 2HD LYS 31 -13.762 7.567 9.023 224 HE2 LYS 31 1HE LYS 31 -13.054 6.263 11.420 225 HE3 LYS 31 2HE LYS 31 -12.572 7.927 11.694 226 HZ1 LYS 31 1HZ LYS 31 -14.888 8.401 10.688 227 HZ2 LYS 31 2HZ LYS 31 -15.220 6.870 11.149 228 HZ3 LYS 31 3HZ LYS 31 -14.754 7.974 12.258 229 H GLY 32 H GLY 32 -10.173 3.383 8.684 230 HA2 GLY 32 1HA GLY 32 -9.587 1.432 9.631 231 HA3 GLY 32 2HA GLY 32 -11.286 1.170 9.970 232 H ASP 33 H ASP 33 -9.072 1.176 7.076 233 HA ASP 33 HA ASP 33 -10.107 -1.454 6.464 234 HB2 ASP 33 1HB ASP 33 -10.893 0.890 5.063 235 HB3 ASP 33 2HB ASP 33 -9.704 0.124 4.027 236 H ILE 34 H ILE 34 -8.011 -2.336 6.961 237 HA ILE 34 HA ILE 34 -5.595 -1.174 6.268 238 HB ILE 34 HB ILE 34 -6.574 -3.747 7.248 239 HG12 ILE 34 1HG1 ILE 34 -5.666 -2.219 8.806 240 HG13 ILE 34 2HG1 ILE 34 -4.488 -3.505 8.645 241 HG21 ILE 34 1HG2 ILE 34 -4.272 -4.812 6.770 242 HG22 ILE 34 2HG2 ILE 34 -5.505 -4.828 5.486 243 HG23 ILE 34 3HG2 ILE 34 -4.178 -3.644 5.430 244 HD11 ILE 34 1HD1 ILE 34 -2.989 -1.821 8.300 245 HD12 ILE 34 2HD1 ILE 34 -3.667 -1.759 6.655 246 HD13 ILE 34 3HD1 ILE 34 -4.267 -0.646 7.908 247 H ILE 35 H ILE 35 -4.371 -1.079 4.427 248 HA ILE 35 HA ILE 35 -5.423 -2.572 2.126 249 HB ILE 35 HB ILE 35 -4.167 0.168 2.043 250 HG12 ILE 35 1HG1 ILE 35 -6.925 0.252 1.341 251 HG13 ILE 35 2HG1 ILE 35 -6.810 -0.563 2.888 252 HG21 ILE 35 1HG2 ILE 35 -4.805 0.234 -0.232 253 HG22 ILE 35 2HG2 ILE 35 -4.029 -1.348 0.017 254 HG23 ILE 35 3HG2 ILE 35 -5.803 -1.232 -0.077 255 HD11 ILE 35 1HD1 ILE 35 -5.085 1.430 3.420 256 HD12 ILE 35 2HD1 ILE 35 -6.034 2.249 2.156 257 HD13 ILE 35 3HD1 ILE 35 -6.841 1.639 3.622 258 H TYR 36 H TYR 36 -3.922 -3.624 0.814 259 HA TYR 36 HA TYR 36 -1.260 -3.813 1.999 260 HB2 TYR 36 1HB TYR 36 -2.832 -5.374 -0.146 261 HB3 TYR 36 2HB TYR 36 -1.245 -5.849 0.428 262 HD1 TYR 36 2HD TYR 36 -1.276 -5.753 3.259 263 HD2 TYR 36 1HD TYR 36 -4.499 -6.771 0.636 264 HE1 TYR 36 2HE TYR 36 -2.361 -7.116 5.110 265 HE2 TYR 36 1HE TYR 36 -5.574 -8.131 2.496 266 HH TYR 36 HH TYR 36 -3.887 -8.924 5.355 267 H VAL 37 H VAL 37 0.245 -2.434 1.187 268 HA VAL 37 HA VAL 37 -0.060 -1.439 -1.502 269 HB VAL 37 HB VAL 37 2.193 -0.964 0.449 270 HG11 VAL 37 1HG1 VAL 37 1.977 -0.205 -2.157 271 HG12 VAL 37 2HG1 VAL 37 1.218 1.182 -1.341 272 HG13 VAL 37 3HG1 VAL 37 2.878 0.701 -0.919 273 HG21 VAL 37 1HG2 VAL 37 0.851 0.184 1.810 274 HG22 VAL 37 2HG2 VAL 37 0.259 1.167 0.450 275 HG23 VAL 37 3HG2 VAL 37 -0.549 -0.365 0.858 276 H THR 38 H THR 38 0.717 -2.468 -3.263 277 HA THR 38 HA THR 38 2.893 -4.400 -2.824 278 HB THR 38 HB THR 38 0.892 -5.491 -3.646 279 HG1 THR 38 1HG THR 38 2.480 -4.683 -5.971 280 HG21 THR 38 1HG2 THR 38 -0.360 -3.501 -4.486 281 HG22 THR 38 2HG2 THR 38 0.840 -3.296 -5.785 282 HG23 THR 38 3HG2 THR 38 -0.213 -4.731 -5.764 283 H ARG 39 H ARG 39 1.706 -1.767 -4.983 284 HA ARG 39 HA ARG 39 3.963 -1.840 -6.604 285 HB2 ARG 39 1HB ARG 39 1.670 -0.712 -7.040 286 HB3 ARG 39 2HB ARG 39 2.236 0.619 -6.051 287 HG2 ARG 39 1HG ARG 39 2.790 1.284 -8.263 288 HG3 ARG 39 2HG ARG 39 4.308 0.699 -7.612 289 HD2 ARG 39 1HD ARG 39 2.710 -1.458 -8.855 290 HD3 ARG 39 2HD ARG 39 3.093 -0.174 -9.984 291 HE ARG 39 HE ARG 39 5.484 -0.724 -8.579 292 HH11 ARG 39 2HH2 ARG 39 3.291 -2.429 -10.740 293 HH12 ARG 39 1HH2 ARG 39 4.522 -3.465 -11.379 294 HH21 ARG 39 2HH1 ARG 39 7.109 -2.091 -9.423 295 HH22 ARG 39 1HH1 ARG 39 6.709 -3.272 -10.625 296 H VAL 40 H VAL 40 2.972 0.788 -4.275 297 HA VAL 40 HA VAL 40 4.141 2.021 -2.857 298 HB VAL 40 HB VAL 40 6.387 0.037 -3.272 299 HG11 VAL 40 1HG1 VAL 40 6.280 2.486 -1.827 300 HG12 VAL 40 2HG1 VAL 40 6.277 1.164 -0.635 301 HG13 VAL 40 3HG1 VAL 40 7.578 1.267 -1.846 302 HG21 VAL 40 1HG2 VAL 40 3.907 -0.601 -2.350 303 HG22 VAL 40 2HG2 VAL 40 5.407 -1.416 -1.843 304 HG23 VAL 40 3HG2 VAL 40 4.712 -0.124 -0.836 305 H GLU 41 H GLU 41 3.930 3.601 -4.646 306 HA GLU 41 HA GLU 41 6.472 3.999 -6.010 307 HB2 GLU 41 1HB GLU 41 3.683 5.039 -6.675 308 HB3 GLU 41 2HB GLU 41 5.130 5.459 -7.570 309 HG2 GLU 41 1HG GLU 41 5.333 2.708 -7.544 310 HG3 GLU 41 2HG GLU 41 3.591 2.902 -7.543 311 H GLU 42 H GLU 42 7.736 5.743 -5.471 312 HA GLU 42 HA GLU 42 6.786 7.405 -3.360 313 HB2 GLU 42 1HB GLU 42 9.423 7.356 -4.891 314 HB3 GLU 42 2HB GLU 42 9.111 8.396 -3.516 315 HG2 GLU 42 1HG GLU 42 8.502 5.489 -3.119 316 HG3 GLU 42 2HG GLU 42 10.197 5.897 -3.299 317 H GLY 43 H GLY 43 6.144 7.426 -6.584 318 HA2 GLY 43 1HA GLY 43 6.763 10.005 -7.478 319 HA3 GLY 43 2HA GLY 43 5.469 8.976 -8.063 320 H GLY 44 H GLY 44 3.833 8.684 -5.784 321 HA2 GLY 44 1HA GLY 44 3.261 10.834 -4.220 322 HA3 GLY 44 2HA GLY 44 2.529 11.247 -5.758 323 H TRP 45 H TRP 45 1.937 8.467 -6.584 324 HA TRP 45 HA TRP 45 -0.358 8.056 -4.815 325 HB2 TRP 45 1HB TRP 45 0.174 7.196 -7.663 326 HB3 TRP 45 2HB TRP 45 -1.230 6.715 -6.733 327 HD1 TRP 45 HD TRP 45 0.392 10.064 -7.936 328 HE1 TRP 45 1HE TRP 45 -1.472 11.861 -8.445 329 HE3 TRP 45 3HE TRP 45 -3.527 7.192 -6.434 330 HZ2 TRP 45 2HZ TRP 45 -4.312 11.879 -8.167 331 HZ3 TRP 45 3HZ TRP 45 -5.812 8.175 -6.585 332 HH2 TRP 45 HH TRP 45 -6.238 10.434 -7.416 333 H TRP 46 H TRP 46 -0.924 5.758 -4.295 334 HA TRP 46 HA TRP 46 1.421 3.995 -4.371 335 HB2 TRP 46 1HB TRP 46 0.191 5.200 -2.038 336 HB3 TRP 46 2HB TRP 46 0.099 3.452 -1.968 337 HD1 TRP 46 HD TRP 46 3.163 5.063 -3.648 338 HE1 TRP 46 1HE TRP 46 5.358 4.650 -2.243 339 HE3 TRP 46 3HE TRP 46 0.824 3.059 0.399 340 HZ2 TRP 46 2HZ TRP 46 5.859 3.557 0.345 341 HZ3 TRP 46 3HZ TRP 46 2.240 2.345 2.322 342 HH2 TRP 46 HH TRP 46 4.675 2.567 2.339 343 H GLU 47 H GLU 47 0.888 1.973 -5.126 344 HA GLU 47 HA GLU 47 -1.959 1.479 -5.444 345 HB2 GLU 47 1HB GLU 47 -1.169 1.189 -7.576 346 HB3 GLU 47 2HB GLU 47 0.468 0.859 -7.043 347 HG2 GLU 47 1HG GLU 47 -0.202 -1.440 -6.354 348 HG3 GLU 47 2HG GLU 47 -1.856 -1.115 -6.831 349 H GLY 48 H GLY 48 -2.936 -0.023 -4.155 350 HA2 GLY 48 1HA GLY 48 -1.301 -2.237 -3.118 351 HA3 GLY 48 2HA GLY 48 -2.177 -1.215 -1.996 352 H THR 49 H THR 49 -3.332 -3.250 -1.397 353 HA THR 49 HA THR 49 -5.641 -3.614 -3.164 354 HB THR 49 HB THR 49 -3.577 -5.640 -2.327 355 HG1 THR 49 1HG THR 49 -5.583 -5.277 -4.442 356 HG21 THR 49 1HG2 THR 49 -5.539 -7.343 -2.940 357 HG22 THR 49 2HG2 THR 49 -5.324 -6.815 -1.254 358 HG23 THR 49 3HG2 THR 49 -6.579 -6.065 -2.268 359 H LEU 50 H LEU 50 -7.516 -3.390 -2.115 360 HA LEU 50 HA LEU 50 -7.368 -3.465 0.810 361 HB2 LEU 50 1HB LEU 50 -8.024 -1.337 -0.070 362 HB3 LEU 50 2HB LEU 50 -9.240 -2.068 -1.099 363 HG LEU 50 HG LEU 50 -10.503 -2.772 0.921 364 HD11 LEU 50 1HD1 LEU 50 -8.822 -0.964 2.616 365 HD12 LEU 50 2HD1 LEU 50 -9.884 -2.313 3.085 366 HD13 LEU 50 3HD1 LEU 50 -8.299 -2.643 2.344 367 HD21 LEU 50 1HD2 LEU 50 -10.739 -0.139 1.671 368 HD22 LEU 50 2HD2 LEU 50 -10.045 -0.015 0.036 369 HD23 LEU 50 3HD2 LEU 50 -11.563 -0.908 0.292 370 H ASN 51 H ASN 51 -9.518 -4.219 1.868 371 HA ASN 51 HA ASN 51 -9.834 -6.835 1.452 372 HB2 ASN 51 1HB ASN 51 -11.775 -4.721 2.474 373 HB3 ASN 51 2HB ASN 51 -12.260 -6.404 2.426 374 HD21 ASN 51 1HD2 ASN 51 -10.852 -4.028 4.240 375 HD22 ASN 51 2HD2 ASN 51 -10.019 -4.971 5.431 376 H GLY 52 H GLY 52 -10.009 -7.429 -0.804 377 HA2 GLY 52 1HA GLY 52 -11.151 -8.016 -2.655 378 HA3 GLY 52 2HA GLY 52 -12.632 -7.483 -1.884 379 H ARG 53 H ARG 53 -9.857 -5.279 -2.175 380 HA ARG 53 HA ARG 53 -11.180 -4.019 -4.428 381 HB2 ARG 53 1HB ARG 53 -10.906 -2.952 -1.709 382 HB3 ARG 53 2HB ARG 53 -10.087 -1.910 -2.856 383 HG2 ARG 53 1HG ARG 53 -12.832 -2.901 -3.604 384 HG3 ARG 53 2HG ARG 53 -12.730 -1.687 -2.344 385 HD2 ARG 53 1HD ARG 53 -11.211 -0.345 -3.974 386 HD3 ARG 53 2HD ARG 53 -11.731 -1.468 -5.215 387 HE ARG 53 HE ARG 53 -13.368 0.612 -3.932 388 HH11 ARG 53 2HH2 ARG 53 -13.391 -2.348 -5.834 389 HH12 ARG 53 1HH2 ARG 53 -14.972 -2.071 -6.483 390 HH21 ARG 53 2HH1 ARG 53 -15.454 0.980 -4.788 391 HH22 ARG 53 1HH1 ARG 53 -16.154 -0.165 -5.884 392 H THR 54 H THR 54 -9.640 -2.250 -5.421 393 HA THR 54 HA THR 54 -6.853 -2.522 -4.832 394 HB THR 54 HB THR 54 -7.592 -4.636 -6.205 395 HG1 THR 54 1HG THR 54 -5.479 -4.473 -7.054 396 HG21 THR 54 1HG2 THR 54 -8.857 -3.084 -7.921 397 HG22 THR 54 2HG2 THR 54 -7.228 -2.694 -8.519 398 HG23 THR 54 3HG2 THR 54 -7.814 -4.374 -8.566 399 H GLY 55 H GLY 55 -5.531 -1.262 -6.555 400 HA2 GLY 55 1HA GLY 55 -5.997 0.419 -8.374 401 HA3 GLY 55 2HA GLY 55 -7.132 1.126 -7.242 402 H TRP 56 H TRP 56 -5.738 3.099 -7.506 403 HA TRP 56 HA TRP 56 -3.302 2.888 -5.871 404 HB2 TRP 56 1HB TRP 56 -4.008 4.852 -8.058 405 HB3 TRP 56 2HB TRP 56 -2.585 4.953 -7.040 406 HD1 TRP 56 HD TRP 56 -4.107 2.189 -9.371 407 HE1 TRP 56 1HE TRP 56 -2.195 0.991 -10.738 408 HE3 TRP 56 3HE TRP 56 -0.269 4.813 -7.312 409 HZ2 TRP 56 2HZ TRP 56 0.645 1.268 -10.804 410 HZ3 TRP 56 3HZ TRP 56 2.042 4.288 -8.083 411 HH2 TRP 56 HH TRP 56 2.530 2.584 -9.766 412 H PHE 57 H PHE 57 -2.991 4.532 -4.237 413 HA PHE 57 HA PHE 57 -5.130 6.416 -3.813 414 HB2 PHE 57 1HB PHE 57 -5.559 5.491 -1.512 415 HB3 PHE 57 2HB PHE 57 -5.927 4.291 -2.734 416 HD1 PHE 57 2HD PHE 57 -4.366 2.398 -3.115 417 HD2 PHE 57 1HD PHE 57 -3.795 5.150 0.064 418 HE1 PHE 57 2HE PHE 57 -2.809 0.779 -1.993 419 HE2 PHE 57 1HE PHE 57 -2.238 3.531 1.186 420 HZ PHE 57 HZ PHE 57 -1.764 1.365 0.144 421 HA PRO 58 HA PRO 58 -1.880 8.583 -1.944 422 HB2 PRO 58 1HB PRO 58 -3.176 10.257 -0.217 423 HB3 PRO 58 2HB PRO 58 -3.070 10.554 -1.940 424 HG2 PRO 58 1HG PRO 58 -5.380 9.596 -0.363 425 HG3 PRO 58 2HG PRO 58 -5.361 10.295 -1.970 426 HD2 PRO 58 1HD PRO 58 -5.659 7.520 -1.309 427 HD3 PRO 58 2HD PRO 58 -5.525 8.207 -2.916 428 H SER 59 H SER 59 -0.270 7.980 -0.649 429 HA SER 59 HA SER 59 -1.124 6.488 1.665 430 HB2 SER 59 1HB SER 59 1.225 5.780 1.815 431 HB3 SER 59 2HB SER 59 0.625 5.543 0.186 432 HG SER 59 HG SER 59 1.699 8.073 0.452 433 H ASN 60 H ASN 60 0.225 9.608 0.725 434 HA ASN 60 HA ASN 60 1.636 10.380 2.859 435 HB2 ASN 60 1HB ASN 60 -0.364 11.862 1.110 436 HB3 ASN 60 2HB ASN 60 0.432 12.714 2.418 437 HD21 ASN 60 1HD2 ASN 60 0.738 13.418 -0.229 438 HD22 ASN 60 2HD2 ASN 60 2.366 13.135 -0.748 439 H TYR 61 H TYR 61 -1.897 9.921 2.547 440 HA TYR 61 HA TYR 61 -2.352 11.052 5.197 441 HB2 TYR 61 1HB TYR 61 -4.424 9.698 3.432 442 HB3 TYR 61 2HB TYR 61 -4.614 11.141 4.408 443 HD1 TYR 61 1HD TYR 61 -2.035 12.515 3.266 444 HD2 TYR 61 2HD TYR 61 -5.429 10.648 1.450 445 HE1 TYR 61 1HE TYR 61 -1.728 13.954 1.193 446 HE2 TYR 61 2HE TYR 61 -5.110 12.093 -0.617 447 HH TYR 61 HH TYR 61 -3.600 14.765 -0.729 448 H VAL 62 H VAL 62 -3.064 8.008 3.334 449 HA VAL 62 HA VAL 62 -4.168 6.485 5.226 450 HB VAL 62 HB VAL 62 -2.807 6.113 2.789 451 HG11 VAL 62 1HG1 VAL 62 -1.874 4.142 4.904 452 HG12 VAL 62 2HG1 VAL 62 -1.663 3.949 3.147 453 HG13 VAL 62 3HG1 VAL 62 -0.857 5.289 3.998 454 HG21 VAL 62 1HG2 VAL 62 -4.149 4.116 2.628 455 HG22 VAL 62 2HG2 VAL 62 -4.366 4.062 4.395 456 HG23 VAL 62 3HG2 VAL 62 -5.105 5.375 3.446 457 H ARG 63 H ARG 63 -3.596 5.339 7.078 458 HA ARG 63 HA ARG 63 -1.145 6.244 8.256 459 HB2 ARG 63 1HB ARG 63 -3.656 4.879 9.238 460 HB3 ARG 63 2HB ARG 63 -2.205 4.711 10.207 461 HG2 ARG 63 1HG ARG 63 -2.660 7.493 9.307 462 HG3 ARG 63 2HG ARG 63 -3.981 6.872 10.279 463 HD2 ARG 63 1HD ARG 63 -2.730 6.888 12.195 464 HD3 ARG 63 2HD ARG 63 -1.348 6.154 11.406 465 HE ARG 63 HE ARG 63 -1.488 8.797 10.423 466 HH11 ARG 63 2HH2 ARG 63 -1.030 7.216 13.533 467 HH12 ARG 63 1HH2 ARG 63 -0.079 8.505 14.193 468 HH21 ARG 63 2HH1 ARG 63 -0.234 10.498 11.292 469 HH22 ARG 63 1HH1 ARG 63 0.376 10.384 12.909 470 H GLU 64 H GLU 64 0.567 4.839 8.965 471 HA GLU 64 HA GLU 64 0.562 2.314 7.560 472 HB2 GLU 64 1HB GLU 64 2.518 3.627 7.135 473 HB3 GLU 64 2HB GLU 64 2.731 4.017 8.830 474 HG2 GLU 64 1HG GLU 64 3.999 2.166 9.154 475 HG3 GLU 64 2HG GLU 64 2.720 1.133 8.549 476 H ILE 65 H ILE 65 0.778 0.287 8.582 477 HA ILE 65 HA ILE 65 0.406 0.390 11.490 478 HB ILE 65 HB ILE 65 -0.435 -1.649 9.430 479 HG12 ILE 65 1HG1 ILE 65 -1.838 0.337 9.465 480 HG13 ILE 65 2HG1 ILE 65 -2.704 -1.042 10.109 481 HG21 ILE 65 1HG2 ILE 65 -1.474 -2.871 11.296 482 HG22 ILE 65 2HG2 ILE 65 0.300 -2.816 11.428 483 HG23 ILE 65 3HG2 ILE 65 -0.701 -1.755 12.447 484 HD11 ILE 65 1HD1 ILE 65 -3.147 0.191 11.956 485 HD12 ILE 65 2HD1 ILE 65 -1.413 0.110 12.354 486 HD13 ILE 65 3HD1 ILE 65 -2.047 1.481 11.412 487 H LYS 66 H LYS 66 2.088 -1.355 8.802 488 HA LYS 66 HA LYS 66 3.748 -2.764 10.663 489 HB2 LYS 66 1HB LYS 66 3.227 -3.960 8.714 490 HB3 LYS 66 2HB LYS 66 3.547 -2.596 7.662 491 HG2 LYS 66 1HG LYS 66 5.801 -3.012 7.591 492 HG3 LYS 66 2HG LYS 66 5.891 -3.371 9.304 493 HD2 LYS 66 1HD LYS 66 6.398 -5.358 7.829 494 HD3 LYS 66 2HD LYS 66 5.090 -5.642 8.961 495 HE2 LYS 66 1HE LYS 66 3.447 -5.636 7.293 496 HE3 LYS 66 2HE LYS 66 4.352 -4.560 6.248 497 HZ1 LYS 66 1HZ LYS 66 5.165 -6.311 5.224 498 HZ2 LYS 66 2HZ LYS 66 5.801 -6.914 6.601 499 HZ3 LYS 66 3HZ LYS 66 4.278 -7.310 6.163 500 H SER 67 H SER 67 5.099 -1.514 11.886 501 HA SER 67 HA SER 67 6.198 0.861 10.908 502 HB2 SER 67 1HB SER 67 6.375 -0.790 13.366 503 HB3 SER 67 2HB SER 67 7.831 0.123 13.027 504 HG SER 67 HG SER 67 6.341 1.356 14.320 505 H SER 68 H SER 68 7.049 -2.511 10.580 506 HA SER 68 HA SER 68 9.817 -2.105 10.229 507 HB2 SER 68 1HB SER 68 8.057 -4.308 10.473 508 HB3 SER 68 2HB SER 68 8.759 -4.476 8.876 509 HG SER 68 HG SER 68 10.555 -3.817 10.975 510 H GLU 69 H GLU 69 7.078 -1.309 8.362 511 HA GLU 69 HA GLU 69 8.519 -1.644 5.866 512 HB2 GLU 69 1HB GLU 69 5.631 -1.313 6.623 513 HB3 GLU 69 2HB GLU 69 6.123 -0.698 5.059 514 HG2 GLU 69 1HG GLU 69 6.823 -3.518 5.978 515 HG3 GLU 69 2HG GLU 69 5.321 -3.157 5.151 516 H ARG 70 H ARG 70 7.671 0.700 8.295 517 HA ARG 70 HA ARG 70 8.095 2.862 6.419 518 HB2 ARG 70 1HB ARG 70 6.224 3.397 7.752 519 HB3 ARG 70 2HB ARG 70 6.888 2.631 9.181 520 HG2 ARG 70 1HG ARG 70 6.935 5.072 9.463 521 HG3 ARG 70 2HG ARG 70 8.576 4.463 9.385 522 HD2 ARG 70 1HD ARG 70 9.013 5.792 7.598 523 HD3 ARG 70 2HD ARG 70 7.732 5.023 6.683 524 HE ARG 70 HE ARG 70 7.549 7.563 8.168 525 HH11 ARG 70 2HH2 ARG 70 5.785 4.967 6.577 526 HH12 ARG 70 1HH2 ARG 70 4.350 5.910 6.347 527 HH21 ARG 70 2HH1 ARG 70 5.658 8.807 7.865 528 HH22 ARG 70 1HH1 ARG 70 4.277 8.110 7.084 529 H SER 71 H SER 71 9.295 1.472 9.539 530 HA SER 71 HA SER 71 11.476 3.338 9.546 531 HB2 SER 71 1HB SER 71 10.061 2.036 11.540 532 HB3 SER 71 2HB SER 71 11.526 1.079 11.472 533 HG SER 71 HG SER 71 12.778 2.869 11.981 534 H GLY 72 H GLY 72 10.840 0.737 7.695 535 HA2 GLY 72 1HA GLY 72 13.483 -0.532 7.986 536 HA3 GLY 72 2HA GLY 72 12.083 -1.206 7.174 537 HA PRO 73 HA PRO 73 13.611 0.438 3.463 538 HB2 PRO 73 1HB PRO 73 11.370 0.403 1.898 539 HB3 PRO 73 2HB PRO 73 12.346 -1.019 2.207 540 HG2 PRO 73 1HG PRO 73 9.710 -0.298 3.335 541 HG3 PRO 73 2HG PRO 73 10.493 -1.865 3.291 542 HD2 PRO 73 1HD PRO 73 10.276 -0.119 5.555 543 HD3 PRO 73 2HD PRO 73 11.157 -1.631 5.479 544 H SER 74 H SER 74 14.070 2.317 2.374 545 HA SER 74 HA SER 74 14.081 4.470 2.099 546 HB2 SER 74 1HB SER 74 11.052 4.211 2.360 547 HB3 SER 74 2HB SER 74 11.873 5.633 1.751 548 HG SER 74 HG SER 74 11.045 3.766 0.229 549 H SER 75 H SER 75 13.511 6.707 3.141 550 HA SER 75 HA SER 75 13.292 8.015 4.871 551 HB2 SER 75 1HB SER 75 12.260 5.700 6.557 552 HB3 SER 75 2HB SER 75 12.006 7.413 6.833 553 HG SER 75 HG SER 75 10.742 7.497 4.863 554 H GLY 76 H GLY 76 15.240 8.666 5.701 555 HA2 GLY 76 1HA GLY 76 16.816 6.658 7.201 556 HA3 GLY 76 2HA GLY 76 17.516 7.877 6.155 Start of MODEL 20 1 H1 GLY 1 H GLY 1 15.481 -27.361 -4.353 2 HA2 GLY 1 1HA GLY 1 14.914 -25.616 -6.621 3 HA3 GLY 1 2HA GLY 1 13.961 -26.970 -6.048 4 H SER 2 H SER 2 14.780 -23.532 -5.527 5 HA SER 2 HA SER 2 12.233 -22.857 -4.803 6 HB2 SER 2 1HB SER 2 13.770 -23.956 -2.579 7 HB3 SER 2 2HB SER 2 13.370 -22.280 -2.262 8 HG SER 2 HG SER 2 11.310 -23.979 -3.281 9 H SER 3 H SER 3 12.058 -20.522 -4.396 10 HA SER 3 HA SER 3 14.352 -18.978 -3.979 11 HB2 SER 3 1HB SER 3 14.636 -19.750 -6.423 12 HB3 SER 3 2HB SER 3 13.236 -18.766 -6.803 13 HG SER 3 HG SER 3 15.743 -17.861 -5.670 14 H GLY 4 H GLY 4 13.774 -16.735 -3.628 15 HA2 GLY 4 1HA GLY 4 12.337 -15.185 -2.826 16 HA3 GLY 4 2HA GLY 4 11.582 -15.360 -4.398 17 H SER 5 H SER 5 11.449 -16.253 -0.964 18 HA SER 5 HA SER 5 8.664 -16.826 -1.310 19 HB2 SER 5 1HB SER 5 9.876 -19.040 -1.625 20 HB3 SER 5 2HB SER 5 10.472 -18.892 0.016 21 HG SER 5 HG SER 5 8.355 -20.140 -0.472 22 H SER 6 H SER 6 8.563 -14.802 -0.075 23 HA SER 6 HA SER 6 8.412 -15.274 2.673 24 HB2 SER 6 1HB SER 6 10.895 -15.017 2.498 25 HB3 SER 6 2HB SER 6 10.676 -13.430 1.789 26 HG SER 6 HG SER 6 10.356 -14.275 4.475 27 H GLY 7 H GLY 7 7.663 -13.227 3.845 28 HA2 GLY 7 1HA GLY 7 5.665 -11.922 2.440 29 HA3 GLY 7 2HA GLY 7 6.357 -11.403 3.964 30 H SER 8 H SER 8 5.699 -10.335 0.917 31 HA SER 8 HA SER 8 7.298 -8.085 1.191 32 HB2 SER 8 1HB SER 8 8.726 -8.399 -0.881 33 HB3 SER 8 2HB SER 8 9.190 -9.397 0.484 34 HG SER 8 HG SER 8 7.302 -10.668 -1.110 35 H HIS 9 H HIS 9 6.967 -6.560 -0.717 36 HA HIS 9 HA HIS 9 5.690 -5.599 -2.219 37 HB2 HIS 9 1HB HIS 9 5.227 -8.471 -3.001 38 HB3 HIS 9 2HB HIS 9 4.381 -7.173 -3.820 39 HD1 HIS 9 1HD HIS 9 7.807 -8.678 -3.388 40 HD2 HIS 9 2HD HIS 9 5.974 -5.562 -5.517 41 HE1 HIS 9 1HE HIS 9 9.509 -7.899 -5.122 42 H GLN 10 H GLN 10 4.750 -6.126 0.515 43 HA GLN 10 HA GLN 10 2.002 -5.529 0.010 44 HB2 GLN 10 1HB GLN 10 2.542 -8.184 0.465 45 HB3 GLN 10 2HB GLN 10 2.293 -7.627 2.108 46 HG2 GLN 10 1HG GLN 10 0.077 -6.772 1.574 47 HG3 GLN 10 2HG GLN 10 0.336 -6.998 -0.145 48 HE21 GLN 10 1HE2 GLN 10 -1.777 -8.040 1.491 49 HE22 GLN 10 2HE2 GLN 10 -1.730 -9.770 1.404 50 H LEU 11 H LEU 11 1.784 -3.652 1.147 51 HA LEU 11 HA LEU 11 3.119 -3.538 3.762 52 HB2 LEU 11 1HB LEU 11 3.567 -1.937 1.594 53 HB3 LEU 11 2HB LEU 11 2.358 -1.012 2.462 54 HG LEU 11 HG LEU 11 5.033 -1.942 3.539 55 HD11 LEU 11 1HD1 LEU 11 5.161 0.694 3.783 56 HD12 LEU 11 2HD1 LEU 11 5.607 -0.133 2.271 57 HD13 LEU 11 3HD1 LEU 11 4.008 0.633 2.427 58 HD21 LEU 11 1HD2 LEU 11 4.498 -0.723 5.581 59 HD22 LEU 11 2HD2 LEU 11 2.883 -0.334 4.945 60 HD23 LEU 11 3HD2 LEU 11 3.319 -2.024 5.291 61 H ILE 12 H ILE 12 1.802 -3.507 5.500 62 HA ILE 12 HA ILE 12 -1.033 -3.211 5.020 63 HB ILE 12 HB ILE 12 0.650 -4.082 7.354 64 HG12 ILE 12 1HG1 ILE 12 -1.363 -5.943 6.715 65 HG13 ILE 12 2HG1 ILE 12 -0.739 -5.392 5.173 66 HG21 ILE 12 1HG2 ILE 12 -0.926 -3.515 8.805 67 HG22 ILE 12 2HG2 ILE 12 -1.910 -2.811 7.501 68 HG23 ILE 12 3HG2 ILE 12 -2.092 -4.531 7.924 69 HD11 ILE 12 1HD1 ILE 12 0.534 -7.348 6.088 70 HD12 ILE 12 2HD1 ILE 12 1.565 -5.917 5.856 71 HD13 ILE 12 3HD1 ILE 12 1.005 -6.355 7.488 72 H VAL 13 H VAL 13 -1.980 -1.250 5.029 73 HA VAL 13 HA VAL 13 -1.038 0.666 7.027 74 HB VAL 13 HB VAL 13 -1.203 2.463 5.344 75 HG11 VAL 13 1HG1 VAL 13 0.860 1.389 3.918 76 HG12 VAL 13 2HG1 VAL 13 1.013 2.077 5.554 77 HG13 VAL 13 3HG1 VAL 13 0.834 0.318 5.340 78 HG21 VAL 13 1HG2 VAL 13 -0.961 0.605 3.052 79 HG22 VAL 13 2HG2 VAL 13 -2.574 0.686 3.800 80 HG23 VAL 13 3HG2 VAL 13 -1.804 2.167 3.184 81 H LYS 14 H LYS 14 -2.686 1.907 7.951 82 HA LYS 14 HA LYS 14 -5.361 0.980 7.264 83 HB2 LYS 14 1HB LYS 14 -4.258 1.024 9.651 84 HB3 LYS 14 2HB LYS 14 -4.713 2.717 9.629 85 HG2 LYS 14 1HG LYS 14 -6.673 1.836 10.496 86 HG3 LYS 14 2HG LYS 14 -7.066 1.732 8.791 87 HD2 LYS 14 1HD LYS 14 -7.214 -0.527 8.915 88 HD3 LYS 14 2HD LYS 14 -5.572 -0.638 9.518 89 HE2 LYS 14 1HE LYS 14 -6.397 -1.262 11.535 90 HE3 LYS 14 2HE LYS 14 -7.097 0.335 11.711 91 HZ1 LYS 14 1HZ LYS 14 -9.056 -0.617 11.542 92 HZ2 LYS 14 2HZ LYS 14 -8.736 -1.069 10.007 93 HZ3 LYS 14 3HZ LYS 14 -8.403 -2.083 11.242 94 H ALA 15 H ALA 15 -7.137 2.537 7.033 95 HA ALA 15 HA ALA 15 -6.240 4.818 5.504 96 HB1 ALA 15 1HB ALA 15 -8.927 4.970 5.431 97 HB2 ALA 15 2HB ALA 15 -8.007 3.844 4.403 98 HB3 ALA 15 3HB ALA 15 -8.764 3.262 5.905 99 H ARG 16 H ARG 16 -6.917 7.020 5.944 100 HA ARG 16 HA ARG 16 -6.793 7.561 8.712 101 HB2 ARG 16 1HB ARG 16 -5.814 8.947 6.729 102 HB3 ARG 16 2HB ARG 16 -7.436 9.573 6.511 103 HG2 ARG 16 1HG ARG 16 -7.201 11.008 8.255 104 HG3 ARG 16 2HG ARG 16 -6.712 9.713 9.331 105 HD2 ARG 16 1HD ARG 16 -4.682 10.647 7.313 106 HD3 ARG 16 2HD ARG 16 -5.042 11.734 8.641 107 HE ARG 16 HE ARG 16 -3.605 9.204 8.811 108 HH11 ARG 16 2HH2 ARG 16 -5.626 11.447 10.618 109 HH12 ARG 16 1HH2 ARG 16 -5.027 10.942 12.163 110 HH21 ARG 16 2HH1 ARG 16 -2.814 8.537 10.850 111 HH22 ARG 16 1HH1 ARG 16 -3.417 9.277 12.295 112 H PHE 17 H PHE 17 -9.175 8.531 6.121 113 HA PHE 17 HA PHE 17 -11.336 7.976 7.970 114 HB2 PHE 17 1HB PHE 17 -12.242 10.284 7.623 115 HB3 PHE 17 2HB PHE 17 -10.643 10.377 8.335 116 HD1 PHE 17 1HD PHE 17 -8.718 11.092 6.970 117 HD2 PHE 17 2HD PHE 17 -12.659 11.090 5.396 118 HE1 PHE 17 1HE PHE 17 -7.969 12.581 5.093 119 HE2 PHE 17 2HE PHE 17 -11.910 12.579 3.520 120 HZ PHE 17 HZ PHE 17 -9.574 13.307 3.391 121 H ASN 18 H ASN 18 -13.451 9.084 6.539 122 HA ASN 18 HA ASN 18 -13.874 7.221 4.614 123 HB2 ASN 18 1HB ASN 18 -15.448 9.049 5.788 124 HB3 ASN 18 2HB ASN 18 -15.118 9.974 4.338 125 HD21 ASN 18 1HD2 ASN 18 -17.616 8.876 5.252 126 HD22 ASN 18 2HD2 ASN 18 -18.207 7.792 4.036 127 H PHE 19 H PHE 19 -12.568 6.966 2.780 128 HA PHE 19 HA PHE 19 -11.835 9.421 1.347 129 HB2 PHE 19 1HB PHE 19 -9.901 8.171 2.264 130 HB3 PHE 19 2HB PHE 19 -10.550 6.651 1.680 131 HD1 PHE 19 1HD PHE 19 -10.503 6.134 -0.742 132 HD2 PHE 19 2HD PHE 19 -8.648 9.614 0.823 133 HE1 PHE 19 1HE PHE 19 -9.178 6.379 -2.860 134 HE2 PHE 19 2HE PHE 19 -7.323 9.860 -1.294 135 HZ PHE 19 HZ PHE 19 -7.603 8.240 -3.110 136 H LYS 20 H LYS 20 -13.059 9.706 -0.456 137 HA LYS 20 HA LYS 20 -14.188 7.338 -1.717 138 HB2 LYS 20 1HB LYS 20 -15.636 9.275 -1.091 139 HB3 LYS 20 2HB LYS 20 -14.755 10.271 -2.232 140 HG2 LYS 20 1HG LYS 20 -15.432 7.952 -3.704 141 HG3 LYS 20 2HG LYS 20 -16.857 8.285 -2.740 142 HD2 LYS 20 1HD LYS 20 -16.936 10.608 -3.579 143 HD3 LYS 20 2HD LYS 20 -15.436 10.376 -4.455 144 HE2 LYS 20 1HE LYS 20 -16.864 9.905 -6.202 145 HE3 LYS 20 2HE LYS 20 -16.839 8.299 -5.504 146 HZ1 LYS 20 1HZ LYS 20 -19.072 9.087 -5.860 147 HZ2 LYS 20 2HZ LYS 20 -18.811 8.860 -4.265 148 HZ3 LYS 20 3HZ LYS 20 -18.827 10.372 -4.883 149 H GLN 21 H GLN 21 -13.528 6.553 -3.675 150 HA GLN 21 HA GLN 21 -11.076 7.542 -4.658 151 HB2 GLN 21 1HB GLN 21 -11.256 5.714 -6.296 152 HB3 GLN 21 2HB GLN 21 -11.657 5.135 -4.691 153 HG2 GLN 21 1HG GLN 21 -14.139 5.650 -5.327 154 HG3 GLN 21 2HG GLN 21 -13.562 5.771 -6.977 155 HE21 GLN 21 1HE2 GLN 21 -11.637 3.874 -7.130 156 HE22 GLN 21 2HE2 GLN 21 -12.292 2.286 -6.913 157 H THR 22 H THR 22 -10.630 8.520 -6.724 158 HA THR 22 HA THR 22 -12.718 10.284 -7.594 159 HB THR 22 HB THR 22 -10.326 10.973 -7.374 160 HG1 THR 22 1HG THR 22 -11.677 11.989 -9.002 161 HG21 THR 22 1HG2 THR 22 -8.715 10.208 -9.127 162 HG22 THR 22 2HG2 THR 22 -9.217 8.848 -8.094 163 HG23 THR 22 3HG2 THR 22 -9.921 9.039 -9.717 164 H ASN 23 H ASN 23 -11.775 7.064 -8.365 165 HA ASN 23 HA ASN 23 -13.762 6.956 -10.342 166 HB2 ASN 23 1HB ASN 23 -10.880 7.176 -11.185 167 HB3 ASN 23 2HB ASN 23 -11.832 5.956 -12.008 168 HD21 ASN 23 1HD2 ASN 23 -10.883 9.116 -12.012 169 HD22 ASN 23 2HD2 ASN 23 -12.094 9.826 -13.027 170 H GLU 24 H GLU 24 -13.902 4.610 -11.208 171 HA GLU 24 HA GLU 24 -13.500 2.838 -9.112 172 HB2 GLU 24 1HB GLU 24 -14.309 1.122 -10.686 173 HB3 GLU 24 2HB GLU 24 -15.277 2.577 -10.811 174 HG2 GLU 24 1HG GLU 24 -12.918 2.526 -12.626 175 HG3 GLU 24 2HG GLU 24 -14.099 1.273 -12.952 176 H ASP 25 H ASP 25 -11.385 3.975 -11.632 177 HA ASP 25 HA ASP 25 -9.812 1.727 -11.967 178 HB2 ASP 25 1HB ASP 25 -9.763 4.536 -12.675 179 HB3 ASP 25 2HB ASP 25 -8.171 4.088 -12.096 180 H GLU 26 H GLU 26 -9.650 4.562 -9.709 181 HA GLU 26 HA GLU 26 -7.286 3.598 -8.472 182 HB2 GLU 26 1HB GLU 26 -8.549 6.056 -8.644 183 HB3 GLU 26 2HB GLU 26 -8.921 5.589 -6.997 184 HG2 GLU 26 1HG GLU 26 -6.856 6.453 -6.519 185 HG3 GLU 26 2HG GLU 26 -6.263 4.906 -7.094 186 H LEU 27 H LEU 27 -7.510 3.712 -5.793 187 HA LEU 27 HA LEU 27 -9.390 1.552 -5.241 188 HB2 LEU 27 1HB LEU 27 -6.778 1.688 -4.745 189 HB3 LEU 27 2HB LEU 27 -7.345 2.462 -3.279 190 HG LEU 27 HG LEU 27 -8.711 -0.073 -3.974 191 HD11 LEU 27 1HD1 LEU 27 -6.220 -0.351 -4.592 192 HD12 LEU 27 2HD1 LEU 27 -5.932 -0.284 -2.836 193 HD13 LEU 27 3HD1 LEU 27 -6.975 -1.555 -3.519 194 HD21 LEU 27 1HD2 LEU 27 -7.564 1.131 -1.444 195 HD22 LEU 27 2HD2 LEU 27 -9.276 1.020 -1.923 196 HD23 LEU 27 3HD2 LEU 27 -8.366 -0.456 -1.526 197 H SER 28 H SER 28 -10.611 1.602 -3.162 198 HA SER 28 HA SER 28 -11.125 4.337 -2.316 199 HB2 SER 28 1HB SER 28 -12.959 3.922 -3.782 200 HB3 SER 28 2HB SER 28 -13.135 2.265 -3.244 201 HG SER 28 HG SER 28 -13.454 4.319 -1.292 202 H VAL 29 H VAL 29 -11.481 4.565 -0.075 203 HA VAL 29 HA VAL 29 -11.808 2.110 1.467 204 HB VAL 29 HB VAL 29 -10.034 3.364 3.032 205 HG11 VAL 29 1HG1 VAL 29 -9.228 1.544 0.738 206 HG12 VAL 29 2HG1 VAL 29 -8.383 1.750 2.291 207 HG13 VAL 29 3HG1 VAL 29 -9.998 1.001 2.248 208 HG21 VAL 29 1HG2 VAL 29 -9.828 4.981 0.868 209 HG22 VAL 29 2HG2 VAL 29 -8.494 4.674 2.006 210 HG23 VAL 29 3HG2 VAL 29 -8.583 3.772 0.474 211 H CYS 30 H CYS 30 -12.211 2.759 3.885 212 HA CYS 30 HA CYS 30 -13.722 5.268 3.894 213 HB2 CYS 30 1HB CYS 30 -14.653 2.520 4.496 214 HB3 CYS 30 2HB CYS 30 -15.114 3.732 5.675 215 HG CYS 30 HG CYS 30 -15.306 4.262 2.424 216 H LYS 31 H LYS 31 -13.042 2.659 6.326 217 HA LYS 31 HA LYS 31 -11.032 4.220 7.619 218 HB2 LYS 31 1HB LYS 31 -13.403 5.184 8.262 219 HB3 LYS 31 2HB LYS 31 -13.468 3.788 9.320 220 HG2 LYS 31 1HG LYS 31 -11.742 4.549 10.678 221 HG3 LYS 31 2HG LYS 31 -10.911 5.356 9.362 222 HD2 LYS 31 1HD LYS 31 -11.722 7.237 10.432 223 HD3 LYS 31 2HD LYS 31 -13.112 6.916 9.413 224 HE2 LYS 31 1HE LYS 31 -14.397 6.684 11.266 225 HE3 LYS 31 2HE LYS 31 -13.455 5.282 11.730 226 HZ1 LYS 31 1HZ LYS 31 -12.882 8.075 12.427 227 HZ2 LYS 31 2HZ LYS 31 -13.331 6.879 13.444 228 HZ3 LYS 31 3HZ LYS 31 -11.859 6.841 12.738 229 H GLY 32 H GLY 32 -9.781 2.942 9.013 230 HA2 GLY 32 1HA GLY 32 -8.834 0.944 9.526 231 HA3 GLY 32 2HA GLY 32 -10.350 0.711 10.375 232 H ASP 33 H ASP 33 -9.314 0.689 6.881 233 HA ASP 33 HA ASP 33 -10.922 -1.708 6.591 234 HB2 ASP 33 1HB ASP 33 -9.824 0.367 4.666 235 HB3 ASP 33 2HB ASP 33 -10.330 -1.199 4.063 236 H ILE 34 H ILE 34 -7.644 -0.359 6.517 237 HA ILE 34 HA ILE 34 -5.645 -1.287 6.381 238 HB ILE 34 HB ILE 34 -7.358 -3.556 7.122 239 HG12 ILE 34 1HG1 ILE 34 -6.343 -2.303 8.859 240 HG13 ILE 34 2HG1 ILE 34 -5.506 -3.841 8.800 241 HG21 ILE 34 1HG2 ILE 34 -6.330 -4.818 5.460 242 HG22 ILE 34 2HG2 ILE 34 -4.772 -3.976 5.640 243 HG23 ILE 34 3HG2 ILE 34 -5.315 -5.119 6.891 244 HD11 ILE 34 1HD1 ILE 34 -3.696 -2.372 8.903 245 HD12 ILE 34 2HD1 ILE 34 -3.869 -2.543 7.140 246 HD13 ILE 34 3HD1 ILE 34 -4.532 -1.112 7.964 247 H ILE 35 H ILE 35 -4.605 -0.935 4.500 248 HA ILE 35 HA ILE 35 -5.576 -2.432 2.167 249 HB ILE 35 HB ILE 35 -4.199 0.253 2.174 250 HG12 ILE 35 1HG1 ILE 35 -6.902 0.453 1.304 251 HG13 ILE 35 2HG1 ILE 35 -6.919 -0.388 2.842 252 HG21 ILE 35 1HG2 ILE 35 -5.028 0.341 -0.167 253 HG22 ILE 35 2HG2 ILE 35 -3.840 -0.953 0.122 254 HG23 ILE 35 3HG2 ILE 35 -5.572 -1.346 -0.003 255 HD11 ILE 35 1HD1 ILE 35 -5.136 1.539 3.485 256 HD12 ILE 35 2HD1 ILE 35 -6.028 2.406 2.212 257 HD13 ILE 35 3HD1 ILE 35 -6.893 1.784 3.637 258 H TYR 36 H TYR 36 -3.977 -3.294 0.716 259 HA TYR 36 HA TYR 36 -1.391 -3.670 2.061 260 HB2 TYR 36 1HB TYR 36 -2.991 -5.229 -0.064 261 HB3 TYR 36 2HB TYR 36 -1.411 -5.729 0.504 262 HD1 TYR 36 2HD TYR 36 -1.566 -5.364 3.405 263 HD2 TYR 36 1HD TYR 36 -4.531 -6.809 0.680 264 HE1 TYR 36 2HE TYR 36 -2.664 -6.676 5.285 265 HE2 TYR 36 1HE TYR 36 -5.619 -8.117 2.569 266 HH TYR 36 HH TYR 36 -4.355 -9.056 5.068 267 H VAL 37 H VAL 37 0.153 -2.332 1.251 268 HA VAL 37 HA VAL 37 -0.073 -1.389 -1.460 269 HB VAL 37 HB VAL 37 2.188 -0.940 0.483 270 HG11 VAL 37 1HG1 VAL 37 2.525 1.118 -0.722 271 HG12 VAL 37 2HG1 VAL 37 2.444 -0.213 -1.901 272 HG13 VAL 37 3HG1 VAL 37 1.043 0.862 -1.674 273 HG21 VAL 37 1HG2 VAL 37 -0.563 -0.267 0.884 274 HG22 VAL 37 2HG2 VAL 37 0.847 0.155 1.885 275 HG23 VAL 37 3HG2 VAL 37 0.340 1.233 0.563 276 H THR 38 H THR 38 0.738 -2.432 -3.200 277 HA THR 38 HA THR 38 2.825 -4.443 -2.687 278 HB THR 38 HB THR 38 0.825 -5.481 -3.559 279 HG1 THR 38 1HG THR 38 2.401 -6.316 -4.895 280 HG21 THR 38 1HG2 THR 38 0.863 -3.288 -5.700 281 HG22 THR 38 2HG2 THR 38 -0.240 -4.686 -5.678 282 HG23 THR 38 3HG2 THR 38 -0.352 -3.442 -4.409 283 H ARG 39 H ARG 39 1.785 -1.808 -4.924 284 HA ARG 39 HA ARG 39 4.040 -1.961 -6.507 285 HB2 ARG 39 1HB ARG 39 2.003 -0.720 -7.168 286 HB3 ARG 39 2HB ARG 39 2.229 0.417 -5.854 287 HG2 ARG 39 1HG ARG 39 3.685 1.662 -7.074 288 HG3 ARG 39 2HG ARG 39 4.665 0.259 -7.453 289 HD2 ARG 39 1HD ARG 39 2.062 0.932 -8.904 290 HD3 ARG 39 2HD ARG 39 3.641 1.424 -9.479 291 HE ARG 39 HE ARG 39 3.602 -1.419 -8.941 292 HH11 ARG 39 2HH2 ARG 39 2.551 0.985 -11.286 293 HH12 ARG 39 1HH2 ARG 39 2.541 -0.127 -12.613 294 HH21 ARG 39 2HH1 ARG 39 3.591 -2.888 -10.693 295 HH22 ARG 39 1HH1 ARG 39 3.137 -2.345 -12.274 296 H VAL 40 H VAL 40 3.273 0.812 -4.277 297 HA VAL 40 HA VAL 40 4.527 1.983 -2.882 298 HB VAL 40 HB VAL 40 6.471 -0.329 -3.027 299 HG11 VAL 40 1HG1 VAL 40 6.659 0.771 -0.507 300 HG12 VAL 40 2HG1 VAL 40 7.784 1.069 -1.854 301 HG13 VAL 40 3HG1 VAL 40 6.452 2.207 -1.539 302 HG21 VAL 40 1HG2 VAL 40 5.373 -1.194 -1.036 303 HG22 VAL 40 2HG2 VAL 40 4.237 0.176 -1.033 304 HG23 VAL 40 3HG2 VAL 40 4.187 -1.018 -2.352 305 H GLU 41 H GLU 41 4.712 3.558 -4.602 306 HA GLU 41 HA GLU 41 7.429 3.605 -5.660 307 HB2 GLU 41 1HB GLU 41 4.853 4.361 -7.104 308 HB3 GLU 41 2HB GLU 41 6.449 4.766 -7.704 309 HG2 GLU 41 1HG GLU 41 5.695 1.899 -7.007 310 HG3 GLU 41 2HG GLU 41 5.344 2.578 -8.585 311 H GLU 42 H GLU 42 7.771 6.056 -6.617 312 HA GLU 42 HA GLU 42 7.031 7.733 -4.359 313 HB2 GLU 42 1HB GLU 42 8.989 9.092 -4.924 314 HB3 GLU 42 2HB GLU 42 9.464 7.412 -4.779 315 HG2 GLU 42 1HG GLU 42 9.692 7.133 -7.129 316 HG3 GLU 42 2HG GLU 42 8.677 8.515 -7.492 317 H GLY 43 H GLY 43 6.247 7.079 -7.612 318 HA2 GLY 43 1HA GLY 43 5.937 9.325 -9.008 319 HA3 GLY 43 2HA GLY 43 4.685 8.103 -8.911 320 H GLY 44 H GLY 44 4.242 8.533 -5.959 321 HA2 GLY 44 1HA GLY 44 3.687 10.712 -4.788 322 HA3 GLY 44 2HA GLY 44 2.703 11.043 -6.200 323 H TRP 45 H TRP 45 1.832 8.267 -6.671 324 HA TRP 45 HA TRP 45 -0.093 8.112 -4.472 325 HB2 TRP 45 1HB TRP 45 -0.160 7.068 -7.306 326 HB3 TRP 45 2HB TRP 45 -1.367 6.682 -6.095 327 HD1 TRP 45 HD TRP 45 0.123 9.991 -7.581 328 HE1 TRP 45 1HE TRP 45 -1.778 11.796 -7.883 329 HE3 TRP 45 3HE TRP 45 -3.618 7.140 -5.646 330 HZ2 TRP 45 2HZ TRP 45 -4.570 11.829 -7.293 331 HZ3 TRP 45 3HZ TRP 45 -5.901 8.134 -5.545 332 HH2 TRP 45 HH TRP 45 -6.407 10.393 -6.330 333 H TRP 46 H TRP 46 -0.840 5.627 -4.197 334 HA TRP 46 HA TRP 46 1.528 3.911 -4.277 335 HB2 TRP 46 1HB TRP 46 0.401 5.101 -1.905 336 HB3 TRP 46 2HB TRP 46 0.219 3.359 -1.846 337 HD1 TRP 46 HD TRP 46 3.328 4.672 -3.644 338 HE1 TRP 46 1HE TRP 46 5.528 4.188 -2.268 339 HE3 TRP 46 3HE TRP 46 0.971 3.116 0.584 340 HZ2 TRP 46 2HZ TRP 46 6.024 3.231 0.373 341 HZ3 TRP 46 3HZ TRP 46 2.387 2.423 2.515 342 HH2 TRP 46 HH TRP 46 4.830 2.463 2.458 343 H GLU 47 H GLU 47 0.958 1.999 -5.228 344 HA GLU 47 HA GLU 47 -1.873 1.487 -5.487 345 HB2 GLU 47 1HB GLU 47 -0.940 1.235 -7.594 346 HB3 GLU 47 2HB GLU 47 0.603 0.686 -6.973 347 HG2 GLU 47 1HG GLU 47 -0.390 -1.516 -6.383 348 HG3 GLU 47 2HG GLU 47 -1.963 -0.972 -6.931 349 H GLY 48 H GLY 48 -2.877 0.135 -4.068 350 HA2 GLY 48 1HA GLY 48 -1.300 -2.108 -2.970 351 HA3 GLY 48 2HA GLY 48 -2.259 -1.072 -1.931 352 H THR 49 H THR 49 -3.412 -3.120 -1.357 353 HA THR 49 HA THR 49 -5.663 -3.493 -3.173 354 HB THR 49 HB THR 49 -3.558 -5.531 -2.454 355 HG1 THR 49 1HG THR 49 -5.529 -5.083 -4.586 356 HG21 THR 49 1HG2 THR 49 -5.256 -6.872 -1.557 357 HG22 THR 49 2HG2 THR 49 -6.542 -5.988 -2.413 358 HG23 THR 49 3HG2 THR 49 -5.540 -7.170 -3.289 359 H LEU 50 H LEU 50 -7.596 -3.775 -2.153 360 HA LEU 50 HA LEU 50 -7.420 -3.957 0.775 361 HB2 LEU 50 1HB LEU 50 -8.082 -1.744 0.075 362 HB3 LEU 50 2HB LEU 50 -9.338 -2.397 -0.959 363 HG LEU 50 HG LEU 50 -10.546 -3.238 1.014 364 HD11 LEU 50 1HD1 LEU 50 -8.384 -3.459 2.388 365 HD12 LEU 50 2HD1 LEU 50 -8.619 -1.739 2.782 366 HD13 LEU 50 3HD1 LEU 50 -9.863 -2.932 3.227 367 HD21 LEU 50 1HD2 LEU 50 -10.857 -0.824 2.082 368 HD22 LEU 50 2HD2 LEU 50 -9.913 -0.347 0.650 369 HD23 LEU 50 3HD2 LEU 50 -11.449 -1.225 0.453 370 H ASN 51 H ASN 51 -9.581 -4.818 1.736 371 HA ASN 51 HA ASN 51 -9.884 -7.374 1.112 372 HB2 ASN 51 1HB ASN 51 -11.862 -5.337 2.199 373 HB3 ASN 51 2HB ASN 51 -12.385 -6.991 1.958 374 HD21 ASN 51 1HD2 ASN 51 -10.992 -4.839 4.060 375 HD22 ASN 51 2HD2 ASN 51 -10.269 -5.921 5.203 376 H GLY 52 H GLY 52 -9.982 -7.891 -1.151 377 HA2 GLY 52 1HA GLY 52 -10.969 -8.295 -3.129 378 HA3 GLY 52 2HA GLY 52 -12.509 -7.925 -2.379 379 H ARG 53 H ARG 53 -9.700 -5.683 -2.604 380 HA ARG 53 HA ARG 53 -11.156 -4.216 -4.632 381 HB2 ARG 53 1HB ARG 53 -10.870 -3.408 -1.870 382 HB3 ARG 53 2HB ARG 53 -9.907 -2.317 -2.844 383 HG2 ARG 53 1HG ARG 53 -11.938 -2.018 -4.369 384 HG3 ARG 53 2HG ARG 53 -12.871 -2.947 -3.213 385 HD2 ARG 53 1HD ARG 53 -12.122 -1.255 -1.419 386 HD3 ARG 53 2HD ARG 53 -11.472 -0.279 -2.721 387 HE ARG 53 HE ARG 53 -14.261 -0.539 -2.009 388 HH11 ARG 53 2HH2 ARG 53 -12.134 -0.130 -4.782 389 HH12 ARG 53 1HH2 ARG 53 -13.336 0.657 -5.750 390 HH21 ARG 53 2HH1 ARG 53 -15.848 0.499 -3.286 391 HH22 ARG 53 1HH1 ARG 53 -15.463 1.017 -4.893 392 H THR 54 H THR 54 -9.651 -2.335 -5.509 393 HA THR 54 HA THR 54 -6.840 -2.689 -5.114 394 HB THR 54 HB THR 54 -7.680 -4.643 -6.658 395 HG1 THR 54 1HG THR 54 -5.659 -4.302 -7.802 396 HG21 THR 54 1HG2 THR 54 -7.703 -3.971 -9.075 397 HG22 THR 54 2HG2 THR 54 -9.091 -3.281 -8.200 398 HG23 THR 54 3HG2 THR 54 -7.684 -2.260 -8.586 399 H GLY 55 H GLY 55 -5.604 -1.273 -6.794 400 HA2 GLY 55 1HA GLY 55 -6.063 0.592 -8.374 401 HA3 GLY 55 2HA GLY 55 -7.237 1.162 -7.205 402 H TRP 56 H TRP 56 -5.650 3.123 -7.542 403 HA TRP 56 HA TRP 56 -3.316 2.832 -5.800 404 HB2 TRP 56 1HB TRP 56 -4.081 4.922 -7.841 405 HB3 TRP 56 2HB TRP 56 -2.712 5.076 -6.758 406 HD1 TRP 56 HD TRP 56 -3.910 2.351 -9.313 407 HE1 TRP 56 1HE TRP 56 -1.853 1.389 -10.656 408 HE3 TRP 56 3HE TRP 56 -0.383 5.127 -6.924 409 HZ2 TRP 56 2HZ TRP 56 0.956 1.886 -10.572 410 HZ3 TRP 56 3HZ TRP 56 1.994 4.828 -7.616 411 HH2 TRP 56 HH TRP 56 2.685 3.275 -9.371 412 H PHE 57 H PHE 57 -2.937 5.054 -4.511 413 HA PHE 57 HA PHE 57 -5.127 6.585 -3.764 414 HB2 PHE 57 1HB PHE 57 -5.592 5.527 -1.537 415 HB3 PHE 57 2HB PHE 57 -5.916 4.383 -2.825 416 HD1 PHE 57 1HD PHE 57 -4.415 2.482 -3.208 417 HD2 PHE 57 2HD PHE 57 -3.761 5.184 -0.001 418 HE1 PHE 57 1HE PHE 57 -2.857 0.831 -2.134 419 HE2 PHE 57 2HE PHE 57 -2.202 3.534 1.072 420 HZ PHE 57 HZ PHE 57 -1.771 1.378 -0.007 421 HA PRO 58 HA PRO 58 -1.903 8.635 -1.725 422 HB2 PRO 58 1HB PRO 58 -3.206 10.152 0.138 423 HB3 PRO 58 2HB PRO 58 -3.115 10.586 -1.558 424 HG2 PRO 58 1HG PRO 58 -5.403 9.480 -0.048 425 HG3 PRO 58 2HG PRO 58 -5.404 10.304 -1.594 426 HD2 PRO 58 1HD PRO 58 -5.665 7.482 -1.154 427 HD3 PRO 58 2HD PRO 58 -5.550 8.295 -2.703 428 H SER 59 H SER 59 -0.335 7.614 -0.660 429 HA SER 59 HA SER 59 -1.133 6.030 1.562 430 HB2 SER 59 1HB SER 59 0.603 5.051 0.314 431 HB3 SER 59 2HB SER 59 1.449 6.570 0.095 432 HG SER 59 HG SER 59 1.170 5.281 2.670 433 H ASN 60 H ASN 60 -0.171 9.313 1.020 434 HA ASN 60 HA ASN 60 1.192 9.740 3.425 435 HB2 ASN 60 1HB ASN 60 0.349 11.276 1.122 436 HB3 ASN 60 2HB ASN 60 -0.182 12.140 2.552 437 HD21 ASN 60 1HD2 ASN 60 1.208 13.349 3.613 438 HD22 ASN 60 2HD2 ASN 60 2.931 13.352 3.433 439 H TYR 61 H TYR 61 -2.216 9.670 2.381 440 HA TYR 61 HA TYR 61 -3.210 10.993 4.725 441 HB2 TYR 61 1HB TYR 61 -4.318 9.352 2.372 442 HB3 TYR 61 2HB TYR 61 -5.385 9.966 3.619 443 HD1 TYR 61 1HD TYR 61 -2.555 11.379 1.579 444 HD2 TYR 61 2HD TYR 61 -6.570 11.845 2.981 445 HE1 TYR 61 1HE TYR 61 -2.738 13.591 0.340 446 HE2 TYR 61 2HE TYR 61 -6.740 14.056 1.737 447 HH TYR 61 HH TYR 61 -5.041 15.825 0.974 448 H VAL 62 H VAL 62 -3.299 7.600 3.418 449 HA VAL 62 HA VAL 62 -4.501 6.581 5.770 450 HB VAL 62 HB VAL 62 -4.469 4.565 4.690 451 HG11 VAL 62 1HG1 VAL 62 -4.004 5.864 2.090 452 HG12 VAL 62 2HG1 VAL 62 -5.459 5.068 2.734 453 HG13 VAL 62 3HG1 VAL 62 -5.109 6.761 3.160 454 HG21 VAL 62 1HG2 VAL 62 -2.757 3.908 2.979 455 HG22 VAL 62 2HG2 VAL 62 -1.885 5.415 3.344 456 HG23 VAL 62 3HG2 VAL 62 -2.094 4.179 4.608 457 H ARG 63 H ARG 63 -3.594 5.583 7.574 458 HA ARG 63 HA ARG 63 -0.884 6.313 8.039 459 HB2 ARG 63 1HB ARG 63 -2.875 6.362 9.730 460 HB3 ARG 63 2HB ARG 63 -2.647 4.631 9.873 461 HG2 ARG 63 1HG ARG 63 -0.402 4.889 10.726 462 HG3 ARG 63 2HG ARG 63 -0.336 6.576 10.257 463 HD2 ARG 63 1HD ARG 63 -1.209 7.205 12.257 464 HD3 ARG 63 2HD ARG 63 -2.634 6.224 11.979 465 HE ARG 63 HE ARG 63 -0.303 4.656 12.813 466 HH11 ARG 63 2HH2 ARG 63 -3.056 6.541 13.931 467 HH12 ARG 63 1HH2 ARG 63 -3.114 5.772 15.483 468 HH21 ARG 63 2HH1 ARG 63 -0.379 3.641 14.859 469 HH22 ARG 63 1HH1 ARG 63 -1.581 4.112 16.014 470 H GLU 64 H GLU 64 0.764 4.712 8.862 471 HA GLU 64 HA GLU 64 0.404 2.193 7.456 472 HB2 GLU 64 1HB GLU 64 2.343 3.373 6.671 473 HB3 GLU 64 2HB GLU 64 2.869 3.759 8.297 474 HG2 GLU 64 1HG GLU 64 3.128 1.242 8.710 475 HG3 GLU 64 2HG GLU 64 2.823 0.996 7.002 476 H ILE 65 H ILE 65 0.956 0.169 8.498 477 HA ILE 65 HA ILE 65 0.833 0.384 11.420 478 HB ILE 65 HB ILE 65 -0.052 -1.812 9.548 479 HG12 ILE 65 1HG1 ILE 65 -1.555 0.091 9.528 480 HG13 ILE 65 2HG1 ILE 65 -2.303 -1.266 10.347 481 HG21 ILE 65 1HG2 ILE 65 0.576 -3.074 11.346 482 HG22 ILE 65 2HG2 ILE 65 0.334 -1.749 12.510 483 HG23 ILE 65 3HG2 ILE 65 -1.071 -2.621 11.850 484 HD11 ILE 65 1HD1 ILE 65 -2.735 0.711 11.679 485 HD12 ILE 65 2HD1 ILE 65 -1.531 -0.262 12.559 486 HD13 ILE 65 3HD1 ILE 65 -1.017 1.176 11.645 487 H LYS 66 H LYS 66 2.345 -1.431 8.675 488 HA LYS 66 HA LYS 66 4.124 -2.880 10.254 489 HB2 LYS 66 1HB LYS 66 4.071 -2.058 7.353 490 HB3 LYS 66 2HB LYS 66 5.437 -2.936 8.012 491 HG2 LYS 66 1HG LYS 66 2.561 -3.892 8.357 492 HG3 LYS 66 2HG LYS 66 3.547 -4.358 6.985 493 HD2 LYS 66 1HD LYS 66 4.915 -4.711 9.596 494 HD3 LYS 66 2HD LYS 66 3.467 -5.683 9.432 495 HE2 LYS 66 1HE LYS 66 5.835 -5.634 7.502 496 HE3 LYS 66 2HE LYS 66 5.417 -6.938 8.596 497 HZ1 LYS 66 1HZ LYS 66 4.461 -7.599 6.655 498 HZ2 LYS 66 2HZ LYS 66 3.187 -6.841 7.343 499 HZ3 LYS 66 3HZ LYS 66 4.050 -6.094 6.173 500 H SER 67 H SER 67 5.786 -2.233 11.505 501 HA SER 67 HA SER 67 6.732 0.465 11.107 502 HB2 SER 67 1HB SER 67 6.577 -1.446 13.365 503 HB3 SER 67 2HB SER 67 8.088 -0.559 13.312 504 HG SER 67 HG SER 67 6.419 0.547 14.546 505 H SER 68 H SER 68 7.514 -2.746 10.215 506 HA SER 68 HA SER 68 10.355 -2.271 10.247 507 HB2 SER 68 1HB SER 68 9.194 -4.516 10.820 508 HB3 SER 68 2HB SER 68 8.914 -4.691 9.098 509 HG SER 68 HG SER 68 10.867 -5.603 9.155 510 H GLU 69 H GLU 69 7.688 -1.580 8.263 511 HA GLU 69 HA GLU 69 9.089 -2.016 5.792 512 HB2 GLU 69 1HB GLU 69 6.316 -1.055 6.541 513 HB3 GLU 69 2HB GLU 69 6.911 -0.819 4.910 514 HG2 GLU 69 1HG GLU 69 6.876 -3.525 6.326 515 HG3 GLU 69 2HG GLU 69 5.606 -2.973 5.250 516 H ARG 70 H ARG 70 8.007 0.684 7.914 517 HA ARG 70 HA ARG 70 8.654 2.727 6.192 518 HB2 ARG 70 1HB ARG 70 7.661 2.485 8.803 519 HB3 ARG 70 2HB ARG 70 9.187 3.310 9.052 520 HG2 ARG 70 1HG ARG 70 8.094 4.618 6.813 521 HG3 ARG 70 2HG ARG 70 6.698 4.314 7.829 522 HD2 ARG 70 1HD ARG 70 7.389 6.313 8.783 523 HD3 ARG 70 2HD ARG 70 8.341 5.216 9.764 524 HE ARG 70 HE ARG 70 10.266 6.088 8.781 525 HH11 ARG 70 2HH2 ARG 70 7.545 6.684 6.631 526 HH12 ARG 70 1HH2 ARG 70 8.477 7.608 5.500 527 HH21 ARG 70 2HH1 ARG 70 11.495 7.307 7.289 528 HH22 ARG 70 1HH1 ARG 70 10.738 7.964 5.877 529 H SER 71 H SER 71 10.605 0.938 8.649 530 HA SER 71 HA SER 71 12.909 2.521 7.895 531 HB2 SER 71 1HB SER 71 12.189 0.760 10.225 532 HB3 SER 71 2HB SER 71 13.888 0.896 9.815 533 HG SER 71 HG SER 71 13.642 2.607 11.158 534 H GLY 72 H GLY 72 11.400 0.164 6.401 535 HA2 GLY 72 1HA GLY 72 13.851 -1.107 5.477 536 HA3 GLY 72 2HA GLY 72 12.666 -2.166 6.217 537 HA PRO 73 HA PRO 73 10.540 -0.356 2.395 538 HB2 PRO 73 1HB PRO 73 11.786 1.534 0.867 539 HB3 PRO 73 2HB PRO 73 10.643 1.929 2.134 540 HG2 PRO 73 1HG PRO 73 13.589 2.177 2.152 541 HG3 PRO 73 2HG PRO 73 12.416 2.941 3.207 542 HD2 PRO 73 1HD PRO 73 14.091 0.701 3.840 543 HD3 PRO 73 2HD PRO 73 12.837 1.391 4.851 544 H SER 74 H SER 74 11.766 -2.630 2.439 545 HA SER 74 HA SER 74 12.083 -3.226 -0.208 546 HB2 SER 74 1HB SER 74 14.372 -1.895 0.665 547 HB3 SER 74 2HB SER 74 14.826 -3.578 0.843 548 HG SER 74 HG SER 74 15.127 -2.382 -1.343 549 H SER 75 H SER 75 10.637 -4.808 0.896 550 HA SER 75 HA SER 75 11.710 -6.500 2.865 551 HB2 SER 75 1HB SER 75 9.203 -5.917 2.162 552 HB3 SER 75 2HB SER 75 9.385 -7.313 1.119 553 HG SER 75 HG SER 75 8.541 -7.997 3.133 554 H GLY 76 H GLY 76 13.333 -7.959 2.464 555 HA2 GLY 76 1HA GLY 76 13.911 -10.053 1.507 556 HA3 GLY 76 2HA GLY 76 13.122 -9.585 0.014
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