NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504705 | 2emv | 10224 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 20.190 12.644 -9.353 2 HA2 GLY 1 1HA GLY 1 19.610 10.526 -7.381 3 HA3 GLY 1 2HA GLY 1 20.402 10.152 -8.905 4 H SER 2 H SER 2 20.740 12.128 -5.977 5 HA SER 2 HA SER 2 23.241 13.104 -6.143 6 HB2 SER 2 1HB SER 2 21.825 13.349 -4.145 7 HB3 SER 2 2HB SER 2 22.127 11.664 -3.722 8 HG SER 2 HG SER 2 23.502 13.150 -2.608 9 H SER 3 H SER 3 25.354 12.397 -5.533 10 HA SER 3 HA SER 3 26.227 10.079 -6.744 11 HB2 SER 3 1HB SER 3 28.320 10.374 -5.388 12 HB3 SER 3 2HB SER 3 27.788 11.838 -6.214 13 HG SER 3 HG SER 3 27.146 12.694 -4.323 14 H GLY 4 H GLY 4 25.832 8.023 -6.289 15 HA2 GLY 4 1HA GLY 4 26.493 6.450 -4.306 16 HA3 GLY 4 2HA GLY 4 25.144 7.275 -3.539 17 H SER 5 H SER 5 23.390 7.469 -5.691 18 HA SER 5 HA SER 5 21.589 6.226 -6.401 19 HB2 SER 5 1HB SER 5 22.187 4.694 -8.234 20 HB3 SER 5 2HB SER 5 23.101 6.198 -8.336 21 HG SER 5 HG SER 5 24.843 5.074 -7.308 22 H SER 6 H SER 6 22.177 5.454 -3.845 23 HA SER 6 HA SER 6 22.470 2.592 -3.688 24 HB2 SER 6 1HB SER 6 22.102 2.924 -1.264 25 HB3 SER 6 2HB SER 6 23.349 4.000 -1.893 26 HG SER 6 HG SER 6 21.986 5.209 -0.617 27 H GLY 7 H GLY 7 20.708 1.895 -4.994 28 HA2 GLY 7 1HA GLY 7 18.160 1.909 -3.522 29 HA3 GLY 7 2HA GLY 7 18.171 2.328 -5.229 30 H THR 8 H THR 8 17.782 -0.147 -3.034 31 HA THR 8 HA THR 8 18.141 -2.159 -5.156 32 HB THR 8 HB THR 8 18.634 -3.814 -3.313 33 HG1 THR 8 HG1 THR 8 18.327 -3.013 -1.375 34 HG21 THR 8 3HG2 THR 8 20.910 -2.105 -2.971 35 HG22 THR 8 1HG2 THR 8 20.328 -1.987 -4.631 36 HG23 THR 8 2HG2 THR 8 20.753 -3.560 -3.955 37 H ARG 9 H ARG 9 16.286 -3.086 -5.698 38 HA ARG 9 HA ARG 9 13.938 -2.769 -4.059 39 HB2 ARG 9 1HB ARG 9 14.386 -4.168 -6.700 40 HB3 ARG 9 2HB ARG 9 12.818 -4.023 -5.917 41 HG2 ARG 9 1HG ARG 9 12.940 -1.601 -6.079 42 HG3 ARG 9 2HG ARG 9 14.537 -1.722 -6.820 43 HD2 ARG 9 1HD ARG 9 13.684 -2.649 -8.786 44 HD3 ARG 9 2HD ARG 9 12.166 -3.110 -8.017 45 HE ARG 9 HE ARG 9 12.486 -0.296 -7.989 46 HH11 ARG 9 1HH1 ARG 9 11.718 -2.955 -10.101 47 HH12 ARG 9 2HH1 ARG 9 10.761 -1.994 -11.178 48 HH21 ARG 9 1HH2 ARG 9 11.228 0.981 -9.400 49 HH22 ARG 9 2HH2 ARG 9 10.484 0.245 -10.780 50 H GLU 10 H GLU 10 14.835 -4.001 -2.227 51 HA GLU 10 HA GLU 10 15.315 -6.795 -2.443 52 HB2 GLU 10 1HB GLU 10 14.839 -4.926 -0.140 53 HB3 GLU 10 2HB GLU 10 14.940 -6.662 0.118 54 HG2 GLU 10 1HG GLU 10 17.174 -6.574 -1.059 55 HG3 GLU 10 2HG GLU 10 17.063 -4.820 -0.933 56 H LYS 11 H LYS 11 12.497 -4.847 -1.617 57 HA LYS 11 HA LYS 11 10.890 -7.238 -1.163 58 HB2 LYS 11 1HB LYS 11 10.581 -4.334 -0.620 59 HB3 LYS 11 2HB LYS 11 9.107 -5.246 -0.922 60 HG2 LYS 11 1HG LYS 11 9.315 -5.353 1.374 61 HG3 LYS 11 2HG LYS 11 10.030 -6.881 0.852 62 HD2 LYS 11 1HD LYS 11 12.221 -6.095 1.209 63 HD3 LYS 11 2HD LYS 11 11.689 -4.416 1.313 64 HE2 LYS 11 1HE LYS 11 10.414 -5.058 3.381 65 HE3 LYS 11 2HE LYS 11 11.219 -6.624 3.308 66 HZ1 LYS 11 3HZ LYS 11 12.514 -3.975 3.640 67 HZ2 LYS 11 1HZ LYS 11 13.359 -5.421 3.405 68 HZ3 LYS 11 2HZ LYS 11 12.415 -5.209 4.792 69 HA PRO 12 HA PRO 12 9.325 -7.349 -5.282 70 HB2 PRO 12 1HB PRO 12 7.071 -8.789 -4.818 71 HB3 PRO 12 2HB PRO 12 8.686 -9.506 -4.814 72 HG2 PRO 12 1HG PRO 12 6.992 -8.642 -2.502 73 HG3 PRO 12 2HG PRO 12 7.970 -10.110 -2.686 74 HD2 PRO 12 1HD PRO 12 8.814 -7.967 -1.263 75 HD3 PRO 12 2HD PRO 12 9.931 -9.023 -2.151 76 H TYR 13 H TYR 13 6.832 -6.775 -2.789 77 HA TYR 13 HA TYR 13 5.144 -5.315 -4.564 78 HB2 TYR 13 1HB TYR 13 5.122 -5.484 -1.544 79 HB3 TYR 13 2HB TYR 13 3.837 -4.796 -2.531 80 HD1 TYR 13 HD2 TYR 13 2.505 -6.277 -4.025 81 HD2 TYR 13 HD1 TYR 13 5.322 -7.837 -1.244 82 HE1 TYR 13 HE2 TYR 13 1.463 -8.495 -4.222 83 HE2 TYR 13 HE1 TYR 13 4.288 -10.061 -1.435 84 HH TYR 13 HH TYR 13 2.414 -11.017 -3.820 85 H GLU 14 H GLU 14 5.254 -3.249 -5.133 86 HA GLU 14 HA GLU 14 6.755 -1.389 -3.413 87 HB2 GLU 14 1HB GLU 14 7.068 -1.977 -6.300 88 HB3 GLU 14 2HB GLU 14 7.130 -0.281 -5.843 89 HG2 GLU 14 1HG GLU 14 9.090 -0.504 -4.724 90 HG3 GLU 14 2HG GLU 14 8.766 -2.174 -4.262 91 H CYS 15 H CYS 15 5.983 0.711 -3.274 92 HA CYS 15 HA CYS 15 3.170 1.013 -3.793 93 HB2 CYS 15 1HB CYS 15 4.354 1.865 -1.733 94 HB3 CYS 15 2HB CYS 15 5.086 3.103 -2.749 95 H SER 16 H SER 16 2.346 1.712 -5.638 96 HA SER 16 HA SER 16 3.955 2.839 -7.703 97 HB2 SER 16 1HB SER 16 1.994 1.420 -8.185 98 HB3 SER 16 2HB SER 16 0.938 2.656 -7.501 99 HG SER 16 HG SER 16 2.160 2.547 -9.957 100 H GLU 17 H GLU 17 2.790 4.195 -4.950 101 HA GLU 17 HA GLU 17 2.088 6.776 -6.099 102 HB2 GLU 17 1HB GLU 17 2.258 5.937 -3.199 103 HB3 GLU 17 2HB GLU 17 1.578 7.441 -3.805 104 HG2 GLU 17 1HG GLU 17 0.487 4.796 -4.678 105 HG3 GLU 17 2HG GLU 17 -0.013 5.536 -3.158 106 H CYS 18 H CYS 18 4.398 5.600 -3.645 107 HA CYS 18 HA CYS 18 6.136 7.878 -4.321 108 HB2 CYS 18 1HB CYS 18 7.159 7.531 -2.093 109 HB3 CYS 18 2HB CYS 18 5.438 7.886 -1.993 110 H GLY 19 H GLY 19 6.070 4.395 -3.741 111 HA2 GLY 19 1HA GLY 19 7.462 3.102 -5.353 112 HA3 GLY 19 2HA GLY 19 8.753 4.233 -4.974 113 H LYS 20 H LYS 20 6.942 3.567 -2.235 114 HA LYS 20 HA LYS 20 8.977 2.460 -0.759 115 HB2 LYS 20 1HB LYS 20 6.638 3.326 -0.035 116 HB3 LYS 20 2HB LYS 20 6.126 1.658 -0.257 117 HG2 LYS 20 1HG LYS 20 7.279 0.914 1.554 118 HG3 LYS 20 2HG LYS 20 8.538 2.141 1.397 119 HD2 LYS 20 1HD LYS 20 7.301 3.742 2.508 120 HD3 LYS 20 2HD LYS 20 5.762 2.971 2.121 121 HE2 LYS 20 1HE LYS 20 6.015 2.522 4.384 122 HE3 LYS 20 2HE LYS 20 6.611 1.049 3.622 123 HZ1 LYS 20 3HZ LYS 20 8.800 2.695 3.828 124 HZ2 LYS 20 1HZ LYS 20 8.459 1.343 4.786 125 HZ3 LYS 20 2HZ LYS 20 7.988 2.884 5.300 126 H ALA 21 H ALA 21 8.560 0.165 0.389 127 HA ALA 21 HA ALA 21 8.079 -1.863 -1.674 128 HB1 ALA 21 3HB ALA 21 10.364 -2.469 0.054 129 HB2 ALA 21 1HB ALA 21 10.160 -2.696 -1.683 130 HB3 ALA 21 2HB ALA 21 10.622 -1.116 -1.047 131 H PHE 22 H PHE 22 7.646 -3.982 -0.842 132 HA PHE 22 HA PHE 22 7.296 -4.310 2.012 133 HB2 PHE 22 1HB PHE 22 4.885 -4.558 0.208 134 HB3 PHE 22 2HB PHE 22 4.928 -4.725 1.960 135 HD1 PHE 22 HD1 PHE 22 5.415 -2.293 -0.793 136 HD2 PHE 22 HD2 PHE 22 4.610 -2.876 3.346 137 HE1 PHE 22 HE1 PHE 22 4.910 0.104 -0.558 138 HE2 PHE 22 HE2 PHE 22 4.102 -0.480 3.587 139 HZ PHE 22 HZ PHE 22 4.251 1.012 1.634 140 H ILE 23 H ILE 23 6.892 -6.488 2.632 141 HA ILE 23 HA ILE 23 7.997 -8.398 0.777 142 HB ILE 23 HB ILE 23 6.962 -8.817 3.583 143 HG12 ILE 23 1HG1 ILE 23 9.857 -8.755 2.804 144 HG13 ILE 23 2HG1 ILE 23 8.999 -7.244 3.089 145 HG21 ILE 23 1HG2 ILE 23 7.033 -10.849 2.140 146 HG22 ILE 23 2HG2 ILE 23 8.767 -10.593 1.953 147 HG23 ILE 23 3HG2 ILE 23 8.093 -10.926 3.548 148 HD11 ILE 23 3HD1 ILE 23 9.922 -7.675 5.145 149 HD12 ILE 23 1HD1 ILE 23 8.311 -8.370 5.324 150 HD13 ILE 23 2HD1 ILE 23 9.693 -9.418 5.003 151 H ARG 24 H ARG 24 4.874 -7.786 2.302 152 HA ARG 24 HA ARG 24 3.676 -9.733 0.445 153 HB2 ARG 24 1HB ARG 24 2.622 -9.138 3.210 154 HB3 ARG 24 2HB ARG 24 2.092 -10.402 2.109 155 HG2 ARG 24 1HG ARG 24 4.871 -10.300 3.242 156 HG3 ARG 24 2HG ARG 24 3.536 -11.128 4.045 157 HD2 ARG 24 1HD ARG 24 4.490 -11.694 1.240 158 HD3 ARG 24 2HD ARG 24 4.928 -12.636 2.665 159 HE ARG 24 HE ARG 24 2.089 -12.379 2.205 160 HH11 ARG 24 1HH1 ARG 24 4.966 -14.246 1.612 161 HH12 ARG 24 2HH1 ARG 24 4.104 -15.710 1.270 162 HH21 ARG 24 1HH2 ARG 24 0.942 -14.300 1.758 163 HH22 ARG 24 2HH2 ARG 24 1.815 -15.739 1.353 164 H ASN 25 H ASN 25 1.801 -9.135 -0.576 165 HA ASN 25 HA ASN 25 1.317 -6.531 -1.216 166 HB2 ASN 25 1HB ASN 25 0.278 -8.780 -2.112 167 HB3 ASN 25 2HB ASN 25 -1.035 -8.371 -1.013 168 HD21 ASN 25 1HD2 ASN 25 -0.865 -5.560 -1.288 169 HD22 ASN 25 2HD2 ASN 25 -1.421 -5.153 -2.872 170 H SER 26 H SER 26 -0.596 -8.387 1.158 171 HA SER 26 HA SER 26 -2.317 -6.534 2.084 172 HB2 SER 26 1HB SER 26 -0.803 -8.706 3.467 173 HB3 SER 26 2HB SER 26 -1.747 -7.588 4.451 174 HG SER 26 HG SER 26 -3.031 -9.337 3.858 175 H GLN 27 H GLN 27 1.115 -6.717 2.890 176 HA GLN 27 HA GLN 27 1.122 -4.677 4.839 177 HB2 GLN 27 1HB GLN 27 3.397 -5.489 3.024 178 HB3 GLN 27 2HB GLN 27 3.530 -4.653 4.565 179 HG2 GLN 27 1HG GLN 27 2.179 -7.294 4.519 180 HG3 GLN 27 2HG GLN 27 3.932 -7.247 4.344 181 HE21 GLN 27 1HE2 GLN 27 4.623 -7.969 6.256 182 HE22 GLN 27 2HE2 GLN 27 4.225 -7.269 7.784 183 H LEU 28 H LEU 28 1.854 -4.613 1.361 184 HA LEU 28 HA LEU 28 2.497 -1.900 1.171 185 HB2 LEU 28 1HB LEU 28 3.064 -3.129 -0.694 186 HB3 LEU 28 2HB LEU 28 1.511 -3.960 -0.747 187 HG LEU 28 HG LEU 28 0.479 -1.832 -1.542 188 HD11 LEU 28 1HD1 LEU 28 2.184 -0.218 -2.565 189 HD12 LEU 28 2HD1 LEU 28 3.344 -0.952 -1.458 190 HD13 LEU 28 3HD1 LEU 28 1.913 -0.139 -0.824 191 HD21 LEU 28 3HD2 LEU 28 0.707 -2.839 -3.506 192 HD22 LEU 28 1HD2 LEU 28 2.164 -3.663 -2.950 193 HD23 LEU 28 2HD2 LEU 28 2.282 -2.068 -3.694 194 H ILE 29 H ILE 29 -0.608 -3.498 0.442 195 HA ILE 29 HA ILE 29 -2.170 -1.386 -0.224 196 HB ILE 29 HB ILE 29 -2.963 -3.646 1.614 197 HG12 ILE 29 1HG1 ILE 29 -3.453 -3.386 -1.352 198 HG13 ILE 29 2HG1 ILE 29 -2.030 -4.189 -0.696 199 HG21 ILE 29 1HG2 ILE 29 -4.412 -1.327 0.780 200 HG22 ILE 29 2HG2 ILE 29 -5.145 -2.764 0.070 201 HG23 ILE 29 3HG2 ILE 29 -4.937 -2.652 1.818 202 HD11 ILE 29 3HD1 ILE 29 -3.759 -5.590 0.634 203 HD12 ILE 29 1HD1 ILE 29 -4.889 -5.023 -0.596 204 HD13 ILE 29 2HD1 ILE 29 -3.462 -5.946 -1.067 205 H VAL 30 H VAL 30 -1.570 -2.462 3.120 206 HA VAL 30 HA VAL 30 -3.042 -0.595 4.496 207 HB VAL 30 HB VAL 30 -0.324 -1.664 5.271 208 HG11 VAL 30 1HG1 VAL 30 -0.584 -0.813 7.361 209 HG12 VAL 30 2HG1 VAL 30 -1.491 0.410 6.469 210 HG13 VAL 30 3HG1 VAL 30 -2.344 -0.894 7.296 211 HG21 VAL 30 3HG2 VAL 30 -2.772 -2.996 4.917 212 HG22 VAL 30 1HG2 VAL 30 -1.305 -3.616 5.675 213 HG23 VAL 30 2HG2 VAL 30 -2.544 -2.837 6.658 214 H HIS 31 H HIS 31 0.146 -0.215 3.044 215 HA HIS 31 HA HIS 31 0.557 2.416 4.121 216 HB2 HIS 31 1HB HIS 31 2.503 1.090 3.640 217 HB3 HIS 31 2HB HIS 31 1.991 0.848 1.973 218 HD1 HIS 31 HD1 HIS 31 3.273 3.568 4.263 219 HD2 HIS 31 HD2 HIS 31 2.834 2.769 0.210 220 HE1 HIS 31 HE1 HIS 31 4.489 5.422 3.077 221 H GLN 32 H GLN 32 -1.042 1.091 1.385 222 HA GLN 32 HA GLN 32 -0.957 3.527 -0.169 223 HB2 GLN 32 1HB GLN 32 -2.493 0.954 -0.557 224 HB3 GLN 32 2HB GLN 32 -2.497 2.296 -1.694 225 HG2 GLN 32 1HG GLN 32 0.033 2.019 -1.772 226 HG3 GLN 32 2HG GLN 32 -0.232 0.475 -0.965 227 HE21 GLN 32 1HE2 GLN 32 0.058 1.985 -3.897 228 HE22 GLN 32 2HE2 GLN 32 -0.649 0.773 -4.905 229 H ARG 33 H ARG 33 -2.956 2.119 2.248 230 HA ARG 33 HA ARG 33 -5.458 3.143 1.723 231 HB2 ARG 33 1HB ARG 33 -4.028 2.821 4.363 232 HB3 ARG 33 2HB ARG 33 -5.733 3.230 4.229 233 HG2 ARG 33 1HG ARG 33 -5.923 1.097 2.811 234 HG3 ARG 33 2HG ARG 33 -4.349 0.682 3.494 235 HD2 ARG 33 1HD ARG 33 -6.897 1.241 5.007 236 HD3 ARG 33 2HD ARG 33 -6.094 -0.319 4.826 237 HE ARG 33 HE ARG 33 -4.493 1.745 6.063 238 HH11 ARG 33 1HH1 ARG 33 -6.714 -0.892 6.544 239 HH12 ARG 33 2HH1 ARG 33 -6.229 -1.174 8.183 240 HH21 ARG 33 1HH2 ARG 33 -3.845 1.384 8.220 241 HH22 ARG 33 2HH2 ARG 33 -4.597 0.122 9.135 242 H THR 34 H THR 34 -2.674 4.773 3.161 243 HA THR 34 HA THR 34 -4.087 7.207 3.693 244 HB THR 34 HB THR 34 -2.086 6.562 4.987 245 HG1 THR 34 HG1 THR 34 -0.954 8.745 4.403 246 HG21 THR 34 3HG2 THR 34 -0.743 5.545 3.256 247 HG22 THR 34 1HG2 THR 34 0.148 6.897 3.954 248 HG23 THR 34 2HG2 THR 34 -0.640 7.076 2.387 249 H HIS 35 H HIS 35 -1.978 6.032 1.118 250 HA HIS 35 HA HIS 35 -1.681 8.468 -0.260 251 HB2 HIS 35 1HB HIS 35 -1.316 5.591 -0.920 252 HB3 HIS 35 2HB HIS 35 -1.438 6.718 -2.268 253 HD1 HIS 35 HD1 HIS 35 0.322 8.843 -2.026 254 HD2 HIS 35 HD2 HIS 35 1.197 5.348 0.043 255 HE1 HIS 35 HE1 HIS 35 2.776 8.975 -1.491 256 H SER 36 H SER 36 -4.146 5.958 -0.398 257 HA SER 36 HA SER 36 -5.532 6.418 -2.648 258 HB2 SER 36 1HB SER 36 -6.860 6.264 0.068 259 HB3 SER 36 2HB SER 36 -7.574 5.817 -1.482 260 HG SER 36 HG SER 36 -6.848 3.954 -0.516 261 H GLY 37 H GLY 37 -6.755 7.970 -3.583 262 HA2 GLY 37 1HA GLY 37 -8.146 10.027 -2.361 263 HA3 GLY 37 2HA GLY 37 -6.524 10.645 -2.639 264 H GLU 38 H GLU 38 -8.060 12.145 -3.918 265 HA GLU 38 HA GLU 38 -8.263 11.099 -6.666 266 HB2 GLU 38 1HB GLU 38 -10.122 12.838 -5.094 267 HB3 GLU 38 2HB GLU 38 -10.037 13.030 -6.839 268 HG2 GLU 38 1HG GLU 38 -10.756 10.808 -7.212 269 HG3 GLU 38 2HG GLU 38 -10.551 10.385 -5.513 270 H SER 39 H SER 39 -6.069 11.834 -6.961 271 HA SER 39 HA SER 39 -5.762 14.754 -7.063 272 HB2 SER 39 1HB SER 39 -3.805 12.487 -6.837 273 HB3 SER 39 2HB SER 39 -3.277 14.058 -7.440 274 HG SER 39 HG SER 39 -3.018 13.897 -5.180 275 H GLY 40 H GLY 40 -4.782 15.730 -8.922 276 HA2 GLY 40 1HA GLY 40 -4.716 16.120 -11.185 277 HA3 GLY 40 2HA GLY 40 -4.069 14.489 -11.286 278 HA PRO 41 HA PRO 41 -8.889 14.395 -12.002 279 HB2 PRO 41 1HB PRO 41 -9.874 16.707 -13.028 280 HB3 PRO 41 2HB PRO 41 -9.839 16.363 -11.295 281 HG2 PRO 41 1HG PRO 41 -7.958 18.015 -12.936 282 HG3 PRO 41 2HG PRO 41 -8.642 18.356 -11.336 283 HD2 PRO 41 1HD PRO 41 -6.129 17.407 -11.673 284 HD3 PRO 41 2HD PRO 41 -7.121 17.002 -10.257 285 H SER 42 H SER 42 -10.193 14.608 -14.117 286 HA SER 42 HA SER 42 -10.356 14.380 -16.381 287 HB2 SER 42 1HB SER 42 -8.994 16.539 -16.372 288 HB3 SER 42 2HB SER 42 -7.574 15.526 -16.630 289 HG SER 42 HG SER 42 -9.528 16.275 -18.386 290 H SER 43 H SER 43 -9.498 12.250 -14.797 291 HA SER 43 HA SER 43 -7.265 10.964 -16.115 292 HB2 SER 43 1HB SER 43 -7.935 10.759 -13.618 293 HB3 SER 43 2HB SER 43 -9.136 9.602 -14.192 294 HG SER 43 HG SER 43 -7.365 8.458 -15.180 295 H GLY 44 H GLY 44 -7.424 8.887 -17.163 296 HA2 GLY 44 1HA GLY 44 -10.032 8.523 -18.506 297 HA3 GLY 44 2HA GLY 44 -8.484 8.246 -19.289 Start of MODEL 2 1 H1 GLY 1 H GLY 1 25.741 15.404 -8.041 2 HA2 GLY 1 1HA GLY 1 26.379 13.718 -6.084 3 HA3 GLY 1 2HA GLY 1 24.994 14.527 -5.365 4 H SER 2 H SER 2 23.796 12.606 -5.305 5 HA SER 2 HA SER 2 23.175 11.313 -7.847 6 HB2 SER 2 1HB SER 2 21.934 9.681 -6.397 7 HB3 SER 2 2HB SER 2 23.654 9.804 -6.029 8 HG SER 2 HG SER 2 21.688 10.081 -4.352 9 H SER 3 H SER 3 20.921 10.836 -8.391 10 HA SER 3 HA SER 3 19.304 13.207 -8.143 11 HB2 SER 3 1HB SER 3 19.517 11.847 -10.258 12 HB3 SER 3 2HB SER 3 18.556 10.595 -9.472 13 HG SER 3 HG SER 3 17.745 12.885 -10.652 14 H GLY 4 H GLY 4 17.426 13.470 -7.024 15 HA2 GLY 4 1HA GLY 4 16.996 11.959 -4.699 16 HA3 GLY 4 2HA GLY 4 15.865 13.119 -5.379 17 H SER 5 H SER 5 16.795 9.764 -5.215 18 HA SER 5 HA SER 5 14.223 9.050 -6.466 19 HB2 SER 5 1HB SER 5 16.371 8.464 -7.763 20 HB3 SER 5 2HB SER 5 16.640 7.251 -6.512 21 HG SER 5 HG SER 5 14.966 6.118 -7.220 22 H SER 6 H SER 6 13.015 7.442 -5.506 23 HA SER 6 HA SER 6 14.046 6.311 -2.996 24 HB2 SER 6 1HB SER 6 11.527 7.876 -3.428 25 HB3 SER 6 2HB SER 6 11.557 6.604 -2.207 26 HG SER 6 HG SER 6 12.339 9.020 -1.852 27 H GLY 7 H GLY 7 13.762 4.180 -2.826 28 HA2 GLY 7 1HA GLY 7 11.904 2.434 -3.084 29 HA3 GLY 7 2HA GLY 7 11.976 2.885 -4.781 30 H THR 8 H THR 8 14.333 2.061 -2.232 31 HA THR 8 HA THR 8 15.495 0.095 -4.092 32 HB THR 8 HB THR 8 17.040 1.888 -2.208 33 HG1 THR 8 HG1 THR 8 17.309 3.140 -3.895 34 HG21 THR 8 3HG2 THR 8 17.719 -0.574 -3.651 35 HG22 THR 8 1HG2 THR 8 18.515 0.189 -2.275 36 HG23 THR 8 2HG2 THR 8 18.848 0.755 -3.912 37 H ARG 9 H ARG 9 14.432 -1.627 -3.102 38 HA ARG 9 HA ARG 9 15.668 -2.540 -0.643 39 HB2 ARG 9 1HB ARG 9 12.785 -1.783 -0.855 40 HB3 ARG 9 2HB ARG 9 13.224 -3.169 0.135 41 HG2 ARG 9 1HG ARG 9 14.459 -0.448 0.469 42 HG3 ARG 9 2HG ARG 9 13.026 -0.985 1.349 43 HD2 ARG 9 1HD ARG 9 14.301 -2.854 2.280 44 HD3 ARG 9 2HD ARG 9 15.730 -2.321 1.396 45 HE ARG 9 HE ARG 9 14.662 -0.281 3.091 46 HH11 ARG 9 1HH1 ARG 9 16.668 -3.126 3.015 47 HH12 ARG 9 2HH1 ARG 9 17.593 -2.670 4.407 48 HH21 ARG 9 1HH2 ARG 9 15.873 0.330 4.925 49 HH22 ARG 9 2HH2 ARG 9 17.139 -0.705 5.493 50 H GLU 10 H GLU 10 15.162 -4.811 -0.178 51 HA GLU 10 HA GLU 10 14.985 -6.320 -2.642 52 HB2 GLU 10 1HB GLU 10 15.630 -7.027 0.209 53 HB3 GLU 10 2HB GLU 10 15.354 -8.275 -0.998 54 HG2 GLU 10 1HG GLU 10 17.143 -7.036 -2.372 55 HG3 GLU 10 2HG GLU 10 17.558 -6.262 -0.844 56 H LYS 11 H LYS 11 12.589 -4.967 -1.739 57 HA LYS 11 HA LYS 11 10.854 -7.206 -0.974 58 HB2 LYS 11 1HB LYS 11 10.699 -4.255 -0.684 59 HB3 LYS 11 2HB LYS 11 9.182 -5.108 -0.936 60 HG2 LYS 11 1HG LYS 11 9.464 -4.912 1.396 61 HG3 LYS 11 2HG LYS 11 9.823 -6.593 0.992 62 HD2 LYS 11 1HD LYS 11 12.049 -6.372 1.457 63 HD3 LYS 11 2HD LYS 11 12.081 -4.661 1.022 64 HE2 LYS 11 1HE LYS 11 12.305 -4.529 3.302 65 HE3 LYS 11 2HE LYS 11 10.554 -4.414 3.137 66 HZ1 LYS 11 3HZ LYS 11 10.326 -6.236 4.349 67 HZ2 LYS 11 1HZ LYS 11 11.999 -6.279 4.598 68 HZ3 LYS 11 2HZ LYS 11 11.315 -7.123 3.302 69 HA PRO 12 HA PRO 12 9.401 -7.573 -5.126 70 HB2 PRO 12 1HB PRO 12 7.130 -8.969 -4.610 71 HB3 PRO 12 2HB PRO 12 8.740 -9.693 -4.538 72 HG2 PRO 12 1HG PRO 12 7.017 -8.681 -2.309 73 HG3 PRO 12 2HG PRO 12 7.988 -10.163 -2.388 74 HD2 PRO 12 1HD PRO 12 8.824 -7.942 -1.085 75 HD3 PRO 12 2HD PRO 12 9.947 -9.056 -1.890 76 H TYR 13 H TYR 13 6.883 -6.824 -2.706 77 HA TYR 13 HA TYR 13 5.250 -5.445 -4.609 78 HB2 TYR 13 1HB TYR 13 5.108 -5.474 -1.586 79 HB3 TYR 13 2HB TYR 13 3.857 -4.864 -2.664 80 HD1 TYR 13 HD2 TYR 13 2.545 -6.422 -4.049 81 HD2 TYR 13 HD1 TYR 13 5.396 -7.829 -1.222 82 HE1 TYR 13 HE2 TYR 13 1.543 -8.666 -4.164 83 HE2 TYR 13 HE1 TYR 13 4.403 -10.077 -1.330 84 HH TYR 13 HH TYR 13 1.591 -10.745 -3.398 85 H GLU 14 H GLU 14 5.120 -3.316 -5.056 86 HA GLU 14 HA GLU 14 6.673 -1.439 -3.420 87 HB2 GLU 14 1HB GLU 14 7.047 -2.085 -6.286 88 HB3 GLU 14 2HB GLU 14 7.086 -0.379 -5.865 89 HG2 GLU 14 1HG GLU 14 9.026 -0.561 -4.703 90 HG3 GLU 14 2HG GLU 14 8.706 -2.224 -4.212 91 H CYS 15 H CYS 15 5.859 0.636 -3.300 92 HA CYS 15 HA CYS 15 3.062 0.909 -3.881 93 HB2 CYS 15 1HB CYS 15 4.190 1.828 -1.831 94 HB3 CYS 15 2HB CYS 15 4.961 3.028 -2.863 95 H SER 16 H SER 16 2.126 1.858 -5.575 96 HA SER 16 HA SER 16 3.790 2.860 -7.716 97 HB2 SER 16 1HB SER 16 1.804 2.835 -9.058 98 HB3 SER 16 2HB SER 16 1.777 1.373 -8.071 99 HG SER 16 HG SER 16 -0.243 2.452 -8.071 100 H GLU 17 H GLU 17 2.766 4.245 -4.988 101 HA GLU 17 HA GLU 17 2.009 6.807 -6.193 102 HB2 GLU 17 1HB GLU 17 2.013 6.022 -3.275 103 HB3 GLU 17 2HB GLU 17 1.317 7.479 -3.969 104 HG2 GLU 17 1HG GLU 17 0.363 4.816 -4.903 105 HG3 GLU 17 2HG GLU 17 -0.195 5.449 -3.355 106 H CYS 18 H CYS 18 4.308 5.449 -3.848 107 HA CYS 18 HA CYS 18 6.028 7.798 -4.309 108 HB2 CYS 18 1HB CYS 18 6.963 7.397 -2.055 109 HB3 CYS 18 2HB CYS 18 5.236 7.738 -2.008 110 H GLY 19 H GLY 19 5.892 4.303 -3.918 111 HA2 GLY 19 1HA GLY 19 7.324 3.002 -5.428 112 HA3 GLY 19 2HA GLY 19 8.601 4.161 -5.091 113 H LYS 20 H LYS 20 6.788 3.457 -2.338 114 HA LYS 20 HA LYS 20 8.867 2.451 -0.843 115 HB2 LYS 20 1HB LYS 20 6.413 3.201 -0.209 116 HB3 LYS 20 2HB LYS 20 6.104 1.470 -0.270 117 HG2 LYS 20 1HG LYS 20 7.362 1.035 1.575 118 HG3 LYS 20 2HG LYS 20 8.444 2.402 1.298 119 HD2 LYS 20 1HD LYS 20 6.948 3.930 2.226 120 HD3 LYS 20 2HD LYS 20 5.571 2.841 2.036 121 HE2 LYS 20 1HE LYS 20 5.984 2.720 4.308 122 HE3 LYS 20 2HE LYS 20 6.866 1.324 3.692 123 HZ1 LYS 20 3HZ LYS 20 7.877 3.788 4.862 124 HZ2 LYS 20 1HZ LYS 20 8.760 3.167 3.559 125 HZ3 LYS 20 2HZ LYS 20 8.502 2.218 4.934 126 H ALA 21 H ALA 21 8.494 0.149 0.336 127 HA ALA 21 HA ALA 21 8.041 -1.928 -1.669 128 HB1 ALA 21 3HB ALA 21 10.578 -1.059 -1.267 129 HB2 ALA 21 1HB ALA 21 10.475 -2.368 -0.089 130 HB3 ALA 21 2HB ALA 21 10.151 -2.688 -1.793 131 H PHE 22 H PHE 22 7.483 -3.931 -0.823 132 HA PHE 22 HA PHE 22 7.449 -4.264 2.073 133 HB2 PHE 22 1HB PHE 22 4.946 -4.478 0.387 134 HB3 PHE 22 2HB PHE 22 5.066 -4.856 2.102 135 HD1 PHE 22 HD1 PHE 22 5.159 -2.146 -0.387 136 HD2 PHE 22 HD2 PHE 22 5.021 -3.147 3.748 137 HE1 PHE 22 HE1 PHE 22 4.628 0.194 0.158 138 HE2 PHE 22 HE2 PHE 22 4.489 -0.809 4.300 139 HZ PHE 22 HZ PHE 22 4.292 0.865 2.504 140 H ILE 23 H ILE 23 6.863 -6.479 2.718 141 HA ILE 23 HA ILE 23 8.035 -8.386 0.878 142 HB ILE 23 HB ILE 23 7.030 -8.777 3.700 143 HG12 ILE 23 1HG1 ILE 23 9.897 -8.650 2.776 144 HG13 ILE 23 2HG1 ILE 23 9.019 -7.212 3.288 145 HG21 ILE 23 1HG2 ILE 23 8.562 -10.825 3.518 146 HG22 ILE 23 2HG2 ILE 23 6.987 -10.898 2.728 147 HG23 ILE 23 3HG2 ILE 23 8.439 -10.593 1.774 148 HD11 ILE 23 3HD1 ILE 23 10.258 -7.955 5.148 149 HD12 ILE 23 1HD1 ILE 23 8.580 -8.399 5.461 150 HD13 ILE 23 2HD1 ILE 23 9.731 -9.623 4.925 151 H ARG 24 H ARG 24 4.918 -7.783 2.421 152 HA ARG 24 HA ARG 24 3.725 -9.776 0.608 153 HB2 ARG 24 1HB ARG 24 2.764 -9.084 3.389 154 HB3 ARG 24 2HB ARG 24 2.061 -10.281 2.310 155 HG2 ARG 24 1HG ARG 24 4.401 -11.376 2.385 156 HG3 ARG 24 2HG ARG 24 4.630 -10.388 3.830 157 HD2 ARG 24 1HD ARG 24 2.506 -11.362 4.726 158 HD3 ARG 24 2HD ARG 24 2.497 -12.460 3.347 159 HE ARG 24 HE ARG 24 4.224 -12.582 5.664 160 HH11 ARG 24 1HH1 ARG 24 3.663 -13.625 2.390 161 HH12 ARG 24 2HH1 ARG 24 4.659 -15.036 2.531 162 HH21 ARG 24 1HH2 ARG 24 5.538 -14.436 5.861 163 HH22 ARG 24 2HH2 ARG 24 5.725 -15.496 4.506 164 H ASN 25 H ASN 25 1.910 -9.187 -0.495 165 HA ASN 25 HA ASN 25 1.426 -6.591 -1.179 166 HB2 ASN 25 1HB ASN 25 0.451 -8.861 -2.098 167 HB3 ASN 25 2HB ASN 25 -0.911 -8.456 -1.058 168 HD21 ASN 25 1HD2 ASN 25 -0.747 -5.642 -1.354 169 HD22 ASN 25 2HD2 ASN 25 -1.244 -5.257 -2.963 170 H SER 26 H SER 26 -0.466 -8.459 1.197 171 HA SER 26 HA SER 26 -2.268 -6.595 2.020 172 HB2 SER 26 1HB SER 26 -2.168 -7.681 4.276 173 HB3 SER 26 2HB SER 26 -2.293 -8.828 2.942 174 HG SER 26 HG SER 26 0.215 -8.624 3.200 175 H GLN 27 H GLN 27 1.149 -6.711 2.791 176 HA GLN 27 HA GLN 27 1.112 -4.748 4.835 177 HB2 GLN 27 1HB GLN 27 3.400 -5.488 3.004 178 HB3 GLN 27 2HB GLN 27 3.524 -4.667 4.554 179 HG2 GLN 27 1HG GLN 27 2.214 -7.329 4.480 180 HG3 GLN 27 2HG GLN 27 3.967 -7.251 4.307 181 HE21 GLN 27 1HE2 GLN 27 4.683 -7.968 6.207 182 HE22 GLN 27 2HE2 GLN 27 4.268 -7.298 7.745 183 H LEU 28 H LEU 28 1.881 -4.574 1.367 184 HA LEU 28 HA LEU 28 2.445 -1.831 1.274 185 HB2 LEU 28 1HB LEU 28 3.105 -3.105 -0.574 186 HB3 LEU 28 2HB LEU 28 1.502 -3.810 -0.770 187 HG LEU 28 HG LEU 28 0.662 -1.649 -1.580 188 HD11 LEU 28 1HD1 LEU 28 2.063 -0.090 -0.470 189 HD12 LEU 28 2HD1 LEU 28 2.376 0.081 -2.197 190 HD13 LEU 28 3HD1 LEU 28 3.519 -0.793 -1.177 191 HD21 LEU 28 3HD2 LEU 28 1.827 -3.463 -3.029 192 HD22 LEU 28 1HD2 LEU 28 3.105 -2.259 -3.191 193 HD23 LEU 28 2HD2 LEU 28 1.468 -1.886 -3.732 194 H ILE 29 H ILE 29 -0.564 -3.503 0.330 195 HA ILE 29 HA ILE 29 -2.201 -1.486 -0.336 196 HB ILE 29 HB ILE 29 -2.923 -3.743 1.536 197 HG12 ILE 29 1HG1 ILE 29 -3.357 -3.500 -1.445 198 HG13 ILE 29 2HG1 ILE 29 -1.983 -4.333 -0.727 199 HG21 ILE 29 1HG2 ILE 29 -4.977 -2.918 1.680 200 HG22 ILE 29 2HG2 ILE 29 -4.444 -1.483 0.807 201 HG23 ILE 29 3HG2 ILE 29 -5.104 -2.858 -0.077 202 HD11 ILE 29 3HD1 ILE 29 -3.682 -5.765 0.491 203 HD12 ILE 29 1HD1 ILE 29 -4.884 -5.074 -0.598 204 HD13 ILE 29 2HD1 ILE 29 -3.534 -6.005 -1.250 205 H VAL 30 H VAL 30 -1.538 -2.428 3.033 206 HA VAL 30 HA VAL 30 -3.120 -0.548 4.318 207 HB VAL 30 HB VAL 30 -0.466 -1.696 5.186 208 HG11 VAL 30 1HG1 VAL 30 -2.335 0.187 6.515 209 HG12 VAL 30 2HG1 VAL 30 -1.611 -1.085 7.502 210 HG13 VAL 30 3HG1 VAL 30 -0.581 0.056 6.637 211 HG21 VAL 30 3HG2 VAL 30 -2.430 -2.795 6.745 212 HG22 VAL 30 1HG2 VAL 30 -3.223 -2.662 5.175 213 HG23 VAL 30 2HG2 VAL 30 -1.710 -3.555 5.326 214 H HIS 31 H HIS 31 0.149 -0.227 3.028 215 HA HIS 31 HA HIS 31 0.580 2.396 4.066 216 HB2 HIS 31 1HB HIS 31 2.510 1.084 3.563 217 HB3 HIS 31 2HB HIS 31 1.964 0.794 1.914 218 HD1 HIS 31 HD1 HIS 31 3.348 3.548 4.095 219 HD2 HIS 31 HD2 HIS 31 2.738 2.684 0.077 220 HE1 HIS 31 HE1 HIS 31 4.538 5.365 2.828 221 H GLN 32 H GLN 32 -1.109 1.138 1.364 222 HA GLN 32 HA GLN 32 -0.979 3.573 -0.191 223 HB2 GLN 32 1HB GLN 32 -2.582 1.036 -0.538 224 HB3 GLN 32 2HB GLN 32 -2.622 2.387 -1.664 225 HG2 GLN 32 1HG GLN 32 -0.161 2.103 -1.967 226 HG3 GLN 32 2HG GLN 32 -0.273 0.633 -1.000 227 HE21 GLN 32 1HE2 GLN 32 -0.141 1.749 -4.054 228 HE22 GLN 32 2HE2 GLN 32 -0.939 0.462 -4.884 229 H ARG 33 H ARG 33 -3.036 2.151 2.202 230 HA ARG 33 HA ARG 33 -5.486 3.289 1.754 231 HB2 ARG 33 1HB ARG 33 -4.082 3.028 4.419 232 HB3 ARG 33 2HB ARG 33 -5.810 3.264 4.199 233 HG2 ARG 33 1HG ARG 33 -5.930 1.117 3.004 234 HG3 ARG 33 2HG ARG 33 -4.207 0.879 3.302 235 HD2 ARG 33 1HD ARG 33 -4.536 0.726 5.639 236 HD3 ARG 33 2HD ARG 33 -6.185 1.338 5.519 237 HE ARG 33 HE ARG 33 -5.287 -1.369 5.038 238 HH11 ARG 33 1HH1 ARG 33 -7.821 0.979 4.609 239 HH12 ARG 33 2HH1 ARG 33 -9.059 -0.208 4.368 240 HH21 ARG 33 1HH2 ARG 33 -6.908 -2.942 4.722 241 HH22 ARG 33 2HH2 ARG 33 -8.539 -2.439 4.433 242 H THR 34 H THR 34 -2.669 4.804 3.279 243 HA THR 34 HA THR 34 -3.955 7.266 3.861 244 HB THR 34 HB THR 34 -1.904 6.573 5.021 245 HG1 THR 34 HG1 THR 34 -0.752 8.664 4.609 246 HG21 THR 34 3HG2 THR 34 0.161 6.327 4.012 247 HG22 THR 34 1HG2 THR 34 -0.279 7.324 2.626 248 HG23 THR 34 2HG2 THR 34 -0.912 5.683 2.770 249 H HIS 35 H HIS 35 -2.068 6.093 1.122 250 HA HIS 35 HA HIS 35 -1.791 8.553 -0.220 251 HB2 HIS 35 1HB HIS 35 -1.555 5.683 -0.965 252 HB3 HIS 35 2HB HIS 35 -1.734 6.844 -2.276 253 HD1 HIS 35 HD1 HIS 35 0.104 8.899 -2.136 254 HD2 HIS 35 HD2 HIS 35 1.005 5.362 -0.151 255 HE1 HIS 35 HE1 HIS 35 2.590 8.954 -1.758 256 H SER 36 H SER 36 -4.310 6.084 -0.295 257 HA SER 36 HA SER 36 -5.836 6.641 -2.415 258 HB2 SER 36 1HB SER 36 -6.815 6.320 0.429 259 HB3 SER 36 2HB SER 36 -7.863 6.244 -0.987 260 HG SER 36 HG SER 36 -5.626 4.632 -1.097 261 H GLY 37 H GLY 37 -5.827 8.611 0.547 262 HA2 GLY 37 1HA GLY 37 -7.751 10.473 -0.089 263 HA3 GLY 37 2HA GLY 37 -6.317 10.835 0.859 264 H GLU 38 H GLU 38 -4.564 11.849 -0.105 265 HA GLU 38 HA GLU 38 -5.168 13.556 -2.280 266 HB2 GLU 38 1HB GLU 38 -2.654 12.944 -0.751 267 HB3 GLU 38 2HB GLU 38 -2.621 14.001 -2.155 268 HG2 GLU 38 1HG GLU 38 -2.843 15.491 -0.417 269 HG3 GLU 38 2HG GLU 38 -4.511 15.278 -0.945 270 H SER 39 H SER 39 -3.987 13.707 -4.308 271 HA SER 39 HA SER 39 -2.471 11.524 -5.314 272 HB2 SER 39 1HB SER 39 -4.612 10.379 -5.363 273 HB3 SER 39 2HB SER 39 -5.355 11.735 -6.211 274 HG SER 39 HG SER 39 -4.848 10.411 -7.831 275 H GLY 40 H GLY 40 -1.980 11.781 -7.647 276 HA2 GLY 40 1HA GLY 40 -2.725 14.193 -8.993 277 HA3 GLY 40 2HA GLY 40 -1.118 14.311 -8.291 278 HA PRO 41 HA PRO 41 -0.667 12.554 -12.543 279 HB2 PRO 41 1HB PRO 41 1.472 14.092 -13.197 280 HB3 PRO 41 2HB PRO 41 -0.199 14.630 -13.410 281 HG2 PRO 41 1HG PRO 41 1.728 15.259 -11.206 282 HG3 PRO 41 2HG PRO 41 0.608 16.340 -12.056 283 HD2 PRO 41 1HD PRO 41 0.069 15.317 -9.608 284 HD3 PRO 41 2HD PRO 41 -1.201 15.660 -10.800 285 H SER 42 H SER 42 1.021 11.237 -13.374 286 HA SER 42 HA SER 42 2.497 9.845 -11.389 287 HB2 SER 42 1HB SER 42 2.664 9.720 -14.410 288 HB3 SER 42 2HB SER 42 3.446 8.583 -13.312 289 HG SER 42 HG SER 42 0.723 8.925 -13.889 290 H SER 43 H SER 43 4.196 10.717 -10.401 291 HA SER 43 HA SER 43 6.054 12.378 -11.953 292 HB2 SER 43 1HB SER 43 5.456 12.172 -9.009 293 HB3 SER 43 2HB SER 43 6.935 12.936 -9.589 294 HG SER 43 HG SER 43 5.738 14.638 -9.834 295 H GLY 44 H GLY 44 5.989 9.690 -9.632 296 HA2 GLY 44 1HA GLY 44 7.659 7.923 -10.682 297 HA3 GLY 44 2HA GLY 44 8.810 9.140 -10.148 Start of MODEL 3 1 H1 GLY 1 H GLY 1 29.521 9.425 -10.873 2 HA2 GLY 1 1HA GLY 1 26.882 10.029 -11.825 3 HA3 GLY 1 2HA GLY 1 27.326 8.715 -10.746 4 H SER 2 H SER 2 27.232 12.281 -10.660 5 HA SER 2 HA SER 2 26.527 12.221 -7.851 6 HB2 SER 2 1HB SER 2 27.210 14.373 -9.823 7 HB3 SER 2 2HB SER 2 26.396 14.801 -8.318 8 HG SER 2 HG SER 2 28.985 14.158 -8.738 9 H SER 3 H SER 3 25.051 13.376 -10.873 10 HA SER 3 HA SER 3 22.614 14.202 -9.729 11 HB2 SER 3 1HB SER 3 23.130 15.027 -11.896 12 HB3 SER 3 2HB SER 3 23.377 13.403 -12.538 13 HG SER 3 HG SER 3 21.278 13.150 -12.752 14 H GLY 4 H GLY 4 21.192 12.965 -8.706 15 HA2 GLY 4 1HA GLY 4 19.630 11.278 -8.424 16 HA3 GLY 4 2HA GLY 4 20.161 10.579 -9.946 17 H SER 5 H SER 5 19.943 9.996 -6.742 18 HA SER 5 HA SER 5 22.172 8.075 -6.836 19 HB2 SER 5 1HB SER 5 21.472 10.053 -4.714 20 HB3 SER 5 2HB SER 5 22.082 8.478 -4.207 21 HG SER 5 HG SER 5 23.604 10.357 -4.734 22 H SER 6 H SER 6 19.589 7.457 -7.628 23 HA SER 6 HA SER 6 18.013 6.368 -5.533 24 HB2 SER 6 1HB SER 6 18.029 6.132 -8.518 25 HB3 SER 6 2HB SER 6 17.053 5.007 -7.573 26 HG SER 6 HG SER 6 16.496 7.292 -6.542 27 H GLY 7 H GLY 7 17.405 3.934 -5.648 28 HA2 GLY 7 1HA GLY 7 19.792 2.273 -6.064 29 HA3 GLY 7 2HA GLY 7 19.040 2.289 -4.475 30 H THR 8 H THR 8 18.670 0.030 -4.668 31 HA THR 8 HA THR 8 16.345 -0.602 -6.361 32 HB THR 8 HB THR 8 18.380 -1.645 -7.307 33 HG1 THR 8 HG1 THR 8 16.398 -2.735 -7.554 34 HG21 THR 8 3HG2 THR 8 19.747 -3.103 -6.153 35 HG22 THR 8 1HG2 THR 8 18.511 -3.482 -4.954 36 HG23 THR 8 2HG2 THR 8 19.354 -1.934 -4.892 37 H ARG 9 H ARG 9 14.653 -1.304 -5.243 38 HA ARG 9 HA ARG 9 14.909 -1.865 -2.425 39 HB2 ARG 9 1HB ARG 9 12.607 -1.599 -4.330 40 HB3 ARG 9 2HB ARG 9 12.357 -2.293 -2.734 41 HG2 ARG 9 1HG ARG 9 11.826 -0.025 -2.514 42 HG3 ARG 9 2HG ARG 9 13.438 -0.189 -1.814 43 HD2 ARG 9 1HD ARG 9 14.281 0.446 -4.165 44 HD3 ARG 9 2HD ARG 9 12.634 1.011 -4.440 45 HE ARG 9 HE ARG 9 13.906 2.034 -2.053 46 HH11 ARG 9 1HH1 ARG 9 13.239 2.519 -5.435 47 HH12 ARG 9 2HH1 ARG 9 13.484 4.233 -5.371 48 HH21 ARG 9 1HH2 ARG 9 14.232 4.289 -1.956 49 HH22 ARG 9 2HH2 ARG 9 14.050 5.239 -3.392 50 H GLU 10 H GLU 10 15.064 -3.805 -1.504 51 HA GLU 10 HA GLU 10 15.046 -6.168 -3.181 52 HB2 GLU 10 1HB GLU 10 16.710 -5.573 -1.261 53 HB3 GLU 10 2HB GLU 10 15.454 -6.214 -0.211 54 HG2 GLU 10 1HG GLU 10 15.709 -8.358 -0.975 55 HG3 GLU 10 2HG GLU 10 16.360 -7.842 -2.530 56 H LYS 11 H LYS 11 12.523 -5.063 -3.037 57 HA LYS 11 HA LYS 11 11.076 -7.183 -1.622 58 HB2 LYS 11 1HB LYS 11 10.804 -4.255 -1.225 59 HB3 LYS 11 2HB LYS 11 9.311 -5.179 -1.305 60 HG2 LYS 11 1HG LYS 11 9.745 -6.316 0.637 61 HG3 LYS 11 2HG LYS 11 11.493 -6.129 0.483 62 HD2 LYS 11 1HD LYS 11 9.716 -3.757 0.945 63 HD3 LYS 11 2HD LYS 11 10.262 -4.762 2.290 64 HE2 LYS 11 1HE LYS 11 12.540 -4.277 1.838 65 HE3 LYS 11 2HE LYS 11 12.147 -3.546 0.283 66 HZ1 LYS 11 3HZ LYS 11 10.736 -2.225 2.335 67 HZ2 LYS 11 1HZ LYS 11 11.893 -1.597 1.272 68 HZ3 LYS 11 2HZ LYS 11 12.377 -2.279 2.742 69 HA PRO 12 HA PRO 12 9.044 -7.569 -5.516 70 HB2 PRO 12 1HB PRO 12 6.903 -9.026 -4.703 71 HB3 PRO 12 2HB PRO 12 8.527 -9.708 -4.856 72 HG2 PRO 12 1HG PRO 12 7.100 -8.747 -2.406 73 HG3 PRO 12 2HG PRO 12 8.089 -10.203 -2.627 74 HD2 PRO 12 1HD PRO 12 9.038 -7.963 -1.437 75 HD3 PRO 12 2HD PRO 12 10.069 -9.045 -2.395 76 H TYR 13 H TYR 13 7.042 -6.692 -2.707 77 HA TYR 13 HA TYR 13 5.074 -5.400 -4.386 78 HB2 TYR 13 1HB TYR 13 5.330 -5.512 -1.374 79 HB3 TYR 13 2HB TYR 13 3.951 -4.860 -2.253 80 HD1 TYR 13 HD2 TYR 13 2.559 -6.408 -3.658 81 HD2 TYR 13 HD1 TYR 13 5.543 -7.836 -0.982 82 HE1 TYR 13 HE2 TYR 13 1.535 -8.643 -3.718 83 HE2 TYR 13 HE1 TYR 13 4.527 -10.076 -1.036 84 HH TYR 13 HH TYR 13 1.735 -10.813 -1.723 85 H GLU 14 H GLU 14 5.108 -3.344 -4.999 86 HA GLU 14 HA GLU 14 6.626 -1.403 -3.400 87 HB2 GLU 14 1HB GLU 14 7.042 -2.158 -6.230 88 HB3 GLU 14 2HB GLU 14 7.047 -0.433 -5.890 89 HG2 GLU 14 1HG GLU 14 8.976 -0.526 -4.704 90 HG3 GLU 14 2HG GLU 14 8.675 -2.164 -4.127 91 H CYS 15 H CYS 15 5.775 0.645 -3.308 92 HA CYS 15 HA CYS 15 2.997 0.910 -3.860 93 HB2 CYS 15 1HB CYS 15 4.168 2.009 -1.949 94 HB3 CYS 15 2HB CYS 15 4.965 3.077 -3.099 95 H SER 16 H SER 16 2.025 1.565 -5.655 96 HA SER 16 HA SER 16 3.595 2.454 -7.907 97 HB2 SER 16 1HB SER 16 1.526 0.870 -7.917 98 HB3 SER 16 2HB SER 16 0.591 2.365 -7.881 99 HG SER 16 HG SER 16 1.471 2.956 -9.821 100 H GLU 17 H GLU 17 3.034 4.135 -5.397 101 HA GLU 17 HA GLU 17 2.021 6.519 -6.804 102 HB2 GLU 17 1HB GLU 17 2.006 6.073 -3.819 103 HB3 GLU 17 2HB GLU 17 1.223 7.372 -4.707 104 HG2 GLU 17 1HG GLU 17 0.005 5.322 -5.870 105 HG3 GLU 17 2HG GLU 17 0.391 4.558 -4.330 106 H CYS 18 H CYS 18 4.241 5.491 -4.217 107 HA CYS 18 HA CYS 18 5.937 7.809 -4.868 108 HB2 CYS 18 1HB CYS 18 6.857 7.576 -2.584 109 HB3 CYS 18 2HB CYS 18 5.123 7.880 -2.577 110 H GLY 19 H GLY 19 5.957 4.357 -4.090 111 HA2 GLY 19 1HA GLY 19 7.451 3.044 -5.614 112 HA3 GLY 19 2HA GLY 19 8.693 4.217 -5.201 113 H LYS 20 H LYS 20 6.748 3.599 -2.546 114 HA LYS 20 HA LYS 20 8.708 2.602 -0.912 115 HB2 LYS 20 1HB LYS 20 6.291 3.389 -0.373 116 HB3 LYS 20 2HB LYS 20 5.864 1.695 -0.577 117 HG2 LYS 20 1HG LYS 20 6.937 1.048 1.323 118 HG3 LYS 20 2HG LYS 20 8.131 2.344 1.223 119 HD2 LYS 20 1HD LYS 20 6.289 3.952 1.795 120 HD3 LYS 20 2HD LYS 20 5.257 2.555 2.108 121 HE2 LYS 20 1HE LYS 20 7.904 3.025 3.470 122 HE3 LYS 20 2HE LYS 20 6.356 3.545 4.135 123 HZ1 LYS 20 3HZ LYS 20 7.197 1.360 4.965 124 HZ2 LYS 20 1HZ LYS 20 6.944 0.730 3.415 125 HZ3 LYS 20 2HZ LYS 20 5.636 1.315 4.315 126 H ALA 21 H ALA 21 8.419 0.343 0.255 127 HA ALA 21 HA ALA 21 8.016 -1.790 -1.707 128 HB1 ALA 21 3HB ALA 21 10.418 -2.195 -0.089 129 HB2 ALA 21 1HB ALA 21 10.143 -2.479 -1.808 130 HB3 ALA 21 2HB ALA 21 10.537 -0.858 -1.233 131 H PHE 22 H PHE 22 7.594 -3.833 -0.807 132 HA PHE 22 HA PHE 22 7.458 -4.070 2.091 133 HB2 PHE 22 1HB PHE 22 5.015 -4.432 0.342 134 HB3 PHE 22 2HB PHE 22 5.100 -4.755 2.071 135 HD1 PHE 22 HD1 PHE 22 5.263 -2.091 -0.480 136 HD2 PHE 22 HD2 PHE 22 4.837 -3.029 3.650 137 HE1 PHE 22 HE1 PHE 22 4.626 0.241 -0.019 138 HE2 PHE 22 HE2 PHE 22 4.199 -0.699 4.117 139 HZ PHE 22 HZ PHE 22 4.092 0.939 2.281 140 H ILE 23 H ILE 23 6.802 -6.307 2.750 141 HA ILE 23 HA ILE 23 8.098 -8.220 0.967 142 HB ILE 23 HB ILE 23 7.190 -8.584 3.824 143 HG12 ILE 23 1HG1 ILE 23 9.855 -8.610 4.000 144 HG13 ILE 23 2HG1 ILE 23 9.703 -7.564 2.592 145 HG21 ILE 23 1HG2 ILE 23 8.904 -10.298 2.033 146 HG22 ILE 23 2HG2 ILE 23 8.690 -10.555 3.763 147 HG23 ILE 23 3HG2 ILE 23 7.310 -10.695 2.674 148 HD11 ILE 23 3HD1 ILE 23 9.230 -5.842 3.888 149 HD12 ILE 23 1HD1 ILE 23 7.871 -6.708 4.604 150 HD13 ILE 23 2HD1 ILE 23 9.484 -6.868 5.299 151 H ARG 24 H ARG 24 5.004 -7.632 2.542 152 HA ARG 24 HA ARG 24 3.842 -9.785 0.900 153 HB2 ARG 24 1HB ARG 24 2.901 -8.914 3.638 154 HB3 ARG 24 2HB ARG 24 2.221 -10.211 2.663 155 HG2 ARG 24 1HG ARG 24 5.036 -10.179 3.728 156 HG3 ARG 24 2HG ARG 24 3.677 -10.996 4.503 157 HD2 ARG 24 1HD ARG 24 3.412 -12.088 2.123 158 HD3 ARG 24 2HD ARG 24 5.117 -11.664 1.981 159 HE ARG 24 HE ARG 24 4.404 -13.095 4.390 160 HH11 ARG 24 1HH1 ARG 24 5.512 -13.311 1.096 161 HH12 ARG 24 2HH1 ARG 24 6.232 -14.873 1.304 162 HH21 ARG 24 1HH2 ARG 24 5.348 -15.152 4.675 163 HH22 ARG 24 2HH2 ARG 24 6.138 -15.920 3.339 164 H ASN 25 H ASN 25 2.062 -9.299 -0.277 165 HA ASN 25 HA ASN 25 1.472 -6.800 -1.137 166 HB2 ASN 25 1HB ASN 25 0.521 -9.152 -1.834 167 HB3 ASN 25 2HB ASN 25 -0.819 -8.696 -0.787 168 HD21 ASN 25 1HD2 ASN 25 -0.858 -5.954 -1.282 169 HD22 ASN 25 2HD2 ASN 25 -1.368 -5.697 -2.913 170 H SER 26 H SER 26 -0.417 -8.485 1.380 171 HA SER 26 HA SER 26 -2.195 -6.573 2.095 172 HB2 SER 26 1HB SER 26 -0.725 -8.639 3.670 173 HB3 SER 26 2HB SER 26 -1.679 -7.447 4.552 174 HG SER 26 HG SER 26 -2.879 -9.336 3.992 175 H GLN 27 H GLN 27 1.195 -6.720 3.106 176 HA GLN 27 HA GLN 27 1.176 -4.566 4.887 177 HB2 GLN 27 1HB GLN 27 3.452 -5.436 3.099 178 HB3 GLN 27 2HB GLN 27 3.590 -4.486 4.572 179 HG2 GLN 27 1HG GLN 27 2.289 -7.147 4.743 180 HG3 GLN 27 2HG GLN 27 4.038 -7.083 4.536 181 HE21 GLN 27 1HE2 GLN 27 4.902 -7.500 6.443 182 HE22 GLN 27 2HE2 GLN 27 4.465 -6.753 7.938 183 H LEU 28 H LEU 28 1.722 -4.654 1.389 184 HA LEU 28 HA LEU 28 2.327 -1.905 1.108 185 HB2 LEU 28 1HB LEU 28 3.004 -3.281 -0.654 186 HB3 LEU 28 2HB LEU 28 1.423 -4.049 -0.779 187 HG LEU 28 HG LEU 28 0.519 -1.929 -1.698 188 HD11 LEU 28 1HD1 LEU 28 2.799 -0.638 -2.610 189 HD12 LEU 28 2HD1 LEU 28 3.134 -0.980 -0.913 190 HD13 LEU 28 3HD1 LEU 28 1.690 -0.071 -1.361 191 HD21 LEU 28 3HD2 LEU 28 0.899 -3.245 -3.483 192 HD22 LEU 28 1HD2 LEU 28 2.545 -3.631 -2.981 193 HD23 LEU 28 2HD2 LEU 28 2.209 -2.107 -3.803 194 H ILE 29 H ILE 29 -0.673 -3.730 0.513 195 HA ILE 29 HA ILE 29 -2.349 -1.769 -0.347 196 HB ILE 29 HB ILE 29 -3.019 -3.923 1.661 197 HG12 ILE 29 1HG1 ILE 29 -3.491 -3.905 -1.321 198 HG13 ILE 29 2HG1 ILE 29 -2.052 -4.603 -0.587 199 HG21 ILE 29 1HG2 ILE 29 -4.756 -2.306 1.756 200 HG22 ILE 29 2HG2 ILE 29 -4.785 -2.140 0.001 201 HG23 ILE 29 3HG2 ILE 29 -5.345 -3.633 0.755 202 HD11 ILE 29 3HD1 ILE 29 -3.141 -6.496 -0.284 203 HD12 ILE 29 1HD1 ILE 29 -4.297 -5.667 0.759 204 HD13 ILE 29 2HD1 ILE 29 -4.598 -5.781 -0.975 205 H VAL 30 H VAL 30 -1.752 -2.556 3.080 206 HA VAL 30 HA VAL 30 -3.325 -0.630 4.265 207 HB VAL 30 HB VAL 30 -0.626 -1.619 5.197 208 HG11 VAL 30 1HG1 VAL 30 -2.593 -0.748 7.188 209 HG12 VAL 30 2HG1 VAL 30 -0.850 -0.477 7.117 210 HG13 VAL 30 3HG1 VAL 30 -1.942 0.548 6.184 211 HG21 VAL 30 3HG2 VAL 30 -2.087 -3.059 6.681 212 HG22 VAL 30 1HG2 VAL 30 -3.438 -2.587 5.650 213 HG23 VAL 30 2HG2 VAL 30 -2.076 -3.475 4.967 214 H HIS 31 H HIS 31 -0.058 -0.302 2.964 215 HA HIS 31 HA HIS 31 0.392 2.338 3.878 216 HB2 HIS 31 1HB HIS 31 2.268 0.987 3.211 217 HB3 HIS 31 2HB HIS 31 1.605 0.776 1.593 218 HD1 HIS 31 HD1 HIS 31 2.728 3.689 3.778 219 HD2 HIS 31 HD2 HIS 31 2.713 2.467 -0.193 220 HE1 HIS 31 HE1 HIS 31 3.960 5.483 2.518 221 H GLN 32 H GLN 32 -0.943 1.020 0.883 222 HA GLN 32 HA GLN 32 -1.099 3.392 -0.584 223 HB2 GLN 32 1HB GLN 32 -2.935 0.991 -0.650 224 HB3 GLN 32 2HB GLN 32 -2.882 2.253 -1.874 225 HG2 GLN 32 1HG GLN 32 -0.432 1.657 -2.165 226 HG3 GLN 32 2HG GLN 32 -0.782 0.220 -1.207 227 HE21 GLN 32 1HE2 GLN 32 -0.265 1.084 -4.206 228 HE22 GLN 32 2HE2 GLN 32 -1.342 0.038 -5.061 229 H ARG 33 H ARG 33 -3.137 2.125 1.954 230 HA ARG 33 HA ARG 33 -5.444 3.619 1.590 231 HB2 ARG 33 1HB ARG 33 -4.154 2.878 4.222 232 HB3 ARG 33 2HB ARG 33 -5.838 3.327 3.988 233 HG2 ARG 33 1HG ARG 33 -5.810 1.311 2.308 234 HG3 ARG 33 2HG ARG 33 -4.430 0.805 3.286 235 HD2 ARG 33 1HD ARG 33 -6.941 1.653 4.651 236 HD3 ARG 33 2HD ARG 33 -6.875 0.059 3.899 237 HE ARG 33 HE ARG 33 -4.611 0.181 5.408 238 HH11 ARG 33 1HH1 ARG 33 -8.005 0.617 6.048 239 HH12 ARG 33 2HH1 ARG 33 -7.901 0.060 7.685 240 HH21 ARG 33 1HH2 ARG 33 -4.461 -0.555 7.562 241 HH22 ARG 33 2HH2 ARG 33 -5.885 -0.606 8.545 242 H THR 34 H THR 34 -2.388 4.528 3.089 243 HA THR 34 HA THR 34 -3.214 6.992 4.173 244 HB THR 34 HB THR 34 -0.875 7.562 4.347 245 HG1 THR 34 HG1 THR 34 0.222 7.021 2.598 246 HG21 THR 34 3HG2 THR 34 0.018 5.460 5.394 247 HG22 THR 34 1HG2 THR 34 -1.421 4.630 4.803 248 HG23 THR 34 2HG2 THR 34 -1.578 5.947 5.965 249 H HIS 35 H HIS 35 -1.960 6.104 0.996 250 HA HIS 35 HA HIS 35 -1.642 8.736 0.012 251 HB2 HIS 35 1HB HIS 35 -1.752 6.010 -1.175 252 HB3 HIS 35 2HB HIS 35 -2.022 7.372 -2.258 253 HD1 HIS 35 HD1 HIS 35 -0.021 9.270 -2.098 254 HD2 HIS 35 HD2 HIS 35 0.863 5.413 -0.830 255 HE1 HIS 35 HE1 HIS 35 2.489 9.118 -2.108 256 H SER 36 H SER 36 -4.330 6.444 -0.085 257 HA SER 36 HA SER 36 -5.996 8.047 -1.742 258 HB2 SER 36 1HB SER 36 -7.773 6.490 -1.140 259 HB3 SER 36 2HB SER 36 -6.290 5.597 -1.478 260 HG SER 36 HG SER 36 -6.798 4.739 0.399 261 H GLY 37 H GLY 37 -7.771 9.331 -1.190 262 HA2 GLY 37 1HA GLY 37 -9.255 10.122 0.634 263 HA3 GLY 37 2HA GLY 37 -7.810 10.225 1.627 264 H GLU 38 H GLU 38 -9.738 12.312 0.970 265 HA GLU 38 HA GLU 38 -9.776 14.520 0.420 266 HB2 GLU 38 1HB GLU 38 -6.880 13.977 0.882 267 HB3 GLU 38 2HB GLU 38 -7.331 15.518 0.168 268 HG2 GLU 38 1HG GLU 38 -8.605 16.133 2.055 269 HG3 GLU 38 2HG GLU 38 -8.546 14.500 2.716 270 H SER 39 H SER 39 -10.114 12.751 -1.696 271 HA SER 39 HA SER 39 -8.478 13.635 -3.914 272 HB2 SER 39 1HB SER 39 -9.140 11.333 -3.961 273 HB3 SER 39 2HB SER 39 -10.837 11.754 -3.726 274 HG SER 39 HG SER 39 -9.303 12.528 -5.983 275 H GLY 40 H GLY 40 -9.158 14.872 -5.657 276 HA2 GLY 40 1HA GLY 40 -11.776 15.792 -6.088 277 HA3 GLY 40 2HA GLY 40 -10.930 16.981 -5.108 278 HA PRO 41 HA PRO 41 -9.371 18.785 -8.792 279 HB2 PRO 41 1HB PRO 41 -7.131 19.974 -7.822 280 HB3 PRO 41 2HB PRO 41 -8.759 20.577 -7.491 281 HG2 PRO 41 1HG PRO 41 -6.978 18.891 -5.774 282 HG3 PRO 41 2HG PRO 41 -7.989 20.274 -5.318 283 HD2 PRO 41 1HD PRO 41 -8.747 17.711 -4.886 284 HD3 PRO 41 2HD PRO 41 -9.911 19.004 -5.238 285 H SER 42 H SER 42 -7.256 18.987 -10.052 286 HA SER 42 HA SER 42 -6.361 16.671 -11.037 287 HB2 SER 42 1HB SER 42 -4.184 17.821 -11.578 288 HB3 SER 42 2HB SER 42 -5.625 18.737 -12.017 289 HG SER 42 HG SER 42 -5.345 19.864 -9.988 290 H SER 43 H SER 43 -5.134 14.980 -10.467 291 HA SER 43 HA SER 43 -4.593 14.171 -7.978 292 HB2 SER 43 1HB SER 43 -4.164 12.744 -9.903 293 HB3 SER 43 2HB SER 43 -2.784 13.739 -10.368 294 HG SER 43 HG SER 43 -2.734 11.656 -8.817 295 H GLY 44 H GLY 44 -2.884 14.234 -6.485 296 HA2 GLY 44 1HA GLY 44 -1.804 16.599 -5.772 297 HA3 GLY 44 2HA GLY 44 -0.993 15.075 -5.445 Start of MODEL 4 1 H1 GLY 1 H GLY 1 38.691 -2.257 -2.764 2 HA2 GLY 1 1HA GLY 1 36.049 -2.144 -2.702 3 HA3 GLY 1 2HA GLY 1 36.962 -2.002 -1.207 4 H SER 2 H SER 2 34.423 -0.739 -2.584 5 HA SER 2 HA SER 2 34.770 1.829 -1.280 6 HB2 SER 2 1HB SER 2 35.553 2.216 -3.610 7 HB3 SER 2 2HB SER 2 33.975 1.692 -4.199 8 HG SER 2 HG SER 2 33.321 3.469 -2.524 9 H SER 3 H SER 3 33.030 2.101 -0.068 10 HA SER 3 HA SER 3 30.655 0.562 -0.458 11 HB2 SER 3 1HB SER 3 31.242 2.846 1.441 12 HB3 SER 3 2HB SER 3 29.800 1.833 1.501 13 HG SER 3 HG SER 3 31.924 0.242 1.432 14 H GLY 4 H GLY 4 29.494 1.045 -2.244 15 HA2 GLY 4 1HA GLY 4 29.184 3.597 -3.372 16 HA3 GLY 4 2HA GLY 4 28.133 2.220 -3.669 17 H SER 5 H SER 5 26.091 2.786 -3.363 18 HA SER 5 HA SER 5 25.448 4.722 -1.255 19 HB2 SER 5 1HB SER 5 24.001 3.825 -3.739 20 HB3 SER 5 2HB SER 5 23.161 4.691 -2.454 21 HG SER 5 HG SER 5 23.941 6.430 -3.314 22 H SER 6 H SER 6 24.502 1.539 -2.490 23 HA SER 6 HA SER 6 23.395 -0.207 -1.539 24 HB2 SER 6 1HB SER 6 25.359 0.170 0.086 25 HB3 SER 6 2HB SER 6 24.165 0.907 1.153 26 HG SER 6 HG SER 6 24.608 -1.724 0.589 27 H GLY 7 H GLY 7 21.786 1.957 -2.190 28 HA2 GLY 7 1HA GLY 7 19.760 1.821 -0.045 29 HA3 GLY 7 2HA GLY 7 20.077 3.311 -0.921 30 H THR 8 H THR 8 19.539 -0.091 -1.847 31 HA THR 8 HA THR 8 17.431 0.858 -3.676 32 HB THR 8 HB THR 8 18.021 -0.943 -5.229 33 HG1 THR 8 HG1 THR 8 19.135 -2.104 -3.292 34 HG21 THR 8 3HG2 THR 8 20.583 -0.055 -5.478 35 HG22 THR 8 1HG2 THR 8 19.863 1.227 -4.505 36 HG23 THR 8 2HG2 THR 8 19.163 0.808 -6.068 37 H ARG 9 H ARG 9 15.511 0.187 -2.996 38 HA ARG 9 HA ARG 9 15.047 -1.752 -1.053 39 HB2 ARG 9 1HB ARG 9 13.268 -0.565 -3.175 40 HB3 ARG 9 2HB ARG 9 12.670 -1.736 -2.007 41 HG2 ARG 9 1HG ARG 9 14.075 0.740 -1.094 42 HG3 ARG 9 2HG ARG 9 12.366 0.776 -1.533 43 HD2 ARG 9 1HD ARG 9 11.801 -0.773 0.160 44 HD3 ARG 9 2HD ARG 9 13.489 -1.201 0.433 45 HE ARG 9 HE ARG 9 13.442 1.422 1.039 46 HH11 ARG 9 1HH1 ARG 9 11.462 -1.266 2.027 47 HH12 ARG 9 2HH1 ARG 9 11.107 -0.600 3.586 48 HH21 ARG 9 1HH2 ARG 9 12.982 2.309 3.090 49 HH22 ARG 9 2HH2 ARG 9 11.971 1.434 4.190 50 H GLU 10 H GLU 10 14.442 -3.896 -1.105 51 HA GLU 10 HA GLU 10 14.920 -5.274 -3.663 52 HB2 GLU 10 1HB GLU 10 15.567 -7.230 -2.346 53 HB3 GLU 10 2HB GLU 10 16.547 -5.834 -1.920 54 HG2 GLU 10 1HG GLU 10 15.364 -5.518 0.113 55 HG3 GLU 10 2HG GLU 10 14.137 -6.698 -0.347 56 H LYS 11 H LYS 11 12.809 -5.047 -0.865 57 HA LYS 11 HA LYS 11 11.128 -7.111 -0.969 58 HB2 LYS 11 1HB LYS 11 10.641 -4.201 -0.601 59 HB3 LYS 11 2HB LYS 11 9.232 -5.233 -0.806 60 HG2 LYS 11 1HG LYS 11 9.413 -5.313 1.451 61 HG3 LYS 11 2HG LYS 11 10.470 -6.667 1.043 62 HD2 LYS 11 1HD LYS 11 12.385 -5.499 1.549 63 HD3 LYS 11 2HD LYS 11 11.640 -3.930 1.232 64 HE2 LYS 11 1HE LYS 11 11.710 -3.842 3.506 65 HE3 LYS 11 2HE LYS 11 10.151 -4.641 3.307 66 HZ1 LYS 11 3HZ LYS 11 11.589 -5.719 4.967 67 HZ2 LYS 11 1HZ LYS 11 12.722 -6.058 3.757 68 HZ3 LYS 11 2HZ LYS 11 11.183 -6.757 3.695 69 HA PRO 12 HA PRO 12 9.502 -7.551 -5.037 70 HB2 PRO 12 1HB PRO 12 7.277 -8.991 -4.451 71 HB3 PRO 12 2HB PRO 12 8.905 -9.678 -4.405 72 HG2 PRO 12 1HG PRO 12 7.209 -8.672 -2.152 73 HG3 PRO 12 2HG PRO 12 8.211 -10.132 -2.232 74 HD2 PRO 12 1HD PRO 12 9.025 -7.874 -0.979 75 HD3 PRO 12 2HD PRO 12 10.155 -8.974 -1.794 76 H TYR 13 H TYR 13 7.014 -6.834 -2.577 77 HA TYR 13 HA TYR 13 5.291 -5.541 -4.446 78 HB2 TYR 13 1HB TYR 13 5.288 -5.482 -1.421 79 HB3 TYR 13 2HB TYR 13 3.986 -4.893 -2.449 80 HD1 TYR 13 HD2 TYR 13 2.545 -6.451 -3.648 81 HD2 TYR 13 HD1 TYR 13 5.660 -7.857 -1.115 82 HE1 TYR 13 HE2 TYR 13 1.541 -8.696 -3.670 83 HE2 TYR 13 HE1 TYR 13 4.666 -10.107 -1.131 84 HH TYR 13 HH TYR 13 1.794 -10.844 -1.747 85 H GLU 14 H GLU 14 5.050 -3.420 -4.926 86 HA GLU 14 HA GLU 14 6.663 -1.459 -3.456 87 HB2 GLU 14 1HB GLU 14 6.884 -2.199 -6.312 88 HB3 GLU 14 2HB GLU 14 6.885 -0.475 -5.964 89 HG2 GLU 14 1HG GLU 14 8.897 -0.539 -4.923 90 HG3 GLU 14 2HG GLU 14 8.667 -2.185 -4.335 91 H CYS 15 H CYS 15 5.843 0.638 -3.426 92 HA CYS 15 HA CYS 15 2.997 0.820 -3.811 93 HB2 CYS 15 1HB CYS 15 4.215 1.831 -1.863 94 HB3 CYS 15 2HB CYS 15 4.915 3.002 -2.976 95 H SER 16 H SER 16 1.979 1.567 -5.546 96 HA SER 16 HA SER 16 3.501 2.620 -7.764 97 HB2 SER 16 1HB SER 16 1.595 0.975 -8.004 98 HB3 SER 16 2HB SER 16 0.500 2.292 -7.582 99 HG SER 16 HG SER 16 2.235 2.130 -9.819 100 H GLU 17 H GLU 17 2.980 4.149 -5.174 101 HA GLU 17 HA GLU 17 1.830 6.566 -6.405 102 HB2 GLU 17 1HB GLU 17 1.980 5.953 -3.451 103 HB3 GLU 17 2HB GLU 17 1.132 7.289 -4.217 104 HG2 GLU 17 1HG GLU 17 0.375 4.526 -4.992 105 HG3 GLU 17 2HG GLU 17 -0.123 5.118 -3.408 106 H CYS 18 H CYS 18 4.302 5.381 -4.154 107 HA CYS 18 HA CYS 18 5.885 7.793 -4.762 108 HB2 CYS 18 1HB CYS 18 6.896 7.561 -2.511 109 HB3 CYS 18 2HB CYS 18 5.162 7.860 -2.444 110 H GLY 19 H GLY 19 5.937 4.331 -4.078 111 HA2 GLY 19 1HA GLY 19 7.406 3.051 -5.634 112 HA3 GLY 19 2HA GLY 19 8.649 4.232 -5.251 113 H LYS 20 H LYS 20 6.838 3.613 -2.521 114 HA LYS 20 HA LYS 20 8.884 2.558 -1.013 115 HB2 LYS 20 1HB LYS 20 6.623 3.483 -0.246 116 HB3 LYS 20 2HB LYS 20 5.993 1.864 -0.517 117 HG2 LYS 20 1HG LYS 20 7.147 0.968 1.249 118 HG3 LYS 20 2HG LYS 20 8.409 2.201 1.190 119 HD2 LYS 20 1HD LYS 20 6.779 3.859 2.028 120 HD3 LYS 20 2HD LYS 20 5.574 2.575 2.158 121 HE2 LYS 20 1HE LYS 20 8.229 2.321 3.520 122 HE3 LYS 20 2HE LYS 20 6.931 3.259 4.257 123 HZ1 LYS 20 3HZ LYS 20 7.193 0.393 3.947 124 HZ2 LYS 20 1HZ LYS 20 5.651 1.004 3.615 125 HZ3 LYS 20 2HZ LYS 20 6.365 1.284 5.122 126 H ALA 21 H ALA 21 8.581 0.323 0.191 127 HA ALA 21 HA ALA 21 8.003 -1.787 -1.765 128 HB1 ALA 21 3HB ALA 21 10.077 -2.683 -1.761 129 HB2 ALA 21 1HB ALA 21 10.548 -1.027 -1.378 130 HB3 ALA 21 2HB ALA 21 10.393 -2.222 -0.089 131 H PHE 22 H PHE 22 7.497 -3.824 -0.865 132 HA PHE 22 HA PHE 22 7.267 -4.015 2.034 133 HB2 PHE 22 1HB PHE 22 4.874 -4.436 0.232 134 HB3 PHE 22 2HB PHE 22 4.910 -4.589 1.986 135 HD1 PHE 22 HD1 PHE 22 5.434 -2.131 -0.751 136 HD2 PHE 22 HD2 PHE 22 4.386 -2.771 3.324 137 HE1 PHE 22 HE1 PHE 22 4.827 0.244 -0.538 138 HE2 PHE 22 HE2 PHE 22 3.776 -0.398 3.544 139 HZ PHE 22 HZ PHE 22 3.995 1.113 1.611 140 H ILE 23 H ILE 23 6.935 -6.168 2.796 141 HA ILE 23 HA ILE 23 8.160 -8.143 1.099 142 HB ILE 23 HB ILE 23 7.001 -8.511 3.863 143 HG12 ILE 23 1HG1 ILE 23 9.638 -8.435 4.302 144 HG13 ILE 23 2HG1 ILE 23 9.579 -7.379 2.895 145 HG21 ILE 23 1HG2 ILE 23 9.119 -10.126 2.457 146 HG22 ILE 23 2HG2 ILE 23 8.325 -10.489 3.989 147 HG23 ILE 23 3HG2 ILE 23 7.410 -10.561 2.484 148 HD11 ILE 23 3HD1 ILE 23 7.595 -6.791 4.972 149 HD12 ILE 23 1HD1 ILE 23 9.277 -6.552 5.443 150 HD13 ILE 23 2HD1 ILE 23 8.626 -5.707 4.038 151 H ARG 24 H ARG 24 4.961 -7.591 2.494 152 HA ARG 24 HA ARG 24 3.906 -9.662 0.686 153 HB2 ARG 24 1HB ARG 24 2.864 -9.027 3.452 154 HB3 ARG 24 2HB ARG 24 2.239 -10.254 2.358 155 HG2 ARG 24 1HG ARG 24 5.059 -10.290 3.391 156 HG3 ARG 24 2HG ARG 24 3.716 -11.063 4.237 157 HD2 ARG 24 1HD ARG 24 3.245 -12.346 2.143 158 HD3 ARG 24 2HD ARG 24 4.730 -11.677 1.466 159 HE ARG 24 HE ARG 24 5.596 -12.782 3.754 160 HH11 ARG 24 1HH1 ARG 24 3.585 -13.998 1.185 161 HH12 ARG 24 2HH1 ARG 24 4.090 -15.643 1.393 162 HH21 ARG 24 1HH2 ARG 24 6.268 -14.943 4.038 163 HH22 ARG 24 2HH2 ARG 24 5.615 -16.179 3.017 164 H ASN 25 H ASN 25 1.978 -9.217 -0.348 165 HA ASN 25 HA ASN 25 1.402 -6.671 -1.138 166 HB2 ASN 25 1HB ASN 25 0.451 -9.007 -1.904 167 HB3 ASN 25 2HB ASN 25 -0.882 -8.581 -0.835 168 HD21 ASN 25 1HD2 ASN 25 -0.784 -5.779 -1.283 169 HD22 ASN 25 2HD2 ASN 25 -1.355 -5.489 -2.887 170 H SER 26 H SER 26 -0.469 -8.463 1.317 171 HA SER 26 HA SER 26 -2.236 -6.585 2.133 172 HB2 SER 26 1HB SER 26 -1.847 -8.941 3.075 173 HB3 SER 26 2HB SER 26 -0.692 -8.184 4.172 174 HG SER 26 HG SER 26 -2.528 -6.726 4.696 175 H GLN 27 H GLN 27 1.190 -6.693 2.933 176 HA GLN 27 HA GLN 27 1.169 -4.622 4.854 177 HB2 GLN 27 1HB GLN 27 3.447 -5.445 3.047 178 HB3 GLN 27 2HB GLN 27 3.579 -4.558 4.560 179 HG2 GLN 27 1HG GLN 27 2.265 -7.217 4.612 180 HG3 GLN 27 2HG GLN 27 4.016 -7.153 4.417 181 HE21 GLN 27 1HE2 GLN 27 4.734 -7.805 6.343 182 HE22 GLN 27 2HE2 GLN 27 4.344 -7.060 7.853 183 H LEU 28 H LEU 28 1.859 -4.616 1.369 184 HA LEU 28 HA LEU 28 2.441 -1.877 1.149 185 HB2 LEU 28 1HB LEU 28 3.101 -3.174 -0.660 186 HB3 LEU 28 2HB LEU 28 1.539 -3.983 -0.773 187 HG LEU 28 HG LEU 28 0.555 -1.924 -1.685 188 HD11 LEU 28 1HD1 LEU 28 1.653 0.044 -1.918 189 HD12 LEU 28 2HD1 LEU 28 3.223 -0.728 -2.143 190 HD13 LEU 28 3HD1 LEU 28 2.539 -0.576 -0.524 191 HD21 LEU 28 3HD2 LEU 28 2.174 -3.743 -2.966 192 HD22 LEU 28 1HD2 LEU 28 2.808 -2.189 -3.507 193 HD23 LEU 28 2HD2 LEU 28 1.104 -2.577 -3.747 194 H ILE 29 H ILE 29 -0.575 -3.609 0.351 195 HA ILE 29 HA ILE 29 -2.200 -1.570 -0.384 196 HB ILE 29 HB ILE 29 -2.967 -3.830 1.466 197 HG12 ILE 29 1HG1 ILE 29 -3.443 -3.704 -1.500 198 HG13 ILE 29 2HG1 ILE 29 -1.913 -4.293 -0.858 199 HG21 ILE 29 1HG2 ILE 29 -4.533 -1.804 1.272 200 HG22 ILE 29 2HG2 ILE 29 -4.827 -2.366 -0.372 201 HG23 ILE 29 3HG2 ILE 29 -5.213 -3.408 0.997 202 HD11 ILE 29 3HD1 ILE 29 -4.437 -5.638 -1.101 203 HD12 ILE 29 1HD1 ILE 29 -2.845 -6.291 -0.714 204 HD13 ILE 29 2HD1 ILE 29 -3.875 -5.657 0.571 205 H VAL 30 H VAL 30 -1.672 -2.589 2.991 206 HA VAL 30 HA VAL 30 -3.253 -0.775 4.304 207 HB VAL 30 HB VAL 30 -0.509 -1.715 5.152 208 HG11 VAL 30 1HG1 VAL 30 -2.518 -1.060 7.192 209 HG12 VAL 30 2HG1 VAL 30 -0.784 -0.734 7.157 210 HG13 VAL 30 3HG1 VAL 30 -1.899 0.321 6.287 211 HG21 VAL 30 3HG2 VAL 30 -2.665 -2.958 6.547 212 HG22 VAL 30 1HG2 VAL 30 -2.938 -3.117 4.812 213 HG23 VAL 30 2HG2 VAL 30 -1.434 -3.700 5.525 214 H HIS 31 H HIS 31 -0.031 -0.260 2.961 215 HA HIS 31 HA HIS 31 0.291 2.364 4.025 216 HB2 HIS 31 1HB HIS 31 2.262 1.143 3.422 217 HB3 HIS 31 2HB HIS 31 1.677 0.895 1.779 218 HD1 HIS 31 HD1 HIS 31 2.595 3.846 4.006 219 HD2 HIS 31 HD2 HIS 31 2.717 2.664 0.025 220 HE1 HIS 31 HE1 HIS 31 3.765 5.709 2.788 221 H GLN 32 H GLN 32 -0.876 1.066 0.956 222 HA GLN 32 HA GLN 32 -1.051 3.442 -0.490 223 HB2 GLN 32 1HB GLN 32 -2.796 0.978 -0.608 224 HB3 GLN 32 2HB GLN 32 -2.831 2.271 -1.799 225 HG2 GLN 32 1HG GLN 32 -0.360 1.824 -2.143 226 HG3 GLN 32 2HG GLN 32 -0.605 0.351 -1.206 227 HE21 GLN 32 1HE2 GLN 32 -0.439 1.541 -4.240 228 HE22 GLN 32 2HE2 GLN 32 -1.370 0.353 -5.080 229 H ARG 33 H ARG 33 -3.142 2.116 1.977 230 HA ARG 33 HA ARG 33 -5.469 3.550 1.578 231 HB2 ARG 33 1HB ARG 33 -4.195 2.903 4.243 232 HB3 ARG 33 2HB ARG 33 -5.891 3.278 3.969 233 HG2 ARG 33 1HG ARG 33 -5.787 1.237 2.349 234 HG3 ARG 33 2HG ARG 33 -4.365 0.808 3.302 235 HD2 ARG 33 1HD ARG 33 -6.070 -0.290 4.420 236 HD3 ARG 33 2HD ARG 33 -5.912 1.206 5.338 237 HE ARG 33 HE ARG 33 -7.816 1.817 3.531 238 HH11 ARG 33 1HH1 ARG 33 -7.416 -0.844 5.740 239 HH12 ARG 33 2HH1 ARG 33 -9.117 -1.094 5.950 240 HH21 ARG 33 1HH2 ARG 33 -10.058 1.497 3.800 241 HH22 ARG 33 2HH2 ARG 33 -10.619 0.237 4.846 242 H THR 34 H THR 34 -2.470 4.571 3.130 243 HA THR 34 HA THR 34 -3.409 7.044 4.117 244 HB THR 34 HB THR 34 -1.107 7.659 4.429 245 HG1 THR 34 HG1 THR 34 0.307 5.702 3.441 246 HG21 THR 34 3HG2 THR 34 -0.212 5.585 5.533 247 HG22 THR 34 1HG2 THR 34 -1.595 4.715 4.871 248 HG23 THR 34 2HG2 THR 34 -1.848 6.033 6.015 249 H HIS 35 H HIS 35 -1.987 6.084 1.037 250 HA HIS 35 HA HIS 35 -1.652 8.693 -0.005 251 HB2 HIS 35 1HB HIS 35 -1.673 5.934 -1.127 252 HB3 HIS 35 2HB HIS 35 -1.872 7.275 -2.252 253 HD1 HIS 35 HD1 HIS 35 0.118 9.150 -2.071 254 HD2 HIS 35 HD2 HIS 35 0.911 5.374 -0.529 255 HE1 HIS 35 HE1 HIS 35 2.622 9.008 -1.896 256 H SER 36 H SER 36 -4.297 6.357 -0.163 257 HA SER 36 HA SER 36 -5.908 7.716 -2.013 258 HB2 SER 36 1HB SER 36 -6.118 5.321 -0.906 259 HB3 SER 36 2HB SER 36 -7.172 6.179 0.218 260 HG SER 36 HG SER 36 -7.547 6.583 -2.522 261 H GLY 37 H GLY 37 -6.252 9.855 -1.717 262 HA2 GLY 37 1HA GLY 37 -7.214 10.756 0.915 263 HA3 GLY 37 2HA GLY 37 -6.534 11.792 -0.331 264 H GLU 38 H GLU 38 -9.323 9.711 0.369 265 HA GLU 38 HA GLU 38 -10.917 11.098 -1.626 266 HB2 GLU 38 1HB GLU 38 -10.995 8.572 -1.113 267 HB3 GLU 38 2HB GLU 38 -11.940 9.026 0.298 268 HG2 GLU 38 1HG GLU 38 -13.362 10.334 -1.480 269 HG3 GLU 38 2HG GLU 38 -12.648 9.160 -2.584 270 H SER 39 H SER 39 -10.707 13.174 -0.484 271 HA SER 39 HA SER 39 -12.589 13.386 1.774 272 HB2 SER 39 1HB SER 39 -10.068 14.884 1.129 273 HB3 SER 39 2HB SER 39 -11.313 15.634 2.128 274 HG SER 39 HG SER 39 -10.875 14.286 3.711 275 H GLY 40 H GLY 40 -14.336 13.506 0.227 276 HA2 GLY 40 1HA GLY 40 -15.934 14.717 -0.894 277 HA3 GLY 40 2HA GLY 40 -15.102 16.165 -0.348 278 HA PRO 41 HA PRO 41 -14.571 15.316 -5.013 279 HB2 PRO 41 1HB PRO 41 -16.373 17.109 -5.968 280 HB3 PRO 41 2HB PRO 41 -16.782 15.423 -5.629 281 HG2 PRO 41 1HG PRO 41 -17.264 17.862 -3.961 282 HG3 PRO 41 2HG PRO 41 -18.350 16.499 -4.289 283 HD2 PRO 41 1HD PRO 41 -16.947 16.722 -1.984 284 HD3 PRO 41 2HD PRO 41 -17.339 15.152 -2.715 285 H SER 42 H SER 42 -14.663 17.978 -2.842 286 HA SER 42 HA SER 42 -12.418 19.221 -4.093 287 HB2 SER 42 1HB SER 42 -13.387 21.301 -4.755 288 HB3 SER 42 2HB SER 42 -14.377 20.037 -5.484 289 HG SER 42 HG SER 42 -15.346 21.939 -4.177 290 H SER 43 H SER 43 -11.649 21.104 -2.873 291 HA SER 43 HA SER 43 -12.694 21.161 -0.119 292 HB2 SER 43 1HB SER 43 -9.866 20.886 -1.090 293 HB3 SER 43 2HB SER 43 -10.195 21.641 0.469 294 HG SER 43 HG SER 43 -9.880 19.427 0.745 295 H GLY 44 H GLY 44 -13.577 23.099 0.182 296 HA2 GLY 44 1HA GLY 44 -12.366 25.464 0.489 297 HA3 GLY 44 2HA GLY 44 -12.579 25.421 -1.255 Start of MODEL 5 1 H1 GLY 1 H GLY 1 31.033 10.669 -4.836 2 HA2 GLY 1 1HA GLY 1 30.919 12.337 -2.550 3 HA3 GLY 1 2HA GLY 1 30.065 13.100 -3.883 4 H SER 2 H SER 2 28.027 12.487 -4.322 5 HA SER 2 HA SER 2 26.631 10.871 -2.469 6 HB2 SER 2 1HB SER 2 25.944 12.282 -5.007 7 HB3 SER 2 2HB SER 2 24.831 11.044 -4.423 8 HG SER 2 HG SER 2 25.729 12.857 -2.532 9 H SER 3 H SER 3 27.350 10.348 -5.922 10 HA SER 3 HA SER 3 27.246 8.451 -7.203 11 HB2 SER 3 1HB SER 3 28.785 7.622 -4.750 12 HB3 SER 3 2HB SER 3 28.549 6.516 -6.103 13 HG SER 3 HG SER 3 29.355 8.594 -7.292 14 H GLY 4 H GLY 4 24.833 8.865 -5.891 15 HA2 GLY 4 1HA GLY 4 23.973 6.473 -4.554 16 HA3 GLY 4 2HA GLY 4 22.949 7.801 -5.079 17 H SER 5 H SER 5 21.363 6.877 -6.218 18 HA SER 5 HA SER 5 20.282 5.484 -7.685 19 HB2 SER 5 1HB SER 5 21.160 5.668 -10.008 20 HB3 SER 5 2HB SER 5 21.058 7.227 -9.191 21 HG SER 5 HG SER 5 23.354 5.665 -9.719 22 H SER 6 H SER 6 21.851 4.004 -5.942 23 HA SER 6 HA SER 6 22.485 1.704 -7.631 24 HB2 SER 6 1HB SER 6 24.652 2.737 -7.264 25 HB3 SER 6 2HB SER 6 24.352 2.827 -5.529 26 HG SER 6 HG SER 6 25.134 0.685 -7.085 27 H GLY 7 H GLY 7 21.653 -0.129 -6.846 28 HA2 GLY 7 1HA GLY 7 21.542 -1.452 -4.659 29 HA3 GLY 7 2HA GLY 7 20.617 -0.072 -4.086 30 H THR 8 H THR 8 20.560 -2.992 -5.896 31 HA THR 8 HA THR 8 18.190 -2.687 -7.349 32 HB THR 8 HB THR 8 19.706 -4.573 -7.717 33 HG1 THR 8 HG1 THR 8 17.876 -5.312 -8.499 34 HG21 THR 8 3HG2 THR 8 20.505 -5.247 -5.644 35 HG22 THR 8 1HG2 THR 8 19.374 -6.538 -6.047 36 HG23 THR 8 2HG2 THR 8 18.899 -5.270 -4.917 37 H ARG 9 H ARG 9 16.074 -3.585 -6.928 38 HA ARG 9 HA ARG 9 15.174 -2.968 -4.257 39 HB2 ARG 9 1HB ARG 9 13.802 -3.697 -6.828 40 HB3 ARG 9 2HB ARG 9 12.913 -3.670 -5.311 41 HG2 ARG 9 1HG ARG 9 12.509 -1.551 -6.009 42 HG3 ARG 9 2HG ARG 9 14.014 -1.272 -5.129 43 HD2 ARG 9 1HD ARG 9 15.154 -1.741 -7.399 44 HD3 ARG 9 2HD ARG 9 13.557 -1.449 -8.085 45 HE ARG 9 HE ARG 9 14.088 0.688 -6.418 46 HH11 ARG 9 1HH1 ARG 9 15.485 -0.738 -9.270 47 HH12 ARG 9 2HH1 ARG 9 16.119 0.760 -9.867 48 HH21 ARG 9 1HH2 ARG 9 14.917 2.666 -7.194 49 HH22 ARG 9 2HH2 ARG 9 15.796 2.696 -8.685 50 H GLU 10 H GLU 10 14.776 -4.369 -2.668 51 HA GLU 10 HA GLU 10 15.125 -7.215 -3.207 52 HB2 GLU 10 1HB GLU 10 16.369 -6.101 -1.349 53 HB3 GLU 10 2HB GLU 10 14.831 -5.809 -0.549 54 HG2 GLU 10 1HG GLU 10 16.193 -7.813 0.215 55 HG3 GLU 10 2HG GLU 10 14.483 -8.073 -0.123 56 H LYS 11 H LYS 11 12.779 -5.026 -1.690 57 HA LYS 11 HA LYS 11 10.864 -7.068 -1.159 58 HB2 LYS 11 1HB LYS 11 10.948 -4.105 -0.995 59 HB3 LYS 11 2HB LYS 11 9.358 -4.846 -1.116 60 HG2 LYS 11 1HG LYS 11 9.749 -4.624 1.176 61 HG3 LYS 11 2HG LYS 11 10.074 -6.323 0.828 62 HD2 LYS 11 1HD LYS 11 11.818 -5.540 2.253 63 HD3 LYS 11 2HD LYS 11 12.502 -5.723 0.636 64 HE2 LYS 11 1HE LYS 11 12.653 -3.445 0.299 65 HE3 LYS 11 2HE LYS 11 11.386 -3.083 1.470 66 HZ1 LYS 11 3HZ LYS 11 14.005 -4.196 2.281 67 HZ2 LYS 11 1HZ LYS 11 12.844 -3.439 3.250 68 HZ3 LYS 11 2HZ LYS 11 13.742 -2.531 2.140 69 HA PRO 12 HA PRO 12 9.234 -7.472 -5.258 70 HB2 PRO 12 1HB PRO 12 7.047 -8.940 -4.601 71 HB3 PRO 12 2HB PRO 12 8.679 -9.617 -4.651 72 HG2 PRO 12 1HG PRO 12 7.089 -8.678 -2.295 73 HG3 PRO 12 2HG PRO 12 8.094 -10.130 -2.459 74 HD2 PRO 12 1HD PRO 12 8.956 -7.898 -1.191 75 HD3 PRO 12 2HD PRO 12 10.051 -8.970 -2.087 76 H TYR 13 H TYR 13 6.895 -6.796 -2.646 77 HA TYR 13 HA TYR 13 5.088 -5.452 -4.419 78 HB2 TYR 13 1HB TYR 13 5.146 -5.516 -1.395 79 HB3 TYR 13 2HB TYR 13 3.806 -4.949 -2.385 80 HD1 TYR 13 HD2 TYR 13 2.599 -6.598 -3.856 81 HD2 TYR 13 HD1 TYR 13 5.417 -7.812 -0.908 82 HE1 TYR 13 HE2 TYR 13 1.679 -8.878 -3.924 83 HE2 TYR 13 HE1 TYR 13 4.506 -10.096 -0.969 84 HH TYR 13 HH TYR 13 2.689 -11.336 -1.647 85 H GLU 14 H GLU 14 5.112 -3.390 -5.019 86 HA GLU 14 HA GLU 14 6.603 -1.457 -3.377 87 HB2 GLU 14 1HB GLU 14 6.906 -2.110 -6.251 88 HB3 GLU 14 2HB GLU 14 6.935 -0.403 -5.835 89 HG2 GLU 14 1HG GLU 14 8.908 -0.557 -4.726 90 HG3 GLU 14 2HG GLU 14 8.625 -2.223 -4.225 91 H CYS 15 H CYS 15 5.761 0.607 -3.250 92 HA CYS 15 HA CYS 15 2.948 0.837 -3.705 93 HB2 CYS 15 1HB CYS 15 4.203 1.855 -1.767 94 HB3 CYS 15 2HB CYS 15 4.858 3.035 -2.898 95 H SER 16 H SER 16 1.990 1.451 -5.517 96 HA SER 16 HA SER 16 3.481 2.458 -7.740 97 HB2 SER 16 1HB SER 16 1.492 0.943 -7.942 98 HB3 SER 16 2HB SER 16 0.473 2.294 -7.443 99 HG SER 16 HG SER 16 0.459 2.746 -9.494 100 H GLU 17 H GLU 17 2.515 3.971 -5.030 101 HA GLU 17 HA GLU 17 1.647 6.449 -6.307 102 HB2 GLU 17 1HB GLU 17 1.951 5.789 -3.372 103 HB3 GLU 17 2HB GLU 17 1.226 7.248 -4.032 104 HG2 GLU 17 1HG GLU 17 0.155 4.508 -4.621 105 HG3 GLU 17 2HG GLU 17 -0.356 5.452 -3.223 106 H CYS 18 H CYS 18 4.116 5.434 -3.941 107 HA CYS 18 HA CYS 18 5.754 7.725 -4.803 108 HB2 CYS 18 1HB CYS 18 6.896 7.510 -2.611 109 HB3 CYS 18 2HB CYS 18 5.176 7.853 -2.451 110 H GLY 19 H GLY 19 5.837 4.286 -3.972 111 HA2 GLY 19 1HA GLY 19 7.174 2.942 -5.611 112 HA3 GLY 19 2HA GLY 19 8.454 4.115 -5.336 113 H LYS 20 H LYS 20 6.772 3.554 -2.497 114 HA LYS 20 HA LYS 20 8.878 2.561 -1.049 115 HB2 LYS 20 1HB LYS 20 6.488 3.374 -0.327 116 HB3 LYS 20 2HB LYS 20 6.105 1.658 -0.370 117 HG2 LYS 20 1HG LYS 20 7.446 1.170 1.419 118 HG3 LYS 20 2HG LYS 20 8.515 2.545 1.132 119 HD2 LYS 20 1HD LYS 20 6.546 4.017 1.780 120 HD3 LYS 20 2HD LYS 20 5.769 2.542 2.362 121 HE2 LYS 20 1HE LYS 20 6.779 3.224 4.291 122 HE3 LYS 20 2HE LYS 20 8.080 2.247 3.611 123 HZ1 LYS 20 3HZ LYS 20 8.645 4.567 4.470 124 HZ2 LYS 20 1HZ LYS 20 7.903 5.143 3.063 125 HZ3 LYS 20 2HZ LYS 20 9.250 4.126 2.953 126 H ALA 21 H ALA 21 8.624 0.320 0.201 127 HA ALA 21 HA ALA 21 8.072 -1.825 -1.719 128 HB1 ALA 21 3HB ALA 21 10.643 -0.946 -1.248 129 HB2 ALA 21 1HB ALA 21 10.486 -2.348 -0.189 130 HB3 ALA 21 2HB ALA 21 10.183 -2.511 -1.919 131 H PHE 22 H PHE 22 7.749 -3.898 -0.761 132 HA PHE 22 HA PHE 22 7.622 -4.062 2.136 133 HB2 PHE 22 1HB PHE 22 5.153 -4.525 0.452 134 HB3 PHE 22 2HB PHE 22 5.277 -4.706 2.198 135 HD1 PHE 22 HD1 PHE 22 5.349 -2.261 -0.565 136 HD2 PHE 22 HD2 PHE 22 5.047 -2.854 3.639 137 HE1 PHE 22 HE1 PHE 22 4.702 0.097 -0.282 138 HE2 PHE 22 HE2 PHE 22 4.399 -0.499 3.929 139 HZ PHE 22 HZ PHE 22 4.225 0.980 1.967 140 H ILE 23 H ILE 23 6.726 -6.324 2.759 141 HA ILE 23 HA ILE 23 8.117 -8.261 1.058 142 HB ILE 23 HB ILE 23 7.126 -8.599 3.891 143 HG12 ILE 23 1HG1 ILE 23 8.940 -6.889 3.603 144 HG13 ILE 23 2HG1 ILE 23 9.398 -8.262 4.605 145 HG21 ILE 23 1HG2 ILE 23 8.841 -10.325 2.118 146 HG22 ILE 23 2HG2 ILE 23 8.693 -10.553 3.860 147 HG23 ILE 23 3HG2 ILE 23 7.275 -10.724 2.825 148 HD11 ILE 23 3HD1 ILE 23 10.964 -7.294 2.701 149 HD12 ILE 23 1HD1 ILE 23 10.931 -9.007 3.118 150 HD13 ILE 23 2HD1 ILE 23 10.028 -8.421 1.720 151 H ARG 24 H ARG 24 5.013 -7.716 2.664 152 HA ARG 24 HA ARG 24 3.852 -9.816 0.953 153 HB2 ARG 24 1HB ARG 24 2.829 -8.983 3.670 154 HB3 ARG 24 2HB ARG 24 2.258 -10.324 2.686 155 HG2 ARG 24 1HG ARG 24 4.365 -11.479 2.984 156 HG3 ARG 24 2HG ARG 24 5.006 -10.113 3.899 157 HD2 ARG 24 1HD ARG 24 4.288 -11.857 5.415 158 HD3 ARG 24 2HD ARG 24 3.245 -10.445 5.585 159 HE ARG 24 HE ARG 24 1.852 -11.911 3.851 160 HH11 ARG 24 1HH1 ARG 24 3.438 -12.794 6.822 161 HH12 ARG 24 2HH1 ARG 24 2.322 -14.067 7.191 162 HH21 ARG 24 1HH2 ARG 24 0.377 -13.584 4.326 163 HH22 ARG 24 2HH2 ARG 24 0.582 -14.516 5.771 164 H ASN 25 H ASN 25 2.219 -9.233 -0.341 165 HA ASN 25 HA ASN 25 1.602 -6.745 -1.118 166 HB2 ASN 25 1HB ASN 25 0.650 -9.088 -1.867 167 HB3 ASN 25 2HB ASN 25 -0.713 -8.621 -0.854 168 HD21 ASN 25 1HD2 ASN 25 -0.818 -5.921 -1.301 169 HD22 ASN 25 2HD2 ASN 25 -1.230 -5.624 -2.953 170 H SER 26 H SER 26 -0.232 -8.468 1.407 171 HA SER 26 HA SER 26 -2.091 -6.649 2.126 172 HB2 SER 26 1HB SER 26 -1.999 -8.709 3.321 173 HB3 SER 26 2HB SER 26 -0.372 -8.373 3.914 174 HG SER 26 HG SER 26 -2.830 -7.298 4.738 175 H GLN 27 H GLN 27 1.313 -6.574 3.117 176 HA GLN 27 HA GLN 27 1.180 -4.347 4.799 177 HB2 GLN 27 1HB GLN 27 3.520 -5.107 3.047 178 HB3 GLN 27 2HB GLN 27 3.572 -4.185 4.543 179 HG2 GLN 27 1HG GLN 27 2.441 -6.397 5.484 180 HG3 GLN 27 2HG GLN 27 3.300 -7.098 4.113 181 HE21 GLN 27 1HE2 GLN 27 5.529 -5.415 4.099 182 HE22 GLN 27 2HE2 GLN 27 6.470 -5.740 5.511 183 H LEU 28 H LEU 28 1.712 -4.564 1.307 184 HA LEU 28 HA LEU 28 2.209 -1.817 0.883 185 HB2 LEU 28 1HB LEU 28 2.873 -3.287 -0.821 186 HB3 LEU 28 2HB LEU 28 1.287 -4.054 -0.891 187 HG LEU 28 HG LEU 28 0.364 -2.013 -1.908 188 HD11 LEU 28 1HD1 LEU 28 3.162 -0.997 -2.232 189 HD12 LEU 28 2HD1 LEU 28 2.191 -0.559 -0.827 190 HD13 LEU 28 3HD1 LEU 28 1.634 -0.144 -2.448 191 HD21 LEU 28 3HD2 LEU 28 1.062 -3.741 -3.399 192 HD22 LEU 28 1HD2 LEU 28 2.752 -3.252 -3.266 193 HD23 LEU 28 2HD2 LEU 28 1.592 -2.202 -4.080 194 H ILE 29 H ILE 29 -0.753 -3.749 0.458 195 HA ILE 29 HA ILE 29 -2.480 -1.797 -0.407 196 HB ILE 29 HB ILE 29 -3.100 -4.032 1.528 197 HG12 ILE 29 1HG1 ILE 29 -3.560 -3.963 -1.453 198 HG13 ILE 29 2HG1 ILE 29 -2.082 -4.600 -0.742 199 HG21 ILE 29 1HG2 ILE 29 -5.376 -3.731 1.093 200 HG22 ILE 29 2HG2 ILE 29 -4.763 -2.096 1.333 201 HG23 ILE 29 3HG2 ILE 29 -5.066 -2.692 -0.298 202 HD11 ILE 29 3HD1 ILE 29 -3.544 -6.420 -1.212 203 HD12 ILE 29 1HD1 ILE 29 -3.475 -6.211 0.538 204 HD13 ILE 29 2HD1 ILE 29 -4.877 -5.636 -0.365 205 H VAL 30 H VAL 30 -1.881 -2.699 2.992 206 HA VAL 30 HA VAL 30 -3.503 -0.835 4.224 207 HB VAL 30 HB VAL 30 -0.831 -1.891 5.153 208 HG11 VAL 30 1HG1 VAL 30 -2.278 0.251 6.210 209 HG12 VAL 30 2HG1 VAL 30 -2.637 -1.121 7.260 210 HG13 VAL 30 3HG1 VAL 30 -0.964 -0.635 6.983 211 HG21 VAL 30 3HG2 VAL 30 -3.672 -2.792 5.537 212 HG22 VAL 30 1HG2 VAL 30 -2.304 -3.705 4.901 213 HG23 VAL 30 2HG2 VAL 30 -2.372 -3.298 6.615 214 H HIS 31 H HIS 31 -0.228 -0.439 2.973 215 HA HIS 31 HA HIS 31 0.198 2.162 4.012 216 HB2 HIS 31 1HB HIS 31 2.108 0.892 3.344 217 HB3 HIS 31 2HB HIS 31 1.465 0.658 1.722 218 HD1 HIS 31 HD1 HIS 31 2.480 3.621 3.894 219 HD2 HIS 31 HD2 HIS 31 2.576 2.348 -0.060 220 HE1 HIS 31 HE1 HIS 31 3.690 5.430 2.634 221 H GLN 32 H GLN 32 -0.985 0.976 0.890 222 HA GLN 32 HA GLN 32 -1.144 3.379 -0.481 223 HB2 GLN 32 1HB GLN 32 -2.981 0.985 -0.627 224 HB3 GLN 32 2HB GLN 32 -2.964 2.296 -1.798 225 HG2 GLN 32 1HG GLN 32 -0.473 1.728 -2.079 226 HG3 GLN 32 2HG GLN 32 -0.883 0.213 -1.275 227 HE21 GLN 32 1HE2 GLN 32 -0.360 1.473 -4.180 228 HE22 GLN 32 2HE2 GLN 32 -1.406 0.501 -5.151 229 H ARG 33 H ARG 33 -2.974 2.292 2.203 230 HA ARG 33 HA ARG 33 -5.361 3.732 1.812 231 HB2 ARG 33 1HB ARG 33 -4.000 2.922 4.387 232 HB3 ARG 33 2HB ARG 33 -5.657 3.497 4.259 233 HG2 ARG 33 1HG ARG 33 -6.041 1.547 2.670 234 HG3 ARG 33 2HG ARG 33 -4.491 0.929 3.243 235 HD2 ARG 33 1HD ARG 33 -6.265 -0.078 4.523 236 HD3 ARG 33 2HD ARG 33 -5.357 1.022 5.558 237 HE ARG 33 HE ARG 33 -7.376 2.573 4.684 238 HH11 ARG 33 1HH1 ARG 33 -7.287 -0.604 6.107 239 HH12 ARG 33 2HH1 ARG 33 -8.840 -0.453 6.860 240 HH21 ARG 33 1HH2 ARG 33 -9.422 2.784 5.671 241 HH22 ARG 33 2HH2 ARG 33 -10.054 1.474 6.611 242 H THR 34 H THR 34 -2.204 4.679 2.922 243 HA THR 34 HA THR 34 -3.000 7.146 4.119 244 HB THR 34 HB THR 34 -0.859 5.957 4.648 245 HG1 THR 34 HG1 THR 34 0.383 8.000 4.591 246 HG21 THR 34 3HG2 THR 34 0.579 7.218 2.434 247 HG22 THR 34 1HG2 THR 34 -0.493 5.912 1.931 248 HG23 THR 34 2HG2 THR 34 0.762 5.609 3.132 249 H HIS 35 H HIS 35 -2.073 6.137 0.900 250 HA HIS 35 HA HIS 35 -1.725 8.792 -0.122 251 HB2 HIS 35 1HB HIS 35 -1.807 6.046 -1.301 252 HB3 HIS 35 2HB HIS 35 -2.002 7.433 -2.368 253 HD1 HIS 35 HD1 HIS 35 0.040 9.228 -2.231 254 HD2 HIS 35 HD2 HIS 35 0.776 5.424 -0.732 255 HE1 HIS 35 HE1 HIS 35 2.544 9.024 -2.114 256 H SER 36 H SER 36 -4.322 6.398 -0.137 257 HA SER 36 HA SER 36 -6.066 7.797 -1.858 258 HB2 SER 36 1HB SER 36 -6.386 5.426 -1.383 259 HB3 SER 36 2HB SER 36 -6.684 5.783 0.318 260 HG SER 36 HG SER 36 -8.573 5.488 -1.145 261 H GLY 37 H GLY 37 -5.700 7.781 1.665 262 HA2 GLY 37 1HA GLY 37 -7.827 9.126 2.602 263 HA3 GLY 37 2HA GLY 37 -6.199 9.487 3.156 264 H GLU 38 H GLU 38 -5.156 10.644 0.833 265 HA GLU 38 HA GLU 38 -6.900 12.968 0.387 266 HB2 GLU 38 1HB GLU 38 -4.113 12.914 1.456 267 HB3 GLU 38 2HB GLU 38 -4.580 14.242 0.403 268 HG2 GLU 38 1HG GLU 38 -6.625 14.408 2.026 269 HG3 GLU 38 2HG GLU 38 -5.549 13.553 3.130 270 H SER 39 H SER 39 -6.986 13.671 -1.666 271 HA SER 39 HA SER 39 -5.600 12.144 -3.686 272 HB2 SER 39 1HB SER 39 -7.519 14.466 -3.992 273 HB3 SER 39 2HB SER 39 -6.980 13.390 -5.281 274 HG SER 39 HG SER 39 -8.961 13.040 -3.483 275 H GLY 40 H GLY 40 -3.767 13.544 -2.175 276 HA2 GLY 40 1HA GLY 40 -3.010 16.071 -2.967 277 HA3 GLY 40 2HA GLY 40 -1.877 14.814 -2.494 278 HA PRO 41 HA PRO 41 -1.267 16.032 -6.993 279 HB2 PRO 41 1HB PRO 41 1.298 16.881 -6.727 280 HB3 PRO 41 2HB PRO 41 -0.094 17.949 -6.513 281 HG2 PRO 41 1HG PRO 41 1.570 16.569 -4.442 282 HG3 PRO 41 2HG PRO 41 0.952 18.231 -4.456 283 HD2 PRO 41 1HD PRO 41 -0.227 16.251 -3.035 284 HD3 PRO 41 2HD PRO 41 -1.146 17.591 -3.749 285 H SER 42 H SER 42 1.201 14.696 -4.787 286 HA SER 42 HA SER 42 2.825 13.103 -5.212 287 HB2 SER 42 1HB SER 42 0.838 11.898 -4.321 288 HB3 SER 42 2HB SER 42 0.317 11.588 -5.977 289 HG SER 42 HG SER 42 1.810 10.099 -6.179 290 H SER 43 H SER 43 2.750 14.783 -7.397 291 HA SER 43 HA SER 43 2.747 13.020 -9.741 292 HB2 SER 43 1HB SER 43 1.545 15.307 -9.684 293 HB3 SER 43 2HB SER 43 3.160 16.002 -9.818 294 HG SER 43 HG SER 43 1.838 15.453 -11.822 295 H GLY 44 H GLY 44 4.531 13.227 -11.292 296 HA2 GLY 44 1HA GLY 44 7.087 13.609 -9.869 297 HA3 GLY 44 2HA GLY 44 6.841 12.491 -11.202 Start of MODEL 6 1 H1 GLY 1 H GLY 1 24.806 11.916 -2.976 2 HA2 GLY 1 1HA GLY 1 23.502 11.381 -0.825 3 HA3 GLY 1 2HA GLY 1 22.871 10.045 -1.778 4 H SER 2 H SER 2 23.770 8.215 -1.121 5 HA SER 2 HA SER 2 26.692 8.136 -0.809 6 HB2 SER 2 1HB SER 2 26.525 6.766 1.165 7 HB3 SER 2 2HB SER 2 25.545 8.208 1.426 8 HG SER 2 HG SER 2 24.544 6.151 2.006 9 H SER 3 H SER 3 27.531 5.857 -0.851 10 HA SER 3 HA SER 3 27.070 4.588 -3.193 11 HB2 SER 3 1HB SER 3 28.101 2.597 -2.253 12 HB3 SER 3 2HB SER 3 28.901 4.028 -1.602 13 HG SER 3 HG SER 3 27.588 3.784 0.274 14 H GLY 4 H GLY 4 25.889 2.758 -3.896 15 HA2 GLY 4 1HA GLY 4 23.282 2.531 -2.581 16 HA3 GLY 4 2HA GLY 4 23.661 2.029 -4.222 17 H SER 5 H SER 5 25.247 1.246 -1.140 18 HA SER 5 HA SER 5 24.623 -1.589 -1.654 19 HB2 SER 5 1HB SER 5 26.804 -2.172 -0.672 20 HB3 SER 5 2HB SER 5 26.999 -1.133 -2.084 21 HG SER 5 HG SER 5 27.930 -0.725 0.338 22 H SER 6 H SER 6 22.932 -0.022 -0.145 23 HA SER 6 HA SER 6 23.583 -0.550 2.655 24 HB2 SER 6 1HB SER 6 21.341 1.017 1.364 25 HB3 SER 6 2HB SER 6 21.491 0.770 3.104 26 HG SER 6 HG SER 6 22.686 2.497 3.005 27 H GLY 7 H GLY 7 23.391 -2.866 2.441 28 HA2 GLY 7 1HA GLY 7 22.261 -4.844 2.720 29 HA3 GLY 7 2HA GLY 7 20.926 -3.868 3.316 30 H THR 8 H THR 8 20.871 -6.290 1.677 31 HA THR 8 HA THR 8 20.115 -5.480 -0.980 32 HB THR 8 HB THR 8 19.389 -7.866 -1.228 33 HG1 THR 8 HG1 THR 8 19.542 -7.780 1.447 34 HG21 THR 8 3HG2 THR 8 22.076 -6.880 -0.685 35 HG22 THR 8 1HG2 THR 8 21.498 -7.925 -1.982 36 HG23 THR 8 2HG2 THR 8 21.917 -8.615 -0.414 37 H ARG 9 H ARG 9 18.315 -4.280 -1.148 38 HA ARG 9 HA ARG 9 15.879 -5.285 0.172 39 HB2 ARG 9 1HB ARG 9 16.740 -2.444 -0.370 40 HB3 ARG 9 2HB ARG 9 15.090 -2.878 0.054 41 HG2 ARG 9 1HG ARG 9 15.780 -3.690 2.193 42 HG3 ARG 9 2HG ARG 9 17.482 -3.505 1.766 43 HD2 ARG 9 1HD ARG 9 16.721 -1.683 3.205 44 HD3 ARG 9 2HD ARG 9 17.193 -1.090 1.613 45 HE ARG 9 HE ARG 9 14.407 -1.633 1.725 46 HH11 ARG 9 1HH1 ARG 9 16.823 0.679 2.694 47 HH12 ARG 9 2HH1 ARG 9 15.720 2.015 2.721 48 HH21 ARG 9 1HH2 ARG 9 12.946 0.118 1.757 49 HH22 ARG 9 2HH2 ARG 9 13.515 1.695 2.189 50 H GLU 10 H GLU 10 15.385 -6.568 -1.658 51 HA GLU 10 HA GLU 10 14.535 -5.018 -4.017 52 HB2 GLU 10 1HB GLU 10 16.429 -6.863 -4.140 53 HB3 GLU 10 2HB GLU 10 15.050 -7.953 -4.199 54 HG2 GLU 10 1HG GLU 10 14.201 -6.479 -6.107 55 HG3 GLU 10 2HG GLU 10 15.836 -5.821 -6.149 56 H LYS 11 H LYS 11 12.847 -5.206 -1.851 57 HA LYS 11 HA LYS 11 11.102 -7.326 -1.675 58 HB2 LYS 11 1HB LYS 11 10.881 -4.403 -1.201 59 HB3 LYS 11 2HB LYS 11 9.375 -5.307 -1.301 60 HG2 LYS 11 1HG LYS 11 9.822 -6.526 0.599 61 HG3 LYS 11 2HG LYS 11 11.566 -6.291 0.467 62 HD2 LYS 11 1HD LYS 11 9.698 -4.002 1.006 63 HD3 LYS 11 2HD LYS 11 10.328 -5.012 2.309 64 HE2 LYS 11 1HE LYS 11 12.588 -4.432 1.737 65 HE3 LYS 11 2HE LYS 11 12.049 -3.571 0.296 66 HZ1 LYS 11 3HZ LYS 11 12.380 -1.887 1.816 67 HZ2 LYS 11 1HZ LYS 11 11.793 -2.786 3.124 68 HZ3 LYS 11 2HZ LYS 11 10.719 -2.167 1.974 69 HA PRO 12 HA PRO 12 9.077 -7.553 -5.584 70 HB2 PRO 12 1HB PRO 12 6.882 -8.955 -4.819 71 HB3 PRO 12 2HB PRO 12 8.483 -9.688 -4.977 72 HG2 PRO 12 1HG PRO 12 7.070 -8.734 -2.515 73 HG3 PRO 12 2HG PRO 12 8.011 -10.217 -2.762 74 HD2 PRO 12 1HD PRO 12 9.026 -8.038 -1.515 75 HD3 PRO 12 2HD PRO 12 10.027 -9.133 -2.490 76 H TYR 13 H TYR 13 6.993 -6.767 -2.799 77 HA TYR 13 HA TYR 13 5.091 -5.371 -4.436 78 HB2 TYR 13 1HB TYR 13 5.401 -5.495 -1.429 79 HB3 TYR 13 2HB TYR 13 4.035 -4.773 -2.273 80 HD1 TYR 13 HD2 TYR 13 2.578 -6.260 -3.707 81 HD2 TYR 13 HD1 TYR 13 5.480 -7.813 -1.011 82 HE1 TYR 13 HE2 TYR 13 1.450 -8.445 -3.761 83 HE2 TYR 13 HE1 TYR 13 4.362 -10.003 -1.059 84 HH TYR 13 HH TYR 13 1.690 -10.692 -1.643 85 H GLU 14 H GLU 14 4.891 -3.222 -4.790 86 HA GLU 14 HA GLU 14 6.603 -1.359 -3.333 87 HB2 GLU 14 1HB GLU 14 6.864 -2.061 -6.198 88 HB3 GLU 14 2HB GLU 14 6.934 -0.347 -5.811 89 HG2 GLU 14 1HG GLU 14 8.914 -0.527 -4.719 90 HG3 GLU 14 2HG GLU 14 8.598 -2.177 -4.185 91 H CYS 15 H CYS 15 5.770 0.682 -3.143 92 HA CYS 15 HA CYS 15 2.972 0.984 -3.656 93 HB2 CYS 15 1HB CYS 15 4.192 1.918 -1.658 94 HB3 CYS 15 2HB CYS 15 4.912 3.111 -2.735 95 H SER 16 H SER 16 2.032 1.764 -5.416 96 HA SER 16 HA SER 16 3.612 2.784 -7.589 97 HB2 SER 16 1HB SER 16 1.681 1.319 -8.007 98 HB3 SER 16 2HB SER 16 0.607 2.532 -7.312 99 HG SER 16 HG SER 16 1.414 3.962 -8.999 100 H GLU 17 H GLU 17 2.751 4.234 -4.865 101 HA GLU 17 HA GLU 17 1.921 6.769 -6.084 102 HB2 GLU 17 1HB GLU 17 2.066 6.032 -3.156 103 HB3 GLU 17 2HB GLU 17 1.356 7.491 -3.833 104 HG2 GLU 17 1HG GLU 17 0.335 4.793 -4.616 105 HG3 GLU 17 2HG GLU 17 -0.187 5.561 -3.118 106 H CYS 18 H CYS 18 4.282 5.528 -3.723 107 HA CYS 18 HA CYS 18 5.991 7.846 -4.346 108 HB2 CYS 18 1HB CYS 18 7.044 7.454 -2.135 109 HB3 CYS 18 2HB CYS 18 5.327 7.823 -2.012 110 H GLY 19 H GLY 19 5.944 4.355 -3.803 111 HA2 GLY 19 1HA GLY 19 7.302 3.063 -5.430 112 HA3 GLY 19 2HA GLY 19 8.591 4.214 -5.112 113 H LYS 20 H LYS 20 6.872 3.531 -2.309 114 HA LYS 20 HA LYS 20 8.982 2.475 -0.894 115 HB2 LYS 20 1HB LYS 20 6.568 3.278 -0.170 116 HB3 LYS 20 2HB LYS 20 6.223 1.554 -0.214 117 HG2 LYS 20 1HG LYS 20 7.536 1.101 1.586 118 HG3 LYS 20 2HG LYS 20 8.641 2.438 1.258 119 HD2 LYS 20 1HD LYS 20 7.018 4.032 2.069 120 HD3 LYS 20 2HD LYS 20 5.818 2.755 2.277 121 HE2 LYS 20 1HE LYS 20 8.463 2.848 3.720 122 HE3 LYS 20 2HE LYS 20 6.953 3.467 4.386 123 HZ1 LYS 20 3HZ LYS 20 7.073 0.696 3.412 124 HZ2 LYS 20 1HZ LYS 20 6.085 1.370 4.609 125 HZ3 LYS 20 2HZ LYS 20 7.718 1.068 4.931 126 H ALA 21 H ALA 21 8.580 0.178 0.301 127 HA ALA 21 HA ALA 21 8.062 -1.874 -1.723 128 HB1 ALA 21 3HB ALA 21 10.407 -2.522 -0.138 129 HB2 ALA 21 1HB ALA 21 10.162 -2.602 -1.883 130 HB3 ALA 21 2HB ALA 21 10.637 -1.080 -1.127 131 H PHE 22 H PHE 22 7.800 -4.026 -0.820 132 HA PHE 22 HA PHE 22 7.547 -4.301 2.042 133 HB2 PHE 22 1HB PHE 22 5.081 -4.574 0.313 134 HB3 PHE 22 2HB PHE 22 5.177 -4.846 2.049 135 HD1 PHE 22 HD1 PHE 22 5.407 -2.267 -0.585 136 HD2 PHE 22 HD2 PHE 22 4.983 -3.065 3.575 137 HE1 PHE 22 HE1 PHE 22 4.856 0.098 -0.191 138 HE2 PHE 22 HE2 PHE 22 4.430 -0.701 3.975 139 HZ PHE 22 HZ PHE 22 4.365 0.884 2.091 140 H ILE 23 H ILE 23 6.783 -6.532 2.628 141 HA ILE 23 HA ILE 23 7.965 -8.440 0.750 142 HB ILE 23 HB ILE 23 7.178 -8.901 3.628 143 HG12 ILE 23 1HG1 ILE 23 9.995 -8.521 2.655 144 HG13 ILE 23 2HG1 ILE 23 9.007 -7.131 3.093 145 HG21 ILE 23 1HG2 ILE 23 7.382 -11.022 2.854 146 HG22 ILE 23 2HG2 ILE 23 8.427 -10.550 1.515 147 HG23 ILE 23 3HG2 ILE 23 9.091 -10.699 3.141 148 HD11 ILE 23 3HD1 ILE 23 10.357 -7.744 4.963 149 HD12 ILE 23 1HD1 ILE 23 8.679 -8.144 5.330 150 HD13 ILE 23 2HD1 ILE 23 9.809 -9.418 4.871 151 H ARG 24 H ARG 24 4.964 -7.688 2.387 152 HA ARG 24 HA ARG 24 3.653 -9.819 0.834 153 HB2 ARG 24 1HB ARG 24 2.899 -8.894 3.612 154 HB3 ARG 24 2HB ARG 24 2.054 -10.114 2.669 155 HG2 ARG 24 1HG ARG 24 4.932 -10.366 3.502 156 HG3 ARG 24 2HG ARG 24 3.580 -10.994 4.446 157 HD2 ARG 24 1HD ARG 24 3.744 -11.723 1.569 158 HD3 ARG 24 2HD ARG 24 4.872 -12.491 2.686 159 HE ARG 24 HE ARG 24 2.028 -12.931 2.506 160 HH11 ARG 24 1HH1 ARG 24 4.873 -13.201 4.493 161 HH12 ARG 24 2HH1 ARG 24 4.217 -14.455 5.491 162 HH21 ARG 24 1HH2 ARG 24 1.152 -14.583 3.813 163 HH22 ARG 24 2HH2 ARG 24 2.100 -15.241 5.103 164 H ASN 25 H ASN 25 1.888 -9.247 -0.314 165 HA ASN 25 HA ASN 25 1.378 -6.700 -1.117 166 HB2 ASN 25 1HB ASN 25 0.374 -9.013 -1.882 167 HB3 ASN 25 2HB ASN 25 -0.961 -8.546 -0.832 168 HD21 ASN 25 1HD2 ASN 25 -0.806 -5.756 -1.286 169 HD22 ASN 25 2HD2 ASN 25 -1.342 -5.458 -2.901 170 H SER 26 H SER 26 -0.570 -8.417 1.333 171 HA SER 26 HA SER 26 -2.305 -6.497 2.107 172 HB2 SER 26 1HB SER 26 -2.238 -8.728 3.127 173 HB3 SER 26 2HB SER 26 -0.755 -8.303 3.981 174 HG SER 26 HG SER 26 -3.307 -7.807 4.668 175 H GLN 27 H GLN 27 1.111 -6.652 2.947 176 HA GLN 27 HA GLN 27 1.112 -4.550 4.830 177 HB2 GLN 27 1HB GLN 27 3.387 -5.431 3.048 178 HB3 GLN 27 2HB GLN 27 3.524 -4.526 4.549 179 HG2 GLN 27 1HG GLN 27 2.174 -7.169 4.622 180 HG3 GLN 27 2HG GLN 27 3.927 -7.126 4.449 181 HE21 GLN 27 1HE2 GLN 27 4.615 -7.760 6.392 182 HE22 GLN 27 2HE2 GLN 27 4.213 -6.993 7.887 183 H LEU 28 H LEU 28 1.800 -4.607 1.347 184 HA LEU 28 HA LEU 28 2.445 -1.889 1.078 185 HB2 LEU 28 1HB LEU 28 3.043 -3.263 -0.707 186 HB3 LEU 28 2HB LEU 28 1.437 -3.980 -0.814 187 HG LEU 28 HG LEU 28 0.573 -1.879 -1.746 188 HD11 LEU 28 1HD1 LEU 28 2.934 -0.799 -0.695 189 HD12 LEU 28 2HD1 LEU 28 1.685 0.034 -1.620 190 HD13 LEU 28 3HD1 LEU 28 3.076 -0.666 -2.448 191 HD21 LEU 28 3HD2 LEU 28 2.348 -1.982 -3.798 192 HD22 LEU 28 1HD2 LEU 28 1.023 -3.122 -3.562 193 HD23 LEU 28 2HD2 LEU 28 2.647 -3.531 -3.008 194 H ILE 29 H ILE 29 -0.630 -3.558 0.385 195 HA ILE 29 HA ILE 29 -2.206 -1.477 -0.374 196 HB ILE 29 HB ILE 29 -3.025 -3.690 1.512 197 HG12 ILE 29 1HG1 ILE 29 -3.462 -3.600 -1.464 198 HG13 ILE 29 2HG1 ILE 29 -1.977 -4.252 -0.781 199 HG21 ILE 29 1HG2 ILE 29 -5.291 -3.280 0.751 200 HG22 ILE 29 2HG2 ILE 29 -4.616 -1.819 1.470 201 HG23 ILE 29 3HG2 ILE 29 -4.728 -1.967 -0.283 202 HD11 ILE 29 3HD1 ILE 29 -4.768 -5.295 -0.564 203 HD12 ILE 29 1HD1 ILE 29 -3.304 -6.121 -1.094 204 HD13 ILE 29 2HD1 ILE 29 -3.536 -5.747 0.614 205 H VAL 30 H VAL 30 -1.629 -2.470 2.999 206 HA VAL 30 HA VAL 30 -3.159 -0.575 4.295 207 HB VAL 30 HB VAL 30 -0.483 -1.670 5.174 208 HG11 VAL 30 1HG1 VAL 30 -1.772 0.445 6.288 209 HG12 VAL 30 2HG1 VAL 30 -2.467 -0.900 7.195 210 HG13 VAL 30 3HG1 VAL 30 -0.719 -0.663 7.168 211 HG21 VAL 30 3HG2 VAL 30 -2.621 -2.830 6.591 212 HG22 VAL 30 1HG2 VAL 30 -3.061 -2.879 4.883 213 HG23 VAL 30 2HG2 VAL 30 -1.547 -3.604 5.426 214 H HIS 31 H HIS 31 0.105 -0.262 2.988 215 HA HIS 31 HA HIS 31 0.528 2.369 4.028 216 HB2 HIS 31 1HB HIS 31 2.457 1.017 3.564 217 HB3 HIS 31 2HB HIS 31 1.952 0.771 1.895 218 HD1 HIS 31 HD1 HIS 31 3.345 3.430 4.176 219 HD2 HIS 31 HD2 HIS 31 2.750 2.725 0.125 220 HE1 HIS 31 HE1 HIS 31 4.575 5.272 2.985 221 H GLN 32 H GLN 32 -1.101 1.079 1.302 222 HA GLN 32 HA GLN 32 -0.945 3.498 -0.273 223 HB2 GLN 32 1HB GLN 32 -2.506 0.937 -0.620 224 HB3 GLN 32 2HB GLN 32 -2.590 2.285 -1.747 225 HG2 GLN 32 1HG GLN 32 -0.066 2.059 -1.956 226 HG3 GLN 32 2HG GLN 32 -0.253 0.510 -1.134 227 HE21 GLN 32 1HE2 GLN 32 0.167 1.780 -4.044 228 HE22 GLN 32 2HE2 GLN 32 -0.685 0.643 -5.026 229 H ARG 33 H ARG 33 -3.039 2.110 2.103 230 HA ARG 33 HA ARG 33 -5.468 3.313 1.554 231 HB2 ARG 33 1HB ARG 33 -4.172 2.761 4.227 232 HB3 ARG 33 2HB ARG 33 -5.857 3.222 4.026 233 HG2 ARG 33 1HG ARG 33 -6.054 1.186 2.502 234 HG3 ARG 33 2HG ARG 33 -4.497 0.693 3.171 235 HD2 ARG 33 1HD ARG 33 -6.233 -0.372 4.433 236 HD3 ARG 33 2HD ARG 33 -5.488 0.865 5.444 237 HE ARG 33 HE ARG 33 -7.564 2.191 4.399 238 HH11 ARG 33 1HH1 ARG 33 -7.339 -0.944 5.895 239 HH12 ARG 33 2HH1 ARG 33 -8.954 -0.905 6.521 240 HH21 ARG 33 1HH2 ARG 33 -9.692 2.254 5.217 241 HH22 ARG 33 2HH2 ARG 33 -10.292 0.913 6.134 242 H THR 34 H THR 34 -2.648 4.649 3.216 243 HA THR 34 HA THR 34 -3.865 7.099 3.961 244 HB THR 34 HB THR 34 -1.777 6.196 4.994 245 HG1 THR 34 HG1 THR 34 -2.297 8.394 5.270 246 HG21 THR 34 3HG2 THR 34 0.251 6.138 3.915 247 HG22 THR 34 1HG2 THR 34 -0.206 7.384 2.755 248 HG23 THR 34 2HG2 THR 34 -0.828 5.743 2.577 249 H HIS 35 H HIS 35 -2.022 6.067 1.135 250 HA HIS 35 HA HIS 35 -1.723 8.614 -0.042 251 HB2 HIS 35 1HB HIS 35 -1.483 5.796 -0.965 252 HB3 HIS 35 2HB HIS 35 -1.657 7.038 -2.202 253 HD1 HIS 35 HD1 HIS 35 0.214 8.983 -2.117 254 HD2 HIS 35 HD2 HIS 35 1.040 5.524 0.031 255 HE1 HIS 35 HE1 HIS 35 2.689 9.039 -1.678 256 H SER 36 H SER 36 -4.263 6.184 -0.221 257 HA SER 36 HA SER 36 -5.734 7.606 -2.250 258 HB2 SER 36 1HB SER 36 -6.097 5.084 -0.709 259 HB3 SER 36 2HB SER 36 -7.543 5.846 -1.370 260 HG SER 36 HG SER 36 -5.290 4.836 -2.730 261 H GLY 37 H GLY 37 -6.137 9.647 -1.382 262 HA2 GLY 37 1HA GLY 37 -8.536 9.956 0.039 263 HA3 GLY 37 2HA GLY 37 -7.206 10.140 1.174 264 H GLU 38 H GLU 38 -5.338 11.428 -0.423 265 HA GLU 38 HA GLU 38 -6.455 14.092 -0.448 266 HB2 GLU 38 1HB GLU 38 -4.154 14.822 -0.880 267 HB3 GLU 38 2HB GLU 38 -4.231 13.723 0.490 268 HG2 GLU 38 1HG GLU 38 -3.650 11.897 -1.240 269 HG3 GLU 38 2HG GLU 38 -3.134 13.249 -2.248 270 H SER 39 H SER 39 -4.999 11.872 -2.802 271 HA SER 39 HA SER 39 -5.657 13.690 -4.983 272 HB2 SER 39 1HB SER 39 -4.186 11.046 -4.925 273 HB3 SER 39 2HB SER 39 -4.492 11.970 -6.395 274 HG SER 39 HG SER 39 -3.404 13.749 -5.181 275 H GLY 40 H GLY 40 -7.636 13.626 -5.809 276 HA2 GLY 40 1HA GLY 40 -8.769 11.289 -6.903 277 HA3 GLY 40 2HA GLY 40 -9.525 11.612 -5.349 278 HA PRO 41 HA PRO 41 -12.078 13.886 -8.377 279 HB2 PRO 41 1HB PRO 41 -14.376 13.605 -6.959 280 HB3 PRO 41 2HB PRO 41 -13.765 12.360 -8.054 281 HG2 PRO 41 1HG PRO 41 -13.536 12.541 -5.074 282 HG3 PRO 41 2HG PRO 41 -13.910 11.132 -6.084 283 HD2 PRO 41 1HD PRO 41 -11.445 11.572 -5.054 284 HD3 PRO 41 2HD PRO 41 -11.697 10.767 -6.616 285 H SER 42 H SER 42 -10.977 14.458 -5.274 286 HA SER 42 HA SER 42 -12.573 16.628 -4.447 287 HB2 SER 42 1HB SER 42 -11.020 15.400 -2.951 288 HB3 SER 42 2HB SER 42 -9.657 16.114 -3.813 289 HG SER 42 HG SER 42 -10.651 17.140 -1.762 290 H SER 43 H SER 43 -12.038 18.890 -4.420 291 HA SER 43 HA SER 43 -10.363 19.718 -6.700 292 HB2 SER 43 1HB SER 43 -13.041 20.794 -5.808 293 HB3 SER 43 2HB SER 43 -11.980 21.668 -6.913 294 HG SER 43 HG SER 43 -12.440 20.293 -8.461 295 H GLY 44 H GLY 44 -8.676 20.892 -6.095 296 HA2 GLY 44 1HA GLY 44 -7.593 22.715 -5.100 297 HA3 GLY 44 2HA GLY 44 -8.983 22.939 -4.049 Start of MODEL 7 1 H1 GLY 1 H GLY 1 20.809 20.234 -3.582 2 HA2 GLY 1 1HA GLY 1 22.610 18.436 -3.543 3 HA3 GLY 1 2HA GLY 1 22.278 18.381 -1.818 4 H SER 2 H SER 2 22.077 16.116 -3.371 5 HA SER 2 HA SER 2 19.162 15.693 -3.498 6 HB2 SER 2 1HB SER 2 21.368 14.788 -5.287 7 HB3 SER 2 2HB SER 2 20.014 13.687 -5.033 8 HG SER 2 HG SER 2 18.676 15.078 -5.995 9 H SER 3 H SER 3 18.576 13.322 -3.200 10 HA SER 3 HA SER 3 20.301 12.076 -1.165 11 HB2 SER 3 1HB SER 3 18.400 13.209 -0.067 12 HB3 SER 3 2HB SER 3 17.280 12.271 -1.055 13 HG SER 3 HG SER 3 19.209 10.975 0.532 14 H GLY 4 H GLY 4 20.701 9.971 -1.463 15 HA2 GLY 4 1HA GLY 4 19.572 7.784 -2.040 16 HA3 GLY 4 2HA GLY 4 19.131 8.580 -3.543 17 H SER 5 H SER 5 22.197 8.634 -1.756 18 HA SER 5 HA SER 5 23.743 8.316 -4.105 19 HB2 SER 5 1HB SER 5 25.658 8.147 -2.601 20 HB3 SER 5 2HB SER 5 24.581 9.431 -2.055 21 HG SER 5 HG SER 5 24.767 6.800 -1.007 22 H SER 6 H SER 6 22.746 6.076 -1.556 23 HA SER 6 HA SER 6 23.036 3.841 -3.349 24 HB2 SER 6 1HB SER 6 24.757 3.972 -0.860 25 HB3 SER 6 2HB SER 6 24.600 2.579 -1.930 26 HG SER 6 HG SER 6 25.322 4.174 -3.616 27 H GLY 7 H GLY 7 21.075 2.993 -3.045 28 HA2 GLY 7 1HA GLY 7 20.397 1.693 -0.628 29 HA3 GLY 7 2HA GLY 7 19.507 3.203 -0.746 30 H THR 8 H THR 8 19.430 -0.036 -1.445 31 HA THR 8 HA THR 8 17.152 0.352 -3.245 32 HB THR 8 HB THR 8 17.895 -1.607 -4.617 33 HG1 THR 8 HG1 THR 8 20.375 -1.767 -4.421 34 HG21 THR 8 3HG2 THR 8 19.526 0.920 -4.565 35 HG22 THR 8 1HG2 THR 8 18.185 0.501 -5.631 36 HG23 THR 8 2HG2 THR 8 19.742 -0.309 -5.811 37 H ARG 9 H ARG 9 15.482 -1.031 -2.903 38 HA ARG 9 HA ARG 9 15.811 -2.952 -0.707 39 HB2 ARG 9 1HB ARG 9 14.056 -1.006 -0.740 40 HB3 ARG 9 2HB ARG 9 13.146 -2.100 -1.774 41 HG2 ARG 9 1HG ARG 9 12.323 -2.525 0.354 42 HG3 ARG 9 2HG ARG 9 13.481 -3.829 0.085 43 HD2 ARG 9 1HD ARG 9 14.394 -1.311 1.397 44 HD3 ARG 9 2HD ARG 9 13.472 -2.483 2.336 45 HE ARG 9 HE ARG 9 15.398 -3.998 1.207 46 HH11 ARG 9 1HH1 ARG 9 15.471 -1.031 3.026 47 HH12 ARG 9 2HH1 ARG 9 17.033 -1.337 3.711 48 HH21 ARG 9 1HH2 ARG 9 17.454 -4.413 2.102 49 HH22 ARG 9 2HH2 ARG 9 18.160 -3.260 3.184 50 H GLU 10 H GLU 10 14.820 -5.031 -0.845 51 HA GLU 10 HA GLU 10 14.805 -6.068 -3.580 52 HB2 GLU 10 1HB GLU 10 16.251 -7.126 -1.831 53 HB3 GLU 10 2HB GLU 10 14.790 -7.607 -0.980 54 HG2 GLU 10 1HG GLU 10 14.105 -8.874 -3.008 55 HG3 GLU 10 2HG GLU 10 15.676 -8.498 -3.712 56 H LYS 11 H LYS 11 12.727 -5.537 -0.851 57 HA LYS 11 HA LYS 11 10.657 -7.206 -1.012 58 HB2 LYS 11 1HB LYS 11 10.792 -4.265 -0.632 59 HB3 LYS 11 2HB LYS 11 9.200 -4.951 -0.928 60 HG2 LYS 11 1HG LYS 11 9.359 -4.947 1.380 61 HG3 LYS 11 2HG LYS 11 9.797 -6.603 0.952 62 HD2 LYS 11 1HD LYS 11 12.046 -6.261 1.411 63 HD3 LYS 11 2HD LYS 11 11.917 -4.509 1.237 64 HE2 LYS 11 1HE LYS 11 10.360 -4.667 3.301 65 HE3 LYS 11 2HE LYS 11 11.100 -6.250 3.534 66 HZ1 LYS 11 3HZ LYS 11 13.273 -4.802 3.210 67 HZ2 LYS 11 1HZ LYS 11 12.543 -5.002 4.723 68 HZ3 LYS 11 2HZ LYS 11 12.265 -3.593 3.830 69 HA PRO 12 HA PRO 12 9.337 -7.288 -5.240 70 HB2 PRO 12 1HB PRO 12 7.087 -8.756 -4.853 71 HB3 PRO 12 2HB PRO 12 8.708 -9.459 -4.832 72 HG2 PRO 12 1HG PRO 12 6.961 -8.660 -2.537 73 HG3 PRO 12 2HG PRO 12 7.955 -10.115 -2.732 74 HD2 PRO 12 1HD PRO 12 8.750 -7.996 -1.246 75 HD3 PRO 12 2HD PRO 12 9.894 -9.023 -2.134 76 H TYR 13 H TYR 13 6.821 -6.752 -2.764 77 HA TYR 13 HA TYR 13 5.120 -5.306 -4.535 78 HB2 TYR 13 1HB TYR 13 5.109 -5.419 -1.511 79 HB3 TYR 13 2HB TYR 13 3.804 -4.802 -2.520 80 HD1 TYR 13 HD2 TYR 13 2.592 -6.396 -4.047 81 HD2 TYR 13 HD1 TYR 13 5.313 -7.729 -1.060 82 HE1 TYR 13 HE2 TYR 13 1.621 -8.651 -4.177 83 HE2 TYR 13 HE1 TYR 13 4.350 -9.989 -1.183 84 HH TYR 13 HH TYR 13 1.434 -10.667 -2.646 85 H GLU 14 H GLU 14 5.169 -3.230 -5.088 86 HA GLU 14 HA GLU 14 6.663 -1.348 -3.390 87 HB2 GLU 14 1HB GLU 14 7.024 -1.964 -6.268 88 HB3 GLU 14 2HB GLU 14 7.081 -0.265 -5.819 89 HG2 GLU 14 1HG GLU 14 9.021 -0.485 -4.663 90 HG3 GLU 14 2HG GLU 14 8.689 -2.155 -4.206 91 H CYS 15 H CYS 15 5.860 0.735 -3.269 92 HA CYS 15 HA CYS 15 3.060 1.015 -3.813 93 HB2 CYS 15 1HB CYS 15 4.253 1.953 -1.795 94 HB3 CYS 15 2HB CYS 15 4.965 3.158 -2.863 95 H SER 16 H SER 16 2.202 1.671 -5.660 96 HA SER 16 HA SER 16 3.806 2.747 -7.770 97 HB2 SER 16 1HB SER 16 1.861 2.603 -9.120 98 HB3 SER 16 2HB SER 16 1.762 1.229 -8.019 99 HG SER 16 HG SER 16 -0.122 2.856 -8.380 100 H GLU 17 H GLU 17 2.822 4.192 -5.075 101 HA GLU 17 HA GLU 17 1.988 6.707 -6.325 102 HB2 GLU 17 1HB GLU 17 2.084 5.962 -3.397 103 HB3 GLU 17 2HB GLU 17 1.399 7.434 -4.069 104 HG2 GLU 17 1HG GLU 17 0.374 4.753 -4.904 105 HG3 GLU 17 2HG GLU 17 -0.174 5.510 -3.409 106 H CYS 18 H CYS 18 4.328 5.529 -3.912 107 HA CYS 18 HA CYS 18 6.017 7.859 -4.547 108 HB2 CYS 18 1HB CYS 18 7.011 7.557 -2.297 109 HB3 CYS 18 2HB CYS 18 5.285 7.899 -2.231 110 H GLY 19 H GLY 19 5.995 4.386 -3.893 111 HA2 GLY 19 1HA GLY 19 7.426 3.083 -5.464 112 HA3 GLY 19 2HA GLY 19 8.695 4.239 -5.088 113 H LYS 20 H LYS 20 6.844 3.587 -2.369 114 HA LYS 20 HA LYS 20 8.872 2.546 -0.836 115 HB2 LYS 20 1HB LYS 20 6.464 3.360 -0.208 116 HB3 LYS 20 2HB LYS 20 6.053 1.656 -0.345 117 HG2 LYS 20 1HG LYS 20 7.233 1.075 1.512 118 HG3 LYS 20 2HG LYS 20 8.404 2.380 1.312 119 HD2 LYS 20 1HD LYS 20 6.341 3.907 1.826 120 HD3 LYS 20 2HD LYS 20 5.686 2.436 2.551 121 HE2 LYS 20 1HE LYS 20 6.810 3.744 4.242 122 HE3 LYS 20 2HE LYS 20 7.713 2.259 3.946 123 HZ1 LYS 20 3HZ LYS 20 9.048 4.376 4.119 124 HZ2 LYS 20 1HZ LYS 20 8.400 4.814 2.618 125 HZ3 LYS 20 2HZ LYS 20 9.347 3.420 2.756 126 H ALA 21 H ALA 21 8.486 0.264 0.341 127 HA ALA 21 HA ALA 21 8.041 -1.817 -1.671 128 HB1 ALA 21 3HB ALA 21 10.592 -0.975 -1.039 129 HB2 ALA 21 1HB ALA 21 10.368 -2.410 -0.037 130 HB3 ALA 21 2HB ALA 21 10.156 -2.512 -1.786 131 H PHE 22 H PHE 22 7.620 -3.900 -0.801 132 HA PHE 22 HA PHE 22 7.367 -4.164 2.081 133 HB2 PHE 22 1HB PHE 22 4.961 -4.522 0.283 134 HB3 PHE 22 2HB PHE 22 5.009 -4.744 2.029 135 HD1 PHE 22 HD1 PHE 22 5.322 -2.223 -0.659 136 HD2 PHE 22 HD2 PHE 22 4.684 -2.938 3.488 137 HE1 PHE 22 HE1 PHE 22 4.714 0.141 -0.349 138 HE2 PHE 22 HE2 PHE 22 4.074 -0.575 3.805 139 HZ PHE 22 HZ PHE 22 4.088 0.967 1.885 140 H ILE 23 H ILE 23 6.785 -6.379 2.728 141 HA ILE 23 HA ILE 23 8.028 -8.296 0.921 142 HB ILE 23 HB ILE 23 7.134 -8.629 3.788 143 HG12 ILE 23 1HG1 ILE 23 9.983 -8.539 2.854 144 HG13 ILE 23 2HG1 ILE 23 9.107 -7.038 3.134 145 HG21 ILE 23 1HG2 ILE 23 7.177 -10.720 2.429 146 HG22 ILE 23 2HG2 ILE 23 8.895 -10.439 2.146 147 HG23 ILE 23 3HG2 ILE 23 8.305 -10.715 3.785 148 HD11 ILE 23 3HD1 ILE 23 9.488 -7.188 5.302 149 HD12 ILE 23 1HD1 ILE 23 8.728 -8.778 5.363 150 HD13 ILE 23 2HD1 ILE 23 10.450 -8.636 5.007 151 H ARG 24 H ARG 24 4.942 -7.699 2.512 152 HA ARG 24 HA ARG 24 3.753 -9.802 0.826 153 HB2 ARG 24 1HB ARG 24 2.832 -9.020 3.597 154 HB3 ARG 24 2HB ARG 24 2.163 -10.297 2.590 155 HG2 ARG 24 1HG ARG 24 5.000 -10.281 3.587 156 HG3 ARG 24 2HG ARG 24 3.664 -11.071 4.429 157 HD2 ARG 24 1HD ARG 24 4.404 -11.663 1.571 158 HD3 ARG 24 2HD ARG 24 5.056 -12.557 2.944 159 HE ARG 24 HE ARG 24 2.204 -12.468 2.971 160 HH11 ARG 24 1HH1 ARG 24 4.951 -14.073 1.558 161 HH12 ARG 24 2HH1 ARG 24 4.090 -15.541 1.232 162 HH21 ARG 24 1HH2 ARG 24 1.060 -14.395 2.547 163 HH22 ARG 24 2HH2 ARG 24 1.877 -15.722 1.794 164 H ASN 25 H ASN 25 2.019 -9.237 -0.363 165 HA ASN 25 HA ASN 25 1.413 -6.721 -1.110 166 HB2 ASN 25 1HB ASN 25 0.435 -9.055 -1.860 167 HB3 ASN 25 2HB ASN 25 -0.899 -8.593 -0.808 168 HD21 ASN 25 1HD2 ASN 25 -0.876 -5.839 -1.251 169 HD22 ASN 25 2HD2 ASN 25 -1.379 -5.542 -2.877 170 H SER 26 H SER 26 -0.471 -8.478 1.361 171 HA SER 26 HA SER 26 -2.236 -6.599 2.161 172 HB2 SER 26 1HB SER 26 -1.851 -8.925 3.146 173 HB3 SER 26 2HB SER 26 -0.654 -8.169 4.198 174 HG SER 26 HG SER 26 -2.660 -6.640 4.499 175 H GLN 27 H GLN 27 1.190 -6.692 2.999 176 HA GLN 27 HA GLN 27 1.159 -4.570 4.855 177 HB2 GLN 27 1HB GLN 27 3.446 -5.424 3.074 178 HB3 GLN 27 2HB GLN 27 3.569 -4.507 4.569 179 HG2 GLN 27 1HG GLN 27 2.265 -7.171 4.665 180 HG3 GLN 27 2HG GLN 27 4.017 -7.101 4.482 181 HE21 GLN 27 1HE2 GLN 27 4.728 -7.708 6.426 182 HE22 GLN 27 2HE2 GLN 27 4.320 -6.938 7.918 183 H LEU 28 H LEU 28 1.755 -4.654 1.362 184 HA LEU 28 HA LEU 28 2.384 -1.926 1.063 185 HB2 LEU 28 1HB LEU 28 2.978 -3.334 -0.709 186 HB3 LEU 28 2HB LEU 28 1.364 -4.036 -0.807 187 HG LEU 28 HG LEU 28 0.518 -1.924 -1.738 188 HD11 LEU 28 1HD1 LEU 28 1.740 -0.037 -1.982 189 HD12 LEU 28 2HD1 LEU 28 3.249 -0.912 -2.238 190 HD13 LEU 28 3HD1 LEU 28 2.613 -0.712 -0.606 191 HD21 LEU 28 3HD2 LEU 28 1.325 -2.263 -3.909 192 HD22 LEU 28 1HD2 LEU 28 1.513 -3.830 -3.121 193 HD23 LEU 28 2HD2 LEU 28 2.912 -2.777 -3.335 194 H ILE 29 H ILE 29 -0.675 -3.652 0.452 195 HA ILE 29 HA ILE 29 -2.289 -1.594 -0.314 196 HB ILE 29 HB ILE 29 -3.050 -3.819 1.582 197 HG12 ILE 29 1HG1 ILE 29 -3.518 -3.720 -1.391 198 HG13 ILE 29 2HG1 ILE 29 -2.031 -4.376 -0.716 199 HG21 ILE 29 1HG2 ILE 29 -5.289 -3.367 1.170 200 HG22 ILE 29 2HG2 ILE 29 -4.587 -1.759 1.342 201 HG23 ILE 29 3HG2 ILE 29 -4.933 -2.402 -0.263 202 HD11 ILE 29 3HD1 ILE 29 -4.733 -5.508 -0.799 203 HD12 ILE 29 1HD1 ILE 29 -3.160 -6.306 -0.777 204 HD13 ILE 29 2HD1 ILE 29 -3.874 -5.721 0.726 205 H VAL 30 H VAL 30 -1.668 -2.572 3.056 206 HA VAL 30 HA VAL 30 -3.210 -0.727 4.384 207 HB VAL 30 HB VAL 30 -0.463 -1.695 5.189 208 HG11 VAL 30 1HG1 VAL 30 -2.586 -0.794 7.094 209 HG12 VAL 30 2HG1 VAL 30 -0.843 -0.921 7.338 210 HG13 VAL 30 3HG1 VAL 30 -1.504 0.380 6.347 211 HG21 VAL 30 3HG2 VAL 30 -2.986 -3.028 4.973 212 HG22 VAL 30 1HG2 VAL 30 -1.426 -3.674 5.484 213 HG23 VAL 30 2HG2 VAL 30 -2.509 -2.944 6.669 214 H HIS 31 H HIS 31 -0.021 -0.274 2.951 215 HA HIS 31 HA HIS 31 0.367 2.356 3.986 216 HB2 HIS 31 1HB HIS 31 2.288 1.038 3.337 217 HB3 HIS 31 2HB HIS 31 1.683 0.893 1.689 218 HD1 HIS 31 HD1 HIS 31 2.738 3.685 4.053 219 HD2 HIS 31 HD2 HIS 31 2.758 2.718 0.013 220 HE1 HIS 31 HE1 HIS 31 3.962 5.566 2.918 221 H GLN 32 H GLN 32 -0.854 1.044 0.941 222 HA GLN 32 HA GLN 32 -1.037 3.422 -0.506 223 HB2 GLN 32 1HB GLN 32 -2.761 0.944 -0.614 224 HB3 GLN 32 2HB GLN 32 -2.835 2.244 -1.796 225 HG2 GLN 32 1HG GLN 32 -0.294 1.805 -2.060 226 HG3 GLN 32 2HG GLN 32 -0.665 0.255 -1.307 227 HE21 GLN 32 1HE2 GLN 32 -0.001 1.423 -4.139 228 HE22 GLN 32 2HE2 GLN 32 -1.065 0.525 -5.161 229 H ARG 33 H ARG 33 -3.113 2.083 1.968 230 HA ARG 33 HA ARG 33 -5.439 3.531 1.578 231 HB2 ARG 33 1HB ARG 33 -4.208 2.883 4.261 232 HB3 ARG 33 2HB ARG 33 -5.909 3.176 3.924 233 HG2 ARG 33 1HG ARG 33 -5.815 1.154 2.404 234 HG3 ARG 33 2HG ARG 33 -4.238 0.817 3.121 235 HD2 ARG 33 1HD ARG 33 -6.906 0.952 4.511 236 HD3 ARG 33 2HD ARG 33 -5.865 -0.457 4.313 237 HE ARG 33 HE ARG 33 -4.613 1.693 5.744 238 HH11 ARG 33 1HH1 ARG 33 -6.696 -1.083 6.016 239 HH12 ARG 33 2HH1 ARG 33 -6.347 -1.344 7.693 240 HH21 ARG 33 1HH2 ARG 33 -4.145 1.360 7.951 241 HH22 ARG 33 2HH2 ARG 33 -4.896 0.047 8.793 242 H THR 34 H THR 34 -2.381 4.548 2.936 243 HA THR 34 HA THR 34 -3.306 6.991 4.061 244 HB THR 34 HB THR 34 -0.980 7.610 4.281 245 HG1 THR 34 HG1 THR 34 -0.388 6.786 2.132 246 HG21 THR 34 3HG2 THR 34 -0.082 5.539 5.390 247 HG22 THR 34 1HG2 THR 34 -1.498 4.681 4.784 248 HG23 THR 34 2HG2 THR 34 -1.696 6.020 5.915 249 H HIS 35 H HIS 35 -1.998 6.077 0.920 250 HA HIS 35 HA HIS 35 -1.756 8.741 -0.066 251 HB2 HIS 35 1HB HIS 35 -1.658 6.008 -1.285 252 HB3 HIS 35 2HB HIS 35 -1.795 7.415 -2.336 253 HD1 HIS 35 HD1 HIS 35 0.199 9.198 -2.120 254 HD2 HIS 35 HD2 HIS 35 0.868 5.485 -0.382 255 HE1 HIS 35 HE1 HIS 35 2.684 9.061 -1.763 256 H SER 36 H SER 36 -4.250 6.253 -0.240 257 HA SER 36 HA SER 36 -5.929 7.479 -2.114 258 HB2 SER 36 1HB SER 36 -6.147 5.126 -1.282 259 HB3 SER 36 2HB SER 36 -6.801 5.767 0.224 260 HG SER 36 HG SER 36 -7.905 5.945 -2.377 261 H GLY 37 H GLY 37 -7.644 8.892 -1.947 262 HA2 GLY 37 1HA GLY 37 -9.202 10.237 -0.763 263 HA3 GLY 37 2HA GLY 37 -8.215 10.064 0.680 264 H GLU 38 H GLU 38 -5.790 10.896 0.045 265 HA GLU 38 HA GLU 38 -6.096 13.715 -0.178 266 HB2 GLU 38 1HB GLU 38 -4.343 12.642 1.199 267 HB3 GLU 38 2HB GLU 38 -3.567 12.060 -0.267 268 HG2 GLU 38 1HG GLU 38 -2.400 13.994 0.494 269 HG3 GLU 38 2HG GLU 38 -3.266 14.412 -0.983 270 H SER 39 H SER 39 -5.965 15.010 -1.899 271 HA SER 39 HA SER 39 -6.112 14.078 -4.505 272 HB2 SER 39 1HB SER 39 -5.861 16.365 -5.210 273 HB3 SER 39 2HB SER 39 -6.766 16.370 -3.696 274 HG SER 39 HG SER 39 -4.147 16.500 -3.164 275 H GLY 40 H GLY 40 -4.539 14.750 -6.295 276 HA2 GLY 40 1HA GLY 40 -1.999 15.259 -6.427 277 HA3 GLY 40 2HA GLY 40 -1.882 13.756 -5.524 278 HA PRO 41 HA PRO 41 -3.545 12.742 -9.980 279 HB2 PRO 41 1HB PRO 41 -3.044 14.652 -11.842 280 HB3 PRO 41 2HB PRO 41 -4.547 14.587 -10.913 281 HG2 PRO 41 1HG PRO 41 -2.121 16.286 -10.476 282 HG3 PRO 41 2HG PRO 41 -3.834 16.736 -10.382 283 HD2 PRO 41 1HD PRO 41 -2.339 16.222 -8.183 284 HD3 PRO 41 2HD PRO 41 -4.076 15.863 -8.263 285 H SER 42 H SER 42 -1.860 11.279 -9.976 286 HA SER 42 HA SER 42 0.772 12.183 -10.879 287 HB2 SER 42 1HB SER 42 1.505 9.882 -10.247 288 HB3 SER 42 2HB SER 42 0.789 10.776 -8.905 289 HG SER 42 HG SER 42 0.083 8.501 -9.305 290 H SER 43 H SER 43 1.916 10.443 -12.310 291 HA SER 43 HA SER 43 0.229 10.122 -14.670 292 HB2 SER 43 1HB SER 43 3.214 9.694 -14.408 293 HB3 SER 43 2HB SER 43 2.291 9.824 -15.905 294 HG SER 43 HG SER 43 2.545 11.873 -13.955 295 H GLY 44 H GLY 44 -0.945 8.289 -14.534 296 HA2 GLY 44 1HA GLY 44 -1.150 5.990 -14.980 297 HA3 GLY 44 2HA GLY 44 0.531 5.773 -14.518 Start of MODEL 8 1 H1 GLY 1 H GLY 1 19.735 13.586 -17.778 2 HA2 GLY 1 1HA GLY 1 19.238 15.223 -15.700 3 HA3 GLY 1 2HA GLY 1 18.529 13.618 -15.799 4 H SER 2 H SER 2 18.726 14.375 -13.348 5 HA SER 2 HA SER 2 21.185 14.157 -12.026 6 HB2 SER 2 1HB SER 2 18.345 13.714 -11.112 7 HB3 SER 2 2HB SER 2 19.715 13.559 -10.013 8 HG SER 2 HG SER 2 20.093 15.677 -10.151 9 H SER 3 H SER 3 18.849 11.723 -13.011 10 HA SER 3 HA SER 3 18.831 9.440 -12.810 11 HB2 SER 3 1HB SER 3 21.523 10.233 -13.805 12 HB3 SER 3 2HB SER 3 21.294 8.545 -13.349 13 HG SER 3 HG SER 3 19.323 9.704 -14.933 14 H GLY 4 H GLY 4 18.836 10.457 -10.313 15 HA2 GLY 4 1HA GLY 4 20.987 9.181 -8.802 16 HA3 GLY 4 2HA GLY 4 19.754 10.252 -8.152 17 H SER 5 H SER 5 19.836 7.126 -9.872 18 HA SER 5 HA SER 5 18.141 6.019 -7.739 19 HB2 SER 5 1HB SER 5 16.925 4.713 -9.512 20 HB3 SER 5 2HB SER 5 16.635 6.452 -9.566 21 HG SER 5 HG SER 5 18.746 5.463 -11.088 22 H SER 6 H SER 6 19.348 4.532 -6.768 23 HA SER 6 HA SER 6 20.626 2.474 -8.405 24 HB2 SER 6 1HB SER 6 22.020 4.325 -6.516 25 HB3 SER 6 2HB SER 6 22.573 2.653 -6.620 26 HG SER 6 HG SER 6 22.463 3.188 -9.040 27 H GLY 7 H GLY 7 21.368 0.606 -7.026 28 HA2 GLY 7 1HA GLY 7 20.946 -1.007 -5.443 29 HA3 GLY 7 2HA GLY 7 20.382 0.280 -4.388 30 H THR 8 H THR 8 19.484 -2.253 -6.536 31 HA THR 8 HA THR 8 16.751 -1.540 -6.875 32 HB THR 8 HB THR 8 17.886 -3.112 -8.393 33 HG1 THR 8 HG1 THR 8 15.861 -4.632 -7.168 34 HG21 THR 8 3HG2 THR 8 17.783 -5.046 -6.076 35 HG22 THR 8 1HG2 THR 8 19.246 -4.274 -6.687 36 HG23 THR 8 2HG2 THR 8 18.347 -5.396 -7.710 37 H ARG 9 H ARG 9 15.013 -1.925 -5.630 38 HA ARG 9 HA ARG 9 15.366 -2.679 -2.915 39 HB2 ARG 9 1HB ARG 9 12.902 -2.200 -4.589 40 HB3 ARG 9 2HB ARG 9 12.832 -2.593 -2.876 41 HG2 ARG 9 1HG ARG 9 14.163 -0.185 -4.099 42 HG3 ARG 9 2HG ARG 9 12.639 -0.207 -3.209 43 HD2 ARG 9 1HD ARG 9 13.907 -1.098 -1.241 44 HD3 ARG 9 2HD ARG 9 15.392 -0.816 -2.148 45 HE ARG 9 HE ARG 9 15.217 1.403 -1.646 46 HH11 ARG 9 1HH1 ARG 9 12.107 -0.095 -1.192 47 HH12 ARG 9 2HH1 ARG 9 11.377 1.323 -0.516 48 HH21 ARG 9 1HH2 ARG 9 14.267 3.277 -0.757 49 HH22 ARG 9 2HH2 ARG 9 12.606 3.241 -0.270 50 H GLU 10 H GLU 10 15.148 -4.596 -1.930 51 HA GLU 10 HA GLU 10 14.979 -6.975 -3.483 52 HB2 GLU 10 1HB GLU 10 16.288 -6.705 -1.351 53 HB3 GLU 10 2HB GLU 10 14.761 -6.733 -0.481 54 HG2 GLU 10 1HG GLU 10 14.355 -8.981 -1.613 55 HG3 GLU 10 2HG GLU 10 16.066 -8.937 -2.036 56 H LYS 11 H LYS 11 12.772 -5.336 -1.253 57 HA LYS 11 HA LYS 11 10.751 -7.239 -1.140 58 HB2 LYS 11 1HB LYS 11 10.912 -4.304 -0.749 59 HB3 LYS 11 2HB LYS 11 9.306 -4.973 -1.006 60 HG2 LYS 11 1HG LYS 11 9.501 -5.013 1.288 61 HG3 LYS 11 2HG LYS 11 9.974 -6.654 0.844 62 HD2 LYS 11 1HD LYS 11 11.683 -6.140 2.270 63 HD3 LYS 11 2HD LYS 11 12.378 -5.550 0.758 64 HE2 LYS 11 1HE LYS 11 11.359 -3.298 1.351 65 HE3 LYS 11 2HE LYS 11 11.073 -3.966 2.957 66 HZ1 LYS 11 3HZ LYS 11 13.116 -3.203 3.380 67 HZ2 LYS 11 1HZ LYS 11 13.535 -3.079 1.745 68 HZ3 LYS 11 2HZ LYS 11 13.662 -4.566 2.540 69 HA PRO 12 HA PRO 12 9.291 -7.307 -5.324 70 HB2 PRO 12 1HB PRO 12 7.074 -8.805 -4.868 71 HB3 PRO 12 2HB PRO 12 8.703 -9.489 -4.912 72 HG2 PRO 12 1HG PRO 12 7.031 -8.729 -2.548 73 HG3 PRO 12 2HG PRO 12 8.034 -10.171 -2.792 74 HD2 PRO 12 1HD PRO 12 8.859 -8.055 -1.318 75 HD3 PRO 12 2HD PRO 12 9.982 -9.061 -2.255 76 H TYR 13 H TYR 13 6.828 -6.860 -2.776 77 HA TYR 13 HA TYR 13 5.065 -5.402 -4.468 78 HB2 TYR 13 1HB TYR 13 5.154 -5.593 -1.450 79 HB3 TYR 13 2HB TYR 13 3.821 -4.925 -2.386 80 HD1 TYR 13 HD2 TYR 13 2.488 -6.430 -3.869 81 HD2 TYR 13 HD1 TYR 13 5.391 -7.937 -1.148 82 HE1 TYR 13 HE2 TYR 13 1.484 -8.668 -4.047 83 HE2 TYR 13 HE1 TYR 13 4.396 -10.179 -1.318 84 HH TYR 13 HH TYR 13 2.088 -11.129 -1.915 85 H GLU 14 H GLU 14 5.073 -3.319 -4.996 86 HA GLU 14 HA GLU 14 6.629 -1.452 -3.334 87 HB2 GLU 14 1HB GLU 14 6.800 -1.997 -6.239 88 HB3 GLU 14 2HB GLU 14 6.839 -0.303 -5.769 89 HG2 GLU 14 1HG GLU 14 8.862 -0.480 -4.759 90 HG3 GLU 14 2HG GLU 14 8.609 -2.162 -4.296 91 H CYS 15 H CYS 15 5.886 0.708 -3.278 92 HA CYS 15 HA CYS 15 3.021 0.934 -3.544 93 HB2 CYS 15 1HB CYS 15 4.242 1.849 -1.582 94 HB3 CYS 15 2HB CYS 15 5.034 3.006 -2.647 95 H SER 16 H SER 16 1.915 1.971 -5.091 96 HA SER 16 HA SER 16 3.397 3.006 -7.365 97 HB2 SER 16 1HB SER 16 1.259 1.457 -7.365 98 HB3 SER 16 2HB SER 16 0.406 2.997 -7.251 99 HG SER 16 HG SER 16 0.832 3.335 -9.273 100 H GLU 17 H GLU 17 2.974 4.408 -4.658 101 HA GLU 17 HA GLU 17 1.914 6.934 -5.744 102 HB2 GLU 17 1HB GLU 17 2.100 6.247 -2.816 103 HB3 GLU 17 2HB GLU 17 1.189 7.549 -3.568 104 HG2 GLU 17 1HG GLU 17 0.525 4.752 -4.311 105 HG3 GLU 17 2HG GLU 17 0.020 5.348 -2.731 106 H CYS 18 H CYS 18 4.415 5.471 -3.721 107 HA CYS 18 HA CYS 18 6.057 7.880 -4.152 108 HB2 CYS 18 1HB CYS 18 7.123 7.424 -1.958 109 HB3 CYS 18 2HB CYS 18 5.408 7.794 -1.816 110 H GLY 19 H GLY 19 6.023 4.374 -3.688 111 HA2 GLY 19 1HA GLY 19 7.370 3.127 -5.362 112 HA3 GLY 19 2HA GLY 19 8.660 4.272 -5.022 113 H LYS 20 H LYS 20 6.961 3.516 -2.227 114 HA LYS 20 HA LYS 20 9.098 2.398 -0.879 115 HB2 LYS 20 1HB LYS 20 6.754 3.274 -0.057 116 HB3 LYS 20 2HB LYS 20 6.317 1.573 -0.149 117 HG2 LYS 20 1HG LYS 20 7.655 0.988 1.597 118 HG3 LYS 20 2HG LYS 20 8.811 2.286 1.290 119 HD2 LYS 20 1HD LYS 20 7.257 3.920 2.184 120 HD3 LYS 20 2HD LYS 20 6.034 2.668 2.409 121 HE2 LYS 20 1HE LYS 20 8.723 2.758 3.774 122 HE3 LYS 20 2HE LYS 20 7.191 3.233 4.505 123 HZ1 LYS 20 3HZ LYS 20 7.020 0.626 3.393 124 HZ2 LYS 20 1HZ LYS 20 6.742 1.130 4.984 125 HZ3 LYS 20 2HZ LYS 20 8.306 0.717 4.489 126 H ALA 21 H ALA 21 8.778 0.110 0.264 127 HA ALA 21 HA ALA 21 8.062 -1.908 -1.736 128 HB1 ALA 21 3HB ALA 21 10.621 -1.209 -1.585 129 HB2 ALA 21 1HB ALA 21 10.589 -2.369 -0.257 130 HB3 ALA 21 2HB ALA 21 10.115 -2.873 -1.879 131 H PHE 22 H PHE 22 7.675 -4.007 -0.869 132 HA PHE 22 HA PHE 22 7.664 -4.320 2.018 133 HB2 PHE 22 1HB PHE 22 5.107 -4.527 0.414 134 HB3 PHE 22 2HB PHE 22 5.283 -4.879 2.130 135 HD1 PHE 22 HD1 PHE 22 5.426 -2.185 -0.393 136 HD2 PHE 22 HD2 PHE 22 5.185 -3.168 3.741 137 HE1 PHE 22 HE1 PHE 22 4.927 0.166 0.134 138 HE2 PHE 22 HE2 PHE 22 4.685 -0.819 4.274 139 HZ PHE 22 HZ PHE 22 4.555 0.852 2.470 140 H ILE 23 H ILE 23 6.786 -6.557 2.603 141 HA ILE 23 HA ILE 23 7.994 -8.468 0.758 142 HB ILE 23 HB ILE 23 7.016 -8.868 3.588 143 HG12 ILE 23 1HG1 ILE 23 9.895 -8.924 2.787 144 HG13 ILE 23 2HG1 ILE 23 9.107 -7.362 2.980 145 HG21 ILE 23 1HG2 ILE 23 6.935 -10.980 2.609 146 HG22 ILE 23 2HG2 ILE 23 8.362 -10.681 1.619 147 HG23 ILE 23 3HG2 ILE 23 8.531 -10.934 3.355 148 HD11 ILE 23 3HD1 ILE 23 10.227 -9.001 4.964 149 HD12 ILE 23 1HD1 ILE 23 9.360 -7.479 5.169 150 HD13 ILE 23 2HD1 ILE 23 8.482 -9.008 5.222 151 H ARG 24 H ARG 24 4.925 -7.858 2.407 152 HA ARG 24 HA ARG 24 3.652 -9.782 0.573 153 HB2 ARG 24 1HB ARG 24 2.776 -9.112 3.388 154 HB3 ARG 24 2HB ARG 24 2.005 -10.265 2.306 155 HG2 ARG 24 1HG ARG 24 4.345 -11.405 2.297 156 HG3 ARG 24 2HG ARG 24 4.582 -10.490 3.787 157 HD2 ARG 24 1HD ARG 24 3.742 -12.650 4.373 158 HD3 ARG 24 2HD ARG 24 2.458 -11.473 4.644 159 HE ARG 24 HE ARG 24 2.312 -12.664 2.052 160 HH11 ARG 24 1HH1 ARG 24 1.541 -13.133 5.414 161 HH12 ARG 24 2HH1 ARG 24 0.230 -14.219 5.097 162 HH21 ARG 24 1HH2 ARG 24 0.588 -14.094 1.621 163 HH22 ARG 24 2HH2 ARG 24 -0.311 -14.766 2.939 164 H ASN 25 H ASN 25 1.889 -9.112 -0.539 165 HA ASN 25 HA ASN 25 1.426 -6.515 -1.168 166 HB2 ASN 25 1HB ASN 25 0.359 -8.773 -2.049 167 HB3 ASN 25 2HB ASN 25 -0.973 -8.288 -1.004 168 HD21 ASN 25 1HD2 ASN 25 -0.704 -5.497 -1.339 169 HD22 ASN 25 2HD2 ASN 25 -1.189 -5.110 -2.952 170 H SER 26 H SER 26 -0.434 -8.346 1.259 171 HA SER 26 HA SER 26 -2.217 -6.539 2.149 172 HB2 SER 26 1HB SER 26 -0.476 -8.195 3.991 173 HB3 SER 26 2HB SER 26 -2.073 -7.548 4.365 174 HG SER 26 HG SER 26 -1.352 -9.669 2.685 175 H GLN 27 H GLN 27 1.225 -6.558 2.972 176 HA GLN 27 HA GLN 27 1.166 -4.422 4.799 177 HB2 GLN 27 1HB GLN 27 3.488 -5.099 3.000 178 HB3 GLN 27 2HB GLN 27 3.540 -4.361 4.595 179 HG2 GLN 27 1HG GLN 27 2.365 -6.633 5.275 180 HG3 GLN 27 2HG GLN 27 3.188 -7.199 3.823 181 HE21 GLN 27 1HE2 GLN 27 3.481 -7.217 6.985 182 HE22 GLN 27 2HE2 GLN 27 5.195 -7.105 7.172 183 H LEU 28 H LEU 28 1.868 -4.480 1.315 184 HA LEU 28 HA LEU 28 2.381 -1.752 0.998 185 HB2 LEU 28 1HB LEU 28 2.989 -3.069 -0.805 186 HB3 LEU 28 2HB LEU 28 1.447 -3.923 -0.828 187 HG LEU 28 HG LEU 28 0.371 -1.908 -1.751 188 HD11 LEU 28 1HD1 LEU 28 3.155 -0.793 -2.015 189 HD12 LEU 28 2HD1 LEU 28 2.013 -0.302 -0.764 190 HD13 LEU 28 3HD1 LEU 28 1.635 -0.018 -2.463 191 HD21 LEU 28 3HD2 LEU 28 0.786 -3.115 -3.586 192 HD22 LEU 28 1HD2 LEU 28 2.429 -3.500 -3.073 193 HD23 LEU 28 2HD2 LEU 28 2.095 -1.968 -3.880 194 H ILE 29 H ILE 29 -0.658 -3.543 0.508 195 HA ILE 29 HA ILE 29 -2.328 -1.533 -0.282 196 HB ILE 29 HB ILE 29 -2.963 -3.755 1.661 197 HG12 ILE 29 1HG1 ILE 29 -3.639 -3.625 -1.271 198 HG13 ILE 29 2HG1 ILE 29 -2.099 -4.267 -0.710 199 HG21 ILE 29 1HG2 ILE 29 -5.189 -2.855 0.078 200 HG22 ILE 29 2HG2 ILE 29 -5.047 -3.007 1.829 201 HG23 ILE 29 3HG2 ILE 29 -4.525 -1.526 1.028 202 HD11 ILE 29 3HD1 ILE 29 -3.639 -5.747 0.810 203 HD12 ILE 29 1HD1 ILE 29 -4.835 -5.384 -0.433 204 HD13 ILE 29 2HD1 ILE 29 -3.323 -6.181 -0.870 205 H VAL 30 H VAL 30 -1.859 -2.491 3.126 206 HA VAL 30 HA VAL 30 -3.313 -0.497 4.339 207 HB VAL 30 HB VAL 30 -0.734 -1.733 5.312 208 HG11 VAL 30 1HG1 VAL 30 -0.991 0.168 6.641 209 HG12 VAL 30 2HG1 VAL 30 -2.750 0.024 6.670 210 HG13 VAL 30 3HG1 VAL 30 -1.756 -1.112 7.583 211 HG21 VAL 30 3HG2 VAL 30 -2.747 -2.829 6.774 212 HG22 VAL 30 1HG2 VAL 30 -3.525 -2.629 5.204 213 HG23 VAL 30 2HG2 VAL 30 -2.036 -3.565 5.337 214 H HIS 31 H HIS 31 -0.061 -0.337 3.021 215 HA HIS 31 HA HIS 31 0.507 2.264 4.085 216 HB2 HIS 31 1HB HIS 31 2.354 0.790 3.608 217 HB3 HIS 31 2HB HIS 31 1.849 0.624 1.929 218 HD1 HIS 31 HD1 HIS 31 3.474 3.051 4.290 219 HD2 HIS 31 HD2 HIS 31 2.672 2.658 0.232 220 HE1 HIS 31 HE1 HIS 31 4.792 4.873 3.165 221 H GLN 32 H GLN 32 -1.121 1.041 1.307 222 HA GLN 32 HA GLN 32 -0.888 3.497 -0.206 223 HB2 GLN 32 1HB GLN 32 -2.397 0.927 -0.663 224 HB3 GLN 32 2HB GLN 32 -2.539 2.313 -1.736 225 HG2 GLN 32 1HG GLN 32 0.019 2.181 -1.908 226 HG3 GLN 32 2HG GLN 32 -0.165 0.565 -1.229 227 HE21 GLN 32 1HE2 GLN 32 0.515 1.850 -3.968 228 HE22 GLN 32 2HE2 GLN 32 -0.398 0.890 -5.076 229 H ARG 33 H ARG 33 -3.046 2.081 2.085 230 HA ARG 33 HA ARG 33 -5.464 3.279 1.494 231 HB2 ARG 33 1HB ARG 33 -4.201 2.675 4.168 232 HB3 ARG 33 2HB ARG 33 -5.865 3.215 3.988 233 HG2 ARG 33 1HG ARG 33 -6.035 1.189 2.347 234 HG3 ARG 33 2HG ARG 33 -4.623 0.615 3.236 235 HD2 ARG 33 1HD ARG 33 -7.241 1.436 4.489 236 HD3 ARG 33 2HD ARG 33 -6.763 -0.227 4.151 237 HE ARG 33 HE ARG 33 -4.728 0.655 5.666 238 HH11 ARG 33 1HH1 ARG 33 -8.183 0.803 6.068 239 HH12 ARG 33 2HH1 ARG 33 -8.114 0.762 7.799 240 HH21 ARG 33 1HH2 ARG 33 -4.624 0.600 7.944 241 HH22 ARG 33 2HH2 ARG 33 -6.089 0.647 8.865 242 H THR 34 H THR 34 -2.678 4.627 3.197 243 HA THR 34 HA THR 34 -3.941 7.080 3.896 244 HB THR 34 HB THR 34 -1.931 6.197 5.065 245 HG1 THR 34 HG1 THR 34 -2.038 8.791 3.973 246 HG21 THR 34 3HG2 THR 34 0.149 6.053 4.108 247 HG22 THR 34 1HG2 THR 34 -0.198 7.293 2.904 248 HG23 THR 34 2HG2 THR 34 -0.855 5.668 2.710 249 H HIS 35 H HIS 35 -2.051 5.985 1.144 250 HA HIS 35 HA HIS 35 -1.651 8.544 -0.018 251 HB2 HIS 35 1HB HIS 35 -1.368 5.718 -0.926 252 HB3 HIS 35 2HB HIS 35 -1.430 6.976 -2.157 253 HD1 HIS 35 HD1 HIS 35 0.386 9.029 -1.613 254 HD2 HIS 35 HD2 HIS 35 1.139 5.256 -0.043 255 HE1 HIS 35 HE1 HIS 35 2.840 9.007 -1.064 256 H SER 36 H SER 36 -4.190 6.131 -0.251 257 HA SER 36 HA SER 36 -5.532 7.268 -2.476 258 HB2 SER 36 1HB SER 36 -6.602 5.489 -0.271 259 HB3 SER 36 2HB SER 36 -7.430 5.842 -1.787 260 HG SER 36 HG SER 36 -6.130 3.831 -1.650 261 H GLY 37 H GLY 37 -5.641 7.842 0.976 262 HA2 GLY 37 1HA GLY 37 -8.009 9.131 1.373 263 HA3 GLY 37 2HA GLY 37 -6.509 9.635 2.137 264 H GLU 38 H GLU 38 -5.305 11.339 1.228 265 HA GLU 38 HA GLU 38 -6.940 13.234 -0.230 266 HB2 GLU 38 1HB GLU 38 -5.062 14.799 0.182 267 HB3 GLU 38 2HB GLU 38 -5.681 14.067 1.656 268 HG2 GLU 38 1HG GLU 38 -3.813 12.458 1.604 269 HG3 GLU 38 2HG GLU 38 -3.175 13.286 0.184 270 H SER 39 H SER 39 -6.121 10.897 -1.676 271 HA SER 39 HA SER 39 -3.906 11.193 -3.307 272 HB2 SER 39 1HB SER 39 -5.101 9.762 -4.928 273 HB3 SER 39 2HB SER 39 -5.263 9.157 -3.280 274 HG SER 39 HG SER 39 -7.306 10.516 -3.353 275 H GLY 40 H GLY 40 -7.214 12.381 -3.869 276 HA2 GLY 40 1HA GLY 40 -6.066 14.362 -5.730 277 HA3 GLY 40 2HA GLY 40 -7.507 13.454 -6.164 278 HA PRO 41 HA PRO 41 -8.569 16.590 -2.589 279 HB2 PRO 41 1HB PRO 41 -6.949 18.767 -2.534 280 HB3 PRO 41 2HB PRO 41 -6.646 17.319 -1.566 281 HG2 PRO 41 1HG PRO 41 -5.421 18.149 -4.169 282 HG3 PRO 41 2HG PRO 41 -4.641 17.452 -2.737 283 HD2 PRO 41 1HD PRO 41 -5.257 15.978 -4.924 284 HD3 PRO 41 2HD PRO 41 -5.277 15.304 -3.281 285 H SER 42 H SER 42 -10.257 16.854 -4.122 286 HA SER 42 HA SER 42 -9.967 19.108 -5.982 287 HB2 SER 42 1HB SER 42 -11.979 16.854 -5.858 288 HB3 SER 42 2HB SER 42 -12.112 18.217 -6.969 289 HG SER 42 HG SER 42 -10.148 17.595 -7.893 290 H SER 43 H SER 43 -10.207 20.777 -4.467 291 HA SER 43 HA SER 43 -12.974 21.150 -3.548 292 HB2 SER 43 1HB SER 43 -11.416 20.447 -1.669 293 HB3 SER 43 2HB SER 43 -10.577 21.980 -1.906 294 HG SER 43 HG SER 43 -13.363 21.808 -1.430 295 H GLY 44 H GLY 44 -13.383 22.551 -5.266 296 HA2 GLY 44 1HA GLY 44 -12.065 25.176 -5.005 297 HA3 GLY 44 2HA GLY 44 -12.277 24.444 -6.588 Start of MODEL 9 1 H1 GLY 1 H GLY 1 21.893 9.009 -24.314 2 HA2 GLY 1 1HA GLY 1 21.145 10.683 -21.999 3 HA3 GLY 1 2HA GLY 1 20.424 9.124 -22.368 4 H SER 2 H SER 2 20.981 8.690 -20.095 5 HA SER 2 HA SER 2 23.749 7.709 -19.889 6 HB2 SER 2 1HB SER 2 22.173 9.356 -17.955 7 HB3 SER 2 2HB SER 2 23.309 8.167 -17.320 8 HG SER 2 HG SER 2 24.604 9.845 -17.588 9 H SER 3 H SER 3 24.040 5.731 -18.921 10 HA SER 3 HA SER 3 21.600 4.150 -18.564 11 HB2 SER 3 1HB SER 3 24.480 3.319 -18.982 12 HB3 SER 3 2HB SER 3 23.151 2.189 -18.721 13 HG SER 3 HG SER 3 23.862 2.879 -20.996 14 H GLY 4 H GLY 4 24.724 4.761 -16.973 15 HA2 GLY 4 1HA GLY 4 25.411 4.378 -14.806 16 HA3 GLY 4 2HA GLY 4 23.839 5.057 -14.408 17 H SER 5 H SER 5 22.734 3.837 -13.047 18 HA SER 5 HA SER 5 22.114 1.132 -13.520 19 HB2 SER 5 1HB SER 5 24.294 0.502 -12.861 20 HB3 SER 5 2HB SER 5 24.327 1.678 -11.547 21 HG SER 5 HG SER 5 22.332 -0.256 -11.455 22 H SER 6 H SER 6 20.322 0.600 -12.410 23 HA SER 6 HA SER 6 19.349 2.531 -10.441 24 HB2 SER 6 1HB SER 6 18.063 0.559 -12.274 25 HB3 SER 6 2HB SER 6 17.220 0.970 -10.780 26 HG SER 6 HG SER 6 17.870 3.258 -11.628 27 H GLY 7 H GLY 7 19.234 -1.021 -10.819 28 HA2 GLY 7 1HA GLY 7 20.402 -2.230 -8.921 29 HA3 GLY 7 2HA GLY 7 19.410 -1.221 -7.879 30 H THR 8 H THR 8 19.200 -3.820 -7.440 31 HA THR 8 HA THR 8 16.741 -4.664 -8.828 32 HB THR 8 HB THR 8 18.814 -6.364 -7.430 33 HG1 THR 8 HG1 THR 8 18.274 -5.694 -10.089 34 HG21 THR 8 3HG2 THR 8 17.505 -8.243 -7.797 35 HG22 THR 8 1HG2 THR 8 16.521 -7.445 -9.022 36 HG23 THR 8 2HG2 THR 8 16.304 -7.045 -7.318 37 H ARG 9 H ARG 9 15.231 -3.678 -7.518 38 HA ARG 9 HA ARG 9 15.131 -3.291 -4.851 39 HB2 ARG 9 1HB ARG 9 12.680 -3.524 -4.975 40 HB3 ARG 9 2HB ARG 9 13.327 -2.606 -6.328 41 HG2 ARG 9 1HG ARG 9 12.955 -5.523 -6.700 42 HG3 ARG 9 2HG ARG 9 11.515 -4.504 -6.646 43 HD2 ARG 9 1HD ARG 9 11.939 -4.354 -8.869 44 HD3 ARG 9 2HD ARG 9 12.985 -3.044 -8.322 45 HE ARG 9 HE ARG 9 14.576 -5.259 -8.255 46 HH11 ARG 9 1HH1 ARG 9 12.631 -3.700 -10.685 47 HH12 ARG 9 2HH1 ARG 9 13.643 -4.199 -12.001 48 HH21 ARG 9 1HH2 ARG 9 15.915 -5.922 -9.978 49 HH22 ARG 9 2HH2 ARG 9 15.510 -5.464 -11.597 50 H GLU 10 H GLU 10 14.702 -4.431 -3.001 51 HA GLU 10 HA GLU 10 15.125 -7.296 -3.155 52 HB2 GLU 10 1HB GLU 10 14.806 -5.488 -0.753 53 HB3 GLU 10 2HB GLU 10 15.273 -7.181 -0.701 54 HG2 GLU 10 1HG GLU 10 17.270 -6.592 -2.076 55 HG3 GLU 10 2HG GLU 10 16.829 -4.896 -1.882 56 H LYS 11 H LYS 11 12.596 -5.042 -2.186 57 HA LYS 11 HA LYS 11 10.816 -7.207 -1.417 58 HB2 LYS 11 1HB LYS 11 10.812 -4.250 -1.179 59 HB3 LYS 11 2HB LYS 11 9.240 -5.029 -1.303 60 HG2 LYS 11 1HG LYS 11 9.603 -4.905 0.981 61 HG3 LYS 11 2HG LYS 11 10.080 -6.557 0.585 62 HD2 LYS 11 1HD LYS 11 12.157 -4.425 0.517 63 HD3 LYS 11 2HD LYS 11 11.600 -5.005 2.088 64 HE2 LYS 11 1HE LYS 11 12.550 -6.833 -0.108 65 HE3 LYS 11 2HE LYS 11 13.619 -6.179 1.132 66 HZ1 LYS 11 3HZ LYS 11 12.500 -7.342 2.804 67 HZ2 LYS 11 1HZ LYS 11 12.637 -8.461 1.542 68 HZ3 LYS 11 2HZ LYS 11 11.164 -7.679 1.821 69 HA PRO 12 HA PRO 12 9.067 -7.593 -5.462 70 HB2 PRO 12 1HB PRO 12 6.887 -9.051 -4.761 71 HB3 PRO 12 2HB PRO 12 8.515 -9.735 -4.841 72 HG2 PRO 12 1HG PRO 12 6.975 -8.787 -2.456 73 HG3 PRO 12 2HG PRO 12 7.971 -10.243 -2.639 74 HD2 PRO 12 1HD PRO 12 8.866 -8.013 -1.390 75 HD3 PRO 12 2HD PRO 12 9.939 -9.091 -2.305 76 H TYR 13 H TYR 13 7.028 -6.625 -2.723 77 HA TYR 13 HA TYR 13 5.105 -5.356 -4.488 78 HB2 TYR 13 1HB TYR 13 5.235 -5.453 -1.467 79 HB3 TYR 13 2HB TYR 13 3.893 -4.816 -2.411 80 HD1 TYR 13 HD2 TYR 13 2.496 -6.354 -3.765 81 HD2 TYR 13 HD1 TYR 13 5.513 -7.802 -1.138 82 HE1 TYR 13 HE2 TYR 13 1.483 -8.594 -3.847 83 HE2 TYR 13 HE1 TYR 13 4.510 -10.046 -1.213 84 HH TYR 13 HH TYR 13 1.550 -10.674 -3.075 85 H GLU 14 H GLU 14 5.048 -3.258 -4.995 86 HA GLU 14 HA GLU 14 6.601 -1.358 -3.387 87 HB2 GLU 14 1HB GLU 14 6.990 -2.047 -6.242 88 HB3 GLU 14 2HB GLU 14 7.030 -0.335 -5.844 89 HG2 GLU 14 1HG GLU 14 8.961 -0.506 -4.666 90 HG3 GLU 14 2HG GLU 14 8.638 -2.163 -4.160 91 H CYS 15 H CYS 15 5.763 0.696 -3.265 92 HA CYS 15 HA CYS 15 2.979 0.966 -3.876 93 HB2 CYS 15 1HB CYS 15 4.001 1.923 -1.832 94 HB3 CYS 15 2HB CYS 15 4.924 3.037 -2.835 95 H SER 16 H SER 16 2.104 1.718 -5.681 96 HA SER 16 HA SER 16 3.769 2.777 -7.779 97 HB2 SER 16 1HB SER 16 0.824 2.157 -7.577 98 HB3 SER 16 2HB SER 16 1.525 2.925 -9.001 99 HG SER 16 HG SER 16 2.538 1.109 -9.507 100 H GLU 17 H GLU 17 2.909 4.237 -5.141 101 HA GLU 17 HA GLU 17 1.961 6.716 -6.406 102 HB2 GLU 17 1HB GLU 17 2.041 6.136 -3.448 103 HB3 GLU 17 2HB GLU 17 1.156 7.411 -4.274 104 HG2 GLU 17 1HG GLU 17 0.547 4.569 -4.921 105 HG3 GLU 17 2HG GLU 17 -0.065 5.267 -3.422 106 H CYS 18 H CYS 18 4.381 5.433 -4.162 107 HA CYS 18 HA CYS 18 6.007 7.837 -4.675 108 HB2 CYS 18 1HB CYS 18 6.953 7.574 -2.407 109 HB3 CYS 18 2HB CYS 18 5.219 7.874 -2.372 110 H GLY 19 H GLY 19 6.000 4.369 -4.000 111 HA2 GLY 19 1HA GLY 19 7.471 3.067 -5.533 112 HA3 GLY 19 2HA GLY 19 8.723 4.236 -5.144 113 H LYS 20 H LYS 20 6.825 3.585 -2.455 114 HA LYS 20 HA LYS 20 8.847 2.560 -0.889 115 HB2 LYS 20 1HB LYS 20 6.511 3.430 -0.221 116 HB3 LYS 20 2HB LYS 20 5.975 1.772 -0.460 117 HG2 LYS 20 1HG LYS 20 7.072 1.002 1.379 118 HG3 LYS 20 2HG LYS 20 8.341 2.224 1.272 119 HD2 LYS 20 1HD LYS 20 6.736 3.928 2.034 120 HD3 LYS 20 2HD LYS 20 5.497 2.678 2.180 121 HE2 LYS 20 1HE LYS 20 8.125 2.509 3.628 122 HE3 LYS 20 2HE LYS 20 6.736 3.357 4.305 123 HZ1 LYS 20 3HZ LYS 20 7.279 0.619 4.367 124 HZ2 LYS 20 1HZ LYS 20 5.898 0.835 3.414 125 HZ3 LYS 20 2HZ LYS 20 5.935 1.430 4.997 126 H ALA 21 H ALA 21 8.476 0.302 0.305 127 HA ALA 21 HA ALA 21 7.993 -1.805 -1.670 128 HB1 ALA 21 3HB ALA 21 10.583 -0.981 -0.822 129 HB2 ALA 21 1HB ALA 21 10.271 -2.600 -0.194 130 HB3 ALA 21 2HB ALA 21 10.142 -2.285 -1.925 131 H PHE 22 H PHE 22 7.801 -3.952 -0.701 132 HA PHE 22 HA PHE 22 7.493 -4.125 2.167 133 HB2 PHE 22 1HB PHE 22 5.091 -4.541 0.375 134 HB3 PHE 22 2HB PHE 22 5.142 -4.794 2.116 135 HD1 PHE 22 HD1 PHE 22 5.502 -2.193 -0.502 136 HD2 PHE 22 HD2 PHE 22 4.683 -3.046 3.586 137 HE1 PHE 22 HE1 PHE 22 4.847 0.151 -0.148 138 HE2 PHE 22 HE2 PHE 22 4.025 -0.703 3.947 139 HZ PHE 22 HZ PHE 22 4.106 0.899 2.079 140 H ILE 23 H ILE 23 6.669 -6.382 2.772 141 HA ILE 23 HA ILE 23 8.088 -8.302 1.082 142 HB ILE 23 HB ILE 23 7.008 -8.686 3.876 143 HG12 ILE 23 1HG1 ILE 23 9.669 -8.662 4.209 144 HG13 ILE 23 2HG1 ILE 23 9.559 -7.572 2.832 145 HG21 ILE 23 1HG2 ILE 23 8.375 -10.427 1.940 146 HG22 ILE 23 2HG2 ILE 23 9.004 -10.481 3.586 147 HG23 ILE 23 3HG2 ILE 23 7.304 -10.837 3.280 148 HD11 ILE 23 3HD1 ILE 23 7.664 -6.504 4.379 149 HD12 ILE 23 1HD1 ILE 23 8.700 -7.196 5.626 150 HD13 ILE 23 2HD1 ILE 23 9.362 -6.040 4.470 151 H ARG 24 H ARG 24 4.910 -7.635 2.415 152 HA ARG 24 HA ARG 24 3.814 -9.742 0.679 153 HB2 ARG 24 1HB ARG 24 2.810 -9.069 3.451 154 HB3 ARG 24 2HB ARG 24 2.149 -10.290 2.371 155 HG2 ARG 24 1HG ARG 24 4.633 -11.201 2.483 156 HG3 ARG 24 2HG ARG 24 4.605 -10.345 4.026 157 HD2 ARG 24 1HD ARG 24 3.897 -12.496 4.574 158 HD3 ARG 24 2HD ARG 24 2.395 -11.582 4.442 159 HE ARG 24 HE ARG 24 1.832 -12.813 2.575 160 HH11 ARG 24 1HH1 ARG 24 5.130 -13.459 3.484 161 HH12 ARG 24 2HH1 ARG 24 5.295 -14.815 2.419 162 HH21 ARG 24 1HH2 ARG 24 2.037 -14.597 1.168 163 HH22 ARG 24 2HH2 ARG 24 3.535 -15.461 1.101 164 H ASN 25 H ASN 25 1.901 -9.269 -0.358 165 HA ASN 25 HA ASN 25 1.351 -6.726 -1.162 166 HB2 ASN 25 1HB ASN 25 0.346 -9.074 -1.868 167 HB3 ASN 25 2HB ASN 25 -0.979 -8.565 -0.824 168 HD21 ASN 25 1HD2 ASN 25 -0.940 -5.834 -1.316 169 HD22 ASN 25 2HD2 ASN 25 -1.424 -5.556 -2.951 170 H SER 26 H SER 26 -0.519 -8.461 1.335 171 HA SER 26 HA SER 26 -2.245 -6.536 2.143 172 HB2 SER 26 1HB SER 26 -2.109 -7.526 4.434 173 HB3 SER 26 2HB SER 26 -2.260 -8.734 3.159 174 HG SER 26 HG SER 26 -0.627 -9.484 4.369 175 H GLN 27 H GLN 27 1.185 -6.710 2.896 176 HA GLN 27 HA GLN 27 1.222 -4.629 4.814 177 HB2 GLN 27 1HB GLN 27 3.474 -5.528 3.011 178 HB3 GLN 27 2HB GLN 27 3.632 -4.634 4.517 179 HG2 GLN 27 1HG GLN 27 2.249 -7.260 4.585 180 HG3 GLN 27 2HG GLN 27 4.002 -7.239 4.396 181 HE21 GLN 27 1HE2 GLN 27 4.730 -7.862 6.321 182 HE22 GLN 27 2HE2 GLN 27 4.340 -7.111 7.827 183 H LEU 28 H LEU 28 1.653 -4.690 1.311 184 HA LEU 28 HA LEU 28 2.397 -1.963 1.055 185 HB2 LEU 28 1HB LEU 28 2.983 -3.341 -0.738 186 HB3 LEU 28 2HB LEU 28 1.370 -4.043 -0.842 187 HG LEU 28 HG LEU 28 0.517 -1.946 -1.772 188 HD11 LEU 28 1HD1 LEU 28 1.635 -0.085 -1.276 189 HD12 LEU 28 2HD1 LEU 28 2.748 -0.538 -2.566 190 HD13 LEU 28 3HD1 LEU 28 3.110 -0.973 -0.896 191 HD21 LEU 28 3HD2 LEU 28 2.726 -2.244 -3.605 192 HD22 LEU 28 1HD2 LEU 28 1.032 -2.694 -3.800 193 HD23 LEU 28 2HD2 LEU 28 2.158 -3.811 -3.029 194 H ILE 29 H ILE 29 -0.682 -3.642 0.408 195 HA ILE 29 HA ILE 29 -2.265 -1.552 -0.339 196 HB ILE 29 HB ILE 29 -3.069 -3.785 1.530 197 HG12 ILE 29 1HG1 ILE 29 -3.486 -3.654 -1.452 198 HG13 ILE 29 2HG1 ILE 29 -2.033 -4.356 -0.748 199 HG21 ILE 29 1HG2 ILE 29 -5.012 -2.555 -0.325 200 HG22 ILE 29 2HG2 ILE 29 -5.242 -3.193 1.302 201 HG23 ILE 29 3HG2 ILE 29 -4.536 -1.593 1.075 202 HD11 ILE 29 3HD1 ILE 29 -3.556 -5.884 0.553 203 HD12 ILE 29 1HD1 ILE 29 -4.867 -5.300 -0.470 204 HD13 ILE 29 2HD1 ILE 29 -3.495 -6.144 -1.190 205 H VAL 30 H VAL 30 -1.691 -2.588 3.023 206 HA VAL 30 HA VAL 30 -3.209 -0.749 4.374 207 HB VAL 30 HB VAL 30 -0.471 -1.765 5.147 208 HG11 VAL 30 1HG1 VAL 30 -2.298 0.095 6.456 209 HG12 VAL 30 2HG1 VAL 30 -1.843 -1.276 7.470 210 HG13 VAL 30 3HG1 VAL 30 -0.596 -0.238 6.776 211 HG21 VAL 30 3HG2 VAL 30 -2.921 -3.101 4.873 212 HG22 VAL 30 1HG2 VAL 30 -1.451 -3.697 5.644 213 HG23 VAL 30 2HG2 VAL 30 -2.682 -2.878 6.606 214 H HIS 31 H HIS 31 -0.035 -0.282 2.919 215 HA HIS 31 HA HIS 31 0.352 2.341 3.988 216 HB2 HIS 31 1HB HIS 31 2.302 1.097 3.375 217 HB3 HIS 31 2HB HIS 31 1.694 0.830 1.744 218 HD1 HIS 31 HD1 HIS 31 2.701 3.789 3.918 219 HD2 HIS 31 HD2 HIS 31 2.704 2.575 -0.055 220 HE1 HIS 31 HE1 HIS 31 3.869 5.624 2.656 221 H GLN 32 H GLN 32 -0.957 1.027 0.999 222 HA GLN 32 HA GLN 32 -1.103 3.434 -0.450 223 HB2 GLN 32 1HB GLN 32 -2.786 0.932 -0.628 224 HB3 GLN 32 2HB GLN 32 -2.845 2.246 -1.795 225 HG2 GLN 32 1HG GLN 32 -0.348 1.863 -2.105 226 HG3 GLN 32 2HG GLN 32 -0.593 0.351 -1.232 227 HE21 GLN 32 1HE2 GLN 32 -0.122 1.403 -4.170 228 HE22 GLN 32 2HE2 GLN 32 -1.125 0.339 -5.091 229 H ARG 33 H ARG 33 -2.994 2.190 2.145 230 HA ARG 33 HA ARG 33 -5.429 3.496 1.717 231 HB2 ARG 33 1HB ARG 33 -4.113 2.933 4.379 232 HB3 ARG 33 2HB ARG 33 -5.827 3.207 4.097 233 HG2 ARG 33 1HG ARG 33 -5.757 1.158 2.601 234 HG3 ARG 33 2HG ARG 33 -4.163 0.844 3.292 235 HD2 ARG 33 1HD ARG 33 -5.885 -0.401 4.482 236 HD3 ARG 33 2HD ARG 33 -5.143 0.805 5.532 237 HE ARG 33 HE ARG 33 -7.871 0.797 4.532 238 HH11 ARG 33 1HH1 ARG 33 -5.334 2.531 6.166 239 HH12 ARG 33 2HH1 ARG 33 -6.411 3.666 6.912 240 HH21 ARG 33 1HH2 ARG 33 -9.299 2.284 5.507 241 HH22 ARG 33 2HH2 ARG 33 -8.666 3.524 6.537 242 H THR 34 H THR 34 -2.376 4.659 2.949 243 HA THR 34 HA THR 34 -3.389 7.109 4.014 244 HB THR 34 HB THR 34 -1.115 7.772 4.323 245 HG1 THR 34 HG1 THR 34 -0.419 5.631 2.570 246 HG21 THR 34 3HG2 THR 34 -1.467 4.803 4.714 247 HG22 THR 34 1HG2 THR 34 -1.773 6.085 5.885 248 HG23 THR 34 2HG2 THR 34 -0.121 5.725 5.383 249 H HIS 35 H HIS 35 -1.921 6.137 0.952 250 HA HIS 35 HA HIS 35 -1.706 8.735 -0.146 251 HB2 HIS 35 1HB HIS 35 -1.611 5.955 -1.222 252 HB3 HIS 35 2HB HIS 35 -1.835 7.277 -2.364 253 HD1 HIS 35 HD1 HIS 35 0.092 9.211 -2.186 254 HD2 HIS 35 HD2 HIS 35 0.979 5.489 -0.567 255 HE1 HIS 35 HE1 HIS 35 2.597 9.151 -1.970 256 H SER 36 H SER 36 -4.245 6.285 -0.242 257 HA SER 36 HA SER 36 -5.909 7.484 -2.142 258 HB2 SER 36 1HB SER 36 -6.801 5.865 0.254 259 HB3 SER 36 2HB SER 36 -7.679 6.088 -1.259 260 HG SER 36 HG SER 36 -6.677 4.173 -1.504 261 H GLY 37 H GLY 37 -7.052 9.301 -2.118 262 HA2 GLY 37 1HA GLY 37 -8.807 10.352 -0.456 263 HA3 GLY 37 2HA GLY 37 -7.329 10.752 0.407 264 H GLU 38 H GLU 38 -6.223 12.536 -0.160 265 HA GLU 38 HA GLU 38 -7.423 14.347 -2.021 266 HB2 GLU 38 1HB GLU 38 -6.294 15.043 0.101 267 HB3 GLU 38 2HB GLU 38 -4.755 14.597 -0.623 268 HG2 GLU 38 1HG GLU 38 -5.427 16.234 -2.501 269 HG3 GLU 38 2HG GLU 38 -6.585 16.852 -1.324 270 H SER 39 H SER 39 -4.143 12.947 -1.863 271 HA SER 39 HA SER 39 -2.531 12.813 -3.504 272 HB2 SER 39 1HB SER 39 -3.194 11.264 -5.299 273 HB3 SER 39 2HB SER 39 -3.797 10.719 -3.734 274 HG SER 39 HG SER 39 -5.181 11.642 -5.953 275 H GLY 40 H GLY 40 -3.481 15.358 -3.571 276 HA2 GLY 40 1HA GLY 40 -4.210 15.981 -6.330 277 HA3 GLY 40 2HA GLY 40 -4.151 17.115 -4.989 278 HA PRO 41 HA PRO 41 -0.296 17.330 -7.759 279 HB2 PRO 41 1HB PRO 41 -0.847 19.685 -8.991 280 HB3 PRO 41 2HB PRO 41 -1.336 18.119 -9.650 281 HG2 PRO 41 1HG PRO 41 -2.947 20.105 -8.093 282 HG3 PRO 41 2HG PRO 41 -3.406 19.172 -9.529 283 HD2 PRO 41 1HD PRO 41 -4.166 18.465 -7.028 284 HD3 PRO 41 2HD PRO 41 -3.855 17.271 -8.306 285 H SER 42 H SER 42 -1.752 18.830 -5.216 286 HA SER 42 HA SER 42 -0.769 21.250 -4.696 287 HB2 SER 42 1HB SER 42 -0.627 20.693 -2.355 288 HB3 SER 42 2HB SER 42 -1.954 19.765 -3.053 289 HG SER 42 HG SER 42 0.624 18.877 -2.314 290 H SER 43 H SER 43 1.102 21.943 -5.603 291 HA SER 43 HA SER 43 3.334 22.340 -5.803 292 HB2 SER 43 1HB SER 43 3.077 21.913 -3.198 293 HB3 SER 43 2HB SER 43 4.012 20.466 -3.576 294 HG SER 43 HG SER 43 5.687 21.716 -3.577 295 H GLY 44 H GLY 44 2.367 20.538 -7.538 296 HA2 GLY 44 1HA GLY 44 4.562 18.576 -7.718 297 HA3 GLY 44 2HA GLY 44 2.903 18.098 -8.047 Start of MODEL 10 1 H1 GLY 1 H GLY 1 29.045 13.391 -9.895 2 HA2 GLY 1 1HA GLY 1 30.803 13.716 -7.639 3 HA3 GLY 1 2HA GLY 1 29.077 13.392 -7.581 4 H SER 2 H SER 2 28.386 11.372 -7.150 5 HA SER 2 HA SER 2 30.452 9.360 -6.643 6 HB2 SER 2 1HB SER 2 27.544 9.330 -5.804 7 HB3 SER 2 2HB SER 2 28.819 8.252 -5.237 8 HG SER 2 HG SER 2 29.180 11.008 -4.936 9 H SER 3 H SER 3 30.418 7.328 -7.541 10 HA SER 3 HA SER 3 28.992 7.093 -10.046 11 HB2 SER 3 1HB SER 3 30.407 5.247 -10.514 12 HB3 SER 3 2HB SER 3 31.423 6.406 -9.656 13 HG SER 3 HG SER 3 30.930 3.893 -9.009 14 H GLY 4 H GLY 4 27.896 5.025 -10.617 15 HA2 GLY 4 1HA GLY 4 26.912 2.971 -9.479 16 HA3 GLY 4 2HA GLY 4 26.253 4.130 -8.334 17 H SER 5 H SER 5 25.000 2.196 -10.272 18 HA SER 5 HA SER 5 23.376 4.128 -11.793 19 HB2 SER 5 1HB SER 5 23.914 1.198 -12.326 20 HB3 SER 5 2HB SER 5 22.768 2.178 -13.239 21 HG SER 5 HG SER 5 24.560 3.559 -13.763 22 H SER 6 H SER 6 23.044 0.907 -10.290 23 HA SER 6 HA SER 6 20.815 1.729 -8.702 24 HB2 SER 6 1HB SER 6 19.669 1.530 -10.864 25 HB3 SER 6 2HB SER 6 20.271 -0.118 -11.040 26 HG SER 6 HG SER 6 18.693 -0.770 -9.831 27 H GLY 7 H GLY 7 19.865 -0.143 -7.493 28 HA2 GLY 7 1HA GLY 7 21.990 -2.124 -6.989 29 HA3 GLY 7 2HA GLY 7 20.817 -1.579 -5.799 30 H THR 8 H THR 8 19.495 -3.178 -5.276 31 HA THR 8 HA THR 8 18.226 -4.713 -7.425 32 HB THR 8 HB THR 8 19.377 -6.024 -4.955 33 HG1 THR 8 HG1 THR 8 21.144 -5.827 -6.150 34 HG21 THR 8 3HG2 THR 8 17.384 -6.838 -6.824 35 HG22 THR 8 1HG2 THR 8 18.053 -7.741 -5.465 36 HG23 THR 8 2HG2 THR 8 18.812 -7.847 -7.054 37 H ARG 9 H ARG 9 16.096 -4.975 -7.136 38 HA ARG 9 HA ARG 9 14.688 -3.622 -5.153 39 HB2 ARG 9 1HB ARG 9 13.872 -5.890 -6.967 40 HB3 ARG 9 2HB ARG 9 12.741 -5.073 -5.896 41 HG2 ARG 9 1HG ARG 9 13.363 -2.927 -7.035 42 HG3 ARG 9 2HG ARG 9 14.260 -3.895 -8.206 43 HD2 ARG 9 1HD ARG 9 12.253 -5.045 -8.868 44 HD3 ARG 9 2HD ARG 9 11.330 -4.247 -7.595 45 HE ARG 9 HE ARG 9 12.544 -2.383 -9.386 46 HH11 ARG 9 1HH1 ARG 9 9.830 -4.522 -8.963 47 HH12 ARG 9 2HH1 ARG 9 8.794 -3.628 -10.025 48 HH21 ARG 9 1HH2 ARG 9 11.189 -1.198 -10.786 49 HH22 ARG 9 2HH2 ARG 9 9.568 -1.738 -11.063 50 H GLU 10 H GLU 10 14.859 -4.024 -3.042 51 HA GLU 10 HA GLU 10 15.488 -6.567 -1.952 52 HB2 GLU 10 1HB GLU 10 15.880 -4.229 -0.939 53 HB3 GLU 10 2HB GLU 10 14.208 -4.328 -0.403 54 HG2 GLU 10 1HG GLU 10 14.776 -6.444 0.772 55 HG3 GLU 10 2HG GLU 10 16.464 -6.171 0.343 56 H LYS 11 H LYS 11 12.485 -4.650 -1.917 57 HA LYS 11 HA LYS 11 11.012 -7.067 -1.138 58 HB2 LYS 11 1HB LYS 11 10.570 -4.151 -0.775 59 HB3 LYS 11 2HB LYS 11 9.141 -5.155 -0.978 60 HG2 LYS 11 1HG LYS 11 9.356 -5.182 1.294 61 HG3 LYS 11 2HG LYS 11 10.290 -6.618 0.870 62 HD2 LYS 11 1HD LYS 11 12.315 -5.586 1.294 63 HD3 LYS 11 2HD LYS 11 11.654 -3.965 1.063 64 HE2 LYS 11 1HE LYS 11 11.010 -5.789 3.378 65 HE3 LYS 11 2HE LYS 11 12.177 -4.469 3.425 66 HZ1 LYS 11 3HZ LYS 11 9.441 -4.336 3.887 67 HZ2 LYS 11 1HZ LYS 11 9.720 -3.514 2.435 68 HZ3 LYS 11 2HZ LYS 11 10.544 -3.055 3.839 69 HA PRO 12 HA PRO 12 9.375 -7.505 -5.206 70 HB2 PRO 12 1HB PRO 12 7.182 -8.989 -4.606 71 HB3 PRO 12 2HB PRO 12 8.823 -9.647 -4.586 72 HG2 PRO 12 1HG PRO 12 7.137 -8.692 -2.304 73 HG3 PRO 12 2HG PRO 12 8.164 -10.134 -2.410 74 HD2 PRO 12 1HD PRO 12 8.953 -7.872 -1.146 75 HD3 PRO 12 2HD PRO 12 10.093 -8.945 -1.984 76 H TYR 13 H TYR 13 7.009 -6.726 -2.655 77 HA TYR 13 HA TYR 13 5.247 -5.432 -4.539 78 HB2 TYR 13 1HB TYR 13 5.136 -5.556 -1.518 79 HB3 TYR 13 2HB TYR 13 3.855 -4.953 -2.564 80 HD1 TYR 13 HD2 TYR 13 2.685 -6.544 -4.105 81 HD2 TYR 13 HD1 TYR 13 5.400 -7.877 -1.112 82 HE1 TYR 13 HE2 TYR 13 1.756 -8.814 -4.282 83 HE2 TYR 13 HE1 TYR 13 4.479 -10.151 -1.282 84 HH TYR 13 HH TYR 13 1.698 -10.928 -2.440 85 H GLU 14 H GLU 14 5.150 -3.326 -5.015 86 HA GLU 14 HA GLU 14 6.648 -1.438 -3.327 87 HB2 GLU 14 1HB GLU 14 6.925 -1.991 -6.218 88 HB3 GLU 14 2HB GLU 14 6.894 -0.292 -5.767 89 HG2 GLU 14 1HG GLU 14 8.890 -0.390 -4.698 90 HG3 GLU 14 2HG GLU 14 8.673 -2.070 -4.210 91 H CYS 15 H CYS 15 5.949 0.801 -3.526 92 HA CYS 15 HA CYS 15 3.057 0.953 -3.799 93 HB2 CYS 15 1HB CYS 15 4.276 1.898 -1.812 94 HB3 CYS 15 2HB CYS 15 4.967 3.110 -2.886 95 H SER 16 H SER 16 2.050 1.774 -5.507 96 HA SER 16 HA SER 16 3.602 2.906 -7.672 97 HB2 SER 16 1HB SER 16 1.823 1.268 -8.148 98 HB3 SER 16 2HB SER 16 0.627 2.374 -7.472 99 HG SER 16 HG SER 16 2.304 2.962 -9.685 100 H GLU 17 H GLU 17 3.079 4.355 -5.068 101 HA GLU 17 HA GLU 17 1.881 6.786 -6.224 102 HB2 GLU 17 1HB GLU 17 2.022 6.150 -3.280 103 HB3 GLU 17 2HB GLU 17 1.085 7.412 -4.068 104 HG2 GLU 17 1HG GLU 17 0.548 4.581 -4.793 105 HG3 GLU 17 2HG GLU 17 -0.033 5.186 -3.243 106 H CYS 18 H CYS 18 4.401 5.509 -4.101 107 HA CYS 18 HA CYS 18 5.967 7.944 -4.629 108 HB2 CYS 18 1HB CYS 18 6.887 7.795 -2.337 109 HB3 CYS 18 2HB CYS 18 5.150 8.086 -2.342 110 H GLY 19 H GLY 19 6.003 4.516 -3.759 111 HA2 GLY 19 1HA GLY 19 7.567 3.256 -5.323 112 HA3 GLY 19 2HA GLY 19 8.788 4.367 -4.720 113 H LYS 20 H LYS 20 6.748 3.795 -2.208 114 HA LYS 20 HA LYS 20 8.491 2.579 -0.525 115 HB2 LYS 20 1HB LYS 20 5.959 3.384 -0.254 116 HB3 LYS 20 2HB LYS 20 5.670 1.651 -0.327 117 HG2 LYS 20 1HG LYS 20 5.929 1.856 1.909 118 HG3 LYS 20 2HG LYS 20 7.626 1.647 1.474 119 HD2 LYS 20 1HD LYS 20 7.485 4.289 1.220 120 HD3 LYS 20 2HD LYS 20 6.175 4.074 2.384 121 HE2 LYS 20 1HE LYS 20 8.174 4.470 3.619 122 HE3 LYS 20 2HE LYS 20 7.770 2.764 3.801 123 HZ1 LYS 20 3HZ LYS 20 9.689 2.178 2.886 124 HZ2 LYS 20 1HZ LYS 20 10.170 3.798 2.971 125 HZ3 LYS 20 2HZ LYS 20 9.464 3.199 1.556 126 H ALA 21 H ALA 21 8.464 0.352 0.401 127 HA ALA 21 HA ALA 21 7.965 -1.694 -1.656 128 HB1 ALA 21 3HB ALA 21 10.082 -2.435 -1.669 129 HB2 ALA 21 1HB ALA 21 10.469 -0.838 -1.026 130 HB3 ALA 21 2HB ALA 21 10.277 -2.208 0.069 131 H PHE 22 H PHE 22 7.628 -3.839 -0.849 132 HA PHE 22 HA PHE 22 7.321 -4.241 1.994 133 HB2 PHE 22 1HB PHE 22 4.867 -4.546 0.265 134 HB3 PHE 22 2HB PHE 22 4.973 -4.655 2.019 135 HD1 PHE 22 HD1 PHE 22 5.101 -2.351 -0.853 136 HD2 PHE 22 HD2 PHE 22 4.862 -2.721 3.380 137 HE1 PHE 22 HE1 PHE 22 4.544 0.040 -0.679 138 HE2 PHE 22 HE2 PHE 22 4.304 -0.332 3.561 139 HZ PHE 22 HZ PHE 22 4.143 1.052 1.530 140 H ILE 23 H ILE 23 6.974 -6.443 2.562 141 HA ILE 23 HA ILE 23 7.995 -8.280 0.561 142 HB ILE 23 HB ILE 23 7.304 -8.826 3.450 143 HG12 ILE 23 1HG1 ILE 23 10.080 -8.424 2.366 144 HG13 ILE 23 2HG1 ILE 23 9.115 -7.050 2.896 145 HG21 ILE 23 1HG2 ILE 23 7.454 -10.764 1.820 146 HG22 ILE 23 2HG2 ILE 23 9.167 -10.375 1.673 147 HG23 ILE 23 3HG2 ILE 23 8.501 -10.844 3.237 148 HD11 ILE 23 3HD1 ILE 23 10.695 -8.801 4.448 149 HD12 ILE 23 1HD1 ILE 23 9.730 -7.425 4.981 150 HD13 ILE 23 2HD1 ILE 23 9.011 -9.035 4.918 151 H ARG 24 H ARG 24 5.042 -7.715 2.382 152 HA ARG 24 HA ARG 24 3.730 -9.809 0.775 153 HB2 ARG 24 1HB ARG 24 3.038 -8.952 3.592 154 HB3 ARG 24 2HB ARG 24 2.174 -10.156 2.645 155 HG2 ARG 24 1HG ARG 24 5.088 -10.530 3.110 156 HG3 ARG 24 2HG ARG 24 3.963 -10.852 4.431 157 HD2 ARG 24 1HD ARG 24 2.691 -12.191 2.538 158 HD3 ARG 24 2HD ARG 24 4.305 -12.256 1.832 159 HE ARG 24 HE ARG 24 3.362 -13.733 4.075 160 HH11 ARG 24 1HH1 ARG 24 6.186 -12.210 2.725 161 HH12 ARG 24 2HH1 ARG 24 7.301 -13.249 3.549 162 HH21 ARG 24 1HH2 ARG 24 4.820 -15.107 5.166 163 HH22 ARG 24 2HH2 ARG 24 6.523 -14.897 4.937 164 H ASN 25 H ASN 25 2.003 -9.213 -0.391 165 HA ASN 25 HA ASN 25 1.402 -6.668 -1.093 166 HB2 ASN 25 1HB ASN 25 0.452 -8.984 -1.920 167 HB3 ASN 25 2HB ASN 25 -0.889 -8.577 -0.854 168 HD21 ASN 25 1HD2 ASN 25 -0.607 -5.719 -1.291 169 HD22 ASN 25 2HD2 ASN 25 -1.229 -5.410 -2.873 170 H SER 26 H SER 26 -0.443 -8.512 1.342 171 HA SER 26 HA SER 26 -2.246 -6.683 2.182 172 HB2 SER 26 1HB SER 26 -0.594 -8.528 3.921 173 HB3 SER 26 2HB SER 26 -2.038 -7.679 4.472 174 HG SER 26 HG SER 26 -3.114 -8.762 2.649 175 H GLN 27 H GLN 27 1.194 -6.670 2.883 176 HA GLN 27 HA GLN 27 1.117 -4.595 4.822 177 HB2 GLN 27 1HB GLN 27 3.432 -5.393 3.053 178 HB3 GLN 27 2HB GLN 27 3.524 -4.509 4.570 179 HG2 GLN 27 1HG GLN 27 2.254 -7.190 4.593 180 HG3 GLN 27 2HG GLN 27 4.007 -7.096 4.427 181 HE21 GLN 27 1HE2 GLN 27 4.707 -7.738 6.362 182 HE22 GLN 27 2HE2 GLN 27 4.279 -7.006 7.867 183 H LEU 28 H LEU 28 1.925 -4.623 1.357 184 HA LEU 28 HA LEU 28 2.471 -1.904 1.075 185 HB2 LEU 28 1HB LEU 28 3.086 -3.205 -0.735 186 HB3 LEU 28 2HB LEU 28 1.536 -4.043 -0.786 187 HG LEU 28 HG LEU 28 0.516 -1.924 -1.647 188 HD11 LEU 28 1HD1 LEU 28 2.202 -0.366 -0.830 189 HD12 LEU 28 2HD1 LEU 28 2.009 -0.231 -2.577 190 HD13 LEU 28 3HD1 LEU 28 3.400 -1.084 -1.907 191 HD21 LEU 28 3HD2 LEU 28 2.637 -3.413 -3.153 192 HD22 LEU 28 1HD2 LEU 28 1.698 -2.133 -3.922 193 HD23 LEU 28 2HD2 LEU 28 0.882 -3.554 -3.269 194 H ILE 29 H ILE 29 -0.585 -3.617 0.405 195 HA ILE 29 HA ILE 29 -2.192 -1.554 -0.345 196 HB ILE 29 HB ILE 29 -2.951 -3.807 1.519 197 HG12 ILE 29 1HG1 ILE 29 -3.463 -3.637 -1.444 198 HG13 ILE 29 2HG1 ILE 29 -1.963 -4.303 -0.809 199 HG21 ILE 29 1HG2 ILE 29 -4.741 -2.092 -0.196 200 HG22 ILE 29 2HG2 ILE 29 -5.239 -3.403 0.872 201 HG23 ILE 29 3HG2 ILE 29 -4.555 -1.926 1.550 202 HD11 ILE 29 3HD1 ILE 29 -2.991 -6.159 0.044 203 HD12 ILE 29 1HD1 ILE 29 -4.553 -5.357 0.205 204 HD13 ILE 29 2HD1 ILE 29 -3.976 -5.854 -1.386 205 H VAL 30 H VAL 30 -1.632 -2.569 3.027 206 HA VAL 30 HA VAL 30 -3.168 -0.727 4.354 207 HB VAL 30 HB VAL 30 -0.424 -1.682 5.182 208 HG11 VAL 30 1HG1 VAL 30 -0.731 -0.777 7.231 209 HG12 VAL 30 2HG1 VAL 30 -1.753 0.348 6.334 210 HG13 VAL 30 3HG1 VAL 30 -2.479 -1.012 7.192 211 HG21 VAL 30 3HG2 VAL 30 -1.374 -3.580 6.034 212 HG22 VAL 30 1HG2 VAL 30 -2.951 -2.823 6.257 213 HG23 VAL 30 2HG2 VAL 30 -2.430 -3.316 4.646 214 H HIS 31 H HIS 31 0.004 -0.257 2.903 215 HA HIS 31 HA HIS 31 0.389 2.367 3.973 216 HB2 HIS 31 1HB HIS 31 2.335 1.101 3.360 217 HB3 HIS 31 2HB HIS 31 1.737 0.872 1.720 218 HD1 HIS 31 HD1 HIS 31 2.700 3.804 3.953 219 HD2 HIS 31 HD2 HIS 31 2.819 2.621 -0.028 220 HE1 HIS 31 HE1 HIS 31 3.901 5.650 2.739 221 H GLN 32 H GLN 32 -0.841 1.054 0.939 222 HA GLN 32 HA GLN 32 -1.004 3.451 -0.503 223 HB2 GLN 32 1HB GLN 32 -2.642 0.921 -0.665 224 HB3 GLN 32 2HB GLN 32 -2.800 2.247 -1.810 225 HG2 GLN 32 1HG GLN 32 -0.267 1.958 -2.161 226 HG3 GLN 32 2HG GLN 32 -0.494 0.391 -1.386 227 HE21 GLN 32 1HE2 GLN 32 0.181 1.292 -4.188 228 HE22 GLN 32 2HE2 GLN 32 -0.921 0.419 -5.190 229 H ARG 33 H ARG 33 -3.007 2.135 2.010 230 HA ARG 33 HA ARG 33 -5.397 3.483 1.586 231 HB2 ARG 33 1HB ARG 33 -4.085 2.862 4.239 232 HB3 ARG 33 2HB ARG 33 -5.786 3.234 3.996 233 HG2 ARG 33 1HG ARG 33 -5.740 1.197 2.392 234 HG3 ARG 33 2HG ARG 33 -4.267 0.772 3.265 235 HD2 ARG 33 1HD ARG 33 -6.021 -0.352 4.372 236 HD3 ARG 33 2HD ARG 33 -5.613 1.027 5.391 237 HE ARG 33 HE ARG 33 -7.660 1.841 3.705 238 HH11 ARG 33 1HH1 ARG 33 -7.162 -0.503 6.231 239 HH12 ARG 33 2HH1 ARG 33 -8.813 -0.481 6.757 240 HH21 ARG 33 1HH2 ARG 33 -9.837 1.878 4.388 241 HH22 ARG 33 2HH2 ARG 33 -10.333 0.873 5.707 242 H THR 34 H THR 34 -2.406 4.598 3.076 243 HA THR 34 HA THR 34 -3.395 7.044 4.081 244 HB THR 34 HB THR 34 -1.094 7.737 4.308 245 HG1 THR 34 HG1 THR 34 -0.128 5.448 3.002 246 HG21 THR 34 3HG2 THR 34 -0.136 5.725 5.459 247 HG22 THR 34 1HG2 THR 34 -1.501 4.795 4.841 248 HG23 THR 34 2HG2 THR 34 -1.778 6.137 5.952 249 H HIS 35 H HIS 35 -1.980 6.131 0.978 250 HA HIS 35 HA HIS 35 -1.776 8.747 -0.077 251 HB2 HIS 35 1HB HIS 35 -1.717 5.986 -1.203 252 HB3 HIS 35 2HB HIS 35 -1.962 7.328 -2.318 253 HD1 HIS 35 HD1 HIS 35 -0.025 9.267 -2.113 254 HD2 HIS 35 HD2 HIS 35 0.887 5.486 -0.651 255 HE1 HIS 35 HE1 HIS 35 2.485 9.191 -1.963 256 H SER 36 H SER 36 -4.342 6.333 -0.113 257 HA SER 36 HA SER 36 -6.061 7.328 -1.994 258 HB2 SER 36 1HB SER 36 -6.276 5.319 -0.290 259 HB3 SER 36 2HB SER 36 -7.222 6.487 0.631 260 HG SER 36 HG SER 36 -8.351 5.097 -0.982 261 H GLY 37 H GLY 37 -7.726 8.846 -2.045 262 HA2 GLY 37 1HA GLY 37 -8.783 10.828 -1.573 263 HA3 GLY 37 2HA GLY 37 -8.490 10.476 0.123 264 H GLU 38 H GLU 38 -6.103 10.969 -2.443 265 HA GLU 38 HA GLU 38 -5.408 13.582 -1.363 266 HB2 GLU 38 1HB GLU 38 -4.100 11.960 -0.025 267 HB3 GLU 38 2HB GLU 38 -3.390 11.335 -1.507 268 HG2 GLU 38 1HG GLU 38 -2.303 13.432 -1.936 269 HG3 GLU 38 2HG GLU 38 -3.119 14.179 -0.563 270 H SER 39 H SER 39 -4.779 14.944 -2.920 271 HA SER 39 HA SER 39 -4.902 14.202 -5.633 272 HB2 SER 39 1HB SER 39 -3.639 16.688 -4.451 273 HB3 SER 39 2HB SER 39 -4.192 16.483 -6.113 274 HG SER 39 HG SER 39 -5.963 16.109 -3.954 275 H GLY 40 H GLY 40 -3.473 12.981 -6.669 276 HA2 GLY 40 1HA GLY 40 -0.630 13.637 -6.435 277 HA3 GLY 40 2HA GLY 40 -1.114 11.987 -6.070 278 HA PRO 41 HA PRO 41 -0.553 11.030 -10.320 279 HB2 PRO 41 1HB PRO 41 -2.086 8.795 -10.471 280 HB3 PRO 41 2HB PRO 41 -0.512 8.828 -9.667 281 HG2 PRO 41 1HG PRO 41 -3.253 8.995 -8.475 282 HG3 PRO 41 2HG PRO 41 -1.846 8.071 -7.919 283 HD2 PRO 41 1HD PRO 41 -2.573 10.429 -6.805 284 HD3 PRO 41 2HD PRO 41 -0.880 9.906 -6.914 285 H SER 42 H SER 42 -1.624 11.041 -12.331 286 HA SER 42 HA SER 42 -3.745 12.796 -12.619 287 HB2 SER 42 1HB SER 42 -2.122 12.041 -14.411 288 HB3 SER 42 2HB SER 42 -3.103 10.585 -14.578 289 HG SER 42 HG SER 42 -4.417 13.040 -14.676 290 H SER 43 H SER 43 -5.832 12.634 -12.179 291 HA SER 43 HA SER 43 -7.428 10.405 -12.870 292 HB2 SER 43 1HB SER 43 -7.957 9.467 -10.746 293 HB3 SER 43 2HB SER 43 -6.197 9.542 -10.815 294 HG SER 43 HG SER 43 -6.801 10.360 -8.851 295 H GLY 44 H GLY 44 -9.404 11.173 -13.240 296 HA2 GLY 44 1HA GLY 44 -10.155 13.807 -12.902 297 HA3 GLY 44 2HA GLY 44 -11.289 12.481 -13.116 Start of MODEL 11 1 H1 GLY 1 H GLY 1 20.766 14.048 -11.884 2 HA2 GLY 1 1HA GLY 1 23.244 14.341 -11.951 3 HA3 GLY 1 2HA GLY 1 22.634 14.223 -10.307 4 H SER 2 H SER 2 24.315 13.254 -9.300 5 HA SER 2 HA SER 2 24.896 10.498 -10.097 6 HB2 SER 2 1HB SER 2 27.335 10.903 -9.641 7 HB3 SER 2 2HB SER 2 26.723 11.721 -11.078 8 HG SER 2 HG SER 2 27.928 12.797 -8.986 9 H SER 3 H SER 3 25.162 9.113 -8.421 10 HA SER 3 HA SER 3 25.583 10.165 -5.732 11 HB2 SER 3 1HB SER 3 23.651 9.055 -4.797 12 HB3 SER 3 2HB SER 3 23.109 10.096 -6.113 13 HG SER 3 HG SER 3 23.698 7.367 -6.532 14 H GLY 4 H GLY 4 25.700 8.253 -4.128 15 HA2 GLY 4 1HA GLY 4 26.945 5.928 -5.452 16 HA3 GLY 4 2HA GLY 4 27.748 6.744 -4.119 17 H SER 5 H SER 5 26.328 6.945 -2.095 18 HA SER 5 HA SER 5 25.802 4.413 -1.095 19 HB2 SER 5 1HB SER 5 25.006 7.170 -0.208 20 HB3 SER 5 2HB SER 5 24.406 5.754 0.656 21 HG SER 5 HG SER 5 27.150 5.998 0.103 22 H SER 6 H SER 6 23.528 6.816 -2.378 23 HA SER 6 HA SER 6 21.104 5.768 -1.870 24 HB2 SER 6 1HB SER 6 21.399 7.765 -3.247 25 HB3 SER 6 2HB SER 6 22.032 6.783 -4.569 26 HG SER 6 HG SER 6 19.542 6.067 -3.568 27 H GLY 7 H GLY 7 19.765 4.147 -2.616 28 HA2 GLY 7 1HA GLY 7 20.692 2.334 -4.686 29 HA3 GLY 7 2HA GLY 7 20.637 1.652 -3.067 30 H THR 8 H THR 8 19.008 0.200 -3.364 31 HA THR 8 HA THR 8 16.329 1.280 -3.454 32 HB THR 8 HB THR 8 16.835 0.982 -5.852 33 HG1 THR 8 HG1 THR 8 14.990 -0.965 -4.884 34 HG21 THR 8 3HG2 THR 8 16.784 -1.956 -5.688 35 HG22 THR 8 1HG2 THR 8 18.268 -1.201 -5.108 36 HG23 THR 8 2HG2 THR 8 17.707 -0.896 -6.752 37 H ARG 9 H ARG 9 14.681 -0.410 -3.049 38 HA ARG 9 HA ARG 9 15.743 -2.374 -1.171 39 HB2 ARG 9 1HB ARG 9 13.076 -1.105 -1.624 40 HB3 ARG 9 2HB ARG 9 13.141 -2.668 -0.820 41 HG2 ARG 9 1HG ARG 9 14.673 -1.706 0.857 42 HG3 ARG 9 2HG ARG 9 14.496 -0.134 0.075 43 HD2 ARG 9 1HD ARG 9 12.103 -1.677 1.008 44 HD3 ARG 9 2HD ARG 9 13.028 -0.675 2.126 45 HE ARG 9 HE ARG 9 11.197 0.224 0.134 46 HH11 ARG 9 1HH1 ARG 9 14.118 1.060 1.833 47 HH12 ARG 9 2HH1 ARG 9 13.895 2.768 1.641 48 HH21 ARG 9 1HH2 ARG 9 10.893 2.469 -0.125 49 HH22 ARG 9 2HH2 ARG 9 12.060 3.568 0.528 50 H GLU 10 H GLU 10 15.235 -4.579 -1.249 51 HA GLU 10 HA GLU 10 14.911 -5.616 -3.925 52 HB2 GLU 10 1HB GLU 10 16.494 -6.480 -2.051 53 HB3 GLU 10 2HB GLU 10 15.066 -7.313 -1.454 54 HG2 GLU 10 1HG GLU 10 16.216 -8.866 -2.786 55 HG3 GLU 10 2HG GLU 10 14.841 -8.327 -3.749 56 H LYS 11 H LYS 11 12.976 -5.191 -1.090 57 HA LYS 11 HA LYS 11 11.047 -7.026 -1.061 58 HB2 LYS 11 1HB LYS 11 10.953 -4.069 -0.801 59 HB3 LYS 11 2HB LYS 11 9.411 -4.900 -0.963 60 HG2 LYS 11 1HG LYS 11 9.652 -4.860 1.310 61 HG3 LYS 11 2HG LYS 11 10.370 -6.427 0.929 62 HD2 LYS 11 1HD LYS 11 12.130 -4.024 0.972 63 HD3 LYS 11 2HD LYS 11 11.594 -4.706 2.509 64 HE2 LYS 11 1HE LYS 11 12.655 -6.747 2.105 65 HE3 LYS 11 2HE LYS 11 12.788 -6.441 0.375 66 HZ1 LYS 11 3HZ LYS 11 14.862 -6.196 1.857 67 HZ2 LYS 11 1HZ LYS 11 14.194 -4.704 2.293 68 HZ3 LYS 11 2HZ LYS 11 14.564 -5.024 0.674 69 HA PRO 12 HA PRO 12 9.441 -7.404 -5.166 70 HB2 PRO 12 1HB PRO 12 7.282 -8.931 -4.553 71 HB3 PRO 12 2HB PRO 12 8.930 -9.569 -4.591 72 HG2 PRO 12 1HG PRO 12 7.290 -8.697 -2.244 73 HG3 PRO 12 2HG PRO 12 8.331 -10.123 -2.413 74 HD2 PRO 12 1HD PRO 12 9.124 -7.887 -1.108 75 HD3 PRO 12 2HD PRO 12 10.255 -8.922 -2.003 76 H TYR 13 H TYR 13 7.023 -6.856 -2.594 77 HA TYR 13 HA TYR 13 5.198 -5.545 -4.353 78 HB2 TYR 13 1HB TYR 13 5.299 -5.617 -1.330 79 HB3 TYR 13 2HB TYR 13 3.949 -5.011 -2.283 80 HD1 TYR 13 HD2 TYR 13 2.606 -6.582 -3.658 81 HD2 TYR 13 HD1 TYR 13 5.626 -7.956 -0.995 82 HE1 TYR 13 HE2 TYR 13 1.650 -8.846 -3.752 83 HE2 TYR 13 HE1 TYR 13 4.679 -10.224 -1.082 84 HH TYR 13 HH TYR 13 1.648 -10.908 -2.227 85 H GLU 14 H GLU 14 5.192 -3.501 -5.002 86 HA GLU 14 HA GLU 14 6.620 -1.498 -3.386 87 HB2 GLU 14 1HB GLU 14 6.965 -2.199 -6.246 88 HB3 GLU 14 2HB GLU 14 6.959 -0.485 -5.857 89 HG2 GLU 14 1HG GLU 14 8.924 -0.585 -4.729 90 HG3 GLU 14 2HG GLU 14 8.666 -2.247 -4.201 91 H CYS 15 H CYS 15 5.792 0.612 -3.445 92 HA CYS 15 HA CYS 15 2.958 0.756 -3.838 93 HB2 CYS 15 1HB CYS 15 4.124 1.921 -1.982 94 HB3 CYS 15 2HB CYS 15 4.908 2.967 -3.161 95 H SER 16 H SER 16 1.863 1.483 -5.545 96 HA SER 16 HA SER 16 3.340 2.343 -7.888 97 HB2 SER 16 1HB SER 16 1.275 2.050 -9.094 98 HB3 SER 16 2HB SER 16 1.466 0.674 -8.008 99 HG SER 16 HG SER 16 -0.420 1.208 -7.276 100 H GLU 17 H GLU 17 3.115 4.103 -5.524 101 HA GLU 17 HA GLU 17 1.939 6.427 -6.892 102 HB2 GLU 17 1HB GLU 17 1.860 6.061 -3.900 103 HB3 GLU 17 2HB GLU 17 1.022 7.270 -4.864 104 HG2 GLU 17 1HG GLU 17 -0.063 5.117 -5.952 105 HG3 GLU 17 2HG GLU 17 0.354 4.423 -4.387 106 H CYS 18 H CYS 18 4.210 5.298 -4.416 107 HA CYS 18 HA CYS 18 5.854 7.686 -4.951 108 HB2 CYS 18 1HB CYS 18 6.756 7.421 -2.662 109 HB3 CYS 18 2HB CYS 18 5.019 7.709 -2.666 110 H GLY 19 H GLY 19 5.857 4.213 -4.330 111 HA2 GLY 19 1HA GLY 19 7.358 2.894 -5.773 112 HA3 GLY 19 2HA GLY 19 8.585 4.112 -5.462 113 H LYS 20 H LYS 20 6.716 3.454 -2.729 114 HA LYS 20 HA LYS 20 8.815 2.574 -1.158 115 HB2 LYS 20 1HB LYS 20 6.428 3.385 -0.513 116 HB3 LYS 20 2HB LYS 20 6.001 1.682 -0.610 117 HG2 LYS 20 1HG LYS 20 7.186 1.133 1.252 118 HG3 LYS 20 2HG LYS 20 8.373 2.418 1.012 119 HD2 LYS 20 1HD LYS 20 6.686 4.077 1.687 120 HD3 LYS 20 2HD LYS 20 5.530 2.772 1.966 121 HE2 LYS 20 1HE LYS 20 6.410 3.277 4.085 122 HE3 LYS 20 2HE LYS 20 7.246 1.810 3.579 123 HZ1 LYS 20 3HZ LYS 20 8.384 4.516 3.181 124 HZ2 LYS 20 1HZ LYS 20 9.178 3.026 3.067 125 HZ3 LYS 20 2HZ LYS 20 8.672 3.601 4.575 126 H ALA 21 H ALA 21 8.499 0.348 0.135 127 HA ALA 21 HA ALA 21 8.072 -1.839 -1.767 128 HB1 ALA 21 3HB ALA 21 10.602 -0.926 -1.257 129 HB2 ALA 21 1HB ALA 21 10.436 -2.252 -0.106 130 HB3 ALA 21 2HB ALA 21 10.193 -2.543 -1.828 131 H PHE 22 H PHE 22 7.763 -3.907 -0.773 132 HA PHE 22 HA PHE 22 7.525 -4.031 2.112 133 HB2 PHE 22 1HB PHE 22 5.099 -4.488 0.364 134 HB3 PHE 22 2HB PHE 22 5.174 -4.664 2.115 135 HD1 PHE 22 HD1 PHE 22 5.365 -2.221 -0.649 136 HD2 PHE 22 HD2 PHE 22 4.892 -2.813 3.539 137 HE1 PHE 22 HE1 PHE 22 4.727 0.141 -0.391 138 HE2 PHE 22 HE2 PHE 22 4.252 -0.452 3.804 139 HZ PHE 22 HZ PHE 22 4.169 1.028 1.838 140 H ILE 23 H ILE 23 6.682 -6.269 2.769 141 HA ILE 23 HA ILE 23 8.117 -8.230 1.155 142 HB ILE 23 HB ILE 23 6.879 -8.592 3.885 143 HG12 ILE 23 1HG1 ILE 23 8.684 -6.825 3.741 144 HG13 ILE 23 2HG1 ILE 23 9.023 -8.159 4.839 145 HG21 ILE 23 1HG2 ILE 23 8.945 -10.230 2.422 146 HG22 ILE 23 2HG2 ILE 23 8.308 -10.551 4.034 147 HG23 ILE 23 3HG2 ILE 23 7.249 -10.667 2.628 148 HD11 ILE 23 3HD1 ILE 23 10.037 -8.162 2.023 149 HD12 ILE 23 1HD1 ILE 23 10.901 -7.337 3.320 150 HD13 ILE 23 2HD1 ILE 23 10.619 -9.076 3.414 151 H ARG 24 H ARG 24 4.900 -7.703 2.545 152 HA ARG 24 HA ARG 24 3.858 -9.726 0.673 153 HB2 ARG 24 1HB ARG 24 2.754 -9.100 3.416 154 HB3 ARG 24 2HB ARG 24 2.161 -10.326 2.304 155 HG2 ARG 24 1HG ARG 24 4.972 -10.384 3.341 156 HG3 ARG 24 2HG ARG 24 3.630 -11.077 4.254 157 HD2 ARG 24 1HD ARG 24 4.409 -11.821 1.436 158 HD3 ARG 24 2HD ARG 24 4.784 -12.757 2.882 159 HE ARG 24 HE ARG 24 1.974 -12.216 2.424 160 HH11 ARG 24 1HH1 ARG 24 4.637 -14.423 2.025 161 HH12 ARG 24 2HH1 ARG 24 3.623 -15.810 1.799 162 HH21 ARG 24 1HH2 ARG 24 0.629 -14.035 2.127 163 HH22 ARG 24 2HH2 ARG 24 1.344 -15.588 1.856 164 H ASN 25 H ASN 25 1.999 -9.234 -0.436 165 HA ASN 25 HA ASN 25 1.451 -6.677 -1.194 166 HB2 ASN 25 1HB ASN 25 0.502 -9.011 -2.003 167 HB3 ASN 25 2HB ASN 25 -0.866 -8.554 -0.992 168 HD21 ASN 25 1HD2 ASN 25 -0.681 -5.754 -1.437 169 HD22 ASN 25 2HD2 ASN 25 -1.180 -5.454 -3.064 170 H SER 26 H SER 26 -0.261 -8.485 1.349 171 HA SER 26 HA SER 26 -2.157 -6.681 2.111 172 HB2 SER 26 1HB SER 26 -2.105 -8.787 3.215 173 HB3 SER 26 2HB SER 26 -0.464 -8.521 3.803 174 HG SER 26 HG SER 26 -2.446 -8.136 5.239 175 H GLN 27 H GLN 27 1.268 -6.650 2.984 176 HA GLN 27 HA GLN 27 1.160 -4.512 4.807 177 HB2 GLN 27 1HB GLN 27 3.485 -5.233 3.019 178 HB3 GLN 27 2HB GLN 27 3.554 -4.371 4.551 179 HG2 GLN 27 1HG GLN 27 2.386 -6.612 5.395 180 HG3 GLN 27 2HG GLN 27 3.257 -7.260 4.006 181 HE21 GLN 27 1HE2 GLN 27 5.510 -5.651 4.060 182 HE22 GLN 27 2HE2 GLN 27 6.428 -6.016 5.477 183 H LEU 28 H LEU 28 1.845 -4.571 1.322 184 HA LEU 28 HA LEU 28 2.325 -1.828 1.010 185 HB2 LEU 28 1HB LEU 28 2.970 -3.230 -0.754 186 HB3 LEU 28 2HB LEU 28 1.376 -3.974 -0.858 187 HG LEU 28 HG LEU 28 0.473 -1.912 -1.815 188 HD11 LEU 28 1HD1 LEU 28 2.079 -0.389 -0.664 189 HD12 LEU 28 2HD1 LEU 28 1.854 -0.049 -2.380 190 HD13 LEU 28 3HD1 LEU 28 3.305 -0.887 -1.830 191 HD21 LEU 28 3HD2 LEU 28 2.210 -1.937 -3.863 192 HD22 LEU 28 1HD2 LEU 28 1.011 -3.202 -3.589 193 HD23 LEU 28 2HD2 LEU 28 2.676 -3.436 -3.056 194 H ILE 29 H ILE 29 -0.665 -3.673 0.403 195 HA ILE 29 HA ILE 29 -2.363 -1.697 -0.376 196 HB ILE 29 HB ILE 29 -3.033 -3.904 1.575 197 HG12 ILE 29 1HG1 ILE 29 -3.439 -3.880 -1.415 198 HG13 ILE 29 2HG1 ILE 29 -1.988 -4.534 -0.664 199 HG21 ILE 29 1HG2 ILE 29 -5.027 -2.778 -0.313 200 HG22 ILE 29 2HG2 ILE 29 -5.252 -3.473 1.292 201 HG23 ILE 29 3HG2 ILE 29 -4.624 -1.834 1.121 202 HD11 ILE 29 3HD1 ILE 29 -3.943 -5.809 0.726 203 HD12 ILE 29 1HD1 ILE 29 -4.673 -5.661 -0.873 204 HD13 ILE 29 2HD1 ILE 29 -3.111 -6.460 -0.686 205 H VAL 30 H VAL 30 -1.757 -2.613 3.018 206 HA VAL 30 HA VAL 30 -3.340 -0.752 4.283 207 HB VAL 30 HB VAL 30 -0.618 -1.720 5.169 208 HG11 VAL 30 1HG1 VAL 30 -1.033 -0.902 7.290 209 HG12 VAL 30 2HG1 VAL 30 -1.690 0.379 6.270 210 HG13 VAL 30 3HG1 VAL 30 -2.772 -0.793 7.022 211 HG21 VAL 30 3HG2 VAL 30 -3.236 -2.973 5.028 212 HG22 VAL 30 1HG2 VAL 30 -1.652 -3.692 5.316 213 HG23 VAL 30 2HG2 VAL 30 -2.562 -2.998 6.658 214 H HIS 31 H HIS 31 -0.072 -0.333 3.001 215 HA HIS 31 HA HIS 31 0.325 2.286 4.001 216 HB2 HIS 31 1HB HIS 31 2.247 1.038 3.335 217 HB3 HIS 31 2HB HIS 31 1.594 0.766 1.722 218 HD1 HIS 31 HD1 HIS 31 2.828 3.649 3.865 219 HD2 HIS 31 HD2 HIS 31 2.422 2.574 -0.127 220 HE1 HIS 31 HE1 HIS 31 3.940 5.487 2.558 221 H GLN 32 H GLN 32 -0.960 1.033 0.957 222 HA GLN 32 HA GLN 32 -1.124 3.411 -0.476 223 HB2 GLN 32 1HB GLN 32 -2.919 0.983 -0.522 224 HB3 GLN 32 2HB GLN 32 -3.020 2.291 -1.693 225 HG2 GLN 32 1HG GLN 32 -0.471 1.781 -2.015 226 HG3 GLN 32 2HG GLN 32 -0.920 0.215 -1.343 227 HE21 GLN 32 1HE2 GLN 32 -0.004 0.984 -4.035 228 HE22 GLN 32 2HE2 GLN 32 -1.219 0.407 -5.119 229 H ARG 33 H ARG 33 -3.157 2.161 2.076 230 HA ARG 33 HA ARG 33 -5.461 3.640 1.771 231 HB2 ARG 33 1HB ARG 33 -4.039 2.974 4.355 232 HB3 ARG 33 2HB ARG 33 -5.718 3.479 4.222 233 HG2 ARG 33 1HG ARG 33 -6.025 1.448 2.705 234 HG3 ARG 33 2HG ARG 33 -4.460 0.914 3.321 235 HD2 ARG 33 1HD ARG 33 -6.851 1.596 5.028 236 HD3 ARG 33 2HD ARG 33 -6.375 -0.038 4.566 237 HE ARG 33 HE ARG 33 -4.145 0.902 5.735 238 HH11 ARG 33 1HH1 ARG 33 -7.482 0.888 6.726 239 HH12 ARG 33 2HH1 ARG 33 -7.115 0.813 8.417 240 HH21 ARG 33 1HH2 ARG 33 -3.649 0.803 7.959 241 HH22 ARG 33 2HH2 ARG 33 -4.934 0.766 9.118 242 H THR 34 H THR 34 -2.369 4.644 3.137 243 HA THR 34 HA THR 34 -3.195 7.148 4.127 244 HB THR 34 HB THR 34 -0.861 7.743 4.230 245 HG1 THR 34 HG1 THR 34 0.706 6.529 3.147 246 HG21 THR 34 3HG2 THR 34 0.078 5.701 5.344 247 HG22 THR 34 1HG2 THR 34 -1.355 4.824 4.810 248 HG23 THR 34 2HG2 THR 34 -1.516 6.183 5.922 249 H HIS 35 H HIS 35 -2.009 6.122 0.967 250 HA HIS 35 HA HIS 35 -1.706 8.690 -0.156 251 HB2 HIS 35 1HB HIS 35 -1.924 5.916 -1.210 252 HB3 HIS 35 2HB HIS 35 -2.205 7.235 -2.343 253 HD1 HIS 35 HD1 HIS 35 -0.149 9.114 -2.270 254 HD2 HIS 35 HD2 HIS 35 0.682 5.242 -1.014 255 HE1 HIS 35 HE1 HIS 35 2.353 8.892 -2.389 256 H SER 36 H SER 36 -4.443 6.462 -0.022 257 HA SER 36 HA SER 36 -6.241 7.474 -1.750 258 HB2 SER 36 1HB SER 36 -6.711 5.631 -0.158 259 HB3 SER 36 2HB SER 36 -6.886 6.817 1.135 260 HG SER 36 HG SER 36 -8.785 7.385 0.376 261 H GLY 37 H GLY 37 -5.980 8.717 1.591 262 HA2 GLY 37 1HA GLY 37 -7.483 11.084 0.883 263 HA3 GLY 37 2HA GLY 37 -6.819 10.700 2.464 264 H GLU 38 H GLU 38 -6.131 12.902 2.617 265 HA GLU 38 HA GLU 38 -4.740 14.694 2.274 266 HB2 GLU 38 1HB GLU 38 -2.902 12.307 2.201 267 HB3 GLU 38 2HB GLU 38 -2.293 13.956 2.175 268 HG2 GLU 38 1HG GLU 38 -2.383 12.783 4.421 269 HG3 GLU 38 2HG GLU 38 -3.071 14.404 4.330 270 H SER 39 H SER 39 -6.066 14.089 -0.075 271 HA SER 39 HA SER 39 -3.984 14.536 -2.114 272 HB2 SER 39 1HB SER 39 -5.295 12.386 -2.329 273 HB3 SER 39 2HB SER 39 -6.729 13.371 -2.618 274 HG SER 39 HG SER 39 -5.470 12.606 -4.516 275 H GLY 40 H GLY 40 -7.397 15.223 -1.343 276 HA2 GLY 40 1HA GLY 40 -8.120 17.543 -1.219 277 HA3 GLY 40 2HA GLY 40 -7.004 17.897 -2.530 278 HA PRO 41 HA PRO 41 -11.058 17.634 -4.583 279 HB2 PRO 41 1HB PRO 41 -10.380 19.330 -6.592 280 HB3 PRO 41 2HB PRO 41 -10.933 19.889 -5.009 281 HG2 PRO 41 1HG PRO 41 -8.143 19.666 -6.070 282 HG3 PRO 41 2HG PRO 41 -8.880 20.975 -5.127 283 HD2 PRO 41 1HD PRO 41 -7.274 19.101 -4.012 284 HD3 PRO 41 2HD PRO 41 -8.620 19.852 -3.131 285 H SER 42 H SER 42 -11.575 17.159 -6.926 286 HA SER 42 HA SER 42 -9.508 15.972 -8.533 287 HB2 SER 42 1HB SER 42 -10.417 13.693 -8.520 288 HB3 SER 42 2HB SER 42 -9.904 14.167 -6.901 289 HG SER 42 HG SER 42 -12.469 13.740 -7.910 290 H SER 43 H SER 43 -10.035 16.575 -10.516 291 HA SER 43 HA SER 43 -12.728 17.309 -11.202 292 HB2 SER 43 1HB SER 43 -10.596 18.445 -12.036 293 HB3 SER 43 2HB SER 43 -10.408 17.064 -13.118 294 HG SER 43 HG SER 43 -11.804 17.975 -14.377 295 H GLY 44 H GLY 44 -14.103 16.317 -12.660 296 HA2 GLY 44 1HA GLY 44 -14.514 14.646 -14.370 297 HA3 GLY 44 2HA GLY 44 -13.296 13.639 -13.600 Start of MODEL 12 1 H1 GLY 1 H GLY 1 23.540 4.441 -25.875 2 HA2 GLY 1 1HA GLY 1 21.889 5.793 -24.439 3 HA3 GLY 1 2HA GLY 1 22.108 4.107 -23.995 4 H SER 2 H SER 2 22.350 3.821 -21.892 5 HA SER 2 HA SER 2 24.284 5.262 -20.372 6 HB2 SER 2 1HB SER 2 22.632 7.002 -20.281 7 HB3 SER 2 2HB SER 2 21.356 5.848 -19.893 8 HG SER 2 HG SER 2 23.540 6.633 -18.267 9 H SER 3 H SER 3 24.944 4.063 -18.683 10 HA SER 3 HA SER 3 24.225 1.415 -18.388 11 HB2 SER 3 1HB SER 3 26.305 2.528 -17.492 12 HB3 SER 3 2HB SER 3 25.326 3.133 -16.156 13 HG SER 3 HG SER 3 24.757 0.677 -16.103 14 H GLY 4 H GLY 4 22.953 0.260 -16.929 15 HA2 GLY 4 1HA GLY 4 20.441 1.304 -16.323 16 HA3 GLY 4 2HA GLY 4 21.117 -0.158 -15.618 17 H SER 5 H SER 5 19.417 1.782 -14.332 18 HA SER 5 HA SER 5 21.268 2.822 -12.288 19 HB2 SER 5 1HB SER 5 19.951 4.547 -13.560 20 HB3 SER 5 2HB SER 5 18.483 3.845 -12.880 21 HG SER 5 HG SER 5 19.424 4.281 -10.784 22 H SER 6 H SER 6 21.230 0.769 -11.222 23 HA SER 6 HA SER 6 18.847 -0.459 -10.318 24 HB2 SER 6 1HB SER 6 20.395 -1.678 -8.740 25 HB3 SER 6 2HB SER 6 20.842 -1.785 -10.443 26 HG SER 6 HG SER 6 22.677 -1.289 -9.288 27 H GLY 7 H GLY 7 17.809 -0.398 -8.339 28 HA2 GLY 7 1HA GLY 7 18.485 1.939 -6.667 29 HA3 GLY 7 2HA GLY 7 16.860 1.305 -6.879 30 H THR 8 H THR 8 16.486 1.020 -4.690 31 HA THR 8 HA THR 8 17.971 -1.213 -3.477 32 HB THR 8 HB THR 8 16.957 1.172 -1.924 33 HG1 THR 8 HG1 THR 8 19.367 1.476 -1.730 34 HG21 THR 8 3HG2 THR 8 17.365 -0.067 -0.120 35 HG22 THR 8 1HG2 THR 8 19.035 -0.294 -0.638 36 HG23 THR 8 2HG2 THR 8 17.790 -1.430 -1.156 37 H ARG 9 H ARG 9 15.621 -1.551 -4.901 38 HA ARG 9 HA ARG 9 13.582 -1.921 -2.811 39 HB2 ARG 9 1HB ARG 9 13.325 -1.727 -5.815 40 HB3 ARG 9 2HB ARG 9 11.999 -2.176 -4.751 41 HG2 ARG 9 1HG ARG 9 11.927 -0.048 -3.763 42 HG3 ARG 9 2HG ARG 9 13.504 0.397 -4.417 43 HD2 ARG 9 1HD ARG 9 11.267 -0.289 -6.274 44 HD3 ARG 9 2HD ARG 9 11.316 1.303 -5.518 45 HE ARG 9 HE ARG 9 13.784 0.538 -6.780 46 HH11 ARG 9 1HH1 ARG 9 10.663 2.010 -7.239 47 HH12 ARG 9 2HH1 ARG 9 11.154 2.927 -8.625 48 HH21 ARG 9 1HH2 ARG 9 14.443 1.740 -8.603 49 HH22 ARG 9 2HH2 ARG 9 13.304 2.772 -9.400 50 H GLU 10 H GLU 10 14.746 -3.835 -2.088 51 HA GLU 10 HA GLU 10 15.073 -6.086 -3.806 52 HB2 GLU 10 1HB GLU 10 16.193 -5.466 -1.487 53 HB3 GLU 10 2HB GLU 10 14.854 -6.408 -0.847 54 HG2 GLU 10 1HG GLU 10 15.542 -8.327 -2.159 55 HG3 GLU 10 2HG GLU 10 16.851 -7.388 -2.875 56 H LYS 11 H LYS 11 12.549 -4.966 -1.653 57 HA LYS 11 HA LYS 11 11.049 -7.365 -1.565 58 HB2 LYS 11 1HB LYS 11 10.555 -4.507 -0.903 59 HB3 LYS 11 2HB LYS 11 9.147 -5.535 -1.135 60 HG2 LYS 11 1HG LYS 11 9.464 -5.775 1.108 61 HG3 LYS 11 2HG LYS 11 10.435 -7.124 0.512 62 HD2 LYS 11 1HD LYS 11 11.745 -4.471 0.844 63 HD3 LYS 11 2HD LYS 11 11.386 -5.416 2.290 64 HE2 LYS 11 1HE LYS 11 12.741 -6.732 -0.019 65 HE3 LYS 11 2HE LYS 11 13.678 -5.686 1.047 66 HZ1 LYS 11 3HZ LYS 11 13.689 -8.071 1.680 67 HZ2 LYS 11 1HZ LYS 11 12.032 -7.961 2.004 68 HZ3 LYS 11 2HZ LYS 11 13.132 -7.045 2.904 69 HA PRO 12 HA PRO 12 9.212 -7.448 -5.566 70 HB2 PRO 12 1HB PRO 12 7.010 -8.930 -4.998 71 HB3 PRO 12 2HB PRO 12 8.635 -9.620 -5.091 72 HG2 PRO 12 1HG PRO 12 7.055 -8.811 -2.680 73 HG3 PRO 12 2HG PRO 12 8.044 -10.261 -2.935 74 HD2 PRO 12 1HD PRO 12 8.929 -8.120 -1.532 75 HD3 PRO 12 2HD PRO 12 10.013 -9.147 -2.493 76 H TYR 13 H TYR 13 7.034 -6.738 -2.841 77 HA TYR 13 HA TYR 13 5.154 -5.356 -4.528 78 HB2 TYR 13 1HB TYR 13 5.349 -5.599 -1.521 79 HB3 TYR 13 2HB TYR 13 4.024 -4.812 -2.370 80 HD1 TYR 13 HD2 TYR 13 2.555 -6.183 -3.875 81 HD2 TYR 13 HD1 TYR 13 5.420 -7.952 -1.274 82 HE1 TYR 13 HE2 TYR 13 1.399 -8.344 -4.080 83 HE2 TYR 13 HE1 TYR 13 4.272 -10.118 -1.473 84 HH TYR 13 HH TYR 13 1.347 -10.577 -2.336 85 H GLU 14 H GLU 14 5.022 -3.229 -4.931 86 HA GLU 14 HA GLU 14 6.677 -1.386 -3.356 87 HB2 GLU 14 1HB GLU 14 6.855 -1.957 -6.257 88 HB3 GLU 14 2HB GLU 14 6.916 -0.262 -5.795 89 HG2 GLU 14 1HG GLU 14 8.930 -0.464 -4.769 90 HG3 GLU 14 2HG GLU 14 8.654 -2.143 -4.310 91 H CYS 15 H CYS 15 5.902 0.722 -3.203 92 HA CYS 15 HA CYS 15 3.057 0.984 -3.560 93 HB2 CYS 15 1HB CYS 15 4.322 1.857 -1.566 94 HB3 CYS 15 2HB CYS 15 5.013 3.087 -2.619 95 H SER 16 H SER 16 2.046 1.857 -5.239 96 HA SER 16 HA SER 16 3.574 2.989 -7.410 97 HB2 SER 16 1HB SER 16 1.602 2.821 -8.700 98 HB3 SER 16 2HB SER 16 1.549 1.422 -7.627 99 HG SER 16 HG SER 16 -0.316 2.169 -7.035 100 H GLU 17 H GLU 17 3.075 4.371 -4.708 101 HA GLU 17 HA GLU 17 2.016 6.897 -5.794 102 HB2 GLU 17 1HB GLU 17 2.190 6.152 -2.875 103 HB3 GLU 17 2HB GLU 17 1.326 7.508 -3.587 104 HG2 GLU 17 1HG GLU 17 0.578 4.752 -4.412 105 HG3 GLU 17 2HG GLU 17 0.072 5.334 -2.827 106 H CYS 18 H CYS 18 4.453 5.525 -3.606 107 HA CYS 18 HA CYS 18 6.114 7.908 -4.108 108 HB2 CYS 18 1HB CYS 18 7.132 7.520 -1.880 109 HB3 CYS 18 2HB CYS 18 5.410 7.877 -1.785 110 H GLY 19 H GLY 19 6.019 4.416 -3.705 111 HA2 GLY 19 1HA GLY 19 7.443 3.169 -5.297 112 HA3 GLY 19 2HA GLY 19 8.728 4.293 -4.881 113 H LYS 20 H LYS 20 6.965 3.618 -2.142 114 HA LYS 20 HA LYS 20 8.991 2.437 -0.718 115 HB2 LYS 20 1HB LYS 20 6.713 3.354 0.081 116 HB3 LYS 20 2HB LYS 20 6.116 1.723 -0.198 117 HG2 LYS 20 1HG LYS 20 7.269 0.847 1.559 118 HG3 LYS 20 2HG LYS 20 8.564 2.041 1.449 119 HD2 LYS 20 1HD LYS 20 5.837 2.967 2.208 120 HD3 LYS 20 2HD LYS 20 6.798 2.102 3.411 121 HE2 LYS 20 1HE LYS 20 7.388 4.300 3.809 122 HE3 LYS 20 2HE LYS 20 8.672 3.766 2.725 123 HZ1 LYS 20 3HZ LYS 20 7.430 5.995 2.298 124 HZ2 LYS 20 1HZ LYS 20 6.265 4.999 1.582 125 HZ3 LYS 20 2HZ LYS 20 7.852 4.999 0.998 126 H ALA 21 H ALA 21 8.590 0.142 0.394 127 HA ALA 21 HA ALA 21 8.044 -1.843 -1.702 128 HB1 ALA 21 3HB ALA 21 10.148 -2.538 -1.805 129 HB2 ALA 21 1HB ALA 21 10.608 -1.174 -0.787 130 HB3 ALA 21 2HB ALA 21 10.217 -2.729 -0.053 131 H PHE 22 H PHE 22 7.721 -4.035 -0.850 132 HA PHE 22 HA PHE 22 7.245 -4.365 1.968 133 HB2 PHE 22 1HB PHE 22 4.875 -4.523 0.097 134 HB3 PHE 22 2HB PHE 22 4.865 -4.791 1.836 135 HD1 PHE 22 HD1 PHE 22 5.319 -2.236 -0.788 136 HD2 PHE 22 HD2 PHE 22 4.670 -2.996 3.349 137 HE1 PHE 22 HE1 PHE 22 4.835 0.150 -0.430 138 HE2 PHE 22 HE2 PHE 22 4.184 -0.612 3.714 139 HZ PHE 22 HZ PHE 22 4.265 0.964 1.824 140 H ILE 23 H ILE 23 6.873 -6.538 2.564 141 HA ILE 23 HA ILE 23 7.898 -8.439 0.637 142 HB ILE 23 HB ILE 23 7.076 -8.874 3.511 143 HG12 ILE 23 1HG1 ILE 23 9.726 -9.035 3.610 144 HG13 ILE 23 2HG1 ILE 23 9.608 -7.972 2.212 145 HG21 ILE 23 1HG2 ILE 23 7.036 -10.953 2.335 146 HG22 ILE 23 2HG2 ILE 23 8.581 -10.606 1.560 147 HG23 ILE 23 3HG2 ILE 23 8.513 -10.907 3.297 148 HD11 ILE 23 3HD1 ILE 23 8.850 -6.224 3.434 149 HD12 ILE 23 1HD1 ILE 23 8.019 -7.252 4.601 150 HD13 ILE 23 2HD1 ILE 23 9.770 -7.055 4.689 151 H ARG 24 H ARG 24 4.862 -7.655 2.174 152 HA ARG 24 HA ARG 24 3.562 -9.723 0.535 153 HB2 ARG 24 1HB ARG 24 2.757 -8.962 3.348 154 HB3 ARG 24 2HB ARG 24 1.970 -10.159 2.328 155 HG2 ARG 24 1HG ARG 24 4.316 -11.282 2.299 156 HG3 ARG 24 2HG ARG 24 4.588 -10.309 3.746 157 HD2 ARG 24 1HD ARG 24 2.384 -11.272 4.598 158 HD3 ARG 24 2HD ARG 24 2.522 -12.440 3.284 159 HE ARG 24 HE ARG 24 4.130 -13.533 4.483 160 HH11 ARG 24 1HH1 ARG 24 3.744 -10.325 5.777 161 HH12 ARG 24 2HH1 ARG 24 4.788 -10.604 7.132 162 HH21 ARG 24 1HH2 ARG 24 5.507 -13.914 6.261 163 HH22 ARG 24 2HH2 ARG 24 5.791 -12.646 7.405 164 H ASN 25 H ASN 25 1.741 -9.110 -0.526 165 HA ASN 25 HA ASN 25 1.257 -6.520 -1.219 166 HB2 ASN 25 1HB ASN 25 0.216 -8.793 -2.062 167 HB3 ASN 25 2HB ASN 25 -1.102 -8.345 -0.982 168 HD21 ASN 25 1HD2 ASN 25 -0.723 -5.498 -1.390 169 HD22 ASN 25 2HD2 ASN 25 -1.339 -5.148 -2.966 170 H SER 26 H SER 26 -0.587 -8.330 1.240 171 HA SER 26 HA SER 26 -2.316 -6.418 2.108 172 HB2 SER 26 1HB SER 26 -0.909 -8.660 3.476 173 HB3 SER 26 2HB SER 26 -1.767 -7.497 4.487 174 HG SER 26 HG SER 26 -2.753 -9.455 2.874 175 H GLN 27 H GLN 27 1.106 -6.684 2.899 176 HA GLN 27 HA GLN 27 1.168 -4.670 4.877 177 HB2 GLN 27 1HB GLN 27 3.414 -5.515 3.041 178 HB3 GLN 27 2HB GLN 27 3.576 -4.695 4.588 179 HG2 GLN 27 1HG GLN 27 2.163 -7.304 4.531 180 HG3 GLN 27 2HG GLN 27 3.916 -7.297 4.341 181 HE21 GLN 27 1HE2 GLN 27 4.637 -8.020 6.235 182 HE22 GLN 27 2HE2 GLN 27 4.256 -7.336 7.775 183 H LEU 28 H LEU 28 1.867 -4.586 1.394 184 HA LEU 28 HA LEU 28 2.547 -1.864 1.256 185 HB2 LEU 28 1HB LEU 28 3.165 -3.132 -0.589 186 HB3 LEU 28 2HB LEU 28 1.574 -3.877 -0.730 187 HG LEU 28 HG LEU 28 0.672 -1.753 -1.580 188 HD11 LEU 28 1HD1 LEU 28 2.397 -0.345 -0.391 189 HD12 LEU 28 2HD1 LEU 28 2.031 0.118 -2.052 190 HD13 LEU 28 3HD1 LEU 28 3.511 -0.770 -1.691 191 HD21 LEU 28 3HD2 LEU 28 2.348 -1.743 -3.666 192 HD22 LEU 28 1HD2 LEU 28 1.154 -3.012 -3.397 193 HD23 LEU 28 2HD2 LEU 28 2.832 -3.265 -2.916 194 H ILE 29 H ILE 29 -0.527 -3.462 0.402 195 HA ILE 29 HA ILE 29 -2.080 -1.354 -0.281 196 HB ILE 29 HB ILE 29 -2.904 -3.642 1.509 197 HG12 ILE 29 1HG1 ILE 29 -3.375 -3.333 -1.453 198 HG13 ILE 29 2HG1 ILE 29 -1.932 -4.112 -0.813 199 HG21 ILE 29 1HG2 ILE 29 -4.594 -2.041 1.769 200 HG22 ILE 29 2HG2 ILE 29 -4.509 -1.549 0.079 201 HG23 ILE 29 3HG2 ILE 29 -5.194 -3.116 0.507 202 HD11 ILE 29 3HD1 ILE 29 -4.357 -5.311 -1.378 203 HD12 ILE 29 1HD1 ILE 29 -3.021 -6.008 -0.463 204 HD13 ILE 29 2HD1 ILE 29 -4.332 -5.182 0.380 205 H VAL 30 H VAL 30 -1.523 -2.435 3.066 206 HA VAL 30 HA VAL 30 -3.055 -0.584 4.414 207 HB VAL 30 HB VAL 30 -0.356 -1.640 5.270 208 HG11 VAL 30 1HG1 VAL 30 -1.847 0.355 6.449 209 HG12 VAL 30 2HG1 VAL 30 -2.320 -1.091 7.344 210 HG13 VAL 30 3HG1 VAL 30 -0.620 -0.631 7.243 211 HG21 VAL 30 3HG2 VAL 30 -2.430 -3.187 4.652 212 HG22 VAL 30 1HG2 VAL 30 -1.356 -3.548 6.003 213 HG23 VAL 30 2HG2 VAL 30 -2.905 -2.758 6.295 214 H HIS 31 H HIS 31 0.175 -0.198 3.058 215 HA HIS 31 HA HIS 31 0.546 2.432 4.159 216 HB2 HIS 31 1HB HIS 31 2.509 1.102 3.757 217 HB3 HIS 31 2HB HIS 31 2.068 0.867 2.069 218 HD1 HIS 31 HD1 HIS 31 3.274 3.564 4.424 219 HD2 HIS 31 HD2 HIS 31 2.965 2.808 0.350 220 HE1 HIS 31 HE1 HIS 31 4.534 5.426 3.297 221 H GLN 32 H GLN 32 -0.980 1.112 1.390 222 HA GLN 32 HA GLN 32 -0.836 3.567 -0.150 223 HB2 GLN 32 1HB GLN 32 -2.252 0.946 -0.652 224 HB3 GLN 32 2HB GLN 32 -2.284 2.311 -1.761 225 HG2 GLN 32 1HG GLN 32 0.224 2.172 -1.832 226 HG3 GLN 32 2HG GLN 32 0.085 0.651 -0.951 227 HE21 GLN 32 1HE2 GLN 32 0.570 1.842 -3.896 228 HE22 GLN 32 2HE2 GLN 32 -0.139 0.603 -4.868 229 H ARG 33 H ARG 33 -2.917 2.077 2.141 230 HA ARG 33 HA ARG 33 -5.409 3.089 1.471 231 HB2 ARG 33 1HB ARG 33 -4.188 2.660 4.202 232 HB3 ARG 33 2HB ARG 33 -5.892 2.994 3.925 233 HG2 ARG 33 1HG ARG 33 -5.757 0.921 2.352 234 HG3 ARG 33 2HG ARG 33 -4.316 0.543 3.299 235 HD2 ARG 33 1HD ARG 33 -5.991 -0.570 4.451 236 HD3 ARG 33 2HD ARG 33 -5.845 0.943 5.344 237 HE ARG 33 HE ARG 33 -8.052 0.142 3.611 238 HH11 ARG 33 1HH1 ARG 33 -6.576 2.555 5.640 239 HH12 ARG 33 2HH1 ARG 33 -8.032 3.476 5.827 240 HH21 ARG 33 1HH2 ARG 33 -9.975 1.346 3.849 241 HH22 ARG 33 2HH2 ARG 33 -9.964 2.787 4.808 242 H THR 34 H THR 34 -2.706 4.661 3.083 243 HA THR 34 HA THR 34 -4.168 7.040 3.733 244 HB THR 34 HB THR 34 -2.192 6.336 5.038 245 HG1 THR 34 HG1 THR 34 -2.890 8.665 4.611 246 HG21 THR 34 3HG2 THR 34 -0.017 6.338 4.202 247 HG22 THR 34 1HG2 THR 34 -0.451 7.312 2.799 248 HG23 THR 34 2HG2 THR 34 -0.945 5.621 2.885 249 H HIS 35 H HIS 35 -2.082 5.994 1.105 250 HA HIS 35 HA HIS 35 -1.718 8.517 -0.108 251 HB2 HIS 35 1HB HIS 35 -1.394 5.680 -0.955 252 HB3 HIS 35 2HB HIS 35 -1.457 6.907 -2.217 253 HD1 HIS 35 HD1 HIS 35 0.337 8.978 -1.743 254 HD2 HIS 35 HD2 HIS 35 1.097 5.289 0.011 255 HE1 HIS 35 HE1 HIS 35 2.781 9.005 -1.153 256 H SER 36 H SER 36 -4.208 6.048 -0.425 257 HA SER 36 HA SER 36 -5.559 7.523 -2.531 258 HB2 SER 36 1HB SER 36 -6.443 5.015 -1.085 259 HB3 SER 36 2HB SER 36 -7.127 5.663 -2.575 260 HG SER 36 HG SER 36 -4.733 5.448 -3.253 261 H GLY 37 H GLY 37 -7.984 7.839 -2.277 262 HA2 GLY 37 1HA GLY 37 -9.546 8.006 -0.148 263 HA3 GLY 37 2HA GLY 37 -8.412 9.298 0.216 264 H GLU 38 H GLU 38 -8.010 10.606 -2.049 265 HA GLU 38 HA GLU 38 -10.711 11.432 -2.889 266 HB2 GLU 38 1HB GLU 38 -9.377 13.070 -1.499 267 HB3 GLU 38 2HB GLU 38 -8.248 13.175 -2.843 268 HG2 GLU 38 1HG GLU 38 -9.661 15.015 -3.091 269 HG3 GLU 38 2HG GLU 38 -10.237 13.838 -4.270 270 H SER 39 H SER 39 -10.850 10.153 -4.717 271 HA SER 39 HA SER 39 -8.905 10.760 -6.848 272 HB2 SER 39 1HB SER 39 -10.534 8.229 -6.512 273 HB3 SER 39 2HB SER 39 -9.357 8.548 -7.785 274 HG SER 39 HG SER 39 -7.760 8.700 -6.130 275 H GLY 40 H GLY 40 -10.148 12.572 -7.517 276 HA2 GLY 40 1HA GLY 40 -11.757 12.308 -9.673 277 HA3 GLY 40 2HA GLY 40 -12.894 12.196 -8.338 278 HA PRO 41 HA PRO 41 -10.913 16.643 -8.370 279 HB2 PRO 41 1HB PRO 41 -9.952 17.412 -10.789 280 HB3 PRO 41 2HB PRO 41 -8.946 16.641 -9.557 281 HG2 PRO 41 1HG PRO 41 -10.249 15.433 -11.967 282 HG3 PRO 41 2HG PRO 41 -8.616 15.171 -11.328 283 HD2 PRO 41 1HD PRO 41 -10.644 13.430 -10.900 284 HD3 PRO 41 2HD PRO 41 -9.346 13.693 -9.717 285 H SER 42 H SER 42 -12.168 15.598 -11.542 286 HA SER 42 HA SER 42 -14.616 17.038 -11.159 287 HB2 SER 42 1HB SER 42 -14.371 18.597 -13.021 288 HB3 SER 42 2HB SER 42 -13.104 18.883 -11.829 289 HG SER 42 HG SER 42 -12.546 17.101 -13.898 290 H SER 43 H SER 43 -16.215 16.147 -12.335 291 HA SER 43 HA SER 43 -17.262 14.559 -13.598 292 HB2 SER 43 1HB SER 43 -15.248 15.751 -15.490 293 HB3 SER 43 2HB SER 43 -16.360 14.490 -16.023 294 HG SER 43 HG SER 43 -17.210 16.875 -14.751 295 H GLY 44 H GLY 44 -15.403 13.443 -11.863 296 HA2 GLY 44 1HA GLY 44 -14.934 11.093 -11.707 297 HA3 GLY 44 2HA GLY 44 -14.575 11.091 -13.428 Start of MODEL 13 1 H1 GLY 1 H GLY 1 28.168 6.618 -11.832 2 HA2 GLY 1 1HA GLY 1 26.362 6.676 -10.414 3 HA3 GLY 1 2HA GLY 1 25.345 6.590 -11.845 4 H SER 2 H SER 2 26.714 4.860 -9.204 5 HA SER 2 HA SER 2 26.204 2.224 -10.107 6 HB2 SER 2 1HB SER 2 26.392 1.621 -7.687 7 HB3 SER 2 2HB SER 2 27.741 2.593 -8.275 8 HG SER 2 HG SER 2 26.665 3.196 -6.190 9 H SER 3 H SER 3 24.573 0.754 -9.274 10 HA SER 3 HA SER 3 22.150 1.913 -8.180 11 HB2 SER 3 1HB SER 3 20.753 0.937 -10.042 12 HB3 SER 3 2HB SER 3 21.728 2.331 -10.504 13 HG SER 3 HG SER 3 22.157 -0.397 -11.091 14 H GLY 4 H GLY 4 21.006 0.476 -6.989 15 HA2 GLY 4 1HA GLY 4 20.187 -1.787 -6.639 16 HA3 GLY 4 2HA GLY 4 21.730 -2.375 -7.241 17 H SER 5 H SER 5 23.636 -1.257 -5.885 18 HA SER 5 HA SER 5 23.134 -2.109 -3.141 19 HB2 SER 5 1HB SER 5 25.638 -1.600 -4.739 20 HB3 SER 5 2HB SER 5 25.688 -1.808 -2.988 21 HG SER 5 HG SER 5 24.291 -3.796 -3.695 22 H SER 6 H SER 6 21.903 0.290 -3.778 23 HA SER 6 HA SER 6 23.520 2.229 -2.256 24 HB2 SER 6 1HB SER 6 22.204 4.002 -3.484 25 HB3 SER 6 2HB SER 6 23.314 3.073 -4.490 26 HG SER 6 HG SER 6 20.597 3.259 -4.610 27 H GLY 7 H GLY 7 20.151 1.437 -3.132 28 HA2 GLY 7 1HA GLY 7 19.306 2.485 -0.515 29 HA3 GLY 7 2HA GLY 7 18.259 2.264 -1.909 30 H THR 8 H THR 8 17.010 0.515 -1.946 31 HA THR 8 HA THR 8 17.806 -2.026 -0.958 32 HB THR 8 HB THR 8 17.401 -0.959 1.218 33 HG1 THR 8 HG1 THR 8 16.364 -2.702 1.952 34 HG21 THR 8 3HG2 THR 8 14.500 -0.813 0.946 35 HG22 THR 8 1HG2 THR 8 15.348 0.360 -0.060 36 HG23 THR 8 2HG2 THR 8 15.625 0.328 1.682 37 H ARG 9 H ARG 9 16.856 -3.347 -2.351 38 HA ARG 9 HA ARG 9 14.035 -2.897 -3.034 39 HB2 ARG 9 1HB ARG 9 14.568 -3.626 -5.377 40 HB3 ARG 9 2HB ARG 9 15.220 -2.055 -4.930 41 HG2 ARG 9 1HG ARG 9 17.045 -2.935 -5.949 42 HG3 ARG 9 2HG ARG 9 17.335 -3.514 -4.307 43 HD2 ARG 9 1HD ARG 9 16.810 -5.678 -4.831 44 HD3 ARG 9 2HD ARG 9 15.703 -5.210 -6.121 45 HE ARG 9 HE ARG 9 17.435 -5.431 -7.578 46 HH11 ARG 9 1HH1 ARG 9 18.742 -4.843 -4.406 47 HH12 ARG 9 2HH1 ARG 9 20.391 -5.014 -4.910 48 HH21 ARG 9 1HH2 ARG 9 19.602 -5.658 -8.255 49 HH22 ARG 9 2HH2 ARG 9 20.879 -5.477 -7.100 50 H GLU 10 H GLU 10 15.082 -4.679 -1.105 51 HA GLU 10 HA GLU 10 15.137 -7.317 -2.300 52 HB2 GLU 10 1HB GLU 10 15.083 -6.583 0.629 53 HB3 GLU 10 2HB GLU 10 15.534 -8.134 -0.063 54 HG2 GLU 10 1HG GLU 10 17.064 -5.737 -0.905 55 HG3 GLU 10 2HG GLU 10 17.334 -6.372 0.717 56 H LYS 11 H LYS 11 12.711 -5.368 -2.095 57 HA LYS 11 HA LYS 11 10.815 -7.395 -1.100 58 HB2 LYS 11 1HB LYS 11 10.950 -4.467 -0.677 59 HB3 LYS 11 2HB LYS 11 9.350 -5.129 -0.983 60 HG2 LYS 11 1HG LYS 11 9.586 -5.117 1.347 61 HG3 LYS 11 2HG LYS 11 9.843 -6.795 0.864 62 HD2 LYS 11 1HD LYS 11 11.591 -6.473 2.330 63 HD3 LYS 11 2HD LYS 11 12.358 -6.081 0.789 64 HE2 LYS 11 1HE LYS 11 13.023 -4.276 2.017 65 HE3 LYS 11 2HE LYS 11 11.499 -3.655 1.384 66 HZ1 LYS 11 3HZ LYS 11 11.037 -5.070 3.783 67 HZ2 LYS 11 1HZ LYS 11 10.733 -3.442 3.435 68 HZ3 LYS 11 2HZ LYS 11 12.241 -3.910 4.040 69 HA PRO 12 HA PRO 12 9.353 -7.471 -5.278 70 HB2 PRO 12 1HB PRO 12 7.096 -8.908 -4.819 71 HB3 PRO 12 2HB PRO 12 8.708 -9.633 -4.840 72 HG2 PRO 12 1HG PRO 12 7.036 -8.799 -2.501 73 HG3 PRO 12 2HG PRO 12 8.006 -10.268 -2.716 74 HD2 PRO 12 1HD PRO 12 8.870 -8.152 -1.265 75 HD3 PRO 12 2HD PRO 12 9.975 -9.198 -2.179 76 H TYR 13 H TYR 13 6.908 -6.900 -2.739 77 HA TYR 13 HA TYR 13 5.150 -5.470 -4.448 78 HB2 TYR 13 1HB TYR 13 5.335 -5.562 -1.431 79 HB3 TYR 13 2HB TYR 13 4.018 -4.809 -2.324 80 HD1 TYR 13 HD2 TYR 13 2.539 -6.242 -3.757 81 HD2 TYR 13 HD1 TYR 13 5.391 -7.902 -1.070 82 HE1 TYR 13 HE2 TYR 13 1.367 -8.402 -3.856 83 HE2 TYR 13 HE1 TYR 13 4.227 -10.067 -1.162 84 HH TYR 13 HH TYR 13 2.147 -11.017 -1.720 85 H GLU 14 H GLU 14 4.945 -3.331 -4.859 86 HA GLU 14 HA GLU 14 6.647 -1.442 -3.406 87 HB2 GLU 14 1HB GLU 14 6.826 -2.148 -6.274 88 HB3 GLU 14 2HB GLU 14 6.874 -0.430 -5.903 89 HG2 GLU 14 1HG GLU 14 8.892 -0.560 -4.879 90 HG3 GLU 14 2HG GLU 14 8.625 -2.207 -4.311 91 H CYS 15 H CYS 15 5.777 0.562 -3.134 92 HA CYS 15 HA CYS 15 2.974 0.853 -3.544 93 HB2 CYS 15 1HB CYS 15 4.264 1.825 -1.621 94 HB3 CYS 15 2HB CYS 15 4.948 2.997 -2.743 95 H SER 16 H SER 16 1.887 1.775 -5.165 96 HA SER 16 HA SER 16 3.357 2.722 -7.468 97 HB2 SER 16 1HB SER 16 1.170 1.252 -7.380 98 HB3 SER 16 2HB SER 16 0.369 2.821 -7.301 99 HG SER 16 HG SER 16 1.402 3.378 -9.245 100 H GLU 17 H GLU 17 2.617 4.177 -4.702 101 HA GLU 17 HA GLU 17 1.733 6.706 -5.895 102 HB2 GLU 17 1HB GLU 17 1.980 5.969 -2.974 103 HB3 GLU 17 2HB GLU 17 1.255 7.433 -3.623 104 HG2 GLU 17 1HG GLU 17 0.168 4.801 -4.478 105 HG3 GLU 17 2HG GLU 17 -0.217 5.401 -2.866 106 H CYS 18 H CYS 18 4.193 5.454 -3.647 107 HA CYS 18 HA CYS 18 5.865 7.786 -4.314 108 HB2 CYS 18 1HB CYS 18 7.025 7.340 -2.151 109 HB3 CYS 18 2HB CYS 18 5.327 7.766 -1.962 110 H GLY 19 H GLY 19 5.861 4.290 -3.789 111 HA2 GLY 19 1HA GLY 19 7.147 3.011 -5.482 112 HA3 GLY 19 2HA GLY 19 8.442 4.171 -5.225 113 H LYS 20 H LYS 20 6.923 3.531 -2.323 114 HA LYS 20 HA LYS 20 9.107 2.443 -1.052 115 HB2 LYS 20 1HB LYS 20 6.819 3.331 -0.130 116 HB3 LYS 20 2HB LYS 20 6.352 1.636 -0.192 117 HG2 LYS 20 1HG LYS 20 7.721 1.050 1.518 118 HG3 LYS 20 2HG LYS 20 8.921 2.286 1.130 119 HD2 LYS 20 1HD LYS 20 6.250 3.180 2.084 120 HD3 LYS 20 2HD LYS 20 7.357 2.471 3.263 121 HE2 LYS 20 1HE LYS 20 9.086 4.113 2.235 122 HE3 LYS 20 2HE LYS 20 7.663 4.960 1.629 123 HZ1 LYS 20 3HZ LYS 20 8.661 5.582 3.923 124 HZ2 LYS 20 1HZ LYS 20 7.807 4.229 4.473 125 HZ3 LYS 20 2HZ LYS 20 6.981 5.508 3.736 126 H ALA 21 H ALA 21 8.744 0.171 0.201 127 HA ALA 21 HA ALA 21 8.078 -1.886 -1.783 128 HB1 ALA 21 3HB ALA 21 10.597 -1.273 -1.649 129 HB2 ALA 21 1HB ALA 21 10.560 -2.193 -0.145 130 HB3 ALA 21 2HB ALA 21 10.117 -2.969 -1.666 131 H PHE 22 H PHE 22 7.724 -4.004 -0.868 132 HA PHE 22 HA PHE 22 7.512 -4.230 2.012 133 HB2 PHE 22 1HB PHE 22 5.044 -4.524 0.289 134 HB3 PHE 22 2HB PHE 22 5.137 -4.750 2.032 135 HD1 PHE 22 HD1 PHE 22 5.537 -2.215 -0.644 136 HD2 PHE 22 HD2 PHE 22 4.811 -2.957 3.484 137 HE1 PHE 22 HE1 PHE 22 5.006 0.165 -0.313 138 HE2 PHE 22 HE2 PHE 22 4.278 -0.579 3.821 139 HZ PHE 22 HZ PHE 22 4.375 0.986 1.921 140 H ILE 23 H ILE 23 6.752 -6.439 2.654 141 HA ILE 23 HA ILE 23 7.964 -8.397 0.864 142 HB ILE 23 HB ILE 23 6.978 -8.788 3.691 143 HG12 ILE 23 1HG1 ILE 23 9.617 -8.833 3.988 144 HG13 ILE 23 2HG1 ILE 23 9.559 -7.789 2.572 145 HG21 ILE 23 1HG2 ILE 23 7.873 -10.603 1.688 146 HG22 ILE 23 2HG2 ILE 23 9.066 -10.559 2.985 147 HG23 ILE 23 3HG2 ILE 23 7.383 -10.942 3.348 148 HD11 ILE 23 3HD1 ILE 23 7.641 -6.891 4.483 149 HD12 ILE 23 1HD1 ILE 23 9.210 -7.082 5.264 150 HD13 ILE 23 2HD1 ILE 23 9.053 -6.054 3.839 151 H ARG 24 H ARG 24 4.891 -7.733 2.471 152 HA ARG 24 HA ARG 24 3.641 -9.776 0.753 153 HB2 ARG 24 1HB ARG 24 2.741 -8.938 3.516 154 HB3 ARG 24 2HB ARG 24 1.989 -10.164 2.504 155 HG2 ARG 24 1HG ARG 24 4.311 -11.305 2.583 156 HG3 ARG 24 2HG ARG 24 4.580 -10.267 3.984 157 HD2 ARG 24 1HD ARG 24 3.727 -12.467 4.637 158 HD3 ARG 24 2HD ARG 24 2.601 -11.179 5.062 159 HE ARG 24 HE ARG 24 1.067 -12.130 3.667 160 HH11 ARG 24 1HH1 ARG 24 4.230 -13.319 2.828 161 HH12 ARG 24 2HH1 ARG 24 3.635 -14.463 1.670 162 HH21 ARG 24 1HH2 ARG 24 0.272 -13.632 2.146 163 HH22 ARG 24 2HH2 ARG 24 1.384 -14.639 1.282 164 H ASN 25 H ASN 25 1.864 -9.195 -0.394 165 HA ASN 25 HA ASN 25 1.394 -6.637 -1.184 166 HB2 ASN 25 1HB ASN 25 0.365 -8.940 -1.964 167 HB3 ASN 25 2HB ASN 25 -0.978 -8.442 -0.939 168 HD21 ASN 25 1HD2 ASN 25 -0.847 -5.684 -1.376 169 HD22 ASN 25 2HD2 ASN 25 -1.311 -5.369 -3.010 170 H SER 26 H SER 26 -0.614 -8.345 1.223 171 HA SER 26 HA SER 26 -2.312 -6.376 1.988 172 HB2 SER 26 1HB SER 26 -0.899 -8.400 3.734 173 HB3 SER 26 2HB SER 26 -2.229 -7.391 4.304 174 HG SER 26 HG SER 26 -2.258 -9.579 2.621 175 H GLN 27 H GLN 27 1.070 -6.694 2.920 176 HA GLN 27 HA GLN 27 1.117 -4.661 4.866 177 HB2 GLN 27 1HB GLN 27 3.389 -5.524 3.071 178 HB3 GLN 27 2HB GLN 27 3.527 -4.705 4.621 179 HG2 GLN 27 1HG GLN 27 2.100 -7.305 4.539 180 HG3 GLN 27 2HG GLN 27 3.856 -7.309 4.381 181 HE21 GLN 27 1HE2 GLN 27 4.511 -8.061 6.292 182 HE22 GLN 27 2HE2 GLN 27 4.118 -7.364 7.823 183 H LEU 28 H LEU 28 1.725 -4.602 1.378 184 HA LEU 28 HA LEU 28 2.464 -1.873 1.251 185 HB2 LEU 28 1HB LEU 28 3.131 -3.145 -0.573 186 HB3 LEU 28 2HB LEU 28 1.548 -3.901 -0.747 187 HG LEU 28 HG LEU 28 0.652 -1.787 -1.627 188 HD11 LEU 28 1HD1 LEU 28 2.614 -0.516 -0.382 189 HD12 LEU 28 2HD1 LEU 28 1.837 0.145 -1.820 190 HD13 LEU 28 3HD1 LEU 28 3.386 -0.685 -1.959 191 HD21 LEU 28 3HD2 LEU 28 1.146 -2.821 -3.535 192 HD22 LEU 28 1HD2 LEU 28 2.657 -3.456 -2.884 193 HD23 LEU 28 2HD2 LEU 28 2.610 -1.840 -3.589 194 H ILE 29 H ILE 29 -0.587 -3.507 0.392 195 HA ILE 29 HA ILE 29 -2.137 -1.407 -0.353 196 HB ILE 29 HB ILE 29 -3.010 -3.667 1.450 197 HG12 ILE 29 1HG1 ILE 29 -3.322 -3.463 -1.543 198 HG13 ILE 29 2HG1 ILE 29 -1.915 -4.214 -0.797 199 HG21 ILE 29 1HG2 ILE 29 -4.586 -1.767 1.409 200 HG22 ILE 29 2HG2 ILE 29 -4.678 -1.912 -0.345 201 HG23 ILE 29 3HG2 ILE 29 -5.256 -3.226 0.680 202 HD11 ILE 29 3HD1 ILE 29 -3.018 -6.110 -0.556 203 HD12 ILE 29 1HD1 ILE 29 -4.287 -5.298 0.361 204 HD13 ILE 29 2HD1 ILE 29 -4.389 -5.387 -1.398 205 H VAL 30 H VAL 30 -1.568 -2.446 3.001 206 HA VAL 30 HA VAL 30 -3.162 -0.593 4.307 207 HB VAL 30 HB VAL 30 -0.511 -1.722 5.215 208 HG11 VAL 30 1HG1 VAL 30 -2.560 -0.041 6.577 209 HG12 VAL 30 2HG1 VAL 30 -1.707 -1.274 7.508 210 HG13 VAL 30 3HG1 VAL 30 -0.802 0.005 6.698 211 HG21 VAL 30 3HG2 VAL 30 -1.609 -3.646 5.403 212 HG22 VAL 30 1HG2 VAL 30 -2.670 -2.882 6.587 213 HG23 VAL 30 2HG2 VAL 30 -3.112 -2.885 4.880 214 H HIS 31 H HIS 31 0.088 -0.238 3.005 215 HA HIS 31 HA HIS 31 0.496 2.371 4.133 216 HB2 HIS 31 1HB HIS 31 2.449 1.058 3.710 217 HB3 HIS 31 2HB HIS 31 1.981 0.787 2.034 218 HD1 HIS 31 HD1 HIS 31 3.184 3.564 4.305 219 HD2 HIS 31 HD2 HIS 31 2.915 2.650 0.261 220 HE1 HIS 31 HE1 HIS 31 4.450 5.385 3.119 221 H GLN 32 H GLN 32 -1.066 1.121 1.352 222 HA GLN 32 HA GLN 32 -0.877 3.571 -0.176 223 HB2 GLN 32 1HB GLN 32 -2.431 1.021 -0.632 224 HB3 GLN 32 2HB GLN 32 -2.424 2.382 -1.745 225 HG2 GLN 32 1HG GLN 32 0.064 2.122 -1.896 226 HG3 GLN 32 2HG GLN 32 -0.109 0.625 -0.982 227 HE21 GLN 32 1HE2 GLN 32 0.066 1.929 -4.010 228 HE22 GLN 32 2HE2 GLN 32 -0.622 0.630 -4.917 229 H ARG 33 H ARG 33 -3.043 2.093 2.086 230 HA ARG 33 HA ARG 33 -5.470 3.246 1.506 231 HB2 ARG 33 1HB ARG 33 -4.185 2.711 4.184 232 HB3 ARG 33 2HB ARG 33 -5.860 3.215 4.005 233 HG2 ARG 33 1HG ARG 33 -6.078 1.178 2.445 234 HG3 ARG 33 2HG ARG 33 -4.570 0.643 3.190 235 HD2 ARG 33 1HD ARG 33 -5.559 0.597 5.351 236 HD3 ARG 33 2HD ARG 33 -7.002 1.432 4.777 237 HE ARG 33 HE ARG 33 -6.501 -1.364 4.678 238 HH11 ARG 33 1HH1 ARG 33 -8.024 1.245 2.947 239 HH12 ARG 33 2HH1 ARG 33 -9.190 0.224 2.172 240 HH21 ARG 33 1HH2 ARG 33 -8.031 -2.718 3.664 241 HH22 ARG 33 2HH2 ARG 33 -9.193 -2.030 2.582 242 H THR 34 H THR 34 -2.741 4.678 3.247 243 HA THR 34 HA THR 34 -4.055 7.113 3.882 244 HB THR 34 HB THR 34 -2.034 6.298 5.076 245 HG1 THR 34 HG1 THR 34 -2.219 8.867 3.951 246 HG21 THR 34 3HG2 THR 34 -0.382 7.351 2.808 247 HG22 THR 34 1HG2 THR 34 -0.903 5.667 2.829 248 HG23 THR 34 2HG2 THR 34 0.096 6.297 4.139 249 H HIS 35 H HIS 35 -2.099 6.034 1.165 250 HA HIS 35 HA HIS 35 -1.717 8.560 -0.038 251 HB2 HIS 35 1HB HIS 35 -1.484 5.724 -0.913 252 HB3 HIS 35 2HB HIS 35 -1.580 6.955 -2.168 253 HD1 HIS 35 HD1 HIS 35 0.279 8.969 -1.826 254 HD2 HIS 35 HD2 HIS 35 1.028 5.314 0.003 255 HE1 HIS 35 HE1 HIS 35 2.744 8.959 -1.326 256 H SER 36 H SER 36 -4.298 6.185 -0.231 257 HA SER 36 HA SER 36 -5.664 7.566 -2.364 258 HB2 SER 36 1HB SER 36 -7.358 5.861 -2.150 259 HB3 SER 36 2HB SER 36 -5.781 5.081 -2.034 260 HG SER 36 HG SER 36 -7.597 4.649 -0.392 261 H GLY 37 H GLY 37 -5.192 9.348 -0.329 262 HA2 GLY 37 1HA GLY 37 -7.823 9.652 0.973 263 HA3 GLY 37 2HA GLY 37 -6.323 10.336 1.583 264 H GLU 38 H GLU 38 -5.265 11.522 -0.644 265 HA GLU 38 HA GLU 38 -7.274 13.594 -1.227 266 HB2 GLU 38 1HB GLU 38 -4.333 13.698 -0.721 267 HB3 GLU 38 2HB GLU 38 -5.043 14.901 -1.787 268 HG2 GLU 38 1HG GLU 38 -5.133 15.971 0.234 269 HG3 GLU 38 2HG GLU 38 -6.734 15.237 0.157 270 H SER 39 H SER 39 -7.788 14.052 -3.283 271 HA SER 39 HA SER 39 -6.156 12.844 -5.418 272 HB2 SER 39 1HB SER 39 -8.147 11.505 -5.235 273 HB3 SER 39 2HB SER 39 -9.171 12.940 -5.197 274 HG SER 39 HG SER 39 -9.115 11.946 -7.269 275 H GLY 40 H GLY 40 -5.247 14.418 -6.558 276 HA2 GLY 40 1HA GLY 40 -6.095 16.137 -8.284 277 HA3 GLY 40 2HA GLY 40 -6.687 16.968 -6.853 278 HA PRO 41 HA PRO 41 -1.837 17.062 -6.688 279 HB2 PRO 41 1HB PRO 41 -0.575 16.461 -9.015 280 HB3 PRO 41 2HB PRO 41 -0.945 15.249 -7.782 281 HG2 PRO 41 1HG PRO 41 -2.414 15.888 -10.311 282 HG3 PRO 41 2HG PRO 41 -2.022 14.305 -9.614 283 HD2 PRO 41 1HD PRO 41 -4.471 15.436 -9.374 284 HD3 PRO 41 2HD PRO 41 -3.777 14.388 -8.121 285 H SER 42 H SER 42 -3.986 18.267 -8.967 286 HA SER 42 HA SER 42 -2.270 20.617 -9.426 287 HB2 SER 42 1HB SER 42 -3.963 19.082 -11.365 288 HB3 SER 42 2HB SER 42 -3.728 20.814 -11.603 289 HG SER 42 HG SER 42 -2.011 20.060 -12.616 290 H SER 43 H SER 43 -3.297 21.496 -7.530 291 HA SER 43 HA SER 43 -5.466 23.190 -8.128 292 HB2 SER 43 1HB SER 43 -7.159 22.254 -6.584 293 HB3 SER 43 2HB SER 43 -6.816 21.163 -7.927 294 HG SER 43 HG SER 43 -6.044 20.954 -5.225 295 H GLY 44 H GLY 44 -4.827 24.937 -7.060 296 HA2 GLY 44 1HA GLY 44 -4.415 26.276 -5.208 297 HA3 GLY 44 2HA GLY 44 -4.456 24.839 -4.197 Start of MODEL 14 1 H1 GLY 1 H GLY 1 23.423 16.444 4.315 2 HA2 GLY 1 1HA GLY 1 26.084 15.778 3.310 3 HA3 GLY 1 2HA GLY 1 25.166 14.871 4.504 4 H SER 2 H SER 2 24.460 12.968 3.835 5 HA SER 2 HA SER 2 23.857 12.628 0.969 6 HB2 SER 2 1HB SER 2 24.627 10.289 1.180 7 HB3 SER 2 2HB SER 2 25.914 11.437 1.549 8 HG SER 2 HG SER 2 25.728 10.974 3.682 9 H SER 3 H SER 3 22.484 10.554 0.647 10 HA SER 3 HA SER 3 20.398 10.464 2.727 11 HB2 SER 3 1HB SER 3 18.759 10.131 0.841 12 HB3 SER 3 2HB SER 3 19.497 11.732 0.897 13 HG SER 3 HG SER 3 21.087 10.696 -0.641 14 H GLY 4 H GLY 4 19.282 8.485 2.979 15 HA2 GLY 4 1HA GLY 4 20.144 6.172 1.455 16 HA3 GLY 4 2HA GLY 4 20.668 6.188 3.132 17 H SER 5 H SER 5 17.727 6.590 1.167 18 HA SER 5 HA SER 5 16.278 5.058 3.225 19 HB2 SER 5 1HB SER 5 15.235 7.406 1.622 20 HB3 SER 5 2HB SER 5 14.271 6.419 2.721 21 HG SER 5 HG SER 5 15.487 8.537 3.400 22 H SER 6 H SER 6 15.988 6.194 -0.145 23 HA SER 6 HA SER 6 14.558 3.742 -0.829 24 HB2 SER 6 1HB SER 6 15.123 6.204 -2.501 25 HB3 SER 6 2HB SER 6 14.096 4.851 -2.976 26 HG SER 6 HG SER 6 12.543 5.628 -1.788 27 H GLY 7 H GLY 7 16.240 2.230 -0.759 28 HA2 GLY 7 1HA GLY 7 18.187 2.500 -2.965 29 HA3 GLY 7 2HA GLY 7 18.639 1.834 -1.403 30 H THR 8 H THR 8 18.707 -0.300 -1.303 31 HA THR 8 HA THR 8 17.959 -1.976 -3.419 32 HB THR 8 HB THR 8 18.410 -2.739 -0.527 33 HG1 THR 8 HG1 THR 8 20.130 -2.266 -2.713 34 HG21 THR 8 3HG2 THR 8 17.673 -4.737 -1.258 35 HG22 THR 8 1HG2 THR 8 19.244 -4.841 -2.052 36 HG23 THR 8 2HG2 THR 8 17.834 -4.285 -2.955 37 H ARG 9 H ARG 9 15.869 -1.973 -4.065 38 HA ARG 9 HA ARG 9 13.762 -2.313 -2.062 39 HB2 ARG 9 1HB ARG 9 12.208 -1.770 -3.871 40 HB3 ARG 9 2HB ARG 9 13.453 -0.537 -3.722 41 HG2 ARG 9 1HG ARG 9 14.627 -2.031 -5.569 42 HG3 ARG 9 2HG ARG 9 12.953 -2.482 -5.900 43 HD2 ARG 9 1HD ARG 9 12.352 -0.162 -6.213 44 HD3 ARG 9 2HD ARG 9 13.976 0.351 -5.757 45 HE ARG 9 HE ARG 9 13.127 -0.580 -8.317 46 HH11 ARG 9 1HH1 ARG 9 15.835 -0.451 -6.133 47 HH12 ARG 9 2HH1 ARG 9 17.021 -0.564 -7.391 48 HH21 ARG 9 1HH2 ARG 9 14.679 -0.729 -9.982 49 HH22 ARG 9 2HH2 ARG 9 16.363 -0.722 -9.579 50 H GLU 10 H GLU 10 15.280 -4.547 -2.255 51 HA GLU 10 HA GLU 10 14.754 -6.465 -4.134 52 HB2 GLU 10 1HB GLU 10 15.152 -8.137 -2.383 53 HB3 GLU 10 2HB GLU 10 16.305 -6.814 -2.283 54 HG2 GLU 10 1HG GLU 10 15.369 -5.968 -0.346 55 HG3 GLU 10 2HG GLU 10 13.825 -6.774 -0.620 56 H LYS 11 H LYS 11 12.650 -5.317 -1.585 57 HA LYS 11 HA LYS 11 10.745 -7.294 -1.444 58 HB2 LYS 11 1HB LYS 11 10.699 -4.340 -1.110 59 HB3 LYS 11 2HB LYS 11 9.147 -5.156 -1.245 60 HG2 LYS 11 1HG LYS 11 9.402 -5.240 1.005 61 HG3 LYS 11 2HG LYS 11 10.239 -6.735 0.581 62 HD2 LYS 11 1HD LYS 11 12.318 -5.123 0.413 63 HD3 LYS 11 2HD LYS 11 11.346 -4.123 1.495 64 HE2 LYS 11 1HE LYS 11 11.067 -6.294 2.868 65 HE3 LYS 11 2HE LYS 11 12.451 -6.873 1.943 66 HZ1 LYS 11 3HZ LYS 11 13.250 -4.425 2.771 67 HZ2 LYS 11 1HZ LYS 11 13.656 -5.887 3.518 68 HZ3 LYS 11 2HZ LYS 11 12.355 -4.975 4.098 69 HA PRO 12 HA PRO 12 9.011 -7.534 -5.497 70 HB2 PRO 12 1HB PRO 12 6.750 -8.893 -4.856 71 HB3 PRO 12 2HB PRO 12 8.345 -9.653 -4.912 72 HG2 PRO 12 1HG PRO 12 6.803 -8.657 -2.547 73 HG3 PRO 12 2HG PRO 12 7.732 -10.157 -2.726 74 HD2 PRO 12 1HD PRO 12 8.707 -7.986 -1.435 75 HD3 PRO 12 2HD PRO 12 9.746 -9.105 -2.341 76 H TYR 13 H TYR 13 6.800 -6.668 -2.839 77 HA TYR 13 HA TYR 13 5.046 -5.228 -4.619 78 HB2 TYR 13 1HB TYR 13 5.068 -5.388 -1.598 79 HB3 TYR 13 2HB TYR 13 3.781 -4.691 -2.576 80 HD1 TYR 13 HD2 TYR 13 2.320 -6.135 -3.920 81 HD2 TYR 13 HD1 TYR 13 5.322 -7.774 -1.388 82 HE1 TYR 13 HE2 TYR 13 1.241 -8.339 -4.077 83 HE2 TYR 13 HE1 TYR 13 4.252 -9.984 -1.540 84 HH TYR 13 HH TYR 13 1.562 -10.577 -3.712 85 H GLU 14 H GLU 14 4.999 -3.092 -5.008 86 HA GLU 14 HA GLU 14 6.679 -1.326 -3.370 87 HB2 GLU 14 1HB GLU 14 6.888 -1.873 -6.271 88 HB3 GLU 14 2HB GLU 14 6.990 -0.183 -5.797 89 HG2 GLU 14 1HG GLU 14 8.982 -0.447 -4.747 90 HG3 GLU 14 2HG GLU 14 8.646 -2.116 -4.288 91 H CYS 15 H CYS 15 5.974 0.802 -3.191 92 HA CYS 15 HA CYS 15 3.150 1.174 -3.566 93 HB2 CYS 15 1HB CYS 15 4.509 2.010 -1.589 94 HB3 CYS 15 2HB CYS 15 5.144 3.252 -2.662 95 H SER 16 H SER 16 2.163 2.093 -5.237 96 HA SER 16 HA SER 16 3.736 3.172 -7.410 97 HB2 SER 16 1HB SER 16 0.794 2.601 -7.058 98 HB3 SER 16 2HB SER 16 1.429 3.411 -8.490 99 HG SER 16 HG SER 16 2.574 1.600 -9.008 100 H GLU 17 H GLU 17 3.207 4.559 -4.702 101 HA GLU 17 HA GLU 17 2.249 7.114 -5.814 102 HB2 GLU 17 1HB GLU 17 2.299 6.385 -2.889 103 HB3 GLU 17 2HB GLU 17 1.465 7.732 -3.651 104 HG2 GLU 17 1HG GLU 17 0.744 4.961 -4.455 105 HG3 GLU 17 2HG GLU 17 0.174 5.579 -2.906 106 H CYS 18 H CYS 18 4.600 5.631 -3.617 107 HA CYS 18 HA CYS 18 6.318 7.995 -3.997 108 HB2 CYS 18 1HB CYS 18 7.249 7.582 -1.761 109 HB3 CYS 18 2HB CYS 18 5.514 7.870 -1.687 110 H GLY 19 H GLY 19 6.132 4.497 -3.703 111 HA2 GLY 19 1HA GLY 19 7.552 3.229 -5.258 112 HA3 GLY 19 2HA GLY 19 8.849 4.346 -4.857 113 H LYS 20 H LYS 20 6.974 3.558 -2.165 114 HA LYS 20 HA LYS 20 9.031 2.427 -0.705 115 HB2 LYS 20 1HB LYS 20 6.743 3.315 0.081 116 HB3 LYS 20 2HB LYS 20 6.150 1.690 -0.238 117 HG2 LYS 20 1HG LYS 20 7.270 0.782 1.522 118 HG3 LYS 20 2HG LYS 20 8.574 1.970 1.449 119 HD2 LYS 20 1HD LYS 20 6.746 3.653 2.189 120 HD3 LYS 20 2HD LYS 20 5.858 2.212 2.689 121 HE2 LYS 20 1HE LYS 20 7.481 1.622 4.267 122 HE3 LYS 20 2HE LYS 20 8.698 2.668 3.539 123 HZ1 LYS 20 3HZ LYS 20 7.712 3.505 5.654 124 HZ2 LYS 20 1HZ LYS 20 6.240 3.695 4.841 125 HZ3 LYS 20 2HZ LYS 20 7.596 4.582 4.354 126 H ALA 21 H ALA 21 8.644 0.119 0.380 127 HA ALA 21 HA ALA 21 8.056 -1.870 -1.688 128 HB1 ALA 21 3HB ALA 21 10.424 -2.599 -0.180 129 HB2 ALA 21 1HB ALA 21 10.145 -2.607 -1.921 130 HB3 ALA 21 2HB ALA 21 10.654 -1.122 -1.116 131 H PHE 22 H PHE 22 7.667 -3.997 -0.869 132 HA PHE 22 HA PHE 22 7.522 -4.377 1.998 133 HB2 PHE 22 1HB PHE 22 4.997 -4.575 0.348 134 HB3 PHE 22 2HB PHE 22 5.150 -4.820 2.084 135 HD1 PHE 22 HD1 PHE 22 5.420 -2.276 -0.591 136 HD2 PHE 22 HD2 PHE 22 4.969 -3.025 3.575 137 HE1 PHE 22 HE1 PHE 22 4.934 0.107 -0.218 138 HE2 PHE 22 HE2 PHE 22 4.482 -0.644 3.954 139 HZ PHE 22 HZ PHE 22 4.463 0.926 2.056 140 H ILE 23 H ILE 23 6.876 -6.595 2.571 141 HA ILE 23 HA ILE 23 7.999 -8.472 0.671 142 HB ILE 23 HB ILE 23 6.993 -8.893 3.487 143 HG12 ILE 23 1HG1 ILE 23 9.025 -7.448 3.214 144 HG13 ILE 23 2HG1 ILE 23 9.308 -8.919 4.138 145 HG21 ILE 23 1HG2 ILE 23 8.676 -10.790 1.873 146 HG22 ILE 23 2HG2 ILE 23 7.864 -11.083 3.410 147 HG23 ILE 23 3HG2 ILE 23 6.917 -10.894 1.935 148 HD11 ILE 23 3HD1 ILE 23 11.057 -8.240 2.422 149 HD12 ILE 23 1HD1 ILE 23 10.502 -9.914 2.400 150 HD13 ILE 23 2HD1 ILE 23 9.894 -8.768 1.206 151 H ARG 24 H ARG 24 4.902 -7.894 2.281 152 HA ARG 24 HA ARG 24 3.652 -9.736 0.350 153 HB2 ARG 24 1HB ARG 24 2.647 -9.223 3.151 154 HB3 ARG 24 2HB ARG 24 2.065 -10.427 2.009 155 HG2 ARG 24 1HG ARG 24 4.183 -11.621 2.170 156 HG3 ARG 24 2HG ARG 24 4.787 -10.404 3.296 157 HD2 ARG 24 1HD ARG 24 3.995 -12.410 4.460 158 HD3 ARG 24 2HD ARG 24 3.049 -10.986 4.890 159 HE ARG 24 HE ARG 24 1.205 -11.946 3.915 160 HH11 ARG 24 1HH1 ARG 24 4.059 -13.726 3.019 161 HH12 ARG 24 2HH1 ARG 24 3.177 -15.032 2.299 162 HH21 ARG 24 1HH2 ARG 24 0.032 -13.659 2.970 163 HH22 ARG 24 2HH2 ARG 24 0.887 -14.992 2.271 164 H ASN 25 H ASN 25 1.765 -9.079 -0.617 165 HA ASN 25 HA ASN 25 1.323 -6.432 -1.145 166 HB2 ASN 25 1HB ASN 25 0.261 -8.646 -2.135 167 HB3 ASN 25 2HB ASN 25 -1.060 -8.232 -1.047 168 HD21 ASN 25 1HD2 ASN 25 -0.565 -5.365 -1.305 169 HD22 ASN 25 2HD2 ASN 25 -1.174 -4.918 -2.859 170 H SER 26 H SER 26 -0.545 -8.397 1.173 171 HA SER 26 HA SER 26 -2.303 -6.628 2.179 172 HB2 SER 26 1HB SER 26 -1.660 -9.043 2.973 173 HB3 SER 26 2HB SER 26 -0.682 -8.185 4.164 174 HG SER 26 HG SER 26 -2.883 -6.964 4.360 175 H GLN 27 H GLN 27 1.157 -6.625 2.774 176 HA GLN 27 HA GLN 27 1.133 -4.654 4.818 177 HB2 GLN 27 1HB GLN 27 3.403 -5.287 2.930 178 HB3 GLN 27 2HB GLN 27 3.518 -4.555 4.525 179 HG2 GLN 27 1HG GLN 27 2.330 -6.829 5.218 180 HG3 GLN 27 2HG GLN 27 3.140 -7.384 3.754 181 HE21 GLN 27 1HE2 GLN 27 5.427 -5.800 3.883 182 HE22 GLN 27 2HE2 GLN 27 6.381 -6.315 5.227 183 H LEU 28 H LEU 28 1.965 -4.462 1.356 184 HA LEU 28 HA LEU 28 2.417 -1.732 1.208 185 HB2 LEU 28 1HB LEU 28 3.016 -2.977 -0.666 186 HB3 LEU 28 2HB LEU 28 1.437 -3.751 -0.772 187 HG LEU 28 HG LEU 28 0.473 -1.615 -1.547 188 HD11 LEU 28 1HD1 LEU 28 1.966 0.196 -2.227 189 HD12 LEU 28 2HD1 LEU 28 3.338 -0.674 -1.543 190 HD13 LEU 28 3HD1 LEU 28 2.049 -0.091 -0.489 191 HD21 LEU 28 3HD2 LEU 28 2.204 -1.615 -3.666 192 HD22 LEU 28 1HD2 LEU 28 0.841 -2.716 -3.459 193 HD23 LEU 28 2HD2 LEU 28 2.461 -3.215 -2.969 194 H ILE 29 H ILE 29 -0.622 -3.452 0.484 195 HA ILE 29 HA ILE 29 -2.297 -1.436 -0.153 196 HB ILE 29 HB ILE 29 -2.946 -3.678 1.764 197 HG12 ILE 29 1HG1 ILE 29 -3.528 -3.550 -1.191 198 HG13 ILE 29 2HG1 ILE 29 -2.027 -4.224 -0.566 199 HG21 ILE 29 1HG2 ILE 29 -5.078 -2.633 0.060 200 HG22 ILE 29 2HG2 ILE 29 -5.097 -3.057 1.771 201 HG23 ILE 29 3HG2 ILE 29 -4.491 -1.482 1.260 202 HD11 ILE 29 3HD1 ILE 29 -4.819 -5.247 -0.274 203 HD12 ILE 29 1HD1 ILE 29 -3.379 -6.077 -0.864 204 HD13 ILE 29 2HD1 ILE 29 -3.553 -5.727 0.856 205 H VAL 30 H VAL 30 -1.683 -2.448 3.214 206 HA VAL 30 HA VAL 30 -3.160 -0.522 4.521 207 HB VAL 30 HB VAL 30 -0.514 -1.700 5.382 208 HG11 VAL 30 1HG1 VAL 30 -1.314 0.439 6.541 209 HG12 VAL 30 2HG1 VAL 30 -2.607 -0.561 7.206 210 HG13 VAL 30 3HG1 VAL 30 -0.923 -0.947 7.558 211 HG21 VAL 30 3HG2 VAL 30 -1.788 -3.349 6.544 212 HG22 VAL 30 1HG2 VAL 30 -3.302 -2.526 6.170 213 HG23 VAL 30 2HG2 VAL 30 -2.379 -3.301 4.883 214 H HIS 31 H HIS 31 0.054 -0.259 3.116 215 HA HIS 31 HA HIS 31 0.508 2.383 4.180 216 HB2 HIS 31 1HB HIS 31 2.427 0.960 3.831 217 HB3 HIS 31 2HB HIS 31 2.009 0.737 2.135 218 HD1 HIS 31 HD1 HIS 31 3.400 3.298 4.510 219 HD2 HIS 31 HD2 HIS 31 2.870 2.738 0.428 220 HE1 HIS 31 HE1 HIS 31 4.712 5.136 3.404 221 H GLN 32 H GLN 32 -1.041 1.036 1.442 222 HA GLN 32 HA GLN 32 -0.796 3.432 -0.175 223 HB2 GLN 32 1HB GLN 32 -2.283 0.839 -0.596 224 HB3 GLN 32 2HB GLN 32 -2.304 2.171 -1.743 225 HG2 GLN 32 1HG GLN 32 0.232 1.979 -1.766 226 HG3 GLN 32 2HG GLN 32 0.006 0.437 -0.942 227 HE21 GLN 32 1HE2 GLN 32 0.659 1.644 -3.818 228 HE22 GLN 32 2HE2 GLN 32 -0.119 0.498 -4.850 229 H ARG 33 H ARG 33 -2.992 2.036 2.094 230 HA ARG 33 HA ARG 33 -5.415 3.162 1.376 231 HB2 ARG 33 1HB ARG 33 -4.267 2.694 4.132 232 HB3 ARG 33 2HB ARG 33 -5.948 3.108 3.823 233 HG2 ARG 33 1HG ARG 33 -6.024 1.042 2.344 234 HG3 ARG 33 2HG ARG 33 -4.480 0.602 3.077 235 HD2 ARG 33 1HD ARG 33 -6.096 -0.504 4.368 236 HD3 ARG 33 2HD ARG 33 -5.644 0.909 5.321 237 HE ARG 33 HE ARG 33 -8.186 0.445 3.976 238 HH11 ARG 33 1HH1 ARG 33 -6.128 2.600 5.776 239 HH12 ARG 33 2HH1 ARG 33 -7.423 3.649 6.252 240 HH21 ARG 33 1HH2 ARG 33 -9.899 1.818 4.596 241 HH22 ARG 33 2HH2 ARG 33 -9.567 3.202 5.581 242 H THR 34 H THR 34 -2.691 4.618 3.070 243 HA THR 34 HA THR 34 -4.037 7.054 3.703 244 HB THR 34 HB THR 34 -2.054 6.269 4.961 245 HG1 THR 34 HG1 THR 34 -1.422 8.746 3.732 246 HG21 THR 34 3HG2 THR 34 0.087 6.175 4.077 247 HG22 THR 34 1HG2 THR 34 -0.312 7.234 2.725 248 HG23 THR 34 2HG2 THR 34 -0.887 5.567 2.739 249 H HIS 35 H HIS 35 -1.974 5.969 1.060 250 HA HIS 35 HA HIS 35 -1.621 8.494 -0.161 251 HB2 HIS 35 1HB HIS 35 -1.253 5.656 -0.988 252 HB3 HIS 35 2HB HIS 35 -1.322 6.875 -2.258 253 HD1 HIS 35 HD1 HIS 35 0.434 8.982 -1.760 254 HD2 HIS 35 HD2 HIS 35 1.241 5.295 -0.023 255 HE1 HIS 35 HE1 HIS 35 2.875 9.043 -1.156 256 H SER 36 H SER 36 -4.105 6.026 -0.421 257 HA SER 36 HA SER 36 -5.451 7.458 -2.567 258 HB2 SER 36 1HB SER 36 -5.254 4.853 -2.242 259 HB3 SER 36 2HB SER 36 -6.644 5.085 -1.182 260 HG SER 36 HG SER 36 -6.859 4.719 -3.649 261 H GLY 37 H GLY 37 -5.766 9.374 -1.182 262 HA2 GLY 37 1HA GLY 37 -7.793 10.519 -0.485 263 HA3 GLY 37 2HA GLY 37 -8.232 9.073 0.411 264 H GLU 38 H GLU 38 -6.816 12.120 0.586 265 HA GLU 38 HA GLU 38 -5.899 11.555 3.322 266 HB2 GLU 38 1HB GLU 38 -4.002 11.830 1.648 267 HB3 GLU 38 2HB GLU 38 -4.508 13.506 1.492 268 HG2 GLU 38 1HG GLU 38 -4.284 13.488 4.103 269 HG3 GLU 38 2HG GLU 38 -3.221 12.118 3.785 270 H SER 39 H SER 39 -6.586 12.954 4.838 271 HA SER 39 HA SER 39 -8.598 14.850 4.170 272 HB2 SER 39 1HB SER 39 -8.578 15.376 6.598 273 HB3 SER 39 2HB SER 39 -8.688 13.644 6.284 274 HG SER 39 HG SER 39 -6.697 15.091 7.505 275 H GLY 40 H GLY 40 -7.153 16.050 2.631 276 HA2 GLY 40 1HA GLY 40 -5.141 17.770 3.789 277 HA3 GLY 40 2HA GLY 40 -5.680 17.769 2.116 278 HA PRO 41 HA PRO 41 -7.999 21.423 2.785 279 HB2 PRO 41 1HB PRO 41 -10.192 21.015 1.238 280 HB3 PRO 41 2HB PRO 41 -8.590 21.341 0.566 281 HG2 PRO 41 1HG PRO 41 -10.006 18.725 0.904 282 HG3 PRO 41 2HG PRO 41 -9.062 19.317 -0.476 283 HD2 PRO 41 1HD PRO 41 -8.052 17.586 1.345 284 HD3 PRO 41 2HD PRO 41 -7.048 18.793 0.515 285 H SER 42 H SER 42 -10.369 22.179 3.227 286 HA SER 42 HA SER 42 -11.145 21.353 5.726 287 HB2 SER 42 1HB SER 42 -13.254 22.522 5.337 288 HB3 SER 42 2HB SER 42 -11.919 23.439 4.639 289 HG SER 42 HG SER 42 -12.521 22.764 2.619 290 H SER 43 H SER 43 -11.505 19.272 6.220 291 HA SER 43 HA SER 43 -13.450 17.783 4.582 292 HB2 SER 43 1HB SER 43 -12.367 15.734 5.629 293 HB3 SER 43 2HB SER 43 -11.365 16.634 4.490 294 HG SER 43 HG SER 43 -10.617 15.971 6.813 295 H GLY 44 H GLY 44 -14.237 19.621 6.605 296 HA2 GLY 44 1HA GLY 44 -16.096 18.066 8.024 297 HA3 GLY 44 2HA GLY 44 -14.749 18.424 9.095 Start of MODEL 15 1 H1 GLY 1 H GLY 1 29.679 14.387 -10.209 2 HA2 GLY 1 1HA GLY 1 27.099 13.464 -10.298 3 HA3 GLY 1 2HA GLY 1 28.502 12.409 -10.202 4 H SER 2 H SER 2 25.723 13.535 -8.618 5 HA SER 2 HA SER 2 26.609 12.573 -6.002 6 HB2 SER 2 1HB SER 2 24.551 13.551 -5.137 7 HB3 SER 2 2HB SER 2 25.393 14.734 -6.137 8 HG SER 2 HG SER 2 23.896 13.634 -7.842 9 H SER 3 H SER 3 26.425 10.591 -7.927 10 HA SER 3 HA SER 3 23.906 9.269 -7.902 11 HB2 SER 3 1HB SER 3 25.867 8.993 -9.570 12 HB3 SER 3 2HB SER 3 26.529 7.872 -8.381 13 HG SER 3 HG SER 3 25.067 7.038 -10.131 14 H GLY 4 H GLY 4 23.223 7.482 -6.725 15 HA2 GLY 4 1HA GLY 4 24.787 6.950 -4.274 16 HA3 GLY 4 2HA GLY 4 23.030 6.988 -4.316 17 H SER 5 H SER 5 21.985 5.121 -4.567 18 HA SER 5 HA SER 5 23.138 2.927 -6.044 19 HB2 SER 5 1HB SER 5 22.933 1.341 -4.089 20 HB3 SER 5 2HB SER 5 24.253 2.504 -3.963 21 HG SER 5 HG SER 5 22.604 3.802 -2.748 22 H SER 6 H SER 6 21.439 2.480 -7.287 23 HA SER 6 HA SER 6 18.772 2.366 -6.049 24 HB2 SER 6 1HB SER 6 19.578 2.704 -8.948 25 HB3 SER 6 2HB SER 6 17.913 2.551 -8.386 26 HG SER 6 HG SER 6 18.205 4.689 -8.421 27 H GLY 7 H GLY 7 17.278 0.736 -7.183 28 HA2 GLY 7 1HA GLY 7 16.844 -1.411 -7.961 29 HA3 GLY 7 2HA GLY 7 18.570 -1.646 -8.192 30 H THR 8 H THR 8 19.258 -0.888 -5.468 31 HA THR 8 HA THR 8 19.568 -3.213 -4.191 32 HB THR 8 HB THR 8 18.759 -0.655 -2.793 33 HG1 THR 8 HG1 THR 8 21.241 -0.754 -2.575 34 HG21 THR 8 3HG2 THR 8 18.657 -2.216 -1.096 35 HG22 THR 8 1HG2 THR 8 20.356 -1.751 -1.026 36 HG23 THR 8 2HG2 THR 8 19.884 -3.249 -1.828 37 H ARG 9 H ARG 9 16.617 -1.251 -3.997 38 HA ARG 9 HA ARG 9 15.104 -2.469 -2.151 39 HB2 ARG 9 1HB ARG 9 14.311 -1.616 -4.930 40 HB3 ARG 9 2HB ARG 9 13.132 -2.176 -3.752 41 HG2 ARG 9 1HG ARG 9 13.449 -0.338 -2.371 42 HG3 ARG 9 2HG ARG 9 15.016 0.048 -3.084 43 HD2 ARG 9 1HD ARG 9 12.434 0.208 -4.621 44 HD3 ARG 9 2HD ARG 9 13.089 1.568 -3.709 45 HE ARG 9 HE ARG 9 15.165 0.917 -5.256 46 HH11 ARG 9 1HH1 ARG 9 11.793 1.348 -6.005 47 HH12 ARG 9 2HH1 ARG 9 12.087 1.887 -7.625 48 HH21 ARG 9 1HH2 ARG 9 15.566 1.626 -7.387 49 HH22 ARG 9 2HH2 ARG 9 14.234 2.044 -8.410 50 H GLU 10 H GLU 10 14.885 -4.542 -1.643 51 HA GLU 10 HA GLU 10 14.948 -6.569 -3.744 52 HB2 GLU 10 1HB GLU 10 15.029 -6.809 -0.732 53 HB3 GLU 10 2HB GLU 10 15.083 -8.173 -1.840 54 HG2 GLU 10 1HG GLU 10 17.093 -5.949 -1.938 55 HG3 GLU 10 2HG GLU 10 17.289 -7.359 -0.898 56 H LYS 11 H LYS 11 12.854 -5.374 -1.165 57 HA LYS 11 HA LYS 11 10.828 -7.168 -1.083 58 HB2 LYS 11 1HB LYS 11 10.943 -4.214 -0.856 59 HB3 LYS 11 2HB LYS 11 9.346 -4.917 -1.078 60 HG2 LYS 11 1HG LYS 11 9.603 -4.768 1.232 61 HG3 LYS 11 2HG LYS 11 9.944 -6.460 0.864 62 HD2 LYS 11 1HD LYS 11 11.725 -6.019 2.217 63 HD3 LYS 11 2HD LYS 11 12.421 -5.524 0.672 64 HE2 LYS 11 1HE LYS 11 10.917 -3.486 2.215 65 HE3 LYS 11 2HE LYS 11 12.491 -3.978 2.839 66 HZ1 LYS 11 3HZ LYS 11 12.138 -2.067 1.007 67 HZ2 LYS 11 1HZ LYS 11 12.415 -3.400 0.003 68 HZ3 LYS 11 2HZ LYS 11 13.563 -2.965 1.167 69 HA PRO 12 HA PRO 12 9.322 -7.509 -5.232 70 HB2 PRO 12 1HB PRO 12 7.083 -8.935 -4.661 71 HB3 PRO 12 2HB PRO 12 8.702 -9.646 -4.658 72 HG2 PRO 12 1HG PRO 12 7.049 -8.686 -2.353 73 HG3 PRO 12 2HG PRO 12 8.029 -10.158 -2.491 74 HD2 PRO 12 1HD PRO 12 8.891 -7.951 -1.180 75 HD3 PRO 12 2HD PRO 12 9.995 -9.041 -2.043 76 H TYR 13 H TYR 13 6.911 -6.794 -2.698 77 HA TYR 13 HA TYR 13 5.172 -5.428 -4.511 78 HB2 TYR 13 1HB TYR 13 5.202 -5.472 -1.487 79 HB3 TYR 13 2HB TYR 13 3.898 -4.831 -2.480 80 HD1 TYR 13 HD2 TYR 13 2.556 -6.383 -3.897 81 HD2 TYR 13 HD1 TYR 13 5.409 -7.806 -1.080 82 HE1 TYR 13 HE2 TYR 13 1.520 -8.611 -3.983 83 HE2 TYR 13 HE1 TYR 13 4.382 -10.039 -1.158 84 HH TYR 13 HH TYR 13 2.264 -11.005 -3.534 85 H GLU 14 H GLU 14 5.063 -3.320 -5.010 86 HA GLU 14 HA GLU 14 6.677 -1.421 -3.453 87 HB2 GLU 14 1HB GLU 14 6.877 -2.072 -6.338 88 HB3 GLU 14 2HB GLU 14 6.956 -0.368 -5.913 89 HG2 GLU 14 1HG GLU 14 8.959 -0.574 -4.865 90 HG3 GLU 14 2HG GLU 14 8.657 -2.239 -4.373 91 H CYS 15 H CYS 15 5.900 0.689 -3.370 92 HA CYS 15 HA CYS 15 3.062 0.945 -3.741 93 HB2 CYS 15 1HB CYS 15 4.347 1.916 -1.804 94 HB3 CYS 15 2HB CYS 15 5.023 3.095 -2.924 95 H SER 16 H SER 16 2.031 1.759 -5.439 96 HA SER 16 HA SER 16 3.546 2.770 -7.682 97 HB2 SER 16 1HB SER 16 1.396 2.751 -8.868 98 HB3 SER 16 2HB SER 16 1.667 1.217 -8.042 99 HG SER 16 HG SER 16 0.423 2.615 -6.289 100 H GLU 17 H GLU 17 2.941 4.256 -5.007 101 HA GLU 17 HA GLU 17 1.926 6.738 -6.225 102 HB2 GLU 17 1HB GLU 17 2.090 6.117 -3.276 103 HB3 GLU 17 2HB GLU 17 1.238 7.449 -4.044 104 HG2 GLU 17 1HG GLU 17 0.466 4.682 -4.787 105 HG3 GLU 17 2HG GLU 17 -0.016 5.290 -3.204 106 H CYS 18 H CYS 18 4.396 5.434 -4.044 107 HA CYS 18 HA CYS 18 6.041 7.808 -4.629 108 HB2 CYS 18 1HB CYS 18 7.046 7.565 -2.392 109 HB3 CYS 18 2HB CYS 18 5.312 7.857 -2.299 110 H GLY 19 H GLY 19 5.956 4.339 -4.034 111 HA2 GLY 19 1HA GLY 19 7.371 3.006 -5.563 112 HA3 GLY 19 2HA GLY 19 8.655 4.160 -5.229 113 H LYS 20 H LYS 20 6.834 3.539 -2.473 114 HA LYS 20 HA LYS 20 8.882 2.525 -0.950 115 HB2 LYS 20 1HB LYS 20 6.488 3.335 -0.295 116 HB3 LYS 20 2HB LYS 20 6.065 1.633 -0.435 117 HG2 LYS 20 1HG LYS 20 7.257 1.039 1.411 118 HG3 LYS 20 2HG LYS 20 8.432 2.341 1.208 119 HD2 LYS 20 1HD LYS 20 6.908 3.957 2.065 120 HD3 LYS 20 2HD LYS 20 5.568 2.809 2.016 121 HE2 LYS 20 1HE LYS 20 6.147 2.805 4.257 122 HE3 LYS 20 2HE LYS 20 7.031 1.412 3.634 123 HZ1 LYS 20 3HZ LYS 20 8.560 3.808 3.427 124 HZ2 LYS 20 1HZ LYS 20 8.954 2.344 4.179 125 HZ3 LYS 20 2HZ LYS 20 8.085 3.522 5.026 126 H ALA 21 H ALA 21 8.541 0.255 0.249 127 HA ALA 21 HA ALA 21 8.045 -1.858 -1.709 128 HB1 ALA 21 3HB ALA 21 10.516 -2.228 -0.149 129 HB2 ALA 21 1HB ALA 21 10.147 -2.663 -1.818 130 HB3 ALA 21 2HB ALA 21 10.580 -1.001 -1.414 131 H PHE 22 H PHE 22 7.668 -3.919 -0.792 132 HA PHE 22 HA PHE 22 7.600 -4.148 2.106 133 HB2 PHE 22 1HB PHE 22 5.103 -4.496 0.434 134 HB3 PHE 22 2HB PHE 22 5.238 -4.802 2.162 135 HD1 PHE 22 HD1 PHE 22 5.351 -2.165 -0.420 136 HD2 PHE 22 HD2 PHE 22 5.034 -3.058 3.729 137 HE1 PHE 22 HE1 PHE 22 4.749 0.177 0.034 138 HE2 PHE 22 HE2 PHE 22 4.430 -0.718 4.190 139 HZ PHE 22 HZ PHE 22 4.286 0.903 2.342 140 H ILE 23 H ILE 23 6.743 -6.404 2.720 141 HA ILE 23 HA ILE 23 8.054 -8.324 0.941 142 HB ILE 23 HB ILE 23 7.158 -8.654 3.807 143 HG12 ILE 23 1HG1 ILE 23 9.983 -8.460 2.767 144 HG13 ILE 23 2HG1 ILE 23 9.082 -7.049 3.311 145 HG21 ILE 23 1HG2 ILE 23 8.915 -10.623 3.465 146 HG22 ILE 23 2HG2 ILE 23 7.195 -10.822 3.134 147 HG23 ILE 23 3HG2 ILE 23 8.317 -10.509 1.810 148 HD11 ILE 23 3HD1 ILE 23 10.170 -7.556 5.230 149 HD12 ILE 23 1HD1 ILE 23 8.740 -8.563 5.454 150 HD13 ILE 23 2HD1 ILE 23 10.241 -9.281 4.868 151 H ARG 24 H ARG 24 4.979 -7.696 2.544 152 HA ARG 24 HA ARG 24 3.765 -9.801 0.877 153 HB2 ARG 24 1HB ARG 24 2.859 -8.945 3.631 154 HB3 ARG 24 2HB ARG 24 2.141 -10.210 2.644 155 HG2 ARG 24 1HG ARG 24 4.591 -11.188 2.739 156 HG3 ARG 24 2HG ARG 24 4.656 -10.223 4.216 157 HD2 ARG 24 1HD ARG 24 2.992 -11.454 5.248 158 HD3 ARG 24 2HD ARG 24 2.326 -12.025 3.719 159 HE ARG 24 HE ARG 24 4.366 -13.272 5.268 160 HH11 ARG 24 1HH1 ARG 24 3.253 -12.753 2.010 161 HH12 ARG 24 2HH1 ARG 24 3.978 -14.201 1.393 162 HH21 ARG 24 1HH2 ARG 24 5.325 -15.180 4.467 163 HH22 ARG 24 2HH2 ARG 24 5.155 -15.581 2.792 164 H ASN 25 H ASN 25 2.022 -9.248 -0.314 165 HA ASN 25 HA ASN 25 1.474 -6.712 -1.101 166 HB2 ASN 25 1HB ASN 25 0.519 -9.037 -1.893 167 HB3 ASN 25 2HB ASN 25 -0.842 -8.593 -0.867 168 HD21 ASN 25 1HD2 ASN 25 -0.747 -5.809 -1.302 169 HD22 ASN 25 2HD2 ASN 25 -1.245 -5.509 -2.929 170 H SER 26 H SER 26 -0.410 -8.473 1.364 171 HA SER 26 HA SER 26 -2.222 -6.595 2.104 172 HB2 SER 26 1HB SER 26 -0.684 -8.585 3.755 173 HB3 SER 26 2HB SER 26 -1.872 -7.519 4.504 174 HG SER 26 HG SER 26 -3.175 -8.413 2.530 175 H GLN 27 H GLN 27 1.196 -6.642 2.923 176 HA GLN 27 HA GLN 27 1.139 -4.554 4.826 177 HB2 GLN 27 1HB GLN 27 3.424 -5.379 3.027 178 HB3 GLN 27 2HB GLN 27 3.553 -4.441 4.510 179 HG2 GLN 27 1HG GLN 27 2.279 -7.117 4.657 180 HG3 GLN 27 2HG GLN 27 4.027 -7.033 4.449 181 HE21 GLN 27 1HE2 GLN 27 4.775 -7.602 6.388 182 HE22 GLN 27 2HE2 GLN 27 4.378 -6.819 7.876 183 H LEU 28 H LEU 28 1.760 -4.578 1.334 184 HA LEU 28 HA LEU 28 2.321 -1.828 1.087 185 HB2 LEU 28 1HB LEU 28 2.998 -3.096 -0.723 186 HB3 LEU 28 2HB LEU 28 1.478 -3.985 -0.798 187 HG LEU 28 HG LEU 28 0.382 -1.964 -1.707 188 HD11 LEU 28 1HD1 LEU 28 1.877 -0.160 -2.572 189 HD12 LEU 28 2HD1 LEU 28 3.182 -0.859 -1.613 190 HD13 LEU 28 3HD1 LEU 28 1.744 -0.222 -0.815 191 HD21 LEU 28 3HD2 LEU 28 0.828 -3.142 -3.552 192 HD22 LEU 28 1HD2 LEU 28 2.459 -3.540 -3.011 193 HD23 LEU 28 2HD2 LEU 28 2.147 -1.999 -3.809 194 H ILE 29 H ILE 29 -0.670 -3.623 0.340 195 HA ILE 29 HA ILE 29 -2.335 -1.624 -0.418 196 HB ILE 29 HB ILE 29 -3.048 -3.870 1.471 197 HG12 ILE 29 1HG1 ILE 29 -3.475 -3.754 -1.512 198 HG13 ILE 29 2HG1 ILE 29 -2.007 -4.418 -0.802 199 HG21 ILE 29 1HG2 ILE 29 -5.331 -3.542 0.830 200 HG22 ILE 29 2HG2 ILE 29 -4.695 -2.003 1.407 201 HG23 ILE 29 3HG2 ILE 29 -4.879 -2.288 -0.324 202 HD11 ILE 29 3HD1 ILE 29 -4.042 -5.695 0.561 203 HD12 ILE 29 1HD1 ILE 29 -4.622 -5.606 -1.102 204 HD13 ILE 29 2HD1 ILE 29 -3.068 -6.361 -0.750 205 H VAL 30 H VAL 30 -1.656 -2.536 2.954 206 HA VAL 30 HA VAL 30 -3.293 -0.676 4.215 207 HB VAL 30 HB VAL 30 -0.617 -1.699 5.176 208 HG11 VAL 30 1HG1 VAL 30 -1.970 0.353 6.260 209 HG12 VAL 30 2HG1 VAL 30 -2.761 -0.996 7.079 210 HG13 VAL 30 3HG1 VAL 30 -1.014 -0.788 7.205 211 HG21 VAL 30 3HG2 VAL 30 -2.567 -3.323 4.529 212 HG22 VAL 30 1HG2 VAL 30 -1.666 -3.562 6.026 213 HG23 VAL 30 2HG2 VAL 30 -3.250 -2.788 6.064 214 H HIS 31 H HIS 31 -0.021 -0.329 2.951 215 HA HIS 31 HA HIS 31 0.384 2.295 4.005 216 HB2 HIS 31 1HB HIS 31 2.326 0.982 3.523 217 HB3 HIS 31 2HB HIS 31 1.807 0.712 1.862 218 HD1 HIS 31 HD1 HIS 31 3.041 3.510 4.096 219 HD2 HIS 31 HD2 HIS 31 2.712 2.559 0.065 220 HE1 HIS 31 HE1 HIS 31 4.272 5.330 2.873 221 H GLN 32 H GLN 32 -1.233 1.019 1.258 222 HA GLN 32 HA GLN 32 -1.091 3.426 -0.318 223 HB2 GLN 32 1HB GLN 32 -2.692 0.884 -0.585 224 HB3 GLN 32 2HB GLN 32 -2.846 2.230 -1.706 225 HG2 GLN 32 1HG GLN 32 -0.314 2.007 -2.018 226 HG3 GLN 32 2HG GLN 32 -0.496 0.435 -1.241 227 HE21 GLN 32 1HE2 GLN 32 0.007 1.608 -4.093 228 HE22 GLN 32 2HE2 GLN 32 -0.973 0.592 -5.088 229 H ARG 33 H ARG 33 -3.007 2.284 2.261 230 HA ARG 33 HA ARG 33 -5.462 3.537 1.711 231 HB2 ARG 33 1HB ARG 33 -4.174 2.940 4.381 232 HB3 ARG 33 2HB ARG 33 -5.863 3.367 4.144 233 HG2 ARG 33 1HG ARG 33 -6.036 1.333 2.656 234 HG3 ARG 33 2HG ARG 33 -4.443 0.875 3.260 235 HD2 ARG 33 1HD ARG 33 -5.824 -0.256 4.714 236 HD3 ARG 33 2HD ARG 33 -5.538 1.242 5.598 237 HE ARG 33 HE ARG 33 -8.020 0.403 4.332 238 HH11 ARG 33 1HH1 ARG 33 -6.218 2.903 5.950 239 HH12 ARG 33 2HH1 ARG 33 -7.625 3.814 6.391 240 HH21 ARG 33 1HH2 ARG 33 -9.880 1.593 4.906 241 HH22 ARG 33 2HH2 ARG 33 -9.707 3.067 5.797 242 H THR 34 H THR 34 -2.473 4.724 3.108 243 HA THR 34 HA THR 34 -3.555 7.211 4.014 244 HB THR 34 HB THR 34 -1.479 6.192 4.955 245 HG1 THR 34 HG1 THR 34 -0.270 8.373 4.614 246 HG21 THR 34 3HG2 THR 34 -0.693 5.881 2.371 247 HG22 THR 34 1HG2 THR 34 0.398 5.839 3.755 248 HG23 THR 34 2HG2 THR 34 0.205 7.328 2.829 249 H HIS 35 H HIS 35 -2.080 6.066 1.052 250 HA HIS 35 HA HIS 35 -1.645 8.640 -0.094 251 HB2 HIS 35 1HB HIS 35 -1.545 5.823 -1.047 252 HB3 HIS 35 2HB HIS 35 -1.723 7.082 -2.266 253 HD1 HIS 35 HD1 HIS 35 0.188 9.089 -1.959 254 HD2 HIS 35 HD2 HIS 35 1.035 5.315 -0.441 255 HE1 HIS 35 HE1 HIS 35 2.688 9.017 -1.692 256 H SER 36 H SER 36 -4.299 6.346 -0.099 257 HA SER 36 HA SER 36 -5.808 7.474 -2.188 258 HB2 SER 36 1HB SER 36 -6.375 5.651 0.099 259 HB3 SER 36 2HB SER 36 -7.752 6.413 -0.696 260 HG SER 36 HG SER 36 -7.361 5.307 -2.482 261 H GLY 37 H GLY 37 -8.138 8.342 -1.631 262 HA2 GLY 37 1HA GLY 37 -9.365 9.748 -0.027 263 HA3 GLY 37 2HA GLY 37 -7.825 10.498 0.366 264 H GLU 38 H GLU 38 -8.486 12.577 -0.136 265 HA GLU 38 HA GLU 38 -9.722 13.240 -2.619 266 HB2 GLU 38 1HB GLU 38 -9.939 14.583 -0.521 267 HB3 GLU 38 2HB GLU 38 -8.263 15.077 -0.715 268 HG2 GLU 38 1HG GLU 38 -9.997 16.713 -1.505 269 HG3 GLU 38 2HG GLU 38 -8.740 16.298 -2.669 270 H SER 39 H SER 39 -6.479 13.987 -1.330 271 HA SER 39 HA SER 39 -5.499 14.031 -4.111 272 HB2 SER 39 1HB SER 39 -3.936 15.769 -3.514 273 HB3 SER 39 2HB SER 39 -5.544 16.280 -3.000 274 HG SER 39 HG SER 39 -4.713 15.097 -0.928 275 H GLY 40 H GLY 40 -3.972 12.592 -4.580 276 HA2 GLY 40 1HA GLY 40 -1.988 11.806 -2.632 277 HA3 GLY 40 2HA GLY 40 -3.128 10.533 -3.039 278 HA PRO 41 HA PRO 41 -0.945 9.486 -6.689 279 HB2 PRO 41 1HB PRO 41 -2.838 9.350 -8.631 280 HB3 PRO 41 2HB PRO 41 -2.709 8.161 -7.330 281 HG2 PRO 41 1HG PRO 41 -4.552 10.507 -7.577 282 HG3 PRO 41 2HG PRO 41 -4.906 8.859 -7.026 283 HD2 PRO 41 1HD PRO 41 -4.529 10.920 -5.310 284 HD3 PRO 41 2HD PRO 41 -4.070 9.251 -4.914 285 H SER 42 H SER 42 0.367 11.317 -6.986 286 HA SER 42 HA SER 42 -0.658 13.425 -8.746 287 HB2 SER 42 1HB SER 42 1.810 13.263 -7.008 288 HB3 SER 42 2HB SER 42 1.498 14.590 -8.126 289 HG SER 42 HG SER 42 0.789 14.877 -5.871 290 H SER 43 H SER 43 -0.624 12.150 -10.660 291 HA SER 43 HA SER 43 2.088 11.666 -11.709 292 HB2 SER 43 1HB SER 43 0.609 9.620 -11.329 293 HB3 SER 43 2HB SER 43 -0.395 10.227 -12.645 294 HG SER 43 HG SER 43 1.010 9.450 -13.984 295 H GLY 44 H GLY 44 2.219 11.796 -14.122 296 HA2 GLY 44 1HA GLY 44 0.238 13.241 -15.577 297 HA3 GLY 44 2HA GLY 44 1.536 14.305 -15.054 Start of MODEL 16 1 H1 GLY 1 H GLY 1 26.885 20.716 5.234 2 HA2 GLY 1 1HA GLY 1 25.764 19.101 6.919 3 HA3 GLY 1 2HA GLY 1 24.310 19.540 6.034 4 H SER 2 H SER 2 24.904 16.935 6.141 5 HA SER 2 HA SER 2 26.241 16.294 3.603 6 HB2 SER 2 1HB SER 2 25.838 14.806 6.159 7 HB3 SER 2 2HB SER 2 25.936 13.875 4.664 8 HG SER 2 HG SER 2 28.003 14.074 5.377 9 H SER 3 H SER 3 25.261 14.225 2.566 10 HA SER 3 HA SER 3 22.387 14.006 2.795 11 HB2 SER 3 1HB SER 3 23.716 15.347 0.463 12 HB3 SER 3 2HB SER 3 22.237 14.420 0.214 13 HG SER 3 HG SER 3 21.339 16.246 0.779 14 H GLY 4 H GLY 4 22.207 11.864 2.906 15 HA2 GLY 4 1HA GLY 4 23.878 10.215 1.126 16 HA3 GLY 4 2HA GLY 4 23.143 9.662 2.623 17 H SER 5 H SER 5 22.959 8.380 0.074 18 HA SER 5 HA SER 5 20.046 8.351 -0.181 19 HB2 SER 5 1HB SER 5 21.969 8.702 -2.488 20 HB3 SER 5 2HB SER 5 20.285 8.217 -2.689 21 HG SER 5 HG SER 5 20.022 10.265 -1.250 22 H SER 6 H SER 6 19.410 6.461 -1.709 23 HA SER 6 HA SER 6 21.257 4.230 -1.681 24 HB2 SER 6 1HB SER 6 18.867 4.384 0.127 25 HB3 SER 6 2HB SER 6 19.388 2.824 -0.508 26 HG SER 6 HG SER 6 21.574 3.712 0.315 27 H GLY 7 H GLY 7 20.380 2.328 -2.798 28 HA2 GLY 7 1HA GLY 7 17.932 2.671 -4.309 29 HA3 GLY 7 2HA GLY 7 19.401 2.760 -5.269 30 H THR 8 H THR 8 18.654 0.695 -2.485 31 HA THR 8 HA THR 8 19.111 -1.640 -4.225 32 HB THR 8 HB THR 8 19.591 -1.415 -1.247 33 HG1 THR 8 HG1 THR 8 21.119 -0.337 -2.719 34 HG21 THR 8 3HG2 THR 8 20.708 -3.659 -2.798 35 HG22 THR 8 1HG2 THR 8 18.960 -3.684 -2.576 36 HG23 THR 8 2HG2 THR 8 20.026 -3.633 -1.173 37 H ARG 9 H ARG 9 16.964 -1.957 -4.815 38 HA ARG 9 HA ARG 9 15.012 -2.392 -2.679 39 HB2 ARG 9 1HB ARG 9 14.612 -2.308 -5.675 40 HB3 ARG 9 2HB ARG 9 13.339 -2.407 -4.466 41 HG2 ARG 9 1HG ARG 9 13.712 -0.214 -3.730 42 HG3 ARG 9 2HG ARG 9 15.280 -0.123 -4.535 43 HD2 ARG 9 1HD ARG 9 14.343 0.184 -6.618 44 HD3 ARG 9 2HD ARG 9 12.826 -0.591 -6.164 45 HE ARG 9 HE ARG 9 12.914 1.659 -4.632 46 HH11 ARG 9 1HH1 ARG 9 13.143 1.011 -8.044 47 HH12 ARG 9 2HH1 ARG 9 12.449 2.528 -8.512 48 HH21 ARG 9 1HH2 ARG 9 11.998 3.659 -5.234 49 HH22 ARG 9 2HH2 ARG 9 11.798 4.034 -6.913 50 H GLU 10 H GLU 10 14.106 -4.343 -2.240 51 HA GLU 10 HA GLU 10 14.914 -6.631 -3.902 52 HB2 GLU 10 1HB GLU 10 16.339 -6.588 -1.914 53 HB3 GLU 10 2HB GLU 10 14.918 -6.524 -0.881 54 HG2 GLU 10 1HG GLU 10 14.281 -8.730 -1.472 55 HG3 GLU 10 2HG GLU 10 15.475 -8.795 -2.766 56 H LYS 11 H LYS 11 12.665 -5.365 -1.487 57 HA LYS 11 HA LYS 11 10.820 -7.419 -1.393 58 HB2 LYS 11 1HB LYS 11 10.691 -4.476 -0.991 59 HB3 LYS 11 2HB LYS 11 9.164 -5.330 -1.167 60 HG2 LYS 11 1HG LYS 11 9.408 -5.430 1.091 61 HG3 LYS 11 2HG LYS 11 10.236 -6.922 0.638 62 HD2 LYS 11 1HD LYS 11 12.386 -5.771 0.743 63 HD3 LYS 11 2HD LYS 11 11.568 -4.264 1.162 64 HE2 LYS 11 1HE LYS 11 11.037 -4.988 3.284 65 HE3 LYS 11 2HE LYS 11 11.103 -6.691 2.834 66 HZ1 LYS 11 3HZ LYS 11 13.038 -6.517 3.981 67 HZ2 LYS 11 1HZ LYS 11 13.271 -4.885 3.598 68 HZ3 LYS 11 2HZ LYS 11 13.619 -6.081 2.453 69 HA PRO 12 HA PRO 12 9.167 -7.602 -5.485 70 HB2 PRO 12 1HB PRO 12 6.952 -9.067 -4.921 71 HB3 PRO 12 2HB PRO 12 8.576 -9.763 -4.976 72 HG2 PRO 12 1HG PRO 12 6.964 -8.903 -2.605 73 HG3 PRO 12 2HG PRO 12 7.952 -10.359 -2.816 74 HD2 PRO 12 1HD PRO 12 8.824 -8.194 -1.444 75 HD3 PRO 12 2HD PRO 12 9.918 -9.242 -2.368 76 H TYR 13 H TYR 13 7.062 -6.712 -2.773 77 HA TYR 13 HA TYR 13 5.184 -5.379 -4.534 78 HB2 TYR 13 1HB TYR 13 5.280 -5.538 -1.514 79 HB3 TYR 13 2HB TYR 13 3.958 -4.860 -2.457 80 HD1 TYR 13 HD2 TYR 13 2.506 -6.329 -3.794 81 HD2 TYR 13 HD1 TYR 13 5.564 -7.914 -1.298 82 HE1 TYR 13 HE2 TYR 13 1.460 -8.551 -3.935 83 HE2 TYR 13 HE1 TYR 13 4.528 -10.141 -1.432 84 HH TYR 13 HH TYR 13 2.947 -11.381 -2.402 85 H GLU 14 H GLU 14 5.089 -3.253 -4.947 86 HA GLU 14 HA GLU 14 6.730 -1.426 -3.337 87 HB2 GLU 14 1HB GLU 14 6.947 -1.996 -6.236 88 HB3 GLU 14 2HB GLU 14 7.022 -0.302 -5.770 89 HG2 GLU 14 1HG GLU 14 9.019 -0.530 -4.718 90 HG3 GLU 14 2HG GLU 14 8.713 -2.204 -4.258 91 H CYS 15 H CYS 15 5.953 0.666 -3.149 92 HA CYS 15 HA CYS 15 3.132 0.971 -3.494 93 HB2 CYS 15 1HB CYS 15 4.483 1.929 -1.592 94 HB3 CYS 15 2HB CYS 15 5.125 3.109 -2.730 95 H SER 16 H SER 16 2.048 1.857 -5.129 96 HA SER 16 HA SER 16 3.512 2.827 -7.428 97 HB2 SER 16 1HB SER 16 1.599 1.322 -7.750 98 HB3 SER 16 2HB SER 16 0.533 2.501 -6.987 99 HG SER 16 HG SER 16 2.032 2.924 -9.362 100 H GLU 17 H GLU 17 2.961 4.305 -4.711 101 HA GLU 17 HA GLU 17 2.001 6.819 -5.904 102 HB2 GLU 17 1HB GLU 17 2.188 6.184 -2.960 103 HB3 GLU 17 2HB GLU 17 1.347 7.530 -3.715 104 HG2 GLU 17 1HG GLU 17 0.531 4.763 -4.427 105 HG3 GLU 17 2HG GLU 17 0.055 5.414 -2.860 106 H CYS 18 H CYS 18 4.450 5.462 -3.727 107 HA CYS 18 HA CYS 18 6.127 7.822 -4.282 108 HB2 CYS 18 1HB CYS 18 7.194 7.448 -2.094 109 HB3 CYS 18 2HB CYS 18 5.467 7.744 -1.931 110 H GLY 19 H GLY 19 6.017 4.327 -3.885 111 HA2 GLY 19 1HA GLY 19 7.351 3.023 -5.477 112 HA3 GLY 19 2HA GLY 19 8.645 4.186 -5.229 113 H LYS 20 H LYS 20 6.989 3.450 -2.374 114 HA LYS 20 HA LYS 20 9.196 2.433 -1.040 115 HB2 LYS 20 1HB LYS 20 6.726 3.217 -0.279 116 HB3 LYS 20 2HB LYS 20 6.550 1.474 -0.119 117 HG2 LYS 20 1HG LYS 20 8.875 1.769 1.151 118 HG3 LYS 20 2HG LYS 20 8.192 3.370 1.444 119 HD2 LYS 20 1HD LYS 20 6.126 2.252 2.290 120 HD3 LYS 20 2HD LYS 20 6.965 0.705 2.146 121 HE2 LYS 20 1HE LYS 20 7.363 2.920 4.082 122 HE3 LYS 20 2HE LYS 20 7.406 1.175 4.335 123 HZ1 LYS 20 3HZ LYS 20 9.531 2.960 3.363 124 HZ2 LYS 20 1HZ LYS 20 9.540 1.332 2.901 125 HZ3 LYS 20 2HZ LYS 20 9.605 1.747 4.540 126 H ALA 21 H ALA 21 8.734 0.149 0.232 127 HA ALA 21 HA ALA 21 8.181 -1.910 -1.780 128 HB1 ALA 21 3HB ALA 21 10.256 -2.734 -1.857 129 HB2 ALA 21 1HB ALA 21 10.756 -1.185 -1.179 130 HB3 ALA 21 2HB ALA 21 10.484 -2.566 -0.116 131 H PHE 22 H PHE 22 7.659 -3.972 -0.917 132 HA PHE 22 HA PHE 22 7.379 -4.229 1.964 133 HB2 PHE 22 1HB PHE 22 4.965 -4.501 0.164 134 HB3 PHE 22 2HB PHE 22 5.004 -4.681 1.915 135 HD1 PHE 22 HD1 PHE 22 5.591 -2.213 -0.797 136 HD2 PHE 22 HD2 PHE 22 4.593 -2.857 3.290 137 HE1 PHE 22 HE1 PHE 22 5.087 0.182 -0.546 138 HE2 PHE 22 HE2 PHE 22 4.086 -0.464 3.547 139 HZ PHE 22 HZ PHE 22 4.332 1.059 1.628 140 H ILE 23 H ILE 23 6.935 -6.391 2.652 141 HA ILE 23 HA ILE 23 8.091 -8.359 0.902 142 HB ILE 23 HB ILE 23 6.936 -8.630 3.679 143 HG12 ILE 23 1HG1 ILE 23 9.838 -8.770 2.895 144 HG13 ILE 23 2HG1 ILE 23 9.062 -7.227 3.237 145 HG21 ILE 23 1HG2 ILE 23 8.751 -10.708 3.117 146 HG22 ILE 23 2HG2 ILE 23 7.016 -10.829 3.403 147 HG23 ILE 23 3HG2 ILE 23 7.626 -10.631 1.761 148 HD11 ILE 23 3HD1 ILE 23 9.340 -9.555 5.121 149 HD12 ILE 23 1HD1 ILE 23 10.207 -8.022 5.194 150 HD13 ILE 23 2HD1 ILE 23 8.467 -8.065 5.475 151 H ARG 24 H ARG 24 4.898 -7.743 2.298 152 HA ARG 24 HA ARG 24 3.775 -9.644 0.351 153 HB2 ARG 24 1HB ARG 24 2.805 -9.212 3.183 154 HB3 ARG 24 2HB ARG 24 2.073 -10.281 1.995 155 HG2 ARG 24 1HG ARG 24 4.914 -10.606 2.904 156 HG3 ARG 24 2HG ARG 24 3.555 -11.348 3.750 157 HD2 ARG 24 1HD ARG 24 2.989 -12.676 1.890 158 HD3 ARG 24 2HD ARG 24 3.999 -11.724 0.803 159 HE ARG 24 HE ARG 24 5.494 -12.990 2.891 160 HH11 ARG 24 1HH1 ARG 24 4.058 -13.449 -0.246 161 HH12 ARG 24 2HH1 ARG 24 5.136 -14.729 -0.697 162 HH21 ARG 24 1HH2 ARG 24 6.920 -14.674 2.310 163 HH22 ARG 24 2HH2 ARG 24 6.763 -15.425 0.758 164 H ASN 25 H ASN 25 1.788 -9.095 -0.561 165 HA ASN 25 HA ASN 25 1.307 -6.460 -1.162 166 HB2 ASN 25 1HB ASN 25 0.276 -8.726 -2.080 167 HB3 ASN 25 2HB ASN 25 -1.047 -8.290 -1.003 168 HD21 ASN 25 1HD2 ASN 25 -0.596 -5.431 -1.351 169 HD22 ASN 25 2HD2 ASN 25 -1.206 -5.039 -2.919 170 H SER 26 H SER 26 -0.506 -8.408 1.214 171 HA SER 26 HA SER 26 -2.285 -6.641 2.195 172 HB2 SER 26 1HB SER 26 -2.063 -8.900 3.095 173 HB3 SER 26 2HB SER 26 -0.533 -8.468 3.859 174 HG SER 26 HG SER 26 -1.914 -8.144 5.467 175 H GLN 27 H GLN 27 1.175 -6.629 2.843 176 HA GLN 27 HA GLN 27 1.127 -4.601 4.822 177 HB2 GLN 27 1HB GLN 27 3.422 -5.261 2.976 178 HB3 GLN 27 2HB GLN 27 3.512 -4.510 4.564 179 HG2 GLN 27 1HG GLN 27 2.328 -6.773 5.278 180 HG3 GLN 27 2HG GLN 27 3.137 -7.351 3.822 181 HE21 GLN 27 1HE2 GLN 27 3.497 -7.615 6.875 182 HE22 GLN 27 2HE2 GLN 27 5.198 -7.401 7.086 183 H LEU 28 H LEU 28 2.006 -4.489 1.368 184 HA LEU 28 HA LEU 28 2.445 -1.759 1.164 185 HB2 LEU 28 1HB LEU 28 3.086 -3.047 -0.668 186 HB3 LEU 28 2HB LEU 28 1.511 -3.829 -0.786 187 HG LEU 28 HG LEU 28 0.541 -1.811 -1.708 188 HD11 LEU 28 1HD1 LEU 28 1.862 0.156 -2.184 189 HD12 LEU 28 2HD1 LEU 28 3.294 -0.603 -1.488 190 HD13 LEU 28 3HD1 LEU 28 1.921 -0.200 -0.457 191 HD21 LEU 28 3HD2 LEU 28 3.104 -2.669 -3.042 192 HD22 LEU 28 1HD2 LEU 28 1.865 -1.678 -3.814 193 HD23 LEU 28 2HD2 LEU 28 1.487 -3.324 -3.305 194 H ILE 29 H ILE 29 -0.565 -3.509 0.386 195 HA ILE 29 HA ILE 29 -2.228 -1.490 -0.299 196 HB ILE 29 HB ILE 29 -2.913 -3.777 1.551 197 HG12 ILE 29 1HG1 ILE 29 -3.469 -3.569 -1.403 198 HG13 ILE 29 2HG1 ILE 29 -1.955 -4.229 -0.793 199 HG21 ILE 29 1HG2 ILE 29 -4.828 -2.641 1.831 200 HG22 ILE 29 2HG2 ILE 29 -4.522 -1.588 0.452 201 HG23 ILE 29 3HG2 ILE 29 -5.199 -3.196 0.199 202 HD11 ILE 29 3HD1 ILE 29 -3.101 -6.159 -0.968 203 HD12 ILE 29 1HD1 ILE 29 -3.665 -5.695 0.637 204 HD13 ILE 29 2HD1 ILE 29 -4.669 -5.376 -0.778 205 H VAL 30 H VAL 30 -1.656 -2.519 3.067 206 HA VAL 30 HA VAL 30 -3.213 -0.641 4.362 207 HB VAL 30 HB VAL 30 -0.548 -1.711 5.303 208 HG11 VAL 30 1HG1 VAL 30 -1.020 -0.952 7.411 209 HG12 VAL 30 2HG1 VAL 30 -1.762 0.328 6.449 210 HG13 VAL 30 3HG1 VAL 30 -2.762 -0.951 7.140 211 HG21 VAL 30 3HG2 VAL 30 -2.794 -2.964 6.533 212 HG22 VAL 30 1HG2 VAL 30 -2.980 -3.054 4.781 213 HG23 VAL 30 2HG2 VAL 30 -1.525 -3.691 5.547 214 H HIS 31 H HIS 31 0.018 -0.300 3.021 215 HA HIS 31 HA HIS 31 0.458 2.305 4.146 216 HB2 HIS 31 1HB HIS 31 2.377 0.922 3.666 217 HB3 HIS 31 2HB HIS 31 1.901 0.770 1.977 218 HD1 HIS 31 HD1 HIS 31 3.224 3.328 4.421 219 HD2 HIS 31 HD2 HIS 31 2.812 2.764 0.326 220 HE1 HIS 31 HE1 HIS 31 4.511 5.205 3.351 221 H GLN 32 H GLN 32 -1.172 1.070 1.403 222 HA GLN 32 HA GLN 32 -0.985 3.507 -0.144 223 HB2 GLN 32 1HB GLN 32 -2.558 0.960 -0.530 224 HB3 GLN 32 2HB GLN 32 -2.635 2.323 -1.639 225 HG2 GLN 32 1HG GLN 32 -0.135 2.098 -1.890 226 HG3 GLN 32 2HG GLN 32 -0.278 0.568 -1.026 227 HE21 GLN 32 1HE2 GLN 32 -0.117 1.917 -4.001 228 HE22 GLN 32 2HE2 GLN 32 -0.887 0.681 -4.930 229 H ARG 33 H ARG 33 -3.067 2.139 2.239 230 HA ARG 33 HA ARG 33 -5.516 3.270 1.727 231 HB2 ARG 33 1HB ARG 33 -4.100 2.894 4.367 232 HB3 ARG 33 2HB ARG 33 -5.789 3.366 4.233 233 HG2 ARG 33 1HG ARG 33 -6.054 1.241 2.812 234 HG3 ARG 33 2HG ARG 33 -4.499 0.768 3.500 235 HD2 ARG 33 1HD ARG 33 -6.843 1.619 5.184 236 HD3 ARG 33 2HD ARG 33 -6.565 -0.057 4.711 237 HE ARG 33 HE ARG 33 -4.211 0.650 5.821 238 HH11 ARG 33 1HH1 ARG 33 -7.512 0.907 6.894 239 HH12 ARG 33 2HH1 ARG 33 -7.115 0.763 8.574 240 HH21 ARG 33 1HH2 ARG 33 -3.674 0.459 8.030 241 HH22 ARG 33 2HH2 ARG 33 -4.931 0.509 9.219 242 H THR 34 H THR 34 -2.694 4.791 3.222 243 HA THR 34 HA THR 34 -4.005 7.272 3.749 244 HB THR 34 HB THR 34 -2.034 6.593 5.036 245 HG1 THR 34 HG1 THR 34 -2.553 8.893 4.536 246 HG21 THR 34 3HG2 THR 34 0.202 6.688 4.025 247 HG22 THR 34 1HG2 THR 34 -0.526 6.986 2.447 248 HG23 THR 34 2HG2 THR 34 -0.796 5.448 3.267 249 H HIS 35 H HIS 35 -1.948 6.049 1.151 250 HA HIS 35 HA HIS 35 -1.617 8.491 -0.218 251 HB2 HIS 35 1HB HIS 35 -1.288 5.610 -0.897 252 HB3 HIS 35 2HB HIS 35 -1.369 6.758 -2.229 253 HD1 HIS 35 HD1 HIS 35 0.413 8.875 -1.870 254 HD2 HIS 35 HD2 HIS 35 1.221 5.275 0.038 255 HE1 HIS 35 HE1 HIS 35 2.864 8.945 -1.314 256 H SER 36 H SER 36 -4.141 6.058 -0.274 257 HA SER 36 HA SER 36 -5.507 6.537 -2.564 258 HB2 SER 36 1HB SER 36 -6.122 5.024 -0.552 259 HB3 SER 36 2HB SER 36 -7.018 6.424 0.036 260 HG SER 36 HG SER 36 -8.017 4.716 -1.496 261 H GLY 37 H GLY 37 -5.446 8.598 0.297 262 HA2 GLY 37 1HA GLY 37 -7.446 10.412 -0.625 263 HA3 GLY 37 2HA GLY 37 -6.312 10.696 0.687 264 H GLU 38 H GLU 38 -7.165 12.593 -1.293 265 HA GLU 38 HA GLU 38 -4.534 13.365 -2.278 266 HB2 GLU 38 1HB GLU 38 -5.292 13.797 -4.531 267 HB3 GLU 38 2HB GLU 38 -5.601 12.113 -4.134 268 HG2 GLU 38 1HG GLU 38 -7.962 13.015 -3.467 269 HG3 GLU 38 2HG GLU 38 -7.522 14.350 -4.531 270 H SER 39 H SER 39 -4.181 15.489 -2.061 271 HA SER 39 HA SER 39 -6.117 17.122 -0.770 272 HB2 SER 39 1HB SER 39 -4.363 18.946 -1.197 273 HB3 SER 39 2HB SER 39 -3.863 17.571 -0.213 274 HG SER 39 HG SER 39 -3.112 18.280 -2.806 275 H GLY 40 H GLY 40 -5.410 16.459 -4.050 276 HA2 GLY 40 1HA GLY 40 -7.285 17.195 -5.546 277 HA3 GLY 40 2HA GLY 40 -7.010 18.800 -4.885 278 HA PRO 41 HA PRO 41 -4.654 18.566 -8.835 279 HB2 PRO 41 1HB PRO 41 -5.263 21.099 -9.600 280 HB3 PRO 41 2HB PRO 41 -6.317 19.717 -9.925 281 HG2 PRO 41 1HG PRO 41 -6.500 21.769 -7.753 282 HG3 PRO 41 2HG PRO 41 -7.791 21.086 -8.758 283 HD2 PRO 41 1HD PRO 41 -7.323 20.255 -6.224 284 HD3 PRO 41 2HD PRO 41 -7.938 19.169 -7.487 285 H SER 42 H SER 42 -4.811 21.078 -6.354 286 HA SER 42 HA SER 42 -2.452 22.443 -7.017 287 HB2 SER 42 1HB SER 42 -4.047 23.420 -5.480 288 HB3 SER 42 2HB SER 42 -3.822 22.093 -4.340 289 HG SER 42 HG SER 42 -2.626 24.093 -3.899 290 H SER 43 H SER 43 -0.884 20.882 -7.542 291 HA SER 43 HA SER 43 0.199 19.383 -5.248 292 HB2 SER 43 1HB SER 43 -0.564 17.965 -7.128 293 HB3 SER 43 2HB SER 43 0.556 18.806 -8.200 294 HG SER 43 HG SER 43 1.188 16.705 -7.070 295 H GLY 44 H GLY 44 2.122 19.973 -4.486 296 HA2 GLY 44 1HA GLY 44 3.660 21.964 -5.985 297 HA3 GLY 44 2HA GLY 44 3.846 21.582 -4.280 Start of MODEL 17 1 H1 GLY 1 H GLY 1 36.926 4.416 -8.472 2 HA2 GLY 1 1HA GLY 1 36.377 2.293 -6.516 3 HA3 GLY 1 2HA GLY 1 36.585 3.999 -6.148 4 H SER 2 H SER 2 34.814 5.181 -5.823 5 HA SER 2 HA SER 2 32.605 5.640 -5.473 6 HB2 SER 2 1HB SER 2 32.677 4.717 -8.339 7 HB3 SER 2 2HB SER 2 31.184 5.289 -7.595 8 HG SER 2 HG SER 2 32.551 7.197 -6.997 9 H SER 3 H SER 3 33.336 3.199 -4.379 10 HA SER 3 HA SER 3 31.795 0.991 -5.084 11 HB2 SER 3 1HB SER 3 33.662 0.965 -3.434 12 HB3 SER 3 2HB SER 3 32.613 1.789 -2.280 13 HG SER 3 HG SER 3 32.600 -0.848 -3.129 14 H GLY 4 H GLY 4 29.967 0.062 -3.798 15 HA2 GLY 4 1HA GLY 4 28.205 1.048 -2.125 16 HA3 GLY 4 2HA GLY 4 27.915 2.130 -3.479 17 H SER 5 H SER 5 28.606 -1.353 -3.442 18 HA SER 5 HA SER 5 26.296 -1.784 -5.163 19 HB2 SER 5 1HB SER 5 28.460 -3.699 -4.254 20 HB3 SER 5 2HB SER 5 27.204 -4.064 -5.438 21 HG SER 5 HG SER 5 28.194 -1.960 -6.413 22 H SER 6 H SER 6 25.230 -1.057 -2.904 23 HA SER 6 HA SER 6 24.556 -3.516 -1.430 24 HB2 SER 6 1HB SER 6 24.468 -0.613 -0.594 25 HB3 SER 6 2HB SER 6 23.721 -1.906 0.345 26 HG SER 6 HG SER 6 25.811 -2.887 0.450 27 H GLY 7 H GLY 7 22.664 -4.383 -1.937 28 HA2 GLY 7 1HA GLY 7 20.654 -2.800 -3.319 29 HA3 GLY 7 2HA GLY 7 20.619 -4.538 -3.062 30 H THR 8 H THR 8 19.321 -1.597 -2.133 31 HA THR 8 HA THR 8 18.348 -2.682 0.424 32 HB THR 8 HB THR 8 19.468 -0.518 0.634 33 HG1 THR 8 HG1 THR 8 18.013 -0.079 2.096 34 HG21 THR 8 3HG2 THR 8 17.413 0.368 -1.384 35 HG22 THR 8 1HG2 THR 8 19.169 0.468 -1.508 36 HG23 THR 8 2HG2 THR 8 18.306 1.495 -0.363 37 H ARG 9 H ARG 9 16.105 -2.354 0.976 38 HA ARG 9 HA ARG 9 13.897 -2.719 0.532 39 HB2 ARG 9 1HB ARG 9 14.565 -0.498 -1.396 40 HB3 ARG 9 2HB ARG 9 12.925 -1.089 -1.166 41 HG2 ARG 9 1HG ARG 9 13.227 -0.574 1.292 42 HG3 ARG 9 2HG ARG 9 14.697 0.286 0.828 43 HD2 ARG 9 1HD ARG 9 13.082 1.445 -0.892 44 HD3 ARG 9 2HD ARG 9 11.845 0.941 0.260 45 HE ARG 9 HE ARG 9 13.727 2.164 1.799 46 HH11 ARG 9 1HH1 ARG 9 11.895 3.090 -1.012 47 HH12 ARG 9 2HH1 ARG 9 11.869 4.773 -0.603 48 HH21 ARG 9 1HH2 ARG 9 13.700 4.378 2.350 49 HH22 ARG 9 2HH2 ARG 9 12.897 5.505 1.310 50 H GLU 10 H GLU 10 15.431 -4.657 -0.616 51 HA GLU 10 HA GLU 10 14.723 -4.972 -3.399 52 HB2 GLU 10 1HB GLU 10 16.242 -6.640 -1.414 53 HB3 GLU 10 2HB GLU 10 15.767 -7.303 -2.971 54 HG2 GLU 10 1HG GLU 10 16.912 -5.157 -3.912 55 HG3 GLU 10 2HG GLU 10 17.724 -5.147 -2.348 56 H LYS 11 H LYS 11 12.425 -4.665 -1.964 57 HA LYS 11 HA LYS 11 11.314 -7.320 -1.484 58 HB2 LYS 11 1HB LYS 11 10.397 -4.520 -0.931 59 HB3 LYS 11 2HB LYS 11 9.228 -5.833 -0.949 60 HG2 LYS 11 1HG LYS 11 9.755 -5.837 1.257 61 HG3 LYS 11 2HG LYS 11 10.996 -6.947 0.672 62 HD2 LYS 11 1HD LYS 11 12.503 -4.922 0.445 63 HD3 LYS 11 2HD LYS 11 11.283 -4.029 1.355 64 HE2 LYS 11 1HE LYS 11 12.880 -4.745 2.938 65 HE3 LYS 11 2HE LYS 11 11.492 -5.814 3.133 66 HZ1 LYS 11 3HZ LYS 11 13.260 -6.907 1.232 67 HZ2 LYS 11 1HZ LYS 11 12.780 -7.548 2.722 68 HZ3 LYS 11 2HZ LYS 11 14.128 -6.530 2.635 69 HA PRO 12 HA PRO 12 9.292 -7.687 -5.365 70 HB2 PRO 12 1HB PRO 12 7.059 -9.056 -4.653 71 HB3 PRO 12 2HB PRO 12 8.664 -9.794 -4.699 72 HG2 PRO 12 1HG PRO 12 7.131 -8.738 -2.354 73 HG3 PRO 12 2HG PRO 12 8.081 -10.230 -2.490 74 HD2 PRO 12 1HD PRO 12 9.035 -7.999 -1.286 75 HD3 PRO 12 2HD PRO 12 10.082 -9.134 -2.163 76 H TYR 13 H TYR 13 7.018 -6.843 -2.745 77 HA TYR 13 HA TYR 13 5.248 -5.475 -4.544 78 HB2 TYR 13 1HB TYR 13 5.322 -5.552 -1.521 79 HB3 TYR 13 2HB TYR 13 4.022 -4.854 -2.481 80 HD1 TYR 13 HD2 TYR 13 2.563 -6.318 -3.840 81 HD2 TYR 13 HD1 TYR 13 5.509 -7.918 -1.218 82 HE1 TYR 13 HE2 TYR 13 1.457 -8.512 -3.944 83 HE2 TYR 13 HE1 TYR 13 4.411 -10.116 -1.317 84 HH TYR 13 HH TYR 13 1.814 -10.854 -1.858 85 H GLU 14 H GLU 14 4.936 -3.288 -4.790 86 HA GLU 14 HA GLU 14 6.664 -1.448 -3.321 87 HB2 GLU 14 1HB GLU 14 6.869 -2.076 -6.208 88 HB3 GLU 14 2HB GLU 14 6.933 -0.372 -5.780 89 HG2 GLU 14 1HG GLU 14 8.938 -0.561 -4.739 90 HG3 GLU 14 2HG GLU 14 8.646 -2.223 -4.232 91 H CYS 15 H CYS 15 5.885 0.653 -3.190 92 HA CYS 15 HA CYS 15 3.054 0.930 -3.543 93 HB2 CYS 15 1HB CYS 15 4.369 1.899 -1.626 94 HB3 CYS 15 2HB CYS 15 5.034 3.073 -2.757 95 H SER 16 H SER 16 1.988 1.792 -5.201 96 HA SER 16 HA SER 16 3.466 2.755 -7.488 97 HB2 SER 16 1HB SER 16 0.600 2.068 -6.943 98 HB3 SER 16 2HB SER 16 1.002 3.044 -8.356 99 HG SER 16 HG SER 16 2.627 0.873 -8.085 100 H GLU 17 H GLU 17 2.953 4.259 -4.792 101 HA GLU 17 HA GLU 17 2.018 6.775 -6.005 102 HB2 GLU 17 1HB GLU 17 2.165 6.210 -3.049 103 HB3 GLU 17 2HB GLU 17 1.284 7.492 -3.866 104 HG2 GLU 17 1HG GLU 17 0.594 4.649 -4.429 105 HG3 GLU 17 2HG GLU 17 0.030 5.409 -2.941 106 H CYS 18 H CYS 18 4.367 5.453 -3.685 107 HA CYS 18 HA CYS 18 6.081 7.790 -4.214 108 HB2 CYS 18 1HB CYS 18 7.147 7.298 -2.032 109 HB3 CYS 18 2HB CYS 18 5.431 7.661 -1.878 110 H GLY 19 H GLY 19 6.004 4.279 -3.867 111 HA2 GLY 19 1HA GLY 19 7.327 3.005 -5.492 112 HA3 GLY 19 2HA GLY 19 8.608 4.185 -5.259 113 H LYS 20 H LYS 20 6.994 3.382 -2.390 114 HA LYS 20 HA LYS 20 9.258 2.373 -1.117 115 HB2 LYS 20 1HB LYS 20 6.831 3.192 -0.270 116 HB3 LYS 20 2HB LYS 20 6.627 1.452 -0.111 117 HG2 LYS 20 1HG LYS 20 9.016 1.729 1.072 118 HG3 LYS 20 2HG LYS 20 8.321 3.313 1.424 119 HD2 LYS 20 1HD LYS 20 6.224 1.832 2.085 120 HD3 LYS 20 2HD LYS 20 7.475 0.612 2.338 121 HE2 LYS 20 1HE LYS 20 7.460 1.559 4.410 122 HE3 LYS 20 2HE LYS 20 8.641 2.608 3.628 123 HZ1 LYS 20 3HZ LYS 20 5.753 3.191 3.998 124 HZ2 LYS 20 1HZ LYS 20 6.843 4.185 3.169 125 HZ3 LYS 20 2HZ LYS 20 7.036 3.917 4.828 126 H ALA 21 H ALA 21 8.810 0.097 0.175 127 HA ALA 21 HA ALA 21 8.185 -1.956 -1.825 128 HB1 ALA 21 3HB ALA 21 10.494 -2.660 -0.195 129 HB2 ALA 21 1HB ALA 21 10.249 -2.800 -1.936 130 HB3 ALA 21 2HB ALA 21 10.781 -1.268 -1.240 131 H PHE 22 H PHE 22 7.476 -3.923 -0.990 132 HA PHE 22 HA PHE 22 7.263 -4.185 1.913 133 HB2 PHE 22 1HB PHE 22 4.863 -4.474 0.097 134 HB3 PHE 22 2HB PHE 22 4.886 -4.632 1.850 135 HD1 PHE 22 HD1 PHE 22 5.428 -2.215 -0.908 136 HD2 PHE 22 HD2 PHE 22 4.546 -2.775 3.218 137 HE1 PHE 22 HE1 PHE 22 4.930 0.185 -0.693 138 HE2 PHE 22 HE2 PHE 22 4.045 -0.377 3.440 139 HZ PHE 22 HZ PHE 22 4.236 1.107 1.483 140 H ILE 23 H ILE 23 6.994 -6.313 2.645 141 HA ILE 23 HA ILE 23 8.063 -8.312 0.891 142 HB ILE 23 HB ILE 23 6.943 -8.690 3.669 143 HG12 ILE 23 1HG1 ILE 23 9.586 -8.693 4.069 144 HG13 ILE 23 2HG1 ILE 23 9.537 -7.613 2.680 145 HG21 ILE 23 1HG2 ILE 23 8.420 -10.407 1.761 146 HG22 ILE 23 2HG2 ILE 23 8.861 -10.526 3.464 147 HG23 ILE 23 3HG2 ILE 23 7.199 -10.832 2.960 148 HD11 ILE 23 3HD1 ILE 23 8.442 -5.969 3.825 149 HD12 ILE 23 1HD1 ILE 23 7.698 -7.098 4.957 150 HD13 ILE 23 2HD1 ILE 23 9.405 -6.684 5.118 151 H ARG 24 H ARG 24 4.913 -7.650 2.342 152 HA ARG 24 HA ARG 24 3.740 -9.620 0.499 153 HB2 ARG 24 1HB ARG 24 2.774 -9.118 3.317 154 HB3 ARG 24 2HB ARG 24 2.153 -10.311 2.184 155 HG2 ARG 24 1HG ARG 24 4.500 -11.314 2.225 156 HG3 ARG 24 2HG ARG 24 4.766 -10.307 3.650 157 HD2 ARG 24 1HD ARG 24 2.832 -11.352 4.737 158 HD3 ARG 24 2HD ARG 24 2.586 -12.365 3.316 159 HE ARG 24 HE ARG 24 5.141 -12.903 4.035 160 HH11 ARG 24 1HH1 ARG 24 2.109 -12.916 5.746 161 HH12 ARG 24 2HH1 ARG 24 2.584 -14.172 6.841 162 HH21 ARG 24 1HH2 ARG 24 5.777 -14.557 5.471 163 HH22 ARG 24 2HH2 ARG 24 4.671 -15.104 6.685 164 H ASN 25 H ASN 25 1.953 -8.972 -0.587 165 HA ASN 25 HA ASN 25 1.373 -6.380 -1.103 166 HB2 ASN 25 1HB ASN 25 0.384 -8.643 -2.060 167 HB3 ASN 25 2HB ASN 25 -0.954 -8.248 -0.985 168 HD21 ASN 25 1HD2 ASN 25 -0.427 -5.353 -1.332 169 HD22 ASN 25 2HD2 ASN 25 -1.085 -4.958 -2.880 170 H SER 26 H SER 26 -0.401 -8.372 1.263 171 HA SER 26 HA SER 26 -2.234 -6.654 2.235 172 HB2 SER 26 1HB SER 26 -1.501 -9.026 3.073 173 HB3 SER 26 2HB SER 26 -0.542 -8.114 4.239 174 HG SER 26 HG SER 26 -2.724 -8.688 4.921 175 H GLN 27 H GLN 27 1.218 -6.589 2.981 176 HA GLN 27 HA GLN 27 1.084 -4.521 4.910 177 HB2 GLN 27 1HB GLN 27 3.466 -5.103 3.160 178 HB3 GLN 27 2HB GLN 27 3.453 -4.451 4.793 179 HG2 GLN 27 1HG GLN 27 2.281 -6.777 5.299 180 HG3 GLN 27 2HG GLN 27 3.186 -7.247 3.860 181 HE21 GLN 27 1HE2 GLN 27 3.340 -7.523 6.990 182 HE22 GLN 27 2HE2 GLN 27 5.034 -7.355 7.281 183 H LEU 28 H LEU 28 2.015 -4.470 1.471 184 HA LEU 28 HA LEU 28 2.450 -1.737 1.231 185 HB2 LEU 28 1HB LEU 28 3.155 -2.953 -0.591 186 HB3 LEU 28 2HB LEU 28 1.669 -3.899 -0.666 187 HG LEU 28 HG LEU 28 0.497 -1.937 -1.590 188 HD11 LEU 28 1HD1 LEU 28 3.189 -0.638 -1.876 189 HD12 LEU 28 2HD1 LEU 28 2.116 -0.295 -0.520 190 HD13 LEU 28 3HD1 LEU 28 1.594 0.056 -2.167 191 HD21 LEU 28 3HD2 LEU 28 2.541 -1.960 -3.566 192 HD22 LEU 28 1HD2 LEU 28 1.001 -2.821 -3.559 193 HD23 LEU 28 2HD2 LEU 28 2.434 -3.572 -2.856 194 H ILE 29 H ILE 29 -0.518 -3.519 0.363 195 HA ILE 29 HA ILE 29 -2.178 -1.522 -0.376 196 HB ILE 29 HB ILE 29 -2.891 -3.811 1.460 197 HG12 ILE 29 1HG1 ILE 29 -3.426 -3.625 -1.494 198 HG13 ILE 29 2HG1 ILE 29 -1.879 -4.210 -0.891 199 HG21 ILE 29 1HG2 ILE 29 -5.121 -3.153 -0.049 200 HG22 ILE 29 2HG2 ILE 29 -4.877 -2.828 1.666 201 HG23 ILE 29 3HG2 ILE 29 -4.472 -1.597 0.470 202 HD11 ILE 29 3HD1 ILE 29 -2.769 -6.223 -0.731 203 HD12 ILE 29 1HD1 ILE 29 -3.842 -5.613 0.528 204 HD13 ILE 29 2HD1 ILE 29 -4.362 -5.597 -1.157 205 H VAL 30 H VAL 30 -1.628 -2.497 3.007 206 HA VAL 30 HA VAL 30 -3.265 -0.629 4.243 207 HB VAL 30 HB VAL 30 -0.678 -1.857 5.191 208 HG11 VAL 30 1HG1 VAL 30 -1.372 -1.138 7.459 209 HG12 VAL 30 2HG1 VAL 30 -0.967 0.211 6.395 210 HG13 VAL 30 3HG1 VAL 30 -2.656 -0.176 6.727 211 HG21 VAL 30 3HG2 VAL 30 -3.452 -2.706 5.087 212 HG22 VAL 30 1HG2 VAL 30 -1.993 -3.645 5.404 213 HG23 VAL 30 2HG2 VAL 30 -2.790 -2.783 6.720 214 H HIS 31 H HIS 31 -0.016 -0.276 2.963 215 HA HIS 31 HA HIS 31 0.390 2.335 4.095 216 HB2 HIS 31 1HB HIS 31 2.333 0.979 3.681 217 HB3 HIS 31 2HB HIS 31 1.893 0.774 1.988 218 HD1 HIS 31 HD1 HIS 31 3.248 3.341 4.383 219 HD2 HIS 31 HD2 HIS 31 2.711 2.803 0.299 220 HE1 HIS 31 HE1 HIS 31 4.511 5.219 3.286 221 H GLN 32 H GLN 32 -1.165 1.076 1.319 222 HA GLN 32 HA GLN 32 -0.951 3.508 -0.233 223 HB2 GLN 32 1HB GLN 32 -2.453 0.925 -0.648 224 HB3 GLN 32 2HB GLN 32 -2.584 2.291 -1.748 225 HG2 GLN 32 1HG GLN 32 0.002 2.134 -1.843 226 HG3 GLN 32 2HG GLN 32 -0.254 0.504 -1.223 227 HE21 GLN 32 1HE2 GLN 32 0.640 1.709 -3.871 228 HE22 GLN 32 2HE2 GLN 32 -0.312 0.872 -5.045 229 H ARG 33 H ARG 33 -3.104 2.111 2.076 230 HA ARG 33 HA ARG 33 -5.519 3.320 1.450 231 HB2 ARG 33 1HB ARG 33 -4.301 2.664 4.133 232 HB3 ARG 33 2HB ARG 33 -5.958 3.220 3.938 233 HG2 ARG 33 1HG ARG 33 -6.125 1.223 2.265 234 HG3 ARG 33 2HG ARG 33 -4.725 0.624 3.157 235 HD2 ARG 33 1HD ARG 33 -5.914 0.470 5.156 236 HD3 ARG 33 2HD ARG 33 -7.180 1.562 4.595 237 HE ARG 33 HE ARG 33 -6.991 -0.899 3.108 238 HH11 ARG 33 1HH1 ARG 33 -8.398 0.709 5.856 239 HH12 ARG 33 2HH1 ARG 33 -9.749 -0.371 5.961 240 HH21 ARG 33 1HH2 ARG 33 -8.764 -2.327 3.234 241 HH22 ARG 33 2HH2 ARG 33 -9.956 -2.098 4.469 242 H THR 34 H THR 34 -2.732 4.626 3.173 243 HA THR 34 HA THR 34 -3.993 7.078 3.904 244 HB THR 34 HB THR 34 -1.999 6.144 5.081 245 HG1 THR 34 HG1 THR 34 -1.893 8.162 5.686 246 HG21 THR 34 3HG2 THR 34 -0.886 5.690 2.731 247 HG22 THR 34 1HG2 THR 34 0.099 6.047 4.149 248 HG23 THR 34 2HG2 THR 34 -0.246 7.316 2.973 249 H HIS 35 H HIS 35 -2.001 6.027 1.195 250 HA HIS 35 HA HIS 35 -1.569 8.581 0.066 251 HB2 HIS 35 1HB HIS 35 -1.324 5.765 -0.872 252 HB3 HIS 35 2HB HIS 35 -1.370 7.030 -2.096 253 HD1 HIS 35 HD1 HIS 35 0.485 9.029 -1.621 254 HD2 HIS 35 HD2 HIS 35 1.159 5.304 0.093 255 HE1 HIS 35 HE1 HIS 35 2.933 8.985 -1.047 256 H SER 36 H SER 36 -4.112 6.174 -0.345 257 HA SER 36 HA SER 36 -5.410 7.394 -2.530 258 HB2 SER 36 1HB SER 36 -7.339 5.992 -1.915 259 HB3 SER 36 2HB SER 36 -5.839 5.066 -1.875 260 HG SER 36 HG SER 36 -7.290 6.120 0.319 261 H GLY 37 H GLY 37 -7.231 8.730 -2.625 262 HA2 GLY 37 1HA GLY 37 -9.004 9.949 -1.495 263 HA3 GLY 37 2HA GLY 37 -7.936 10.099 -0.108 264 H GLU 38 H GLU 38 -5.588 10.848 -1.530 265 HA GLU 38 HA GLU 38 -5.993 13.639 -1.689 266 HB2 GLU 38 1HB GLU 38 -3.829 12.200 -1.230 267 HB3 GLU 38 2HB GLU 38 -3.620 12.351 -2.969 268 HG2 GLU 38 1HG GLU 38 -2.407 14.060 -1.654 269 HG3 GLU 38 2HG GLU 38 -3.540 14.731 -2.825 270 H SER 39 H SER 39 -5.611 15.026 -3.535 271 HA SER 39 HA SER 39 -7.030 14.097 -5.857 272 HB2 SER 39 1HB SER 39 -6.966 16.369 -6.608 273 HB3 SER 39 2HB SER 39 -7.240 16.416 -4.866 274 HG SER 39 HG SER 39 -5.461 17.763 -6.025 275 H GLY 40 H GLY 40 -3.770 15.445 -5.315 276 HA2 GLY 40 1HA GLY 40 -2.506 13.590 -7.037 277 HA3 GLY 40 2HA GLY 40 -2.795 15.092 -7.902 278 HA PRO 41 HA PRO 41 0.312 15.920 -4.245 279 HB2 PRO 41 1HB PRO 41 1.694 13.721 -3.453 280 HB3 PRO 41 2HB PRO 41 0.187 14.236 -2.686 281 HG2 PRO 41 1HG PRO 41 0.634 12.115 -4.751 282 HG3 PRO 41 2HG PRO 41 -0.391 12.070 -3.305 283 HD2 PRO 41 1HD PRO 41 -1.386 12.521 -5.782 284 HD3 PRO 41 2HD PRO 41 -2.095 13.242 -4.323 285 H SER 42 H SER 42 0.514 14.439 -7.179 286 HA SER 42 HA SER 42 2.989 13.704 -7.835 287 HB2 SER 42 1HB SER 42 1.343 15.762 -9.325 288 HB3 SER 42 2HB SER 42 2.734 14.918 -10.005 289 HG SER 42 HG SER 42 0.393 13.665 -8.998 290 H SER 43 H SER 43 5.018 14.457 -7.817 291 HA SER 43 HA SER 43 5.430 17.216 -6.894 292 HB2 SER 43 1HB SER 43 7.601 16.483 -6.091 293 HB3 SER 43 2HB SER 43 6.364 15.378 -5.493 294 HG SER 43 HG SER 43 7.631 13.921 -6.337 295 H GLY 44 H GLY 44 7.792 17.966 -7.625 296 HA2 GLY 44 1HA GLY 44 9.257 17.600 -9.697 297 HA3 GLY 44 2HA GLY 44 7.745 17.809 -10.568 Start of MODEL 18 1 H1 GLY 1 H GLY 1 33.746 12.240 -6.663 2 HA2 GLY 1 1HA GLY 1 36.005 10.433 -7.275 3 HA3 GLY 1 2HA GLY 1 35.768 11.152 -5.689 4 H SER 2 H SER 2 34.469 10.159 -4.239 5 HA SER 2 HA SER 2 33.102 7.714 -5.157 6 HB2 SER 2 1HB SER 2 35.134 7.650 -3.480 7 HB3 SER 2 2HB SER 2 33.906 8.102 -2.298 8 HG SER 2 HG SER 2 34.407 5.718 -2.978 9 H SER 3 H SER 3 31.011 7.360 -4.577 10 HA SER 3 HA SER 3 29.704 8.979 -2.579 11 HB2 SER 3 1HB SER 3 29.349 9.481 -5.495 12 HB3 SER 3 2HB SER 3 27.913 9.549 -4.474 13 HG SER 3 HG SER 3 29.005 11.582 -4.683 14 H GLY 4 H GLY 4 28.164 7.815 -1.615 15 HA2 GLY 4 1HA GLY 4 27.089 5.484 -3.082 16 HA3 GLY 4 2HA GLY 4 27.481 5.439 -1.369 17 H SER 5 H SER 5 24.970 5.472 -3.381 18 HA SER 5 HA SER 5 23.256 6.842 -1.427 19 HB2 SER 5 1HB SER 5 23.552 8.321 -3.386 20 HB3 SER 5 2HB SER 5 22.954 7.035 -4.434 21 HG SER 5 HG SER 5 21.320 8.551 -3.848 22 H SER 6 H SER 6 21.269 5.909 -1.054 23 HA SER 6 HA SER 6 21.008 3.158 -1.971 24 HB2 SER 6 1HB SER 6 19.488 4.726 0.125 25 HB3 SER 6 2HB SER 6 19.205 3.027 -0.250 26 HG SER 6 HG SER 6 20.727 3.640 1.552 27 H GLY 7 H GLY 7 18.806 2.349 -2.540 28 HA2 GLY 7 1HA GLY 7 16.676 3.921 -3.345 29 HA3 GLY 7 2HA GLY 7 17.768 3.856 -4.720 30 H THR 8 H THR 8 18.599 1.473 -5.088 31 HA THR 8 HA THR 8 16.668 -0.024 -6.221 32 HB THR 8 HB THR 8 19.007 -1.232 -4.732 33 HG1 THR 8 HG1 THR 8 19.834 0.268 -6.143 34 HG21 THR 8 3HG2 THR 8 18.057 -3.142 -5.434 35 HG22 THR 8 1HG2 THR 8 18.620 -2.668 -7.036 36 HG23 THR 8 2HG2 THR 8 16.968 -2.301 -6.538 37 H ARG 9 H ARG 9 14.973 -1.209 -5.611 38 HA ARG 9 HA ARG 9 14.579 -1.682 -2.746 39 HB2 ARG 9 1HB ARG 9 12.591 -1.864 -5.018 40 HB3 ARG 9 2HB ARG 9 12.221 -2.007 -3.305 41 HG2 ARG 9 1HG ARG 9 13.458 0.461 -4.484 42 HG3 ARG 9 2HG ARG 9 11.713 0.214 -4.398 43 HD2 ARG 9 1HD ARG 9 12.302 -0.340 -1.871 44 HD3 ARG 9 2HD ARG 9 13.680 0.700 -2.227 45 HE ARG 9 HE ARG 9 10.914 1.492 -1.991 46 HH11 ARG 9 1HH1 ARG 9 14.078 2.324 -3.180 47 HH12 ARG 9 2HH1 ARG 9 13.755 4.025 -3.231 48 HH21 ARG 9 1HH2 ARG 9 10.476 3.730 -2.052 49 HH22 ARG 9 2HH2 ARG 9 11.706 4.824 -2.588 50 H GLU 10 H GLU 10 14.569 -3.669 -1.888 51 HA GLU 10 HA GLU 10 15.167 -5.917 -3.630 52 HB2 GLU 10 1HB GLU 10 15.167 -5.570 -0.635 53 HB3 GLU 10 2HB GLU 10 15.424 -7.129 -1.406 54 HG2 GLU 10 1HG GLU 10 17.578 -6.455 -1.105 55 HG3 GLU 10 2HG GLU 10 17.274 -5.828 -2.724 56 H LYS 11 H LYS 11 12.685 -4.917 -1.320 57 HA LYS 11 HA LYS 11 11.156 -7.251 -1.298 58 HB2 LYS 11 1HB LYS 11 10.652 -4.384 -0.708 59 HB3 LYS 11 2HB LYS 11 9.241 -5.403 -0.964 60 HG2 LYS 11 1HG LYS 11 9.476 -5.638 1.282 61 HG3 LYS 11 2HG LYS 11 10.499 -6.972 0.745 62 HD2 LYS 11 1HD LYS 11 12.480 -5.655 1.044 63 HD3 LYS 11 2HD LYS 11 11.526 -4.205 1.366 64 HE2 LYS 11 1HE LYS 11 12.086 -4.852 3.500 65 HE3 LYS 11 2HE LYS 11 10.527 -5.652 3.301 66 HZ1 LYS 11 3HZ LYS 11 13.223 -6.867 3.104 67 HZ2 LYS 11 1HZ LYS 11 11.820 -7.657 2.584 68 HZ3 LYS 11 2HZ LYS 11 11.998 -7.234 4.211 69 HA PRO 12 HA PRO 12 9.387 -7.457 -5.323 70 HB2 PRO 12 1HB PRO 12 7.179 -8.930 -4.750 71 HB3 PRO 12 2HB PRO 12 8.807 -9.617 -4.795 72 HG2 PRO 12 1HG PRO 12 7.184 -8.743 -2.436 73 HG3 PRO 12 2HG PRO 12 8.182 -10.195 -2.631 74 HD2 PRO 12 1HD PRO 12 9.036 -8.012 -1.277 75 HD3 PRO 12 2HD PRO 12 10.140 -9.063 -2.188 76 H TYR 13 H TYR 13 7.039 -6.813 -2.713 77 HA TYR 13 HA TYR 13 5.236 -5.438 -4.461 78 HB2 TYR 13 1HB TYR 13 5.342 -5.588 -1.441 79 HB3 TYR 13 2HB TYR 13 4.022 -4.880 -2.365 80 HD1 TYR 13 HD2 TYR 13 2.501 -6.298 -3.649 81 HD2 TYR 13 HD1 TYR 13 5.633 -7.984 -1.314 82 HE1 TYR 13 HE2 TYR 13 1.424 -8.503 -3.808 83 HE2 TYR 13 HE1 TYR 13 4.565 -10.195 -1.468 84 HH TYR 13 HH TYR 13 2.643 -11.170 -3.523 85 H GLU 14 H GLU 14 5.131 -3.333 -4.945 86 HA GLU 14 HA GLU 14 6.701 -1.433 -3.348 87 HB2 GLU 14 1HB GLU 14 7.017 -2.102 -6.206 88 HB3 GLU 14 2HB GLU 14 6.981 -0.383 -5.837 89 HG2 GLU 14 1HG GLU 14 8.961 -0.428 -4.741 90 HG3 GLU 14 2HG GLU 14 8.731 -2.077 -4.162 91 H CYS 15 H CYS 15 5.973 0.743 -3.433 92 HA CYS 15 HA CYS 15 3.113 0.947 -3.872 93 HB2 CYS 15 1HB CYS 15 4.294 1.842 -1.818 94 HB3 CYS 15 2HB CYS 15 4.975 3.094 -2.852 95 H SER 16 H SER 16 2.212 1.770 -5.635 96 HA SER 16 HA SER 16 3.872 2.942 -7.692 97 HB2 SER 16 1HB SER 16 0.901 2.363 -7.617 98 HB3 SER 16 2HB SER 16 1.781 2.935 -9.035 99 HG SER 16 HG SER 16 2.567 0.998 -9.331 100 H GLU 17 H GLU 17 3.224 4.347 -5.088 101 HA GLU 17 HA GLU 17 2.105 6.809 -6.261 102 HB2 GLU 17 1HB GLU 17 2.100 6.132 -3.323 103 HB3 GLU 17 2HB GLU 17 1.200 7.401 -4.142 104 HG2 GLU 17 1HG GLU 17 0.707 4.569 -4.905 105 HG3 GLU 17 2HG GLU 17 0.035 5.181 -3.395 106 H CYS 18 H CYS 18 4.478 5.501 -3.981 107 HA CYS 18 HA CYS 18 6.069 7.951 -4.366 108 HB2 CYS 18 1HB CYS 18 6.923 7.658 -2.062 109 HB3 CYS 18 2HB CYS 18 5.185 7.937 -2.100 110 H GLY 19 H GLY 19 6.128 4.477 -3.676 111 HA2 GLY 19 1HA GLY 19 7.713 3.280 -5.243 112 HA3 GLY 19 2HA GLY 19 8.916 4.413 -4.648 113 H LYS 20 H LYS 20 6.847 3.671 -2.158 114 HA LYS 20 HA LYS 20 8.700 2.477 -0.523 115 HB2 LYS 20 1HB LYS 20 6.165 3.294 -0.173 116 HB3 LYS 20 2HB LYS 20 5.896 1.556 -0.200 117 HG2 LYS 20 1HG LYS 20 6.247 1.807 2.018 118 HG3 LYS 20 2HG LYS 20 7.927 1.613 1.514 119 HD2 LYS 20 1HD LYS 20 6.782 4.355 1.505 120 HD3 LYS 20 2HD LYS 20 7.144 3.618 3.067 121 HE2 LYS 20 1HE LYS 20 9.080 3.943 0.776 122 HE3 LYS 20 2HE LYS 20 9.027 4.942 2.228 123 HZ1 LYS 20 3HZ LYS 20 9.741 2.075 2.025 124 HZ2 LYS 20 1HZ LYS 20 9.396 2.825 3.501 125 HZ3 LYS 20 2HZ LYS 20 10.707 3.351 2.572 126 H ALA 21 H ALA 21 8.524 0.211 0.430 127 HA ALA 21 HA ALA 21 7.983 -1.790 -1.652 128 HB1 ALA 21 3HB ALA 21 10.494 -1.034 -1.244 129 HB2 ALA 21 1HB ALA 21 10.367 -2.213 0.061 130 HB3 ALA 21 2HB ALA 21 10.065 -2.706 -1.606 131 H PHE 22 H PHE 22 7.617 -3.936 -0.859 132 HA PHE 22 HA PHE 22 7.360 -4.350 1.990 133 HB2 PHE 22 1HB PHE 22 4.891 -4.532 0.254 134 HB3 PHE 22 2HB PHE 22 4.987 -4.816 1.988 135 HD1 PHE 22 HD1 PHE 22 5.041 -2.267 -0.649 136 HD2 PHE 22 HD2 PHE 22 5.037 -2.999 3.544 137 HE1 PHE 22 HE1 PHE 22 4.528 0.104 -0.239 138 HE2 PHE 22 HE2 PHE 22 4.523 -0.629 3.961 139 HZ PHE 22 HZ PHE 22 4.267 0.926 2.068 140 H ILE 23 H ILE 23 6.930 -6.558 2.548 141 HA ILE 23 HA ILE 23 7.965 -8.398 0.562 142 HB ILE 23 HB ILE 23 7.221 -8.835 3.456 143 HG12 ILE 23 1HG1 ILE 23 9.982 -8.825 2.252 144 HG13 ILE 23 2HG1 ILE 23 9.222 -7.344 2.825 145 HG21 ILE 23 1HG2 ILE 23 8.718 -10.922 3.029 146 HG22 ILE 23 2HG2 ILE 23 7.015 -10.955 2.575 147 HG23 ILE 23 3HG2 ILE 23 8.249 -10.680 1.346 148 HD11 ILE 23 3HD1 ILE 23 10.108 -7.821 4.800 149 HD12 ILE 23 1HD1 ILE 23 8.899 -9.098 4.928 150 HD13 ILE 23 2HD1 ILE 23 10.509 -9.467 4.309 151 H ARG 24 H ARG 24 4.950 -7.733 2.220 152 HA ARG 24 HA ARG 24 3.651 -9.777 0.543 153 HB2 ARG 24 1HB ARG 24 2.780 -8.983 3.326 154 HB3 ARG 24 2HB ARG 24 2.088 -10.251 2.323 155 HG2 ARG 24 1HG ARG 24 4.573 -11.163 2.408 156 HG3 ARG 24 2HG ARG 24 4.589 -10.236 3.910 157 HD2 ARG 24 1HD ARG 24 2.354 -12.134 3.301 158 HD3 ARG 24 2HD ARG 24 3.874 -12.720 3.973 159 HE ARG 24 HE ARG 24 2.708 -10.525 5.428 160 HH11 ARG 24 1HH1 ARG 24 2.835 -13.983 5.044 161 HH12 ARG 24 2HH1 ARG 24 2.299 -14.312 6.659 162 HH21 ARG 24 1HH2 ARG 24 2.002 -10.946 7.555 163 HH22 ARG 24 2HH2 ARG 24 1.825 -12.584 8.086 164 H ASN 25 H ASN 25 1.779 -9.201 -0.477 165 HA ASN 25 HA ASN 25 1.306 -6.599 -1.197 166 HB2 ASN 25 1HB ASN 25 0.302 -8.874 -2.068 167 HB3 ASN 25 2HB ASN 25 -1.029 -8.461 -0.991 168 HD21 ASN 25 1HD2 ASN 25 -0.715 -5.607 -1.361 169 HD22 ASN 25 2HD2 ASN 25 -1.323 -5.250 -2.939 170 H SER 26 H SER 26 -0.522 -8.438 1.251 171 HA SER 26 HA SER 26 -2.302 -6.575 2.107 172 HB2 SER 26 1HB SER 26 -2.053 -7.609 4.406 173 HB3 SER 26 2HB SER 26 -2.333 -8.754 3.094 174 HG SER 26 HG SER 26 0.254 -8.090 4.035 175 H GLN 27 H GLN 27 1.135 -6.682 2.827 176 HA GLN 27 HA GLN 27 1.129 -4.651 4.802 177 HB2 GLN 27 1HB GLN 27 3.387 -5.488 2.976 178 HB3 GLN 27 2HB GLN 27 3.545 -4.583 4.475 179 HG2 GLN 27 1HG GLN 27 2.207 -7.227 4.585 180 HG3 GLN 27 2HG GLN 27 3.955 -7.188 4.354 181 HE21 GLN 27 1HE2 GLN 27 4.703 -7.822 6.275 182 HE22 GLN 27 2HE2 GLN 27 4.352 -7.053 7.781 183 H LEU 28 H LEU 28 1.939 -4.585 1.335 184 HA LEU 28 HA LEU 28 2.504 -1.863 1.137 185 HB2 LEU 28 1HB LEU 28 3.117 -3.133 -0.702 186 HB3 LEU 28 2HB LEU 28 1.548 -3.929 -0.799 187 HG LEU 28 HG LEU 28 0.573 -1.814 -1.641 188 HD11 LEU 28 1HD1 LEU 28 2.143 -0.072 -2.448 189 HD12 LEU 28 2HD1 LEU 28 3.443 -0.895 -1.587 190 HD13 LEU 28 3HD1 LEU 28 2.087 -0.211 -0.691 191 HD21 LEU 28 3HD2 LEU 28 2.808 -3.177 -3.096 192 HD22 LEU 28 1HD2 LEU 28 1.905 -1.863 -3.850 193 HD23 LEU 28 2HD2 LEU 28 1.066 -3.326 -3.334 194 H ILE 29 H ILE 29 -0.558 -3.527 0.371 195 HA ILE 29 HA ILE 29 -2.151 -1.444 -0.322 196 HB ILE 29 HB ILE 29 -2.921 -3.731 1.494 197 HG12 ILE 29 1HG1 ILE 29 -3.511 -3.509 -1.443 198 HG13 ILE 29 2HG1 ILE 29 -1.955 -4.120 -0.892 199 HG21 ILE 29 1HG2 ILE 29 -4.756 -2.435 1.781 200 HG22 ILE 29 2HG2 ILE 29 -4.479 -1.523 0.298 201 HG23 ILE 29 3HG2 ILE 29 -5.196 -3.132 0.222 202 HD11 ILE 29 3HD1 ILE 29 -2.888 -6.120 -0.769 203 HD12 ILE 29 1HD1 ILE 29 -3.848 -5.526 0.585 204 HD13 ILE 29 2HD1 ILE 29 -4.494 -5.451 -1.055 205 H VAL 30 H VAL 30 -1.452 -2.464 3.013 206 HA VAL 30 HA VAL 30 -3.026 -0.639 4.375 207 HB VAL 30 HB VAL 30 -0.314 -1.703 5.175 208 HG11 VAL 30 1HG1 VAL 30 -2.056 -1.115 7.373 209 HG12 VAL 30 2HG1 VAL 30 -0.434 -0.504 7.040 210 HG13 VAL 30 3HG1 VAL 30 -1.844 0.324 6.378 211 HG21 VAL 30 3HG2 VAL 30 -2.635 -3.099 4.750 212 HG22 VAL 30 1HG2 VAL 30 -1.311 -3.608 5.799 213 HG23 VAL 30 2HG2 VAL 30 -2.703 -2.764 6.480 214 H HIS 31 H HIS 31 0.169 -0.217 2.955 215 HA HIS 31 HA HIS 31 0.551 2.410 4.047 216 HB2 HIS 31 1HB HIS 31 2.521 1.150 3.566 217 HB3 HIS 31 2HB HIS 31 1.998 0.840 1.913 218 HD1 HIS 31 HD1 HIS 31 3.205 3.687 4.095 219 HD2 HIS 31 HD2 HIS 31 2.821 2.694 0.079 220 HE1 HIS 31 HE1 HIS 31 4.378 5.519 2.834 221 H GLN 32 H GLN 32 -1.062 1.097 1.320 222 HA GLN 32 HA GLN 32 -0.984 3.526 -0.241 223 HB2 GLN 32 1HB GLN 32 -2.496 0.935 -0.576 224 HB3 GLN 32 2HB GLN 32 -2.624 2.284 -1.697 225 HG2 GLN 32 1HG GLN 32 -0.144 2.122 -2.022 226 HG3 GLN 32 2HG GLN 32 -0.193 0.627 -1.089 227 HE21 GLN 32 1HE2 GLN 32 -0.041 1.758 -4.105 228 HE22 GLN 32 2HE2 GLN 32 -0.833 0.485 -4.964 229 H ARG 33 H ARG 33 -2.916 2.206 2.258 230 HA ARG 33 HA ARG 33 -5.424 3.280 1.739 231 HB2 ARG 33 1HB ARG 33 -4.046 2.956 4.412 232 HB3 ARG 33 2HB ARG 33 -5.771 3.214 4.184 233 HG2 ARG 33 1HG ARG 33 -5.842 1.093 2.875 234 HG3 ARG 33 2HG ARG 33 -4.159 0.823 3.333 235 HD2 ARG 33 1HD ARG 33 -5.195 -0.344 4.997 236 HD3 ARG 33 2HD ARG 33 -5.121 1.246 5.756 237 HE ARG 33 HE ARG 33 -7.522 1.051 4.330 238 HH11 ARG 33 1HH1 ARG 33 -5.971 -0.321 7.129 239 HH12 ARG 33 2HH1 ARG 33 -7.458 -0.640 7.958 240 HH21 ARG 33 1HH2 ARG 33 -9.487 0.636 5.412 241 HH22 ARG 33 2HH2 ARG 33 -9.458 -0.096 6.981 242 H THR 34 H THR 34 -2.581 4.780 3.199 243 HA THR 34 HA THR 34 -3.872 7.221 3.886 244 HB THR 34 HB THR 34 -1.787 6.504 4.979 245 HG1 THR 34 HG1 THR 34 -1.617 8.961 3.541 246 HG21 THR 34 3HG2 THR 34 0.190 6.159 3.912 247 HG22 THR 34 1HG2 THR 34 -0.128 7.390 2.691 248 HG23 THR 34 2HG2 THR 34 -0.880 5.801 2.558 249 H HIS 35 H HIS 35 -2.127 6.075 1.058 250 HA HIS 35 HA HIS 35 -1.861 8.574 -0.237 251 HB2 HIS 35 1HB HIS 35 -1.655 5.717 -1.055 252 HB3 HIS 35 2HB HIS 35 -1.839 6.920 -2.327 253 HD1 HIS 35 HD1 HIS 35 -0.004 9.041 -1.929 254 HD2 HIS 35 HD2 HIS 35 0.940 5.253 -0.508 255 HE1 HIS 35 HE1 HIS 35 2.494 9.035 -1.640 256 H SER 36 H SER 36 -4.440 6.216 -0.087 257 HA SER 36 HA SER 36 -6.029 6.700 -2.199 258 HB2 SER 36 1HB SER 36 -7.933 6.155 -0.857 259 HB3 SER 36 2HB SER 36 -6.568 5.265 -0.183 260 HG SER 36 HG SER 36 -7.907 6.380 1.385 261 H GLY 37 H GLY 37 -6.725 8.463 -3.198 262 HA2 GLY 37 1HA GLY 37 -6.460 11.065 -2.186 263 HA3 GLY 37 2HA GLY 37 -7.420 10.614 -3.587 264 H GLU 38 H GLU 38 -9.503 9.308 -2.816 265 HA GLU 38 HA GLU 38 -10.691 10.753 -0.547 266 HB2 GLU 38 1HB GLU 38 -12.780 11.004 -1.815 267 HB3 GLU 38 2HB GLU 38 -11.444 11.840 -2.595 268 HG2 GLU 38 1HG GLU 38 -12.355 10.843 -4.411 269 HG3 GLU 38 2HG GLU 38 -11.257 9.557 -3.912 270 H SER 39 H SER 39 -12.019 9.584 0.753 271 HA SER 39 HA SER 39 -12.243 6.720 0.136 272 HB2 SER 39 1HB SER 39 -11.054 7.241 2.213 273 HB3 SER 39 2HB SER 39 -12.444 8.159 2.794 274 HG SER 39 HG SER 39 -12.416 5.384 2.191 275 H GLY 40 H GLY 40 -14.038 8.421 -1.141 276 HA2 GLY 40 1HA GLY 40 -16.526 7.286 -0.268 277 HA3 GLY 40 2HA GLY 40 -16.438 9.016 0.029 278 HA PRO 41 HA PRO 41 -16.312 8.219 -4.772 279 HB2 PRO 41 1HB PRO 41 -17.407 5.855 -5.535 280 HB3 PRO 41 2HB PRO 41 -15.680 6.055 -5.215 281 HG2 PRO 41 1HG PRO 41 -17.817 4.931 -3.445 282 HG3 PRO 41 2HG PRO 41 -16.171 4.335 -3.729 283 HD2 PRO 41 1HD PRO 41 -16.842 5.768 -1.531 284 HD3 PRO 41 2HD PRO 41 -15.233 5.859 -2.276 285 H SER 42 H SER 42 -18.153 7.993 -6.412 286 HA SER 42 HA SER 42 -20.227 8.689 -7.046 287 HB2 SER 42 1HB SER 42 -20.664 6.368 -6.033 288 HB3 SER 42 2HB SER 42 -21.294 7.232 -4.631 289 HG SER 42 HG SER 42 -23.061 7.532 -5.705 290 H SER 43 H SER 43 -18.839 10.557 -5.540 291 HA SER 43 HA SER 43 -20.319 11.613 -3.376 292 HB2 SER 43 1HB SER 43 -18.125 12.607 -5.140 293 HB3 SER 43 2HB SER 43 -19.009 13.785 -4.171 294 HG SER 43 HG SER 43 -17.272 13.030 -2.979 295 H GLY 44 H GLY 44 -21.063 14.049 -3.579 296 HA2 GLY 44 1HA GLY 44 -22.479 14.597 -6.057 297 HA3 GLY 44 2HA GLY 44 -23.499 14.237 -4.672 Start of MODEL 19 1 H1 GLY 1 H GLY 1 29.204 12.058 -11.135 2 HA2 GLY 1 1HA GLY 1 27.393 12.637 -8.887 3 HA3 GLY 1 2HA GLY 1 26.921 12.564 -10.578 4 H SER 2 H SER 2 28.496 10.421 -8.198 5 HA SER 2 HA SER 2 26.554 8.339 -8.929 6 HB2 SER 2 1HB SER 2 28.591 7.787 -10.125 7 HB3 SER 2 2HB SER 2 29.547 7.978 -8.656 8 HG SER 2 HG SER 2 29.182 5.923 -8.420 9 H SER 3 H SER 3 29.050 9.343 -6.612 10 HA SER 3 HA SER 3 29.335 8.814 -4.392 11 HB2 SER 3 1HB SER 3 26.392 9.525 -4.443 12 HB3 SER 3 2HB SER 3 27.423 9.536 -3.012 13 HG SER 3 HG SER 3 27.138 11.615 -4.064 14 H GLY 4 H GLY 4 29.015 6.474 -5.845 15 HA2 GLY 4 1HA GLY 4 28.627 4.237 -5.506 16 HA3 GLY 4 2HA GLY 4 28.322 4.639 -3.822 17 H SER 5 H SER 5 26.988 2.780 -5.783 18 HA SER 5 HA SER 5 24.254 3.848 -5.511 19 HB2 SER 5 1HB SER 5 25.209 1.842 -7.566 20 HB3 SER 5 2HB SER 5 23.615 2.591 -7.479 21 HG SER 5 HG SER 5 26.091 3.835 -8.073 22 H SER 6 H SER 6 24.234 2.937 -3.360 23 HA SER 6 HA SER 6 24.031 0.001 -3.313 24 HB2 SER 6 1HB SER 6 25.654 1.355 -1.760 25 HB3 SER 6 2HB SER 6 24.193 1.666 -0.823 26 HG SER 6 HG SER 6 25.374 -0.831 -1.445 27 H GLY 7 H GLY 7 22.468 -0.733 -1.466 28 HA2 GLY 7 1HA GLY 7 20.311 0.631 -0.535 29 HA3 GLY 7 2HA GLY 7 19.867 0.272 -2.197 30 H THR 8 H THR 8 18.864 -0.668 0.498 31 HA THR 8 HA THR 8 19.162 -3.563 0.033 32 HB THR 8 HB THR 8 18.242 -2.363 2.636 33 HG1 THR 8 HG1 THR 8 20.441 -2.556 3.312 34 HG21 THR 8 3HG2 THR 8 19.794 -4.879 2.447 35 HG22 THR 8 1HG2 THR 8 18.149 -4.910 1.811 36 HG23 THR 8 2HG2 THR 8 18.437 -4.460 3.492 37 H ARG 9 H ARG 9 17.372 -2.371 -1.572 38 HA ARG 9 HA ARG 9 14.767 -2.991 -0.340 39 HB2 ARG 9 1HB ARG 9 15.351 -1.076 -2.607 40 HB3 ARG 9 2HB ARG 9 13.756 -1.440 -1.961 41 HG2 ARG 9 1HG ARG 9 15.893 -0.386 -0.161 42 HG3 ARG 9 2HG ARG 9 14.991 0.709 -1.211 43 HD2 ARG 9 1HD ARG 9 13.461 -1.241 0.429 44 HD3 ARG 9 2HD ARG 9 14.186 0.141 1.249 45 HE ARG 9 HE ARG 9 11.945 0.171 -0.559 46 HH11 ARG 9 1HH1 ARG 9 14.509 2.036 0.878 47 HH12 ARG 9 2HH1 ARG 9 13.707 3.555 0.653 48 HH21 ARG 9 1HH2 ARG 9 10.879 2.165 -0.861 49 HH22 ARG 9 2HH2 ARG 9 11.642 3.627 -0.336 50 H GLU 10 H GLU 10 14.909 -5.193 -0.908 51 HA GLU 10 HA GLU 10 14.817 -5.748 -3.798 52 HB2 GLU 10 1HB GLU 10 15.615 -7.942 -3.357 53 HB3 GLU 10 2HB GLU 10 16.628 -6.848 -2.425 54 HG2 GLU 10 1HG GLU 10 14.899 -7.365 -0.526 55 HG3 GLU 10 2HG GLU 10 14.591 -8.805 -1.495 56 H LYS 11 H LYS 11 12.767 -5.149 -1.413 57 HA LYS 11 HA LYS 11 11.001 -7.285 -1.224 58 HB2 LYS 11 1HB LYS 11 10.773 -4.335 -0.911 59 HB3 LYS 11 2HB LYS 11 9.277 -5.248 -1.052 60 HG2 LYS 11 1HG LYS 11 9.817 -4.957 1.267 61 HG3 LYS 11 2HG LYS 11 9.999 -6.660 0.840 62 HD2 LYS 11 1HD LYS 11 11.936 -6.343 2.014 63 HD3 LYS 11 2HD LYS 11 12.495 -5.920 0.395 64 HE2 LYS 11 1HE LYS 11 13.299 -4.178 1.707 65 HE3 LYS 11 2HE LYS 11 11.813 -3.516 1.028 66 HZ1 LYS 11 3HZ LYS 11 12.503 -3.921 3.744 67 HZ2 LYS 11 1HZ LYS 11 11.089 -4.775 3.377 68 HZ3 LYS 11 2HZ LYS 11 11.169 -3.109 3.093 69 HA PRO 12 HA PRO 12 9.336 -7.645 -5.297 70 HB2 PRO 12 1HB PRO 12 7.149 -9.129 -4.677 71 HB3 PRO 12 2HB PRO 12 8.785 -9.796 -4.708 72 HG2 PRO 12 1HG PRO 12 7.158 -8.879 -2.368 73 HG3 PRO 12 2HG PRO 12 8.174 -10.324 -2.527 74 HD2 PRO 12 1HD PRO 12 9.005 -8.093 -1.236 75 HD3 PRO 12 2HD PRO 12 10.119 -9.155 -2.122 76 H TYR 13 H TYR 13 7.120 -6.805 -2.643 77 HA TYR 13 HA TYR 13 5.248 -5.544 -4.440 78 HB2 TYR 13 1HB TYR 13 5.374 -5.662 -1.421 79 HB3 TYR 13 2HB TYR 13 4.063 -4.918 -2.329 80 HD1 TYR 13 HD2 TYR 13 2.585 -6.332 -3.743 81 HD2 TYR 13 HD1 TYR 13 5.508 -8.027 -1.157 82 HE1 TYR 13 HE2 TYR 13 1.448 -8.508 -3.893 83 HE2 TYR 13 HE1 TYR 13 4.380 -10.208 -1.301 84 HH TYR 13 HH TYR 13 1.262 -10.577 -2.664 85 H GLU 14 H GLU 14 4.923 -3.386 -4.760 86 HA GLU 14 HA GLU 14 6.578 -1.475 -3.290 87 HB2 GLU 14 1HB GLU 14 6.807 -2.129 -6.170 88 HB3 GLU 14 2HB GLU 14 6.828 -0.420 -5.758 89 HG2 GLU 14 1HG GLU 14 8.833 -0.550 -4.705 90 HG3 GLU 14 2HG GLU 14 8.583 -2.218 -4.193 91 H CYS 15 H CYS 15 5.674 0.531 -3.056 92 HA CYS 15 HA CYS 15 2.862 0.743 -3.462 93 HB2 CYS 15 1HB CYS 15 4.061 1.769 -1.542 94 HB3 CYS 15 2HB CYS 15 4.823 2.901 -2.655 95 H SER 16 H SER 16 1.784 1.496 -5.159 96 HA SER 16 HA SER 16 3.214 2.492 -7.451 97 HB2 SER 16 1HB SER 16 1.315 0.958 -7.732 98 HB3 SER 16 2HB SER 16 0.240 2.146 -6.996 99 HG SER 16 HG SER 16 0.588 1.969 -9.470 100 H GLU 17 H GLU 17 2.503 3.987 -4.723 101 HA GLU 17 HA GLU 17 1.513 6.463 -5.949 102 HB2 GLU 17 1HB GLU 17 1.859 5.856 -3.010 103 HB3 GLU 17 2HB GLU 17 1.000 7.217 -3.717 104 HG2 GLU 17 1HG GLU 17 0.151 4.406 -4.282 105 HG3 GLU 17 2HG GLU 17 -0.351 5.231 -2.809 106 H CYS 18 H CYS 18 4.039 5.341 -3.703 107 HA CYS 18 HA CYS 18 5.638 7.696 -4.462 108 HB2 CYS 18 1HB CYS 18 6.837 7.351 -2.306 109 HB3 CYS 18 2HB CYS 18 5.127 7.720 -2.100 110 H GLY 19 H GLY 19 5.769 4.222 -3.787 111 HA2 GLY 19 1HA GLY 19 7.063 2.945 -5.501 112 HA3 GLY 19 2HA GLY 19 8.333 4.133 -5.254 113 H LYS 20 H LYS 20 6.800 3.479 -2.355 114 HA LYS 20 HA LYS 20 9.004 2.459 -1.058 115 HB2 LYS 20 1HB LYS 20 6.665 3.293 -0.179 116 HB3 LYS 20 2HB LYS 20 6.281 1.577 -0.189 117 HG2 LYS 20 1HG LYS 20 7.644 1.118 1.555 118 HG3 LYS 20 2HG LYS 20 8.818 2.359 1.109 119 HD2 LYS 20 1HD LYS 20 7.949 3.367 2.951 120 HD3 LYS 20 2HD LYS 20 6.777 3.946 1.765 121 HE2 LYS 20 1HE LYS 20 5.685 3.087 3.785 122 HE3 LYS 20 2HE LYS 20 5.256 2.147 2.357 123 HZ1 LYS 20 3HZ LYS 20 5.907 0.356 3.459 124 HZ2 LYS 20 1HZ LYS 20 6.490 1.280 4.751 125 HZ3 LYS 20 2HZ LYS 20 7.495 0.939 3.434 126 H ALA 21 H ALA 21 8.643 0.187 0.226 127 HA ALA 21 HA ALA 21 8.099 -1.893 -1.775 128 HB1 ALA 21 3HB ALA 21 10.661 -1.136 -1.064 129 HB2 ALA 21 1HB ALA 21 10.356 -2.572 -0.085 130 HB3 ALA 21 2HB ALA 21 10.193 -2.650 -1.839 131 H PHE 22 H PHE 22 7.800 -4.041 -0.841 132 HA PHE 22 HA PHE 22 7.407 -4.266 2.005 133 HB2 PHE 22 1HB PHE 22 4.983 -4.662 0.254 134 HB3 PHE 22 2HB PHE 22 5.057 -4.636 2.013 135 HD1 PHE 22 HD1 PHE 22 5.628 -2.480 -0.963 136 HD2 PHE 22 HD2 PHE 22 4.577 -2.684 3.156 137 HE1 PHE 22 HE1 PHE 22 5.095 -0.078 -0.984 138 HE2 PHE 22 HE2 PHE 22 4.042 -0.283 3.142 139 HZ PHE 22 HZ PHE 22 4.299 1.024 1.070 140 H ILE 23 H ILE 23 6.799 -6.455 2.653 141 HA ILE 23 HA ILE 23 7.990 -8.409 0.867 142 HB ILE 23 HB ILE 23 6.960 -8.757 3.685 143 HG12 ILE 23 1HG1 ILE 23 9.601 -8.940 3.967 144 HG13 ILE 23 2HG1 ILE 23 9.580 -7.901 2.546 145 HG21 ILE 23 1HG2 ILE 23 7.993 -10.614 1.690 146 HG22 ILE 23 2HG2 ILE 23 8.854 -10.688 3.227 147 HG23 ILE 23 3HG2 ILE 23 7.107 -10.929 3.182 148 HD11 ILE 23 3HD1 ILE 23 9.720 -6.714 4.735 149 HD12 ILE 23 1HD1 ILE 23 8.382 -6.212 3.703 150 HD13 ILE 23 2HD1 ILE 23 8.085 -7.279 5.076 151 H ARG 24 H ARG 24 4.867 -7.701 2.332 152 HA ARG 24 HA ARG 24 3.661 -9.710 0.550 153 HB2 ARG 24 1HB ARG 24 2.623 -9.052 3.307 154 HB3 ARG 24 2HB ARG 24 2.081 -10.337 2.235 155 HG2 ARG 24 1HG ARG 24 4.607 -11.093 2.465 156 HG3 ARG 24 2HG ARG 24 4.471 -10.199 3.981 157 HD2 ARG 24 1HD ARG 24 3.914 -12.457 4.458 158 HD3 ARG 24 2HD ARG 24 2.407 -11.543 4.469 159 HE ARG 24 HE ARG 24 2.446 -12.443 1.963 160 HH11 ARG 24 1HH1 ARG 24 3.075 -14.070 4.976 161 HH12 ARG 24 2HH1 ARG 24 2.517 -15.610 4.411 162 HH21 ARG 24 1HH2 ARG 24 1.708 -14.465 1.208 163 HH22 ARG 24 2HH2 ARG 24 1.741 -15.834 2.267 164 H ASN 25 H ASN 25 1.828 -9.107 -0.518 165 HA ASN 25 HA ASN 25 1.334 -6.520 -1.190 166 HB2 ASN 25 1HB ASN 25 0.288 -8.805 -2.027 167 HB3 ASN 25 2HB ASN 25 -1.037 -8.324 -0.971 168 HD21 ASN 25 1HD2 ASN 25 -0.610 -5.488 -1.407 169 HD22 ASN 25 2HD2 ASN 25 -1.199 -5.148 -2.996 170 H SER 26 H SER 26 -0.525 -8.340 1.250 171 HA SER 26 HA SER 26 -2.266 -6.456 2.126 172 HB2 SER 26 1HB SER 26 -1.888 -8.842 3.006 173 HB3 SER 26 2HB SER 26 -0.721 -8.118 4.111 174 HG SER 26 HG SER 26 -3.259 -8.313 4.513 175 H GLN 27 H GLN 27 1.171 -6.624 2.853 176 HA GLN 27 HA GLN 27 1.199 -4.591 4.824 177 HB2 GLN 27 1HB GLN 27 3.454 -5.432 2.996 178 HB3 GLN 27 2HB GLN 27 3.608 -4.576 4.524 179 HG2 GLN 27 1HG GLN 27 2.239 -7.209 4.530 180 HG3 GLN 27 2HG GLN 27 3.991 -7.177 4.333 181 HE21 GLN 27 1HE2 GLN 27 4.705 -7.872 6.245 182 HE22 GLN 27 2HE2 GLN 27 4.329 -7.151 7.769 183 H LEU 28 H LEU 28 1.818 -4.555 1.331 184 HA LEU 28 HA LEU 28 2.467 -1.816 1.155 185 HB2 LEU 28 1HB LEU 28 3.122 -3.095 -0.668 186 HB3 LEU 28 2HB LEU 28 1.552 -3.886 -0.800 187 HG LEU 28 HG LEU 28 0.589 -1.836 -1.714 188 HD11 LEU 28 1HD1 LEU 28 1.695 0.151 -1.946 189 HD12 LEU 28 2HD1 LEU 28 3.286 -0.609 -1.982 190 HD13 LEU 28 3HD1 LEU 28 2.425 -0.440 -0.453 191 HD21 LEU 28 3HD2 LEU 28 2.182 -1.733 -3.790 192 HD22 LEU 28 1HD2 LEU 28 1.257 -3.193 -3.442 193 HD23 LEU 28 2HD2 LEU 28 2.962 -3.104 -3.000 194 H ILE 29 H ILE 29 -0.561 -3.499 0.298 195 HA ILE 29 HA ILE 29 -2.160 -1.432 -0.409 196 HB ILE 29 HB ILE 29 -2.973 -3.703 1.409 197 HG12 ILE 29 1HG1 ILE 29 -3.407 -3.560 -1.561 198 HG13 ILE 29 2HG1 ILE 29 -1.885 -4.156 -0.907 199 HG21 ILE 29 1HG2 ILE 29 -4.675 -2.053 1.505 200 HG22 ILE 29 2HG2 ILE 29 -4.594 -1.773 -0.234 201 HG23 ILE 29 3HG2 ILE 29 -5.235 -3.295 0.384 202 HD11 ILE 29 3HD1 ILE 29 -4.475 -5.452 -1.092 203 HD12 ILE 29 1HD1 ILE 29 -2.867 -6.148 -0.892 204 HD13 ILE 29 2HD1 ILE 29 -3.758 -5.567 0.515 205 H VAL 30 H VAL 30 -1.565 -2.471 2.944 206 HA VAL 30 HA VAL 30 -3.166 -0.626 4.254 207 HB VAL 30 HB VAL 30 -0.504 -1.727 5.167 208 HG11 VAL 30 1HG1 VAL 30 -2.018 0.309 6.310 209 HG12 VAL 30 2HG1 VAL 30 -2.417 -1.132 7.247 210 HG13 VAL 30 3HG1 VAL 30 -0.736 -0.622 7.084 211 HG21 VAL 30 3HG2 VAL 30 -3.136 -2.737 6.125 212 HG22 VAL 30 1HG2 VAL 30 -2.562 -3.246 4.537 213 HG23 VAL 30 2HG2 VAL 30 -1.592 -3.576 5.973 214 H HIS 31 H HIS 31 0.106 -0.264 2.993 215 HA HIS 31 HA HIS 31 0.505 2.341 4.114 216 HB2 HIS 31 1HB HIS 31 2.460 1.048 3.668 217 HB3 HIS 31 2HB HIS 31 1.975 0.767 1.999 218 HD1 HIS 31 HD1 HIS 31 3.310 3.482 4.247 219 HD2 HIS 31 HD2 HIS 31 2.757 2.705 0.204 220 HE1 HIS 31 HE1 HIS 31 4.523 5.322 3.037 221 H GLN 32 H GLN 32 -1.075 1.110 1.333 222 HA GLN 32 HA GLN 32 -0.902 3.572 -0.178 223 HB2 GLN 32 1HB GLN 32 -2.373 0.977 -0.620 224 HB3 GLN 32 2HB GLN 32 -2.549 2.361 -1.691 225 HG2 GLN 32 1HG GLN 32 -0.003 2.277 -1.911 226 HG3 GLN 32 2HG GLN 32 -0.128 0.670 -1.198 227 HE21 GLN 32 1HE2 GLN 32 0.492 1.890 -3.967 228 HE22 GLN 32 2HE2 GLN 32 -0.422 0.893 -5.042 229 H ARG 33 H ARG 33 -3.023 2.107 2.123 230 HA ARG 33 HA ARG 33 -5.464 3.258 1.566 231 HB2 ARG 33 1HB ARG 33 -4.219 2.854 4.292 232 HB3 ARG 33 2HB ARG 33 -5.931 3.102 3.979 233 HG2 ARG 33 1HG ARG 33 -5.918 1.019 2.618 234 HG3 ARG 33 2HG ARG 33 -4.253 0.753 3.137 235 HD2 ARG 33 1HD ARG 33 -5.036 0.797 5.491 236 HD3 ARG 33 2HD ARG 33 -6.692 0.923 4.901 237 HE ARG 33 HE ARG 33 -5.010 -1.430 4.894 238 HH11 ARG 33 1HH1 ARG 33 -7.869 0.114 3.644 239 HH12 ARG 33 2HH1 ARG 33 -8.635 -1.374 3.197 240 HH21 ARG 33 1HH2 ARG 33 -6.009 -3.396 4.310 241 HH22 ARG 33 2HH2 ARG 33 -7.577 -3.370 3.577 242 H THR 34 H THR 34 -2.684 4.683 3.215 243 HA THR 34 HA THR 34 -3.982 7.110 3.926 244 HB THR 34 HB THR 34 -1.926 6.311 5.050 245 HG1 THR 34 HG1 THR 34 -2.584 8.642 4.825 246 HG21 THR 34 3HG2 THR 34 0.113 6.119 4.034 247 HG22 THR 34 1HG2 THR 34 -0.245 7.358 2.832 248 HG23 THR 34 2HG2 THR 34 -0.922 5.738 2.658 249 H HIS 35 H HIS 35 -2.067 6.080 1.150 250 HA HIS 35 HA HIS 35 -1.757 8.606 -0.052 251 HB2 HIS 35 1HB HIS 35 -1.554 5.779 -0.964 252 HB3 HIS 35 2HB HIS 35 -1.684 7.026 -2.200 253 HD1 HIS 35 HD1 HIS 35 0.207 8.987 -1.980 254 HD2 HIS 35 HD2 HIS 35 0.966 5.395 -0.036 255 HE1 HIS 35 HE1 HIS 35 2.681 8.975 -1.531 256 H SER 36 H SER 36 -4.322 6.202 -0.222 257 HA SER 36 HA SER 36 -5.761 7.323 -2.364 258 HB2 SER 36 1HB SER 36 -6.215 5.061 -1.595 259 HB3 SER 36 2HB SER 36 -6.731 5.667 -0.021 260 HG SER 36 HG SER 36 -8.165 5.390 -2.268 261 H GLY 37 H GLY 37 -7.682 8.586 -2.358 262 HA2 GLY 37 1HA GLY 37 -9.165 9.731 -0.496 263 HA3 GLY 37 2HA GLY 37 -7.664 10.611 -0.252 264 H GLU 38 H GLU 38 -10.414 10.136 -2.313 265 HA GLU 38 HA GLU 38 -11.182 11.238 -4.161 266 HB2 GLU 38 1HB GLU 38 -9.992 13.396 -2.448 267 HB3 GLU 38 2HB GLU 38 -10.725 13.792 -3.996 268 HG2 GLU 38 1HG GLU 38 -12.157 12.275 -1.835 269 HG3 GLU 38 2HG GLU 38 -12.211 14.029 -1.992 270 H SER 39 H SER 39 -8.781 9.933 -4.669 271 HA SER 39 HA SER 39 -7.042 11.763 -6.097 272 HB2 SER 39 1HB SER 39 -6.066 9.874 -4.855 273 HB3 SER 39 2HB SER 39 -6.951 8.743 -5.879 274 HG SER 39 HG SER 39 -5.342 10.637 -7.142 275 H GLY 40 H GLY 40 -9.065 8.943 -6.916 276 HA2 GLY 40 1HA GLY 40 -9.226 10.013 -9.668 277 HA3 GLY 40 2HA GLY 40 -9.125 8.292 -9.324 278 HA PRO 41 HA PRO 41 -13.589 9.267 -9.883 279 HB2 PRO 41 1HB PRO 41 -14.142 6.975 -11.228 280 HB3 PRO 41 2HB PRO 41 -13.526 8.430 -12.021 281 HG2 PRO 41 1HG PRO 41 -12.048 5.974 -11.157 282 HG3 PRO 41 2HG PRO 41 -11.898 6.898 -12.663 283 HD2 PRO 41 1HD PRO 41 -10.150 7.160 -10.612 284 HD3 PRO 41 2HD PRO 41 -10.567 8.508 -11.689 285 H SER 42 H SER 42 -11.767 7.169 -8.083 286 HA SER 42 HA SER 42 -13.549 5.175 -7.277 287 HB2 SER 42 1HB SER 42 -11.205 6.498 -5.932 288 HB3 SER 42 2HB SER 42 -12.155 5.272 -5.094 289 HG SER 42 HG SER 42 -10.197 4.692 -6.512 290 H SER 43 H SER 43 -15.050 5.017 -5.643 291 HA SER 43 HA SER 43 -16.745 7.091 -5.121 292 HB2 SER 43 1HB SER 43 -17.352 4.796 -4.611 293 HB3 SER 43 2HB SER 43 -16.135 4.723 -3.336 294 HG SER 43 HG SER 43 -18.600 6.057 -3.380 295 H GLY 44 H GLY 44 -16.968 8.688 -3.609 296 HA2 GLY 44 1HA GLY 44 -15.051 8.882 -1.422 297 HA3 GLY 44 2HA GLY 44 -14.964 10.145 -2.641 Start of MODEL 20 1 H1 GLY 1 H GLY 1 27.089 13.576 3.033 2 HA2 GLY 1 1HA GLY 1 24.869 13.502 1.605 3 HA3 GLY 1 2HA GLY 1 26.047 13.567 0.302 4 H SER 2 H SER 2 24.404 11.453 0.337 5 HA SER 2 HA SER 2 26.206 9.260 0.545 6 HB2 SER 2 1HB SER 2 25.050 7.957 2.245 7 HB3 SER 2 2HB SER 2 25.565 9.496 2.935 8 HG SER 2 HG SER 2 23.012 8.541 2.413 9 H SER 3 H SER 3 25.350 7.315 -0.352 10 HA SER 3 HA SER 3 23.347 7.807 -2.349 11 HB2 SER 3 1HB SER 3 25.204 5.572 -1.680 12 HB3 SER 3 2HB SER 3 23.783 5.196 -2.653 13 HG SER 3 HG SER 3 24.550 6.371 -4.266 14 H GLY 4 H GLY 4 23.620 5.414 0.289 15 HA2 GLY 4 1HA GLY 4 22.000 4.479 1.629 16 HA3 GLY 4 2HA GLY 4 20.912 5.750 1.091 17 H SER 5 H SER 5 22.461 2.804 -0.186 18 HA SER 5 HA SER 5 19.987 1.581 -0.832 19 HB2 SER 5 1HB SER 5 20.269 1.609 -3.323 20 HB3 SER 5 2HB SER 5 19.878 3.185 -2.633 21 HG SER 5 HG SER 5 22.144 2.347 -3.939 22 H SER 6 H SER 6 20.234 -0.567 -1.335 23 HA SER 6 HA SER 6 22.871 -1.661 -0.903 24 HB2 SER 6 1HB SER 6 20.104 -2.789 -1.097 25 HB3 SER 6 2HB SER 6 21.486 -3.867 -1.285 26 HG SER 6 HG SER 6 20.937 -2.180 0.931 27 H GLY 7 H GLY 7 20.442 -1.752 -3.500 28 HA2 GLY 7 1HA GLY 7 22.232 -1.554 -5.610 29 HA3 GLY 7 2HA GLY 7 22.041 -3.272 -5.289 30 H THR 8 H THR 8 20.229 -4.311 -5.963 31 HA THR 8 HA THR 8 18.380 -2.730 -7.602 32 HB THR 8 HB THR 8 19.518 -4.615 -8.715 33 HG1 THR 8 HG1 THR 8 17.417 -5.699 -9.327 34 HG21 THR 8 3HG2 THR 8 19.793 -6.558 -7.664 35 HG22 THR 8 1HG2 THR 8 18.048 -6.806 -7.680 36 HG23 THR 8 2HG2 THR 8 18.810 -5.987 -6.317 37 H ARG 9 H ARG 9 16.091 -3.295 -7.580 38 HA ARG 9 HA ARG 9 14.867 -3.066 -5.158 39 HB2 ARG 9 1HB ARG 9 13.989 -4.102 -7.803 40 HB3 ARG 9 2HB ARG 9 12.938 -4.416 -6.428 41 HG2 ARG 9 1HG ARG 9 12.064 -2.435 -7.086 42 HG3 ARG 9 2HG ARG 9 13.334 -1.822 -6.025 43 HD2 ARG 9 1HD ARG 9 14.774 -1.909 -8.212 44 HD3 ARG 9 2HD ARG 9 13.201 -1.868 -9.005 45 HE ARG 9 HE ARG 9 13.591 0.170 -7.000 46 HH11 ARG 9 1HH1 ARG 9 13.924 -0.689 -10.357 47 HH12 ARG 9 2HH1 ARG 9 13.930 0.953 -10.912 48 HH21 ARG 9 1HH2 ARG 9 13.597 2.335 -7.717 49 HH22 ARG 9 2HH2 ARG 9 13.745 2.672 -9.409 50 H GLU 10 H GLU 10 14.469 -4.330 -3.454 51 HA GLU 10 HA GLU 10 15.186 -7.169 -3.655 52 HB2 GLU 10 1HB GLU 10 14.849 -5.449 -1.192 53 HB3 GLU 10 2HB GLU 10 15.411 -7.115 -1.220 54 HG2 GLU 10 1HG GLU 10 17.428 -6.517 -2.294 55 HG3 GLU 10 2HG GLU 10 16.838 -4.894 -2.650 56 H LYS 11 H LYS 11 12.691 -5.020 -2.329 57 HA LYS 11 HA LYS 11 10.947 -7.254 -1.732 58 HB2 LYS 11 1HB LYS 11 10.913 -4.320 -1.253 59 HB3 LYS 11 2HB LYS 11 9.358 -5.137 -1.332 60 HG2 LYS 11 1HG LYS 11 9.737 -6.345 0.577 61 HG3 LYS 11 2HG LYS 11 11.492 -6.279 0.400 62 HD2 LYS 11 1HD LYS 11 11.447 -3.892 0.980 63 HD3 LYS 11 2HD LYS 11 9.696 -3.981 1.181 64 HE2 LYS 11 1HE LYS 11 9.855 -5.267 3.102 65 HE3 LYS 11 2HE LYS 11 11.480 -5.829 2.712 66 HZ1 LYS 11 3HZ LYS 11 12.011 -4.305 4.272 67 HZ2 LYS 11 1HZ LYS 11 10.629 -3.365 4.011 68 HZ3 LYS 11 2HZ LYS 11 11.946 -3.243 2.957 69 HA PRO 12 HA PRO 12 8.978 -7.306 -5.686 70 HB2 PRO 12 1HB PRO 12 6.784 -8.742 -4.984 71 HB3 PRO 12 2HB PRO 12 8.384 -9.467 -5.182 72 HG2 PRO 12 1HG PRO 12 6.978 -8.634 -2.673 73 HG3 PRO 12 2HG PRO 12 7.918 -10.104 -2.994 74 HD2 PRO 12 1HD PRO 12 8.937 -7.989 -1.645 75 HD3 PRO 12 2HD PRO 12 9.935 -9.035 -2.675 76 H TYR 13 H TYR 13 6.834 -6.726 -2.891 77 HA TYR 13 HA TYR 13 4.963 -5.218 -4.450 78 HB2 TYR 13 1HB TYR 13 5.244 -5.523 -1.454 79 HB3 TYR 13 2HB TYR 13 3.884 -4.755 -2.265 80 HD1 TYR 13 HD2 TYR 13 2.372 -6.128 -3.697 81 HD2 TYR 13 HD1 TYR 13 5.399 -7.890 -1.280 82 HE1 TYR 13 HE2 TYR 13 1.253 -8.309 -3.894 83 HE2 TYR 13 HE1 TYR 13 4.288 -10.076 -1.472 84 HH TYR 13 HH TYR 13 1.584 -10.579 -3.626 85 H GLU 14 H GLU 14 5.011 -3.124 -4.928 86 HA GLU 14 HA GLU 14 6.626 -1.320 -3.264 87 HB2 GLU 14 1HB GLU 14 6.902 -1.890 -6.155 88 HB3 GLU 14 2HB GLU 14 6.971 -0.194 -5.695 89 HG2 GLU 14 1HG GLU 14 8.943 -0.422 -4.597 90 HG3 GLU 14 2HG GLU 14 8.623 -2.093 -4.138 91 H CYS 15 H CYS 15 5.849 0.757 -3.040 92 HA CYS 15 HA CYS 15 3.046 1.103 -3.475 93 HB2 CYS 15 1HB CYS 15 4.252 2.006 -1.495 94 HB3 CYS 15 2HB CYS 15 5.087 3.138 -2.555 95 H SER 16 H SER 16 2.048 1.957 -5.172 96 HA SER 16 HA SER 16 3.595 2.992 -7.378 97 HB2 SER 16 1HB SER 16 1.550 1.468 -7.573 98 HB3 SER 16 2HB SER 16 0.584 2.896 -7.203 99 HG SER 16 HG SER 16 1.124 3.778 -9.094 100 H GLU 17 H GLU 17 3.146 4.461 -4.717 101 HA GLU 17 HA GLU 17 2.169 6.987 -5.879 102 HB2 GLU 17 1HB GLU 17 2.265 6.360 -2.934 103 HB3 GLU 17 2HB GLU 17 1.402 7.664 -3.737 104 HG2 GLU 17 1HG GLU 17 0.696 4.866 -4.439 105 HG3 GLU 17 2HG GLU 17 0.167 5.505 -2.883 106 H CYS 18 H CYS 18 4.460 5.651 -3.506 107 HA CYS 18 HA CYS 18 6.202 7.973 -4.011 108 HB2 CYS 18 1HB CYS 18 7.183 7.537 -1.784 109 HB3 CYS 18 2HB CYS 18 5.459 7.885 -1.694 110 H GLY 19 H GLY 19 6.077 4.471 -3.616 111 HA2 GLY 19 1HA GLY 19 7.479 3.217 -5.226 112 HA3 GLY 19 2HA GLY 19 8.774 4.333 -4.819 113 H LYS 20 H LYS 20 6.953 3.589 -2.103 114 HA LYS 20 HA LYS 20 8.987 2.445 -0.653 115 HB2 LYS 20 1HB LYS 20 6.570 3.260 0.020 116 HB3 LYS 20 2HB LYS 20 6.184 1.550 -0.123 117 HG2 LYS 20 1HG LYS 20 7.525 0.961 1.657 118 HG3 LYS 20 2HG LYS 20 8.524 2.410 1.519 119 HD2 LYS 20 1HD LYS 20 6.967 3.743 2.593 120 HD3 LYS 20 2HD LYS 20 5.625 2.662 2.209 121 HE2 LYS 20 1HE LYS 20 5.908 2.212 4.440 122 HE3 LYS 20 2HE LYS 20 6.956 0.986 3.727 123 HZ1 LYS 20 3HZ LYS 20 8.391 1.851 5.224 124 HZ2 LYS 20 1HZ LYS 20 7.656 3.374 5.246 125 HZ3 LYS 20 2HZ LYS 20 8.690 2.953 3.976 126 H ALA 21 H ALA 21 8.677 0.134 0.407 127 HA ALA 21 HA ALA 21 8.100 -1.858 -1.663 128 HB1 ALA 21 3HB ALA 21 10.215 -2.460 -1.963 129 HB2 ALA 21 1HB ALA 21 10.704 -1.070 -0.994 130 HB3 ALA 21 2HB ALA 21 10.460 -2.639 -0.226 131 H PHE 22 H PHE 22 7.715 -3.979 -0.859 132 HA PHE 22 HA PHE 22 7.603 -4.377 2.011 133 HB2 PHE 22 1HB PHE 22 5.085 -4.562 0.344 134 HB3 PHE 22 2HB PHE 22 5.227 -4.910 2.064 135 HD1 PHE 22 HD1 PHE 22 5.308 -2.240 -0.470 136 HD2 PHE 22 HD2 PHE 22 5.193 -3.176 3.680 137 HE1 PHE 22 HE1 PHE 22 4.791 0.110 0.041 138 HE2 PHE 22 HE2 PHE 22 4.674 -0.828 4.199 139 HZ PHE 22 HZ PHE 22 4.471 0.819 2.378 140 H ILE 23 H ILE 23 6.673 -6.633 2.485 141 HA ILE 23 HA ILE 23 7.892 -8.482 0.570 142 HB ILE 23 HB ILE 23 7.006 -8.994 3.412 143 HG12 ILE 23 1HG1 ILE 23 9.863 -8.881 2.518 144 HG13 ILE 23 2HG1 ILE 23 9.009 -7.381 2.863 145 HG21 ILE 23 1HG2 ILE 23 7.113 -10.926 1.726 146 HG22 ILE 23 2HG2 ILE 23 8.860 -10.701 1.789 147 HG23 ILE 23 3HG2 ILE 23 7.971 -11.113 3.255 148 HD11 ILE 23 3HD1 ILE 23 9.333 -9.672 4.786 149 HD12 ILE 23 1HD1 ILE 23 10.299 -8.197 4.777 150 HD13 ILE 23 2HD1 ILE 23 8.571 -8.118 5.122 151 H ARG 24 H ARG 24 4.874 -7.897 2.308 152 HA ARG 24 HA ARG 24 3.555 -9.818 0.503 153 HB2 ARG 24 1HB ARG 24 2.837 -9.171 3.368 154 HB3 ARG 24 2HB ARG 24 1.911 -10.223 2.306 155 HG2 ARG 24 1HG ARG 24 4.793 -10.792 2.854 156 HG3 ARG 24 2HG ARG 24 3.545 -11.264 4.010 157 HD2 ARG 24 1HD ARG 24 3.377 -11.992 1.101 158 HD3 ARG 24 2HD ARG 24 4.256 -12.988 2.261 159 HE ARG 24 HE ARG 24 1.399 -12.732 2.000 160 HH11 ARG 24 1HH1 ARG 24 4.032 -13.595 4.109 161 HH12 ARG 24 2HH1 ARG 24 3.060 -14.613 5.119 162 HH21 ARG 24 1HH2 ARG 24 0.110 -14.070 3.323 163 HH22 ARG 24 2HH2 ARG 24 0.830 -14.883 4.671 164 H ASN 25 H ASN 25 1.779 -9.138 -0.577 165 HA ASN 25 HA ASN 25 1.300 -6.537 -1.179 166 HB2 ASN 25 1HB ASN 25 0.220 -8.795 -2.053 167 HB3 ASN 25 2HB ASN 25 -1.095 -8.311 -0.985 168 HD21 ASN 25 1HD2 ASN 25 -0.819 -5.517 -1.317 169 HD22 ASN 25 2HD2 ASN 25 -1.330 -5.125 -2.920 170 H SER 26 H SER 26 -0.515 -8.390 1.267 171 HA SER 26 HA SER 26 -2.283 -6.590 2.201 172 HB2 SER 26 1HB SER 26 -0.514 -8.397 3.863 173 HB3 SER 26 2HB SER 26 -1.941 -7.567 4.485 174 HG SER 26 HG SER 26 -3.220 -8.851 3.327 175 H GLN 27 H GLN 27 1.180 -6.582 2.884 176 HA GLN 27 HA GLN 27 1.160 -4.481 4.765 177 HB2 GLN 27 1HB GLN 27 3.425 -5.161 2.890 178 HB3 GLN 27 2HB GLN 27 3.535 -4.388 4.466 179 HG2 GLN 27 1HG GLN 27 2.386 -6.648 5.235 180 HG3 GLN 27 2HG GLN 27 3.166 -7.242 3.770 181 HE21 GLN 27 1HE2 GLN 27 3.589 -7.432 6.831 182 HE22 GLN 27 2HE2 GLN 27 5.296 -7.217 6.996 183 H LEU 28 H LEU 28 1.884 -4.473 1.277 184 HA LEU 28 HA LEU 28 2.350 -1.756 0.969 185 HB2 LEU 28 1HB LEU 28 2.859 -3.202 -0.826 186 HB3 LEU 28 2HB LEU 28 1.207 -3.814 -0.897 187 HG LEU 28 HG LEU 28 0.431 -1.724 -1.831 188 HD11 LEU 28 1HD1 LEU 28 1.746 0.171 -2.158 189 HD12 LEU 28 2HD1 LEU 28 3.252 -0.715 -1.917 190 HD13 LEU 28 3HD1 LEU 28 2.197 -0.379 -0.544 191 HD21 LEU 28 3HD2 LEU 28 2.530 -3.330 -3.079 192 HD22 LEU 28 1HD2 LEU 28 2.328 -1.733 -3.799 193 HD23 LEU 28 2HD2 LEU 28 0.955 -2.836 -3.701 194 H ILE 29 H ILE 29 -0.721 -3.488 0.425 195 HA ILE 29 HA ILE 29 -2.372 -1.416 -0.212 196 HB ILE 29 HB ILE 29 -3.042 -3.721 1.622 197 HG12 ILE 29 1HG1 ILE 29 -3.621 -3.469 -1.327 198 HG13 ILE 29 2HG1 ILE 29 -2.135 -4.195 -0.724 199 HG21 ILE 29 1HG2 ILE 29 -4.861 -1.891 0.062 200 HG22 ILE 29 2HG2 ILE 29 -5.368 -3.324 0.953 201 HG23 ILE 29 3HG2 ILE 29 -4.689 -1.944 1.816 202 HD11 ILE 29 3HD1 ILE 29 -3.366 -5.926 0.382 203 HD12 ILE 29 1HD1 ILE 29 -4.898 -5.151 -0.022 204 HD13 ILE 29 2HD1 ILE 29 -3.891 -5.834 -1.299 205 H VAL 30 H VAL 30 -1.569 -2.480 3.089 206 HA VAL 30 HA VAL 30 -3.094 -0.633 4.498 207 HB VAL 30 HB VAL 30 -0.415 -1.803 5.257 208 HG11 VAL 30 1HG1 VAL 30 -1.100 0.264 6.519 209 HG12 VAL 30 2HG1 VAL 30 -2.494 -0.648 7.103 210 HG13 VAL 30 3HG1 VAL 30 -0.860 -1.179 7.504 211 HG21 VAL 30 3HG2 VAL 30 -3.053 -2.714 6.323 212 HG22 VAL 30 1HG2 VAL 30 -2.501 -3.284 4.748 213 HG23 VAL 30 2HG2 VAL 30 -1.532 -3.596 6.188 214 H HIS 31 H HIS 31 0.057 -0.281 2.990 215 HA HIS 31 HA HIS 31 0.507 2.337 4.125 216 HB2 HIS 31 1HB HIS 31 2.434 0.935 3.700 217 HB3 HIS 31 2HB HIS 31 1.992 0.775 2.003 218 HD1 HIS 31 HD1 HIS 31 3.530 3.155 4.440 219 HD2 HIS 31 HD2 HIS 31 2.668 2.953 0.381 220 HE1 HIS 31 HE1 HIS 31 4.771 5.076 3.393 221 H GLN 32 H GLN 32 -1.088 1.035 1.397 222 HA GLN 32 HA GLN 32 -0.896 3.457 -0.186 223 HB2 GLN 32 1HB GLN 32 -2.386 0.864 -0.595 224 HB3 GLN 32 2HB GLN 32 -2.469 2.215 -1.717 225 HG2 GLN 32 1HG GLN 32 0.044 2.059 -1.891 226 HG3 GLN 32 2HG GLN 32 -0.084 0.530 -1.023 227 HE21 GLN 32 1HE2 GLN 32 0.365 1.690 -3.957 228 HE22 GLN 32 2HE2 GLN 32 -0.435 0.498 -4.918 229 H ARG 33 H ARG 33 -2.944 2.133 2.217 230 HA ARG 33 HA ARG 33 -5.421 3.225 1.573 231 HB2 ARG 33 1HB ARG 33 -4.172 2.806 4.294 232 HB3 ARG 33 2HB ARG 33 -5.874 3.152 4.019 233 HG2 ARG 33 1HG ARG 33 -5.886 1.060 2.559 234 HG3 ARG 33 2HG ARG 33 -4.327 0.689 3.299 235 HD2 ARG 33 1HD ARG 33 -6.023 -0.445 4.543 236 HD3 ARG 33 2HD ARG 33 -5.423 0.887 5.530 237 HE ARG 33 HE ARG 33 -8.056 0.664 4.307 238 HH11 ARG 33 1HH1 ARG 33 -5.757 2.593 6.072 239 HH12 ARG 33 2HH1 ARG 33 -6.946 3.710 6.656 240 HH21 ARG 33 1HH2 ARG 33 -9.631 2.128 5.070 241 HH22 ARG 33 2HH2 ARG 33 -9.149 3.444 6.086 242 H THR 34 H THR 34 -2.610 4.694 3.092 243 HA THR 34 HA THR 34 -3.967 7.153 3.715 244 HB THR 34 HB THR 34 -2.043 6.359 5.057 245 HG1 THR 34 HG1 THR 34 -1.498 8.834 3.752 246 HG21 THR 34 3HG2 THR 34 -0.762 5.499 3.054 247 HG22 THR 34 1HG2 THR 34 0.186 6.405 4.232 248 HG23 THR 34 2HG2 THR 34 -0.315 7.173 2.726 249 H HIS 35 H HIS 35 -2.217 5.858 1.023 250 HA HIS 35 HA HIS 35 -1.697 8.419 -0.199 251 HB2 HIS 35 1HB HIS 35 -1.207 5.567 -0.909 252 HB3 HIS 35 2HB HIS 35 -1.259 6.740 -2.222 253 HD1 HIS 35 HD1 HIS 35 0.436 8.880 -1.802 254 HD2 HIS 35 HD2 HIS 35 1.228 5.355 0.249 255 HE1 HIS 35 HE1 HIS 35 2.839 9.047 -1.081 256 H SER 36 H SER 36 -4.493 7.091 0.395 257 HA SER 36 HA SER 36 -5.713 7.036 -2.211 258 HB2 SER 36 1HB SER 36 -6.435 5.717 -0.108 259 HB3 SER 36 2HB SER 36 -7.219 7.216 0.391 260 HG SER 36 HG SER 36 -8.705 6.010 -0.746 261 H GLY 37 H GLY 37 -5.789 9.226 0.589 262 HA2 GLY 37 1HA GLY 37 -7.272 11.194 -0.993 263 HA3 GLY 37 2HA GLY 37 -6.968 11.272 0.737 264 H GLU 38 H GLU 38 -5.546 11.735 -2.447 265 HA GLU 38 HA GLU 38 -3.487 13.432 -1.195 266 HB2 GLU 38 1HB GLU 38 -2.763 11.278 -2.427 267 HB3 GLU 38 2HB GLU 38 -3.171 12.151 -3.897 268 HG2 GLU 38 1HG GLU 38 -1.616 13.989 -2.813 269 HG3 GLU 38 2HG GLU 38 -0.946 12.584 -1.984 270 H SER 39 H SER 39 -3.295 15.491 -1.881 271 HA SER 39 HA SER 39 -5.390 16.636 -3.418 272 HB2 SER 39 1HB SER 39 -4.103 17.784 -1.569 273 HB3 SER 39 2HB SER 39 -2.762 17.949 -2.702 274 HG SER 39 HG SER 39 -4.136 19.802 -2.645 275 H GLY 40 H GLY 40 -5.457 15.878 -5.495 276 HA2 GLY 40 1HA GLY 40 -4.084 17.117 -7.508 277 HA3 GLY 40 2HA GLY 40 -3.108 15.703 -7.139 278 HA PRO 41 HA PRO 41 -7.116 14.780 -9.698 279 HB2 PRO 41 1HB PRO 41 -6.438 15.555 -12.210 280 HB3 PRO 41 2HB PRO 41 -7.296 16.607 -11.079 281 HG2 PRO 41 1HG PRO 41 -4.383 16.540 -11.766 282 HG3 PRO 41 2HG PRO 41 -5.450 17.940 -11.552 283 HD2 PRO 41 1HD PRO 41 -3.740 17.103 -9.626 284 HD3 PRO 41 2HD PRO 41 -5.303 17.860 -9.253 285 H SER 42 H SER 42 -6.214 12.700 -9.167 286 HA SER 42 HA SER 42 -4.435 11.592 -11.235 287 HB2 SER 42 1HB SER 42 -4.769 11.029 -8.322 288 HB3 SER 42 2HB SER 42 -4.294 9.698 -9.377 289 HG SER 42 HG SER 42 -2.933 12.114 -9.658 290 H SER 43 H SER 43 -5.252 10.175 -12.622 291 HA SER 43 HA SER 43 -7.851 8.944 -11.989 292 HB2 SER 43 1HB SER 43 -8.049 10.371 -13.910 293 HB3 SER 43 2HB SER 43 -6.607 9.673 -14.647 294 HG SER 43 HG SER 43 -8.770 8.901 -15.379 295 H GLY 44 H GLY 44 -4.925 8.282 -13.929 296 HA2 GLY 44 1HA GLY 44 -5.168 5.645 -14.453 297 HA3 GLY 44 2HA GLY 44 -3.629 6.366 -14.007
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