NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
505186 | 2eow | 10207 | 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 -12.876 6.986 16.902 2 HA2 GLY 1 1HA GLY 1 -11.894 6.167 14.832 3 HA3 GLY 1 2HA GLY 1 -13.328 6.742 13.996 4 H SER 2 H SER 2 -12.131 7.991 12.549 5 HA SER 2 HA SER 2 -11.409 10.601 13.564 6 HB2 SER 2 1HB SER 2 -9.347 8.973 12.059 7 HB3 SER 2 2HB SER 2 -9.155 10.621 12.656 8 HG SER 2 HG SER 2 -8.497 9.749 14.438 9 H SER 3 H SER 3 -11.101 12.175 11.863 10 HA SER 3 HA SER 3 -12.791 11.604 9.588 11 HB2 SER 3 1HB SER 3 -12.623 13.997 9.117 12 HB3 SER 3 2HB SER 3 -12.997 13.739 10.821 13 HG SER 3 HG SER 3 -10.413 14.250 9.758 14 H GLY 4 H GLY 4 -9.404 11.951 10.270 15 HA2 GLY 4 1HA GLY 4 -7.533 11.838 8.938 16 HA3 GLY 4 2HA GLY 4 -8.490 10.712 7.987 17 H SER 5 H SER 5 -8.778 14.219 8.520 18 HA SER 5 HA SER 5 -8.382 14.609 5.632 19 HB2 SER 5 1HB SER 5 -10.481 16.036 7.280 20 HB3 SER 5 2HB SER 5 -10.211 16.196 5.545 21 HG SER 5 HG SER 5 -11.899 14.774 5.857 22 H SER 6 H SER 6 -6.611 15.795 5.407 23 HA SER 6 HA SER 6 -6.215 18.080 7.223 24 HB2 SER 6 1HB SER 6 -4.147 16.154 6.150 25 HB3 SER 6 2HB SER 6 -3.736 17.699 6.896 26 HG SER 6 HG SER 6 -5.274 16.707 8.634 27 H GLY 7 H GLY 7 -7.023 19.627 5.849 28 HA2 GLY 7 1HA GLY 7 -7.051 21.108 4.095 29 HA3 GLY 7 2HA GLY 7 -5.328 20.785 3.975 30 H THR 8 H THR 8 -4.823 20.362 1.937 31 HA THR 8 HA THR 8 -6.702 19.330 0.053 32 HB THR 8 HB THR 8 -4.876 20.867 -0.602 33 HG1 THR 8 HG1 THR 8 -4.114 19.300 -2.390 34 HG21 THR 8 3HG2 THR 8 -3.191 18.539 0.244 35 HG22 THR 8 1HG2 THR 8 -2.987 20.253 0.604 36 HG23 THR 8 2HG2 THR 8 -2.622 19.641 -1.009 37 H GLY 9 H GLY 9 -6.413 17.368 -1.214 38 HA2 GLY 9 1HA GLY 9 -4.665 15.286 -0.487 39 HA3 GLY 9 2HA GLY 9 -6.181 15.070 0.376 40 H GLU 10 H GLU 10 -4.730 15.329 -2.828 41 HA GLU 10 HA GLU 10 -7.159 14.356 -4.095 42 HB2 GLU 10 1HB GLU 10 -6.004 14.705 -6.190 43 HB3 GLU 10 2HB GLU 10 -5.801 16.124 -5.172 44 HG2 GLU 10 1HG GLU 10 -3.577 14.992 -4.473 45 HG3 GLU 10 2HG GLU 10 -3.797 14.054 -5.948 46 H LYS 11 H LYS 11 -7.513 12.321 -4.757 47 HA LYS 11 HA LYS 11 -5.380 10.354 -4.270 48 HB2 LYS 11 1HB LYS 11 -7.342 8.712 -4.281 49 HB3 LYS 11 2HB LYS 11 -7.212 9.799 -2.905 50 HG2 LYS 11 1HG LYS 11 -8.986 11.144 -3.667 51 HG3 LYS 11 2HG LYS 11 -8.956 10.408 -5.272 52 HD2 LYS 11 1HD LYS 11 -10.734 9.288 -4.381 53 HD3 LYS 11 2HD LYS 11 -9.432 8.211 -3.868 54 HE2 LYS 11 1HE LYS 11 -10.659 8.493 -1.922 55 HE3 LYS 11 2HE LYS 11 -9.371 9.684 -1.744 56 HZ1 LYS 11 3HZ LYS 11 -12.225 10.098 -2.265 57 HZ2 LYS 11 1HZ LYS 11 -11.126 11.217 -2.899 58 HZ3 LYS 11 2HZ LYS 11 -11.185 10.941 -1.231 59 HA PRO 12 HA PRO 12 -5.765 10.479 -8.864 60 HB2 PRO 12 1HB PRO 12 -3.114 10.101 -9.310 61 HB3 PRO 12 2HB PRO 12 -3.821 11.694 -9.017 62 HG2 PRO 12 1HG PRO 12 -2.384 9.881 -7.117 63 HG3 PRO 12 2HG PRO 12 -2.234 11.636 -7.319 64 HD2 PRO 12 1HD PRO 12 -3.691 10.517 -5.329 65 HD3 PRO 12 2HD PRO 12 -4.127 12.067 -6.077 66 H TYR 13 H TYR 13 -3.863 8.307 -6.800 67 HA TYR 13 HA TYR 13 -4.488 6.100 -8.647 68 HB2 TYR 13 1HB TYR 13 -2.199 6.538 -6.740 69 HB3 TYR 13 2HB TYR 13 -2.586 4.937 -7.360 70 HD1 TYR 13 HD2 TYR 13 -2.421 4.492 -9.806 71 HD2 TYR 13 HD1 TYR 13 -1.077 8.146 -8.089 72 HE1 TYR 13 HE2 TYR 13 -1.109 4.957 -11.834 73 HE2 TYR 13 HE1 TYR 13 0.237 8.621 -10.113 74 HH TYR 13 HH TYR 13 0.994 6.360 -12.386 75 H LYS 14 H LYS 14 -5.623 4.379 -7.948 76 HA LYS 14 HA LYS 14 -6.243 4.203 -5.076 77 HB2 LYS 14 1HB LYS 14 -8.176 5.171 -6.159 78 HB3 LYS 14 2HB LYS 14 -8.164 3.917 -7.392 79 HG2 LYS 14 1HG LYS 14 -9.893 3.360 -5.894 80 HG3 LYS 14 2HG LYS 14 -8.564 2.254 -5.541 81 HD2 LYS 14 1HD LYS 14 -9.349 2.978 -3.442 82 HD3 LYS 14 2HD LYS 14 -7.875 3.904 -3.732 83 HE2 LYS 14 1HE LYS 14 -9.542 5.392 -2.870 84 HE3 LYS 14 2HE LYS 14 -9.289 5.770 -4.574 85 HZ1 LYS 14 3HZ LYS 14 -11.305 4.771 -5.161 86 HZ2 LYS 14 1HZ LYS 14 -11.669 5.652 -3.763 87 HZ3 LYS 14 2HZ LYS 14 -11.463 3.976 -3.677 88 H CYS 15 H CYS 15 -5.894 2.261 -4.214 89 HA CYS 15 HA CYS 15 -4.958 0.106 -5.867 90 HB2 CYS 15 1HB CYS 15 -4.038 0.663 -3.592 91 HB3 CYS 15 2HB CYS 15 -5.538 0.051 -2.902 92 H ASN 16 H ASN 16 -6.329 -1.137 -6.956 93 HA ASN 16 HA ASN 16 -9.052 -1.513 -6.081 94 HB2 ASN 16 1HB ASN 16 -9.037 -3.087 -8.159 95 HB3 ASN 16 2HB ASN 16 -8.923 -1.346 -8.400 96 HD21 ASN 16 1HD2 ASN 16 -6.733 -4.060 -7.727 97 HD22 ASN 16 2HD2 ASN 16 -5.549 -3.614 -8.903 98 H GLU 17 H GLU 17 -7.249 -2.513 -4.203 99 HA GLU 17 HA GLU 17 -7.871 -5.383 -4.337 100 HB2 GLU 17 1HB GLU 17 -5.299 -4.230 -3.246 101 HB3 GLU 17 2HB GLU 17 -5.730 -5.932 -3.328 102 HG2 GLU 17 1HG GLU 17 -5.707 -4.375 -5.854 103 HG3 GLU 17 2HG GLU 17 -4.162 -4.801 -5.119 104 H CYS 18 H CYS 18 -7.249 -2.539 -2.369 105 HA CYS 18 HA CYS 18 -8.808 -3.775 -0.207 106 HB2 CYS 18 1HB CYS 18 -7.297 -2.634 1.438 107 HB3 CYS 18 2HB CYS 18 -6.531 -3.938 0.536 108 H GLY 19 H GLY 19 -7.417 -0.727 -1.417 109 HA2 GLY 19 1HA GLY 19 -9.295 0.909 -1.989 110 HA3 GLY 19 2HA GLY 19 -9.758 0.682 -0.308 111 H LYS 20 H LYS 20 -6.427 0.811 -1.379 112 HA LYS 20 HA LYS 20 -5.977 3.095 0.358 113 HB2 LYS 20 1HB LYS 20 -4.215 1.138 -1.070 114 HB3 LYS 20 2HB LYS 20 -3.539 2.656 -0.494 115 HG2 LYS 20 1HG LYS 20 -5.127 1.017 1.407 116 HG3 LYS 20 2HG LYS 20 -3.502 0.475 0.980 117 HD2 LYS 20 1HD LYS 20 -2.994 1.807 2.762 118 HD3 LYS 20 2HD LYS 20 -2.926 3.014 1.476 119 HE2 LYS 20 1HE LYS 20 -5.089 3.828 2.008 120 HE3 LYS 20 2HE LYS 20 -5.419 2.458 3.067 121 HZ1 LYS 20 3HZ LYS 20 -4.741 3.783 4.702 122 HZ2 LYS 20 1HZ LYS 20 -4.070 4.917 3.641 123 HZ3 LYS 20 2HZ LYS 20 -3.168 3.568 4.117 124 H ALA 21 H ALA 21 -4.774 4.971 -0.352 125 HA ALA 21 HA ALA 21 -4.971 5.525 -3.232 126 HB1 ALA 21 3HB ALA 21 -6.876 6.629 -2.490 127 HB2 ALA 21 1HB ALA 21 -6.114 7.140 -0.984 128 HB3 ALA 21 2HB ALA 21 -5.656 7.902 -2.507 129 H PHE 22 H PHE 22 -3.063 6.122 -3.998 130 HA PHE 22 HA PHE 22 -1.142 7.392 -2.164 131 HB2 PHE 22 1HB PHE 22 -0.533 5.873 -4.707 132 HB3 PHE 22 2HB PHE 22 0.634 6.477 -3.535 133 HD1 PHE 22 HD2 PHE 22 -2.120 4.054 -4.013 134 HD2 PHE 22 HD1 PHE 22 1.239 5.202 -1.665 135 HE1 PHE 22 HE2 PHE 22 -2.241 1.916 -2.801 136 HE2 PHE 22 HE1 PHE 22 1.124 3.066 -0.449 137 HZ PHE 22 HZ PHE 22 -0.618 1.420 -1.016 138 H ARG 23 H ARG 23 0.511 8.783 -3.377 139 HA ARG 23 HA ARG 23 -0.983 10.755 -4.888 140 HB2 ARG 23 1HB ARG 23 1.683 10.680 -3.539 141 HB3 ARG 23 2HB ARG 23 1.394 11.889 -4.782 142 HG2 ARG 23 1HG ARG 23 0.750 13.073 -2.957 143 HG3 ARG 23 2HG ARG 23 -0.791 12.310 -3.354 144 HD2 ARG 23 1HD ARG 23 -0.538 11.987 -1.045 145 HD3 ARG 23 2HD ARG 23 -0.086 10.444 -1.770 146 HE ARG 23 HE ARG 23 2.274 11.769 -1.539 147 HH11 ARG 23 1HH1 ARG 23 -0.286 10.966 0.679 148 HH12 ARG 23 2HH1 ARG 23 0.762 10.863 2.055 149 HH21 ARG 23 1HH2 ARG 23 3.664 11.636 0.264 150 HH22 ARG 23 2HH2 ARG 23 3.008 11.245 1.818 151 H ALA 24 H ALA 24 1.681 8.508 -5.380 152 HA ALA 24 HA ALA 24 1.474 9.007 -8.271 153 HB1 ALA 24 3HB ALA 24 4.117 8.359 -7.028 154 HB2 ALA 24 1HB ALA 24 3.768 9.109 -8.586 155 HB3 ALA 24 2HB ALA 24 3.540 10.024 -7.095 156 H ARG 25 H ARG 25 2.756 7.173 -9.465 157 HA ARG 25 HA ARG 25 1.435 4.745 -8.874 158 HB2 ARG 25 1HB ARG 25 2.433 5.692 -11.121 159 HB3 ARG 25 2HB ARG 25 3.866 4.809 -10.611 160 HG2 ARG 25 1HG ARG 25 2.811 2.749 -10.770 161 HG3 ARG 25 2HG ARG 25 1.198 3.462 -10.698 162 HD2 ARG 25 1HD ARG 25 1.618 2.733 -12.946 163 HD3 ARG 25 2HD ARG 25 1.616 4.496 -12.915 164 HE ARG 25 HE ARG 25 4.243 3.757 -12.597 165 HH11 ARG 25 1HH1 ARG 25 1.759 3.254 -14.983 166 HH12 ARG 25 2HH1 ARG 25 2.870 3.149 -16.308 167 HH21 ARG 25 1HH2 ARG 25 5.717 3.621 -14.334 168 HH22 ARG 25 2HH2 ARG 25 5.121 3.357 -15.937 169 H SER 26 H SER 26 4.932 5.467 -8.877 170 HA SER 26 HA SER 26 5.995 3.206 -7.895 171 HB2 SER 26 1HB SER 26 7.090 5.535 -8.314 172 HB3 SER 26 2HB SER 26 6.818 5.783 -6.589 173 HG SER 26 HG SER 26 8.046 3.417 -7.461 174 H SER 27 H SER 27 4.386 5.675 -5.923 175 HA SER 27 HA SER 27 4.805 4.441 -3.429 176 HB2 SER 27 1HB SER 27 2.564 6.285 -4.296 177 HB3 SER 27 2HB SER 27 2.972 5.890 -2.627 178 HG SER 27 HG SER 27 3.954 7.837 -4.029 179 H LEU 28 H LEU 28 2.249 4.106 -5.833 180 HA LEU 28 HA LEU 28 0.572 2.458 -4.223 181 HB2 LEU 28 1HB LEU 28 -0.480 3.611 -5.978 182 HB3 LEU 28 2HB LEU 28 0.706 3.062 -7.160 183 HG LEU 28 HG LEU 28 -0.252 0.721 -6.760 184 HD11 LEU 28 1HD1 LEU 28 -2.569 2.324 -5.695 185 HD12 LEU 28 2HD1 LEU 28 -1.482 1.361 -4.696 186 HD13 LEU 28 3HD1 LEU 28 -2.487 0.576 -5.914 187 HD21 LEU 28 3HD2 LEU 28 -0.991 2.835 -8.476 188 HD22 LEU 28 1HD2 LEU 28 -2.475 2.009 -8.004 189 HD23 LEU 28 2HD2 LEU 28 -1.159 1.100 -8.748 190 H ALA 29 H ALA 29 2.961 1.809 -6.760 191 HA ALA 29 HA ALA 29 2.621 -0.943 -6.983 192 HB1 ALA 29 3HB ALA 29 4.008 0.460 -8.485 193 HB2 ALA 29 1HB ALA 29 5.232 0.544 -7.218 194 HB3 ALA 29 2HB ALA 29 4.822 -1.009 -7.947 195 H ILE 30 H ILE 30 5.122 0.731 -5.059 196 HA ILE 30 HA ILE 30 6.296 -1.323 -3.766 197 HB ILE 30 HB ILE 30 5.436 1.261 -2.459 198 HG12 ILE 30 1HG1 ILE 30 8.147 0.612 -3.597 199 HG13 ILE 30 2HG1 ILE 30 6.874 1.305 -4.596 200 HG21 ILE 30 1HG2 ILE 30 7.887 -0.069 -1.551 201 HG22 ILE 30 2HG2 ILE 30 6.617 0.731 -0.625 202 HG23 ILE 30 3HG2 ILE 30 6.395 -0.931 -1.173 203 HD11 ILE 30 3HD1 ILE 30 6.764 3.238 -3.122 204 HD12 ILE 30 1HD1 ILE 30 8.027 2.541 -2.107 205 HD13 ILE 30 2HD1 ILE 30 8.389 3.013 -3.768 206 H HIS 31 H HIS 31 3.124 0.024 -3.018 207 HA HIS 31 HA HIS 31 2.711 -1.563 -0.681 208 HB2 HIS 31 1HB HIS 31 1.409 0.373 -0.718 209 HB3 HIS 31 2HB HIS 31 0.957 0.155 -2.406 210 HD1 HIS 31 HD1 HIS 31 0.358 -1.662 0.889 211 HD2 HIS 31 HD2 HIS 31 -1.568 -0.756 -2.679 212 HE1 HIS 31 HE1 HIS 31 -1.972 -2.578 1.131 213 H GLN 32 H GLN 32 1.480 -1.761 -4.016 214 HA GLN 32 HA GLN 32 -0.106 -3.996 -3.803 215 HB2 GLN 32 1HB GLN 32 1.671 -3.140 -6.090 216 HB3 GLN 32 2HB GLN 32 0.463 -4.412 -6.215 217 HG2 GLN 32 1HG GLN 32 -1.211 -2.651 -5.429 218 HG3 GLN 32 2HG GLN 32 0.051 -1.476 -5.795 219 HE21 GLN 32 1HE2 GLN 32 -1.466 -0.626 -7.340 220 HE22 GLN 32 2HE2 GLN 32 -1.608 -1.360 -8.897 221 H ALA 33 H ALA 33 3.287 -3.791 -3.463 222 HA ALA 33 HA ALA 33 3.835 -6.548 -4.109 223 HB1 ALA 33 3HB ALA 33 5.536 -4.422 -2.814 224 HB2 ALA 33 1HB ALA 33 6.101 -6.037 -3.242 225 HB3 ALA 33 2HB ALA 33 5.566 -4.926 -4.503 226 H THR 34 H THR 34 1.984 -5.536 -1.817 227 HA THR 34 HA THR 34 3.173 -7.197 0.308 228 HB THR 34 HB THR 34 1.778 -5.962 1.912 229 HG1 THR 34 HG1 THR 34 0.935 -3.869 0.855 230 HG21 THR 34 3HG2 THR 34 3.171 -4.129 2.084 231 HG22 THR 34 1HG2 THR 34 3.193 -3.848 0.344 232 HG23 THR 34 2HG2 THR 34 4.118 -5.182 1.033 233 H HIS 35 H HIS 35 0.382 -6.617 -1.689 234 HA HIS 35 HA HIS 35 -1.490 -8.201 -0.305 235 HB2 HIS 35 1HB HIS 35 -1.249 -7.314 -3.169 236 HB3 HIS 35 2HB HIS 35 -2.549 -8.385 -2.656 237 HD1 HIS 35 HD1 HIS 35 -4.322 -7.384 -1.011 238 HD2 HIS 35 HD2 HIS 35 -1.538 -4.655 -2.445 239 HE1 HIS 35 HE1 HIS 35 -5.262 -5.116 -0.467 240 H SER 36 H SER 36 0.658 -8.982 -3.032 241 HA SER 36 HA SER 36 0.031 -11.481 -3.714 242 HB2 SER 36 1HB SER 36 2.310 -11.906 -4.252 243 HB3 SER 36 2HB SER 36 2.099 -10.162 -4.402 244 HG SER 36 HG SER 36 3.768 -11.526 -2.804 245 H GLY 37 H GLY 37 -0.206 -13.435 -2.820 246 HA2 GLY 37 1HA GLY 37 1.315 -14.435 -0.667 247 HA3 GLY 37 2HA GLY 37 -0.207 -13.811 -0.048 248 H GLU 38 H GLU 38 1.314 -16.524 -1.132 249 HA GLU 38 HA GLU 38 -1.161 -17.991 -1.262 250 HB2 GLU 38 1HB GLU 38 -0.887 -18.908 -3.465 251 HB3 GLU 38 2HB GLU 38 -0.873 -17.155 -3.594 252 HG2 GLU 38 1HG GLU 38 1.723 -17.480 -3.430 253 HG3 GLU 38 2HG GLU 38 1.335 -19.105 -3.992 254 H LYS 39 H LYS 39 -0.760 -20.358 -1.493 255 HA LYS 39 HA LYS 39 0.194 -22.206 -0.543 256 HB2 LYS 39 1HB LYS 39 2.295 -20.971 -2.264 257 HB3 LYS 39 2HB LYS 39 2.749 -22.332 -1.248 258 HG2 LYS 39 1HG LYS 39 1.348 -23.802 -2.367 259 HG3 LYS 39 2HG LYS 39 0.357 -22.503 -3.034 260 HD2 LYS 39 1HD LYS 39 1.954 -21.951 -4.645 261 HD3 LYS 39 2HD LYS 39 3.249 -22.779 -3.777 262 HE2 LYS 39 1HE LYS 39 1.755 -24.892 -4.206 263 HE3 LYS 39 2HE LYS 39 1.091 -23.902 -5.505 264 HZ1 LYS 39 3HZ LYS 39 3.983 -23.967 -5.357 265 HZ2 LYS 39 1HZ LYS 39 2.963 -24.072 -6.703 266 HZ3 LYS 39 2HZ LYS 39 3.257 -25.442 -5.756 267 HA PRO 40 HA PRO 40 2.209 -19.600 2.854 268 HB2 PRO 40 1HB PRO 40 0.186 -19.784 4.654 269 HB3 PRO 40 2HB PRO 40 0.295 -18.484 3.462 270 HG2 PRO 40 1HG PRO 40 -1.344 -20.988 3.390 271 HG3 PRO 40 2HG PRO 40 -1.806 -19.335 2.942 272 HD2 PRO 40 1HD PRO 40 -1.131 -21.207 1.106 273 HD3 PRO 40 2HD PRO 40 -0.798 -19.479 0.875 274 H SER 41 H SER 41 3.575 -20.735 4.069 275 HA SER 41 HA SER 41 2.958 -23.515 4.702 276 HB2 SER 41 1HB SER 41 5.138 -23.038 3.690 277 HB3 SER 41 2HB SER 41 5.528 -21.944 5.016 278 HG SER 41 HG SER 41 6.158 -23.612 6.107 279 H GLY 42 H GLY 42 1.363 -23.012 6.326 280 HA2 GLY 42 1HA GLY 42 1.689 -23.470 8.832 281 HA3 GLY 42 2HA GLY 42 2.478 -21.900 8.817 282 HA PRO 43 HA PRO 43 -2.211 -21.119 7.867 283 HB2 PRO 43 1HB PRO 43 -3.879 -23.216 8.302 284 HB3 PRO 43 2HB PRO 43 -3.126 -22.896 6.735 285 HG2 PRO 43 1HG PRO 43 -2.316 -24.838 8.864 286 HG3 PRO 43 2HG PRO 43 -2.381 -25.067 7.107 287 HD2 PRO 43 1HD PRO 43 -0.070 -24.569 8.427 288 HD3 PRO 43 2HD PRO 43 -0.362 -24.008 6.768 289 H SER 44 H SER 44 -0.653 -22.398 10.471 290 HA SER 44 HA SER 44 -2.301 -22.826 12.543 291 HB2 SER 44 1HB SER 44 -0.666 -21.780 14.020 292 HB3 SER 44 2HB SER 44 0.167 -22.647 12.730 293 HG SER 44 HG SER 44 -0.427 -19.965 12.284 294 H SER 45 H SER 45 -1.889 -19.776 10.889 295 HA SER 45 HA SER 45 -3.720 -18.467 12.772 296 HB2 SER 45 1HB SER 45 -3.032 -16.365 11.586 297 HB3 SER 45 2HB SER 45 -1.701 -17.207 12.380 298 HG SER 45 HG SER 45 -2.359 -17.400 9.624 299 H GLY 46 H GLY 46 -5.717 -19.205 12.144 300 HA2 GLY 46 1HA GLY 46 -7.670 -18.606 10.925 301 HA3 GLY 46 2HA GLY 46 -6.653 -18.193 9.553 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -15.656 7.468 -11.101 2 HA2 GLY 1 1HA GLY 1 -17.637 5.952 -11.038 3 HA3 GLY 1 2HA GLY 1 -17.581 6.141 -9.292 4 H SER 2 H SER 2 -19.883 6.757 -9.768 5 HA SER 2 HA SER 2 -20.076 9.587 -10.557 6 HB2 SER 2 1HB SER 2 -22.484 9.123 -10.961 7 HB3 SER 2 2HB SER 2 -21.427 8.130 -11.965 8 HG SER 2 HG SER 2 -21.758 6.417 -10.504 9 H SER 3 H SER 3 -19.156 8.998 -8.008 10 HA SER 3 HA SER 3 -20.974 10.470 -6.408 11 HB2 SER 3 1HB SER 3 -21.710 8.850 -4.844 12 HB3 SER 3 2HB SER 3 -21.994 8.121 -6.425 13 HG SER 3 HG SER 3 -20.246 7.385 -4.424 14 H GLY 4 H GLY 4 -19.896 11.464 -4.796 15 HA2 GLY 4 1HA GLY 4 -18.241 11.900 -3.240 16 HA3 GLY 4 2HA GLY 4 -17.593 10.293 -3.535 17 H SER 5 H SER 5 -17.767 13.562 -4.889 18 HA SER 5 HA SER 5 -15.057 13.164 -5.956 19 HB2 SER 5 1HB SER 5 -15.620 14.319 -8.005 20 HB3 SER 5 2HB SER 5 -16.749 12.982 -7.789 21 HG SER 5 HG SER 5 -18.324 14.401 -7.205 22 H SER 6 H SER 6 -17.575 15.509 -5.097 23 HA SER 6 HA SER 6 -16.370 17.895 -5.191 24 HB2 SER 6 1HB SER 6 -17.916 16.824 -2.819 25 HB3 SER 6 2HB SER 6 -17.571 18.530 -3.102 26 HG SER 6 HG SER 6 -18.829 17.001 -5.098 27 H GLY 7 H GLY 7 -14.855 19.096 -4.089 28 HA2 GLY 7 1HA GLY 7 -13.492 19.347 -2.045 29 HA3 GLY 7 2HA GLY 7 -13.230 17.611 -2.116 30 H THR 8 H THR 8 -11.005 18.932 -1.899 31 HA THR 8 HA THR 8 -9.828 20.054 -4.168 32 HB THR 8 HB THR 8 -7.641 19.407 -3.123 33 HG1 THR 8 HG1 THR 8 -9.404 17.927 -1.527 34 HG21 THR 8 3HG2 THR 8 -9.466 20.571 -1.042 35 HG22 THR 8 1HG2 THR 8 -9.075 21.455 -2.516 36 HG23 THR 8 2HG2 THR 8 -7.791 20.988 -1.401 37 H GLY 9 H GLY 9 -10.312 16.712 -3.256 38 HA2 GLY 9 1HA GLY 9 -9.826 14.737 -4.328 39 HA3 GLY 9 2HA GLY 9 -10.118 15.659 -5.795 40 H GLU 10 H GLU 10 -7.708 14.396 -3.622 41 HA GLU 10 HA GLU 10 -5.663 14.961 -5.662 42 HB2 GLU 10 1HB GLU 10 -5.470 16.405 -3.588 43 HB3 GLU 10 2HB GLU 10 -5.123 14.933 -2.693 44 HG2 GLU 10 1HG GLU 10 -3.290 14.639 -4.563 45 HG3 GLU 10 2HG GLU 10 -3.460 16.390 -4.672 46 H LYS 11 H LYS 11 -7.144 12.621 -5.602 47 HA LYS 11 HA LYS 11 -5.143 10.665 -4.677 48 HB2 LYS 11 1HB LYS 11 -8.150 10.515 -4.637 49 HB3 LYS 11 2HB LYS 11 -7.154 9.066 -4.582 50 HG2 LYS 11 1HG LYS 11 -7.441 9.402 -2.357 51 HG3 LYS 11 2HG LYS 11 -5.990 10.378 -2.603 52 HD2 LYS 11 1HD LYS 11 -7.281 11.877 -1.454 53 HD3 LYS 11 2HD LYS 11 -7.769 12.265 -3.106 54 HE2 LYS 11 1HE LYS 11 -9.238 10.287 -1.376 55 HE3 LYS 11 2HE LYS 11 -9.638 12.004 -1.424 56 HZ1 LYS 11 3HZ LYS 11 -11.062 10.972 -2.952 57 HZ2 LYS 11 1HZ LYS 11 -9.828 10.025 -3.617 58 HZ3 LYS 11 2HZ LYS 11 -9.864 11.691 -3.905 59 HA PRO 12 HA PRO 12 -5.522 10.362 -9.279 60 HB2 PRO 12 1HB PRO 12 -2.858 10.050 -9.700 61 HB3 PRO 12 2HB PRO 12 -3.630 11.634 -9.566 62 HG2 PRO 12 1HG PRO 12 -2.116 10.084 -7.500 63 HG3 PRO 12 2HG PRO 12 -2.039 11.815 -7.880 64 HD2 PRO 12 1HD PRO 12 -3.445 10.845 -5.779 65 HD3 PRO 12 2HD PRO 12 -3.947 12.292 -6.678 66 H TYR 13 H TYR 13 -3.747 8.466 -6.899 67 HA TYR 13 HA TYR 13 -4.229 6.064 -8.538 68 HB2 TYR 13 1HB TYR 13 -1.936 6.722 -6.691 69 HB3 TYR 13 2HB TYR 13 -2.264 5.087 -7.253 70 HD1 TYR 13 HD2 TYR 13 -2.390 4.761 -9.828 71 HD2 TYR 13 HD1 TYR 13 -0.577 8.123 -7.954 72 HE1 TYR 13 HE2 TYR 13 -1.102 5.202 -11.877 73 HE2 TYR 13 HE1 TYR 13 0.714 8.574 -9.998 74 HH TYR 13 HH TYR 13 0.003 7.267 -12.947 75 H LYS 14 H LYS 14 -5.154 4.306 -7.584 76 HA LYS 14 HA LYS 14 -5.502 4.164 -4.720 77 HB2 LYS 14 1HB LYS 14 -7.358 5.666 -5.715 78 HB3 LYS 14 2HB LYS 14 -8.011 4.173 -6.376 79 HG2 LYS 14 1HG LYS 14 -8.441 3.288 -4.250 80 HG3 LYS 14 2HG LYS 14 -7.407 4.477 -3.454 81 HD2 LYS 14 1HD LYS 14 -9.097 6.190 -4.490 82 HD3 LYS 14 2HD LYS 14 -10.167 4.787 -4.554 83 HE2 LYS 14 1HE LYS 14 -8.715 5.334 -2.018 84 HE3 LYS 14 2HE LYS 14 -10.069 6.381 -2.441 85 HZ1 LYS 14 3HZ LYS 14 -11.011 4.674 -1.194 86 HZ2 LYS 14 1HZ LYS 14 -10.086 3.469 -1.940 87 HZ3 LYS 14 2HZ LYS 14 -11.340 4.220 -2.790 88 H CYS 15 H CYS 15 -5.770 2.101 -4.021 89 HA CYS 15 HA CYS 15 -5.514 0.004 -5.995 90 HB2 CYS 15 1HB CYS 15 -4.228 0.099 -3.809 91 HB3 CYS 15 2HB CYS 15 -5.735 -0.323 -3.002 92 H ASN 16 H ASN 16 -6.917 -1.762 -6.241 93 HA ASN 16 HA ASN 16 -9.688 -1.183 -5.455 94 HB2 ASN 16 1HB ASN 16 -10.207 -2.892 -7.295 95 HB3 ASN 16 2HB ASN 16 -9.569 -1.333 -7.807 96 HD21 ASN 16 1HD2 ASN 16 -8.922 -4.721 -7.452 97 HD22 ASN 16 2HD2 ASN 16 -7.484 -4.756 -8.409 98 H GLU 17 H GLU 17 -7.119 -3.107 -4.602 99 HA GLU 17 HA GLU 17 -8.649 -5.483 -3.953 100 HB2 GLU 17 1HB GLU 17 -5.780 -4.753 -3.337 101 HB3 GLU 17 2HB GLU 17 -6.516 -6.319 -3.029 102 HG2 GLU 17 1HG GLU 17 -6.597 -5.224 -5.791 103 HG3 GLU 17 2HG GLU 17 -5.081 -5.883 -5.179 104 H CYS 18 H CYS 18 -7.017 -2.850 -2.226 105 HA CYS 18 HA CYS 18 -8.488 -3.640 0.203 106 HB2 CYS 18 1HB CYS 18 -6.689 -2.501 1.480 107 HB3 CYS 18 2HB CYS 18 -6.098 -3.867 0.539 108 H GLY 19 H GLY 19 -7.247 -0.867 -1.638 109 HA2 GLY 19 1HA GLY 19 -8.843 0.927 -2.135 110 HA3 GLY 19 2HA GLY 19 -9.456 0.731 -0.499 111 H LYS 20 H LYS 20 -6.043 0.671 -1.249 112 HA LYS 20 HA LYS 20 -5.636 2.955 0.497 113 HB2 LYS 20 1HB LYS 20 -4.253 0.759 0.450 114 HB3 LYS 20 2HB LYS 20 -3.451 1.477 -0.941 115 HG2 LYS 20 1HG LYS 20 -2.133 1.932 0.986 116 HG3 LYS 20 2HG LYS 20 -2.892 3.444 0.482 117 HD2 LYS 20 1HD LYS 20 -4.588 3.191 2.206 118 HD3 LYS 20 2HD LYS 20 -3.897 1.638 2.683 119 HE2 LYS 20 1HE LYS 20 -2.449 4.281 2.796 120 HE3 LYS 20 2HE LYS 20 -3.234 3.503 4.170 121 HZ1 LYS 20 3HZ LYS 20 -0.776 2.750 2.762 122 HZ2 LYS 20 1HZ LYS 20 -1.710 1.522 3.457 123 HZ3 LYS 20 2HZ LYS 20 -1.104 2.771 4.422 124 H ALA 21 H ALA 21 -5.741 4.933 -0.326 125 HA ALA 21 HA ALA 21 -5.156 5.391 -3.141 126 HB1 ALA 21 3HB ALA 21 -5.844 7.687 -1.433 127 HB2 ALA 21 1HB ALA 21 -6.483 7.205 -3.005 128 HB3 ALA 21 2HB ALA 21 -7.067 6.421 -1.537 129 H PHE 22 H PHE 22 -3.289 6.167 -3.870 130 HA PHE 22 HA PHE 22 -1.400 7.305 -1.919 131 HB2 PHE 22 1HB PHE 22 -0.758 5.993 -4.567 132 HB3 PHE 22 2HB PHE 22 0.399 6.530 -3.354 133 HD1 PHE 22 HD2 PHE 22 -2.311 4.100 -4.011 134 HD2 PHE 22 HD1 PHE 22 1.021 5.138 -1.574 135 HE1 PHE 22 HE2 PHE 22 -2.396 1.880 -2.955 136 HE2 PHE 22 HE1 PHE 22 0.941 2.919 -0.514 137 HZ PHE 22 HZ PHE 22 -0.770 1.287 -1.203 138 H ARG 23 H ARG 23 0.377 8.609 -3.326 139 HA ARG 23 HA ARG 23 -1.171 10.738 -4.612 140 HB2 ARG 23 1HB ARG 23 0.560 11.010 -2.632 141 HB3 ARG 23 2HB ARG 23 1.725 11.027 -3.948 142 HG2 ARG 23 1HG ARG 23 0.274 12.856 -4.977 143 HG3 ARG 23 2HG ARG 23 -0.497 12.958 -3.393 144 HD2 ARG 23 1HD ARG 23 1.441 13.703 -2.357 145 HD3 ARG 23 2HD ARG 23 2.482 13.071 -3.633 146 HE ARG 23 HE ARG 23 0.705 15.197 -4.450 147 HH11 ARG 23 1HH1 ARG 23 3.844 14.352 -3.205 148 HH12 ARG 23 2HH1 ARG 23 4.593 15.822 -3.733 149 HH21 ARG 23 1HH2 ARG 23 1.680 17.137 -5.150 150 HH22 ARG 23 2HH2 ARG 23 3.361 17.406 -4.839 151 H ALA 24 H ALA 24 1.281 8.362 -5.228 152 HA ALA 24 HA ALA 24 1.205 9.047 -8.064 153 HB1 ALA 24 3HB ALA 24 3.389 9.548 -8.332 154 HB2 ALA 24 1HB ALA 24 3.268 10.017 -6.636 155 HB3 ALA 24 2HB ALA 24 3.912 8.433 -7.069 156 H ARG 25 H ARG 25 2.487 7.332 -9.343 157 HA ARG 25 HA ARG 25 1.363 4.810 -8.789 158 HB2 ARG 25 1HB ARG 25 2.249 5.867 -11.025 159 HB3 ARG 25 2HB ARG 25 3.758 5.093 -10.560 160 HG2 ARG 25 1HG ARG 25 2.694 2.930 -10.536 161 HG3 ARG 25 2HG ARG 25 1.124 3.668 -10.864 162 HD2 ARG 25 1HD ARG 25 1.694 3.048 -12.983 163 HD3 ARG 25 2HD ARG 25 2.428 4.651 -12.944 164 HE ARG 25 HE ARG 25 4.208 2.573 -12.087 165 HH11 ARG 25 1HH1 ARG 25 2.907 4.245 -14.850 166 HH12 ARG 25 2HH1 ARG 25 4.262 3.888 -15.868 167 HH21 ARG 25 1HH2 ARG 25 5.998 2.097 -13.418 168 HH22 ARG 25 2HH2 ARG 25 6.020 2.665 -15.053 169 H SER 26 H SER 26 4.789 5.811 -8.747 170 HA SER 26 HA SER 26 6.017 3.574 -7.867 171 HB2 SER 26 1HB SER 26 6.907 6.033 -8.204 172 HB3 SER 26 2HB SER 26 6.718 6.119 -6.452 173 HG SER 26 HG SER 26 8.690 5.008 -7.836 174 H SER 27 H SER 27 4.228 5.856 -5.832 175 HA SER 27 HA SER 27 4.768 4.598 -3.368 176 HB2 SER 27 1HB SER 27 2.434 6.334 -4.207 177 HB3 SER 27 2HB SER 27 2.787 5.870 -2.542 178 HG SER 27 HG SER 27 3.637 7.947 -3.157 179 H LEU 28 H LEU 28 2.303 4.078 -5.812 180 HA LEU 28 HA LEU 28 0.718 2.303 -4.230 181 HB2 LEU 28 1HB LEU 28 -0.361 3.442 -6.005 182 HB3 LEU 28 2HB LEU 28 0.838 2.896 -7.175 183 HG LEU 28 HG LEU 28 -0.090 0.522 -6.566 184 HD11 LEU 28 1HD1 LEU 28 -1.894 2.290 -5.170 185 HD12 LEU 28 2HD1 LEU 28 -1.772 0.531 -5.116 186 HD13 LEU 28 3HD1 LEU 28 -2.748 1.309 -6.362 187 HD21 LEU 28 3HD2 LEU 28 -1.463 2.550 -8.318 188 HD22 LEU 28 1HD2 LEU 28 -1.834 0.825 -8.342 189 HD23 LEU 28 2HD2 LEU 28 -0.220 1.386 -8.779 190 H ALA 29 H ALA 29 3.262 1.902 -6.646 191 HA ALA 29 HA ALA 29 3.135 -0.833 -7.053 192 HB1 ALA 29 3HB ALA 29 5.873 -0.129 -6.966 193 HB2 ALA 29 1HB ALA 29 4.832 -0.311 -8.379 194 HB3 ALA 29 2HB ALA 29 4.987 1.261 -7.593 195 H ILE 30 H ILE 30 5.296 0.827 -4.743 196 HA ILE 30 HA ILE 30 6.413 -1.286 -3.464 197 HB ILE 30 HB ILE 30 5.362 1.196 -2.100 198 HG12 ILE 30 1HG1 ILE 30 8.210 0.783 -2.918 199 HG13 ILE 30 2HG1 ILE 30 7.039 1.287 -4.132 200 HG21 ILE 30 1HG2 ILE 30 7.780 -0.031 -1.039 201 HG22 ILE 30 2HG2 ILE 30 6.337 0.540 -0.201 202 HG23 ILE 30 3HG2 ILE 30 6.362 -1.073 -0.915 203 HD11 ILE 30 3HD1 ILE 30 7.855 3.300 -3.418 204 HD12 ILE 30 1HD1 ILE 30 6.446 3.119 -2.374 205 HD13 ILE 30 2HD1 ILE 30 8.057 2.754 -1.753 206 H HIS 31 H HIS 31 3.143 -0.061 -3.008 207 HA HIS 31 HA HIS 31 2.520 -1.720 -0.779 208 HB2 HIS 31 1HB HIS 31 1.080 0.074 -0.882 209 HB3 HIS 31 2HB HIS 31 0.978 0.028 -2.640 210 HD1 HIS 31 HD1 HIS 31 0.001 -2.480 0.063 211 HD2 HIS 31 HD2 HIS 31 -1.559 -0.595 -3.295 212 HE1 HIS 31 HE1 HIS 31 -2.324 -3.401 -0.207 213 H GLN 32 H GLN 32 1.998 -1.988 -4.269 214 HA GLN 32 HA GLN 32 0.389 -4.234 -4.347 215 HB2 GLN 32 1HB GLN 32 2.547 -3.289 -6.227 216 HB3 GLN 32 2HB GLN 32 1.534 -4.683 -6.579 217 HG2 GLN 32 1HG GLN 32 0.619 -1.846 -6.176 218 HG3 GLN 32 2HG GLN 32 0.662 -2.743 -7.693 219 HE21 GLN 32 1HE2 GLN 32 -1.549 -1.462 -6.162 220 HE22 GLN 32 2HE2 GLN 32 -2.737 -2.702 -5.974 221 H ALA 33 H ALA 33 3.592 -3.976 -3.248 222 HA ALA 33 HA ALA 33 4.348 -6.710 -3.772 223 HB1 ALA 33 3HB ALA 33 5.990 -4.842 -3.667 224 HB2 ALA 33 1HB ALA 33 5.682 -4.730 -1.934 225 HB3 ALA 33 2HB ALA 33 6.381 -6.200 -2.613 226 H THR 34 H THR 34 1.969 -5.813 -2.001 227 HA THR 34 HA THR 34 2.653 -7.512 0.310 228 HB THR 34 HB THR 34 2.096 -4.993 0.688 229 HG1 THR 34 HG1 THR 34 2.243 -6.626 2.340 230 HG21 THR 34 3HG2 THR 34 -0.269 -4.517 0.971 231 HG22 THR 34 1HG2 THR 34 -0.685 -6.146 0.438 232 HG23 THR 34 2HG2 THR 34 0.049 -5.008 -0.693 233 H HIS 35 H HIS 35 0.409 -6.832 -2.250 234 HA HIS 35 HA HIS 35 -1.637 -8.613 -1.285 235 HB2 HIS 35 1HB HIS 35 -1.223 -7.066 -3.830 236 HB3 HIS 35 2HB HIS 35 -2.505 -8.268 -3.700 237 HD1 HIS 35 HD1 HIS 35 -4.100 -7.810 -1.445 238 HD2 HIS 35 HD2 HIS 35 -2.047 -4.603 -3.106 239 HE1 HIS 35 HE1 HIS 35 -5.279 -5.752 -0.609 240 H SER 36 H SER 36 -1.074 -10.705 -1.148 241 HA SER 36 HA SER 36 0.372 -11.929 -3.390 242 HB2 SER 36 1HB SER 36 1.040 -12.131 -0.846 243 HB3 SER 36 2HB SER 36 -0.194 -13.391 -0.839 244 HG SER 36 HG SER 36 2.250 -13.293 -2.210 245 H GLY 37 H GLY 37 -0.283 -14.224 -3.902 246 HA2 GLY 37 1HA GLY 37 -2.905 -14.293 -4.855 247 HA3 GLY 37 2HA GLY 37 -1.856 -15.694 -4.697 248 H GLU 38 H GLU 38 -4.213 -16.490 -4.323 249 HA GLU 38 HA GLU 38 -5.715 -17.442 -2.904 250 HB2 GLU 38 1HB GLU 38 -3.296 -17.151 -1.156 251 HB3 GLU 38 2HB GLU 38 -4.805 -17.742 -0.475 252 HG2 GLU 38 1HG GLU 38 -4.786 -19.666 -1.785 253 HG3 GLU 38 2HG GLU 38 -3.621 -18.992 -2.922 254 H LYS 39 H LYS 39 -6.094 -14.745 -3.377 255 HA LYS 39 HA LYS 39 -6.972 -13.714 -0.761 256 HB2 LYS 39 1HB LYS 39 -5.373 -12.239 -1.842 257 HB3 LYS 39 2HB LYS 39 -6.332 -12.230 -3.316 258 HG2 LYS 39 1HG LYS 39 -7.007 -10.256 -2.428 259 HG3 LYS 39 2HG LYS 39 -8.191 -11.322 -1.668 260 HD2 LYS 39 1HD LYS 39 -5.606 -10.880 -0.268 261 HD3 LYS 39 2HD LYS 39 -6.785 -9.567 -0.266 262 HE2 LYS 39 1HE LYS 39 -8.479 -11.178 0.591 263 HE3 LYS 39 2HE LYS 39 -7.202 -12.387 0.717 264 HZ1 LYS 39 3HZ LYS 39 -6.157 -11.220 2.409 265 HZ2 LYS 39 1HZ LYS 39 -7.796 -11.035 2.785 266 HZ3 LYS 39 2HZ LYS 39 -6.948 -9.767 2.053 267 HA PRO 40 HA PRO 40 -10.845 -14.875 -2.981 268 HB2 PRO 40 1HB PRO 40 -12.126 -15.724 -0.743 269 HB3 PRO 40 2HB PRO 40 -11.049 -16.762 -1.685 270 HG2 PRO 40 1HG PRO 40 -10.493 -15.249 0.837 271 HG3 PRO 40 2HG PRO 40 -10.026 -16.902 0.398 272 HD2 PRO 40 1HD PRO 40 -8.311 -14.813 0.240 273 HD3 PRO 40 2HD PRO 40 -8.239 -16.194 -0.874 274 H SER 41 H SER 41 -13.206 -14.369 -2.005 275 HA SER 41 HA SER 41 -13.763 -11.769 -2.201 276 HB2 SER 41 1HB SER 41 -15.067 -13.623 -0.192 277 HB3 SER 41 2HB SER 41 -15.760 -12.114 -0.785 278 HG SER 41 HG SER 41 -16.258 -13.051 -2.619 279 H GLY 42 H GLY 42 -13.426 -13.214 1.049 280 HA2 GLY 42 1HA GLY 42 -11.554 -11.695 2.219 281 HA3 GLY 42 2HA GLY 42 -12.915 -10.585 2.172 282 HA PRO 43 HA PRO 43 -14.007 -14.314 5.106 283 HB2 PRO 43 1HB PRO 43 -11.841 -15.586 6.136 284 HB3 PRO 43 2HB PRO 43 -12.654 -16.115 4.658 285 HG2 PRO 43 1HG PRO 43 -10.161 -14.487 4.970 286 HG3 PRO 43 2HG PRO 43 -10.493 -15.821 3.850 287 HD2 PRO 43 1HD PRO 43 -10.606 -13.223 3.096 288 HD3 PRO 43 2HD PRO 43 -11.652 -14.470 2.386 289 H SER 44 H SER 44 -14.167 -14.185 7.366 290 HA SER 44 HA SER 44 -13.585 -11.762 8.557 291 HB2 SER 44 1HB SER 44 -15.224 -13.549 9.344 292 HB3 SER 44 2HB SER 44 -13.846 -14.340 10.109 293 HG SER 44 HG SER 44 -13.760 -12.805 11.579 294 H SER 45 H SER 45 -11.822 -14.832 8.889 295 HA SER 45 HA SER 45 -9.667 -13.436 10.289 296 HB2 SER 45 1HB SER 45 -8.813 -15.640 10.840 297 HB3 SER 45 2HB SER 45 -10.536 -15.584 11.209 298 HG SER 45 HG SER 45 -9.217 -17.210 9.523 299 H GLY 46 H GLY 46 -7.669 -13.119 9.450 300 HA2 GLY 46 1HA GLY 46 -6.838 -14.476 7.027 301 HA3 GLY 46 2HA GLY 46 -7.151 -12.757 6.836 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -30.968 26.741 0.131 2 HA2 GLY 1 1HA GLY 1 -31.837 24.615 -1.554 3 HA3 GLY 1 2HA GLY 1 -30.253 25.194 -2.046 4 H SER 2 H SER 2 -28.743 23.853 -1.333 5 HA SER 2 HA SER 2 -28.766 23.098 1.497 6 HB2 SER 2 1HB SER 2 -28.421 21.160 -0.802 7 HB3 SER 2 2HB SER 2 -28.087 20.772 0.885 8 HG SER 2 HG SER 2 -30.403 21.610 1.131 9 H SER 3 H SER 3 -26.719 22.672 2.382 10 HA SER 3 HA SER 3 -24.463 23.524 0.687 11 HB2 SER 3 1HB SER 3 -25.054 24.075 3.592 12 HB3 SER 3 2HB SER 3 -23.432 24.252 2.923 13 HG SER 3 HG SER 3 -24.415 26.225 2.755 14 H GLY 4 H GLY 4 -22.430 22.527 1.035 15 HA2 GLY 4 1HA GLY 4 -21.834 20.560 2.904 16 HA3 GLY 4 2HA GLY 4 -22.581 19.738 1.542 17 H SER 5 H SER 5 -19.703 20.376 2.828 18 HA SER 5 HA SER 5 -18.304 19.867 0.376 19 HB2 SER 5 1HB SER 5 -17.971 22.538 1.755 20 HB3 SER 5 2HB SER 5 -16.810 21.889 0.598 21 HG SER 5 HG SER 5 -19.301 22.989 0.177 22 H SER 6 H SER 6 -17.088 18.239 1.080 23 HA SER 6 HA SER 6 -15.676 18.552 3.647 24 HB2 SER 6 1HB SER 6 -16.542 16.031 2.212 25 HB3 SER 6 2HB SER 6 -15.560 16.058 3.677 26 HG SER 6 HG SER 6 -18.066 17.354 3.552 27 H GLY 7 H GLY 7 -14.108 19.810 2.324 28 HA2 GLY 7 1HA GLY 7 -12.248 19.985 0.932 29 HA3 GLY 7 2HA GLY 7 -11.699 18.708 2.007 30 H THR 8 H THR 8 -13.040 19.447 -1.130 31 HA THR 8 HA THR 8 -13.098 16.702 -2.000 32 HB THR 8 HB THR 8 -13.326 19.245 -3.623 33 HG1 THR 8 HG1 THR 8 -15.258 17.533 -2.423 34 HG21 THR 8 3HG2 THR 8 -14.307 17.814 -5.346 35 HG22 THR 8 1HG2 THR 8 -14.025 16.394 -4.340 36 HG23 THR 8 2HG2 THR 8 -12.658 17.310 -4.975 37 H GLY 9 H GLY 9 -10.920 16.060 -1.587 38 HA2 GLY 9 1HA GLY 9 -8.942 17.234 -3.438 39 HA3 GLY 9 2HA GLY 9 -8.537 16.438 -1.924 40 H GLU 10 H GLU 10 -9.782 15.906 -5.183 41 HA GLU 10 HA GLU 10 -10.052 13.186 -5.256 42 HB2 GLU 10 1HB GLU 10 -9.568 13.289 -7.630 43 HB3 GLU 10 2HB GLU 10 -10.518 14.691 -7.157 44 HG2 GLU 10 1HG GLU 10 -8.464 16.038 -7.097 45 HG3 GLU 10 2HG GLU 10 -7.548 14.633 -7.639 46 H LYS 11 H LYS 11 -8.720 11.421 -5.614 47 HA LYS 11 HA LYS 11 -5.917 11.839 -4.867 48 HB2 LYS 11 1HB LYS 11 -5.879 9.499 -4.262 49 HB3 LYS 11 2HB LYS 11 -7.280 10.261 -3.521 50 HG2 LYS 11 1HG LYS 11 -8.611 9.387 -5.500 51 HG3 LYS 11 2HG LYS 11 -7.199 8.393 -5.868 52 HD2 LYS 11 1HD LYS 11 -8.496 6.973 -4.571 53 HD3 LYS 11 2HD LYS 11 -7.376 7.656 -3.391 54 HE2 LYS 11 1HE LYS 11 -9.491 7.762 -2.370 55 HE3 LYS 11 2HE LYS 11 -9.165 9.402 -2.931 56 HZ1 LYS 11 3HZ LYS 11 -11.029 9.335 -4.094 57 HZ2 LYS 11 1HZ LYS 11 -11.341 7.760 -3.558 58 HZ3 LYS 11 2HZ LYS 11 -10.464 8.010 -4.982 59 HA PRO 12 HA PRO 12 -4.479 10.962 -8.934 60 HB2 PRO 12 1HB PRO 12 -1.977 10.096 -8.332 61 HB3 PRO 12 2HB PRO 12 -2.455 11.795 -8.236 62 HG2 PRO 12 1HG PRO 12 -2.225 9.766 -6.047 63 HG3 PRO 12 2HG PRO 12 -1.706 11.461 -6.060 64 HD2 PRO 12 1HD PRO 12 -4.001 10.650 -4.875 65 HD3 PRO 12 2HD PRO 12 -3.830 12.247 -5.633 66 H TYR 13 H TYR 13 -3.609 8.486 -6.514 67 HA TYR 13 HA TYR 13 -4.453 6.430 -8.441 68 HB2 TYR 13 1HB TYR 13 -1.985 6.367 -6.694 69 HB3 TYR 13 2HB TYR 13 -2.594 4.990 -7.606 70 HD1 TYR 13 HD1 TYR 13 -1.063 8.332 -7.881 71 HD2 TYR 13 HD2 TYR 13 -2.236 4.813 -9.965 72 HE1 TYR 13 HE1 TYR 13 0.224 9.072 -9.842 73 HE2 TYR 13 HE2 TYR 13 -0.951 5.542 -11.931 74 HH TYR 13 HH TYR 13 -0.152 7.824 -12.863 75 H LYS 14 H LYS 14 -4.557 4.216 -7.208 76 HA LYS 14 HA LYS 14 -5.168 4.207 -4.452 77 HB2 LYS 14 1HB LYS 14 -7.136 5.450 -5.010 78 HB3 LYS 14 2HB LYS 14 -7.501 4.381 -6.358 79 HG2 LYS 14 1HG LYS 14 -8.353 2.744 -5.014 80 HG3 LYS 14 2HG LYS 14 -7.364 3.213 -3.629 81 HD2 LYS 14 1HD LYS 14 -8.750 5.261 -3.402 82 HD3 LYS 14 2HD LYS 14 -9.783 4.663 -4.701 83 HE2 LYS 14 1HE LYS 14 -9.239 3.093 -2.193 84 HE3 LYS 14 2HE LYS 14 -10.578 4.232 -2.333 85 HZ1 LYS 14 3HZ LYS 14 -11.703 2.881 -3.740 86 HZ2 LYS 14 1HZ LYS 14 -10.837 1.685 -2.915 87 HZ3 LYS 14 2HZ LYS 14 -10.308 2.219 -4.430 88 H CYS 15 H CYS 15 -5.153 2.159 -3.705 89 HA CYS 15 HA CYS 15 -4.575 0.037 -5.521 90 HB2 CYS 15 1HB CYS 15 -3.605 0.227 -3.228 91 HB3 CYS 15 2HB CYS 15 -5.194 -0.143 -2.566 92 H ASN 16 H ASN 16 -6.068 -0.943 -6.708 93 HA ASN 16 HA ASN 16 -8.841 -0.984 -5.903 94 HB2 ASN 16 1HB ASN 16 -9.028 -2.352 -8.095 95 HB3 ASN 16 2HB ASN 16 -8.597 -0.648 -8.205 96 HD21 ASN 16 1HD2 ASN 16 -7.022 -3.802 -7.801 97 HD22 ASN 16 2HD2 ASN 16 -5.717 -3.479 -8.886 98 H GLU 17 H GLU 17 -7.242 -2.369 -4.087 99 HA GLU 17 HA GLU 17 -8.257 -5.104 -4.455 100 HB2 GLU 17 1HB GLU 17 -5.536 -4.322 -3.400 101 HB3 GLU 17 2HB GLU 17 -6.207 -5.943 -3.303 102 HG2 GLU 17 1HG GLU 17 -6.458 -5.698 -5.880 103 HG3 GLU 17 2HG GLU 17 -5.247 -4.432 -5.685 104 H CYS 18 H CYS 18 -7.145 -2.622 -2.200 105 HA CYS 18 HA CYS 18 -8.915 -3.798 -0.159 106 HB2 CYS 18 1HB CYS 18 -7.330 -2.939 1.558 107 HB3 CYS 18 2HB CYS 18 -6.631 -4.186 0.531 108 H GLY 19 H GLY 19 -7.285 -0.811 -1.205 109 HA2 GLY 19 1HA GLY 19 -8.993 1.017 -1.664 110 HA3 GLY 19 2HA GLY 19 -9.513 0.713 -0.014 111 H LYS 20 H LYS 20 -6.216 0.845 -1.300 112 HA LYS 20 HA LYS 20 -5.569 2.846 0.728 113 HB2 LYS 20 1HB LYS 20 -3.995 0.899 -0.899 114 HB3 LYS 20 2HB LYS 20 -3.184 2.344 -0.310 115 HG2 LYS 20 1HG LYS 20 -4.723 0.526 1.514 116 HG3 LYS 20 2HG LYS 20 -3.023 0.255 1.121 117 HD2 LYS 20 1HD LYS 20 -2.344 2.226 2.170 118 HD3 LYS 20 2HD LYS 20 -3.969 2.914 2.136 119 HE2 LYS 20 1HE LYS 20 -3.405 0.422 3.695 120 HE3 LYS 20 2HE LYS 20 -3.013 2.003 4.370 121 HZ1 LYS 20 3HZ LYS 20 -5.425 2.569 3.762 122 HZ2 LYS 20 1HZ LYS 20 -5.148 1.606 5.125 123 HZ3 LYS 20 2HZ LYS 20 -5.657 0.896 3.677 124 H ALA 21 H ALA 21 -4.314 4.729 0.191 125 HA ALA 21 HA ALA 21 -4.611 5.605 -2.606 126 HB1 ALA 21 3HB ALA 21 -5.789 6.749 -0.231 127 HB2 ALA 21 1HB ALA 21 -4.763 7.917 -1.066 128 HB3 ALA 21 2HB ALA 21 -6.084 7.127 -1.928 129 H PHE 22 H PHE 22 -2.833 6.442 -3.509 130 HA PHE 22 HA PHE 22 -0.594 7.167 -1.736 131 HB2 PHE 22 1HB PHE 22 -0.272 6.007 -4.502 132 HB3 PHE 22 2HB PHE 22 0.960 6.205 -3.260 133 HD1 PHE 22 HD2 PHE 22 -2.136 4.348 -4.091 134 HD2 PHE 22 HD1 PHE 22 1.401 4.499 -1.729 135 HE1 PHE 22 HE2 PHE 22 -2.563 2.054 -3.311 136 HE2 PHE 22 HE1 PHE 22 0.980 2.205 -0.946 137 HZ PHE 22 HZ PHE 22 -1.005 0.980 -1.736 138 H ARG 23 H ARG 23 1.125 8.428 -3.153 139 HA ARG 23 HA ARG 23 -0.318 10.455 -4.730 140 HB2 ARG 23 1HB ARG 23 0.523 11.022 -2.286 141 HB3 ARG 23 2HB ARG 23 2.064 11.232 -3.107 142 HG2 ARG 23 1HG ARG 23 1.071 12.897 -4.578 143 HG3 ARG 23 2HG ARG 23 -0.492 12.669 -3.791 144 HD2 ARG 23 1HD ARG 23 0.484 14.614 -2.841 145 HD3 ARG 23 2HD ARG 23 0.611 13.334 -1.635 146 HE ARG 23 HE ARG 23 2.903 13.392 -1.845 147 HH11 ARG 23 1HH1 ARG 23 1.433 15.266 -4.385 148 HH12 ARG 23 2HH1 ARG 23 2.927 15.973 -4.905 149 HH21 ARG 23 1HH2 ARG 23 4.876 14.316 -2.521 150 HH22 ARG 23 2HH2 ARG 23 4.884 15.432 -3.845 151 H ALA 24 H ALA 24 1.501 8.033 -5.275 152 HA ALA 24 HA ALA 24 2.943 9.277 -7.441 153 HB1 ALA 24 3HB ALA 24 4.761 9.597 -6.112 154 HB2 ALA 24 1HB ALA 24 4.336 8.278 -5.021 155 HB3 ALA 24 2HB ALA 24 5.064 7.926 -6.589 156 H ARG 25 H ARG 25 2.814 7.981 -9.151 157 HA ARG 25 HA ARG 25 1.461 5.674 -9.381 158 HB2 ARG 25 1HB ARG 25 2.411 6.901 -11.291 159 HB3 ARG 25 2HB ARG 25 4.012 6.302 -10.877 160 HG2 ARG 25 1HG ARG 25 3.279 4.018 -11.310 161 HG3 ARG 25 2HG ARG 25 1.665 4.609 -11.708 162 HD2 ARG 25 1HD ARG 25 2.593 5.900 -13.564 163 HD3 ARG 25 2HD ARG 25 4.210 5.326 -13.159 164 HE ARG 25 HE ARG 25 2.334 3.209 -13.656 165 HH11 ARG 25 1HH1 ARG 25 4.563 5.452 -15.113 166 HH12 ARG 25 2HH1 ARG 25 4.823 4.480 -16.523 167 HH21 ARG 25 1HH2 ARG 25 2.668 1.920 -15.508 168 HH22 ARG 25 2HH2 ARG 25 3.744 2.471 -16.747 169 H SER 26 H SER 26 4.998 5.761 -8.920 170 HA SER 26 HA SER 26 5.390 3.019 -8.657 171 HB2 SER 26 1HB SER 26 7.131 4.916 -8.855 172 HB3 SER 26 2HB SER 26 7.005 5.029 -7.099 173 HG SER 26 HG SER 26 8.538 3.417 -8.396 174 H SER 27 H SER 27 4.606 5.444 -6.206 175 HA SER 27 HA SER 27 4.904 3.994 -3.894 176 HB2 SER 27 1HB SER 27 4.196 6.411 -4.095 177 HB3 SER 27 2HB SER 27 2.561 5.833 -4.416 178 HG SER 27 HG SER 27 2.685 6.196 -2.243 179 H LEU 28 H LEU 28 2.005 4.120 -5.956 180 HA LEU 28 HA LEU 28 0.358 2.435 -4.520 181 HB2 LEU 28 1HB LEU 28 -0.516 3.608 -6.385 182 HB3 LEU 28 2HB LEU 28 0.639 2.855 -7.484 183 HG LEU 28 HG LEU 28 -0.547 0.659 -6.971 184 HD11 LEU 28 1HD1 LEU 28 -2.062 0.710 -5.346 185 HD12 LEU 28 2HD1 LEU 28 -3.095 1.621 -6.446 186 HD13 LEU 28 3HD1 LEU 28 -2.059 2.473 -5.302 187 HD21 LEU 28 3HD2 LEU 28 -2.456 1.259 -8.517 188 HD22 LEU 28 1HD2 LEU 28 -0.835 1.631 -9.104 189 HD23 LEU 28 2HD2 LEU 28 -1.857 2.918 -8.464 190 H ALA 29 H ALA 29 2.860 1.594 -6.876 191 HA ALA 29 HA ALA 29 2.364 -1.176 -6.949 192 HB1 ALA 29 3HB ALA 29 4.349 0.643 -7.969 193 HB2 ALA 29 1HB ALA 29 5.102 -0.840 -7.380 194 HB3 ALA 29 2HB ALA 29 3.829 -0.919 -8.599 195 H ILE 30 H ILE 30 4.757 0.689 -5.078 196 HA ILE 30 HA ILE 30 6.078 -1.237 -3.722 197 HB ILE 30 HB ILE 30 4.973 1.250 -2.413 198 HG12 ILE 30 1HG1 ILE 30 6.149 1.830 -4.458 199 HG13 ILE 30 2HG1 ILE 30 7.136 2.274 -3.070 200 HG21 ILE 30 1HG2 ILE 30 7.611 0.338 -1.607 201 HG22 ILE 30 2HG2 ILE 30 6.219 0.784 -0.623 202 HG23 ILE 30 3HG2 ILE 30 6.351 -0.849 -1.273 203 HD11 ILE 30 3HD1 ILE 30 8.435 1.261 -4.888 204 HD12 ILE 30 1HD1 ILE 30 8.526 0.333 -3.391 205 HD13 ILE 30 2HD1 ILE 30 7.495 -0.220 -4.711 206 H HIS 31 H HIS 31 2.785 -0.159 -3.088 207 HA HIS 31 HA HIS 31 2.476 -1.775 -0.735 208 HB2 HIS 31 1HB HIS 31 1.143 0.201 -0.860 209 HB3 HIS 31 2HB HIS 31 0.520 -0.240 -2.448 210 HD1 HIS 31 HD1 HIS 31 0.367 -1.517 1.130 211 HD2 HIS 31 HD2 HIS 31 -1.875 -1.508 -2.369 212 HE1 HIS 31 HE1 HIS 31 -1.828 -2.586 1.734 213 H GLN 32 H GLN 32 1.331 -1.978 -4.094 214 HA GLN 32 HA GLN 32 -0.210 -4.243 -3.969 215 HB2 GLN 32 1HB GLN 32 1.683 -3.380 -6.159 216 HB3 GLN 32 2HB GLN 32 0.480 -4.650 -6.342 217 HG2 GLN 32 1HG GLN 32 -1.244 -2.912 -5.689 218 HG3 GLN 32 2HG GLN 32 0.033 -1.716 -5.909 219 HE21 GLN 32 1HE2 GLN 32 -1.613 -0.963 -7.505 220 HE22 GLN 32 2HE2 GLN 32 -1.512 -1.597 -9.109 221 H ALA 33 H ALA 33 3.170 -3.981 -3.484 222 HA ALA 33 HA ALA 33 3.804 -6.721 -4.087 223 HB1 ALA 33 3HB ALA 33 5.989 -6.154 -2.995 224 HB2 ALA 33 1HB ALA 33 5.550 -5.128 -4.362 225 HB3 ALA 33 2HB ALA 33 5.351 -4.534 -2.713 226 H THR 34 H THR 34 1.831 -5.679 -1.861 227 HA THR 34 HA THR 34 2.892 -7.370 0.305 228 HB THR 34 HB THR 34 1.438 -6.171 1.841 229 HG1 THR 34 HG1 THR 34 0.425 -4.180 0.818 230 HG21 THR 34 3HG2 THR 34 3.696 -5.147 0.652 231 HG22 THR 34 1HG2 THR 34 2.918 -4.505 2.098 232 HG23 THR 34 2HG2 THR 34 2.547 -3.817 0.517 233 H HIS 35 H HIS 35 0.313 -6.929 -1.951 234 HA HIS 35 HA HIS 35 -1.526 -8.705 -0.628 235 HB2 HIS 35 1HB HIS 35 -1.499 -7.426 -3.361 236 HB3 HIS 35 2HB HIS 35 -2.766 -8.535 -2.843 237 HD1 HIS 35 HD1 HIS 35 -3.805 -7.687 -0.334 238 HD2 HIS 35 HD2 HIS 35 -2.230 -4.869 -2.949 239 HE1 HIS 35 HE1 HIS 35 -4.791 -5.486 0.376 240 H SER 36 H SER 36 0.884 -9.988 -0.846 241 HA SER 36 HA SER 36 0.232 -12.134 -2.743 242 HB2 SER 36 1HB SER 36 2.880 -10.747 -2.386 243 HB3 SER 36 2HB SER 36 2.792 -12.398 -2.999 244 HG SER 36 HG SER 36 2.749 -10.546 -4.562 245 H GLY 37 H GLY 37 -0.494 -12.169 -0.089 246 HA2 GLY 37 1HA GLY 37 1.526 -13.695 1.361 247 HA3 GLY 37 2HA GLY 37 -0.018 -13.145 1.996 248 H GLU 38 H GLU 38 -1.963 -14.274 1.225 249 HA GLU 38 HA GLU 38 -1.397 -17.134 0.935 250 HB2 GLU 38 1HB GLU 38 -3.659 -17.505 1.734 251 HB3 GLU 38 2HB GLU 38 -2.810 -16.425 2.830 252 HG2 GLU 38 1HG GLU 38 -3.981 -14.531 2.003 253 HG3 GLU 38 2HG GLU 38 -4.670 -15.463 0.675 254 H LYS 39 H LYS 39 -1.027 -15.655 -1.369 255 HA LYS 39 HA LYS 39 -3.308 -16.530 -3.016 256 HB2 LYS 39 1HB LYS 39 -3.118 -14.039 -2.819 257 HB3 LYS 39 2HB LYS 39 -1.537 -14.147 -3.582 258 HG2 LYS 39 1HG LYS 39 -2.404 -14.596 -5.640 259 HG3 LYS 39 2HG LYS 39 -3.845 -15.378 -4.986 260 HD2 LYS 39 1HD LYS 39 -3.395 -12.437 -4.624 261 HD3 LYS 39 2HD LYS 39 -4.085 -13.068 -6.121 262 HE2 LYS 39 1HE LYS 39 -5.744 -14.299 -4.593 263 HE3 LYS 39 2HE LYS 39 -5.192 -13.196 -3.334 264 HZ1 LYS 39 3HZ LYS 39 -6.893 -12.689 -5.612 265 HZ2 LYS 39 1HZ LYS 39 -5.702 -11.514 -5.361 266 HZ3 LYS 39 2HZ LYS 39 -6.800 -11.881 -4.128 267 HA PRO 40 HA PRO 40 0.535 -18.740 -4.368 268 HB2 PRO 40 1HB PRO 40 -0.680 -21.150 -4.655 269 HB3 PRO 40 2HB PRO 40 -0.016 -20.586 -3.117 270 HG2 PRO 40 1HG PRO 40 -2.850 -20.556 -4.081 271 HG3 PRO 40 2HG PRO 40 -2.217 -20.993 -2.484 272 HD2 PRO 40 1HD PRO 40 -3.326 -18.577 -3.001 273 HD3 PRO 40 2HD PRO 40 -2.014 -18.793 -1.824 274 H SER 41 H SER 41 0.366 -17.459 -6.301 275 HA SER 41 HA SER 41 -0.899 -18.936 -8.498 276 HB2 SER 41 1HB SER 41 -1.118 -15.951 -8.044 277 HB3 SER 41 2HB SER 41 -1.595 -16.771 -9.530 278 HG SER 41 HG SER 41 -2.722 -17.011 -6.949 279 H GLY 42 H GLY 42 0.628 -19.474 -9.900 280 HA2 GLY 42 1HA GLY 42 2.157 -18.317 -11.576 281 HA3 GLY 42 2HA GLY 42 2.985 -17.716 -10.147 282 HA PRO 43 HA PRO 43 3.734 -22.512 -10.520 283 HB2 PRO 43 1HB PRO 43 3.463 -23.485 -13.040 284 HB3 PRO 43 2HB PRO 43 2.141 -23.475 -11.867 285 HG2 PRO 43 1HG PRO 43 2.698 -21.572 -14.109 286 HG3 PRO 43 2HG PRO 43 1.154 -22.279 -13.600 287 HD2 PRO 43 1HD PRO 43 1.891 -19.760 -12.935 288 HD3 PRO 43 2HD PRO 43 0.887 -20.772 -11.877 289 H SER 44 H SER 44 5.513 -23.756 -11.658 290 HA SER 44 HA SER 44 7.759 -22.100 -11.996 291 HB2 SER 44 1HB SER 44 7.324 -25.015 -12.675 292 HB3 SER 44 2HB SER 44 8.892 -24.213 -12.769 293 HG SER 44 HG SER 44 7.551 -25.147 -10.596 294 H SER 45 H SER 45 9.121 -21.862 -13.873 295 HA SER 45 HA SER 45 7.785 -22.213 -16.456 296 HB2 SER 45 1HB SER 45 8.922 -19.604 -15.427 297 HB3 SER 45 2HB SER 45 8.486 -19.894 -17.112 298 HG SER 45 HG SER 45 6.593 -19.232 -16.472 299 H GLY 46 H GLY 46 9.261 -21.975 -18.298 300 HA2 GLY 46 1HA GLY 46 11.972 -21.621 -18.263 301 HA3 GLY 46 2HA GLY 46 11.755 -23.291 -17.759 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -16.152 30.106 -20.485 2 HA2 GLY 1 1HA GLY 1 -16.433 32.673 -19.774 3 HA3 GLY 1 2HA GLY 1 -17.712 31.504 -19.479 4 H SER 2 H SER 2 -17.830 33.479 -17.813 5 HA SER 2 HA SER 2 -16.264 32.831 -15.425 6 HB2 SER 2 1HB SER 2 -18.033 35.198 -16.076 7 HB3 SER 2 2HB SER 2 -17.215 34.968 -14.531 8 HG SER 2 HG SER 2 -16.156 36.280 -16.295 9 H SER 3 H SER 3 -17.410 30.862 -14.994 10 HA SER 3 HA SER 3 -19.513 31.168 -13.140 11 HB2 SER 3 1HB SER 3 -20.617 31.419 -15.517 12 HB3 SER 3 2HB SER 3 -20.480 29.661 -15.542 13 HG SER 3 HG SER 3 -22.281 29.748 -14.458 14 H GLY 4 H GLY 4 -19.626 29.415 -11.834 15 HA2 GLY 4 1HA GLY 4 -19.613 26.981 -11.594 16 HA3 GLY 4 2HA GLY 4 -18.322 26.941 -12.786 17 H SER 5 H SER 5 -18.837 26.388 -9.686 18 HA SER 5 HA SER 5 -16.576 27.824 -8.567 19 HB2 SER 5 1HB SER 5 -18.855 27.126 -7.408 20 HB3 SER 5 2HB SER 5 -17.969 25.637 -7.080 21 HG SER 5 HG SER 5 -17.395 28.266 -6.232 22 H SER 6 H SER 6 -14.646 27.096 -9.225 23 HA SER 6 HA SER 6 -13.886 24.690 -10.205 24 HB2 SER 6 1HB SER 6 -11.620 25.195 -9.536 25 HB3 SER 6 2HB SER 6 -12.419 26.707 -9.966 26 HG SER 6 HG SER 6 -11.359 25.929 -7.591 27 H GLY 7 H GLY 7 -12.633 22.901 -9.244 28 HA2 GLY 7 1HA GLY 7 -12.440 22.241 -6.587 29 HA3 GLY 7 2HA GLY 7 -14.069 21.765 -7.043 30 H THR 8 H THR 8 -11.006 20.658 -6.692 31 HA THR 8 HA THR 8 -11.536 18.386 -8.474 32 HB THR 8 HB THR 8 -9.083 18.278 -9.001 33 HG1 THR 8 HG1 THR 8 -9.130 20.920 -7.923 34 HG21 THR 8 3HG2 THR 8 -10.854 19.259 -10.520 35 HG22 THR 8 1HG2 THR 8 -9.203 19.802 -10.818 36 HG23 THR 8 2HG2 THR 8 -10.334 20.847 -9.957 37 H GLY 9 H GLY 9 -9.936 16.545 -7.960 38 HA2 GLY 9 1HA GLY 9 -9.749 16.347 -5.021 39 HA3 GLY 9 2HA GLY 9 -10.010 14.984 -6.100 40 H GLU 10 H GLU 10 -8.126 14.408 -4.492 41 HA GLU 10 HA GLU 10 -5.639 14.852 -5.992 42 HB2 GLU 10 1HB GLU 10 -4.389 14.954 -3.863 43 HB3 GLU 10 2HB GLU 10 -5.515 16.291 -4.046 44 HG2 GLU 10 1HG GLU 10 -6.161 13.813 -2.478 45 HG3 GLU 10 2HG GLU 10 -5.403 15.237 -1.766 46 H LYS 11 H LYS 11 -7.141 12.673 -6.470 47 HA LYS 11 HA LYS 11 -5.682 10.522 -5.082 48 HB2 LYS 11 1HB LYS 11 -8.568 10.654 -5.922 49 HB3 LYS 11 2HB LYS 11 -7.757 9.113 -5.680 50 HG2 LYS 11 1HG LYS 11 -7.556 9.419 -3.408 51 HG3 LYS 11 2HG LYS 11 -7.664 11.177 -3.529 52 HD2 LYS 11 1HD LYS 11 -9.739 10.660 -2.675 53 HD3 LYS 11 2HD LYS 11 -10.077 10.670 -4.408 54 HE2 LYS 11 1HE LYS 11 -9.212 8.114 -3.159 55 HE3 LYS 11 2HE LYS 11 -10.851 8.680 -2.838 56 HZ1 LYS 11 3HZ LYS 11 -9.736 7.572 -5.244 57 HZ2 LYS 11 1HZ LYS 11 -10.609 8.995 -5.513 58 HZ3 LYS 11 2HZ LYS 11 -11.350 7.680 -4.751 59 HA PRO 12 HA PRO 12 -4.648 10.338 -9.575 60 HB2 PRO 12 1HB PRO 12 -2.049 9.666 -9.168 61 HB3 PRO 12 2HB PRO 12 -2.619 11.339 -9.175 62 HG2 PRO 12 1HG PRO 12 -2.043 9.543 -6.850 63 HG3 PRO 12 2HG PRO 12 -1.633 11.254 -7.071 64 HD2 PRO 12 1HD PRO 12 -3.742 10.442 -5.579 65 HD3 PRO 12 2HD PRO 12 -3.748 11.965 -6.490 66 H TYR 13 H TYR 13 -3.518 8.153 -6.997 67 HA TYR 13 HA TYR 13 -4.395 5.882 -8.637 68 HB2 TYR 13 1HB TYR 13 -1.733 6.125 -7.225 69 HB3 TYR 13 2HB TYR 13 -2.367 4.620 -7.883 70 HD1 TYR 13 HD2 TYR 13 -2.902 4.575 -10.400 71 HD2 TYR 13 HD1 TYR 13 -0.489 7.566 -8.575 72 HE1 TYR 13 HE2 TYR 13 -1.926 5.117 -12.592 73 HE2 TYR 13 HE1 TYR 13 0.493 8.117 -10.762 74 HH TYR 13 HH TYR 13 0.609 7.581 -12.916 75 H LYS 14 H LYS 14 -4.373 3.814 -7.265 76 HA LYS 14 HA LYS 14 -4.559 3.976 -4.451 77 HB2 LYS 14 1HB LYS 14 -6.877 3.952 -4.050 78 HB3 LYS 14 2HB LYS 14 -6.644 5.241 -5.224 79 HG2 LYS 14 1HG LYS 14 -7.149 3.338 -6.952 80 HG3 LYS 14 2HG LYS 14 -7.922 2.575 -5.560 81 HD2 LYS 14 1HD LYS 14 -9.653 3.783 -6.545 82 HD3 LYS 14 2HD LYS 14 -9.102 4.846 -5.248 83 HE2 LYS 14 1HE LYS 14 -7.791 6.136 -6.833 84 HE3 LYS 14 2HE LYS 14 -8.248 5.040 -8.136 85 HZ1 LYS 14 3HZ LYS 14 -9.539 7.320 -7.518 86 HZ2 LYS 14 1HZ LYS 14 -10.483 6.172 -6.709 87 HZ3 LYS 14 2HZ LYS 14 -10.221 6.030 -8.374 88 H CYS 15 H CYS 15 -5.269 1.948 -3.477 89 HA CYS 15 HA CYS 15 -4.581 -0.299 -5.181 90 HB2 CYS 15 1HB CYS 15 -3.592 -0.067 -2.918 91 HB3 CYS 15 2HB CYS 15 -5.199 -0.239 -2.220 92 H ASN 16 H ASN 16 -6.105 -1.311 -6.295 93 HA ASN 16 HA ASN 16 -8.886 -1.136 -5.521 94 HB2 ASN 16 1HB ASN 16 -9.400 -1.953 -7.647 95 HB3 ASN 16 2HB ASN 16 -7.910 -1.055 -7.926 96 HD21 ASN 16 1HD2 ASN 16 -5.914 -2.285 -7.990 97 HD22 ASN 16 2HD2 ASN 16 -5.944 -3.906 -8.586 98 H GLU 17 H GLU 17 -7.210 -2.546 -3.690 99 HA GLU 17 HA GLU 17 -8.460 -5.206 -3.847 100 HB2 GLU 17 1HB GLU 17 -5.669 -4.616 -2.845 101 HB3 GLU 17 2HB GLU 17 -6.455 -6.188 -2.831 102 HG2 GLU 17 1HG GLU 17 -6.147 -4.725 -5.408 103 HG3 GLU 17 2HG GLU 17 -4.766 -5.571 -4.712 104 H CYS 18 H CYS 18 -7.094 -2.682 -1.789 105 HA CYS 18 HA CYS 18 -8.745 -3.698 0.431 106 HB2 CYS 18 1HB CYS 18 -7.112 -2.682 1.968 107 HB3 CYS 18 2HB CYS 18 -6.363 -3.895 0.935 108 H GLY 19 H GLY 19 -7.384 -0.762 -1.040 109 HA2 GLY 19 1HA GLY 19 -9.114 0.974 -1.546 110 HA3 GLY 19 2HA GLY 19 -9.659 0.736 0.108 111 H LYS 20 H LYS 20 -6.346 0.973 -1.126 112 HA LYS 20 HA LYS 20 -5.941 3.262 0.676 113 HB2 LYS 20 1HB LYS 20 -4.572 1.219 1.093 114 HB3 LYS 20 2HB LYS 20 -3.858 1.416 -0.503 115 HG2 LYS 20 1HG LYS 20 -2.312 2.318 1.021 116 HG3 LYS 20 2HG LYS 20 -3.097 3.700 0.253 117 HD2 LYS 20 1HD LYS 20 -3.072 4.267 2.516 118 HD3 LYS 20 2HD LYS 20 -4.702 3.639 2.263 119 HE2 LYS 20 1HE LYS 20 -3.899 1.427 3.085 120 HE3 LYS 20 2HE LYS 20 -2.355 2.184 3.474 121 HZ1 LYS 20 3HZ LYS 20 -3.592 3.728 4.934 122 HZ2 LYS 20 1HZ LYS 20 -3.696 2.114 5.432 123 HZ3 LYS 20 2HZ LYS 20 -5.003 2.841 4.643 124 H ALA 21 H ALA 21 -6.028 5.147 -0.349 125 HA ALA 21 HA ALA 21 -5.293 5.336 -3.159 126 HB1 ALA 21 3HB ALA 21 -7.360 6.409 -2.310 127 HB2 ALA 21 1HB ALA 21 -6.359 7.489 -1.339 128 HB3 ALA 21 2HB ALA 21 -6.259 7.538 -3.099 129 H PHE 22 H PHE 22 -3.390 6.047 -3.861 130 HA PHE 22 HA PHE 22 -1.571 7.298 -1.919 131 HB2 PHE 22 1HB PHE 22 -0.868 5.947 -4.532 132 HB3 PHE 22 2HB PHE 22 0.258 6.505 -3.299 133 HD1 PHE 22 HD2 PHE 22 -2.400 4.041 -4.013 134 HD2 PHE 22 HD1 PHE 22 0.817 5.155 -1.458 135 HE1 PHE 22 HE2 PHE 22 -2.502 1.835 -2.928 136 HE2 PHE 22 HE1 PHE 22 0.721 2.950 -0.370 137 HZ PHE 22 HZ PHE 22 -0.940 1.287 -1.104 138 H ARG 23 H ARG 23 0.165 8.689 -3.158 139 HA ARG 23 HA ARG 23 -1.350 10.627 -4.770 140 HB2 ARG 23 1HB ARG 23 -0.413 11.416 -2.596 141 HB3 ARG 23 2HB ARG 23 1.199 11.078 -3.212 142 HG2 ARG 23 1HG ARG 23 0.840 12.709 -5.010 143 HG3 ARG 23 2HG ARG 23 -0.755 13.068 -4.345 144 HD2 ARG 23 1HD ARG 23 0.797 14.745 -3.598 145 HD3 ARG 23 2HD ARG 23 0.335 13.740 -2.224 146 HE ARG 23 HE ARG 23 2.499 12.951 -2.097 147 HH11 ARG 23 1HH1 ARG 23 2.067 14.803 -5.013 148 HH12 ARG 23 2HH1 ARG 23 3.760 14.871 -5.376 149 HH21 ARG 23 1HH2 ARG 23 4.730 13.034 -2.564 150 HH22 ARG 23 2HH2 ARG 23 5.274 13.864 -3.982 151 H ALA 24 H ALA 24 1.361 8.495 -4.766 152 HA ALA 24 HA ALA 24 2.062 9.421 -7.473 153 HB1 ALA 24 3HB ALA 24 3.717 9.575 -5.251 154 HB2 ALA 24 1HB ALA 24 4.279 8.147 -6.121 155 HB3 ALA 24 2HB ALA 24 4.203 9.706 -6.942 156 H ARG 25 H ARG 25 2.663 7.828 -8.963 157 HA ARG 25 HA ARG 25 1.308 5.405 -8.833 158 HB2 ARG 25 1HB ARG 25 2.237 6.597 -10.887 159 HB3 ARG 25 2HB ARG 25 3.782 5.853 -10.496 160 HG2 ARG 25 1HG ARG 25 2.863 3.656 -10.781 161 HG3 ARG 25 2HG ARG 25 1.241 4.319 -10.991 162 HD2 ARG 25 1HD ARG 25 2.000 3.842 -13.164 163 HD3 ARG 25 2HD ARG 25 2.182 5.586 -12.981 164 HE ARG 25 HE ARG 25 4.295 3.628 -13.250 165 HH11 ARG 25 1HH1 ARG 25 3.426 6.874 -12.343 166 HH12 ARG 25 2HH1 ARG 25 5.028 7.500 -12.549 167 HH21 ARG 25 1HH2 ARG 25 6.408 4.439 -13.525 168 HH22 ARG 25 2HH2 ARG 25 6.724 6.114 -13.222 169 H SER 26 H SER 26 4.798 5.998 -8.421 170 HA SER 26 HA SER 26 5.643 3.426 -7.929 171 HB2 SER 26 1HB SER 26 7.559 4.373 -6.833 172 HB3 SER 26 2HB SER 26 7.092 5.481 -8.123 173 HG SER 26 HG SER 26 6.420 5.747 -5.376 174 H SER 27 H SER 27 4.230 5.734 -5.650 175 HA SER 27 HA SER 27 4.584 4.295 -3.294 176 HB2 SER 27 1HB SER 27 2.478 6.268 -4.162 177 HB3 SER 27 2HB SER 27 2.458 5.544 -2.554 178 HG SER 27 HG SER 27 3.830 7.047 -2.057 179 H LEU 28 H LEU 28 2.066 4.060 -5.751 180 HA LEU 28 HA LEU 28 0.384 2.280 -4.337 181 HB2 LEU 28 1HB LEU 28 -0.475 3.526 -6.193 182 HB3 LEU 28 2HB LEU 28 0.716 2.816 -7.281 183 HG LEU 28 HG LEU 28 -0.424 0.584 -6.808 184 HD11 LEU 28 1HD1 LEU 28 -1.724 1.877 -4.859 185 HD12 LEU 28 2HD1 LEU 28 -2.379 0.462 -5.681 186 HD13 LEU 28 3HD1 LEU 28 -2.890 2.078 -6.167 187 HD21 LEU 28 3HD2 LEU 28 -2.187 2.587 -8.188 188 HD22 LEU 28 1HD2 LEU 28 -1.928 0.888 -8.584 189 HD23 LEU 28 2HD2 LEU 28 -0.646 2.065 -8.870 190 H ALA 29 H ALA 29 2.962 1.761 -6.715 191 HA ALA 29 HA ALA 29 2.734 -0.991 -7.020 192 HB1 ALA 29 3HB ALA 29 4.216 -0.143 -8.521 193 HB2 ALA 29 1HB ALA 29 4.927 0.976 -7.357 194 HB3 ALA 29 2HB ALA 29 5.361 -0.733 -7.317 195 H ILE 30 H ILE 30 5.058 0.686 -4.888 196 HA ILE 30 HA ILE 30 6.159 -1.382 -3.550 197 HB ILE 30 HB ILE 30 5.192 1.169 -2.254 198 HG12 ILE 30 1HG1 ILE 30 8.009 0.665 -3.126 199 HG13 ILE 30 2HG1 ILE 30 6.817 1.143 -4.330 200 HG21 ILE 30 1HG2 ILE 30 7.591 0.147 -1.112 201 HG22 ILE 30 2HG2 ILE 30 6.029 0.419 -0.343 202 HG23 ILE 30 3HG2 ILE 30 6.375 -1.130 -1.111 203 HD11 ILE 30 3HD1 ILE 30 7.905 2.683 -2.026 204 HD12 ILE 30 1HD1 ILE 30 7.711 3.162 -3.712 205 HD13 ILE 30 2HD1 ILE 30 6.302 3.062 -2.655 206 H HIS 31 H HIS 31 2.936 -0.063 -2.997 207 HA HIS 31 HA HIS 31 2.360 -1.636 -0.701 208 HB2 HIS 31 1HB HIS 31 1.133 0.430 -1.220 209 HB3 HIS 31 2HB HIS 31 0.467 -0.325 -2.665 210 HD1 HIS 31 HD1 HIS 31 0.570 -1.266 1.031 211 HD2 HIS 31 HD2 HIS 31 -2.053 -1.140 -2.188 212 HE1 HIS 31 HE1 HIS 31 -1.632 -2.090 1.925 213 H GLN 32 H GLN 32 1.349 -1.939 -4.106 214 HA GLN 32 HA GLN 32 -0.095 -4.288 -3.903 215 HB2 GLN 32 1HB GLN 32 1.655 -3.416 -6.209 216 HB3 GLN 32 2HB GLN 32 0.367 -4.610 -6.294 217 HG2 GLN 32 1HG GLN 32 -1.135 -2.691 -5.426 218 HG3 GLN 32 2HG GLN 32 0.178 -1.649 -5.973 219 HE21 GLN 32 1HE2 GLN 32 -1.829 -0.975 -7.271 220 HE22 GLN 32 2HE2 GLN 32 -1.992 -1.712 -8.825 221 H ALA 33 H ALA 33 3.325 -3.800 -3.763 222 HA ALA 33 HA ALA 33 4.361 -6.231 -4.534 223 HB1 ALA 33 3HB ALA 33 5.329 -3.981 -3.248 224 HB2 ALA 33 1HB ALA 33 5.621 -5.288 -2.099 225 HB3 ALA 33 2HB ALA 33 6.265 -5.393 -3.737 226 H THR 34 H THR 34 2.302 -5.558 -1.881 227 HA THR 34 HA THR 34 2.929 -8.137 -0.619 228 HB THR 34 HB THR 34 2.900 -6.061 0.809 229 HG1 THR 34 HG1 THR 34 2.502 -7.520 2.277 230 HG21 THR 34 3HG2 THR 34 -0.023 -6.113 1.019 231 HG22 THR 34 1HG2 THR 34 0.579 -5.474 -0.509 232 HG23 THR 34 2HG2 THR 34 1.088 -4.744 1.014 233 H HIS 35 H HIS 35 0.568 -6.483 -2.488 234 HA HIS 35 HA HIS 35 -1.602 -8.269 -1.798 235 HB2 HIS 35 1HB HIS 35 -1.272 -5.888 -3.564 236 HB3 HIS 35 2HB HIS 35 -2.588 -7.003 -3.918 237 HD1 HIS 35 HD1 HIS 35 -4.389 -7.320 -1.985 238 HD2 HIS 35 HD2 HIS 35 -1.716 -4.183 -1.460 239 HE1 HIS 35 HE1 HIS 35 -5.408 -5.859 -0.210 240 H SER 36 H SER 36 0.700 -9.596 -2.761 241 HA SER 36 HA SER 36 -0.403 -10.794 -5.208 242 HB2 SER 36 1HB SER 36 1.543 -9.318 -5.755 243 HB3 SER 36 2HB SER 36 2.550 -10.334 -4.724 244 HG SER 36 HG SER 36 2.543 -10.848 -7.036 245 H GLY 37 H GLY 37 -1.229 -12.576 -4.177 246 HA2 GLY 37 1HA GLY 37 0.783 -14.431 -3.091 247 HA3 GLY 37 2HA GLY 37 -0.688 -14.119 -2.183 248 H GLU 38 H GLU 38 -2.633 -14.135 -4.057 249 HA GLU 38 HA GLU 38 -2.746 -16.944 -4.742 250 HB2 GLU 38 1HB GLU 38 -4.788 -14.740 -5.079 251 HB3 GLU 38 2HB GLU 38 -5.083 -16.445 -5.388 252 HG2 GLU 38 1HG GLU 38 -4.311 -16.751 -2.927 253 HG3 GLU 38 2HG GLU 38 -4.687 -15.034 -2.791 254 H LYS 39 H LYS 39 -2.385 -17.791 -6.685 255 HA LYS 39 HA LYS 39 -1.811 -17.968 -8.881 256 HB2 LYS 39 1HB LYS 39 -3.837 -15.735 -9.045 257 HB3 LYS 39 2HB LYS 39 -3.143 -16.517 -10.459 258 HG2 LYS 39 1HG LYS 39 -4.499 -18.130 -8.337 259 HG3 LYS 39 2HG LYS 39 -5.433 -17.308 -9.588 260 HD2 LYS 39 1HD LYS 39 -3.111 -19.022 -10.363 261 HD3 LYS 39 2HD LYS 39 -4.649 -19.777 -9.938 262 HE2 LYS 39 1HE LYS 39 -5.724 -18.935 -11.770 263 HE3 LYS 39 2HE LYS 39 -4.695 -17.507 -11.854 264 HZ1 LYS 39 3HZ LYS 39 -4.505 -19.728 -13.430 265 HZ2 LYS 39 1HZ LYS 39 -3.234 -19.914 -12.329 266 HZ3 LYS 39 2HZ LYS 39 -3.336 -18.515 -13.273 267 HA PRO 40 HA PRO 40 0.986 -14.187 -8.432 268 HB2 PRO 40 1HB PRO 40 3.239 -15.537 -7.746 269 HB3 PRO 40 2HB PRO 40 2.076 -14.941 -6.556 270 HG2 PRO 40 1HG PRO 40 2.388 -17.696 -7.684 271 HG3 PRO 40 2HG PRO 40 2.096 -17.201 -6.007 272 HD2 PRO 40 1HD PRO 40 0.122 -18.110 -7.621 273 HD3 PRO 40 2HD PRO 40 -0.162 -16.897 -6.357 274 H SER 41 H SER 41 1.117 -13.772 -10.591 275 HA SER 41 HA SER 41 1.783 -15.497 -12.638 276 HB2 SER 41 1HB SER 41 2.456 -12.548 -12.507 277 HB3 SER 41 2HB SER 41 2.301 -13.519 -13.971 278 HG SER 41 HG SER 41 0.070 -13.935 -12.865 279 H GLY 42 H GLY 42 3.981 -13.300 -10.889 280 HA2 GLY 42 1HA GLY 42 6.115 -15.114 -10.774 281 HA3 GLY 42 2HA GLY 42 6.332 -14.118 -12.205 282 HA PRO 43 HA PRO 43 6.500 -11.114 -8.410 283 HB2 PRO 43 1HB PRO 43 6.650 -12.278 -5.962 284 HB3 PRO 43 2HB PRO 43 5.117 -11.841 -6.725 285 HG2 PRO 43 1HG PRO 43 6.471 -14.507 -6.586 286 HG3 PRO 43 2HG PRO 43 4.757 -14.109 -6.363 287 HD2 PRO 43 1HD PRO 43 5.728 -15.130 -8.676 288 HD3 PRO 43 2HD PRO 43 4.358 -14.001 -8.631 289 H SER 44 H SER 44 8.345 -13.712 -9.251 290 HA SER 44 HA SER 44 10.673 -12.790 -7.700 291 HB2 SER 44 1HB SER 44 11.666 -14.985 -8.116 292 HB3 SER 44 2HB SER 44 10.079 -15.169 -7.371 293 HG SER 44 HG SER 44 10.636 -15.379 -10.148 294 H SER 45 H SER 45 12.396 -11.961 -8.724 295 HA SER 45 HA SER 45 12.186 -11.522 -11.588 296 HB2 SER 45 1HB SER 45 12.920 -9.814 -9.718 297 HB3 SER 45 2HB SER 45 14.504 -10.552 -9.958 298 HG SER 45 HG SER 45 13.053 -9.751 -12.211 299 H GLY 46 H GLY 46 12.577 -13.667 -12.321 300 HA2 GLY 46 1HA GLY 46 13.865 -15.547 -12.789 301 HA3 GLY 46 2HA GLY 46 14.952 -14.295 -13.372 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -22.601 8.512 0.738 2 HA2 GLY 1 1HA GLY 1 -23.799 10.686 -0.819 3 HA3 GLY 1 2HA GLY 1 -24.232 10.560 0.879 4 H SER 2 H SER 2 -22.882 12.744 -0.454 5 HA SER 2 HA SER 2 -20.539 12.876 1.284 6 HB2 SER 2 1HB SER 2 -19.619 12.141 -0.851 7 HB3 SER 2 2HB SER 2 -20.447 13.454 -1.688 8 HG SER 2 HG SER 2 -18.613 13.942 0.405 9 H SER 3 H SER 3 -19.937 14.976 1.877 10 HA SER 3 HA SER 3 -22.014 16.989 1.370 11 HB2 SER 3 1HB SER 3 -21.555 16.309 3.740 12 HB3 SER 3 2HB SER 3 -19.931 16.974 3.566 13 HG SER 3 HG SER 3 -20.750 18.985 3.434 14 H GLY 4 H GLY 4 -21.293 19.271 1.262 15 HA2 GLY 4 1HA GLY 4 -19.620 19.787 -0.845 16 HA3 GLY 4 2HA GLY 4 -19.974 20.958 0.417 17 H SER 5 H SER 5 -17.507 19.734 -1.202 18 HA SER 5 HA SER 5 -15.648 20.202 0.998 19 HB2 SER 5 1HB SER 5 -15.613 17.709 -0.718 20 HB3 SER 5 2HB SER 5 -14.302 18.198 0.356 21 HG SER 5 HG SER 5 -16.234 18.265 1.948 22 H SER 6 H SER 6 -13.504 20.729 0.305 23 HA SER 6 HA SER 6 -13.493 22.118 -2.232 24 HB2 SER 6 1HB SER 6 -11.213 22.877 -1.462 25 HB3 SER 6 2HB SER 6 -12.536 23.300 -0.376 26 HG SER 6 HG SER 6 -11.427 22.299 1.090 27 H GLY 7 H GLY 7 -11.553 19.567 -0.679 28 HA2 GLY 7 1HA GLY 7 -10.954 18.507 -3.349 29 HA3 GLY 7 2HA GLY 7 -9.608 18.891 -2.286 30 H THR 8 H THR 8 -12.618 17.003 -2.386 31 HA THR 8 HA THR 8 -11.287 14.983 -0.700 32 HB THR 8 HB THR 8 -14.248 15.565 -0.903 33 HG1 THR 8 HG1 THR 8 -12.568 16.905 0.423 34 HG21 THR 8 3HG2 THR 8 -13.738 13.176 -0.544 35 HG22 THR 8 1HG2 THR 8 -14.517 13.911 0.857 36 HG23 THR 8 2HG2 THR 8 -12.779 13.611 0.871 37 H GLY 9 H GLY 9 -10.528 13.506 -2.114 38 HA2 GLY 9 1HA GLY 9 -11.049 11.458 -3.252 39 HA3 GLY 9 2HA GLY 9 -12.512 12.216 -3.863 40 H GLU 10 H GLU 10 -9.218 13.511 -3.873 41 HA GLU 10 HA GLU 10 -9.314 13.472 -6.819 42 HB2 GLU 10 1HB GLU 10 -8.055 15.550 -6.833 43 HB3 GLU 10 2HB GLU 10 -9.530 15.747 -5.897 44 HG2 GLU 10 1HG GLU 10 -8.090 15.265 -3.849 45 HG3 GLU 10 2HG GLU 10 -6.709 15.527 -4.913 46 H LYS 11 H LYS 11 -8.234 11.414 -5.111 47 HA LYS 11 HA LYS 11 -5.393 11.647 -4.998 48 HB2 LYS 11 1HB LYS 11 -7.216 9.243 -4.821 49 HB3 LYS 11 2HB LYS 11 -5.479 9.182 -4.553 50 HG2 LYS 11 1HG LYS 11 -7.234 11.022 -2.969 51 HG3 LYS 11 2HG LYS 11 -7.018 9.331 -2.514 52 HD2 LYS 11 1HD LYS 11 -4.674 9.626 -2.220 53 HD3 LYS 11 2HD LYS 11 -4.720 11.228 -2.961 54 HE2 LYS 11 1HE LYS 11 -6.122 10.488 -0.396 55 HE3 LYS 11 2HE LYS 11 -4.542 11.265 -0.479 56 HZ1 LYS 11 3HZ LYS 11 -6.669 12.554 -1.977 57 HZ2 LYS 11 1HZ LYS 11 -5.443 13.235 -1.032 58 HZ3 LYS 11 2HZ LYS 11 -6.828 12.605 -0.294 59 HA PRO 12 HA PRO 12 -4.336 10.658 -9.155 60 HB2 PRO 12 1HB PRO 12 -1.832 9.693 -8.747 61 HB3 PRO 12 2HB PRO 12 -2.228 11.412 -8.640 62 HG2 PRO 12 1HG PRO 12 -1.903 9.403 -6.445 63 HG3 PRO 12 2HG PRO 12 -1.315 11.074 -6.528 64 HD2 PRO 12 1HD PRO 12 -3.536 10.378 -5.145 65 HD3 PRO 12 2HD PRO 12 -3.362 11.956 -5.940 66 H TYR 13 H TYR 13 -3.373 8.178 -6.775 67 HA TYR 13 HA TYR 13 -4.439 6.135 -8.605 68 HB2 TYR 13 1HB TYR 13 -1.821 6.127 -7.116 69 HB3 TYR 13 2HB TYR 13 -2.575 4.638 -7.673 70 HD1 TYR 13 HD1 TYR 13 -1.032 7.807 -8.753 71 HD2 TYR 13 HD2 TYR 13 -2.537 4.023 -9.984 72 HE1 TYR 13 HE1 TYR 13 -0.008 8.126 -10.967 73 HE2 TYR 13 HE2 TYR 13 -1.516 4.331 -12.200 74 HH TYR 13 HH TYR 13 -0.434 5.733 -13.550 75 H LYS 14 H LYS 14 -5.202 4.203 -7.591 76 HA LYS 14 HA LYS 14 -5.493 4.217 -4.696 77 HB2 LYS 14 1HB LYS 14 -7.444 5.475 -5.906 78 HB3 LYS 14 2HB LYS 14 -7.987 3.853 -6.317 79 HG2 LYS 14 1HG LYS 14 -8.215 3.266 -4.018 80 HG3 LYS 14 2HG LYS 14 -7.436 4.765 -3.504 81 HD2 LYS 14 1HD LYS 14 -9.973 4.752 -5.117 82 HD3 LYS 14 2HD LYS 14 -9.982 4.660 -3.354 83 HE2 LYS 14 1HE LYS 14 -8.417 6.749 -3.539 84 HE3 LYS 14 2HE LYS 14 -9.140 6.902 -5.140 85 HZ1 LYS 14 3HZ LYS 14 -10.191 7.842 -2.808 86 HZ2 LYS 14 1HZ LYS 14 -11.092 6.441 -3.102 87 HZ3 LYS 14 2HZ LYS 14 -11.023 7.662 -4.270 88 H CYS 15 H CYS 15 -5.632 2.203 -3.833 89 HA CYS 15 HA CYS 15 -5.079 -0.018 -5.561 90 HB2 CYS 15 1HB CYS 15 -4.110 0.318 -3.248 91 HB3 CYS 15 2HB CYS 15 -5.692 -0.114 -2.605 92 H ASN 16 H ASN 16 -6.355 -1.783 -6.019 93 HA ASN 16 HA ASN 16 -9.227 -1.389 -5.576 94 HB2 ASN 16 1HB ASN 16 -9.570 -2.899 -7.451 95 HB3 ASN 16 2HB ASN 16 -8.441 -1.630 -7.915 96 HD21 ASN 16 1HD2 ASN 16 -6.682 -2.260 -8.923 97 HD22 ASN 16 2HD2 ASN 16 -5.984 -3.840 -8.863 98 H GLU 17 H GLU 17 -6.858 -2.857 -3.999 99 HA GLU 17 HA GLU 17 -8.276 -5.377 -3.521 100 HB2 GLU 17 1HB GLU 17 -5.541 -4.492 -2.584 101 HB3 GLU 17 2HB GLU 17 -6.244 -6.086 -2.345 102 HG2 GLU 17 1HG GLU 17 -4.901 -6.467 -4.152 103 HG3 GLU 17 2HG GLU 17 -6.427 -6.081 -4.946 104 H CYS 18 H CYS 18 -6.769 -2.726 -1.677 105 HA CYS 18 HA CYS 18 -8.575 -3.367 0.559 106 HB2 CYS 18 1HB CYS 18 -6.930 -2.101 1.964 107 HB3 CYS 18 2HB CYS 18 -6.279 -3.568 1.238 108 H GLY 19 H GLY 19 -7.131 -0.675 -1.253 109 HA2 GLY 19 1HA GLY 19 -8.726 1.057 -2.008 110 HA3 GLY 19 2HA GLY 19 -9.426 0.981 -0.398 111 H LYS 20 H LYS 20 -5.980 0.835 -0.873 112 HA LYS 20 HA LYS 20 -5.679 3.283 0.659 113 HB2 LYS 20 1HB LYS 20 -4.325 1.303 1.222 114 HB3 LYS 20 2HB LYS 20 -3.595 1.351 -0.378 115 HG2 LYS 20 1HG LYS 20 -2.048 2.316 1.132 116 HG3 LYS 20 2HG LYS 20 -2.735 3.635 0.181 117 HD2 LYS 20 1HD LYS 20 -2.722 4.421 2.397 118 HD3 LYS 20 2HD LYS 20 -4.392 3.933 2.095 119 HE2 LYS 20 1HE LYS 20 -3.923 1.774 3.197 120 HE3 LYS 20 2HE LYS 20 -2.290 2.333 3.553 121 HZ1 LYS 20 3HZ LYS 20 -4.797 3.590 4.531 122 HZ2 LYS 20 1HZ LYS 20 -3.229 4.125 4.873 123 HZ3 LYS 20 2HZ LYS 20 -3.755 2.624 5.448 124 H ALA 21 H ALA 21 -5.486 5.196 -0.282 125 HA ALA 21 HA ALA 21 -4.697 5.340 -3.096 126 HB1 ALA 21 3HB ALA 21 -5.625 7.564 -3.092 127 HB2 ALA 21 1HB ALA 21 -6.786 6.449 -2.372 128 HB3 ALA 21 2HB ALA 21 -5.830 7.514 -1.341 129 H PHE 22 H PHE 22 -2.743 6.000 -3.698 130 HA PHE 22 HA PHE 22 -0.999 7.220 -1.673 131 HB2 PHE 22 1HB PHE 22 -0.246 5.852 -4.265 132 HB3 PHE 22 2HB PHE 22 0.874 6.448 -3.044 133 HD1 PHE 22 HD2 PHE 22 -1.840 3.994 -3.626 134 HD2 PHE 22 HD1 PHE 22 1.506 5.106 -1.242 135 HE1 PHE 22 HE2 PHE 22 -1.934 1.817 -2.486 136 HE2 PHE 22 HE1 PHE 22 1.418 2.929 -0.098 137 HZ PHE 22 HZ PHE 22 -0.304 1.282 -0.719 138 H ARG 23 H ARG 23 0.885 8.473 -3.026 139 HA ARG 23 HA ARG 23 -0.502 10.389 -4.782 140 HB2 ARG 23 1HB ARG 23 0.121 11.069 -2.298 141 HB3 ARG 23 2HB ARG 23 1.709 11.323 -3.009 142 HG2 ARG 23 1HG ARG 23 0.725 12.871 -4.635 143 HG3 ARG 23 2HG ARG 23 -0.856 12.632 -3.888 144 HD2 ARG 23 1HD ARG 23 1.566 13.661 -2.420 145 HD3 ARG 23 2HD ARG 23 0.347 14.700 -3.157 146 HE ARG 23 HE ARG 23 -1.116 14.160 -1.456 147 HH11 ARG 23 1HH1 ARG 23 1.714 12.140 -1.293 148 HH12 ARG 23 2HH1 ARG 23 1.336 11.514 0.278 149 HH21 ARG 23 1HH2 ARG 23 -1.624 13.344 0.612 150 HH22 ARG 23 2HH2 ARG 23 -0.563 12.199 1.360 151 H ALA 24 H ALA 24 1.259 8.050 -5.321 152 HA ALA 24 HA ALA 24 2.884 9.276 -7.323 153 HB1 ALA 24 3HB ALA 24 4.471 7.751 -5.291 154 HB2 ALA 24 1HB ALA 24 5.034 8.855 -6.546 155 HB3 ALA 24 2HB ALA 24 4.206 9.486 -5.122 156 H ARG 25 H ARG 25 3.167 7.902 -8.981 157 HA ARG 25 HA ARG 25 1.823 5.555 -9.270 158 HB2 ARG 25 1HB ARG 25 4.326 6.574 -10.574 159 HB3 ARG 25 2HB ARG 25 3.690 4.990 -10.995 160 HG2 ARG 25 1HG ARG 25 1.871 5.847 -12.063 161 HG3 ARG 25 2HG ARG 25 1.822 7.294 -11.054 162 HD2 ARG 25 1HD ARG 25 3.547 8.328 -12.258 163 HD3 ARG 25 2HD ARG 25 4.052 6.812 -13.002 164 HE ARG 25 HE ARG 25 1.912 8.549 -13.864 165 HH11 ARG 25 1HH1 ARG 25 3.314 5.367 -14.027 166 HH12 ARG 25 2HH1 ARG 25 2.558 4.969 -15.534 167 HH21 ARG 25 1HH2 ARG 25 0.911 8.037 -15.849 168 HH22 ARG 25 2HH2 ARG 25 1.192 6.488 -16.570 169 H SER 26 H SER 26 5.156 5.931 -8.123 170 HA SER 26 HA SER 26 5.611 3.131 -7.820 171 HB2 SER 26 1HB SER 26 7.645 3.837 -6.582 172 HB3 SER 26 2HB SER 26 7.486 4.656 -8.135 173 HG SER 26 HG SER 26 6.935 5.687 -5.555 174 H SER 27 H SER 27 4.572 5.727 -5.677 175 HA SER 27 HA SER 27 4.769 4.462 -3.221 176 HB2 SER 27 1HB SER 27 2.779 6.485 -4.252 177 HB3 SER 27 2HB SER 27 2.789 5.939 -2.575 178 HG SER 27 HG SER 27 5.033 6.625 -2.535 179 H LEU 28 H LEU 28 2.314 4.143 -5.714 180 HA LEU 28 HA LEU 28 0.574 2.526 -4.090 181 HB2 LEU 28 1HB LEU 28 -0.520 3.785 -5.732 182 HB3 LEU 28 2HB LEU 28 0.628 3.311 -6.983 183 HG LEU 28 HG LEU 28 -0.366 0.935 -6.630 184 HD11 LEU 28 1HD1 LEU 28 -2.316 0.686 -5.528 185 HD12 LEU 28 2HD1 LEU 28 -2.895 2.294 -5.962 186 HD13 LEU 28 3HD1 LEU 28 -1.745 2.098 -4.640 187 HD21 LEU 28 3HD2 LEU 28 -2.412 2.595 -7.914 188 HD22 LEU 28 1HD2 LEU 28 -1.437 1.280 -8.570 189 HD23 LEU 28 2HD2 LEU 28 -0.764 2.907 -8.461 190 H ALA 29 H ALA 29 2.819 1.945 -6.777 191 HA ALA 29 HA ALA 29 2.401 -0.779 -7.115 192 HB1 ALA 29 3HB ALA 29 3.921 -0.437 -8.691 193 HB2 ALA 29 1HB ALA 29 4.270 1.153 -8.013 194 HB3 ALA 29 2HB ALA 29 5.172 -0.259 -7.460 195 H ILE 30 H ILE 30 5.036 0.718 -5.225 196 HA ILE 30 HA ILE 30 6.216 -1.413 -4.091 197 HB ILE 30 HB ILE 30 5.427 1.082 -2.582 198 HG12 ILE 30 1HG1 ILE 30 8.145 0.617 -3.725 199 HG13 ILE 30 2HG1 ILE 30 6.855 1.098 -4.821 200 HG21 ILE 30 1HG2 ILE 30 6.417 -1.182 -1.480 201 HG22 ILE 30 2HG2 ILE 30 7.907 -0.335 -1.893 202 HG23 ILE 30 3HG2 ILE 30 6.713 0.439 -0.852 203 HD11 ILE 30 3HD1 ILE 30 8.212 2.630 -2.692 204 HD12 ILE 30 1HD1 ILE 30 7.632 3.147 -4.275 205 HD13 ILE 30 2HD1 ILE 30 6.494 2.942 -2.942 206 H HIS 31 H HIS 31 3.077 -0.103 -3.169 207 HA HIS 31 HA HIS 31 2.737 -1.849 -0.926 208 HB2 HIS 31 1HB HIS 31 1.461 0.073 -0.710 209 HB3 HIS 31 2HB HIS 31 0.994 0.080 -2.408 210 HD1 HIS 31 HD1 HIS 31 0.343 -2.091 0.655 211 HD2 HIS 31 HD2 HIS 31 -1.554 -0.728 -2.781 212 HE1 HIS 31 HE1 HIS 31 -2.012 -2.959 0.799 213 H GLN 32 H GLN 32 1.496 -1.789 -4.252 214 HA GLN 32 HA GLN 32 -0.216 -3.935 -4.192 215 HB2 GLN 32 1HB GLN 32 1.677 -3.123 -6.403 216 HB3 GLN 32 2HB GLN 32 0.343 -4.251 -6.602 217 HG2 GLN 32 1HG GLN 32 -1.052 -2.248 -5.618 218 HG3 GLN 32 2HG GLN 32 0.302 -1.306 -6.238 219 HE21 GLN 32 1HE2 GLN 32 -1.902 -0.646 -7.377 220 HE22 GLN 32 2HE2 GLN 32 -2.104 -1.348 -8.943 221 H ALA 33 H ALA 33 3.178 -3.949 -3.780 222 HA ALA 33 HA ALA 33 3.610 -6.679 -4.569 223 HB1 ALA 33 3HB ALA 33 5.461 -5.135 -2.793 224 HB2 ALA 33 1HB ALA 33 5.839 -6.358 -4.006 225 HB3 ALA 33 2HB ALA 33 5.321 -4.749 -4.508 226 H THR 34 H THR 34 1.774 -5.608 -2.212 227 HA THR 34 HA THR 34 2.720 -7.540 -0.201 228 HB THR 34 HB THR 34 2.432 -5.122 0.502 229 HG1 THR 34 HG1 THR 34 2.369 -6.940 1.975 230 HG21 THR 34 3HG2 THR 34 0.520 -4.068 0.068 231 HG22 THR 34 1HG2 THR 34 -0.353 -5.240 1.054 232 HG23 THR 34 2HG2 THR 34 -0.127 -5.533 -0.670 233 H HIS 35 H HIS 35 0.212 -6.814 -2.429 234 HA HIS 35 HA HIS 35 -1.728 -8.565 -1.165 235 HB2 HIS 35 1HB HIS 35 -1.749 -6.886 -3.666 236 HB3 HIS 35 2HB HIS 35 -3.033 -8.040 -3.318 237 HD1 HIS 35 HD1 HIS 35 -4.291 -7.600 -0.937 238 HD2 HIS 35 HD2 HIS 35 -2.111 -4.445 -2.535 239 HE1 HIS 35 HE1 HIS 35 -5.130 -5.540 0.237 240 H SER 36 H SER 36 0.179 -8.485 -4.163 241 HA SER 36 HA SER 36 -0.646 -10.785 -5.385 242 HB2 SER 36 1HB SER 36 1.989 -9.383 -5.253 243 HB3 SER 36 2HB SER 36 1.924 -10.973 -6.012 244 HG SER 36 HG SER 36 1.380 -8.758 -7.176 245 H GLY 37 H GLY 37 -0.033 -12.968 -5.347 246 HA2 GLY 37 1HA GLY 37 1.808 -14.331 -3.958 247 HA3 GLY 37 2HA GLY 37 0.656 -13.929 -2.694 248 H GLU 38 H GLU 38 0.458 -15.094 -6.062 249 HA GLU 38 HA GLU 38 -0.711 -16.802 -7.006 250 HB2 GLU 38 1HB GLU 38 -0.012 -17.847 -4.309 251 HB3 GLU 38 2HB GLU 38 -1.207 -18.739 -5.240 252 HG2 GLU 38 1HG GLU 38 0.468 -18.757 -7.130 253 HG3 GLU 38 2HG GLU 38 1.648 -18.162 -5.964 254 H LYS 39 H LYS 39 -2.218 -14.628 -6.183 255 HA LYS 39 HA LYS 39 -4.692 -15.870 -5.176 256 HB2 LYS 39 1HB LYS 39 -3.689 -13.030 -5.022 257 HB3 LYS 39 2HB LYS 39 -5.365 -13.457 -4.699 258 HG2 LYS 39 1HG LYS 39 -4.564 -15.000 -2.921 259 HG3 LYS 39 2HG LYS 39 -2.932 -14.383 -3.189 260 HD2 LYS 39 1HD LYS 39 -3.767 -13.144 -1.373 261 HD3 LYS 39 2HD LYS 39 -3.910 -12.070 -2.766 262 HE2 LYS 39 1HE LYS 39 -5.935 -11.911 -1.515 263 HE3 LYS 39 2HE LYS 39 -6.286 -12.809 -2.992 264 HZ1 LYS 39 3HZ LYS 39 -5.863 -14.860 -1.540 265 HZ2 LYS 39 1HZ LYS 39 -7.327 -14.034 -1.346 266 HZ3 LYS 39 2HZ LYS 39 -6.077 -13.815 -0.227 267 HA PRO 40 HA PRO 40 -5.486 -14.995 -9.634 268 HB2 PRO 40 1HB PRO 40 -6.992 -17.220 -10.022 269 HB3 PRO 40 2HB PRO 40 -5.229 -17.221 -10.140 270 HG2 PRO 40 1HG PRO 40 -6.975 -18.076 -7.864 271 HG3 PRO 40 2HG PRO 40 -5.528 -18.862 -8.520 272 HD2 PRO 40 1HD PRO 40 -5.473 -17.347 -6.277 273 HD3 PRO 40 2HD PRO 40 -4.097 -17.449 -7.394 274 H SER 41 H SER 41 -7.179 -14.891 -6.810 275 HA SER 41 HA SER 41 -9.857 -14.786 -7.852 276 HB2 SER 41 1HB SER 41 -10.506 -14.151 -5.597 277 HB3 SER 41 2HB SER 41 -9.353 -15.483 -5.516 278 HG SER 41 HG SER 41 -8.321 -12.899 -5.440 279 H GLY 42 H GLY 42 -8.552 -13.130 -9.454 280 HA2 GLY 42 1HA GLY 42 -9.739 -10.926 -9.960 281 HA3 GLY 42 2HA GLY 42 -9.051 -10.411 -8.427 282 HA PRO 43 HA PRO 43 -5.306 -11.026 -11.429 283 HB2 PRO 43 1HB PRO 43 -5.904 -11.481 -14.038 284 HB3 PRO 43 2HB PRO 43 -5.682 -12.782 -12.862 285 HG2 PRO 43 1HG PRO 43 -8.219 -11.571 -13.891 286 HG3 PRO 43 2HG PRO 43 -7.826 -13.278 -13.616 287 HD2 PRO 43 1HD PRO 43 -9.302 -11.824 -11.872 288 HD3 PRO 43 2HD PRO 43 -8.225 -13.135 -11.350 289 H SER 44 H SER 44 -7.989 -9.114 -11.645 290 HA SER 44 HA SER 44 -7.909 -7.404 -13.686 291 HB2 SER 44 1HB SER 44 -7.938 -6.572 -10.775 292 HB3 SER 44 2HB SER 44 -8.441 -5.552 -12.123 293 HG SER 44 HG SER 44 -9.588 -8.089 -11.615 294 H SER 45 H SER 45 -5.936 -6.589 -10.835 295 HA SER 45 HA SER 45 -4.046 -5.232 -12.615 296 HB2 SER 45 1HB SER 45 -4.674 -5.000 -9.685 297 HB3 SER 45 2HB SER 45 -3.148 -4.388 -10.323 298 HG SER 45 HG SER 45 -4.436 -3.147 -11.822 299 H GLY 46 H GLY 46 -2.634 -6.724 -13.370 300 HA2 GLY 46 1HA GLY 46 -0.799 -8.108 -13.331 301 HA3 GLY 46 2HA GLY 46 -0.613 -7.697 -11.633 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -10.868 15.995 21.027 2 HA2 GLY 1 1HA GLY 1 -12.574 15.535 19.537 3 HA3 GLY 1 2HA GLY 1 -12.913 17.257 19.456 4 H SER 2 H SER 2 -13.046 15.674 17.203 5 HA SER 2 HA SER 2 -10.890 16.840 15.605 6 HB2 SER 2 1HB SER 2 -10.644 14.713 14.333 7 HB3 SER 2 2HB SER 2 -10.136 14.568 16.015 8 HG SER 2 HG SER 2 -12.783 13.949 15.337 9 H SER 3 H SER 3 -11.603 17.735 13.772 10 HA SER 3 HA SER 3 -14.243 16.931 12.751 11 HB2 SER 3 1HB SER 3 -14.297 19.096 14.077 12 HB3 SER 3 2HB SER 3 -13.286 19.796 12.813 13 HG SER 3 HG SER 3 -15.045 20.083 11.724 14 H GLY 4 H GLY 4 -11.838 15.953 11.765 15 HA2 GLY 4 1HA GLY 4 -11.097 15.497 9.603 16 HA3 GLY 4 2HA GLY 4 -12.005 16.887 9.026 17 H SER 5 H SER 5 -8.957 15.715 10.105 18 HA SER 5 HA SER 5 -7.759 18.349 10.282 19 HB2 SER 5 1HB SER 5 -6.438 15.626 10.384 20 HB3 SER 5 2HB SER 5 -5.700 17.164 10.833 21 HG SER 5 HG SER 5 -7.223 15.530 12.318 22 H SER 6 H SER 6 -6.057 19.081 8.931 23 HA SER 6 HA SER 6 -6.499 18.845 6.204 24 HB2 SER 6 1HB SER 6 -4.353 19.994 5.905 25 HB3 SER 6 2HB SER 6 -5.262 20.714 7.234 26 HG SER 6 HG SER 6 -3.041 18.965 7.375 27 H GLY 7 H GLY 7 -4.946 18.051 4.542 28 HA2 GLY 7 1HA GLY 7 -2.937 16.414 4.467 29 HA3 GLY 7 2HA GLY 7 -4.070 15.342 5.278 30 H THR 8 H THR 8 -6.407 15.841 3.944 31 HA THR 8 HA THR 8 -6.085 14.292 1.605 32 HB THR 8 HB THR 8 -8.481 14.782 1.178 33 HG1 THR 8 HG1 THR 8 -8.559 16.913 1.990 34 HG21 THR 8 3HG2 THR 8 -7.935 14.132 4.075 35 HG22 THR 8 1HG2 THR 8 -7.760 12.987 2.745 36 HG23 THR 8 2HG2 THR 8 -9.345 13.658 3.128 37 H GLY 9 H GLY 9 -6.621 14.879 -0.590 38 HA2 GLY 9 1HA GLY 9 -6.827 17.616 -1.382 39 HA3 GLY 9 2HA GLY 9 -5.197 17.002 -1.615 40 H GLU 10 H GLU 10 -5.078 14.882 -2.839 41 HA GLU 10 HA GLU 10 -7.227 14.584 -4.801 42 HB2 GLU 10 1HB GLU 10 -5.769 14.738 -6.686 43 HB3 GLU 10 2HB GLU 10 -5.514 16.177 -5.709 44 HG2 GLU 10 1HG GLU 10 -3.752 13.790 -5.366 45 HG3 GLU 10 2HG GLU 10 -3.480 14.922 -6.689 46 H LYS 11 H LYS 11 -7.336 12.552 -5.778 47 HA LYS 11 HA LYS 11 -5.498 10.518 -4.703 48 HB2 LYS 11 1HB LYS 11 -8.491 10.539 -4.772 49 HB3 LYS 11 2HB LYS 11 -7.635 9.007 -4.884 50 HG2 LYS 11 1HG LYS 11 -8.019 9.174 -2.626 51 HG3 LYS 11 2HG LYS 11 -6.391 9.844 -2.764 52 HD2 LYS 11 1HD LYS 11 -7.377 11.447 -1.459 53 HD3 LYS 11 2HD LYS 11 -7.714 12.105 -3.062 54 HE2 LYS 11 1HE LYS 11 -9.798 12.246 -2.135 55 HE3 LYS 11 2HE LYS 11 -9.887 10.628 -2.829 56 HZ1 LYS 11 3HZ LYS 11 -9.944 9.676 -0.813 57 HZ2 LYS 11 1HZ LYS 11 -10.465 11.197 -0.287 58 HZ3 LYS 11 2HZ LYS 11 -8.838 10.761 -0.132 59 HA PRO 12 HA PRO 12 -5.497 10.281 -9.309 60 HB2 PRO 12 1HB PRO 12 -2.841 9.751 -9.495 61 HB3 PRO 12 2HB PRO 12 -3.488 11.392 -9.389 62 HG2 PRO 12 1HG PRO 12 -2.306 9.680 -7.237 63 HG3 PRO 12 2HG PRO 12 -2.050 11.404 -7.561 64 HD2 PRO 12 1HD PRO 12 -3.721 10.519 -5.623 65 HD3 PRO 12 2HD PRO 12 -4.015 12.020 -6.525 66 H TYR 13 H TYR 13 -3.662 8.216 -7.056 67 HA TYR 13 HA TYR 13 -4.464 5.884 -8.668 68 HB2 TYR 13 1HB TYR 13 -2.089 6.225 -6.826 69 HB3 TYR 13 2HB TYR 13 -2.511 4.731 -7.655 70 HD1 TYR 13 HD1 TYR 13 -1.215 8.141 -8.076 71 HD2 TYR 13 HD2 TYR 13 -2.100 4.460 -10.017 72 HE1 TYR 13 HE1 TYR 13 0.095 8.863 -10.028 73 HE2 TYR 13 HE2 TYR 13 -0.791 5.171 -11.974 74 HH TYR 13 HH TYR 13 0.739 6.690 -12.714 75 H LYS 14 H LYS 14 -5.453 4.166 -7.705 76 HA LYS 14 HA LYS 14 -5.774 4.130 -4.807 77 HB2 LYS 14 1HB LYS 14 -7.680 5.436 -5.482 78 HB3 LYS 14 2HB LYS 14 -8.079 4.287 -6.753 79 HG2 LYS 14 1HG LYS 14 -9.593 3.672 -5.169 80 HG3 LYS 14 2HG LYS 14 -8.250 2.615 -4.729 81 HD2 LYS 14 1HD LYS 14 -7.698 3.874 -2.868 82 HD3 LYS 14 2HD LYS 14 -8.467 5.332 -3.500 83 HE2 LYS 14 1HE LYS 14 -10.642 3.862 -3.312 84 HE3 LYS 14 2HE LYS 14 -9.678 2.977 -2.130 85 HZ1 LYS 14 3HZ LYS 14 -10.396 5.855 -2.062 86 HZ2 LYS 14 1HZ LYS 14 -9.280 5.142 -1.009 87 HZ3 LYS 14 2HZ LYS 14 -10.898 4.648 -0.989 88 H CYS 15 H CYS 15 -5.810 2.113 -3.997 89 HA CYS 15 HA CYS 15 -5.457 -0.094 -5.824 90 HB2 CYS 15 1HB CYS 15 -4.196 0.284 -3.618 91 HB3 CYS 15 2HB CYS 15 -5.655 -0.303 -2.826 92 H ASN 16 H ASN 16 -7.155 -1.063 -6.706 93 HA ASN 16 HA ASN 16 -9.752 -0.993 -5.445 94 HB2 ASN 16 1HB ASN 16 -10.613 -1.650 -7.479 95 HB3 ASN 16 2HB ASN 16 -9.113 -0.893 -8.008 96 HD21 ASN 16 1HD2 ASN 16 -7.206 -2.456 -8.046 97 HD22 ASN 16 2HD2 ASN 16 -7.515 -4.003 -8.751 98 H GLU 17 H GLU 17 -7.292 -2.648 -4.507 99 HA GLU 17 HA GLU 17 -8.590 -5.280 -4.410 100 HB2 GLU 17 1HB GLU 17 -5.770 -4.568 -3.593 101 HB3 GLU 17 2HB GLU 17 -6.441 -6.182 -3.781 102 HG2 GLU 17 1HG GLU 17 -6.833 -5.550 -6.219 103 HG3 GLU 17 2HG GLU 17 -5.767 -4.181 -5.907 104 H CYS 18 H CYS 18 -7.336 -2.683 -2.404 105 HA CYS 18 HA CYS 18 -8.679 -3.913 -0.091 106 HB2 CYS 18 1HB CYS 18 -6.891 -2.958 1.354 107 HB3 CYS 18 2HB CYS 18 -6.300 -4.193 0.247 108 H GLY 19 H GLY 19 -7.382 -0.890 -1.446 109 HA2 GLY 19 1HA GLY 19 -9.159 0.880 -1.671 110 HA3 GLY 19 2HA GLY 19 -9.501 0.555 0.022 111 H LYS 20 H LYS 20 -6.241 0.551 -1.209 112 HA LYS 20 HA LYS 20 -5.665 2.888 0.462 113 HB2 LYS 20 1HB LYS 20 -4.362 0.837 0.878 114 HB3 LYS 20 2HB LYS 20 -3.781 0.875 -0.781 115 HG2 LYS 20 1HG LYS 20 -2.031 1.775 0.457 116 HG3 LYS 20 2HG LYS 20 -2.852 3.188 -0.210 117 HD2 LYS 20 1HD LYS 20 -4.039 3.499 1.906 118 HD3 LYS 20 2HD LYS 20 -3.231 2.078 2.572 119 HE2 LYS 20 1HE LYS 20 -1.849 4.577 1.599 120 HE3 LYS 20 2HE LYS 20 -2.183 4.192 3.287 121 HZ1 LYS 20 3HZ LYS 20 -0.040 3.455 3.055 122 HZ2 LYS 20 1HZ LYS 20 -0.249 2.960 1.450 123 HZ3 LYS 20 2HZ LYS 20 -0.888 2.032 2.711 124 H ALA 21 H ALA 21 -5.347 4.805 -0.440 125 HA ALA 21 HA ALA 21 -4.692 4.918 -3.309 126 HB1 ALA 21 3HB ALA 21 -6.850 5.991 -2.166 127 HB2 ALA 21 1HB ALA 21 -5.723 7.327 -1.931 128 HB3 ALA 21 2HB ALA 21 -6.046 6.720 -3.556 129 H PHE 22 H PHE 22 -2.971 6.090 -4.019 130 HA PHE 22 HA PHE 22 -1.283 7.339 -1.951 131 HB2 PHE 22 1HB PHE 22 -0.276 6.107 -4.516 132 HB3 PHE 22 2HB PHE 22 0.670 6.617 -3.122 133 HD1 PHE 22 HD2 PHE 22 -2.134 4.293 -3.936 134 HD2 PHE 22 HD1 PHE 22 1.415 4.989 -1.692 135 HE1 PHE 22 HE2 PHE 22 -2.273 2.016 -3.015 136 HE2 PHE 22 HE1 PHE 22 1.282 2.713 -0.768 137 HZ PHE 22 HZ PHE 22 -0.565 1.223 -1.428 138 H ARG 23 H ARG 23 0.513 8.703 -3.327 139 HA ARG 23 HA ARG 23 -1.098 10.697 -4.747 140 HB2 ARG 23 1HB ARG 23 0.167 11.492 -2.808 141 HB3 ARG 23 2HB ARG 23 1.661 10.910 -3.530 142 HG2 ARG 23 1HG ARG 23 0.021 12.836 -5.083 143 HG3 ARG 23 2HG ARG 23 0.926 13.436 -3.691 144 HD2 ARG 23 1HD ARG 23 2.965 12.361 -4.659 145 HD3 ARG 23 2HD ARG 23 2.019 11.994 -6.101 146 HE ARG 23 HE ARG 23 2.051 14.779 -5.319 147 HH11 ARG 23 1HH1 ARG 23 3.510 12.276 -7.249 148 HH12 ARG 23 2HH1 ARG 23 4.222 13.380 -8.378 149 HH21 ARG 23 1HH2 ARG 23 2.983 16.243 -6.799 150 HH22 ARG 23 2HH2 ARG 23 3.922 15.637 -8.121 151 H ALA 24 H ALA 24 1.696 8.611 -5.103 152 HA ALA 24 HA ALA 24 1.804 9.347 -7.954 153 HB1 ALA 24 3HB ALA 24 4.271 8.362 -6.629 154 HB2 ALA 24 1HB ALA 24 4.078 9.488 -7.973 155 HB3 ALA 24 2HB ALA 24 3.773 10.026 -6.321 156 H ARG 25 H ARG 25 2.647 7.638 -9.364 157 HA ARG 25 HA ARG 25 1.334 5.196 -8.964 158 HB2 ARG 25 1HB ARG 25 1.952 6.109 -11.182 159 HB3 ARG 25 2HB ARG 25 3.642 5.775 -10.829 160 HG2 ARG 25 1HG ARG 25 2.980 3.354 -10.563 161 HG3 ARG 25 2HG ARG 25 1.414 3.804 -11.239 162 HD2 ARG 25 1HD ARG 25 4.021 4.390 -12.621 163 HD3 ARG 25 2HD ARG 25 3.123 2.893 -12.870 164 HE ARG 25 HE ARG 25 1.266 4.776 -13.365 165 HH11 ARG 25 1HH1 ARG 25 4.524 4.325 -14.508 166 HH12 ARG 25 2HH1 ARG 25 4.228 5.071 -16.043 167 HH21 ARG 25 1HH2 ARG 25 0.864 5.761 -15.383 168 HH22 ARG 25 2HH2 ARG 25 2.146 5.888 -16.540 169 H SER 26 H SER 26 4.856 5.780 -9.054 170 HA SER 26 HA SER 26 5.812 3.352 -8.336 171 HB2 SER 26 1HB SER 26 7.760 4.439 -7.447 172 HB3 SER 26 2HB SER 26 7.165 5.434 -8.776 173 HG SER 26 HG SER 26 6.736 6.988 -7.417 174 H SER 27 H SER 27 4.545 5.802 -6.108 175 HA SER 27 HA SER 27 5.083 4.523 -3.701 176 HB2 SER 27 1HB SER 27 2.898 6.418 -4.542 177 HB3 SER 27 2HB SER 27 2.983 5.790 -2.896 178 HG SER 27 HG SER 27 5.320 6.847 -3.978 179 H LEU 28 H LEU 28 2.169 4.299 -5.730 180 HA LEU 28 HA LEU 28 0.698 2.554 -4.151 181 HB2 LEU 28 1HB LEU 28 -0.354 3.597 -5.995 182 HB3 LEU 28 2HB LEU 28 0.817 2.929 -7.130 183 HG LEU 28 HG LEU 28 -0.160 0.641 -6.467 184 HD11 LEU 28 1HD1 LEU 28 -2.680 1.011 -5.929 185 HD12 LEU 28 2HD1 LEU 28 -2.116 2.535 -5.244 186 HD13 LEU 28 3HD1 LEU 28 -1.492 1.006 -4.625 187 HD21 LEU 28 3HD2 LEU 28 -0.501 2.056 -8.605 188 HD22 LEU 28 1HD2 LEU 28 -2.102 2.379 -7.938 189 HD23 LEU 28 2HD2 LEU 28 -1.606 0.721 -8.277 190 H ALA 29 H ALA 29 3.148 1.847 -6.605 191 HA ALA 29 HA ALA 29 2.893 -0.924 -6.695 192 HB1 ALA 29 3HB ALA 29 4.701 1.017 -7.684 193 HB2 ALA 29 1HB ALA 29 5.648 -0.260 -6.922 194 HB3 ALA 29 2HB ALA 29 4.499 -0.657 -8.200 195 H ILE 30 H ILE 30 5.024 1.050 -4.634 196 HA ILE 30 HA ILE 30 6.403 -0.842 -3.263 197 HB ILE 30 HB ILE 30 5.105 1.563 -1.977 198 HG12 ILE 30 1HG1 ILE 30 6.378 2.207 -3.957 199 HG13 ILE 30 2HG1 ILE 30 7.227 2.714 -2.501 200 HG21 ILE 30 1HG2 ILE 30 6.474 -0.479 -0.765 201 HG22 ILE 30 2HG2 ILE 30 7.738 0.717 -1.048 202 HG23 ILE 30 3HG2 ILE 30 6.298 1.156 -0.130 203 HD11 ILE 30 3HD1 ILE 30 9.031 1.659 -3.203 204 HD12 ILE 30 1HD1 ILE 30 8.153 0.130 -3.172 205 HD13 ILE 30 2HD1 ILE 30 8.166 1.110 -4.638 206 H HIS 31 H HIS 31 3.013 -0.034 -2.878 207 HA HIS 31 HA HIS 31 2.697 -1.738 -0.560 208 HB2 HIS 31 1HB HIS 31 1.231 0.046 -0.421 209 HB3 HIS 31 2HB HIS 31 0.905 0.049 -2.152 210 HD1 HIS 31 HD1 HIS 31 0.209 -2.251 0.805 211 HD2 HIS 31 HD2 HIS 31 -1.529 -0.956 -2.739 212 HE1 HIS 31 HE1 HIS 31 -2.066 -3.320 0.742 213 H GLN 32 H GLN 32 1.854 -1.801 -3.993 214 HA GLN 32 HA GLN 32 0.259 -4.027 -4.127 215 HB2 GLN 32 1HB GLN 32 2.423 -3.161 -6.049 216 HB3 GLN 32 2HB GLN 32 1.207 -4.378 -6.414 217 HG2 GLN 32 1HG GLN 32 0.469 -1.593 -5.586 218 HG3 GLN 32 2HG GLN 32 0.800 -2.020 -7.264 219 HE21 GLN 32 1HE2 GLN 32 -1.625 -1.022 -6.617 220 HE22 GLN 32 2HE2 GLN 32 -2.830 -2.255 -6.714 221 H ALA 33 H ALA 33 3.544 -3.871 -3.200 222 HA ALA 33 HA ALA 33 4.220 -6.588 -3.841 223 HB1 ALA 33 3HB ALA 33 5.635 -4.762 -1.909 224 HB2 ALA 33 1HB ALA 33 6.292 -6.171 -2.741 225 HB3 ALA 33 2HB ALA 33 5.878 -4.720 -3.655 226 H THR 34 H THR 34 1.982 -5.569 -1.831 227 HA THR 34 HA THR 34 2.686 -7.395 0.367 228 HB THR 34 HB THR 34 2.025 -4.921 0.795 229 HG1 THR 34 HG1 THR 34 1.963 -6.987 2.250 230 HG21 THR 34 3HG2 THR 34 -0.699 -6.164 0.395 231 HG22 THR 34 1HG2 THR 34 0.022 -4.907 -0.609 232 HG23 THR 34 2HG2 THR 34 -0.386 -4.566 1.072 233 H HIS 35 H HIS 35 0.293 -6.682 -2.088 234 HA HIS 35 HA HIS 35 -1.713 -8.465 -1.216 235 HB2 HIS 35 1HB HIS 35 -1.061 -7.154 -3.831 236 HB3 HIS 35 2HB HIS 35 -2.303 -8.401 -3.767 237 HD1 HIS 35 HD1 HIS 35 -4.367 -7.873 -2.137 238 HD2 HIS 35 HD2 HIS 35 -1.875 -4.671 -3.028 239 HE1 HIS 35 HE1 HIS 35 -5.670 -5.814 -1.515 240 H SER 36 H SER 36 -0.909 -10.463 -0.680 241 HA SER 36 HA SER 36 0.971 -12.017 -1.844 242 HB2 SER 36 1HB SER 36 -0.159 -13.959 -0.961 243 HB3 SER 36 2HB SER 36 -0.402 -12.624 0.164 244 HG SER 36 HG SER 36 -2.278 -14.048 -0.651 245 H GLY 37 H GLY 37 0.934 -13.778 -3.372 246 HA2 GLY 37 1HA GLY 37 -0.715 -14.827 -5.067 247 HA3 GLY 37 2HA GLY 37 -0.829 -13.173 -5.648 248 H GLU 38 H GLU 38 1.273 -12.142 -6.272 249 HA GLU 38 HA GLU 38 3.007 -14.146 -7.561 250 HB2 GLU 38 1HB GLU 38 1.586 -12.635 -9.043 251 HB3 GLU 38 2HB GLU 38 2.606 -11.310 -8.502 252 HG2 GLU 38 1HG GLU 38 4.569 -12.731 -9.317 253 HG3 GLU 38 2HG GLU 38 3.352 -13.690 -10.159 254 H LYS 39 H LYS 39 4.344 -14.225 -5.679 255 HA LYS 39 HA LYS 39 6.052 -11.844 -5.357 256 HB2 LYS 39 1HB LYS 39 4.790 -12.249 -3.326 257 HB3 LYS 39 2HB LYS 39 5.294 -13.934 -3.309 258 HG2 LYS 39 1HG LYS 39 6.758 -13.098 -1.794 259 HG3 LYS 39 2HG LYS 39 7.700 -12.836 -3.264 260 HD2 LYS 39 1HD LYS 39 7.872 -10.757 -2.337 261 HD3 LYS 39 2HD LYS 39 6.381 -10.536 -3.256 262 HE2 LYS 39 1HE LYS 39 6.609 -11.210 -0.324 263 HE3 LYS 39 2HE LYS 39 6.117 -9.662 -1.011 264 HZ1 LYS 39 3HZ LYS 39 4.651 -12.210 -1.428 265 HZ2 LYS 39 1HZ LYS 39 4.155 -10.663 -1.899 266 HZ3 LYS 39 2HZ LYS 39 4.243 -11.059 -0.257 267 HA PRO 40 HA PRO 40 8.665 -15.252 -7.080 268 HB2 PRO 40 1HB PRO 40 10.041 -13.640 -8.776 269 HB3 PRO 40 2HB PRO 40 8.491 -14.379 -9.198 270 HG2 PRO 40 1HG PRO 40 9.067 -11.601 -8.242 271 HG3 PRO 40 2HG PRO 40 7.975 -12.136 -9.532 272 HD2 PRO 40 1HD PRO 40 7.093 -11.467 -7.061 273 HD3 PRO 40 2HD PRO 40 6.305 -12.712 -8.052 274 H SER 41 H SER 41 9.027 -12.684 -5.053 275 HA SER 41 HA SER 41 11.938 -12.691 -4.985 276 HB2 SER 41 1HB SER 41 10.321 -10.645 -4.619 277 HB3 SER 41 2HB SER 41 10.256 -11.253 -2.965 278 HG SER 41 HG SER 41 11.946 -9.677 -3.409 279 H GLY 42 H GLY 42 9.422 -13.025 -2.471 280 HA2 GLY 42 1HA GLY 42 10.049 -15.513 -1.505 281 HA3 GLY 42 2HA GLY 42 11.205 -14.440 -0.728 282 HA PRO 43 HA PRO 43 6.716 -13.274 0.752 283 HB2 PRO 43 1HB PRO 43 4.915 -15.295 0.536 284 HB3 PRO 43 2HB PRO 43 5.147 -14.076 -0.723 285 HG2 PRO 43 1HG PRO 43 6.228 -16.863 -0.562 286 HG3 PRO 43 2HG PRO 43 5.535 -16.010 -1.954 287 HD2 PRO 43 1HD PRO 43 8.205 -16.286 -1.596 288 HD3 PRO 43 2HD PRO 43 7.489 -14.865 -2.385 289 H SER 44 H SER 44 6.185 -13.500 2.880 290 HA SER 44 HA SER 44 6.202 -15.932 4.311 291 HB2 SER 44 1HB SER 44 8.206 -15.545 5.716 292 HB3 SER 44 2HB SER 44 8.623 -15.819 4.025 293 HG SER 44 HG SER 44 9.780 -14.060 4.622 294 H SER 45 H SER 45 5.271 -15.699 6.298 295 HA SER 45 HA SER 45 3.938 -13.259 6.851 296 HB2 SER 45 1HB SER 45 4.300 -15.631 8.696 297 HB3 SER 45 2HB SER 45 3.057 -14.385 8.812 298 HG SER 45 HG SER 45 2.705 -16.582 7.646 299 H GLY 46 H GLY 46 4.746 -11.503 7.774 300 HA2 GLY 46 1HA GLY 46 5.870 -10.182 9.299 301 HA3 GLY 46 2HA GLY 46 6.341 -11.644 10.153 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -23.110 2.166 3.794 2 HA2 GLY 1 1HA GLY 1 -22.263 4.257 5.377 3 HA3 GLY 1 2HA GLY 1 -21.281 2.884 5.867 4 H SER 2 H SER 2 -20.024 5.048 4.851 5 HA SER 2 HA SER 2 -18.611 3.956 2.646 6 HB2 SER 2 1HB SER 2 -20.621 4.787 1.444 7 HB3 SER 2 2HB SER 2 -20.279 6.410 2.042 8 HG SER 2 HG SER 2 -19.060 4.970 0.029 9 H SER 3 H SER 3 -16.929 5.518 1.826 10 HA SER 3 HA SER 3 -16.341 7.828 3.420 11 HB2 SER 3 1HB SER 3 -15.624 5.645 4.732 12 HB3 SER 3 2HB SER 3 -14.237 5.715 3.645 13 HG SER 3 HG SER 3 -13.916 6.865 5.626 14 H GLY 4 H GLY 4 -13.956 8.545 2.900 15 HA2 GLY 4 1HA GLY 4 -12.380 7.887 0.864 16 HA3 GLY 4 2HA GLY 4 -13.773 8.508 -0.010 17 H SER 5 H SER 5 -12.516 10.187 -0.897 18 HA SER 5 HA SER 5 -12.081 12.408 0.973 19 HB2 SER 5 1HB SER 5 -10.004 13.013 -0.269 20 HB3 SER 5 2HB SER 5 -9.877 11.473 0.581 21 HG SER 5 HG SER 5 -10.123 11.971 -2.177 22 H SER 6 H SER 6 -13.326 14.037 0.364 23 HA SER 6 HA SER 6 -13.833 14.425 -2.514 24 HB2 SER 6 1HB SER 6 -15.864 13.786 -1.294 25 HB3 SER 6 2HB SER 6 -15.625 15.128 -0.175 26 HG SER 6 HG SER 6 -16.972 15.201 -2.384 27 H GLY 7 H GLY 7 -12.164 15.851 -2.921 28 HA2 GLY 7 1HA GLY 7 -12.313 18.432 -3.050 29 HA3 GLY 7 2HA GLY 7 -12.074 18.312 -1.313 30 H THR 8 H THR 8 -10.158 16.512 -0.955 31 HA THR 8 HA THR 8 -7.844 17.805 -2.172 32 HB THR 8 HB THR 8 -6.528 16.545 -0.479 33 HG1 THR 8 HG1 THR 8 -7.466 14.937 0.511 34 HG21 THR 8 3HG2 THR 8 -6.903 18.125 1.095 35 HG22 THR 8 1HG2 THR 8 -8.633 17.793 1.167 36 HG23 THR 8 2HG2 THR 8 -7.981 18.798 -0.128 37 H GLY 9 H GLY 9 -6.021 16.511 -2.928 38 HA2 GLY 9 1HA GLY 9 -5.078 14.838 -4.192 39 HA3 GLY 9 2HA GLY 9 -6.259 13.744 -3.488 40 H GLU 10 H GLU 10 -5.306 13.750 -6.201 41 HA GLU 10 HA GLU 10 -7.815 14.390 -7.608 42 HB2 GLU 10 1HB GLU 10 -5.024 14.341 -8.769 43 HB3 GLU 10 2HB GLU 10 -6.500 14.719 -9.645 44 HG2 GLU 10 1HG GLU 10 -5.777 16.332 -7.249 45 HG3 GLU 10 2HG GLU 10 -4.940 16.618 -8.774 46 H LYS 11 H LYS 11 -7.506 11.980 -6.271 47 HA LYS 11 HA LYS 11 -7.378 9.696 -6.524 48 HB2 LYS 11 1HB LYS 11 -8.914 10.619 -8.953 49 HB3 LYS 11 2HB LYS 11 -8.784 8.928 -8.486 50 HG2 LYS 11 1HG LYS 11 -9.801 9.514 -6.298 51 HG3 LYS 11 2HG LYS 11 -10.046 11.154 -6.901 52 HD2 LYS 11 1HD LYS 11 -12.088 10.189 -7.362 53 HD3 LYS 11 2HD LYS 11 -11.234 9.935 -8.885 54 HE2 LYS 11 1HE LYS 11 -10.871 7.672 -8.437 55 HE3 LYS 11 2HE LYS 11 -11.177 7.869 -6.712 56 HZ1 LYS 11 3HZ LYS 11 -13.222 7.163 -7.153 57 HZ2 LYS 11 1HZ LYS 11 -13.014 7.313 -8.826 58 HZ3 LYS 11 2HZ LYS 11 -13.503 8.649 -7.912 59 HA PRO 12 HA PRO 12 -3.914 9.976 -9.736 60 HB2 PRO 12 1HB PRO 12 -1.839 9.732 -8.003 61 HB3 PRO 12 2HB PRO 12 -2.524 11.294 -8.467 62 HG2 PRO 12 1HG PRO 12 -3.015 9.666 -6.003 63 HG3 PRO 12 2HG PRO 12 -2.764 11.415 -6.157 64 HD2 PRO 12 1HD PRO 12 -5.221 10.316 -5.866 65 HD3 PRO 12 2HD PRO 12 -4.943 11.797 -6.804 66 H TYR 13 H TYR 13 -3.819 8.088 -6.706 67 HA TYR 13 HA TYR 13 -3.849 5.619 -8.236 68 HB2 TYR 13 1HB TYR 13 -1.581 6.277 -6.346 69 HB3 TYR 13 2HB TYR 13 -1.844 4.720 -7.123 70 HD1 TYR 13 HD2 TYR 13 -1.442 4.444 -9.523 71 HD2 TYR 13 HD1 TYR 13 -0.676 8.148 -7.573 72 HE1 TYR 13 HE2 TYR 13 -0.111 5.180 -11.456 73 HE2 TYR 13 HE1 TYR 13 0.657 8.894 -9.501 74 HH TYR 13 HH TYR 13 1.127 6.795 -12.331 75 H LYS 14 H LYS 14 -4.500 3.817 -7.041 76 HA LYS 14 HA LYS 14 -4.853 3.894 -4.211 77 HB2 LYS 14 1HB LYS 14 -6.769 5.322 -5.360 78 HB3 LYS 14 2HB LYS 14 -7.470 3.733 -5.639 79 HG2 LYS 14 1HG LYS 14 -7.165 3.327 -3.151 80 HG3 LYS 14 2HG LYS 14 -6.844 5.057 -3.020 81 HD2 LYS 14 1HD LYS 14 -9.097 5.069 -2.655 82 HD3 LYS 14 2HD LYS 14 -9.093 5.204 -4.415 83 HE2 LYS 14 1HE LYS 14 -9.732 3.004 -4.715 84 HE3 LYS 14 2HE LYS 14 -9.124 2.504 -3.137 85 HZ1 LYS 14 3HZ LYS 14 -11.684 3.712 -3.845 86 HZ2 LYS 14 1HZ LYS 14 -11.008 4.168 -2.363 87 HZ3 LYS 14 2HZ LYS 14 -11.326 2.538 -2.681 88 H CYS 15 H CYS 15 -5.486 1.893 -3.351 89 HA CYS 15 HA CYS 15 -5.198 -0.325 -5.225 90 HB2 CYS 15 1HB CYS 15 -3.813 -0.221 -3.148 91 HB3 CYS 15 2HB CYS 15 -5.289 -0.392 -2.203 92 H ASN 16 H ASN 16 -7.018 -1.039 -6.121 93 HA ASN 16 HA ASN 16 -9.563 -0.786 -4.783 94 HB2 ASN 16 1HB ASN 16 -10.545 -1.344 -6.819 95 HB3 ASN 16 2HB ASN 16 -9.053 -0.559 -7.329 96 HD21 ASN 16 1HD2 ASN 16 -7.170 -2.105 -7.589 97 HD22 ASN 16 2HD2 ASN 16 -7.511 -3.597 -8.390 98 H GLU 17 H GLU 17 -7.788 -2.416 -3.354 99 HA GLU 17 HA GLU 17 -9.190 -4.996 -3.524 100 HB2 GLU 17 1HB GLU 17 -6.249 -4.639 -2.923 101 HB3 GLU 17 2HB GLU 17 -7.122 -6.164 -2.934 102 HG2 GLU 17 1HG GLU 17 -7.071 -4.453 -5.379 103 HG3 GLU 17 2HG GLU 17 -5.694 -5.480 -4.981 104 H CYS 18 H CYS 18 -7.341 -2.746 -1.520 105 HA CYS 18 HA CYS 18 -8.746 -3.817 0.840 106 HB2 CYS 18 1HB CYS 18 -6.798 -3.133 2.189 107 HB3 CYS 18 2HB CYS 18 -6.364 -4.325 0.968 108 H GLY 19 H GLY 19 -7.296 -0.921 -0.616 109 HA2 GLY 19 1HA GLY 19 -8.875 1.023 -0.683 110 HA3 GLY 19 2HA GLY 19 -9.142 0.702 1.025 111 H LYS 20 H LYS 20 -6.104 0.711 -0.803 112 HA LYS 20 HA LYS 20 -5.076 2.707 1.088 113 HB2 LYS 20 1HB LYS 20 -3.849 0.483 -0.460 114 HB3 LYS 20 2HB LYS 20 -2.855 1.904 -0.164 115 HG2 LYS 20 1HG LYS 20 -4.298 0.504 2.060 116 HG3 LYS 20 2HG LYS 20 -2.709 -0.024 1.499 117 HD2 LYS 20 1HD LYS 20 -1.851 2.262 1.923 118 HD3 LYS 20 2HD LYS 20 -3.428 2.699 2.585 119 HE2 LYS 20 1HE LYS 20 -1.943 2.161 4.398 120 HE3 LYS 20 2HE LYS 20 -3.166 0.898 4.268 121 HZ1 LYS 20 3HZ LYS 20 -0.398 0.730 3.203 122 HZ2 LYS 20 1HZ LYS 20 -1.572 -0.485 3.103 123 HZ3 LYS 20 2HZ LYS 20 -0.958 -0.025 4.610 124 H ALA 21 H ALA 21 -5.034 4.735 0.401 125 HA ALA 21 HA ALA 21 -4.933 5.280 -2.475 126 HB1 ALA 21 3HB ALA 21 -6.587 6.651 -1.839 127 HB2 ALA 21 1HB ALA 21 -6.086 6.632 -0.148 128 HB3 ALA 21 2HB ALA 21 -5.287 7.710 -1.294 129 H PHE 22 H PHE 22 -3.202 6.143 -3.441 130 HA PHE 22 HA PHE 22 -1.032 7.169 -1.731 131 HB2 PHE 22 1HB PHE 22 -0.576 5.827 -4.389 132 HB3 PHE 22 2HB PHE 22 0.595 6.156 -3.117 133 HD1 PHE 22 HD2 PHE 22 -2.421 4.138 -3.892 134 HD2 PHE 22 HD1 PHE 22 1.092 4.539 -1.523 135 HE1 PHE 22 HE2 PHE 22 -2.777 1.878 -2.988 136 HE2 PHE 22 HE1 PHE 22 0.743 2.279 -0.616 137 HZ PHE 22 HZ PHE 22 -1.195 0.946 -1.347 138 H ARG 23 H ARG 23 0.042 8.999 -2.396 139 HA ARG 23 HA ARG 23 -1.360 10.626 -4.347 140 HB2 ARG 23 1HB ARG 23 0.899 11.224 -2.434 141 HB3 ARG 23 2HB ARG 23 0.245 12.405 -3.561 142 HG2 ARG 23 1HG ARG 23 -1.496 10.987 -1.574 143 HG3 ARG 23 2HG ARG 23 -0.609 12.457 -1.164 144 HD2 ARG 23 1HD ARG 23 -1.725 13.644 -2.981 145 HD3 ARG 23 2HD ARG 23 -2.590 12.173 -3.422 146 HE ARG 23 HE ARG 23 -3.179 13.948 -1.227 147 HH11 ARG 23 1HH1 ARG 23 -3.586 10.754 -2.551 148 HH12 ARG 23 2HH1 ARG 23 -5.028 10.422 -1.650 149 HH21 ARG 23 1HH2 ARG 23 -5.076 13.523 -0.034 150 HH22 ARG 23 2HH2 ARG 23 -5.875 11.998 -0.219 151 H ALA 24 H ALA 24 1.516 8.745 -4.132 152 HA ALA 24 HA ALA 24 2.443 9.852 -6.703 153 HB1 ALA 24 3HB ALA 24 4.331 8.278 -5.063 154 HB2 ALA 24 1HB ALA 24 4.604 9.715 -6.049 155 HB3 ALA 24 2HB ALA 24 3.883 9.869 -4.447 156 H ARG 25 H ARG 25 3.426 8.327 -8.192 157 HA ARG 25 HA ARG 25 1.847 6.025 -8.577 158 HB2 ARG 25 1HB ARG 25 2.947 7.258 -10.412 159 HB3 ARG 25 2HB ARG 25 4.513 6.714 -9.826 160 HG2 ARG 25 1HG ARG 25 3.486 4.337 -10.124 161 HG3 ARG 25 2HG ARG 25 2.365 5.173 -11.201 162 HD2 ARG 25 1HD ARG 25 4.131 4.403 -12.567 163 HD3 ARG 25 2HD ARG 25 4.395 6.134 -12.359 164 HE ARG 25 HE ARG 25 6.309 5.679 -11.156 165 HH11 ARG 25 1HH1 ARG 25 4.516 2.746 -11.705 166 HH12 ARG 25 2HH1 ARG 25 5.797 1.709 -11.172 167 HH21 ARG 25 1HH2 ARG 25 8.004 4.324 -10.453 168 HH22 ARG 25 2HH2 ARG 25 7.780 2.608 -10.460 169 H SER 26 H SER 26 5.303 6.309 -7.737 170 HA SER 26 HA SER 26 5.831 3.611 -7.373 171 HB2 SER 26 1HB SER 26 7.444 5.637 -7.348 172 HB3 SER 26 2HB SER 26 7.088 5.712 -5.623 173 HG SER 26 HG SER 26 8.717 4.024 -6.960 174 H SER 27 H SER 27 4.567 5.981 -5.072 175 HA SER 27 HA SER 27 4.640 4.491 -2.744 176 HB2 SER 27 1HB SER 27 2.613 6.525 -3.690 177 HB3 SER 27 2HB SER 27 2.624 5.859 -2.057 178 HG SER 27 HG SER 27 4.676 7.358 -3.318 179 H LEU 28 H LEU 28 2.356 4.347 -5.409 180 HA LEU 28 HA LEU 28 0.545 2.571 -4.067 181 HB2 LEU 28 1HB LEU 28 -0.409 3.942 -5.723 182 HB3 LEU 28 2HB LEU 28 0.831 3.519 -6.901 183 HG LEU 28 HG LEU 28 -0.251 1.107 -6.588 184 HD11 LEU 28 1HD1 LEU 28 -1.960 1.367 -5.102 185 HD12 LEU 28 2HD1 LEU 28 -2.822 1.705 -6.602 186 HD13 LEU 28 3HD1 LEU 28 -2.275 3.035 -5.582 187 HD21 LEU 28 3HD2 LEU 28 -0.277 3.104 -8.515 188 HD22 LEU 28 1HD2 LEU 28 -1.972 2.652 -8.326 189 HD23 LEU 28 2HD2 LEU 28 -0.771 1.423 -8.728 190 H ALA 29 H ALA 29 3.049 2.223 -6.554 191 HA ALA 29 HA ALA 29 2.731 -0.475 -7.129 192 HB1 ALA 29 3HB ALA 29 4.430 -0.049 -8.490 193 HB2 ALA 29 1HB ALA 29 4.591 1.542 -7.745 194 HB3 ALA 29 2HB ALA 29 5.518 0.177 -7.121 195 H ILE 30 H ILE 30 5.132 0.918 -4.881 196 HA ILE 30 HA ILE 30 6.258 -1.249 -3.786 197 HB ILE 30 HB ILE 30 5.196 1.089 -2.195 198 HG12 ILE 30 1HG1 ILE 30 8.027 0.701 -3.128 199 HG13 ILE 30 2HG1 ILE 30 6.826 1.431 -4.188 200 HG21 ILE 30 1HG2 ILE 30 6.368 -1.308 -1.293 201 HG22 ILE 30 2HG2 ILE 30 7.593 -0.050 -1.136 202 HG23 ILE 30 3HG2 ILE 30 6.021 0.149 -0.362 203 HD11 ILE 30 3HD1 ILE 30 7.693 2.445 -1.492 204 HD12 ILE 30 1HD1 ILE 30 8.085 3.143 -3.063 205 HD13 ILE 30 2HD1 ILE 30 6.420 3.157 -2.483 206 H HIS 31 H HIS 31 3.016 -0.075 -2.987 207 HA HIS 31 HA HIS 31 2.524 -2.101 -1.029 208 HB2 HIS 31 1HB HIS 31 1.303 -0.065 -0.803 209 HB3 HIS 31 2HB HIS 31 0.725 -0.149 -2.465 210 HD1 HIS 31 HD1 HIS 31 0.278 -1.910 0.857 211 HD2 HIS 31 HD2 HIS 31 -1.668 -1.429 -2.782 212 HE1 HIS 31 HE1 HIS 31 -1.979 -2.979 1.154 213 H GLN 32 H GLN 32 1.401 -1.579 -4.366 214 HA GLN 32 HA GLN 32 -0.229 -3.750 -4.702 215 HB2 GLN 32 1HB GLN 32 1.733 -2.556 -6.664 216 HB3 GLN 32 2HB GLN 32 0.495 -3.723 -7.107 217 HG2 GLN 32 1HG GLN 32 -0.114 -1.084 -5.806 218 HG3 GLN 32 2HG GLN 32 -0.064 -1.323 -7.552 219 HE21 GLN 32 1HE2 GLN 32 -2.310 -0.550 -7.321 220 HE22 GLN 32 2HE2 GLN 32 -3.543 -1.717 -7.004 221 H ALA 33 H ALA 33 3.151 -3.757 -4.150 222 HA ALA 33 HA ALA 33 3.644 -6.368 -5.265 223 HB1 ALA 33 3HB ALA 33 5.315 -4.564 -3.526 224 HB2 ALA 33 1HB ALA 33 5.861 -6.125 -4.140 225 HB3 ALA 33 2HB ALA 33 5.465 -4.824 -5.263 226 H THR 34 H THR 34 1.691 -5.710 -2.922 227 HA THR 34 HA THR 34 2.690 -7.779 -1.076 228 HB THR 34 HB THR 34 2.175 -5.373 -0.232 229 HG1 THR 34 HG1 THR 34 0.905 -7.505 1.152 230 HG21 THR 34 3HG2 THR 34 -0.015 -5.137 -1.268 231 HG22 THR 34 1HG2 THR 34 -0.164 -5.077 0.488 232 HG23 THR 34 2HG2 THR 34 -0.605 -6.544 -0.385 233 H HIS 35 H HIS 35 0.032 -6.749 -3.087 234 HA HIS 35 HA HIS 35 -1.750 -8.824 -2.155 235 HB2 HIS 35 1HB HIS 35 -1.920 -6.780 -4.366 236 HB3 HIS 35 2HB HIS 35 -3.152 -8.017 -4.133 237 HD1 HIS 35 HD1 HIS 35 -4.692 -7.783 -2.071 238 HD2 HIS 35 HD2 HIS 35 -1.918 -4.717 -2.476 239 HE1 HIS 35 HE1 HIS 35 -5.440 -5.986 -0.479 240 H SER 36 H SER 36 0.641 -9.934 -2.978 241 HA SER 36 HA SER 36 0.930 -10.755 -5.582 242 HB2 SER 36 1HB SER 36 2.383 -11.281 -3.506 243 HB3 SER 36 2HB SER 36 1.340 -12.690 -3.311 244 HG SER 36 HG SER 36 2.453 -13.616 -4.817 245 H GLY 37 H GLY 37 0.442 -12.857 -6.590 246 HA2 GLY 37 1HA GLY 37 -2.326 -13.350 -6.659 247 HA3 GLY 37 2HA GLY 37 -1.092 -14.363 -7.392 248 H GLU 38 H GLU 38 -3.402 -14.108 -4.936 249 HA GLU 38 HA GLU 38 -2.767 -16.777 -4.007 250 HB2 GLU 38 1HB GLU 38 -1.527 -14.992 -2.570 251 HB3 GLU 38 2HB GLU 38 -3.118 -14.679 -1.892 252 HG2 GLU 38 1HG GLU 38 -1.660 -17.312 -1.871 253 HG3 GLU 38 2HG GLU 38 -1.880 -16.224 -0.502 254 H LYS 39 H LYS 39 -4.643 -17.789 -4.205 255 HA LYS 39 HA LYS 39 -6.923 -18.057 -4.468 256 HB2 LYS 39 1HB LYS 39 -6.318 -17.296 -1.655 257 HB3 LYS 39 2HB LYS 39 -8.011 -17.401 -2.120 258 HG2 LYS 39 1HG LYS 39 -6.067 -19.631 -2.629 259 HG3 LYS 39 2HG LYS 39 -6.963 -19.477 -1.116 260 HD2 LYS 39 1HD LYS 39 -9.019 -19.261 -2.754 261 HD3 LYS 39 2HD LYS 39 -7.943 -20.124 -3.855 262 HE2 LYS 39 1HE LYS 39 -7.603 -21.794 -1.972 263 HE3 LYS 39 2HE LYS 39 -8.960 -21.009 -1.166 264 HZ1 LYS 39 3HZ LYS 39 -9.623 -21.608 -3.851 265 HZ2 LYS 39 1HZ LYS 39 -10.372 -22.131 -2.426 266 HZ3 LYS 39 2HZ LYS 39 -9.075 -23.006 -3.070 267 HA PRO 40 HA PRO 40 -7.726 -13.435 -5.056 268 HB2 PRO 40 1HB PRO 40 -7.681 -13.442 -7.770 269 HB3 PRO 40 2HB PRO 40 -6.239 -13.165 -6.786 270 HG2 PRO 40 1HG PRO 40 -7.155 -15.673 -8.139 271 HG3 PRO 40 2HG PRO 40 -5.525 -14.982 -8.049 272 HD2 PRO 40 1HD PRO 40 -6.332 -17.023 -6.463 273 HD3 PRO 40 2HD PRO 40 -5.158 -15.804 -5.927 274 H SER 41 H SER 41 -9.807 -12.870 -5.037 275 HA SER 41 HA SER 41 -11.707 -14.119 -6.839 276 HB2 SER 41 1HB SER 41 -13.177 -14.978 -5.199 277 HB3 SER 41 2HB SER 41 -11.577 -15.515 -4.686 278 HG SER 41 HG SER 41 -13.176 -14.369 -3.146 279 H GLY 42 H GLY 42 -13.085 -12.637 -7.577 280 HA2 GLY 42 1HA GLY 42 -14.710 -10.876 -6.593 281 HA3 GLY 42 2HA GLY 42 -13.213 -10.062 -6.163 282 HA PRO 43 HA PRO 43 -13.531 -10.079 -11.008 283 HB2 PRO 43 1HB PRO 43 -15.989 -10.640 -12.014 284 HB3 PRO 43 2HB PRO 43 -14.757 -11.878 -11.741 285 HG2 PRO 43 1HG PRO 43 -17.106 -11.137 -10.040 286 HG3 PRO 43 2HG PRO 43 -16.494 -12.747 -10.462 287 HD2 PRO 43 1HD PRO 43 -15.977 -11.571 -8.078 288 HD3 PRO 43 2HD PRO 43 -14.829 -12.670 -8.870 289 H SER 44 H SER 44 -13.547 -8.011 -11.600 290 HA SER 44 HA SER 44 -15.890 -6.459 -11.847 291 HB2 SER 44 1HB SER 44 -15.580 -4.819 -10.103 292 HB3 SER 44 2HB SER 44 -15.638 -6.414 -9.352 293 HG SER 44 HG SER 44 -13.712 -6.066 -8.615 294 H SER 45 H SER 45 -15.544 -4.664 -13.091 295 HA SER 45 HA SER 45 -14.447 -3.502 -14.734 296 HB2 SER 45 1HB SER 45 -12.582 -3.062 -12.389 297 HB3 SER 45 2HB SER 45 -12.598 -2.092 -13.862 298 HG SER 45 HG SER 45 -15.017 -2.410 -12.520 299 H GLY 46 H GLY 46 -13.894 -6.220 -14.928 300 HA2 GLY 46 1HA GLY 46 -11.007 -6.343 -15.482 301 HA3 GLY 46 2HA GLY 46 -12.069 -7.731 -15.299 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -19.041 15.447 13.278 2 HA2 GLY 1 1HA GLY 1 -19.678 13.033 11.701 3 HA3 GLY 1 2HA GLY 1 -18.533 14.228 11.109 4 H SER 2 H SER 2 -18.437 11.285 12.055 5 HA SER 2 HA SER 2 -16.461 11.463 14.182 6 HB2 SER 2 1HB SER 2 -17.745 9.121 12.769 7 HB3 SER 2 2HB SER 2 -16.479 8.938 13.983 8 HG SER 2 HG SER 2 -17.823 9.699 15.521 9 H SER 3 H SER 3 -16.627 10.072 10.903 10 HA SER 3 HA SER 3 -14.157 9.167 10.451 11 HB2 SER 3 1HB SER 3 -15.880 10.877 8.669 12 HB3 SER 3 2HB SER 3 -14.335 10.238 8.108 13 HG SER 3 HG SER 3 -15.280 8.138 8.926 14 H GLY 4 H GLY 4 -14.997 12.624 10.233 15 HA2 GLY 4 1HA GLY 4 -13.698 14.468 10.753 16 HA3 GLY 4 2HA GLY 4 -12.413 13.378 11.251 17 H SER 5 H SER 5 -14.024 14.685 8.372 18 HA SER 5 HA SER 5 -11.438 14.501 6.968 19 HB2 SER 5 1HB SER 5 -14.213 14.329 5.767 20 HB3 SER 5 2HB SER 5 -12.698 14.269 4.866 21 HG SER 5 HG SER 5 -13.795 12.200 5.515 22 H SER 6 H SER 6 -10.618 16.506 7.147 23 HA SER 6 HA SER 6 -12.326 18.838 6.875 24 HB2 SER 6 1HB SER 6 -10.425 18.661 8.553 25 HB3 SER 6 2HB SER 6 -9.320 18.807 7.186 26 HG SER 6 HG SER 6 -9.745 20.835 8.138 27 H GLY 7 H GLY 7 -12.975 18.681 4.701 28 HA2 GLY 7 1HA GLY 7 -12.815 19.439 2.522 29 HA3 GLY 7 2HA GLY 7 -11.158 19.921 2.854 30 H THR 8 H THR 8 -13.050 16.912 2.557 31 HA THR 8 HA THR 8 -11.150 15.082 2.026 32 HB THR 8 HB THR 8 -12.731 13.961 0.453 33 HG1 THR 8 HG1 THR 8 -14.623 15.970 0.971 34 HG21 THR 8 3HG2 THR 8 -13.025 13.490 2.764 35 HG22 THR 8 1HG2 THR 8 -14.632 13.813 2.114 36 HG23 THR 8 2HG2 THR 8 -13.795 15.049 3.054 37 H GLY 9 H GLY 9 -9.498 14.901 0.666 38 HA2 GLY 9 1HA GLY 9 -9.512 16.553 -1.772 39 HA3 GLY 9 2HA GLY 9 -8.074 15.954 -0.959 40 H GLU 10 H GLU 10 -9.038 15.716 -3.778 41 HA GLU 10 HA GLU 10 -9.679 12.940 -4.150 42 HB2 GLU 10 1HB GLU 10 -9.059 15.229 -5.989 43 HB3 GLU 10 2HB GLU 10 -9.120 13.585 -6.608 44 HG2 GLU 10 1HG GLU 10 -11.433 13.468 -5.510 45 HG3 GLU 10 2HG GLU 10 -11.324 15.225 -5.421 46 H LYS 11 H LYS 11 -8.361 11.295 -4.825 47 HA LYS 11 HA LYS 11 -5.479 11.799 -4.577 48 HB2 LYS 11 1HB LYS 11 -5.496 9.183 -4.478 49 HB3 LYS 11 2HB LYS 11 -5.962 10.121 -3.065 50 HG2 LYS 11 1HG LYS 11 -8.081 9.290 -4.977 51 HG3 LYS 11 2HG LYS 11 -7.396 8.082 -3.887 52 HD2 LYS 11 1HD LYS 11 -8.000 9.400 -1.965 53 HD3 LYS 11 2HD LYS 11 -8.534 10.730 -2.996 54 HE2 LYS 11 1HE LYS 11 -9.754 7.974 -3.016 55 HE3 LYS 11 2HE LYS 11 -10.382 9.325 -2.074 56 HZ1 LYS 11 3HZ LYS 11 -10.165 10.377 -4.550 57 HZ2 LYS 11 1HZ LYS 11 -11.588 9.744 -3.888 58 HZ3 LYS 11 2HZ LYS 11 -10.621 8.784 -4.891 59 HA PRO 12 HA PRO 12 -4.845 11.130 -8.881 60 HB2 PRO 12 1HB PRO 12 -2.245 10.350 -8.820 61 HB3 PRO 12 2HB PRO 12 -2.753 12.023 -8.559 62 HG2 PRO 12 1HG PRO 12 -2.024 9.929 -6.548 63 HG3 PRO 12 2HG PRO 12 -1.576 11.644 -6.589 64 HD2 PRO 12 1HD PRO 12 -3.562 10.694 -5.012 65 HD3 PRO 12 2HD PRO 12 -3.600 12.323 -5.719 66 H TYR 13 H TYR 13 -3.844 8.601 -6.615 67 HA TYR 13 HA TYR 13 -4.717 6.596 -8.576 68 HB2 TYR 13 1HB TYR 13 -2.083 6.765 -7.170 69 HB3 TYR 13 2HB TYR 13 -2.769 5.178 -7.502 70 HD1 TYR 13 HD1 TYR 13 -2.088 8.406 -9.263 71 HD2 TYR 13 HD2 TYR 13 -2.217 4.160 -9.498 72 HE1 TYR 13 HE1 TYR 13 -1.204 8.512 -11.556 73 HE2 TYR 13 HE2 TYR 13 -1.333 4.254 -11.791 74 HH TYR 13 HH TYR 13 0.210 6.675 -13.070 75 H LYS 14 H LYS 14 -5.187 4.480 -7.587 76 HA LYS 14 HA LYS 14 -5.569 4.368 -4.732 77 HB2 LYS 14 1HB LYS 14 -7.555 5.596 -5.248 78 HB3 LYS 14 2HB LYS 14 -7.920 4.551 -6.615 79 HG2 LYS 14 1HG LYS 14 -9.377 3.709 -5.088 80 HG3 LYS 14 2HG LYS 14 -7.973 2.697 -4.738 81 HD2 LYS 14 1HD LYS 14 -8.645 3.398 -2.628 82 HD3 LYS 14 2HD LYS 14 -7.364 4.544 -3.031 83 HE2 LYS 14 1HE LYS 14 -9.093 5.871 -2.176 84 HE3 LYS 14 2HE LYS 14 -9.231 6.042 -3.926 85 HZ1 LYS 14 3HZ LYS 14 -10.776 3.892 -2.727 86 HZ2 LYS 14 1HZ LYS 14 -11.193 4.967 -3.966 87 HZ3 LYS 14 2HZ LYS 14 -11.284 5.462 -2.351 88 H CYS 15 H CYS 15 -5.717 2.295 -3.982 89 HA CYS 15 HA CYS 15 -5.052 0.201 -5.825 90 HB2 CYS 15 1HB CYS 15 -4.191 0.441 -3.440 91 HB3 CYS 15 2HB CYS 15 -5.769 -0.134 -2.913 92 H ASN 16 H ASN 16 -6.248 -1.638 -6.330 93 HA ASN 16 HA ASN 16 -9.148 -1.303 -6.036 94 HB2 ASN 16 1HB ASN 16 -9.260 -2.986 -7.905 95 HB3 ASN 16 2HB ASN 16 -8.477 -1.467 -8.331 96 HD21 ASN 16 1HD2 ASN 16 -8.294 -4.630 -8.822 97 HD22 ASN 16 2HD2 ASN 16 -6.591 -4.829 -9.034 98 H GLU 17 H GLU 17 -6.748 -2.837 -4.477 99 HA GLU 17 HA GLU 17 -8.182 -5.355 -4.072 100 HB2 GLU 17 1HB GLU 17 -5.423 -4.414 -3.313 101 HB3 GLU 17 2HB GLU 17 -6.114 -5.896 -2.667 102 HG2 GLU 17 1HG GLU 17 -5.821 -5.343 -5.606 103 HG3 GLU 17 2HG GLU 17 -4.612 -6.188 -4.641 104 H CYS 18 H CYS 18 -6.818 -2.674 -2.174 105 HA CYS 18 HA CYS 18 -8.677 -3.386 -0.000 106 HB2 CYS 18 1HB CYS 18 -7.059 -2.219 1.514 107 HB3 CYS 18 2HB CYS 18 -6.413 -3.673 0.760 108 H GLY 19 H GLY 19 -7.026 -0.645 -1.563 109 HA2 GLY 19 1HA GLY 19 -8.613 1.130 -2.350 110 HA3 GLY 19 2HA GLY 19 -9.301 1.052 -0.735 111 H LYS 20 H LYS 20 -5.876 0.744 -1.131 112 HA LYS 20 HA LYS 20 -5.393 3.019 0.525 113 HB2 LYS 20 1HB LYS 20 -3.696 0.994 -0.870 114 HB3 LYS 20 2HB LYS 20 -2.938 2.473 -0.293 115 HG2 LYS 20 1HG LYS 20 -4.655 0.911 1.572 116 HG3 LYS 20 2HG LYS 20 -3.028 0.333 1.206 117 HD2 LYS 20 1HD LYS 20 -3.546 3.165 2.064 118 HD3 LYS 20 2HD LYS 20 -3.318 1.866 3.237 119 HE2 LYS 20 1HE LYS 20 -1.355 2.495 1.041 120 HE3 LYS 20 2HE LYS 20 -1.251 3.176 2.663 121 HZ1 LYS 20 3HZ LYS 20 0.027 1.003 2.040 122 HZ2 LYS 20 1HZ LYS 20 -1.458 0.266 2.376 123 HZ3 LYS 20 2HZ LYS 20 -0.678 1.177 3.568 124 H ALA 21 H ALA 21 -5.175 5.070 -0.062 125 HA ALA 21 HA ALA 21 -5.003 5.729 -2.897 126 HB1 ALA 21 3HB ALA 21 -6.141 7.593 -2.405 127 HB2 ALA 21 1HB ALA 21 -6.466 6.808 -0.859 128 HB3 ALA 21 2HB ALA 21 -5.132 7.953 -1.004 129 H PHE 22 H PHE 22 -3.098 6.088 -3.808 130 HA PHE 22 HA PHE 22 -0.880 7.034 -2.122 131 HB2 PHE 22 1HB PHE 22 -0.720 5.634 -4.798 132 HB3 PHE 22 2HB PHE 22 0.630 6.036 -3.742 133 HD1 PHE 22 HD2 PHE 22 -2.276 3.842 -4.204 134 HD2 PHE 22 HD1 PHE 22 1.154 4.699 -1.833 135 HE1 PHE 22 HE2 PHE 22 -2.500 1.657 -3.095 136 HE2 PHE 22 HE1 PHE 22 0.935 2.515 -0.722 137 HZ PHE 22 HZ PHE 22 -0.894 0.991 -1.351 138 H ARG 23 H ARG 23 0.769 8.371 -3.335 139 HA ARG 23 HA ARG 23 -0.584 10.222 -5.186 140 HB2 ARG 23 1HB ARG 23 1.308 10.852 -2.919 141 HB3 ARG 23 2HB ARG 23 0.882 12.011 -4.171 142 HG2 ARG 23 1HG ARG 23 -1.561 11.471 -3.467 143 HG3 ARG 23 2HG ARG 23 -0.804 10.880 -1.987 144 HD2 ARG 23 1HD ARG 23 -0.170 13.595 -3.094 145 HD3 ARG 23 2HD ARG 23 -1.580 13.330 -2.068 146 HE ARG 23 HE ARG 23 0.523 12.235 -0.693 147 HH11 ARG 23 1HH1 ARG 23 -0.243 15.369 -1.999 148 HH12 ARG 23 2HH1 ARG 23 0.655 16.235 -0.797 149 HH21 ARG 23 1HH2 ARG 23 1.708 13.363 0.897 150 HH22 ARG 23 2HH2 ARG 23 1.765 15.092 0.850 151 H ALA 24 H ALA 24 1.095 7.912 -5.787 152 HA ALA 24 HA ALA 24 2.763 9.092 -7.748 153 HB1 ALA 24 3HB ALA 24 4.584 9.477 -6.518 154 HB2 ALA 24 1HB ALA 24 3.968 8.539 -5.158 155 HB3 ALA 24 2HB ALA 24 4.793 7.726 -6.488 156 H ARG 25 H ARG 25 2.998 7.688 -9.378 157 HA ARG 25 HA ARG 25 1.712 5.312 -9.598 158 HB2 ARG 25 1HB ARG 25 4.164 6.377 -10.947 159 HB3 ARG 25 2HB ARG 25 3.630 4.738 -11.296 160 HG2 ARG 25 1HG ARG 25 1.667 5.450 -12.294 161 HG3 ARG 25 2HG ARG 25 1.711 7.020 -11.490 162 HD2 ARG 25 1HD ARG 25 2.273 7.402 -13.762 163 HD3 ARG 25 2HD ARG 25 3.770 7.533 -12.840 164 HE ARG 25 HE ARG 25 3.329 4.903 -13.885 165 HH11 ARG 25 1HH1 ARG 25 4.532 8.085 -14.626 166 HH12 ARG 25 2HH1 ARG 25 5.594 7.534 -15.879 167 HH21 ARG 25 1HH2 ARG 25 4.723 4.165 -15.533 168 HH22 ARG 25 2HH2 ARG 25 5.701 5.304 -16.395 169 H SER 26 H SER 26 5.031 5.775 -8.449 170 HA SER 26 HA SER 26 5.571 3.002 -8.108 171 HB2 SER 26 1HB SER 26 6.925 5.368 -6.790 172 HB3 SER 26 2HB SER 26 7.572 3.733 -6.917 173 HG SER 26 HG SER 26 7.818 5.706 -8.650 174 H SER 27 H SER 27 4.345 5.549 -6.012 175 HA SER 27 HA SER 27 4.535 4.312 -3.542 176 HB2 SER 27 1HB SER 27 2.422 6.183 -4.623 177 HB3 SER 27 2HB SER 27 2.512 5.698 -2.930 178 HG SER 27 HG SER 27 3.605 7.665 -3.296 179 H LEU 28 H LEU 28 2.192 3.832 -6.111 180 HA LEU 28 HA LEU 28 0.429 2.199 -4.559 181 HB2 LEU 28 1HB LEU 28 -0.491 3.346 -6.421 182 HB3 LEU 28 2HB LEU 28 0.726 2.687 -7.511 183 HG LEU 28 HG LEU 28 -0.318 0.412 -7.059 184 HD11 LEU 28 1HD1 LEU 28 -1.731 1.804 -5.146 185 HD12 LEU 28 2HD1 LEU 28 -2.103 0.189 -5.747 186 HD13 LEU 28 3HD1 LEU 28 -2.899 1.596 -6.451 187 HD21 LEU 28 3HD2 LEU 28 -2.037 2.478 -8.427 188 HD22 LEU 28 1HD2 LEU 28 -2.030 0.740 -8.728 189 HD23 LEU 28 2HD2 LEU 28 -0.616 1.712 -9.139 190 H ALA 29 H ALA 29 2.972 1.561 -6.945 191 HA ALA 29 HA ALA 29 2.693 -1.215 -7.094 192 HB1 ALA 29 3HB ALA 29 5.262 0.342 -7.340 193 HB2 ALA 29 1HB ALA 29 4.917 -1.253 -8.010 194 HB3 ALA 29 2HB ALA 29 4.068 0.165 -8.625 195 H ILE 30 H ILE 30 5.113 0.601 -5.195 196 HA ILE 30 HA ILE 30 6.338 -1.341 -3.803 197 HB ILE 30 HB ILE 30 5.300 1.215 -2.574 198 HG12 ILE 30 1HG1 ILE 30 8.112 0.834 -3.501 199 HG13 ILE 30 2HG1 ILE 30 6.871 1.135 -4.713 200 HG21 ILE 30 1HG2 ILE 30 6.290 -0.838 -1.174 201 HG22 ILE 30 2HG2 ILE 30 7.800 -0.050 -1.631 202 HG23 ILE 30 3HG2 ILE 30 6.573 0.847 -0.737 203 HD11 ILE 30 3HD1 ILE 30 6.727 2.969 -2.463 204 HD12 ILE 30 1HD1 ILE 30 8.264 3.039 -3.325 205 HD13 ILE 30 2HD1 ILE 30 6.751 3.293 -4.196 206 H HIS 31 H HIS 31 3.071 -0.170 -3.197 207 HA HIS 31 HA HIS 31 2.683 -1.724 -0.828 208 HB2 HIS 31 1HB HIS 31 1.247 0.081 -0.861 209 HB3 HIS 31 2HB HIS 31 0.953 -0.048 -2.592 210 HD1 HIS 31 HD1 HIS 31 0.309 -2.489 0.264 211 HD2 HIS 31 HD2 HIS 31 -1.664 -0.627 -2.883 212 HE1 HIS 31 HE1 HIS 31 -2.035 -3.399 0.308 213 H GLN 32 H GLN 32 1.820 -2.107 -4.238 214 HA GLN 32 HA GLN 32 0.188 -4.308 -4.142 215 HB2 GLN 32 1HB GLN 32 2.332 -3.614 -6.150 216 HB3 GLN 32 2HB GLN 32 1.167 -4.910 -6.388 217 HG2 GLN 32 1HG GLN 32 0.408 -2.038 -5.922 218 HG3 GLN 32 2HG GLN 32 0.599 -2.764 -7.517 219 HE21 GLN 32 1HE2 GLN 32 -1.725 -1.821 -7.360 220 HE22 GLN 32 2HE2 GLN 32 -2.946 -2.969 -6.939 221 H ALA 33 H ALA 33 3.485 -4.119 -3.261 222 HA ALA 33 HA ALA 33 4.090 -6.908 -3.627 223 HB1 ALA 33 3HB ALA 33 5.517 -4.513 -2.777 224 HB2 ALA 33 1HB ALA 33 5.969 -5.956 -1.867 225 HB3 ALA 33 2HB ALA 33 6.105 -5.943 -3.626 226 H THR 34 H THR 34 1.912 -5.648 -1.710 227 HA THR 34 HA THR 34 2.634 -7.239 0.661 228 HB THR 34 HB THR 34 2.083 -4.713 0.854 229 HG1 THR 34 HG1 THR 34 0.704 -5.364 2.820 230 HG21 THR 34 3HG2 THR 34 0.011 -4.884 -0.531 231 HG22 THR 34 1HG2 THR 34 -0.244 -4.144 1.049 232 HG23 THR 34 2HG2 THR 34 -0.724 -5.818 0.772 233 H HIS 35 H HIS 35 0.220 -6.720 -1.812 234 HA HIS 35 HA HIS 35 -1.764 -8.420 -0.655 235 HB2 HIS 35 1HB HIS 35 -1.383 -7.191 -3.373 236 HB3 HIS 35 2HB HIS 35 -2.670 -8.356 -3.079 237 HD1 HIS 35 HD1 HIS 35 -4.199 -7.611 -0.839 238 HD2 HIS 35 HD2 HIS 35 -2.199 -4.655 -2.967 239 HE1 HIS 35 HE1 HIS 35 -5.353 -5.457 -0.245 240 H SER 36 H SER 36 -0.943 -10.425 -0.201 241 HA SER 36 HA SER 36 0.802 -11.963 -1.656 242 HB2 SER 36 1HB SER 36 -0.324 -13.946 -0.593 243 HB3 SER 36 2HB SER 36 0.114 -12.667 0.539 244 HG SER 36 HG SER 36 -2.086 -13.597 0.698 245 H GLY 37 H GLY 37 -2.749 -11.941 -1.941 246 HA2 GLY 37 1HA GLY 37 -2.445 -12.860 -4.715 247 HA3 GLY 37 2HA GLY 37 -3.496 -13.766 -3.636 248 H GLU 38 H GLU 38 -5.555 -13.336 -4.023 249 HA GLU 38 HA GLU 38 -6.328 -10.537 -4.511 250 HB2 GLU 38 1HB GLU 38 -7.238 -13.021 -5.950 251 HB3 GLU 38 2HB GLU 38 -8.194 -11.546 -5.953 252 HG2 GLU 38 1HG GLU 38 -7.012 -11.316 -7.896 253 HG3 GLU 38 2HG GLU 38 -5.980 -10.442 -6.765 254 H LYS 39 H LYS 39 -7.924 -9.782 -3.264 255 HA LYS 39 HA LYS 39 -9.479 -11.727 -1.688 256 HB2 LYS 39 1HB LYS 39 -7.738 -10.290 -0.459 257 HB3 LYS 39 2HB LYS 39 -8.825 -8.940 -0.756 258 HG2 LYS 39 1HG LYS 39 -10.457 -9.771 0.652 259 HG3 LYS 39 2HG LYS 39 -9.846 -11.424 0.551 260 HD2 LYS 39 1HD LYS 39 -7.847 -10.728 1.822 261 HD3 LYS 39 2HD LYS 39 -8.533 -9.108 1.974 262 HE2 LYS 39 1HE LYS 39 -10.161 -11.444 2.849 263 HE3 LYS 39 2HE LYS 39 -8.831 -10.910 3.876 264 HZ1 LYS 39 3HZ LYS 39 -10.715 -8.897 2.886 265 HZ2 LYS 39 1HZ LYS 39 -9.855 -8.946 4.343 266 HZ3 LYS 39 2HZ LYS 39 -11.224 -9.917 4.135 267 HA PRO 40 HA PRO 40 -12.320 -9.064 -4.275 268 HB2 PRO 40 1HB PRO 40 -13.710 -11.135 -5.347 269 HB3 PRO 40 2HB PRO 40 -12.232 -10.492 -6.072 270 HG2 PRO 40 1HG PRO 40 -12.598 -12.906 -4.339 271 HG3 PRO 40 2HG PRO 40 -11.618 -12.719 -5.806 272 HD2 PRO 40 1HD PRO 40 -10.550 -12.635 -3.319 273 HD3 PRO 40 2HD PRO 40 -9.892 -11.694 -4.674 274 H SER 41 H SER 41 -12.439 -11.063 -1.629 275 HA SER 41 HA SER 41 -15.301 -11.225 -1.333 276 HB2 SER 41 1HB SER 41 -13.656 -12.911 -0.398 277 HB3 SER 41 2HB SER 41 -13.215 -11.698 0.803 278 HG SER 41 HG SER 41 -15.926 -12.244 0.486 279 H GLY 42 H GLY 42 -16.073 -9.120 -1.358 280 HA2 GLY 42 1HA GLY 42 -16.875 -7.666 0.555 281 HA3 GLY 42 2HA GLY 42 -15.165 -7.391 0.856 282 HA PRO 43 HA PRO 43 -16.181 -5.224 -3.355 283 HB2 PRO 43 1HB PRO 43 -18.811 -5.016 -3.996 284 HB3 PRO 43 2HB PRO 43 -17.803 -6.377 -4.502 285 HG2 PRO 43 1HG PRO 43 -19.732 -6.194 -2.220 286 HG3 PRO 43 2HG PRO 43 -19.488 -7.517 -3.375 287 HD2 PRO 43 1HD PRO 43 -18.456 -7.560 -0.872 288 HD3 PRO 43 2HD PRO 43 -17.644 -8.325 -2.254 289 H SER 44 H SER 44 -16.025 -3.077 -3.199 290 HA SER 44 HA SER 44 -17.842 -1.670 -1.353 291 HB2 SER 44 1HB SER 44 -15.629 -1.730 -0.370 292 HB3 SER 44 2HB SER 44 -14.906 -1.147 -1.869 293 HG SER 44 HG SER 44 -15.124 0.683 -0.779 294 H SER 45 H SER 45 -15.721 -1.248 -4.177 295 HA SER 45 HA SER 45 -16.267 1.204 -5.082 296 HB2 SER 45 1HB SER 45 -16.229 -1.359 -6.680 297 HB3 SER 45 2HB SER 45 -16.289 0.234 -7.435 298 HG SER 45 HG SER 45 -14.328 -0.256 -5.501 299 H GLY 46 H GLY 46 -17.861 2.294 -6.248 300 HA2 GLY 46 1HA GLY 46 -20.504 1.872 -5.511 301 HA3 GLY 46 2HA GLY 46 -19.996 2.859 -6.873 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -17.303 19.998 17.659 2 HA2 GLY 1 1HA GLY 1 -16.907 17.339 18.075 3 HA3 GLY 1 2HA GLY 1 -18.370 17.676 18.989 4 H SER 2 H SER 2 -17.147 18.773 15.826 5 HA SER 2 HA SER 2 -19.664 17.799 14.641 6 HB2 SER 2 1HB SER 2 -19.613 19.682 13.095 7 HB3 SER 2 2HB SER 2 -19.562 20.278 14.754 8 HG SER 2 HG SER 2 -17.287 20.496 14.505 9 H SER 3 H SER 3 -19.493 17.414 12.257 10 HA SER 3 HA SER 3 -16.992 17.016 11.007 11 HB2 SER 3 1HB SER 3 -16.732 14.650 11.093 12 HB3 SER 3 2HB SER 3 -16.984 15.170 12.759 13 HG SER 3 HG SER 3 -18.961 14.301 12.754 14 H GLY 4 H GLY 4 -17.342 17.039 8.880 15 HA2 GLY 4 1HA GLY 4 -19.949 17.162 7.808 16 HA3 GLY 4 2HA GLY 4 -18.464 17.036 6.877 17 H SER 5 H SER 5 -21.117 15.755 6.522 18 HA SER 5 HA SER 5 -20.820 12.983 7.149 19 HB2 SER 5 1HB SER 5 -22.847 12.655 5.899 20 HB3 SER 5 2HB SER 5 -23.022 14.159 6.802 21 HG SER 5 HG SER 5 -22.191 15.146 4.748 22 H SER 6 H SER 6 -20.011 15.016 4.427 23 HA SER 6 HA SER 6 -18.519 12.805 3.250 24 HB2 SER 6 1HB SER 6 -19.477 12.978 1.091 25 HB3 SER 6 2HB SER 6 -20.851 12.951 2.197 26 HG SER 6 HG SER 6 -19.680 15.271 1.050 27 H GLY 7 H GLY 7 -17.193 13.644 1.324 28 HA2 GLY 7 1HA GLY 7 -16.598 16.449 1.254 29 HA3 GLY 7 2HA GLY 7 -15.386 15.535 2.140 30 H THR 8 H THR 8 -14.370 16.776 0.102 31 HA THR 8 HA THR 8 -14.578 15.527 -2.425 32 HB THR 8 HB THR 8 -12.500 16.709 -2.996 33 HG1 THR 8 HG1 THR 8 -12.343 16.909 -0.212 34 HG21 THR 8 3HG2 THR 8 -13.332 18.922 -2.798 35 HG22 THR 8 1HG2 THR 8 -14.232 18.530 -1.333 36 HG23 THR 8 2HG2 THR 8 -14.747 17.874 -2.888 37 H GLY 9 H GLY 9 -12.849 14.325 -3.526 38 HA2 GLY 9 1HA GLY 9 -10.886 12.937 -1.948 39 HA3 GLY 9 2HA GLY 9 -12.245 11.916 -2.396 40 H GLU 10 H GLU 10 -10.289 14.391 -4.065 41 HA GLU 10 HA GLU 10 -10.269 12.731 -6.453 42 HB2 GLU 10 1HB GLU 10 -10.570 15.342 -6.278 43 HB3 GLU 10 2HB GLU 10 -8.812 15.334 -6.260 44 HG2 GLU 10 1HG GLU 10 -10.319 13.866 -8.383 45 HG3 GLU 10 2HG GLU 10 -10.048 15.603 -8.503 46 H LYS 11 H LYS 11 -8.932 11.023 -5.756 47 HA LYS 11 HA LYS 11 -6.137 11.711 -5.179 48 HB2 LYS 11 1HB LYS 11 -7.599 9.080 -4.885 49 HB3 LYS 11 2HB LYS 11 -5.916 9.360 -4.457 50 HG2 LYS 11 1HG LYS 11 -8.032 11.062 -3.229 51 HG3 LYS 11 2HG LYS 11 -7.782 9.418 -2.635 52 HD2 LYS 11 1HD LYS 11 -5.669 9.883 -1.843 53 HD3 LYS 11 2HD LYS 11 -5.425 11.216 -2.974 54 HE2 LYS 11 1HE LYS 11 -7.326 11.260 -0.633 55 HE3 LYS 11 2HE LYS 11 -5.709 11.961 -0.631 56 HZ1 LYS 11 3HZ LYS 11 -8.112 12.853 -2.073 57 HZ2 LYS 11 1HZ LYS 11 -6.582 13.226 -2.691 58 HZ3 LYS 11 2HZ LYS 11 -7.023 13.757 -1.147 59 HA PRO 12 HA PRO 12 -4.847 10.518 -9.215 60 HB2 PRO 12 1HB PRO 12 -2.260 9.893 -8.676 61 HB3 PRO 12 2HB PRO 12 -2.857 11.556 -8.723 62 HG2 PRO 12 1HG PRO 12 -2.366 9.785 -6.360 63 HG3 PRO 12 2HG PRO 12 -1.975 11.502 -6.572 64 HD2 PRO 12 1HD PRO 12 -4.141 10.662 -5.180 65 HD3 PRO 12 2HD PRO 12 -4.127 12.180 -6.101 66 H TYR 13 H TYR 13 -3.689 8.372 -6.609 67 HA TYR 13 HA TYR 13 -4.395 6.076 -8.314 68 HB2 TYR 13 1HB TYR 13 -1.914 6.562 -6.697 69 HB3 TYR 13 2HB TYR 13 -2.461 4.918 -7.006 70 HD1 TYR 13 HD1 TYR 13 -1.225 8.015 -8.579 71 HD2 TYR 13 HD2 TYR 13 -2.218 3.920 -9.165 72 HE1 TYR 13 HE1 TYR 13 -0.114 8.067 -10.772 73 HE2 TYR 13 HE2 TYR 13 -1.109 3.959 -11.360 74 HH TYR 13 HH TYR 13 -0.011 6.916 -12.811 75 H LYS 14 H LYS 14 -5.480 4.425 -7.360 76 HA LYS 14 HA LYS 14 -5.745 4.351 -4.458 77 HB2 LYS 14 1HB LYS 14 -7.573 5.820 -5.266 78 HB3 LYS 14 2HB LYS 14 -8.151 4.508 -6.285 79 HG2 LYS 14 1HG LYS 14 -9.017 3.341 -4.533 80 HG3 LYS 14 2HG LYS 14 -7.840 3.977 -3.382 81 HD2 LYS 14 1HD LYS 14 -9.013 6.218 -3.659 82 HD3 LYS 14 2HD LYS 14 -10.297 5.325 -4.478 83 HE2 LYS 14 1HE LYS 14 -11.049 5.396 -2.289 84 HE3 LYS 14 2HE LYS 14 -10.261 3.821 -2.371 85 HZ1 LYS 14 3HZ LYS 14 -8.257 4.890 -1.419 86 HZ2 LYS 14 1HZ LYS 14 -9.588 4.907 -0.375 87 HZ3 LYS 14 2HZ LYS 14 -9.147 6.313 -1.205 88 H CYS 15 H CYS 15 -5.446 2.324 -3.840 89 HA CYS 15 HA CYS 15 -5.414 0.154 -5.670 90 HB2 CYS 15 1HB CYS 15 -4.034 0.353 -3.561 91 HB3 CYS 15 2HB CYS 15 -5.493 -0.033 -2.656 92 H ASN 16 H ASN 16 -7.023 -1.092 -6.351 93 HA ASN 16 HA ASN 16 -9.663 -0.774 -5.191 94 HB2 ASN 16 1HB ASN 16 -10.507 -1.644 -7.161 95 HB3 ASN 16 2HB ASN 16 -9.004 -0.926 -7.732 96 HD21 ASN 16 1HD2 ASN 16 -7.092 -2.454 -7.650 97 HD22 ASN 16 2HD2 ASN 16 -7.377 -4.067 -8.198 98 H GLU 17 H GLU 17 -7.202 -2.455 -4.155 99 HA GLU 17 HA GLU 17 -8.586 -5.011 -3.793 100 HB2 GLU 17 1HB GLU 17 -5.752 -4.204 -3.112 101 HB3 GLU 17 2HB GLU 17 -6.429 -5.813 -2.898 102 HG2 GLU 17 1HG GLU 17 -6.322 -4.449 -5.568 103 HG3 GLU 17 2HG GLU 17 -5.003 -5.440 -4.948 104 H CYS 18 H CYS 18 -6.935 -2.514 -1.869 105 HA CYS 18 HA CYS 18 -8.473 -3.425 0.474 106 HB2 CYS 18 1HB CYS 18 -6.671 -2.317 1.825 107 HB3 CYS 18 2HB CYS 18 -6.127 -3.706 0.890 108 H GLY 19 H GLY 19 -7.365 -0.622 -1.357 109 HA2 GLY 19 1HA GLY 19 -9.034 1.163 -1.660 110 HA3 GLY 19 2HA GLY 19 -9.413 0.982 0.047 111 H LYS 20 H LYS 20 -6.106 0.797 -0.926 112 HA LYS 20 HA LYS 20 -5.400 3.020 0.712 113 HB2 LYS 20 1HB LYS 20 -3.895 1.160 -1.095 114 HB3 LYS 20 2HB LYS 20 -3.103 2.599 -0.465 115 HG2 LYS 20 1HG LYS 20 -4.497 0.724 1.395 116 HG3 LYS 20 2HG LYS 20 -2.878 0.351 0.798 117 HD2 LYS 20 1HD LYS 20 -1.981 2.338 1.749 118 HD3 LYS 20 2HD LYS 20 -3.590 2.969 2.107 119 HE2 LYS 20 1HE LYS 20 -3.943 1.193 3.731 120 HE3 LYS 20 2HE LYS 20 -2.369 0.502 3.343 121 HZ1 LYS 20 3HZ LYS 20 -1.766 3.061 3.962 122 HZ2 LYS 20 1HZ LYS 20 -1.645 1.751 5.026 123 HZ3 LYS 20 2HZ LYS 20 -3.025 2.729 5.042 124 H ALA 21 H ALA 21 -4.081 4.857 -0.059 125 HA ALA 21 HA ALA 21 -4.602 5.666 -2.820 126 HB1 ALA 21 3HB ALA 21 -6.478 6.576 -1.589 127 HB2 ALA 21 1HB ALA 21 -5.384 7.325 -0.426 128 HB3 ALA 21 2HB ALA 21 -5.406 7.879 -2.101 129 H PHE 22 H PHE 22 -2.744 6.303 -3.672 130 HA PHE 22 HA PHE 22 -0.715 7.493 -1.898 131 HB2 PHE 22 1HB PHE 22 -0.168 6.177 -4.557 132 HB3 PHE 22 2HB PHE 22 0.986 6.581 -3.290 133 HD1 PHE 22 HD2 PHE 22 -2.083 4.521 -3.790 134 HD2 PHE 22 HD1 PHE 22 1.722 4.894 -1.921 135 HE1 PHE 22 HE2 PHE 22 -2.325 2.258 -2.856 136 HE2 PHE 22 HE1 PHE 22 1.487 2.631 -0.984 137 HZ PHE 22 HZ PHE 22 -0.538 1.310 -1.451 138 H ARG 23 H ARG 23 0.981 8.672 -3.558 139 HA ARG 23 HA ARG 23 -0.662 10.664 -4.977 140 HB2 ARG 23 1HB ARG 23 1.991 11.001 -3.568 141 HB3 ARG 23 2HB ARG 23 1.206 12.252 -4.522 142 HG2 ARG 23 1HG ARG 23 0.544 12.841 -2.418 143 HG3 ARG 23 2HG ARG 23 -0.799 11.803 -2.900 144 HD2 ARG 23 1HD ARG 23 0.606 9.909 -1.827 145 HD3 ARG 23 2HD ARG 23 1.464 11.225 -1.028 146 HE ARG 23 HE ARG 23 -1.113 10.230 -0.370 147 HH11 ARG 23 1HH1 ARG 23 0.779 13.149 -0.505 148 HH12 ARG 23 2HH1 ARG 23 -0.122 13.946 0.742 149 HH21 ARG 23 1HH2 ARG 23 -2.307 11.268 1.273 150 HH22 ARG 23 2HH2 ARG 23 -1.877 12.875 1.753 151 H ALA 24 H ALA 24 2.041 8.502 -5.164 152 HA ALA 24 HA ALA 24 2.401 9.257 -7.988 153 HB1 ALA 24 3HB ALA 24 4.704 9.176 -7.860 154 HB2 ALA 24 1HB ALA 24 4.279 9.912 -6.315 155 HB3 ALA 24 2HB ALA 24 4.694 8.199 -6.392 156 H ARG 25 H ARG 25 3.965 7.351 -8.939 157 HA ARG 25 HA ARG 25 2.280 5.011 -8.834 158 HB2 ARG 25 1HB ARG 25 4.758 5.658 -10.436 159 HB3 ARG 25 2HB ARG 25 3.861 4.154 -10.589 160 HG2 ARG 25 1HG ARG 25 2.918 5.320 -12.290 161 HG3 ARG 25 2HG ARG 25 1.845 5.819 -10.981 162 HD2 ARG 25 1HD ARG 25 3.277 7.824 -10.652 163 HD3 ARG 25 2HD ARG 25 4.212 7.339 -12.066 164 HE ARG 25 HE ARG 25 1.711 8.678 -12.065 165 HH11 ARG 25 1HH1 ARG 25 3.570 6.296 -13.794 166 HH12 ARG 25 2HH1 ARG 25 2.788 6.596 -15.310 167 HH21 ARG 25 1HH2 ARG 25 0.674 9.082 -14.056 168 HH22 ARG 25 2HH2 ARG 25 1.141 8.182 -15.458 169 H SER 26 H SER 26 5.817 5.422 -8.571 170 HA SER 26 HA SER 26 6.525 2.975 -7.632 171 HB2 SER 26 1HB SER 26 8.001 5.040 -8.074 172 HB3 SER 26 2HB SER 26 7.696 5.457 -6.387 173 HG SER 26 HG SER 26 9.082 3.994 -5.820 174 H SER 27 H SER 27 4.776 5.433 -5.920 175 HA SER 27 HA SER 27 5.180 4.394 -3.297 176 HB2 SER 27 1HB SER 27 4.344 6.756 -4.066 177 HB3 SER 27 2HB SER 27 2.754 5.993 -4.043 178 HG SER 27 HG SER 27 3.686 5.268 -1.810 179 H LEU 28 H LEU 28 2.681 3.985 -5.760 180 HA LEU 28 HA LEU 28 1.013 2.343 -4.111 181 HB2 LEU 28 1HB LEU 28 -0.119 3.501 -5.792 182 HB3 LEU 28 2HB LEU 28 1.060 3.048 -7.022 183 HG LEU 28 HG LEU 28 0.147 0.632 -6.576 184 HD11 LEU 28 1HD1 LEU 28 -2.509 1.416 -6.266 185 HD12 LEU 28 2HD1 LEU 28 -1.623 2.277 -5.007 186 HD13 LEU 28 3HD1 LEU 28 -1.519 0.519 -5.114 187 HD21 LEU 28 3HD2 LEU 28 -0.872 0.839 -8.571 188 HD22 LEU 28 1HD2 LEU 28 -0.183 2.462 -8.540 189 HD23 LEU 28 2HD2 LEU 28 -1.857 2.205 -8.046 190 H ALA 29 H ALA 29 3.503 1.781 -6.529 191 HA ALA 29 HA ALA 29 3.125 -0.947 -6.967 192 HB1 ALA 29 3HB ALA 29 5.898 -0.487 -7.017 193 HB2 ALA 29 1HB ALA 29 4.778 -0.506 -8.379 194 HB3 ALA 29 2HB ALA 29 5.132 1.009 -7.549 195 H ILE 30 H ILE 30 5.431 0.585 -4.711 196 HA ILE 30 HA ILE 30 6.512 -1.565 -3.480 197 HB ILE 30 HB ILE 30 5.521 0.909 -2.056 198 HG12 ILE 30 1HG1 ILE 30 8.351 0.443 -2.919 199 HG13 ILE 30 2HG1 ILE 30 7.176 1.018 -4.097 200 HG21 ILE 30 1HG2 ILE 30 6.737 0.327 -0.215 201 HG22 ILE 30 2HG2 ILE 30 6.280 -1.279 -0.781 202 HG23 ILE 30 3HG2 ILE 30 7.884 -0.641 -1.140 203 HD11 ILE 30 3HD1 ILE 30 8.622 2.713 -2.786 204 HD12 ILE 30 1HD1 ILE 30 6.907 3.041 -3.034 205 HD13 ILE 30 2HD1 ILE 30 7.471 2.420 -1.482 206 H HIS 31 H HIS 31 3.267 -0.301 -2.962 207 HA HIS 31 HA HIS 31 2.687 -2.130 -0.815 208 HB2 HIS 31 1HB HIS 31 1.431 -0.204 -0.583 209 HB3 HIS 31 2HB HIS 31 1.162 -0.044 -2.316 210 HD1 HIS 31 HD1 HIS 31 0.191 -2.667 0.280 211 HD2 HIS 31 HD2 HIS 31 -1.439 -0.478 -2.853 212 HE1 HIS 31 HE1 HIS 31 -2.213 -3.391 0.134 213 H GLN 32 H GLN 32 1.842 -1.856 -4.245 214 HA GLN 32 HA GLN 32 0.053 -3.943 -4.478 215 HB2 GLN 32 1HB GLN 32 2.142 -2.943 -6.410 216 HB3 GLN 32 2HB GLN 32 0.949 -4.160 -6.843 217 HG2 GLN 32 1HG GLN 32 0.284 -1.399 -5.850 218 HG3 GLN 32 2HG GLN 32 0.346 -1.869 -7.548 219 HE21 GLN 32 1HE2 GLN 32 -1.926 -0.944 -7.171 220 HE22 GLN 32 2HE2 GLN 32 -3.154 -2.106 -6.815 221 H ALA 33 H ALA 33 3.365 -4.085 -3.692 222 HA ALA 33 HA ALA 33 3.785 -6.793 -4.604 223 HB1 ALA 33 3HB ALA 33 5.587 -5.036 -4.461 224 HB2 ALA 33 1HB ALA 33 5.527 -5.234 -2.709 225 HB3 ALA 33 2HB ALA 33 5.981 -6.594 -3.736 226 H THR 34 H THR 34 1.792 -5.796 -2.380 227 HA THR 34 HA THR 34 2.559 -7.799 -0.360 228 HB THR 34 HB THR 34 2.179 -5.302 0.280 229 HG1 THR 34 HG1 THR 34 2.344 -7.175 1.726 230 HG21 THR 34 3HG2 THR 34 -0.028 -5.211 -0.929 231 HG22 THR 34 1HG2 THR 34 -0.070 -4.657 0.744 232 HG23 THR 34 2HG2 THR 34 -0.680 -6.259 0.330 233 H HIS 35 H HIS 35 0.004 -6.681 -2.482 234 HA HIS 35 HA HIS 35 -2.003 -8.453 -1.504 235 HB2 HIS 35 1HB HIS 35 -1.708 -6.760 -3.967 236 HB3 HIS 35 2HB HIS 35 -3.035 -7.911 -3.831 237 HD1 HIS 35 HD1 HIS 35 -4.641 -7.521 -1.687 238 HD2 HIS 35 HD2 HIS 35 -2.156 -4.366 -2.752 239 HE1 HIS 35 HE1 HIS 35 -5.604 -5.493 -0.552 240 H SER 36 H SER 36 0.104 -8.508 -4.372 241 HA SER 36 HA SER 36 -0.672 -10.727 -5.680 242 HB2 SER 36 1HB SER 36 1.426 -9.227 -6.028 243 HB3 SER 36 2HB SER 36 2.252 -10.436 -5.045 244 HG SER 36 HG SER 36 2.477 -11.260 -7.013 245 H GLY 37 H GLY 37 -1.264 -12.672 -5.002 246 HA2 GLY 37 1HA GLY 37 -0.329 -14.823 -4.193 247 HA3 GLY 37 2HA GLY 37 0.298 -13.919 -2.823 248 H GLU 38 H GLU 38 -2.899 -13.647 -4.314 249 HA GLU 38 HA GLU 38 -4.981 -13.734 -3.383 250 HB2 GLU 38 1HB GLU 38 -3.744 -16.194 -2.135 251 HB3 GLU 38 2HB GLU 38 -5.466 -15.839 -2.139 252 HG2 GLU 38 1HG GLU 38 -5.629 -16.110 -4.462 253 HG3 GLU 38 2HG GLU 38 -3.881 -16.035 -4.676 254 H LYS 39 H LYS 39 -3.405 -11.923 -2.067 255 HA LYS 39 HA LYS 39 -4.008 -12.356 0.781 256 HB2 LYS 39 1HB LYS 39 -1.862 -10.882 -0.658 257 HB3 LYS 39 2HB LYS 39 -2.427 -10.202 0.863 258 HG2 LYS 39 1HG LYS 39 -1.777 -12.116 2.076 259 HG3 LYS 39 2HG LYS 39 -1.543 -13.061 0.603 260 HD2 LYS 39 1HD LYS 39 0.630 -12.516 1.170 261 HD3 LYS 39 2HD LYS 39 0.220 -11.231 0.032 262 HE2 LYS 39 1HE LYS 39 -0.376 -9.787 1.960 263 HE3 LYS 39 2HE LYS 39 0.177 -11.063 3.044 264 HZ1 LYS 39 3HZ LYS 39 2.004 -10.084 0.967 265 HZ2 LYS 39 1HZ LYS 39 2.353 -10.711 2.499 266 HZ3 LYS 39 2HZ LYS 39 1.762 -9.134 2.345 267 HA PRO 40 HA PRO 40 -7.140 -9.263 -0.602 268 HB2 PRO 40 1HB PRO 40 -9.115 -10.234 0.988 269 HB3 PRO 40 2HB PRO 40 -8.769 -10.883 -0.619 270 HG2 PRO 40 1HG PRO 40 -7.944 -11.926 2.063 271 HG3 PRO 40 2HG PRO 40 -8.551 -12.817 0.655 272 HD2 PRO 40 1HD PRO 40 -5.919 -12.695 1.277 273 HD3 PRO 40 2HD PRO 40 -6.500 -12.802 -0.397 274 H SER 41 H SER 41 -5.316 -9.826 2.081 275 HA SER 41 HA SER 41 -6.334 -8.768 4.304 276 HB2 SER 41 1HB SER 41 -3.850 -9.274 3.670 277 HB3 SER 41 2HB SER 41 -3.773 -7.547 3.321 278 HG SER 41 HG SER 41 -4.251 -7.101 5.430 279 H GLY 42 H GLY 42 -7.586 -7.094 4.768 280 HA2 GLY 42 1HA GLY 42 -6.995 -4.428 4.184 281 HA3 GLY 42 2HA GLY 42 -8.116 -4.993 2.954 282 HA PRO 43 HA PRO 43 -10.340 -5.138 7.280 283 HB2 PRO 43 1HB PRO 43 -9.246 -3.514 9.161 284 HB3 PRO 43 2HB PRO 43 -8.798 -5.215 8.981 285 HG2 PRO 43 1HG PRO 43 -7.386 -2.768 7.988 286 HG3 PRO 43 2HG PRO 43 -6.709 -4.218 8.753 287 HD2 PRO 43 1HD PRO 43 -6.651 -3.821 6.075 288 HD3 PRO 43 2HD PRO 43 -6.783 -5.437 6.798 289 H SER 44 H SER 44 -9.366 -2.719 5.270 290 HA SER 44 HA SER 44 -11.605 -1.012 6.093 291 HB2 SER 44 1HB SER 44 -8.779 -0.110 5.536 292 HB3 SER 44 2HB SER 44 -10.154 0.990 5.442 293 HG SER 44 HG SER 44 -9.808 1.201 7.507 294 H SER 45 H SER 45 -12.540 0.225 4.399 295 HA SER 45 HA SER 45 -11.879 -0.788 1.712 296 HB2 SER 45 1HB SER 45 -14.058 -1.579 2.359 297 HB3 SER 45 2HB SER 45 -14.545 0.034 2.881 298 HG SER 45 HG SER 45 -15.119 0.424 0.909 299 H GLY 46 H GLY 46 -13.559 1.995 3.197 300 HA2 GLY 46 1HA GLY 46 -13.271 4.257 2.852 301 HA3 GLY 46 2HA GLY 46 -11.803 3.886 1.959 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -21.657 8.913 7.010 2 HA2 GLY 1 1HA GLY 1 -22.651 10.199 5.371 3 HA3 GLY 1 2HA GLY 1 -22.960 11.430 6.587 4 H SER 2 H SER 2 -21.821 13.256 6.489 5 HA SER 2 HA SER 2 -20.180 13.892 4.349 6 HB2 SER 2 1HB SER 2 -20.448 15.143 7.083 7 HB3 SER 2 2HB SER 2 -19.424 15.835 5.826 8 HG SER 2 HG SER 2 -21.465 16.775 5.734 9 H SER 3 H SER 3 -18.076 13.663 3.893 10 HA SER 3 HA SER 3 -16.428 12.188 5.800 11 HB2 SER 3 1HB SER 3 -16.436 11.211 3.626 12 HB3 SER 3 2HB SER 3 -16.138 12.766 2.850 13 HG SER 3 HG SER 3 -14.075 12.760 3.919 14 H GLY 4 H GLY 4 -14.461 12.902 6.568 15 HA2 GLY 4 1HA GLY 4 -14.142 15.769 6.679 16 HA3 GLY 4 2HA GLY 4 -13.165 14.575 7.520 17 H SER 5 H SER 5 -13.832 15.295 4.090 18 HA SER 5 HA SER 5 -10.922 15.498 3.678 19 HB2 SER 5 1HB SER 5 -11.254 14.457 1.446 20 HB3 SER 5 2HB SER 5 -11.679 13.371 2.768 21 HG SER 5 HG SER 5 -13.539 14.955 1.324 22 H SER 6 H SER 6 -11.093 17.773 3.838 23 HA SER 6 HA SER 6 -12.643 19.107 1.734 24 HB2 SER 6 1HB SER 6 -12.268 21.170 3.015 25 HB3 SER 6 2HB SER 6 -12.984 19.921 4.033 26 HG SER 6 HG SER 6 -11.081 19.646 5.059 27 H GLY 7 H GLY 7 -11.178 18.497 0.045 28 HA2 GLY 7 1HA GLY 7 -9.571 19.155 -1.478 29 HA3 GLY 7 2HA GLY 7 -9.134 20.462 -0.387 30 H THR 8 H THR 8 -8.764 16.978 -0.910 31 HA THR 8 HA THR 8 -5.981 17.148 -0.148 32 HB THR 8 HB THR 8 -7.145 16.819 2.032 33 HG1 THR 8 HG1 THR 8 -5.010 15.771 1.270 34 HG21 THR 8 3HG2 THR 8 -8.976 15.383 0.947 35 HG22 THR 8 1HG2 THR 8 -8.378 14.886 2.529 36 HG23 THR 8 2HG2 THR 8 -7.826 14.052 1.077 37 H GLY 9 H GLY 9 -4.879 15.923 -1.526 38 HA2 GLY 9 1HA GLY 9 -4.359 14.281 -3.043 39 HA3 GLY 9 2HA GLY 9 -5.428 13.241 -2.113 40 H GLU 10 H GLU 10 -4.924 14.705 -5.075 41 HA GLU 10 HA GLU 10 -7.689 14.958 -5.852 42 HB2 GLU 10 1HB GLU 10 -5.160 15.035 -7.507 43 HB3 GLU 10 2HB GLU 10 -6.769 15.427 -8.099 44 HG2 GLU 10 1HG GLU 10 -6.005 17.517 -7.660 45 HG3 GLU 10 2HG GLU 10 -6.719 17.134 -6.095 46 H LYS 11 H LYS 11 -7.330 12.440 -4.871 47 HA LYS 11 HA LYS 11 -7.304 10.185 -5.371 48 HB2 LYS 11 1HB LYS 11 -9.117 9.629 -6.991 49 HB3 LYS 11 2HB LYS 11 -9.603 10.780 -5.754 50 HG2 LYS 11 1HG LYS 11 -9.236 12.612 -7.379 51 HG3 LYS 11 2HG LYS 11 -8.889 11.398 -8.613 52 HD2 LYS 11 1HD LYS 11 -11.462 11.494 -7.048 53 HD3 LYS 11 2HD LYS 11 -11.242 12.283 -8.612 54 HE2 LYS 11 1HE LYS 11 -10.852 10.195 -9.693 55 HE3 LYS 11 2HE LYS 11 -10.757 9.346 -8.151 56 HZ1 LYS 11 3HZ LYS 11 -12.886 8.972 -9.198 57 HZ2 LYS 11 1HZ LYS 11 -13.180 10.635 -9.288 58 HZ3 LYS 11 2HZ LYS 11 -13.100 9.871 -7.781 59 HA PRO 12 HA PRO 12 -4.536 10.747 -9.174 60 HB2 PRO 12 1HB PRO 12 -2.160 10.334 -7.927 61 HB3 PRO 12 2HB PRO 12 -2.886 11.936 -8.105 62 HG2 PRO 12 1HG PRO 12 -2.911 10.097 -5.743 63 HG3 PRO 12 2HG PRO 12 -2.653 11.851 -5.793 64 HD2 PRO 12 1HD PRO 12 -5.028 10.746 -5.105 65 HD3 PRO 12 2HD PRO 12 -4.908 12.304 -5.948 66 H TYR 13 H TYR 13 -3.951 8.584 -6.396 67 HA TYR 13 HA TYR 13 -4.157 6.291 -8.201 68 HB2 TYR 13 1HB TYR 13 -1.820 6.868 -6.381 69 HB3 TYR 13 2HB TYR 13 -2.158 5.264 -7.023 70 HD1 TYR 13 HD1 TYR 13 -1.033 8.656 -7.837 71 HD2 TYR 13 HD2 TYR 13 -1.802 4.762 -9.368 72 HE1 TYR 13 HE1 TYR 13 0.209 9.222 -9.883 73 HE2 TYR 13 HE2 TYR 13 -0.561 5.317 -11.418 74 HH TYR 13 HH TYR 13 -0.026 7.872 -12.609 75 H LYS 14 H LYS 14 -5.126 4.539 -7.315 76 HA LYS 14 HA LYS 14 -5.417 4.324 -4.430 77 HB2 LYS 14 1HB LYS 14 -7.327 5.745 -5.382 78 HB3 LYS 14 2HB LYS 14 -7.891 4.265 -6.148 79 HG2 LYS 14 1HG LYS 14 -8.198 3.209 -4.018 80 HG3 LYS 14 2HG LYS 14 -7.458 4.579 -3.186 81 HD2 LYS 14 1HD LYS 14 -9.279 6.021 -3.879 82 HD3 LYS 14 2HD LYS 14 -9.996 4.707 -4.814 83 HE2 LYS 14 1HE LYS 14 -11.225 4.723 -2.831 84 HE3 LYS 14 2HE LYS 14 -10.057 3.424 -2.595 85 HZ1 LYS 14 3HZ LYS 14 -9.114 5.992 -1.711 86 HZ2 LYS 14 1HZ LYS 14 -9.102 4.502 -0.910 87 HZ3 LYS 14 2HZ LYS 14 -10.490 5.467 -0.879 88 H CYS 15 H CYS 15 -5.824 2.244 -3.720 89 HA CYS 15 HA CYS 15 -5.407 0.165 -5.720 90 HB2 CYS 15 1HB CYS 15 -4.045 0.269 -3.608 91 HB3 CYS 15 2HB CYS 15 -5.509 -0.125 -2.714 92 H ASN 16 H ASN 16 -7.085 -0.841 -6.588 93 HA ASN 16 HA ASN 16 -9.679 -0.760 -5.282 94 HB2 ASN 16 1HB ASN 16 -10.607 -1.267 -7.342 95 HB3 ASN 16 2HB ASN 16 -9.143 -0.419 -7.829 96 HD21 ASN 16 1HD2 ASN 16 -7.215 -1.865 -8.162 97 HD22 ASN 16 2HD2 ASN 16 -7.498 -3.360 -8.982 98 H GLU 17 H GLU 17 -7.431 -2.423 -4.249 99 HA GLU 17 HA GLU 17 -8.696 -5.074 -4.463 100 HB2 GLU 17 1HB GLU 17 -5.850 -4.393 -3.702 101 HB3 GLU 17 2HB GLU 17 -6.525 -6.014 -3.788 102 HG2 GLU 17 1HG GLU 17 -6.657 -4.276 -6.198 103 HG3 GLU 17 2HG GLU 17 -5.120 -5.021 -5.761 104 H CYS 18 H CYS 18 -7.136 -2.818 -2.215 105 HA CYS 18 HA CYS 18 -8.554 -4.164 -0.009 106 HB2 CYS 18 1HB CYS 18 -6.761 -3.325 1.479 107 HB3 CYS 18 2HB CYS 18 -6.150 -4.415 0.239 108 H GLY 19 H GLY 19 -7.360 -1.029 -1.181 109 HA2 GLY 19 1HA GLY 19 -9.208 0.698 -1.212 110 HA3 GLY 19 2HA GLY 19 -9.427 0.272 0.479 111 H LYS 20 H LYS 20 -6.302 0.522 -1.098 112 HA LYS 20 HA LYS 20 -5.543 2.583 0.816 113 HB2 LYS 20 1HB LYS 20 -4.079 0.670 -0.940 114 HB3 LYS 20 2HB LYS 20 -3.261 2.158 -0.481 115 HG2 LYS 20 1HG LYS 20 -4.550 0.523 1.644 116 HG3 LYS 20 2HG LYS 20 -3.021 -0.022 0.952 117 HD2 LYS 20 1HD LYS 20 -2.251 1.277 2.677 118 HD3 LYS 20 2HD LYS 20 -2.317 2.478 1.386 119 HE2 LYS 20 1HE LYS 20 -4.125 3.546 2.287 120 HE3 LYS 20 2HE LYS 20 -4.750 2.081 3.043 121 HZ1 LYS 20 3HZ LYS 20 -3.857 3.776 4.614 122 HZ2 LYS 20 1HZ LYS 20 -2.315 3.490 3.981 123 HZ3 LYS 20 2HZ LYS 20 -3.150 2.247 4.766 124 H ALA 21 H ALA 21 -4.196 4.416 0.051 125 HA ALA 21 HA ALA 21 -4.696 5.258 -2.697 126 HB1 ALA 21 3HB ALA 21 -6.499 6.057 -0.911 127 HB2 ALA 21 1HB ALA 21 -5.285 7.308 -0.640 128 HB3 ALA 21 2HB ALA 21 -5.975 7.081 -2.248 129 H PHE 22 H PHE 22 -2.956 6.212 -3.535 130 HA PHE 22 HA PHE 22 -0.970 7.363 -1.687 131 HB2 PHE 22 1HB PHE 22 -0.290 6.016 -4.301 132 HB3 PHE 22 2HB PHE 22 0.811 6.495 -3.012 133 HD1 PHE 22 HD2 PHE 22 -2.202 4.340 -3.477 134 HD2 PHE 22 HD1 PHE 22 1.612 4.836 -1.654 135 HE1 PHE 22 HE2 PHE 22 -2.383 2.092 -2.494 136 HE2 PHE 22 HE1 PHE 22 1.438 2.588 -0.670 137 HZ PHE 22 HZ PHE 22 -0.562 1.213 -1.088 138 H ARG 23 H ARG 23 0.638 8.791 -2.984 139 HA ARG 23 HA ARG 23 -0.965 10.792 -4.331 140 HB2 ARG 23 1HB ARG 23 0.746 11.368 -2.596 141 HB3 ARG 23 2HB ARG 23 1.993 10.839 -3.717 142 HG2 ARG 23 1HG ARG 23 0.055 12.885 -4.649 143 HG3 ARG 23 2HG ARG 23 1.300 13.372 -3.498 144 HD2 ARG 23 1HD ARG 23 1.902 11.890 -6.048 145 HD3 ARG 23 2HD ARG 23 1.877 13.650 -5.941 146 HE ARG 23 HE ARG 23 3.580 12.360 -4.005 147 HH11 ARG 23 1HH1 ARG 23 3.352 13.710 -7.206 148 HH12 ARG 23 2HH1 ARG 23 5.052 14.016 -7.339 149 HH21 ARG 23 1HH2 ARG 23 5.820 12.758 -4.168 150 HH22 ARG 23 2HH2 ARG 23 6.455 13.473 -5.611 151 H ALA 24 H ALA 24 1.657 8.567 -5.094 152 HA ALA 24 HA ALA 24 1.165 9.072 -7.945 153 HB1 ALA 24 3HB ALA 24 3.160 10.327 -7.393 154 HB2 ALA 24 1HB ALA 24 3.889 8.897 -6.662 155 HB3 ALA 24 2HB ALA 24 3.582 8.941 -8.399 156 H ARG 25 H ARG 25 2.217 7.320 -9.315 157 HA ARG 25 HA ARG 25 1.214 4.815 -8.536 158 HB2 ARG 25 1HB ARG 25 1.711 5.733 -10.900 159 HB3 ARG 25 2HB ARG 25 3.349 5.155 -10.626 160 HG2 ARG 25 1HG ARG 25 2.504 2.891 -10.293 161 HG3 ARG 25 2HG ARG 25 0.856 3.468 -10.552 162 HD2 ARG 25 1HD ARG 25 1.681 2.469 -12.585 163 HD3 ARG 25 2HD ARG 25 1.511 4.209 -12.816 164 HE ARG 25 HE ARG 25 4.101 3.920 -12.075 165 HH11 ARG 25 1HH1 ARG 25 2.123 2.456 -14.538 166 HH12 ARG 25 2HH1 ARG 25 3.441 2.214 -15.636 167 HH21 ARG 25 1HH2 ARG 25 5.844 3.607 -13.513 168 HH22 ARG 25 2HH2 ARG 25 5.557 2.868 -15.052 169 H SER 26 H SER 26 4.609 5.836 -8.950 170 HA SER 26 HA SER 26 5.969 3.642 -8.180 171 HB2 SER 26 1HB SER 26 6.465 6.543 -7.576 172 HB3 SER 26 2HB SER 26 7.569 5.308 -6.973 173 HG SER 26 HG SER 26 8.079 4.747 -9.030 174 H SER 27 H SER 27 4.191 5.803 -6.052 175 HA SER 27 HA SER 27 5.098 4.612 -3.623 176 HB2 SER 27 1HB SER 27 4.121 6.949 -3.896 177 HB3 SER 27 2HB SER 27 2.539 6.176 -3.985 178 HG SER 27 HG SER 27 4.362 6.219 -1.826 179 H LEU 28 H LEU 28 2.300 4.161 -5.718 180 HA LEU 28 HA LEU 28 0.885 2.410 -3.998 181 HB2 LEU 28 1HB LEU 28 -0.304 3.504 -5.739 182 HB3 LEU 28 2HB LEU 28 0.788 2.872 -6.969 183 HG LEU 28 HG LEU 28 -0.117 0.559 -6.272 184 HD11 LEU 28 1HD1 LEU 28 -1.735 2.346 -4.643 185 HD12 LEU 28 2HD1 LEU 28 -1.504 0.602 -4.528 186 HD13 LEU 28 3HD1 LEU 28 -2.701 1.260 -5.643 187 HD21 LEU 28 3HD2 LEU 28 -0.634 1.298 -8.420 188 HD22 LEU 28 1HD2 LEU 28 -1.601 2.649 -7.827 189 HD23 LEU 28 2HD2 LEU 28 -2.214 1.000 -7.694 190 H ALA 29 H ALA 29 3.282 1.906 -6.532 191 HA ALA 29 HA ALA 29 3.108 -0.822 -6.903 192 HB1 ALA 29 3HB ALA 29 4.604 0.131 -8.340 193 HB2 ALA 29 1HB ALA 29 5.326 1.148 -7.092 194 HB3 ALA 29 2HB ALA 29 5.722 -0.570 -7.169 195 H ILE 30 H ILE 30 5.255 0.836 -4.582 196 HA ILE 30 HA ILE 30 6.422 -1.254 -3.321 197 HB ILE 30 HB ILE 30 5.259 1.156 -1.919 198 HG12 ILE 30 1HG1 ILE 30 8.135 0.903 -2.676 199 HG13 ILE 30 2HG1 ILE 30 6.978 1.319 -3.936 200 HG21 ILE 30 1HG2 ILE 30 6.253 -1.063 -0.723 201 HG22 ILE 30 2HG2 ILE 30 7.714 -0.094 -0.903 202 HG23 ILE 30 3HG2 ILE 30 6.326 0.559 -0.033 203 HD11 ILE 30 3HD1 ILE 30 7.882 2.885 -1.592 204 HD12 ILE 30 1HD1 ILE 30 7.564 3.399 -3.249 205 HD13 ILE 30 2HD1 ILE 30 6.221 3.103 -2.143 206 H HIS 31 H HIS 31 3.108 -0.144 -2.860 207 HA HIS 31 HA HIS 31 2.543 -1.941 -0.708 208 HB2 HIS 31 1HB HIS 31 1.145 -0.080 -0.706 209 HB3 HIS 31 2HB HIS 31 0.901 -0.135 -2.449 210 HD1 HIS 31 HD1 HIS 31 -0.014 -2.242 0.587 211 HD2 HIS 31 HD2 HIS 31 -1.492 -1.180 -3.148 212 HE1 HIS 31 HE1 HIS 31 -2.298 -3.286 0.446 213 H GLN 32 H GLN 32 2.052 -1.982 -4.201 214 HA GLN 32 HA GLN 32 0.398 -4.181 -4.455 215 HB2 GLN 32 1HB GLN 32 2.685 -3.361 -6.254 216 HB3 GLN 32 2HB GLN 32 1.403 -4.482 -6.696 217 HG2 GLN 32 1HG GLN 32 0.958 -1.610 -5.918 218 HG3 GLN 32 2HG GLN 32 1.091 -2.191 -7.577 219 HE21 GLN 32 1HE2 GLN 32 -1.085 -1.100 -5.587 220 HE22 GLN 32 2HE2 GLN 32 -2.450 -2.085 -5.973 221 H ALA 33 H ALA 33 3.569 -4.066 -3.252 222 HA ALA 33 HA ALA 33 4.284 -6.779 -3.924 223 HB1 ALA 33 3HB ALA 33 5.890 -4.820 -3.559 224 HB2 ALA 33 1HB ALA 33 5.637 -5.102 -1.836 225 HB3 ALA 33 2HB ALA 33 6.320 -6.376 -2.848 226 H THR 34 H THR 34 1.949 -5.757 -2.028 227 HA THR 34 HA THR 34 2.510 -7.634 0.169 228 HB THR 34 HB THR 34 1.899 -5.135 0.603 229 HG1 THR 34 HG1 THR 34 1.050 -5.790 2.557 230 HG21 THR 34 3HG2 THR 34 -0.500 -4.731 0.823 231 HG22 THR 34 1HG2 THR 34 -0.841 -6.330 0.163 232 HG23 THR 34 2HG2 THR 34 -0.081 -5.102 -0.849 233 H HIS 35 H HIS 35 0.392 -6.916 -2.480 234 HA HIS 35 HA HIS 35 -1.678 -8.746 -1.662 235 HB2 HIS 35 1HB HIS 35 -1.169 -7.101 -4.124 236 HB3 HIS 35 2HB HIS 35 -2.422 -8.338 -4.116 237 HD1 HIS 35 HD1 HIS 35 -4.309 -7.999 -2.194 238 HD2 HIS 35 HD2 HIS 35 -1.941 -4.706 -3.094 239 HE1 HIS 35 HE1 HIS 35 -5.548 -6.011 -1.280 240 H SER 36 H SER 36 0.688 -10.097 -1.587 241 HA SER 36 HA SER 36 1.721 -11.401 -3.712 242 HB2 SER 36 1HB SER 36 1.003 -12.454 -0.982 243 HB3 SER 36 2HB SER 36 1.814 -13.471 -2.173 244 HG SER 36 HG SER 36 3.306 -11.507 -2.278 245 H GLY 37 H GLY 37 0.844 -12.366 -5.412 246 HA2 GLY 37 1HA GLY 37 -1.335 -14.271 -5.013 247 HA3 GLY 37 2HA GLY 37 -1.656 -12.912 -6.080 248 H GLU 38 H GLU 38 1.058 -15.179 -5.594 249 HA GLU 38 HA GLU 38 1.266 -15.430 -8.506 250 HB2 GLU 38 1HB GLU 38 3.256 -14.857 -6.956 251 HB3 GLU 38 2HB GLU 38 3.225 -16.562 -6.527 252 HG2 GLU 38 1HG GLU 38 3.830 -17.241 -8.662 253 HG3 GLU 38 2HG GLU 38 3.350 -15.709 -9.390 254 H LYS 39 H LYS 39 0.288 -17.144 -5.702 255 HA LYS 39 HA LYS 39 0.206 -19.669 -7.214 256 HB2 LYS 39 1HB LYS 39 0.317 -19.103 -4.257 257 HB3 LYS 39 2HB LYS 39 -0.165 -20.674 -4.884 258 HG2 LYS 39 1HG LYS 39 2.418 -19.418 -5.721 259 HG3 LYS 39 2HG LYS 39 2.286 -20.306 -4.201 260 HD2 LYS 39 1HD LYS 39 1.582 -22.295 -5.376 261 HD3 LYS 39 2HD LYS 39 1.547 -21.418 -6.908 262 HE2 LYS 39 1HE LYS 39 3.570 -22.653 -6.879 263 HE3 LYS 39 2HE LYS 39 4.003 -20.971 -6.577 264 HZ1 LYS 39 3HZ LYS 39 4.224 -23.277 -4.838 265 HZ2 LYS 39 1HZ LYS 39 3.656 -21.870 -4.089 266 HZ3 LYS 39 2HZ LYS 39 5.149 -21.862 -4.884 267 HA PRO 40 HA PRO 40 -4.181 -18.255 -7.021 268 HB2 PRO 40 1HB PRO 40 -4.810 -19.176 -9.496 269 HB3 PRO 40 2HB PRO 40 -4.087 -17.587 -9.217 270 HG2 PRO 40 1HG PRO 40 -2.779 -20.140 -10.074 271 HG3 PRO 40 2HG PRO 40 -2.524 -18.493 -10.681 272 HD2 PRO 40 1HD PRO 40 -0.839 -19.675 -8.922 273 HD3 PRO 40 2HD PRO 40 -1.142 -17.926 -8.925 274 H SER 41 H SER 41 -2.536 -21.156 -7.019 275 HA SER 41 HA SER 41 -4.853 -22.878 -7.291 276 HB2 SER 41 1HB SER 41 -2.005 -23.541 -6.503 277 HB3 SER 41 2HB SER 41 -3.269 -24.713 -6.873 278 HG SER 41 HG SER 41 -3.286 -24.007 -8.983 279 H GLY 42 H GLY 42 -6.163 -22.146 -5.573 280 HA2 GLY 42 1HA GLY 42 -5.869 -23.553 -3.156 281 HA3 GLY 42 2HA GLY 42 -5.340 -21.896 -2.901 282 HA PRO 43 HA PRO 43 -10.082 -21.898 -4.007 283 HB2 PRO 43 1HB PRO 43 -11.345 -24.241 -3.474 284 HB3 PRO 43 2HB PRO 43 -10.664 -23.856 -5.059 285 HG2 PRO 43 1HG PRO 43 -9.516 -25.532 -2.861 286 HG3 PRO 43 2HG PRO 43 -9.540 -25.841 -4.607 287 HD2 PRO 43 1HD PRO 43 -7.355 -24.882 -3.327 288 HD3 PRO 43 2HD PRO 43 -7.746 -24.451 -5.005 289 H SER 44 H SER 44 -10.021 -20.588 -2.152 290 HA SER 44 HA SER 44 -10.386 -21.844 0.451 291 HB2 SER 44 1HB SER 44 -10.115 -18.925 -0.309 292 HB3 SER 44 2HB SER 44 -10.181 -19.547 1.340 293 HG SER 44 HG SER 44 -8.093 -19.672 1.116 294 H SER 45 H SER 45 -12.509 -22.393 -1.162 295 HA SER 45 HA SER 45 -14.643 -20.652 -1.253 296 HB2 SER 45 1HB SER 45 -14.669 -23.644 -0.798 297 HB3 SER 45 2HB SER 45 -16.091 -22.691 -1.219 298 HG SER 45 HG SER 45 -14.685 -21.987 -3.078 299 H GLY 46 H GLY 46 -16.678 -20.751 0.061 300 HA2 GLY 46 1HA GLY 46 -16.443 -21.527 2.827 301 HA3 GLY 46 2HA GLY 46 -16.379 -19.788 2.584 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -24.212 4.487 -4.372 2 HA2 GLY 1 1HA GLY 1 -24.430 2.410 -5.398 3 HA3 GLY 1 2HA GLY 1 -26.120 2.380 -4.917 4 H SER 2 H SER 2 -27.349 4.352 -6.067 5 HA SER 2 HA SER 2 -27.058 3.789 -8.907 6 HB2 SER 2 1HB SER 2 -29.282 3.783 -7.590 7 HB3 SER 2 2HB SER 2 -29.185 5.541 -7.692 8 HG SER 2 HG SER 2 -29.765 5.428 -9.705 9 H SER 3 H SER 3 -27.479 6.707 -6.897 10 HA SER 3 HA SER 3 -27.118 8.687 -8.696 11 HB2 SER 3 1HB SER 3 -27.481 9.286 -6.421 12 HB3 SER 3 2HB SER 3 -26.009 8.468 -5.896 13 HG SER 3 HG SER 3 -26.065 10.718 -7.624 14 H GLY 4 H GLY 4 -25.377 9.847 -9.588 15 HA2 GLY 4 1HA GLY 4 -22.787 8.430 -9.548 16 HA3 GLY 4 2HA GLY 4 -23.504 8.983 -11.054 17 H SER 5 H SER 5 -23.354 10.645 -7.928 18 HA SER 5 HA SER 5 -22.481 13.067 -9.164 19 HB2 SER 5 1HB SER 5 -23.894 13.191 -7.205 20 HB3 SER 5 2HB SER 5 -22.726 12.275 -6.253 21 HG SER 5 HG SER 5 -22.705 14.644 -6.018 22 H SER 6 H SER 6 -20.481 13.375 -9.867 23 HA SER 6 HA SER 6 -18.254 12.070 -8.465 24 HB2 SER 6 1HB SER 6 -18.475 11.623 -10.895 25 HB3 SER 6 2HB SER 6 -18.291 13.348 -11.211 26 HG SER 6 HG SER 6 -16.396 11.471 -10.681 27 H GLY 7 H GLY 7 -18.122 13.572 -6.749 28 HA2 GLY 7 1HA GLY 7 -16.426 15.809 -7.305 29 HA3 GLY 7 2HA GLY 7 -18.050 16.315 -6.862 30 H THR 8 H THR 8 -15.799 13.803 -5.703 31 HA THR 8 HA THR 8 -15.672 15.073 -3.099 32 HB THR 8 HB THR 8 -16.306 12.892 -1.953 33 HG1 THR 8 HG1 THR 8 -17.832 12.322 -4.248 34 HG21 THR 8 3HG2 THR 8 -18.616 14.119 -3.434 35 HG22 THR 8 1HG2 THR 8 -17.739 15.004 -2.187 36 HG23 THR 8 2HG2 THR 8 -18.570 13.502 -1.783 37 H GLY 9 H GLY 9 -13.532 15.119 -2.825 38 HA2 GLY 9 1HA GLY 9 -11.402 14.333 -2.439 39 HA3 GLY 9 2HA GLY 9 -12.055 12.703 -2.505 40 H GLU 10 H GLU 10 -9.697 14.347 -3.763 41 HA GLU 10 HA GLU 10 -9.995 13.131 -6.427 42 HB2 GLU 10 1HB GLU 10 -8.955 15.866 -5.719 43 HB3 GLU 10 2HB GLU 10 -8.521 15.075 -7.228 44 HG2 GLU 10 1HG GLU 10 -11.378 15.469 -6.412 45 HG3 GLU 10 2HG GLU 10 -10.467 16.713 -7.265 46 H LYS 11 H LYS 11 -8.722 11.375 -6.156 47 HA LYS 11 HA LYS 11 -5.948 11.845 -5.274 48 HB2 LYS 11 1HB LYS 11 -5.916 9.448 -4.619 49 HB3 LYS 11 2HB LYS 11 -7.078 10.401 -3.706 50 HG2 LYS 11 1HG LYS 11 -8.737 9.566 -5.561 51 HG3 LYS 11 2HG LYS 11 -7.539 8.281 -5.739 52 HD2 LYS 11 1HD LYS 11 -8.941 7.373 -4.153 53 HD3 LYS 11 2HD LYS 11 -7.729 8.150 -3.132 54 HE2 LYS 11 1HE LYS 11 -9.296 10.182 -3.165 55 HE3 LYS 11 2HE LYS 11 -10.516 9.064 -3.774 56 HZ1 LYS 11 3HZ LYS 11 -10.916 8.600 -1.652 57 HZ2 LYS 11 1HZ LYS 11 -9.518 9.388 -1.116 58 HZ3 LYS 11 2HZ LYS 11 -9.438 7.777 -1.624 59 HA PRO 12 HA PRO 12 -4.622 10.635 -9.294 60 HB2 PRO 12 1HB PRO 12 -2.094 9.847 -8.695 61 HB3 PRO 12 2HB PRO 12 -2.588 11.543 -8.732 62 HG2 PRO 12 1HG PRO 12 -2.271 9.714 -6.384 63 HG3 PRO 12 2HG PRO 12 -1.771 11.407 -6.559 64 HD2 PRO 12 1HD PRO 12 -4.022 10.681 -5.240 65 HD3 PRO 12 2HD PRO 12 -3.891 12.208 -6.137 66 H TYR 13 H TYR 13 -3.611 8.385 -6.711 67 HA TYR 13 HA TYR 13 -4.347 6.159 -8.497 68 HB2 TYR 13 1HB TYR 13 -2.185 6.188 -6.381 69 HB3 TYR 13 2HB TYR 13 -2.610 4.817 -7.399 70 HD1 TYR 13 HD2 TYR 13 -2.468 5.263 -9.987 71 HD2 TYR 13 HD1 TYR 13 -0.450 7.573 -7.039 72 HE1 TYR 13 HE2 TYR 13 -0.863 6.021 -11.689 73 HE2 TYR 13 HE1 TYR 13 1.160 8.339 -8.732 74 HH TYR 13 HH TYR 13 1.189 7.009 -11.974 75 H LYS 14 H LYS 14 -4.851 4.113 -7.261 76 HA LYS 14 HA LYS 14 -5.734 4.283 -4.563 77 HB2 LYS 14 1HB LYS 14 -7.551 5.577 -5.474 78 HB3 LYS 14 2HB LYS 14 -7.824 4.389 -6.742 79 HG2 LYS 14 1HG LYS 14 -8.639 2.791 -5.172 80 HG3 LYS 14 2HG LYS 14 -8.159 3.805 -3.809 81 HD2 LYS 14 1HD LYS 14 -9.741 5.558 -4.902 82 HD3 LYS 14 2HD LYS 14 -10.424 4.159 -5.734 83 HE2 LYS 14 1HE LYS 14 -10.723 3.084 -3.493 84 HE3 LYS 14 2HE LYS 14 -10.236 4.612 -2.760 85 HZ1 LYS 14 3HZ LYS 14 -12.233 5.493 -3.128 86 HZ2 LYS 14 1HZ LYS 14 -12.771 3.917 -3.426 87 HZ3 LYS 14 2HZ LYS 14 -12.314 4.912 -4.715 88 H CYS 15 H CYS 15 -5.564 2.299 -3.761 89 HA CYS 15 HA CYS 15 -5.095 0.052 -5.444 90 HB2 CYS 15 1HB CYS 15 -4.132 0.451 -3.122 91 HB3 CYS 15 2HB CYS 15 -5.700 -0.039 -2.489 92 H ASN 16 H ASN 16 -6.330 -1.853 -5.650 93 HA ASN 16 HA ASN 16 -9.215 -1.416 -5.293 94 HB2 ASN 16 1HB ASN 16 -8.096 -3.571 -7.048 95 HB3 ASN 16 2HB ASN 16 -9.611 -2.685 -7.198 96 HD21 ASN 16 1HD2 ASN 16 -6.116 -2.384 -7.490 97 HD22 ASN 16 2HD2 ASN 16 -6.141 -1.131 -8.680 98 H GLU 17 H GLU 17 -6.634 -3.101 -4.006 99 HA GLU 17 HA GLU 17 -8.114 -5.490 -3.292 100 HB2 GLU 17 1HB GLU 17 -5.349 -4.554 -2.504 101 HB3 GLU 17 2HB GLU 17 -6.041 -6.114 -2.081 102 HG2 GLU 17 1HG GLU 17 -5.911 -5.321 -4.947 103 HG3 GLU 17 2HG GLU 17 -4.443 -5.861 -4.133 104 H CYS 18 H CYS 18 -6.787 -2.631 -1.670 105 HA CYS 18 HA CYS 18 -8.484 -3.265 0.655 106 HB2 CYS 18 1HB CYS 18 -6.840 -2.001 2.025 107 HB3 CYS 18 2HB CYS 18 -6.150 -3.438 1.277 108 H GLY 19 H GLY 19 -7.032 -0.618 -1.222 109 HA2 GLY 19 1HA GLY 19 -8.635 1.085 -2.036 110 HA3 GLY 19 2HA GLY 19 -9.335 1.055 -0.424 111 H LYS 20 H LYS 20 -5.892 0.877 -0.832 112 HA LYS 20 HA LYS 20 -5.589 3.368 0.614 113 HB2 LYS 20 1HB LYS 20 -4.238 1.128 0.877 114 HB3 LYS 20 2HB LYS 20 -3.277 1.786 -0.440 115 HG2 LYS 20 1HG LYS 20 -3.804 3.225 2.150 116 HG3 LYS 20 2HG LYS 20 -2.368 2.254 1.821 117 HD2 LYS 20 1HD LYS 20 -1.713 3.717 0.036 118 HD3 LYS 20 2HD LYS 20 -3.233 4.608 0.146 119 HE2 LYS 20 1HE LYS 20 -1.312 4.418 2.450 120 HE3 LYS 20 2HE LYS 20 -1.174 5.668 1.215 121 HZ1 LYS 20 3HZ LYS 20 -2.919 5.551 3.440 122 HZ2 LYS 20 1HZ LYS 20 -3.819 5.662 2.011 123 HZ3 LYS 20 2HZ LYS 20 -2.648 6.830 2.366 124 H ALA 21 H ALA 21 -5.426 5.260 -0.374 125 HA ALA 21 HA ALA 21 -4.636 5.350 -3.190 126 HB1 ALA 21 3HB ALA 21 -6.003 7.344 -1.400 127 HB2 ALA 21 1HB ALA 21 -5.449 7.733 -3.029 128 HB3 ALA 21 2HB ALA 21 -6.673 6.486 -2.788 129 H PHE 22 H PHE 22 -2.720 6.094 -3.835 130 HA PHE 22 HA PHE 22 -0.982 7.355 -1.826 131 HB2 PHE 22 1HB PHE 22 -0.131 6.039 -4.409 132 HB3 PHE 22 2HB PHE 22 0.902 6.531 -3.071 133 HD1 PHE 22 HD2 PHE 22 -1.774 4.167 -4.045 134 HD2 PHE 22 HD1 PHE 22 1.334 5.081 -1.285 135 HE1 PHE 22 HE2 PHE 22 -1.998 1.925 -3.056 136 HE2 PHE 22 HE1 PHE 22 1.116 2.841 -0.292 137 HZ PHE 22 HZ PHE 22 -0.552 1.260 -1.177 138 H ARG 23 H ARG 23 0.886 8.597 -3.227 139 HA ARG 23 HA ARG 23 -0.607 10.639 -4.728 140 HB2 ARG 23 1HB ARG 23 0.515 11.374 -2.631 141 HB3 ARG 23 2HB ARG 23 2.060 10.909 -3.331 142 HG2 ARG 23 1HG ARG 23 2.066 13.139 -3.790 143 HG3 ARG 23 2HG ARG 23 1.300 12.529 -5.258 144 HD2 ARG 23 1HD ARG 23 -0.868 13.108 -4.459 145 HD3 ARG 23 2HD ARG 23 -0.245 13.462 -2.848 146 HE ARG 23 HE ARG 23 1.038 15.132 -4.698 147 HH11 ARG 23 1HH1 ARG 23 -2.106 14.626 -3.290 148 HH12 ARG 23 2HH1 ARG 23 -2.588 16.282 -3.449 149 HH21 ARG 23 1HH2 ARG 23 0.415 17.316 -4.913 150 HH22 ARG 23 2HH2 ARG 23 -1.154 17.811 -4.373 151 H ALA 24 H ALA 24 2.122 8.470 -4.818 152 HA ALA 24 HA ALA 24 2.570 9.234 -7.628 153 HB1 ALA 24 3HB ALA 24 4.394 9.984 -6.054 154 HB2 ALA 24 1HB ALA 24 4.753 8.277 -5.793 155 HB3 ALA 24 2HB ALA 24 4.912 8.976 -7.405 156 H ARG 25 H ARG 25 3.489 7.505 -8.964 157 HA ARG 25 HA ARG 25 2.047 5.113 -8.732 158 HB2 ARG 25 1HB ARG 25 3.156 6.204 -10.806 159 HB3 ARG 25 2HB ARG 25 4.593 5.319 -10.312 160 HG2 ARG 25 1HG ARG 25 3.622 3.892 -11.839 161 HG3 ARG 25 2HG ARG 25 3.031 3.260 -10.301 162 HD2 ARG 25 1HD ARG 25 1.115 3.314 -11.608 163 HD3 ARG 25 2HD ARG 25 1.013 4.820 -10.698 164 HE ARG 25 HE ARG 25 2.248 5.623 -12.928 165 HH11 ARG 25 1HH1 ARG 25 -0.570 3.636 -12.447 166 HH12 ARG 25 2HH1 ARG 25 -1.325 4.121 -13.929 167 HH21 ARG 25 1HH2 ARG 25 1.264 6.269 -14.881 168 HH22 ARG 25 2HH2 ARG 25 -0.280 5.618 -15.313 169 H SER 26 H SER 26 5.545 5.667 -8.307 170 HA SER 26 HA SER 26 6.360 3.166 -7.578 171 HB2 SER 26 1HB SER 26 7.665 5.444 -7.736 172 HB3 SER 26 2HB SER 26 7.388 5.494 -5.995 173 HG SER 26 HG SER 26 8.484 3.553 -5.792 174 H SER 27 H SER 27 4.705 5.541 -5.571 175 HA SER 27 HA SER 27 4.970 4.172 -3.115 176 HB2 SER 27 1HB SER 27 3.079 6.285 -4.123 177 HB3 SER 27 2HB SER 27 2.875 5.575 -2.521 178 HG SER 27 HG SER 27 4.208 7.192 -2.085 179 H LEU 28 H LEU 28 2.592 4.014 -5.703 180 HA LEU 28 HA LEU 28 0.786 2.312 -4.275 181 HB2 LEU 28 1HB LEU 28 -0.097 3.692 -6.005 182 HB3 LEU 28 2HB LEU 28 1.046 3.048 -7.182 183 HG LEU 28 HG LEU 28 -0.174 0.791 -6.729 184 HD11 LEU 28 1HD1 LEU 28 -2.680 1.423 -6.369 185 HD12 LEU 28 2HD1 LEU 28 -2.004 2.815 -5.524 186 HD13 LEU 28 3HD1 LEU 28 -1.616 1.182 -4.983 187 HD21 LEU 28 3HD2 LEU 28 -2.045 2.431 -8.221 188 HD22 LEU 28 1HD2 LEU 28 -1.003 1.119 -8.770 189 HD23 LEU 28 2HD2 LEU 28 -0.368 2.761 -8.659 190 H ALA 29 H ALA 29 3.371 1.831 -6.627 191 HA ALA 29 HA ALA 29 2.959 -0.885 -7.160 192 HB1 ALA 29 3HB ALA 29 5.724 -0.473 -7.237 193 HB2 ALA 29 1HB ALA 29 4.586 -0.376 -8.581 194 HB3 ALA 29 2HB ALA 29 4.999 1.076 -7.668 195 H ILE 30 H ILE 30 5.458 0.480 -5.005 196 HA ILE 30 HA ILE 30 6.423 -1.725 -3.809 197 HB ILE 30 HB ILE 30 5.662 0.805 -2.345 198 HG12 ILE 30 1HG1 ILE 30 8.421 0.144 -3.301 199 HG13 ILE 30 2HG1 ILE 30 7.249 0.788 -4.446 200 HG21 ILE 30 1HG2 ILE 30 6.411 -1.519 -1.181 201 HG22 ILE 30 2HG2 ILE 30 7.982 -0.768 -1.460 202 HG23 ILE 30 3HG2 ILE 30 6.755 0.078 -0.517 203 HD11 ILE 30 3HD1 ILE 30 8.176 2.730 -3.761 204 HD12 ILE 30 1HD1 ILE 30 6.937 2.581 -2.516 205 HD13 ILE 30 2HD1 ILE 30 8.598 2.099 -2.169 206 H HIS 31 H HIS 31 3.319 -0.214 -3.073 207 HA HIS 31 HA HIS 31 2.703 -1.987 -0.913 208 HB2 HIS 31 1HB HIS 31 1.628 0.114 -0.824 209 HB3 HIS 31 2HB HIS 31 1.094 0.005 -2.499 210 HD1 HIS 31 HD1 HIS 31 0.523 -2.086 0.641 211 HD2 HIS 31 HD2 HIS 31 -1.545 -0.508 -2.598 212 HE1 HIS 31 HE1 HIS 31 -1.872 -2.780 0.970 213 H GLN 32 H GLN 32 1.578 -1.708 -4.278 214 HA GLN 32 HA GLN 32 -0.228 -3.770 -4.367 215 HB2 GLN 32 1HB GLN 32 1.742 -2.850 -6.459 216 HB3 GLN 32 2HB GLN 32 0.481 -4.031 -6.786 217 HG2 GLN 32 1HG GLN 32 -0.204 -1.364 -5.627 218 HG3 GLN 32 2HG GLN 32 0.073 -1.551 -7.358 219 HE21 GLN 32 1HE2 GLN 32 -2.324 -0.685 -6.668 220 HE22 GLN 32 2HE2 GLN 32 -3.523 -1.919 -6.828 221 H ALA 33 H ALA 33 3.146 -3.976 -3.864 222 HA ALA 33 HA ALA 33 3.436 -6.700 -4.759 223 HB1 ALA 33 3HB ALA 33 5.679 -6.496 -3.602 224 HB2 ALA 33 1HB ALA 33 5.381 -5.376 -4.932 225 HB3 ALA 33 2HB ALA 33 5.245 -4.821 -3.263 226 H THR 34 H THR 34 1.569 -5.717 -2.465 227 HA THR 34 HA THR 34 2.444 -7.708 -0.474 228 HB THR 34 HB THR 34 1.143 -6.490 1.198 229 HG1 THR 34 HG1 THR 34 0.164 -4.512 0.634 230 HG21 THR 34 3HG2 THR 34 3.562 -5.835 0.450 231 HG22 THR 34 1HG2 THR 34 2.677 -4.801 1.571 232 HG23 THR 34 2HG2 THR 34 2.775 -4.370 -0.136 233 H HIS 35 H HIS 35 -0.107 -6.659 -2.576 234 HA HIS 35 HA HIS 35 -2.048 -8.489 -1.423 235 HB2 HIS 35 1HB HIS 35 -2.166 -6.563 -3.744 236 HB3 HIS 35 2HB HIS 35 -3.490 -7.649 -3.334 237 HD1 HIS 35 HD1 HIS 35 -4.391 -7.322 -0.756 238 HD2 HIS 35 HD2 HIS 35 -2.278 -4.179 -2.464 239 HE1 HIS 35 HE1 HIS 35 -4.956 -5.301 0.629 240 H SER 36 H SER 36 -0.890 -7.976 -4.758 241 HA SER 36 HA SER 36 -1.493 -10.721 -5.428 242 HB2 SER 36 1HB SER 36 -0.848 -10.110 -7.694 243 HB3 SER 36 2HB SER 36 -1.907 -8.866 -7.030 244 HG SER 36 HG SER 36 0.360 -7.975 -6.375 245 H GLY 37 H GLY 37 0.092 -12.145 -6.448 246 HA2 GLY 37 1HA GLY 37 2.522 -12.473 -6.890 247 HA3 GLY 37 2HA GLY 37 2.793 -11.739 -5.317 248 H GLU 38 H GLU 38 4.016 -13.985 -5.455 249 HA GLU 38 HA GLU 38 2.644 -16.385 -5.121 250 HB2 GLU 38 1HB GLU 38 5.201 -15.866 -5.364 251 HB3 GLU 38 2HB GLU 38 5.172 -15.852 -3.606 252 HG2 GLU 38 1HG GLU 38 3.950 -18.150 -3.925 253 HG3 GLU 38 2HG GLU 38 4.754 -18.110 -5.493 254 H LYS 39 H LYS 39 1.242 -16.987 -3.623 255 HA LYS 39 HA LYS 39 1.480 -15.834 -0.921 256 HB2 LYS 39 1HB LYS 39 -0.554 -15.131 -2.152 257 HB3 LYS 39 2HB LYS 39 -1.024 -16.819 -2.301 258 HG2 LYS 39 1HG LYS 39 -1.153 -16.987 0.142 259 HG3 LYS 39 2HG LYS 39 -0.721 -15.280 0.270 260 HD2 LYS 39 1HD LYS 39 -3.034 -16.033 -1.446 261 HD3 LYS 39 2HD LYS 39 -3.241 -16.075 0.306 262 HE2 LYS 39 1HE LYS 39 -3.858 -13.912 -0.147 263 HE3 LYS 39 2HE LYS 39 -2.139 -13.700 0.180 264 HZ1 LYS 39 3HZ LYS 39 -3.580 -13.167 -2.202 265 HZ2 LYS 39 1HZ LYS 39 -2.333 -14.267 -2.512 266 HZ3 LYS 39 2HZ LYS 39 -1.984 -12.769 -1.810 267 HA PRO 40 HA PRO 40 2.146 -20.449 -0.686 268 HB2 PRO 40 1HB PRO 40 4.398 -20.301 0.824 269 HB3 PRO 40 2HB PRO 40 4.421 -20.249 -0.943 270 HG2 PRO 40 1HG PRO 40 4.577 -17.995 1.021 271 HG3 PRO 40 2HG PRO 40 5.511 -18.252 -0.464 272 HD2 PRO 40 1HD PRO 40 3.399 -16.561 -0.346 273 HD3 PRO 40 2HD PRO 40 3.818 -17.465 -1.816 274 H SER 41 H SER 41 1.074 -21.502 0.857 275 HA SER 41 HA SER 41 -0.198 -20.438 3.003 276 HB2 SER 41 1HB SER 41 -0.717 -22.676 2.351 277 HB3 SER 41 2HB SER 41 0.930 -23.221 2.670 278 HG SER 41 HG SER 41 -1.177 -22.858 4.402 279 H GLY 42 H GLY 42 0.452 -19.414 4.769 280 HA2 GLY 42 1HA GLY 42 2.496 -20.438 6.475 281 HA3 GLY 42 2HA GLY 42 3.064 -19.039 5.576 282 HA PRO 43 HA PRO 43 -0.563 -17.656 8.512 283 HB2 PRO 43 1HB PRO 43 -0.969 -19.297 10.637 284 HB3 PRO 43 2HB PRO 43 -1.850 -19.462 9.113 285 HG2 PRO 43 1HG PRO 43 0.525 -20.991 10.103 286 HG3 PRO 43 2HG PRO 43 -0.928 -21.590 9.281 287 HD2 PRO 43 1HD PRO 43 1.422 -21.203 7.991 288 HD3 PRO 43 2HD PRO 43 -0.151 -20.983 7.197 289 H SER 44 H SER 44 2.565 -18.583 8.987 290 HA SER 44 HA SER 44 3.387 -18.275 11.505 291 HB2 SER 44 1HB SER 44 5.428 -17.374 10.724 292 HB3 SER 44 2HB SER 44 4.801 -18.304 9.363 293 HG SER 44 HG SER 44 5.250 -15.619 9.584 294 H SER 45 H SER 45 3.786 -16.641 13.000 295 HA SER 45 HA SER 45 2.941 -13.929 12.445 296 HB2 SER 45 1HB SER 45 1.496 -15.609 14.509 297 HB3 SER 45 2HB SER 45 1.303 -13.869 14.303 298 HG SER 45 HG SER 45 0.852 -14.663 11.965 299 H GLY 46 H GLY 46 4.662 -12.864 13.181 300 HA2 GLY 46 1HA GLY 46 5.434 -12.059 15.487 301 HA3 GLY 46 2HA GLY 46 5.879 -13.743 15.718 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -30.396 18.016 -5.308 2 HA2 GLY 1 1HA GLY 1 -28.766 19.845 -3.945 3 HA3 GLY 1 2HA GLY 1 -28.999 18.162 -3.494 4 H SER 2 H SER 2 -26.962 20.440 -5.141 5 HA SER 2 HA SER 2 -24.901 18.347 -5.380 6 HB2 SER 2 1HB SER 2 -25.352 20.692 -7.243 7 HB3 SER 2 2HB SER 2 -24.024 19.537 -7.358 8 HG SER 2 HG SER 2 -25.969 19.158 -8.707 9 H SER 3 H SER 3 -23.434 18.701 -3.855 10 HA SER 3 HA SER 3 -23.035 20.931 -2.331 11 HB2 SER 3 1HB SER 3 -21.922 18.530 -2.285 12 HB3 SER 3 2HB SER 3 -20.612 19.366 -3.119 13 HG SER 3 HG SER 3 -21.666 20.590 -0.851 14 H GLY 4 H GLY 4 -21.071 20.071 -5.188 15 HA2 GLY 4 1HA GLY 4 -20.952 22.165 -6.723 16 HA3 GLY 4 2HA GLY 4 -20.161 22.862 -5.317 17 H SER 5 H SER 5 -19.932 19.750 -7.046 18 HA SER 5 HA SER 5 -18.081 18.486 -7.541 19 HB2 SER 5 1HB SER 5 -17.593 21.194 -8.742 20 HB3 SER 5 2HB SER 5 -16.388 19.919 -8.924 21 HG SER 5 HG SER 5 -18.338 18.634 -9.647 22 H SER 6 H SER 6 -17.979 19.298 -4.892 23 HA SER 6 HA SER 6 -15.818 20.656 -3.935 24 HB2 SER 6 1HB SER 6 -15.859 19.096 -1.987 25 HB3 SER 6 2HB SER 6 -17.460 19.681 -2.439 26 HG SER 6 HG SER 6 -16.340 17.130 -2.735 27 H GLY 7 H GLY 7 -13.771 19.800 -2.979 28 HA2 GLY 7 1HA GLY 7 -12.630 17.548 -4.474 29 HA3 GLY 7 2HA GLY 7 -11.841 19.113 -4.598 30 H THR 8 H THR 8 -10.701 19.936 -2.840 31 HA THR 8 HA THR 8 -9.113 19.586 -1.203 32 HB THR 8 HB THR 8 -10.213 19.071 1.028 33 HG1 THR 8 HG1 THR 8 -12.210 18.378 1.009 34 HG21 THR 8 3HG2 THR 8 -11.909 21.203 0.042 35 HG22 THR 8 1HG2 THR 8 -10.258 21.359 -0.556 36 HG23 THR 8 2HG2 THR 8 -10.562 21.273 1.179 37 H GLY 9 H GLY 9 -9.100 17.380 -2.876 38 HA2 GLY 9 1HA GLY 9 -7.829 15.446 -1.293 39 HA3 GLY 9 2HA GLY 9 -9.472 14.902 -1.595 40 H GLU 10 H GLU 10 -6.317 15.058 -2.796 41 HA GLU 10 HA GLU 10 -7.178 14.440 -5.532 42 HB2 GLU 10 1HB GLU 10 -4.477 15.178 -4.399 43 HB3 GLU 10 2HB GLU 10 -4.734 14.693 -6.070 44 HG2 GLU 10 1HG GLU 10 -4.613 17.118 -5.825 45 HG3 GLU 10 2HG GLU 10 -6.182 16.595 -6.435 46 H LYS 11 H LYS 11 -7.304 12.392 -6.131 47 HA LYS 11 HA LYS 11 -5.459 10.440 -4.937 48 HB2 LYS 11 1HB LYS 11 -7.532 8.833 -5.206 49 HB3 LYS 11 2HB LYS 11 -7.329 9.812 -3.759 50 HG2 LYS 11 1HG LYS 11 -9.012 11.282 -4.358 51 HG3 LYS 11 2HG LYS 11 -8.922 10.846 -6.066 52 HD2 LYS 11 1HD LYS 11 -9.794 8.587 -5.460 53 HD3 LYS 11 2HD LYS 11 -10.028 9.175 -3.811 54 HE2 LYS 11 1HE LYS 11 -12.118 9.513 -4.711 55 HE3 LYS 11 2HE LYS 11 -11.365 11.082 -4.992 56 HZ1 LYS 11 3HZ LYS 11 -12.616 9.796 -6.893 57 HZ2 LYS 11 1HZ LYS 11 -11.109 9.051 -7.081 58 HZ3 LYS 11 2HZ LYS 11 -11.245 10.731 -7.220 59 HA PRO 12 HA PRO 12 -5.312 10.210 -9.542 60 HB2 PRO 12 1HB PRO 12 -2.628 9.820 -9.650 61 HB3 PRO 12 2HB PRO 12 -3.362 11.425 -9.564 62 HG2 PRO 12 1HG PRO 12 -2.155 9.775 -7.377 63 HG3 PRO 12 2HG PRO 12 -1.981 11.511 -7.695 64 HD2 PRO 12 1HD PRO 12 -3.658 10.537 -5.806 65 HD3 PRO 12 2HD PRO 12 -4.004 12.021 -6.717 66 H TYR 13 H TYR 13 -3.819 8.204 -7.047 67 HA TYR 13 HA TYR 13 -4.368 5.843 -8.720 68 HB2 TYR 13 1HB TYR 13 -1.965 6.349 -6.959 69 HB3 TYR 13 2HB TYR 13 -2.364 4.777 -7.643 70 HD1 TYR 13 HD2 TYR 13 -2.603 4.678 -10.229 71 HD2 TYR 13 HD1 TYR 13 -0.614 7.816 -8.154 72 HE1 TYR 13 HE2 TYR 13 -1.385 5.258 -12.286 73 HE2 TYR 13 HE1 TYR 13 0.608 8.405 -10.205 74 HH TYR 13 HH TYR 13 1.170 6.671 -12.574 75 H LYS 14 H LYS 14 -5.072 3.986 -7.653 76 HA LYS 14 HA LYS 14 -5.432 4.035 -4.776 77 HB2 LYS 14 1HB LYS 14 -7.412 5.240 -5.628 78 HB3 LYS 14 2HB LYS 14 -7.810 3.855 -6.637 79 HG2 LYS 14 1HG LYS 14 -8.338 2.518 -4.776 80 HG3 LYS 14 2HG LYS 14 -7.582 3.648 -3.651 81 HD2 LYS 14 1HD LYS 14 -9.373 5.307 -4.648 82 HD3 LYS 14 2HD LYS 14 -10.221 3.806 -5.025 83 HE2 LYS 14 1HE LYS 14 -9.116 4.258 -2.283 84 HE3 LYS 14 2HE LYS 14 -10.643 5.004 -2.751 85 HZ1 LYS 14 3HZ LYS 14 -10.597 2.655 -1.661 86 HZ2 LYS 14 1HZ LYS 14 -10.263 2.136 -3.236 87 HZ3 LYS 14 2HZ LYS 14 -11.685 2.992 -2.911 88 H CYS 15 H CYS 15 -6.007 1.987 -3.895 89 HA CYS 15 HA CYS 15 -5.211 -0.227 -5.622 90 HB2 CYS 15 1HB CYS 15 -4.181 0.152 -3.341 91 HB3 CYS 15 2HB CYS 15 -5.735 -0.303 -2.648 92 H ASN 16 H ASN 16 -6.504 -1.910 -6.170 93 HA ASN 16 HA ASN 16 -9.355 -1.588 -5.636 94 HB2 ASN 16 1HB ASN 16 -9.400 -3.586 -7.345 95 HB3 ASN 16 2HB ASN 16 -9.095 -1.945 -7.907 96 HD21 ASN 16 1HD2 ASN 16 -8.127 -5.027 -8.224 97 HD22 ASN 16 2HD2 ASN 16 -6.488 -4.785 -8.712 98 H GLU 17 H GLU 17 -6.879 -3.079 -4.141 99 HA GLU 17 HA GLU 17 -8.255 -5.578 -3.547 100 HB2 GLU 17 1HB GLU 17 -5.544 -4.485 -2.810 101 HB3 GLU 17 2HB GLU 17 -6.184 -5.962 -2.102 102 HG2 GLU 17 1HG GLU 17 -4.682 -6.410 -3.975 103 HG3 GLU 17 2HG GLU 17 -6.316 -6.995 -4.281 104 H CYS 18 H CYS 18 -6.791 -2.942 -1.636 105 HA CYS 18 HA CYS 18 -8.712 -3.540 0.508 106 HB2 CYS 18 1HB CYS 18 -7.113 -2.138 1.911 107 HB3 CYS 18 2HB CYS 18 -6.508 -3.698 1.360 108 H GLY 19 H GLY 19 -7.182 -0.811 -1.191 109 HA2 GLY 19 1HA GLY 19 -8.773 0.886 -2.062 110 HA3 GLY 19 2HA GLY 19 -9.559 0.803 -0.492 111 H LYS 20 H LYS 20 -6.099 0.931 -1.250 112 HA LYS 20 HA LYS 20 -5.858 3.233 0.535 113 HB2 LYS 20 1HB LYS 20 -4.368 1.284 0.871 114 HB3 LYS 20 2HB LYS 20 -3.702 1.535 -0.737 115 HG2 LYS 20 1HG LYS 20 -2.181 2.453 0.846 116 HG3 LYS 20 2HG LYS 20 -2.955 3.794 -0.003 117 HD2 LYS 20 1HD LYS 20 -4.229 4.391 1.840 118 HD3 LYS 20 2HD LYS 20 -4.092 2.794 2.578 119 HE2 LYS 20 1HE LYS 20 -1.663 3.251 2.930 120 HE3 LYS 20 2HE LYS 20 -1.942 4.896 2.360 121 HZ1 LYS 20 3HZ LYS 20 -3.719 4.948 4.191 122 HZ2 LYS 20 1HZ LYS 20 -2.094 5.084 4.645 123 HZ3 LYS 20 2HZ LYS 20 -2.903 3.611 4.833 124 H ALA 21 H ALA 21 -5.884 5.203 -0.302 125 HA ALA 21 HA ALA 21 -5.330 5.605 -3.129 126 HB1 ALA 21 3HB ALA 21 -7.003 7.045 -2.853 127 HB2 ALA 21 1HB ALA 21 -6.876 6.961 -1.096 128 HB3 ALA 21 2HB ALA 21 -5.861 8.085 -2.001 129 H PHE 22 H PHE 22 -3.377 6.121 -3.839 130 HA PHE 22 HA PHE 22 -1.451 7.304 -1.964 131 HB2 PHE 22 1HB PHE 22 -0.841 6.043 -4.639 132 HB3 PHE 22 2HB PHE 22 0.293 6.424 -3.347 133 HD1 PHE 22 HD2 PHE 22 -2.699 4.331 -4.066 134 HD2 PHE 22 HD1 PHE 22 0.901 4.783 -1.841 135 HE1 PHE 22 HE2 PHE 22 -2.978 2.061 -3.160 136 HE2 PHE 22 HE1 PHE 22 0.629 2.513 -0.932 137 HZ PHE 22 HZ PHE 22 -1.313 1.149 -1.590 138 H ARG 23 H ARG 23 0.302 8.624 -3.294 139 HA ARG 23 HA ARG 23 -1.125 10.484 -5.075 140 HB2 ARG 23 1HB ARG 23 -0.573 11.203 -2.588 141 HB3 ARG 23 2HB ARG 23 1.021 11.501 -3.267 142 HG2 ARG 23 1HG ARG 23 0.311 13.256 -4.534 143 HG3 ARG 23 2HG ARG 23 -1.330 12.623 -4.688 144 HD2 ARG 23 1HD ARG 23 -1.771 13.200 -2.353 145 HD3 ARG 23 2HD ARG 23 -0.129 13.821 -2.194 146 HE ARG 23 HE ARG 23 -1.355 15.152 -4.319 147 HH11 ARG 23 1HH1 ARG 23 -1.650 14.869 -0.862 148 HH12 ARG 23 2HH1 ARG 23 -2.291 16.466 -0.655 149 HH21 ARG 23 1HH2 ARG 23 -2.198 17.256 -4.060 150 HH22 ARG 23 2HH2 ARG 23 -2.603 17.822 -2.475 151 H ALA 24 H ALA 24 1.238 8.273 -4.924 152 HA ALA 24 HA ALA 24 2.778 9.595 -7.048 153 HB1 ALA 24 3HB ALA 24 3.759 8.826 -4.462 154 HB2 ALA 24 1HB ALA 24 4.585 7.914 -5.725 155 HB3 ALA 24 2HB ALA 24 4.587 9.677 -5.766 156 H ARG 25 H ARG 25 3.311 8.321 -8.757 157 HA ARG 25 HA ARG 25 1.870 5.994 -9.267 158 HB2 ARG 25 1HB ARG 25 3.419 5.682 -11.187 159 HB3 ARG 25 2HB ARG 25 2.766 7.311 -11.076 160 HG2 ARG 25 1HG ARG 25 4.925 7.905 -9.850 161 HG3 ARG 25 2HG ARG 25 5.537 6.362 -10.449 162 HD2 ARG 25 1HD ARG 25 5.268 7.035 -12.710 163 HD3 ARG 25 2HD ARG 25 4.337 8.458 -12.243 164 HE ARG 25 HE ARG 25 6.844 8.662 -11.050 165 HH11 ARG 25 1HH1 ARG 25 5.462 8.624 -14.244 166 HH12 ARG 25 2HH1 ARG 25 6.702 9.617 -14.935 167 HH21 ARG 25 1HH2 ARG 25 8.483 9.971 -11.947 168 HH22 ARG 25 2HH2 ARG 25 8.421 10.382 -13.628 169 H SER 26 H SER 26 5.206 6.398 -8.148 170 HA SER 26 HA SER 26 5.694 3.562 -8.070 171 HB2 SER 26 1HB SER 26 7.621 4.856 -8.494 172 HB3 SER 26 2HB SER 26 7.258 5.981 -7.185 173 HG SER 26 HG SER 26 8.260 3.350 -7.038 174 H SER 27 H SER 27 3.885 5.543 -6.181 175 HA SER 27 HA SER 27 4.628 4.495 -3.595 176 HB2 SER 27 1HB SER 27 3.655 6.821 -4.049 177 HB3 SER 27 2HB SER 27 2.099 6.012 -4.236 178 HG SER 27 HG SER 27 2.432 6.740 -2.094 179 H LEU 28 H LEU 28 2.175 3.902 -6.031 180 HA LEU 28 HA LEU 28 0.611 2.145 -4.395 181 HB2 LEU 28 1HB LEU 28 -0.540 3.237 -6.134 182 HB3 LEU 28 2HB LEU 28 0.665 2.768 -7.332 183 HG LEU 28 HG LEU 28 -0.186 0.339 -6.701 184 HD11 LEU 28 1HD1 LEU 28 -2.196 0.159 -5.726 185 HD12 LEU 28 2HD1 LEU 28 -2.837 1.580 -6.549 186 HD13 LEU 28 3HD1 LEU 28 -1.850 1.771 -5.100 187 HD21 LEU 28 3HD2 LEU 28 -0.981 0.361 -8.789 188 HD22 LEU 28 1HD2 LEU 28 -0.481 2.052 -8.823 189 HD23 LEU 28 2HD2 LEU 28 -2.148 1.634 -8.428 190 H ALA 29 H ALA 29 3.240 1.785 -6.685 191 HA ALA 29 HA ALA 29 3.087 -0.967 -7.148 192 HB1 ALA 29 3HB ALA 29 4.789 -0.450 -8.470 193 HB2 ALA 29 1HB ALA 29 4.909 1.138 -7.712 194 HB3 ALA 29 2HB ALA 29 5.821 -0.223 -7.058 195 H ILE 30 H ILE 30 5.233 0.719 -4.843 196 HA ILE 30 HA ILE 30 6.336 -1.419 -3.560 197 HB ILE 30 HB ILE 30 5.396 1.130 -2.239 198 HG12 ILE 30 1HG1 ILE 30 8.153 0.468 -3.277 199 HG13 ILE 30 2HG1 ILE 30 6.951 1.319 -4.242 200 HG21 ILE 30 1HG2 ILE 30 6.534 -1.212 -1.122 201 HG22 ILE 30 2HG2 ILE 30 7.754 0.059 -1.070 202 HG23 ILE 30 3HG2 ILE 30 6.176 0.321 -0.327 203 HD11 ILE 30 3HD1 ILE 30 6.953 3.168 -2.771 204 HD12 ILE 30 1HD1 ILE 30 7.882 2.289 -1.557 205 HD13 ILE 30 2HD1 ILE 30 8.640 2.758 -3.079 206 H HIS 31 H HIS 31 3.083 -0.180 -3.210 207 HA HIS 31 HA HIS 31 2.461 -1.764 -0.896 208 HB2 HIS 31 1HB HIS 31 1.214 0.241 -1.130 209 HB3 HIS 31 2HB HIS 31 0.793 -0.126 -2.800 210 HD1 HIS 31 HD1 HIS 31 0.235 -1.858 0.553 211 HD2 HIS 31 HD2 HIS 31 -1.776 -0.913 -2.957 212 HE1 HIS 31 HE1 HIS 31 -2.099 -2.744 0.856 213 H GLN 32 H GLN 32 1.557 -1.912 -4.337 214 HA GLN 32 HA GLN 32 -0.034 -4.135 -4.349 215 HB2 GLN 32 1HB GLN 32 2.051 -3.340 -6.387 216 HB3 GLN 32 2HB GLN 32 0.802 -4.547 -6.666 217 HG2 GLN 32 1HG GLN 32 0.087 -1.764 -5.835 218 HG3 GLN 32 2HG GLN 32 0.435 -2.151 -7.520 219 HE21 GLN 32 1HE2 GLN 32 -1.850 -1.348 -7.634 220 HE22 GLN 32 2HE2 GLN 32 -3.105 -2.524 -7.474 221 H ALA 33 H ALA 33 3.311 -3.976 -3.618 222 HA ALA 33 HA ALA 33 3.898 -6.735 -4.182 223 HB1 ALA 33 3HB ALA 33 5.639 -5.010 -4.285 224 HB2 ALA 33 1HB ALA 33 5.458 -4.733 -2.552 225 HB3 ALA 33 2HB ALA 33 6.048 -6.288 -3.141 226 H THR 34 H THR 34 1.808 -5.635 -2.099 227 HA THR 34 HA THR 34 2.648 -7.398 0.109 228 HB THR 34 HB THR 34 2.316 -4.948 0.657 229 HG1 THR 34 HG1 THR 34 2.147 -6.677 2.223 230 HG21 THR 34 3HG2 THR 34 -0.573 -5.247 0.890 231 HG22 THR 34 1HG2 THR 34 -0.018 -5.246 -0.784 232 HG23 THR 34 2HG2 THR 34 0.376 -3.893 0.277 233 H HIS 35 H HIS 35 0.238 -6.738 -2.272 234 HA HIS 35 HA HIS 35 -1.717 -8.515 -1.057 235 HB2 HIS 35 1HB HIS 35 -1.704 -6.779 -3.513 236 HB3 HIS 35 2HB HIS 35 -2.959 -7.989 -3.264 237 HD1 HIS 35 HD1 HIS 35 -4.296 -7.688 -0.886 238 HD2 HIS 35 HD2 HIS 35 -2.241 -4.390 -2.355 239 HE1 HIS 35 HE1 HIS 35 -5.269 -5.702 0.311 240 H SER 36 H SER 36 0.782 -9.692 -1.733 241 HA SER 36 HA SER 36 0.864 -10.998 -4.188 242 HB2 SER 36 1HB SER 36 2.668 -10.919 -2.385 243 HB3 SER 36 2HB SER 36 1.802 -12.241 -1.601 244 HG SER 36 HG SER 36 3.035 -13.391 -2.881 245 H GLY 37 H GLY 37 -0.356 -12.522 -5.085 246 HA2 GLY 37 1HA GLY 37 -1.777 -14.422 -3.357 247 HA3 GLY 37 2HA GLY 37 -2.713 -13.473 -4.502 248 H GLU 38 H GLU 38 -3.408 -15.121 -5.797 249 HA GLU 38 HA GLU 38 -1.444 -16.201 -7.631 250 HB2 GLU 38 1HB GLU 38 -1.753 -17.773 -5.566 251 HB3 GLU 38 2HB GLU 38 -3.273 -18.194 -6.342 252 HG2 GLU 38 1HG GLU 38 -1.933 -19.805 -7.214 253 HG3 GLU 38 2HG GLU 38 -1.723 -18.551 -8.435 254 H LYS 39 H LYS 39 -2.304 -15.670 -9.522 255 HA LYS 39 HA LYS 39 -5.216 -15.900 -9.873 256 HB2 LYS 39 1HB LYS 39 -4.075 -13.661 -10.238 257 HB3 LYS 39 2HB LYS 39 -3.302 -14.382 -11.644 258 HG2 LYS 39 1HG LYS 39 -5.244 -14.458 -12.850 259 HG3 LYS 39 2HG LYS 39 -6.263 -14.539 -11.411 260 HD2 LYS 39 1HD LYS 39 -4.663 -12.072 -11.868 261 HD3 LYS 39 2HD LYS 39 -6.092 -12.339 -12.870 262 HE2 LYS 39 1HE LYS 39 -7.535 -12.184 -11.089 263 HE3 LYS 39 2HE LYS 39 -6.317 -12.695 -9.921 264 HZ1 LYS 39 3HZ LYS 39 -6.508 -10.045 -11.243 265 HZ2 LYS 39 1HZ LYS 39 -5.217 -10.526 -10.260 266 HZ3 LYS 39 2HZ LYS 39 -6.771 -10.386 -9.607 267 HA PRO 40 HA PRO 40 -3.360 -19.373 -12.341 268 HB2 PRO 40 1HB PRO 40 -5.182 -21.223 -11.549 269 HB3 PRO 40 2HB PRO 40 -3.708 -20.875 -10.637 270 HG2 PRO 40 1HG PRO 40 -6.499 -19.898 -10.170 271 HG3 PRO 40 2HG PRO 40 -5.304 -20.476 -8.994 272 HD2 PRO 40 1HD PRO 40 -5.783 -17.844 -9.410 273 HD3 PRO 40 2HD PRO 40 -4.183 -18.463 -8.955 274 H SER 41 H SER 41 -6.432 -17.838 -12.062 275 HA SER 41 HA SER 41 -7.964 -19.163 -13.955 276 HB2 SER 41 1HB SER 41 -9.346 -17.261 -14.002 277 HB3 SER 41 2HB SER 41 -8.594 -17.190 -12.409 278 HG SER 41 HG SER 41 -7.605 -15.417 -12.964 279 H GLY 42 H GLY 42 -5.561 -16.599 -14.417 280 HA2 GLY 42 1HA GLY 42 -5.288 -17.435 -17.205 281 HA3 GLY 42 2HA GLY 42 -5.727 -15.759 -16.912 282 HA PRO 43 HA PRO 43 -1.229 -16.502 -15.214 283 HB2 PRO 43 1HB PRO 43 0.040 -18.651 -16.282 284 HB3 PRO 43 2HB PRO 43 -0.885 -18.732 -14.778 285 HG2 PRO 43 1HG PRO 43 -1.697 -19.533 -17.546 286 HG3 PRO 43 2HG PRO 43 -1.972 -20.377 -16.010 287 HD2 PRO 43 1HD PRO 43 -3.886 -18.892 -17.221 288 HD3 PRO 43 2HD PRO 43 -3.769 -19.044 -15.456 289 H SER 44 H SER 44 -2.324 -17.070 -18.453 290 HA SER 44 HA SER 44 -0.123 -16.730 -20.024 291 HB2 SER 44 1HB SER 44 -2.944 -15.736 -20.337 292 HB3 SER 44 2HB SER 44 -1.727 -15.394 -21.567 293 HG SER 44 HG SER 44 -1.399 -17.871 -21.235 294 H SER 45 H SER 45 0.907 -14.933 -21.014 295 HA SER 45 HA SER 45 0.682 -12.421 -19.489 296 HB2 SER 45 1HB SER 45 3.159 -13.864 -20.435 297 HB3 SER 45 2HB SER 45 3.175 -12.162 -19.974 298 HG SER 45 HG SER 45 2.054 -13.123 -17.971 299 H GLY 46 H GLY 46 0.477 -10.592 -20.643 300 HA2 GLY 46 1HA GLY 46 1.463 -9.620 -22.865 301 HA3 GLY 46 2HA GLY 46 0.427 -10.856 -23.563 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -26.981 15.675 -7.056 2 HA2 GLY 1 1HA GLY 1 -28.991 14.925 -8.890 3 HA3 GLY 1 2HA GLY 1 -27.416 14.610 -9.603 4 H SER 2 H SER 2 -29.744 12.944 -8.419 5 HA SER 2 HA SER 2 -29.169 11.567 -6.177 6 HB2 SER 2 1HB SER 2 -30.078 9.515 -7.334 7 HB3 SER 2 2HB SER 2 -31.087 10.953 -7.481 8 HG SER 2 HG SER 2 -30.573 9.621 -9.455 9 H SER 3 H SER 3 -27.676 10.948 -9.342 10 HA SER 3 HA SER 3 -26.116 8.784 -8.827 11 HB2 SER 3 1HB SER 3 -24.566 9.591 -10.517 12 HB3 SER 3 2HB SER 3 -26.213 9.996 -11.001 13 HG SER 3 HG SER 3 -25.290 11.898 -11.242 14 H GLY 4 H GLY 4 -24.223 8.317 -7.793 15 HA2 GLY 4 1HA GLY 4 -22.119 9.041 -6.817 16 HA3 GLY 4 2HA GLY 4 -22.928 10.517 -6.313 17 H SER 5 H SER 5 -21.591 7.896 -5.084 18 HA SER 5 HA SER 5 -23.668 7.368 -3.081 19 HB2 SER 5 1HB SER 5 -22.602 5.425 -4.220 20 HB3 SER 5 2HB SER 5 -21.054 5.908 -3.528 21 HG SER 5 HG SER 5 -21.929 5.570 -1.469 22 H SER 6 H SER 6 -20.260 8.299 -3.366 23 HA SER 6 HA SER 6 -20.429 9.963 -1.045 24 HB2 SER 6 1HB SER 6 -20.135 7.623 -0.095 25 HB3 SER 6 2HB SER 6 -18.535 7.619 -0.837 26 HG SER 6 HG SER 6 -19.505 9.442 1.111 27 H GLY 7 H GLY 7 -18.581 11.295 -0.766 28 HA2 GLY 7 1HA GLY 7 -17.220 11.883 -3.199 29 HA3 GLY 7 2HA GLY 7 -16.939 12.649 -1.643 30 H THR 8 H THR 8 -15.945 10.161 -3.839 31 HA THR 8 HA THR 8 -13.533 9.753 -2.207 32 HB THR 8 HB THR 8 -13.484 7.377 -2.833 33 HG1 THR 8 HG1 THR 8 -15.980 8.013 -4.043 34 HG21 THR 8 3HG2 THR 8 -15.738 6.779 -1.585 35 HG22 THR 8 1HG2 THR 8 -15.751 8.514 -1.271 36 HG23 THR 8 2HG2 THR 8 -14.390 7.531 -0.731 37 H GLY 9 H GLY 9 -11.686 8.908 -3.460 38 HA2 GLY 9 1HA GLY 9 -10.483 8.616 -5.460 39 HA3 GLY 9 2HA GLY 9 -11.845 9.279 -6.351 40 H GLU 10 H GLU 10 -10.013 10.602 -3.607 41 HA GLU 10 HA GLU 10 -9.636 13.064 -5.144 42 HB2 GLU 10 1HB GLU 10 -9.607 12.387 -2.230 43 HB3 GLU 10 2HB GLU 10 -8.747 13.815 -2.787 44 HG2 GLU 10 1HG GLU 10 -10.932 14.456 -2.062 45 HG3 GLU 10 2HG GLU 10 -10.839 14.630 -3.814 46 H LYS 11 H LYS 11 -8.072 10.711 -5.748 47 HA LYS 11 HA LYS 11 -5.432 11.902 -5.485 48 HB2 LYS 11 1HB LYS 11 -6.213 9.259 -4.313 49 HB3 LYS 11 2HB LYS 11 -4.584 9.482 -4.937 50 HG2 LYS 11 1HG LYS 11 -5.830 11.295 -2.888 51 HG3 LYS 11 2HG LYS 11 -4.864 9.876 -2.479 52 HD2 LYS 11 1HD LYS 11 -2.914 10.800 -3.365 53 HD3 LYS 11 2HD LYS 11 -3.801 11.982 -4.330 54 HE2 LYS 11 1HE LYS 11 -4.596 12.812 -1.958 55 HE3 LYS 11 2HE LYS 11 -3.115 12.015 -1.431 56 HZ1 LYS 11 3HZ LYS 11 -2.502 14.209 -1.870 57 HZ2 LYS 11 1HZ LYS 11 -3.405 14.288 -3.299 58 HZ3 LYS 11 2HZ LYS 11 -1.990 13.363 -3.242 59 HA PRO 12 HA PRO 12 -4.862 10.411 -9.573 60 HB2 PRO 12 1HB PRO 12 -2.209 9.839 -9.606 61 HB3 PRO 12 2HB PRO 12 -2.835 11.492 -9.576 62 HG2 PRO 12 1HG PRO 12 -1.792 9.820 -7.322 63 HG3 PRO 12 2HG PRO 12 -1.493 11.532 -7.677 64 HD2 PRO 12 1HD PRO 12 -3.275 10.721 -5.806 65 HD3 PRO 12 2HD PRO 12 -3.499 12.202 -6.760 66 H TYR 13 H TYR 13 -3.203 8.380 -7.159 67 HA TYR 13 HA TYR 13 -4.041 6.016 -8.708 68 HB2 TYR 13 1HB TYR 13 -1.605 6.265 -6.933 69 HB3 TYR 13 2HB TYR 13 -2.062 4.856 -7.884 70 HD1 TYR 13 HD2 TYR 13 -2.558 5.601 -10.492 71 HD2 TYR 13 HD1 TYR 13 0.162 7.455 -7.796 72 HE1 TYR 13 HE2 TYR 13 -1.263 6.461 -12.398 73 HE2 TYR 13 HE1 TYR 13 1.463 8.321 -9.694 74 HH TYR 13 HH TYR 13 0.418 7.774 -13.040 75 H LYS 14 H LYS 14 -4.762 4.199 -7.564 76 HA LYS 14 HA LYS 14 -4.986 4.273 -4.690 77 HB2 LYS 14 1HB LYS 14 -6.883 5.671 -5.280 78 HB3 LYS 14 2HB LYS 14 -7.454 4.465 -6.426 79 HG2 LYS 14 1HG LYS 14 -7.935 2.925 -4.640 80 HG3 LYS 14 2HG LYS 14 -7.235 4.030 -3.455 81 HD2 LYS 14 1HD LYS 14 -9.493 4.922 -5.207 82 HD3 LYS 14 2HD LYS 14 -9.812 3.957 -3.764 83 HE2 LYS 14 1HE LYS 14 -8.686 5.614 -2.386 84 HE3 LYS 14 2HE LYS 14 -8.291 6.562 -3.819 85 HZ1 LYS 14 3HZ LYS 14 -10.164 7.618 -3.078 86 HZ2 LYS 14 1HZ LYS 14 -10.881 6.205 -2.486 87 HZ3 LYS 14 2HZ LYS 14 -10.857 6.507 -4.150 88 H CYS 15 H CYS 15 -5.325 2.266 -3.806 89 HA CYS 15 HA CYS 15 -4.859 0.021 -5.506 90 HB2 CYS 15 1HB CYS 15 -4.082 0.345 -3.080 91 HB3 CYS 15 2HB CYS 15 -5.713 -0.130 -2.620 92 H ASN 16 H ASN 16 -6.207 -1.900 -5.605 93 HA ASN 16 HA ASN 16 -9.071 -1.219 -5.565 94 HB2 ASN 16 1HB ASN 16 -9.410 -2.578 -7.449 95 HB3 ASN 16 2HB ASN 16 -7.890 -1.758 -7.792 96 HD21 ASN 16 1HD2 ASN 16 -6.460 -3.041 -8.679 97 HD22 ASN 16 2HD2 ASN 16 -6.239 -4.720 -8.339 98 H GLU 17 H GLU 17 -6.757 -3.000 -3.991 99 HA GLU 17 HA GLU 17 -8.480 -5.264 -3.367 100 HB2 GLU 17 1HB GLU 17 -5.657 -4.579 -2.541 101 HB3 GLU 17 2HB GLU 17 -6.516 -6.010 -1.989 102 HG2 GLU 17 1HG GLU 17 -6.289 -5.510 -4.912 103 HG3 GLU 17 2HG GLU 17 -4.885 -6.111 -4.033 104 H CYS 18 H CYS 18 -6.909 -2.555 -1.696 105 HA CYS 18 HA CYS 18 -8.764 -2.975 0.555 106 HB2 CYS 18 1HB CYS 18 -7.060 -1.761 1.935 107 HB3 CYS 18 2HB CYS 18 -6.509 -3.312 1.310 108 H GLY 19 H GLY 19 -6.993 -0.459 -1.240 109 HA2 GLY 19 1HA GLY 19 -8.502 1.319 -2.167 110 HA3 GLY 19 2HA GLY 19 -9.172 1.412 -0.545 111 H LYS 20 H LYS 20 -5.787 0.869 -0.821 112 HA LYS 20 HA LYS 20 -5.175 3.265 0.582 113 HB2 LYS 20 1HB LYS 20 -3.626 0.995 -0.562 114 HB3 LYS 20 2HB LYS 20 -2.753 2.485 -0.227 115 HG2 LYS 20 1HG LYS 20 -4.453 1.082 1.817 116 HG3 LYS 20 2HG LYS 20 -2.729 0.769 1.603 117 HD2 LYS 20 1HD LYS 20 -2.116 2.816 2.431 118 HD3 LYS 20 2HD LYS 20 -3.620 3.590 1.928 119 HE2 LYS 20 1HE LYS 20 -3.581 1.515 4.093 120 HE3 LYS 20 2HE LYS 20 -3.219 3.205 4.440 121 HZ1 LYS 20 3HZ LYS 20 -5.618 2.409 4.690 122 HZ2 LYS 20 1HZ LYS 20 -5.681 2.445 3.000 123 HZ3 LYS 20 2HZ LYS 20 -5.354 3.861 3.865 124 H ALA 21 H ALA 21 -5.258 5.212 -0.321 125 HA ALA 21 HA ALA 21 -4.637 5.526 -3.160 126 HB1 ALA 21 3HB ALA 21 -5.423 7.948 -2.587 127 HB2 ALA 21 1HB ALA 21 -6.604 6.647 -2.745 128 HB3 ALA 21 2HB ALA 21 -6.088 7.181 -1.145 129 H PHE 22 H PHE 22 -2.814 6.432 -3.884 130 HA PHE 22 HA PHE 22 -1.043 7.727 -1.916 131 HB2 PHE 22 1HB PHE 22 -0.146 6.271 -4.406 132 HB3 PHE 22 2HB PHE 22 0.859 6.849 -3.081 133 HD1 PHE 22 HD2 PHE 22 -1.835 4.434 -3.903 134 HD2 PHE 22 HD1 PHE 22 1.352 5.465 -1.276 135 HE1 PHE 22 HE2 PHE 22 -2.042 2.246 -2.799 136 HE2 PHE 22 HE1 PHE 22 1.151 3.278 -0.168 137 HZ PHE 22 HZ PHE 22 -0.548 1.665 -0.928 138 H ARG 23 H ARG 23 0.732 9.038 -3.225 139 HA ARG 23 HA ARG 23 -0.776 10.863 -4.965 140 HB2 ARG 23 1HB ARG 23 0.732 12.592 -4.307 141 HB3 ARG 23 2HB ARG 23 0.243 11.749 -2.844 142 HG2 ARG 23 1HG ARG 23 2.472 11.894 -2.456 143 HG3 ARG 23 2HG ARG 23 2.443 10.368 -3.341 144 HD2 ARG 23 1HD ARG 23 4.145 11.521 -4.401 145 HD3 ARG 23 2HD ARG 23 2.758 11.867 -5.433 146 HE ARG 23 HE ARG 23 2.847 14.073 -4.778 147 HH11 ARG 23 1HH1 ARG 23 4.960 12.156 -2.783 148 HH12 ARG 23 2HH1 ARG 23 5.727 13.526 -2.052 149 HH21 ARG 23 1HH2 ARG 23 3.850 15.885 -3.823 150 HH22 ARG 23 2HH2 ARG 23 5.095 15.647 -2.644 151 H ALA 24 H ALA 24 1.714 8.553 -4.975 152 HA ALA 24 HA ALA 24 2.440 9.338 -7.711 153 HB1 ALA 24 3HB ALA 24 4.586 9.646 -7.230 154 HB2 ALA 24 1HB ALA 24 4.161 9.547 -5.521 155 HB3 ALA 24 2HB ALA 24 4.675 8.099 -6.388 156 H ARG 25 H ARG 25 3.146 7.602 -9.060 157 HA ARG 25 HA ARG 25 1.668 5.244 -8.785 158 HB2 ARG 25 1HB ARG 25 2.615 6.237 -10.917 159 HB3 ARG 25 2HB ARG 25 4.163 5.539 -10.457 160 HG2 ARG 25 1HG ARG 25 3.338 3.927 -11.859 161 HG3 ARG 25 2HG ARG 25 2.794 3.326 -10.291 162 HD2 ARG 25 1HD ARG 25 0.910 3.141 -11.660 163 HD3 ARG 25 2HD ARG 25 0.639 4.626 -10.750 164 HE ARG 25 HE ARG 25 1.839 5.507 -13.002 165 HH11 ARG 25 1HH1 ARG 25 -0.894 3.431 -12.416 166 HH12 ARG 25 2HH1 ARG 25 -1.716 3.884 -13.873 167 HH21 ARG 25 1HH2 ARG 25 0.767 6.111 -14.923 168 HH22 ARG 25 2HH2 ARG 25 -0.770 5.408 -15.298 169 H SER 26 H SER 26 5.184 5.728 -8.437 170 HA SER 26 HA SER 26 5.933 3.181 -7.734 171 HB2 SER 26 1HB SER 26 7.048 5.699 -6.480 172 HB3 SER 26 2HB SER 26 7.874 4.153 -6.668 173 HG SER 26 HG SER 26 8.404 4.730 -8.608 174 H SER 27 H SER 27 4.445 5.649 -5.719 175 HA SER 27 HA SER 27 4.792 4.353 -3.236 176 HB2 SER 27 1HB SER 27 2.646 6.309 -4.094 177 HB3 SER 27 2HB SER 27 3.014 5.863 -2.428 178 HG SER 27 HG SER 27 5.287 6.578 -3.259 179 H LEU 28 H LEU 28 2.418 4.030 -5.779 180 HA LEU 28 HA LEU 28 0.587 2.466 -4.210 181 HB2 LEU 28 1HB LEU 28 -0.375 3.702 -5.966 182 HB3 LEU 28 2HB LEU 28 0.811 3.119 -7.132 183 HG LEU 28 HG LEU 28 -0.340 0.790 -6.542 184 HD11 LEU 28 1HD1 LEU 28 -2.878 2.134 -6.613 185 HD12 LEU 28 2HD1 LEU 28 -1.974 2.599 -5.172 186 HD13 LEU 28 3HD1 LEU 28 -2.295 0.896 -5.500 187 HD21 LEU 28 3HD2 LEU 28 -0.145 1.628 -8.773 188 HD22 LEU 28 1HD2 LEU 28 -1.347 2.882 -8.463 189 HD23 LEU 28 2HD2 LEU 28 -1.832 1.187 -8.503 190 H ALA 29 H ALA 29 2.961 1.783 -6.761 191 HA ALA 29 HA ALA 29 2.545 -0.952 -7.016 192 HB1 ALA 29 3HB ALA 29 5.350 -0.063 -7.170 193 HB2 ALA 29 1HB ALA 29 4.366 -0.937 -8.344 194 HB3 ALA 29 2HB ALA 29 4.207 0.813 -8.189 195 H ILE 30 H ILE 30 5.167 0.568 -5.125 196 HA ILE 30 HA ILE 30 6.264 -1.508 -3.847 197 HB ILE 30 HB ILE 30 5.437 1.055 -2.480 198 HG12 ILE 30 1HG1 ILE 30 8.191 0.467 -3.494 199 HG13 ILE 30 2HG1 ILE 30 6.955 0.991 -4.633 200 HG21 ILE 30 1HG2 ILE 30 6.494 -1.254 -1.339 201 HG22 ILE 30 2HG2 ILE 30 7.867 -0.163 -1.517 202 HG23 ILE 30 3HG2 ILE 30 6.439 0.357 -0.623 203 HD11 ILE 30 3HD1 ILE 30 6.586 2.914 -2.927 204 HD12 ILE 30 1HD1 ILE 30 8.205 2.480 -2.378 205 HD13 ILE 30 2HD1 ILE 30 7.944 2.976 -4.050 206 H HIS 31 H HIS 31 3.089 -0.173 -3.125 207 HA HIS 31 HA HIS 31 2.671 -1.893 -0.852 208 HB2 HIS 31 1HB HIS 31 1.504 0.117 -0.655 209 HB3 HIS 31 2HB HIS 31 0.993 0.100 -2.340 210 HD1 HIS 31 HD1 HIS 31 0.342 -1.944 0.806 211 HD2 HIS 31 HD2 HIS 31 -1.581 -0.659 -2.645 212 HE1 HIS 31 HE1 HIS 31 -2.035 -2.735 1.027 213 H GLN 32 H GLN 32 1.533 -1.751 -4.206 214 HA GLN 32 HA GLN 32 -0.288 -3.829 -4.178 215 HB2 GLN 32 1HB GLN 32 1.602 -2.935 -6.354 216 HB3 GLN 32 2HB GLN 32 0.335 -4.128 -6.609 217 HG2 GLN 32 1HG GLN 32 -1.199 -2.252 -5.612 218 HG3 GLN 32 2HG GLN 32 0.118 -1.201 -6.132 219 HE21 GLN 32 1HE2 GLN 32 -1.886 -0.476 -7.403 220 HE22 GLN 32 2HE2 GLN 32 -2.060 -1.165 -8.977 221 H ALA 33 H ALA 33 3.098 -3.958 -3.758 222 HA ALA 33 HA ALA 33 3.436 -6.684 -4.619 223 HB1 ALA 33 3HB ALA 33 5.258 -4.991 -4.694 224 HB2 ALA 33 1HB ALA 33 5.298 -5.020 -2.931 225 HB3 ALA 33 2HB ALA 33 5.696 -6.475 -3.847 226 H THR 34 H THR 34 1.628 -5.646 -2.257 227 HA THR 34 HA THR 34 2.551 -7.622 -0.277 228 HB THR 34 HB THR 34 1.218 -6.409 1.390 229 HG1 THR 34 HG1 THR 34 0.516 -4.211 0.595 230 HG21 THR 34 3HG2 THR 34 2.703 -4.137 0.306 231 HG22 THR 34 1HG2 THR 34 3.633 -5.635 0.334 232 HG23 THR 34 2HG2 THR 34 2.921 -5.012 1.822 233 H HIS 35 H HIS 35 -0.033 -6.681 -2.378 234 HA HIS 35 HA HIS 35 -1.956 -8.476 -1.157 235 HB2 HIS 35 1HB HIS 35 -2.045 -6.670 -3.570 236 HB3 HIS 35 2HB HIS 35 -3.354 -7.782 -3.181 237 HD1 HIS 35 HD1 HIS 35 -4.290 -7.411 -0.585 238 HD2 HIS 35 HD2 HIS 35 -2.370 -4.234 -2.451 239 HE1 HIS 35 HE1 HIS 35 -4.997 -5.359 0.685 240 H SER 36 H SER 36 0.404 -9.757 -1.998 241 HA SER 36 HA SER 36 -0.662 -11.902 -3.493 242 HB2 SER 36 1HB SER 36 -0.154 -10.002 -5.238 243 HB3 SER 36 2HB SER 36 1.513 -10.542 -5.042 244 HG SER 36 HG SER 36 -0.691 -11.897 -6.115 245 H GLY 37 H GLY 37 1.318 -13.339 -4.319 246 HA2 GLY 37 1HA GLY 37 3.766 -13.101 -2.888 247 HA3 GLY 37 2HA GLY 37 2.682 -14.220 -2.077 248 H GLU 38 H GLU 38 5.140 -15.027 -3.075 249 HA GLU 38 HA GLU 38 5.340 -16.012 -5.609 250 HB2 GLU 38 1HB GLU 38 6.303 -16.994 -2.965 251 HB3 GLU 38 2HB GLU 38 6.472 -18.060 -4.353 252 HG2 GLU 38 1HG GLU 38 8.483 -16.969 -4.369 253 HG3 GLU 38 2HG GLU 38 7.543 -15.977 -5.481 254 H LYS 39 H LYS 39 3.111 -16.978 -3.183 255 HA LYS 39 HA LYS 39 2.208 -19.200 -4.896 256 HB2 LYS 39 1HB LYS 39 1.321 -20.265 -2.836 257 HB3 LYS 39 2HB LYS 39 3.072 -20.104 -2.829 258 HG2 LYS 39 1HG LYS 39 2.487 -17.851 -1.565 259 HG3 LYS 39 2HG LYS 39 1.033 -18.761 -1.150 260 HD2 LYS 39 1HD LYS 39 2.351 -20.522 -0.175 261 HD3 LYS 39 2HD LYS 39 3.846 -19.765 -0.727 262 HE2 LYS 39 1HE LYS 39 1.905 -18.510 1.210 263 HE3 LYS 39 2HE LYS 39 3.355 -19.394 1.683 264 HZ1 LYS 39 3HZ LYS 39 4.103 -17.485 -0.207 265 HZ2 LYS 39 1HZ LYS 39 4.504 -17.536 1.436 266 HZ3 LYS 39 2HZ LYS 39 3.123 -16.701 0.927 267 HA PRO 40 HA PRO 40 -1.144 -16.018 -4.746 268 HB2 PRO 40 1HB PRO 40 -1.806 -16.273 -7.367 269 HB3 PRO 40 2HB PRO 40 -0.519 -15.201 -6.800 270 HG2 PRO 40 1HG PRO 40 -0.317 -17.946 -7.976 271 HG3 PRO 40 2HG PRO 40 0.678 -16.514 -8.300 272 HD2 PRO 40 1HD PRO 40 1.487 -18.511 -6.659 273 HD3 PRO 40 2HD PRO 40 1.952 -16.816 -6.403 274 H SER 41 H SER 41 -1.226 -19.017 -6.684 275 HA SER 41 HA SER 41 -2.812 -20.632 -6.926 276 HB2 SER 41 1HB SER 41 -2.195 -20.725 -4.401 277 HB3 SER 41 2HB SER 41 -3.785 -20.004 -4.151 278 HG SER 41 HG SER 41 -4.344 -21.895 -5.727 279 H GLY 42 H GLY 42 -3.552 -18.153 -7.946 280 HA2 GLY 42 1HA GLY 42 -6.168 -18.398 -8.601 281 HA3 GLY 42 2HA GLY 42 -6.234 -17.517 -7.082 282 HA PRO 43 HA PRO 43 -4.003 -14.753 -10.409 283 HB2 PRO 43 1HB PRO 43 -4.595 -15.401 -12.979 284 HB3 PRO 43 2HB PRO 43 -3.190 -16.050 -12.124 285 HG2 PRO 43 1HG PRO 43 -5.861 -17.312 -12.610 286 HG3 PRO 43 2HG PRO 43 -4.244 -18.031 -12.733 287 HD2 PRO 43 1HD PRO 43 -5.847 -18.409 -10.584 288 HD3 PRO 43 2HD PRO 43 -4.077 -18.354 -10.457 289 H SER 44 H SER 44 -7.119 -16.183 -11.357 290 HA SER 44 HA SER 44 -8.240 -13.460 -11.449 291 HB2 SER 44 1HB SER 44 -8.869 -15.786 -13.280 292 HB3 SER 44 2HB SER 44 -9.789 -14.283 -13.233 293 HG SER 44 HG SER 44 -7.483 -13.374 -13.544 294 H SER 45 H SER 45 -8.842 -13.793 -9.233 295 HA SER 45 HA SER 45 -11.284 -15.413 -8.981 296 HB2 SER 45 1HB SER 45 -10.633 -16.029 -6.688 297 HB3 SER 45 2HB SER 45 -9.455 -16.614 -7.863 298 HG SER 45 HG SER 45 -9.095 -14.934 -5.791 299 H GLY 46 H GLY 46 -12.514 -13.522 -9.287 300 HA2 GLY 46 1HA GLY 46 -13.829 -11.834 -8.424 301 HA3 GLY 46 2HA GLY 46 -13.030 -12.066 -6.876 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -18.148 20.595 16.448 2 HA2 GLY 1 1HA GLY 1 -17.970 18.366 16.967 3 HA3 GLY 1 2HA GLY 1 -19.334 18.107 15.890 4 H SER 2 H SER 2 -15.985 19.193 15.345 5 HA SER 2 HA SER 2 -15.743 17.061 13.326 6 HB2 SER 2 1HB SER 2 -15.574 19.155 12.213 7 HB3 SER 2 2HB SER 2 -14.518 19.817 13.460 8 HG SER 2 HG SER 2 -12.863 18.564 12.728 9 H SER 3 H SER 3 -14.046 15.676 13.399 10 HA SER 3 HA SER 3 -12.209 15.969 15.685 11 HB2 SER 3 1HB SER 3 -13.808 14.001 15.694 12 HB3 SER 3 2HB SER 3 -12.929 13.383 14.295 13 HG SER 3 HG SER 3 -11.625 14.067 16.708 14 H GLY 4 H GLY 4 -10.630 17.147 14.583 15 HA2 GLY 4 1HA GLY 4 -8.484 17.028 13.630 16 HA3 GLY 4 2HA GLY 4 -8.933 15.512 12.864 17 H SER 5 H SER 5 -7.823 16.574 11.016 18 HA SER 5 HA SER 5 -9.711 18.291 9.542 19 HB2 SER 5 1HB SER 5 -7.739 19.264 8.382 20 HB3 SER 5 2HB SER 5 -7.728 19.579 10.117 21 HG SER 5 HG SER 5 -6.429 17.416 9.997 22 H SER 6 H SER 6 -10.677 17.058 8.070 23 HA SER 6 HA SER 6 -8.992 15.365 6.358 24 HB2 SER 6 1HB SER 6 -10.754 13.641 6.325 25 HB3 SER 6 2HB SER 6 -10.130 13.892 7.955 26 HG SER 6 HG SER 6 -12.052 14.469 8.555 27 H GLY 7 H GLY 7 -9.465 15.413 4.210 28 HA2 GLY 7 1HA GLY 7 -11.611 17.270 3.412 29 HA3 GLY 7 2HA GLY 7 -10.159 16.946 2.477 30 H THR 8 H THR 8 -12.212 16.789 0.963 31 HA THR 8 HA THR 8 -13.933 14.673 0.890 32 HB THR 8 HB THR 8 -12.455 15.807 -1.493 33 HG1 THR 8 HG1 THR 8 -13.699 17.299 -0.114 34 HG21 THR 8 3HG2 THR 8 -14.870 14.051 -1.223 35 HG22 THR 8 1HG2 THR 8 -13.487 13.882 -2.304 36 HG23 THR 8 2HG2 THR 8 -14.694 15.133 -2.604 37 H GLY 9 H GLY 9 -10.776 14.667 -0.790 38 HA2 GLY 9 1HA GLY 9 -9.230 12.824 -0.462 39 HA3 GLY 9 2HA GLY 9 -10.620 11.771 -0.243 40 H GLU 10 H GLU 10 -8.434 13.168 -2.481 41 HA GLU 10 HA GLU 10 -9.503 11.478 -4.589 42 HB2 GLU 10 1HB GLU 10 -10.655 13.682 -4.833 43 HB3 GLU 10 2HB GLU 10 -9.082 14.434 -5.056 44 HG2 GLU 10 1HG GLU 10 -8.760 13.458 -7.127 45 HG3 GLU 10 2HG GLU 10 -9.933 12.178 -6.818 46 H LYS 11 H LYS 11 -7.813 10.361 -5.273 47 HA LYS 11 HA LYS 11 -5.247 11.759 -5.633 48 HB2 LYS 11 1HB LYS 11 -5.838 9.240 -4.166 49 HB3 LYS 11 2HB LYS 11 -4.357 9.293 -5.112 50 HG2 LYS 11 1HG LYS 11 -3.487 11.073 -3.844 51 HG3 LYS 11 2HG LYS 11 -5.053 11.414 -3.105 52 HD2 LYS 11 1HD LYS 11 -4.968 9.413 -1.815 53 HD3 LYS 11 2HD LYS 11 -3.565 8.824 -2.710 54 HE2 LYS 11 1HE LYS 11 -2.276 10.767 -1.834 55 HE3 LYS 11 2HE LYS 11 -3.669 11.187 -0.839 56 HZ1 LYS 11 3HZ LYS 11 -3.488 8.987 0.210 57 HZ2 LYS 11 1HZ LYS 11 -2.103 9.929 0.450 58 HZ3 LYS 11 2HZ LYS 11 -2.088 8.678 -0.688 59 HA PRO 12 HA PRO 12 -5.077 10.078 -9.682 60 HB2 PRO 12 1HB PRO 12 -2.440 9.495 -9.966 61 HB3 PRO 12 2HB PRO 12 -3.061 11.150 -9.942 62 HG2 PRO 12 1HG PRO 12 -1.789 9.572 -7.739 63 HG3 PRO 12 2HG PRO 12 -1.530 11.266 -8.196 64 HD2 PRO 12 1HD PRO 12 -3.108 10.542 -6.117 65 HD3 PRO 12 2HD PRO 12 -3.431 11.981 -7.105 66 H TYR 13 H TYR 13 -3.246 8.145 -7.320 67 HA TYR 13 HA TYR 13 -4.069 5.721 -8.776 68 HB2 TYR 13 1HB TYR 13 -1.729 6.109 -6.897 69 HB3 TYR 13 2HB TYR 13 -2.147 4.606 -7.713 70 HD1 TYR 13 HD2 TYR 13 -2.378 4.867 -10.364 71 HD2 TYR 13 HD1 TYR 13 -0.083 7.414 -7.845 72 HE1 TYR 13 HE2 TYR 13 -1.005 5.529 -12.294 73 HE2 TYR 13 HE1 TYR 13 1.297 8.083 -9.768 74 HH TYR 13 HH TYR 13 1.734 7.757 -11.923 75 H LYS 14 H LYS 14 -5.063 4.064 -7.698 76 HA LYS 14 HA LYS 14 -5.414 4.213 -4.816 77 HB2 LYS 14 1HB LYS 14 -7.261 5.574 -5.692 78 HB3 LYS 14 2HB LYS 14 -7.765 4.238 -6.719 79 HG2 LYS 14 1HG LYS 14 -8.680 3.069 -4.992 80 HG3 LYS 14 2HG LYS 14 -7.567 3.744 -3.800 81 HD2 LYS 14 1HD LYS 14 -9.530 4.800 -3.225 82 HD3 LYS 14 2HD LYS 14 -8.824 5.978 -4.334 83 HE2 LYS 14 1HE LYS 14 -10.672 3.850 -5.344 84 HE3 LYS 14 2HE LYS 14 -11.316 5.313 -4.600 85 HZ1 LYS 14 3HZ LYS 14 -10.146 4.948 -7.194 86 HZ2 LYS 14 1HZ LYS 14 -9.474 6.255 -6.354 87 HZ3 LYS 14 2HZ LYS 14 -11.143 6.191 -6.623 88 H CYS 15 H CYS 15 -5.531 2.242 -3.903 89 HA CYS 15 HA CYS 15 -5.251 -0.066 -5.610 90 HB2 CYS 15 1HB CYS 15 -4.004 0.375 -3.407 91 HB3 CYS 15 2HB CYS 15 -5.494 -0.115 -2.608 92 H ASN 16 H ASN 16 -6.920 -1.150 -6.397 93 HA ASN 16 HA ASN 16 -9.569 -0.818 -5.320 94 HB2 ASN 16 1HB ASN 16 -10.335 -1.803 -7.263 95 HB3 ASN 16 2HB ASN 16 -8.788 -1.168 -7.814 96 HD21 ASN 16 1HD2 ASN 16 -6.964 -2.657 -7.815 97 HD22 ASN 16 2HD2 ASN 16 -7.254 -4.329 -8.141 98 H GLU 17 H GLU 17 -7.051 -2.628 -4.324 99 HA GLU 17 HA GLU 17 -8.503 -5.081 -3.773 100 HB2 GLU 17 1HB GLU 17 -5.735 -4.268 -2.872 101 HB3 GLU 17 2HB GLU 17 -6.425 -5.884 -2.815 102 HG2 GLU 17 1HG GLU 17 -6.276 -4.515 -5.445 103 HG3 GLU 17 2HG GLU 17 -4.788 -5.139 -4.737 104 H CYS 18 H CYS 18 -6.841 -2.589 -1.836 105 HA CYS 18 HA CYS 18 -8.528 -3.353 0.450 106 HB2 CYS 18 1HB CYS 18 -6.827 -2.216 1.845 107 HB3 CYS 18 2HB CYS 18 -6.151 -3.544 0.908 108 H GLY 19 H GLY 19 -7.194 -0.520 -1.237 109 HA2 GLY 19 1HA GLY 19 -8.925 1.198 -1.796 110 HA3 GLY 19 2HA GLY 19 -9.428 1.060 -0.118 111 H LYS 20 H LYS 20 -6.056 0.915 -0.888 112 HA LYS 20 HA LYS 20 -5.642 3.413 0.555 113 HB2 LYS 20 1HB LYS 20 -4.353 1.113 0.822 114 HB3 LYS 20 2HB LYS 20 -3.380 1.769 -0.488 115 HG2 LYS 20 1HG LYS 20 -3.903 3.235 2.084 116 HG3 LYS 20 2HG LYS 20 -2.503 2.195 1.814 117 HD2 LYS 20 1HD LYS 20 -1.631 3.610 0.160 118 HD3 LYS 20 2HD LYS 20 -3.167 4.451 -0.053 119 HE2 LYS 20 1HE LYS 20 -2.944 5.546 2.054 120 HE3 LYS 20 2HE LYS 20 -1.560 4.546 2.492 121 HZ1 LYS 20 3HZ LYS 20 -0.733 6.641 1.816 122 HZ2 LYS 20 1HZ LYS 20 -1.674 6.652 0.409 123 HZ3 LYS 20 2HZ LYS 20 -0.386 5.566 0.557 124 H ALA 21 H ALA 21 -5.365 5.272 -0.472 125 HA ALA 21 HA ALA 21 -4.582 5.222 -3.303 126 HB1 ALA 21 3HB ALA 21 -6.356 6.933 -1.697 127 HB2 ALA 21 1HB ALA 21 -5.365 7.774 -2.890 128 HB3 ALA 21 2HB ALA 21 -6.448 6.477 -3.398 129 H PHE 22 H PHE 22 -2.774 6.220 -4.018 130 HA PHE 22 HA PHE 22 -1.096 7.551 -1.995 131 HB2 PHE 22 1HB PHE 22 -0.127 6.130 -4.480 132 HB3 PHE 22 2HB PHE 22 0.853 6.738 -3.149 133 HD1 PHE 22 HD2 PHE 22 -1.916 4.342 -3.833 134 HD2 PHE 22 HD1 PHE 22 1.507 5.286 -1.487 135 HE1 PHE 22 HE2 PHE 22 -2.078 2.153 -2.722 136 HE2 PHE 22 HE1 PHE 22 1.352 3.097 -0.373 137 HZ PHE 22 HZ PHE 22 -0.443 1.528 -0.989 138 H ARG 23 H ARG 23 0.676 8.931 -3.211 139 HA ARG 23 HA ARG 23 -0.809 10.736 -4.993 140 HB2 ARG 23 1HB ARG 23 0.121 11.571 -2.774 141 HB3 ARG 23 2HB ARG 23 1.719 11.387 -3.486 142 HG2 ARG 23 1HG ARG 23 0.809 12.885 -5.374 143 HG3 ARG 23 2HG ARG 23 -0.461 13.298 -4.219 144 HD2 ARG 23 1HD ARG 23 1.407 13.841 -2.588 145 HD3 ARG 23 2HD ARG 23 2.504 13.732 -3.963 146 HE ARG 23 HE ARG 23 0.325 15.488 -4.488 147 HH11 ARG 23 1HH1 ARG 23 3.388 15.251 -2.852 148 HH12 ARG 23 2HH1 ARG 23 3.708 16.952 -2.926 149 HH21 ARG 23 1HH2 ARG 23 0.734 17.730 -4.592 150 HH22 ARG 23 2HH2 ARG 23 2.197 18.361 -3.916 151 H ALA 24 H ALA 24 1.794 8.541 -4.880 152 HA ALA 24 HA ALA 24 2.679 9.445 -7.540 153 HB1 ALA 24 3HB ALA 24 4.262 9.014 -5.120 154 HB2 ALA 24 1HB ALA 24 4.891 8.189 -6.547 155 HB3 ALA 24 2HB ALA 24 4.639 9.934 -6.576 156 H ARG 25 H ARG 25 3.304 7.820 -9.000 157 HA ARG 25 HA ARG 25 1.796 5.478 -8.960 158 HB2 ARG 25 1HB ARG 25 3.109 6.732 -10.889 159 HB3 ARG 25 2HB ARG 25 4.347 5.544 -10.506 160 HG2 ARG 25 1HG ARG 25 1.534 4.675 -11.018 161 HG3 ARG 25 2HG ARG 25 2.622 5.035 -12.360 162 HD2 ARG 25 1HD ARG 25 2.980 2.779 -12.080 163 HD3 ARG 25 2HD ARG 25 4.260 3.460 -11.077 164 HE ARG 25 HE ARG 25 2.302 3.155 -9.292 165 HH11 ARG 25 1HH1 ARG 25 3.534 0.995 -11.730 166 HH12 ARG 25 2HH1 ARG 25 3.160 -0.439 -10.833 167 HH21 ARG 25 1HH2 ARG 25 1.805 1.273 -8.102 168 HH22 ARG 25 2HH2 ARG 25 2.176 -0.280 -8.770 169 H SER 26 H SER 26 5.326 5.788 -8.530 170 HA SER 26 HA SER 26 5.890 3.156 -7.913 171 HB2 SER 26 1HB SER 26 7.489 5.167 -8.236 172 HB3 SER 26 2HB SER 26 7.287 5.419 -6.502 173 HG SER 26 HG SER 26 8.256 3.511 -6.096 174 H SER 27 H SER 27 4.634 5.701 -5.842 175 HA SER 27 HA SER 27 4.963 4.411 -3.367 176 HB2 SER 27 1HB SER 27 3.036 6.524 -4.327 177 HB3 SER 27 2HB SER 27 3.013 5.926 -2.668 178 HG SER 27 HG SER 27 4.903 7.500 -3.973 179 H LEU 28 H LEU 28 2.598 4.043 -5.892 180 HA LEU 28 HA LEU 28 0.739 2.560 -4.263 181 HB2 LEU 28 1HB LEU 28 -0.203 3.812 -6.034 182 HB3 LEU 28 2HB LEU 28 0.926 3.136 -7.206 183 HG LEU 28 HG LEU 28 -0.287 0.883 -6.569 184 HD11 LEU 28 1HD1 LEU 28 -2.240 3.022 -5.775 185 HD12 LEU 28 2HD1 LEU 28 -1.725 1.608 -4.857 186 HD13 LEU 28 3HD1 LEU 28 -2.751 1.410 -6.277 187 HD21 LEU 28 3HD2 LEU 28 -0.276 2.488 -8.722 188 HD22 LEU 28 1HD2 LEU 28 -1.981 2.588 -8.282 189 HD23 LEU 28 2HD2 LEU 28 -1.247 1.018 -8.610 190 H ALA 29 H ALA 29 3.101 1.813 -6.800 191 HA ALA 29 HA ALA 29 2.623 -0.919 -7.036 192 HB1 ALA 29 3HB ALA 29 4.703 0.934 -7.815 193 HB2 ALA 29 1HB ALA 29 5.362 -0.645 -7.383 194 HB3 ALA 29 2HB ALA 29 4.122 -0.518 -8.631 195 H ILE 30 H ILE 30 5.205 0.627 -5.112 196 HA ILE 30 HA ILE 30 6.307 -1.468 -3.837 197 HB ILE 30 HB ILE 30 5.504 1.116 -2.494 198 HG12 ILE 30 1HG1 ILE 30 8.215 0.423 -3.601 199 HG13 ILE 30 2HG1 ILE 30 6.970 1.132 -4.624 200 HG21 ILE 30 1HG2 ILE 30 6.637 0.517 -0.654 201 HG22 ILE 30 2HG2 ILE 30 6.406 -1.128 -1.244 202 HG23 ILE 30 3HG2 ILE 30 7.913 -0.275 -1.579 203 HD11 ILE 30 3HD1 ILE 30 8.780 2.571 -3.291 204 HD12 ILE 30 1HD1 ILE 30 7.165 3.165 -3.677 205 HD13 ILE 30 2HD1 ILE 30 7.504 2.509 -2.074 206 H HIS 31 H HIS 31 3.165 -0.055 -3.081 207 HA HIS 31 HA HIS 31 2.711 -1.715 -0.791 208 HB2 HIS 31 1HB HIS 31 1.539 0.326 -0.762 209 HB3 HIS 31 2HB HIS 31 0.978 0.129 -2.420 210 HD1 HIS 31 HD1 HIS 31 0.401 -1.348 1.023 211 HD2 HIS 31 HD2 HIS 31 -1.495 -0.995 -2.656 212 HE1 HIS 31 HE1 HIS 31 -1.921 -2.246 1.375 213 H GLN 32 H GLN 32 1.634 -1.748 -4.168 214 HA GLN 32 HA GLN 32 -0.141 -3.876 -4.050 215 HB2 GLN 32 1HB GLN 32 1.707 -3.011 -6.275 216 HB3 GLN 32 2HB GLN 32 0.453 -4.227 -6.473 217 HG2 GLN 32 1HG GLN 32 -1.216 -2.518 -5.763 218 HG3 GLN 32 2HG GLN 32 0.080 -1.323 -5.791 219 HE21 GLN 32 1HE2 GLN 32 -1.899 -0.685 -7.331 220 HE22 GLN 32 2HE2 GLN 32 -1.585 -1.000 -9.000 221 H ALA 33 H ALA 33 3.218 -3.883 -3.565 222 HA ALA 33 HA ALA 33 3.714 -6.585 -4.408 223 HB1 ALA 33 3HB ALA 33 5.636 -5.322 -4.508 224 HB2 ALA 33 1HB ALA 33 5.293 -4.484 -2.994 225 HB3 ALA 33 2HB ALA 33 5.850 -6.158 -2.970 226 H THR 34 H THR 34 1.771 -5.597 -2.097 227 HA THR 34 HA THR 34 2.647 -7.591 -0.114 228 HB THR 34 HB THR 34 1.405 -6.432 1.559 229 HG1 THR 34 HG1 THR 34 0.299 -5.042 -0.646 230 HG21 THR 34 3HG2 THR 34 2.866 -4.447 -0.185 231 HG22 THR 34 1HG2 THR 34 3.564 -5.434 1.098 232 HG23 THR 34 2HG2 THR 34 2.403 -4.166 1.493 233 H HIS 35 H HIS 35 0.021 -6.557 -2.176 234 HA HIS 35 HA HIS 35 -1.923 -8.360 -1.110 235 HB2 HIS 35 1HB HIS 35 -1.767 -6.717 -3.629 236 HB3 HIS 35 2HB HIS 35 -3.099 -7.832 -3.336 237 HD1 HIS 35 HD1 HIS 35 -4.587 -7.294 -1.176 238 HD2 HIS 35 HD2 HIS 35 -1.999 -4.284 -2.402 239 HE1 HIS 35 HE1 HIS 35 -5.399 -5.205 -0.036 240 H SER 36 H SER 36 -0.985 -10.407 -1.082 241 HA SER 36 HA SER 36 -0.417 -11.592 -3.718 242 HB2 SER 36 1HB SER 36 0.688 -12.118 -0.980 243 HB3 SER 36 2HB SER 36 0.688 -13.410 -2.180 244 HG SER 36 HG SER 36 2.150 -12.369 -3.329 245 H GLY 37 H GLY 37 -2.631 -12.012 -4.147 246 HA2 GLY 37 1HA GLY 37 -4.153 -13.671 -2.336 247 HA3 GLY 37 2HA GLY 37 -4.666 -13.107 -3.920 248 H GLU 38 H GLU 38 -2.511 -15.431 -2.325 249 HA GLU 38 HA GLU 38 -2.511 -17.087 -4.731 250 HB2 GLU 38 1HB GLU 38 -0.801 -18.413 -3.590 251 HB3 GLU 38 2HB GLU 38 -0.366 -16.710 -3.615 252 HG2 GLU 38 1HG GLU 38 -0.794 -16.441 -1.341 253 HG3 GLU 38 2HG GLU 38 -1.746 -17.921 -1.252 254 H LYS 39 H LYS 39 -4.127 -16.807 -1.756 255 HA LYS 39 HA LYS 39 -5.279 -19.493 -2.113 256 HB2 LYS 39 1HB LYS 39 -5.641 -19.327 0.466 257 HB3 LYS 39 2HB LYS 39 -4.077 -19.828 -0.163 258 HG2 LYS 39 1HG LYS 39 -3.441 -18.306 1.418 259 HG3 LYS 39 2HG LYS 39 -3.534 -17.274 -0.011 260 HD2 LYS 39 1HD LYS 39 -5.576 -16.339 0.660 261 HD3 LYS 39 2HD LYS 39 -5.885 -17.630 1.823 262 HE2 LYS 39 1HE LYS 39 -5.224 -15.936 3.224 263 HE3 LYS 39 2HE LYS 39 -3.684 -16.741 2.930 264 HZ1 LYS 39 3HZ LYS 39 -4.624 -14.135 2.011 265 HZ2 LYS 39 1HZ LYS 39 -3.641 -15.014 0.951 266 HZ3 LYS 39 2HZ LYS 39 -3.076 -14.618 2.496 267 HA PRO 40 HA PRO 40 -8.473 -16.026 -2.076 268 HB2 PRO 40 1HB PRO 40 -9.439 -16.477 -4.573 269 HB3 PRO 40 2HB PRO 40 -8.091 -15.380 -4.248 270 HG2 PRO 40 1HG PRO 40 -8.038 -18.212 -5.219 271 HG3 PRO 40 2HG PRO 40 -7.083 -16.822 -5.769 272 HD2 PRO 40 1HD PRO 40 -6.093 -18.693 -4.081 273 HD3 PRO 40 2HD PRO 40 -5.596 -16.990 -4.016 274 H SER 41 H SER 41 -9.481 -17.408 -0.510 275 HA SER 41 HA SER 41 -11.504 -19.188 -1.698 276 HB2 SER 41 1HB SER 41 -9.654 -19.688 0.600 277 HB3 SER 41 2HB SER 41 -11.267 -20.400 0.635 278 HG SER 41 HG SER 41 -9.113 -21.208 -0.726 279 H GLY 42 H GLY 42 -10.656 -17.515 1.341 280 HA2 GLY 42 1HA GLY 42 -13.297 -16.290 1.384 281 HA3 GLY 42 2HA GLY 42 -12.942 -17.395 2.704 282 HA PRO 43 HA PRO 43 -9.881 -13.653 3.109 283 HB2 PRO 43 1HB PRO 43 -10.494 -11.464 1.624 284 HB3 PRO 43 2HB PRO 43 -9.420 -12.744 1.049 285 HG2 PRO 43 1HG PRO 43 -12.319 -12.293 0.454 286 HG3 PRO 43 2HG PRO 43 -11.009 -12.754 -0.649 287 HD2 PRO 43 1HD PRO 43 -12.775 -14.549 0.348 288 HD3 PRO 43 2HD PRO 43 -11.089 -14.970 -0.018 289 H SER 44 H SER 44 -10.144 -12.271 4.787 290 HA SER 44 HA SER 44 -12.897 -11.480 5.439 291 HB2 SER 44 1HB SER 44 -11.666 -12.898 7.086 292 HB3 SER 44 2HB SER 44 -10.491 -11.596 7.274 293 HG SER 44 HG SER 44 -13.173 -11.715 8.087 294 H SER 45 H SER 45 -9.576 -10.246 5.342 295 HA SER 45 HA SER 45 -10.423 -7.545 5.910 296 HB2 SER 45 1HB SER 45 -7.723 -8.597 5.032 297 HB3 SER 45 2HB SER 45 -8.050 -6.972 5.633 298 HG SER 45 HG SER 45 -7.744 -7.776 7.539 299 H GLY 46 H GLY 46 -8.840 -9.136 3.132 300 HA2 GLY 46 1HA GLY 46 -10.207 -8.553 1.004 301 HA3 GLY 46 2HA GLY 46 -9.743 -6.913 1.434 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -26.356 24.342 -12.626 2 HA2 GLY 1 1HA GLY 1 -24.680 22.368 -13.415 3 HA3 GLY 1 2HA GLY 1 -23.571 23.601 -12.834 4 H SER 2 H SER 2 -24.076 20.915 -11.791 5 HA SER 2 HA SER 2 -25.235 21.539 -9.164 6 HB2 SER 2 1HB SER 2 -25.978 19.514 -10.644 7 HB3 SER 2 2HB SER 2 -24.503 18.762 -10.036 8 HG SER 2 HG SER 2 -26.175 18.248 -8.651 9 H SER 3 H SER 3 -23.580 22.475 -8.054 10 HA SER 3 HA SER 3 -21.039 21.004 -7.893 11 HB2 SER 3 1HB SER 3 -20.963 23.409 -8.600 12 HB3 SER 3 2HB SER 3 -21.594 23.845 -7.012 13 HG SER 3 HG SER 3 -19.258 22.285 -7.319 14 H GLY 4 H GLY 4 -21.013 19.624 -6.240 15 HA2 GLY 4 1HA GLY 4 -21.943 20.611 -3.619 16 HA3 GLY 4 2HA GLY 4 -22.380 19.005 -4.182 17 H SER 5 H SER 5 -20.556 20.341 -1.993 18 HA SER 5 HA SER 5 -18.037 19.005 -2.529 19 HB2 SER 5 1HB SER 5 -19.034 20.733 -0.266 20 HB3 SER 5 2HB SER 5 -17.479 19.904 -0.196 21 HG SER 5 HG SER 5 -18.177 21.552 -2.379 22 H SER 6 H SER 6 -19.914 17.101 -2.536 23 HA SER 6 HA SER 6 -20.594 15.934 -0.081 24 HB2 SER 6 1HB SER 6 -20.397 14.951 -2.897 25 HB3 SER 6 2HB SER 6 -20.578 13.766 -1.604 26 HG SER 6 HG SER 6 -22.519 14.928 -2.708 27 H GLY 7 H GLY 7 -17.849 15.277 -2.252 28 HA2 GLY 7 1HA GLY 7 -16.421 14.156 0.071 29 HA3 GLY 7 2HA GLY 7 -16.441 13.292 -1.459 30 H THR 8 H THR 8 -15.010 15.819 0.366 31 HA THR 8 HA THR 8 -13.612 16.998 -1.874 32 HB THR 8 HB THR 8 -13.141 17.448 1.078 33 HG1 THR 8 HG1 THR 8 -14.859 18.678 1.033 34 HG21 THR 8 3HG2 THR 8 -11.981 18.541 -1.383 35 HG22 THR 8 1HG2 THR 8 -11.353 18.547 0.265 36 HG23 THR 8 2HG2 THR 8 -12.527 19.764 -0.236 37 H GLY 9 H GLY 9 -11.378 16.902 -2.247 38 HA2 GLY 9 1HA GLY 9 -9.198 16.094 -1.980 39 HA3 GLY 9 2HA GLY 9 -9.761 15.075 -0.664 40 H GLU 10 H GLU 10 -8.629 15.068 -3.773 41 HA GLU 10 HA GLU 10 -9.697 12.363 -4.223 42 HB2 GLU 10 1HB GLU 10 -9.259 14.505 -6.311 43 HB3 GLU 10 2HB GLU 10 -9.675 12.833 -6.661 44 HG2 GLU 10 1HG GLU 10 -11.689 14.001 -6.811 45 HG3 GLU 10 2HG GLU 10 -11.743 13.207 -5.239 46 H LYS 11 H LYS 11 -8.274 10.851 -5.006 47 HA LYS 11 HA LYS 11 -5.459 11.705 -5.149 48 HB2 LYS 11 1HB LYS 11 -6.791 9.290 -4.021 49 HB3 LYS 11 2HB LYS 11 -5.190 9.093 -4.721 50 HG2 LYS 11 1HG LYS 11 -4.698 9.496 -2.514 51 HG3 LYS 11 2HG LYS 11 -4.568 11.113 -3.211 52 HD2 LYS 11 1HD LYS 11 -5.851 11.534 -1.347 53 HD3 LYS 11 2HD LYS 11 -7.101 11.268 -2.565 54 HE2 LYS 11 1HE LYS 11 -7.159 8.866 -1.826 55 HE3 LYS 11 2HE LYS 11 -6.107 9.325 -0.488 56 HZ1 LYS 11 3HZ LYS 11 -8.361 11.053 -0.687 57 HZ2 LYS 11 1HZ LYS 11 -7.825 10.137 0.630 58 HZ3 LYS 11 2HZ LYS 11 -8.845 9.440 -0.526 59 HA PRO 12 HA PRO 12 -5.335 10.432 -9.361 60 HB2 PRO 12 1HB PRO 12 -2.669 9.977 -9.597 61 HB3 PRO 12 2HB PRO 12 -3.361 11.600 -9.500 62 HG2 PRO 12 1HG PRO 12 -2.083 9.954 -7.351 63 HG3 PRO 12 2HG PRO 12 -1.886 11.680 -7.704 64 HD2 PRO 12 1HD PRO 12 -3.488 10.775 -5.718 65 HD3 PRO 12 2HD PRO 12 -3.845 12.253 -6.634 66 H TYR 13 H TYR 13 -3.517 8.444 -7.038 67 HA TYR 13 HA TYR 13 -4.238 6.070 -8.629 68 HB2 TYR 13 1HB TYR 13 -1.841 6.512 -6.838 69 HB3 TYR 13 2HB TYR 13 -2.244 4.982 -7.609 70 HD1 TYR 13 HD2 TYR 13 -2.112 4.770 -10.076 71 HD2 TYR 13 HD1 TYR 13 -0.795 8.277 -8.060 72 HE1 TYR 13 HE2 TYR 13 -0.858 5.445 -12.082 73 HE2 TYR 13 HE1 TYR 13 0.461 8.963 -10.060 74 HH TYR 13 HH TYR 13 1.508 7.722 -12.091 75 H LYS 14 H LYS 14 -5.449 4.553 -7.689 76 HA LYS 14 HA LYS 14 -5.593 4.422 -4.768 77 HB2 LYS 14 1HB LYS 14 -7.485 5.837 -5.911 78 HB3 LYS 14 2HB LYS 14 -8.141 4.261 -6.335 79 HG2 LYS 14 1HG LYS 14 -9.224 4.692 -4.362 80 HG3 LYS 14 2HG LYS 14 -7.835 3.760 -3.796 81 HD2 LYS 14 1HD LYS 14 -6.807 5.599 -2.873 82 HD3 LYS 14 2HD LYS 14 -7.605 6.728 -3.970 83 HE2 LYS 14 1HE LYS 14 -8.573 7.083 -1.844 84 HE3 LYS 14 2HE LYS 14 -9.759 6.168 -2.773 85 HZ1 LYS 14 3HZ LYS 14 -9.393 4.276 -1.546 86 HZ2 LYS 14 1HZ LYS 14 -9.200 5.468 -0.361 87 HZ3 LYS 14 2HZ LYS 14 -7.841 4.741 -1.059 88 H CYS 15 H CYS 15 -5.812 2.392 -3.972 89 HA CYS 15 HA CYS 15 -5.622 0.208 -5.871 90 HB2 CYS 15 1HB CYS 15 -4.121 0.284 -3.918 91 HB3 CYS 15 2HB CYS 15 -5.515 0.185 -2.848 92 H ASN 16 H ASN 16 -7.308 -0.928 -6.543 93 HA ASN 16 HA ASN 16 -9.865 -0.653 -5.179 94 HB2 ASN 16 1HB ASN 16 -10.692 -1.982 -7.191 95 HB3 ASN 16 2HB ASN 16 -10.033 -0.384 -7.529 96 HD21 ASN 16 1HD2 ASN 16 -9.555 -3.806 -7.817 97 HD22 ASN 16 2HD2 ASN 16 -8.253 -3.736 -8.950 98 H GLU 17 H GLU 17 -7.490 -2.344 -4.255 99 HA GLU 17 HA GLU 17 -8.861 -4.943 -4.115 100 HB2 GLU 17 1HB GLU 17 -5.967 -4.317 -3.510 101 HB3 GLU 17 2HB GLU 17 -6.703 -5.913 -3.557 102 HG2 GLU 17 1HG GLU 17 -5.577 -5.732 -5.583 103 HG3 GLU 17 2HG GLU 17 -7.261 -5.401 -5.988 104 H CYS 18 H CYS 18 -7.001 -2.654 -2.127 105 HA CYS 18 HA CYS 18 -8.321 -3.771 0.257 106 HB2 CYS 18 1HB CYS 18 -6.455 -2.912 1.559 107 HB3 CYS 18 2HB CYS 18 -5.851 -3.925 0.252 108 H GLY 19 H GLY 19 -7.325 -0.744 -1.303 109 HA2 GLY 19 1HA GLY 19 -9.062 1.014 -1.374 110 HA3 GLY 19 2HA GLY 19 -9.381 0.635 0.312 111 H LYS 20 H LYS 20 -6.248 0.998 -1.294 112 HA LYS 20 HA LYS 20 -5.595 3.103 0.645 113 HB2 LYS 20 1HB LYS 20 -4.149 1.063 0.532 114 HB3 LYS 20 2HB LYS 20 -3.713 1.518 -1.110 115 HG2 LYS 20 1HG LYS 20 -1.954 2.252 0.273 116 HG3 LYS 20 2HG LYS 20 -2.872 3.695 -0.161 117 HD2 LYS 20 1HD LYS 20 -2.453 3.911 2.141 118 HD3 LYS 20 2HD LYS 20 -4.125 3.355 2.034 119 HE2 LYS 20 1HE LYS 20 -3.570 1.192 2.720 120 HE3 LYS 20 2HE LYS 20 -1.861 1.415 2.351 121 HZ1 LYS 20 3HZ LYS 20 -2.615 3.319 4.263 122 HZ2 LYS 20 1HZ LYS 20 -1.526 2.035 4.434 123 HZ3 LYS 20 2HZ LYS 20 -3.164 1.808 4.791 124 H ALA 21 H ALA 21 -4.311 4.934 -0.084 125 HA ALA 21 HA ALA 21 -4.700 5.585 -2.929 126 HB1 ALA 21 3HB ALA 21 -4.900 7.807 -0.986 127 HB2 ALA 21 1HB ALA 21 -5.744 7.552 -2.514 128 HB3 ALA 21 2HB ALA 21 -6.262 6.689 -1.065 129 H PHE 22 H PHE 22 -2.951 6.370 -3.930 130 HA PHE 22 HA PHE 22 -0.700 7.288 -2.266 131 HB2 PHE 22 1HB PHE 22 -0.311 5.943 -4.926 132 HB3 PHE 22 2HB PHE 22 0.847 6.153 -3.617 133 HD1 PHE 22 HD2 PHE 22 -2.397 4.473 -4.346 134 HD2 PHE 22 HD1 PHE 22 1.295 4.371 -2.232 135 HE1 PHE 22 HE2 PHE 22 -2.939 2.222 -3.514 136 HE2 PHE 22 HE1 PHE 22 0.760 2.120 -1.398 137 HZ PHE 22 HZ PHE 22 -1.360 1.042 -2.038 138 H ARG 23 H ARG 23 0.874 8.660 -3.503 139 HA ARG 23 HA ARG 23 -0.622 10.667 -4.988 140 HB2 ARG 23 1HB ARG 23 1.049 11.110 -3.055 141 HB3 ARG 23 2HB ARG 23 2.289 10.864 -4.277 142 HG2 ARG 23 1HG ARG 23 1.385 12.689 -5.597 143 HG3 ARG 23 2HG ARG 23 0.090 12.915 -4.419 144 HD2 ARG 23 1HD ARG 23 3.037 13.197 -3.842 145 HD3 ARG 23 2HD ARG 23 1.930 14.536 -4.143 146 HE ARG 23 HE ARG 23 1.053 14.263 -2.025 147 HH11 ARG 23 1HH1 ARG 23 3.194 11.627 -2.791 148 HH12 ARG 23 2HH1 ARG 23 3.241 11.022 -1.168 149 HH21 ARG 23 1HH2 ARG 23 1.106 13.476 0.115 150 HH22 ARG 23 2HH2 ARG 23 2.053 12.074 0.484 151 H ALA 24 H ALA 24 1.871 8.280 -5.485 152 HA ALA 24 HA ALA 24 1.730 8.782 -8.361 153 HB1 ALA 24 3HB ALA 24 4.062 8.893 -8.688 154 HB2 ALA 24 1HB ALA 24 3.713 10.003 -7.363 155 HB3 ALA 24 2HB ALA 24 4.398 8.413 -7.025 156 H ARG 25 H ARG 25 3.242 6.992 -9.455 157 HA ARG 25 HA ARG 25 2.022 4.511 -8.857 158 HB2 ARG 25 1HB ARG 25 4.348 5.238 -10.638 159 HB3 ARG 25 2HB ARG 25 3.692 3.610 -10.529 160 HG2 ARG 25 1HG ARG 25 1.778 4.154 -11.647 161 HG3 ARG 25 2HG ARG 25 1.823 5.840 -11.128 162 HD2 ARG 25 1HD ARG 25 3.807 4.657 -13.058 163 HD3 ARG 25 2HD ARG 25 2.302 5.418 -13.572 164 HE ARG 25 HE ARG 25 3.542 7.252 -11.940 165 HH11 ARG 25 1HH1 ARG 25 4.309 5.578 -14.894 166 HH12 ARG 25 2HH1 ARG 25 5.308 6.852 -15.510 167 HH21 ARG 25 1HH2 ARG 25 4.855 8.937 -12.740 168 HH22 ARG 25 2HH2 ARG 25 5.619 8.762 -14.283 169 H SER 26 H SER 26 5.426 5.544 -8.584 170 HA SER 26 HA SER 26 6.593 3.351 -7.517 171 HB2 SER 26 1HB SER 26 7.689 5.581 -7.949 172 HB3 SER 26 2HB SER 26 7.058 6.120 -6.393 173 HG SER 26 HG SER 26 8.629 5.098 -5.463 174 H SER 27 H SER 27 4.550 5.652 -5.786 175 HA SER 27 HA SER 27 4.914 4.445 -3.228 176 HB2 SER 27 1HB SER 27 2.869 6.391 -4.301 177 HB3 SER 27 2HB SER 27 2.871 5.832 -2.628 178 HG SER 27 HG SER 27 4.796 7.388 -3.980 179 H LEU 28 H LEU 28 2.685 3.990 -5.880 180 HA LEU 28 HA LEU 28 0.816 2.398 -4.412 181 HB2 LEU 28 1HB LEU 28 0.023 3.543 -6.336 182 HB3 LEU 28 2HB LEU 28 1.282 2.841 -7.350 183 HG LEU 28 HG LEU 28 0.126 0.586 -6.800 184 HD11 LEU 28 1HD1 LEU 28 -2.406 1.050 -6.606 185 HD12 LEU 28 2HD1 LEU 28 -1.908 2.599 -5.926 186 HD13 LEU 28 3HD1 LEU 28 -1.416 1.095 -5.147 187 HD21 LEU 28 3HD2 LEU 28 0.118 1.309 -9.022 188 HD22 LEU 28 1HD2 LEU 28 -0.890 2.709 -8.659 189 HD23 LEU 28 2HD2 LEU 28 -1.589 1.090 -8.635 190 H ALA 29 H ALA 29 3.553 1.730 -6.543 191 HA ALA 29 HA ALA 29 3.253 -1.030 -6.795 192 HB1 ALA 29 3HB ALA 29 5.176 0.891 -7.507 193 HB2 ALA 29 1HB ALA 29 6.032 -0.361 -6.606 194 HB3 ALA 29 2HB ALA 29 5.082 -0.791 -8.029 195 H ILE 30 H ILE 30 5.385 0.700 -4.511 196 HA ILE 30 HA ILE 30 6.412 -1.288 -3.031 197 HB ILE 30 HB ILE 30 5.179 1.217 -1.880 198 HG12 ILE 30 1HG1 ILE 30 8.096 0.799 -2.441 199 HG13 ILE 30 2HG1 ILE 30 7.016 1.296 -3.739 200 HG21 ILE 30 1HG2 ILE 30 6.112 -0.972 -0.496 201 HG22 ILE 30 2HG2 ILE 30 7.502 0.112 -0.524 202 HG23 ILE 30 3HG2 ILE 30 5.964 0.667 0.135 203 HD11 ILE 30 3HD1 ILE 30 7.212 3.390 -3.078 204 HD12 ILE 30 1HD1 ILE 30 6.501 2.966 -1.521 205 HD13 ILE 30 2HD1 ILE 30 8.249 2.886 -1.743 206 H HIS 31 H HIS 31 3.078 -0.162 -2.861 207 HA HIS 31 HA HIS 31 2.408 -1.933 -0.685 208 HB2 HIS 31 1HB HIS 31 1.073 -0.052 -0.597 209 HB3 HIS 31 2HB HIS 31 0.933 0.061 -2.349 210 HD1 HIS 31 HD1 HIS 31 -0.301 -2.209 0.445 211 HD2 HIS 31 HD2 HIS 31 -1.455 -0.797 -3.288 212 HE1 HIS 31 HE1 HIS 31 -2.625 -3.097 0.079 213 H GLN 32 H GLN 32 1.847 -1.803 -4.177 214 HA GLN 32 HA GLN 32 0.143 -3.980 -4.439 215 HB2 GLN 32 1HB GLN 32 2.244 -2.876 -6.298 216 HB3 GLN 32 2HB GLN 32 1.164 -4.184 -6.760 217 HG2 GLN 32 1HG GLN 32 0.351 -1.402 -5.948 218 HG3 GLN 32 2HG GLN 32 0.343 -2.064 -7.582 219 HE21 GLN 32 1HE2 GLN 32 -1.774 -1.012 -5.688 220 HE22 GLN 32 2HE2 GLN 32 -2.999 -2.230 -5.712 221 H ALA 33 H ALA 33 3.441 -3.904 -3.551 222 HA ALA 33 HA ALA 33 4.046 -6.602 -4.379 223 HB1 ALA 33 3HB ALA 33 5.766 -4.815 -4.266 224 HB2 ALA 33 1HB ALA 33 5.603 -4.822 -2.510 225 HB3 ALA 33 2HB ALA 33 6.188 -6.260 -3.348 226 H THR 34 H THR 34 1.966 -5.610 -2.189 227 HA THR 34 HA THR 34 2.759 -7.563 -0.132 228 HB THR 34 HB THR 34 1.269 -6.415 1.408 229 HG1 THR 34 HG1 THR 34 0.364 -4.343 0.591 230 HG21 THR 34 3HG2 THR 34 3.142 -4.562 -0.064 231 HG22 THR 34 1HG2 THR 34 3.520 -5.566 1.334 232 HG23 THR 34 2HG2 THR 34 2.416 -4.201 1.502 233 H HIS 35 H HIS 35 0.207 -6.582 -2.323 234 HA HIS 35 HA HIS 35 -1.805 -8.320 -1.369 235 HB2 HIS 35 1HB HIS 35 -1.337 -6.829 -3.921 236 HB3 HIS 35 2HB HIS 35 -2.604 -8.050 -3.864 237 HD1 HIS 35 HD1 HIS 35 -4.311 -7.648 -1.686 238 HD2 HIS 35 HD2 HIS 35 -2.223 -4.388 -3.193 239 HE1 HIS 35 HE1 HIS 35 -5.556 -5.619 -0.874 240 H SER 36 H SER 36 -0.429 -10.226 -1.003 241 HA SER 36 HA SER 36 0.636 -11.675 -3.220 242 HB2 SER 36 1HB SER 36 0.109 -12.402 -0.339 243 HB3 SER 36 2HB SER 36 0.764 -13.559 -1.497 244 HG SER 36 HG SER 36 2.370 -12.389 -0.270 245 H GLY 37 H GLY 37 -0.881 -12.139 -4.752 246 HA2 GLY 37 1HA GLY 37 -3.523 -12.918 -4.325 247 HA3 GLY 37 2HA GLY 37 -2.587 -13.292 -5.765 248 H GLU 38 H GLU 38 -0.741 -15.034 -5.041 249 HA GLU 38 HA GLU 38 -2.163 -17.441 -4.707 250 HB2 GLU 38 1HB GLU 38 0.155 -16.988 -5.801 251 HB3 GLU 38 2HB GLU 38 0.782 -17.221 -4.175 252 HG2 GLU 38 1HG GLU 38 -0.426 -19.438 -4.164 253 HG3 GLU 38 2HG GLU 38 -0.688 -19.196 -5.891 254 H LYS 39 H LYS 39 -3.140 -18.025 -2.886 255 HA LYS 39 HA LYS 39 -1.732 -17.583 -0.335 256 HB2 LYS 39 1HB LYS 39 -4.012 -17.675 0.709 257 HB3 LYS 39 2HB LYS 39 -3.742 -16.289 -0.339 258 HG2 LYS 39 1HG LYS 39 -4.891 -17.604 -2.163 259 HG3 LYS 39 2HG LYS 39 -5.362 -18.753 -0.909 260 HD2 LYS 39 1HD LYS 39 -6.314 -16.726 0.331 261 HD3 LYS 39 2HD LYS 39 -6.145 -15.866 -1.202 262 HE2 LYS 39 1HE LYS 39 -7.788 -17.086 -2.224 263 HE3 LYS 39 2HE LYS 39 -7.512 -18.506 -1.217 264 HZ1 LYS 39 3HZ LYS 39 -8.585 -17.387 0.620 265 HZ2 LYS 39 1HZ LYS 39 -9.623 -17.421 -0.715 266 HZ3 LYS 39 2HZ LYS 39 -8.811 -15.993 -0.312 267 HA PRO 40 HA PRO 40 -2.041 -22.168 -1.077 268 HB2 PRO 40 1HB PRO 40 0.537 -22.694 -0.409 269 HB3 PRO 40 2HB PRO 40 0.041 -22.246 -2.045 270 HG2 PRO 40 1HG PRO 40 1.246 -20.544 0.103 271 HG3 PRO 40 2HG PRO 40 1.619 -20.588 -1.631 272 HD2 PRO 40 1HD PRO 40 0.043 -18.682 -0.527 273 HD3 PRO 40 2HD PRO 40 -0.196 -19.279 -2.182 274 H SER 41 H SER 41 -1.265 -23.922 0.527 275 HA SER 41 HA SER 41 -2.215 -23.147 3.139 276 HB2 SER 41 1HB SER 41 -2.860 -25.301 2.029 277 HB3 SER 41 2HB SER 41 -1.198 -25.851 2.238 278 HG SER 41 HG SER 41 -2.956 -26.320 3.922 279 H GLY 42 H GLY 42 -1.084 -23.430 5.107 280 HA2 GLY 42 1HA GLY 42 1.165 -24.290 5.984 281 HA3 GLY 42 2HA GLY 42 1.836 -23.193 4.787 282 HA PRO 43 HA PRO 43 -0.276 -20.582 8.311 283 HB2 PRO 43 1HB PRO 43 -0.513 -21.890 10.678 284 HB3 PRO 43 2HB PRO 43 -1.797 -21.862 9.464 285 HG2 PRO 43 1HG PRO 43 0.229 -23.993 10.030 286 HG3 PRO 43 2HG PRO 43 -1.504 -24.158 9.691 287 HD2 PRO 43 1HD PRO 43 0.396 -24.595 7.812 288 HD3 PRO 43 2HD PRO 43 -1.208 -23.944 7.416 289 H SER 44 H SER 44 0.815 -19.377 9.911 290 HA SER 44 HA SER 44 3.646 -19.966 10.083 291 HB2 SER 44 1HB SER 44 3.849 -17.725 11.038 292 HB3 SER 44 2HB SER 44 2.863 -17.674 9.576 293 HG SER 44 HG SER 44 2.160 -16.617 11.737 294 H SER 45 H SER 45 4.825 -19.886 12.102 295 HA SER 45 HA SER 45 3.556 -21.471 14.126 296 HB2 SER 45 1HB SER 45 5.793 -21.245 15.281 297 HB3 SER 45 2HB SER 45 5.860 -21.934 13.659 298 HG SER 45 HG SER 45 7.272 -20.410 13.331 299 H GLY 46 H GLY 46 5.109 -18.255 14.173 300 HA2 GLY 46 1HA GLY 46 4.505 -17.515 16.759 301 HA3 GLY 46 2HA GLY 46 4.636 -16.383 15.421 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -32.078 16.014 1.892 2 HA2 GLY 1 1HA GLY 1 -31.469 17.618 4.275 3 HA3 GLY 1 2HA GLY 1 -30.993 15.927 4.255 4 H SER 2 H SER 2 -30.112 19.083 3.438 5 HA SER 2 HA SER 2 -28.026 18.180 1.584 6 HB2 SER 2 1HB SER 2 -29.003 20.964 2.262 7 HB3 SER 2 2HB SER 2 -27.697 20.609 1.131 8 HG SER 2 HG SER 2 -30.319 19.565 0.872 9 H SER 3 H SER 3 -25.991 17.967 2.233 10 HA SER 3 HA SER 3 -25.137 19.366 4.680 11 HB2 SER 3 1HB SER 3 -23.778 17.374 5.260 12 HB3 SER 3 2HB SER 3 -25.504 17.017 5.227 13 HG SER 3 HG SER 3 -24.535 15.399 4.100 14 H GLY 4 H GLY 4 -24.052 17.720 1.722 15 HA2 GLY 4 1HA GLY 4 -22.626 19.210 0.281 16 HA3 GLY 4 2HA GLY 4 -21.678 19.478 1.736 17 H SER 5 H SER 5 -20.983 18.312 -0.922 18 HA SER 5 HA SER 5 -20.597 15.538 -0.707 19 HB2 SER 5 1HB SER 5 -19.046 15.770 -2.555 20 HB3 SER 5 2HB SER 5 -20.414 16.850 -2.824 21 HG SER 5 HG SER 5 -18.253 17.763 -3.167 22 H SER 6 H SER 6 -19.563 14.623 0.947 23 HA SER 6 HA SER 6 -17.473 15.899 2.401 24 HB2 SER 6 1HB SER 6 -18.718 13.170 2.439 25 HB3 SER 6 2HB SER 6 -17.224 13.461 3.330 26 HG SER 6 HG SER 6 -18.852 13.913 4.732 27 H GLY 7 H GLY 7 -17.480 12.997 0.319 28 HA2 GLY 7 1HA GLY 7 -14.617 12.869 0.248 29 HA3 GLY 7 2HA GLY 7 -15.728 11.906 -0.715 30 H THR 8 H THR 8 -14.064 12.272 -2.384 31 HA THR 8 HA THR 8 -14.839 14.500 -4.055 32 HB THR 8 HB THR 8 -13.047 15.501 -2.689 33 HG1 THR 8 HG1 THR 8 -11.912 15.090 -5.235 34 HG21 THR 8 3HG2 THR 8 -11.066 14.521 -2.277 35 HG22 THR 8 1HG2 THR 8 -10.899 13.944 -3.935 36 HG23 THR 8 2HG2 THR 8 -11.871 13.034 -2.778 37 H GLY 9 H GLY 9 -14.310 14.211 -6.240 38 HA2 GLY 9 1HA GLY 9 -13.579 11.449 -6.904 39 HA3 GLY 9 2HA GLY 9 -14.415 12.576 -7.962 40 H GLU 10 H GLU 10 -11.375 12.853 -6.130 41 HA GLU 10 HA GLU 10 -9.870 12.944 -8.623 42 HB2 GLU 10 1HB GLU 10 -10.244 15.262 -6.772 43 HB3 GLU 10 2HB GLU 10 -8.699 15.062 -7.585 44 HG2 GLU 10 1HG GLU 10 -11.310 15.108 -9.064 45 HG3 GLU 10 2HG GLU 10 -10.386 16.567 -8.707 46 H LYS 11 H LYS 11 -8.206 11.629 -8.354 47 HA LYS 11 HA LYS 11 -6.499 11.832 -6.043 48 HB2 LYS 11 1HB LYS 11 -8.519 10.170 -5.603 49 HB3 LYS 11 2HB LYS 11 -7.511 9.067 -6.530 50 HG2 LYS 11 1HG LYS 11 -5.813 9.083 -4.941 51 HG3 LYS 11 2HG LYS 11 -6.397 10.572 -4.194 52 HD2 LYS 11 1HD LYS 11 -8.031 8.051 -4.185 53 HD3 LYS 11 2HD LYS 11 -6.813 8.374 -2.948 54 HE2 LYS 11 1HE LYS 11 -8.945 10.381 -3.597 55 HE3 LYS 11 2HE LYS 11 -9.255 9.051 -2.483 56 HZ1 LYS 11 3HZ LYS 11 -8.516 10.608 -1.028 57 HZ2 LYS 11 1HZ LYS 11 -7.524 11.383 -2.158 58 HZ3 LYS 11 2HZ LYS 11 -7.020 9.936 -1.442 59 HA PRO 12 HA PRO 12 -3.567 10.765 -9.155 60 HB2 PRO 12 1HB PRO 12 -1.467 10.159 -7.544 61 HB3 PRO 12 2HB PRO 12 -2.011 11.816 -7.830 62 HG2 PRO 12 1HG PRO 12 -2.575 10.011 -5.509 63 HG3 PRO 12 2HG PRO 12 -2.160 11.735 -5.511 64 HD2 PRO 12 1HD PRO 12 -4.701 10.849 -5.217 65 HD3 PRO 12 2HD PRO 12 -4.312 12.382 -6.024 66 H TYR 13 H TYR 13 -3.545 8.591 -6.321 67 HA TYR 13 HA TYR 13 -3.843 6.297 -8.086 68 HB2 TYR 13 1HB TYR 13 -1.503 6.586 -6.191 69 HB3 TYR 13 2HB TYR 13 -1.929 5.111 -7.050 70 HD1 TYR 13 HD2 TYR 13 -1.575 4.927 -9.460 71 HD2 TYR 13 HD1 TYR 13 -0.461 8.443 -7.338 72 HE1 TYR 13 HE2 TYR 13 -0.209 5.644 -11.376 73 HE2 TYR 13 HE1 TYR 13 0.907 9.170 -9.249 74 HH TYR 13 HH TYR 13 2.107 7.959 -11.220 75 H LYS 14 H LYS 14 -4.778 4.527 -7.110 76 HA LYS 14 HA LYS 14 -5.135 4.440 -4.241 77 HB2 LYS 14 1HB LYS 14 -6.952 5.913 -4.780 78 HB3 LYS 14 2HB LYS 14 -7.459 4.888 -6.117 79 HG2 LYS 14 1HG LYS 14 -8.474 3.368 -4.753 80 HG3 LYS 14 2HG LYS 14 -7.406 3.712 -3.390 81 HD2 LYS 14 1HD LYS 14 -9.531 4.572 -2.799 82 HD3 LYS 14 2HD LYS 14 -8.540 5.966 -3.234 83 HE2 LYS 14 1HE LYS 14 -9.607 6.189 -5.331 84 HE3 LYS 14 2HE LYS 14 -10.363 4.602 -5.199 85 HZ1 LYS 14 3HZ LYS 14 -11.042 6.415 -3.062 86 HZ2 LYS 14 1HZ LYS 14 -12.041 5.422 -3.998 87 HZ3 LYS 14 2HZ LYS 14 -11.561 6.932 -4.587 88 H CYS 15 H CYS 15 -5.478 2.398 -3.500 89 HA CYS 15 HA CYS 15 -5.283 0.261 -5.453 90 HB2 CYS 15 1HB CYS 15 -3.851 0.232 -3.448 91 HB3 CYS 15 2HB CYS 15 -5.286 0.155 -2.429 92 H ASN 16 H ASN 16 -7.041 -0.622 -6.297 93 HA ASN 16 HA ASN 16 -9.595 -0.406 -4.924 94 HB2 ASN 16 1HB ASN 16 -10.430 -1.509 -7.083 95 HB3 ASN 16 2HB ASN 16 -9.762 0.115 -7.219 96 HD21 ASN 16 1HD2 ASN 16 -8.532 -3.218 -7.195 97 HD22 ASN 16 2HD2 ASN 16 -7.513 -3.029 -8.578 98 H GLU 17 H GLU 17 -7.703 -2.096 -3.675 99 HA GLU 17 HA GLU 17 -9.080 -4.682 -3.945 100 HB2 GLU 17 1HB GLU 17 -6.123 -4.274 -3.461 101 HB3 GLU 17 2HB GLU 17 -6.951 -5.825 -3.446 102 HG2 GLU 17 1HG GLU 17 -7.044 -4.059 -5.857 103 HG3 GLU 17 2HG GLU 17 -5.669 -5.120 -5.557 104 H CYS 18 H CYS 18 -7.238 -2.498 -1.870 105 HA CYS 18 HA CYS 18 -8.531 -3.749 0.465 106 HB2 CYS 18 1HB CYS 18 -6.572 -3.175 1.796 107 HB3 CYS 18 2HB CYS 18 -6.099 -4.171 0.423 108 H GLY 19 H GLY 19 -7.157 -0.731 -0.819 109 HA2 GLY 19 1HA GLY 19 -8.796 1.173 -0.735 110 HA3 GLY 19 2HA GLY 19 -9.004 0.742 0.956 111 H LYS 20 H LYS 20 -5.916 0.697 -0.705 112 HA LYS 20 HA LYS 20 -4.967 2.766 1.140 113 HB2 LYS 20 1HB LYS 20 -3.693 0.494 -0.297 114 HB3 LYS 20 2HB LYS 20 -2.701 1.913 0.011 115 HG2 LYS 20 1HG LYS 20 -4.225 0.437 2.145 116 HG3 LYS 20 2HG LYS 20 -2.535 0.128 1.739 117 HD2 LYS 20 1HD LYS 20 -3.347 2.929 2.321 118 HD3 LYS 20 2HD LYS 20 -3.224 1.801 3.674 119 HE2 LYS 20 1HE LYS 20 -1.079 2.568 3.637 120 HE3 LYS 20 2HE LYS 20 -0.919 1.227 2.504 121 HZ1 LYS 20 3HZ LYS 20 0.092 3.312 1.707 122 HZ2 LYS 20 1HZ LYS 20 -1.436 4.039 1.705 123 HZ3 LYS 20 2HZ LYS 20 -1.117 2.736 0.674 124 H ALA 21 H ALA 21 -4.698 4.771 0.437 125 HA ALA 21 HA ALA 21 -4.459 5.231 -2.459 126 HB1 ALA 21 3HB ALA 21 -6.099 6.694 -2.129 127 HB2 ALA 21 1HB ALA 21 -5.982 6.516 -0.378 128 HB3 ALA 21 2HB ALA 21 -4.955 7.680 -1.217 129 H PHE 22 H PHE 22 -2.761 6.336 -3.299 130 HA PHE 22 HA PHE 22 -0.723 7.312 -1.409 131 HB2 PHE 22 1HB PHE 22 -0.145 6.032 -4.084 132 HB3 PHE 22 2HB PHE 22 1.021 6.489 -2.846 133 HD1 PHE 22 HD2 PHE 22 -1.826 4.208 -3.521 134 HD2 PHE 22 HD1 PHE 22 1.663 4.969 -1.205 135 HE1 PHE 22 HE2 PHE 22 -1.982 1.953 -2.551 136 HE2 PHE 22 HE1 PHE 22 1.513 2.715 -0.232 137 HZ PHE 22 HZ PHE 22 -0.312 1.203 -0.903 138 H ARG 23 H ARG 23 1.010 8.587 -2.912 139 HA ARG 23 HA ARG 23 -0.584 10.698 -4.182 140 HB2 ARG 23 1HB ARG 23 0.948 11.226 -2.235 141 HB3 ARG 23 2HB ARG 23 2.297 10.866 -3.304 142 HG2 ARG 23 1HG ARG 23 1.478 12.640 -4.839 143 HG3 ARG 23 2HG ARG 23 0.256 13.051 -3.634 144 HD2 ARG 23 1HD ARG 23 2.440 14.404 -3.662 145 HD3 ARG 23 2HD ARG 23 1.842 13.818 -2.110 146 HE ARG 23 HE ARG 23 4.235 12.964 -3.496 147 HH11 ARG 23 1HH1 ARG 23 1.915 12.286 -0.991 148 HH12 ARG 23 2HH1 ARG 23 2.979 11.241 -0.108 149 HH21 ARG 23 1HH2 ARG 23 5.645 11.590 -2.344 150 HH22 ARG 23 2HH2 ARG 23 5.100 10.847 -0.878 151 H ALA 24 H ALA 24 2.075 8.482 -4.723 152 HA ALA 24 HA ALA 24 2.007 9.197 -7.576 153 HB1 ALA 24 3HB ALA 24 4.386 9.024 -7.760 154 HB2 ALA 24 1HB ALA 24 4.018 10.154 -6.456 155 HB3 ALA 24 2HB ALA 24 4.530 8.509 -6.080 156 H ARG 25 H ARG 25 2.932 7.460 -8.973 157 HA ARG 25 HA ARG 25 1.655 5.014 -8.496 158 HB2 ARG 25 1HB ARG 25 2.487 6.062 -10.715 159 HB3 ARG 25 2HB ARG 25 4.013 5.272 -10.339 160 HG2 ARG 25 1HG ARG 25 2.544 3.146 -10.070 161 HG3 ARG 25 2HG ARG 25 1.375 4.061 -11.024 162 HD2 ARG 25 1HD ARG 25 2.527 2.976 -12.685 163 HD3 ARG 25 2HD ARG 25 3.437 4.482 -12.582 164 HE ARG 25 HE ARG 25 4.798 2.930 -10.893 165 HH11 ARG 25 1HH1 ARG 25 3.605 2.321 -14.106 166 HH12 ARG 25 2HH1 ARG 25 4.875 1.212 -14.508 167 HH21 ARG 25 1HH2 ARG 25 6.475 1.473 -11.410 168 HH22 ARG 25 2HH2 ARG 25 6.506 0.730 -12.974 169 H SER 26 H SER 26 5.158 5.699 -8.530 170 HA SER 26 HA SER 26 6.192 3.314 -7.792 171 HB2 SER 26 1HB SER 26 7.021 6.003 -6.673 172 HB3 SER 26 2HB SER 26 8.008 4.542 -6.647 173 HG SER 26 HG SER 26 6.979 5.571 -9.063 174 H SER 27 H SER 27 4.720 5.676 -5.601 175 HA SER 27 HA SER 27 5.232 4.310 -3.201 176 HB2 SER 27 1HB SER 27 3.328 6.438 -4.063 177 HB3 SER 27 2HB SER 27 3.013 5.623 -2.531 178 HG SER 27 HG SER 27 4.427 7.578 -2.541 179 H LEU 28 H LEU 28 2.436 4.218 -5.383 180 HA LEU 28 HA LEU 28 0.903 2.419 -3.835 181 HB2 LEU 28 1HB LEU 28 -0.259 3.663 -5.443 182 HB3 LEU 28 2HB LEU 28 0.871 3.224 -6.723 183 HG LEU 28 HG LEU 28 -0.062 0.816 -6.330 184 HD11 LEU 28 1HD1 LEU 28 -1.878 2.515 -4.764 185 HD12 LEU 28 2HD1 LEU 28 -1.538 0.790 -4.636 186 HD13 LEU 28 3HD1 LEU 28 -2.663 1.377 -5.860 187 HD21 LEU 28 3HD2 LEU 28 -1.318 3.091 -7.810 188 HD22 LEU 28 1HD2 LEU 28 -2.050 1.487 -7.857 189 HD23 LEU 28 2HD2 LEU 28 -0.399 1.720 -8.432 190 H ALA 29 H ALA 29 3.111 1.927 -6.569 191 HA ALA 29 HA ALA 29 2.780 -0.766 -7.017 192 HB1 ALA 29 3HB ALA 29 4.364 -0.284 -8.493 193 HB2 ALA 29 1HB ALA 29 4.744 1.212 -7.640 194 HB3 ALA 29 2HB ALA 29 5.552 -0.290 -7.190 195 H ILE 30 H ILE 30 5.170 0.687 -4.798 196 HA ILE 30 HA ILE 30 6.351 -1.488 -3.723 197 HB ILE 30 HB ILE 30 5.341 0.875 -2.135 198 HG12 ILE 30 1HG1 ILE 30 8.144 0.506 -3.142 199 HG13 ILE 30 2HG1 ILE 30 6.908 1.174 -4.202 200 HG21 ILE 30 1HG2 ILE 30 6.745 0.276 -0.395 201 HG22 ILE 30 2HG2 ILE 30 6.109 -1.282 -0.922 202 HG23 ILE 30 3HG2 ILE 30 7.726 -0.777 -1.413 203 HD11 ILE 30 3HD1 ILE 30 8.222 2.353 -1.836 204 HD12 ILE 30 1HD1 ILE 30 7.711 3.103 -3.348 205 HD13 ILE 30 2HD1 ILE 30 6.523 2.746 -2.094 206 H HIS 31 H HIS 31 3.131 -0.284 -2.883 207 HA HIS 31 HA HIS 31 2.677 -2.271 -0.871 208 HB2 HIS 31 1HB HIS 31 1.442 -0.293 -0.572 209 HB3 HIS 31 2HB HIS 31 0.932 -0.250 -2.257 210 HD1 HIS 31 HD1 HIS 31 0.281 -2.192 0.925 211 HD2 HIS 31 HD2 HIS 31 -1.480 -1.433 -2.760 212 HE1 HIS 31 HE1 HIS 31 -2.019 -3.201 1.059 213 H GLN 32 H GLN 32 1.557 -1.811 -4.213 214 HA GLN 32 HA GLN 32 -0.140 -3.944 -4.486 215 HB2 GLN 32 1HB GLN 32 1.870 -2.972 -6.525 216 HB3 GLN 32 2HB GLN 32 0.459 -3.960 -6.876 217 HG2 GLN 32 1HG GLN 32 -0.881 -2.038 -5.811 218 HG3 GLN 32 2HG GLN 32 0.588 -1.092 -6.045 219 HE21 GLN 32 1HE2 GLN 32 -2.123 -0.950 -7.268 220 HE22 GLN 32 2HE2 GLN 32 -1.846 -0.985 -8.973 221 H ALA 33 H ALA 33 3.237 -4.025 -3.933 222 HA ALA 33 HA ALA 33 3.669 -6.671 -4.985 223 HB1 ALA 33 3HB ALA 33 5.519 -5.145 -4.992 224 HB2 ALA 33 1HB ALA 33 5.380 -4.897 -3.251 225 HB3 ALA 33 2HB ALA 33 5.888 -6.464 -3.882 226 H THR 34 H THR 34 1.750 -5.870 -2.630 227 HA THR 34 HA THR 34 2.658 -7.972 -0.774 228 HB THR 34 HB THR 34 2.385 -5.610 0.138 229 HG1 THR 34 HG1 THR 34 2.395 -7.046 1.739 230 HG21 THR 34 3HG2 THR 34 0.464 -4.531 -0.177 231 HG22 THR 34 1HG2 THR 34 -0.400 -5.802 0.688 232 HG23 THR 34 2HG2 THR 34 -0.175 -5.919 -1.057 233 H HIS 35 H HIS 35 0.175 -6.958 -2.929 234 HA HIS 35 HA HIS 35 -1.827 -8.762 -1.876 235 HB2 HIS 35 1HB HIS 35 -1.706 -6.874 -4.209 236 HB3 HIS 35 2HB HIS 35 -2.998 -8.064 -4.090 237 HD1 HIS 35 HD1 HIS 35 -4.332 -7.921 -1.661 238 HD2 HIS 35 HD2 HIS 35 -2.286 -4.548 -2.964 239 HE1 HIS 35 HE1 HIS 35 -5.308 -6.000 -0.365 240 H SER 36 H SER 36 -0.553 -10.714 -2.029 241 HA SER 36 HA SER 36 0.010 -11.691 -4.721 242 HB2 SER 36 1HB SER 36 0.619 -12.830 -1.985 243 HB3 SER 36 2HB SER 36 1.024 -13.640 -3.499 244 HG SER 36 HG SER 36 1.843 -10.995 -3.211 245 H GLY 37 H GLY 37 -2.069 -12.035 -5.530 246 HA2 GLY 37 1HA GLY 37 -4.176 -13.017 -5.669 247 HA3 GLY 37 2HA GLY 37 -3.182 -14.461 -5.552 248 H GLU 38 H GLU 38 -3.955 -15.856 -4.129 249 HA GLU 38 HA GLU 38 -4.809 -14.891 -1.507 250 HB2 GLU 38 1HB GLU 38 -6.787 -16.493 -1.641 251 HB3 GLU 38 2HB GLU 38 -6.917 -14.998 -2.556 252 HG2 GLU 38 1HG GLU 38 -6.257 -16.211 -4.590 253 HG3 GLU 38 2HG GLU 38 -6.208 -17.707 -3.659 254 H LYS 39 H LYS 39 -3.713 -15.996 -0.042 255 HA LYS 39 HA LYS 39 -2.993 -18.793 -0.631 256 HB2 LYS 39 1HB LYS 39 -1.159 -16.953 -0.385 257 HB3 LYS 39 2HB LYS 39 -1.490 -17.099 1.336 258 HG2 LYS 39 1HG LYS 39 -0.625 -19.216 1.466 259 HG3 LYS 39 2HG LYS 39 -0.942 -19.567 -0.235 260 HD2 LYS 39 1HD LYS 39 1.027 -17.438 0.473 261 HD3 LYS 39 2HD LYS 39 1.504 -19.132 0.611 262 HE2 LYS 39 1HE LYS 39 2.116 -18.734 -1.552 263 HE3 LYS 39 2HE LYS 39 0.452 -19.258 -1.808 264 HZ1 LYS 39 3HZ LYS 39 0.833 -16.416 -1.343 265 HZ2 LYS 39 1HZ LYS 39 -0.192 -17.210 -2.431 266 HZ3 LYS 39 2HZ LYS 39 1.445 -17.009 -2.805 267 HA PRO 40 HA PRO 40 -5.841 -18.732 3.051 268 HB2 PRO 40 1HB PRO 40 -7.411 -20.766 2.174 269 HB3 PRO 40 2HB PRO 40 -7.696 -19.077 1.739 270 HG2 PRO 40 1HG PRO 40 -6.345 -21.236 0.166 271 HG3 PRO 40 2HG PRO 40 -7.510 -20.015 -0.380 272 HD2 PRO 40 1HD PRO 40 -4.844 -19.770 -0.787 273 HD3 PRO 40 2HD PRO 40 -5.904 -18.369 -0.532 274 H SER 41 H SER 41 -6.477 -20.724 4.394 275 HA SER 41 HA SER 41 -4.113 -22.443 4.585 276 HB2 SER 41 1HB SER 41 -4.977 -21.055 6.560 277 HB3 SER 41 2HB SER 41 -6.308 -22.209 6.641 278 HG SER 41 HG SER 41 -4.019 -22.482 7.780 279 H GLY 42 H GLY 42 -4.218 -24.429 3.789 280 HA2 GLY 42 1HA GLY 42 -6.614 -26.031 4.188 281 HA3 GLY 42 2HA GLY 42 -6.182 -25.710 2.515 282 HA PRO 43 HA PRO 43 -2.727 -28.473 4.549 283 HB2 PRO 43 1HB PRO 43 -3.575 -29.911 6.690 284 HB3 PRO 43 2HB PRO 43 -2.818 -28.321 6.840 285 HG2 PRO 43 1HG PRO 43 -5.721 -29.051 6.905 286 HG3 PRO 43 2HG PRO 43 -4.829 -27.918 7.937 287 HD2 PRO 43 1HD PRO 43 -6.360 -27.100 5.859 288 HD3 PRO 43 2HD PRO 43 -4.892 -26.237 6.361 289 H SER 44 H SER 44 -5.886 -29.025 3.658 290 HA SER 44 HA SER 44 -6.472 -31.650 3.750 291 HB2 SER 44 1HB SER 44 -6.633 -30.024 1.202 292 HB3 SER 44 2HB SER 44 -7.613 -31.430 1.617 293 HG SER 44 HG SER 44 -8.874 -29.765 2.182 294 H SER 45 H SER 45 -4.507 -30.281 1.103 295 HA SER 45 HA SER 45 -3.094 -32.861 0.949 296 HB2 SER 45 1HB SER 45 -3.937 -31.105 -1.370 297 HB3 SER 45 2HB SER 45 -2.952 -32.562 -1.503 298 HG SER 45 HG SER 45 -5.238 -32.871 -1.899 299 H GLY 46 H GLY 46 -0.966 -32.652 -0.240 300 HA2 GLY 46 1HA GLY 46 0.316 -30.104 0.536 301 HA3 GLY 46 2HA GLY 46 1.112 -31.668 0.639 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -27.430 6.210 6.591 2 HA2 GLY 1 1HA GLY 1 -28.285 6.053 4.136 3 HA3 GLY 1 2HA GLY 1 -29.846 5.965 4.939 4 H SER 2 H SER 2 -30.494 7.790 6.273 5 HA SER 2 HA SER 2 -30.171 10.241 4.957 6 HB2 SER 2 1HB SER 2 -31.301 11.212 6.983 7 HB3 SER 2 2HB SER 2 -32.150 9.840 6.270 8 HG SER 2 HG SER 2 -31.807 8.721 8.023 9 H SER 3 H SER 3 -27.956 10.669 4.762 10 HA SER 3 HA SER 3 -26.845 12.203 6.898 11 HB2 SER 3 1HB SER 3 -25.732 9.469 6.316 12 HB3 SER 3 2HB SER 3 -24.696 10.754 6.937 13 HG SER 3 HG SER 3 -26.641 10.894 8.530 14 H GLY 4 H GLY 4 -24.566 12.957 6.303 15 HA2 GLY 4 1HA GLY 4 -24.630 13.712 3.491 16 HA3 GLY 4 2HA GLY 4 -23.597 14.403 4.733 17 H SER 5 H SER 5 -23.239 13.076 1.952 18 HA SER 5 HA SER 5 -20.731 11.804 2.634 19 HB2 SER 5 1HB SER 5 -21.232 9.743 1.342 20 HB3 SER 5 2HB SER 5 -22.241 9.899 2.780 21 HG SER 5 HG SER 5 -23.035 10.675 0.168 22 H SER 6 H SER 6 -19.269 11.730 0.918 23 HA SER 6 HA SER 6 -20.105 13.266 -1.452 24 HB2 SER 6 1HB SER 6 -17.546 13.163 0.103 25 HB3 SER 6 2HB SER 6 -17.497 13.581 -1.610 26 HG SER 6 HG SER 6 -18.958 15.276 -1.160 27 H GLY 7 H GLY 7 -19.405 12.620 -3.509 28 HA2 GLY 7 1HA GLY 7 -18.450 9.825 -3.637 29 HA3 GLY 7 2HA GLY 7 -19.633 10.492 -4.753 30 H THR 8 H THR 8 -18.398 12.978 -5.242 31 HA THR 8 HA THR 8 -16.387 12.127 -7.132 32 HB THR 8 HB THR 8 -16.395 14.485 -7.882 33 HG1 THR 8 HG1 THR 8 -18.215 15.743 -6.847 34 HG21 THR 8 3HG2 THR 8 -17.961 13.362 -9.109 35 HG22 THR 8 1HG2 THR 8 -19.022 14.508 -8.292 36 HG23 THR 8 2HG2 THR 8 -18.875 12.858 -7.688 37 H GLY 9 H GLY 9 -14.772 11.460 -5.570 38 HA2 GLY 9 1HA GLY 9 -13.549 13.507 -3.918 39 HA3 GLY 9 2HA GLY 9 -13.054 11.825 -4.036 40 H GLU 10 H GLU 10 -10.889 12.861 -4.036 41 HA GLU 10 HA GLU 10 -9.990 13.174 -6.780 42 HB2 GLU 10 1HB GLU 10 -8.709 15.228 -6.269 43 HB3 GLU 10 2HB GLU 10 -10.448 15.473 -6.176 44 HG2 GLU 10 1HG GLU 10 -10.381 15.398 -3.773 45 HG3 GLU 10 2HG GLU 10 -8.665 14.994 -3.800 46 H LYS 11 H LYS 11 -8.125 12.139 -7.084 47 HA LYS 11 HA LYS 11 -6.013 12.057 -5.194 48 HB2 LYS 11 1HB LYS 11 -6.081 9.597 -4.762 49 HB3 LYS 11 2HB LYS 11 -7.381 10.495 -3.991 50 HG2 LYS 11 1HG LYS 11 -8.712 9.852 -6.143 51 HG3 LYS 11 2HG LYS 11 -7.491 8.584 -6.274 52 HD2 LYS 11 1HD LYS 11 -9.130 7.530 -5.037 53 HD3 LYS 11 2HD LYS 11 -8.073 8.153 -3.768 54 HE2 LYS 11 1HE LYS 11 -10.334 9.839 -4.736 55 HE3 LYS 11 2HE LYS 11 -10.675 8.493 -3.649 56 HZ1 LYS 11 3HZ LYS 11 -8.662 9.621 -2.361 57 HZ2 LYS 11 1HZ LYS 11 -10.273 10.072 -2.109 58 HZ3 LYS 11 2HZ LYS 11 -9.285 10.996 -3.124 59 HA PRO 12 HA PRO 12 -3.877 11.165 -8.938 60 HB2 PRO 12 1HB PRO 12 -1.513 10.326 -7.898 61 HB3 PRO 12 2HB PRO 12 -2.013 12.022 -7.903 62 HG2 PRO 12 1HG PRO 12 -2.156 10.011 -5.690 63 HG3 PRO 12 2HG PRO 12 -1.655 11.710 -5.626 64 HD2 PRO 12 1HD PRO 12 -4.117 10.888 -4.856 65 HD3 PRO 12 2HD PRO 12 -3.827 12.480 -5.585 66 H TYR 13 H TYR 13 -3.477 8.715 -6.375 67 HA TYR 13 HA TYR 13 -4.073 6.635 -8.347 68 HB2 TYR 13 1HB TYR 13 -1.600 6.799 -6.640 69 HB3 TYR 13 2HB TYR 13 -2.207 5.253 -7.223 70 HD1 TYR 13 HD1 TYR 13 -0.777 8.492 -8.239 71 HD2 TYR 13 HD2 TYR 13 -1.960 4.610 -9.517 72 HE1 TYR 13 HE1 TYR 13 0.401 8.841 -10.370 73 HE2 TYR 13 HE2 TYR 13 -0.784 4.948 -11.651 74 HH TYR 13 HH TYR 13 -0.000 7.657 -12.909 75 H LYS 14 H LYS 14 -4.680 4.583 -7.376 76 HA LYS 14 HA LYS 14 -5.238 4.514 -4.542 77 HB2 LYS 14 1HB LYS 14 -7.159 5.783 -5.379 78 HB3 LYS 14 2HB LYS 14 -7.501 4.515 -6.548 79 HG2 LYS 14 1HG LYS 14 -8.227 3.028 -4.908 80 HG3 LYS 14 2HG LYS 14 -7.449 3.937 -3.610 81 HD2 LYS 14 1HD LYS 14 -9.045 5.798 -4.040 82 HD3 LYS 14 2HD LYS 14 -9.870 4.764 -5.209 83 HE2 LYS 14 1HE LYS 14 -10.709 3.370 -3.585 84 HE3 LYS 14 2HE LYS 14 -9.412 3.737 -2.449 85 HZ1 LYS 14 3HZ LYS 14 -11.870 4.720 -2.235 86 HZ2 LYS 14 1HZ LYS 14 -11.154 5.954 -3.145 87 HZ3 LYS 14 2HZ LYS 14 -10.500 5.519 -1.647 88 H CYS 15 H CYS 15 -5.702 2.440 -3.774 89 HA CYS 15 HA CYS 15 -4.881 0.308 -5.562 90 HB2 CYS 15 1HB CYS 15 -4.098 0.626 -3.131 91 HB3 CYS 15 2HB CYS 15 -5.671 -0.018 -2.674 92 H ASN 16 H ASN 16 -6.068 -1.754 -5.603 93 HA ASN 16 HA ASN 16 -8.974 -1.280 -5.598 94 HB2 ASN 16 1HB ASN 16 -8.590 -1.790 -7.797 95 HB3 ASN 16 2HB ASN 16 -7.162 -2.754 -7.436 96 HD21 ASN 16 1HD2 ASN 16 -10.566 -2.899 -6.443 97 HD22 ASN 16 2HD2 ASN 16 -10.804 -4.549 -6.897 98 H GLU 17 H GLU 17 -6.421 -3.204 -4.331 99 HA GLU 17 HA GLU 17 -8.028 -5.439 -3.540 100 HB2 GLU 17 1HB GLU 17 -5.296 -4.539 -2.612 101 HB3 GLU 17 2HB GLU 17 -6.046 -6.070 -2.183 102 HG2 GLU 17 1HG GLU 17 -5.686 -5.339 -5.054 103 HG3 GLU 17 2HG GLU 17 -4.328 -5.965 -4.120 104 H CYS 18 H CYS 18 -6.669 -2.623 -1.853 105 HA CYS 18 HA CYS 18 -8.523 -3.166 0.373 106 HB2 CYS 18 1HB CYS 18 -6.947 -1.864 1.787 107 HB3 CYS 18 2HB CYS 18 -6.221 -3.318 1.110 108 H GLY 19 H GLY 19 -7.198 -0.717 -1.778 109 HA2 GLY 19 1HA GLY 19 -8.588 1.039 -2.626 110 HA3 GLY 19 2HA GLY 19 -9.509 0.983 -1.131 111 H LYS 20 H LYS 20 -6.037 0.911 -1.058 112 HA LYS 20 HA LYS 20 -5.924 3.226 0.595 113 HB2 LYS 20 1HB LYS 20 -4.310 1.473 0.926 114 HB3 LYS 20 2HB LYS 20 -3.766 1.589 -0.742 115 HG2 LYS 20 1HG LYS 20 -2.100 2.718 0.344 116 HG3 LYS 20 2HG LYS 20 -3.185 4.047 -0.073 117 HD2 LYS 20 1HD LYS 20 -3.618 2.674 2.525 118 HD3 LYS 20 2HD LYS 20 -2.210 3.728 2.380 119 HE2 LYS 20 1HE LYS 20 -3.744 5.521 1.550 120 HE3 LYS 20 2HE LYS 20 -5.100 4.460 1.931 121 HZ1 LYS 20 3HZ LYS 20 -3.216 4.839 4.090 122 HZ2 LYS 20 1HZ LYS 20 -4.907 4.865 4.111 123 HZ3 LYS 20 2HZ LYS 20 -4.047 6.240 3.633 124 H ALA 21 H ALA 21 -5.015 5.250 0.167 125 HA ALA 21 HA ALA 21 -4.909 5.955 -2.693 126 HB1 ALA 21 3HB ALA 21 -6.757 6.975 -1.356 127 HB2 ALA 21 1HB ALA 21 -5.531 7.817 -0.408 128 HB3 ALA 21 2HB ALA 21 -5.688 8.142 -2.135 129 H PHE 22 H PHE 22 -2.925 6.319 -3.412 130 HA PHE 22 HA PHE 22 -0.877 7.265 -1.532 131 HB2 PHE 22 1HB PHE 22 -0.505 6.035 -4.270 132 HB3 PHE 22 2HB PHE 22 0.766 6.413 -3.112 133 HD1 PHE 22 HD2 PHE 22 -2.187 4.264 -3.692 134 HD2 PHE 22 HD1 PHE 22 1.362 4.894 -1.429 135 HE1 PHE 22 HE2 PHE 22 -2.412 2.015 -2.721 136 HE2 PHE 22 HE1 PHE 22 1.144 2.645 -0.455 137 HZ PHE 22 HZ PHE 22 -0.746 1.203 -1.099 138 H ARG 23 H ARG 23 0.963 8.419 -3.054 139 HA ARG 23 HA ARG 23 -0.443 10.738 -4.192 140 HB2 ARG 23 1HB ARG 23 2.395 10.586 -3.160 141 HB3 ARG 23 2HB ARG 23 1.543 12.036 -3.673 142 HG2 ARG 23 1HG ARG 23 0.628 10.324 -1.380 143 HG3 ARG 23 2HG ARG 23 1.730 11.690 -1.193 144 HD2 ARG 23 1HD ARG 23 -0.927 11.978 -2.560 145 HD3 ARG 23 2HD ARG 23 -0.770 12.101 -0.808 146 HE ARG 23 HE ARG 23 1.046 13.799 -2.245 147 HH11 ARG 23 1HH1 ARG 23 -2.170 13.506 -0.943 148 HH12 ARG 23 2HH1 ARG 23 -2.411 15.216 -0.807 149 HH21 ARG 23 1HH2 ARG 23 0.740 16.053 -2.070 150 HH22 ARG 23 2HH2 ARG 23 -0.756 16.664 -1.449 151 H ALA 24 H ALA 24 1.882 8.243 -4.844 152 HA ALA 24 HA ALA 24 1.950 9.083 -7.647 153 HB1 ALA 24 3HB ALA 24 4.081 9.605 -6.003 154 HB2 ALA 24 1HB ALA 24 4.531 8.068 -6.744 155 HB3 ALA 24 2HB ALA 24 4.150 9.460 -7.759 156 H ARG 25 H ARG 25 2.945 7.331 -9.040 157 HA ARG 25 HA ARG 25 1.578 4.903 -8.589 158 HB2 ARG 25 1HB ARG 25 2.867 4.090 -10.572 159 HB3 ARG 25 2HB ARG 25 2.013 5.603 -10.841 160 HG2 ARG 25 1HG ARG 25 4.347 6.620 -10.111 161 HG3 ARG 25 2HG ARG 25 4.922 5.061 -10.705 162 HD2 ARG 25 1HD ARG 25 5.014 6.331 -12.620 163 HD3 ARG 25 2HD ARG 25 3.409 5.615 -12.760 164 HE ARG 25 HE ARG 25 2.490 7.700 -12.509 165 HH11 ARG 25 1HH1 ARG 25 5.846 7.801 -11.589 166 HH12 ARG 25 2HH1 ARG 25 5.891 9.527 -11.452 167 HH21 ARG 25 1HH2 ARG 25 2.537 9.973 -12.332 168 HH22 ARG 25 2HH2 ARG 25 4.008 10.762 -11.875 169 H SER 26 H SER 26 5.086 5.557 -8.685 170 HA SER 26 HA SER 26 6.111 3.145 -8.015 171 HB2 SER 26 1HB SER 26 7.286 5.452 -8.319 172 HB3 SER 26 2HB SER 26 7.138 5.569 -6.565 173 HG SER 26 HG SER 26 9.129 4.594 -7.392 174 H SER 27 H SER 27 4.290 5.261 -5.940 175 HA SER 27 HA SER 27 4.966 3.902 -3.502 176 HB2 SER 27 1HB SER 27 2.979 6.029 -4.251 177 HB3 SER 27 2HB SER 27 2.905 5.252 -2.670 178 HG SER 27 HG SER 27 5.331 5.833 -2.754 179 H LEU 28 H LEU 28 2.271 3.852 -5.781 180 HA LEU 28 HA LEU 28 0.664 2.063 -4.252 181 HB2 LEU 28 1HB LEU 28 -0.338 3.531 -5.886 182 HB3 LEU 28 2HB LEU 28 0.610 2.793 -7.176 183 HG LEU 28 HG LEU 28 -0.664 0.619 -6.465 184 HD11 LEU 28 1HD1 LEU 28 -1.926 1.129 -4.637 185 HD12 LEU 28 2HD1 LEU 28 -3.090 1.504 -5.907 186 HD13 LEU 28 3HD1 LEU 28 -2.179 2.802 -5.136 187 HD21 LEU 28 3HD2 LEU 28 -0.794 1.943 -8.621 188 HD22 LEU 28 1HD2 LEU 28 -2.202 2.748 -7.928 189 HD23 LEU 28 2HD2 LEU 28 -2.224 1.004 -8.191 190 H ALA 29 H ALA 29 3.076 1.679 -6.777 191 HA ALA 29 HA ALA 29 2.613 -1.027 -7.380 192 HB1 ALA 29 3HB ALA 29 5.395 -0.431 -7.606 193 HB2 ALA 29 1HB ALA 29 4.190 -0.614 -8.882 194 HB3 ALA 29 2HB ALA 29 4.458 0.964 -8.141 195 H ILE 30 H ILE 30 5.167 0.371 -5.312 196 HA ILE 30 HA ILE 30 6.254 -1.922 -4.296 197 HB ILE 30 HB ILE 30 5.743 0.631 -2.765 198 HG12 ILE 30 1HG1 ILE 30 8.312 -0.188 -4.100 199 HG13 ILE 30 2HG1 ILE 30 7.060 0.672 -4.989 200 HG21 ILE 30 1HG2 ILE 30 6.980 -0.143 -1.055 201 HG22 ILE 30 2HG2 ILE 30 6.530 -1.726 -1.687 202 HG23 ILE 30 3HG2 ILE 30 8.086 -1.016 -2.116 203 HD11 ILE 30 3HD1 ILE 30 7.725 2.605 -4.151 204 HD12 ILE 30 1HD1 ILE 30 7.592 1.995 -2.502 205 HD13 ILE 30 2HD1 ILE 30 9.085 1.760 -3.412 206 H HIS 31 H HIS 31 3.285 -0.321 -3.268 207 HA HIS 31 HA HIS 31 2.829 -1.981 -1.004 208 HB2 HIS 31 1HB HIS 31 1.660 0.019 -0.879 209 HB3 HIS 31 2HB HIS 31 1.184 -0.034 -2.574 210 HD1 HIS 31 HD1 HIS 31 0.526 -2.390 0.353 211 HD2 HIS 31 HD2 HIS 31 -1.490 -0.350 -2.654 212 HE1 HIS 31 HE1 HIS 31 -1.892 -3.031 0.610 213 H GLN 32 H GLN 32 1.358 -1.919 -4.251 214 HA GLN 32 HA GLN 32 -0.342 -4.059 -4.043 215 HB2 GLN 32 1HB GLN 32 1.308 -3.097 -6.372 216 HB3 GLN 32 2HB GLN 32 0.150 -4.412 -6.527 217 HG2 GLN 32 1HG GLN 32 -1.456 -2.631 -5.405 218 HG3 GLN 32 2HG GLN 32 -0.307 -1.512 -6.138 219 HE21 GLN 32 1HE2 GLN 32 -2.107 -0.815 -7.432 220 HE22 GLN 32 2HE2 GLN 32 -2.549 -1.709 -8.843 221 H ALA 33 H ALA 33 3.075 -4.094 -3.941 222 HA ALA 33 HA ALA 33 3.361 -6.863 -4.721 223 HB1 ALA 33 3HB ALA 33 5.251 -5.683 -5.293 224 HB2 ALA 33 1HB ALA 33 5.224 -4.714 -3.819 225 HB3 ALA 33 2HB ALA 33 5.745 -6.398 -3.759 226 H THR 34 H THR 34 1.812 -5.792 -2.242 227 HA THR 34 HA THR 34 3.078 -7.585 -0.275 228 HB THR 34 HB THR 34 1.974 -6.306 1.486 229 HG1 THR 34 HG1 THR 34 0.847 -4.378 0.906 230 HG21 THR 34 3HG2 THR 34 3.271 -4.275 1.345 231 HG22 THR 34 1HG2 THR 34 3.418 -4.446 -0.404 232 HG23 THR 34 2HG2 THR 34 4.212 -5.602 0.665 233 H HIS 35 H HIS 35 0.149 -6.756 -1.970 234 HA HIS 35 HA HIS 35 -1.661 -8.295 -0.442 235 HB2 HIS 35 1HB HIS 35 -1.698 -7.233 -3.255 236 HB3 HIS 35 2HB HIS 35 -2.997 -8.262 -2.658 237 HD1 HIS 35 HD1 HIS 35 -4.325 -7.297 -0.529 238 HD2 HIS 35 HD2 HIS 35 -1.907 -4.600 -2.565 239 HE1 HIS 35 HE1 HIS 35 -5.093 -5.018 0.205 240 H SER 36 H SER 36 0.108 -9.023 -3.441 241 HA SER 36 HA SER 36 -0.868 -11.592 -3.865 242 HB2 SER 36 1HB SER 36 0.443 -10.449 -5.557 243 HB3 SER 36 2HB SER 36 1.861 -10.450 -4.508 244 HG SER 36 HG SER 36 1.671 -12.809 -4.578 245 H GLY 37 H GLY 37 -0.590 -13.489 -2.877 246 HA2 GLY 37 1HA GLY 37 1.735 -14.457 -1.711 247 HA3 GLY 37 2HA GLY 37 0.835 -13.663 -0.427 248 H GLU 38 H GLU 38 -0.087 -15.186 0.776 249 HA GLU 38 HA GLU 38 -1.351 -17.469 -0.587 250 HB2 GLU 38 1HB GLU 38 -0.178 -17.183 2.173 251 HB3 GLU 38 2HB GLU 38 -1.240 -18.516 1.744 252 HG2 GLU 38 1HG GLU 38 0.476 -18.771 -0.247 253 HG3 GLU 38 2HG GLU 38 1.544 -17.955 0.894 254 H LYS 39 H LYS 39 -1.907 -14.704 1.364 255 HA LYS 39 HA LYS 39 -4.738 -15.471 1.625 256 HB2 LYS 39 1HB LYS 39 -3.465 -15.532 3.807 257 HB3 LYS 39 2HB LYS 39 -3.230 -13.798 3.637 258 HG2 LYS 39 1HG LYS 39 -5.652 -13.468 3.656 259 HG3 LYS 39 2HG LYS 39 -5.884 -15.208 3.836 260 HD2 LYS 39 1HD LYS 39 -4.142 -13.783 5.789 261 HD3 LYS 39 2HD LYS 39 -5.893 -13.607 5.928 262 HE2 LYS 39 1HE LYS 39 -5.958 -16.169 5.797 263 HE3 LYS 39 2HE LYS 39 -4.229 -16.097 6.131 264 HZ1 LYS 39 3HZ LYS 39 -4.595 -15.617 8.263 265 HZ2 LYS 39 1HZ LYS 39 -6.183 -16.138 8.000 266 HZ3 LYS 39 2HZ LYS 39 -5.808 -14.491 7.916 267 HA PRO 40 HA PRO 40 -4.371 -11.527 -0.767 268 HB2 PRO 40 1HB PRO 40 -6.278 -12.192 -2.581 269 HB3 PRO 40 2HB PRO 40 -4.582 -12.660 -2.755 270 HG2 PRO 40 1HG PRO 40 -6.897 -14.267 -1.744 271 HG3 PRO 40 2HG PRO 40 -5.591 -14.753 -2.841 272 HD2 PRO 40 1HD PRO 40 -5.600 -15.398 -0.211 273 HD3 PRO 40 2HD PRO 40 -4.102 -15.102 -1.117 274 H SER 41 H SER 41 -5.301 -10.589 1.184 275 HA SER 41 HA SER 41 -8.081 -10.762 1.745 276 HB2 SER 41 1HB SER 41 -6.207 -10.071 3.346 277 HB3 SER 41 2HB SER 41 -6.282 -8.487 2.575 278 HG SER 41 HG SER 41 -8.610 -8.595 3.110 279 H GLY 42 H GLY 42 -9.734 -9.283 1.352 280 HA2 GLY 42 1HA GLY 42 -9.218 -6.951 -0.295 281 HA3 GLY 42 2HA GLY 42 -10.115 -8.235 -1.090 282 HA PRO 43 HA PRO 43 -12.816 -6.475 2.554 283 HB2 PRO 43 1HB PRO 43 -12.139 -3.968 3.347 284 HB3 PRO 43 2HB PRO 43 -11.491 -5.425 4.110 285 HG2 PRO 43 1HG PRO 43 -10.242 -3.654 2.045 286 HG3 PRO 43 2HG PRO 43 -9.510 -4.378 3.489 287 HD2 PRO 43 1HD PRO 43 -9.172 -5.412 1.009 288 HD3 PRO 43 2HD PRO 43 -9.216 -6.424 2.467 289 H SER 44 H SER 44 -14.210 -4.310 2.703 290 HA SER 44 HA SER 44 -15.263 -3.903 0.095 291 HB2 SER 44 1HB SER 44 -15.853 -2.488 2.705 292 HB3 SER 44 2HB SER 44 -16.790 -2.289 1.224 293 HG SER 44 HG SER 44 -17.398 -3.963 2.953 294 H SER 45 H SER 45 -15.481 -1.888 -1.032 295 HA SER 45 HA SER 45 -13.365 0.066 -0.421 296 HB2 SER 45 1HB SER 45 -12.675 0.177 -2.668 297 HB3 SER 45 2HB SER 45 -12.886 -1.549 -2.377 298 HG SER 45 HG SER 45 -14.396 0.198 -3.939 299 H GLY 46 H GLY 46 -13.726 2.123 -1.821 300 HA2 GLY 46 1HA GLY 46 -15.070 3.893 -2.429 301 HA3 GLY 46 2HA GLY 46 -16.406 2.760 -2.572 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -17.436 19.042 -23.363 2 HA2 GLY 1 1HA GLY 1 -16.631 16.974 -21.990 3 HA3 GLY 1 2HA GLY 1 -15.330 17.008 -23.171 4 H SER 2 H SER 2 -16.992 19.678 -21.523 5 HA SER 2 HA SER 2 -14.364 20.591 -20.570 6 HB2 SER 2 1HB SER 2 -15.289 22.824 -20.494 7 HB3 SER 2 2HB SER 2 -15.650 22.126 -22.073 8 HG SER 2 HG SER 2 -17.657 22.509 -21.634 9 H SER 3 H SER 3 -14.012 19.898 -18.559 10 HA SER 3 HA SER 3 -16.236 19.800 -16.657 11 HB2 SER 3 1HB SER 3 -14.928 17.771 -16.771 12 HB3 SER 3 2HB SER 3 -13.431 18.671 -16.527 13 HG SER 3 HG SER 3 -15.468 18.860 -14.610 14 H GLY 4 H GLY 4 -12.826 20.866 -16.674 15 HA2 GLY 4 1HA GLY 4 -12.100 23.016 -15.988 16 HA3 GLY 4 2HA GLY 4 -13.624 23.231 -15.139 17 H SER 5 H SER 5 -10.360 22.282 -14.893 18 HA SER 5 HA SER 5 -10.656 21.953 -12.020 19 HB2 SER 5 1HB SER 5 -9.674 19.820 -11.858 20 HB3 SER 5 2HB SER 5 -10.819 19.658 -13.189 21 HG SER 5 HG SER 5 -8.590 18.836 -13.510 22 H SER 6 H SER 6 -8.688 22.217 -10.859 23 HA SER 6 HA SER 6 -6.713 23.773 -12.356 24 HB2 SER 6 1HB SER 6 -5.949 24.518 -10.104 25 HB3 SER 6 2HB SER 6 -7.648 24.880 -10.408 26 HG SER 6 HG SER 6 -7.792 23.940 -8.498 27 H GLY 7 H GLY 7 -6.574 21.047 -12.815 28 HA2 GLY 7 1HA GLY 7 -4.932 19.442 -12.992 29 HA3 GLY 7 2HA GLY 7 -3.859 20.522 -12.113 30 H THR 8 H THR 8 -6.643 18.369 -11.593 31 HA THR 8 HA THR 8 -6.455 18.099 -8.843 32 HB THR 8 HB THR 8 -7.238 15.902 -10.767 33 HG1 THR 8 HG1 THR 8 -8.527 17.646 -11.231 34 HG21 THR 8 3HG2 THR 8 -7.057 15.960 -7.949 35 HG22 THR 8 1HG2 THR 8 -7.764 14.703 -8.964 36 HG23 THR 8 2HG2 THR 8 -8.772 16.015 -8.354 37 H GLY 9 H GLY 9 -4.886 17.368 -7.575 38 HA2 GLY 9 1HA GLY 9 -3.215 15.144 -8.539 39 HA3 GLY 9 2HA GLY 9 -2.451 16.592 -7.900 40 H GLU 10 H GLU 10 -5.344 14.898 -6.744 41 HA GLU 10 HA GLU 10 -3.880 14.210 -4.288 42 HB2 GLU 10 1HB GLU 10 -6.529 15.613 -4.542 43 HB3 GLU 10 2HB GLU 10 -6.111 14.707 -3.095 44 HG2 GLU 10 1HG GLU 10 -5.503 16.861 -2.545 45 HG3 GLU 10 2HG GLU 10 -3.978 16.152 -3.075 46 H LYS 11 H LYS 11 -4.032 12.130 -3.796 47 HA LYS 11 HA LYS 11 -4.604 9.922 -3.995 48 HB2 LYS 11 1HB LYS 11 -7.136 11.367 -3.317 49 HB3 LYS 11 2HB LYS 11 -7.189 9.635 -3.617 50 HG2 LYS 11 1HG LYS 11 -5.595 9.247 -1.836 51 HG3 LYS 11 2HG LYS 11 -5.445 10.984 -1.565 52 HD2 LYS 11 1HD LYS 11 -8.059 10.823 -1.275 53 HD3 LYS 11 2HD LYS 11 -7.688 9.139 -0.898 54 HE2 LYS 11 1HE LYS 11 -7.612 10.150 1.184 55 HE3 LYS 11 2HE LYS 11 -5.917 10.144 0.701 56 HZ1 LYS 11 3HZ LYS 11 -7.722 12.460 0.289 57 HZ2 LYS 11 1HZ LYS 11 -6.041 12.422 0.109 58 HZ3 LYS 11 2HZ LYS 11 -6.729 12.283 1.647 59 HA PRO 12 HA PRO 12 -6.192 10.561 -8.413 60 HB2 PRO 12 1HB PRO 12 -3.851 10.055 -9.691 61 HB3 PRO 12 2HB PRO 12 -4.338 11.677 -9.184 62 HG2 PRO 12 1HG PRO 12 -2.467 9.758 -7.851 63 HG3 PRO 12 2HG PRO 12 -2.294 11.507 -8.088 64 HD2 PRO 12 1HD PRO 12 -3.091 10.427 -5.736 65 HD3 PRO 12 2HD PRO 12 -3.660 12.011 -6.302 66 H TYR 13 H TYR 13 -4.023 8.237 -6.895 67 HA TYR 13 HA TYR 13 -5.109 6.116 -8.619 68 HB2 TYR 13 1HB TYR 13 -2.516 6.486 -7.197 69 HB3 TYR 13 2HB TYR 13 -3.119 4.844 -7.390 70 HD1 TYR 13 HD2 TYR 13 -3.740 4.102 -9.781 71 HD2 TYR 13 HD1 TYR 13 -1.347 7.516 -8.932 72 HE1 TYR 13 HE2 TYR 13 -2.847 4.039 -12.072 73 HE2 TYR 13 HE1 TYR 13 -0.448 7.463 -11.221 74 HH TYR 13 HH TYR 13 -0.553 4.929 -13.179 75 H LYS 14 H LYS 14 -5.345 3.958 -7.505 76 HA LYS 14 HA LYS 14 -5.864 3.947 -4.685 77 HB2 LYS 14 1HB LYS 14 -7.896 5.076 -5.703 78 HB3 LYS 14 2HB LYS 14 -8.247 3.544 -6.492 79 HG2 LYS 14 1HG LYS 14 -8.737 2.480 -4.489 80 HG3 LYS 14 2HG LYS 14 -7.875 3.682 -3.527 81 HD2 LYS 14 1HD LYS 14 -10.314 4.398 -5.126 82 HD3 LYS 14 2HD LYS 14 -10.439 3.736 -3.495 83 HE2 LYS 14 1HE LYS 14 -9.094 5.568 -2.630 84 HE3 LYS 14 2HE LYS 14 -8.893 6.212 -4.259 85 HZ1 LYS 14 3HZ LYS 14 -10.870 6.872 -2.496 86 HZ2 LYS 14 1HZ LYS 14 -11.641 5.829 -3.582 87 HZ3 LYS 14 2HZ LYS 14 -10.857 7.215 -4.152 88 H CYS 15 H CYS 15 -5.873 1.903 -3.862 89 HA CYS 15 HA CYS 15 -5.122 -0.223 -5.663 90 HB2 CYS 15 1HB CYS 15 -4.140 0.227 -3.333 91 HB3 CYS 15 2HB CYS 15 -5.611 -0.508 -2.704 92 H ASN 16 H ASN 16 -6.573 -1.415 -6.690 93 HA ASN 16 HA ASN 16 -9.322 -1.496 -5.938 94 HB2 ASN 16 1HB ASN 16 -9.593 -3.018 -7.828 95 HB3 ASN 16 2HB ASN 16 -8.585 -1.650 -8.288 96 HD21 ASN 16 1HD2 ASN 16 -8.874 -4.963 -8.302 97 HD22 ASN 16 2HD2 ASN 16 -7.241 -5.374 -8.690 98 H GLU 17 H GLU 17 -6.724 -2.998 -4.614 99 HA GLU 17 HA GLU 17 -8.000 -5.566 -4.123 100 HB2 GLU 17 1HB GLU 17 -5.328 -4.421 -3.310 101 HB3 GLU 17 2HB GLU 17 -5.898 -5.999 -2.786 102 HG2 GLU 17 1HG GLU 17 -4.376 -6.140 -4.697 103 HG3 GLU 17 2HG GLU 17 -5.978 -6.775 -5.068 104 H CYS 18 H CYS 18 -6.620 -2.968 -2.101 105 HA CYS 18 HA CYS 18 -8.445 -3.784 0.055 106 HB2 CYS 18 1HB CYS 18 -6.926 -2.567 1.565 107 HB3 CYS 18 2HB CYS 18 -6.082 -3.824 0.667 108 H GLY 19 H GLY 19 -7.242 -0.963 -1.718 109 HA2 GLY 19 1HA GLY 19 -8.975 0.665 -2.389 110 HA3 GLY 19 2HA GLY 19 -9.614 0.517 -0.759 111 H LYS 20 H LYS 20 -6.189 0.553 -1.167 112 HA LYS 20 HA LYS 20 -6.004 3.002 0.346 113 HB2 LYS 20 1HB LYS 20 -4.489 0.828 0.400 114 HB3 LYS 20 2HB LYS 20 -3.606 1.689 -0.854 115 HG2 LYS 20 1HG LYS 20 -4.252 2.972 1.778 116 HG3 LYS 20 2HG LYS 20 -2.822 1.962 1.556 117 HD2 LYS 20 1HD LYS 20 -1.963 3.423 -0.127 118 HD3 LYS 20 2HD LYS 20 -3.472 4.337 -0.183 119 HE2 LYS 20 1HE LYS 20 -3.101 5.203 2.018 120 HE3 LYS 20 2HE LYS 20 -1.717 4.139 2.259 121 HZ1 LYS 20 3HZ LYS 20 -0.984 5.452 0.055 122 HZ2 LYS 20 1HZ LYS 20 -0.573 5.944 1.621 123 HZ3 LYS 20 2HZ LYS 20 -1.890 6.652 0.830 124 H ALA 21 H ALA 21 -5.781 4.979 -0.462 125 HA ALA 21 HA ALA 21 -5.216 5.266 -3.327 126 HB1 ALA 21 3HB ALA 21 -6.067 7.623 -2.935 127 HB2 ALA 21 1HB ALA 21 -7.246 6.322 -2.769 128 HB3 ALA 21 2HB ALA 21 -6.553 7.073 -1.331 129 H PHE 22 H PHE 22 -3.282 5.930 -3.966 130 HA PHE 22 HA PHE 22 -1.510 7.206 -2.003 131 HB2 PHE 22 1HB PHE 22 -0.769 5.935 -4.644 132 HB3 PHE 22 2HB PHE 22 0.339 6.475 -3.387 133 HD1 PHE 22 HD2 PHE 22 -2.440 4.084 -4.004 134 HD2 PHE 22 HD1 PHE 22 1.067 4.989 -1.769 135 HE1 PHE 22 HE2 PHE 22 -2.517 1.847 -2.983 136 HE2 PHE 22 HE1 PHE 22 0.996 2.753 -0.745 137 HZ PHE 22 HZ PHE 22 -0.798 1.179 -1.351 138 H ARG 23 H ARG 23 0.291 8.506 -3.454 139 HA ARG 23 HA ARG 23 -1.284 10.631 -4.720 140 HB2 ARG 23 1HB ARG 23 0.135 11.258 -2.800 141 HB3 ARG 23 2HB ARG 23 1.551 10.692 -3.675 142 HG2 ARG 23 1HG ARG 23 -0.162 12.743 -4.968 143 HG3 ARG 23 2HG ARG 23 0.872 13.237 -3.625 144 HD2 ARG 23 1HD ARG 23 1.994 11.610 -5.870 145 HD3 ARG 23 2HD ARG 23 1.774 13.348 -6.064 146 HE ARG 23 HE ARG 23 3.122 12.988 -3.676 147 HH11 ARG 23 1HH1 ARG 23 3.657 12.319 -7.050 148 HH12 ARG 23 2HH1 ARG 23 5.380 12.462 -6.939 149 HH21 ARG 23 1HH2 ARG 23 5.389 13.180 -3.517 150 HH22 ARG 23 2HH2 ARG 23 6.364 12.952 -4.929 151 H ALA 24 H ALA 24 1.353 8.399 -5.279 152 HA ALA 24 HA ALA 24 1.243 9.061 -8.131 153 HB1 ALA 24 3HB ALA 24 3.151 10.273 -7.576 154 HB2 ALA 24 1HB ALA 24 3.695 9.068 -6.409 155 HB3 ALA 24 2HB ALA 24 3.796 8.731 -8.138 156 H ARG 25 H ARG 25 2.721 7.367 -9.341 157 HA ARG 25 HA ARG 25 1.539 4.843 -8.933 158 HB2 ARG 25 1HB ARG 25 4.053 5.402 -10.509 159 HB3 ARG 25 2HB ARG 25 2.929 4.069 -10.733 160 HG2 ARG 25 1HG ARG 25 1.355 5.388 -11.769 161 HG3 ARG 25 2HG ARG 25 1.953 6.871 -11.021 162 HD2 ARG 25 1HD ARG 25 3.613 5.324 -12.984 163 HD3 ARG 25 2HD ARG 25 2.413 6.499 -13.521 164 HE ARG 25 HE ARG 25 3.830 7.948 -11.786 165 HH11 ARG 25 1HH1 ARG 25 4.837 5.821 -14.351 166 HH12 ARG 25 2HH1 ARG 25 6.298 6.693 -14.676 167 HH21 ARG 25 1HH2 ARG 25 5.751 9.104 -12.204 168 HH22 ARG 25 2HH2 ARG 25 6.818 8.560 -13.454 169 H SER 26 H SER 26 5.004 5.675 -8.719 170 HA SER 26 HA SER 26 6.062 3.443 -7.675 171 HB2 SER 26 1HB SER 26 7.255 5.634 -8.077 172 HB3 SER 26 2HB SER 26 6.685 6.155 -6.492 173 HG SER 26 HG SER 26 8.178 4.984 -5.599 174 H SER 27 H SER 27 4.406 5.922 -5.738 175 HA SER 27 HA SER 27 4.687 4.680 -3.248 176 HB2 SER 27 1HB SER 27 2.806 6.712 -4.378 177 HB3 SER 27 2HB SER 27 2.444 6.006 -2.803 178 HG SER 27 HG SER 27 5.046 6.896 -3.225 179 H LEU 28 H LEU 28 2.184 4.358 -5.723 180 HA LEU 28 HA LEU 28 0.479 2.672 -4.211 181 HB2 LEU 28 1HB LEU 28 -0.429 3.842 -6.069 182 HB3 LEU 28 2HB LEU 28 0.770 3.158 -7.165 183 HG LEU 28 HG LEU 28 -0.413 0.894 -6.409 184 HD11 LEU 28 1HD1 LEU 28 -2.083 1.508 -4.981 185 HD12 LEU 28 2HD1 LEU 28 -2.952 1.592 -6.512 186 HD13 LEU 28 3HD1 LEU 28 -2.336 3.067 -5.766 187 HD21 LEU 28 3HD2 LEU 28 -0.182 1.525 -8.695 188 HD22 LEU 28 1HD2 LEU 28 -1.346 2.838 -8.512 189 HD23 LEU 28 2HD2 LEU 28 -1.886 1.161 -8.417 190 H ALA 29 H ALA 29 2.934 1.999 -6.691 191 HA ALA 29 HA ALA 29 2.657 -0.758 -6.837 192 HB1 ALA 29 3HB ALA 29 4.732 1.193 -7.514 193 HB2 ALA 29 1HB ALA 29 5.341 -0.429 -7.181 194 HB3 ALA 29 2HB ALA 29 4.121 -0.183 -8.433 195 H ILE 30 H ILE 30 5.049 1.021 -4.870 196 HA ILE 30 HA ILE 30 6.300 -0.906 -3.508 197 HB ILE 30 HB ILE 30 5.112 1.564 -2.240 198 HG12 ILE 30 1HG1 ILE 30 7.971 1.207 -3.080 199 HG13 ILE 30 2HG1 ILE 30 6.757 1.678 -4.264 200 HG21 ILE 30 1HG2 ILE 30 7.577 0.571 -1.086 201 HG22 ILE 30 2HG2 ILE 30 6.066 1.028 -0.301 202 HG23 ILE 30 3HG2 ILE 30 6.264 -0.599 -0.952 203 HD11 ILE 30 3HD1 ILE 30 6.264 3.431 -2.245 204 HD12 ILE 30 1HD1 ILE 30 8.012 3.230 -2.134 205 HD13 ILE 30 2HD1 ILE 30 7.280 3.756 -3.650 206 H HIS 31 H HIS 31 2.971 0.103 -2.917 207 HA HIS 31 HA HIS 31 2.623 -1.661 -0.675 208 HB2 HIS 31 1HB HIS 31 1.232 0.212 -0.568 209 HB3 HIS 31 2HB HIS 31 0.806 0.115 -2.274 210 HD1 HIS 31 HD1 HIS 31 0.112 -1.661 0.997 211 HD2 HIS 31 HD2 HIS 31 -1.513 -1.230 -2.802 212 HE1 HIS 31 HE1 HIS 31 -2.133 -2.791 1.094 213 H GLN 32 H GLN 32 1.674 -1.670 -4.088 214 HA GLN 32 HA GLN 32 0.068 -3.895 -4.181 215 HB2 GLN 32 1HB GLN 32 2.120 -2.954 -6.186 216 HB3 GLN 32 2HB GLN 32 0.934 -4.209 -6.520 217 HG2 GLN 32 1HG GLN 32 0.232 -1.404 -5.694 218 HG3 GLN 32 2HG GLN 32 0.324 -1.954 -7.366 219 HE21 GLN 32 1HE2 GLN 32 -1.940 -1.173 -7.300 220 HE22 GLN 32 2HE2 GLN 32 -3.164 -2.290 -6.812 221 H ALA 33 H ALA 33 3.391 -3.748 -3.408 222 HA ALA 33 HA ALA 33 4.004 -6.476 -4.115 223 HB1 ALA 33 3HB ALA 33 6.165 -6.066 -3.181 224 HB2 ALA 33 1HB ALA 33 5.694 -4.640 -4.106 225 HB3 ALA 33 2HB ALA 33 5.590 -4.623 -2.345 226 H THR 34 H THR 34 1.905 -5.500 -1.993 227 HA THR 34 HA THR 34 2.796 -7.277 0.180 228 HB THR 34 HB THR 34 2.180 -4.792 0.632 229 HG1 THR 34 HG1 THR 34 0.805 -6.670 2.247 230 HG21 THR 34 3HG2 THR 34 0.053 -4.826 -0.600 231 HG22 THR 34 1HG2 THR 34 -0.185 -4.411 1.097 232 HG23 THR 34 2HG2 THR 34 -0.572 -6.033 0.524 233 H HIS 35 H HIS 35 0.186 -6.544 -2.047 234 HA HIS 35 HA HIS 35 -1.661 -8.434 -0.982 235 HB2 HIS 35 1HB HIS 35 -1.483 -6.906 -3.565 236 HB3 HIS 35 2HB HIS 35 -2.718 -8.139 -3.328 237 HD1 HIS 35 HD1 HIS 35 -4.320 -7.699 -1.170 238 HD2 HIS 35 HD2 HIS 35 -2.147 -4.457 -2.595 239 HE1 HIS 35 HE1 HIS 35 -5.444 -5.663 -0.214 240 H SER 36 H SER 36 -1.096 -10.520 -0.890 241 HA SER 36 HA SER 36 -0.057 -11.766 -3.351 242 HB2 SER 36 1HB SER 36 1.661 -11.709 -1.585 243 HB3 SER 36 2HB SER 36 0.565 -12.557 -0.494 244 HG SER 36 HG SER 36 2.055 -13.517 -2.616 245 H GLY 37 H GLY 37 -2.092 -12.382 -4.090 246 HA2 GLY 37 1HA GLY 37 -3.093 -14.829 -2.966 247 HA3 GLY 37 2HA GLY 37 -4.197 -13.481 -2.736 248 H GLU 38 H GLU 38 -5.173 -12.509 -4.552 249 HA GLU 38 HA GLU 38 -5.591 -14.349 -6.734 250 HB2 GLU 38 1HB GLU 38 -7.389 -12.932 -5.614 251 HB3 GLU 38 2HB GLU 38 -6.716 -11.563 -6.488 252 HG2 GLU 38 1HG GLU 38 -7.048 -13.060 -8.578 253 HG3 GLU 38 2HG GLU 38 -8.160 -13.953 -7.541 254 H LYS 39 H LYS 39 -2.959 -13.492 -6.707 255 HA LYS 39 HA LYS 39 -2.850 -11.912 -9.188 256 HB2 LYS 39 1HB LYS 39 -1.322 -11.542 -6.649 257 HB3 LYS 39 2HB LYS 39 -0.509 -11.206 -8.172 258 HG2 LYS 39 1HG LYS 39 -3.177 -9.996 -7.565 259 HG3 LYS 39 2HG LYS 39 -1.690 -9.283 -6.936 260 HD2 LYS 39 1HD LYS 39 -1.846 -9.953 -9.836 261 HD3 LYS 39 2HD LYS 39 -2.696 -8.522 -9.249 262 HE2 LYS 39 1HE LYS 39 -0.362 -8.094 -8.061 263 HE3 LYS 39 2HE LYS 39 0.218 -9.086 -9.398 264 HZ1 LYS 39 3HZ LYS 39 -0.224 -7.483 -10.895 265 HZ2 LYS 39 1HZ LYS 39 -0.099 -6.455 -9.556 266 HZ3 LYS 39 2HZ LYS 39 -1.621 -6.951 -10.102 267 HA PRO 40 HA PRO 40 -0.753 -15.978 -9.807 268 HB2 PRO 40 1HB PRO 40 -1.695 -16.323 -12.329 269 HB3 PRO 40 2HB PRO 40 -2.604 -16.801 -10.891 270 HG2 PRO 40 1HG PRO 40 -2.876 -14.339 -12.572 271 HG3 PRO 40 2HG PRO 40 -4.144 -15.371 -11.888 272 HD2 PRO 40 1HD PRO 40 -3.419 -13.016 -10.766 273 HD3 PRO 40 2HD PRO 40 -3.989 -14.396 -9.805 274 H SER 41 H SER 41 1.025 -16.474 -11.128 275 HA SER 41 HA SER 41 2.502 -14.204 -12.051 276 HB2 SER 41 1HB SER 41 4.210 -15.937 -12.699 277 HB3 SER 41 2HB SER 41 3.720 -15.994 -11.006 278 HG SER 41 HG SER 41 2.498 -17.603 -12.984 279 H GLY 42 H GLY 42 1.619 -13.259 -13.831 280 HA2 GLY 42 1HA GLY 42 1.828 -14.770 -16.320 281 HA3 GLY 42 2HA GLY 42 0.245 -14.117 -15.927 282 HA PRO 43 HA PRO 43 3.255 -10.376 -16.665 283 HB2 PRO 43 1HB PRO 43 5.550 -10.981 -17.981 284 HB3 PRO 43 2HB PRO 43 5.427 -10.975 -16.218 285 HG2 PRO 43 1HG PRO 43 5.318 -13.286 -18.118 286 HG3 PRO 43 2HG PRO 43 6.166 -13.153 -16.566 287 HD2 PRO 43 1HD PRO 43 3.796 -14.435 -16.824 288 HD3 PRO 43 2HD PRO 43 4.258 -13.572 -15.343 289 H SER 44 H SER 44 1.923 -9.555 -18.188 290 HA SER 44 HA SER 44 1.774 -10.748 -20.830 291 HB2 SER 44 1HB SER 44 -0.032 -9.196 -21.243 292 HB3 SER 44 2HB SER 44 -0.261 -9.899 -19.642 293 HG SER 44 HG SER 44 1.107 -7.847 -19.093 294 H SER 45 H SER 45 2.637 -9.940 -22.665 295 HA SER 45 HA SER 45 4.856 -8.256 -22.569 296 HB2 SER 45 1HB SER 45 4.607 -8.152 -25.070 297 HB3 SER 45 2HB SER 45 4.594 -9.786 -24.408 298 HG SER 45 HG SER 45 2.890 -9.076 -26.022 299 H GLY 46 H GLY 46 5.203 -6.109 -23.105 300 HA2 GLY 46 1HA GLY 46 4.455 -3.984 -23.944 301 HA3 GLY 46 2HA GLY 46 2.811 -4.447 -23.533 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -15.131 20.295 5.613 2 HA2 GLY 1 1HA GLY 1 -13.970 19.255 3.816 3 HA3 GLY 1 2HA GLY 1 -13.808 20.976 3.498 4 H SER 2 H SER 2 -11.830 21.150 2.623 5 HA SER 2 HA SER 2 -9.564 20.228 4.255 6 HB2 SER 2 1HB SER 2 -9.736 20.066 1.236 7 HB3 SER 2 2HB SER 2 -8.340 19.618 2.216 8 HG SER 2 HG SER 2 -10.764 18.423 2.865 9 H SER 3 H SER 3 -7.900 21.639 4.470 10 HA SER 3 HA SER 3 -7.898 24.064 2.820 11 HB2 SER 3 1HB SER 3 -7.480 25.433 4.867 12 HB3 SER 3 2HB SER 3 -9.086 24.704 4.831 13 HG SER 3 HG SER 3 -8.019 22.955 6.111 14 H GLY 4 H GLY 4 -5.875 25.126 2.673 15 HA2 GLY 4 1HA GLY 4 -3.601 25.058 2.311 16 HA3 GLY 4 2HA GLY 4 -3.543 24.614 4.011 17 H SER 5 H SER 5 -4.806 22.802 1.232 18 HA SER 5 HA SER 5 -3.519 20.405 2.096 19 HB2 SER 5 1HB SER 5 -4.457 19.412 0.059 20 HB3 SER 5 2HB SER 5 -5.673 20.377 0.895 21 HG SER 5 HG SER 5 -5.475 21.953 -0.625 22 H SER 6 H SER 6 -1.306 21.100 2.165 23 HA SER 6 HA SER 6 0.070 21.950 -0.180 24 HB2 SER 6 1HB SER 6 2.116 21.583 1.154 25 HB3 SER 6 2HB SER 6 0.908 22.500 2.054 26 HG SER 6 HG SER 6 1.815 20.844 3.329 27 H GLY 7 H GLY 7 -0.582 20.358 -1.727 28 HA2 GLY 7 1HA GLY 7 -0.274 18.460 -2.981 29 HA3 GLY 7 2HA GLY 7 1.305 18.366 -2.215 30 H THR 8 H THR 8 -2.055 17.924 -1.103 31 HA THR 8 HA THR 8 -1.266 15.705 0.559 32 HB THR 8 HB THR 8 -3.007 17.240 1.337 33 HG1 THR 8 HG1 THR 8 -3.974 14.608 0.811 34 HG21 THR 8 3HG2 THR 8 -5.121 17.460 0.300 35 HG22 THR 8 1HG2 THR 8 -4.812 16.110 -0.791 36 HG23 THR 8 2HG2 THR 8 -3.939 17.628 -0.997 37 H GLY 9 H GLY 9 -3.167 16.159 -2.399 38 HA2 GLY 9 1HA GLY 9 -2.816 14.362 -4.089 39 HA3 GLY 9 2HA GLY 9 -3.090 13.228 -2.775 40 H GLU 10 H GLU 10 -4.504 14.875 -5.324 41 HA GLU 10 HA GLU 10 -7.181 14.965 -4.235 42 HB2 GLU 10 1HB GLU 10 -6.064 15.509 -6.985 43 HB3 GLU 10 2HB GLU 10 -7.780 15.594 -6.615 44 HG2 GLU 10 1HG GLU 10 -7.040 17.232 -4.750 45 HG3 GLU 10 2HG GLU 10 -5.561 17.366 -5.700 46 H LYS 11 H LYS 11 -6.197 12.415 -4.009 47 HA LYS 11 HA LYS 11 -6.712 10.237 -4.415 48 HB2 LYS 11 1HB LYS 11 -9.089 11.622 -5.639 49 HB3 LYS 11 2HB LYS 11 -8.941 9.869 -5.647 50 HG2 LYS 11 1HG LYS 11 -8.940 9.792 -3.256 51 HG3 LYS 11 2HG LYS 11 -8.857 11.553 -3.153 52 HD2 LYS 11 1HD LYS 11 -11.109 11.088 -2.770 53 HD3 LYS 11 2HD LYS 11 -11.064 11.521 -4.481 54 HE2 LYS 11 1HE LYS 11 -10.741 8.661 -3.711 55 HE3 LYS 11 2HE LYS 11 -12.350 9.379 -3.643 56 HZ1 LYS 11 3HZ LYS 11 -10.904 9.945 -6.072 57 HZ2 LYS 11 1HZ LYS 11 -12.501 9.429 -5.857 58 HZ3 LYS 11 2HZ LYS 11 -11.239 8.303 -5.844 59 HA PRO 12 HA PRO 12 -5.104 10.816 -8.827 60 HB2 PRO 12 1HB PRO 12 -2.505 10.227 -8.308 61 HB3 PRO 12 2HB PRO 12 -3.152 11.870 -8.228 62 HG2 PRO 12 1HG PRO 12 -2.631 9.928 -6.010 63 HG3 PRO 12 2HG PRO 12 -2.291 11.667 -6.077 64 HD2 PRO 12 1HD PRO 12 -4.444 10.653 -4.785 65 HD3 PRO 12 2HD PRO 12 -4.468 12.240 -5.580 66 H TYR 13 H TYR 13 -3.873 8.503 -6.401 67 HA TYR 13 HA TYR 13 -4.418 6.341 -8.329 68 HB2 TYR 13 1HB TYR 13 -2.200 6.553 -6.286 69 HB3 TYR 13 2HB TYR 13 -2.572 5.086 -7.185 70 HD1 TYR 13 HD1 TYR 13 -1.370 8.566 -7.499 71 HD2 TYR 13 HD2 TYR 13 -1.848 4.807 -9.434 72 HE1 TYR 13 HE1 TYR 13 0.083 9.331 -9.331 73 HE2 TYR 13 HE2 TYR 13 -0.396 5.560 -11.270 74 HH TYR 13 HH TYR 13 1.660 7.743 -11.213 75 H LYS 14 H LYS 14 -5.262 4.402 -7.527 76 HA LYS 14 HA LYS 14 -5.921 4.174 -4.716 77 HB2 LYS 14 1HB LYS 14 -7.781 5.520 -5.467 78 HB3 LYS 14 2HB LYS 14 -8.059 4.449 -6.834 79 HG2 LYS 14 1HG LYS 14 -9.690 3.743 -5.401 80 HG3 LYS 14 2HG LYS 14 -8.379 2.645 -4.962 81 HD2 LYS 14 1HD LYS 14 -9.170 3.400 -2.904 82 HD3 LYS 14 2HD LYS 14 -7.764 4.424 -3.204 83 HE2 LYS 14 1HE LYS 14 -9.297 6.005 -2.578 84 HE3 LYS 14 2HE LYS 14 -9.557 5.990 -4.322 85 HZ1 LYS 14 3HZ LYS 14 -11.617 5.908 -2.940 86 HZ2 LYS 14 1HZ LYS 14 -11.155 4.364 -2.427 87 HZ3 LYS 14 2HZ LYS 14 -11.474 4.650 -4.063 88 H CYS 15 H CYS 15 -5.907 2.100 -4.095 89 HA CYS 15 HA CYS 15 -5.450 0.062 -6.095 90 HB2 CYS 15 1HB CYS 15 -4.112 0.118 -4.024 91 HB3 CYS 15 2HB CYS 15 -5.572 -0.156 -3.080 92 H ASN 16 H ASN 16 -7.073 -0.958 -7.049 93 HA ASN 16 HA ASN 16 -9.710 -1.002 -5.870 94 HB2 ASN 16 1HB ASN 16 -10.495 -1.652 -7.955 95 HB3 ASN 16 2HB ASN 16 -9.058 -0.730 -8.389 96 HD21 ASN 16 1HD2 ASN 16 -7.010 -2.142 -8.416 97 HD22 ASN 16 2HD2 ASN 16 -7.162 -3.647 -9.250 98 H GLU 17 H GLU 17 -7.810 -2.412 -4.344 99 HA GLU 17 HA GLU 17 -8.903 -5.134 -4.554 100 HB2 GLU 17 1HB GLU 17 -6.048 -4.456 -3.824 101 HB3 GLU 17 2HB GLU 17 -6.748 -6.067 -3.890 102 HG2 GLU 17 1HG GLU 17 -7.248 -5.514 -6.352 103 HG3 GLU 17 2HG GLU 17 -6.075 -4.217 -6.139 104 H CYS 18 H CYS 18 -7.217 -2.819 -2.448 105 HA CYS 18 HA CYS 18 -8.611 -4.015 -0.146 106 HB2 CYS 18 1HB CYS 18 -6.810 -2.932 1.228 107 HB3 CYS 18 2HB CYS 18 -6.236 -4.196 0.144 108 H GLY 19 H GLY 19 -7.463 -0.900 -1.440 109 HA2 GLY 19 1HA GLY 19 -9.308 0.803 -1.611 110 HA3 GLY 19 2HA GLY 19 -9.645 0.404 0.067 111 H LYS 20 H LYS 20 -6.440 0.726 -1.355 112 HA LYS 20 HA LYS 20 -5.908 2.913 0.529 113 HB2 LYS 20 1HB LYS 20 -4.405 1.047 0.771 114 HB3 LYS 20 2HB LYS 20 -4.058 1.040 -0.953 115 HG2 LYS 20 1HG LYS 20 -2.195 2.080 -0.127 116 HG3 LYS 20 2HG LYS 20 -3.217 3.470 -0.499 117 HD2 LYS 20 1HD LYS 20 -3.451 2.274 2.209 118 HD3 LYS 20 2HD LYS 20 -1.990 3.195 1.845 119 HE2 LYS 20 1HE LYS 20 -3.465 5.066 1.081 120 HE3 LYS 20 2HE LYS 20 -4.845 4.147 1.681 121 HZ1 LYS 20 3HZ LYS 20 -2.597 5.273 3.247 122 HZ2 LYS 20 1HZ LYS 20 -3.673 4.133 3.884 123 HZ3 LYS 20 2HZ LYS 20 -4.242 5.643 3.377 124 H ALA 21 H ALA 21 -4.904 4.827 -0.134 125 HA ALA 21 HA ALA 21 -4.859 5.300 -3.041 126 HB1 ALA 21 3HB ALA 21 -6.825 6.381 -2.307 127 HB2 ALA 21 1HB ALA 21 -6.020 7.047 -0.886 128 HB3 ALA 21 2HB ALA 21 -5.617 7.652 -2.494 129 H PHE 22 H PHE 22 -2.968 6.009 -3.767 130 HA PHE 22 HA PHE 22 -1.064 7.142 -1.831 131 HB2 PHE 22 1HB PHE 22 -0.419 5.921 -4.518 132 HB3 PHE 22 2HB PHE 22 0.713 6.343 -3.238 133 HD1 PHE 22 HD2 PHE 22 -2.314 4.223 -3.754 134 HD2 PHE 22 HD1 PHE 22 1.497 4.651 -1.907 135 HE1 PHE 22 HE2 PHE 22 -2.505 1.947 -2.841 136 HE2 PHE 22 HE1 PHE 22 1.313 2.374 -0.992 137 HZ PHE 22 HZ PHE 22 -0.691 1.020 -1.457 138 H ARG 23 H ARG 23 0.671 8.524 -3.121 139 HA ARG 23 HA ARG 23 -0.858 10.684 -4.345 140 HB2 ARG 23 1HB ARG 23 1.195 12.014 -4.038 141 HB3 ARG 23 2HB ARG 23 0.650 11.282 -2.535 142 HG2 ARG 23 1HG ARG 23 2.384 9.712 -2.536 143 HG3 ARG 23 2HG ARG 23 2.754 9.996 -4.238 144 HD2 ARG 23 1HD ARG 23 3.058 12.122 -2.133 145 HD3 ARG 23 2HD ARG 23 4.353 10.996 -2.537 146 HE ARG 23 HE ARG 23 3.573 12.078 -4.931 147 HH11 ARG 23 1HH1 ARG 23 4.749 13.318 -1.898 148 HH12 ARG 23 2HH1 ARG 23 5.520 14.696 -2.611 149 HH21 ARG 23 1HH2 ARG 23 4.585 13.888 -5.882 150 HH22 ARG 23 2HH2 ARG 23 5.426 15.019 -4.877 151 H ALA 24 H ALA 24 1.764 8.456 -5.090 152 HA ALA 24 HA ALA 24 1.496 9.202 -7.923 153 HB1 ALA 24 3HB ALA 24 3.557 10.194 -6.885 154 HB2 ALA 24 1HB ALA 24 4.140 8.547 -6.641 155 HB3 ALA 24 2HB ALA 24 3.846 9.147 -8.274 156 H ARG 25 H ARG 25 2.575 7.489 -9.350 157 HA ARG 25 HA ARG 25 1.336 5.003 -8.845 158 HB2 ARG 25 1HB ARG 25 1.688 5.720 -11.114 159 HB3 ARG 25 2HB ARG 25 3.425 5.821 -10.865 160 HG2 ARG 25 1HG ARG 25 3.218 3.840 -12.013 161 HG3 ARG 25 2HG ARG 25 3.236 3.287 -10.337 162 HD2 ARG 25 1HD ARG 25 1.486 2.146 -11.546 163 HD3 ARG 25 2HD ARG 25 0.770 3.237 -10.360 164 HE ARG 25 HE ARG 25 0.795 4.748 -12.579 165 HH11 ARG 25 1HH1 ARG 25 -0.291 1.496 -11.977 166 HH12 ARG 25 2HH1 ARG 25 -1.532 1.547 -13.186 167 HH21 ARG 25 1HH2 ARG 25 -0.835 4.828 -14.174 168 HH22 ARG 25 2HH2 ARG 25 -1.839 3.442 -14.435 169 H SER 26 H SER 26 4.804 5.829 -9.028 170 HA SER 26 HA SER 26 5.936 3.453 -8.347 171 HB2 SER 26 1HB SER 26 7.858 4.641 -7.655 172 HB3 SER 26 2HB SER 26 7.073 5.709 -8.819 173 HG SER 26 HG SER 26 6.843 5.872 -5.993 174 H SER 27 H SER 27 4.336 5.720 -6.191 175 HA SER 27 HA SER 27 5.100 4.443 -3.769 176 HB2 SER 27 1HB SER 27 4.068 6.839 -4.246 177 HB3 SER 27 2HB SER 27 2.551 5.992 -3.947 178 HG SER 27 HG SER 27 3.010 5.963 -1.902 179 H LEU 28 H LEU 28 2.449 4.030 -6.018 180 HA LEU 28 HA LEU 28 0.838 2.396 -4.343 181 HB2 LEU 28 1HB LEU 28 -0.198 3.482 -6.180 182 HB3 LEU 28 2HB LEU 28 0.955 2.793 -7.321 183 HG LEU 28 HG LEU 28 -0.046 0.533 -6.756 184 HD11 LEU 28 1HD1 LEU 28 -2.136 0.402 -5.689 185 HD12 LEU 28 2HD1 LEU 28 -2.356 2.151 -5.721 186 HD13 LEU 28 3HD1 LEU 28 -1.149 1.434 -4.654 187 HD21 LEU 28 3HD2 LEU 28 -2.104 2.341 -7.954 188 HD22 LEU 28 1HD2 LEU 28 -1.608 0.723 -8.450 189 HD23 LEU 28 2HD2 LEU 28 -0.553 2.102 -8.761 190 H ALA 29 H ALA 29 3.335 1.724 -6.746 191 HA ALA 29 HA ALA 29 3.065 -1.026 -6.974 192 HB1 ALA 29 3HB ALA 29 5.052 0.943 -7.623 193 HB2 ALA 29 1HB ALA 29 5.821 -0.524 -7.018 194 HB3 ALA 29 2HB ALA 29 4.720 -0.608 -8.394 195 H ILE 30 H ILE 30 5.402 0.650 -4.855 196 HA ILE 30 HA ILE 30 6.482 -1.352 -3.448 197 HB ILE 30 HB ILE 30 5.386 1.181 -2.223 198 HG12 ILE 30 1HG1 ILE 30 8.250 0.665 -2.959 199 HG13 ILE 30 2HG1 ILE 30 7.108 1.215 -4.181 200 HG21 ILE 30 1HG2 ILE 30 6.233 0.590 -0.250 201 HG22 ILE 30 2HG2 ILE 30 6.364 -1.044 -0.900 202 HG23 ILE 30 3HG2 ILE 30 7.745 0.050 -0.979 203 HD11 ILE 30 3HD1 ILE 30 8.468 3.001 -3.072 204 HD12 ILE 30 1HD1 ILE 30 6.722 3.242 -3.029 205 HD13 ILE 30 2HD1 ILE 30 7.568 2.665 -1.593 206 H HIS 31 H HIS 31 3.195 -0.148 -3.006 207 HA HIS 31 HA HIS 31 2.606 -1.774 -0.743 208 HB2 HIS 31 1HB HIS 31 1.174 0.036 -0.881 209 HB3 HIS 31 2HB HIS 31 1.013 -0.090 -2.631 210 HD1 HIS 31 HD1 HIS 31 0.070 -2.319 0.319 211 HD2 HIS 31 HD2 HIS 31 -1.465 -0.917 -3.278 212 HE1 HIS 31 HE1 HIS 31 -2.236 -3.305 0.142 213 H GLN 32 H GLN 32 1.829 -2.045 -4.203 214 HA GLN 32 HA GLN 32 0.314 -4.329 -4.203 215 HB2 GLN 32 1HB GLN 32 2.439 -3.556 -6.209 216 HB3 GLN 32 2HB GLN 32 1.171 -4.743 -6.485 217 HG2 GLN 32 1HG GLN 32 0.549 -1.903 -5.758 218 HG3 GLN 32 2HG GLN 32 0.829 -2.405 -7.425 219 HE21 GLN 32 1HE2 GLN 32 -1.570 -1.453 -5.804 220 HE22 GLN 32 2HE2 GLN 32 -2.808 -2.590 -6.202 221 H ALA 33 H ALA 33 3.624 -4.012 -3.376 222 HA ALA 33 HA ALA 33 4.291 -6.790 -3.821 223 HB1 ALA 33 3HB ALA 33 6.460 -6.250 -3.042 224 HB2 ALA 33 1HB ALA 33 5.925 -4.880 -4.015 225 HB3 ALA 33 2HB ALA 33 5.889 -4.779 -2.254 226 H THR 34 H THR 34 2.160 -5.723 -1.837 227 HA THR 34 HA THR 34 3.123 -7.227 0.509 228 HB THR 34 HB THR 34 1.563 -5.931 1.881 229 HG1 THR 34 HG1 THR 34 0.295 -5.447 -0.263 230 HG21 THR 34 3HG2 THR 34 3.873 -5.108 1.531 231 HG22 THR 34 1HG2 THR 34 2.724 -3.805 1.835 232 HG23 THR 34 2HG2 THR 34 3.291 -4.117 0.194 233 H HIS 35 H HIS 35 0.527 -6.759 -1.781 234 HA HIS 35 HA HIS 35 -1.460 -8.305 -0.551 235 HB2 HIS 35 1HB HIS 35 -0.885 -7.501 -3.378 236 HB3 HIS 35 2HB HIS 35 -2.148 -8.686 -3.058 237 HD1 HIS 35 HD1 HIS 35 -4.045 -7.802 -1.288 238 HD2 HIS 35 HD2 HIS 35 -1.717 -4.929 -3.181 239 HE1 HIS 35 HE1 HIS 35 -5.308 -5.642 -1.038 240 H SER 36 H SER 36 1.056 -9.221 -2.886 241 HA SER 36 HA SER 36 0.545 -11.756 -3.525 242 HB2 SER 36 1HB SER 36 2.904 -12.216 -3.599 243 HB3 SER 36 2HB SER 36 2.684 -10.511 -3.995 244 HG SER 36 HG SER 36 3.587 -9.942 -2.142 245 H GLY 37 H GLY 37 1.787 -10.762 -0.350 246 HA2 GLY 37 1HA GLY 37 1.500 -13.496 0.643 247 HA3 GLY 37 2HA GLY 37 2.239 -12.152 1.500 248 H GLU 38 H GLU 38 -0.336 -14.169 1.510 249 HA GLU 38 HA GLU 38 -2.543 -12.535 2.039 250 HB2 GLU 38 1HB GLU 38 -2.630 -14.992 1.629 251 HB3 GLU 38 2HB GLU 38 -1.966 -15.249 3.236 252 HG2 GLU 38 1HG GLU 38 -4.330 -15.573 3.318 253 HG3 GLU 38 2HG GLU 38 -3.932 -14.094 4.190 254 H LYS 39 H LYS 39 -2.020 -10.815 3.365 255 HA LYS 39 HA LYS 39 -1.471 -11.513 6.175 256 HB2 LYS 39 1HB LYS 39 -0.361 -9.262 6.343 257 HB3 LYS 39 2HB LYS 39 0.492 -10.436 5.349 258 HG2 LYS 39 1HG LYS 39 -0.073 -9.352 3.368 259 HG3 LYS 39 2HG LYS 39 -1.389 -8.452 4.126 260 HD2 LYS 39 1HD LYS 39 0.181 -6.799 4.023 261 HD3 LYS 39 2HD LYS 39 0.604 -7.495 5.589 262 HE2 LYS 39 1HE LYS 39 2.409 -8.722 4.646 263 HE3 LYS 39 2HE LYS 39 1.884 -8.356 3.003 264 HZ1 LYS 39 3HZ LYS 39 3.152 -6.555 4.971 265 HZ2 LYS 39 1HZ LYS 39 2.276 -5.940 3.660 266 HZ3 LYS 39 2HZ LYS 39 3.640 -6.903 3.389 267 HA PRO 40 HA PRO 40 -5.563 -9.378 5.946 268 HB2 PRO 40 1HB PRO 40 -6.746 -10.974 7.796 269 HB3 PRO 40 2HB PRO 40 -6.664 -11.390 6.080 270 HG2 PRO 40 1HG PRO 40 -4.942 -12.330 8.341 271 HG3 PRO 40 2HG PRO 40 -5.634 -13.261 7.000 272 HD2 PRO 40 1HD PRO 40 -3.055 -12.435 7.022 273 HD3 PRO 40 2HD PRO 40 -3.995 -12.592 5.524 274 H SER 41 H SER 41 -3.043 -9.604 8.067 275 HA SER 41 HA SER 41 -4.073 -8.809 10.533 276 HB2 SER 41 1HB SER 41 -1.411 -8.107 9.273 277 HB3 SER 41 2HB SER 41 -1.806 -7.905 10.980 278 HG SER 41 HG SER 41 -2.232 -10.419 9.864 279 H GLY 42 H GLY 42 -5.274 -7.096 10.998 280 HA2 GLY 42 1HA GLY 42 -4.579 -4.469 10.785 281 HA3 GLY 42 2HA GLY 42 -5.379 -4.808 9.258 282 HA PRO 43 HA PRO 43 -8.595 -5.297 12.881 283 HB2 PRO 43 1HB PRO 43 -7.956 -3.911 15.126 284 HB3 PRO 43 2HB PRO 43 -7.512 -5.604 14.884 285 HG2 PRO 43 1HG PRO 43 -5.853 -3.140 14.515 286 HG3 PRO 43 2HG PRO 43 -5.410 -4.685 15.265 287 HD2 PRO 43 1HD PRO 43 -4.697 -4.037 12.734 288 HD3 PRO 43 2HD PRO 43 -5.034 -5.707 13.233 289 H SER 44 H SER 44 -6.748 -2.246 13.035 290 HA SER 44 HA SER 44 -8.864 -0.790 11.757 291 HB2 SER 44 1HB SER 44 -8.237 -0.067 14.627 292 HB3 SER 44 2HB SER 44 -9.431 0.692 13.574 293 HG SER 44 HG SER 44 -9.991 -1.130 15.212 294 H SER 45 H SER 45 -8.312 1.695 11.969 295 HA SER 45 HA SER 45 -5.462 2.206 12.166 296 HB2 SER 45 1HB SER 45 -6.156 1.366 9.766 297 HB3 SER 45 2HB SER 45 -6.745 3.019 9.586 298 HG SER 45 HG SER 45 -4.366 2.320 9.120 299 H GLY 46 H GLY 46 -4.935 4.467 12.135 300 HA2 GLY 46 1HA GLY 46 -7.031 6.432 11.982 301 HA3 GLY 46 2HA GLY 46 -6.515 6.108 13.630 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -14.022 7.678 13.228 2 HA2 GLY 1 1HA GLY 1 -14.532 8.308 16.030 3 HA3 GLY 1 2HA GLY 1 -13.652 6.915 15.418 4 H SER 2 H SER 2 -11.582 6.929 15.947 5 HA SER 2 HA SER 2 -10.286 9.409 16.704 6 HB2 SER 2 1HB SER 2 -8.528 8.050 17.578 7 HB3 SER 2 2HB SER 2 -10.036 7.228 17.978 8 HG SER 2 HG SER 2 -9.230 5.585 16.966 9 H SER 3 H SER 3 -7.953 9.702 15.960 10 HA SER 3 HA SER 3 -6.480 10.181 14.293 11 HB2 SER 3 1HB SER 3 -6.737 7.586 14.058 12 HB3 SER 3 2HB SER 3 -7.625 7.993 12.589 13 HG SER 3 HG SER 3 -5.713 9.284 12.034 14 H GLY 4 H GLY 4 -8.842 11.642 14.349 15 HA2 GLY 4 1HA GLY 4 -10.403 11.859 12.123 16 HA3 GLY 4 2HA GLY 4 -9.844 13.252 13.037 17 H SER 5 H SER 5 -9.812 11.729 10.057 18 HA SER 5 HA SER 5 -7.369 12.176 8.924 19 HB2 SER 5 1HB SER 5 -10.040 12.759 7.620 20 HB3 SER 5 2HB SER 5 -8.522 12.445 6.778 21 HG SER 5 HG SER 5 -10.309 10.691 7.767 22 H SER 6 H SER 6 -6.907 13.949 7.221 23 HA SER 6 HA SER 6 -6.783 16.443 8.642 24 HB2 SER 6 1HB SER 6 -5.817 15.630 5.893 25 HB3 SER 6 2HB SER 6 -5.534 17.219 6.604 26 HG SER 6 HG SER 6 -4.186 16.353 8.054 27 H GLY 7 H GLY 7 -8.151 15.444 5.502 28 HA2 GLY 7 1HA GLY 7 -10.395 17.227 5.875 29 HA3 GLY 7 2HA GLY 7 -9.289 17.728 4.605 30 H THR 8 H THR 8 -9.557 16.900 2.629 31 HA THR 8 HA THR 8 -11.711 15.011 2.212 32 HB THR 8 HB THR 8 -9.932 16.256 0.112 33 HG1 THR 8 HG1 THR 8 -12.007 17.634 0.006 34 HG21 THR 8 3HG2 THR 8 -11.193 15.161 -1.363 35 HG22 THR 8 1HG2 THR 8 -12.665 15.814 -0.646 36 HG23 THR 8 2HG2 THR 8 -11.969 14.318 -0.023 37 H GLY 9 H GLY 9 -8.207 15.150 1.718 38 HA2 GLY 9 1HA GLY 9 -6.676 13.515 1.202 39 HA3 GLY 9 2HA GLY 9 -7.690 12.489 2.206 40 H GLU 10 H GLU 10 -7.138 13.624 -1.084 41 HA GLU 10 HA GLU 10 -8.227 11.087 -2.064 42 HB2 GLU 10 1HB GLU 10 -9.934 12.972 -2.236 43 HB3 GLU 10 2HB GLU 10 -8.863 13.701 -3.423 44 HG2 GLU 10 1HG GLU 10 -9.020 11.400 -4.605 45 HG3 GLU 10 2HG GLU 10 -10.462 11.189 -3.613 46 H LYS 11 H LYS 11 -6.971 10.150 -3.549 47 HA LYS 11 HA LYS 11 -4.893 11.796 -4.839 48 HB2 LYS 11 1HB LYS 11 -4.744 9.156 -3.478 49 HB3 LYS 11 2HB LYS 11 -3.749 9.381 -4.911 50 HG2 LYS 11 1HG LYS 11 -2.408 9.934 -3.046 51 HG3 LYS 11 2HG LYS 11 -2.838 11.456 -3.831 52 HD2 LYS 11 1HD LYS 11 -4.636 11.775 -2.180 53 HD3 LYS 11 2HD LYS 11 -4.153 10.276 -1.383 54 HE2 LYS 11 1HE LYS 11 -1.852 11.330 -1.139 55 HE3 LYS 11 2HE LYS 11 -2.611 12.849 -1.613 56 HZ1 LYS 11 3HZ LYS 11 -4.198 12.468 0.269 57 HZ2 LYS 11 1HZ LYS 11 -2.601 12.784 0.732 58 HZ3 LYS 11 2HZ LYS 11 -3.199 11.203 0.780 59 HA PRO 12 HA PRO 12 -6.262 10.394 -8.765 60 HB2 PRO 12 1HB PRO 12 -3.924 10.134 -10.120 61 HB3 PRO 12 2HB PRO 12 -4.617 11.702 -9.692 62 HG2 PRO 12 1HG PRO 12 -2.441 10.158 -8.334 63 HG3 PRO 12 2HG PRO 12 -2.528 11.894 -8.688 64 HD2 PRO 12 1HD PRO 12 -3.072 10.877 -6.238 65 HD3 PRO 12 2HD PRO 12 -3.882 12.324 -6.873 66 H TYR 13 H TYR 13 -3.740 8.502 -7.199 67 HA TYR 13 HA TYR 13 -4.581 6.138 -8.733 68 HB2 TYR 13 1HB TYR 13 -2.024 6.794 -7.280 69 HB3 TYR 13 2HB TYR 13 -2.418 5.154 -7.783 70 HD1 TYR 13 HD2 TYR 13 -3.014 4.858 -10.311 71 HD2 TYR 13 HD1 TYR 13 -0.879 8.186 -8.740 72 HE1 TYR 13 HE2 TYR 13 -2.100 5.320 -12.547 73 HE2 TYR 13 HE1 TYR 13 0.040 8.658 -10.971 74 HH TYR 13 HH TYR 13 -0.971 6.803 -13.804 75 H LYS 14 H LYS 14 -5.442 4.401 -7.736 76 HA LYS 14 HA LYS 14 -5.428 4.296 -4.806 77 HB2 LYS 14 1HB LYS 14 -7.791 4.575 -6.580 78 HB3 LYS 14 2HB LYS 14 -7.936 3.439 -5.246 79 HG2 LYS 14 1HG LYS 14 -7.878 5.071 -3.663 80 HG3 LYS 14 2HG LYS 14 -6.874 6.141 -4.644 81 HD2 LYS 14 1HD LYS 14 -8.671 6.992 -5.797 82 HD3 LYS 14 2HD LYS 14 -9.651 5.544 -5.550 83 HE2 LYS 14 1HE LYS 14 -9.773 6.166 -3.120 84 HE3 LYS 14 2HE LYS 14 -9.008 7.697 -3.542 85 HZ1 LYS 14 3HZ LYS 14 -11.554 7.582 -3.421 86 HZ2 LYS 14 1HZ LYS 14 -11.458 6.817 -4.927 87 HZ3 LYS 14 2HZ LYS 14 -10.850 8.383 -4.734 88 H CYS 15 H CYS 15 -5.682 2.220 -3.921 89 HA CYS 15 HA CYS 15 -4.835 0.090 -5.689 90 HB2 CYS 15 1HB CYS 15 -4.043 0.609 -3.238 91 HB3 CYS 15 2HB CYS 15 -5.465 -0.328 -2.790 92 H ASN 16 H ASN 16 -6.420 -0.757 -6.905 93 HA ASN 16 HA ASN 16 -9.130 -0.908 -6.228 94 HB2 ASN 16 1HB ASN 16 -8.764 -1.154 -8.499 95 HB3 ASN 16 2HB ASN 16 -7.399 -2.243 -8.269 96 HD21 ASN 16 1HD2 ASN 16 -7.736 -4.401 -8.185 97 HD22 ASN 16 2HD2 ASN 16 -9.278 -5.147 -8.406 98 H GLU 17 H GLU 17 -6.544 -2.625 -4.967 99 HA GLU 17 HA GLU 17 -7.955 -5.093 -4.454 100 HB2 GLU 17 1HB GLU 17 -5.329 -4.088 -3.343 101 HB3 GLU 17 2HB GLU 17 -5.952 -5.725 -3.187 102 HG2 GLU 17 1HG GLU 17 -5.993 -5.661 -5.788 103 HG3 GLU 17 2HG GLU 17 -4.843 -4.342 -5.582 104 H CYS 18 H CYS 18 -6.706 -2.420 -2.457 105 HA CYS 18 HA CYS 18 -8.574 -3.239 -0.335 106 HB2 CYS 18 1HB CYS 18 -7.097 -1.907 1.183 107 HB3 CYS 18 2HB CYS 18 -6.298 -3.290 0.444 108 H GLY 19 H GLY 19 -7.285 -0.431 -2.073 109 HA2 GLY 19 1HA GLY 19 -9.029 1.170 -2.834 110 HA3 GLY 19 2HA GLY 19 -9.677 1.073 -1.203 111 H LYS 20 H LYS 20 -6.318 0.978 -1.180 112 HA LYS 20 HA LYS 20 -6.024 3.360 0.242 113 HB2 LYS 20 1HB LYS 20 -4.091 1.585 -1.218 114 HB3 LYS 20 2HB LYS 20 -3.542 3.081 -0.473 115 HG2 LYS 20 1HG LYS 20 -5.145 1.216 1.186 116 HG3 LYS 20 2HG LYS 20 -3.480 0.771 0.805 117 HD2 LYS 20 1HD LYS 20 -3.118 1.964 2.717 118 HD3 LYS 20 2HD LYS 20 -3.034 3.278 1.542 119 HE2 LYS 20 1HE LYS 20 -5.692 2.582 2.676 120 HE3 LYS 20 2HE LYS 20 -4.546 3.424 3.717 121 HZ1 LYS 20 3HZ LYS 20 -4.703 4.596 1.116 122 HZ2 LYS 20 1HZ LYS 20 -4.885 5.319 2.635 123 HZ3 LYS 20 2HZ LYS 20 -6.209 4.578 1.887 124 H ALA 21 H ALA 21 -4.248 5.026 -0.589 125 HA ALA 21 HA ALA 21 -4.788 5.809 -3.354 126 HB1 ALA 21 3HB ALA 21 -6.084 7.015 -1.165 127 HB2 ALA 21 1HB ALA 21 -4.879 8.167 -1.742 128 HB3 ALA 21 2HB ALA 21 -6.094 7.530 -2.852 129 H PHE 22 H PHE 22 -2.925 6.256 -4.311 130 HA PHE 22 HA PHE 22 -0.717 7.310 -2.668 131 HB2 PHE 22 1HB PHE 22 -0.418 5.618 -5.154 132 HB3 PHE 22 2HB PHE 22 0.850 6.100 -4.031 133 HD1 PHE 22 HD2 PHE 22 -2.361 4.213 -4.119 134 HD2 PHE 22 HD1 PHE 22 1.501 4.634 -2.380 135 HE1 PHE 22 HE2 PHE 22 -2.716 2.143 -2.838 136 HE2 PHE 22 HE1 PHE 22 1.152 2.564 -1.097 137 HZ PHE 22 HZ PHE 22 -0.959 1.316 -1.323 138 H ARG 23 H ARG 23 0.440 9.028 -3.433 139 HA ARG 23 HA ARG 23 -0.787 10.815 -5.193 140 HB2 ARG 23 1HB ARG 23 1.360 12.055 -5.125 141 HB3 ARG 23 2HB ARG 23 0.786 11.588 -3.530 142 HG2 ARG 23 1HG ARG 23 2.350 9.689 -3.547 143 HG3 ARG 23 2HG ARG 23 2.953 10.227 -5.116 144 HD2 ARG 23 1HD ARG 23 3.362 12.481 -3.902 145 HD3 ARG 23 2HD ARG 23 3.242 11.517 -2.431 146 HE ARG 23 HE ARG 23 5.062 10.378 -4.305 147 HH11 ARG 23 1HH1 ARG 23 4.720 12.860 -1.888 148 HH12 ARG 23 2HH1 ARG 23 6.411 12.916 -1.519 149 HH21 ARG 23 1HH2 ARG 23 7.292 10.443 -3.828 150 HH22 ARG 23 2HH2 ARG 23 7.874 11.541 -2.624 151 H ALA 24 H ALA 24 1.732 8.412 -5.734 152 HA ALA 24 HA ALA 24 1.351 8.763 -8.625 153 HB1 ALA 24 3HB ALA 24 3.516 9.825 -7.569 154 HB2 ALA 24 1HB ALA 24 4.095 8.161 -7.640 155 HB3 ALA 24 2HB ALA 24 3.576 8.979 -9.115 156 H ARG 25 H ARG 25 2.600 6.869 -9.782 157 HA ARG 25 HA ARG 25 1.348 4.471 -8.961 158 HB2 ARG 25 1HB ARG 25 3.614 4.796 -10.935 159 HB3 ARG 25 2HB ARG 25 2.509 3.432 -10.824 160 HG2 ARG 25 1HG ARG 25 0.791 4.561 -11.813 161 HG3 ARG 25 2HG ARG 25 1.362 6.136 -11.261 162 HD2 ARG 25 1HD ARG 25 3.037 4.617 -13.195 163 HD3 ARG 25 2HD ARG 25 1.568 5.393 -13.788 164 HE ARG 25 HE ARG 25 2.961 7.280 -12.293 165 HH11 ARG 25 1HH1 ARG 25 3.390 5.433 -15.214 166 HH12 ARG 25 2HH1 ARG 25 4.384 6.628 -15.978 167 HH21 ARG 25 1HH2 ARG 25 4.270 8.860 -13.289 168 HH22 ARG 25 2HH2 ARG 25 4.885 8.577 -14.882 169 H SER 26 H SER 26 4.795 5.380 -9.067 170 HA SER 26 HA SER 26 5.995 3.165 -8.080 171 HB2 SER 26 1HB SER 26 6.549 6.071 -7.508 172 HB3 SER 26 2HB SER 26 7.572 4.794 -6.849 173 HG SER 26 HG SER 26 7.938 5.852 -9.107 174 H SER 27 H SER 27 4.344 5.636 -6.146 175 HA SER 27 HA SER 27 4.887 4.434 -3.636 176 HB2 SER 27 1HB SER 27 2.809 6.440 -4.522 177 HB3 SER 27 2HB SER 27 2.980 5.914 -2.848 178 HG SER 27 HG SER 27 4.353 7.527 -2.815 179 H LEU 28 H LEU 28 2.388 3.999 -6.032 180 HA LEU 28 HA LEU 28 0.603 2.538 -4.344 181 HB2 LEU 28 1HB LEU 28 -0.364 3.599 -6.208 182 HB3 LEU 28 2HB LEU 28 0.827 2.917 -7.314 183 HG LEU 28 HG LEU 28 -0.268 0.643 -6.624 184 HD11 LEU 28 1HD1 LEU 28 -2.860 1.399 -6.476 185 HD12 LEU 28 2HD1 LEU 28 -2.092 2.653 -5.503 186 HD13 LEU 28 3HD1 LEU 28 -1.872 0.954 -5.084 187 HD21 LEU 28 3HD2 LEU 28 -1.898 0.916 -8.467 188 HD22 LEU 28 1HD2 LEU 28 -0.283 1.497 -8.876 189 HD23 LEU 28 2HD2 LEU 28 -1.558 2.647 -8.472 190 H ALA 29 H ALA 29 3.000 1.636 -6.801 191 HA ALA 29 HA ALA 29 2.586 -1.121 -6.786 192 HB1 ALA 29 3HB ALA 29 5.173 -1.071 -7.350 193 HB2 ALA 29 1HB ALA 29 3.957 -0.514 -8.500 194 HB3 ALA 29 2HB ALA 29 4.849 0.653 -7.524 195 H ILE 30 H ILE 30 5.149 0.659 -5.047 196 HA ILE 30 HA ILE 30 6.338 -1.253 -3.600 197 HB ILE 30 HB ILE 30 5.398 1.385 -2.470 198 HG12 ILE 30 1HG1 ILE 30 8.121 0.690 -3.567 199 HG13 ILE 30 2HG1 ILE 30 6.848 1.376 -4.570 200 HG21 ILE 30 1HG2 ILE 30 7.747 -0.209 -1.500 201 HG22 ILE 30 2HG2 ILE 30 6.922 1.135 -0.713 202 HG23 ILE 30 3HG2 ILE 30 6.132 -0.437 -0.831 203 HD11 ILE 30 3HD1 ILE 30 8.626 2.661 -2.680 204 HD12 ILE 30 1HD1 ILE 30 7.662 3.354 -3.984 205 HD13 ILE 30 2HD1 ILE 30 6.933 3.069 -2.403 206 H HIS 31 H HIS 31 3.091 -0.041 -3.039 207 HA HIS 31 HA HIS 31 2.736 -1.530 -0.599 208 HB2 HIS 31 1HB HIS 31 1.456 0.430 -0.661 209 HB3 HIS 31 2HB HIS 31 0.944 0.156 -2.323 210 HD1 HIS 31 HD1 HIS 31 0.406 -1.393 1.108 211 HD2 HIS 31 HD2 HIS 31 -1.537 -0.912 -2.533 212 HE1 HIS 31 HE1 HIS 31 -1.902 -2.333 1.448 213 H GLN 32 H GLN 32 1.609 -1.807 -3.952 214 HA GLN 32 HA GLN 32 -0.074 -3.969 -3.743 215 HB2 GLN 32 1HB GLN 32 1.883 -3.364 -5.966 216 HB3 GLN 32 2HB GLN 32 0.536 -4.488 -6.091 217 HG2 GLN 32 1HG GLN 32 0.159 -1.593 -5.397 218 HG3 GLN 32 2HG GLN 32 0.194 -2.179 -7.059 219 HE21 GLN 32 1HE2 GLN 32 -1.979 -1.275 -7.111 220 HE22 GLN 32 2HE2 GLN 32 -3.300 -2.240 -6.556 221 H ALA 33 H ALA 33 3.319 -3.880 -3.265 222 HA ALA 33 HA ALA 33 3.800 -6.670 -3.757 223 HB1 ALA 33 3HB ALA 33 6.016 -6.258 -3.198 224 HB2 ALA 33 1HB ALA 33 5.482 -4.718 -3.874 225 HB3 ALA 33 2HB ALA 33 5.601 -4.921 -2.125 226 H THR 34 H THR 34 1.899 -5.407 -1.563 227 HA THR 34 HA THR 34 2.859 -7.056 0.677 228 HB THR 34 HB THR 34 1.435 -5.747 2.136 229 HG1 THR 34 HG1 THR 34 -0.075 -4.426 1.383 230 HG21 THR 34 3HG2 THR 34 3.249 -4.220 0.297 231 HG22 THR 34 1HG2 THR 34 3.535 -4.740 1.957 232 HG23 THR 34 2HG2 THR 34 2.419 -3.415 1.627 233 H HIS 35 H HIS 35 0.178 -6.487 -1.498 234 HA HIS 35 HA HIS 35 -1.757 -8.073 -0.208 235 HB2 HIS 35 1HB HIS 35 -1.371 -7.166 -3.047 236 HB3 HIS 35 2HB HIS 35 -2.676 -8.273 -2.630 237 HD1 HIS 35 HD1 HIS 35 -4.211 -7.278 -0.510 238 HD2 HIS 35 HD2 HIS 35 -2.122 -4.582 -2.882 239 HE1 HIS 35 HE1 HIS 35 -5.324 -5.054 -0.139 240 H SER 36 H SER 36 -0.347 -9.855 0.482 241 HA SER 36 HA SER 36 -0.588 -12.082 -1.338 242 HB2 SER 36 1HB SER 36 2.110 -11.041 -0.474 243 HB3 SER 36 2HB SER 36 1.865 -12.708 -0.996 244 HG SER 36 HG SER 36 0.858 -10.716 -2.651 245 H GLY 37 H GLY 37 -1.186 -13.815 -0.211 246 HA2 GLY 37 1HA GLY 37 -0.390 -15.251 1.738 247 HA3 GLY 37 2HA GLY 37 -0.674 -13.805 2.695 248 H GLU 38 H GLU 38 -3.054 -12.902 1.632 249 HA GLU 38 HA GLU 38 -4.895 -14.780 2.821 250 HB2 GLU 38 1HB GLU 38 -5.095 -11.970 1.799 251 HB3 GLU 38 2HB GLU 38 -6.559 -12.897 2.094 252 HG2 GLU 38 1HG GLU 38 -4.414 -12.384 4.141 253 HG3 GLU 38 2HG GLU 38 -5.906 -11.457 3.986 254 H LYS 39 H LYS 39 -6.345 -16.049 1.810 255 HA LYS 39 HA LYS 39 -6.367 -15.978 -1.134 256 HB2 LYS 39 1HB LYS 39 -6.853 -18.291 0.752 257 HB3 LYS 39 2HB LYS 39 -7.025 -18.376 -0.996 258 HG2 LYS 39 1HG LYS 39 -4.611 -17.696 -1.161 259 HG3 LYS 39 2HG LYS 39 -4.510 -17.923 0.587 260 HD2 LYS 39 1HD LYS 39 -5.250 -20.258 0.299 261 HD3 LYS 39 2HD LYS 39 -5.275 -20.017 -1.450 262 HE2 LYS 39 1HE LYS 39 -3.197 -20.933 -1.216 263 HE3 LYS 39 2HE LYS 39 -2.792 -19.228 -1.022 264 HZ1 LYS 39 3HZ LYS 39 -1.998 -21.054 0.685 265 HZ2 LYS 39 1HZ LYS 39 -3.503 -20.723 1.384 266 HZ3 LYS 39 2HZ LYS 39 -2.374 -19.480 1.177 267 HA PRO 40 HA PRO 40 -10.635 -14.829 0.385 268 HB2 PRO 40 1HB PRO 40 -10.876 -12.619 -1.173 269 HB3 PRO 40 2HB PRO 40 -10.149 -12.584 0.437 270 HG2 PRO 40 1HG PRO 40 -8.816 -12.677 -2.241 271 HG3 PRO 40 2HG PRO 40 -8.398 -11.706 -0.817 272 HD2 PRO 40 1HD PRO 40 -7.080 -13.980 -1.468 273 HD3 PRO 40 2HD PRO 40 -7.309 -13.458 0.213 274 H SER 41 H SER 41 -12.535 -14.192 -1.172 275 HA SER 41 HA SER 41 -12.903 -16.301 -2.970 276 HB2 SER 41 1HB SER 41 -14.645 -14.753 -1.811 277 HB3 SER 41 2HB SER 41 -14.428 -13.724 -3.227 278 HG SER 41 HG SER 41 -16.115 -15.529 -3.186 279 H GLY 42 H GLY 42 -11.968 -16.630 -4.869 280 HA2 GLY 42 1HA GLY 42 -12.088 -15.359 -7.167 281 HA3 GLY 42 2HA GLY 42 -10.899 -14.348 -6.358 282 HA PRO 43 HA PRO 43 -8.999 -18.769 -7.104 283 HB2 PRO 43 1HB PRO 43 -10.139 -20.129 -9.159 284 HB3 PRO 43 2HB PRO 43 -10.663 -20.308 -7.480 285 HG2 PRO 43 1HG PRO 43 -11.866 -18.666 -9.675 286 HG3 PRO 43 2HG PRO 43 -12.673 -19.683 -8.468 287 HD2 PRO 43 1HD PRO 43 -12.514 -16.990 -8.232 288 HD3 PRO 43 2HD PRO 43 -12.521 -18.073 -6.825 289 H SER 44 H SER 44 -7.505 -19.453 -8.785 290 HA SER 44 HA SER 44 -7.399 -17.700 -11.135 291 HB2 SER 44 1HB SER 44 -5.933 -16.631 -9.540 292 HB3 SER 44 2HB SER 44 -5.140 -18.164 -9.175 293 HG SER 44 HG SER 44 -4.386 -16.440 -10.951 294 H SER 45 H SER 45 -7.329 -18.945 -12.871 295 HA SER 45 HA SER 45 -7.060 -20.781 -14.206 296 HB2 SER 45 1HB SER 45 -4.691 -19.708 -13.869 297 HB3 SER 45 2HB SER 45 -4.361 -21.181 -12.957 298 HG SER 45 HG SER 45 -4.609 -20.810 -15.656 299 H GLY 46 H GLY 46 -8.457 -21.420 -11.902 300 HA2 GLY 46 1HA GLY 46 -7.533 -23.499 -10.331 301 HA3 GLY 46 2HA GLY 46 -9.215 -23.284 -10.792
Contact the webmaster for help, if required. Friday, March 29, 2024 2:54:04 PM GMT (wattos1)