NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22406 | 2joc | 15159 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 0.203 -6.597 -9.475 2 2H GLY 1 2H GLY 1 1.425 -5.444 -9.276 3 3H GLY 1 3H GLY 1 -0.172 -5.065 -8.865 4 1HA GLY 1 1HA GLY 1 1.118 -5.490 -6.877 5 2HA GLY 1 2HA GLY 1 -0.147 -6.691 -7.086 6 H ALA 2 H ALA 2 0.423 -8.805 -7.778 7 HA ALA 2 HA ALA 2 1.697 -10.692 -7.769 8 1HB ALA 2 1HB ALA 2 3.941 -10.560 -8.709 9 2HB ALA 2 2HB ALA 2 3.920 -8.804 -8.541 10 3HB ALA 2 3HB ALA 2 2.808 -9.597 -9.656 11 H MET 3 H MET 3 4.317 -11.188 -7.000 12 HA MET 3 HA MET 3 4.089 -11.260 -4.197 13 1HB MET 3 1HB MET 3 6.262 -12.253 -4.184 14 2HB MET 3 2HB MET 3 5.425 -12.845 -5.611 15 1HG MET 3 1HG MET 3 7.489 -10.655 -5.556 16 2HG MET 3 2HG MET 3 7.749 -12.315 -6.087 17 1HE MET 3 1HE MET 3 6.853 -8.801 -7.007 18 2HE MET 3 2HE MET 3 5.178 -9.306 -6.789 19 3HE MET 3 3HE MET 3 5.777 -8.908 -8.398 20 H GLY 4 H GLY 4 4.216 -8.564 -5.705 21 1HA GLY 4 1HA GLY 4 6.140 -7.320 -3.843 22 2HA GLY 4 2HA GLY 4 5.997 -6.793 -5.512 23 HA PRO 5 HA PRO 5 3.746 -3.720 -2.725 24 1HB PRO 5 1HB PRO 5 3.978 -2.610 -5.502 25 2HB PRO 5 2HB PRO 5 4.079 -1.771 -3.950 26 1HG PRO 5 1HG PRO 5 6.275 -2.486 -5.363 27 2HG PRO 5 2HG PRO 5 6.255 -2.410 -3.593 28 1HD PRO 5 1HD PRO 5 6.457 -4.746 -5.332 29 2HD PRO 5 2HD PRO 5 6.715 -4.627 -3.582 30 H LEU 6 H LEU 6 1.637 -2.828 -2.984 31 HA LEU 6 HA LEU 6 -0.585 -3.298 -3.151 32 1HB LEU 6 1HB LEU 6 -0.231 -3.326 -6.118 33 2HB LEU 6 2HB LEU 6 -1.490 -2.575 -5.165 34 HG LEU 6 HG LEU 6 0.010 -0.810 -4.480 35 1HD1 LEU 6 1HD1 LEU 6 2.045 -2.483 -5.883 36 2HD1 LEU 6 2HD1 LEU 6 2.048 -1.811 -4.247 37 3HD1 LEU 6 3HD1 LEU 6 2.280 -0.747 -5.639 38 1HD2 LEU 6 1HD2 LEU 6 0.541 0.159 -6.747 39 2HD2 LEU 6 2HD2 LEU 6 -1.131 -0.349 -6.526 40 3HD2 LEU 6 3HD2 LEU 6 -0.018 -1.360 -7.447 41 HA PRO 7 HA PRO 7 -0.092 -7.722 -4.067 42 1HB PRO 7 1HB PRO 7 -0.959 -8.018 -1.308 43 2HB PRO 7 2HB PRO 7 0.486 -8.681 -2.088 44 1HG PRO 7 1HG PRO 7 0.674 -6.687 -0.299 45 2HG PRO 7 2HG PRO 7 1.722 -6.736 -1.731 46 1HD PRO 7 1HD PRO 7 -0.805 -5.162 -1.305 47 2HD PRO 7 2HD PRO 7 0.746 -4.590 -1.953 48 HA PRO 8 HA PRO 8 -4.643 -8.280 -2.820 49 1HB PRO 8 1HB PRO 8 -5.455 -6.257 -0.990 50 2HB PRO 8 2HB PRO 8 -5.148 -7.956 -0.624 51 1HG PRO 8 1HG PRO 8 -3.654 -5.762 0.252 52 2HG PRO 8 2HG PRO 8 -3.156 -7.454 0.315 53 1HD PRO 8 1HD PRO 8 -2.348 -5.350 -1.629 54 2HD PRO 8 2HD PRO 8 -1.471 -6.741 -1.034 55 H GLY 9 H GLY 9 -3.989 -6.739 -4.991 56 1HA GLY 9 1HA GLY 9 -4.764 -5.069 -6.424 57 2HA GLY 9 2HA GLY 9 -6.328 -5.394 -5.671 58 H TRP 10 H TRP 10 -3.265 -3.803 -4.960 59 HA TRP 10 HA TRP 10 -4.692 -1.719 -3.428 60 1HB TRP 10 1HB TRP 10 -2.075 -3.125 -3.096 61 2HB TRP 10 2HB TRP 10 -2.299 -1.543 -2.379 62 HD1 TRP 10 HD1 TRP 10 -4.458 -4.657 -2.628 63 HE1 TRP 10 HE1 TRP 10 -5.411 -5.258 -0.314 64 HE3 TRP 10 HE3 TRP 10 -2.287 -0.963 0.080 65 HZ2 TRP 10 HZ2 TRP 10 -5.175 -4.333 2.324 66 HZ3 TRP 10 HZ3 TRP 10 -2.624 -0.947 2.516 67 HH2 TRP 10 HH2 TRP 10 -4.040 -2.575 3.582 68 H GLU 11 H GLU 11 -4.007 0.427 -3.538 69 HA GLU 11 HA GLU 11 -2.466 1.066 -5.949 70 1HB GLU 11 1HB GLU 11 -4.673 2.179 -5.644 71 2HB GLU 11 2HB GLU 11 -4.058 2.925 -4.175 72 1HG GLU 11 1HG GLU 11 -3.113 3.370 -6.992 73 2HG GLU 11 2HG GLU 11 -3.898 4.517 -5.920 74 H LYS 12 H LYS 12 -0.422 0.767 -5.328 75 HA LYS 12 HA LYS 12 0.577 2.324 -3.036 76 1HB LYS 12 1HB LYS 12 1.461 -0.359 -4.059 77 2HB LYS 12 2HB LYS 12 2.494 0.615 -3.045 78 1HG LYS 12 1HG LYS 12 1.379 -1.045 -1.748 79 2HG LYS 12 2HG LYS 12 0.809 0.547 -1.275 80 1HD LYS 12 1HD LYS 12 -0.914 -0.453 -3.328 81 2HD LYS 12 2HD LYS 12 -0.708 -1.686 -2.086 82 1HE LYS 12 1HE LYS 12 -1.349 -0.226 -0.377 83 2HE LYS 12 2HE LYS 12 -1.302 1.179 -1.438 84 1HZ LYS 12 1HZ LYS 12 -3.553 0.671 -1.216 85 2HZ LYS 12 2HZ LYS 12 -3.306 -0.994 -1.361 86 3HZ LYS 12 3HZ LYS 12 -3.142 0.003 -2.714 87 H ARG 13 H ARG 13 2.593 3.283 -3.251 88 HA ARG 13 HA ARG 13 3.850 3.302 -5.872 89 1HB ARG 13 1HB ARG 13 3.518 5.526 -6.427 90 2HB ARG 13 2HB ARG 13 1.953 5.065 -5.774 91 1HG ARG 13 1HG ARG 13 2.745 6.021 -3.568 92 2HG ARG 13 2HG ARG 13 4.094 6.715 -4.471 93 1HD ARG 13 1HD ARG 13 1.159 7.288 -4.742 94 2HD ARG 13 2HD ARG 13 2.472 8.413 -4.399 95 HE ARG 13 HE ARG 13 3.007 8.457 -6.664 96 1HH1 ARG 13 1HH1 ARG 13 0.465 6.168 -6.008 97 2HH1 ARG 13 2HH1 ARG 13 0.001 6.009 -7.670 98 1HH2 ARG 13 1HH2 ARG 13 2.400 8.256 -8.858 99 2HH2 ARG 13 2HH2 ARG 13 1.101 7.195 -9.289 100 H THR 14 H THR 14 5.964 4.079 -5.882 101 HA THR 14 HA THR 14 7.090 4.545 -3.201 102 HB THR 14 HB THR 14 8.326 3.078 -5.532 103 HG1 THR 14 HG1 THR 14 7.585 1.392 -4.506 104 1HG2 THR 14 1HG2 THR 14 10.266 2.724 -4.092 105 2HG2 THR 14 2HG2 THR 14 9.530 3.718 -2.835 106 3HG2 THR 14 3HG2 THR 14 10.006 4.445 -4.371 107 H ASP 15 H ASP 15 7.140 6.765 -3.269 108 HA ASP 15 HA ASP 15 8.503 8.110 -5.463 109 1HB ASP 15 1HB ASP 15 6.556 9.242 -4.618 110 2HB ASP 15 2HB ASP 15 7.120 9.101 -2.955 111 H SER 16 H SER 16 10.489 9.278 -5.166 112 HA SER 16 HA SER 16 12.437 7.969 -3.657 113 1HB SER 16 1HB SER 16 13.865 9.994 -4.007 114 2HB SER 16 2HB SER 16 13.071 9.477 -5.493 115 HG SER 16 HG SER 16 12.800 11.662 -5.359 116 H ASN 17 H ASN 17 10.093 10.231 -2.377 117 HA ASN 17 HA ASN 17 11.434 10.911 -0.048 118 1HB ASN 17 1HB ASN 17 8.894 11.130 -0.310 119 2HB ASN 17 2HB ASN 17 8.782 9.384 -0.101 120 1HD2 ASN 17 1HD2 ASN 17 7.537 9.544 1.741 121 2HD2 ASN 17 2HD2 ASN 17 8.178 10.081 3.253 122 H GLY 18 H GLY 18 10.818 8.391 -1.916 123 1HA GLY 18 1HA GLY 18 11.391 6.291 -2.251 124 2HA GLY 18 2HA GLY 18 12.849 6.705 -1.392 125 H ARG 19 H ARG 19 9.479 6.219 -0.799 126 HA ARG 19 HA ARG 19 9.972 4.099 1.176 127 1HB ARG 19 1HB ARG 19 9.420 6.529 2.113 128 2HB ARG 19 2HB ARG 19 7.784 6.033 1.705 129 1HG ARG 19 1HG ARG 19 8.392 5.605 4.057 130 2HG ARG 19 2HG ARG 19 7.891 4.165 3.169 131 1HD ARG 19 1HD ARG 19 9.845 3.710 4.562 132 2HD ARG 19 2HD ARG 19 10.229 3.542 2.850 133 HE ARG 19 HE ARG 19 10.880 6.135 3.525 134 1HH1 ARG 19 1HH1 ARG 19 11.838 2.935 4.511 135 2HH1 ARG 19 2HH1 ARG 19 13.447 3.410 4.942 136 1HH2 ARG 19 1HH2 ARG 19 12.996 6.769 4.086 137 2HH2 ARG 19 2HH2 ARG 19 14.106 5.589 4.700 138 H VAL 20 H VAL 20 8.212 2.659 1.426 139 HA VAL 20 HA VAL 20 6.492 2.543 -0.946 140 HB VAL 20 HB VAL 20 6.964 0.386 1.109 141 1HG1 VAL 20 1HG1 VAL 20 4.876 0.169 -0.149 142 2HG1 VAL 20 2HG1 VAL 20 6.021 -1.106 -0.563 143 3HG1 VAL 20 3HG1 VAL 20 5.780 0.254 -1.660 144 1HG2 VAL 20 1HG2 VAL 20 9.054 0.945 -0.007 145 2HG2 VAL 20 2HG2 VAL 20 8.274 0.779 -1.580 146 3HG2 VAL 20 3HG2 VAL 20 8.469 -0.631 -0.539 147 H TYR 21 H TYR 21 4.507 3.319 -0.743 148 HA TYR 21 HA TYR 21 3.191 3.117 1.876 149 1HB TYR 21 1HB TYR 21 2.572 5.246 1.794 150 2HB TYR 21 2HB TYR 21 3.788 5.423 0.538 151 HD1 TYR 21 HD1 TYR 21 0.216 4.331 0.814 152 HD2 TYR 21 HD2 TYR 21 3.132 6.535 -1.371 153 HE1 TYR 21 HE1 TYR 21 -1.520 5.067 -0.757 154 HE2 TYR 21 HE2 TYR 21 1.394 7.276 -2.945 155 HH TYR 21 HH TYR 21 -0.830 6.517 -3.727 156 H PHE 22 H PHE 22 0.908 2.804 1.927 157 HA PHE 22 HA PHE 22 -0.145 1.490 -0.467 158 1HB PHE 22 1HB PHE 22 -0.081 0.466 2.355 159 2HB PHE 22 2HB PHE 22 -1.330 -0.070 1.235 160 HD1 PHE 22 HD1 PHE 22 2.301 0.600 0.942 161 HD2 PHE 22 HD2 PHE 22 -0.862 -2.224 0.423 162 HE1 PHE 22 HE1 PHE 22 3.879 -1.012 -0.013 163 HE2 PHE 22 HE2 PHE 22 0.717 -3.804 -0.538 164 HZ PHE 22 HZ PHE 22 3.062 -3.192 -0.748 165 H VAL 23 H VAL 23 -1.955 2.383 -1.132 166 HA VAL 23 HA VAL 23 -3.704 3.604 0.888 167 HB VAL 23 HB VAL 23 -2.840 5.216 -0.810 168 1HG1 VAL 23 1HG1 VAL 23 -2.716 3.780 -2.743 169 2HG1 VAL 23 2HG1 VAL 23 -3.788 5.135 -3.080 170 3HG1 VAL 23 3HG1 VAL 23 -4.462 3.547 -2.722 171 1HG2 VAL 23 1HG2 VAL 23 -5.811 4.712 -0.818 172 2HG2 VAL 23 2HG2 VAL 23 -5.032 6.218 -1.305 173 3HG2 VAL 23 3HG2 VAL 23 -4.908 5.660 0.363 174 H ASN 24 H ASN 24 -4.979 1.971 1.425 175 HA ASN 24 HA ASN 24 -6.362 0.489 -0.704 176 1HB ASN 24 1HB ASN 24 -5.203 -0.875 1.023 177 2HB ASN 24 2HB ASN 24 -6.183 -0.105 2.267 178 1HD2 ASN 24 1HD2 ASN 24 -7.398 -0.960 -0.888 179 2HD2 ASN 24 2HD2 ASN 24 -8.447 -2.226 -0.357 180 H HIS 25 H HIS 25 -8.447 1.080 -1.123 181 HA HIS 25 HA HIS 25 -9.682 2.722 0.976 182 1HB HIS 25 1HB HIS 25 -10.959 3.790 -0.962 183 2HB HIS 25 2HB HIS 25 -9.256 4.202 -0.783 184 HD1 HIS 25 HD1 HIS 25 -9.609 4.847 -3.406 185 HD2 HIS 25 HD2 HIS 25 -9.607 0.804 -2.444 186 HE1 HIS 25 HE1 HIS 25 -9.194 3.639 -5.572 187 HE2 HIS 25 HE2 HIS 25 -9.089 1.203 -4.945 188 H ASN 26 H ASN 26 -10.563 0.811 1.827 189 HA ASN 26 HA ASN 26 -12.899 -0.255 0.424 190 1HB ASN 26 1HB ASN 26 -13.122 -1.447 2.775 191 2HB ASN 26 2HB ASN 26 -11.917 -2.015 1.625 192 1HD2 ASN 26 1HD2 ASN 26 -10.672 -2.883 3.287 193 2HD2 ASN 26 2HD2 ASN 26 -9.725 -1.886 4.335 194 H THR 27 H THR 27 -12.528 0.531 3.797 195 HA THR 27 HA THR 27 -14.760 2.405 3.717 196 HB THR 27 HB THR 27 -14.984 0.972 5.579 197 HG1 THR 27 HG1 THR 27 -15.151 3.201 6.167 198 1HG2 THR 27 1HG2 THR 27 -12.662 0.055 5.436 199 2HG2 THR 27 2HG2 THR 27 -13.230 0.332 7.083 200 3HG2 THR 27 3HG2 THR 27 -12.105 1.465 6.337 201 H ARG 28 H ARG 28 -11.796 2.418 5.622 202 HA ARG 28 HA ARG 28 -10.698 4.722 4.269 203 1HB ARG 28 1HB ARG 28 -10.408 5.775 6.681 204 2HB ARG 28 2HB ARG 28 -11.840 6.090 5.713 205 1HG ARG 28 1HG ARG 28 -12.558 5.629 7.923 206 2HG ARG 28 2HG ARG 28 -12.979 4.232 6.932 207 1HD ARG 28 1HD ARG 28 -10.416 4.329 8.486 208 2HD ARG 28 2HD ARG 28 -11.926 3.827 9.244 209 HE ARG 28 HE ARG 28 -11.167 2.449 6.796 210 1HH1 ARG 28 1HH1 ARG 28 -11.296 2.465 10.275 211 2HH1 ARG 28 2HH1 ARG 28 -11.084 0.752 10.423 212 1HH2 ARG 28 1HH2 ARG 28 -10.887 0.189 6.976 213 2HH2 ARG 28 2HH2 ARG 28 -10.850 -0.543 8.546 214 H ILE 29 H ILE 29 -8.907 3.321 3.774 215 HA ILE 29 HA ILE 29 -7.296 2.616 6.151 216 HB ILE 29 HB ILE 29 -7.576 1.022 3.606 217 1HG1 ILE 29 1HG1 ILE 29 -9.462 0.759 5.143 218 2HG1 ILE 29 2HG1 ILE 29 -8.491 -0.710 5.102 219 1HG2 ILE 29 1HG2 ILE 29 -6.057 -0.585 4.662 220 2HG2 ILE 29 2HG2 ILE 29 -5.829 0.525 6.013 221 3HG2 ILE 29 3HG2 ILE 29 -5.279 0.975 4.399 222 1HD1 ILE 29 1HD1 ILE 29 -8.492 1.393 7.251 223 2HD1 ILE 29 2HD1 ILE 29 -7.398 0.010 7.198 224 3HD1 ILE 29 3HD1 ILE 29 -9.136 -0.245 7.360 225 H TPO 30 H TPO 30 -5.299 3.412 6.227 226 HA TPO 30 HA TPO 30 -3.826 3.950 3.773 227 HB TPO 30 HB TPO 30 -3.213 6.240 4.493 228 1HG2 TPO 30 1HG2 TPO 30 -5.317 7.311 3.844 229 2HG2 TPO 30 2HG2 TPO 30 -6.178 5.796 4.123 230 3HG2 TPO 30 3HG2 TPO 30 -4.980 5.906 2.833 231 H GLN 31 H GLN 31 -2.105 2.707 4.159 232 HA GLN 31 HA GLN 31 -0.333 3.373 6.377 233 1HB GLN 31 1HB GLN 31 -0.029 0.744 6.579 234 2HB GLN 31 2HB GLN 31 -1.222 1.597 7.529 235 1HG GLN 31 1HG GLN 31 -2.577 -0.022 6.766 236 2HG GLN 31 2HG GLN 31 -2.701 1.046 5.370 237 1HE2 GLN 31 1HE2 GLN 31 0.109 0.433 4.623 238 2HE2 GLN 31 2HE2 GLN 31 0.048 -1.124 3.881 239 H TRP 32 H TRP 32 1.905 2.834 5.894 240 HA TRP 32 HA TRP 32 2.259 2.224 3.045 241 1HB TRP 32 1HB TRP 32 4.379 2.978 5.047 242 2HB TRP 32 2HB TRP 32 4.463 3.091 3.293 243 HD1 TRP 32 HD1 TRP 32 1.713 4.484 5.655 244 HE1 TRP 32 HE1 TRP 32 1.499 7.009 5.195 245 HE3 TRP 32 HE3 TRP 32 5.484 4.998 2.260 246 HZ2 TRP 32 HZ2 TRP 32 2.778 8.964 3.598 247 HZ3 TRP 32 HZ3 TRP 32 5.920 7.209 1.311 248 HH2 TRP 32 HH2 TRP 32 4.603 9.160 1.962 249 H GLU 33 H GLU 33 1.585 -0.064 3.530 250 HA GLU 33 HA GLU 33 3.993 -1.641 3.702 251 1HB GLU 33 1HB GLU 33 3.473 -1.630 6.040 252 2HB GLU 33 2HB GLU 33 1.797 -2.075 5.714 253 1HG GLU 33 1HG GLU 33 3.072 -4.069 4.430 254 2HG GLU 33 2HG GLU 33 4.228 -3.735 5.729 255 H ASP 34 H ASP 34 3.846 -3.745 2.852 256 HA ASP 34 HA ASP 34 1.741 -4.267 1.004 257 1HB ASP 34 1HB ASP 34 4.016 -5.252 0.770 258 2HB ASP 34 2HB ASP 34 3.763 -6.168 2.251 259 HA PRO 35 HA PRO 35 -0.922 -5.694 4.315 260 1HB PRO 35 1HB PRO 35 -3.064 -6.166 2.471 261 2HB PRO 35 2HB PRO 35 -2.786 -4.740 3.473 262 1HG PRO 35 1HG PRO 35 -2.649 -4.667 0.766 263 2HG PRO 35 2HG PRO 35 -1.672 -3.615 1.798 264 1HD PRO 35 1HD PRO 35 -0.893 -6.289 0.633 265 2HD PRO 35 2HD PRO 35 -0.046 -4.744 0.442 266 H ARG 36 H ARG 36 0.453 -7.683 2.141 267 HA ARG 36 HA ARG 36 -0.017 -9.895 1.430 268 1HB ARG 36 1HB ARG 36 0.875 -11.332 3.249 269 2HB ARG 36 2HB ARG 36 1.866 -9.919 2.917 270 1HG ARG 36 1HG ARG 36 -0.154 -9.972 5.137 271 2HG ARG 36 2HG ARG 36 1.502 -10.541 5.347 272 1HD ARG 36 1HD ARG 36 2.304 -8.318 4.593 273 2HD ARG 36 2HD ARG 36 0.627 -7.771 4.536 274 HE ARG 36 HE ARG 36 0.810 -7.391 6.769 275 1HH1 ARG 36 1HH1 ARG 36 2.934 -10.020 5.934 276 2HH1 ARG 36 2HH1 ARG 36 3.505 -10.247 7.553 277 1HH2 ARG 36 1HH2 ARG 36 1.552 -7.684 8.911 278 2HH2 ARG 36 2HH2 ARG 36 2.718 -8.919 9.245 279 H SER 37 H SER 37 -0.856 -10.744 4.667 280 HA SER 37 HA SER 37 -3.130 -12.195 3.890 281 1HB SER 37 1HB SER 37 -2.371 -11.204 6.650 282 2HB SER 37 2HB SER 37 -3.550 -12.468 6.299 283 HG SER 37 HG SER 37 -0.803 -12.562 5.587 Start of MODEL 2 1 1H GLY 1 1H GLY 1 3.633 -8.861 -14.001 2 2H GLY 1 2H GLY 1 4.106 -10.149 -14.992 3 3H GLY 1 3H GLY 1 4.768 -9.985 -13.444 4 1HA GLY 1 1HA GLY 1 1.924 -10.572 -14.067 5 2HA GLY 1 2HA GLY 1 3.104 -11.735 -13.480 6 H ALA 2 H ALA 2 3.224 -8.495 -12.278 7 HA ALA 2 HA ALA 2 2.592 -7.539 -10.298 8 1HB ALA 2 1HB ALA 2 0.393 -8.556 -10.609 9 2HB ALA 2 2HB ALA 2 0.872 -8.569 -8.911 10 3HB ALA 2 3HB ALA 2 0.974 -10.048 -9.867 11 H MET 3 H MET 3 4.523 -7.464 -9.296 12 HA MET 3 HA MET 3 5.035 -9.408 -7.220 13 1HB MET 3 1HB MET 3 7.295 -9.942 -7.906 14 2HB MET 3 2HB MET 3 6.176 -10.387 -9.186 15 1HG MET 3 1HG MET 3 7.887 -7.913 -9.119 16 2HG MET 3 2HG MET 3 8.191 -9.361 -10.075 17 1HE MET 3 1HE MET 3 5.312 -5.952 -10.985 18 2HE MET 3 2HE MET 3 6.903 -5.857 -10.231 19 3HE MET 3 3HE MET 3 5.550 -6.561 -9.347 20 H GLY 4 H GLY 4 5.175 -8.063 -5.542 21 1HA GLY 4 1HA GLY 4 7.002 -6.588 -4.523 22 2HA GLY 4 2HA GLY 4 6.667 -5.549 -5.896 23 HA PRO 5 HA PRO 5 4.518 -3.487 -2.336 24 1HB PRO 5 1HB PRO 5 3.910 -2.040 -4.896 25 2HB PRO 5 2HB PRO 5 4.234 -1.382 -3.289 26 1HG PRO 5 1HG PRO 5 6.128 -1.539 -5.251 27 2HG PRO 5 2HG PRO 5 6.505 -1.575 -3.521 28 1HD PRO 5 1HD PRO 5 6.791 -3.700 -5.474 29 2HD PRO 5 2HD PRO 5 7.279 -3.696 -3.772 30 H LEU 6 H LEU 6 2.602 -3.995 -1.664 31 HA LEU 6 HA LEU 6 0.527 -4.799 -1.473 32 1HB LEU 6 1HB LEU 6 -1.071 -4.268 -3.341 33 2HB LEU 6 2HB LEU 6 -0.429 -2.949 -2.385 34 HG LEU 6 HG LEU 6 1.237 -2.622 -4.282 35 1HD1 LEU 6 1HD1 LEU 6 0.465 -3.467 -6.478 36 2HD1 LEU 6 2HD1 LEU 6 -0.796 -4.377 -5.642 37 3HD1 LEU 6 3HD1 LEU 6 0.902 -4.781 -5.386 38 1HD2 LEU 6 1HD2 LEU 6 -0.279 -0.937 -4.318 39 2HD2 LEU 6 2HD2 LEU 6 -1.652 -2.032 -4.344 40 3HD2 LEU 6 3HD2 LEU 6 -0.735 -1.736 -5.817 41 HA PRO 7 HA PRO 7 0.597 -8.717 -3.523 42 1HB PRO 7 1HB PRO 7 -1.206 -9.253 -1.275 43 2HB PRO 7 2HB PRO 7 0.247 -10.163 -1.763 44 1HG PRO 7 1HG PRO 7 0.321 -8.638 0.405 45 2HG PRO 7 2HG PRO 7 1.688 -8.607 -0.732 46 1HD PRO 7 1HD PRO 7 -0.605 -6.678 -0.500 47 2HD PRO 7 2HD PRO 7 1.118 -6.320 -0.614 48 HA PRO 8 HA PRO 8 -4.215 -8.672 -3.647 49 1HB PRO 8 1HB PRO 8 -5.145 -6.604 -1.888 50 2HB PRO 8 2HB PRO 8 -5.283 -8.353 -1.666 51 1HG PRO 8 1HG PRO 8 -3.754 -6.660 -0.109 52 2HG PRO 8 2HG PRO 8 -3.496 -8.404 -0.258 53 1HD PRO 8 1HD PRO 8 -2.039 -6.175 -1.643 54 2HD PRO 8 2HD PRO 8 -1.430 -7.665 -0.961 55 H GLY 9 H GLY 9 -6.128 -7.007 -4.094 56 1HA GLY 9 1HA GLY 9 -5.248 -5.228 -6.146 57 2HA GLY 9 2HA GLY 9 -6.892 -5.350 -5.518 58 H TRP 10 H TRP 10 -3.823 -3.778 -5.227 59 HA TRP 10 HA TRP 10 -4.998 -1.781 -3.393 60 1HB TRP 10 1HB TRP 10 -2.294 -3.051 -3.276 61 2HB TRP 10 2HB TRP 10 -2.734 -1.667 -2.341 62 HD1 TRP 10 HD1 TRP 10 -4.103 -5.230 -2.831 63 HE1 TRP 10 HE1 TRP 10 -5.015 -6.048 -0.573 64 HE3 TRP 10 HE3 TRP 10 -2.840 -1.225 -0.005 65 HZ2 TRP 10 HZ2 TRP 10 -5.064 -5.154 2.091 66 HZ3 TRP 10 HZ3 TRP 10 -3.248 -1.340 2.425 67 HH2 TRP 10 HH2 TRP 10 -4.326 -3.235 3.425 68 H GLU 11 H GLU 11 -4.182 0.318 -3.516 69 HA GLU 11 HA GLU 11 -2.654 0.897 -5.950 70 1HB GLU 11 1HB GLU 11 -4.795 2.145 -5.538 71 2HB GLU 11 2HB GLU 11 -4.050 2.847 -4.105 72 1HG GLU 11 1HG GLU 11 -3.568 3.416 -6.967 73 2HG GLU 11 2HG GLU 11 -3.616 4.494 -5.582 74 H LYS 12 H LYS 12 -0.625 0.324 -5.233 75 HA LYS 12 HA LYS 12 0.454 1.815 -2.933 76 1HB LYS 12 1HB LYS 12 1.176 -0.886 -4.044 77 2HB LYS 12 2HB LYS 12 2.318 0.009 -3.060 78 1HG LYS 12 1HG LYS 12 1.094 -1.610 -1.754 79 2HG LYS 12 2HG LYS 12 0.754 0.021 -1.200 80 1HD LYS 12 1HD LYS 12 -1.170 -0.730 -3.189 81 2HD LYS 12 2HD LYS 12 -1.076 -1.966 -1.940 82 1HE LYS 12 1HE LYS 12 -1.498 -0.421 -0.239 83 2HE LYS 12 2HE LYS 12 -1.307 0.954 -1.324 84 1HZ LYS 12 1HZ LYS 12 -3.301 0.182 -2.518 85 2HZ LYS 12 2HZ LYS 12 -3.627 0.576 -0.908 86 3HZ LYS 12 3HZ LYS 12 -3.504 -1.045 -1.372 87 H ARG 13 H ARG 13 2.518 2.716 -3.100 88 HA ARG 13 HA ARG 13 3.677 2.912 -5.767 89 1HB ARG 13 1HB ARG 13 2.131 4.701 -5.901 90 2HB ARG 13 2HB ARG 13 2.516 5.254 -4.279 91 1HG ARG 13 1HG ARG 13 4.759 5.891 -5.044 92 2HG ARG 13 2HG ARG 13 4.332 5.375 -6.677 93 1HD ARG 13 1HD ARG 13 3.062 7.593 -5.079 94 2HD ARG 13 2HD ARG 13 4.076 7.764 -6.512 95 HE ARG 13 HE ARG 13 1.812 6.161 -7.078 96 1HH1 ARG 13 1HH1 ARG 13 2.777 9.462 -6.534 97 2HH1 ARG 13 2HH1 ARG 13 1.488 10.130 -7.478 98 1HH2 ARG 13 1HH2 ARG 13 0.109 7.030 -8.322 99 2HH2 ARG 13 2HH2 ARG 13 -0.029 8.749 -8.494 100 H THR 14 H THR 14 5.782 3.676 -5.847 101 HA THR 14 HA THR 14 7.130 3.970 -3.246 102 HB THR 14 HB THR 14 9.079 2.807 -4.150 103 HG1 THR 14 HG1 THR 14 7.458 2.286 -6.439 104 1HG2 THR 14 1HG2 THR 14 8.149 0.544 -4.258 105 2HG2 THR 14 2HG2 THR 14 6.537 1.214 -4.502 106 3HG2 THR 14 3HG2 THR 14 7.383 1.486 -2.979 107 H ASP 15 H ASP 15 7.125 6.213 -3.392 108 HA ASP 15 HA ASP 15 8.612 7.419 -5.620 109 1HB ASP 15 1HB ASP 15 6.407 8.391 -5.187 110 2HB ASP 15 2HB ASP 15 6.848 8.684 -3.506 111 H SER 16 H SER 16 10.355 8.879 -5.174 112 HA SER 16 HA SER 16 12.182 8.035 -3.236 113 1HB SER 16 1HB SER 16 12.622 9.570 -5.270 114 2HB SER 16 2HB SER 16 12.072 10.901 -4.256 115 HG SER 16 HG SER 16 14.094 9.141 -3.380 116 H ASN 17 H ASN 17 9.390 10.059 -2.676 117 HA ASN 17 HA ASN 17 10.178 11.205 -0.282 118 1HB ASN 17 1HB ASN 17 7.773 9.364 -0.736 119 2HB ASN 17 2HB ASN 17 8.016 10.301 0.736 120 1HD2 ASN 17 1HD2 ASN 17 7.201 10.410 -2.633 121 2HD2 ASN 17 2HD2 ASN 17 6.601 12.031 -2.646 122 H GLY 18 H GLY 18 10.251 8.412 -1.840 123 1HA GLY 18 1HA GLY 18 11.138 6.392 -1.756 124 2HA GLY 18 2HA GLY 18 12.365 7.146 -0.774 125 H ARG 19 H ARG 19 9.032 6.256 -0.569 126 HA ARG 19 HA ARG 19 9.488 4.486 1.735 127 1HB ARG 19 1HB ARG 19 8.334 7.031 1.961 128 2HB ARG 19 2HB ARG 19 6.979 5.910 1.977 129 1HG ARG 19 1HG ARG 19 7.780 6.434 4.225 130 2HG ARG 19 2HG ARG 19 7.936 4.719 3.842 131 1HD ARG 19 1HD ARG 19 10.287 4.951 3.457 132 2HD ARG 19 2HD ARG 19 10.183 6.708 3.566 133 HE ARG 19 HE ARG 19 9.495 5.073 5.902 134 1HH1 ARG 19 1HH1 ARG 19 11.585 7.374 4.333 135 2HH1 ARG 19 2HH1 ARG 19 12.382 7.846 5.797 136 1HH2 ARG 19 1HH2 ARG 19 10.534 5.689 7.837 137 2HH2 ARG 19 2HH2 ARG 19 11.784 6.888 7.790 138 H VAL 20 H VAL 20 7.986 2.796 1.907 139 HA VAL 20 HA VAL 20 6.470 2.276 -0.546 140 HB VAL 20 HB VAL 20 6.264 -0.043 0.330 141 1HG1 VAL 20 1HG1 VAL 20 8.081 0.543 -1.185 142 2HG1 VAL 20 2HG1 VAL 20 8.606 -0.669 -0.015 143 3HG1 VAL 20 3HG1 VAL 20 9.086 1.017 0.186 144 1HG2 VAL 20 1HG2 VAL 20 6.387 0.457 2.713 145 2HG2 VAL 20 2HG2 VAL 20 8.063 0.970 2.531 146 3HG2 VAL 20 3HG2 VAL 20 7.623 -0.715 2.257 147 H TYR 21 H TYR 21 4.573 3.385 -0.331 148 HA TYR 21 HA TYR 21 3.050 2.956 2.143 149 1HB TYR 21 1HB TYR 21 2.293 5.073 2.040 150 2HB TYR 21 2HB TYR 21 3.754 5.302 1.100 151 HD1 TYR 21 HD1 TYR 21 3.664 5.492 -1.348 152 HD2 TYR 21 HD2 TYR 21 0.115 5.295 1.006 153 HE1 TYR 21 HE1 TYR 21 2.365 6.361 -3.243 154 HE2 TYR 21 HE2 TYR 21 -1.185 6.162 -0.895 155 HH TYR 21 HH TYR 21 0.056 6.358 -4.051 156 H PHE 22 H PHE 22 0.813 2.586 2.079 157 HA PHE 22 HA PHE 22 -0.149 1.381 -0.423 158 1HB PHE 22 1HB PHE 22 -0.301 0.362 2.400 159 2HB PHE 22 2HB PHE 22 -1.516 -0.111 1.222 160 HD1 PHE 22 HD1 PHE 22 2.183 0.286 1.167 161 HD2 PHE 22 HD2 PHE 22 -1.154 -2.274 0.400 162 HE1 PHE 22 HE1 PHE 22 3.695 -1.466 0.387 163 HE2 PHE 22 HE2 PHE 22 0.371 -4.004 -0.370 164 HZ PHE 22 HZ PHE 22 2.773 -3.594 -0.370 165 H VAL 23 H VAL 23 -2.043 2.127 -1.144 166 HA VAL 23 HA VAL 23 -3.804 3.452 0.794 167 HB VAL 23 HB VAL 23 -4.576 4.814 -1.311 168 1HG1 VAL 23 1HG1 VAL 23 -3.714 5.781 0.742 169 2HG1 VAL 23 2HG1 VAL 23 -3.035 6.608 -0.660 170 3HG1 VAL 23 3HG1 VAL 23 -2.061 5.437 0.231 171 1HG2 VAL 23 1HG2 VAL 23 -2.676 5.416 -2.759 172 2HG2 VAL 23 2HG2 VAL 23 -3.147 3.725 -2.929 173 3HG2 VAL 23 3HG2 VAL 23 -1.715 4.152 -1.992 174 H ASN 24 H ASN 24 -5.138 1.784 1.090 175 HA ASN 24 HA ASN 24 -6.602 0.777 -1.256 176 1HB ASN 24 1HB ASN 24 -5.652 -0.497 1.214 177 2HB ASN 24 2HB ASN 24 -7.346 -0.831 0.860 178 1HD2 ASN 24 1HD2 ASN 24 -7.018 -2.968 0.371 179 2HD2 ASN 24 2HD2 ASN 24 -6.184 -3.490 -1.048 180 H HIS 25 H HIS 25 -8.815 1.112 -1.346 181 HA HIS 25 HA HIS 25 -9.852 2.615 0.951 182 1HB HIS 25 1HB HIS 25 -10.520 3.020 -1.964 183 2HB HIS 25 2HB HIS 25 -11.283 3.868 -0.623 184 HD1 HIS 25 HD1 HIS 25 -10.256 6.039 -0.032 185 HD2 HIS 25 HD2 HIS 25 -7.595 3.566 -2.048 186 HE1 HIS 25 HE1 HIS 25 -8.190 7.426 -0.391 187 HE2 HIS 25 HE2 HIS 25 -6.634 5.941 -1.702 188 H ASN 26 H ASN 26 -10.574 0.638 1.791 189 HA ASN 26 HA ASN 26 -12.975 -0.485 0.560 190 1HB ASN 26 1HB ASN 26 -11.482 -1.170 3.122 191 2HB ASN 26 2HB ASN 26 -12.969 -1.967 2.613 192 1HD2 ASN 26 1HD2 ASN 26 -10.246 -3.003 3.045 193 2HD2 ASN 26 2HD2 ASN 26 -9.807 -3.777 1.564 194 H THR 27 H THR 27 -12.329 0.228 3.923 195 HA THR 27 HA THR 27 -14.651 1.982 4.081 196 HB THR 27 HB THR 27 -14.611 0.492 5.925 197 HG1 THR 27 HG1 THR 27 -13.363 2.901 6.801 198 1HG2 THR 27 1HG2 THR 27 -12.201 -0.183 5.549 199 2HG2 THR 27 2HG2 THR 27 -12.718 -0.083 7.231 200 3HG2 THR 27 3HG2 THR 27 -11.749 1.211 6.530 201 H ARG 28 H ARG 28 -11.562 2.143 5.752 202 HA ARG 28 HA ARG 28 -10.655 4.479 4.312 203 1HB ARG 28 1HB ARG 28 -10.365 5.817 6.384 204 2HB ARG 28 2HB ARG 28 -12.054 5.534 5.988 205 1HG ARG 28 1HG ARG 28 -12.169 3.771 7.661 206 2HG ARG 28 2HG ARG 28 -10.462 4.011 8.041 207 1HD ARG 28 1HD ARG 28 -12.654 6.058 8.366 208 2HD ARG 28 2HD ARG 28 -11.909 5.128 9.666 209 HE ARG 28 HE ARG 28 -9.820 6.387 8.438 210 1HH1 ARG 28 1HH1 ARG 28 -12.810 7.424 9.893 211 2HH1 ARG 28 2HH1 ARG 28 -12.180 8.955 10.403 212 1HH2 ARG 28 1HH2 ARG 28 -8.982 8.399 9.106 213 2HH2 ARG 28 2HH2 ARG 28 -10.003 9.509 9.956 214 H ILE 29 H ILE 29 -8.815 3.129 3.721 215 HA ILE 29 HA ILE 29 -7.064 2.568 6.034 216 HB ILE 29 HB ILE 29 -7.419 0.784 3.630 217 1HG1 ILE 29 1HG1 ILE 29 -9.309 0.627 5.160 218 2HG1 ILE 29 2HG1 ILE 29 -8.322 -0.828 5.276 219 1HG2 ILE 29 1HG2 ILE 29 -5.905 -0.741 4.799 220 2HG2 ILE 29 2HG2 ILE 29 -5.679 0.459 6.070 221 3HG2 ILE 29 3HG2 ILE 29 -5.121 0.795 4.433 222 1HD1 ILE 29 1HD1 ILE 29 -8.297 1.484 7.201 223 2HD1 ILE 29 2HD1 ILE 29 -7.300 0.034 7.318 224 3HD1 ILE 29 3HD1 ILE 29 -9.053 -0.087 7.464 225 H TPO 30 H TPO 30 -5.113 3.438 5.935 226 HA TPO 30 HA TPO 30 -3.712 3.663 3.401 227 HB TPO 30 HB TPO 30 -3.905 6.147 5.087 228 1HG2 TPO 30 1HG2 TPO 30 -2.012 5.986 3.557 229 2HG2 TPO 30 2HG2 TPO 30 -3.146 7.226 3.017 230 3HG2 TPO 30 3HG2 TPO 30 -3.110 5.653 2.217 231 H GLN 31 H GLN 31 -2.252 2.188 4.261 232 HA GLN 31 HA GLN 31 -0.417 3.274 6.302 233 1HB GLN 31 1HB GLN 31 -0.111 0.597 6.625 234 2HB GLN 31 2HB GLN 31 -1.157 1.582 7.622 235 1HG GLN 31 1HG GLN 31 -2.315 -0.413 6.916 236 2HG GLN 31 2HG GLN 31 -3.060 1.009 6.187 237 1HE2 GLN 31 1HE2 GLN 31 -0.029 -0.323 5.106 238 2HE2 GLN 31 2HE2 GLN 31 -0.602 -0.915 3.587 239 H TRP 32 H TRP 32 1.846 2.721 5.938 240 HA TRP 32 HA TRP 32 2.297 1.990 3.141 241 1HB TRP 32 1HB TRP 32 4.495 2.565 5.087 242 2HB TRP 32 2HB TRP 32 4.392 2.958 3.374 243 HD1 TRP 32 HD1 TRP 32 2.033 4.001 6.298 244 HE1 TRP 32 HE1 TRP 32 1.807 6.564 6.231 245 HE3 TRP 32 HE3 TRP 32 5.230 4.977 2.455 246 HZ2 TRP 32 HZ2 TRP 32 2.859 8.721 4.734 247 HZ3 TRP 32 HZ3 TRP 32 5.559 7.295 1.759 248 HH2 TRP 32 HH2 TRP 32 4.409 9.141 2.872 249 H GLU 33 H GLU 33 1.531 -0.257 3.627 250 HA GLU 33 HA GLU 33 3.848 -1.931 4.014 251 1HB GLU 33 1HB GLU 33 3.167 -1.804 6.306 252 2HB GLU 33 2HB GLU 33 1.499 -2.186 5.878 253 1HG GLU 33 1HG GLU 33 2.638 -4.313 4.801 254 2HG GLU 33 2HG GLU 33 3.877 -3.955 6.014 255 H ASP 34 H ASP 34 3.654 -4.064 3.214 256 HA ASP 34 HA ASP 34 1.580 -4.514 1.288 257 1HB ASP 34 1HB ASP 34 2.538 -6.769 1.068 258 2HB ASP 34 2HB ASP 34 3.833 -5.577 1.088 259 HA PRO 35 HA PRO 35 -1.211 -5.914 4.473 260 1HB PRO 35 1HB PRO 35 -3.201 -6.570 2.522 261 2HB PRO 35 2HB PRO 35 -3.030 -5.074 3.445 262 1HG PRO 35 1HG PRO 35 -2.699 -5.156 0.755 263 2HG PRO 35 2HG PRO 35 -1.802 -4.032 1.787 264 1HD PRO 35 1HD PRO 35 -0.947 -6.774 0.868 265 2HD PRO 35 2HD PRO 35 -0.102 -5.238 0.596 266 H ARG 36 H ARG 36 0.653 -7.959 3.651 267 HA ARG 36 HA ARG 36 -0.135 -10.321 2.688 268 1HB ARG 36 1HB ARG 36 1.317 -11.442 4.300 269 2HB ARG 36 2HB ARG 36 2.054 -9.954 3.726 270 1HG ARG 36 1HG ARG 36 2.469 -10.014 6.032 271 2HG ARG 36 2HG ARG 36 1.148 -8.861 5.825 272 1HD ARG 36 1HD ARG 36 -0.464 -10.556 6.470 273 2HD ARG 36 2HD ARG 36 0.818 -11.758 6.596 274 HE ARG 36 HE ARG 36 1.040 -9.399 8.288 275 1HH1 ARG 36 1HH1 ARG 36 0.194 -12.761 7.974 276 2HH1 ARG 36 2HH1 ARG 36 0.264 -13.074 9.675 277 1HH2 ARG 36 1HH2 ARG 36 1.136 -9.798 10.533 278 2HH2 ARG 36 2HH2 ARG 36 0.799 -11.388 11.132 279 H SER 37 H SER 37 -1.515 -8.783 5.435 280 HA SER 37 HA SER 37 -3.449 -10.955 5.666 281 1HB SER 37 1HB SER 37 -3.306 -10.954 8.131 282 2HB SER 37 2HB SER 37 -1.787 -11.459 7.394 283 HG SER 37 HG SER 37 -1.087 -9.985 8.772 Start of MODEL 3 1 1H GLY 1 1H GLY 1 1.096 -8.266 -10.057 2 2H GLY 1 2H GLY 1 2.122 -8.018 -11.379 3 3H GLY 1 3H GLY 1 2.727 -7.893 -9.804 4 1HA GLY 1 1HA GLY 1 1.704 -10.370 -11.084 5 2HA GLY 1 2HA GLY 1 3.397 -9.983 -10.813 6 H ALA 2 H ALA 2 1.561 -8.795 -8.292 7 HA ALA 2 HA ALA 2 1.243 -9.418 -6.126 8 1HB ALA 2 1HB ALA 2 -0.148 -11.186 -7.088 9 2HB ALA 2 2HB ALA 2 0.695 -11.745 -5.643 10 3HB ALA 2 3HB ALA 2 1.271 -12.222 -7.240 11 H MET 3 H MET 3 3.991 -9.783 -7.736 12 HA MET 3 HA MET 3 5.456 -11.209 -5.641 13 1HB MET 3 1HB MET 3 7.300 -11.301 -7.167 14 2HB MET 3 2HB MET 3 5.851 -11.760 -8.049 15 1HG MET 3 1HG MET 3 7.255 -9.102 -8.153 16 2HG MET 3 2HG MET 3 7.226 -10.334 -9.411 17 1HE MET 3 1HE MET 3 3.934 -7.329 -8.368 18 2HE MET 3 2HE MET 3 5.654 -7.199 -8.003 19 3HE MET 3 3HE MET 3 4.650 -8.345 -7.118 20 H GLY 4 H GLY 4 4.314 -8.584 -5.150 21 1HA GLY 4 1HA GLY 4 6.374 -7.365 -3.748 22 2HA GLY 4 2HA GLY 4 6.321 -6.584 -5.319 23 HA PRO 5 HA PRO 5 3.902 -3.813 -2.444 24 1HB PRO 5 1HB PRO 5 3.905 -2.642 -5.205 25 2HB PRO 5 2HB PRO 5 4.072 -1.834 -3.643 26 1HG PRO 5 1HG PRO 5 6.187 -2.457 -5.265 27 2HG PRO 5 2HG PRO 5 6.308 -2.277 -3.508 28 1HD PRO 5 1HD PRO 5 6.621 -4.674 -5.098 29 2HD PRO 5 2HD PRO 5 6.837 -4.472 -3.351 30 H LEU 6 H LEU 6 1.734 -3.095 -2.576 31 HA LEU 6 HA LEU 6 -0.459 -3.623 -2.684 32 1HB LEU 6 1HB LEU 6 -0.212 -3.840 -5.660 33 2HB LEU 6 2HB LEU 6 -1.485 -3.102 -4.715 34 HG LEU 6 HG LEU 6 -0.078 -1.203 -4.223 35 1HD1 LEU 6 1HD1 LEU 6 2.004 -2.835 -5.600 36 2HD1 LEU 6 2HD1 LEU 6 2.034 -2.046 -4.018 37 3HD1 LEU 6 3HD1 LEU 6 2.126 -1.074 -5.490 38 1HD2 LEU 6 1HD2 LEU 6 -1.247 -0.765 -6.171 39 2HD2 LEU 6 2HD2 LEU 6 -0.419 -2.032 -7.074 40 3HD2 LEU 6 3HD2 LEU 6 0.419 -0.527 -6.696 41 HA PRO 7 HA PRO 7 0.139 -8.097 -3.217 42 1HB PRO 7 1HB PRO 7 -1.177 -8.024 -0.591 43 2HB PRO 7 2HB PRO 7 0.278 -8.922 -1.073 44 1HG PRO 7 1HG PRO 7 0.510 -6.773 0.483 45 2HG PRO 7 2HG PRO 7 1.658 -7.026 -0.849 46 1HD PRO 7 1HD PRO 7 -0.782 -5.264 -0.782 47 2HD PRO 7 2HD PRO 7 0.846 -4.846 -1.346 48 HA PRO 8 HA PRO 8 -4.629 -8.172 -2.824 49 1HB PRO 8 1HB PRO 8 -5.486 -6.013 -1.166 50 2HB PRO 8 2HB PRO 8 -5.439 -7.724 -0.727 51 1HG PRO 8 1HG PRO 8 -3.875 -5.703 0.379 52 2HG PRO 8 2HG PRO 8 -3.546 -7.437 0.490 53 1HD PRO 8 1HD PRO 8 -2.319 -5.420 -1.348 54 2HD PRO 8 2HD PRO 8 -1.615 -6.820 -0.575 55 H GLY 9 H GLY 9 -6.592 -6.505 -3.338 56 1HA GLY 9 1HA GLY 9 -5.838 -4.956 -5.572 57 2HA GLY 9 2HA GLY 9 -7.370 -4.798 -4.710 58 H TRP 10 H TRP 10 -4.015 -3.726 -4.819 59 HA TRP 10 HA TRP 10 -4.763 -1.419 -3.137 60 1HB TRP 10 1HB TRP 10 -2.313 -3.162 -3.038 61 2HB TRP 10 2HB TRP 10 -2.345 -1.575 -2.284 62 HD1 TRP 10 HD1 TRP 10 -4.577 -4.649 -2.370 63 HE1 TRP 10 HE1 TRP 10 -5.523 -5.127 -0.029 64 HE3 TRP 10 HE3 TRP 10 -2.358 -0.837 0.146 65 HZ2 TRP 10 HZ2 TRP 10 -5.278 -4.064 2.560 66 HZ3 TRP 10 HZ3 TRP 10 -2.700 -0.691 2.576 67 HH2 TRP 10 HH2 TRP 10 -4.127 -2.253 3.728 68 H GLU 11 H GLU 11 -3.785 0.527 -3.499 69 HA GLU 11 HA GLU 11 -2.290 0.749 -6.024 70 1HB GLU 11 1HB GLU 11 -4.447 1.978 -5.973 71 2HB GLU 11 2HB GLU 11 -3.886 2.873 -4.567 72 1HG GLU 11 1HG GLU 11 -1.977 3.049 -6.711 73 2HG GLU 11 2HG GLU 11 -3.576 3.554 -7.250 74 H LYS 12 H LYS 12 -0.302 0.321 -5.128 75 HA LYS 12 HA LYS 12 0.648 2.124 -3.012 76 1HB LYS 12 1HB LYS 12 1.560 -0.594 -3.901 77 2HB LYS 12 2HB LYS 12 2.598 0.429 -2.940 78 1HG LYS 12 1HG LYS 12 1.470 -1.170 -1.565 79 2HG LYS 12 2HG LYS 12 0.938 0.450 -1.154 80 1HD LYS 12 1HD LYS 12 -0.816 -0.657 -3.153 81 2HD LYS 12 2HD LYS 12 -0.650 -1.767 -1.793 82 1HE LYS 12 1HE LYS 12 -1.294 -0.159 -0.244 83 2HE LYS 12 2HE LYS 12 -1.138 1.162 -1.402 84 1HZ LYS 12 1HZ LYS 12 -3.239 -0.924 -1.285 85 2HZ LYS 12 2HZ LYS 12 -3.004 0.041 -2.649 86 3HZ LYS 12 3HZ LYS 12 -3.429 0.752 -1.178 87 H ARG 13 H ARG 13 2.651 3.122 -3.236 88 HA ARG 13 HA ARG 13 3.924 3.080 -5.847 89 1HB ARG 13 1HB ARG 13 3.707 5.501 -6.212 90 2HB ARG 13 2HB ARG 13 2.148 4.689 -6.223 91 1HG ARG 13 1HG ARG 13 1.748 5.436 -3.926 92 2HG ARG 13 2HG ARG 13 3.307 6.265 -3.933 93 1HD ARG 13 1HD ARG 13 0.964 6.842 -5.743 94 2HD ARG 13 2HD ARG 13 1.501 7.830 -4.385 95 HE ARG 13 HE ARG 13 3.693 7.858 -5.833 96 1HH1 ARG 13 1HH1 ARG 13 0.390 8.108 -6.903 97 2HH1 ARG 13 2HH1 ARG 13 0.771 9.092 -8.276 98 1HH2 ARG 13 1HH2 ARG 13 4.209 9.152 -7.640 99 2HH2 ARG 13 2HH2 ARG 13 2.943 9.685 -8.695 100 H THR 14 H THR 14 5.972 4.023 -5.926 101 HA THR 14 HA THR 14 7.091 4.682 -3.285 102 HB THR 14 HB THR 14 7.941 2.531 -4.069 103 HG1 THR 14 HG1 THR 14 10.260 3.783 -4.507 104 1HG2 THR 14 1HG2 THR 14 9.270 2.343 -6.095 105 2HG2 THR 14 2HG2 THR 14 9.008 4.050 -6.452 106 3HG2 THR 14 3HG2 THR 14 7.652 2.922 -6.488 107 H ASP 15 H ASP 15 6.805 6.899 -3.546 108 HA ASP 15 HA ASP 15 8.168 8.228 -5.763 109 1HB ASP 15 1HB ASP 15 5.929 9.038 -5.155 110 2HB ASP 15 2HB ASP 15 6.473 9.344 -3.508 111 H SER 16 H SER 16 9.853 9.794 -5.372 112 HA SER 16 HA SER 16 11.852 8.999 -3.626 113 1HB SER 16 1HB SER 16 12.823 11.295 -3.895 114 2HB SER 16 2HB SER 16 12.311 10.607 -5.438 115 HG SER 16 HG SER 16 10.512 12.197 -3.993 116 H ASN 17 H ASN 17 8.946 10.686 -2.657 117 HA ASN 17 HA ASN 17 9.849 11.680 -0.231 118 1HB ASN 17 1HB ASN 17 7.604 9.624 -0.560 119 2HB ASN 17 2HB ASN 17 7.839 10.653 0.848 120 1HD2 ASN 17 1HD2 ASN 17 8.590 12.947 -0.812 121 2HD2 ASN 17 2HD2 ASN 17 7.113 13.544 -1.481 122 H GLY 18 H GLY 18 10.007 9.067 -2.066 123 1HA GLY 18 1HA GLY 18 11.042 7.135 -2.263 124 2HA GLY 18 2HA GLY 18 12.281 7.871 -1.286 125 H ARG 19 H ARG 19 9.054 6.659 -0.997 126 HA ARG 19 HA ARG 19 9.774 4.594 0.929 127 1HB ARG 19 1HB ARG 19 9.081 6.831 2.123 128 2HB ARG 19 2HB ARG 19 7.464 6.336 1.641 129 1HG ARG 19 1HG ARG 19 7.915 5.619 3.897 130 2HG ARG 19 2HG ARG 19 7.732 4.231 2.824 131 1HD ARG 19 1HD ARG 19 9.607 3.606 3.984 132 2HD ARG 19 2HD ARG 19 10.345 4.457 2.627 133 HE ARG 19 HE ARG 19 9.877 5.759 5.229 134 1HH1 ARG 19 1HH1 ARG 19 11.916 4.995 2.511 135 2HH1 ARG 19 2HH1 ARG 19 13.243 5.956 3.073 136 1HH2 ARG 19 1HH2 ARG 19 11.620 7.021 5.981 137 2HH2 ARG 19 2HH2 ARG 19 13.076 7.106 5.046 138 H VAL 20 H VAL 20 8.167 3.001 1.159 139 HA VAL 20 HA VAL 20 6.361 2.852 -1.148 140 HB VAL 20 HB VAL 20 6.232 0.446 -0.705 141 1HG1 VAL 20 1HG1 VAL 20 7.994 1.286 -2.170 142 2HG1 VAL 20 2HG1 VAL 20 8.535 -0.136 -1.279 143 3HG1 VAL 20 3HG1 VAL 20 9.068 1.470 -0.783 144 1HG2 VAL 20 1HG2 VAL 20 6.448 0.407 1.689 145 2HG2 VAL 20 2HG2 VAL 20 8.081 1.066 1.594 146 3HG2 VAL 20 3HG2 VAL 20 7.749 -0.557 0.989 147 H TYR 21 H TYR 21 4.489 3.826 -0.595 148 HA TYR 21 HA TYR 21 3.283 3.124 1.987 149 1HB TYR 21 1HB TYR 21 2.560 5.220 2.197 150 2HB TYR 21 2HB TYR 21 3.765 5.589 0.974 151 HD1 TYR 21 HD1 TYR 21 0.165 4.784 1.407 152 HD2 TYR 21 HD2 TYR 21 3.144 6.532 -1.081 153 HE1 TYR 21 HE1 TYR 21 -1.590 5.678 -0.060 154 HE2 TYR 21 HE2 TYR 21 1.395 7.430 -2.556 155 HH TYR 21 HH TYR 21 -0.938 6.977 -3.138 156 H PHE 22 H PHE 22 1.030 2.691 2.133 157 HA PHE 22 HA PHE 22 -0.054 1.531 -0.336 158 1HB PHE 22 1HB PHE 22 -0.159 0.558 2.504 159 2HB PHE 22 2HB PHE 22 -1.359 0.039 1.327 160 HD1 PHE 22 HD1 PHE 22 2.304 0.603 1.190 161 HD2 PHE 22 HD2 PHE 22 -0.915 -2.137 0.603 162 HE1 PHE 22 HE1 PHE 22 3.873 -1.067 0.325 163 HE2 PHE 22 HE2 PHE 22 0.659 -3.790 -0.251 164 HZ PHE 22 HZ PHE 22 3.031 -3.247 -0.394 165 H VAL 23 H VAL 23 -1.783 2.475 -1.106 166 HA VAL 23 HA VAL 23 -3.611 3.789 0.786 167 HB VAL 23 HB VAL 23 -2.686 5.446 -0.724 168 1HG1 VAL 23 1HG1 VAL 23 -1.974 4.198 -2.590 169 2HG1 VAL 23 2HG1 VAL 23 -3.242 5.272 -3.181 170 3HG1 VAL 23 3HG1 VAL 23 -3.596 3.570 -2.883 171 1HG2 VAL 23 1HG2 VAL 23 -4.765 6.310 -1.695 172 2HG2 VAL 23 2HG2 VAL 23 -5.003 5.713 -0.053 173 3HG2 VAL 23 3HG2 VAL 23 -5.530 4.743 -1.429 174 H ASN 24 H ASN 24 -4.968 2.166 1.217 175 HA ASN 24 HA ASN 24 -6.459 1.031 -1.058 176 1HB ASN 24 1HB ASN 24 -5.047 -0.676 0.068 177 2HB ASN 24 2HB ASN 24 -5.856 -0.315 1.590 178 1HD2 ASN 24 1HD2 ASN 24 -6.152 -1.779 -1.540 179 2HD2 ASN 24 2HD2 ASN 24 -7.614 -2.645 -1.224 180 H HIS 25 H HIS 25 -8.693 1.148 -0.904 181 HA HIS 25 HA HIS 25 -9.644 2.303 1.619 182 1HB HIS 25 1HB HIS 25 -10.589 3.108 -1.131 183 2HB HIS 25 2HB HIS 25 -11.163 3.758 0.401 184 HD1 HIS 25 HD1 HIS 25 -9.835 5.636 1.433 185 HD2 HIS 25 HD2 HIS 25 -7.907 3.885 -1.804 186 HE1 HIS 25 HE1 HIS 25 -7.873 7.127 0.933 187 HE2 HIS 25 HE2 HIS 25 -6.784 6.105 -1.095 188 H ASN 26 H ASN 26 -10.244 0.178 2.173 189 HA ASN 26 HA ASN 26 -12.657 -0.848 0.880 190 1HB ASN 26 1HB ASN 26 -11.212 -2.627 1.569 191 2HB ASN 26 2HB ASN 26 -10.881 -1.865 3.120 192 1HD2 ASN 26 1HD2 ASN 26 -14.075 -2.048 1.742 193 2HD2 ASN 26 2HD2 ASN 26 -14.716 -3.185 2.874 194 H THR 27 H THR 27 -11.847 -0.630 4.278 195 HA THR 27 HA THR 27 -14.230 0.955 4.827 196 HB THR 27 HB THR 27 -13.608 0.623 7.221 197 HG1 THR 27 HG1 THR 27 -11.738 -0.256 7.748 198 1HG2 THR 27 1HG2 THR 27 -14.054 -1.796 7.324 199 2HG2 THR 27 2HG2 THR 27 -13.724 -1.923 5.597 200 3HG2 THR 27 3HG2 THR 27 -15.106 -0.985 6.164 201 H ARG 28 H ARG 28 -11.055 1.044 6.346 202 HA ARG 28 HA ARG 28 -10.343 3.598 5.194 203 1HB ARG 28 1HB ARG 28 -11.795 4.202 7.121 204 2HB ARG 28 2HB ARG 28 -10.695 3.338 8.188 205 1HG ARG 28 1HG ARG 28 -10.311 5.745 8.245 206 2HG ARG 28 2HG ARG 28 -8.904 4.878 7.625 207 1HD ARG 28 1HD ARG 28 -9.388 6.907 6.326 208 2HD ARG 28 2HD ARG 28 -9.519 5.445 5.350 209 HE ARG 28 HE ARG 28 -12.055 5.818 6.118 210 1HH1 ARG 28 1HH1 ARG 28 -9.696 8.007 4.788 211 2HH1 ARG 28 2HH1 ARG 28 -10.873 8.997 3.991 212 1HH2 ARG 28 1HH2 ARG 28 -13.614 7.114 5.070 213 2HH2 ARG 28 2HH2 ARG 28 -13.100 8.490 4.151 214 H ILE 29 H ILE 29 -8.438 2.461 4.364 215 HA ILE 29 HA ILE 29 -6.564 1.757 6.538 216 HB ILE 29 HB ILE 29 -7.321 -0.311 5.558 217 1HG1 ILE 29 1HG1 ILE 29 -5.144 -1.236 4.829 218 2HG1 ILE 29 2HG1 ILE 29 -4.521 0.403 4.660 219 1HG2 ILE 29 1HG2 ILE 29 -6.935 -0.838 3.196 220 2HG2 ILE 29 2HG2 ILE 29 -6.373 0.812 2.928 221 3HG2 ILE 29 3HG2 ILE 29 -8.047 0.516 3.396 222 1HD1 ILE 29 1HD1 ILE 29 -3.779 -0.613 6.732 223 2HD1 ILE 29 2HD1 ILE 29 -5.453 -0.877 7.219 224 3HD1 ILE 29 3HD1 ILE 29 -4.831 0.765 7.052 225 H TPO 30 H TPO 30 -4.694 2.780 6.524 226 HA TPO 30 HA TPO 30 -3.442 3.593 4.028 227 HB TPO 30 HB TPO 30 -3.114 5.921 4.758 228 1HG2 TPO 30 1HG2 TPO 30 -4.985 5.375 3.268 229 2HG2 TPO 30 2HG2 TPO 30 -5.388 6.716 4.341 230 3HG2 TPO 30 3HG2 TPO 30 -6.021 5.104 4.670 231 H GLN 31 H GLN 31 -1.672 2.348 4.425 232 HA GLN 31 HA GLN 31 0.206 3.290 6.452 233 1HB GLN 31 1HB GLN 31 0.708 1.008 7.225 234 2HB GLN 31 2HB GLN 31 -0.943 1.459 7.602 235 1HG GLN 31 1HG GLN 31 -1.833 0.060 5.966 236 2HG GLN 31 2HG GLN 31 -0.286 -0.091 5.134 237 1HE2 GLN 31 1HE2 GLN 31 -2.078 -2.166 6.099 238 2HE2 GLN 31 2HE2 GLN 31 -1.158 -3.130 7.198 239 H TRP 32 H TRP 32 2.454 2.753 5.861 240 HA TRP 32 HA TRP 32 2.605 2.042 3.025 241 1HB TRP 32 1HB TRP 32 5.061 2.521 4.633 242 2HB TRP 32 2HB TRP 32 4.658 3.064 3.009 243 HD1 TRP 32 HD1 TRP 32 2.874 3.859 6.380 244 HE1 TRP 32 HE1 TRP 32 2.716 6.419 6.588 245 HE3 TRP 32 HE3 TRP 32 5.389 5.159 2.141 246 HZ2 TRP 32 HZ2 TRP 32 3.560 8.695 5.139 247 HZ3 TRP 32 HZ3 TRP 32 5.667 7.530 1.619 248 HH2 TRP 32 HH2 TRP 32 4.779 9.273 3.083 249 H GLU 33 H GLU 33 1.848 -0.191 3.629 250 HA GLU 33 HA GLU 33 4.155 -1.909 3.727 251 1HB GLU 33 1HB GLU 33 3.755 -1.682 6.110 252 2HB GLU 33 2HB GLU 33 2.074 -2.169 5.890 253 1HG GLU 33 1HG GLU 33 3.225 -4.247 4.715 254 2HG GLU 33 2HG GLU 33 4.551 -3.791 5.791 255 H ASP 34 H ASP 34 3.789 -4.060 3.005 256 HA ASP 34 HA ASP 34 1.546 -4.444 1.304 257 1HB ASP 34 1HB ASP 34 2.285 -6.763 1.121 258 2HB ASP 34 2HB ASP 34 3.705 -5.722 1.093 259 HA PRO 35 HA PRO 35 -1.186 -5.344 4.718 260 1HB PRO 35 1HB PRO 35 -3.349 -5.849 2.903 261 2HB PRO 35 2HB PRO 35 -2.980 -4.360 3.779 262 1HG PRO 35 1HG PRO 35 -2.822 -4.535 1.080 263 2HG PRO 35 2HG PRO 35 -1.775 -3.469 2.027 264 1HD PRO 35 1HD PRO 35 -1.190 -6.276 1.092 265 2HD PRO 35 2HD PRO 35 -0.228 -4.816 0.796 266 H ARG 36 H ARG 36 0.342 -7.676 3.612 267 HA ARG 36 HA ARG 36 -0.956 -9.917 2.944 268 1HB ARG 36 1HB ARG 36 1.384 -10.013 3.441 269 2HB ARG 36 2HB ARG 36 1.102 -9.617 5.131 270 1HG ARG 36 1HG ARG 36 1.634 -11.994 4.763 271 2HG ARG 36 2HG ARG 36 0.053 -11.748 5.508 272 1HD ARG 36 1HD ARG 36 -1.030 -12.063 3.352 273 2HD ARG 36 2HD ARG 36 0.542 -12.250 2.574 274 HE ARG 36 HE ARG 36 0.428 -14.158 4.571 275 1HH1 ARG 36 1HH1 ARG 36 -1.355 -13.374 1.685 276 2HH1 ARG 36 2HH1 ARG 36 -1.796 -15.016 1.355 277 1HH2 ARG 36 1HH2 ARG 36 -0.147 -16.325 4.145 278 2HH2 ARG 36 2HH2 ARG 36 -1.109 -16.693 2.754 279 H SER 37 H SER 37 -0.498 -9.278 6.421 280 HA SER 37 HA SER 37 -2.462 -11.058 7.285 281 1HB SER 37 1HB SER 37 -2.344 -9.862 9.444 282 2HB SER 37 2HB SER 37 -0.739 -10.171 8.783 283 HG SER 37 HG SER 37 -0.673 -8.076 9.352 Start of MODEL 4 1 1H GLY 1 1H GLY 1 3.983 -12.847 -11.104 2 2H GLY 1 2H GLY 1 5.236 -12.733 -12.236 3 3H GLY 1 3H GLY 1 3.677 -13.154 -12.739 4 1HA GLY 1 1HA GLY 1 4.135 -10.863 -13.308 5 2HA GLY 1 2HA GLY 1 2.843 -10.979 -12.124 6 H ALA 2 H ALA 2 4.691 -11.625 -9.936 7 HA ALA 2 HA ALA 2 5.991 -10.602 -8.366 8 1HB ALA 2 1HB ALA 2 7.582 -10.205 -10.185 9 2HB ALA 2 2HB ALA 2 7.565 -8.869 -9.034 10 3HB ALA 2 3HB ALA 2 6.744 -8.707 -10.587 11 H MET 3 H MET 3 4.852 -7.903 -10.393 12 HA MET 3 HA MET 3 3.783 -5.968 -9.885 13 1HB MET 3 1HB MET 3 1.721 -6.222 -8.511 14 2HB MET 3 2HB MET 3 1.856 -7.385 -9.821 15 1HG MET 3 1HG MET 3 1.030 -8.520 -7.908 16 2HG MET 3 2HG MET 3 2.690 -9.047 -8.175 17 1HE MET 3 1HE MET 3 2.681 -10.070 -5.685 18 2HE MET 3 2HE MET 3 1.027 -9.495 -5.476 19 3HE MET 3 3HE MET 3 2.249 -9.126 -4.259 20 H GLY 4 H GLY 4 3.880 -4.207 -8.583 21 1HA GLY 4 1HA GLY 4 5.800 -4.161 -6.534 22 2HA GLY 4 2HA GLY 4 4.671 -2.870 -6.902 23 HA PRO 5 HA PRO 5 4.072 -4.616 -2.485 24 1HB PRO 5 1HB PRO 5 3.668 -1.675 -2.287 25 2HB PRO 5 2HB PRO 5 4.418 -2.795 -1.145 26 1HG PRO 5 1HG PRO 5 5.914 -1.207 -2.676 27 2HG PRO 5 2HG PRO 5 6.414 -2.869 -2.314 28 1HD PRO 5 1HD PRO 5 5.332 -1.727 -4.835 29 2HD PRO 5 2HD PRO 5 6.451 -3.081 -4.592 30 H LEU 6 H LEU 6 2.251 -5.348 -4.021 31 HA LEU 6 HA LEU 6 -0.158 -4.326 -2.819 32 1HB LEU 6 1HB LEU 6 -0.115 -4.499 -5.828 33 2HB LEU 6 2HB LEU 6 -1.403 -3.903 -4.818 34 HG LEU 6 HG LEU 6 -0.108 -1.925 -4.265 35 1HD1 LEU 6 1HD1 LEU 6 2.043 -3.479 -5.489 36 2HD1 LEU 6 2HD1 LEU 6 2.080 -2.226 -4.248 37 3HD1 LEU 6 3HD1 LEU 6 1.995 -1.776 -5.950 38 1HD2 LEU 6 1HD2 LEU 6 0.085 -2.281 -7.241 39 2HD2 LEU 6 2HD2 LEU 6 -0.303 -0.823 -6.329 40 3HD2 LEU 6 3HD2 LEU 6 -1.467 -2.141 -6.425 41 HA PRO 7 HA PRO 7 0.054 -8.839 -3.249 42 1HB PRO 7 1HB PRO 7 -1.156 -8.585 -0.585 43 2HB PRO 7 2HB PRO 7 0.213 -9.600 -1.086 44 1HG PRO 7 1HG PRO 7 0.653 -7.419 0.375 45 2HG PRO 7 2HG PRO 7 1.729 -7.801 -0.986 46 1HD PRO 7 1HD PRO 7 -0.571 -5.864 -0.894 47 2HD PRO 7 2HD PRO 7 1.055 -5.594 -1.538 48 HA PRO 8 HA PRO 8 -4.670 -8.680 -2.705 49 1HB PRO 8 1HB PRO 8 -5.384 -6.471 -1.049 50 2HB PRO 8 2HB PRO 8 -5.356 -8.175 -0.575 51 1HG PRO 8 1HG PRO 8 -3.694 -6.179 0.422 52 2HG PRO 8 2HG PRO 8 -3.380 -7.918 0.523 53 1HD PRO 8 1HD PRO 8 -2.271 -5.936 -1.438 54 2HD PRO 8 2HD PRO 8 -1.496 -7.289 -0.649 55 H GLY 9 H GLY 9 -6.597 -6.977 -3.208 56 1HA GLY 9 1HA GLY 9 -5.842 -5.458 -5.470 57 2HA GLY 9 2HA GLY 9 -7.365 -5.275 -4.595 58 H TRP 10 H TRP 10 -4.062 -4.150 -4.889 59 HA TRP 10 HA TRP 10 -4.718 -1.909 -3.090 60 1HB TRP 10 1HB TRP 10 -2.278 -3.658 -3.150 61 2HB TRP 10 2HB TRP 10 -2.242 -2.077 -2.383 62 HD1 TRP 10 HD1 TRP 10 -4.472 -5.147 -2.367 63 HE1 TRP 10 HE1 TRP 10 -5.323 -5.637 0.005 64 HE3 TRP 10 HE3 TRP 10 -2.185 -1.338 0.083 65 HZ2 TRP 10 HZ2 TRP 10 -4.972 -4.610 2.582 66 HZ3 TRP 10 HZ3 TRP 10 -2.412 -1.231 2.533 67 HH2 TRP 10 HH2 TRP 10 -3.782 -2.812 3.725 68 H GLU 11 H GLU 11 -3.781 0.045 -3.436 69 HA GLU 11 HA GLU 11 -2.410 0.377 -6.020 70 1HB GLU 11 1HB GLU 11 -4.599 1.574 -5.765 71 2HB GLU 11 2HB GLU 11 -3.908 2.464 -4.415 72 1HG GLU 11 1HG GLU 11 -3.569 2.845 -7.291 73 2HG GLU 11 2HG GLU 11 -3.417 3.987 -5.961 74 H LYS 12 H LYS 12 -0.368 -0.044 -5.237 75 HA LYS 12 HA LYS 12 0.628 1.705 -3.096 76 1HB LYS 12 1HB LYS 12 1.408 -1.038 -3.984 77 2HB LYS 12 2HB LYS 12 2.572 -0.047 -3.129 78 1HG LYS 12 1HG LYS 12 1.512 -1.446 -1.550 79 2HG LYS 12 2HG LYS 12 0.907 0.186 -1.293 80 1HD LYS 12 1HD LYS 12 -0.811 -1.110 -3.168 81 2HD LYS 12 2HD LYS 12 -0.568 -2.171 -1.779 82 1HE LYS 12 1HE LYS 12 -1.248 -0.544 -0.271 83 2HE LYS 12 2HE LYS 12 -1.186 0.741 -1.475 84 1HZ LYS 12 1HZ LYS 12 -3.030 -0.434 -2.638 85 2HZ LYS 12 2HZ LYS 12 -3.455 0.185 -1.124 86 3HZ LYS 12 3HZ LYS 12 -3.159 -1.466 -1.308 87 H ARG 13 H ARG 13 2.600 2.714 -3.305 88 HA ARG 13 HA ARG 13 3.897 2.696 -5.913 89 1HB ARG 13 1HB ARG 13 3.721 5.068 -6.258 90 2HB ARG 13 2HB ARG 13 2.100 4.421 -6.038 91 1HG ARG 13 1HG ARG 13 2.057 5.213 -3.754 92 2HG ARG 13 2HG ARG 13 3.717 5.791 -3.901 93 1HD ARG 13 1HD ARG 13 1.332 6.779 -5.459 94 2HD ARG 13 2HD ARG 13 2.144 7.627 -4.143 95 HE ARG 13 HE ARG 13 3.909 6.964 -6.298 96 1HH1 ARG 13 1HH1 ARG 13 1.554 9.264 -5.167 97 2HH1 ARG 13 2HH1 ARG 13 2.176 10.568 -6.125 98 1HH2 ARG 13 1HH2 ARG 13 4.737 8.671 -7.563 99 2HH2 ARG 13 2HH2 ARG 13 3.985 10.229 -7.488 100 H THR 14 H THR 14 6.006 3.445 -5.895 101 HA THR 14 HA THR 14 7.104 4.085 -3.241 102 HB THR 14 HB THR 14 9.181 2.903 -3.902 103 HG1 THR 14 HG1 THR 14 9.367 2.376 -5.936 104 1HG2 THR 14 1HG2 THR 14 8.313 0.624 -3.625 105 2HG2 THR 14 2HG2 THR 14 6.686 1.202 -3.987 106 3HG2 THR 14 3HG2 THR 14 7.514 1.756 -2.532 107 H ASP 15 H ASP 15 7.063 6.278 -3.650 108 HA ASP 15 HA ASP 15 8.527 7.335 -5.936 109 1HB ASP 15 1HB ASP 15 6.372 8.357 -5.270 110 2HB ASP 15 2HB ASP 15 7.062 8.766 -3.701 111 H SER 16 H SER 16 10.352 8.733 -5.696 112 HA SER 16 HA SER 16 12.298 7.891 -3.860 113 1HB SER 16 1HB SER 16 12.631 9.290 -6.019 114 2HB SER 16 2HB SER 16 12.250 10.698 -5.034 115 HG SER 16 HG SER 16 14.350 8.847 -4.565 116 H ASN 17 H ASN 17 9.649 10.080 -3.225 117 HA ASN 17 HA ASN 17 10.662 11.324 -0.968 118 1HB ASN 17 1HB ASN 17 8.174 9.538 -1.040 119 2HB ASN 17 2HB ASN 17 8.544 10.693 0.237 120 1HD2 ASN 17 1HD2 ASN 17 7.432 10.262 -3.010 121 2HD2 ASN 17 2HD2 ASN 17 6.877 11.880 -3.257 122 H GLY 18 H GLY 18 10.484 8.448 -2.347 123 1HA GLY 18 1HA GLY 18 11.310 6.415 -2.238 124 2HA GLY 18 2HA GLY 18 12.614 7.138 -1.343 125 H ARG 19 H ARG 19 9.257 6.382 -0.958 126 HA ARG 19 HA ARG 19 9.759 4.661 1.369 127 1HB ARG 19 1HB ARG 19 8.684 7.236 1.597 128 2HB ARG 19 2HB ARG 19 7.295 6.162 1.667 129 1HG ARG 19 1HG ARG 19 8.153 6.654 3.887 130 2HG ARG 19 2HG ARG 19 8.307 4.938 3.504 131 1HD ARG 19 1HD ARG 19 10.672 6.198 2.624 132 2HD ARG 19 2HD ARG 19 10.337 6.813 4.241 133 HE ARG 19 HE ARG 19 10.030 4.180 4.590 134 1HH1 ARG 19 1HH1 ARG 19 12.528 6.027 3.021 135 2HH1 ARG 19 2HH1 ARG 19 13.780 4.884 3.378 136 1HH2 ARG 19 1HH2 ARG 19 11.670 2.666 5.067 137 2HH2 ARG 19 2HH2 ARG 19 13.292 2.973 4.541 138 H VAL 20 H VAL 20 8.197 3.027 1.654 139 HA VAL 20 HA VAL 20 6.572 2.515 -0.738 140 HB VAL 20 HB VAL 20 6.469 0.186 0.027 141 1HG1 VAL 20 1HG1 VAL 20 8.305 0.865 -1.426 142 2HG1 VAL 20 2HG1 VAL 20 8.826 -0.390 -0.301 143 3HG1 VAL 20 3HG1 VAL 20 9.276 1.291 -0.016 144 1HG2 VAL 20 1HG2 VAL 20 6.524 0.522 2.418 145 2HG2 VAL 20 2HG2 VAL 20 8.163 1.166 2.323 146 3HG2 VAL 20 3HG2 VAL 20 7.859 -0.530 1.945 147 H TYR 21 H TYR 21 4.552 3.331 -0.505 148 HA TYR 21 HA TYR 21 3.231 2.825 2.074 149 1HB TYR 21 1HB TYR 21 2.355 4.917 2.152 150 2HB TYR 21 2HB TYR 21 3.831 5.258 1.272 151 HD1 TYR 21 HD1 TYR 21 0.198 4.624 0.777 152 HD2 TYR 21 HD2 TYR 21 3.790 6.270 -0.824 153 HE1 TYR 21 HE1 TYR 21 -1.083 5.658 -1.053 154 HE2 TYR 21 HE2 TYR 21 2.509 7.310 -2.641 155 HH TYR 21 HH TYR 21 -0.848 7.580 -2.607 156 H PHE 22 H PHE 22 0.987 2.404 2.082 157 HA PHE 22 HA PHE 22 -0.006 1.237 -0.427 158 1HB PHE 22 1HB PHE 22 -0.112 0.195 2.396 159 2HB PHE 22 2HB PHE 22 -1.285 -0.329 1.200 160 HD1 PHE 22 HD1 PHE 22 2.362 0.326 0.957 161 HD2 PHE 22 HD2 PHE 22 -0.765 -2.562 0.626 162 HE1 PHE 22 HE1 PHE 22 3.962 -1.338 0.161 163 HE2 PHE 22 HE2 PHE 22 0.838 -4.196 -0.168 164 HZ PHE 22 HZ PHE 22 3.175 -3.579 -0.395 165 H VAL 23 H VAL 23 -1.995 1.814 -1.073 166 HA VAL 23 HA VAL 23 -3.696 3.206 0.879 167 HB VAL 23 HB VAL 23 -4.693 4.359 -1.217 168 1HG1 VAL 23 1HG1 VAL 23 -3.634 5.612 0.513 169 2HG1 VAL 23 2HG1 VAL 23 -2.983 6.176 -1.027 170 3HG1 VAL 23 3HG1 VAL 23 -2.034 5.091 -0.011 171 1HG2 VAL 23 1HG2 VAL 23 -3.068 4.791 -2.993 172 2HG2 VAL 23 2HG2 VAL 23 -3.467 3.076 -2.882 173 3HG2 VAL 23 3HG2 VAL 23 -1.939 3.670 -2.232 174 H ASN 24 H ASN 24 -5.098 1.705 1.430 175 HA ASN 24 HA ASN 24 -6.508 0.247 -0.703 176 1HB ASN 24 1HB ASN 24 -7.132 -1.370 1.106 177 2HB ASN 24 2HB ASN 24 -5.401 -1.294 0.799 178 1HD2 ASN 24 1HD2 ASN 24 -4.057 -0.265 2.308 179 2HD2 ASN 24 2HD2 ASN 24 -4.561 -0.021 3.942 180 H HIS 25 H HIS 25 -8.567 0.874 -1.053 181 HA HIS 25 HA HIS 25 -9.818 2.381 1.125 182 1HB HIS 25 1HB HIS 25 -10.041 2.808 -1.850 183 2HB HIS 25 2HB HIS 25 -11.094 3.585 -0.673 184 HD1 HIS 25 HD1 HIS 25 -10.143 5.548 0.648 185 HD2 HIS 25 HD2 HIS 25 -7.367 3.743 -1.860 186 HE1 HIS 25 HE1 HIS 25 -8.166 7.100 0.607 187 HE2 HIS 25 HE2 HIS 25 -6.550 6.046 -1.014 188 H ASN 26 H ASN 26 -10.666 0.434 1.885 189 HA ASN 26 HA ASN 26 -12.929 -0.670 0.405 190 1HB ASN 26 1HB ASN 26 -13.197 -2.059 2.540 191 2HB ASN 26 2HB ASN 26 -11.712 -2.346 1.639 192 1HD2 ASN 26 1HD2 ASN 26 -9.761 -1.385 2.414 193 2HD2 ASN 26 2HD2 ASN 26 -9.578 -1.031 4.095 194 H THR 27 H THR 27 -12.640 0.134 3.801 195 HA THR 27 HA THR 27 -14.952 1.903 3.647 196 HB THR 27 HB THR 27 -13.332 0.992 6.049 197 HG1 THR 27 HG1 THR 27 -15.202 -0.300 6.455 198 1HG2 THR 27 1HG2 THR 27 -15.171 1.924 7.385 199 2HG2 THR 27 2HG2 THR 27 -15.935 2.522 5.912 200 3HG2 THR 27 3HG2 THR 27 -14.376 3.170 6.422 201 H ARG 28 H ARG 28 -12.072 2.143 5.654 202 HA ARG 28 HA ARG 28 -10.978 4.387 4.194 203 1HB ARG 28 1HB ARG 28 -10.978 5.887 6.163 204 2HB ARG 28 2HB ARG 28 -12.599 5.535 5.583 205 1HG ARG 28 1HG ARG 28 -12.076 3.578 7.496 206 2HG ARG 28 2HG ARG 28 -11.441 5.079 8.174 207 1HD ARG 28 1HD ARG 28 -14.231 4.602 7.131 208 2HD ARG 28 2HD ARG 28 -13.756 4.802 8.818 209 HE ARG 28 HE ARG 28 -12.912 7.077 7.498 210 1HH1 ARG 28 1HH1 ARG 28 -15.931 5.460 8.127 211 2HH1 ARG 28 2HH1 ARG 28 -16.865 6.918 8.117 212 1HH2 ARG 28 1HH2 ARG 28 -14.133 9.005 7.481 213 2HH2 ARG 28 2HH2 ARG 28 -15.842 8.934 7.750 214 H ILE 29 H ILE 29 -9.044 3.009 3.961 215 HA ILE 29 HA ILE 29 -7.498 2.956 6.453 216 HB ILE 29 HB ILE 29 -7.986 0.489 4.795 217 1HG1 ILE 29 1HG1 ILE 29 -9.799 1.061 6.363 218 2HG1 ILE 29 2HG1 ILE 29 -8.960 -0.408 6.851 219 1HG2 ILE 29 1HG2 ILE 29 -6.514 -0.650 6.392 220 2HG2 ILE 29 2HG2 ILE 29 -6.153 0.899 7.153 221 3HG2 ILE 29 3HG2 ILE 29 -5.660 0.600 5.487 222 1HD1 ILE 29 1HD1 ILE 29 -7.733 0.829 8.536 223 2HD1 ILE 29 2HD1 ILE 29 -9.471 1.045 8.746 224 3HD1 ILE 29 3HD1 ILE 29 -8.505 2.328 8.018 225 H TPO 30 H TPO 30 -5.377 3.325 6.232 226 HA TPO 30 HA TPO 30 -4.014 2.797 3.722 227 HB TPO 30 HB TPO 30 -3.809 5.581 4.850 228 1HG2 TPO 30 1HG2 TPO 30 -1.976 4.815 3.426 229 2HG2 TPO 30 2HG2 TPO 30 -2.909 6.077 2.623 230 3HG2 TPO 30 3HG2 TPO 30 -3.128 4.389 2.159 231 H GLN 31 H GLN 31 -2.060 2.023 4.117 232 HA GLN 31 HA GLN 31 -0.453 2.944 6.368 233 1HB GLN 31 1HB GLN 31 0.031 0.406 6.816 234 2HB GLN 31 2HB GLN 31 -1.355 1.174 7.555 235 1HG GLN 31 1HG GLN 31 -2.420 -0.643 6.778 236 2HG GLN 31 2HG GLN 31 -2.502 0.314 5.301 237 1HE2 GLN 31 1HE2 GLN 31 0.429 -0.008 4.908 238 2HE2 GLN 31 2HE2 GLN 31 0.626 -1.605 4.284 239 H TRP 32 H TRP 32 1.852 2.463 6.042 240 HA TRP 32 HA TRP 32 2.360 1.843 3.223 241 1HB TRP 32 1HB TRP 32 4.547 2.441 5.154 242 2HB TRP 32 2HB TRP 32 4.367 2.941 3.478 243 HD1 TRP 32 HD1 TRP 32 2.018 3.676 6.498 244 HE1 TRP 32 HE1 TRP 32 1.701 6.227 6.627 245 HE3 TRP 32 HE3 TRP 32 5.155 5.056 2.729 246 HZ2 TRP 32 HZ2 TRP 32 2.667 8.529 5.298 247 HZ3 TRP 32 HZ3 TRP 32 5.394 7.433 2.207 248 HH2 TRP 32 HH2 TRP 32 4.189 9.145 3.467 249 H GLU 33 H GLU 33 1.665 -0.444 3.704 250 HA GLU 33 HA GLU 33 4.061 -2.018 3.968 251 1HB GLU 33 1HB GLU 33 3.481 -1.937 6.296 252 2HB GLU 33 2HB GLU 33 1.823 -2.424 5.938 253 1HG GLU 33 1HG GLU 33 3.096 -4.444 4.764 254 2HG GLU 33 2HG GLU 33 4.306 -4.029 5.986 255 H ASP 34 H ASP 34 3.916 -4.151 3.135 256 HA ASP 34 HA ASP 34 1.809 -4.649 1.277 257 1HB ASP 34 1HB ASP 34 2.761 -7.032 1.314 258 2HB ASP 34 2HB ASP 34 3.889 -5.764 0.840 259 HA PRO 35 HA PRO 35 -0.894 -6.034 4.554 260 1HB PRO 35 1HB PRO 35 -3.045 -6.396 2.732 261 2HB PRO 35 2HB PRO 35 -2.662 -4.953 3.675 262 1HG PRO 35 1HG PRO 35 -2.536 -5.031 0.951 263 2HG PRO 35 2HG PRO 35 -1.534 -3.957 1.936 264 1HD PRO 35 1HD PRO 35 -0.835 -6.707 0.913 265 2HD PRO 35 2HD PRO 35 0.067 -5.206 0.664 266 H ARG 36 H ARG 36 0.456 -8.121 2.462 267 HA ARG 36 HA ARG 36 -0.919 -10.270 1.836 268 1HB ARG 36 1HB ARG 36 0.943 -11.631 2.186 269 2HB ARG 36 2HB ARG 36 1.636 -10.024 2.037 270 1HG ARG 36 1HG ARG 36 1.014 -11.272 4.696 271 2HG ARG 36 2HG ARG 36 2.556 -11.498 3.871 272 1HD ARG 36 1HD ARG 36 2.831 -9.708 5.414 273 2HD ARG 36 2HD ARG 36 2.781 -9.008 3.796 274 HE ARG 36 HE ARG 36 0.261 -8.721 4.472 275 1HH1 ARG 36 1HH1 ARG 36 3.098 -8.214 6.423 276 2HH1 ARG 36 2HH1 ARG 36 2.356 -7.002 7.414 277 1HH2 ARG 36 1HH2 ARG 36 -0.727 -7.132 5.768 278 2HH2 ARG 36 2HH2 ARG 36 0.181 -6.387 7.041 279 H SER 37 H SER 37 0.056 -9.734 5.221 280 HA SER 37 HA SER 37 -2.422 -10.848 6.166 281 1HB SER 37 1HB SER 37 -1.365 -12.631 7.520 282 2HB SER 37 2HB SER 37 -1.161 -12.908 5.790 283 HG SER 37 HG SER 37 0.745 -13.100 7.314 Start of MODEL 5 1 1H GLY 1 1H GLY 1 1.248 -7.145 -10.649 2 2H GLY 1 2H GLY 1 2.427 -6.218 -9.865 3 3H GLY 1 3H GLY 1 0.794 -5.798 -9.730 4 1HA GLY 1 1HA GLY 1 1.549 -6.866 -7.708 5 2HA GLY 1 2HA GLY 1 0.324 -7.829 -8.521 6 H ALA 2 H ALA 2 0.888 -9.792 -9.461 7 HA ALA 2 HA ALA 2 2.016 -11.762 -9.631 8 1HB ALA 2 1HB ALA 2 3.433 -10.445 -11.131 9 2HB ALA 2 2HB ALA 2 4.369 -11.658 -10.258 10 3HB ALA 2 3HB ALA 2 4.438 -9.967 -9.762 11 H MET 3 H MET 3 4.502 -9.949 -7.864 12 HA MET 3 HA MET 3 3.883 -11.199 -5.358 13 1HB MET 3 1HB MET 3 5.987 -12.439 -5.126 14 2HB MET 3 2HB MET 3 5.020 -13.064 -6.454 15 1HG MET 3 1HG MET 3 6.416 -11.776 -8.029 16 2HG MET 3 2HG MET 3 7.418 -11.259 -6.674 17 1HE MET 3 1HE MET 3 8.797 -13.003 -5.135 18 2HE MET 3 2HE MET 3 8.820 -14.740 -5.437 19 3HE MET 3 3HE MET 3 7.331 -13.957 -4.909 20 H GLY 4 H GLY 4 3.874 -9.147 -4.507 21 1HA GLY 4 1HA GLY 4 5.979 -8.069 -3.249 22 2HA GLY 4 2HA GLY 4 6.179 -7.417 -4.867 23 HA PRO 5 HA PRO 5 4.043 -4.132 -2.261 24 1HB PRO 5 1HB PRO 5 4.638 -3.071 -5.006 25 2HB PRO 5 2HB PRO 5 4.714 -2.244 -3.446 26 1HG PRO 5 1HG PRO 5 6.910 -3.258 -4.689 27 2HG PRO 5 2HG PRO 5 6.767 -3.119 -2.930 28 1HD PRO 5 1HD PRO 5 6.853 -5.521 -4.563 29 2HD PRO 5 2HD PRO 5 6.898 -5.375 -2.796 30 H LEU 6 H LEU 6 2.051 -3.155 -2.543 31 HA LEU 6 HA LEU 6 -0.185 -3.446 -2.865 32 1HB LEU 6 1HB LEU 6 -0.037 -3.167 -5.757 33 2HB LEU 6 2HB LEU 6 -0.801 -2.139 -4.570 34 HG LEU 6 HG LEU 6 0.717 -0.607 -4.991 35 1HD1 LEU 6 1HD1 LEU 6 2.982 -2.404 -4.255 36 2HD1 LEU 6 2HD1 LEU 6 1.843 -1.822 -3.042 37 3HD1 LEU 6 3HD1 LEU 6 2.801 -0.673 -3.978 38 1HD2 LEU 6 1HD2 LEU 6 2.219 -2.687 -6.571 39 2HD2 LEU 6 2HD2 LEU 6 2.544 -0.953 -6.597 40 3HD2 LEU 6 3HD2 LEU 6 1.004 -1.570 -7.192 41 HA PRO 7 HA PRO 7 -0.041 -7.770 -4.229 42 1HB PRO 7 1HB PRO 7 -1.487 -8.099 -1.715 43 2HB PRO 7 2HB PRO 7 -0.046 -8.967 -2.282 44 1HG PRO 7 1HG PRO 7 0.144 -7.165 -0.314 45 2HG PRO 7 2HG PRO 7 1.404 -7.271 -1.563 46 1HD PRO 7 1HD PRO 7 -0.909 -5.356 -1.381 47 2HD PRO 7 2HD PRO 7 0.786 -4.988 -1.714 48 HA PRO 8 HA PRO 8 -4.790 -7.692 -3.925 49 1HB PRO 8 1HB PRO 8 -5.625 -5.715 -2.037 50 2HB PRO 8 2HB PRO 8 -5.672 -7.469 -1.832 51 1HG PRO 8 1HG PRO 8 -4.063 -5.694 -0.413 52 2HG PRO 8 2HG PRO 8 -3.821 -7.442 -0.524 53 1HD PRO 8 1HD PRO 8 -2.420 -5.265 -2.020 54 2HD PRO 8 2HD PRO 8 -1.821 -6.796 -1.430 55 H GLY 9 H GLY 9 -6.661 -6.061 -4.481 56 1HA GLY 9 1HA GLY 9 -5.769 -4.219 -6.410 57 2HA GLY 9 2HA GLY 9 -7.382 -4.223 -5.696 58 H TRP 10 H TRP 10 -4.070 -3.102 -5.256 59 HA TRP 10 HA TRP 10 -5.064 -1.059 -3.369 60 1HB TRP 10 1HB TRP 10 -2.477 -2.601 -3.468 61 2HB TRP 10 2HB TRP 10 -2.641 -1.125 -2.530 62 HD1 TRP 10 HD1 TRP 10 -4.671 -4.290 -2.978 63 HE1 TRP 10 HE1 TRP 10 -5.586 -5.063 -0.697 64 HE3 TRP 10 HE3 TRP 10 -2.547 -0.727 -0.075 65 HZ2 TRP 10 HZ2 TRP 10 -5.331 -4.287 2.005 66 HZ3 TRP 10 HZ3 TRP 10 -2.848 -0.859 2.358 67 HH2 TRP 10 HH2 TRP 10 -4.205 -2.580 3.352 68 H GLU 11 H GLU 11 -4.283 1.003 -3.446 69 HA GLU 11 HA GLU 11 -2.925 1.737 -5.945 70 1HB GLU 11 1HB GLU 11 -5.104 2.825 -5.561 71 2HB GLU 11 2HB GLU 11 -4.526 3.445 -4.021 72 1HG GLU 11 1HG GLU 11 -2.884 4.812 -5.144 73 2HG GLU 11 2HG GLU 11 -3.351 4.136 -6.704 74 H LYS 12 H LYS 12 -0.865 1.226 -5.264 75 HA LYS 12 HA LYS 12 0.224 2.739 -2.990 76 1HB LYS 12 1HB LYS 12 1.141 0.242 -4.377 77 2HB LYS 12 2HB LYS 12 2.195 1.123 -3.297 78 1HG LYS 12 1HG LYS 12 1.181 -0.746 -2.190 79 2HG LYS 12 2HG LYS 12 0.649 0.756 -1.456 80 1HD LYS 12 1HD LYS 12 -1.205 -0.006 -3.521 81 2HD LYS 12 2HD LYS 12 -0.939 -1.342 -2.399 82 1HE LYS 12 1HE LYS 12 -1.455 -0.033 -0.538 83 2HE LYS 12 2HE LYS 12 -1.433 1.461 -1.469 84 1HZ LYS 12 1HZ LYS 12 -3.494 -0.657 -1.456 85 2HZ LYS 12 2HZ LYS 12 -3.378 0.443 -2.731 86 3HZ LYS 12 3HZ LYS 12 -3.680 0.998 -1.164 87 H ARG 13 H ARG 13 2.188 3.803 -3.226 88 HA ARG 13 HA ARG 13 3.141 4.246 -5.951 89 1HB ARG 13 1HB ARG 13 1.632 6.015 -5.909 90 2HB ARG 13 2HB ARG 13 1.915 6.350 -4.209 91 1HG ARG 13 1HG ARG 13 2.846 8.089 -5.634 92 2HG ARG 13 2HG ARG 13 4.111 7.251 -4.735 93 1HD ARG 13 1HD ARG 13 4.792 7.620 -7.037 94 2HD ARG 13 2HD ARG 13 4.612 5.897 -6.710 95 HE ARG 13 HE ARG 13 2.197 6.655 -7.733 96 1HH1 ARG 13 1HH1 ARG 13 5.503 6.868 -8.811 97 2HH1 ARG 13 2HH1 ARG 13 5.098 6.760 -10.491 98 1HH2 ARG 13 1HH2 ARG 13 1.653 6.513 -9.941 99 2HH2 ARG 13 2HH2 ARG 13 2.907 6.560 -11.134 100 H THR 14 H THR 14 5.241 4.848 -6.134 101 HA THR 14 HA THR 14 6.767 5.025 -3.621 102 HB THR 14 HB THR 14 8.652 3.969 -4.753 103 HG1 THR 14 HG1 THR 14 6.875 3.860 -6.980 104 1HG2 THR 14 1HG2 THR 14 6.099 2.393 -5.096 105 2HG2 THR 14 2HG2 THR 14 7.049 2.518 -3.615 106 3HG2 THR 14 3HG2 THR 14 7.726 1.716 -5.031 107 H ASP 15 H ASP 15 6.715 7.263 -3.567 108 HA ASP 15 HA ASP 15 8.080 8.683 -5.752 109 1HB ASP 15 1HB ASP 15 5.825 9.514 -5.158 110 2HB ASP 15 2HB ASP 15 6.367 9.775 -3.502 111 H SER 16 H SER 16 9.794 10.154 -5.216 112 HA SER 16 HA SER 16 11.701 9.226 -3.433 113 1HB SER 16 1HB SER 16 11.973 11.055 -5.239 114 2HB SER 16 2HB SER 16 11.374 12.192 -4.035 115 HG SER 16 HG SER 16 13.403 10.531 -3.175 116 H ASN 17 H ASN 17 8.801 10.933 -2.534 117 HA ASN 17 HA ASN 17 9.577 11.803 -0.019 118 1HB ASN 17 1HB ASN 17 7.112 11.375 -0.863 119 2HB ASN 17 2HB ASN 17 7.374 9.721 -0.318 120 1HD2 ASN 17 1HD2 ASN 17 8.727 12.524 1.256 121 2HD2 ASN 17 2HD2 ASN 17 7.780 12.414 2.697 122 H GLY 18 H GLY 18 9.792 9.267 -1.955 123 1HA GLY 18 1HA GLY 18 10.794 7.318 -2.176 124 2HA GLY 18 2HA GLY 18 12.009 8.007 -1.133 125 H ARG 19 H ARG 19 8.758 6.842 -0.986 126 HA ARG 19 HA ARG 19 9.405 4.745 0.948 127 1HB ARG 19 1HB ARG 19 8.536 7.024 2.017 128 2HB ARG 19 2HB ARG 19 6.985 6.362 1.520 129 1HG ARG 19 1HG ARG 19 7.483 5.821 3.835 130 2HG ARG 19 2HG ARG 19 7.364 4.374 2.833 131 1HD ARG 19 1HD ARG 19 9.247 4.143 4.309 132 2HD ARG 19 2HD ARG 19 9.838 4.353 2.661 133 HE ARG 19 HE ARG 19 10.479 6.586 3.229 134 1HH1 ARG 19 1HH1 ARG 19 9.429 4.639 5.919 135 2HH1 ARG 19 2HH1 ARG 19 10.215 5.624 7.106 136 1HH2 ARG 19 1HH2 ARG 19 11.523 7.887 4.787 137 2HH2 ARG 19 2HH2 ARG 19 11.405 7.470 6.464 138 H VAL 20 H VAL 20 7.850 3.103 1.046 139 HA VAL 20 HA VAL 20 6.158 2.930 -1.349 140 HB VAL 20 HB VAL 20 6.039 0.478 -0.763 141 1HG1 VAL 20 1HG1 VAL 20 8.316 -0.021 -1.561 142 2HG1 VAL 20 2HG1 VAL 20 8.771 1.658 -1.268 143 3HG1 VAL 20 3HG1 VAL 20 7.552 1.274 -2.484 144 1HG2 VAL 20 1HG2 VAL 20 7.689 -0.409 0.800 145 2HG2 VAL 20 2HG2 VAL 20 6.582 0.696 1.616 146 3HG2 VAL 20 3HG2 VAL 20 8.209 1.229 1.195 147 H TYR 21 H TYR 21 4.364 4.091 -0.649 148 HA TYR 21 HA TYR 21 3.089 3.254 1.843 149 1HB TYR 21 1HB TYR 21 2.088 5.288 1.938 150 2HB TYR 21 2HB TYR 21 3.516 5.708 1.017 151 HD1 TYR 21 HD1 TYR 21 -0.115 5.039 0.716 152 HD2 TYR 21 HD2 TYR 21 3.399 6.506 -1.197 153 HE1 TYR 21 HE1 TYR 21 -1.482 5.957 -1.114 154 HE2 TYR 21 HE2 TYR 21 2.033 7.428 -3.016 155 HH TYR 21 HH TYR 21 -1.322 7.741 -2.818 156 H PHE 22 H PHE 22 0.883 2.719 1.997 157 HA PHE 22 HA PHE 22 -0.276 1.696 -0.498 158 1HB PHE 22 1HB PHE 22 -0.152 0.416 2.218 159 2HB PHE 22 2HB PHE 22 -1.401 -0.033 1.061 160 HD1 PHE 22 HD1 PHE 22 2.251 0.572 1.076 161 HD2 PHE 22 HD2 PHE 22 -0.948 -1.941 -0.232 162 HE1 PHE 22 HE1 PHE 22 3.857 -0.906 -0.031 163 HE2 PHE 22 HE2 PHE 22 0.668 -3.406 -1.325 164 HZ PHE 22 HZ PHE 22 3.046 -2.873 -1.222 165 H VAL 23 H VAL 23 -2.176 2.469 -1.021 166 HA VAL 23 HA VAL 23 -3.850 3.616 1.106 167 HB VAL 23 HB VAL 23 -3.301 4.611 -1.665 168 1HG1 VAL 23 1HG1 VAL 23 -5.289 6.037 -1.560 169 2HG1 VAL 23 2HG1 VAL 23 -5.795 5.226 -0.077 170 3HG1 VAL 23 3HG1 VAL 23 -5.730 4.330 -1.594 171 1HG2 VAL 23 1HG2 VAL 23 -3.148 6.750 -0.513 172 2HG2 VAL 23 2HG2 VAL 23 -2.104 5.555 0.258 173 3HG2 VAL 23 3HG2 VAL 23 -3.645 5.989 0.997 174 H ASN 24 H ASN 24 -4.972 1.741 1.472 175 HA ASN 24 HA ASN 24 -6.674 0.788 -0.737 176 1HB ASN 24 1HB ASN 24 -5.141 -0.902 0.376 177 2HB ASN 24 2HB ASN 24 -6.079 -0.673 1.847 178 1HD2 ASN 24 1HD2 ASN 24 -7.372 -0.641 -1.406 179 2HD2 ASN 24 2HD2 ASN 24 -8.307 -2.087 -1.253 180 H HIS 25 H HIS 25 -8.824 1.236 -0.560 181 HA HIS 25 HA HIS 25 -9.643 2.195 2.093 182 1HB HIS 25 1HB HIS 25 -10.588 3.149 -0.610 183 2HB HIS 25 2HB HIS 25 -11.275 3.659 0.928 184 HD1 HIS 25 HD1 HIS 25 -10.204 5.620 2.026 185 HD2 HIS 25 HD2 HIS 25 -7.789 3.948 -0.911 186 HE1 HIS 25 HE1 HIS 25 -8.246 7.180 1.799 187 HE2 HIS 25 HE2 HIS 25 -6.860 6.210 -0.068 188 H ASN 26 H ASN 26 -10.231 0.053 2.573 189 HA ASN 26 HA ASN 26 -12.767 -0.851 1.434 190 1HB ASN 26 1HB ASN 26 -10.924 -2.030 3.545 191 2HB ASN 26 2HB ASN 26 -12.493 -2.721 3.146 192 1HD2 ASN 26 1HD2 ASN 26 -10.464 -1.230 0.756 193 2HD2 ASN 26 2HD2 ASN 26 -10.028 -2.681 -0.075 194 H THR 27 H THR 27 -11.677 -0.870 4.749 195 HA THR 27 HA THR 27 -13.973 0.702 5.618 196 HB THR 27 HB THR 27 -13.681 -1.127 7.069 197 HG1 THR 27 HG1 THR 27 -13.832 0.774 8.295 198 1HG2 THR 27 1HG2 THR 27 -10.722 -0.547 7.216 199 2HG2 THR 27 2HG2 THR 27 -11.451 -1.783 6.193 200 3HG2 THR 27 3HG2 THR 27 -11.575 -1.906 7.947 201 H ARG 28 H ARG 28 -10.681 0.628 6.855 202 HA ARG 28 HA ARG 28 -10.049 3.295 5.927 203 1HB ARG 28 1HB ARG 28 -10.439 2.619 8.837 204 2HB ARG 28 2HB ARG 28 -9.384 3.931 8.332 205 1HG ARG 28 1HG ARG 28 -12.265 3.755 7.502 206 2HG ARG 28 2HG ARG 28 -11.737 4.567 8.978 207 1HD ARG 28 1HD ARG 28 -12.025 6.110 7.064 208 2HD ARG 28 2HD ARG 28 -10.385 6.101 7.712 209 HE ARG 28 HE ARG 28 -10.862 4.346 5.454 210 1HH1 ARG 28 1HH1 ARG 28 -9.766 7.456 6.570 211 2HH1 ARG 28 2HH1 ARG 28 -8.840 7.788 5.143 212 1HH2 ARG 28 1HH2 ARG 28 -9.646 4.771 3.569 213 2HH2 ARG 28 2HH2 ARG 28 -8.774 6.262 3.438 214 H ILE 29 H ILE 29 -8.291 2.246 4.776 215 HA ILE 29 HA ILE 29 -6.197 1.249 6.607 216 HB ILE 29 HB ILE 29 -6.831 0.192 3.856 217 1HG1 ILE 29 1HG1 ILE 29 -7.064 -1.040 6.609 218 2HG1 ILE 29 2HG1 ILE 29 -8.396 -0.599 5.546 219 1HG2 ILE 29 1HG2 ILE 29 -4.436 0.224 4.232 220 2HG2 ILE 29 2HG2 ILE 29 -5.039 -1.433 4.294 221 3HG2 ILE 29 3HG2 ILE 29 -4.649 -0.579 5.787 222 1HD1 ILE 29 1HD1 ILE 29 -8.039 -2.979 5.494 223 2HD1 ILE 29 2HD1 ILE 29 -6.348 -2.745 5.049 224 3HD1 ILE 29 3HD1 ILE 29 -7.628 -2.280 3.928 225 H TPO 30 H TPO 30 -4.435 2.439 6.609 226 HA TPO 30 HA TPO 30 -3.308 3.403 4.116 227 HB TPO 30 HB TPO 30 -4.476 5.368 4.512 228 1HG2 TPO 30 1HG2 TPO 30 -5.383 4.791 6.708 229 2HG2 TPO 30 2HG2 TPO 30 -4.719 6.425 6.718 230 3HG2 TPO 30 3HG2 TPO 30 -3.813 5.100 7.448 231 H GLN 31 H GLN 31 -1.568 2.111 4.415 232 HA GLN 31 HA GLN 31 0.414 2.982 6.380 233 1HB GLN 31 1HB GLN 31 0.943 0.689 7.038 234 2HB GLN 31 2HB GLN 31 -0.728 1.048 7.422 235 1HG GLN 31 1HG GLN 31 -1.507 -0.183 5.526 236 2HG GLN 31 2HG GLN 31 0.145 -0.421 4.957 237 1HE2 GLN 31 1HE2 GLN 31 1.160 -0.894 7.651 238 2HE2 GLN 31 2HE2 GLN 31 0.654 -2.489 8.078 239 H TRP 32 H TRP 32 2.627 2.505 5.617 240 HA TRP 32 HA TRP 32 2.603 2.064 2.728 241 1HB TRP 32 1HB TRP 32 5.154 2.318 4.241 242 2HB TRP 32 2HB TRP 32 4.671 3.060 2.719 243 HD1 TRP 32 HD1 TRP 32 3.278 3.449 6.347 244 HE1 TRP 32 HE1 TRP 32 3.073 5.972 6.821 245 HE3 TRP 32 HE3 TRP 32 5.139 5.226 1.957 246 HZ2 TRP 32 HZ2 TRP 32 3.634 8.404 5.490 247 HZ3 TRP 32 HZ3 TRP 32 5.255 7.643 1.618 248 HH2 TRP 32 HH2 TRP 32 4.534 9.213 3.348 249 H GLU 33 H GLU 33 1.844 -0.236 3.158 250 HA GLU 33 HA GLU 33 4.135 -1.965 2.937 251 1HB GLU 33 1HB GLU 33 3.865 -1.932 5.364 252 2HB GLU 33 2HB GLU 33 2.192 -2.460 5.184 253 1HG GLU 33 1HG GLU 33 3.380 -4.369 3.754 254 2HG GLU 33 2HG GLU 33 4.706 -3.977 4.855 255 H ASP 34 H ASP 34 3.706 -4.033 2.034 256 HA ASP 34 HA ASP 34 1.325 -4.256 0.490 257 1HB ASP 34 1HB ASP 34 2.094 -6.793 0.482 258 2HB ASP 34 2HB ASP 34 3.033 -5.588 -0.396 259 HA PRO 35 HA PRO 35 -1.092 -5.631 3.976 260 1HB PRO 35 1HB PRO 35 -3.412 -5.904 2.364 261 2HB PRO 35 2HB PRO 35 -2.884 -4.472 3.254 262 1HG PRO 35 1HG PRO 35 -3.014 -4.594 0.520 263 2HG PRO 35 2HG PRO 35 -1.917 -3.523 1.402 264 1HD PRO 35 1HD PRO 35 -1.358 -6.280 0.321 265 2HD PRO 35 2HD PRO 35 -0.441 -4.791 0.033 266 H ARG 36 H ARG 36 0.109 -7.783 3.955 267 HA ARG 36 HA ARG 36 -0.860 -10.033 2.599 268 1HB ARG 36 1HB ARG 36 0.387 -11.349 4.180 269 2HB ARG 36 2HB ARG 36 1.315 -9.902 3.812 270 1HG ARG 36 1HG ARG 36 1.551 -10.022 6.086 271 2HG ARG 36 2HG ARG 36 0.150 -8.959 5.948 272 1HD ARG 36 1HD ARG 36 -0.229 -10.654 7.648 273 2HD ARG 36 2HD ARG 36 -1.332 -10.883 6.290 274 HE ARG 36 HE ARG 36 0.902 -12.466 5.819 275 1HH1 ARG 36 1HH1 ARG 36 -1.689 -12.245 8.134 276 2HH1 ARG 36 2HH1 ARG 36 -1.685 -13.938 8.494 277 1HH2 ARG 36 1HH2 ARG 36 0.917 -14.697 6.285 278 2HH2 ARG 36 2HH2 ARG 36 -0.202 -15.334 7.444 279 H SER 37 H SER 37 -2.675 -8.160 4.411 280 HA SER 37 HA SER 37 -3.976 -10.090 6.113 281 1HB SER 37 1HB SER 37 -4.759 -7.263 5.361 282 2HB SER 37 2HB SER 37 -5.555 -8.241 6.594 283 HG SER 37 HG SER 37 -4.090 -7.515 7.897 Start of MODEL 6 1 1H GLY 1 1H GLY 1 1.086 -10.640 -9.788 2 2H GLY 1 2H GLY 1 0.917 -9.231 -10.709 3 3H GLY 1 3H GLY 1 1.633 -9.160 -9.178 4 1HA GLY 1 1HA GLY 1 2.740 -10.568 -11.546 5 2HA GLY 1 2HA GLY 1 3.305 -9.025 -10.921 6 H ALA 2 H ALA 2 2.273 -11.563 -8.773 7 HA ALA 2 HA ALA 2 3.384 -12.890 -7.292 8 1HB ALA 2 1HB ALA 2 4.562 -13.760 -9.252 9 2HB ALA 2 2HB ALA 2 5.622 -13.686 -7.844 10 3HB ALA 2 3HB ALA 2 5.753 -12.467 -9.110 11 H MET 3 H MET 3 3.571 -11.940 -5.369 12 HA MET 3 HA MET 3 4.209 -10.483 -3.727 13 1HB MET 3 1HB MET 3 6.646 -10.386 -3.365 14 2HB MET 3 2HB MET 3 6.094 -12.019 -3.707 15 1HG MET 3 1HG MET 3 6.842 -11.769 -6.030 16 2HG MET 3 2HG MET 3 7.438 -10.155 -5.650 17 1HE MET 3 1HE MET 3 9.182 -12.487 -6.978 18 2HE MET 3 2HE MET 3 10.700 -12.320 -6.096 19 3HE MET 3 3HE MET 3 9.833 -10.883 -6.639 20 H GLY 4 H GLY 4 5.759 -8.461 -3.307 21 1HA GLY 4 1HA GLY 4 6.659 -6.441 -4.228 22 2HA GLY 4 2HA GLY 4 5.718 -6.729 -5.681 23 HA PRO 5 HA PRO 5 3.533 -3.571 -3.035 24 1HB PRO 5 1HB PRO 5 3.289 -1.685 -4.956 25 2HB PRO 5 2HB PRO 5 4.734 -1.842 -3.959 26 1HG PRO 5 1HG PRO 5 4.236 -2.852 -6.735 27 2HG PRO 5 2HG PRO 5 5.657 -2.007 -6.093 28 1HD PRO 5 1HD PRO 5 5.592 -4.692 -6.397 29 2HD PRO 5 2HD PRO 5 6.489 -3.907 -5.082 30 H LEU 6 H LEU 6 1.401 -2.717 -3.271 31 HA LEU 6 HA LEU 6 -0.801 -3.215 -3.474 32 1HB LEU 6 1HB LEU 6 -0.461 -3.162 -6.442 33 2HB LEU 6 2HB LEU 6 -1.744 -2.483 -5.470 34 HG LEU 6 HG LEU 6 -0.295 -0.691 -4.735 35 1HD1 LEU 6 1HD1 LEU 6 1.761 -2.252 -6.231 36 2HD1 LEU 6 2HD1 LEU 6 1.781 -1.626 -4.577 37 3HD1 LEU 6 3HD1 LEU 6 1.946 -0.517 -5.943 38 1HD2 LEU 6 1HD2 LEU 6 -1.496 -0.233 -6.765 39 2HD2 LEU 6 2HD2 LEU 6 -0.319 -1.128 -7.724 40 3HD2 LEU 6 3HD2 LEU 6 0.141 0.391 -6.956 41 HA PRO 7 HA PRO 7 -0.282 -7.607 -4.484 42 1HB PRO 7 1HB PRO 7 -1.170 -7.973 -1.742 43 2HB PRO 7 2HB PRO 7 0.286 -8.609 -2.526 44 1HG PRO 7 1HG PRO 7 0.436 -6.657 -0.678 45 2HG PRO 7 2HG PRO 7 1.516 -6.673 -2.087 46 1HD PRO 7 1HD PRO 7 -1.014 -5.101 -1.671 47 2HD PRO 7 2HD PRO 7 0.543 -4.525 -2.297 48 HA PRO 8 HA PRO 8 -4.857 -8.193 -3.256 49 1HB PRO 8 1HB PRO 8 -5.639 -6.166 -1.399 50 2HB PRO 8 2HB PRO 8 -5.393 -7.882 -1.065 51 1HG PRO 8 1HG PRO 8 -3.839 -5.772 -0.115 52 2HG PRO 8 2HG PRO 8 -3.377 -7.478 -0.122 53 1HD PRO 8 1HD PRO 8 -2.534 -5.313 -1.990 54 2HD PRO 8 2HD PRO 8 -1.679 -6.735 -1.443 55 H GLY 9 H GLY 9 -4.192 -6.620 -5.408 56 1HA GLY 9 1HA GLY 9 -4.937 -4.897 -6.800 57 2HA GLY 9 2HA GLY 9 -6.512 -5.263 -6.093 58 H TRP 10 H TRP 10 -3.482 -3.683 -5.231 59 HA TRP 10 HA TRP 10 -4.958 -1.678 -3.640 60 1HB TRP 10 1HB TRP 10 -2.315 -3.050 -3.385 61 2HB TRP 10 2HB TRP 10 -2.529 -1.481 -2.636 62 HD1 TRP 10 HD1 TRP 10 -4.723 -4.578 -2.898 63 HE1 TRP 10 HE1 TRP 10 -5.627 -5.212 -0.570 64 HE3 TRP 10 HE3 TRP 10 -2.414 -0.982 -0.174 65 HZ2 TRP 10 HZ2 TRP 10 -5.308 -4.338 2.085 66 HZ3 TRP 10 HZ3 TRP 10 -2.687 -0.999 2.272 67 HH2 TRP 10 HH2 TRP 10 -4.109 -2.623 3.352 68 H GLU 11 H GLU 11 -4.345 0.474 -3.692 69 HA GLU 11 HA GLU 11 -2.914 1.304 -6.108 70 1HB GLU 11 1HB GLU 11 -5.074 2.358 -5.783 71 2HB GLU 11 2HB GLU 11 -4.640 2.835 -4.149 72 1HG GLU 11 1HG GLU 11 -2.893 4.303 -5.065 73 2HG GLU 11 2HG GLU 11 -3.400 3.856 -6.693 74 H LYS 12 H LYS 12 -0.822 0.874 -5.463 75 HA LYS 12 HA LYS 12 0.230 2.427 -3.188 76 1HB LYS 12 1HB LYS 12 1.123 -0.191 -4.354 77 2HB LYS 12 2HB LYS 12 2.183 0.762 -3.349 78 1HG LYS 12 1HG LYS 12 1.153 -0.978 -2.082 79 2HG LYS 12 2HG LYS 12 0.596 0.586 -1.511 80 1HD LYS 12 1HD LYS 12 -1.202 -0.368 -3.534 81 2HD LYS 12 2HD LYS 12 -0.951 -1.611 -2.311 82 1HE LYS 12 1HE LYS 12 -1.529 -0.163 -0.568 83 2HE LYS 12 2HE LYS 12 -1.528 1.248 -1.623 84 1HZ LYS 12 1HZ LYS 12 -3.775 0.649 -1.238 85 2HZ LYS 12 2HZ LYS 12 -3.490 -0.979 -1.586 86 3HZ LYS 12 3HZ LYS 12 -3.425 0.171 -2.820 87 H ARG 13 H ARG 13 2.219 3.434 -3.423 88 HA ARG 13 HA ARG 13 3.390 3.565 -6.083 89 1HB ARG 13 1HB ARG 13 3.158 5.883 -6.418 90 2HB ARG 13 2HB ARG 13 1.562 5.326 -5.937 91 1HG ARG 13 1HG ARG 13 1.752 6.271 -3.803 92 2HG ARG 13 2HG ARG 13 3.498 6.478 -3.959 93 1HD ARG 13 1HD ARG 13 1.364 7.956 -5.497 94 2HD ARG 13 2HD ARG 13 2.379 8.615 -4.213 95 HE ARG 13 HE ARG 13 4.131 7.681 -6.104 96 1HH1 ARG 13 1HH1 ARG 13 1.506 9.971 -6.057 97 2HH1 ARG 13 2HH1 ARG 13 2.184 10.968 -7.300 98 1HH2 ARG 13 1HH2 ARG 13 5.030 8.984 -7.741 99 2HH2 ARG 13 2HH2 ARG 13 4.188 10.407 -8.259 100 H THR 14 H THR 14 5.498 4.357 -6.139 101 HA THR 14 HA THR 14 6.741 4.686 -3.490 102 HB THR 14 HB THR 14 8.779 3.662 -4.384 103 HG1 THR 14 HG1 THR 14 8.965 3.143 -6.453 104 1HG2 THR 14 1HG2 THR 14 7.968 1.359 -4.556 105 2HG2 THR 14 2HG2 THR 14 6.328 1.952 -4.818 106 3HG2 THR 14 3HG2 THR 14 7.131 2.234 -3.274 107 H ASP 15 H ASP 15 6.626 6.920 -3.543 108 HA ASP 15 HA ASP 15 7.974 8.356 -5.694 109 1HB ASP 15 1HB ASP 15 5.879 9.298 -4.910 110 2HB ASP 15 2HB ASP 15 6.457 9.299 -3.247 111 H SER 16 H SER 16 9.796 9.740 -5.287 112 HA SER 16 HA SER 16 11.806 8.631 -3.676 113 1HB SER 16 1HB SER 16 12.071 10.353 -5.586 114 2HB SER 16 2HB SER 16 11.696 11.589 -4.391 115 HG SER 16 HG SER 16 13.493 10.845 -3.178 116 H ASN 17 H ASN 17 9.171 10.652 -2.602 117 HA ASN 17 HA ASN 17 10.258 11.524 -0.206 118 1HB ASN 17 1HB ASN 17 7.729 11.441 -0.695 119 2HB ASN 17 2HB ASN 17 7.799 9.711 -0.376 120 1HD2 ASN 17 1HD2 ASN 17 9.705 12.032 1.385 121 2HD2 ASN 17 2HD2 ASN 17 8.863 11.879 2.886 122 H GLY 18 H GLY 18 10.036 8.913 -2.039 123 1HA GLY 18 1HA GLY 18 10.859 6.889 -2.288 124 2HA GLY 18 2HA GLY 18 12.195 7.465 -1.333 125 H ARG 19 H ARG 19 8.861 6.607 -0.994 126 HA ARG 19 HA ARG 19 9.426 4.538 1.008 127 1HB ARG 19 1HB ARG 19 8.611 6.933 1.911 128 2HB ARG 19 2HB ARG 19 7.051 6.239 1.492 129 1HG ARG 19 1HG ARG 19 7.727 5.925 3.865 130 2HG ARG 19 2HG ARG 19 7.336 4.440 2.999 131 1HD ARG 19 1HD ARG 19 9.683 3.951 2.698 132 2HD ARG 19 2HD ARG 19 10.129 5.494 3.424 133 HE ARG 19 HE ARG 19 8.556 3.990 5.225 134 1HH1 ARG 19 1HH1 ARG 19 11.748 4.099 3.833 135 2HH1 ARG 19 2HH1 ARG 19 12.505 3.337 5.192 136 1HH2 ARG 19 1HH2 ARG 19 9.542 2.990 7.017 137 2HH2 ARG 19 2HH2 ARG 19 11.251 2.705 7.003 138 H VAL 20 H VAL 20 7.794 2.954 1.152 139 HA VAL 20 HA VAL 20 6.123 2.787 -1.260 140 HB VAL 20 HB VAL 20 5.985 0.372 -0.799 141 1HG1 VAL 20 1HG1 VAL 20 7.761 1.198 -2.243 142 2HG1 VAL 20 2HG1 VAL 20 8.322 -0.184 -1.302 143 3HG1 VAL 20 3HG1 VAL 20 8.804 1.448 -0.843 144 1HG2 VAL 20 1HG2 VAL 20 7.477 -0.600 0.935 145 2HG2 VAL 20 2HG2 VAL 20 6.158 0.363 1.601 146 3HG2 VAL 20 3HG2 VAL 20 7.788 1.032 1.528 147 H TYR 21 H TYR 21 4.284 3.903 -0.670 148 HA TYR 21 HA TYR 21 2.982 3.098 1.829 149 1HB TYR 21 1HB TYR 21 2.216 5.174 2.051 150 2HB TYR 21 2HB TYR 21 3.442 5.587 0.864 151 HD1 TYR 21 HD1 TYR 21 -0.161 4.816 1.273 152 HD2 TYR 21 HD2 TYR 21 2.858 6.437 -1.260 153 HE1 TYR 21 HE1 TYR 21 -1.893 5.699 -0.226 154 HE2 TYR 21 HE2 TYR 21 1.125 7.326 -2.762 155 HH TYR 21 HH TYR 21 -2.146 7.495 -1.899 156 H PHE 22 H PHE 22 0.751 2.619 1.924 157 HA PHE 22 HA PHE 22 -0.293 1.525 -0.592 158 1HB PHE 22 1HB PHE 22 -0.245 0.361 2.169 159 2HB PHE 22 2HB PHE 22 -1.502 -0.115 1.032 160 HD1 PHE 22 HD1 PHE 22 2.096 0.635 0.640 161 HD2 PHE 22 HD2 PHE 22 -1.009 -2.265 0.199 162 HE1 PHE 22 HE1 PHE 22 3.670 -0.903 -0.439 163 HE2 PHE 22 HE2 PHE 22 0.567 -3.779 -0.874 164 HZ PHE 22 HZ PHE 22 2.884 -3.093 -1.190 165 H VAL 23 H VAL 23 -2.083 2.392 -1.277 166 HA VAL 23 HA VAL 23 -3.904 3.613 0.672 167 HB VAL 23 HB VAL 23 -2.939 4.560 -1.858 168 1HG1 VAL 23 1HG1 VAL 23 -5.093 5.271 -2.857 169 2HG1 VAL 23 2HG1 VAL 23 -5.932 4.211 -1.726 170 3HG1 VAL 23 3HG1 VAL 23 -4.837 3.529 -2.927 171 1HG2 VAL 23 1HG2 VAL 23 -3.822 6.625 -1.121 172 2HG2 VAL 23 2HG2 VAL 23 -3.280 5.773 0.326 173 3HG2 VAL 23 3HG2 VAL 23 -4.997 5.832 -0.074 174 H ASN 24 H ASN 24 -4.963 1.765 1.268 175 HA ASN 24 HA ASN 24 -6.504 0.394 -0.839 176 1HB ASN 24 1HB ASN 24 -5.013 -1.102 0.437 177 2HB ASN 24 2HB ASN 24 -5.771 -0.584 1.937 178 1HD2 ASN 24 1HD2 ASN 24 -7.471 -1.134 -1.069 179 2HD2 ASN 24 2HD2 ASN 24 -8.356 -2.519 -0.539 180 H HIS 25 H HIS 25 -8.656 0.820 -0.857 181 HA HIS 25 HA HIS 25 -9.694 1.928 1.664 182 1HB HIS 25 1HB HIS 25 -10.476 2.757 -1.130 183 2HB HIS 25 2HB HIS 25 -11.191 3.371 0.356 184 HD1 HIS 25 HD1 HIS 25 -10.199 5.474 1.190 185 HD2 HIS 25 HD2 HIS 25 -7.549 3.365 -1.216 186 HE1 HIS 25 HE1 HIS 25 -8.174 6.947 0.971 187 HE2 HIS 25 HE2 HIS 25 -6.644 5.709 -0.602 188 H ASN 26 H ASN 26 -10.318 -0.208 2.175 189 HA ASN 26 HA ASN 26 -12.757 -1.143 0.861 190 1HB ASN 26 1HB ASN 26 -12.634 -2.973 2.622 191 2HB ASN 26 2HB ASN 26 -11.277 -2.944 1.501 192 1HD2 ASN 26 1HD2 ASN 26 -9.281 -2.031 2.229 193 2HD2 ASN 26 2HD2 ASN 26 -8.884 -2.052 3.910 194 H THR 27 H THR 27 -11.933 -1.060 4.250 195 HA THR 27 HA THR 27 -14.300 0.512 4.893 196 HB THR 27 HB THR 27 -12.274 -0.848 6.698 197 HG1 THR 27 HG1 THR 27 -14.560 -1.949 7.081 198 1HG2 THR 27 1HG2 THR 27 -13.238 1.102 7.791 199 2HG2 THR 27 2HG2 THR 27 -13.877 -0.376 8.508 200 3HG2 THR 27 3HG2 THR 27 -14.863 0.552 7.379 201 H ARG 28 H ARG 28 -11.086 0.462 6.331 202 HA ARG 28 HA ARG 28 -10.435 3.149 5.456 203 1HB ARG 28 1HB ARG 28 -11.757 3.531 7.504 204 2HB ARG 28 2HB ARG 28 -10.678 2.466 8.396 205 1HG ARG 28 1HG ARG 28 -10.053 4.695 8.899 206 2HG ARG 28 2HG ARG 28 -8.810 4.031 7.838 207 1HD ARG 28 1HD ARG 28 -9.849 5.150 5.925 208 2HD ARG 28 2HD ARG 28 -11.091 5.813 6.988 209 HE ARG 28 HE ARG 28 -8.252 6.456 7.410 210 1HH1 ARG 28 1HH1 ARG 28 -11.537 7.433 6.790 211 2HH1 ARG 28 2HH1 ARG 28 -11.214 9.120 7.009 212 1HH2 ARG 28 1HH2 ARG 28 -7.815 8.675 7.701 213 2HH2 ARG 28 2HH2 ARG 28 -9.096 9.828 7.525 214 H ILE 29 H ILE 29 -8.605 2.140 4.390 215 HA ILE 29 HA ILE 29 -6.591 1.126 6.300 216 HB ILE 29 HB ILE 29 -7.170 0.099 3.527 217 1HG1 ILE 29 1HG1 ILE 29 -8.623 -0.757 5.328 218 2HG1 ILE 29 2HG1 ILE 29 -7.581 -2.018 4.676 219 1HG2 ILE 29 1HG2 ILE 29 -4.762 0.250 3.847 220 2HG2 ILE 29 2HG2 ILE 29 -5.287 -1.433 3.859 221 3HG2 ILE 29 3HG2 ILE 29 -4.898 -0.620 5.375 222 1HD1 ILE 29 1HD1 ILE 29 -7.741 -2.155 7.095 223 2HD1 ILE 29 2HD1 ILE 29 -7.125 -0.508 7.238 224 3HD1 ILE 29 3HD1 ILE 29 -6.093 -1.783 6.589 225 H TPO 30 H TPO 30 -4.816 2.299 6.395 226 HA TPO 30 HA TPO 30 -3.612 3.375 3.978 227 HB TPO 30 HB TPO 30 -4.911 5.278 4.535 228 1HG2 TPO 30 1HG2 TPO 30 -3.898 5.004 7.368 229 2HG2 TPO 30 2HG2 TPO 30 -5.530 4.626 6.821 230 3HG2 TPO 30 3HG2 TPO 30 -4.943 6.288 6.765 231 H GLN 31 H GLN 31 -1.846 2.107 4.255 232 HA GLN 31 HA GLN 31 0.051 2.899 6.320 233 1HB GLN 31 1HB GLN 31 0.389 0.151 6.279 234 2HB GLN 31 2HB GLN 31 -0.343 1.070 7.576 235 1HG GLN 31 1HG GLN 31 -1.977 -0.473 7.224 236 2HG GLN 31 2HG GLN 31 -2.510 0.781 6.108 237 1HE2 GLN 31 1HE2 GLN 31 -0.225 0.131 4.307 238 2HE2 GLN 31 2HE2 GLN 31 -0.711 -1.298 3.470 239 H TRP 32 H TRP 32 2.289 2.427 5.653 240 HA TRP 32 HA TRP 32 2.392 1.959 2.761 241 1HB TRP 32 1HB TRP 32 4.864 2.384 4.366 242 2HB TRP 32 2HB TRP 32 4.424 3.030 2.789 243 HD1 TRP 32 HD1 TRP 32 2.702 3.526 6.250 244 HE1 TRP 32 HE1 TRP 32 2.459 6.058 6.640 245 HE3 TRP 32 HE3 TRP 32 5.039 5.214 2.040 246 HZ2 TRP 32 HZ2 TRP 32 3.174 8.459 5.333 247 HZ3 TRP 32 HZ3 TRP 32 5.212 7.629 1.680 248 HH2 TRP 32 HH2 TRP 32 4.307 9.227 3.291 249 H GLU 33 H GLU 33 1.733 -0.344 3.156 250 HA GLU 33 HA GLU 33 4.090 -1.994 3.102 251 1HB GLU 33 1HB GLU 33 3.750 -2.039 5.476 252 2HB GLU 33 2HB GLU 33 2.042 -2.429 5.266 253 1HG GLU 33 1HG GLU 33 3.154 -4.425 3.846 254 2HG GLU 33 2HG GLU 33 4.419 -4.155 5.053 255 H ASP 34 H ASP 34 3.784 -4.071 2.173 256 HA ASP 34 HA ASP 34 1.504 -4.386 0.496 257 1HB ASP 34 1HB ASP 34 2.342 -6.688 0.121 258 2HB ASP 34 2HB ASP 34 3.647 -5.513 -0.019 259 HA PRO 35 HA PRO 35 -1.026 -5.833 3.882 260 1HB PRO 35 1HB PRO 35 -3.262 -6.163 2.126 261 2HB PRO 35 2HB PRO 35 -2.881 -4.780 3.157 262 1HG PRO 35 1HG PRO 35 -2.862 -4.638 0.445 263 2HG PRO 35 2HG PRO 35 -1.811 -3.645 1.462 264 1HD PRO 35 1HD PRO 35 -1.168 -6.296 0.182 265 2HD PRO 35 2HD PRO 35 -0.275 -4.775 0.016 266 H ARG 36 H ARG 36 0.515 -7.946 3.258 267 HA ARG 36 HA ARG 36 -0.559 -10.151 1.991 268 1HB ARG 36 1HB ARG 36 1.046 -11.450 3.083 269 2HB ARG 36 2HB ARG 36 1.763 -9.845 3.051 270 1HG ARG 36 1HG ARG 36 0.267 -10.956 5.412 271 2HG ARG 36 2HG ARG 36 2.014 -11.080 5.206 272 1HD ARG 36 1HD ARG 36 1.600 -9.204 6.607 273 2HD ARG 36 2HD ARG 36 2.076 -8.581 5.028 274 HE ARG 36 HE ARG 36 -0.447 -8.363 4.681 275 1HH1 ARG 36 1HH1 ARG 36 1.141 -8.030 7.759 276 2HH1 ARG 36 2HH1 ARG 36 -0.046 -6.945 8.400 277 1HH2 ARG 36 1HH2 ARG 36 -2.015 -6.931 5.511 278 2HH2 ARG 36 2HH2 ARG 36 -1.841 -6.321 7.123 279 H SER 37 H SER 37 -1.565 -8.687 4.926 280 HA SER 37 HA SER 37 -3.843 -10.353 5.146 281 1HB SER 37 1HB SER 37 -3.346 -11.399 7.325 282 2HB SER 37 2HB SER 37 -2.232 -11.951 6.073 283 HG SER 37 HG SER 37 -1.146 -9.816 7.155 Start of MODEL 7 1 1H GLY 1 1H GLY 1 1.759 -6.474 -11.502 2 2H GLY 1 2H GLY 1 2.502 -6.827 -10.024 3 3H GLY 1 3H GLY 1 1.191 -7.755 -10.554 4 1HA GLY 1 1HA GLY 1 2.487 -8.572 -12.426 5 2HA GLY 1 2HA GLY 1 3.849 -7.613 -11.868 6 H ALA 2 H ALA 2 1.688 -10.264 -10.963 7 HA ALA 2 HA ALA 2 2.134 -12.241 -9.909 8 1HB ALA 2 1HB ALA 2 4.271 -12.265 -11.095 9 2HB ALA 2 2HB ALA 2 4.433 -12.914 -9.463 10 3HB ALA 2 3HB ALA 2 4.991 -11.280 -9.821 11 H MET 3 H MET 3 4.715 -10.586 -8.202 12 HA MET 3 HA MET 3 2.967 -10.325 -5.850 13 1HB MET 3 1HB MET 3 4.867 -11.050 -4.429 14 2HB MET 3 2HB MET 3 4.293 -12.314 -5.508 15 1HG MET 3 1HG MET 3 6.703 -10.583 -6.008 16 2HG MET 3 2HG MET 3 6.745 -12.214 -5.342 17 1HE MET 3 1HE MET 3 8.173 -12.854 -8.896 18 2HE MET 3 2HE MET 3 8.403 -13.065 -7.161 19 3HE MET 3 3HE MET 3 8.477 -11.453 -7.870 20 H GLY 4 H GLY 4 4.703 -9.210 -4.071 21 1HA GLY 4 1HA GLY 4 6.082 -7.354 -3.655 22 2HA GLY 4 2HA GLY 4 6.037 -6.968 -5.368 23 HA PRO 5 HA PRO 5 3.840 -3.481 -3.101 24 1HB PRO 5 1HB PRO 5 3.932 -2.875 -6.040 25 2HB PRO 5 2HB PRO 5 4.153 -1.791 -4.662 26 1HG PRO 5 1HG PRO 5 6.221 -2.866 -6.105 27 2HG PRO 5 2HG PRO 5 6.353 -2.342 -4.420 28 1HD PRO 5 1HD PRO 5 6.513 -5.023 -5.485 29 2HD PRO 5 2HD PRO 5 6.731 -4.488 -3.809 30 H LEU 6 H LEU 6 1.767 -3.266 -2.881 31 HA LEU 6 HA LEU 6 -0.419 -3.682 -2.933 32 1HB LEU 6 1HB LEU 6 -0.332 -3.815 -5.927 33 2HB LEU 6 2HB LEU 6 -1.610 -3.207 -4.919 34 HG LEU 6 HG LEU 6 -0.239 -1.249 -4.368 35 1HD1 LEU 6 1HD1 LEU 6 1.722 -2.587 -6.198 36 2HD1 LEU 6 2HD1 LEU 6 1.919 -2.117 -4.511 37 3HD1 LEU 6 3HD1 LEU 6 1.804 -0.879 -5.757 38 1HD2 LEU 6 1HD2 LEU 6 -1.772 -1.359 -6.395 39 2HD2 LEU 6 2HD2 LEU 6 -0.319 -1.607 -7.358 40 3HD2 LEU 6 3HD2 LEU 6 -0.520 -0.120 -6.431 41 HA PRO 7 HA PRO 7 0.324 -8.115 -3.550 42 1HB PRO 7 1HB PRO 7 -0.813 -8.059 -0.831 43 2HB PRO 7 2HB PRO 7 0.604 -8.952 -1.416 44 1HG PRO 7 1HG PRO 7 0.952 -6.797 0.104 45 2HG PRO 7 2HG PRO 7 1.990 -7.048 -1.316 46 1HD PRO 7 1HD PRO 7 -0.438 -5.290 -1.045 47 2HD PRO 7 2HD PRO 7 1.126 -4.876 -1.767 48 HA PRO 8 HA PRO 8 -4.415 -8.140 -2.975 49 1HB PRO 8 1HB PRO 8 -5.189 -6.061 -1.203 50 2HB PRO 8 2HB PRO 8 -5.088 -7.783 -0.815 51 1HG PRO 8 1HG PRO 8 -3.489 -5.778 0.269 52 2HG PRO 8 2HG PRO 8 -3.120 -7.507 0.286 53 1HD PRO 8 1HD PRO 8 -2.088 -5.403 -1.589 54 2HD PRO 8 2HD PRO 8 -1.262 -6.764 -0.860 55 H GLY 9 H GLY 9 -6.376 -6.348 -3.170 56 1HA GLY 9 1HA GLY 9 -5.707 -4.736 -5.434 57 2HA GLY 9 2HA GLY 9 -7.229 -4.672 -4.542 58 H TRP 10 H TRP 10 -4.041 -3.303 -4.888 59 HA TRP 10 HA TRP 10 -4.765 -1.253 -2.880 60 1HB TRP 10 1HB TRP 10 -2.204 -2.782 -3.267 61 2HB TRP 10 2HB TRP 10 -2.217 -1.280 -2.359 62 HD1 TRP 10 HD1 TRP 10 -4.065 -4.588 -2.498 63 HE1 TRP 10 HE1 TRP 10 -4.861 -5.283 -0.164 64 HE3 TRP 10 HE3 TRP 10 -2.238 -0.661 0.127 65 HZ2 TRP 10 HZ2 TRP 10 -4.634 -4.358 2.453 66 HZ3 TRP 10 HZ3 TRP 10 -2.484 -0.715 2.587 67 HH2 TRP 10 HH2 TRP 10 -3.660 -2.500 3.690 68 H GLU 11 H GLU 11 -4.121 0.812 -3.157 69 HA GLU 11 HA GLU 11 -3.054 1.551 -5.791 70 1HB GLU 11 1HB GLU 11 -5.148 2.679 -5.213 71 2HB GLU 11 2HB GLU 11 -4.461 3.219 -3.684 72 1HG GLU 11 1HG GLU 11 -3.008 3.973 -6.142 73 2HG GLU 11 2HG GLU 11 -4.559 4.749 -5.860 74 H LYS 12 H LYS 12 -0.968 1.132 -5.447 75 HA LYS 12 HA LYS 12 0.349 2.368 -3.146 76 1HB LYS 12 1HB LYS 12 0.956 -0.098 -4.677 77 2HB LYS 12 2HB LYS 12 2.168 0.643 -3.640 78 1HG LYS 12 1HG LYS 12 0.783 0.404 -1.741 79 2HG LYS 12 2HG LYS 12 -0.537 -0.235 -2.720 80 1HD LYS 12 1HD LYS 12 0.864 -1.904 -1.606 81 2HD LYS 12 2HD LYS 12 0.697 -2.115 -3.326 82 1HE LYS 12 1HE LYS 12 3.075 -2.318 -2.254 83 2HE LYS 12 2HE LYS 12 2.867 -1.464 -3.773 84 1HZ LYS 12 1HZ LYS 12 2.628 0.107 -1.329 85 2HZ LYS 12 2HZ LYS 12 3.288 0.529 -2.828 86 3HZ LYS 12 3HZ LYS 12 4.177 -0.425 -1.752 87 H ARG 13 H ARG 13 2.427 2.999 -3.274 88 HA ARG 13 HA ARG 13 3.496 3.748 -5.870 89 1HB ARG 13 1HB ARG 13 2.153 5.626 -5.808 90 2HB ARG 13 2HB ARG 13 2.258 5.775 -4.061 91 1HG ARG 13 1HG ARG 13 4.278 6.866 -4.137 92 2HG ARG 13 2HG ARG 13 4.712 6.176 -5.702 93 1HD ARG 13 1HD ARG 13 4.162 8.605 -5.773 94 2HD ARG 13 2HD ARG 13 3.170 7.608 -6.836 95 HE ARG 13 HE ARG 13 1.675 7.770 -4.595 96 1HH1 ARG 13 1HH1 ARG 13 3.266 10.161 -6.564 97 2HH1 ARG 13 2HH1 ARG 13 2.095 11.396 -6.242 98 1HH2 ARG 13 1HH2 ARG 13 0.122 9.390 -4.167 99 2HH2 ARG 13 2HH2 ARG 13 0.309 10.958 -4.879 100 H THR 14 H THR 14 5.633 4.343 -5.872 101 HA THR 14 HA THR 14 7.027 4.330 -3.285 102 HB THR 14 HB THR 14 7.322 2.102 -4.157 103 HG1 THR 14 HG1 THR 14 9.619 2.129 -4.373 104 1HG2 THR 14 1HG2 THR 14 8.348 1.704 -6.361 105 2HG2 THR 14 2HG2 THR 14 8.275 3.434 -6.695 106 3HG2 THR 14 3HG2 THR 14 6.785 2.511 -6.494 107 H ASP 15 H ASP 15 7.458 6.494 -3.312 108 HA ASP 15 HA ASP 15 9.027 7.544 -5.577 109 1HB ASP 15 1HB ASP 15 6.902 8.730 -5.153 110 2HB ASP 15 2HB ASP 15 7.424 9.063 -3.504 111 H SER 16 H SER 16 10.899 8.816 -5.120 112 HA SER 16 HA SER 16 12.627 7.836 -3.183 113 1HB SER 16 1HB SER 16 13.970 9.920 -3.517 114 2HB SER 16 2HB SER 16 13.448 9.225 -5.051 115 HG SER 16 HG SER 16 11.756 11.103 -3.907 116 H ASN 17 H ASN 17 9.966 10.021 -2.565 117 HA ASN 17 HA ASN 17 10.805 11.048 -0.141 118 1HB ASN 17 1HB ASN 17 8.351 9.244 -0.446 119 2HB ASN 17 2HB ASN 17 8.607 10.434 0.825 120 1HD2 ASN 17 1HD2 ASN 17 9.728 12.375 -1.068 121 2HD2 ASN 17 2HD2 ASN 17 8.377 13.017 -1.932 122 H GLY 18 H GLY 18 10.739 8.296 -1.779 123 1HA GLY 18 1HA GLY 18 11.502 6.226 -1.747 124 2HA GLY 18 2HA GLY 18 12.773 6.881 -0.751 125 H ARG 19 H ARG 19 9.389 6.235 -0.527 126 HA ARG 19 HA ARG 19 9.733 4.373 1.723 127 1HB ARG 19 1HB ARG 19 8.896 6.901 2.208 128 2HB ARG 19 2HB ARG 19 7.365 6.137 1.806 129 1HG ARG 19 1HG ARG 19 8.005 6.220 4.252 130 2HG ARG 19 2HG ARG 19 7.477 4.667 3.604 131 1HD ARG 19 1HD ARG 19 9.508 4.610 5.107 132 2HD ARG 19 2HD ARG 19 9.693 3.839 3.532 133 HE ARG 19 HE ARG 19 10.790 6.011 2.858 134 1HH1 ARG 19 1HH1 ARG 19 10.806 4.862 6.148 135 2HH1 ARG 19 2HH1 ARG 19 12.293 5.653 6.552 136 1HH2 ARG 19 1HH2 ARG 19 12.748 7.052 3.379 137 2HH2 ARG 19 2HH2 ARG 19 13.398 6.897 4.977 138 H VAL 20 H VAL 20 8.058 2.835 1.893 139 HA VAL 20 HA VAL 20 6.603 2.419 -0.625 140 HB VAL 20 HB VAL 20 6.832 0.413 1.599 141 1HG1 VAL 20 1HG1 VAL 20 6.443 0.119 -1.375 142 2HG1 VAL 20 2HG1 VAL 20 5.190 -0.037 -0.142 143 3HG1 VAL 20 3HG1 VAL 20 6.513 -1.202 -0.208 144 1HG2 VAL 20 1HG2 VAL 20 8.799 0.834 -0.648 145 2HG2 VAL 20 2HG2 VAL 20 8.801 -0.527 0.474 146 3HG2 VAL 20 3HG2 VAL 20 9.103 1.107 1.068 147 H TYR 21 H TYR 21 4.782 3.635 -0.396 148 HA TYR 21 HA TYR 21 3.221 3.303 2.052 149 1HB TYR 21 1HB TYR 21 2.474 5.408 1.832 150 2HB TYR 21 2HB TYR 21 3.940 5.580 0.890 151 HD1 TYR 21 HD1 TYR 21 0.412 4.467 0.250 152 HD2 TYR 21 HD2 TYR 21 3.744 6.780 -1.043 153 HE1 TYR 21 HE1 TYR 21 -0.888 5.257 -1.684 154 HE2 TYR 21 HE2 TYR 21 2.449 7.579 -2.972 155 HH TYR 21 HH TYR 21 -0.894 7.202 -3.229 156 H PHE 22 H PHE 22 0.983 2.931 2.015 157 HA PHE 22 HA PHE 22 0.015 1.612 -0.427 158 1HB PHE 22 1HB PHE 22 -0.022 0.662 2.415 159 2HB PHE 22 2HB PHE 22 -1.261 0.123 1.295 160 HD1 PHE 22 HD1 PHE 22 2.386 0.719 0.984 161 HD2 PHE 22 HD2 PHE 22 -0.820 -2.059 0.598 162 HE1 PHE 22 HE1 PHE 22 3.933 -0.946 0.096 163 HE2 PHE 22 HE2 PHE 22 0.734 -3.716 -0.297 164 HZ PHE 22 HZ PHE 22 3.088 -3.128 -0.573 165 H VAL 23 H VAL 23 -1.953 2.111 -1.097 166 HA VAL 23 HA VAL 23 -3.697 3.633 0.718 167 HB VAL 23 HB VAL 23 -3.125 4.096 -2.200 168 1HG1 VAL 23 1HG1 VAL 23 -5.552 3.918 -1.999 169 2HG1 VAL 23 2HG1 VAL 23 -5.066 5.587 -2.296 170 3HG1 VAL 23 3HG1 VAL 23 -5.536 5.081 -0.673 171 1HG2 VAL 23 1HG2 VAL 23 -2.790 6.376 -1.504 172 2HG2 VAL 23 2HG2 VAL 23 -1.845 5.317 -0.457 173 3HG2 VAL 23 3HG2 VAL 23 -3.361 6.004 0.123 174 H ASN 24 H ASN 24 -4.814 1.816 1.351 175 HA ASN 24 HA ASN 24 -6.618 0.721 -0.686 176 1HB ASN 24 1HB ASN 24 -5.007 -1.043 -0.375 177 2HB ASN 24 2HB ASN 24 -5.073 -0.867 1.377 178 1HD2 ASN 24 1HD2 ASN 24 -5.642 -3.143 -0.484 179 2HD2 ASN 24 2HD2 ASN 24 -7.212 -3.696 -0.026 180 H HIS 25 H HIS 25 -8.725 0.607 0.007 181 HA HIS 25 HA HIS 25 -9.186 0.801 2.856 182 1HB HIS 25 1HB HIS 25 -10.491 2.866 2.729 183 2HB HIS 25 2HB HIS 25 -8.815 3.124 2.249 184 HD1 HIS 25 HD1 HIS 25 -12.229 3.660 1.137 185 HD2 HIS 25 HD2 HIS 25 -8.509 3.270 -0.672 186 HE1 HIS 25 HE1 HIS 25 -12.511 4.582 -1.185 187 HE2 HIS 25 HE2 HIS 25 -10.278 4.228 -2.297 188 H ASN 26 H ASN 26 -10.335 -1.227 2.558 189 HA ASN 26 HA ASN 26 -12.546 -1.541 0.901 190 1HB ASN 26 1HB ASN 26 -11.755 -3.335 2.472 191 2HB ASN 26 2HB ASN 26 -12.373 -2.390 3.824 192 1HD2 ASN 26 1HD2 ASN 26 -14.023 -2.528 0.770 193 2HD2 ASN 26 2HD2 ASN 26 -15.361 -3.483 1.307 194 H THR 27 H THR 27 -12.452 -0.438 4.251 195 HA THR 27 HA THR 27 -14.707 1.359 3.815 196 HB THR 27 HB THR 27 -13.111 1.001 6.366 197 HG1 THR 27 HG1 THR 27 -15.575 -0.297 5.893 198 1HG2 THR 27 1HG2 THR 27 -14.607 2.990 6.138 199 2HG2 THR 27 2HG2 THR 27 -15.050 1.906 7.456 200 3HG2 THR 27 3HG2 THR 27 -15.966 1.884 5.950 201 H ARG 28 H ARG 28 -11.813 1.886 5.788 202 HA ARG 28 HA ARG 28 -10.693 3.827 3.962 203 1HB ARG 28 1HB ARG 28 -10.740 5.705 5.505 204 2HB ARG 28 2HB ARG 28 -12.375 5.169 5.145 205 1HG ARG 28 1HG ARG 28 -10.934 4.227 7.597 206 2HG ARG 28 2HG ARG 28 -11.799 5.764 7.564 207 1HD ARG 28 1HD ARG 28 -12.980 3.055 6.958 208 2HD ARG 28 2HD ARG 28 -13.193 3.963 8.455 209 HE ARG 28 HE ARG 28 -14.141 4.958 5.847 210 1HH1 ARG 28 1HH1 ARG 28 -14.593 4.352 9.245 211 2HH1 ARG 28 2HH1 ARG 28 -16.162 5.082 9.300 212 1HH2 ARG 28 1HH2 ARG 28 -16.207 5.923 5.906 213 2HH2 ARG 28 2HH2 ARG 28 -17.082 5.973 7.400 214 H ILE 29 H ILE 29 -8.613 2.770 3.963 215 HA ILE 29 HA ILE 29 -7.202 3.070 6.505 216 HB ILE 29 HB ILE 29 -8.086 0.783 6.574 217 1HG1 ILE 29 1HG1 ILE 29 -5.833 1.467 7.551 218 2HG1 ILE 29 2HG1 ILE 29 -6.091 -0.257 7.304 219 1HG2 ILE 29 1HG2 ILE 29 -6.392 0.303 4.132 220 2HG2 ILE 29 2HG2 ILE 29 -8.155 0.343 4.176 221 3HG2 ILE 29 3HG2 ILE 29 -7.279 -0.920 5.042 222 1HD1 ILE 29 1HD1 ILE 29 -3.851 0.414 6.651 223 2HD1 ILE 29 2HD1 ILE 29 -4.520 1.563 5.495 224 3HD1 ILE 29 3HD1 ILE 29 -4.769 -0.165 5.261 225 H TPO 30 H TPO 30 -5.061 3.532 6.348 226 HA TPO 30 HA TPO 30 -3.686 3.132 3.811 227 HB TPO 30 HB TPO 30 -2.874 5.491 3.771 228 1HG2 TPO 30 1HG2 TPO 30 -4.904 6.424 2.770 229 2HG2 TPO 30 2HG2 TPO 30 -5.862 5.138 3.506 230 3HG2 TPO 30 3HG2 TPO 30 -4.661 4.748 2.273 231 H GLN 31 H GLN 31 -1.755 2.374 4.178 232 HA GLN 31 HA GLN 31 -0.060 3.376 6.331 233 1HB GLN 31 1HB GLN 31 0.519 1.021 6.991 234 2HB GLN 31 2HB GLN 31 -1.098 1.513 7.443 235 1HG GLN 31 1HG GLN 31 -2.072 0.262 5.679 236 2HG GLN 31 2HG GLN 31 -0.492 -0.051 4.960 237 1HE2 GLN 31 1HE2 GLN 31 0.754 -0.533 7.549 238 2HE2 GLN 31 2HE2 GLN 31 0.226 -2.099 8.052 239 H TRP 32 H TRP 32 2.239 2.972 5.853 240 HA TRP 32 HA TRP 32 2.582 2.324 3.019 241 1HB TRP 32 1HB TRP 32 4.842 2.949 4.881 242 2HB TRP 32 2HB TRP 32 4.655 3.360 3.180 243 HD1 TRP 32 HD1 TRP 32 2.362 4.273 6.198 244 HE1 TRP 32 HE1 TRP 32 2.061 6.831 6.186 245 HE3 TRP 32 HE3 TRP 32 5.405 5.408 2.277 246 HZ2 TRP 32 HZ2 TRP 32 3.006 9.045 4.696 247 HZ3 TRP 32 HZ3 TRP 32 5.650 7.744 1.613 248 HH2 TRP 32 HH2 TRP 32 4.486 9.539 2.794 249 H GLU 33 H GLU 33 1.934 0.019 3.526 250 HA GLU 33 HA GLU 33 4.353 -1.545 3.736 251 1HB GLU 33 1HB GLU 33 3.852 -1.513 6.063 252 2HB GLU 33 2HB GLU 33 2.153 -1.881 5.762 253 1HG GLU 33 1HG GLU 33 3.188 -3.996 4.566 254 2HG GLU 33 2HG GLU 33 4.526 -3.661 5.673 255 H ASP 34 H ASP 34 4.201 -3.676 2.900 256 HA ASP 34 HA ASP 34 2.065 -4.196 1.086 257 1HB ASP 34 1HB ASP 34 3.011 -6.482 0.936 258 2HB ASP 34 2HB ASP 34 4.288 -5.275 0.823 259 HA PRO 35 HA PRO 35 -0.607 -5.400 4.443 260 1HB PRO 35 1HB PRO 35 -2.722 -6.012 2.591 261 2HB PRO 35 2HB PRO 35 -2.482 -4.548 3.543 262 1HG PRO 35 1HG PRO 35 -2.297 -4.529 0.858 263 2HG PRO 35 2HG PRO 35 -1.279 -3.495 1.869 264 1HD PRO 35 1HD PRO 35 -0.606 -6.242 0.811 265 2HD PRO 35 2HD PRO 35 0.282 -4.737 0.521 266 H ARG 36 H ARG 36 1.081 -7.547 3.142 267 HA ARG 36 HA ARG 36 1.219 -9.825 2.971 268 1HB ARG 36 1HB ARG 36 0.717 -10.948 4.959 269 2HB ARG 36 2HB ARG 36 0.930 -9.282 5.480 270 1HG ARG 36 1HG ARG 36 -1.426 -8.955 5.647 271 2HG ARG 36 2HG ARG 36 -1.750 -10.510 4.882 272 1HD ARG 36 1HD ARG 36 -2.061 -11.003 7.115 273 2HD ARG 36 2HD ARG 36 -0.380 -11.476 6.867 274 HE ARG 36 HE ARG 36 -0.008 -9.027 7.731 275 1HH1 ARG 36 1HH1 ARG 36 -2.297 -11.397 8.857 276 2HH1 ARG 36 2HH1 ARG 36 -2.323 -10.794 10.481 277 1HH2 ARG 36 1HH2 ARG 36 -0.034 -8.221 9.870 278 2HH2 ARG 36 2HH2 ARG 36 -1.037 -8.987 11.056 279 H SER 37 H SER 37 -1.200 -8.411 1.719 280 HA SER 37 HA SER 37 -2.796 -9.146 0.242 281 1HB SER 37 1HB SER 37 -2.293 -11.885 1.434 282 2HB SER 37 2HB SER 37 -3.289 -11.551 0.018 283 HG SER 37 HG SER 37 -0.850 -10.438 -0.255
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