NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
522963 | 2lfk | 17763 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 19 H1 GLY 19 5.154 -8.489 26.375 2 H2 GLY 19 H2 GLY 19 3.765 -7.945 25.701 3 H3 GLY 19 H3 GLY 19 4.057 -9.556 25.788 4 HA2 GLY 19 HA2 GLY 19 5.911 -9.373 24.271 5 HA3 GLY 19 HA3 GLY 19 4.405 -8.790 23.538 6 H ASP 20 H ASP 20 6.637 -7.958 22.368 7 HA ASP 20 HA ASP 20 6.982 -5.088 23.138 8 HB2 ASP 20 HB2 ASP 20 9.160 -7.105 22.478 9 HB3 ASP 20 HB3 ASP 20 9.393 -5.359 22.466 10 H LYS 21 H LYS 21 6.346 -3.867 21.558 11 HA LYS 21 HA LYS 21 7.195 -4.310 18.756 12 HB2 LYS 21 HB2 LYS 21 4.310 -3.953 19.673 13 HB3 LYS 21 HB3 LYS 21 4.833 -3.378 18.093 14 HG2 LYS 21 HG2 LYS 21 5.692 -5.672 17.558 15 HG3 LYS 21 HG3 LYS 21 4.952 -6.253 19.065 16 HD2 LYS 21 HD2 LYS 21 2.722 -5.597 18.267 17 HD3 LYS 21 HD3 LYS 21 3.427 -4.793 16.861 18 HE2 LYS 21 HE2 LYS 21 2.542 -6.862 16.093 19 HE3 LYS 21 HE3 LYS 21 4.302 -6.966 16.033 20 HZ1 LYS 21 HZ1 LYS 21 4.223 -8.251 18.110 21 HZ2 LYS 21 HZ2 LYS 21 3.305 -8.975 16.974 22 HZ3 LYS 21 HZ3 LYS 21 2.591 -8.130 18.172 23 H GLU 22 H GLU 22 6.686 -2.317 17.453 24 HA GLU 22 HA GLU 22 7.321 0.188 18.982 25 HB2 GLU 22 HB2 GLU 22 8.034 -0.591 16.124 26 HB3 GLU 22 HB3 GLU 22 8.364 0.974 16.876 27 HG2 GLU 22 HG2 GLU 22 9.791 -0.141 18.580 28 HG3 GLU 22 HG3 GLU 22 9.511 -1.698 17.798 29 H GLU 23 H GLU 23 6.496 2.192 17.998 30 HA GLU 23 HA GLU 23 3.688 2.023 17.183 31 HB2 GLU 23 HB2 GLU 23 5.641 4.322 17.639 32 HB3 GLU 23 HB3 GLU 23 4.010 4.565 17.034 33 HG2 GLU 23 HG2 GLU 23 3.963 4.971 19.374 34 HG3 GLU 23 HG3 GLU 23 3.039 3.517 19.026 35 H CYS 24 H CYS 24 2.879 3.252 15.346 36 HA CYS 24 HA CYS 24 4.621 3.304 12.915 37 HB2 CYS 24 HB2 CYS 24 1.824 2.165 13.170 38 HB3 CYS 24 HB3 CYS 24 2.610 2.533 11.636 39 H THR 25 H THR 25 4.909 5.532 13.409 40 HA THR 25 HA THR 25 2.742 7.456 13.374 41 HB THR 25 HB THR 25 4.769 9.038 12.962 42 HG1 THR 25 HG1 THR 25 6.718 8.076 13.741 43 HG21 THR 25 HG21 THR 25 5.361 8.956 15.345 44 HG22 THR 25 HG22 THR 25 4.629 7.343 15.497 45 HG23 THR 25 HG23 THR 25 3.614 8.758 15.135 46 H VAL 26 H VAL 26 1.533 7.706 11.648 47 HA VAL 26 HA VAL 26 2.789 8.011 8.941 48 HB VAL 26 HB VAL 26 0.089 6.764 9.463 49 HG11 VAL 26 HG11 VAL 26 0.270 7.931 7.273 50 HG12 VAL 26 HG12 VAL 26 1.782 7.064 6.935 51 HG13 VAL 26 HG13 VAL 26 0.240 6.183 7.057 52 HG21 VAL 26 HG21 VAL 26 2.738 5.466 8.697 53 HG22 VAL 26 HG22 VAL 26 1.807 5.184 10.182 54 HG23 VAL 26 HG23 VAL 26 1.149 4.667 8.634 55 HA PRO 27 HA PRO 27 0.521 11.922 9.899 56 HB2 PRO 27 HB2 PRO 27 2.414 13.697 9.073 57 HB3 PRO 27 HB3 PRO 27 2.527 12.853 10.646 58 HG2 PRO 27 HG2 PRO 27 3.874 12.088 8.030 59 HG3 PRO 27 HG3 PRO 27 4.628 12.272 9.648 60 HD2 PRO 27 HD2 PRO 27 3.829 9.846 8.674 61 HD3 PRO 27 HD3 PRO 27 3.698 10.244 10.412 62 H ILE 28 H ILE 28 -0.205 13.638 8.411 63 HA ILE 28 HA ILE 28 -1.022 12.764 5.844 64 HB ILE 28 HB ILE 28 -2.171 14.468 7.155 65 HG12 ILE 28 HG12 ILE 28 -1.366 15.616 4.450 66 HG13 ILE 28 HG13 ILE 28 -2.434 14.222 4.647 67 HG21 ILE 28 HG21 ILE 28 -0.166 15.739 7.980 68 HG22 ILE 28 HG22 ILE 28 0.041 16.414 6.350 69 HG23 ILE 28 HG23 ILE 28 -1.409 16.780 7.299 70 HD11 ILE 28 HD11 ILE 28 -3.774 16.203 4.308 71 HD12 ILE 28 HD12 ILE 28 -4.015 15.629 5.970 72 HD13 ILE 28 HD13 ILE 28 -2.983 17.045 5.648 73 H GLY 29 H GLY 29 1.925 14.375 6.766 74 HA2 GLY 29 HA2 GLY 29 2.761 15.108 4.068 75 HA3 GLY 29 HA3 GLY 29 3.713 15.230 5.542 76 H TRP 30 H TRP 30 2.611 12.009 5.353 77 HA TRP 30 HA TRP 30 5.216 10.962 4.706 78 HB2 TRP 30 HB2 TRP 30 3.540 9.919 6.243 79 HB3 TRP 30 HB3 TRP 30 2.517 9.560 4.853 80 HD1 TRP 30 HD1 TRP 30 3.202 7.569 3.339 81 HE1 TRP 30 HE1 TRP 30 5.063 5.779 3.354 82 HE3 TRP 30 HE3 TRP 30 5.957 9.346 7.241 83 HZ2 TRP 30 HZ2 TRP 30 7.532 5.305 4.786 84 HZ3 TRP 30 HZ3 TRP 30 8.080 8.223 7.915 85 HH2 TRP 30 HH2 TRP 30 8.886 6.228 6.679 86 H SER 31 H SER 31 5.709 9.503 2.947 87 HA SER 31 HA SER 31 4.835 10.453 0.308 88 HB2 SER 31 HB2 SER 31 7.214 9.907 0.868 89 HB3 SER 31 HB3 SER 31 6.758 8.203 1.008 90 HG SER 31 HG SER 31 6.651 9.898 -1.292 91 H GLU 32 H GLU 32 2.793 9.816 -0.202 92 HA GLU 32 HA GLU 32 1.992 6.962 0.122 93 HB2 GLU 32 HB2 GLU 32 -0.344 8.036 -0.420 94 HB3 GLU 32 HB3 GLU 32 0.348 8.049 1.188 95 HG2 GLU 32 HG2 GLU 32 -0.748 10.157 0.633 96 HG3 GLU 32 HG3 GLU 32 0.935 10.365 1.050 97 HA PRO 33 HA PRO 33 1.862 6.383 -4.294 98 HB2 PRO 33 HB2 PRO 33 0.076 4.366 -4.593 99 HB3 PRO 33 HB3 PRO 33 1.634 4.141 -3.746 100 HG2 PRO 33 HG2 PRO 33 -1.084 4.698 -2.503 101 HG3 PRO 33 HG3 PRO 33 0.071 3.394 -2.078 102 HD2 PRO 33 HD2 PRO 33 -0.019 5.751 -0.709 103 HD3 PRO 33 HD3 PRO 33 1.526 4.901 -1.004 104 H VAL 34 H VAL 34 0.405 6.461 -6.192 105 HA VAL 34 HA VAL 34 -1.846 8.376 -5.782 106 HB VAL 34 HB VAL 34 0.124 9.147 -7.052 107 HG11 VAL 34 HG11 VAL 34 -0.856 7.306 -9.272 108 HG12 VAL 34 HG12 VAL 34 0.466 8.487 -9.362 109 HG13 VAL 34 HG13 VAL 34 0.629 7.059 -8.326 110 HG21 VAL 34 HG21 VAL 34 -2.087 10.211 -7.281 111 HG22 VAL 34 HG22 VAL 34 -1.131 10.301 -8.768 112 HG23 VAL 34 HG23 VAL 34 -2.460 9.136 -8.649 113 H LYS 35 H LYS 35 -3.818 8.037 -6.545 114 HA LYS 35 HA LYS 35 -4.719 5.359 -7.272 115 HB2 LYS 35 HB2 LYS 35 -6.003 7.209 -5.975 116 HB3 LYS 35 HB3 LYS 35 -6.294 7.952 -7.552 117 HG2 LYS 35 HG2 LYS 35 -7.244 5.622 -8.238 118 HG3 LYS 35 HG3 LYS 35 -7.202 5.233 -6.520 119 HD2 LYS 35 HD2 LYS 35 -8.692 7.610 -7.702 120 HD3 LYS 35 HD3 LYS 35 -9.410 6.012 -7.480 121 HE2 LYS 35 HE2 LYS 35 -8.914 6.132 -5.036 122 HE3 LYS 35 HE3 LYS 35 -8.207 7.738 -5.256 123 HZ1 LYS 35 HZ1 LYS 35 -10.390 8.527 -6.004 124 HZ2 LYS 35 HZ2 LYS 35 -10.518 7.874 -4.515 125 HZ3 LYS 35 HZ3 LYS 35 -11.045 7.040 -5.813 126 H GLY 36 H GLY 36 -5.376 4.605 -9.269 127 HA2 GLY 36 HA2 GLY 36 -4.332 5.928 -11.684 128 HA3 GLY 36 HA3 GLY 36 -5.065 4.341 -11.596 129 H LEU 37 H LEU 37 -7.390 6.033 -10.170 130 HA LEU 37 HA LEU 37 -9.546 6.495 -10.777 131 HB2 LEU 37 HB2 LEU 37 -8.017 8.501 -12.478 132 HB3 LEU 37 HB3 LEU 37 -9.760 8.497 -12.304 133 HG LEU 37 HG LEU 37 -9.234 8.484 -9.703 134 HD11 LEU 37 HD11 LEU 37 -6.752 8.486 -9.964 135 HD12 LEU 37 HD12 LEU 37 -7.334 9.954 -9.171 136 HD13 LEU 37 HD13 LEU 37 -6.859 9.997 -10.883 137 HD21 LEU 37 HD21 LEU 37 -9.118 10.930 -11.493 138 HD22 LEU 37 HD22 LEU 37 -9.483 10.929 -9.748 139 HD23 LEU 37 HD23 LEU 37 -10.581 10.124 -10.881 140 H CYS 38 H CYS 38 -8.683 4.221 -12.100 141 HA CYS 38 HA CYS 38 -9.989 4.377 -14.785 142 HB2 CYS 38 HB2 CYS 38 -8.882 2.498 -15.469 143 HB3 CYS 38 HB3 CYS 38 -7.684 3.425 -14.613 144 H LYS 39 H LYS 39 -10.980 2.147 -15.383 145 HA LYS 39 HA LYS 39 -13.497 1.971 -13.907 146 HB2 LYS 39 HB2 LYS 39 -12.502 0.576 -16.436 147 HB3 LYS 39 HB3 LYS 39 -14.113 0.390 -15.757 148 HG2 LYS 39 HG2 LYS 39 -14.617 2.019 -17.241 149 HG3 LYS 39 HG3 LYS 39 -14.234 3.002 -15.849 150 HD2 LYS 39 HD2 LYS 39 -13.023 4.170 -17.342 151 HD3 LYS 39 HD3 LYS 39 -11.764 2.988 -17.035 152 HE2 LYS 39 HE2 LYS 39 -13.817 2.883 -19.298 153 HE3 LYS 39 HE3 LYS 39 -12.174 3.500 -19.452 154 HZ1 LYS 39 HZ1 LYS 39 -12.298 1.226 -20.221 155 HZ2 LYS 39 HZ2 LYS 39 -12.877 0.689 -18.799 156 HZ3 LYS 39 HZ3 LYS 39 -11.345 1.271 -18.903 157 H ALA 40 H ALA 40 -10.713 0.517 -13.102 158 HA ALA 40 HA ALA 40 -12.005 -1.990 -12.101 159 HB1 ALA 40 HB1 ALA 40 -9.820 -3.093 -12.462 160 HB2 ALA 40 HB2 ALA 40 -10.469 -2.438 -13.977 161 HB3 ALA 40 HB3 ALA 40 -9.164 -1.581 -13.131 162 H ARG 41 H ARG 41 -11.128 -2.873 -10.177 163 HA ARG 41 HA ARG 41 -9.628 -1.058 -8.344 164 HB2 ARG 41 HB2 ARG 41 -11.186 -1.612 -6.500 165 HB3 ARG 41 HB3 ARG 41 -11.800 -0.510 -7.727 166 HG2 ARG 41 HG2 ARG 41 -13.257 -2.129 -8.661 167 HG3 ARG 41 HG3 ARG 41 -12.528 -3.461 -7.744 168 HD2 ARG 41 HD2 ARG 41 -13.291 -2.544 -5.645 169 HD3 ARG 41 HD3 ARG 41 -13.877 -1.068 -6.434 170 HE ARG 41 HE ARG 41 -15.357 -2.739 -7.772 171 HH11 ARG 41 HH11 ARG 41 -14.725 -3.038 -4.344 172 HH12 ARG 41 HH12 ARG 41 -16.241 -3.840 -4.032 173 HH21 ARG 41 HH21 ARG 41 -17.279 -3.761 -7.315 174 HH22 ARG 41 HH22 ARG 41 -17.647 -4.228 -5.681 175 H PHE 42 H PHE 42 -7.880 -2.314 -8.743 176 HA PHE 42 HA PHE 42 -7.682 -5.114 -7.934 177 HB2 PHE 42 HB2 PHE 42 -5.403 -3.133 -8.241 178 HB3 PHE 42 HB3 PHE 42 -5.345 -4.882 -8.416 179 HD1 PHE 42 HD2 PHE 42 -6.913 -5.886 -10.356 180 HD2 PHE 42 HD1 PHE 42 -5.508 -1.818 -10.159 181 HE1 PHE 42 HE2 PHE 42 -7.356 -5.615 -12.784 182 HE2 PHE 42 HE1 PHE 42 -5.979 -1.537 -12.590 183 HZ PHE 42 HZ PHE 42 -6.899 -3.440 -13.898 184 H THR 43 H THR 43 -5.939 -5.695 -6.261 185 HA THR 43 HA THR 43 -6.119 -3.998 -3.788 186 HB THR 43 HB THR 43 -6.031 -7.038 -3.869 187 HG1 THR 43 HG1 THR 43 -8.031 -6.259 -4.581 188 HG21 THR 43 HG21 THR 43 -6.618 -6.848 -1.484 189 HG22 THR 43 HG22 THR 43 -6.568 -5.077 -1.593 190 HG23 THR 43 HG23 THR 43 -5.082 -6.031 -1.800 191 H ARG 44 H ARG 44 -4.190 -3.156 -3.395 192 HA ARG 44 HA ARG 44 -1.680 -4.772 -3.800 193 HB2 ARG 44 HB2 ARG 44 -1.966 -1.752 -4.045 194 HB3 ARG 44 HB3 ARG 44 -0.493 -2.689 -4.277 195 HG2 ARG 44 HG2 ARG 44 -2.959 -2.638 -6.035 196 HG3 ARG 44 HG3 ARG 44 -1.382 -1.972 -6.413 197 HD2 ARG 44 HD2 ARG 44 -1.942 -4.952 -6.050 198 HD3 ARG 44 HD3 ARG 44 -1.864 -4.114 -7.598 199 HE ARG 44 HE ARG 44 0.542 -3.567 -6.174 200 HH11 ARG 44 HH11 ARG 44 -0.928 -6.224 -7.908 201 HH12 ARG 44 HH12 ARG 44 0.610 -6.904 -8.356 202 HH21 ARG 44 HH21 ARG 44 2.468 -4.568 -6.620 203 HH22 ARG 44 HH22 ARG 44 2.484 -5.968 -7.651 204 H TYR 45 H TYR 45 0.107 -4.018 -2.393 205 HA TYR 45 HA TYR 45 -0.817 -2.903 0.225 206 HB2 TYR 45 HB2 TYR 45 0.892 -5.384 -0.166 207 HB3 TYR 45 HB3 TYR 45 0.551 -4.608 1.373 208 HD1 TYR 45 HD2 TYR 45 -0.997 -6.444 -1.488 209 HD2 TYR 45 HD1 TYR 45 -1.538 -5.023 2.554 210 HE1 TYR 45 HE2 TYR 45 -3.064 -7.814 -1.280 211 HE2 TYR 45 HE1 TYR 45 -3.583 -6.430 2.759 212 HH TYR 45 HH TYR 45 -4.984 -7.917 1.739 213 H TYR 46 H TYR 46 0.571 -1.581 1.241 214 HA TYR 46 HA TYR 46 3.285 -1.092 0.087 215 HB2 TYR 46 HB2 TYR 46 1.114 0.955 0.736 216 HB3 TYR 46 HB3 TYR 46 2.786 1.362 0.425 217 HD1 TYR 46 HD1 TYR 46 -0.262 -0.134 -1.191 218 HD2 TYR 46 HD2 TYR 46 3.616 1.665 -1.776 219 HE1 TYR 46 HE1 TYR 46 -0.763 0.169 -3.628 220 HE2 TYR 46 HE2 TYR 46 3.102 1.974 -4.188 221 HH TYR 46 HH TYR 46 1.478 1.906 -5.791 222 H CYS 47 H CYS 47 4.627 0.244 1.670 223 HA CYS 47 HA CYS 47 3.884 -0.380 4.507 224 HB2 CYS 47 HB2 CYS 47 5.835 -1.663 3.674 225 HB3 CYS 47 HB3 CYS 47 6.671 -0.140 3.359 226 H MET 48 H MET 48 3.906 1.175 5.964 227 HA MET 48 HA MET 48 4.630 3.968 5.174 228 HB2 MET 48 HB2 MET 48 2.214 3.162 6.825 229 HB3 MET 48 HB3 MET 48 2.673 4.781 6.265 230 HG2 MET 48 HG2 MET 48 2.479 3.848 3.876 231 HG3 MET 48 HG3 MET 48 1.754 2.412 4.600 232 HE1 MET 48 HE1 MET 48 1.159 5.802 3.048 233 HE2 MET 48 HE2 MET 48 -0.137 6.549 4.007 234 HE3 MET 48 HE3 MET 48 1.486 6.353 4.707 235 H GLY 49 H GLY 49 6.603 3.768 6.113 236 HA2 GLY 49 HA2 GLY 49 8.167 4.145 7.760 237 HA3 GLY 49 HA3 GLY 49 6.872 4.319 8.945 238 H ASN 50 H ASN 50 5.870 2.303 9.688 239 HA ASN 50 HA ASN 50 7.764 -0.023 9.833 240 HB2 ASN 50 HB2 ASN 50 6.390 1.330 12.190 241 HB3 ASN 50 HB3 ASN 50 7.436 -0.083 12.279 242 HD21 ASN 50 HD21 ASN 50 9.768 0.308 11.311 243 HD22 ASN 50 HD22 ASN 50 10.428 1.890 11.697 244 H CYS 51 H CYS 51 4.604 0.817 9.091 245 HA CYS 51 HA CYS 51 3.596 -1.944 9.692 246 HB2 CYS 51 HB2 CYS 51 2.185 0.739 9.860 247 HB3 CYS 51 HB3 CYS 51 1.319 -0.770 9.644 248 H CYS 52 H CYS 52 2.683 -3.040 8.041 249 HA CYS 52 HA CYS 52 2.596 -1.916 5.328 250 HB2 CYS 52 HB2 CYS 52 1.904 -4.614 6.514 251 HB3 CYS 52 HB3 CYS 52 1.705 -4.221 4.804 252 H LYS 53 H LYS 53 0.766 -1.582 4.112 253 HA LYS 53 HA LYS 53 -1.931 -1.459 5.384 254 HB2 LYS 53 HB2 LYS 53 -0.363 0.638 5.684 255 HB3 LYS 53 HB3 LYS 53 -0.710 0.964 3.998 256 HG2 LYS 53 HG2 LYS 53 -2.777 0.682 6.236 257 HG3 LYS 53 HG3 LYS 53 -2.093 2.207 5.661 258 HD2 LYS 53 HD2 LYS 53 -3.005 1.575 3.341 259 HD3 LYS 53 HD3 LYS 53 -3.956 0.336 4.181 260 HE2 LYS 53 HE2 LYS 53 -4.040 3.315 4.806 261 HE3 LYS 53 HE3 LYS 53 -5.158 2.490 3.717 262 HZ1 LYS 53 HZ1 LYS 53 -4.860 1.870 6.608 263 HZ2 LYS 53 HZ2 LYS 53 -5.882 1.106 5.581 264 HZ3 LYS 53 HZ3 LYS 53 -6.102 2.681 5.932 265 H VAL 54 H VAL 54 -3.472 -2.064 3.993 266 HA VAL 54 HA VAL 54 -2.882 -2.715 1.206 267 HB VAL 54 HB VAL 54 -4.338 -4.073 2.707 268 HG11 VAL 54 HG11 VAL 54 -6.514 -2.037 2.128 269 HG12 VAL 54 HG12 VAL 54 -6.658 -3.558 3.023 270 HG13 VAL 54 HG13 VAL 54 -5.700 -2.233 3.703 271 HG21 VAL 54 HG21 VAL 54 -4.350 -4.402 0.267 272 HG22 VAL 54 HG22 VAL 54 -5.921 -4.741 0.995 273 HG23 VAL 54 HG23 VAL 54 -5.673 -3.226 0.107 274 H TYR 55 H TYR 55 -3.705 -1.810 -0.653 275 HA TYR 55 HA TYR 55 -5.268 0.727 -0.528 276 HB2 TYR 55 HB2 TYR 55 -2.618 0.239 -1.898 277 HB3 TYR 55 HB3 TYR 55 -3.779 1.347 -2.597 278 HD1 TYR 55 HD2 TYR 55 -1.645 0.781 0.425 279 HD2 TYR 55 HD1 TYR 55 -4.244 3.500 -1.689 280 HE1 TYR 55 HE2 TYR 55 -0.868 2.665 1.870 281 HE2 TYR 55 HE1 TYR 55 -3.484 5.364 -0.237 282 HH TYR 55 HH TYR 55 -2.185 5.977 1.532 283 H GLU 56 H GLU 56 -6.826 0.910 -2.010 284 HA GLU 56 HA GLU 56 -7.189 -1.184 -4.096 285 HB2 GLU 56 HB2 GLU 56 -9.252 -0.366 -2.011 286 HB3 GLU 56 HB3 GLU 56 -9.528 -1.446 -3.380 287 HG2 GLU 56 HG2 GLU 56 -7.871 -3.055 -2.421 288 HG3 GLU 56 HG3 GLU 56 -7.629 -1.974 -1.051 289 H GLY 57 H GLY 57 -7.581 -0.218 -6.012 290 HA2 GLY 57 HA2 GLY 57 -9.343 1.477 -7.024 291 HA3 GLY 57 HA3 GLY 57 -8.492 2.649 -6.037 292 H CYS 58 H CYS 58 -7.765 0.181 -8.520 293 HA CYS 58 HA CYS 58 -6.335 0.146 -10.289 294 HB2 CYS 58 HB2 CYS 58 -8.130 1.843 -10.795 295 HB3 CYS 58 HB3 CYS 58 -6.915 3.090 -10.521 296 H TYR 59 H TYR 59 -4.931 0.584 -7.758 297 HA TYR 59 HA TYR 59 -2.838 2.553 -8.105 298 HB2 TYR 59 HB2 TYR 59 -3.256 0.277 -6.142 299 HB3 TYR 59 HB3 TYR 59 -1.799 1.256 -6.140 300 HD1 TYR 59 HD1 TYR 59 -1.805 3.608 -5.546 301 HD2 TYR 59 HD2 TYR 59 -5.432 1.306 -5.501 302 HE1 TYR 59 HE1 TYR 59 -2.953 5.450 -4.303 303 HE2 TYR 59 HE2 TYR 59 -6.613 3.180 -4.348 304 HH TYR 59 HH TYR 59 -6.403 5.241 -3.372 305 H THR 60 H THR 60 -2.843 -0.931 -8.451 306 HA THR 60 HA THR 60 -1.482 -2.543 -9.191 307 HB THR 60 HB THR 60 -0.626 -2.401 -11.430 308 HG1 THR 60 HG1 THR 60 -0.857 -0.467 -12.585 309 HG21 THR 60 HG21 THR 60 -3.054 -2.731 -11.051 310 HG22 THR 60 HG22 THR 60 -2.703 -1.916 -12.582 311 HG23 THR 60 HG23 THR 60 -3.305 -0.973 -11.205 312 H GLY 61 H GLY 61 0.225 0.133 -8.164 313 HA2 GLY 61 HA2 GLY 61 2.933 -1.011 -8.425 314 HA3 GLY 61 HA3 GLY 61 2.480 0.490 -7.612 315 H GLY 62 H GLY 62 4.173 -0.521 -6.115 316 HA2 GLY 62 HA2 GLY 62 4.650 -1.351 -4.003 317 HA3 GLY 62 HA3 GLY 62 2.910 -1.399 -3.701 318 H TYR 63 H TYR 63 3.558 -3.275 -2.429 319 HA TYR 63 HA TYR 63 4.461 -5.767 -3.623 320 HB2 TYR 63 HB2 TYR 63 3.117 -5.142 -0.961 321 HB3 TYR 63 HB3 TYR 63 3.869 -6.662 -1.390 322 HD1 TYR 63 HD1 TYR 63 6.401 -6.657 -1.973 323 HD2 TYR 63 HD2 TYR 63 4.399 -3.391 0.015 324 HE1 TYR 63 HE1 TYR 63 8.586 -5.851 -1.079 325 HE2 TYR 63 HE2 TYR 63 6.585 -2.584 0.891 326 HH TYR 63 HH TYR 63 8.850 -2.908 0.941 327 H SER 64 H SER 64 3.223 -7.615 -4.085 328 HA SER 64 HA SER 64 0.528 -7.168 -5.061 329 HB2 SER 64 HB2 SER 64 0.669 -9.563 -5.702 330 HB3 SER 64 HB3 SER 64 2.042 -8.601 -6.279 331 HG SER 64 HG SER 64 2.721 -10.582 -5.338 332 H ARG 65 H ARG 65 1.868 -8.748 -2.199 333 HA ARG 65 HA ARG 65 -0.871 -9.031 -1.038 334 HB2 ARG 65 HB2 ARG 65 1.313 -11.143 -0.815 335 HB3 ARG 65 HB3 ARG 65 -0.297 -11.183 -0.100 336 HG2 ARG 65 HG2 ARG 65 -1.142 -11.001 -2.601 337 HG3 ARG 65 HG3 ARG 65 0.507 -11.507 -2.993 338 HD2 ARG 65 HD2 ARG 65 -0.656 -13.521 -2.903 339 HD3 ARG 65 HD3 ARG 65 0.096 -13.440 -1.293 340 HE ARG 65 HE ARG 65 -2.453 -12.222 -1.090 341 HH11 ARG 65 HH11 ARG 65 -1.315 -15.451 -1.774 342 HH12 ARG 65 HH12 ARG 65 -2.808 -16.188 -1.256 343 HH21 ARG 65 HH21 ARG 65 -4.322 -13.199 -0.443 344 HH22 ARG 65 HH22 ARG 65 -4.464 -14.929 -0.516 345 H MET 66 H MET 66 -0.912 -9.182 1.283 346 HA MET 66 HA MET 66 0.753 -7.418 2.742 347 HB2 MET 66 HB2 MET 66 -1.530 -8.273 3.421 348 HB3 MET 66 HB3 MET 66 -0.776 -9.808 3.856 349 HG2 MET 66 HG2 MET 66 -1.019 -8.515 5.863 350 HG3 MET 66 HG3 MET 66 0.692 -8.572 5.476 351 HE1 MET 66 HE1 MET 66 -2.231 -6.360 6.518 352 HE2 MET 66 HE2 MET 66 -2.070 -4.884 5.542 353 HE3 MET 66 HE3 MET 66 -2.552 -6.413 4.773 354 H GLY 67 H GLY 67 1.085 -10.946 2.243 355 HA2 GLY 67 HA2 GLY 67 3.316 -11.334 4.018 356 HA3 GLY 67 HA3 GLY 67 2.790 -12.426 2.741 357 H GLU 68 H GLU 68 3.243 -9.978 0.802 358 HA GLU 68 HA GLU 68 6.159 -10.364 0.348 359 HB2 GLU 68 HB2 GLU 68 3.997 -8.865 -1.167 360 HB3 GLU 68 HB3 GLU 68 5.702 -8.801 -1.594 361 HG2 GLU 68 HG2 GLU 68 3.950 -11.285 -1.564 362 HG3 GLU 68 HG3 GLU 68 4.468 -10.375 -2.982 363 H CYS 69 H CYS 69 3.899 -7.854 1.497 364 HA CYS 69 HA CYS 69 5.934 -5.803 1.797 365 HB2 CYS 69 HB2 CYS 69 3.533 -5.335 1.593 366 HB3 CYS 69 HB3 CYS 69 3.215 -6.121 3.137 367 H ALA 70 H ALA 70 4.370 -7.991 4.169 368 HA ALA 70 HA ALA 70 5.786 -7.078 6.424 369 HB1 ALA 70 HB1 ALA 70 3.596 -8.206 6.446 370 HB2 ALA 70 HB2 ALA 70 4.363 -9.731 5.941 371 HB3 ALA 70 HB3 ALA 70 4.745 -9.017 7.524 372 H ARG 71 H ARG 71 6.923 -9.364 4.051 373 HA ARG 71 HA ARG 71 9.029 -10.489 5.793 374 HB2 ARG 71 HB2 ARG 71 9.840 -11.650 3.862 375 HB3 ARG 71 HB3 ARG 71 8.091 -11.830 3.969 376 HG2 ARG 71 HG2 ARG 71 7.798 -10.119 2.210 377 HG3 ARG 71 HG3 ARG 71 9.548 -9.875 2.123 378 HD2 ARG 71 HD2 ARG 71 8.891 -11.269 0.288 379 HD3 ARG 71 HD3 ARG 71 9.824 -12.247 1.437 380 HE ARG 71 HE ARG 71 6.938 -12.358 1.895 381 HH11 ARG 71 HH11 ARG 71 9.406 -13.786 -0.130 382 HH12 ARG 71 HH12 ARG 71 8.505 -15.261 -0.356 383 HH21 ARG 71 HH21 ARG 71 5.850 -14.238 1.595 384 HH22 ARG 71 HH22 ARG 71 6.518 -15.496 0.593 385 H ASN 72 H ASN 72 8.730 -7.595 3.974 386 HA ASN 72 HA ASN 72 11.682 -7.114 4.046 387 HB2 ASN 72 HB2 ASN 72 9.455 -5.931 2.336 388 HB3 ASN 72 HB3 ASN 72 11.081 -5.254 2.409 389 HD21 ASN 72 HD21 ASN 72 12.887 -7.155 2.160 390 HD22 ASN 72 HD22 ASN 72 12.543 -8.161 0.759 391 H CYS 73 H CYS 73 8.586 -5.390 4.752 392 HA CYS 73 HA CYS 73 10.013 -3.406 6.380 393 HB2 CYS 73 HB2 CYS 73 7.297 -3.742 5.321 394 HB3 CYS 73 HB3 CYS 73 7.287 -3.257 7.013 395 HA PRO 74 HA PRO 74 10.260 -5.557 10.090 396 HB2 PRO 74 HB2 PRO 74 10.140 -3.681 12.064 397 HB3 PRO 74 HB3 PRO 74 11.415 -3.694 10.809 398 HG2 PRO 74 HG2 PRO 74 8.844 -2.077 10.827 399 HG3 PRO 74 HG3 PRO 74 10.520 -1.489 10.554 400 HD2 PRO 74 HD2 PRO 74 8.856 -2.069 8.486 401 HD3 PRO 74 HD3 PRO 74 10.605 -2.439 8.400 402 H GLY 75 H GLY 75 7.156 -4.144 9.625 403 HA2 GLY 75 HA2 GLY 75 5.922 -5.490 12.003 404 HA3 GLY 75 HA3 GLY 75 5.231 -4.149 11.100 Start of MODEL 2 1 H1 GLY 19 H1 GLY 19 -10.713 5.124 18.571 2 H2 GLY 19 H2 GLY 19 -9.423 5.354 17.584 3 H3 GLY 19 H3 GLY 19 -10.210 3.919 17.582 4 HA2 GLY 19 HA2 GLY 19 -8.684 5.010 19.863 5 HA3 GLY 19 HA3 GLY 19 -9.530 3.452 19.839 6 H ASP 20 H ASP 20 -6.694 5.203 18.846 7 HA ASP 20 HA ASP 20 -5.546 2.823 17.428 8 HB2 ASP 20 HB2 ASP 20 -5.590 5.722 16.507 9 HB3 ASP 20 HB3 ASP 20 -4.669 4.423 15.749 10 H LYS 21 H LYS 21 -4.526 2.472 19.476 11 HA LYS 21 HA LYS 21 -2.283 4.332 20.172 12 HB2 LYS 21 HB2 LYS 21 -4.155 3.686 21.850 13 HB3 LYS 21 HB3 LYS 21 -3.390 2.109 21.915 14 HG2 LYS 21 HG2 LYS 21 -2.469 3.261 23.744 15 HG3 LYS 21 HG3 LYS 21 -1.205 3.330 22.526 16 HD2 LYS 21 HD2 LYS 21 -1.322 5.485 23.544 17 HD3 LYS 21 HD3 LYS 21 -2.024 5.679 21.934 18 HE2 LYS 21 HE2 LYS 21 -4.312 5.483 22.936 19 HE3 LYS 21 HE3 LYS 21 -3.584 5.281 24.534 20 HZ1 LYS 21 HZ1 LYS 21 -3.322 7.704 22.831 21 HZ2 LYS 21 HZ2 LYS 21 -2.634 7.519 24.303 22 HZ3 LYS 21 HZ3 LYS 21 -4.257 7.577 24.161 23 H GLU 22 H GLU 22 -2.881 0.823 19.975 24 HA GLU 22 HA GLU 22 -0.020 0.173 19.922 25 HB2 GLU 22 HB2 GLU 22 -2.512 -1.526 19.506 26 HB3 GLU 22 HB3 GLU 22 -0.860 -2.154 19.568 27 HG2 GLU 22 HG2 GLU 22 -0.590 -1.239 21.864 28 HG3 GLU 22 HG3 GLU 22 -2.261 -0.671 21.834 29 H GLU 23 H GLU 23 -2.349 0.941 17.472 30 HA GLU 23 HA GLU 23 -1.001 -0.403 15.246 31 HB2 GLU 23 HB2 GLU 23 -3.092 1.816 15.356 32 HB3 GLU 23 HB3 GLU 23 -2.496 1.109 13.859 33 HG2 GLU 23 HG2 GLU 23 -4.020 -0.327 16.049 34 HG3 GLU 23 HG3 GLU 23 -4.608 0.126 14.448 35 H CYS 24 H CYS 24 -0.290 0.823 13.370 36 HA CYS 24 HA CYS 24 1.722 2.897 14.082 37 HB2 CYS 24 HB2 CYS 24 2.550 2.568 11.818 38 HB3 CYS 24 HB3 CYS 24 2.473 1.045 12.695 39 H THR 25 H THR 25 1.874 4.877 12.966 40 HA THR 25 HA THR 25 -0.274 5.790 11.166 41 HB THR 25 HB THR 25 -0.412 7.994 12.369 42 HG1 THR 25 HG1 THR 25 1.394 7.804 13.721 43 HG21 THR 25 HG21 THR 25 -2.036 7.334 14.026 44 HG22 THR 25 HG22 THR 25 -1.411 5.676 14.069 45 HG23 THR 25 HG23 THR 25 -2.214 6.289 12.605 46 H VAL 26 H VAL 26 0.329 7.734 9.991 47 HA VAL 26 HA VAL 26 3.161 8.578 10.028 48 HB VAL 26 HB VAL 26 3.187 8.470 7.483 49 HG11 VAL 26 HG11 VAL 26 4.493 6.935 8.935 50 HG12 VAL 26 HG12 VAL 26 3.155 5.766 8.860 51 HG13 VAL 26 HG13 VAL 26 4.029 6.230 7.382 52 HG21 VAL 26 HG21 VAL 26 0.771 8.026 7.101 53 HG22 VAL 26 HG22 VAL 26 1.835 6.841 6.337 54 HG23 VAL 26 HG23 VAL 26 0.977 6.410 7.824 55 HA PRO 27 HA PRO 27 1.243 12.502 9.276 56 HB2 PRO 27 HB2 PRO 27 3.208 13.984 8.083 57 HB3 PRO 27 HB3 PRO 27 3.310 13.428 9.779 58 HG2 PRO 27 HG2 PRO 27 4.525 12.114 7.323 59 HG3 PRO 27 HG3 PRO 27 5.339 12.536 8.866 60 HD2 PRO 27 HD2 PRO 27 4.401 10.038 8.404 61 HD3 PRO 27 HD3 PRO 27 4.258 10.780 10.023 62 H ILE 28 H ILE 28 0.420 13.942 7.656 63 HA ILE 28 HA ILE 28 -0.535 12.779 5.267 64 HB ILE 28 HB ILE 28 -1.630 14.618 6.448 65 HG12 ILE 28 HG12 ILE 28 -2.299 16.049 4.562 66 HG13 ILE 28 HG13 ILE 28 -0.975 15.429 3.582 67 HG21 ILE 28 HG21 ILE 28 0.554 16.452 5.363 68 HG22 ILE 28 HG22 ILE 28 -0.883 16.935 6.280 69 HG23 ILE 28 HG23 ILE 28 0.365 15.970 7.065 70 HD11 ILE 28 HD11 ILE 28 -3.270 13.754 4.717 71 HD12 ILE 28 HD12 ILE 28 -3.174 14.380 3.058 72 HD13 ILE 28 HD13 ILE 28 -2.003 13.174 3.608 73 H GLY 29 H GLY 29 2.439 14.500 5.812 74 HA2 GLY 29 HA2 GLY 29 3.078 14.944 2.997 75 HA3 GLY 29 HA3 GLY 29 4.109 15.274 4.383 76 H TRP 30 H TRP 30 3.080 12.004 4.571 77 HA TRP 30 HA TRP 30 5.701 10.972 4.005 78 HB2 TRP 30 HB2 TRP 30 4.071 10.002 5.618 79 HB3 TRP 30 HB3 TRP 30 3.039 9.520 4.272 80 HD1 TRP 30 HD1 TRP 30 3.779 7.455 2.863 81 HE1 TRP 30 HE1 TRP 30 5.647 5.674 3.037 82 HE3 TRP 30 HE3 TRP 30 6.490 9.531 6.657 83 HZ2 TRP 30 HZ2 TRP 30 8.094 5.313 4.533 84 HZ3 TRP 30 HZ3 TRP 30 8.609 8.471 7.425 85 HH2 TRP 30 HH2 TRP 30 9.427 6.386 6.357 86 H SER 31 H SER 31 6.241 9.362 2.405 87 HA SER 31 HA SER 31 5.437 10.083 -0.316 88 HB2 SER 31 HB2 SER 31 7.780 9.621 0.426 89 HB3 SER 31 HB3 SER 31 7.362 7.904 0.552 90 HG SER 31 HG SER 31 8.265 8.464 -1.503 91 H GLU 32 H GLU 32 3.205 9.454 0.177 92 HA GLU 32 HA GLU 32 2.399 6.642 0.002 93 HB2 GLU 32 HB2 GLU 32 0.122 7.589 -0.358 94 HB3 GLU 32 HB3 GLU 32 0.921 8.159 1.105 95 HG2 GLU 32 HG2 GLU 32 1.395 10.314 0.070 96 HG3 GLU 32 HG3 GLU 32 0.818 9.738 -1.497 97 HA PRO 33 HA PRO 33 2.410 6.214 -4.475 98 HB2 PRO 33 HB2 PRO 33 0.481 4.335 -4.911 99 HB3 PRO 33 HB3 PRO 33 2.004 3.981 -4.045 100 HG2 PRO 33 HG2 PRO 33 -0.690 4.706 -2.828 101 HG3 PRO 33 HG3 PRO 33 0.327 3.281 -2.448 102 HD2 PRO 33 HD2 PRO 33 0.451 5.519 -0.946 103 HD3 PRO 33 HD3 PRO 33 1.935 4.603 -1.330 104 H VAL 34 H VAL 34 0.813 6.151 -6.391 105 HA VAL 34 HA VAL 34 -1.316 8.224 -6.085 106 HB VAL 34 HB VAL 34 0.644 9.032 -7.289 107 HG11 VAL 34 HG11 VAL 34 1.181 8.289 -9.541 108 HG12 VAL 34 HG12 VAL 34 1.363 6.934 -8.418 109 HG13 VAL 34 HG13 VAL 34 -0.066 7.030 -9.471 110 HG21 VAL 34 HG21 VAL 34 -1.605 9.954 -7.736 111 HG22 VAL 34 HG22 VAL 34 -0.537 10.040 -9.145 112 HG23 VAL 34 HG23 VAL 34 -1.802 8.802 -9.079 113 H LYS 35 H LYS 35 -3.270 7.845 -6.834 114 HA LYS 35 HA LYS 35 -4.078 5.133 -7.627 115 HB2 LYS 35 HB2 LYS 35 -5.318 6.865 -6.087 116 HB3 LYS 35 HB3 LYS 35 -5.827 7.618 -7.591 117 HG2 LYS 35 HG2 LYS 35 -6.713 5.197 -8.204 118 HG3 LYS 35 HG3 LYS 35 -6.478 4.865 -6.488 119 HD2 LYS 35 HD2 LYS 35 -7.891 7.119 -6.177 120 HD3 LYS 35 HD3 LYS 35 -8.351 6.809 -7.852 121 HE2 LYS 35 HE2 LYS 35 -10.086 5.833 -6.654 122 HE3 LYS 35 HE3 LYS 35 -9.068 4.451 -7.055 123 HZ1 LYS 35 HZ1 LYS 35 -9.135 5.897 -4.446 124 HZ2 LYS 35 HZ2 LYS 35 -8.117 4.663 -4.759 125 HZ3 LYS 35 HZ3 LYS 35 -9.727 4.405 -4.710 126 H GLY 36 H GLY 36 -4.637 4.463 -9.637 127 HA2 GLY 36 HA2 GLY 36 -4.055 6.022 -12.006 128 HA3 GLY 36 HA3 GLY 36 -4.729 4.402 -11.954 129 H LEU 37 H LEU 37 -6.867 6.157 -10.167 130 HA LEU 37 HA LEU 37 -9.056 6.734 -10.462 131 HB2 LEU 37 HB2 LEU 37 -7.706 8.322 -12.660 132 HB3 LEU 37 HB3 LEU 37 -9.429 8.423 -12.434 133 HG LEU 37 HG LEU 37 -8.324 10.278 -11.422 134 HD11 LEU 37 HD11 LEU 37 -9.538 8.522 -9.254 135 HD12 LEU 37 HD12 LEU 37 -10.451 9.459 -10.457 136 HD13 LEU 37 HD13 LEU 37 -9.427 10.289 -9.276 137 HD21 LEU 37 HD21 LEU 37 -6.936 10.162 -9.462 138 HD22 LEU 37 HD22 LEU 37 -6.194 9.198 -10.751 139 HD23 LEU 37 HD23 LEU 37 -7.051 8.394 -9.416 140 H CYS 38 H CYS 38 -8.161 4.258 -11.832 141 HA CYS 38 HA CYS 38 -9.611 3.914 -14.277 142 HB2 CYS 38 HB2 CYS 38 -8.826 1.663 -12.425 143 HB3 CYS 38 HB3 CYS 38 -8.895 1.647 -14.177 144 H LYS 39 H LYS 39 -11.232 2.179 -14.617 145 HA LYS 39 HA LYS 39 -13.644 2.548 -13.059 146 HB2 LYS 39 HB2 LYS 39 -14.692 1.156 -14.744 147 HB3 LYS 39 HB3 LYS 39 -13.648 2.362 -15.483 148 HG2 LYS 39 HG2 LYS 39 -11.871 0.593 -15.778 149 HG3 LYS 39 HG3 LYS 39 -13.007 -0.604 -15.128 150 HD2 LYS 39 HD2 LYS 39 -14.587 -0.111 -16.972 151 HD3 LYS 39 HD3 LYS 39 -13.482 1.132 -17.595 152 HE2 LYS 39 HE2 LYS 39 -11.723 -0.611 -17.907 153 HE3 LYS 39 HE3 LYS 39 -12.859 -1.844 -17.343 154 HZ1 LYS 39 HZ1 LYS 39 -12.813 -1.723 -19.769 155 HZ2 LYS 39 HZ2 LYS 39 -13.240 -0.148 -19.757 156 HZ3 LYS 39 HZ3 LYS 39 -14.294 -1.285 -19.240 157 H ALA 40 H ALA 40 -11.147 0.635 -12.180 158 HA ALA 40 HA ALA 40 -12.885 -1.335 -10.758 159 HB1 ALA 40 HB1 ALA 40 -11.160 -3.049 -11.145 160 HB2 ALA 40 HB2 ALA 40 -11.769 -2.416 -12.684 161 HB3 ALA 40 HB3 ALA 40 -10.187 -1.885 -12.069 162 H ARG 41 H ARG 41 -11.851 -2.317 -8.885 163 HA ARG 41 HA ARG 41 -9.993 -0.519 -7.366 164 HB2 ARG 41 HB2 ARG 41 -12.544 -1.786 -6.298 165 HB3 ARG 41 HB3 ARG 41 -11.362 -0.863 -5.359 166 HG2 ARG 41 HG2 ARG 41 -11.838 1.133 -6.826 167 HG3 ARG 41 HG3 ARG 41 -13.126 0.205 -7.607 168 HD2 ARG 41 HD2 ARG 41 -12.953 0.954 -4.658 169 HD3 ARG 41 HD3 ARG 41 -14.023 1.688 -5.844 170 HE ARG 41 HE ARG 41 -14.372 -0.863 -4.456 171 HH11 ARG 41 HH11 ARG 41 -15.483 0.907 -7.262 172 HH12 ARG 41 HH12 ARG 41 -16.924 -0.061 -7.408 173 HH21 ARG 41 HH21 ARG 41 -16.207 -2.052 -4.693 174 HH22 ARG 41 HH22 ARG 41 -17.315 -1.691 -5.981 175 H PHE 42 H PHE 42 -8.220 -1.796 -7.573 176 HA PHE 42 HA PHE 42 -8.229 -4.635 -6.792 177 HB2 PHE 42 HB2 PHE 42 -5.834 -2.852 -7.300 178 HB3 PHE 42 HB3 PHE 42 -5.920 -4.603 -7.410 179 HD1 PHE 42 HD2 PHE 42 -8.247 -5.147 -9.125 180 HD2 PHE 42 HD1 PHE 42 -5.291 -2.015 -9.418 181 HE1 PHE 42 HE2 PHE 42 -8.727 -4.915 -11.542 182 HE2 PHE 42 HE1 PHE 42 -5.780 -1.788 -11.839 183 HZ PHE 42 HZ PHE 42 -7.504 -3.230 -12.901 184 H THR 43 H THR 43 -6.412 -5.253 -5.209 185 HA THR 43 HA THR 43 -6.378 -3.471 -2.802 186 HB THR 43 HB THR 43 -6.529 -6.492 -2.637 187 HG1 THR 43 HG1 THR 43 -8.714 -6.167 -2.114 188 HG21 THR 43 HG21 THR 43 -5.659 -5.290 -0.654 189 HG22 THR 43 HG22 THR 43 -7.249 -5.990 -0.325 190 HG23 THR 43 HG23 THR 43 -7.104 -4.248 -0.650 191 H ARG 44 H ARG 44 -4.351 -2.846 -2.467 192 HA ARG 44 HA ARG 44 -2.015 -4.709 -2.978 193 HB2 ARG 44 HB2 ARG 44 -2.138 -1.687 -3.309 194 HB3 ARG 44 HB3 ARG 44 -0.672 -2.653 -3.422 195 HG2 ARG 44 HG2 ARG 44 -3.035 -2.785 -5.342 196 HG3 ARG 44 HG3 ARG 44 -1.488 -1.986 -5.594 197 HD2 ARG 44 HD2 ARG 44 -1.259 -3.941 -6.787 198 HD3 ARG 44 HD3 ARG 44 -0.373 -4.284 -5.297 199 HE ARG 44 HE ARG 44 -2.801 -5.295 -4.669 200 HH11 ARG 44 HH11 ARG 44 -1.066 -5.855 -7.648 201 HH12 ARG 44 HH12 ARG 44 -1.909 -7.348 -7.936 202 HH21 ARG 44 HH21 ARG 44 -3.740 -7.122 -5.009 203 HH22 ARG 44 HH22 ARG 44 -3.438 -8.065 -6.455 204 H TYR 45 H TYR 45 -0.116 -4.205 -1.647 205 HA TYR 45 HA TYR 45 -0.838 -3.180 1.077 206 HB2 TYR 45 HB2 TYR 45 0.596 -5.770 0.434 207 HB3 TYR 45 HB3 TYR 45 0.311 -5.090 2.037 208 HD1 TYR 45 HD2 TYR 45 -2.077 -4.774 2.843 209 HD2 TYR 45 HD1 TYR 45 -1.142 -7.027 -0.713 210 HE1 TYR 45 HE2 TYR 45 -4.309 -5.921 2.959 211 HE2 TYR 45 HE1 TYR 45 -3.349 -8.145 -0.601 212 HH TYR 45 HH TYR 45 -5.304 -8.385 0.569 213 H TYR 46 H TYR 46 0.242 -1.317 0.801 214 HA TYR 46 HA TYR 46 3.097 -1.259 -0.083 215 HB2 TYR 46 HB2 TYR 46 1.084 0.915 0.630 216 HB3 TYR 46 HB3 TYR 46 2.776 1.249 0.342 217 HD1 TYR 46 HD1 TYR 46 -0.315 -0.069 -1.306 218 HD2 TYR 46 HD2 TYR 46 3.676 1.477 -1.843 219 HE1 TYR 46 HE1 TYR 46 -0.760 0.256 -3.742 220 HE2 TYR 46 HE2 TYR 46 3.233 1.776 -4.266 221 HH TYR 46 HH TYR 46 1.616 1.816 -5.889 222 H CYS 47 H CYS 47 4.764 -0.302 1.298 223 HA CYS 47 HA CYS 47 4.244 -0.610 4.213 224 HB2 CYS 47 HB2 CYS 47 6.256 -1.676 3.231 225 HB3 CYS 47 HB3 CYS 47 6.872 -0.071 2.819 226 H MET 48 H MET 48 4.257 1.056 5.610 227 HA MET 48 HA MET 48 4.901 3.829 4.730 228 HB2 MET 48 HB2 MET 48 2.419 3.094 6.333 229 HB3 MET 48 HB3 MET 48 2.965 4.712 5.872 230 HG2 MET 48 HG2 MET 48 2.790 3.890 3.425 231 HG3 MET 48 HG3 MET 48 1.907 2.513 4.085 232 HE1 MET 48 HE1 MET 48 0.453 6.820 3.490 233 HE2 MET 48 HE2 MET 48 2.062 6.469 4.157 234 HE3 MET 48 HE3 MET 48 1.631 5.910 2.525 235 H GLY 49 H GLY 49 6.562 4.410 5.938 236 HA2 GLY 49 HA2 GLY 49 8.052 4.655 7.666 237 HA3 GLY 49 HA3 GLY 49 6.725 4.389 8.797 238 H ASN 50 H ASN 50 6.405 2.356 9.635 239 HA ASN 50 HA ASN 50 8.521 0.273 9.157 240 HB2 ASN 50 HB2 ASN 50 7.152 1.190 11.716 241 HB3 ASN 50 HB3 ASN 50 8.072 -0.306 11.602 242 HD21 ASN 50 HD21 ASN 50 8.974 1.272 13.499 243 HD22 ASN 50 HD22 ASN 50 10.440 2.090 12.968 244 H CYS 51 H CYS 51 5.165 0.760 8.748 245 HA CYS 51 HA CYS 51 4.582 -2.147 9.206 246 HB2 CYS 51 HB2 CYS 51 2.369 -1.505 9.882 247 HB3 CYS 51 HB3 CYS 51 3.551 -0.639 10.858 248 H CYS 52 H CYS 52 3.000 -3.138 7.892 249 HA CYS 52 HA CYS 52 2.825 -2.124 5.111 250 HB2 CYS 52 HB2 CYS 52 2.129 -4.788 6.381 251 HB3 CYS 52 HB3 CYS 52 1.968 -4.414 4.664 252 H LYS 53 H LYS 53 1.063 -1.134 4.388 253 HA LYS 53 HA LYS 53 -1.549 -1.331 5.846 254 HB2 LYS 53 HB2 LYS 53 -0.296 0.852 6.183 255 HB3 LYS 53 HB3 LYS 53 -0.458 1.143 4.443 256 HG2 LYS 53 HG2 LYS 53 -2.983 0.888 4.747 257 HG3 LYS 53 HG3 LYS 53 -2.712 0.822 6.487 258 HD2 LYS 53 HD2 LYS 53 -1.975 3.142 4.643 259 HD3 LYS 53 HD3 LYS 53 -3.438 3.037 5.628 260 HE2 LYS 53 HE2 LYS 53 -2.020 2.885 7.690 261 HE3 LYS 53 HE3 LYS 53 -0.580 3.118 6.687 262 HZ1 LYS 53 HZ1 LYS 53 -1.370 5.221 7.638 263 HZ2 LYS 53 HZ2 LYS 53 -2.825 5.056 6.920 264 HZ3 LYS 53 HZ3 LYS 53 -1.487 5.277 6.005 265 H VAL 54 H VAL 54 -3.298 -1.722 4.664 266 HA VAL 54 HA VAL 54 -3.077 -2.531 1.899 267 HB VAL 54 HB VAL 54 -4.636 -3.539 3.538 268 HG11 VAL 54 HG11 VAL 54 -6.400 -1.107 3.069 269 HG12 VAL 54 HG12 VAL 54 -6.793 -2.559 4.007 270 HG13 VAL 54 HG13 VAL 54 -5.532 -1.457 4.583 271 HG21 VAL 54 HG21 VAL 54 -4.889 -3.836 1.083 272 HG22 VAL 54 HG22 VAL 54 -6.410 -3.973 1.979 273 HG23 VAL 54 HG23 VAL 54 -6.058 -2.498 1.060 274 H TYR 55 H TYR 55 -3.836 -1.603 0.069 275 HA TYR 55 HA TYR 55 -5.004 1.145 0.101 276 HB2 TYR 55 HB2 TYR 55 -2.642 0.111 -1.461 277 HB3 TYR 55 HB3 TYR 55 -3.748 1.220 -2.245 278 HD1 TYR 55 HD2 TYR 55 -1.496 0.901 0.743 279 HD2 TYR 55 HD1 TYR 55 -3.800 3.530 -1.782 280 HE1 TYR 55 HE2 TYR 55 -0.460 2.892 1.849 281 HE2 TYR 55 HE1 TYR 55 -2.780 5.503 -0.676 282 HH TYR 55 HH TYR 55 -1.441 6.231 1.013 283 H GLU 56 H GLU 56 -6.738 1.398 -1.141 284 HA GLU 56 HA GLU 56 -7.801 -0.959 -2.648 285 HB2 GLU 56 HB2 GLU 56 -9.264 0.945 -0.790 286 HB3 GLU 56 HB3 GLU 56 -10.016 -0.305 -1.794 287 HG2 GLU 56 HG2 GLU 56 -8.710 -2.049 -0.595 288 HG3 GLU 56 HG3 GLU 56 -8.002 -0.807 0.442 289 H GLY 57 H GLY 57 -7.781 -0.474 -4.739 290 HA2 GLY 57 HA2 GLY 57 -9.232 1.320 -6.201 291 HA3 GLY 57 HA3 GLY 57 -7.877 2.316 -5.662 292 H CYS 58 H CYS 58 -7.648 2.456 -8.046 293 HA CYS 58 HA CYS 58 -6.358 0.200 -9.414 294 HB2 CYS 58 HB2 CYS 58 -7.847 1.938 -10.479 295 HB3 CYS 58 HB3 CYS 58 -6.506 3.076 -10.340 296 H TYR 59 H TYR 59 -4.661 -0.234 -7.972 297 HA TYR 59 HA TYR 59 -2.306 1.616 -8.094 298 HB2 TYR 59 HB2 TYR 59 -3.265 -0.121 -5.790 299 HB3 TYR 59 HB3 TYR 59 -1.705 0.678 -5.858 300 HD1 TYR 59 HD2 TYR 59 -1.553 3.191 -5.872 301 HD2 TYR 59 HD1 TYR 59 -5.240 1.088 -5.117 302 HE1 TYR 59 HE2 TYR 59 -2.500 5.230 -4.776 303 HE2 TYR 59 HE1 TYR 59 -6.171 3.113 -4.009 304 HH TYR 59 HH TYR 59 -5.728 5.257 -3.259 305 H THR 60 H THR 60 -0.508 0.752 -8.869 306 HA THR 60 HA THR 60 -0.189 -2.217 -9.172 307 HB THR 60 HB THR 60 0.702 -1.756 -11.447 308 HG1 THR 60 HG1 THR 60 0.260 0.285 -12.335 309 HG21 THR 60 HG21 THR 60 -2.129 -0.677 -11.114 310 HG22 THR 60 HG22 THR 60 -1.691 -2.400 -11.144 311 HG23 THR 60 HG23 THR 60 -1.408 -1.388 -12.570 312 H GLY 61 H GLY 61 1.274 0.466 -7.854 313 HA2 GLY 61 HA2 GLY 61 4.054 -0.145 -8.687 314 HA3 GLY 61 HA3 GLY 61 3.492 1.275 -7.824 315 H GLY 62 H GLY 62 2.190 -1.329 -6.221 316 HA2 GLY 62 HA2 GLY 62 4.471 -1.591 -4.280 317 HA3 GLY 62 HA3 GLY 62 2.807 -1.313 -3.767 318 H TYR 63 H TYR 63 3.905 -3.345 -2.609 319 HA TYR 63 HA TYR 63 4.061 -5.831 -3.906 320 HB2 TYR 63 HB2 TYR 63 3.317 -5.334 -1.011 321 HB3 TYR 63 HB3 TYR 63 3.971 -6.809 -1.676 322 HD1 TYR 63 HD1 TYR 63 6.337 -6.788 -2.677 323 HD2 TYR 63 HD2 TYR 63 4.772 -3.585 -0.241 324 HE1 TYR 63 HE1 TYR 63 8.653 -6.006 -2.212 325 HE2 TYR 63 HE2 TYR 63 7.099 -2.810 0.223 326 HH TYR 63 HH TYR 63 9.950 -4.399 -1.232 327 H SER 64 H SER 64 2.701 -7.415 -4.413 328 HA SER 64 HA SER 64 -0.171 -6.923 -4.507 329 HB2 SER 64 HB2 SER 64 1.451 -9.381 -5.267 330 HB3 SER 64 HB3 SER 64 -0.277 -9.153 -5.585 331 HG SER 64 HG SER 64 1.850 -7.516 -6.566 332 H ARG 65 H ARG 65 1.870 -8.520 -2.150 333 HA ARG 65 HA ARG 65 -0.515 -9.600 -0.739 334 HB2 ARG 65 HB2 ARG 65 1.098 -11.238 -1.995 335 HB3 ARG 65 HB3 ARG 65 2.272 -10.828 -0.750 336 HG2 ARG 65 HG2 ARG 65 0.571 -11.581 0.957 337 HG3 ARG 65 HG3 ARG 65 -0.483 -12.052 -0.390 338 HD2 ARG 65 HD2 ARG 65 1.303 -13.602 -1.209 339 HD3 ARG 65 HD3 ARG 65 2.328 -13.120 0.156 340 HE ARG 65 HE ARG 65 -0.307 -14.181 0.917 341 HH11 ARG 65 HH11 ARG 65 2.989 -15.158 0.243 342 HH12 ARG 65 HH12 ARG 65 2.821 -16.645 1.135 343 HH21 ARG 65 HH21 ARG 65 -0.459 -16.093 2.013 344 HH22 ARG 65 HH22 ARG 65 0.913 -17.158 2.094 345 H MET 66 H MET 66 -0.526 -9.335 1.444 346 HA MET 66 HA MET 66 0.994 -7.390 2.847 347 HB2 MET 66 HB2 MET 66 -1.222 -8.457 3.514 348 HB3 MET 66 HB3 MET 66 -0.314 -9.887 4.008 349 HG2 MET 66 HG2 MET 66 -0.673 -8.627 5.984 350 HG3 MET 66 HG3 MET 66 1.017 -8.390 5.574 351 HE1 MET 66 HE1 MET 66 -2.395 -5.284 5.499 352 HE2 MET 66 HE2 MET 66 -2.526 -6.850 4.671 353 HE3 MET 66 HE3 MET 66 -2.345 -6.793 6.435 354 H GLY 67 H GLY 67 1.574 -10.861 2.372 355 HA2 GLY 67 HA2 GLY 67 3.785 -11.207 4.155 356 HA3 GLY 67 HA3 GLY 67 3.418 -12.217 2.755 357 H GLU 68 H GLU 68 3.728 -10.445 0.638 358 HA GLU 68 HA GLU 68 6.559 -10.357 0.263 359 HB2 GLU 68 HB2 GLU 68 4.291 -9.047 -1.256 360 HB3 GLU 68 HB3 GLU 68 5.977 -8.959 -1.765 361 HG2 GLU 68 HG2 GLU 68 4.427 -11.555 -1.393 362 HG3 GLU 68 HG3 GLU 68 4.651 -10.720 -2.924 363 H CYS 69 H CYS 69 4.304 -7.781 1.234 364 HA CYS 69 HA CYS 69 6.274 -5.690 1.469 365 HB2 CYS 69 HB2 CYS 69 3.913 -5.215 1.455 366 HB3 CYS 69 HB3 CYS 69 3.638 -6.154 2.914 367 H ALA 70 H ALA 70 5.050 -8.021 3.933 368 HA ALA 70 HA ALA 70 6.764 -7.132 6.016 369 HB1 ALA 70 HB1 ALA 70 4.638 -8.348 6.327 370 HB2 ALA 70 HB2 ALA 70 5.360 -9.814 5.624 371 HB3 ALA 70 HB3 ALA 70 5.973 -9.165 7.159 372 H ARG 71 H ARG 71 7.542 -9.360 3.391 373 HA ARG 71 HA ARG 71 9.946 -10.504 4.581 374 HB2 ARG 71 HB2 ARG 71 9.384 -9.916 1.631 375 HB3 ARG 71 HB3 ARG 71 10.713 -10.882 2.269 376 HG2 ARG 71 HG2 ARG 71 8.743 -12.254 3.427 377 HG3 ARG 71 HG3 ARG 71 7.791 -11.539 2.125 378 HD2 ARG 71 HD2 ARG 71 8.493 -13.631 1.298 379 HD3 ARG 71 HD3 ARG 71 9.464 -12.406 0.467 380 HE ARG 71 HE ARG 71 10.772 -13.433 2.863 381 HH11 ARG 71 HH11 ARG 71 10.247 -14.256 -0.488 382 HH12 ARG 71 HH12 ARG 71 11.658 -15.279 -0.560 383 HH21 ARG 71 HH21 ARG 71 12.542 -14.751 2.731 384 HH22 ARG 71 HH22 ARG 71 12.917 -15.552 1.235 385 H ASN 72 H ASN 72 9.269 -7.421 3.327 386 HA ASN 72 HA ASN 72 12.159 -6.647 3.099 387 HB2 ASN 72 HB2 ASN 72 9.631 -5.559 1.786 388 HB3 ASN 72 HB3 ASN 72 11.210 -4.782 1.680 389 HD21 ASN 72 HD21 ASN 72 9.247 -7.455 0.431 390 HD22 ASN 72 HD22 ASN 72 10.528 -8.006 -0.646 391 H CYS 73 H CYS 73 9.060 -5.194 4.221 392 HA CYS 73 HA CYS 73 10.505 -3.199 5.826 393 HB2 CYS 73 HB2 CYS 73 7.748 -3.623 4.870 394 HB3 CYS 73 HB3 CYS 73 7.811 -3.103 6.545 395 HA PRO 74 HA PRO 74 10.910 -5.392 9.489 396 HB2 PRO 74 HB2 PRO 74 10.796 -3.551 11.496 397 HB3 PRO 74 HB3 PRO 74 12.036 -3.512 10.207 398 HG2 PRO 74 HG2 PRO 74 9.438 -1.957 10.336 399 HG3 PRO 74 HG3 PRO 74 11.082 -1.324 10.008 400 HD2 PRO 74 HD2 PRO 74 9.347 -1.924 7.996 401 HD3 PRO 74 HD3 PRO 74 11.102 -2.230 7.832 402 H GLY 75 H GLY 75 7.767 -3.894 9.273 403 HA2 GLY 75 HA2 GLY 75 6.564 -4.862 11.696 404 HA3 GLY 75 HA3 GLY 75 5.720 -4.272 10.267 Start of MODEL 3 1 H1 GLY 19 H1 GLY 19 -4.749 -5.845 26.289 2 H2 GLY 19 H2 GLY 19 -3.808 -6.734 25.283 3 H3 GLY 19 H3 GLY 19 -4.300 -7.361 26.714 4 HA2 GLY 19 HA2 GLY 19 -3.010 -5.764 27.953 5 HA3 GLY 19 HA3 GLY 19 -1.982 -6.702 26.855 6 H ASP 20 H ASP 20 -0.591 -5.501 25.675 7 HA ASP 20 HA ASP 20 -0.658 -2.627 25.537 8 HB2 ASP 20 HB2 ASP 20 0.906 -4.700 23.945 9 HB3 ASP 20 HB3 ASP 20 1.175 -2.960 23.857 10 H LYS 21 H LYS 21 -1.490 -1.262 24.104 11 HA LYS 21 HA LYS 21 -2.455 -2.129 21.421 12 HB2 LYS 21 HB2 LYS 21 -4.105 -0.482 23.392 13 HB3 LYS 21 HB3 LYS 21 -4.515 -0.798 21.704 14 HG2 LYS 21 HG2 LYS 21 -4.626 -3.259 22.226 15 HG3 LYS 21 HG3 LYS 21 -4.287 -2.879 23.915 16 HD2 LYS 21 HD2 LYS 21 -6.629 -3.154 23.817 17 HD3 LYS 21 HD3 LYS 21 -6.336 -1.428 23.972 18 HE2 LYS 21 HE2 LYS 21 -8.085 -1.681 22.382 19 HE3 LYS 21 HE3 LYS 21 -6.656 -1.201 21.469 20 HZ1 LYS 21 HZ1 LYS 21 -7.850 -3.043 20.407 21 HZ2 LYS 21 HZ2 LYS 21 -7.676 -3.988 21.723 22 HZ3 LYS 21 HZ3 LYS 21 -6.365 -3.554 20.846 23 H GLU 22 H GLU 22 -1.821 -0.772 19.884 24 HA GLU 22 HA GLU 22 -1.487 2.099 20.386 25 HB2 GLU 22 HB2 GLU 22 0.771 2.242 19.494 26 HB3 GLU 22 HB3 GLU 22 0.703 1.286 20.952 27 HG2 GLU 22 HG2 GLU 22 2.215 0.140 19.626 28 HG3 GLU 22 HG3 GLU 22 0.752 -0.818 19.513 29 H GLU 23 H GLU 23 -1.058 3.319 18.335 30 HA GLU 23 HA GLU 23 -2.566 2.095 16.050 31 HB2 GLU 23 HB2 GLU 23 -2.599 4.942 17.097 32 HB3 GLU 23 HB3 GLU 23 -3.255 4.422 15.533 33 HG2 GLU 23 HG2 GLU 23 -4.798 2.876 16.642 34 HG3 GLU 23 HG3 GLU 23 -4.159 3.322 18.227 35 H CYS 24 H CYS 24 -1.293 1.671 14.460 36 HA CYS 24 HA CYS 24 1.209 3.203 14.014 37 HB2 CYS 24 HB2 CYS 24 1.160 0.671 14.019 38 HB3 CYS 24 HB3 CYS 24 0.358 0.768 12.442 39 H THR 25 H THR 25 0.707 5.108 13.118 40 HA THR 25 HA THR 25 -0.452 5.148 10.365 41 HB THR 25 HB THR 25 -1.457 7.343 10.860 42 HG1 THR 25 HG1 THR 25 -1.657 7.953 13.047 43 HG21 THR 25 HG21 THR 25 -3.366 6.604 12.161 44 HG22 THR 25 HG22 THR 25 -2.450 5.238 12.828 45 HG23 THR 25 HG23 THR 25 -2.847 5.287 11.095 46 H VAL 26 H VAL 26 0.089 7.341 9.303 47 HA VAL 26 HA VAL 26 2.872 8.222 9.899 48 HB VAL 26 HB VAL 26 3.192 8.359 7.363 49 HG11 VAL 26 HG11 VAL 26 4.340 6.729 8.834 50 HG12 VAL 26 HG12 VAL 26 3.023 5.570 8.549 51 HG13 VAL 26 HG13 VAL 26 4.049 6.121 7.202 52 HG21 VAL 26 HG21 VAL 26 0.989 6.265 7.262 53 HG22 VAL 26 HG22 VAL 26 0.818 7.947 6.703 54 HG23 VAL 26 HG23 VAL 26 1.987 6.874 5.930 55 HA PRO 27 HA PRO 27 1.231 12.279 9.341 56 HB2 PRO 27 HB2 PRO 27 3.374 13.741 8.452 57 HB3 PRO 27 HB3 PRO 27 3.271 13.064 10.104 58 HG2 PRO 27 HG2 PRO 27 4.674 11.860 7.692 59 HG3 PRO 27 HG3 PRO 27 5.340 12.126 9.338 60 HD2 PRO 27 HD2 PRO 27 4.346 9.723 8.606 61 HD3 PRO 27 HD3 PRO 27 4.043 10.364 10.244 62 H ILE 28 H ILE 28 0.603 13.871 7.797 63 HA ILE 28 HA ILE 28 -0.215 12.930 5.266 64 HB ILE 28 HB ILE 28 -1.327 14.686 6.536 65 HG12 ILE 28 HG12 ILE 28 -0.538 15.755 3.796 66 HG13 ILE 28 HG13 ILE 28 -1.616 14.375 4.038 67 HG21 ILE 28 HG21 ILE 28 0.699 15.950 7.311 68 HG22 ILE 28 HG22 ILE 28 0.910 16.573 5.661 69 HG23 ILE 28 HG23 ILE 28 -0.529 16.992 6.606 70 HD11 ILE 28 HD11 ILE 28 -3.170 15.825 5.347 71 HD12 ILE 28 HD12 ILE 28 -2.130 17.225 4.981 72 HD13 ILE 28 HD13 ILE 28 -2.945 16.360 3.670 73 H GLY 29 H GLY 29 2.786 14.473 6.113 74 HA2 GLY 29 HA2 GLY 29 3.577 15.153 3.383 75 HA3 GLY 29 HA3 GLY 29 4.557 15.294 4.837 76 H TRP 30 H TRP 30 3.414 12.086 4.733 77 HA TRP 30 HA TRP 30 6.016 11.011 4.161 78 HB2 TRP 30 HB2 TRP 30 4.267 10.113 5.738 79 HB3 TRP 30 HB3 TRP 30 3.322 9.605 4.340 80 HD1 TRP 30 HD1 TRP 30 4.276 7.582 2.929 81 HE1 TRP 30 HE1 TRP 30 5.999 5.709 3.420 82 HE3 TRP 30 HE3 TRP 30 6.382 9.531 7.156 83 HZ2 TRP 30 HZ2 TRP 30 8.067 5.205 5.352 84 HZ3 TRP 30 HZ3 TRP 30 8.210 8.320 8.331 85 HH2 TRP 30 HH2 TRP 30 9.067 6.168 7.437 86 H SER 31 H SER 31 6.543 9.471 2.508 87 HA SER 31 HA SER 31 5.843 10.264 -0.191 88 HB2 SER 31 HB2 SER 31 7.598 7.997 0.823 89 HB3 SER 31 HB3 SER 31 7.547 8.616 -0.838 90 HG SER 31 HG SER 31 8.296 10.628 -0.062 91 H GLU 32 H GLU 32 3.466 9.573 0.507 92 HA GLU 32 HA GLU 32 2.696 6.806 0.142 93 HB2 GLU 32 HB2 GLU 32 0.391 7.738 -0.044 94 HB3 GLU 32 HB3 GLU 32 1.269 8.275 1.385 95 HG2 GLU 32 HG2 GLU 32 1.683 10.453 0.387 96 HG3 GLU 32 HG3 GLU 32 1.012 9.928 -1.158 97 HA PRO 33 HA PRO 33 2.382 6.578 -4.351 98 HB2 PRO 33 HB2 PRO 33 0.566 4.594 -4.706 99 HB3 PRO 33 HB3 PRO 33 2.156 4.292 -3.955 100 HG2 PRO 33 HG2 PRO 33 -0.483 4.812 -2.531 101 HG3 PRO 33 HG3 PRO 33 0.648 3.445 -2.277 102 HD2 PRO 33 HD2 PRO 33 0.716 5.661 -0.715 103 HD3 PRO 33 HD3 PRO 33 2.222 4.825 -1.191 104 H VAL 34 H VAL 34 0.530 6.481 -6.108 105 HA VAL 34 HA VAL 34 -1.600 8.471 -5.437 106 HB VAL 34 HB VAL 34 0.272 9.377 -6.790 107 HG11 VAL 34 HG11 VAL 34 0.450 8.873 -9.157 108 HG12 VAL 34 HG12 VAL 34 0.714 7.386 -8.231 109 HG13 VAL 34 HG13 VAL 34 -0.842 7.660 -9.048 110 HG21 VAL 34 HG21 VAL 34 -1.973 10.403 -6.791 111 HG22 VAL 34 HG22 VAL 34 -1.125 10.611 -8.330 112 HG23 VAL 34 HG23 VAL 34 -2.421 9.411 -8.201 113 H LYS 35 H LYS 35 -3.608 8.177 -6.146 114 HA LYS 35 HA LYS 35 -4.547 5.529 -6.903 115 HB2 LYS 35 HB2 LYS 35 -5.742 7.292 -5.470 116 HB3 LYS 35 HB3 LYS 35 -6.086 8.162 -6.966 117 HG2 LYS 35 HG2 LYS 35 -7.216 6.023 -7.806 118 HG3 LYS 35 HG3 LYS 35 -6.985 5.348 -6.192 119 HD2 LYS 35 HD2 LYS 35 -8.544 7.900 -6.791 120 HD3 LYS 35 HD3 LYS 35 -9.266 6.291 -6.663 121 HE2 LYS 35 HE2 LYS 35 -8.430 6.085 -4.333 122 HE3 LYS 35 HE3 LYS 35 -7.695 7.689 -4.446 123 HZ1 LYS 35 HZ1 LYS 35 -10.609 7.140 -4.671 124 HZ2 LYS 35 HZ2 LYS 35 -9.924 8.622 -4.768 125 HZ3 LYS 35 HZ3 LYS 35 -9.869 7.786 -3.370 126 H GLY 36 H GLY 36 -5.263 4.795 -8.864 127 HA2 GLY 36 HA2 GLY 36 -4.204 6.105 -11.266 128 HA3 GLY 36 HA3 GLY 36 -4.965 4.530 -11.187 129 H LEU 37 H LEU 37 -7.276 6.245 -9.807 130 HA LEU 37 HA LEU 37 -9.429 6.683 -10.439 131 HB2 LEU 37 HB2 LEU 37 -7.900 8.664 -12.151 132 HB3 LEU 37 HB3 LEU 37 -9.648 8.626 -12.095 133 HG LEU 37 HG LEU 37 -8.863 10.373 -10.714 134 HD11 LEU 37 HD11 LEU 37 -10.906 9.162 -10.006 135 HD12 LEU 37 HD12 LEU 37 -10.046 9.927 -8.662 136 HD13 LEU 37 HD13 LEU 37 -9.925 8.175 -8.899 137 HD21 LEU 37 HD21 LEU 37 -7.550 10.117 -8.714 138 HD22 LEU 37 HD22 LEU 37 -6.641 9.476 -10.094 139 HD23 LEU 37 HD23 LEU 37 -7.429 8.366 -8.954 140 H CYS 38 H CYS 38 -9.500 4.483 -11.192 141 HA CYS 38 HA CYS 38 -10.221 4.257 -14.092 142 HB2 CYS 38 HB2 CYS 38 -9.215 2.045 -12.295 143 HB3 CYS 38 HB3 CYS 38 -9.428 1.983 -14.034 144 H LYS 39 H LYS 39 -11.682 2.271 -14.424 145 HA LYS 39 HA LYS 39 -14.089 2.545 -12.740 146 HB2 LYS 39 HB2 LYS 39 -13.663 0.880 -15.249 147 HB3 LYS 39 HB3 LYS 39 -15.203 1.296 -14.503 148 HG2 LYS 39 HG2 LYS 39 -13.291 3.192 -15.918 149 HG3 LYS 39 HG3 LYS 39 -14.882 2.658 -16.448 150 HD2 LYS 39 HD2 LYS 39 -15.887 3.840 -14.435 151 HD3 LYS 39 HD3 LYS 39 -14.270 4.437 -14.048 152 HE2 LYS 39 HE2 LYS 39 -15.280 6.215 -15.184 153 HE3 LYS 39 HE3 LYS 39 -14.173 5.489 -16.351 154 HZ1 LYS 39 HZ1 LYS 39 -16.105 4.351 -17.345 155 HZ2 LYS 39 HZ2 LYS 39 -16.347 5.962 -17.335 156 HZ3 LYS 39 HZ3 LYS 39 -17.112 5.023 -16.245 157 H ALA 40 H ALA 40 -11.498 0.746 -12.145 158 HA ALA 40 HA ALA 40 -13.031 -1.508 -10.922 159 HB1 ALA 40 HB1 ALA 40 -11.161 -3.008 -11.504 160 HB2 ALA 40 HB2 ALA 40 -11.854 -2.276 -12.962 161 HB3 ALA 40 HB3 ALA 40 -10.316 -1.669 -12.306 162 H ARG 41 H ARG 41 -11.903 -2.563 -9.149 163 HA ARG 41 HA ARG 41 -10.131 -0.785 -7.499 164 HB2 ARG 41 HB2 ARG 41 -12.561 -2.290 -6.472 165 HB3 ARG 41 HB3 ARG 41 -11.409 -1.344 -5.520 166 HG2 ARG 41 HG2 ARG 41 -12.133 0.701 -6.840 167 HG3 ARG 41 HG3 ARG 41 -13.381 -0.321 -7.592 168 HD2 ARG 41 HD2 ARG 41 -14.098 -0.936 -5.189 169 HD3 ARG 41 HD3 ARG 41 -13.052 0.393 -4.655 170 HE ARG 41 HE ARG 41 -15.018 1.060 -6.739 171 HH11 ARG 41 HH11 ARG 41 -14.537 1.004 -3.274 172 HH12 ARG 41 HH12 ARG 41 -15.867 2.088 -2.972 173 HH21 ARG 41 HH21 ARG 41 -16.715 2.430 -6.293 174 HH22 ARG 41 HH22 ARG 41 -17.068 2.864 -4.647 175 H PHE 42 H PHE 42 -8.387 -2.031 -8.110 176 HA PHE 42 HA PHE 42 -8.082 -4.844 -7.373 177 HB2 PHE 42 HB2 PHE 42 -5.879 -2.802 -7.785 178 HB3 PHE 42 HB3 PHE 42 -5.765 -4.547 -7.961 179 HD1 PHE 42 HD1 PHE 42 -7.975 -5.325 -9.706 180 HD2 PHE 42 HD2 PHE 42 -5.465 -1.818 -9.836 181 HE1 PHE 42 HE1 PHE 42 -8.453 -5.076 -12.123 182 HE2 PHE 42 HE2 PHE 42 -5.956 -1.567 -12.267 183 HZ PHE 42 HZ PHE 42 -7.453 -3.194 -13.404 184 H THR 43 H THR 43 -6.125 -5.389 -5.888 185 HA THR 43 HA THR 43 -6.150 -3.769 -3.366 186 HB THR 43 HB THR 43 -5.996 -6.800 -3.377 187 HG1 THR 43 HG1 THR 43 -8.031 -6.219 -4.172 188 HG21 THR 43 HG21 THR 43 -6.663 -6.513 -1.023 189 HG22 THR 43 HG22 THR 43 -6.727 -4.752 -1.243 190 HG23 THR 43 HG23 THR 43 -5.173 -5.618 -1.358 191 H ARG 44 H ARG 44 -4.166 -2.994 -3.051 192 HA ARG 44 HA ARG 44 -1.736 -4.724 -3.491 193 HB2 ARG 44 HB2 ARG 44 -2.059 -1.711 -3.857 194 HB3 ARG 44 HB3 ARG 44 -0.498 -2.518 -3.784 195 HG2 ARG 44 HG2 ARG 44 -2.589 -2.903 -5.949 196 HG3 ARG 44 HG3 ARG 44 -1.111 -1.961 -6.045 197 HD2 ARG 44 HD2 ARG 44 -0.540 -3.934 -7.138 198 HD3 ARG 44 HD3 ARG 44 0.187 -4.125 -5.539 199 HE ARG 44 HE ARG 44 -2.366 -5.303 -5.397 200 HH11 ARG 44 HH11 ARG 44 0.490 -6.009 -7.294 201 HH12 ARG 44 HH12 ARG 44 0.088 -7.705 -7.374 202 HH21 ARG 44 HH21 ARG 44 -2.741 -7.363 -5.422 203 HH22 ARG 44 HH22 ARG 44 -1.695 -8.481 -6.269 204 H TYR 45 H TYR 45 0.051 -4.181 -2.111 205 HA TYR 45 HA TYR 45 -0.729 -3.016 0.529 206 HB2 TYR 45 HB2 TYR 45 0.944 -5.505 0.045 207 HB3 TYR 45 HB3 TYR 45 0.571 -4.788 1.607 208 HD1 TYR 45 HD2 TYR 45 -1.752 -4.892 2.533 209 HD2 TYR 45 HD1 TYR 45 -0.741 -6.803 -1.206 210 HE1 TYR 45 HE2 TYR 45 -3.851 -6.246 2.636 211 HE2 TYR 45 HE1 TYR 45 -2.832 -8.127 -1.099 212 HH TYR 45 HH TYR 45 -4.709 -8.629 0.117 213 H TYR 46 H TYR 46 0.683 -1.576 1.371 214 HA TYR 46 HA TYR 46 3.371 -1.221 0.088 215 HB2 TYR 46 HB2 TYR 46 1.244 0.876 0.699 216 HB3 TYR 46 HB3 TYR 46 2.916 1.268 0.384 217 HD1 TYR 46 HD1 TYR 46 -0.155 -0.187 -1.194 218 HD2 TYR 46 HD2 TYR 46 3.773 1.484 -1.820 219 HE1 TYR 46 HE1 TYR 46 -0.674 0.152 -3.626 220 HE2 TYR 46 HE2 TYR 46 3.249 1.806 -4.232 221 HH TYR 46 HH TYR 46 1.603 1.809 -5.808 222 H CYS 47 H CYS 47 5.025 -0.670 1.489 223 HA CYS 47 HA CYS 47 4.492 -0.852 4.382 224 HB2 CYS 47 HB2 CYS 47 6.458 -1.989 3.396 225 HB3 CYS 47 HB3 CYS 47 7.111 -0.418 2.924 226 H MET 48 H MET 48 3.737 0.898 5.401 227 HA MET 48 HA MET 48 4.708 3.628 4.681 228 HB2 MET 48 HB2 MET 48 2.523 2.848 6.633 229 HB3 MET 48 HB3 MET 48 2.914 4.458 6.022 230 HG2 MET 48 HG2 MET 48 1.761 2.118 4.478 231 HG3 MET 48 HG3 MET 48 0.948 3.614 4.887 232 HE1 MET 48 HE1 MET 48 2.755 6.000 4.032 233 HE2 MET 48 HE2 MET 48 2.280 6.192 2.332 234 HE3 MET 48 HE3 MET 48 1.054 5.803 3.553 235 H GLY 49 H GLY 49 6.843 2.847 5.354 236 HA2 GLY 49 HA2 GLY 49 8.617 3.409 6.769 237 HA3 GLY 49 HA3 GLY 49 7.489 3.765 8.072 238 H ASN 50 H ASN 50 6.497 1.878 9.141 239 HA ASN 50 HA ASN 50 8.158 -0.610 9.156 240 HB2 ASN 50 HB2 ASN 50 8.361 -0.557 11.521 241 HB3 ASN 50 HB3 ASN 50 8.895 1.012 10.927 242 HD21 ASN 50 HD21 ASN 50 7.630 -0.034 13.596 243 HD22 ASN 50 HD22 ASN 50 6.369 1.165 13.858 244 H CYS 51 H CYS 51 5.185 0.407 8.511 245 HA CYS 51 HA CYS 51 3.848 -2.087 9.447 246 HB2 CYS 51 HB2 CYS 51 2.775 0.748 9.594 247 HB3 CYS 51 HB3 CYS 51 1.793 -0.697 9.833 248 H CYS 52 H CYS 52 3.300 -3.182 7.690 249 HA CYS 52 HA CYS 52 2.835 -2.056 5.061 250 HB2 CYS 52 HB2 CYS 52 2.205 -4.761 6.281 251 HB3 CYS 52 HB3 CYS 52 2.053 -4.372 4.566 252 H LYS 53 H LYS 53 1.010 -1.301 4.181 253 HA LYS 53 HA LYS 53 -1.643 -1.674 5.527 254 HB2 LYS 53 HB2 LYS 53 -0.562 0.588 5.989 255 HB3 LYS 53 HB3 LYS 53 -0.638 0.906 4.250 256 HG2 LYS 53 HG2 LYS 53 -3.150 0.511 4.393 257 HG3 LYS 53 HG3 LYS 53 -2.977 0.402 6.148 258 HD2 LYS 53 HD2 LYS 53 -2.107 2.721 6.193 259 HD3 LYS 53 HD3 LYS 53 -2.242 2.828 4.430 260 HE2 LYS 53 HE2 LYS 53 -4.568 2.298 6.340 261 HE3 LYS 53 HE3 LYS 53 -4.153 3.887 5.694 262 HZ1 LYS 53 HZ1 LYS 53 -5.909 2.805 4.393 263 HZ2 LYS 53 HZ2 LYS 53 -4.925 1.560 4.002 264 HZ3 LYS 53 HZ3 LYS 53 -4.593 3.060 3.461 265 H VAL 54 H VAL 54 -3.365 -1.971 4.207 266 HA VAL 54 HA VAL 54 -2.935 -2.655 1.405 267 HB VAL 54 HB VAL 54 -4.485 -3.864 2.933 268 HG11 VAL 54 HG11 VAL 54 -5.591 -1.904 4.015 269 HG12 VAL 54 HG12 VAL 54 -6.415 -1.561 2.471 270 HG13 VAL 54 HG13 VAL 54 -6.728 -3.078 3.331 271 HG21 VAL 54 HG21 VAL 54 -4.600 -4.123 0.490 272 HG22 VAL 54 HG22 VAL 54 -6.173 -4.326 1.270 273 HG23 VAL 54 HG23 VAL 54 -5.810 -2.821 0.404 274 H TYR 55 H TYR 55 -3.694 -1.645 -0.396 275 HA TYR 55 HA TYR 55 -5.068 0.991 -0.249 276 HB2 TYR 55 HB2 TYR 55 -2.475 0.353 -1.680 277 HB3 TYR 55 HB3 TYR 55 -3.568 1.568 -2.308 278 HD1 TYR 55 HD2 TYR 55 -1.405 0.730 0.624 279 HD2 TYR 55 HD1 TYR 55 -3.835 3.722 -1.318 280 HE1 TYR 55 HE2 TYR 55 -0.479 2.482 2.145 281 HE2 TYR 55 HE1 TYR 55 -2.924 5.457 0.208 282 HH TYR 55 HH TYR 55 -1.559 5.893 1.978 283 H GLU 56 H GLU 56 -6.536 1.340 -1.844 284 HA GLU 56 HA GLU 56 -7.049 -0.747 -3.901 285 HB2 GLU 56 HB2 GLU 56 -9.127 0.251 -1.914 286 HB3 GLU 56 HB3 GLU 56 -9.379 -0.909 -3.219 287 HG2 GLU 56 HG2 GLU 56 -7.844 -2.508 -2.068 288 HG3 GLU 56 HG3 GLU 56 -7.650 -1.353 -0.748 289 H GLY 57 H GLY 57 -7.329 0.254 -5.809 290 HA2 GLY 57 HA2 GLY 57 -9.011 2.110 -6.785 291 HA3 GLY 57 HA3 GLY 57 -7.953 3.177 -5.877 292 H CYS 58 H CYS 58 -7.563 0.479 -8.209 293 HA CYS 58 HA CYS 58 -6.189 0.172 -9.997 294 HB2 CYS 58 HB2 CYS 58 -7.883 1.973 -10.571 295 HB3 CYS 58 HB3 CYS 58 -6.544 3.106 -10.517 296 H TYR 59 H TYR 59 -4.710 0.686 -7.587 297 HA TYR 59 HA TYR 59 -2.560 2.558 -8.012 298 HB2 TYR 59 HB2 TYR 59 -3.073 0.367 -5.979 299 HB3 TYR 59 HB3 TYR 59 -1.549 1.225 -6.024 300 HD1 TYR 59 HD1 TYR 59 -5.149 1.589 -5.346 301 HD2 TYR 59 HD2 TYR 59 -1.329 3.545 -5.395 302 HE1 TYR 59 HE1 TYR 59 -6.137 3.546 -4.121 303 HE2 TYR 59 HE2 TYR 59 -2.282 5.455 -4.099 304 HH TYR 59 HH TYR 59 -4.155 6.350 -3.136 305 H THR 60 H THR 60 -2.568 -0.963 -8.077 306 HA THR 60 HA THR 60 -1.160 -2.588 -8.739 307 HB THR 60 HB THR 60 -0.588 -2.637 -11.086 308 HG1 THR 60 HG1 THR 60 0.020 -0.506 -11.470 309 HG21 THR 60 HG21 THR 60 -2.925 -3.056 -10.309 310 HG22 THR 60 HG22 THR 60 -2.820 -2.434 -11.964 311 HG23 THR 60 HG23 THR 60 -3.303 -1.349 -10.650 312 H GLY 61 H GLY 61 0.474 0.027 -7.736 313 HA2 GLY 61 HA2 GLY 61 3.161 -0.750 -8.696 314 HA3 GLY 61 HA3 GLY 61 2.719 0.692 -7.798 315 H GLY 62 H GLY 62 1.352 -1.589 -5.967 316 HA2 GLY 62 HA2 GLY 62 3.574 -1.595 -4.013 317 HA3 GLY 62 HA3 GLY 62 1.889 -1.978 -3.697 318 H TYR 63 H TYR 63 3.276 -3.572 -2.429 319 HA TYR 63 HA TYR 63 4.308 -5.978 -3.658 320 HB2 TYR 63 HB2 TYR 63 3.273 -5.323 -0.868 321 HB3 TYR 63 HB3 TYR 63 3.958 -6.878 -1.314 322 HD1 TYR 63 HD2 TYR 63 6.358 -7.043 -2.076 323 HD2 TYR 63 HD1 TYR 63 4.702 -3.440 -0.369 324 HE1 TYR 63 HE2 TYR 63 8.659 -6.170 -1.656 325 HE2 TYR 63 HE1 TYR 63 7.002 -2.589 0.069 326 HH TYR 63 HH TYR 63 9.243 -2.958 -0.194 327 H SER 64 H SER 64 3.337 -7.947 -3.920 328 HA SER 64 HA SER 64 0.625 -7.920 -4.814 329 HB2 SER 64 HB2 SER 64 2.534 -9.338 -5.691 330 HB3 SER 64 HB3 SER 64 2.293 -10.400 -4.287 331 HG SER 64 HG SER 64 1.107 -11.080 -6.154 332 H ARG 65 H ARG 65 2.066 -9.132 -1.830 333 HA ARG 65 HA ARG 65 -0.618 -9.375 -0.575 334 HB2 ARG 65 HB2 ARG 65 1.610 -11.433 -0.241 335 HB3 ARG 65 HB3 ARG 65 0.038 -11.426 0.557 336 HG2 ARG 65 HG2 ARG 65 -1.030 -11.616 -1.761 337 HG3 ARG 65 HG3 ARG 65 0.608 -11.889 -2.391 338 HD2 ARG 65 HD2 ARG 65 0.813 -13.792 -0.695 339 HD3 ARG 65 HD3 ARG 65 -0.919 -13.576 -0.377 340 HE ARG 65 HE ARG 65 -0.209 -13.945 -3.212 341 HH11 ARG 65 HH11 ARG 65 -1.164 -15.680 -0.327 342 HH12 ARG 65 HH12 ARG 65 -1.615 -17.105 -1.225 343 HH21 ARG 65 HH21 ARG 65 -0.765 -15.792 -4.294 344 HH22 ARG 65 HH22 ARG 65 -1.385 -17.156 -3.415 345 H MET 66 H MET 66 -0.540 -9.273 1.742 346 HA MET 66 HA MET 66 1.091 -7.257 2.882 347 HB2 MET 66 HB2 MET 66 -1.174 -8.212 3.677 348 HB3 MET 66 HB3 MET 66 -0.245 -9.508 4.432 349 HG2 MET 66 HG2 MET 66 -0.561 -7.945 6.156 350 HG3 MET 66 HG3 MET 66 1.085 -7.640 5.621 351 HE1 MET 66 HE1 MET 66 -2.632 -6.606 4.672 352 HE2 MET 66 HE2 MET 66 -2.377 -6.185 6.378 353 HE3 MET 66 HE3 MET 66 -2.607 -4.900 5.172 354 H GLY 67 H GLY 67 1.516 -10.790 2.886 355 HA2 GLY 67 HA2 GLY 67 3.699 -11.045 4.665 356 HA3 GLY 67 HA3 GLY 67 3.324 -12.152 3.345 357 H GLU 68 H GLU 68 3.772 -10.475 1.118 358 HA GLU 68 HA GLU 68 6.625 -10.651 0.790 359 HB2 GLU 68 HB2 GLU 68 4.543 -9.142 -0.842 360 HB3 GLU 68 HB3 GLU 68 6.208 -9.422 -1.343 361 HG2 GLU 68 HG2 GLU 68 4.131 -11.594 -0.831 362 HG3 GLU 68 HG3 GLU 68 4.603 -10.964 -2.403 363 H CYS 69 H CYS 69 4.504 -7.900 1.446 364 HA CYS 69 HA CYS 69 6.470 -5.817 1.538 365 HB2 CYS 69 HB2 CYS 69 4.105 -5.379 1.410 366 HB3 CYS 69 HB3 CYS 69 3.790 -6.209 2.923 367 H ALA 70 H ALA 70 5.225 -7.968 4.136 368 HA ALA 70 HA ALA 70 6.918 -6.976 6.198 369 HB1 ALA 70 HB1 ALA 70 4.782 -8.166 6.551 370 HB2 ALA 70 HB2 ALA 70 5.521 -9.671 5.957 371 HB3 ALA 70 HB3 ALA 70 6.113 -8.917 7.448 372 H ARG 71 H ARG 71 7.808 -9.131 3.606 373 HA ARG 71 HA ARG 71 10.151 -10.294 4.968 374 HB2 ARG 71 HB2 ARG 71 9.775 -9.921 1.962 375 HB3 ARG 71 HB3 ARG 71 10.941 -10.953 2.788 376 HG2 ARG 71 HG2 ARG 71 8.865 -12.155 3.808 377 HG3 ARG 71 HG3 ARG 71 7.952 -11.287 2.570 378 HD2 ARG 71 HD2 ARG 71 8.381 -13.383 1.599 379 HD3 ARG 71 HD3 ARG 71 9.497 -12.266 0.824 380 HE ARG 71 HE ARG 71 11.297 -13.405 1.774 381 HH11 ARG 71 HH11 ARG 71 8.419 -14.545 3.399 382 HH12 ARG 71 HH12 ARG 71 9.272 -15.822 4.222 383 HH21 ARG 71 HH21 ARG 71 12.332 -15.042 2.849 384 HH22 ARG 71 HH22 ARG 71 11.434 -16.089 3.906 385 H ASN 72 H ASN 72 9.548 -7.482 3.002 386 HA ASN 72 HA ASN 72 12.382 -6.689 2.818 387 HB2 ASN 72 HB2 ASN 72 9.774 -5.521 1.744 388 HB3 ASN 72 HB3 ASN 72 11.345 -4.747 1.534 389 HD21 ASN 72 HD21 ASN 72 9.387 -7.612 0.569 390 HD22 ASN 72 HD22 ASN 72 10.539 -8.056 -0.685 391 H CYS 73 H CYS 73 9.425 -5.250 4.270 392 HA CYS 73 HA CYS 73 10.995 -3.249 5.744 393 HB2 CYS 73 HB2 CYS 73 8.132 -3.806 5.173 394 HB3 CYS 73 HB3 CYS 73 8.444 -3.163 6.778 395 HA PRO 74 HA PRO 74 11.747 -5.433 9.435 396 HB2 PRO 74 HB2 PRO 74 11.512 -3.620 11.459 397 HB3 PRO 74 HB3 PRO 74 12.734 -3.476 10.160 398 HG2 PRO 74 HG2 PRO 74 10.014 -2.132 10.296 399 HG3 PRO 74 HG3 PRO 74 11.608 -1.362 10.001 400 HD2 PRO 74 HD2 PRO 74 9.977 -2.049 7.956 401 HD3 PRO 74 HD3 PRO 74 11.746 -2.269 7.820 402 H GLY 75 H GLY 75 8.523 -4.411 8.997 403 HA2 GLY 75 HA2 GLY 75 7.358 -6.543 10.530 404 HA3 GLY 75 HA3 GLY 75 7.078 -4.971 11.302 Start of MODEL 4 1 H1 GLY 19 H1 GLY 19 -10.096 6.753 28.144 2 H2 GLY 19 H2 GLY 19 -8.524 7.182 28.320 3 H3 GLY 19 H3 GLY 19 -9.440 7.896 27.167 4 HA2 GLY 19 HA2 GLY 19 -8.670 5.052 27.219 5 HA3 GLY 19 HA3 GLY 19 -9.681 5.814 25.976 6 H ASP 20 H ASP 20 -7.148 4.433 25.623 7 HA ASP 20 HA ASP 20 -5.657 6.508 24.139 8 HB2 ASP 20 HB2 ASP 20 -3.525 5.892 25.039 9 HB3 ASP 20 HB3 ASP 20 -4.569 6.347 26.374 10 H LYS 21 H LYS 21 -3.932 5.490 22.761 11 HA LYS 21 HA LYS 21 -4.307 2.707 21.926 12 HB2 LYS 21 HB2 LYS 21 -4.845 3.215 19.600 13 HB3 LYS 21 HB3 LYS 21 -6.084 3.849 20.674 14 HG2 LYS 21 HG2 LYS 21 -5.093 6.145 20.458 15 HG3 LYS 21 HG3 LYS 21 -3.840 5.483 19.400 16 HD2 LYS 21 HD2 LYS 21 -5.466 6.480 17.990 17 HD3 LYS 21 HD3 LYS 21 -5.634 4.727 17.821 18 HE2 LYS 21 HE2 LYS 21 -7.577 4.759 19.365 19 HE3 LYS 21 HE3 LYS 21 -7.390 6.506 19.574 20 HZ1 LYS 21 HZ1 LYS 21 -7.851 6.783 17.208 21 HZ2 LYS 21 HZ2 LYS 21 -9.077 5.951 17.891 22 HZ3 LYS 21 HZ3 LYS 21 -7.962 5.173 16.979 23 H GLU 22 H GLU 22 -2.836 2.131 20.143 24 HA GLU 22 HA GLU 22 -0.251 3.633 20.103 25 HB2 GLU 22 HB2 GLU 22 0.971 1.612 20.730 26 HB3 GLU 22 HB3 GLU 22 -0.140 2.128 21.990 27 HG2 GLU 22 HG2 GLU 22 -1.731 0.360 21.405 28 HG3 GLU 22 HG3 GLU 22 -0.766 -0.098 20.001 29 H GLU 23 H GLU 23 -2.435 2.854 18.033 30 HA GLU 23 HA GLU 23 -1.369 0.900 16.279 31 HB2 GLU 23 HB2 GLU 23 -3.010 1.617 14.699 32 HB3 GLU 23 HB3 GLU 23 -3.726 1.576 16.310 33 HG2 GLU 23 HG2 GLU 23 -3.509 4.048 16.470 34 HG3 GLU 23 HG3 GLU 23 -2.808 4.095 14.851 35 H CYS 24 H CYS 24 -0.604 1.075 14.163 36 HA CYS 24 HA CYS 24 1.677 2.796 13.762 37 HB2 CYS 24 HB2 CYS 24 1.481 0.470 12.908 38 HB3 CYS 24 HB3 CYS 24 0.180 0.988 11.834 39 H THR 25 H THR 25 1.721 4.821 12.982 40 HA THR 25 HA THR 25 -0.109 5.678 10.821 41 HB THR 25 HB THR 25 -0.403 7.924 11.873 42 HG1 THR 25 HG1 THR 25 0.381 6.599 14.252 43 HG21 THR 25 HG21 THR 25 -1.626 5.690 13.533 44 HG22 THR 25 HG22 THR 25 -2.234 6.262 11.964 45 HG23 THR 25 HG23 THR 25 -2.223 7.353 13.361 46 H VAL 26 H VAL 26 0.606 7.689 9.792 47 HA VAL 26 HA VAL 26 3.467 8.404 10.019 48 HB VAL 26 HB VAL 26 3.634 8.376 7.496 49 HG11 VAL 26 HG11 VAL 26 3.264 5.627 8.725 50 HG12 VAL 26 HG12 VAL 26 4.246 6.060 7.311 51 HG13 VAL 26 HG13 VAL 26 4.706 6.650 8.912 52 HG21 VAL 26 HG21 VAL 26 1.209 6.541 7.592 53 HG22 VAL 26 HG22 VAL 26 1.226 8.196 6.934 54 HG23 VAL 26 HG23 VAL 26 2.213 6.937 6.190 55 HA PRO 27 HA PRO 27 1.768 12.452 9.369 56 HB2 PRO 27 HB2 PRO 27 3.809 13.873 8.217 57 HB3 PRO 27 HB3 PRO 27 3.863 13.281 9.903 58 HG2 PRO 27 HG2 PRO 27 5.045 11.958 7.436 59 HG3 PRO 27 HG3 PRO 27 5.861 12.314 8.995 60 HD2 PRO 27 HD2 PRO 27 4.826 9.871 8.490 61 HD3 PRO 27 HD3 PRO 27 4.670 10.597 10.112 62 H ILE 28 H ILE 28 1.049 14.004 7.788 63 HA ILE 28 HA ILE 28 -0.005 12.961 5.385 64 HB ILE 28 HB ILE 28 -0.943 14.840 6.629 65 HG12 ILE 28 HG12 ILE 28 -0.330 15.700 3.773 66 HG13 ILE 28 HG13 ILE 28 -1.447 14.395 4.187 67 HG21 ILE 28 HG21 ILE 28 1.286 16.572 5.461 68 HG22 ILE 28 HG22 ILE 28 -0.050 17.105 6.495 69 HG23 ILE 28 HG23 ILE 28 1.194 16.054 7.158 70 HD11 ILE 28 HD11 ILE 28 -2.822 16.003 5.513 71 HD12 ILE 28 HD12 ILE 28 -1.752 17.322 4.975 72 HD13 ILE 28 HD13 ILE 28 -2.708 16.418 3.791 73 H GLY 29 H GLY 29 3.096 14.445 5.916 74 HA2 GLY 29 HA2 GLY 29 3.716 14.879 3.088 75 HA3 GLY 29 HA3 GLY 29 4.786 15.138 4.459 76 H TRP 30 H TRP 30 3.558 11.947 4.675 77 HA TRP 30 HA TRP 30 6.094 10.744 4.064 78 HB2 TRP 30 HB2 TRP 30 4.415 9.937 5.729 79 HB3 TRP 30 HB3 TRP 30 3.352 9.468 4.406 80 HD1 TRP 30 HD1 TRP 30 4.059 7.359 2.986 81 HE1 TRP 30 HE1 TRP 30 5.742 5.424 3.338 82 HE3 TRP 30 HE3 TRP 30 6.650 9.272 6.949 83 HZ2 TRP 30 HZ2 TRP 30 7.972 4.851 5.069 84 HZ3 TRP 30 HZ3 TRP 30 8.550 8.010 7.946 85 HH2 TRP 30 HH2 TRP 30 9.226 5.814 7.007 86 H SER 31 H SER 31 6.505 9.111 2.473 87 HA SER 31 HA SER 31 5.788 9.788 -0.245 88 HB2 SER 31 HB2 SER 31 7.385 7.446 0.859 89 HB3 SER 31 HB3 SER 31 7.354 7.992 -0.828 90 HG SER 31 HG SER 31 8.262 9.981 -0.139 91 H GLU 32 H GLU 32 3.382 9.321 0.544 92 HA GLU 32 HA GLU 32 2.373 6.622 0.324 93 HB2 GLU 32 HB2 GLU 32 0.170 7.706 0.083 94 HB3 GLU 32 HB3 GLU 32 1.095 8.339 1.439 95 HG2 GLU 32 HG2 GLU 32 1.647 10.366 0.158 96 HG3 GLU 32 HG3 GLU 32 0.865 9.704 -1.278 97 HA PRO 33 HA PRO 33 2.265 6.069 -4.112 98 HB2 PRO 33 HB2 PRO 33 0.215 4.304 -4.466 99 HB3 PRO 33 HB3 PRO 33 1.728 3.890 -3.613 100 HG2 PRO 33 HG2 PRO 33 -0.903 4.787 -2.383 101 HG3 PRO 33 HG3 PRO 33 0.054 3.328 -1.970 102 HD2 PRO 33 HD2 PRO 33 0.294 5.622 -0.552 103 HD3 PRO 33 HD3 PRO 33 1.723 4.609 -0.898 104 H VAL 34 H VAL 34 0.666 6.049 -6.014 105 HA VAL 34 HA VAL 34 -1.446 8.141 -5.739 106 HB VAL 34 HB VAL 34 0.601 8.984 -6.842 107 HG11 VAL 34 HG11 VAL 34 1.259 6.932 -8.095 108 HG12 VAL 34 HG12 VAL 34 -0.156 7.143 -9.150 109 HG13 VAL 34 HG13 VAL 34 1.134 8.362 -9.132 110 HG21 VAL 34 HG21 VAL 34 -1.843 8.934 -8.652 111 HG22 VAL 34 HG22 VAL 34 -1.618 9.996 -7.241 112 HG23 VAL 34 HG23 VAL 34 -0.542 10.136 -8.638 113 H LYS 35 H LYS 35 -3.331 7.825 -6.742 114 HA LYS 35 HA LYS 35 -4.051 5.083 -7.543 115 HB2 LYS 35 HB2 LYS 35 -5.363 6.740 -6.023 116 HB3 LYS 35 HB3 LYS 35 -5.837 7.546 -7.512 117 HG2 LYS 35 HG2 LYS 35 -6.722 5.232 -8.281 118 HG3 LYS 35 HG3 LYS 35 -6.445 4.685 -6.634 119 HD2 LYS 35 HD2 LYS 35 -8.252 6.998 -7.479 120 HD3 LYS 35 HD3 LYS 35 -8.795 5.373 -7.043 121 HE2 LYS 35 HE2 LYS 35 -7.874 5.663 -4.752 122 HE3 LYS 35 HE3 LYS 35 -7.306 7.280 -5.176 123 HZ1 LYS 35 HZ1 LYS 35 -9.621 7.939 -5.548 124 HZ2 LYS 35 HZ2 LYS 35 -9.436 7.377 -4.029 125 HZ3 LYS 35 HZ3 LYS 35 -10.158 6.445 -5.156 126 H GLY 36 H GLY 36 -4.650 4.437 -9.551 127 HA2 GLY 36 HA2 GLY 36 -4.056 6.054 -11.921 128 HA3 GLY 36 HA3 GLY 36 -4.617 4.391 -11.889 129 H LEU 37 H LEU 37 -6.896 5.856 -10.094 130 HA LEU 37 HA LEU 37 -9.126 6.245 -10.388 131 HB2 LEU 37 HB2 LEU 37 -7.949 8.169 -12.421 132 HB3 LEU 37 HB3 LEU 37 -9.663 8.084 -12.067 133 HG LEU 37 HG LEU 37 -9.089 8.447 -9.597 134 HD11 LEU 37 HD11 LEU 37 -7.046 9.815 -9.205 135 HD12 LEU 37 HD12 LEU 37 -6.493 9.452 -10.855 136 HD13 LEU 37 HD13 LEU 37 -6.644 8.160 -9.650 137 HD21 LEU 37 HD21 LEU 37 -8.598 10.617 -11.667 138 HD22 LEU 37 HD22 LEU 37 -9.042 10.886 -9.961 139 HD23 LEU 37 HD23 LEU 37 -10.179 10.079 -11.053 140 H CYS 38 H CYS 38 -8.083 4.022 -11.842 141 HA CYS 38 HA CYS 38 -9.365 3.639 -14.374 142 HB2 CYS 38 HB2 CYS 38 -8.628 1.389 -12.499 143 HB3 CYS 38 HB3 CYS 38 -8.558 1.407 -14.254 144 H LYS 39 H LYS 39 -10.871 1.752 -14.787 145 HA LYS 39 HA LYS 39 -13.421 2.168 -13.436 146 HB2 LYS 39 HB2 LYS 39 -12.669 0.176 -15.613 147 HB3 LYS 39 HB3 LYS 39 -14.300 0.653 -15.164 148 HG2 LYS 39 HG2 LYS 39 -12.184 2.431 -16.450 149 HG3 LYS 39 HG3 LYS 39 -13.584 1.744 -17.240 150 HD2 LYS 39 HD2 LYS 39 -13.671 3.798 -14.982 151 HD3 LYS 39 HD3 LYS 39 -13.830 4.168 -16.687 152 HE2 LYS 39 HE2 LYS 39 -15.743 2.341 -15.162 153 HE3 LYS 39 HE3 LYS 39 -15.993 4.072 -15.390 154 HZ1 LYS 39 HZ1 LYS 39 -16.006 3.707 -17.796 155 HZ2 LYS 39 HZ2 LYS 39 -17.168 2.815 -17.084 156 HZ3 LYS 39 HZ3 LYS 39 -15.799 2.097 -17.603 157 H ALA 40 H ALA 40 -10.954 0.265 -12.412 158 HA ALA 40 HA ALA 40 -12.755 -1.661 -11.011 159 HB1 ALA 40 HB1 ALA 40 -11.059 -3.416 -11.350 160 HB2 ALA 40 HB2 ALA 40 -11.617 -2.783 -12.908 161 HB3 ALA 40 HB3 ALA 40 -10.040 -2.280 -12.257 162 H ARG 41 H ARG 41 -11.694 -2.687 -9.137 163 HA ARG 41 HA ARG 41 -9.875 -0.870 -7.593 164 HB2 ARG 41 HB2 ARG 41 -12.360 -2.276 -6.531 165 HB3 ARG 41 HB3 ARG 41 -11.200 -1.338 -5.581 166 HG2 ARG 41 HG2 ARG 41 -11.818 0.688 -6.946 167 HG3 ARG 41 HG3 ARG 41 -13.063 -0.302 -7.744 168 HD2 ARG 41 HD2 ARG 41 -13.963 -0.857 -5.422 169 HD3 ARG 41 HD3 ARG 41 -12.844 0.367 -4.780 170 HE ARG 41 HE ARG 41 -14.472 1.376 -6.947 171 HH11 ARG 41 HH11 ARG 41 -14.675 0.734 -3.515 172 HH12 ARG 41 HH12 ARG 41 -15.975 1.868 -3.273 173 HH21 ARG 41 HH21 ARG 41 -16.141 2.816 -6.581 174 HH22 ARG 41 HH22 ARG 41 -16.782 3.010 -4.977 175 H PHE 42 H PHE 42 -8.029 -1.969 -7.545 176 HA PHE 42 HA PHE 42 -7.921 -4.865 -6.932 177 HB2 PHE 42 HB2 PHE 42 -5.626 -2.921 -7.311 178 HB3 PHE 42 HB3 PHE 42 -5.579 -4.674 -7.425 179 HD1 PHE 42 HD2 PHE 42 -7.776 -5.390 -9.233 180 HD2 PHE 42 HD1 PHE 42 -5.070 -2.029 -9.408 181 HE1 PHE 42 HE2 PHE 42 -8.181 -5.186 -11.668 182 HE2 PHE 42 HE1 PHE 42 -5.482 -1.834 -11.846 183 HZ PHE 42 HZ PHE 42 -7.044 -3.403 -12.976 184 H THR 43 H THR 43 -6.096 -5.386 -5.280 185 HA THR 43 HA THR 43 -6.255 -3.639 -2.855 186 HB THR 43 HB THR 43 -6.310 -6.673 -2.785 187 HG1 THR 43 HG1 THR 43 -8.467 -6.391 -2.156 188 HG21 THR 43 HG21 THR 43 -6.925 -6.306 -0.416 189 HG22 THR 43 HG22 THR 43 -6.793 -4.549 -0.645 190 HG23 THR 43 HG23 THR 43 -5.351 -5.584 -0.765 191 H ARG 44 H ARG 44 -4.297 -2.963 -2.343 192 HA ARG 44 HA ARG 44 -1.879 -4.701 -2.796 193 HB2 ARG 44 HB2 ARG 44 -1.927 -1.682 -3.057 194 HB3 ARG 44 HB3 ARG 44 -0.573 -2.749 -3.411 195 HG2 ARG 44 HG2 ARG 44 -3.170 -2.505 -4.968 196 HG3 ARG 44 HG3 ARG 44 -1.607 -1.863 -5.438 197 HD2 ARG 44 HD2 ARG 44 -2.069 -4.848 -5.092 198 HD3 ARG 44 HD3 ARG 44 -2.466 -3.980 -6.573 199 HE ARG 44 HE ARG 44 0.310 -3.670 -5.559 200 HH11 ARG 44 HH11 ARG 44 -1.721 -5.333 -7.870 201 HH12 ARG 44 HH12 ARG 44 -0.388 -5.660 -8.940 202 HH21 ARG 44 HH21 ARG 44 1.917 -4.116 -6.896 203 HH22 ARG 44 HH22 ARG 44 1.661 -4.964 -8.408 204 H TYR 45 H TYR 45 -0.032 -4.006 -1.434 205 HA TYR 45 HA TYR 45 -0.839 -2.989 1.266 206 HB2 TYR 45 HB2 TYR 45 0.656 -5.565 0.666 207 HB3 TYR 45 HB3 TYR 45 0.411 -4.874 2.262 208 HD1 TYR 45 HD1 TYR 45 -1.883 -4.771 3.279 209 HD2 TYR 45 HD2 TYR 45 -1.151 -6.758 -0.488 210 HE1 TYR 45 HE1 TYR 45 -4.051 -5.975 3.479 211 HE2 TYR 45 HE2 TYR 45 -3.328 -7.938 -0.286 212 HH TYR 45 HH TYR 45 -5.491 -7.475 2.529 213 H TYR 46 H TYR 46 0.352 -1.187 1.489 214 HA TYR 46 HA TYR 46 3.129 -1.112 0.358 215 HB2 TYR 46 HB2 TYR 46 1.093 1.046 1.027 216 HB3 TYR 46 HB3 TYR 46 2.779 1.404 0.725 217 HD1 TYR 46 HD2 TYR 46 -0.293 -0.025 -0.879 218 HD2 TYR 46 HD1 TYR 46 3.674 1.569 -1.467 219 HE1 TYR 46 HE2 TYR 46 -0.752 0.251 -3.322 220 HE2 TYR 46 HE1 TYR 46 3.221 1.794 -3.896 221 HH TYR 46 HH TYR 46 1.598 1.766 -5.513 222 H CYS 47 H CYS 47 4.868 -0.919 1.687 223 HA CYS 47 HA CYS 47 4.515 -1.042 4.568 224 HB2 CYS 47 HB2 CYS 47 6.351 -2.220 3.272 225 HB3 CYS 47 HB3 CYS 47 7.134 -0.643 3.109 226 H MET 48 H MET 48 3.559 0.827 5.287 227 HA MET 48 HA MET 48 4.816 3.483 4.784 228 HB2 MET 48 HB2 MET 48 2.298 2.798 6.342 229 HB3 MET 48 HB3 MET 48 2.936 4.415 5.985 230 HG2 MET 48 HG2 MET 48 2.863 3.649 3.482 231 HG3 MET 48 HG3 MET 48 1.813 2.363 4.069 232 HE1 MET 48 HE1 MET 48 2.368 6.262 4.135 233 HE2 MET 48 HE2 MET 48 1.921 5.763 2.492 234 HE3 MET 48 HE3 MET 48 0.822 6.793 3.440 235 H GLY 49 H GLY 49 6.780 3.000 5.731 236 HA2 GLY 49 HA2 GLY 49 8.320 3.457 7.412 237 HA3 GLY 49 HA3 GLY 49 7.007 3.695 8.564 238 H ASN 50 H ASN 50 5.876 1.669 9.241 239 HA ASN 50 HA ASN 50 7.697 -0.701 9.489 240 HB2 ASN 50 HB2 ASN 50 8.038 0.931 11.348 241 HB3 ASN 50 HB3 ASN 50 6.344 0.733 11.809 242 HD21 ASN 50 HD21 ASN 50 6.204 -0.609 13.614 243 HD22 ASN 50 HD22 ASN 50 7.271 -1.987 13.865 244 H CYS 51 H CYS 51 4.628 0.187 8.551 245 HA CYS 51 HA CYS 51 3.619 -2.558 9.080 246 HB2 CYS 51 HB2 CYS 51 1.426 -1.726 9.653 247 HB3 CYS 51 HB3 CYS 51 2.622 -1.110 10.782 248 H CYS 52 H CYS 52 2.149 -3.367 7.624 249 HA CYS 52 HA CYS 52 2.342 -2.321 4.878 250 HB2 CYS 52 HB2 CYS 52 1.368 -4.902 6.120 251 HB3 CYS 52 HB3 CYS 52 1.282 -4.571 4.389 252 H LYS 53 H LYS 53 0.982 -0.465 5.126 253 HA LYS 53 HA LYS 53 -1.835 -0.664 5.864 254 HB2 LYS 53 HB2 LYS 53 -0.486 1.481 5.919 255 HB3 LYS 53 HB3 LYS 53 -0.521 1.482 4.146 256 HG2 LYS 53 HG2 LYS 53 -3.058 1.419 4.276 257 HG3 LYS 53 HG3 LYS 53 -2.929 1.559 6.035 258 HD2 LYS 53 HD2 LYS 53 -1.799 3.758 5.754 259 HD3 LYS 53 HD3 LYS 53 -1.920 3.570 3.988 260 HE2 LYS 53 HE2 LYS 53 -4.399 3.431 4.186 261 HE3 LYS 53 HE3 LYS 53 -4.262 3.729 5.924 262 HZ1 LYS 53 HZ1 LYS 53 -4.704 5.783 4.700 263 HZ2 LYS 53 HZ2 LYS 53 -3.361 5.599 3.790 264 HZ3 LYS 53 HZ3 LYS 53 -3.232 5.882 5.397 265 H VAL 54 H VAL 54 -3.431 -1.488 4.715 266 HA VAL 54 HA VAL 54 -3.094 -2.412 1.989 267 HB VAL 54 HB VAL 54 -4.509 -3.554 3.656 268 HG11 VAL 54 HG11 VAL 54 -6.766 -2.849 4.122 269 HG12 VAL 54 HG12 VAL 54 -5.650 -1.580 4.655 270 HG13 VAL 54 HG13 VAL 54 -6.572 -1.383 3.143 271 HG21 VAL 54 HG21 VAL 54 -6.253 -4.227 2.120 272 HG22 VAL 54 HG22 VAL 54 -6.026 -2.766 1.139 273 HG23 VAL 54 HG23 VAL 54 -4.741 -3.993 1.236 274 H TYR 55 H TYR 55 -3.874 -1.600 0.119 275 HA TYR 55 HA TYR 55 -5.269 1.047 0.063 276 HB2 TYR 55 HB2 TYR 55 -2.811 0.155 -1.447 277 HB3 TYR 55 HB3 TYR 55 -3.947 1.265 -2.192 278 HD1 TYR 55 HD1 TYR 55 -1.669 0.867 0.745 279 HD2 TYR 55 HD2 TYR 55 -4.132 3.555 -1.556 280 HE1 TYR 55 HE1 TYR 55 -0.683 2.801 1.955 281 HE2 TYR 55 HE2 TYR 55 -3.169 5.492 -0.315 282 HH TYR 55 HH TYR 55 -0.694 5.072 2.225 283 H GLU 56 H GLU 56 -7.093 1.009 -0.979 284 HA GLU 56 HA GLU 56 -7.850 -1.344 -2.663 285 HB2 GLU 56 HB2 GLU 56 -9.518 0.282 -0.714 286 HB3 GLU 56 HB3 GLU 56 -10.142 -0.959 -1.811 287 HG2 GLU 56 HG2 GLU 56 -8.681 -2.654 -0.726 288 HG3 GLU 56 HG3 GLU 56 -8.089 -1.427 0.397 289 H GLY 57 H GLY 57 -7.817 -0.725 -4.720 290 HA2 GLY 57 HA2 GLY 57 -9.414 0.980 -6.146 291 HA3 GLY 57 HA3 GLY 57 -8.174 2.076 -5.520 292 H CYS 58 H CYS 58 -7.849 2.294 -7.949 293 HA CYS 58 HA CYS 58 -6.344 0.128 -9.247 294 HB2 CYS 58 HB2 CYS 58 -7.858 1.752 -10.431 295 HB3 CYS 58 HB3 CYS 58 -6.602 2.979 -10.213 296 H TYR 59 H TYR 59 -4.661 -0.232 -7.795 297 HA TYR 59 HA TYR 59 -2.401 1.734 -7.873 298 HB2 TYR 59 HB2 TYR 59 -3.290 -0.041 -5.569 299 HB3 TYR 59 HB3 TYR 59 -1.776 0.846 -5.621 300 HD1 TYR 59 HD1 TYR 59 -1.747 3.335 -5.527 301 HD2 TYR 59 HD2 TYR 59 -5.381 1.070 -5.049 302 HE1 TYR 59 HE1 TYR 59 -2.841 5.320 -4.496 303 HE2 TYR 59 HE2 TYR 59 -6.494 3.078 -4.050 304 HH TYR 59 HH TYR 59 -4.741 6.138 -3.493 305 H THR 60 H THR 60 -0.550 0.933 -8.615 306 HA THR 60 HA THR 60 -0.078 -2.027 -8.806 307 HB THR 60 HB THR 60 0.805 -1.652 -11.105 308 HG1 THR 60 HG1 THR 60 1.203 0.483 -11.246 309 HG21 THR 60 HG21 THR 60 -1.527 -2.456 -10.768 310 HG22 THR 60 HG22 THR 60 -1.312 -1.507 -12.252 311 HG23 THR 60 HG23 THR 60 -2.096 -0.772 -10.843 312 H GLY 61 H GLY 61 1.254 0.893 -7.773 313 HA2 GLY 61 HA2 GLY 61 4.010 0.472 -8.630 314 HA3 GLY 61 HA3 GLY 61 3.399 1.767 -7.614 315 H GLY 62 H GLY 62 2.353 -0.946 -6.085 316 HA2 GLY 62 HA2 GLY 62 4.854 -1.632 -4.635 317 HA3 GLY 62 HA3 GLY 62 3.521 -0.944 -3.705 318 H TYR 63 H TYR 63 4.200 -3.187 -2.776 319 HA TYR 63 HA TYR 63 3.885 -5.586 -4.035 320 HB2 TYR 63 HB2 TYR 63 3.361 -5.083 -1.099 321 HB3 TYR 63 HB3 TYR 63 3.916 -6.584 -1.818 322 HD1 TYR 63 HD2 TYR 63 6.196 -6.507 -3.116 323 HD2 TYR 63 HD1 TYR 63 4.914 -3.484 -0.311 324 HE1 TYR 63 HE2 TYR 63 8.539 -5.685 -2.927 325 HE2 TYR 63 HE1 TYR 63 7.271 -2.670 -0.123 326 HH TYR 63 HH TYR 63 9.925 -4.101 -2.046 327 H SER 64 H SER 64 2.374 -7.010 -4.539 328 HA SER 64 HA SER 64 -0.457 -6.282 -4.317 329 HB2 SER 64 HB2 SER 64 0.746 -7.355 -6.332 330 HB3 SER 64 HB3 SER 64 0.594 -8.884 -5.452 331 HG SER 64 HG SER 64 -1.702 -8.439 -5.355 332 H ARG 65 H ARG 65 1.630 -8.126 -2.267 333 HA ARG 65 HA ARG 65 -0.693 -9.395 -0.913 334 HB2 ARG 65 HB2 ARG 65 0.858 -10.881 -2.394 335 HB3 ARG 65 HB3 ARG 65 2.090 -10.615 -1.164 336 HG2 ARG 65 HG2 ARG 65 0.469 -11.532 0.529 337 HG3 ARG 65 HG3 ARG 65 -0.675 -11.820 -0.795 338 HD2 ARG 65 HD2 ARG 65 0.994 -13.331 -1.878 339 HD3 ARG 65 HD3 ARG 65 2.119 -13.028 -0.540 340 HE ARG 65 HE ARG 65 -0.482 -14.050 0.328 341 HH11 ARG 65 HH11 ARG 65 2.642 -15.135 -0.823 342 HH12 ARG 65 HH12 ARG 65 2.458 -16.709 -0.100 343 HH21 ARG 65 HH21 ARG 65 -0.659 -16.069 1.211 344 HH22 ARG 65 HH22 ARG 65 0.629 -17.217 1.009 345 H MET 66 H MET 66 -0.659 -9.409 1.261 346 HA MET 66 HA MET 66 0.809 -7.659 2.906 347 HB2 MET 66 HB2 MET 66 -1.314 -8.795 3.492 348 HB3 MET 66 HB3 MET 66 -0.470 -10.343 3.581 349 HG2 MET 66 HG2 MET 66 -0.788 -9.532 5.815 350 HG3 MET 66 HG3 MET 66 0.926 -9.463 5.444 351 HE1 MET 66 HE1 MET 66 -2.244 -7.508 6.577 352 HE2 MET 66 HE2 MET 66 -1.927 -5.853 6.009 353 HE3 MET 66 HE3 MET 66 -2.251 -7.147 4.839 354 H GLY 67 H GLY 67 1.596 -11.013 1.953 355 HA2 GLY 67 HA2 GLY 67 3.874 -11.346 3.693 356 HA3 GLY 67 HA3 GLY 67 3.500 -12.316 2.268 357 H GLU 68 H GLU 68 3.617 -10.405 0.247 358 HA GLU 68 HA GLU 68 6.433 -10.068 -0.241 359 HB2 GLU 68 HB2 GLU 68 3.955 -9.003 -1.610 360 HB3 GLU 68 HB3 GLU 68 5.575 -8.564 -2.142 361 HG2 GLU 68 HG2 GLU 68 4.617 -11.444 -1.937 362 HG3 GLU 68 HG3 GLU 68 4.513 -10.456 -3.391 363 H CYS 69 H CYS 69 3.962 -7.832 1.010 364 HA CYS 69 HA CYS 69 5.757 -5.572 1.271 365 HB2 CYS 69 HB2 CYS 69 3.372 -5.296 1.278 366 HB3 CYS 69 HB3 CYS 69 3.180 -6.326 2.692 367 H ALA 70 H ALA 70 4.707 -8.032 3.701 368 HA ALA 70 HA ALA 70 6.141 -7.054 5.861 369 HB1 ALA 70 HB1 ALA 70 4.352 -8.723 5.998 370 HB2 ALA 70 HB2 ALA 70 5.396 -9.941 5.226 371 HB3 ALA 70 HB3 ALA 70 5.806 -9.301 6.832 372 H ARG 71 H ARG 71 7.393 -9.396 3.447 373 HA ARG 71 HA ARG 71 9.932 -9.853 4.738 374 HB2 ARG 71 HB2 ARG 71 10.715 -10.714 2.599 375 HB3 ARG 71 HB3 ARG 71 9.105 -11.334 2.977 376 HG2 ARG 71 HG2 ARG 71 8.083 -9.740 1.448 377 HG3 ARG 71 HG3 ARG 71 9.633 -8.983 1.092 378 HD2 ARG 71 HD2 ARG 71 8.999 -11.896 0.485 379 HD3 ARG 71 HD3 ARG 71 8.724 -10.540 -0.622 380 HE ARG 71 HE ARG 71 11.469 -10.784 0.416 381 HH11 ARG 71 HH11 ARG 71 9.329 -11.508 -2.271 382 HH12 ARG 71 HH12 ARG 71 10.657 -11.598 -3.406 383 HH21 ARG 71 HH21 ARG 71 13.101 -10.924 -1.065 384 HH22 ARG 71 HH22 ARG 71 12.747 -11.290 -2.725 385 H ASN 72 H ASN 72 8.882 -7.078 2.947 386 HA ASN 72 HA ASN 72 11.661 -6.039 2.704 387 HB2 ASN 72 HB2 ASN 72 9.027 -5.450 1.303 388 HB3 ASN 72 HB3 ASN 72 10.373 -4.325 1.237 389 HD21 ASN 72 HD21 ASN 72 12.619 -5.591 0.753 390 HD22 ASN 72 HD22 ASN 72 12.461 -6.697 -0.610 391 H CYS 73 H CYS 73 8.669 -5.363 4.408 392 HA CYS 73 HA CYS 73 9.422 -2.861 5.570 393 HB2 CYS 73 HB2 CYS 73 7.794 -5.214 6.598 394 HB3 CYS 73 HB3 CYS 73 8.095 -3.820 7.601 395 HA PRO 74 HA PRO 74 12.805 -3.907 8.251 396 HB2 PRO 74 HB2 PRO 74 12.706 -1.984 10.173 397 HB3 PRO 74 HB3 PRO 74 13.039 -1.615 8.454 398 HG2 PRO 74 HG2 PRO 74 10.379 -1.441 9.906 399 HG3 PRO 74 HG3 PRO 74 11.165 -0.192 8.888 400 HD2 PRO 74 HD2 PRO 74 9.263 -1.880 7.907 401 HD3 PRO 74 HD3 PRO 74 10.646 -1.349 6.906 402 H GLY 75 H GLY 75 9.617 -4.334 9.356 403 HA2 GLY 75 HA2 GLY 75 10.425 -6.142 11.567 404 HA3 GLY 75 HA3 GLY 75 9.274 -4.849 11.919 Start of MODEL 5 1 H1 GLY 19 H1 GLY 19 -10.158 5.523 24.565 2 H2 GLY 19 H2 GLY 19 -11.176 6.808 24.522 3 H3 GLY 19 H3 GLY 19 -11.444 5.512 23.555 4 HA2 GLY 19 HA2 GLY 19 -10.536 7.348 22.277 5 HA3 GLY 19 HA3 GLY 19 -9.128 7.328 23.354 6 H ASP 20 H ASP 20 -8.080 7.080 21.160 7 HA ASP 20 HA ASP 20 -7.783 4.206 20.404 8 HB2 ASP 20 HB2 ASP 20 -9.424 5.360 18.926 9 HB3 ASP 20 HB3 ASP 20 -8.175 6.514 18.463 10 H LYS 21 H LYS 21 -5.761 3.729 20.835 11 HA LYS 21 HA LYS 21 -3.523 5.522 19.921 12 HB2 LYS 21 HB2 LYS 21 -3.578 3.793 22.429 13 HB3 LYS 21 HB3 LYS 21 -2.169 4.617 21.784 14 HG2 LYS 21 HG2 LYS 21 -2.726 6.215 23.264 15 HG3 LYS 21 HG3 LYS 21 -3.706 6.781 21.925 16 HD2 LYS 21 HD2 LYS 21 -5.052 6.908 23.880 17 HD3 LYS 21 HD3 LYS 21 -5.681 5.521 22.982 18 HE2 LYS 21 HE2 LYS 21 -4.373 3.986 24.441 19 HE3 LYS 21 HE3 LYS 21 -3.676 5.373 25.285 20 HZ1 LYS 21 HZ1 LYS 21 -6.561 4.658 25.272 21 HZ2 LYS 21 HZ2 LYS 21 -5.922 5.958 26.038 22 HZ3 LYS 21 HZ3 LYS 21 -5.537 4.450 26.522 23 H GLU 22 H GLU 22 -4.911 2.453 19.505 24 HA GLU 22 HA GLU 22 -2.366 1.186 18.619 25 HB2 GLU 22 HB2 GLU 22 -3.933 -0.031 20.149 26 HB3 GLU 22 HB3 GLU 22 -5.125 -0.068 18.846 27 HG2 GLU 22 HG2 GLU 22 -3.422 -1.273 17.413 28 HG3 GLU 22 HG3 GLU 22 -2.302 -1.239 18.772 29 H GLU 23 H GLU 23 -2.187 2.781 16.902 30 HA GLU 23 HA GLU 23 -3.557 1.925 14.414 31 HB2 GLU 23 HB2 GLU 23 -4.125 4.182 13.778 32 HB3 GLU 23 HB3 GLU 23 -4.892 3.786 15.315 33 HG2 GLU 23 HG2 GLU 23 -3.044 5.037 16.499 34 HG3 GLU 23 HG3 GLU 23 -2.414 5.516 14.921 35 H CYS 24 H CYS 24 -2.591 2.885 12.467 36 HA CYS 24 HA CYS 24 0.329 3.507 12.701 37 HB2 CYS 24 HB2 CYS 24 -1.091 1.621 10.810 38 HB3 CYS 24 HB3 CYS 24 0.413 2.426 10.362 39 H THR 25 H THR 25 -1.002 5.647 12.967 40 HA THR 25 HA THR 25 -1.481 7.100 10.467 41 HB THR 25 HB THR 25 -1.142 9.110 12.021 42 HG1 THR 25 HG1 THR 25 -1.308 8.623 14.231 43 HG21 THR 25 HG21 THR 25 -3.374 8.291 11.409 44 HG22 THR 25 HG22 THR 25 -3.347 8.822 13.099 45 HG23 THR 25 HG23 THR 25 -3.313 7.086 12.712 46 H VAL 26 H VAL 26 -0.081 8.611 9.547 47 HA VAL 26 HA VAL 26 2.812 8.494 10.189 48 HB VAL 26 HB VAL 26 3.308 8.095 7.751 49 HG11 VAL 26 HG11 VAL 26 3.502 6.321 9.478 50 HG12 VAL 26 HG12 VAL 26 1.846 5.793 9.094 51 HG13 VAL 26 HG13 VAL 26 3.120 5.711 7.868 52 HG21 VAL 26 HG21 VAL 26 1.091 8.612 6.769 53 HG22 VAL 26 HG22 VAL 26 1.686 7.010 6.317 54 HG23 VAL 26 HG23 VAL 26 0.417 7.161 7.548 55 HA PRO 27 HA PRO 27 2.621 12.756 9.033 56 HB2 PRO 27 HB2 PRO 27 5.141 13.311 8.096 57 HB3 PRO 27 HB3 PRO 27 4.787 12.967 9.815 58 HG2 PRO 27 HG2 PRO 27 5.798 11.025 7.706 59 HG3 PRO 27 HG3 PRO 27 6.451 11.307 9.350 60 HD2 PRO 27 HD2 PRO 27 4.757 9.266 8.848 61 HD3 PRO 27 HD3 PRO 27 4.627 10.195 10.367 62 H ILE 28 H ILE 28 2.180 14.081 7.289 63 HA ILE 28 HA ILE 28 1.572 12.995 4.734 64 HB ILE 28 HB ILE 28 0.457 14.932 5.654 65 HG12 ILE 28 HG12 ILE 28 1.839 15.796 3.085 66 HG13 ILE 28 HG13 ILE 28 0.652 14.487 3.143 67 HG21 ILE 28 HG21 ILE 28 2.386 16.066 6.751 68 HG22 ILE 28 HG22 ILE 28 3.025 16.511 5.153 69 HG23 ILE 28 HG23 ILE 28 1.479 17.167 5.722 70 HD11 ILE 28 HD11 ILE 28 -1.050 16.053 4.052 71 HD12 ILE 28 HD12 ILE 28 0.117 17.389 3.894 72 HD13 ILE 28 HD13 ILE 28 -0.447 16.530 2.453 73 H GLY 29 H GLY 29 4.613 14.175 5.926 74 HA2 GLY 29 HA2 GLY 29 5.871 14.592 3.351 75 HA3 GLY 29 HA3 GLY 29 6.691 14.439 4.906 76 H TRP 30 H TRP 30 4.958 11.638 4.876 77 HA TRP 30 HA TRP 30 7.113 9.939 3.890 78 HB2 TRP 30 HB2 TRP 30 5.570 9.344 5.770 79 HB3 TRP 30 HB3 TRP 30 4.238 9.261 4.623 80 HD1 TRP 30 HD1 TRP 30 4.349 7.273 2.793 81 HE1 TRP 30 HE1 TRP 30 5.458 4.948 2.830 82 HE3 TRP 30 HE3 TRP 30 7.503 7.962 6.750 83 HZ2 TRP 30 HZ2 TRP 30 7.506 3.596 4.343 84 HZ3 TRP 30 HZ3 TRP 30 9.027 6.142 7.483 85 HH2 TRP 30 HH2 TRP 30 9.049 3.958 6.282 86 H SER 31 H SER 31 7.220 8.866 1.942 87 HA SER 31 HA SER 31 5.726 9.903 -0.334 88 HB2 SER 31 HB2 SER 31 8.134 9.238 -0.404 89 HB3 SER 31 HB3 SER 31 7.644 7.546 -0.240 90 HG SER 31 HG SER 31 7.034 9.379 -2.351 91 H GLU 32 H GLU 32 3.585 9.415 -0.199 92 HA GLU 32 HA GLU 32 2.655 6.643 0.230 93 HB2 GLU 32 HB2 GLU 32 0.498 7.562 0.491 94 HB3 GLU 32 HB3 GLU 32 1.584 8.578 1.400 95 HG2 GLU 32 HG2 GLU 32 0.563 9.292 -1.389 96 HG3 GLU 32 HG3 GLU 32 -0.293 9.665 0.088 97 HA PRO 33 HA PRO 33 1.928 5.887 -4.106 98 HB2 PRO 33 HB2 PRO 33 -0.128 4.109 -4.133 99 HB3 PRO 33 HB3 PRO 33 1.475 3.750 -3.427 100 HG2 PRO 33 HG2 PRO 33 -1.007 4.708 -1.960 101 HG3 PRO 33 HG3 PRO 33 -0.009 3.264 -1.588 102 HD2 PRO 33 HD2 PRO 33 0.391 5.614 -0.318 103 HD3 PRO 33 HD3 PRO 33 1.774 4.584 -0.781 104 H VAL 34 H VAL 34 0.122 5.790 -5.811 105 HA VAL 34 HA VAL 34 -1.964 7.875 -5.406 106 HB VAL 34 HB VAL 34 -0.000 8.917 -6.414 107 HG11 VAL 34 HG11 VAL 34 0.917 6.993 -7.685 108 HG12 VAL 34 HG12 VAL 34 -0.450 7.102 -8.817 109 HG13 VAL 34 HG13 VAL 34 0.712 8.437 -8.688 110 HG21 VAL 34 HG21 VAL 34 -2.310 8.741 -8.386 111 HG22 VAL 34 HG22 VAL 34 -2.274 9.756 -6.923 112 HG23 VAL 34 HG23 VAL 34 -1.122 10.046 -8.234 113 H LYS 35 H LYS 35 -3.860 7.548 -6.360 114 HA LYS 35 HA LYS 35 -4.454 4.914 -7.545 115 HB2 LYS 35 HB2 LYS 35 -5.860 6.054 -5.778 116 HB3 LYS 35 HB3 LYS 35 -6.330 7.256 -6.986 117 HG2 LYS 35 HG2 LYS 35 -7.365 5.524 -8.345 118 HG3 LYS 35 HG3 LYS 35 -6.723 4.253 -7.325 119 HD2 LYS 35 HD2 LYS 35 -9.162 4.752 -7.162 120 HD3 LYS 35 HD3 LYS 35 -8.306 4.644 -5.626 121 HE2 LYS 35 HE2 LYS 35 -8.878 7.330 -6.932 122 HE3 LYS 35 HE3 LYS 35 -10.106 6.480 -6.000 123 HZ1 LYS 35 HZ1 LYS 35 -8.926 8.026 -4.599 124 HZ2 LYS 35 HZ2 LYS 35 -7.484 7.335 -4.898 125 HZ3 LYS 35 HZ3 LYS 35 -8.640 6.515 -4.074 126 H GLY 36 H GLY 36 -4.919 4.515 -9.613 127 HA2 GLY 36 HA2 GLY 36 -4.393 6.420 -11.748 128 HA3 GLY 36 HA3 GLY 36 -4.842 4.727 -11.910 129 H LEU 37 H LEU 37 -7.139 6.167 -10.003 130 HA LEU 37 HA LEU 37 -9.345 6.691 -10.195 131 HB2 LEU 37 HB2 LEU 37 -8.399 8.382 -12.522 132 HB3 LEU 37 HB3 LEU 37 -9.816 8.661 -11.517 133 HG LEU 37 HG LEU 37 -6.917 8.846 -10.586 134 HD11 LEU 37 HD11 LEU 37 -7.399 11.251 -10.438 135 HD12 LEU 37 HD12 LEU 37 -9.032 10.971 -11.094 136 HD13 LEU 37 HD13 LEU 37 -7.598 10.647 -12.095 137 HD21 LEU 37 HD21 LEU 37 -7.800 9.759 -8.508 138 HD22 LEU 37 HD22 LEU 37 -8.468 8.145 -8.750 139 HD23 LEU 37 HD23 LEU 37 -9.473 9.573 -9.083 140 H CYS 38 H CYS 38 -8.522 4.373 -11.920 141 HA CYS 38 HA CYS 38 -10.348 4.505 -14.212 142 HB2 CYS 38 HB2 CYS 38 -9.556 2.410 -14.892 143 HB3 CYS 38 HB3 CYS 38 -8.189 3.358 -14.382 144 H LYS 39 H LYS 39 -11.698 2.490 -14.649 145 HA LYS 39 HA LYS 39 -13.986 2.550 -12.844 146 HB2 LYS 39 HB2 LYS 39 -13.450 0.978 -15.396 147 HB3 LYS 39 HB3 LYS 39 -15.014 1.097 -14.608 148 HG2 LYS 39 HG2 LYS 39 -13.501 3.446 -15.842 149 HG3 LYS 39 HG3 LYS 39 -14.821 2.546 -16.563 150 HD2 LYS 39 HD2 LYS 39 -16.015 4.322 -15.764 151 HD3 LYS 39 HD3 LYS 39 -16.177 3.212 -14.416 152 HE2 LYS 39 HE2 LYS 39 -15.705 5.292 -13.427 153 HE3 LYS 39 HE3 LYS 39 -14.171 4.430 -13.341 154 HZ1 LYS 39 HZ1 LYS 39 -13.473 5.682 -15.348 155 HZ2 LYS 39 HZ2 LYS 39 -13.854 6.694 -14.125 156 HZ3 LYS 39 HZ3 LYS 39 -14.895 6.486 -15.362 157 H ALA 40 H ALA 40 -11.320 0.785 -12.337 158 HA ALA 40 HA ALA 40 -12.798 -1.567 -11.219 159 HB1 ALA 40 HB1 ALA 40 -10.736 -2.853 -11.575 160 HB2 ALA 40 HB2 ALA 40 -11.307 -2.149 -13.098 161 HB3 ALA 40 HB3 ALA 40 -9.933 -1.416 -12.239 162 H ARG 41 H ARG 41 -11.852 -2.545 -9.355 163 HA ARG 41 HA ARG 41 -10.412 -0.746 -7.452 164 HB2 ARG 41 HB2 ARG 41 -11.928 -1.577 -5.640 165 HB3 ARG 41 HB3 ARG 41 -12.594 -0.390 -6.746 166 HG2 ARG 41 HG2 ARG 41 -14.142 -1.792 -7.630 167 HG3 ARG 41 HG3 ARG 41 -13.143 -3.234 -7.506 168 HD2 ARG 41 HD2 ARG 41 -14.360 -1.885 -5.067 169 HD3 ARG 41 HD3 ARG 41 -15.205 -3.131 -5.983 170 HE ARG 41 HE ARG 41 -12.923 -3.499 -4.178 171 HH11 ARG 41 HH11 ARG 41 -14.714 -5.061 -6.746 172 HH12 ARG 41 HH12 ARG 41 -14.080 -6.635 -6.357 173 HH21 ARG 41 HH21 ARG 41 -12.133 -5.518 -3.747 174 HH22 ARG 41 HH22 ARG 41 -12.663 -6.877 -4.693 175 H PHE 42 H PHE 42 -8.542 -1.810 -7.756 176 HA PHE 42 HA PHE 42 -8.237 -4.674 -7.130 177 HB2 PHE 42 HB2 PHE 42 -6.083 -2.579 -7.549 178 HB3 PHE 42 HB3 PHE 42 -5.929 -4.323 -7.705 179 HD1 PHE 42 HD2 PHE 42 -8.054 -5.201 -9.464 180 HD2 PHE 42 HD1 PHE 42 -5.764 -1.547 -9.625 181 HE1 PHE 42 HE2 PHE 42 -8.558 -4.986 -11.880 182 HE2 PHE 42 HE1 PHE 42 -6.279 -1.334 -12.041 183 HZ PHE 42 HZ PHE 42 -7.677 -3.052 -13.171 184 H THR 43 H THR 43 -6.329 -5.118 -5.569 185 HA THR 43 HA THR 43 -6.354 -3.363 -3.156 186 HB THR 43 HB THR 43 -6.240 -6.391 -2.958 187 HG1 THR 43 HG1 THR 43 -8.299 -5.760 -3.706 188 HG21 THR 43 HG21 THR 43 -5.298 -5.162 -1.047 189 HG22 THR 43 HG22 THR 43 -6.820 -5.943 -0.598 190 HG23 THR 43 HG23 THR 43 -6.788 -4.196 -0.916 191 H ARG 44 H ARG 44 -4.335 -2.905 -2.430 192 HA ARG 44 HA ARG 44 -1.992 -4.565 -3.326 193 HB2 ARG 44 HB2 ARG 44 -2.105 -1.527 -3.323 194 HB3 ARG 44 HB3 ARG 44 -0.682 -2.492 -3.707 195 HG2 ARG 44 HG2 ARG 44 -3.256 -2.341 -5.323 196 HG3 ARG 44 HG3 ARG 44 -1.735 -1.545 -5.710 197 HD2 ARG 44 HD2 ARG 44 -2.075 -4.561 -5.584 198 HD3 ARG 44 HD3 ARG 44 -2.235 -3.593 -7.051 199 HE ARG 44 HE ARG 44 0.285 -2.927 -5.977 200 HH11 ARG 44 HH11 ARG 44 -1.227 -5.762 -7.332 201 HH12 ARG 44 HH12 ARG 44 0.292 -6.529 -7.686 202 HH21 ARG 44 HH21 ARG 44 2.196 -3.868 -6.574 203 HH22 ARG 44 HH22 ARG 44 2.163 -5.316 -7.539 204 H TYR 45 H TYR 45 -0.101 -4.328 -2.035 205 HA TYR 45 HA TYR 45 -0.719 -3.656 0.820 206 HB2 TYR 45 HB2 TYR 45 0.866 -6.026 -0.190 207 HB3 TYR 45 HB3 TYR 45 0.505 -5.590 1.482 208 HD1 TYR 45 HD1 TYR 45 -2.029 -5.405 2.132 209 HD2 TYR 45 HD2 TYR 45 -0.619 -7.476 -1.386 210 HE1 TYR 45 HE1 TYR 45 -4.156 -6.703 2.033 211 HE2 TYR 45 HE2 TYR 45 -2.748 -8.746 -1.489 212 HH TYR 45 HH TYR 45 -5.362 -8.297 0.914 213 H TYR 46 H TYR 46 0.193 -1.687 0.611 214 HA TYR 46 HA TYR 46 3.067 -1.331 -0.038 215 HB2 TYR 46 HB2 TYR 46 0.941 0.615 0.963 216 HB3 TYR 46 HB3 TYR 46 2.595 1.050 0.585 217 HD1 TYR 46 HD1 TYR 46 3.431 1.139 -1.716 218 HD2 TYR 46 HD2 TYR 46 -0.661 0.074 -0.875 219 HE1 TYR 46 HE1 TYR 46 2.831 1.557 -4.089 220 HE2 TYR 46 HE2 TYR 46 -1.268 0.565 -3.251 221 HH TYR 46 HH TYR 46 1.107 1.802 -5.588 222 H CYS 47 H CYS 47 4.378 -0.055 1.660 223 HA CYS 47 HA CYS 47 3.691 -0.759 4.471 224 HB2 CYS 47 HB2 CYS 47 5.456 -2.322 3.778 225 HB3 CYS 47 HB3 CYS 47 6.445 -0.963 3.226 226 H MET 48 H MET 48 3.865 0.840 5.867 227 HA MET 48 HA MET 48 4.813 3.509 4.885 228 HB2 MET 48 HB2 MET 48 2.463 2.960 6.705 229 HB3 MET 48 HB3 MET 48 2.946 4.511 6.003 230 HG2 MET 48 HG2 MET 48 1.957 2.104 4.440 231 HG3 MET 48 HG3 MET 48 1.001 3.509 4.862 232 HE1 MET 48 HE1 MET 48 2.077 6.279 2.481 233 HE2 MET 48 HE2 MET 48 0.850 5.660 3.600 234 HE3 MET 48 HE3 MET 48 2.470 6.096 4.204 235 H GLY 49 H GLY 49 5.991 1.303 6.791 236 HA2 GLY 49 HA2 GLY 49 7.874 2.613 8.152 237 HA3 GLY 49 HA3 GLY 49 6.530 2.841 9.274 238 H ASN 50 H ASN 50 5.731 1.087 10.419 239 HA ASN 50 HA ASN 50 7.311 -1.458 10.372 240 HB2 ASN 50 HB2 ASN 50 6.942 -1.602 12.744 241 HB3 ASN 50 HB3 ASN 50 7.607 -0.020 12.369 242 HD21 ASN 50 HD21 ASN 50 4.705 -1.758 13.426 243 HD22 ASN 50 HD22 ASN 50 3.867 -0.306 13.979 244 H CYS 51 H CYS 51 4.573 -0.521 9.079 245 HA CYS 51 HA CYS 51 3.081 -3.036 9.525 246 HB2 CYS 51 HB2 CYS 51 0.996 -1.381 9.690 247 HB3 CYS 51 HB3 CYS 51 1.906 -1.917 11.093 248 H CYS 52 H CYS 52 2.186 -3.808 7.720 249 HA CYS 52 HA CYS 52 2.526 -2.363 5.210 250 HB2 CYS 52 HB2 CYS 52 1.398 -5.116 5.768 251 HB3 CYS 52 HB3 CYS 52 1.588 -4.392 4.179 252 H LYS 53 H LYS 53 1.093 -0.601 5.443 253 HA LYS 53 HA LYS 53 -1.757 -0.835 5.855 254 HB2 LYS 53 HB2 LYS 53 -0.444 1.270 6.112 255 HB3 LYS 53 HB3 LYS 53 -0.252 1.345 4.351 256 HG2 LYS 53 HG2 LYS 53 -2.666 1.476 4.042 257 HG3 LYS 53 HG3 LYS 53 -2.964 1.281 5.767 258 HD2 LYS 53 HD2 LYS 53 -1.357 3.641 4.690 259 HD3 LYS 53 HD3 LYS 53 -3.109 3.615 4.645 260 HE2 LYS 53 HE2 LYS 53 -2.612 4.805 6.587 261 HE3 LYS 53 HE3 LYS 53 -3.177 3.225 7.124 262 HZ1 LYS 53 HZ1 LYS 53 -1.190 3.997 8.337 263 HZ2 LYS 53 HZ2 LYS 53 -0.322 4.055 6.964 264 HZ3 LYS 53 HZ3 LYS 53 -0.862 2.609 7.544 265 H VAL 54 H VAL 54 -3.080 -1.934 4.667 266 HA VAL 54 HA VAL 54 -2.787 -2.546 1.850 267 HB VAL 54 HB VAL 54 -4.046 -3.933 3.453 268 HG11 VAL 54 HG11 VAL 54 -5.246 -2.156 4.728 269 HG12 VAL 54 HG12 VAL 54 -6.260 -1.850 3.300 270 HG13 VAL 54 HG13 VAL 54 -6.319 -3.422 4.115 271 HG21 VAL 54 HG21 VAL 54 -5.785 -2.990 1.141 272 HG22 VAL 54 HG22 VAL 54 -4.422 -4.123 1.009 273 HG23 VAL 54 HG23 VAL 54 -5.848 -4.558 1.962 274 H TYR 55 H TYR 55 -3.757 -1.631 0.074 275 HA TYR 55 HA TYR 55 -5.355 0.883 0.399 276 HB2 TYR 55 HB2 TYR 55 -2.996 0.364 -1.419 277 HB3 TYR 55 HB3 TYR 55 -4.263 1.468 -1.902 278 HD1 TYR 55 HD1 TYR 55 -1.826 0.869 0.909 279 HD2 TYR 55 HD2 TYR 55 -4.287 3.709 -1.203 280 HE1 TYR 55 HE1 TYR 55 -0.758 2.735 2.169 281 HE2 TYR 55 HE2 TYR 55 -3.241 5.564 0.074 282 HH TYR 55 HH TYR 55 -1.752 6.142 1.705 283 H GLU 56 H GLU 56 -6.969 1.210 -1.094 284 HA GLU 56 HA GLU 56 -7.858 -1.127 -2.738 285 HB2 GLU 56 HB2 GLU 56 -9.538 0.567 -0.844 286 HB3 GLU 56 HB3 GLU 56 -10.152 -0.664 -1.952 287 HG2 GLU 56 HG2 GLU 56 -8.848 -2.402 -0.735 288 HG3 GLU 56 HG3 GLU 56 -8.269 -1.173 0.395 289 H GLY 57 H GLY 57 -8.381 -0.577 -4.765 290 HA2 GLY 57 HA2 GLY 57 -9.891 1.282 -5.962 291 HA3 GLY 57 HA3 GLY 57 -8.526 2.294 -5.514 292 H CYS 58 H CYS 58 -8.598 2.516 -7.947 293 HA CYS 58 HA CYS 58 -7.272 0.500 -9.556 294 HB2 CYS 58 HB2 CYS 58 -8.762 2.347 -10.369 295 HB3 CYS 58 HB3 CYS 58 -7.470 3.494 -9.997 296 H TYR 59 H TYR 59 -5.614 0.046 -7.776 297 HA TYR 59 HA TYR 59 -3.161 1.766 -8.073 298 HB2 TYR 59 HB2 TYR 59 -4.032 -0.029 -5.782 299 HB3 TYR 59 HB3 TYR 59 -2.428 0.667 -5.943 300 HD1 TYR 59 HD1 TYR 59 -5.998 1.496 -5.436 301 HD2 TYR 59 HD2 TYR 59 -1.938 2.899 -5.260 302 HE1 TYR 59 HE1 TYR 59 -6.777 3.536 -4.246 303 HE2 TYR 59 HE2 TYR 59 -2.693 4.898 -3.958 304 HH TYR 59 HH TYR 59 -6.082 5.350 -2.962 305 H THR 60 H THR 60 -1.408 0.879 -8.936 306 HA THR 60 HA THR 60 -1.232 -2.082 -9.399 307 HB THR 60 HB THR 60 -0.147 -1.517 -11.558 308 HG1 THR 60 HG1 THR 60 -0.373 0.616 -12.305 309 HG21 THR 60 HG21 THR 60 -2.149 -0.891 -12.781 310 HG22 THR 60 HG22 THR 60 -2.915 -0.258 -11.311 311 HG23 THR 60 HG23 THR 60 -2.595 -1.999 -11.472 312 H GLY 61 H GLY 61 0.332 0.495 -7.902 313 HA2 GLY 61 HA2 GLY 61 3.107 -0.428 -8.324 314 HA3 GLY 61 HA3 GLY 61 2.575 0.965 -7.385 315 H GLY 62 H GLY 62 4.368 -0.136 -6.071 316 HA2 GLY 62 HA2 GLY 62 4.982 -1.092 -4.062 317 HA3 GLY 62 HA3 GLY 62 3.264 -1.162 -3.652 318 H TYR 63 H TYR 63 4.249 -3.095 -2.509 319 HA TYR 63 HA TYR 63 4.926 -5.446 -4.028 320 HB2 TYR 63 HB2 TYR 63 4.014 -5.231 -1.144 321 HB3 TYR 63 HB3 TYR 63 4.820 -6.590 -1.884 322 HD1 TYR 63 HD1 TYR 63 7.201 -6.313 -2.775 323 HD2 TYR 63 HD2 TYR 63 5.274 -3.352 -0.292 324 HE1 TYR 63 HE1 TYR 63 9.418 -5.339 -2.219 325 HE2 TYR 63 HE2 TYR 63 7.508 -2.378 0.263 326 HH TYR 63 HH TYR 63 10.536 -3.669 -1.136 327 H SER 64 H SER 64 3.754 -7.098 -4.714 328 HA SER 64 HA SER 64 0.865 -6.790 -4.987 329 HB2 SER 64 HB2 SER 64 2.635 -7.673 -6.698 330 HB3 SER 64 HB3 SER 64 2.411 -9.230 -5.886 331 HG SER 64 HG SER 64 0.173 -9.063 -6.374 332 H ARG 65 H ARG 65 2.810 -8.400 -2.646 333 HA ARG 65 HA ARG 65 0.495 -9.958 -1.620 334 HB2 ARG 65 HB2 ARG 65 2.470 -11.235 -2.781 335 HB3 ARG 65 HB3 ARG 65 3.420 -10.764 -1.371 336 HG2 ARG 65 HG2 ARG 65 1.469 -11.799 0.002 337 HG3 ARG 65 HG3 ARG 65 0.949 -12.505 -1.524 338 HD2 ARG 65 HD2 ARG 65 3.660 -12.900 -0.158 339 HD3 ARG 65 HD3 ARG 65 2.347 -14.064 -0.139 340 HE ARG 65 HE ARG 65 4.182 -13.448 -2.374 341 HH11 ARG 65 HH11 ARG 65 1.309 -15.240 -1.490 342 HH12 ARG 65 HH12 ARG 65 1.486 -16.346 -2.825 343 HH21 ARG 65 HH21 ARG 65 4.346 -14.872 -4.045 344 HH22 ARG 65 HH22 ARG 65 3.161 -16.129 -4.232 345 H MET 66 H MET 66 0.179 -9.872 0.537 346 HA MET 66 HA MET 66 1.233 -7.777 2.165 347 HB2 MET 66 HB2 MET 66 -1.005 -9.127 2.244 348 HB3 MET 66 HB3 MET 66 -0.100 -10.269 3.251 349 HG2 MET 66 HG2 MET 66 0.378 -8.389 4.837 350 HG3 MET 66 HG3 MET 66 -0.452 -7.282 3.736 351 HE1 MET 66 HE1 MET 66 -1.756 -6.514 5.985 352 HE2 MET 66 HE2 MET 66 -2.594 -6.395 4.419 353 HE3 MET 66 HE3 MET 66 -3.467 -6.990 5.850 354 H GLY 67 H GLY 67 2.512 -10.921 1.559 355 HA2 GLY 67 HA2 GLY 67 4.392 -10.916 3.844 356 HA3 GLY 67 HA3 GLY 67 4.346 -12.077 2.527 357 H GLU 68 H GLU 68 4.474 -9.955 0.420 358 HA GLU 68 HA GLU 68 7.352 -9.855 0.140 359 HB2 GLU 68 HB2 GLU 68 5.014 -8.827 -1.460 360 HB3 GLU 68 HB3 GLU 68 6.647 -8.325 -1.869 361 HG2 GLU 68 HG2 GLU 68 5.900 -11.256 -1.635 362 HG3 GLU 68 HG3 GLU 68 5.666 -10.325 -3.114 363 H CYS 69 H CYS 69 4.980 -7.496 1.276 364 HA CYS 69 HA CYS 69 6.926 -5.317 1.507 365 HB2 CYS 69 HB2 CYS 69 5.162 -4.188 2.734 366 HB3 CYS 69 HB3 CYS 69 4.514 -4.929 1.279 367 H ALA 70 H ALA 70 5.608 -7.767 3.752 368 HA ALA 70 HA ALA 70 6.826 -6.728 6.094 369 HB1 ALA 70 HB1 ALA 70 4.769 -8.102 6.025 370 HB2 ALA 70 HB2 ALA 70 5.723 -9.514 5.509 371 HB3 ALA 70 HB3 ALA 70 5.979 -8.802 7.116 372 H ARG 71 H ARG 71 8.112 -9.056 3.767 373 HA ARG 71 HA ARG 71 10.436 -9.866 5.326 374 HB2 ARG 71 HB2 ARG 71 11.462 -10.452 3.153 375 HB3 ARG 71 HB3 ARG 71 9.841 -11.133 3.350 376 HG2 ARG 71 HG2 ARG 71 8.907 -9.358 1.947 377 HG3 ARG 71 HG3 ARG 71 10.497 -8.620 1.730 378 HD2 ARG 71 HD2 ARG 71 9.784 -11.439 0.834 379 HD3 ARG 71 HD3 ARG 71 9.640 -9.976 -0.158 380 HE ARG 71 HE ARG 71 12.308 -10.363 0.974 381 HH11 ARG 71 HH11 ARG 71 10.274 -11.106 -1.801 382 HH12 ARG 71 HH12 ARG 71 11.653 -11.218 -2.871 383 HH21 ARG 71 HH21 ARG 71 14.007 -10.540 -0.450 384 HH22 ARG 71 HH22 ARG 71 13.698 -10.930 -2.115 385 H ASN 72 H ASN 72 9.735 -6.948 3.543 386 HA ASN 72 HA ASN 72 12.572 -6.135 3.469 387 HB2 ASN 72 HB2 ASN 72 10.796 -6.018 1.523 388 HB3 ASN 72 HB3 ASN 72 10.243 -4.554 2.328 389 HD21 ASN 72 HD21 ASN 72 13.006 -6.156 0.787 390 HD22 ASN 72 HD22 ASN 72 13.888 -4.666 0.452 391 H CYS 73 H CYS 73 9.475 -4.820 4.665 392 HA CYS 73 HA CYS 73 10.673 -2.727 6.296 393 HB2 CYS 73 HB2 CYS 73 7.937 -3.928 5.872 394 HB3 CYS 73 HB3 CYS 73 8.217 -2.986 7.327 395 HA PRO 74 HA PRO 74 11.849 -5.000 9.857 396 HB2 PRO 74 HB2 PRO 74 11.315 -3.347 11.981 397 HB3 PRO 74 HB3 PRO 74 12.565 -3.006 10.748 398 HG2 PRO 74 HG2 PRO 74 9.717 -1.957 10.840 399 HG3 PRO 74 HG3 PRO 74 11.231 -1.023 10.614 400 HD2 PRO 74 HD2 PRO 74 9.730 -1.786 8.493 401 HD3 PRO 74 HD3 PRO 74 11.512 -1.840 8.408 402 H GLY 75 H GLY 75 8.491 -4.034 9.813 403 HA2 GLY 75 HA2 GLY 75 6.528 -4.928 10.668 404 HA3 GLY 75 HA3 GLY 75 7.376 -6.469 10.755 Start of MODEL 6 1 H1 GLY 19 H1 GLY 19 -7.680 -9.804 22.798 2 H2 GLY 19 H2 GLY 19 -7.839 -11.180 21.922 3 H3 GLY 19 H3 GLY 19 -6.380 -10.438 22.026 4 HA2 GLY 19 HA2 GLY 19 -7.367 -10.006 19.873 5 HA3 GLY 19 HA3 GLY 19 -8.780 -9.336 20.709 6 H ASP 20 H ASP 20 -6.214 -8.379 19.004 7 HA ASP 20 HA ASP 20 -5.843 -5.800 20.464 8 HB2 ASP 20 HB2 ASP 20 -3.678 -7.580 19.270 9 HB3 ASP 20 HB3 ASP 20 -3.439 -5.900 19.737 10 H LYS 21 H LYS 21 -5.813 -4.033 19.199 11 HA LYS 21 HA LYS 21 -6.589 -4.219 16.361 12 HB2 LYS 21 HB2 LYS 21 -6.105 -1.889 18.276 13 HB3 LYS 21 HB3 LYS 21 -6.401 -1.662 16.560 14 HG2 LYS 21 HG2 LYS 21 -8.448 -1.307 17.660 15 HG3 LYS 21 HG3 LYS 21 -8.594 -2.806 16.747 16 HD2 LYS 21 HD2 LYS 21 -8.401 -4.135 18.780 17 HD3 LYS 21 HD3 LYS 21 -8.033 -2.703 19.753 18 HE2 LYS 21 HE2 LYS 21 -10.644 -3.162 18.233 19 HE3 LYS 21 HE3 LYS 21 -10.393 -3.618 19.919 20 HZ1 LYS 21 HZ1 LYS 21 -9.966 -1.274 20.435 21 HZ2 LYS 21 HZ2 LYS 21 -11.447 -1.457 19.778 22 HZ3 LYS 21 HZ3 LYS 21 -10.236 -0.840 18.881 23 H GLU 22 H GLU 22 -5.448 -3.246 14.648 24 HA GLU 22 HA GLU 22 -2.496 -2.896 14.946 25 HB2 GLU 22 HB2 GLU 22 -3.827 -4.784 12.964 26 HB3 GLU 22 HB3 GLU 22 -2.117 -4.326 12.977 27 HG2 GLU 22 HG2 GLU 22 -1.930 -5.283 15.295 28 HG3 GLU 22 HG3 GLU 22 -3.587 -5.878 15.148 29 H GLU 23 H GLU 23 -2.680 -0.707 14.608 30 HA GLU 23 HA GLU 23 -3.550 0.206 11.896 31 HB2 GLU 23 HB2 GLU 23 -3.925 2.374 12.844 32 HB3 GLU 23 HB3 GLU 23 -4.874 1.179 13.706 33 HG2 GLU 23 HG2 GLU 23 -2.219 2.276 14.748 34 HG3 GLU 23 HG3 GLU 23 -3.769 3.023 15.074 35 H CYS 24 H CYS 24 -2.371 2.098 11.045 36 HA CYS 24 HA CYS 24 0.575 2.018 11.587 37 HB2 CYS 24 HB2 CYS 24 -0.805 2.158 8.889 38 HB3 CYS 24 HB3 CYS 24 0.920 2.288 9.171 39 H THR 25 H THR 25 0.388 3.898 12.912 40 HA THR 25 HA THR 25 -0.585 6.438 11.875 41 HB THR 25 HB THR 25 0.728 7.345 13.872 42 HG1 THR 25 HG1 THR 25 1.285 5.802 15.420 43 HG21 THR 25 HG21 THR 25 -1.710 6.911 13.927 44 HG22 THR 25 HG22 THR 25 -0.949 6.562 15.488 45 HG23 THR 25 HG23 THR 25 -1.404 5.225 14.407 46 H VAL 26 H VAL 26 0.386 7.742 10.516 47 HA VAL 26 HA VAL 26 3.337 7.900 10.264 48 HB VAL 26 HB VAL 26 3.087 7.907 7.750 49 HG11 VAL 26 HG11 VAL 26 3.973 5.966 9.029 50 HG12 VAL 26 HG12 VAL 26 2.336 5.268 9.048 51 HG13 VAL 26 HG13 VAL 26 3.180 5.529 7.515 52 HG21 VAL 26 HG21 VAL 26 0.376 6.618 8.248 53 HG22 VAL 26 HG22 VAL 26 0.638 8.244 7.573 54 HG23 VAL 26 HG23 VAL 26 1.203 6.817 6.697 55 HA PRO 27 HA PRO 27 2.455 12.223 9.861 56 HB2 PRO 27 HB2 PRO 27 4.548 13.208 8.394 57 HB3 PRO 27 HB3 PRO 27 4.733 12.584 10.061 58 HG2 PRO 27 HG2 PRO 27 5.237 11.103 7.457 59 HG3 PRO 27 HG3 PRO 27 6.320 11.235 8.881 60 HD2 PRO 27 HD2 PRO 27 4.722 9.082 8.525 61 HD3 PRO 27 HD3 PRO 27 4.977 9.764 10.155 62 H ILE 28 H ILE 28 1.640 13.821 8.482 63 HA ILE 28 HA ILE 28 0.186 13.023 6.189 64 HB ILE 28 HB ILE 28 -0.427 14.866 7.667 65 HG12 ILE 28 HG12 ILE 28 -0.131 15.894 4.816 66 HG13 ILE 28 HG13 ILE 28 -1.279 14.636 5.291 67 HG21 ILE 28 HG21 ILE 28 0.616 17.067 7.555 68 HG22 ILE 28 HG22 ILE 28 1.848 15.886 7.976 69 HG23 ILE 28 HG23 ILE 28 1.759 16.519 6.318 70 HD11 ILE 28 HD11 ILE 28 -2.348 16.219 6.894 71 HD12 ILE 28 HD12 ILE 28 -1.260 17.506 6.312 72 HD13 ILE 28 HD13 ILE 28 -2.425 16.763 5.205 73 H GLY 29 H GLY 29 3.438 14.235 6.399 74 HA2 GLY 29 HA2 GLY 29 3.719 14.870 3.556 75 HA3 GLY 29 HA3 GLY 29 4.967 14.954 4.792 76 H TRP 30 H TRP 30 3.527 11.816 4.854 77 HA TRP 30 HA TRP 30 5.927 10.554 3.922 78 HB2 TRP 30 HB2 TRP 30 4.357 9.618 5.614 79 HB3 TRP 30 HB3 TRP 30 3.147 9.391 4.352 80 HD1 TRP 30 HD1 TRP 30 3.409 7.337 2.800 81 HE1 TRP 30 HE1 TRP 30 5.103 5.409 2.526 82 HE3 TRP 30 HE3 TRP 30 6.898 8.880 6.184 83 HZ2 TRP 30 HZ2 TRP 30 7.681 4.684 3.607 84 HZ3 TRP 30 HZ3 TRP 30 8.985 7.561 6.545 85 HH2 TRP 30 HH2 TRP 30 9.391 5.483 5.250 86 H SER 31 H SER 31 6.191 9.140 2.130 87 HA SER 31 HA SER 31 5.051 10.106 -0.401 88 HB2 SER 31 HB2 SER 31 7.463 9.567 -0.064 89 HB3 SER 31 HB3 SER 31 7.033 7.848 0.023 90 HG SER 31 HG SER 31 7.622 8.530 -2.111 91 H GLU 32 H GLU 32 2.890 9.517 0.237 92 HA GLU 32 HA GLU 32 1.944 6.756 0.193 93 HB2 GLU 32 HB2 GLU 32 0.423 9.309 -0.496 94 HB3 GLU 32 HB3 GLU 32 -0.271 7.728 -0.122 95 HG2 GLU 32 HG2 GLU 32 0.723 7.871 2.169 96 HG3 GLU 32 HG3 GLU 32 1.236 9.519 1.811 97 HA PRO 33 HA PRO 33 2.013 6.078 -4.227 98 HB2 PRO 33 HB2 PRO 33 -0.006 4.286 -4.637 99 HB3 PRO 33 HB3 PRO 33 1.494 3.895 -3.747 100 HG2 PRO 33 HG2 PRO 33 -1.182 4.739 -2.582 101 HG3 PRO 33 HG3 PRO 33 -0.192 3.314 -2.130 102 HD2 PRO 33 HD2 PRO 33 -0.059 5.625 -0.727 103 HD3 PRO 33 HD3 PRO 33 1.413 4.660 -1.035 104 H VAL 34 H VAL 34 0.826 6.343 -6.223 105 HA VAL 34 HA VAL 34 -1.252 8.464 -6.101 106 HB VAL 34 HB VAL 34 0.753 8.937 -7.351 107 HG11 VAL 34 HG11 VAL 34 1.268 6.680 -8.273 108 HG12 VAL 34 HG12 VAL 34 -0.128 6.832 -9.364 109 HG13 VAL 34 HG13 VAL 34 1.245 7.944 -9.513 110 HG21 VAL 34 HG21 VAL 34 -1.380 10.038 -7.923 111 HG22 VAL 34 HG22 VAL 34 -0.311 9.874 -9.324 112 HG23 VAL 34 HG23 VAL 34 -1.698 8.784 -9.147 113 H LYS 35 H LYS 35 -3.254 8.199 -6.731 114 HA LYS 35 HA LYS 35 -4.347 5.541 -7.248 115 HB2 LYS 35 HB2 LYS 35 -5.436 7.534 -5.967 116 HB3 LYS 35 HB3 LYS 35 -5.830 8.175 -7.571 117 HG2 LYS 35 HG2 LYS 35 -6.880 5.838 -8.021 118 HG3 LYS 35 HG3 LYS 35 -6.706 5.562 -6.287 119 HD2 LYS 35 HD2 LYS 35 -8.212 7.910 -7.488 120 HD3 LYS 35 HD3 LYS 35 -8.985 6.372 -7.146 121 HE2 LYS 35 HE2 LYS 35 -7.466 7.944 -5.012 122 HE3 LYS 35 HE3 LYS 35 -9.165 8.269 -5.374 123 HZ1 LYS 35 HZ1 LYS 35 -8.118 5.640 -4.483 124 HZ2 LYS 35 HZ2 LYS 35 -9.690 5.981 -4.796 125 HZ3 LYS 35 HZ3 LYS 35 -8.933 6.699 -3.544 126 H GLY 36 H GLY 36 -4.868 4.612 -9.165 127 HA2 GLY 36 HA2 GLY 36 -4.108 5.800 -11.699 128 HA3 GLY 36 HA3 GLY 36 -4.877 4.242 -11.451 129 H LEU 37 H LEU 37 -6.904 6.285 -9.926 130 HA LEU 37 HA LEU 37 -8.959 7.181 -10.272 131 HB2 LEU 37 HB2 LEU 37 -7.616 8.215 -12.791 132 HB3 LEU 37 HB3 LEU 37 -9.129 8.831 -12.161 133 HG LEU 37 HG LEU 37 -6.558 8.916 -10.534 134 HD11 LEU 37 HD11 LEU 37 -7.772 11.061 -12.324 135 HD12 LEU 37 HD12 LEU 37 -6.251 10.189 -12.618 136 HD13 LEU 37 HD13 LEU 37 -6.389 11.271 -11.223 137 HD21 LEU 37 HD21 LEU 37 -9.148 10.520 -10.340 138 HD22 LEU 37 HD22 LEU 37 -7.737 10.645 -9.268 139 HD23 LEU 37 HD23 LEU 37 -8.719 9.174 -9.277 140 H CYS 38 H CYS 38 -8.371 4.483 -11.771 141 HA CYS 38 HA CYS 38 -10.381 4.643 -13.921 142 HB2 CYS 38 HB2 CYS 38 -9.568 2.670 -14.778 143 HB3 CYS 38 HB3 CYS 38 -8.164 3.549 -14.248 144 H LYS 39 H LYS 39 -11.695 2.653 -14.290 145 HA LYS 39 HA LYS 39 -13.771 2.555 -12.276 146 HB2 LYS 39 HB2 LYS 39 -15.053 1.361 -13.933 147 HB3 LYS 39 HB3 LYS 39 -14.239 2.739 -14.660 148 HG2 LYS 39 HG2 LYS 39 -12.467 1.200 -15.541 149 HG3 LYS 39 HG3 LYS 39 -13.364 -0.183 -14.920 150 HD2 LYS 39 HD2 LYS 39 -14.635 1.803 -16.862 151 HD3 LYS 39 HD3 LYS 39 -13.568 0.525 -17.415 152 HE2 LYS 39 HE2 LYS 39 -15.729 -0.315 -17.716 153 HE3 LYS 39 HE3 LYS 39 -15.038 -1.192 -16.352 154 HZ1 LYS 39 HZ1 LYS 39 -16.943 1.086 -16.122 155 HZ2 LYS 39 HZ2 LYS 39 -16.370 0.198 -14.867 156 HZ3 LYS 39 HZ3 LYS 39 -17.349 -0.485 -15.972 157 H ALA 40 H ALA 40 -11.047 0.755 -12.185 158 HA ALA 40 HA ALA 40 -12.382 -1.718 -11.156 159 HB1 ALA 40 HB1 ALA 40 -9.546 -1.316 -12.190 160 HB2 ALA 40 HB2 ALA 40 -10.264 -2.847 -11.647 161 HB3 ALA 40 HB3 ALA 40 -10.893 -2.042 -13.096 162 H ARG 41 H ARG 41 -11.700 -2.661 -9.254 163 HA ARG 41 HA ARG 41 -10.221 -0.961 -7.265 164 HB2 ARG 41 HB2 ARG 41 -12.597 -2.784 -6.819 165 HB3 ARG 41 HB3 ARG 41 -11.727 -1.896 -5.571 166 HG2 ARG 41 HG2 ARG 41 -13.211 -0.575 -7.894 167 HG3 ARG 41 HG3 ARG 41 -13.931 -0.905 -6.338 168 HD2 ARG 41 HD2 ARG 41 -11.480 0.857 -6.755 169 HD3 ARG 41 HD3 ARG 41 -13.120 1.465 -6.653 170 HE ARG 41 HE ARG 41 -11.433 0.643 -4.429 171 HH11 ARG 41 HH11 ARG 41 -14.793 1.073 -5.309 172 HH12 ARG 41 HH12 ARG 41 -15.299 1.208 -3.648 173 HH21 ARG 41 HH21 ARG 41 -12.133 0.818 -2.354 174 HH22 ARG 41 HH22 ARG 41 -13.826 1.045 -2.024 175 H PHE 42 H PHE 42 -8.362 -1.987 -7.959 176 HA PHE 42 HA PHE 42 -7.808 -4.824 -7.423 177 HB2 PHE 42 HB2 PHE 42 -5.839 -2.533 -7.752 178 HB3 PHE 42 HB3 PHE 42 -5.497 -4.246 -7.930 179 HD1 PHE 42 HD2 PHE 42 -7.660 -5.240 -9.694 180 HD2 PHE 42 HD1 PHE 42 -5.406 -1.560 -9.848 181 HE1 PHE 42 HE2 PHE 42 -8.108 -5.060 -12.120 182 HE2 PHE 42 HE1 PHE 42 -5.878 -1.377 -12.274 183 HZ PHE 42 HZ PHE 42 -7.230 -3.126 -13.413 184 H THR 43 H THR 43 -5.934 -5.348 -5.886 185 HA THR 43 HA THR 43 -6.081 -3.791 -3.325 186 HB THR 43 HB THR 43 -5.873 -6.818 -3.479 187 HG1 THR 43 HG1 THR 43 -8.040 -6.791 -2.804 188 HG21 THR 43 HG21 THR 43 -6.479 -6.677 -1.090 189 HG22 THR 43 HG22 THR 43 -6.541 -4.907 -1.196 190 HG23 THR 43 HG23 THR 43 -4.997 -5.765 -1.403 191 H ARG 44 H ARG 44 -4.153 -2.965 -2.915 192 HA ARG 44 HA ARG 44 -1.627 -4.524 -3.486 193 HB2 ARG 44 HB2 ARG 44 -2.111 -1.521 -3.585 194 HB3 ARG 44 HB3 ARG 44 -0.523 -2.278 -3.688 195 HG2 ARG 44 HG2 ARG 44 -2.766 -2.610 -5.726 196 HG3 ARG 44 HG3 ARG 44 -1.369 -1.547 -5.852 197 HD2 ARG 44 HD2 ARG 44 -0.719 -3.342 -7.139 198 HD3 ARG 44 HD3 ARG 44 0.099 -3.644 -5.600 199 HE ARG 44 HE ARG 44 -2.398 -5.005 -5.558 200 HH11 ARG 44 HH11 ARG 44 0.657 -5.277 -7.204 201 HH12 ARG 44 HH12 ARG 44 0.651 -7.018 -7.117 202 HH21 ARG 44 HH21 ARG 44 -2.485 -7.132 -5.643 203 HH22 ARG 44 HH22 ARG 44 -1.267 -8.057 -6.495 204 H TYR 45 H TYR 45 0.100 -4.169 -2.021 205 HA TYR 45 HA TYR 45 -0.697 -3.194 0.696 206 HB2 TYR 45 HB2 TYR 45 0.948 -5.650 -0.005 207 HB3 TYR 45 HB3 TYR 45 0.623 -5.048 1.616 208 HD1 TYR 45 HD1 TYR 45 -1.792 -4.973 2.466 209 HD2 TYR 45 HD2 TYR 45 -0.675 -7.036 -1.160 210 HE1 TYR 45 HE1 TYR 45 -3.927 -6.268 2.519 211 HE2 TYR 45 HE2 TYR 45 -2.775 -8.345 -1.070 212 HH TYR 45 HH TYR 45 -4.712 -8.764 0.088 213 H TYR 46 H TYR 46 0.500 -1.548 1.350 214 HA TYR 46 HA TYR 46 3.268 -1.203 0.240 215 HB2 TYR 46 HB2 TYR 46 1.115 0.846 0.903 216 HB3 TYR 46 HB3 TYR 46 2.792 1.260 0.629 217 HD1 TYR 46 HD2 TYR 46 -0.277 -0.061 -1.017 218 HD2 TYR 46 HD1 TYR 46 3.733 1.434 -1.568 219 HE1 TYR 46 HE2 TYR 46 -0.761 0.360 -3.428 220 HE2 TYR 46 HE1 TYR 46 3.247 1.820 -3.984 221 HH TYR 46 HH TYR 46 0.024 1.181 -5.389 222 H CYS 47 H CYS 47 4.845 -1.230 1.716 223 HA CYS 47 HA CYS 47 4.323 -0.891 4.594 224 HB2 CYS 47 HB2 CYS 47 6.108 -2.418 3.931 225 HB3 CYS 47 HB3 CYS 47 6.929 -1.103 3.069 226 H MET 48 H MET 48 3.971 1.037 5.404 227 HA MET 48 HA MET 48 5.079 3.535 4.193 228 HB2 MET 48 HB2 MET 48 3.012 3.258 6.396 229 HB3 MET 48 HB3 MET 48 3.487 4.713 5.488 230 HG2 MET 48 HG2 MET 48 2.631 3.613 3.395 231 HG3 MET 48 HG3 MET 48 2.070 2.263 4.384 232 HE1 MET 48 HE1 MET 48 0.171 6.439 4.050 233 HE2 MET 48 HE2 MET 48 1.897 6.255 4.433 234 HE3 MET 48 HE3 MET 48 1.252 5.669 2.877 235 H GLY 49 H GLY 49 7.180 2.520 4.910 236 HA2 GLY 49 HA2 GLY 49 9.087 3.138 6.108 237 HA3 GLY 49 HA3 GLY 49 8.091 3.843 7.376 238 H ASN 50 H ASN 50 6.781 2.094 8.610 239 HA ASN 50 HA ASN 50 8.372 -0.391 9.118 240 HB2 ASN 50 HB2 ASN 50 8.562 0.079 11.473 241 HB3 ASN 50 HB3 ASN 50 9.226 1.431 10.573 242 HD21 ASN 50 HD21 ASN 50 6.467 0.356 12.552 243 HD22 ASN 50 HD22 ASN 50 5.941 1.994 12.938 244 H CYS 51 H CYS 51 5.459 0.453 8.203 245 HA CYS 51 HA CYS 51 4.087 -1.797 9.518 246 HB2 CYS 51 HB2 CYS 51 3.769 0.303 10.890 247 HB3 CYS 51 HB3 CYS 51 2.958 1.028 9.507 248 H CYS 52 H CYS 52 2.327 -2.542 8.242 249 HA CYS 52 HA CYS 52 2.422 -1.651 5.379 250 HB2 CYS 52 HB2 CYS 52 1.675 -4.311 6.608 251 HB3 CYS 52 HB3 CYS 52 1.359 -3.884 4.937 252 H LYS 53 H LYS 53 0.761 -0.755 4.431 253 HA LYS 53 HA LYS 53 -2.009 -1.036 5.560 254 HB2 LYS 53 HB2 LYS 53 -1.086 1.213 5.933 255 HB3 LYS 53 HB3 LYS 53 -0.712 1.374 4.213 256 HG2 LYS 53 HG2 LYS 53 -3.092 1.269 3.646 257 HG3 LYS 53 HG3 LYS 53 -3.532 1.012 5.336 258 HD2 LYS 53 HD2 LYS 53 -2.111 3.479 4.237 259 HD3 LYS 53 HD3 LYS 53 -3.851 3.368 4.428 260 HE2 LYS 53 HE2 LYS 53 -1.884 3.065 6.743 261 HE3 LYS 53 HE3 LYS 53 -2.604 4.598 6.260 262 HZ1 LYS 53 HZ1 LYS 53 -4.156 2.232 7.170 263 HZ2 LYS 53 HZ2 LYS 53 -4.807 3.648 6.680 264 HZ3 LYS 53 HZ3 LYS 53 -3.898 3.598 8.029 265 H VAL 54 H VAL 54 -3.578 -1.605 4.232 266 HA VAL 54 HA VAL 54 -2.972 -2.487 1.493 267 HB VAL 54 HB VAL 54 -4.351 -3.847 3.021 268 HG11 VAL 54 HG11 VAL 54 -6.570 -1.811 2.593 269 HG12 VAL 54 HG12 VAL 54 -6.675 -3.356 3.453 270 HG13 VAL 54 HG13 VAL 54 -5.686 -2.049 4.120 271 HG21 VAL 54 HG21 VAL 54 -4.477 -4.143 0.580 272 HG22 VAL 54 HG22 VAL 54 -6.007 -4.524 1.381 273 HG23 VAL 54 HG23 VAL 54 -5.827 -2.993 0.506 274 H TYR 55 H TYR 55 -3.715 -1.593 -0.364 275 HA TYR 55 HA TYR 55 -5.246 0.984 -0.279 276 HB2 TYR 55 HB2 TYR 55 -2.683 0.307 -1.723 277 HB3 TYR 55 HB3 TYR 55 -3.805 1.467 -2.405 278 HD1 TYR 55 HD1 TYR 55 -1.679 0.808 0.616 279 HD2 TYR 55 HD2 TYR 55 -4.032 3.684 -1.579 280 HE1 TYR 55 HE1 TYR 55 -0.762 2.651 2.027 281 HE2 TYR 55 HE2 TYR 55 -3.138 5.509 -0.147 282 HH TYR 55 HH TYR 55 -1.816 6.048 1.656 283 H GLU 56 H GLU 56 -6.979 1.045 -1.482 284 HA GLU 56 HA GLU 56 -7.526 -1.057 -3.522 285 HB2 GLU 56 HB2 GLU 56 -9.318 -0.243 -1.209 286 HB3 GLU 56 HB3 GLU 56 -9.794 -1.287 -2.553 287 HG2 GLU 56 HG2 GLU 56 -8.040 -2.925 -1.888 288 HG3 GLU 56 HG3 GLU 56 -7.611 -1.891 -0.521 289 H GLY 57 H GLY 57 -7.595 0.177 -5.362 290 HA2 GLY 57 HA2 GLY 57 -9.636 1.893 -6.175 291 HA3 GLY 57 HA3 GLY 57 -8.573 2.938 -5.252 292 H CYS 58 H CYS 58 -8.304 0.478 -7.836 293 HA CYS 58 HA CYS 58 -6.932 0.302 -9.655 294 HB2 CYS 58 HB2 CYS 58 -8.604 2.072 -10.243 295 HB3 CYS 58 HB3 CYS 58 -7.376 3.284 -9.877 296 H TYR 59 H TYR 59 -5.325 0.049 -7.619 297 HA TYR 59 HA TYR 59 -2.880 1.694 -8.176 298 HB2 TYR 59 HB2 TYR 59 -3.608 0.021 -5.742 299 HB3 TYR 59 HB3 TYR 59 -2.067 0.817 -6.002 300 HD1 TYR 59 HD2 TYR 59 -1.873 3.310 -5.967 301 HD2 TYR 59 HD1 TYR 59 -5.552 1.277 -5.020 302 HE1 TYR 59 HE2 TYR 59 -2.726 5.373 -4.843 303 HE2 TYR 59 HE1 TYR 59 -6.417 3.346 -3.923 304 HH TYR 59 HH TYR 59 -5.831 5.449 -3.110 305 H THR 60 H THR 60 -1.103 0.691 -8.956 306 HA THR 60 HA THR 60 -1.043 -2.303 -9.199 307 HB THR 60 HB THR 60 0.070 -1.981 -11.395 308 HG1 THR 60 HG1 THR 60 0.783 0.081 -11.390 309 HG21 THR 60 HG21 THR 60 -1.934 -1.468 -12.661 310 HG22 THR 60 HG22 THR 60 -2.691 -0.700 -11.253 311 HG23 THR 60 HG23 THR 60 -2.367 -2.449 -11.249 312 H GLY 61 H GLY 61 0.689 0.399 -8.046 313 HA2 GLY 61 HA2 GLY 61 3.371 -0.812 -8.137 314 HA3 GLY 61 HA3 GLY 61 2.891 0.689 -7.337 315 H GLY 62 H GLY 62 4.465 -0.488 -5.767 316 HA2 GLY 62 HA2 GLY 62 4.686 -1.292 -3.592 317 HA3 GLY 62 HA3 GLY 62 2.928 -1.420 -3.488 318 H TYR 63 H TYR 63 3.461 -3.371 -2.236 319 HA TYR 63 HA TYR 63 4.551 -5.699 -3.697 320 HB2 TYR 63 HB2 TYR 63 3.682 -5.283 -0.814 321 HB3 TYR 63 HB3 TYR 63 4.335 -6.778 -1.461 322 HD1 TYR 63 HD1 TYR 63 6.716 -6.920 -2.220 323 HD2 TYR 63 HD2 TYR 63 5.133 -3.376 -0.334 324 HE1 TYR 63 HE1 TYR 63 9.032 -6.143 -1.719 325 HE2 TYR 63 HE2 TYR 63 7.454 -2.611 0.171 326 HH TYR 63 HH TYR 63 9.688 -3.055 -0.037 327 H SER 64 H SER 64 3.423 -7.540 -4.146 328 HA SER 64 HA SER 64 0.564 -7.335 -4.574 329 HB2 SER 64 HB2 SER 64 2.532 -9.616 -4.986 330 HB3 SER 64 HB3 SER 64 0.823 -9.681 -5.460 331 HG SER 64 HG SER 64 2.358 -8.983 -7.131 332 H ARG 65 H ARG 65 2.316 -8.449 -1.852 333 HA ARG 65 HA ARG 65 -0.117 -9.714 -0.709 334 HB2 ARG 65 HB2 ARG 65 2.105 -11.156 -1.615 335 HB3 ARG 65 HB3 ARG 65 2.487 -10.928 0.090 336 HG2 ARG 65 HG2 ARG 65 0.268 -11.877 0.691 337 HG3 ARG 65 HG3 ARG 65 -0.108 -12.016 -1.034 338 HD2 ARG 65 HD2 ARG 65 0.569 -14.200 -0.255 339 HD3 ARG 65 HD3 ARG 65 1.820 -13.563 -1.327 340 HE ARG 65 HE ARG 65 2.146 -13.228 1.623 341 HH11 ARG 65 HH11 ARG 65 3.159 -15.080 -1.163 342 HH12 ARG 65 HH12 ARG 65 4.563 -15.708 -0.345 343 HH21 ARG 65 HH21 ARG 65 3.958 -14.068 2.610 344 HH22 ARG 65 HH22 ARG 65 4.995 -15.130 1.713 345 H MET 66 H MET 66 -0.423 -9.471 1.455 346 HA MET 66 HA MET 66 0.738 -7.296 2.877 347 HB2 MET 66 HB2 MET 66 -1.511 -8.394 3.236 348 HB3 MET 66 HB3 MET 66 -0.684 -9.712 4.070 349 HG2 MET 66 HG2 MET 66 0.229 -8.087 5.707 350 HG3 MET 66 HG3 MET 66 -0.584 -6.768 4.866 351 HE1 MET 66 HE1 MET 66 -3.073 -6.182 5.043 352 HE2 MET 66 HE2 MET 66 -3.540 -7.727 4.280 353 HE3 MET 66 HE3 MET 66 -4.316 -7.212 5.789 354 H GLY 67 H GLY 67 1.734 -10.665 2.682 355 HA2 GLY 67 HA2 GLY 67 3.726 -10.483 4.837 356 HA3 GLY 67 HA3 GLY 67 3.546 -11.800 3.690 357 H GLU 68 H GLU 68 3.759 -9.861 1.349 358 HA GLU 68 HA GLU 68 6.649 -10.063 1.035 359 HB2 GLU 68 HB2 GLU 68 4.437 -8.958 -0.717 360 HB3 GLU 68 HB3 GLU 68 6.136 -8.887 -1.172 361 HG2 GLU 68 HG2 GLU 68 4.642 -11.466 -0.555 362 HG3 GLU 68 HG3 GLU 68 4.882 -10.799 -2.166 363 H CYS 69 H CYS 69 4.417 -7.345 1.708 364 HA CYS 69 HA CYS 69 6.570 -5.376 1.726 365 HB2 CYS 69 HB2 CYS 69 4.986 -3.876 2.693 366 HB3 CYS 69 HB3 CYS 69 4.194 -4.793 1.427 367 H ALA 70 H ALA 70 4.995 -7.330 4.276 368 HA ALA 70 HA ALA 70 6.372 -6.246 6.473 369 HB1 ALA 70 HB1 ALA 70 5.479 -8.195 7.679 370 HB2 ALA 70 HB2 ALA 70 4.261 -7.514 6.587 371 HB3 ALA 70 HB3 ALA 70 5.120 -9.007 6.141 372 H ARG 71 H ARG 71 7.295 -9.118 4.516 373 HA ARG 71 HA ARG 71 9.556 -9.863 6.138 374 HB2 ARG 71 HB2 ARG 71 10.205 -11.317 4.363 375 HB3 ARG 71 HB3 ARG 71 8.443 -11.339 4.453 376 HG2 ARG 71 HG2 ARG 71 8.403 -9.658 2.573 377 HG3 ARG 71 HG3 ARG 71 10.150 -9.836 2.405 378 HD2 ARG 71 HD2 ARG 71 8.142 -12.105 2.115 379 HD3 ARG 71 HD3 ARG 71 8.792 -11.129 0.784 380 HE ARG 71 HE ARG 71 10.934 -12.282 2.337 381 HH11 ARG 71 HH11 ARG 71 8.613 -13.119 -0.170 382 HH12 ARG 71 HH12 ARG 71 9.674 -14.334 -0.847 383 HH21 ARG 71 HH21 ARG 71 12.218 -13.841 1.422 384 HH22 ARG 71 HH22 ARG 71 11.650 -14.732 0.042 385 H ASN 72 H ASN 72 9.267 -7.409 3.695 386 HA ASN 72 HA ASN 72 12.186 -7.006 3.422 387 HB2 ASN 72 HB2 ASN 72 9.718 -5.757 2.146 388 HB3 ASN 72 HB3 ASN 72 11.316 -5.034 1.978 389 HD21 ASN 72 HD21 ASN 72 9.243 -7.542 0.753 390 HD22 ASN 72 HD22 ASN 72 10.490 -8.252 -0.277 391 H CYS 73 H CYS 73 9.417 -5.181 4.788 392 HA CYS 73 HA CYS 73 11.091 -3.074 5.871 393 HB2 CYS 73 HB2 CYS 73 8.203 -3.802 5.797 394 HB3 CYS 73 HB3 CYS 73 8.697 -2.884 7.205 395 HA PRO 74 HA PRO 74 12.243 -4.670 9.815 396 HB2 PRO 74 HB2 PRO 74 12.151 -2.550 11.519 397 HB3 PRO 74 HB3 PRO 74 13.262 -2.615 10.118 398 HG2 PRO 74 HG2 PRO 74 10.540 -1.271 10.260 399 HG3 PRO 74 HG3 PRO 74 12.093 -0.556 9.715 400 HD2 PRO 74 HD2 PRO 74 10.310 -1.574 7.952 401 HD3 PRO 74 HD3 PRO 74 12.064 -1.792 7.702 402 H GLY 75 H GLY 75 9.003 -3.757 9.416 403 HA2 GLY 75 HA2 GLY 75 8.052 -5.355 11.711 404 HA3 GLY 75 HA3 GLY 75 7.495 -3.681 11.606 Start of MODEL 7 1 H1 GLY 19 H1 GLY 19 13.197 1.195 24.306 2 H2 GLY 19 H2 GLY 19 14.515 0.568 23.563 3 H3 GLY 19 H3 GLY 19 14.654 1.935 24.457 4 HA2 GLY 19 HA2 GLY 19 13.285 3.172 22.911 5 HA3 GLY 19 HA3 GLY 19 14.698 2.465 22.105 6 H ASP 20 H ASP 20 11.242 2.486 22.344 7 HA ASP 20 HA ASP 20 10.921 0.322 20.304 8 HB2 ASP 20 HB2 ASP 20 9.425 0.610 22.941 9 HB3 ASP 20 HB3 ASP 20 9.021 -0.518 21.651 10 H LYS 21 H LYS 21 10.299 1.547 18.646 11 HA LYS 21 HA LYS 21 7.934 3.394 18.890 12 HB2 LYS 21 HB2 LYS 21 10.567 3.973 17.482 13 HB3 LYS 21 HB3 LYS 21 9.107 4.971 17.363 14 HG2 LYS 21 HG2 LYS 21 9.148 5.198 19.882 15 HG3 LYS 21 HG3 LYS 21 10.752 4.463 19.878 16 HD2 LYS 21 HD2 LYS 21 10.023 7.026 18.372 17 HD3 LYS 21 HD3 LYS 21 10.665 6.965 20.004 18 HE2 LYS 21 HE2 LYS 21 12.558 7.407 18.784 19 HE3 LYS 21 HE3 LYS 21 12.675 5.672 19.068 20 HZ1 LYS 21 HZ1 LYS 21 11.695 6.942 16.556 21 HZ2 LYS 21 HZ2 LYS 21 11.865 5.329 16.783 22 HZ3 LYS 21 HZ3 LYS 21 13.175 6.294 16.757 23 H GLU 22 H GLU 22 8.899 0.682 17.501 24 HA GLU 22 HA GLU 22 8.231 0.876 14.747 25 HB2 GLU 22 HB2 GLU 22 8.130 -1.596 16.528 26 HB3 GLU 22 HB3 GLU 22 8.215 -1.562 14.769 27 HG2 GLU 22 HG2 GLU 22 10.396 -1.957 15.219 28 HG3 GLU 22 HG3 GLU 22 10.423 -0.202 15.107 29 H GLU 23 H GLU 23 6.017 1.804 16.696 30 HA GLU 23 HA GLU 23 3.693 0.132 16.383 31 HB2 GLU 23 HB2 GLU 23 3.913 3.130 16.906 32 HB3 GLU 23 HB3 GLU 23 2.459 2.144 17.103 33 HG2 GLU 23 HG2 GLU 23 3.677 0.767 18.818 34 HG3 GLU 23 HG3 GLU 23 5.043 1.882 18.698 35 H CYS 24 H CYS 24 1.865 0.471 15.111 36 HA CYS 24 HA CYS 24 2.351 1.250 12.352 37 HB2 CYS 24 HB2 CYS 24 0.899 -0.690 13.164 38 HB3 CYS 24 HB3 CYS 24 -0.306 0.515 13.617 39 H THR 25 H THR 25 2.615 3.383 11.971 40 HA THR 25 HA THR 25 0.268 5.144 12.324 41 HB THR 25 HB THR 25 1.644 5.624 14.281 42 HG1 THR 25 HG1 THR 25 1.751 7.836 13.929 43 HG21 THR 25 HG21 THR 25 3.825 6.523 12.345 44 HG22 THR 25 HG22 THR 25 3.913 5.103 13.413 45 HG23 THR 25 HG23 THR 25 3.822 6.724 14.109 46 H VAL 26 H VAL 26 0.298 6.984 10.973 47 HA VAL 26 HA VAL 26 2.107 6.984 8.619 48 HB VAL 26 HB VAL 26 -0.888 6.857 8.184 49 HG11 VAL 26 HG11 VAL 26 -0.180 6.583 5.810 50 HG12 VAL 26 HG12 VAL 26 0.360 8.127 6.471 51 HG13 VAL 26 HG13 VAL 26 1.516 6.792 6.302 52 HG21 VAL 26 HG21 VAL 26 1.205 4.683 7.879 53 HG22 VAL 26 HG22 VAL 26 -0.266 4.638 8.868 54 HG23 VAL 26 HG23 VAL 26 -0.397 4.632 7.107 55 HA PRO 27 HA PRO 27 1.057 11.259 10.004 56 HB2 PRO 27 HB2 PRO 27 3.500 12.412 9.639 57 HB3 PRO 27 HB3 PRO 27 3.128 11.377 11.051 58 HG2 PRO 27 HG2 PRO 27 4.522 10.577 8.474 59 HG3 PRO 27 HG3 PRO 27 5.045 10.258 10.160 60 HD2 PRO 27 HD2 PRO 27 3.676 8.418 8.666 61 HD3 PRO 27 HD3 PRO 27 3.430 8.557 10.434 62 H ILE 28 H ILE 28 0.983 13.288 8.825 63 HA ILE 28 HA ILE 28 0.512 13.085 5.992 64 HB ILE 28 HB ILE 28 -0.651 14.658 7.483 65 HG12 ILE 28 HG12 ILE 28 0.792 16.136 5.245 66 HG13 ILE 28 HG13 ILE 28 -0.480 14.938 4.980 67 HG21 ILE 28 HG21 ILE 28 1.318 15.378 8.867 68 HG22 ILE 28 HG22 ILE 28 1.907 16.322 7.484 69 HG23 ILE 28 HG23 ILE 28 0.364 16.728 8.258 70 HD11 ILE 28 HD11 ILE 28 -0.799 17.577 6.463 71 HD12 ILE 28 HD12 ILE 28 -1.441 17.150 4.869 72 HD13 ILE 28 HD13 ILE 28 -2.061 16.328 6.315 73 H GLY 29 H GLY 29 1.691 13.916 4.261 74 HA2 GLY 29 HA2 GLY 29 3.533 14.734 3.081 75 HA3 GLY 29 HA3 GLY 29 4.408 14.982 4.585 76 H TRP 30 H TRP 30 3.355 11.793 4.664 77 HA TRP 30 HA TRP 30 5.890 10.580 3.970 78 HB2 TRP 30 HB2 TRP 30 4.284 9.603 5.572 79 HB3 TRP 30 HB3 TRP 30 3.108 9.384 4.283 80 HD1 TRP 30 HD1 TRP 30 3.504 7.417 2.573 81 HE1 TRP 30 HE1 TRP 30 4.965 5.293 2.599 82 HE3 TRP 30 HE3 TRP 30 6.590 8.603 6.483 83 HZ2 TRP 30 HZ2 TRP 30 7.169 4.253 4.115 84 HZ3 TRP 30 HZ3 TRP 30 8.367 7.016 7.203 85 HH2 TRP 30 HH2 TRP 30 8.668 4.847 6.031 86 H SER 31 H SER 31 6.301 9.134 2.206 87 HA SER 31 HA SER 31 5.330 10.070 -0.396 88 HB2 SER 31 HB2 SER 31 7.720 9.508 0.156 89 HB3 SER 31 HB3 SER 31 7.263 7.799 0.163 90 HG SER 31 HG SER 31 7.122 9.683 -1.992 91 H GLU 32 H GLU 32 3.135 9.436 0.261 92 HA GLU 32 HA GLU 32 2.225 6.679 0.054 93 HB2 GLU 32 HB2 GLU 32 -0.030 7.690 -0.161 94 HB3 GLU 32 HB3 GLU 32 0.878 8.303 1.219 95 HG2 GLU 32 HG2 GLU 32 1.368 10.386 0.035 96 HG3 GLU 32 HG3 GLU 32 0.623 9.763 -1.439 97 HA PRO 33 HA PRO 33 2.034 6.288 -4.416 98 HB2 PRO 33 HB2 PRO 33 0.102 4.416 -4.781 99 HB3 PRO 33 HB3 PRO 33 1.652 4.052 -3.977 100 HG2 PRO 33 HG2 PRO 33 -0.995 4.752 -2.650 101 HG3 PRO 33 HG3 PRO 33 0.050 3.335 -2.319 102 HD2 PRO 33 HD2 PRO 33 0.194 5.589 -0.818 103 HD3 PRO 33 HD3 PRO 33 1.667 4.663 -1.226 104 H VAL 34 H VAL 34 0.377 6.314 -6.266 105 HA VAL 34 HA VAL 34 -1.794 8.310 -5.770 106 HB VAL 34 HB VAL 34 0.153 9.167 -7.064 107 HG11 VAL 34 HG11 VAL 34 -0.885 7.389 -9.313 108 HG12 VAL 34 HG12 VAL 34 0.422 8.587 -9.408 109 HG13 VAL 34 HG13 VAL 34 0.635 7.127 -8.427 110 HG21 VAL 34 HG21 VAL 34 -1.179 10.358 -8.697 111 HG22 VAL 34 HG22 VAL 34 -2.487 9.169 -8.573 112 HG23 VAL 34 HG23 VAL 34 -2.080 10.205 -7.183 113 H LYS 35 H LYS 35 -3.758 7.961 -6.570 114 HA LYS 35 HA LYS 35 -4.620 5.275 -7.266 115 HB2 LYS 35 HB2 LYS 35 -5.913 7.138 -6.019 116 HB3 LYS 35 HB3 LYS 35 -6.193 7.864 -7.602 117 HG2 LYS 35 HG2 LYS 35 -7.186 5.551 -8.269 118 HG3 LYS 35 HG3 LYS 35 -7.122 5.155 -6.553 119 HD2 LYS 35 HD2 LYS 35 -8.638 7.489 -7.805 120 HD3 LYS 35 HD3 LYS 35 -9.345 5.939 -7.338 121 HE2 LYS 35 HE2 LYS 35 -8.688 6.341 -4.970 122 HE3 LYS 35 HE3 LYS 35 -7.970 7.891 -5.427 123 HZ1 LYS 35 HZ1 LYS 35 -10.850 7.209 -5.698 124 HZ2 LYS 35 HZ2 LYS 35 -10.183 8.640 -6.123 125 HZ3 LYS 35 HZ3 LYS 35 -10.213 8.186 -4.558 126 H GLY 36 H GLY 36 -5.285 4.463 -9.228 127 HA2 GLY 36 HA2 GLY 36 -4.185 5.683 -11.675 128 HA3 GLY 36 HA3 GLY 36 -4.944 4.112 -11.548 129 H LEU 37 H LEU 37 -7.199 6.037 -10.196 130 HA LEU 37 HA LEU 37 -9.277 6.753 -10.776 131 HB2 LEU 37 HB2 LEU 37 -7.604 8.097 -12.917 132 HB3 LEU 37 HB3 LEU 37 -9.325 8.337 -12.848 133 HG LEU 37 HG LEU 37 -8.179 10.172 -11.855 134 HD11 LEU 37 HD11 LEU 37 -9.430 10.386 -9.799 135 HD12 LEU 37 HD12 LEU 37 -9.675 8.634 -9.700 136 HD13 LEU 37 HD13 LEU 37 -10.422 9.566 -11.014 137 HD21 LEU 37 HD21 LEU 37 -7.186 8.339 -9.656 138 HD22 LEU 37 HD22 LEU 37 -6.952 10.090 -9.789 139 HD23 LEU 37 HD23 LEU 37 -6.182 9.008 -10.961 140 H CYS 38 H CYS 38 -8.368 4.144 -11.978 141 HA CYS 38 HA CYS 38 -9.783 3.816 -14.498 142 HB2 CYS 38 HB2 CYS 38 -8.983 1.620 -12.580 143 HB3 CYS 38 HB3 CYS 38 -9.179 1.492 -14.317 144 H LYS 39 H LYS 39 -11.480 2.147 -14.801 145 HA LYS 39 HA LYS 39 -13.798 2.349 -13.031 146 HB2 LYS 39 HB2 LYS 39 -13.186 0.509 -15.388 147 HB3 LYS 39 HB3 LYS 39 -14.734 0.572 -14.535 148 HG2 LYS 39 HG2 LYS 39 -14.966 2.975 -15.091 149 HG3 LYS 39 HG3 LYS 39 -13.462 2.928 -16.009 150 HD2 LYS 39 HD2 LYS 39 -15.934 1.241 -16.602 151 HD3 LYS 39 HD3 LYS 39 -15.564 2.762 -17.400 152 HE2 LYS 39 HE2 LYS 39 -13.763 0.297 -17.494 153 HE3 LYS 39 HE3 LYS 39 -14.981 0.686 -18.706 154 HZ1 LYS 39 HZ1 LYS 39 -12.645 2.408 -18.064 155 HZ2 LYS 39 HZ2 LYS 39 -13.799 2.761 -19.166 156 HZ3 LYS 39 HZ3 LYS 39 -12.813 1.486 -19.397 157 H ALA 40 H ALA 40 -11.349 -0.156 -13.586 158 HA ALA 40 HA ALA 40 -12.447 -2.072 -11.714 159 HB1 ALA 40 HB1 ALA 40 -11.036 -2.701 -13.649 160 HB2 ALA 40 HB2 ALA 40 -9.656 -1.832 -12.935 161 HB3 ALA 40 HB3 ALA 40 -10.323 -3.266 -12.129 162 H ARG 41 H ARG 41 -11.484 -2.808 -9.777 163 HA ARG 41 HA ARG 41 -9.741 -0.930 -8.225 164 HB2 ARG 41 HB2 ARG 41 -12.267 -2.250 -7.166 165 HB3 ARG 41 HB3 ARG 41 -11.085 -1.324 -6.226 166 HG2 ARG 41 HG2 ARG 41 -11.589 0.663 -7.709 167 HG3 ARG 41 HG3 ARG 41 -12.892 -0.300 -8.439 168 HD2 ARG 41 HD2 ARG 41 -13.824 -0.651 -6.103 169 HD3 ARG 41 HD3 ARG 41 -12.616 0.515 -5.517 170 HE ARG 41 HE ARG 41 -14.152 1.528 -7.746 171 HH11 ARG 41 HH11 ARG 41 -14.416 1.107 -4.285 172 HH12 ARG 41 HH12 ARG 41 -15.602 2.372 -4.114 173 HH21 ARG 41 HH21 ARG 41 -15.669 3.138 -7.475 174 HH22 ARG 41 HH22 ARG 41 -16.295 3.488 -5.890 175 H PHE 42 H PHE 42 -7.985 -2.207 -8.608 176 HA PHE 42 HA PHE 42 -7.713 -4.979 -7.796 177 HB2 PHE 42 HB2 PHE 42 -5.532 -2.870 -7.866 178 HB3 PHE 42 HB3 PHE 42 -5.342 -4.607 -8.043 179 HD1 PHE 42 HD1 PHE 42 -7.573 -5.093 -10.148 180 HD2 PHE 42 HD2 PHE 42 -4.436 -2.143 -9.816 181 HE1 PHE 42 HE1 PHE 42 -7.590 -4.791 -12.603 182 HE2 PHE 42 HE2 PHE 42 -4.458 -1.851 -12.278 183 HZ PHE 42 HZ PHE 42 -6.041 -3.167 -13.674 184 H THR 43 H THR 43 -6.028 -5.525 -6.030 185 HA THR 43 HA THR 43 -6.258 -3.777 -3.607 186 HB THR 43 HB THR 43 -6.159 -6.811 -3.479 187 HG1 THR 43 HG1 THR 43 -8.149 -6.129 -4.340 188 HG21 THR 43 HG21 THR 43 -5.325 -5.601 -1.471 189 HG22 THR 43 HG22 THR 43 -6.855 -6.428 -1.146 190 HG23 THR 43 HG23 THR 43 -6.845 -4.674 -1.416 191 H ARG 44 H ARG 44 -4.324 -2.962 -3.218 192 HA ARG 44 HA ARG 44 -1.863 -4.697 -3.407 193 HB2 ARG 44 HB2 ARG 44 -2.126 -1.707 -3.954 194 HB3 ARG 44 HB3 ARG 44 -0.589 -2.549 -3.735 195 HG2 ARG 44 HG2 ARG 44 -2.548 -2.944 -6.002 196 HG3 ARG 44 HG3 ARG 44 -0.915 -2.271 -6.047 197 HD2 ARG 44 HD2 ARG 44 -0.353 -4.687 -4.951 198 HD3 ARG 44 HD3 ARG 44 -1.796 -5.145 -5.850 199 HE ARG 44 HE ARG 44 0.838 -4.345 -6.775 200 HH11 ARG 44 HH11 ARG 44 -2.444 -4.797 -7.872 201 HH12 ARG 44 HH12 ARG 44 -1.995 -5.112 -9.525 202 HH21 ARG 44 HH21 ARG 44 1.378 -4.664 -8.946 203 HH22 ARG 44 HH22 ARG 44 0.146 -5.076 -10.104 204 H TYR 45 H TYR 45 -0.188 -4.089 -1.919 205 HA TYR 45 HA TYR 45 -1.096 -2.697 0.560 206 HB2 TYR 45 HB2 TYR 45 0.549 -5.248 0.409 207 HB3 TYR 45 HB3 TYR 45 0.169 -4.349 1.872 208 HD1 TYR 45 HD2 TYR 45 -1.216 -6.530 -0.796 209 HD2 TYR 45 HD1 TYR 45 -2.089 -4.437 2.882 210 HE1 TYR 45 HE2 TYR 45 -3.308 -7.852 -0.536 211 HE2 TYR 45 HE1 TYR 45 -4.166 -5.782 3.141 212 HH TYR 45 HH TYR 45 -5.498 -7.417 2.264 213 H TYR 46 H TYR 46 0.316 -1.252 1.356 214 HA TYR 46 HA TYR 46 3.062 -1.055 0.157 215 HB2 TYR 46 HB2 TYR 46 0.989 1.131 0.629 216 HB3 TYR 46 HB3 TYR 46 2.684 1.457 0.358 217 HD1 TYR 46 HD2 TYR 46 -0.337 -0.072 -1.285 218 HD2 TYR 46 HD1 TYR 46 3.570 1.680 -1.813 219 HE1 TYR 46 HE2 TYR 46 -0.788 0.214 -3.727 220 HE2 TYR 46 HE1 TYR 46 3.124 1.938 -4.240 221 HH TYR 46 HH TYR 46 1.524 1.878 -5.874 222 H CYS 47 H CYS 47 4.677 -0.602 1.628 223 HA CYS 47 HA CYS 47 4.069 -0.535 4.497 224 HB2 CYS 47 HB2 CYS 47 6.062 -1.687 3.712 225 HB3 CYS 47 HB3 CYS 47 6.677 -0.187 2.999 226 H MET 48 H MET 48 3.832 1.207 5.717 227 HA MET 48 HA MET 48 4.141 3.944 4.529 228 HB2 MET 48 HB2 MET 48 1.948 2.905 6.346 229 HB3 MET 48 HB3 MET 48 2.094 4.550 5.720 230 HG2 MET 48 HG2 MET 48 1.615 2.053 4.079 231 HG3 MET 48 HG3 MET 48 0.434 3.286 4.482 232 HE1 MET 48 HE1 MET 48 0.234 5.600 3.473 233 HE2 MET 48 HE2 MET 48 1.873 6.082 3.958 234 HE3 MET 48 HE3 MET 48 1.338 6.310 2.279 235 H GLY 49 H GLY 49 5.628 2.158 6.730 236 HA2 GLY 49 HA2 GLY 49 7.326 3.482 8.082 237 HA3 GLY 49 HA3 GLY 49 5.957 4.333 8.790 238 H ASN 50 H ASN 50 7.779 1.384 8.738 239 HA ASN 50 HA ASN 50 7.898 -0.501 9.988 240 HB2 ASN 50 HB2 ASN 50 6.695 1.216 12.190 241 HB3 ASN 50 HB3 ASN 50 7.577 -0.288 12.403 242 HD21 ASN 50 HD21 ASN 50 9.846 -0.222 12.538 243 HD22 ASN 50 HD22 ASN 50 10.717 1.289 12.320 244 H CYS 51 H CYS 51 5.140 0.234 8.723 245 HA CYS 51 HA CYS 51 3.673 -2.179 9.470 246 HB2 CYS 51 HB2 CYS 51 3.067 -0.355 11.122 247 HB3 CYS 51 HB3 CYS 51 2.498 0.621 9.768 248 H CYS 52 H CYS 52 1.771 -2.385 7.925 249 HA CYS 52 HA CYS 52 2.144 -0.816 5.409 250 HB2 CYS 52 HB2 CYS 52 1.181 -3.679 5.595 251 HB3 CYS 52 HB3 CYS 52 1.451 -2.745 4.129 252 H LYS 53 H LYS 53 0.329 -0.523 4.092 253 HA LYS 53 HA LYS 53 -2.385 -0.701 5.349 254 HB2 LYS 53 HB2 LYS 53 -1.510 1.567 5.647 255 HB3 LYS 53 HB3 LYS 53 -1.140 1.688 3.924 256 HG2 LYS 53 HG2 LYS 53 -3.472 1.625 3.328 257 HG3 LYS 53 HG3 LYS 53 -3.965 1.267 4.988 258 HD2 LYS 53 HD2 LYS 53 -2.563 3.842 4.127 259 HD3 LYS 53 HD3 LYS 53 -4.320 3.640 4.203 260 HE2 LYS 53 HE2 LYS 53 -4.106 3.004 6.632 261 HE3 LYS 53 HE3 LYS 53 -2.384 3.391 6.548 262 HZ1 LYS 53 HZ1 LYS 53 -3.670 5.280 7.370 263 HZ2 LYS 53 HZ2 LYS 53 -4.607 5.301 6.038 264 HZ3 LYS 53 HZ3 LYS 53 -3.025 5.682 5.919 265 H VAL 54 H VAL 54 -4.020 -1.195 3.974 266 HA VAL 54 HA VAL 54 -3.340 -2.282 1.327 267 HB VAL 54 HB VAL 54 -4.865 -3.442 2.925 268 HG11 VAL 54 HG11 VAL 54 -6.211 -1.474 3.671 269 HG12 VAL 54 HG12 VAL 54 -6.968 -1.430 2.057 270 HG13 VAL 54 HG13 VAL 54 -7.184 -2.843 3.106 271 HG21 VAL 54 HG21 VAL 54 -6.400 -4.254 1.229 272 HG22 VAL 54 HG22 VAL 54 -6.087 -2.839 0.206 273 HG23 VAL 54 HG23 VAL 54 -4.794 -4.016 0.532 274 H TYR 55 H TYR 55 -4.036 -1.526 -0.615 275 HA TYR 55 HA TYR 55 -5.364 1.145 -0.795 276 HB2 TYR 55 HB2 TYR 55 -2.713 0.248 -1.935 277 HB3 TYR 55 HB3 TYR 55 -3.680 1.449 -2.763 278 HD1 TYR 55 HD1 TYR 55 -4.112 3.654 -1.864 279 HD2 TYR 55 HD2 TYR 55 -1.699 0.822 0.312 280 HE1 TYR 55 HE1 TYR 55 -3.296 5.484 -0.400 281 HE2 TYR 55 HE2 TYR 55 -0.856 2.671 1.764 282 HH TYR 55 HH TYR 55 -2.017 6.038 1.397 283 H GLU 56 H GLU 56 -6.979 1.214 -2.131 284 HA GLU 56 HA GLU 56 -7.422 -0.921 -4.165 285 HB2 GLU 56 HB2 GLU 56 -9.427 0.115 -2.127 286 HB3 GLU 56 HB3 GLU 56 -9.773 -1.008 -3.448 287 HG2 GLU 56 HG2 GLU 56 -8.211 -2.666 -2.437 288 HG3 GLU 56 HG3 GLU 56 -7.881 -1.546 -1.117 289 H GLY 57 H GLY 57 -7.468 0.058 -6.080 290 HA2 GLY 57 HA2 GLY 57 -9.121 1.927 -7.214 291 HA3 GLY 57 HA3 GLY 57 -8.047 2.959 -6.275 292 H CYS 58 H CYS 58 -7.645 0.128 -8.406 293 HA CYS 58 HA CYS 58 -6.243 -0.371 -10.109 294 HB2 CYS 58 HB2 CYS 58 -7.710 1.587 -10.857 295 HB3 CYS 58 HB3 CYS 58 -6.241 2.546 -10.806 296 H TYR 59 H TYR 59 -4.898 0.422 -7.562 297 HA TYR 59 HA TYR 59 -2.351 1.665 -8.124 298 HB2 TYR 59 HB2 TYR 59 -3.288 -0.159 -5.869 299 HB3 TYR 59 HB3 TYR 59 -1.728 0.643 -5.918 300 HD1 TYR 59 HD2 TYR 59 -1.525 3.091 -5.703 301 HD2 TYR 59 HD1 TYR 59 -5.320 1.101 -5.349 302 HE1 TYR 59 HE2 TYR 59 -2.516 5.147 -4.667 303 HE2 TYR 59 HE1 TYR 59 -6.330 3.184 -4.399 304 HH TYR 59 HH TYR 59 -5.940 5.314 -3.671 305 H THR 60 H THR 60 -0.498 0.799 -8.874 306 HA THR 60 HA THR 60 -0.270 -2.175 -9.239 307 HB THR 60 HB THR 60 0.842 -1.731 -11.420 308 HG1 THR 60 HG1 THR 60 -0.395 0.802 -11.325 309 HG21 THR 60 HG21 THR 60 -2.037 -0.747 -11.272 310 HG22 THR 60 HG22 THR 60 -1.522 -2.445 -11.325 311 HG23 THR 60 HG23 THR 60 -1.194 -1.377 -12.702 312 H GLY 61 H GLY 61 1.360 0.614 -8.085 313 HA2 GLY 61 HA2 GLY 61 4.077 -0.373 -8.551 314 HA3 GLY 61 HA3 GLY 61 3.608 1.072 -7.671 315 H GLY 62 H GLY 62 1.777 -1.082 -6.145 316 HA2 GLY 62 HA2 GLY 62 3.733 -1.483 -3.943 317 HA3 GLY 62 HA3 GLY 62 1.982 -1.489 -3.808 318 H TYR 63 H TYR 63 3.204 -3.314 -2.475 319 HA TYR 63 HA TYR 63 3.860 -5.806 -3.749 320 HB2 TYR 63 HB2 TYR 63 3.050 -5.138 -0.889 321 HB3 TYR 63 HB3 TYR 63 3.715 -6.669 -1.418 322 HD1 TYR 63 HD2 TYR 63 6.094 -6.835 -2.198 323 HD2 TYR 63 HD1 TYR 63 4.478 -3.198 -0.531 324 HE1 TYR 63 HE2 TYR 63 8.404 -5.999 -1.766 325 HE2 TYR 63 HE1 TYR 63 6.788 -2.366 -0.111 326 HH TYR 63 HH TYR 63 9.022 -2.772 -0.347 327 H SER 64 H SER 64 2.658 -7.647 -4.037 328 HA SER 64 HA SER 64 -0.170 -7.403 -4.435 329 HB2 SER 64 HB2 SER 64 1.546 -9.912 -4.349 330 HB3 SER 64 HB3 SER 64 -0.077 -9.767 -5.055 331 HG SER 64 HG SER 64 1.571 -9.560 -6.644 332 H ARG 65 H ARG 65 1.642 -8.446 -1.617 333 HA ARG 65 HA ARG 65 -0.875 -9.115 -0.158 334 HB2 ARG 65 HB2 ARG 65 1.681 -10.793 -0.145 335 HB3 ARG 65 HB3 ARG 65 0.251 -11.066 0.853 336 HG2 ARG 65 HG2 ARG 65 -1.098 -11.464 -1.216 337 HG3 ARG 65 HG3 ARG 65 0.379 -11.272 -2.184 338 HD2 ARG 65 HD2 ARG 65 1.421 -13.157 -0.940 339 HD3 ARG 65 HD3 ARG 65 -0.112 -13.405 -0.076 340 HE ARG 65 HE ARG 65 -0.686 -13.413 -2.854 341 HH11 ARG 65 HH11 ARG 65 1.039 -15.486 -0.635 342 HH12 ARG 65 HH12 ARG 65 0.806 -16.901 -1.628 343 HH21 ARG 65 HH21 ARG 65 -0.944 -15.231 -4.082 344 HH22 ARG 65 HH22 ARG 65 -0.298 -16.748 -3.533 345 H MET 66 H MET 66 -0.794 -8.752 2.065 346 HA MET 66 HA MET 66 1.020 -6.790 3.109 347 HB2 MET 66 HB2 MET 66 -1.302 -7.282 3.923 348 HB3 MET 66 HB3 MET 66 -0.692 -8.755 4.684 349 HG2 MET 66 HG2 MET 66 0.851 -7.412 6.064 350 HG3 MET 66 HG3 MET 66 0.313 -5.935 5.269 351 HE1 MET 66 HE1 MET 66 -3.239 -5.332 6.715 352 HE2 MET 66 HE2 MET 66 -1.906 -4.695 5.730 353 HE3 MET 66 HE3 MET 66 -2.855 -6.087 5.157 354 H GLY 67 H GLY 67 1.134 -10.332 3.122 355 HA2 GLY 67 HA2 GLY 67 3.335 -10.707 4.907 356 HA3 GLY 67 HA3 GLY 67 2.865 -11.801 3.607 357 H GLU 68 H GLU 68 3.319 -9.561 1.555 358 HA GLU 68 HA GLU 68 6.180 -10.104 1.125 359 HB2 GLU 68 HB2 GLU 68 4.051 -8.718 -0.521 360 HB3 GLU 68 HB3 GLU 68 5.740 -8.804 -1.018 361 HG2 GLU 68 HG2 GLU 68 4.094 -11.291 -0.406 362 HG3 GLU 68 HG3 GLU 68 4.143 -10.533 -1.992 363 H CYS 69 H CYS 69 4.187 -7.150 1.678 364 HA CYS 69 HA CYS 69 6.422 -5.348 1.620 365 HB2 CYS 69 HB2 CYS 69 4.972 -3.733 2.606 366 HB3 CYS 69 HB3 CYS 69 4.038 -4.672 1.449 367 H ALA 70 H ALA 70 5.044 -7.295 4.249 368 HA ALA 70 HA ALA 70 6.697 -6.302 6.363 369 HB1 ALA 70 HB1 ALA 70 5.154 -8.920 6.084 370 HB2 ALA 70 HB2 ALA 70 5.739 -8.203 7.601 371 HB3 ALA 70 HB3 ALA 70 4.490 -7.372 6.658 372 H ARG 71 H ARG 71 7.667 -8.348 3.781 373 HA ARG 71 HA ARG 71 9.922 -9.613 5.256 374 HB2 ARG 71 HB2 ARG 71 9.309 -9.331 2.268 375 HB3 ARG 71 HB3 ARG 71 10.784 -10.060 2.916 376 HG2 ARG 71 HG2 ARG 71 9.423 -11.638 4.232 377 HG3 ARG 71 HG3 ARG 71 7.956 -11.039 3.457 378 HD2 ARG 71 HD2 ARG 71 8.647 -11.852 1.298 379 HD3 ARG 71 HD3 ARG 71 10.296 -12.131 1.861 380 HE ARG 71 HE ARG 71 9.592 -13.998 3.168 381 HH11 ARG 71 HH11 ARG 71 7.011 -13.026 0.941 382 HH12 ARG 71 HH12 ARG 71 6.098 -14.455 1.331 383 HH21 ARG 71 HH21 ARG 71 8.385 -15.784 3.507 384 HH22 ARG 71 HH22 ARG 71 6.866 -15.979 2.690 385 H ASN 72 H ASN 72 9.370 -6.873 3.240 386 HA ASN 72 HA ASN 72 12.170 -5.968 3.194 387 HB2 ASN 72 HB2 ASN 72 9.577 -4.836 2.044 388 HB3 ASN 72 HB3 ASN 72 11.150 -4.053 1.875 389 HD21 ASN 72 HD21 ASN 72 9.228 -6.921 0.851 390 HD22 ASN 72 HD22 ASN 72 10.426 -7.385 -0.346 391 H CYS 73 H CYS 73 9.138 -4.541 4.507 392 HA CYS 73 HA CYS 73 10.627 -2.689 6.259 393 HB2 CYS 73 HB2 CYS 73 7.741 -3.234 5.576 394 HB3 CYS 73 HB3 CYS 73 8.104 -2.450 7.101 395 HA PRO 74 HA PRO 74 10.900 -5.376 9.733 396 HB2 PRO 74 HB2 PRO 74 10.779 -3.745 11.907 397 HB3 PRO 74 HB3 PRO 74 12.087 -3.637 10.690 398 HG2 PRO 74 HG2 PRO 74 9.557 -1.970 10.842 399 HG3 PRO 74 HG3 PRO 74 11.250 -1.393 10.690 400 HD2 PRO 74 HD2 PRO 74 9.626 -1.674 8.530 401 HD3 PRO 74 HD3 PRO 74 11.372 -2.054 8.433 402 H GLY 75 H GLY 75 7.900 -3.911 9.152 403 HA2 GLY 75 HA2 GLY 75 6.339 -5.955 10.444 404 HA3 GLY 75 HA3 GLY 75 6.162 -4.387 11.246 Start of MODEL 8 1 H1 GLY 19 H1 GLY 19 -6.766 -5.187 15.513 2 H2 GLY 19 H2 GLY 19 -7.278 -6.336 16.563 3 H3 GLY 19 H3 GLY 19 -8.356 -5.298 15.894 4 HA2 GLY 19 HA2 GLY 19 -7.357 -3.426 17.038 5 HA3 GLY 19 HA3 GLY 19 -7.947 -4.662 18.165 6 H ASP 20 H ASP 20 -5.615 -2.585 18.086 7 HA ASP 20 HA ASP 20 -3.692 -4.321 19.495 8 HB2 ASP 20 HB2 ASP 20 -3.057 -3.852 16.962 9 HB3 ASP 20 HB3 ASP 20 -2.598 -2.266 17.564 10 H LYS 21 H LYS 21 -2.056 -2.889 20.659 11 HA LYS 21 HA LYS 21 -3.544 -0.883 22.254 12 HB2 LYS 21 HB2 LYS 21 -2.176 -2.746 23.231 13 HB3 LYS 21 HB3 LYS 21 -0.716 -1.975 22.602 14 HG2 LYS 21 HG2 LYS 21 -1.104 -0.001 23.993 15 HG3 LYS 21 HG3 LYS 21 -2.669 -0.618 24.524 16 HD2 LYS 21 HD2 LYS 21 0.039 -1.912 25.079 17 HD3 LYS 21 HD3 LYS 21 -0.823 -0.875 26.209 18 HE2 LYS 21 HE2 LYS 21 -1.837 -3.560 25.161 19 HE3 LYS 21 HE3 LYS 21 -1.046 -3.302 26.713 20 HZ1 LYS 21 HZ1 LYS 21 -3.637 -2.086 25.915 21 HZ2 LYS 21 HZ2 LYS 21 -2.879 -1.818 27.340 22 HZ3 LYS 21 HZ3 LYS 21 -3.441 -3.305 26.978 23 H GLU 22 H GLU 22 -1.053 -0.898 19.811 24 HA GLU 22 HA GLU 22 -0.922 2.081 19.848 25 HB2 GLU 22 HB2 GLU 22 1.043 1.159 21.017 26 HB3 GLU 22 HB3 GLU 22 1.450 0.186 19.598 27 HG2 GLU 22 HG2 GLU 22 1.760 2.228 18.263 28 HG3 GLU 22 HG3 GLU 22 1.228 3.225 19.619 29 H GLU 23 H GLU 23 -1.786 2.735 18.013 30 HA GLU 23 HA GLU 23 -1.930 1.103 15.597 31 HB2 GLU 23 HB2 GLU 23 -3.098 3.028 14.642 32 HB3 GLU 23 HB3 GLU 23 -3.818 2.485 16.142 33 HG2 GLU 23 HG2 GLU 23 -1.877 4.827 16.130 34 HG3 GLU 23 HG3 GLU 23 -3.547 5.035 15.634 35 H CYS 24 H CYS 24 -1.355 2.002 13.482 36 HA CYS 24 HA CYS 24 1.415 3.136 13.454 37 HB2 CYS 24 HB2 CYS 24 0.218 0.740 12.225 38 HB3 CYS 24 HB3 CYS 24 1.120 1.744 11.096 39 H THR 25 H THR 25 0.976 5.241 13.217 40 HA THR 25 HA THR 25 -0.501 6.203 10.807 41 HB THR 25 HB THR 25 -0.693 8.340 12.042 42 HG1 THR 25 HG1 THR 25 -0.184 8.331 14.255 43 HG21 THR 25 HG21 THR 25 -1.743 5.991 13.683 44 HG22 THR 25 HG22 THR 25 -2.513 6.646 12.220 45 HG23 THR 25 HG23 THR 25 -2.368 7.652 13.672 46 H VAL 26 H VAL 26 0.305 8.247 9.891 47 HA VAL 26 HA VAL 26 3.206 8.791 10.053 48 HB VAL 26 HB VAL 26 3.260 8.870 7.496 49 HG11 VAL 26 HG11 VAL 26 2.980 6.094 8.678 50 HG12 VAL 26 HG12 VAL 26 3.909 6.589 7.248 51 HG13 VAL 26 HG13 VAL 26 4.408 7.138 8.849 52 HG21 VAL 26 HG21 VAL 26 0.874 6.995 7.657 53 HG22 VAL 26 HG22 VAL 26 0.817 8.676 7.075 54 HG23 VAL 26 HG23 VAL 26 1.789 7.476 6.219 55 HA PRO 27 HA PRO 27 1.747 12.960 9.420 56 HB2 PRO 27 HB2 PRO 27 3.837 14.216 8.166 57 HB3 PRO 27 HB3 PRO 27 3.902 13.677 9.871 58 HG2 PRO 27 HG2 PRO 27 4.937 12.206 7.421 59 HG3 PRO 27 HG3 PRO 27 5.811 12.559 8.948 60 HD2 PRO 27 HD2 PRO 27 4.620 10.169 8.547 61 HD3 PRO 27 HD3 PRO 27 4.547 10.953 10.147 62 H ILE 28 H ILE 28 1.030 14.468 7.824 63 HA ILE 28 HA ILE 28 -0.151 13.391 5.502 64 HB ILE 28 HB ILE 28 -0.981 15.322 6.732 65 HG12 ILE 28 HG12 ILE 28 -0.474 16.123 3.840 66 HG13 ILE 28 HG13 ILE 28 -1.590 14.838 4.315 67 HG21 ILE 28 HG21 ILE 28 1.248 16.961 5.438 68 HG22 ILE 28 HG22 ILE 28 -0.036 17.561 6.501 69 HG23 ILE 28 HG23 ILE 28 1.199 16.490 7.151 70 HD11 ILE 28 HD11 ILE 28 -1.826 17.774 5.091 71 HD12 ILE 28 HD12 ILE 28 -2.836 16.879 3.947 72 HD13 ILE 28 HD13 ILE 28 -2.893 16.472 5.673 73 H GLY 29 H GLY 29 3.024 14.762 5.847 74 HA2 GLY 29 HA2 GLY 29 3.502 15.103 2.969 75 HA3 GLY 29 HA3 GLY 29 4.628 15.427 4.278 76 H TRP 30 H TRP 30 3.388 12.231 4.637 77 HA TRP 30 HA TRP 30 5.929 11.027 4.108 78 HB2 TRP 30 HB2 TRP 30 4.234 10.246 5.751 79 HB3 TRP 30 HB3 TRP 30 3.185 9.752 4.426 80 HD1 TRP 30 HD1 TRP 30 3.888 7.594 3.069 81 HE1 TRP 30 HE1 TRP 30 5.589 5.700 3.432 82 HE3 TRP 30 HE3 TRP 30 6.452 9.590 7.004 83 HZ2 TRP 30 HZ2 TRP 30 7.789 5.136 5.216 84 HZ3 TRP 30 HZ3 TRP 30 8.344 8.341 8.045 85 HH2 TRP 30 HH2 TRP 30 9.022 6.126 7.154 86 H SER 31 H SER 31 6.503 9.464 2.552 87 HA SER 31 HA SER 31 5.704 9.961 -0.190 88 HB2 SER 31 HB2 SER 31 7.522 7.840 1.012 89 HB3 SER 31 HB3 SER 31 7.341 8.194 -0.719 90 HG SER 31 HG SER 31 9.140 9.289 0.208 91 H GLU 32 H GLU 32 3.496 9.449 -0.259 92 HA GLU 32 HA GLU 32 2.724 6.569 -0.096 93 HB2 GLU 32 HB2 GLU 32 0.412 7.387 0.045 94 HB3 GLU 32 HB3 GLU 32 1.428 8.025 1.329 95 HG2 GLU 32 HG2 GLU 32 1.570 10.190 0.196 96 HG3 GLU 32 HG3 GLU 32 0.703 9.555 -1.205 97 HA PRO 33 HA PRO 33 2.333 6.276 -4.481 98 HB2 PRO 33 HB2 PRO 33 0.400 4.392 -4.863 99 HB3 PRO 33 HB3 PRO 33 1.960 4.035 -4.068 100 HG2 PRO 33 HG2 PRO 33 -0.679 4.738 -2.715 101 HG3 PRO 33 HG3 PRO 33 0.351 3.308 -2.405 102 HD2 PRO 33 HD2 PRO 33 0.555 5.488 -0.869 103 HD3 PRO 33 HD3 PRO 33 2.030 4.618 -1.376 104 H VAL 34 H VAL 34 0.827 6.356 -6.376 105 HA VAL 34 HA VAL 34 -1.335 8.376 -6.014 106 HB VAL 34 HB VAL 34 0.559 8.920 -7.517 107 HG11 VAL 34 HG11 VAL 34 0.851 6.682 -8.604 108 HG12 VAL 34 HG12 VAL 34 -0.695 6.924 -9.447 109 HG13 VAL 34 HG13 VAL 34 0.673 8.011 -9.763 110 HG21 VAL 34 HG21 VAL 34 -0.805 9.946 -9.235 111 HG22 VAL 34 HG22 VAL 34 -2.161 8.867 -8.865 112 HG23 VAL 34 HG23 VAL 34 -1.615 10.063 -7.665 113 H LYS 35 H LYS 35 -3.361 7.994 -6.552 114 HA LYS 35 HA LYS 35 -4.358 5.273 -6.967 115 HB2 LYS 35 HB2 LYS 35 -5.464 7.189 -5.647 116 HB3 LYS 35 HB3 LYS 35 -5.899 7.893 -7.204 117 HG2 LYS 35 HG2 LYS 35 -7.049 5.643 -7.723 118 HG3 LYS 35 HG3 LYS 35 -6.764 5.204 -6.042 119 HD2 LYS 35 HD2 LYS 35 -8.343 7.637 -6.989 120 HD3 LYS 35 HD3 LYS 35 -9.055 6.079 -6.555 121 HE2 LYS 35 HE2 LYS 35 -8.129 6.285 -4.255 122 HE3 LYS 35 HE3 LYS 35 -7.405 7.842 -4.678 123 HZ1 LYS 35 HZ1 LYS 35 -9.532 8.136 -3.549 124 HZ2 LYS 35 HZ2 LYS 35 -10.322 7.270 -4.681 125 HZ3 LYS 35 HZ3 LYS 35 -9.649 8.710 -5.070 126 H GLY 36 H GLY 36 -5.304 4.413 -8.816 127 HA2 GLY 36 HA2 GLY 36 -4.435 5.507 -11.411 128 HA3 GLY 36 HA3 GLY 36 -5.232 3.973 -11.139 129 H LEU 37 H LEU 37 -7.354 5.773 -9.622 130 HA LEU 37 HA LEU 37 -9.541 6.285 -10.061 131 HB2 LEU 37 HB2 LEU 37 -8.157 8.205 -11.973 132 HB3 LEU 37 HB3 LEU 37 -9.875 8.223 -11.611 133 HG LEU 37 HG LEU 37 -9.159 8.390 -9.103 134 HD11 LEU 37 HD11 LEU 37 -6.712 9.570 -10.501 135 HD12 LEU 37 HD12 LEU 37 -6.709 8.147 -9.445 136 HD13 LEU 37 HD13 LEU 37 -7.109 9.731 -8.775 137 HD21 LEU 37 HD21 LEU 37 -9.175 10.846 -9.305 138 HD22 LEU 37 HD22 LEU 37 -10.397 10.095 -10.341 139 HD23 LEU 37 HD23 LEU 37 -8.887 10.705 -11.057 140 H CYS 38 H CYS 38 -9.225 3.965 -11.037 141 HA CYS 38 HA CYS 38 -10.290 3.819 -13.834 142 HB2 CYS 38 HB2 CYS 38 -9.442 1.533 -12.050 143 HB3 CYS 38 HB3 CYS 38 -9.707 1.479 -13.784 144 H LYS 39 H LYS 39 -11.910 2.019 -14.190 145 HA LYS 39 HA LYS 39 -14.334 2.349 -12.620 146 HB2 LYS 39 HB2 LYS 39 -13.599 0.328 -14.785 147 HB3 LYS 39 HB3 LYS 39 -15.220 0.573 -14.124 148 HG2 LYS 39 HG2 LYS 39 -15.246 2.902 -14.953 149 HG3 LYS 39 HG3 LYS 39 -13.596 2.735 -15.543 150 HD2 LYS 39 HD2 LYS 39 -15.006 2.499 -17.442 151 HD3 LYS 39 HD3 LYS 39 -14.314 0.924 -17.085 152 HE2 LYS 39 HE2 LYS 39 -16.591 0.559 -17.665 153 HE3 LYS 39 HE3 LYS 39 -16.468 0.287 -15.928 154 HZ1 LYS 39 HZ1 LYS 39 -17.467 2.783 -17.207 155 HZ2 LYS 39 HZ2 LYS 39 -17.391 2.532 -15.593 156 HZ3 LYS 39 HZ3 LYS 39 -18.406 1.647 -16.512 157 H ALA 40 H ALA 40 -11.809 -0.099 -12.654 158 HA ALA 40 HA ALA 40 -13.189 -1.802 -10.653 159 HB1 ALA 40 HB1 ALA 40 -10.539 -2.155 -12.127 160 HB2 ALA 40 HB2 ALA 40 -11.350 -3.372 -11.120 161 HB3 ALA 40 HB3 ALA 40 -12.105 -2.834 -12.630 162 H ARG 41 H ARG 41 -11.937 -2.619 -8.825 163 HA ARG 41 HA ARG 41 -9.942 -0.742 -7.612 164 HB2 ARG 41 HB2 ARG 41 -12.329 -1.918 -6.149 165 HB3 ARG 41 HB3 ARG 41 -11.010 -0.985 -5.431 166 HG2 ARG 41 HG2 ARG 41 -11.648 0.934 -6.983 167 HG3 ARG 41 HG3 ARG 41 -13.097 0.016 -7.416 168 HD2 ARG 41 HD2 ARG 41 -12.315 0.963 -4.627 169 HD3 ARG 41 HD3 ARG 41 -13.549 1.689 -5.670 170 HE ARG 41 HE ARG 41 -14.250 -1.033 -5.342 171 HH11 ARG 41 HH11 ARG 41 -14.091 1.805 -3.312 172 HH12 ARG 41 HH12 ARG 41 -15.279 1.191 -2.196 173 HH21 ARG 41 HH21 ARG 41 -15.736 -1.780 -3.878 174 HH22 ARG 41 HH22 ARG 41 -16.183 -0.791 -2.521 175 H PHE 42 H PHE 42 -8.270 -2.088 -8.107 176 HA PHE 42 HA PHE 42 -8.042 -4.853 -7.271 177 HB2 PHE 42 HB2 PHE 42 -5.784 -2.871 -7.704 178 HB3 PHE 42 HB3 PHE 42 -5.710 -4.621 -7.841 179 HD1 PHE 42 HD1 PHE 42 -8.153 -5.168 -9.573 180 HD2 PHE 42 HD2 PHE 42 -5.052 -2.166 -9.818 181 HE1 PHE 42 HE1 PHE 42 -8.546 -4.959 -12.003 182 HE2 PHE 42 HE2 PHE 42 -5.454 -1.971 -12.263 183 HZ PHE 42 HZ PHE 42 -7.208 -3.357 -13.353 184 H THR 43 H THR 43 -6.092 -5.436 -5.777 185 HA THR 43 HA THR 43 -6.144 -3.815 -3.253 186 HB THR 43 HB THR 43 -6.001 -6.849 -3.341 187 HG1 THR 43 HG1 THR 43 -8.047 -6.175 -4.034 188 HG21 THR 43 HG21 THR 43 -6.610 -4.864 -1.110 189 HG22 THR 43 HG22 THR 43 -5.077 -5.752 -1.305 190 HG23 THR 43 HG23 THR 43 -6.572 -6.633 -0.955 191 H ARG 44 H ARG 44 -4.213 -2.975 -2.944 192 HA ARG 44 HA ARG 44 -1.705 -4.576 -3.445 193 HB2 ARG 44 HB2 ARG 44 -2.116 -1.556 -3.566 194 HB3 ARG 44 HB3 ARG 44 -0.550 -2.356 -3.645 195 HG2 ARG 44 HG2 ARG 44 -2.752 -2.508 -5.726 196 HG3 ARG 44 HG3 ARG 44 -1.209 -1.657 -5.809 197 HD2 ARG 44 HD2 ARG 44 -0.591 -3.443 -7.014 198 HD3 ARG 44 HD3 ARG 44 -0.172 -4.055 -5.422 199 HE ARG 44 HE ARG 44 -2.159 -5.432 -5.441 200 HH11 ARG 44 HH11 ARG 44 -2.299 -3.446 -8.292 201 HH12 ARG 44 HH12 ARG 44 -3.196 -4.642 -9.193 202 HH21 ARG 44 HH21 ARG 44 -3.338 -6.866 -6.560 203 HH22 ARG 44 HH22 ARG 44 -3.825 -6.532 -8.200 204 H TYR 45 H TYR 45 0.085 -3.876 -2.033 205 HA TYR 45 HA TYR 45 -0.763 -2.978 0.677 206 HB2 TYR 45 HB2 TYR 45 0.942 -5.414 0.045 207 HB3 TYR 45 HB3 TYR 45 0.565 -4.795 1.646 208 HD1 TYR 45 HD1 TYR 45 -1.744 -4.958 2.592 209 HD2 TYR 45 HD2 TYR 45 -0.738 -6.709 -1.235 210 HE1 TYR 45 HE1 TYR 45 -3.795 -6.360 2.677 211 HE2 TYR 45 HE2 TYR 45 -2.801 -8.084 -1.140 212 HH TYR 45 HH TYR 45 -5.056 -7.957 1.636 213 H TYR 46 H TYR 46 0.549 -1.472 1.504 214 HA TYR 46 HA TYR 46 3.259 -1.016 0.298 215 HB2 TYR 46 HB2 TYR 46 1.058 1.005 0.867 216 HB3 TYR 46 HB3 TYR 46 2.730 1.446 0.607 217 HD1 TYR 46 HD1 TYR 46 -0.282 0.029 -1.034 218 HD2 TYR 46 HD2 TYR 46 3.711 1.552 -1.587 219 HE1 TYR 46 HE1 TYR 46 -0.734 0.353 -3.481 220 HE2 TYR 46 HE2 TYR 46 3.266 1.839 -4.020 221 HH TYR 46 HH TYR 46 1.675 1.829 -5.655 222 H CYS 47 H CYS 47 4.849 -0.791 1.747 223 HA CYS 47 HA CYS 47 4.275 -0.632 4.623 224 HB2 CYS 47 HB2 CYS 47 6.085 -2.060 3.745 225 HB3 CYS 47 HB3 CYS 47 6.937 -0.609 3.193 226 H MET 48 H MET 48 4.341 1.102 5.858 227 HA MET 48 HA MET 48 5.201 3.766 4.758 228 HB2 MET 48 HB2 MET 48 2.848 3.273 6.610 229 HB3 MET 48 HB3 MET 48 3.382 4.805 5.903 230 HG2 MET 48 HG2 MET 48 2.975 3.738 3.607 231 HG3 MET 48 HG3 MET 48 2.186 2.419 4.472 232 HE1 MET 48 HE1 MET 48 2.236 6.384 4.318 233 HE2 MET 48 HE2 MET 48 1.760 5.755 2.727 234 HE3 MET 48 HE3 MET 48 0.593 6.664 3.702 235 H GLY 49 H GLY 49 7.147 2.502 5.802 236 HA2 GLY 49 HA2 GLY 49 8.869 3.337 7.244 237 HA3 GLY 49 HA3 GLY 49 7.673 3.752 8.468 238 H ASN 50 H ASN 50 6.626 1.979 9.601 239 HA ASN 50 HA ASN 50 8.288 -0.511 9.807 240 HB2 ASN 50 HB2 ASN 50 8.169 -0.380 12.180 241 HB3 ASN 50 HB3 ASN 50 8.681 1.199 11.601 242 HD21 ASN 50 HD21 ASN 50 6.171 -0.579 13.289 243 HD22 ASN 50 HD22 ASN 50 5.196 0.841 13.654 244 H CYS 51 H CYS 51 5.309 0.368 8.838 245 HA CYS 51 HA CYS 51 4.045 -2.234 9.557 246 HB2 CYS 51 HB2 CYS 51 2.988 0.577 9.945 247 HB3 CYS 51 HB3 CYS 51 1.875 -0.729 9.579 248 H CYS 52 H CYS 52 2.747 -3.075 7.931 249 HA CYS 52 HA CYS 52 2.695 -1.635 5.319 250 HB2 CYS 52 HB2 CYS 52 3.936 -3.787 5.405 251 HB3 CYS 52 HB3 CYS 52 2.435 -4.602 5.850 252 H LYS 53 H LYS 53 0.870 -1.092 4.401 253 HA LYS 53 HA LYS 53 -1.746 -1.796 5.693 254 HB2 LYS 53 HB2 LYS 53 -0.805 0.446 6.324 255 HB3 LYS 53 HB3 LYS 53 -0.849 0.917 4.620 256 HG2 LYS 53 HG2 LYS 53 -3.312 0.555 4.615 257 HG3 LYS 53 HG3 LYS 53 -3.269 0.135 6.325 258 HD2 LYS 53 HD2 LYS 53 -2.289 2.836 5.272 259 HD3 LYS 53 HD3 LYS 53 -3.980 2.500 5.589 260 HE2 LYS 53 HE2 LYS 53 -3.330 3.560 7.517 261 HE3 LYS 53 HE3 LYS 53 -3.361 1.857 7.970 262 HZ1 LYS 53 HZ1 LYS 53 -0.929 1.842 7.779 263 HZ2 LYS 53 HZ2 LYS 53 -1.379 3.035 8.798 264 HZ3 LYS 53 HZ3 LYS 53 -0.912 3.406 7.277 265 H VAL 54 H VAL 54 -3.468 -2.094 4.368 266 HA VAL 54 HA VAL 54 -2.985 -2.754 1.578 267 HB VAL 54 HB VAL 54 -4.513 -4.006 3.083 268 HG11 VAL 54 HG11 VAL 54 -6.783 -3.283 3.463 269 HG12 VAL 54 HG12 VAL 54 -5.676 -2.091 4.168 270 HG13 VAL 54 HG13 VAL 54 -6.493 -1.753 2.621 271 HG21 VAL 54 HG21 VAL 54 -4.622 -4.260 0.635 272 HG22 VAL 54 HG22 VAL 54 -6.185 -4.517 1.421 273 HG23 VAL 54 HG23 VAL 54 -5.874 -2.998 0.561 274 H TYR 55 H TYR 55 -3.837 -1.804 -0.248 275 HA TYR 55 HA TYR 55 -5.114 0.887 -0.116 276 HB2 TYR 55 HB2 TYR 55 -2.515 0.122 -1.448 277 HB3 TYR 55 HB3 TYR 55 -3.561 1.273 -2.240 278 HD1 TYR 55 HD1 TYR 55 -1.700 0.718 0.982 279 HD2 TYR 55 HD2 TYR 55 -3.699 3.526 -1.611 280 HE1 TYR 55 HE1 TYR 55 -0.875 2.617 2.384 281 HE2 TYR 55 HE2 TYR 55 -2.854 5.409 -0.236 282 HH TYR 55 HH TYR 55 -1.721 6.017 1.636 283 H GLU 56 H GLU 56 -6.771 1.085 -1.467 284 HA GLU 56 HA GLU 56 -7.158 -0.858 -3.689 285 HB2 GLU 56 HB2 GLU 56 -9.432 0.035 -1.895 286 HB3 GLU 56 HB3 GLU 56 -9.409 -1.225 -3.113 287 HG2 GLU 56 HG2 GLU 56 -9.218 -2.624 -1.372 288 HG3 GLU 56 HG3 GLU 56 -7.516 -2.231 -1.400 289 H GLY 57 H GLY 57 -7.473 0.107 -5.576 290 HA2 GLY 57 HA2 GLY 57 -9.077 2.125 -6.485 291 HA3 GLY 57 HA3 GLY 57 -7.838 3.055 -5.652 292 H CYS 58 H CYS 58 -7.783 0.220 -7.821 293 HA CYS 58 HA CYS 58 -6.520 -0.330 -9.629 294 HB2 CYS 58 HB2 CYS 58 -8.129 1.481 -10.339 295 HB3 CYS 58 HB3 CYS 58 -6.752 2.573 -10.378 296 H TYR 59 H TYR 59 -4.923 0.250 -7.353 297 HA TYR 59 HA TYR 59 -2.527 1.738 -8.100 298 HB2 TYR 59 HB2 TYR 59 -3.172 -0.138 -5.801 299 HB3 TYR 59 HB3 TYR 59 -1.618 0.662 -6.009 300 HD1 TYR 59 HD1 TYR 59 -1.387 3.106 -5.773 301 HD2 TYR 59 HD2 TYR 59 -5.122 1.104 -5.018 302 HE1 TYR 59 HE1 TYR 59 -2.252 5.141 -4.602 303 HE2 TYR 59 HE2 TYR 59 -6.004 3.167 -3.914 304 HH TYR 59 HH TYR 59 -5.527 5.279 -3.189 305 H THR 60 H THR 60 -1.043 1.036 -9.490 306 HA THR 60 HA THR 60 -0.646 -1.880 -10.001 307 HB THR 60 HB THR 60 0.434 -1.096 -12.103 308 HG1 THR 60 HG1 THR 60 0.069 1.078 -12.672 309 HG21 THR 60 HG21 THR 60 -1.626 -0.474 -13.251 310 HG22 THR 60 HG22 THR 60 -2.402 -0.040 -11.715 311 HG23 THR 60 HG23 THR 60 -1.971 -1.731 -12.051 312 H GLY 61 H GLY 61 0.847 0.582 -8.296 313 HA2 GLY 61 HA2 GLY 61 3.625 -0.455 -8.557 314 HA3 GLY 61 HA3 GLY 61 3.105 0.975 -7.664 315 H GLY 62 H GLY 62 4.628 -0.123 -6.127 316 HA2 GLY 62 HA2 GLY 62 4.900 -0.971 -3.995 317 HA3 GLY 62 HA3 GLY 62 3.139 -1.066 -3.879 318 H TYR 63 H TYR 63 3.516 -2.943 -2.575 319 HA TYR 63 HA TYR 63 4.444 -5.403 -3.941 320 HB2 TYR 63 HB2 TYR 63 3.527 -4.958 -1.084 321 HB3 TYR 63 HB3 TYR 63 4.225 -6.417 -1.740 322 HD1 TYR 63 HD2 TYR 63 6.635 -6.427 -2.545 323 HD2 TYR 63 HD1 TYR 63 4.932 -3.103 -0.389 324 HE1 TYR 63 HE2 TYR 63 8.919 -5.663 -1.922 325 HE2 TYR 63 HE1 TYR 63 7.235 -2.340 0.237 326 HH TYR 63 HH TYR 63 10.162 -4.122 -0.793 327 H SER 64 H SER 64 3.106 -7.021 -4.558 328 HA SER 64 HA SER 64 0.269 -6.458 -4.915 329 HB2 SER 64 HB2 SER 64 0.282 -8.640 -6.098 330 HB3 SER 64 HB3 SER 64 1.523 -7.517 -6.681 331 HG SER 64 HG SER 64 2.375 -9.623 -6.359 332 H ARG 65 H ARG 65 2.053 -8.061 -2.477 333 HA ARG 65 HA ARG 65 -0.391 -9.236 -1.200 334 HB2 ARG 65 HB2 ARG 65 2.266 -10.556 -1.857 335 HB3 ARG 65 HB3 ARG 65 1.269 -11.173 -0.552 336 HG2 ARG 65 HG2 ARG 65 0.152 -10.828 -3.359 337 HG3 ARG 65 HG3 ARG 65 1.077 -12.256 -2.877 338 HD2 ARG 65 HD2 ARG 65 -0.582 -12.494 -0.910 339 HD3 ARG 65 HD3 ARG 65 -1.562 -11.280 -1.727 340 HE ARG 65 HE ARG 65 -2.190 -12.851 -3.324 341 HH11 ARG 65 HH11 ARG 65 0.467 -14.269 -1.530 342 HH12 ARG 65 HH12 ARG 65 0.222 -15.841 -2.239 343 HH21 ARG 65 HH21 ARG 65 -2.451 -14.880 -4.176 344 HH22 ARG 65 HH22 ARG 65 -1.387 -16.167 -3.692 345 H MET 66 H MET 66 -0.295 -9.484 1.027 346 HA MET 66 HA MET 66 1.176 -7.597 2.580 347 HB2 MET 66 HB2 MET 66 -1.017 -8.713 3.184 348 HB3 MET 66 HB3 MET 66 -0.106 -10.180 3.555 349 HG2 MET 66 HG2 MET 66 -0.461 -9.043 5.622 350 HG3 MET 66 HG3 MET 66 1.237 -8.842 5.225 351 HE1 MET 66 HE1 MET 66 -2.079 -7.156 6.174 352 HE2 MET 66 HE2 MET 66 -2.039 -5.587 5.341 353 HE3 MET 66 HE3 MET 66 -2.225 -7.088 4.407 354 H GLY 67 H GLY 67 1.813 -11.075 1.934 355 HA2 GLY 67 HA2 GLY 67 4.104 -11.383 3.603 356 HA3 GLY 67 HA3 GLY 67 3.764 -12.323 2.148 357 H GLU 68 H GLU 68 3.844 -10.111 0.282 358 HA GLU 68 HA GLU 68 6.682 -10.047 -0.238 359 HB2 GLU 68 HB2 GLU 68 4.334 -8.655 -1.554 360 HB3 GLU 68 HB3 GLU 68 5.995 -8.507 -2.128 361 HG2 GLU 68 HG2 GLU 68 4.512 -11.149 -1.893 362 HG3 GLU 68 HG3 GLU 68 4.610 -10.166 -3.353 363 H CYS 69 H CYS 69 4.532 -7.643 1.302 364 HA CYS 69 HA CYS 69 6.807 -5.756 1.543 365 HB2 CYS 69 HB2 CYS 69 5.343 -4.399 2.921 366 HB3 CYS 69 HB3 CYS 69 4.681 -4.728 1.331 367 H ALA 70 H ALA 70 5.013 -7.992 3.734 368 HA ALA 70 HA ALA 70 6.435 -7.282 6.074 369 HB1 ALA 70 HB1 ALA 70 4.217 -8.366 6.015 370 HB2 ALA 70 HB2 ALA 70 4.955 -9.861 5.393 371 HB3 ALA 70 HB3 ALA 70 5.351 -9.281 7.023 372 H ARG 71 H ARG 71 7.466 -9.514 3.552 373 HA ARG 71 HA ARG 71 9.574 -10.810 5.077 374 HB2 ARG 71 HB2 ARG 71 10.409 -11.587 2.990 375 HB3 ARG 71 HB3 ARG 71 8.649 -11.572 2.835 376 HG2 ARG 71 HG2 ARG 71 8.897 -9.266 1.750 377 HG3 ARG 71 HG3 ARG 71 10.644 -9.545 1.750 378 HD2 ARG 71 HD2 ARG 71 10.335 -11.528 0.324 379 HD3 ARG 71 HD3 ARG 71 8.587 -11.199 0.264 380 HE ARG 71 HE ARG 71 9.830 -8.791 -0.426 381 HH11 ARG 71 HH11 ARG 71 9.631 -11.924 -1.916 382 HH12 ARG 71 HH12 ARG 71 10.145 -11.341 -3.471 383 HH21 ARG 71 HH21 ARG 71 10.408 -8.074 -2.404 384 HH22 ARG 71 HH22 ARG 71 10.553 -9.178 -3.745 385 H ASN 72 H ASN 72 9.319 -7.629 3.755 386 HA ASN 72 HA ASN 72 12.251 -7.096 3.990 387 HB2 ASN 72 HB2 ASN 72 10.026 -5.711 2.415 388 HB3 ASN 72 HB3 ASN 72 11.661 -5.076 2.571 389 HD21 ASN 72 HD21 ASN 72 13.453 -6.882 2.008 390 HD22 ASN 72 HD22 ASN 72 13.076 -7.711 0.505 391 H CYS 73 H CYS 73 9.117 -5.474 4.695 392 HA CYS 73 HA CYS 73 10.350 -3.667 6.645 393 HB2 CYS 73 HB2 CYS 73 7.642 -4.073 5.431 394 HB3 CYS 73 HB3 CYS 73 7.681 -3.397 7.049 395 HA PRO 74 HA PRO 74 10.086 -6.182 10.179 396 HB2 PRO 74 HB2 PRO 74 9.840 -4.448 12.262 397 HB3 PRO 74 HB3 PRO 74 11.256 -4.446 11.169 398 HG2 PRO 74 HG2 PRO 74 8.788 -2.687 11.009 399 HG3 PRO 74 HG3 PRO 74 10.506 -2.171 10.999 400 HD2 PRO 74 HD2 PRO 74 9.109 -2.497 8.689 401 HD3 PRO 74 HD3 PRO 74 10.831 -2.967 8.801 402 H GLY 75 H GLY 75 7.182 -4.514 9.422 403 HA2 GLY 75 HA2 GLY 75 5.539 -5.824 11.551 404 HA3 GLY 75 HA3 GLY 75 5.055 -4.464 10.546 Start of MODEL 9 1 H1 GLY 19 H1 GLY 19 -8.945 -2.947 24.024 2 H2 GLY 19 H2 GLY 19 -8.019 -4.294 23.899 3 H3 GLY 19 H3 GLY 19 -9.096 -4.152 25.125 4 HA2 GLY 19 HA2 GLY 19 -7.881 -2.329 26.095 5 HA3 GLY 19 HA3 GLY 19 -6.861 -3.771 25.941 6 H ASP 20 H ASP 20 -4.854 -3.075 25.452 7 HA ASP 20 HA ASP 20 -4.266 -0.652 23.998 8 HB2 ASP 20 HB2 ASP 20 -2.892 -1.523 25.835 9 HB3 ASP 20 HB3 ASP 20 -2.484 -2.949 24.881 10 H LYS 21 H LYS 21 -5.436 -1.005 22.065 11 HA LYS 21 HA LYS 21 -4.758 -2.979 20.069 12 HB2 LYS 21 HB2 LYS 21 -6.196 -1.729 18.607 13 HB3 LYS 21 HB3 LYS 21 -6.930 -1.764 20.206 14 HG2 LYS 21 HG2 LYS 21 -6.039 0.554 20.631 15 HG3 LYS 21 HG3 LYS 21 -5.408 0.594 18.982 16 HD2 LYS 21 HD2 LYS 21 -8.344 0.261 19.737 17 HD3 LYS 21 HD3 LYS 21 -7.572 1.777 19.249 18 HE2 LYS 21 HE2 LYS 21 -6.967 0.748 17.050 19 HE3 LYS 21 HE3 LYS 21 -7.817 -0.728 17.523 20 HZ1 LYS 21 HZ1 LYS 21 -9.082 1.945 17.233 21 HZ2 LYS 21 HZ2 LYS 21 -9.868 0.586 17.691 22 HZ3 LYS 21 HZ3 LYS 21 -9.242 0.703 16.189 23 H GLU 22 H GLU 22 -4.178 -2.217 17.800 24 HA GLU 22 HA GLU 22 -1.915 -0.267 17.729 25 HB2 GLU 22 HB2 GLU 22 -1.971 -3.010 16.403 26 HB3 GLU 22 HB3 GLU 22 -0.769 -1.751 16.098 27 HG2 GLU 22 HG2 GLU 22 -0.107 -1.807 18.501 28 HG3 GLU 22 HG3 GLU 22 -1.247 -3.127 18.777 29 H GLU 23 H GLU 23 -1.501 0.600 15.585 30 HA GLU 23 HA GLU 23 -3.544 0.369 13.507 31 HB2 GLU 23 HB2 GLU 23 -4.188 2.691 13.490 32 HB3 GLU 23 HB3 GLU 23 -4.538 2.009 15.072 33 HG2 GLU 23 HG2 GLU 23 -2.351 3.038 15.900 34 HG3 GLU 23 HG3 GLU 23 -2.232 3.865 14.345 35 H CYS 24 H CYS 24 -2.962 2.066 11.687 36 HA CYS 24 HA CYS 24 -0.002 2.175 11.326 37 HB2 CYS 24 HB2 CYS 24 -0.966 0.128 10.313 38 HB3 CYS 24 HB3 CYS 24 -2.008 1.130 9.305 39 H THR 25 H THR 25 0.334 4.302 11.417 40 HA THR 25 HA THR 25 -0.938 6.083 9.402 41 HB THR 25 HB THR 25 -1.098 7.908 11.053 42 HG1 THR 25 HG1 THR 25 -0.735 5.896 13.013 43 HG21 THR 25 HG21 THR 25 -3.102 7.207 12.220 44 HG22 THR 25 HG22 THR 25 -2.734 5.496 11.935 45 HG23 THR 25 HG23 THR 25 -3.120 6.564 10.568 46 H VAL 26 H VAL 26 0.231 8.135 9.137 47 HA VAL 26 HA VAL 26 3.113 8.165 9.808 48 HB VAL 26 HB VAL 26 3.590 8.807 7.376 49 HG11 VAL 26 HG11 VAL 26 2.754 5.944 7.907 50 HG12 VAL 26 HG12 VAL 26 3.852 6.507 6.628 51 HG13 VAL 26 HG13 VAL 26 4.313 6.677 8.329 52 HG21 VAL 26 HG21 VAL 26 0.982 7.373 6.762 53 HG22 VAL 26 HG22 VAL 26 1.228 9.131 6.636 54 HG23 VAL 26 HG23 VAL 26 2.164 8.036 5.618 55 HA PRO 27 HA PRO 27 2.343 12.615 9.855 56 HB2 PRO 27 HB2 PRO 27 4.787 13.673 9.223 57 HB3 PRO 27 HB3 PRO 27 4.459 12.861 10.783 58 HG2 PRO 27 HG2 PRO 27 5.713 11.657 8.289 59 HG3 PRO 27 HG3 PRO 27 6.333 11.602 9.973 60 HD2 PRO 27 HD2 PRO 27 4.911 9.550 8.932 61 HD3 PRO 27 HD3 PRO 27 4.673 10.048 10.628 62 H ILE 28 H ILE 28 2.473 14.548 8.406 63 HA ILE 28 HA ILE 28 1.574 14.033 5.749 64 HB ILE 28 HB ILE 28 0.934 15.994 7.106 65 HG12 ILE 28 HG12 ILE 28 1.024 17.744 5.380 66 HG13 ILE 28 HG13 ILE 28 2.193 16.813 4.453 67 HG21 ILE 28 HG21 ILE 28 2.381 17.934 7.356 68 HG22 ILE 28 HG22 ILE 28 3.153 16.529 8.098 69 HG23 ILE 28 HG23 ILE 28 3.706 17.111 6.514 70 HD11 ILE 28 HD11 ILE 28 0.492 15.039 4.086 71 HD12 ILE 28 HD12 ILE 28 -0.650 15.915 5.133 72 HD13 ILE 28 HD13 ILE 28 -0.131 16.618 3.589 73 H GLY 29 H GLY 29 2.539 14.402 3.742 74 HA2 GLY 29 HA2 GLY 29 4.218 14.684 2.162 75 HA3 GLY 29 HA3 GLY 29 5.335 15.154 3.436 76 H TRP 30 H TRP 30 3.927 12.089 4.099 77 HA TRP 30 HA TRP 30 6.349 10.595 3.725 78 HB2 TRP 30 HB2 TRP 30 4.588 10.033 5.359 79 HB3 TRP 30 HB3 TRP 30 3.468 9.669 4.049 80 HD1 TRP 30 HD1 TRP 30 3.747 7.398 2.798 81 HE1 TRP 30 HE1 TRP 30 5.176 5.283 3.134 82 HE3 TRP 30 HE3 TRP 30 6.847 9.117 6.477 83 HZ2 TRP 30 HZ2 TRP 30 7.467 4.504 4.693 84 HZ3 TRP 30 HZ3 TRP 30 8.653 7.658 7.387 85 HH2 TRP 30 HH2 TRP 30 8.981 5.365 6.494 86 H SER 31 H SER 31 6.675 8.776 2.310 87 HA SER 31 HA SER 31 6.045 9.312 -0.501 88 HB2 SER 31 HB2 SER 31 8.287 8.619 0.412 89 HB3 SER 31 HB3 SER 31 7.631 6.987 0.630 90 HG SER 31 HG SER 31 8.692 7.283 -1.411 91 H GLU 32 H GLU 32 3.719 9.009 0.201 92 HA GLU 32 HA GLU 32 2.611 6.283 0.155 93 HB2 GLU 32 HB2 GLU 32 0.429 7.414 0.077 94 HB3 GLU 32 HB3 GLU 32 1.449 8.044 1.364 95 HG2 GLU 32 HG2 GLU 32 1.986 10.023 0.001 96 HG3 GLU 32 HG3 GLU 32 1.007 9.392 -1.328 97 HA PRO 33 HA PRO 33 2.269 5.853 -4.291 98 HB2 PRO 33 HB2 PRO 33 0.114 4.206 -4.607 99 HB3 PRO 33 HB3 PRO 33 1.635 3.702 -3.822 100 HG2 PRO 33 HG2 PRO 33 -0.890 4.726 -2.466 101 HG3 PRO 33 HG3 PRO 33 -0.027 3.191 -2.131 102 HD2 PRO 33 HD2 PRO 33 0.445 5.390 -0.650 103 HD3 PRO 33 HD3 PRO 33 1.793 4.321 -1.126 104 H VAL 34 H VAL 34 0.566 5.916 -6.120 105 HA VAL 34 HA VAL 34 -1.423 8.105 -5.734 106 HB VAL 34 HB VAL 34 0.573 8.868 -6.954 107 HG11 VAL 34 HG11 VAL 34 1.104 6.786 -8.219 108 HG12 VAL 34 HG12 VAL 34 -0.354 7.035 -9.206 109 HG13 VAL 34 HG13 VAL 34 0.974 8.212 -9.262 110 HG21 VAL 34 HG21 VAL 34 -1.961 8.875 -8.636 111 HG22 VAL 34 HG22 VAL 34 -1.630 9.946 -7.252 112 HG23 VAL 34 HG23 VAL 34 -0.626 10.038 -8.707 113 H LYS 35 H LYS 35 -3.383 7.837 -6.547 114 HA LYS 35 HA LYS 35 -4.249 5.130 -7.349 115 HB2 LYS 35 HB2 LYS 35 -5.374 6.748 -5.653 116 HB3 LYS 35 HB3 LYS 35 -5.943 7.643 -7.055 117 HG2 LYS 35 HG2 LYS 35 -6.956 5.374 -7.849 118 HG3 LYS 35 HG3 LYS 35 -6.600 4.777 -6.235 119 HD2 LYS 35 HD2 LYS 35 -8.361 7.178 -6.918 120 HD3 LYS 35 HD3 LYS 35 -8.939 5.566 -6.484 121 HE2 LYS 35 HE2 LYS 35 -7.873 5.767 -4.248 122 HE3 LYS 35 HE3 LYS 35 -7.260 7.367 -4.673 123 HZ1 LYS 35 HZ1 LYS 35 -10.140 6.657 -4.495 124 HZ2 LYS 35 HZ2 LYS 35 -9.561 8.136 -4.886 125 HZ3 LYS 35 HZ3 LYS 35 -9.311 7.530 -3.394 126 H GLY 36 H GLY 36 -4.996 4.555 -9.328 127 HA2 GLY 36 HA2 GLY 36 -4.638 6.259 -11.675 128 HA3 GLY 36 HA3 GLY 36 -5.231 4.607 -11.649 129 H LEU 37 H LEU 37 -7.296 6.008 -9.581 130 HA LEU 37 HA LEU 37 -9.528 6.468 -9.624 131 HB2 LEU 37 HB2 LEU 37 -8.524 8.436 -11.707 132 HB3 LEU 37 HB3 LEU 37 -10.198 8.366 -11.198 133 HG LEU 37 HG LEU 37 -9.406 8.660 -8.788 134 HD11 LEU 37 HD11 LEU 37 -6.984 8.301 -9.054 135 HD12 LEU 37 HD12 LEU 37 -7.296 9.953 -8.532 136 HD13 LEU 37 HD13 LEU 37 -6.893 9.624 -10.232 137 HD21 LEU 37 HD21 LEU 37 -10.559 10.361 -10.111 138 HD22 LEU 37 HD22 LEU 37 -9.018 10.868 -10.840 139 HD23 LEU 37 HD23 LEU 37 -9.312 11.105 -9.097 140 H CYS 38 H CYS 38 -8.626 4.315 -11.370 141 HA CYS 38 HA CYS 38 -10.239 4.082 -13.719 142 HB2 CYS 38 HB2 CYS 38 -9.281 1.699 -12.136 143 HB3 CYS 38 HB3 CYS 38 -9.401 1.873 -13.879 144 H LYS 39 H LYS 39 -11.849 2.315 -14.104 145 HA LYS 39 HA LYS 39 -14.141 2.455 -12.370 146 HB2 LYS 39 HB2 LYS 39 -15.223 1.002 -13.918 147 HB3 LYS 39 HB3 LYS 39 -14.236 2.141 -14.826 148 HG2 LYS 39 HG2 LYS 39 -12.474 0.312 -15.067 149 HG3 LYS 39 HG3 LYS 39 -13.578 -0.782 -14.233 150 HD2 LYS 39 HD2 LYS 39 -13.895 -1.253 -16.521 151 HD3 LYS 39 HD3 LYS 39 -15.303 -0.327 -16.019 152 HE2 LYS 39 HE2 LYS 39 -14.707 0.539 -18.132 153 HE3 LYS 39 HE3 LYS 39 -14.166 1.753 -16.974 154 HZ1 LYS 39 HZ1 LYS 39 -11.898 0.828 -17.208 155 HZ2 LYS 39 HZ2 LYS 39 -12.474 1.286 -18.662 156 HZ3 LYS 39 HZ3 LYS 39 -12.432 -0.294 -18.270 157 H ALA 40 H ALA 40 -11.520 0.172 -12.446 158 HA ALA 40 HA ALA 40 -12.904 -1.817 -10.755 159 HB1 ALA 40 HB1 ALA 40 -11.544 -2.520 -12.706 160 HB2 ALA 40 HB2 ALA 40 -10.102 -1.782 -11.967 161 HB3 ALA 40 HB3 ALA 40 -10.893 -3.170 -11.193 162 H ARG 41 H ARG 41 -11.723 -2.765 -8.934 163 HA ARG 41 HA ARG 41 -9.966 -0.947 -7.372 164 HB2 ARG 41 HB2 ARG 41 -11.185 -1.348 -5.305 165 HB3 ARG 41 HB3 ARG 41 -12.158 -0.502 -6.507 166 HG2 ARG 41 HG2 ARG 41 -13.311 -2.697 -7.018 167 HG3 ARG 41 HG3 ARG 41 -12.407 -3.404 -5.661 168 HD2 ARG 41 HD2 ARG 41 -13.368 -1.605 -4.174 169 HD3 ARG 41 HD3 ARG 41 -14.391 -1.107 -5.542 170 HE ARG 41 HE ARG 41 -14.553 -3.942 -5.002 171 HH11 ARG 41 HH11 ARG 41 -15.871 -0.921 -3.842 172 HH12 ARG 41 HH12 ARG 41 -17.297 -1.675 -3.181 173 HH21 ARG 41 HH21 ARG 41 -16.392 -4.859 -4.142 174 HH22 ARG 41 HH22 ARG 41 -17.573 -3.859 -3.347 175 H PHE 42 H PHE 42 -8.123 -1.938 -7.277 176 HA PHE 42 HA PHE 42 -7.914 -4.874 -6.867 177 HB2 PHE 42 HB2 PHE 42 -5.687 -2.875 -7.350 178 HB3 PHE 42 HB3 PHE 42 -5.635 -4.623 -7.533 179 HD1 PHE 42 HD1 PHE 42 -7.945 -5.300 -9.206 180 HD2 PHE 42 HD2 PHE 42 -5.280 -1.912 -9.448 181 HE1 PHE 42 HE1 PHE 42 -8.495 -5.034 -11.605 182 HE2 PHE 42 HE2 PHE 42 -5.841 -1.649 -11.848 183 HZ PHE 42 HZ PHE 42 -7.452 -3.205 -12.928 184 H THR 43 H THR 43 -5.876 -5.345 -5.394 185 HA THR 43 HA THR 43 -5.976 -3.699 -2.892 186 HB THR 43 HB THR 43 -5.836 -6.732 -2.890 187 HG1 THR 43 HG1 THR 43 -7.885 -6.071 -3.594 188 HG21 THR 43 HG21 THR 43 -6.420 -4.679 -0.712 189 HG22 THR 43 HG22 THR 43 -4.897 -5.588 -0.893 190 HG23 THR 43 HG23 THR 43 -6.399 -6.442 -0.507 191 H ARG 44 H ARG 44 -4.043 -2.828 -2.679 192 HA ARG 44 HA ARG 44 -1.544 -4.446 -3.207 193 HB2 ARG 44 HB2 ARG 44 -1.966 -1.439 -3.431 194 HB3 ARG 44 HB3 ARG 44 -0.405 -2.249 -3.558 195 HG2 ARG 44 HG2 ARG 44 -2.718 -2.484 -5.508 196 HG3 ARG 44 HG3 ARG 44 -1.196 -1.625 -5.715 197 HD2 ARG 44 HD2 ARG 44 -0.646 -3.464 -6.887 198 HD3 ARG 44 HD3 ARG 44 -0.095 -3.981 -5.303 199 HE ARG 44 HE ARG 44 -2.037 -5.400 -5.101 200 HH11 ARG 44 HH11 ARG 44 -2.447 -3.583 -8.040 201 HH12 ARG 44 HH12 ARG 44 -3.353 -4.859 -8.810 202 HH21 ARG 44 HH21 ARG 44 -3.250 -6.923 -6.047 203 HH22 ARG 44 HH22 ARG 44 -3.854 -6.705 -7.668 204 H TYR 45 H TYR 45 0.306 -3.729 -1.884 205 HA TYR 45 HA TYR 45 -0.457 -2.721 0.818 206 HB2 TYR 45 HB2 TYR 45 1.259 -5.160 0.226 207 HB3 TYR 45 HB3 TYR 45 0.949 -4.472 1.814 208 HD1 TYR 45 HD1 TYR 45 -1.290 -4.697 2.901 209 HD2 TYR 45 HD2 TYR 45 -0.503 -6.437 -0.988 210 HE1 TYR 45 HE1 TYR 45 -3.323 -6.123 3.100 211 HE2 TYR 45 HE2 TYR 45 -2.547 -7.815 -0.780 212 HH TYR 45 HH TYR 45 -4.311 -8.421 0.550 213 H TYR 46 H TYR 46 0.974 -1.365 1.744 214 HA TYR 46 HA TYR 46 3.632 -0.878 0.456 215 HB2 TYR 46 HB2 TYR 46 1.457 1.151 1.083 216 HB3 TYR 46 HB3 TYR 46 3.125 1.577 0.754 217 HD1 TYR 46 HD1 TYR 46 0.046 0.121 -0.759 218 HD2 TYR 46 HD2 TYR 46 4.023 1.618 -1.490 219 HE1 TYR 46 HE1 TYR 46 -0.470 0.290 -3.189 220 HE2 TYR 46 HE2 TYR 46 3.504 1.747 -3.940 221 HH TYR 46 HH TYR 46 0.305 0.866 -5.245 222 H CYS 47 H CYS 47 5.268 -0.638 1.885 223 HA CYS 47 HA CYS 47 4.781 -0.763 4.748 224 HB2 CYS 47 HB2 CYS 47 7.237 -0.694 2.987 225 HB3 CYS 47 HB3 CYS 47 7.359 -0.441 4.723 226 H MET 48 H MET 48 3.733 0.973 5.434 227 HA MET 48 HA MET 48 4.649 3.739 4.940 228 HB2 MET 48 HB2 MET 48 2.445 2.698 6.757 229 HB3 MET 48 HB3 MET 48 2.719 4.372 6.262 230 HG2 MET 48 HG2 MET 48 1.914 2.063 4.479 231 HG3 MET 48 HG3 MET 48 0.895 3.393 4.995 232 HE1 MET 48 HE1 MET 48 0.548 5.519 3.831 233 HE2 MET 48 HE2 MET 48 2.113 6.066 4.475 234 HE3 MET 48 HE3 MET 48 1.714 6.315 2.758 235 H GLY 49 H GLY 49 6.749 2.595 5.795 236 HA2 GLY 49 HA2 GLY 49 8.499 2.815 7.316 237 HA3 GLY 49 HA3 GLY 49 7.416 3.612 8.457 238 H ASN 50 H ASN 50 6.114 2.325 9.828 239 HA ASN 50 HA ASN 50 7.505 -0.110 10.707 240 HB2 ASN 50 HB2 ASN 50 6.921 1.814 12.182 241 HB3 ASN 50 HB3 ASN 50 5.207 1.450 11.950 242 HD21 ASN 50 HD21 ASN 50 8.286 0.141 13.274 243 HD22 ASN 50 HD22 ASN 50 7.466 -0.892 14.438 244 H CYS 51 H CYS 51 4.676 0.428 8.815 245 HA CYS 51 HA CYS 51 3.641 -2.321 9.343 246 HB2 CYS 51 HB2 CYS 51 1.364 -1.286 9.584 247 HB3 CYS 51 HB3 CYS 51 2.493 -0.933 10.884 248 H CYS 52 H CYS 52 2.614 -3.325 7.731 249 HA CYS 52 HA CYS 52 2.634 -2.306 4.989 250 HB2 CYS 52 HB2 CYS 52 1.473 -4.803 6.280 251 HB3 CYS 52 HB3 CYS 52 1.386 -4.444 4.568 252 H LYS 53 H LYS 53 1.267 -0.474 4.942 253 HA LYS 53 HA LYS 53 -1.568 -0.699 5.777 254 HB2 LYS 53 HB2 LYS 53 -0.192 1.475 5.767 255 HB3 LYS 53 HB3 LYS 53 -0.381 1.466 4.005 256 HG2 LYS 53 HG2 LYS 53 -2.859 1.416 4.309 257 HG3 LYS 53 HG3 LYS 53 -2.634 1.416 6.068 258 HD2 LYS 53 HD2 LYS 53 -1.439 3.616 5.868 259 HD3 LYS 53 HD3 LYS 53 -1.835 3.650 4.144 260 HE2 LYS 53 HE2 LYS 53 -3.832 3.524 6.457 261 HE3 LYS 53 HE3 LYS 53 -3.395 4.988 5.574 262 HZ1 LYS 53 HZ1 LYS 53 -5.453 4.046 4.726 263 HZ2 LYS 53 HZ2 LYS 53 -4.740 2.624 4.369 264 HZ3 LYS 53 HZ3 LYS 53 -4.319 3.978 3.555 265 H VAL 54 H VAL 54 -3.111 -1.558 4.579 266 HA VAL 54 HA VAL 54 -2.655 -2.434 1.819 267 HB VAL 54 HB VAL 54 -4.000 -3.726 3.456 268 HG11 VAL 54 HG11 VAL 54 -6.190 -1.679 2.955 269 HG12 VAL 54 HG12 VAL 54 -6.311 -3.181 3.891 270 HG13 VAL 54 HG13 VAL 54 -5.289 -1.860 4.482 271 HG21 VAL 54 HG21 VAL 54 -5.675 -4.479 1.886 272 HG22 VAL 54 HG22 VAL 54 -5.558 -2.977 0.951 273 HG23 VAL 54 HG23 VAL 54 -4.185 -4.105 1.012 274 H TYR 55 H TYR 55 -3.606 -1.649 -0.005 275 HA TYR 55 HA TYR 55 -5.027 0.982 0.048 276 HB2 TYR 55 HB2 TYR 55 -2.563 0.171 -1.485 277 HB3 TYR 55 HB3 TYR 55 -3.712 1.285 -2.204 278 HD1 TYR 55 HD1 TYR 55 -1.441 0.838 0.741 279 HD2 TYR 55 HD2 TYR 55 -3.959 3.540 -1.478 280 HE1 TYR 55 HE1 TYR 55 -0.460 2.774 1.976 281 HE2 TYR 55 HE2 TYR 55 -3.021 5.463 -0.206 282 HH TYR 55 HH TYR 55 -1.592 6.126 1.439 283 H GLU 56 H GLU 56 -6.976 0.575 -0.534 284 HA GLU 56 HA GLU 56 -7.687 -1.538 -2.505 285 HB2 GLU 56 HB2 GLU 56 -9.358 -0.006 -0.481 286 HB3 GLU 56 HB3 GLU 56 -9.987 -1.188 -1.638 287 HG2 GLU 56 HG2 GLU 56 -8.538 -2.942 -0.640 288 HG3 GLU 56 HG3 GLU 56 -7.934 -1.774 0.541 289 H GLY 57 H GLY 57 -7.763 -0.835 -4.553 290 HA2 GLY 57 HA2 GLY 57 -9.459 0.923 -5.786 291 HA3 GLY 57 HA3 GLY 57 -8.176 2.000 -5.221 292 H CYS 58 H CYS 58 -8.043 2.336 -7.631 293 HA CYS 58 HA CYS 58 -6.736 0.231 -9.203 294 HB2 CYS 58 HB2 CYS 58 -8.308 1.967 -10.121 295 HB3 CYS 58 HB3 CYS 58 -7.003 3.147 -9.947 296 H TYR 59 H TYR 59 -4.960 -0.252 -7.900 297 HA TYR 59 HA TYR 59 -2.630 1.619 -8.108 298 HB2 TYR 59 HB2 TYR 59 -3.379 -0.210 -5.799 299 HB3 TYR 59 HB3 TYR 59 -1.862 0.663 -5.948 300 HD1 TYR 59 HD2 TYR 59 -1.810 3.166 -5.816 301 HD2 TYR 59 HD1 TYR 59 -5.375 0.882 -5.006 302 HE1 TYR 59 HE2 TYR 59 -2.773 5.109 -4.597 303 HE2 TYR 59 HE1 TYR 59 -6.356 2.852 -3.812 304 HH TYR 59 HH TYR 59 -4.545 5.892 -3.361 305 H THR 60 H THR 60 -1.100 0.814 -9.367 306 HA THR 60 HA THR 60 -0.748 -2.140 -9.708 307 HB THR 60 HB THR 60 0.290 -1.525 -11.881 308 HG1 THR 60 HG1 THR 60 -0.059 0.595 -12.614 309 HG21 THR 60 HG21 THR 60 -2.536 -0.424 -11.541 310 HG22 THR 60 HG22 THR 60 -2.119 -2.139 -11.748 311 HG23 THR 60 HG23 THR 60 -1.781 -0.982 -13.048 312 H GLY 61 H GLY 61 0.768 0.485 -8.249 313 HA2 GLY 61 HA2 GLY 61 3.558 -0.436 -8.541 314 HA3 GLY 61 HA3 GLY 61 2.967 0.927 -7.581 315 H GLY 62 H GLY 62 4.695 -0.196 -6.236 316 HA2 GLY 62 HA2 GLY 62 5.133 -1.009 -4.123 317 HA3 GLY 62 HA3 GLY 62 3.386 -1.036 -3.869 318 H TYR 63 H TYR 63 3.727 -2.829 -2.515 319 HA TYR 63 HA TYR 63 4.640 -5.376 -3.668 320 HB2 TYR 63 HB2 TYR 63 3.488 -4.795 -0.934 321 HB3 TYR 63 HB3 TYR 63 4.332 -6.232 -1.429 322 HD1 TYR 63 HD2 TYR 63 6.786 -5.945 -2.333 323 HD2 TYR 63 HD1 TYR 63 4.732 -2.991 0.043 324 HE1 TYR 63 HE2 TYR 63 8.968 -4.909 -1.736 325 HE2 TYR 63 HE1 TYR 63 6.932 -1.964 0.656 326 HH TYR 63 HH TYR 63 10.020 -3.205 -0.626 327 H SER 64 H SER 64 3.373 -6.870 -4.473 328 HA SER 64 HA SER 64 0.586 -6.379 -5.067 329 HB2 SER 64 HB2 SER 64 0.703 -8.633 -6.124 330 HB3 SER 64 HB3 SER 64 1.984 -7.529 -6.657 331 HG SER 64 HG SER 64 2.823 -9.597 -6.157 332 H ARG 65 H ARG 65 2.214 -8.187 -2.567 333 HA ARG 65 HA ARG 65 -0.367 -8.994 -1.295 334 HB2 ARG 65 HB2 ARG 65 2.093 -10.784 -1.585 335 HB3 ARG 65 HB3 ARG 65 0.571 -11.193 -0.786 336 HG2 ARG 65 HG2 ARG 65 -0.598 -10.937 -3.006 337 HG3 ARG 65 HG3 ARG 65 0.997 -10.695 -3.753 338 HD2 ARG 65 HD2 ARG 65 1.715 -12.915 -2.802 339 HD3 ARG 65 HD3 ARG 65 0.034 -13.178 -2.290 340 HE ARG 65 HE ARG 65 0.079 -12.509 -5.073 341 HH11 ARG 65 HH11 ARG 65 0.955 -15.218 -3.050 342 HH12 ARG 65 HH12 ARG 65 0.800 -16.366 -4.352 343 HH21 ARG 65 HH21 ARG 65 -0.092 -13.992 -6.694 344 HH22 ARG 65 HH22 ARG 65 0.218 -15.673 -6.375 345 H MET 66 H MET 66 -0.185 -9.410 0.992 346 HA MET 66 HA MET 66 1.541 -7.640 2.403 347 HB2 MET 66 HB2 MET 66 -0.659 -8.449 3.206 348 HB3 MET 66 HB3 MET 66 0.061 -10.024 3.568 349 HG2 MET 66 HG2 MET 66 1.598 -9.010 5.165 350 HG3 MET 66 HG3 MET 66 1.092 -7.386 4.708 351 HE1 MET 66 HE1 MET 66 -2.267 -6.828 6.444 352 HE2 MET 66 HE2 MET 66 -0.866 -6.102 5.628 353 HE3 MET 66 HE3 MET 66 -1.960 -7.181 4.732 354 H GLY 67 H GLY 67 1.937 -11.057 1.589 355 HA2 GLY 67 HA2 GLY 67 4.225 -11.699 3.143 356 HA3 GLY 67 HA3 GLY 67 3.854 -12.393 1.564 357 H GLU 68 H GLU 68 4.046 -9.811 0.123 358 HA GLU 68 HA GLU 68 6.966 -9.773 -0.254 359 HB2 GLU 68 HB2 GLU 68 4.706 -8.334 -1.681 360 HB3 GLU 68 HB3 GLU 68 6.408 -8.226 -2.133 361 HG2 GLU 68 HG2 GLU 68 4.639 -10.696 -2.196 362 HG3 GLU 68 HG3 GLU 68 5.237 -9.775 -3.572 363 H CYS 69 H CYS 69 4.579 -7.601 1.244 364 HA CYS 69 HA CYS 69 6.601 -5.484 1.617 365 HB2 CYS 69 HB2 CYS 69 4.923 -4.254 2.745 366 HB3 CYS 69 HB3 CYS 69 4.191 -4.997 1.331 367 H ALA 70 H ALA 70 5.266 -8.160 3.582 368 HA ALA 70 HA ALA 70 6.287 -7.424 6.076 369 HB1 ALA 70 HB1 ALA 70 5.936 -9.807 6.655 370 HB2 ALA 70 HB2 ALA 70 4.588 -9.144 5.717 371 HB3 ALA 70 HB3 ALA 70 5.785 -10.202 4.929 372 H ARG 71 H ARG 71 8.104 -8.818 3.446 373 HA ARG 71 HA ARG 71 10.496 -9.441 5.061 374 HB2 ARG 71 HB2 ARG 71 11.589 -9.890 2.909 375 HB3 ARG 71 HB3 ARG 71 10.093 -10.793 3.117 376 HG2 ARG 71 HG2 ARG 71 8.884 -9.338 1.636 377 HG3 ARG 71 HG3 ARG 71 10.237 -8.204 1.519 378 HD2 ARG 71 HD2 ARG 71 10.282 -11.083 0.533 379 HD3 ARG 71 HD3 ARG 71 9.919 -9.669 -0.470 380 HE ARG 71 HE ARG 71 12.447 -9.318 0.875 381 HH11 ARG 71 HH11 ARG 71 11.082 -10.993 -1.869 382 HH12 ARG 71 HH12 ARG 71 12.613 -11.085 -2.698 383 HH21 ARG 71 HH21 ARG 71 14.368 -9.451 -0.221 384 HH22 ARG 71 HH22 ARG 71 14.423 -10.222 -1.777 385 H ASN 72 H ASN 72 9.213 -6.527 4.134 386 HA ASN 72 HA ASN 72 11.870 -5.131 4.255 387 HB2 ASN 72 HB2 ASN 72 9.343 -4.404 2.707 388 HB3 ASN 72 HB3 ASN 72 10.693 -3.303 2.972 389 HD21 ASN 72 HD21 ASN 72 9.529 -5.834 0.901 390 HD22 ASN 72 HD22 ASN 72 11.051 -6.006 0.039 391 H CYS 73 H CYS 73 8.414 -4.851 5.182 392 HA CYS 73 HA CYS 73 8.745 -2.810 7.197 393 HB2 CYS 73 HB2 CYS 73 6.732 -5.007 6.617 394 HB3 CYS 73 HB3 CYS 73 6.601 -4.035 8.064 395 HA PRO 74 HA PRO 74 10.406 -5.361 10.522 396 HB2 PRO 74 HB2 PRO 74 9.566 -4.107 12.782 397 HB3 PRO 74 HB3 PRO 74 10.738 -3.366 11.648 398 HG2 PRO 74 HG2 PRO 74 7.744 -2.913 11.794 399 HG3 PRO 74 HG3 PRO 74 9.049 -1.682 11.728 400 HD2 PRO 74 HD2 PRO 74 7.686 -2.473 9.496 401 HD3 PRO 74 HD3 PRO 74 9.416 -2.043 9.441 402 H GLY 75 H GLY 75 6.964 -5.022 10.134 403 HA2 GLY 75 HA2 GLY 75 6.239 -7.664 10.588 404 HA3 GLY 75 HA3 GLY 75 6.028 -6.868 12.150 Start of MODEL 10 1 H1 GLY 19 H1 GLY 19 -11.637 0.751 22.930 2 H2 GLY 19 H2 GLY 19 -11.882 0.080 21.456 3 H3 GLY 19 H3 GLY 19 -12.873 -0.299 22.702 4 HA2 GLY 19 HA2 GLY 19 -11.080 -1.391 23.886 5 HA3 GLY 19 HA3 GLY 19 -11.362 -2.121 22.297 6 H ASP 20 H ASP 20 -9.049 -0.838 24.346 7 HA ASP 20 HA ASP 20 -7.267 0.624 22.755 8 HB2 ASP 20 HB2 ASP 20 -6.759 -1.141 25.180 9 HB3 ASP 20 HB3 ASP 20 -5.591 -0.010 24.502 10 H LYS 21 H LYS 21 -6.158 0.113 21.028 11 HA LYS 21 HA LYS 21 -4.658 -2.448 20.782 12 HB2 LYS 21 HB2 LYS 21 -6.495 -1.249 18.665 13 HB3 LYS 21 HB3 LYS 21 -5.304 -2.511 18.332 14 HG2 LYS 21 HG2 LYS 21 -6.408 -4.038 19.915 15 HG3 LYS 21 HG3 LYS 21 -7.633 -2.825 20.280 16 HD2 LYS 21 HD2 LYS 21 -7.132 -4.094 17.558 17 HD3 LYS 21 HD3 LYS 21 -8.431 -4.524 18.664 18 HE2 LYS 21 HE2 LYS 21 -8.068 -1.805 17.320 19 HE3 LYS 21 HE3 LYS 21 -9.183 -3.067 16.801 20 HZ1 LYS 21 HZ1 LYS 21 -10.317 -1.419 18.154 21 HZ2 LYS 21 HZ2 LYS 21 -9.323 -1.663 19.428 22 HZ3 LYS 21 HZ3 LYS 21 -10.337 -2.852 18.932 23 H GLU 22 H GLU 22 -2.975 -2.350 19.171 24 HA GLU 22 HA GLU 22 -1.573 0.274 19.197 25 HB2 GLU 22 HB2 GLU 22 -0.593 -2.543 18.608 26 HB3 GLU 22 HB3 GLU 22 0.408 -1.081 18.578 27 HG2 GLU 22 HG2 GLU 22 -0.148 -0.652 20.965 28 HG3 GLU 22 HG3 GLU 22 -1.082 -2.149 21.015 29 H GLU 23 H GLU 23 -3.239 0.999 17.569 30 HA GLU 23 HA GLU 23 -3.034 0.157 14.797 31 HB2 GLU 23 HB2 GLU 23 -4.178 2.661 16.093 32 HB3 GLU 23 HB3 GLU 23 -4.234 2.320 14.355 33 HG2 GLU 23 HG2 GLU 23 -5.434 0.203 14.795 34 HG3 GLU 23 HG3 GLU 23 -5.440 0.554 16.527 35 H CYS 24 H CYS 24 -1.408 0.491 13.459 36 HA CYS 24 HA CYS 24 0.726 2.412 13.965 37 HB2 CYS 24 HB2 CYS 24 1.759 1.492 12.023 38 HB3 CYS 24 HB3 CYS 24 1.095 0.176 12.979 39 H THR 25 H THR 25 1.313 4.215 12.702 40 HA THR 25 HA THR 25 -0.493 5.290 10.629 41 HB THR 25 HB THR 25 -0.606 7.517 11.720 42 HG1 THR 25 HG1 THR 25 0.217 6.152 14.062 43 HG21 THR 25 HG21 THR 25 -2.541 5.978 11.935 44 HG22 THR 25 HG22 THR 25 -2.375 7.101 13.295 45 HG23 THR 25 HG23 THR 25 -1.896 5.405 13.489 46 H VAL 26 H VAL 26 0.402 7.379 9.727 47 HA VAL 26 HA VAL 26 3.312 7.802 9.996 48 HB VAL 26 HB VAL 26 3.448 8.077 7.459 49 HG11 VAL 26 HG11 VAL 26 3.023 5.228 8.396 50 HG12 VAL 26 HG12 VAL 26 4.058 5.817 7.073 51 HG13 VAL 26 HG13 VAL 26 4.469 6.198 8.745 52 HG21 VAL 26 HG21 VAL 26 1.970 6.824 6.036 53 HG22 VAL 26 HG22 VAL 26 0.986 6.294 7.411 54 HG23 VAL 26 HG23 VAL 26 1.024 8.011 6.938 55 HA PRO 27 HA PRO 27 2.031 12.039 9.753 56 HB2 PRO 27 HB2 PRO 27 4.226 13.352 8.775 57 HB3 PRO 27 HB3 PRO 27 4.191 12.587 10.391 58 HG2 PRO 27 HG2 PRO 27 5.279 11.413 7.808 59 HG3 PRO 27 HG3 PRO 27 6.096 11.517 9.403 60 HD2 PRO 27 HD2 PRO 27 4.827 9.262 8.626 61 HD3 PRO 27 HD3 PRO 27 4.723 9.821 10.318 62 H ILE 28 H ILE 28 1.440 13.766 8.352 63 HA ILE 28 HA ILE 28 0.355 13.059 5.851 64 HB ILE 28 HB ILE 28 -0.501 14.844 7.285 65 HG12 ILE 28 HG12 ILE 28 -1.014 16.576 5.621 66 HG13 ILE 28 HG13 ILE 28 0.226 15.955 4.540 67 HG21 ILE 28 HG21 ILE 28 1.884 16.527 6.396 68 HG22 ILE 28 HG22 ILE 28 0.523 17.058 7.399 69 HG23 ILE 28 HG23 ILE 28 1.650 15.854 8.025 70 HD11 ILE 28 HD11 ILE 28 -2.077 15.239 3.918 71 HD12 ILE 28 HD12 ILE 28 -1.048 13.845 4.275 72 HD13 ILE 28 HD13 ILE 28 -2.238 14.405 5.477 73 H GLY 29 H GLY 29 3.533 14.307 6.539 74 HA2 GLY 29 HA2 GLY 29 4.182 15.109 3.818 75 HA3 GLY 29 HA3 GLY 29 5.295 14.987 5.176 76 H TRP 30 H TRP 30 3.866 11.942 5.044 77 HA TRP 30 HA TRP 30 6.217 10.719 3.891 78 HB2 TRP 30 HB2 TRP 30 4.778 9.801 5.759 79 HB3 TRP 30 HB3 TRP 30 3.535 9.446 4.560 80 HD1 TRP 30 HD1 TRP 30 4.170 7.614 2.709 81 HE1 TRP 30 HE1 TRP 30 5.899 5.695 2.622 82 HE3 TRP 30 HE3 TRP 30 7.021 8.965 6.708 83 HZ2 TRP 30 HZ2 TRP 30 8.340 4.992 4.004 84 HZ3 TRP 30 HZ3 TRP 30 9.085 7.689 7.286 85 HH2 TRP 30 HH2 TRP 30 9.766 5.730 5.924 86 H SER 31 H SER 31 6.473 9.697 1.922 87 HA SER 31 HA SER 31 4.897 10.572 -0.350 88 HB2 SER 31 HB2 SER 31 6.503 9.124 -1.621 89 HB3 SER 31 HB3 SER 31 7.234 10.405 -0.649 90 HG SER 31 HG SER 31 7.015 7.664 0.093 91 H GLU 32 H GLU 32 2.832 9.794 -0.241 92 HA GLU 32 HA GLU 32 2.283 6.900 -0.029 93 HB2 GLU 32 HB2 GLU 32 0.003 7.504 0.099 94 HB3 GLU 32 HB3 GLU 32 0.868 8.616 1.125 95 HG2 GLU 32 HG2 GLU 32 -0.037 9.313 -1.705 96 HG3 GLU 32 HG3 GLU 32 -1.040 9.499 -0.283 97 HA PRO 33 HA PRO 33 2.092 6.234 -4.412 98 HB2 PRO 33 HB2 PRO 33 0.238 4.270 -4.740 99 HB3 PRO 33 HB3 PRO 33 1.784 4.013 -3.880 100 HG2 PRO 33 HG2 PRO 33 -0.925 4.651 -2.651 101 HG3 PRO 33 HG3 PRO 33 0.188 3.318 -2.214 102 HD2 PRO 33 HD2 PRO 33 0.168 5.636 -0.843 103 HD3 PRO 33 HD3 PRO 33 1.706 4.794 -1.175 104 H VAL 34 H VAL 34 0.824 6.430 -6.371 105 HA VAL 34 HA VAL 34 -1.383 8.395 -6.157 106 HB VAL 34 HB VAL 34 0.561 8.872 -7.578 107 HG11 VAL 34 HG11 VAL 34 -0.564 6.803 -9.509 108 HG12 VAL 34 HG12 VAL 34 0.823 7.877 -9.771 109 HG13 VAL 34 HG13 VAL 34 0.921 6.592 -8.554 110 HG21 VAL 34 HG21 VAL 34 -1.602 10.002 -7.911 111 HG22 VAL 34 HG22 VAL 34 -0.686 9.831 -9.416 112 HG23 VAL 34 HG23 VAL 34 -2.061 8.761 -9.102 113 H LYS 35 H LYS 35 -3.407 8.039 -6.693 114 HA LYS 35 HA LYS 35 -4.434 5.329 -7.185 115 HB2 LYS 35 HB2 LYS 35 -5.550 7.205 -5.799 116 HB3 LYS 35 HB3 LYS 35 -5.978 7.951 -7.339 117 HG2 LYS 35 HG2 LYS 35 -7.064 5.660 -7.926 118 HG3 LYS 35 HG3 LYS 35 -6.835 5.240 -6.232 119 HD2 LYS 35 HD2 LYS 35 -8.427 7.627 -7.270 120 HD3 LYS 35 HD3 LYS 35 -9.118 6.062 -6.835 121 HE2 LYS 35 HE2 LYS 35 -8.276 6.323 -4.507 122 HE3 LYS 35 HE3 LYS 35 -7.565 7.885 -4.931 123 HZ1 LYS 35 HZ1 LYS 35 -9.734 8.158 -3.875 124 HZ2 LYS 35 HZ2 LYS 35 -10.472 7.267 -5.024 125 HZ3 LYS 35 HZ3 LYS 35 -9.807 8.711 -5.406 126 H GLY 36 H GLY 36 -5.301 4.527 -9.077 127 HA2 GLY 36 HA2 GLY 36 -4.428 5.757 -11.609 128 HA3 GLY 36 HA3 GLY 36 -5.169 4.185 -11.418 129 H LEU 37 H LEU 37 -7.304 6.096 -9.864 130 HA LEU 37 HA LEU 37 -9.426 6.813 -10.269 131 HB2 LEU 37 HB2 LEU 37 -7.906 8.212 -12.487 132 HB3 LEU 37 HB3 LEU 37 -9.619 8.452 -12.295 133 HG LEU 37 HG LEU 37 -8.422 10.259 -11.330 134 HD11 LEU 37 HD11 LEU 37 -9.726 8.649 -9.103 135 HD12 LEU 37 HD12 LEU 37 -10.588 9.597 -10.335 136 HD13 LEU 37 HD13 LEU 37 -9.513 10.407 -9.184 137 HD21 LEU 37 HD21 LEU 37 -7.238 8.368 -9.279 138 HD22 LEU 37 HD22 LEU 37 -7.039 10.127 -9.363 139 HD23 LEU 37 HD23 LEU 37 -6.351 9.101 -10.634 140 H CYS 38 H CYS 38 -8.689 4.223 -11.512 141 HA CYS 38 HA CYS 38 -10.311 3.934 -13.935 142 HB2 CYS 38 HB2 CYS 38 -9.368 1.714 -12.113 143 HB3 CYS 38 HB3 CYS 38 -9.747 1.598 -13.820 144 H LYS 39 H LYS 39 -12.075 2.256 -14.043 145 HA LYS 39 HA LYS 39 -14.204 2.658 -12.091 146 HB2 LYS 39 HB2 LYS 39 -13.942 0.645 -14.371 147 HB3 LYS 39 HB3 LYS 39 -15.397 0.916 -13.403 148 HG2 LYS 39 HG2 LYS 39 -15.380 3.330 -14.123 149 HG3 LYS 39 HG3 LYS 39 -14.036 2.955 -15.217 150 HD2 LYS 39 HD2 LYS 39 -15.464 1.285 -16.388 151 HD3 LYS 39 HD3 LYS 39 -16.807 1.680 -15.291 152 HE2 LYS 39 HE2 LYS 39 -16.693 4.063 -16.062 153 HE3 LYS 39 HE3 LYS 39 -15.416 3.617 -17.200 154 HZ1 LYS 39 HZ1 LYS 39 -17.589 3.637 -18.279 155 HZ2 LYS 39 HZ2 LYS 39 -18.187 2.539 -17.233 156 HZ3 LYS 39 HZ3 LYS 39 -17.009 2.113 -18.284 157 H ALA 40 H ALA 40 -11.901 0.030 -12.644 158 HA ALA 40 HA ALA 40 -12.973 -1.695 -10.545 159 HB1 ALA 40 HB1 ALA 40 -10.337 -1.785 -12.088 160 HB2 ALA 40 HB2 ALA 40 -11.013 -3.095 -11.097 161 HB3 ALA 40 HB3 ALA 40 -11.854 -2.581 -12.570 162 H ARG 41 H ARG 41 -11.793 -2.391 -8.695 163 HA ARG 41 HA ARG 41 -9.645 -0.637 -7.622 164 HB2 ARG 41 HB2 ARG 41 -10.584 -0.606 -5.390 165 HB3 ARG 41 HB3 ARG 41 -11.537 0.265 -6.580 166 HG2 ARG 41 HG2 ARG 41 -13.135 -1.657 -6.689 167 HG3 ARG 41 HG3 ARG 41 -12.245 -2.457 -5.393 168 HD2 ARG 41 HD2 ARG 41 -13.482 0.312 -5.154 169 HD3 ARG 41 HD3 ARG 41 -14.313 -1.186 -4.716 170 HE ARG 41 HE ARG 41 -11.866 -1.170 -3.281 171 HH11 ARG 41 HH11 ARG 41 -14.860 0.625 -3.306 172 HH12 ARG 41 HH12 ARG 41 -14.777 0.989 -1.605 173 HH21 ARG 41 HH21 ARG 41 -11.802 -0.649 -1.030 174 HH22 ARG 41 HH22 ARG 41 -13.113 0.295 -0.411 175 H PHE 42 H PHE 42 -8.155 -2.106 -8.225 176 HA PHE 42 HA PHE 42 -7.937 -4.814 -7.322 177 HB2 PHE 42 HB2 PHE 42 -5.625 -2.884 -7.672 178 HB3 PHE 42 HB3 PHE 42 -5.620 -4.627 -7.890 179 HD1 PHE 42 HD2 PHE 42 -8.080 -4.926 -9.700 180 HD2 PHE 42 HD1 PHE 42 -4.766 -2.156 -9.726 181 HE1 PHE 42 HE2 PHE 42 -8.385 -4.578 -12.132 182 HE2 PHE 42 HE1 PHE 42 -5.068 -1.828 -12.166 183 HZ PHE 42 HZ PHE 42 -6.886 -3.027 -13.368 184 H THR 43 H THR 43 -6.068 -5.470 -5.775 185 HA THR 43 HA THR 43 -6.090 -3.794 -3.280 186 HB THR 43 HB THR 43 -5.969 -6.826 -3.328 187 HG1 THR 43 HG1 THR 43 -8.188 -5.113 -2.848 188 HG21 THR 43 HG21 THR 43 -6.592 -6.573 -0.953 189 HG22 THR 43 HG22 THR 43 -6.592 -4.805 -1.125 190 HG23 THR 43 HG23 THR 43 -5.076 -5.724 -1.288 191 H ARG 44 H ARG 44 -4.164 -2.875 -3.131 192 HA ARG 44 HA ARG 44 -1.666 -4.529 -3.511 193 HB2 ARG 44 HB2 ARG 44 -2.074 -1.513 -3.681 194 HB3 ARG 44 HB3 ARG 44 -0.510 -2.319 -3.731 195 HG2 ARG 44 HG2 ARG 44 -2.702 -2.495 -5.823 196 HG3 ARG 44 HG3 ARG 44 -1.158 -1.651 -5.920 197 HD2 ARG 44 HD2 ARG 44 -0.583 -3.474 -7.116 198 HD3 ARG 44 HD3 ARG 44 -0.109 -4.028 -5.517 199 HE ARG 44 HE ARG 44 -2.017 -5.455 -5.441 200 HH11 ARG 44 HH11 ARG 44 -2.400 -3.495 -8.307 201 HH12 ARG 44 HH12 ARG 44 -3.303 -4.736 -9.136 202 HH21 ARG 44 HH21 ARG 44 -3.256 -6.914 -6.464 203 HH22 ARG 44 HH22 ARG 44 -3.833 -6.621 -8.082 204 H TYR 45 H TYR 45 -0.007 -4.224 -2.035 205 HA TYR 45 HA TYR 45 -0.764 -2.993 0.588 206 HB2 TYR 45 HB2 TYR 45 0.933 -5.462 0.115 207 HB3 TYR 45 HB3 TYR 45 0.602 -4.712 1.672 208 HD1 TYR 45 HD2 TYR 45 -1.669 -4.832 2.703 209 HD2 TYR 45 HD1 TYR 45 -0.801 -6.764 -1.066 210 HE1 TYR 45 HE2 TYR 45 -3.742 -6.190 2.911 211 HE2 TYR 45 HE1 TYR 45 -2.890 -8.099 -0.855 212 HH TYR 45 HH TYR 45 -5.070 -7.797 1.970 213 H TYR 46 H TYR 46 0.664 -1.658 1.523 214 HA TYR 46 HA TYR 46 3.293 -1.129 0.192 215 HB2 TYR 46 HB2 TYR 46 1.090 0.862 0.882 216 HB3 TYR 46 HB3 TYR 46 2.748 1.329 0.581 217 HD1 TYR 46 HD1 TYR 46 -0.341 0.029 -1.007 218 HD2 TYR 46 HD2 TYR 46 3.700 1.390 -1.643 219 HE1 TYR 46 HE1 TYR 46 -0.844 0.430 -3.429 220 HE2 TYR 46 HE2 TYR 46 3.205 1.736 -4.053 221 HH TYR 46 HH TYR 46 1.562 1.826 -5.649 222 H CYS 47 H CYS 47 4.874 -1.238 1.672 223 HA CYS 47 HA CYS 47 4.402 -0.933 4.543 224 HB2 CYS 47 HB2 CYS 47 6.188 -2.403 3.798 225 HB3 CYS 47 HB3 CYS 47 6.990 -1.043 2.988 226 H MET 48 H MET 48 3.546 1.004 4.967 227 HA MET 48 HA MET 48 4.762 3.567 4.121 228 HB2 MET 48 HB2 MET 48 2.473 2.946 6.029 229 HB3 MET 48 HB3 MET 48 2.978 4.556 5.502 230 HG2 MET 48 HG2 MET 48 1.938 2.349 3.683 231 HG3 MET 48 HG3 MET 48 0.999 3.706 4.265 232 HE1 MET 48 HE1 MET 48 2.482 6.350 3.884 233 HE2 MET 48 HE2 MET 48 2.009 6.714 2.210 234 HE3 MET 48 HE3 MET 48 0.846 5.959 3.311 235 H GLY 49 H GLY 49 6.843 3.073 4.880 236 HA2 GLY 49 HA2 GLY 49 8.600 3.585 6.281 237 HA3 GLY 49 HA3 GLY 49 7.464 4.103 7.523 238 H ASN 50 H ASN 50 6.263 2.185 8.529 239 HA ASN 50 HA ASN 50 8.069 -0.162 9.046 240 HB2 ASN 50 HB2 ASN 50 7.732 0.101 11.453 241 HB3 ASN 50 HB3 ASN 50 8.530 1.501 10.750 242 HD21 ASN 50 HD21 ASN 50 7.804 3.390 11.705 243 HD22 ASN 50 HD22 ASN 50 6.138 3.628 12.217 244 H CYS 51 H CYS 51 4.951 0.740 8.155 245 HA CYS 51 HA CYS 51 3.796 -1.841 9.128 246 HB2 CYS 51 HB2 CYS 51 3.164 0.317 10.398 247 HB3 CYS 51 HB3 CYS 51 2.266 0.742 8.935 248 H CYS 52 H CYS 52 2.650 -2.919 7.730 249 HA CYS 52 HA CYS 52 2.494 -2.099 4.880 250 HB2 CYS 52 HB2 CYS 52 1.939 -4.688 6.331 251 HB3 CYS 52 HB3 CYS 52 1.482 -4.418 4.655 252 H LYS 53 H LYS 53 0.955 -0.541 4.722 253 HA LYS 53 HA LYS 53 -1.854 -1.056 5.613 254 HB2 LYS 53 HB2 LYS 53 -0.443 1.300 4.297 255 HB3 LYS 53 HB3 LYS 53 -2.212 1.186 4.363 256 HG2 LYS 53 HG2 LYS 53 -2.158 0.983 6.805 257 HG3 LYS 53 HG3 LYS 53 -0.394 1.011 6.799 258 HD2 LYS 53 HD2 LYS 53 -1.177 3.186 7.476 259 HD3 LYS 53 HD3 LYS 53 -0.397 3.307 5.910 260 HE2 LYS 53 HE2 LYS 53 -2.326 4.698 5.830 261 HE3 LYS 53 HE3 LYS 53 -2.665 3.303 4.809 262 HZ1 LYS 53 HZ1 LYS 53 -3.981 2.372 6.657 263 HZ2 LYS 53 HZ2 LYS 53 -4.540 3.853 6.271 264 HZ3 LYS 53 HZ3 LYS 53 -3.629 3.655 7.607 265 H VAL 54 H VAL 54 -3.568 -1.065 4.116 266 HA VAL 54 HA VAL 54 -2.894 -2.251 1.457 267 HB VAL 54 HB VAL 54 -4.248 -3.620 3.054 268 HG11 VAL 54 HG11 VAL 54 -5.735 -1.811 3.945 269 HG12 VAL 54 HG12 VAL 54 -6.537 -1.746 2.352 270 HG13 VAL 54 HG13 VAL 54 -6.607 -3.224 3.324 271 HG21 VAL 54 HG21 VAL 54 -5.784 -4.449 1.368 272 HG22 VAL 54 HG22 VAL 54 -5.600 -2.965 0.412 273 HG23 VAL 54 HG23 VAL 54 -4.220 -4.066 0.643 274 H TYR 55 H TYR 55 -3.780 -1.453 -0.397 275 HA TYR 55 HA TYR 55 -5.265 1.141 -0.341 276 HB2 TYR 55 HB2 TYR 55 -2.605 0.508 -1.655 277 HB3 TYR 55 HB3 TYR 55 -3.671 1.730 -2.311 278 HD1 TYR 55 HD2 TYR 55 -1.671 0.856 0.757 279 HD2 TYR 55 HD1 TYR 55 -3.896 3.890 -1.372 280 HE1 TYR 55 HE2 TYR 55 -0.792 2.601 2.297 281 HE2 TYR 55 HE1 TYR 55 -3.043 5.613 0.199 282 HH TYR 55 HH TYR 55 -1.800 6.023 2.065 283 H GLU 56 H GLU 56 -6.876 1.238 -1.739 284 HA GLU 56 HA GLU 56 -7.024 -0.699 -3.987 285 HB2 GLU 56 HB2 GLU 56 -9.482 0.002 -2.403 286 HB3 GLU 56 HB3 GLU 56 -9.236 -1.305 -3.534 287 HG2 GLU 56 HG2 GLU 56 -8.938 -2.680 -1.789 288 HG3 GLU 56 HG3 GLU 56 -7.416 -1.905 -1.447 289 H GLY 57 H GLY 57 -7.397 0.220 -5.854 290 HA2 GLY 57 HA2 GLY 57 -9.043 2.201 -6.816 291 HA3 GLY 57 HA3 GLY 57 -7.826 3.143 -5.959 292 H CYS 58 H CYS 58 -7.727 0.287 -8.090 293 HA CYS 58 HA CYS 58 -6.495 -0.285 -9.897 294 HB2 CYS 58 HB2 CYS 58 -7.922 1.750 -10.543 295 HB3 CYS 58 HB3 CYS 58 -6.401 2.618 -10.635 296 H TYR 59 H TYR 59 -4.938 0.442 -7.465 297 HA TYR 59 HA TYR 59 -2.444 1.695 -8.192 298 HB2 TYR 59 HB2 TYR 59 -3.232 -0.105 -5.868 299 HB3 TYR 59 HB3 TYR 59 -1.672 0.686 -6.020 300 HD1 TYR 59 HD1 TYR 59 -1.452 3.145 -5.857 301 HD2 TYR 59 HD2 TYR 59 -5.188 1.139 -5.150 302 HE1 TYR 59 HE1 TYR 59 -2.328 5.179 -4.706 303 HE2 TYR 59 HE2 TYR 59 -6.093 3.226 -4.070 304 HH TYR 59 HH TYR 59 -4.099 6.146 -3.640 305 H THR 60 H THR 60 -0.641 0.867 -9.057 306 HA THR 60 HA THR 60 -0.350 -2.095 -9.469 307 HB THR 60 HB THR 60 0.694 -1.530 -11.657 308 HG1 THR 60 HG1 THR 60 1.250 0.575 -11.502 309 HG21 THR 60 HG21 THR 60 -1.696 -2.196 -11.512 310 HG22 THR 60 HG22 THR 60 -1.364 -1.082 -12.852 311 HG23 THR 60 HG23 THR 60 -2.149 -0.482 -11.382 312 H GLY 61 H GLY 61 1.184 0.546 -8.022 313 HA2 GLY 61 HA2 GLY 61 3.951 -0.353 -8.561 314 HA3 GLY 61 HA3 GLY 61 3.452 1.074 -7.669 315 H GLY 62 H GLY 62 1.609 -1.081 -6.183 316 HA2 GLY 62 HA2 GLY 62 3.440 -1.383 -3.905 317 HA3 GLY 62 HA3 GLY 62 1.716 -1.721 -3.930 318 H TYR 63 H TYR 63 3.060 -3.399 -2.545 319 HA TYR 63 HA TYR 63 4.082 -5.751 -3.945 320 HB2 TYR 63 HB2 TYR 63 3.338 -5.143 -1.058 321 HB3 TYR 63 HB3 TYR 63 3.900 -6.714 -1.591 322 HD1 TYR 63 HD2 TYR 63 6.212 -7.098 -2.290 323 HD2 TYR 63 HD1 TYR 63 4.902 -3.200 -0.995 324 HE1 TYR 63 HE2 TYR 63 8.577 -6.437 -1.909 325 HE2 TYR 63 HE1 TYR 63 7.285 -2.534 -0.623 326 HH TYR 63 HH TYR 63 10.002 -4.764 -1.289 327 H SER 64 H SER 64 3.101 -7.729 -4.143 328 HA SER 64 HA SER 64 0.337 -7.784 -4.807 329 HB2 SER 64 HB2 SER 64 2.212 -10.137 -4.342 330 HB3 SER 64 HB3 SER 64 0.722 -10.145 -5.300 331 HG SER 64 HG SER 64 1.707 -8.677 -6.747 332 H ARG 65 H ARG 65 1.996 -8.776 -1.854 333 HA ARG 65 HA ARG 65 -0.585 -9.325 -0.484 334 HB2 ARG 65 HB2 ARG 65 1.859 -11.145 -0.314 335 HB3 ARG 65 HB3 ARG 65 0.361 -11.309 0.594 336 HG2 ARG 65 HG2 ARG 65 -0.865 -11.656 -1.583 337 HG3 ARG 65 HG3 ARG 65 0.710 -11.650 -2.408 338 HD2 ARG 65 HD2 ARG 65 1.446 -13.542 -0.937 339 HD3 ARG 65 HD3 ARG 65 -0.188 -13.587 -0.239 340 HE ARG 65 HE ARG 65 -0.262 -13.778 -3.131 341 HH11 ARG 65 HH11 ARG 65 0.346 -15.775 -0.327 342 HH12 ARG 65 HH12 ARG 65 -0.054 -17.246 -1.173 343 HH21 ARG 65 HH21 ARG 65 -0.738 -15.678 -4.161 344 HH22 ARG 65 HH22 ARG 65 -0.647 -17.180 -3.292 345 H MET 66 H MET 66 -0.427 -9.178 1.820 346 HA MET 66 HA MET 66 1.223 -7.083 2.833 347 HB2 MET 66 HB2 MET 66 -1.001 -7.787 3.721 348 HB3 MET 66 HB3 MET 66 -0.247 -9.227 4.424 349 HG2 MET 66 HG2 MET 66 1.219 -7.807 5.800 350 HG3 MET 66 HG3 MET 66 0.568 -6.359 5.035 351 HE1 MET 66 HE1 MET 66 -1.660 -5.250 5.520 352 HE2 MET 66 HE2 MET 66 -2.586 -6.676 4.994 353 HE3 MET 66 HE3 MET 66 -2.940 -5.916 6.557 354 H GLY 67 H GLY 67 1.663 -10.632 2.983 355 HA2 GLY 67 HA2 GLY 67 3.905 -10.714 4.729 356 HA3 GLY 67 HA3 GLY 67 3.539 -11.908 3.485 357 H GLU 68 H GLU 68 3.775 -10.074 1.232 358 HA GLU 68 HA GLU 68 6.600 -10.341 0.725 359 HB2 GLU 68 HB2 GLU 68 4.441 -8.855 -0.817 360 HB3 GLU 68 HB3 GLU 68 6.072 -9.167 -1.407 361 HG2 GLU 68 HG2 GLU 68 4.086 -11.353 -0.667 362 HG3 GLU 68 HG3 GLU 68 4.323 -10.724 -2.290 363 H CYS 69 H CYS 69 4.603 -7.474 1.570 364 HA CYS 69 HA CYS 69 6.958 -5.714 1.524 365 HB2 CYS 69 HB2 CYS 69 5.507 -4.000 2.390 366 HB3 CYS 69 HB3 CYS 69 4.801 -4.810 1.009 367 H ALA 70 H ALA 70 5.095 -7.446 4.062 368 HA ALA 70 HA ALA 70 6.398 -6.326 6.282 369 HB1 ALA 70 HB1 ALA 70 5.114 -9.072 5.987 370 HB2 ALA 70 HB2 ALA 70 5.454 -8.238 7.518 371 HB3 ALA 70 HB3 ALA 70 4.277 -7.552 6.386 372 H ARG 71 H ARG 71 7.378 -9.234 4.423 373 HA ARG 71 HA ARG 71 9.584 -9.922 6.162 374 HB2 ARG 71 HB2 ARG 71 10.253 -11.478 4.507 375 HB3 ARG 71 HB3 ARG 71 8.492 -11.475 4.538 376 HG2 ARG 71 HG2 ARG 71 8.516 -9.981 2.503 377 HG3 ARG 71 HG3 ARG 71 10.283 -10.122 2.463 378 HD2 ARG 71 HD2 ARG 71 10.038 -12.600 2.299 379 HD3 ARG 71 HD3 ARG 71 8.277 -12.394 2.185 380 HE ARG 71 HE ARG 71 9.227 -10.754 0.185 381 HH11 ARG 71 HH11 ARG 71 9.756 -14.148 0.824 382 HH12 ARG 71 HH12 ARG 71 10.093 -14.509 -0.848 383 HH21 ARG 71 HH21 ARG 71 9.518 -11.308 -1.949 384 HH22 ARG 71 HH22 ARG 71 9.973 -12.927 -2.363 385 H ASN 72 H ASN 72 9.349 -7.549 3.653 386 HA ASN 72 HA ASN 72 12.272 -7.146 3.404 387 HB2 ASN 72 HB2 ASN 72 9.808 -5.909 2.108 388 HB3 ASN 72 HB3 ASN 72 11.390 -5.146 1.984 389 HD21 ASN 72 HD21 ASN 72 9.396 -7.688 0.655 390 HD22 ASN 72 HD22 ASN 72 10.696 -8.286 -0.385 391 H CYS 73 H CYS 73 9.492 -5.292 4.705 392 HA CYS 73 HA CYS 73 11.142 -3.160 5.750 393 HB2 CYS 73 HB2 CYS 73 8.267 -3.874 5.610 394 HB3 CYS 73 HB3 CYS 73 8.706 -2.988 7.059 395 HA PRO 74 HA PRO 74 12.382 -4.521 9.692 396 HB2 PRO 74 HB2 PRO 74 12.072 -2.383 11.389 397 HB3 PRO 74 HB3 PRO 74 13.249 -2.420 10.041 398 HG2 PRO 74 HG2 PRO 74 10.472 -1.200 10.061 399 HG3 PRO 74 HG3 PRO 74 12.007 -0.451 9.514 400 HD2 PRO 74 HD2 PRO 74 10.293 -1.582 7.764 401 HD3 PRO 74 HD3 PRO 74 12.057 -1.767 7.551 402 H GLY 75 H GLY 75 9.074 -3.360 9.666 403 HA2 GLY 75 HA2 GLY 75 7.157 -3.894 10.852 404 HA3 GLY 75 HA3 GLY 75 7.939 -5.412 11.291 Start of MODEL 11 1 H1 GLY 19 H1 GLY 19 -2.033 -4.982 23.972 2 H2 GLY 19 H2 GLY 19 -2.563 -4.551 22.481 3 H3 GLY 19 H3 GLY 19 -2.742 -6.095 22.999 4 HA2 GLY 19 HA2 GLY 19 -0.371 -6.448 23.027 5 HA3 GLY 19 HA3 GLY 19 -0.929 -5.957 21.418 6 H ASP 20 H ASP 20 0.706 -4.767 20.590 7 HA ASP 20 HA ASP 20 2.449 -3.054 22.109 8 HB2 ASP 20 HB2 ASP 20 3.437 -2.520 20.003 9 HB3 ASP 20 HB3 ASP 20 3.053 -4.233 19.998 10 H LYS 21 H LYS 21 2.841 -0.778 21.515 11 HA LYS 21 HA LYS 21 0.359 0.882 21.207 12 HB2 LYS 21 HB2 LYS 21 2.578 1.154 23.276 13 HB3 LYS 21 HB3 LYS 21 1.313 2.350 23.029 14 HG2 LYS 21 HG2 LYS 21 0.789 -0.530 23.884 15 HG3 LYS 21 HG3 LYS 21 0.914 0.854 24.966 16 HD2 LYS 21 HD2 LYS 21 -1.013 1.940 23.868 17 HD3 LYS 21 HD3 LYS 21 -1.171 0.563 22.757 18 HE2 LYS 21 HE2 LYS 21 -1.553 -0.960 24.655 19 HE3 LYS 21 HE3 LYS 21 -1.366 0.383 25.791 20 HZ1 LYS 21 HZ1 LYS 21 -3.494 0.203 23.721 21 HZ2 LYS 21 HZ2 LYS 21 -3.324 1.426 24.791 22 HZ3 LYS 21 HZ3 LYS 21 -3.711 -0.067 25.315 23 H GLU 22 H GLU 22 2.906 0.247 19.494 24 HA GLU 22 HA GLU 22 4.191 2.797 18.997 25 HB2 GLU 22 HB2 GLU 22 5.166 0.596 18.400 26 HB3 GLU 22 HB3 GLU 22 3.899 0.363 17.186 27 HG2 GLU 22 HG2 GLU 22 4.701 2.339 15.942 28 HG3 GLU 22 HG3 GLU 22 5.886 2.679 17.205 29 H GLU 23 H GLU 23 3.602 4.463 17.758 30 HA GLU 23 HA GLU 23 0.874 4.824 17.062 31 HB2 GLU 23 HB2 GLU 23 3.143 6.553 15.982 32 HB3 GLU 23 HB3 GLU 23 1.476 6.992 16.328 33 HG2 GLU 23 HG2 GLU 23 2.409 7.919 18.148 34 HG3 GLU 23 HG3 GLU 23 2.170 6.306 18.816 35 H CYS 24 H CYS 24 3.644 4.512 14.965 36 HA CYS 24 HA CYS 24 3.922 4.321 12.690 37 HB2 CYS 24 HB2 CYS 24 3.150 2.023 13.516 38 HB3 CYS 24 HB3 CYS 24 1.603 2.394 12.764 39 H THR 25 H THR 25 2.372 6.576 13.365 40 HA THR 25 HA THR 25 -0.037 6.941 11.982 41 HB THR 25 HB THR 25 2.029 9.122 12.436 42 HG1 THR 25 HG1 THR 25 0.155 8.102 14.307 43 HG21 THR 25 HG21 THR 25 -0.023 9.918 11.334 44 HG22 THR 25 HG22 THR 25 0.033 10.489 13.004 45 HG23 THR 25 HG23 THR 25 -1.022 9.125 12.577 46 H VAL 26 H VAL 26 -0.611 7.801 10.017 47 HA VAL 26 HA VAL 26 1.493 8.089 7.895 48 HB VAL 26 HB VAL 26 -1.242 6.879 7.485 49 HG11 VAL 26 HG11 VAL 26 -0.324 6.266 5.282 50 HG12 VAL 26 HG12 VAL 26 -0.289 8.015 5.475 51 HG13 VAL 26 HG13 VAL 26 1.210 7.087 5.673 52 HG21 VAL 26 HG21 VAL 26 1.489 5.547 7.706 53 HG22 VAL 26 HG22 VAL 26 0.083 5.284 8.758 54 HG23 VAL 26 HG23 VAL 26 0.023 4.755 7.078 55 HA PRO 27 HA PRO 27 -0.913 12.038 7.928 56 HB2 PRO 27 HB2 PRO 27 1.181 13.773 7.870 57 HB3 PRO 27 HB3 PRO 27 0.656 12.979 9.384 58 HG2 PRO 27 HG2 PRO 27 2.911 12.132 7.532 59 HG3 PRO 27 HG3 PRO 27 2.967 12.353 9.311 60 HD2 PRO 27 HD2 PRO 27 2.575 9.906 8.145 61 HD3 PRO 27 HD3 PRO 27 1.794 10.347 9.689 62 H ILE 28 H ILE 28 -1.039 13.623 6.189 63 HA ILE 28 HA ILE 28 -0.733 12.648 3.562 64 HB ILE 28 HB ILE 28 -2.345 14.357 4.205 65 HG12 ILE 28 HG12 ILE 28 -2.152 15.934 2.332 66 HG13 ILE 28 HG13 ILE 28 -0.483 15.452 2.051 67 HG21 ILE 28 HG21 ILE 28 -0.011 16.312 4.410 68 HG22 ILE 28 HG22 ILE 28 -1.732 16.699 4.562 69 HG23 ILE 28 HG23 ILE 28 -0.958 15.688 5.779 70 HD11 ILE 28 HD11 ILE 28 -2.917 13.610 1.837 71 HD12 ILE 28 HD12 ILE 28 -2.096 14.396 0.473 72 HD13 ILE 28 HD13 ILE 28 -1.240 13.175 1.424 73 H GLY 29 H GLY 29 1.601 14.345 5.507 74 HA2 GLY 29 HA2 GLY 29 3.405 15.067 3.347 75 HA3 GLY 29 HA3 GLY 29 3.744 15.141 5.072 76 H TRP 30 H TRP 30 2.796 11.950 4.655 77 HA TRP 30 HA TRP 30 5.525 10.929 4.606 78 HB2 TRP 30 HB2 TRP 30 3.588 10.006 5.955 79 HB3 TRP 30 HB3 TRP 30 2.876 9.438 4.448 80 HD1 TRP 30 HD1 TRP 30 3.976 7.347 3.319 81 HE1 TRP 30 HE1 TRP 30 5.763 5.613 4.019 82 HE3 TRP 30 HE3 TRP 30 5.663 9.621 7.564 83 HZ2 TRP 30 HZ2 TRP 30 7.722 5.329 6.100 84 HZ3 TRP 30 HZ3 TRP 30 7.484 8.585 8.918 85 HH2 TRP 30 HH2 TRP 30 8.524 6.449 8.191 86 H SER 31 H SER 31 6.195 9.274 3.040 87 HA SER 31 HA SER 31 5.671 10.014 0.232 88 HB2 SER 31 HB2 SER 31 7.517 7.936 1.463 89 HB3 SER 31 HB3 SER 31 7.411 8.318 -0.266 90 HG SER 31 HG SER 31 8.057 10.196 1.788 91 H GLU 32 H GLU 32 3.310 9.300 0.967 92 HA GLU 32 HA GLU 32 2.641 6.486 0.766 93 HB2 GLU 32 HB2 GLU 32 0.302 7.296 0.642 94 HB3 GLU 32 HB3 GLU 32 1.198 8.000 1.982 95 HG2 GLU 32 HG2 GLU 32 1.433 10.111 0.787 96 HG3 GLU 32 HG3 GLU 32 0.746 9.409 -0.679 97 HA PRO 33 HA PRO 33 2.356 5.941 -3.643 98 HB2 PRO 33 HB2 PRO 33 0.432 4.031 -3.910 99 HB3 PRO 33 HB3 PRO 33 2.018 3.709 -3.157 100 HG2 PRO 33 HG2 PRO 33 -0.593 4.386 -1.753 101 HG3 PRO 33 HG3 PRO 33 0.498 3.000 -1.430 102 HD2 PRO 33 HD2 PRO 33 0.654 5.264 0.028 103 HD3 PRO 33 HD3 PRO 33 2.138 4.395 -0.453 104 H VAL 34 H VAL 34 0.737 5.966 -5.493 105 HA VAL 34 HA VAL 34 -1.454 7.940 -5.014 106 HB VAL 34 HB VAL 34 0.505 8.998 -5.985 107 HG11 VAL 34 HG11 VAL 34 1.393 7.120 -7.354 108 HG12 VAL 34 HG12 VAL 34 0.017 7.304 -8.467 109 HG13 VAL 34 HG13 VAL 34 1.197 8.615 -8.280 110 HG21 VAL 34 HG21 VAL 34 -1.764 9.871 -6.425 111 HG22 VAL 34 HG22 VAL 34 -0.637 10.202 -7.749 112 HG23 VAL 34 HG23 VAL 34 -1.838 8.911 -7.923 113 H LYS 35 H LYS 35 -3.357 7.579 -5.831 114 HA LYS 35 HA LYS 35 -3.959 5.016 -7.183 115 HB2 LYS 35 HB2 LYS 35 -5.252 6.099 -5.196 116 HB3 LYS 35 HB3 LYS 35 -5.931 7.194 -6.390 117 HG2 LYS 35 HG2 LYS 35 -6.628 5.056 -7.676 118 HG3 LYS 35 HG3 LYS 35 -6.210 4.153 -6.236 119 HD2 LYS 35 HD2 LYS 35 -8.223 6.459 -6.222 120 HD3 LYS 35 HD3 LYS 35 -8.661 4.819 -6.656 121 HE2 LYS 35 HE2 LYS 35 -9.317 5.041 -4.439 122 HE3 LYS 35 HE3 LYS 35 -7.889 4.014 -4.402 123 HZ1 LYS 35 HZ1 LYS 35 -7.829 6.938 -3.827 124 HZ2 LYS 35 HZ2 LYS 35 -6.611 5.854 -3.560 125 HZ3 LYS 35 HZ3 LYS 35 -7.964 5.792 -2.676 126 H GLY 36 H GLY 36 -4.523 4.826 -9.294 127 HA2 GLY 36 HA2 GLY 36 -4.248 7.022 -11.164 128 HA3 GLY 36 HA3 GLY 36 -4.630 5.348 -11.535 129 H LEU 37 H LEU 37 -6.967 6.227 -9.389 130 HA LEU 37 HA LEU 37 -9.231 6.472 -9.550 131 HB2 LEU 37 HB2 LEU 37 -8.214 8.827 -11.162 132 HB3 LEU 37 HB3 LEU 37 -9.918 8.605 -10.875 133 HG LEU 37 HG LEU 37 -9.038 10.203 -9.361 134 HD11 LEU 37 HD11 LEU 37 -9.937 9.375 -7.279 135 HD12 LEU 37 HD12 LEU 37 -9.769 7.691 -7.805 136 HD13 LEU 37 HD13 LEU 37 -10.921 8.772 -8.621 137 HD21 LEU 37 HD21 LEU 37 -7.484 9.752 -7.588 138 HD22 LEU 37 HD22 LEU 37 -6.716 9.354 -9.134 139 HD23 LEU 37 HD23 LEU 37 -7.324 8.059 -8.078 140 H CYS 38 H CYS 38 -8.120 4.601 -11.474 141 HA CYS 38 HA CYS 38 -9.568 4.609 -13.927 142 HB2 CYS 38 HB2 CYS 38 -8.673 2.126 -12.453 143 HB3 CYS 38 HB3 CYS 38 -8.738 2.385 -14.189 144 H LYS 39 H LYS 39 -11.089 2.789 -14.532 145 HA LYS 39 HA LYS 39 -13.517 2.827 -12.910 146 HB2 LYS 39 HB2 LYS 39 -12.823 1.443 -15.534 147 HB3 LYS 39 HB3 LYS 39 -14.429 1.439 -14.792 148 HG2 LYS 39 HG2 LYS 39 -14.441 3.936 -14.817 149 HG3 LYS 39 HG3 LYS 39 -12.922 3.931 -15.710 150 HD2 LYS 39 HD2 LYS 39 -15.518 2.622 -16.639 151 HD3 LYS 39 HD3 LYS 39 -14.996 4.229 -17.124 152 HE2 LYS 39 HE2 LYS 39 -13.411 1.678 -17.680 153 HE3 LYS 39 HE3 LYS 39 -14.567 2.394 -18.801 154 HZ1 LYS 39 HZ1 LYS 39 -13.210 4.411 -18.845 155 HZ2 LYS 39 HZ2 LYS 39 -12.330 3.125 -19.319 156 HZ3 LYS 39 HZ3 LYS 39 -12.110 3.753 -17.831 157 H ALA 40 H ALA 40 -10.881 0.971 -12.396 158 HA ALA 40 HA ALA 40 -12.449 -1.315 -11.273 159 HB1 ALA 40 HB1 ALA 40 -10.532 -2.767 -11.794 160 HB2 ALA 40 HB2 ALA 40 -11.154 -2.000 -13.265 161 HB3 ALA 40 HB3 ALA 40 -9.662 -1.393 -12.509 162 H ARG 41 H ARG 41 -11.399 -2.409 -9.498 163 HA ARG 41 HA ARG 41 -9.787 -0.680 -7.663 164 HB2 ARG 41 HB2 ARG 41 -11.296 -1.401 -5.800 165 HB3 ARG 41 HB3 ARG 41 -11.958 -0.227 -6.934 166 HG2 ARG 41 HG2 ARG 41 -13.368 -1.840 -7.983 167 HG3 ARG 41 HG3 ARG 41 -12.624 -3.189 -7.107 168 HD2 ARG 41 HD2 ARG 41 -13.454 -2.367 -4.987 169 HD3 ARG 41 HD3 ARG 41 -14.077 -0.886 -5.747 170 HE ARG 41 HE ARG 41 -15.355 -2.730 -7.199 171 HH11 ARG 41 HH11 ARG 41 -15.132 -2.544 -3.715 172 HH12 ARG 41 HH12 ARG 41 -16.653 -3.358 -3.472 173 HH21 ARG 41 HH21 ARG 41 -17.291 -3.765 -6.832 174 HH22 ARG 41 HH22 ARG 41 -17.844 -4.023 -5.205 175 H PHE 42 H PHE 42 -8.002 -1.872 -8.132 176 HA PHE 42 HA PHE 42 -7.797 -4.729 -7.535 177 HB2 PHE 42 HB2 PHE 42 -5.496 -2.771 -7.691 178 HB3 PHE 42 HB3 PHE 42 -5.483 -4.492 -8.035 179 HD1 PHE 42 HD1 PHE 42 -7.688 -4.899 -9.945 180 HD2 PHE 42 HD2 PHE 42 -4.881 -1.636 -9.632 181 HE1 PHE 42 HE1 PHE 42 -8.037 -4.364 -12.339 182 HE2 PHE 42 HE2 PHE 42 -5.237 -1.108 -12.032 183 HZ PHE 42 HZ PHE 42 -6.819 -2.463 -13.383 184 H THR 43 H THR 43 -6.026 -5.420 -5.922 185 HA THR 43 HA THR 43 -6.142 -3.846 -3.365 186 HB THR 43 HB THR 43 -6.052 -6.879 -3.559 187 HG1 THR 43 HG1 THR 43 -8.077 -6.062 -4.189 188 HG21 THR 43 HG21 THR 43 -6.581 -6.759 -1.152 189 HG22 THR 43 HG22 THR 43 -6.535 -4.985 -1.216 190 HG23 THR 43 HG23 THR 43 -5.052 -5.934 -1.484 191 H ARG 44 H ARG 44 -4.196 -3.006 -3.012 192 HA ARG 44 HA ARG 44 -1.709 -4.623 -3.570 193 HB2 ARG 44 HB2 ARG 44 -2.125 -1.617 -3.812 194 HB3 ARG 44 HB3 ARG 44 -0.552 -2.431 -3.844 195 HG2 ARG 44 HG2 ARG 44 -2.756 -2.664 -5.902 196 HG3 ARG 44 HG3 ARG 44 -1.144 -1.967 -6.079 197 HD2 ARG 44 HD2 ARG 44 -0.367 -4.404 -5.295 198 HD3 ARG 44 HD3 ARG 44 -1.938 -4.885 -5.932 199 HE ARG 44 HE ARG 44 0.395 -3.735 -7.303 200 HH11 ARG 44 HH11 ARG 44 -2.792 -5.111 -7.732 201 HH12 ARG 44 HH12 ARG 44 -2.582 -5.390 -9.438 202 HH21 ARG 44 HH21 ARG 44 0.586 -4.044 -9.547 203 HH22 ARG 44 HH22 ARG 44 -0.661 -4.902 -10.408 204 H TYR 45 H TYR 45 0.073 -4.079 -2.176 205 HA TYR 45 HA TYR 45 -0.682 -3.164 0.572 206 HB2 TYR 45 HB2 TYR 45 0.949 -5.606 -0.229 207 HB3 TYR 45 HB3 TYR 45 0.759 -5.011 1.409 208 HD1 TYR 45 HD2 TYR 45 -1.428 -5.184 2.601 209 HD2 TYR 45 HD1 TYR 45 -0.877 -6.840 -1.361 210 HE1 TYR 45 HE2 TYR 45 -3.477 -6.564 2.871 211 HE2 TYR 45 HE1 TYR 45 -2.941 -8.181 -1.081 212 HH TYR 45 HH TYR 45 -4.877 -8.106 1.928 213 H TYR 46 H TYR 46 0.799 -1.911 1.607 214 HA TYR 46 HA TYR 46 3.457 -1.388 0.352 215 HB2 TYR 46 HB2 TYR 46 1.287 0.647 1.026 216 HB3 TYR 46 HB3 TYR 46 2.960 1.076 0.739 217 HD1 TYR 46 HD2 TYR 46 -0.116 -0.266 -0.886 218 HD2 TYR 46 HD1 TYR 46 3.898 1.206 -1.471 219 HE1 TYR 46 HE2 TYR 46 -0.565 -0.015 -3.324 220 HE2 TYR 46 HE1 TYR 46 3.440 1.438 -3.918 221 HH TYR 46 HH TYR 46 0.347 0.434 -5.351 222 H CYS 47 H CYS 47 5.080 -0.942 1.819 223 HA CYS 47 HA CYS 47 4.437 -1.269 4.672 224 HB2 CYS 47 HB2 CYS 47 6.400 -2.397 3.449 225 HB3 CYS 47 HB3 CYS 47 7.208 -0.828 3.579 226 H MET 48 H MET 48 3.505 0.532 5.490 227 HA MET 48 HA MET 48 4.452 3.259 4.861 228 HB2 MET 48 HB2 MET 48 2.236 2.306 6.716 229 HB3 MET 48 HB3 MET 48 2.556 3.966 6.204 230 HG2 MET 48 HG2 MET 48 1.665 1.631 4.483 231 HG3 MET 48 HG3 MET 48 0.731 3.062 4.889 232 HE1 MET 48 HE1 MET 48 2.375 5.851 2.722 233 HE2 MET 48 HE2 MET 48 0.957 5.398 3.673 234 HE3 MET 48 HE3 MET 48 2.560 5.478 4.443 235 H GLY 49 H GLY 49 6.602 2.641 5.670 236 HA2 GLY 49 HA2 GLY 49 8.283 3.310 7.158 237 HA3 GLY 49 HA3 GLY 49 7.066 3.755 8.353 238 H ASN 50 H ASN 50 6.053 1.994 9.550 239 HA ASN 50 HA ASN 50 7.926 -0.312 10.031 240 HB2 ASN 50 HB2 ASN 50 6.432 1.440 12.016 241 HB3 ASN 50 HB3 ASN 50 7.254 -0.056 12.443 242 HD21 ASN 50 HD21 ASN 50 9.506 -0.058 12.719 243 HD22 ASN 50 HD22 ASN 50 10.457 1.405 12.491 244 H CYS 51 H CYS 51 4.714 0.393 9.181 245 HA CYS 51 HA CYS 51 3.856 -2.384 9.818 246 HB2 CYS 51 HB2 CYS 51 1.637 -1.517 10.381 247 HB3 CYS 51 HB3 CYS 51 2.869 -0.970 11.507 248 H CYS 52 H CYS 52 2.805 -3.434 8.169 249 HA CYS 52 HA CYS 52 2.708 -2.155 5.540 250 HB2 CYS 52 HB2 CYS 52 3.192 -4.623 5.933 251 HB3 CYS 52 HB3 CYS 52 1.477 -4.808 6.324 252 H LYS 53 H LYS 53 0.933 -1.482 4.422 253 HA LYS 53 HA LYS 53 -1.778 -1.548 5.687 254 HB2 LYS 53 HB2 LYS 53 -0.644 0.646 6.071 255 HB3 LYS 53 HB3 LYS 53 -0.492 0.848 4.318 256 HG2 LYS 53 HG2 LYS 53 -2.919 0.892 4.065 257 HG3 LYS 53 HG3 LYS 53 -3.142 0.511 5.785 258 HD2 LYS 53 HD2 LYS 53 -2.104 2.669 6.413 259 HD3 LYS 53 HD3 LYS 53 -1.748 3.003 4.716 260 HE2 LYS 53 HE2 LYS 53 -3.676 4.284 5.270 261 HE3 LYS 53 HE3 LYS 53 -4.194 2.979 4.201 262 HZ1 LYS 53 HZ1 LYS 53 -5.008 1.785 6.171 263 HZ2 LYS 53 HZ2 LYS 53 -5.694 3.261 6.104 264 HZ3 LYS 53 HZ3 LYS 53 -4.490 2.976 7.166 265 H VAL 54 H VAL 54 -3.344 -2.151 4.368 266 HA VAL 54 HA VAL 54 -2.806 -2.817 1.555 267 HB VAL 54 HB VAL 54 -4.173 -4.261 3.049 268 HG11 VAL 54 HG11 VAL 54 -6.496 -3.800 3.471 269 HG12 VAL 54 HG12 VAL 54 -5.521 -2.508 4.192 270 HG13 VAL 54 HG13 VAL 54 -6.392 -2.225 2.663 271 HG21 VAL 54 HG21 VAL 54 -5.811 -4.879 1.371 272 HG22 VAL 54 HG22 VAL 54 -5.627 -3.316 0.549 273 HG23 VAL 54 HG23 VAL 54 -4.276 -4.474 0.600 274 H TYR 55 H TYR 55 -3.607 -1.817 -0.200 275 HA TYR 55 HA TYR 55 -5.122 0.744 0.044 276 HB2 TYR 55 HB2 TYR 55 -2.514 0.223 -1.384 277 HB3 TYR 55 HB3 TYR 55 -3.637 1.434 -1.971 278 HD1 TYR 55 HD1 TYR 55 -4.205 3.433 -0.697 279 HD2 TYR 55 HD2 TYR 55 -1.316 0.606 0.802 280 HE1 TYR 55 HE1 TYR 55 -3.366 5.144 0.900 281 HE2 TYR 55 HE2 TYR 55 -0.458 2.333 2.383 282 HH TYR 55 HH TYR 55 -1.878 5.617 2.555 283 H GLU 56 H GLU 56 -7.013 0.188 -0.684 284 HA GLU 56 HA GLU 56 -7.408 -1.626 -2.980 285 HB2 GLU 56 HB2 GLU 56 -9.387 -0.219 -1.152 286 HB3 GLU 56 HB3 GLU 56 -9.809 -1.319 -2.474 287 HG2 GLU 56 HG2 GLU 56 -8.514 -3.136 -1.365 288 HG3 GLU 56 HG3 GLU 56 -8.160 -2.057 -0.014 289 H GLY 57 H GLY 57 -7.313 -0.831 -4.978 290 HA2 GLY 57 HA2 GLY 57 -8.797 1.069 -6.244 291 HA3 GLY 57 HA3 GLY 57 -7.524 2.053 -5.524 292 H CYS 58 H CYS 58 -7.449 2.400 -7.980 293 HA CYS 58 HA CYS 58 -5.885 0.470 -9.537 294 HB2 CYS 58 HB2 CYS 58 -7.682 2.019 -10.414 295 HB3 CYS 58 HB3 CYS 58 -6.531 3.345 -10.222 296 H TYR 59 H TYR 59 -4.334 0.641 -7.501 297 HA TYR 59 HA TYR 59 -2.394 2.869 -7.614 298 HB2 TYR 59 HB2 TYR 59 -2.684 0.383 -5.892 299 HB3 TYR 59 HB3 TYR 59 -1.286 1.446 -5.809 300 HD1 TYR 59 HD2 TYR 59 -1.397 3.703 -5.022 301 HD2 TYR 59 HD1 TYR 59 -4.907 1.225 -5.097 302 HE1 TYR 59 HE2 TYR 59 -2.528 5.298 -3.485 303 HE2 TYR 59 HE1 TYR 59 -6.089 2.862 -3.618 304 HH TYR 59 HH TYR 59 -4.422 5.729 -2.268 305 H THR 60 H THR 60 -2.443 -0.485 -8.499 306 HA THR 60 HA THR 60 -1.187 -1.950 -9.613 307 HB THR 60 HB THR 60 -0.201 -1.284 -11.747 308 HG1 THR 60 HG1 THR 60 0.533 0.814 -11.183 309 HG21 THR 60 HG21 THR 60 -2.625 -1.727 -11.534 310 HG22 THR 60 HG22 THR 60 -2.267 -0.510 -12.771 311 HG23 THR 60 HG23 THR 60 -2.907 0.001 -11.199 312 H GLY 61 H GLY 61 0.677 0.334 -8.013 313 HA2 GLY 61 HA2 GLY 61 3.304 -0.916 -8.526 314 HA3 GLY 61 HA3 GLY 61 2.955 0.489 -7.513 315 H GLY 62 H GLY 62 4.481 -0.502 -6.088 316 HA2 GLY 62 HA2 GLY 62 4.990 -1.413 -4.037 317 HA3 GLY 62 HA3 GLY 62 3.248 -1.481 -3.765 318 H TYR 63 H TYR 63 2.964 -3.370 -2.802 319 HA TYR 63 HA TYR 63 4.106 -5.867 -3.972 320 HB2 TYR 63 HB2 TYR 63 3.068 -5.277 -1.181 321 HB3 TYR 63 HB3 TYR 63 3.783 -6.778 -1.723 322 HD1 TYR 63 HD2 TYR 63 6.221 -6.510 -2.862 323 HD2 TYR 63 HD1 TYR 63 4.445 -3.715 -0.093 324 HE1 TYR 63 HE2 TYR 63 8.475 -5.576 -2.348 325 HE2 TYR 63 HE1 TYR 63 6.702 -2.786 0.415 326 HH TYR 63 HH TYR 63 8.935 -2.844 -0.090 327 H SER 64 H SER 64 2.809 -7.525 -4.545 328 HA SER 64 HA SER 64 -0.007 -6.926 -5.152 329 HB2 SER 64 HB2 SER 64 1.645 -8.158 -6.651 330 HB3 SER 64 HB3 SER 64 1.500 -9.537 -5.544 331 HG SER 64 HG SER 64 0.041 -9.640 -7.337 332 H ARG 65 H ARG 65 1.769 -8.620 -2.694 333 HA ARG 65 HA ARG 65 -0.729 -9.515 -1.344 334 HB2 ARG 65 HB2 ARG 65 1.132 -11.162 -2.700 335 HB3 ARG 65 HB3 ARG 65 1.597 -11.350 -1.030 336 HG2 ARG 65 HG2 ARG 65 -1.330 -11.531 -1.780 337 HG3 ARG 65 HG3 ARG 65 -0.245 -12.845 -2.252 338 HD2 ARG 65 HD2 ARG 65 0.492 -13.069 0.133 339 HD3 ARG 65 HD3 ARG 65 -0.771 -11.903 0.594 340 HE ARG 65 HE ARG 65 -2.091 -13.863 -0.886 341 HH11 ARG 65 HH11 ARG 65 -0.242 -13.948 2.095 342 HH12 ARG 65 HH12 ARG 65 -1.071 -15.369 2.662 343 HH21 ARG 65 HH21 ARG 65 -3.091 -15.670 -0.103 344 HH22 ARG 65 HH22 ARG 65 -2.639 -16.307 1.451 345 H MET 66 H MET 66 -0.678 -9.729 0.874 346 HA MET 66 HA MET 66 0.875 -7.961 2.431 347 HB2 MET 66 HB2 MET 66 -1.308 -8.933 3.057 348 HB3 MET 66 HB3 MET 66 -0.550 -10.504 3.320 349 HG2 MET 66 HG2 MET 66 0.817 -9.605 5.125 350 HG3 MET 66 HG3 MET 66 0.240 -7.966 4.816 351 HE1 MET 66 HE1 MET 66 -1.853 -6.925 6.069 352 HE2 MET 66 HE2 MET 66 -2.563 -7.681 4.628 353 HE3 MET 66 HE3 MET 66 -3.336 -7.891 6.210 354 H GLY 67 H GLY 67 1.549 -11.346 1.604 355 HA2 GLY 67 HA2 GLY 67 3.786 -11.769 3.362 356 HA3 GLY 67 HA3 GLY 67 3.465 -12.658 1.874 357 H GLU 68 H GLU 68 3.638 -10.526 0.020 358 HA GLU 68 HA GLU 68 6.481 -10.168 -0.403 359 HB2 GLU 68 HB2 GLU 68 4.008 -8.931 -1.640 360 HB3 GLU 68 HB3 GLU 68 5.656 -8.542 -2.164 361 HG2 GLU 68 HG2 GLU 68 6.053 -10.854 -2.781 362 HG3 GLU 68 HG3 GLU 68 4.436 -11.318 -2.217 363 H CYS 69 H CYS 69 3.972 -8.153 1.062 364 HA CYS 69 HA CYS 69 5.660 -5.829 1.539 365 HB2 CYS 69 HB2 CYS 69 3.089 -6.029 1.479 366 HB3 CYS 69 HB3 CYS 69 3.202 -6.711 3.095 367 H ALA 70 H ALA 70 4.582 -8.534 3.644 368 HA ALA 70 HA ALA 70 5.864 -7.743 5.997 369 HB1 ALA 70 HB1 ALA 70 4.017 -9.356 5.862 370 HB2 ALA 70 HB2 ALA 70 5.079 -10.535 5.058 371 HB3 ALA 70 HB3 ALA 70 5.391 -10.051 6.738 372 H ARG 71 H ARG 71 7.217 -9.803 3.396 373 HA ARG 71 HA ARG 71 9.688 -10.444 4.748 374 HB2 ARG 71 HB2 ARG 71 10.619 -10.949 2.563 375 HB3 ARG 71 HB3 ARG 71 9.001 -11.638 2.727 376 HG2 ARG 71 HG2 ARG 71 8.068 -9.851 1.347 377 HG3 ARG 71 HG3 ARG 71 9.625 -9.023 1.279 378 HD2 ARG 71 HD2 ARG 71 9.361 -10.093 -0.789 379 HD3 ARG 71 HD3 ARG 71 10.580 -11.023 0.099 380 HE ARG 71 HE ARG 71 8.140 -12.294 0.640 381 HH11 ARG 71 HH11 ARG 71 9.960 -11.648 -2.277 382 HH12 ARG 71 HH12 ARG 71 9.298 -13.025 -3.113 383 HH21 ARG 71 HH21 ARG 71 7.347 -14.056 -0.469 384 HH22 ARG 71 HH22 ARG 71 7.860 -14.346 -2.103 385 H ASN 72 H ASN 72 8.647 -7.431 3.430 386 HA ASN 72 HA ASN 72 11.419 -6.361 3.356 387 HB2 ASN 72 HB2 ASN 72 9.584 -6.263 1.406 388 HB3 ASN 72 HB3 ASN 72 9.014 -4.869 2.313 389 HD21 ASN 72 HD21 ASN 72 11.842 -6.313 0.702 390 HD22 ASN 72 HD22 ASN 72 12.659 -4.777 0.421 391 H CYS 73 H CYS 73 8.267 -5.758 4.902 392 HA CYS 73 HA CYS 73 8.998 -3.440 6.402 393 HB2 CYS 73 HB2 CYS 73 7.030 -5.711 6.907 394 HB3 CYS 73 HB3 CYS 73 7.169 -4.338 7.980 395 HA PRO 74 HA PRO 74 11.664 -4.986 9.573 396 HB2 PRO 74 HB2 PRO 74 11.116 -3.422 11.751 397 HB3 PRO 74 HB3 PRO 74 11.895 -2.808 10.262 398 HG2 PRO 74 HG2 PRO 74 8.960 -2.666 11.018 399 HG3 PRO 74 HG3 PRO 74 10.023 -1.344 10.429 400 HD2 PRO 74 HD2 PRO 74 8.373 -2.697 8.755 401 HD3 PRO 74 HD3 PRO 74 9.999 -2.178 8.225 402 H GLY 75 H GLY 75 8.260 -5.307 10.072 403 HA2 GLY 75 HA2 GLY 75 7.382 -7.474 10.766 404 HA3 GLY 75 HA3 GLY 75 8.658 -7.599 11.971 Start of MODEL 12 1 H1 GLY 19 H1 GLY 19 -10.036 2.566 23.470 2 H2 GLY 19 H2 GLY 19 -8.578 3.309 23.374 3 H3 GLY 19 H3 GLY 19 -9.131 2.430 22.108 4 HA2 GLY 19 HA2 GLY 19 -8.406 1.346 24.753 5 HA3 GLY 19 HA3 GLY 19 -9.022 0.389 23.391 6 H ASP 20 H ASP 20 -6.415 0.348 24.892 7 HA ASP 20 HA ASP 20 -4.267 1.333 23.297 8 HB2 ASP 20 HB2 ASP 20 -4.405 -0.932 25.322 9 HB3 ASP 20 HB3 ASP 20 -2.913 -0.331 24.599 10 H LYS 21 H LYS 21 -3.832 0.818 21.303 11 HA LYS 21 HA LYS 21 -3.673 -2.014 20.367 12 HB2 LYS 21 HB2 LYS 21 -5.011 0.322 18.929 13 HB3 LYS 21 HB3 LYS 21 -4.591 -1.201 18.142 14 HG2 LYS 21 HG2 LYS 21 -6.041 -2.454 19.689 15 HG3 LYS 21 HG3 LYS 21 -6.523 -0.955 20.490 16 HD2 LYS 21 HD2 LYS 21 -6.996 -1.560 17.539 17 HD3 LYS 21 HD3 LYS 21 -8.179 -1.809 18.833 18 HE2 LYS 21 HE2 LYS 21 -8.041 0.619 19.414 19 HE3 LYS 21 HE3 LYS 21 -6.933 0.867 18.061 20 HZ1 LYS 21 HZ1 LYS 21 -9.729 -0.112 17.808 21 HZ2 LYS 21 HZ2 LYS 21 -8.701 0.115 16.557 22 HZ3 LYS 21 HZ3 LYS 21 -9.218 1.392 17.432 23 H GLU 22 H GLU 22 -2.507 -2.088 18.227 24 HA GLU 22 HA GLU 22 0.122 -0.896 18.345 25 HB2 GLU 22 HB2 GLU 22 -0.431 -3.081 17.321 26 HB3 GLU 22 HB3 GLU 22 -1.355 -2.267 16.054 27 HG2 GLU 22 HG2 GLU 22 0.662 -1.252 15.157 28 HG3 GLU 22 HG3 GLU 22 1.609 -1.780 16.551 29 H GLU 23 H GLU 23 1.077 0.628 16.854 30 HA GLU 23 HA GLU 23 -0.801 2.553 15.562 31 HB2 GLU 23 HB2 GLU 23 0.480 4.413 16.388 32 HB3 GLU 23 HB3 GLU 23 -0.112 3.442 17.739 33 HG2 GLU 23 HG2 GLU 23 2.166 2.378 17.918 34 HG3 GLU 23 HG3 GLU 23 2.733 3.435 16.620 35 H CYS 24 H CYS 24 0.084 3.884 13.937 36 HA CYS 24 HA CYS 24 2.414 2.793 12.420 37 HB2 CYS 24 HB2 CYS 24 -0.369 3.382 11.344 38 HB3 CYS 24 HB3 CYS 24 1.022 2.870 10.392 39 H THR 25 H THR 25 3.791 4.531 12.433 40 HA THR 25 HA THR 25 2.819 7.279 12.489 41 HB THR 25 HB THR 25 5.251 7.849 12.310 42 HG1 THR 25 HG1 THR 25 5.980 5.890 11.411 43 HG21 THR 25 HG21 THR 25 4.015 7.737 14.436 44 HG22 THR 25 HG22 THR 25 5.694 7.194 14.640 45 HG23 THR 25 HG23 THR 25 4.374 6.002 14.572 46 H VAL 26 H VAL 26 1.714 7.667 10.760 47 HA VAL 26 HA VAL 26 3.132 7.993 8.143 48 HB VAL 26 HB VAL 26 1.832 6.039 7.949 49 HG11 VAL 26 HG11 VAL 26 -0.537 5.861 7.993 50 HG12 VAL 26 HG12 VAL 26 -0.006 6.457 9.568 51 HG13 VAL 26 HG13 VAL 26 -0.745 7.568 8.398 52 HG21 VAL 26 HG21 VAL 26 0.619 8.310 6.338 53 HG22 VAL 26 HG22 VAL 26 2.138 7.456 5.987 54 HG23 VAL 26 HG23 VAL 26 0.591 6.589 5.925 55 HA PRO 27 HA PRO 27 1.410 12.082 9.372 56 HB2 PRO 27 HB2 PRO 27 3.562 13.630 8.714 57 HB3 PRO 27 HB3 PRO 27 3.489 12.682 10.228 58 HG2 PRO 27 HG2 PRO 27 4.817 11.896 7.610 59 HG3 PRO 27 HG3 PRO 27 5.525 11.872 9.258 60 HD2 PRO 27 HD2 PRO 27 4.460 9.644 8.123 61 HD3 PRO 27 HD3 PRO 27 4.268 9.969 9.871 62 H ILE 28 H ILE 28 1.020 14.024 8.021 63 HA ILE 28 HA ILE 28 0.073 13.484 5.421 64 HB ILE 28 HB ILE 28 -0.756 15.288 6.837 65 HG12 ILE 28 HG12 ILE 28 -0.969 17.117 5.202 66 HG13 ILE 28 HG13 ILE 28 0.297 16.411 4.204 67 HG21 ILE 28 HG21 ILE 28 0.427 17.406 7.125 68 HG22 ILE 28 HG22 ILE 28 1.391 16.094 7.800 69 HG23 ILE 28 HG23 ILE 28 1.825 16.794 6.224 70 HD11 ILE 28 HD11 ILE 28 -1.139 14.434 3.773 71 HD12 ILE 28 HD12 ILE 28 -2.369 15.075 4.889 72 HD13 ILE 28 HD13 ILE 28 -2.002 15.927 3.376 73 H GLY 29 H GLY 29 3.273 14.463 6.385 74 HA2 GLY 29 HA2 GLY 29 4.202 15.165 3.701 75 HA3 GLY 29 HA3 GLY 29 5.173 15.057 5.164 76 H TRP 30 H TRP 30 3.568 12.092 4.971 77 HA TRP 30 HA TRP 30 5.930 10.635 4.169 78 HB2 TRP 30 HB2 TRP 30 4.216 9.837 5.789 79 HB3 TRP 30 HB3 TRP 30 3.044 9.724 4.480 80 HD1 TRP 30 HD1 TRP 30 3.240 7.707 2.837 81 HE1 TRP 30 HE1 TRP 30 4.572 5.495 2.821 82 HE3 TRP 30 HE3 TRP 30 6.470 8.693 6.666 83 HZ2 TRP 30 HZ2 TRP 30 6.741 4.315 4.299 84 HZ3 TRP 30 HZ3 TRP 30 8.166 7.002 7.358 85 HH2 TRP 30 HH2 TRP 30 8.314 4.822 6.178 86 H SER 31 H SER 31 6.192 9.259 2.342 87 HA SER 31 HA SER 31 5.172 10.259 -0.210 88 HB2 SER 31 HB2 SER 31 6.659 8.484 -1.146 89 HB3 SER 31 HB3 SER 31 7.457 9.686 -0.127 90 HG SER 31 HG SER 31 6.691 7.052 0.634 91 H GLU 32 H GLU 32 2.933 9.826 0.451 92 HA GLU 32 HA GLU 32 1.800 7.198 0.571 93 HB2 GLU 32 HB2 GLU 32 0.593 9.845 -0.331 94 HB3 GLU 32 HB3 GLU 32 -0.337 8.369 -0.079 95 HG2 GLU 32 HG2 GLU 32 0.431 8.290 2.305 96 HG3 GLU 32 HG3 GLU 32 1.235 9.847 2.061 97 HA PRO 33 HA PRO 33 1.825 5.929 -3.710 98 HB2 PRO 33 HB2 PRO 33 -0.176 4.099 -3.809 99 HB3 PRO 33 HB3 PRO 33 1.302 3.857 -2.835 100 HG2 PRO 33 HG2 PRO 33 -1.372 4.908 -1.862 101 HG3 PRO 33 HG3 PRO 33 -0.409 3.549 -1.189 102 HD2 PRO 33 HD2 PRO 33 -0.236 6.069 -0.173 103 HD3 PRO 33 HD3 PRO 33 1.204 5.015 -0.286 104 H VAL 34 H VAL 34 0.334 5.744 -5.667 105 HA VAL 34 HA VAL 34 -1.627 7.999 -5.689 106 HB VAL 34 HB VAL 34 0.475 8.493 -6.817 107 HG11 VAL 34 HG11 VAL 34 0.940 6.234 -7.815 108 HG12 VAL 34 HG12 VAL 34 -0.398 6.504 -8.955 109 HG13 VAL 34 HG13 VAL 34 1.027 7.562 -8.985 110 HG21 VAL 34 HG21 VAL 34 -1.932 8.446 -8.670 111 HG22 VAL 34 HG22 VAL 34 -1.618 9.649 -7.397 112 HG23 VAL 34 HG23 VAL 34 -0.521 9.514 -8.779 113 H LYS 35 H LYS 35 -3.565 7.659 -6.260 114 HA LYS 35 HA LYS 35 -4.614 5.034 -7.029 115 HB2 LYS 35 HB2 LYS 35 -5.770 6.907 -5.617 116 HB3 LYS 35 HB3 LYS 35 -6.116 7.677 -7.164 117 HG2 LYS 35 HG2 LYS 35 -7.153 5.334 -7.811 118 HG3 LYS 35 HG3 LYS 35 -7.062 5.008 -6.073 119 HD2 LYS 35 HD2 LYS 35 -8.385 7.218 -5.786 120 HD3 LYS 35 HD3 LYS 35 -8.650 7.135 -7.550 121 HE2 LYS 35 HE2 LYS 35 -9.706 4.917 -7.300 122 HE3 LYS 35 HE3 LYS 35 -9.396 4.949 -5.557 123 HZ1 LYS 35 HZ1 LYS 35 -11.668 5.642 -6.052 124 HZ2 LYS 35 HZ2 LYS 35 -11.155 6.865 -7.001 125 HZ3 LYS 35 HZ3 LYS 35 -10.856 6.894 -5.395 126 H GLY 36 H GLY 36 -5.233 4.348 -9.024 127 HA2 GLY 36 HA2 GLY 36 -4.262 5.730 -11.411 128 HA3 GLY 36 HA3 GLY 36 -5.109 4.198 -11.378 129 H LEU 37 H LEU 37 -7.177 6.160 -9.769 130 HA LEU 37 HA LEU 37 -9.265 6.964 -10.212 131 HB2 LEU 37 HB2 LEU 37 -7.648 8.377 -12.351 132 HB3 LEU 37 HB3 LEU 37 -9.363 8.638 -12.223 133 HG LEU 37 HG LEU 37 -8.154 10.408 -11.185 134 HD11 LEU 37 HD11 LEU 37 -10.390 9.805 -10.319 135 HD12 LEU 37 HD12 LEU 37 -9.357 10.564 -9.098 136 HD13 LEU 37 HD13 LEU 37 -9.628 8.814 -9.056 137 HD21 LEU 37 HD21 LEU 37 -6.162 9.169 -10.387 138 HD22 LEU 37 HD22 LEU 37 -7.151 8.463 -9.088 139 HD23 LEU 37 HD23 LEU 37 -6.884 10.214 -9.150 140 H CYS 38 H CYS 38 -8.516 4.394 -11.464 141 HA CYS 38 HA CYS 38 -9.922 4.199 -14.016 142 HB2 CYS 38 HB2 CYS 38 -9.097 1.903 -12.236 143 HB3 CYS 38 HB3 CYS 38 -9.315 1.869 -13.974 144 H LYS 39 H LYS 39 -11.516 2.436 -14.374 145 HA LYS 39 HA LYS 39 -13.858 2.586 -12.605 146 HB2 LYS 39 HB2 LYS 39 -15.056 1.638 -14.455 147 HB3 LYS 39 HB3 LYS 39 -13.994 2.914 -15.030 148 HG2 LYS 39 HG2 LYS 39 -12.321 0.896 -15.536 149 HG3 LYS 39 HG3 LYS 39 -13.791 -0.078 -15.462 150 HD2 LYS 39 HD2 LYS 39 -13.258 2.311 -17.293 151 HD3 LYS 39 HD3 LYS 39 -13.242 0.607 -17.766 152 HE2 LYS 39 HE2 LYS 39 -15.651 0.411 -17.222 153 HE3 LYS 39 HE3 LYS 39 -15.684 2.103 -16.710 154 HZ1 LYS 39 HZ1 LYS 39 -15.030 1.195 -19.463 155 HZ2 LYS 39 HZ2 LYS 39 -15.111 2.757 -18.975 156 HZ3 LYS 39 HZ3 LYS 39 -16.461 1.836 -19.006 157 H ALA 40 H ALA 40 -11.285 0.716 -12.206 158 HA ALA 40 HA ALA 40 -12.806 -1.677 -11.253 159 HB1 ALA 40 HB1 ALA 40 -11.605 -2.180 -13.355 160 HB2 ALA 40 HB2 ALA 40 -10.078 -1.636 -12.620 161 HB3 ALA 40 HB3 ALA 40 -10.910 -3.073 -11.990 162 H ARG 41 H ARG 41 -11.650 -2.951 -9.633 163 HA ARG 41 HA ARG 41 -10.047 -1.333 -7.673 164 HB2 ARG 41 HB2 ARG 41 -12.424 -3.138 -7.089 165 HB3 ARG 41 HB3 ARG 41 -11.349 -2.419 -5.884 166 HG2 ARG 41 HG2 ARG 41 -12.007 -0.133 -6.752 167 HG3 ARG 41 HG3 ARG 41 -13.183 -0.930 -7.808 168 HD2 ARG 41 HD2 ARG 41 -14.384 -0.227 -5.855 169 HD3 ARG 41 HD3 ARG 41 -14.241 -1.977 -5.787 170 HE ARG 41 HE ARG 41 -12.789 -1.822 -3.929 171 HH11 ARG 41 HH11 ARG 41 -13.477 1.427 -5.029 172 HH12 ARG 41 HH12 ARG 41 -12.840 2.142 -3.571 173 HH21 ARG 41 HH21 ARG 41 -11.936 -0.886 -2.169 174 HH22 ARG 41 HH22 ARG 41 -12.029 0.853 -1.969 175 H PHE 42 H PHE 42 -8.103 -2.262 -8.129 176 HA PHE 42 HA PHE 42 -7.651 -5.146 -7.555 177 HB2 PHE 42 HB2 PHE 42 -5.565 -2.971 -7.863 178 HB3 PHE 42 HB3 PHE 42 -5.363 -4.710 -8.067 179 HD1 PHE 42 HD2 PHE 42 -7.792 -5.268 -9.886 180 HD2 PHE 42 HD1 PHE 42 -4.754 -2.195 -9.940 181 HE1 PHE 42 HE2 PHE 42 -8.181 -4.926 -12.303 182 HE2 PHE 42 HE1 PHE 42 -5.144 -1.868 -12.373 183 HZ PHE 42 HZ PHE 42 -6.870 -3.219 -13.549 184 H THR 43 H THR 43 -5.694 -5.476 -5.949 185 HA THR 43 HA THR 43 -6.035 -3.848 -3.456 186 HB THR 43 HB THR 43 -5.910 -6.886 -3.452 187 HG1 THR 43 HG1 THR 43 -7.885 -6.268 -4.303 188 HG21 THR 43 HG21 THR 43 -6.665 -6.601 -1.117 189 HG22 THR 43 HG22 THR 43 -6.646 -4.835 -1.318 190 HG23 THR 43 HG23 THR 43 -5.126 -5.765 -1.375 191 H ARG 44 H ARG 44 -4.115 -3.027 -2.962 192 HA ARG 44 HA ARG 44 -1.580 -4.642 -3.293 193 HB2 ARG 44 HB2 ARG 44 -1.941 -1.620 -3.411 194 HB3 ARG 44 HB3 ARG 44 -0.396 -2.459 -3.459 195 HG2 ARG 44 HG2 ARG 44 -2.561 -2.570 -5.589 196 HG3 ARG 44 HG3 ARG 44 -1.022 -1.711 -5.640 197 HD2 ARG 44 HD2 ARG 44 -0.395 -3.487 -6.857 198 HD3 ARG 44 HD3 ARG 44 0.023 -4.104 -5.268 199 HE ARG 44 HE ARG 44 -1.987 -5.475 -5.297 200 HH11 ARG 44 HH11 ARG 44 -2.041 -3.555 -8.187 201 HH12 ARG 44 HH12 ARG 44 -2.894 -4.779 -9.099 202 HH21 ARG 44 HH21 ARG 44 -3.122 -6.936 -6.412 203 HH22 ARG 44 HH22 ARG 44 -3.546 -6.651 -8.080 204 H TYR 45 H TYR 45 0.116 -4.039 -1.747 205 HA TYR 45 HA TYR 45 -0.888 -3.147 0.925 206 HB2 TYR 45 HB2 TYR 45 0.791 -5.614 0.371 207 HB3 TYR 45 HB3 TYR 45 0.377 -4.977 1.958 208 HD1 TYR 45 HD1 TYR 45 -1.985 -5.023 2.781 209 HD2 TYR 45 HD2 TYR 45 -0.840 -6.866 -0.948 210 HE1 TYR 45 HE1 TYR 45 -4.086 -6.388 2.789 211 HE2 TYR 45 HE2 TYR 45 -2.933 -8.200 -0.944 212 HH TYR 45 HH TYR 45 -4.853 -8.722 0.195 213 H TYR 46 H TYR 46 0.151 -1.263 1.134 214 HA TYR 46 HA TYR 46 3.027 -1.037 0.288 215 HB2 TYR 46 HB2 TYR 46 0.898 1.054 0.892 216 HB3 TYR 46 HB3 TYR 46 2.592 1.435 0.670 217 HD1 TYR 46 HD2 TYR 46 -0.455 0.204 -1.074 218 HD2 TYR 46 HD1 TYR 46 3.631 1.509 -1.502 219 HE1 TYR 46 HE2 TYR 46 -0.826 0.581 -3.514 220 HE2 TYR 46 HE1 TYR 46 3.263 1.861 -3.931 221 HH TYR 46 HH TYR 46 1.701 1.986 -5.605 222 H CYS 47 H CYS 47 4.631 -0.642 1.788 223 HA CYS 47 HA CYS 47 3.967 -0.753 4.655 224 HB2 CYS 47 HB2 CYS 47 5.928 -1.959 3.797 225 HB3 CYS 47 HB3 CYS 47 6.657 -0.420 3.311 226 H MET 48 H MET 48 3.114 1.006 5.494 227 HA MET 48 HA MET 48 3.805 3.748 4.561 228 HB2 MET 48 HB2 MET 48 1.646 2.729 6.459 229 HB3 MET 48 HB3 MET 48 1.805 4.380 5.857 230 HG2 MET 48 HG2 MET 48 1.211 1.899 4.225 231 HG3 MET 48 HG3 MET 48 0.110 3.224 4.590 232 HE1 MET 48 HE1 MET 48 0.241 5.603 3.606 233 HE2 MET 48 HE2 MET 48 1.946 5.829 4.050 234 HE3 MET 48 HE3 MET 48 1.413 6.139 2.386 235 H GLY 49 H GLY 49 5.584 2.058 6.416 236 HA2 GLY 49 HA2 GLY 49 7.251 3.026 7.899 237 HA3 GLY 49 HA3 GLY 49 6.029 4.103 8.562 238 H ASN 50 H ASN 50 7.345 0.879 8.582 239 HA ASN 50 HA ASN 50 7.156 -0.958 9.886 240 HB2 ASN 50 HB2 ASN 50 7.943 0.742 11.516 241 HB3 ASN 50 HB3 ASN 50 6.275 1.013 12.022 242 HD21 ASN 50 HD21 ASN 50 6.014 0.086 14.042 243 HD22 ASN 50 HD22 ASN 50 6.666 -1.498 14.455 244 H CYS 51 H CYS 51 4.596 0.111 8.506 245 HA CYS 51 HA CYS 51 2.836 -2.072 9.471 246 HB2 CYS 51 HB2 CYS 51 1.964 0.819 9.092 247 HB3 CYS 51 HB3 CYS 51 0.868 -0.551 9.211 248 H CYS 52 H CYS 52 2.636 -3.319 7.709 249 HA CYS 52 HA CYS 52 2.219 -2.436 4.969 250 HB2 CYS 52 HB2 CYS 52 1.399 -4.906 6.529 251 HB3 CYS 52 HB3 CYS 52 1.043 -4.673 4.830 252 H LYS 53 H LYS 53 0.593 -1.088 4.425 253 HA LYS 53 HA LYS 53 -2.141 -1.431 5.633 254 HB2 LYS 53 HB2 LYS 53 -1.046 0.754 6.103 255 HB3 LYS 53 HB3 LYS 53 -0.914 1.043 4.360 256 HG2 LYS 53 HG2 LYS 53 -3.346 1.016 4.119 257 HG3 LYS 53 HG3 LYS 53 -3.560 0.601 5.820 258 HD2 LYS 53 HD2 LYS 53 -2.274 3.167 4.775 259 HD3 LYS 53 HD3 LYS 53 -3.964 3.029 5.232 260 HE2 LYS 53 HE2 LYS 53 -1.619 2.569 7.136 261 HE3 LYS 53 HE3 LYS 53 -2.504 4.086 6.970 262 HZ1 LYS 53 HZ1 LYS 53 -4.532 2.918 7.664 263 HZ2 LYS 53 HZ2 LYS 53 -3.383 2.807 8.814 264 HZ3 LYS 53 HZ3 LYS 53 -3.708 1.519 7.868 265 H VAL 54 H VAL 54 -3.748 -1.985 4.316 266 HA VAL 54 HA VAL 54 -3.191 -2.715 1.558 267 HB VAL 54 HB VAL 54 -4.690 -3.999 3.086 268 HG11 VAL 54 HG11 VAL 54 -6.036 -2.084 3.990 269 HG12 VAL 54 HG12 VAL 54 -6.814 -1.940 2.393 270 HG13 VAL 54 HG13 VAL 54 -7.005 -3.417 3.342 271 HG21 VAL 54 HG21 VAL 54 -6.234 -4.685 1.353 272 HG22 VAL 54 HG22 VAL 54 -5.972 -3.180 0.450 273 HG23 VAL 54 HG23 VAL 54 -4.650 -4.353 0.639 274 H TYR 55 H TYR 55 -3.937 -1.809 -0.311 275 HA TYR 55 HA TYR 55 -5.487 0.741 -0.243 276 HB2 TYR 55 HB2 TYR 55 -2.811 0.244 -1.572 277 HB3 TYR 55 HB3 TYR 55 -3.943 1.407 -2.229 278 HD1 TYR 55 HD1 TYR 55 -1.819 0.661 0.735 279 HD2 TYR 55 HD2 TYR 55 -4.428 3.514 -1.176 280 HE1 TYR 55 HE1 TYR 55 -1.087 2.418 2.345 281 HE2 TYR 55 HE2 TYR 55 -3.715 5.256 0.446 282 HH TYR 55 HH TYR 55 -2.452 5.730 2.281 283 H GLU 56 H GLU 56 -6.979 0.957 -1.778 284 HA GLU 56 HA GLU 56 -7.256 -1.093 -3.923 285 HB2 GLU 56 HB2 GLU 56 -9.480 -0.157 -2.083 286 HB3 GLU 56 HB3 GLU 56 -9.618 -1.282 -3.445 287 HG2 GLU 56 HG2 GLU 56 -8.130 -2.883 -2.182 288 HG3 GLU 56 HG3 GLU 56 -8.130 -1.753 -0.829 289 H GLY 57 H GLY 57 -7.432 -0.106 -5.827 290 HA2 GLY 57 HA2 GLY 57 -9.069 1.789 -6.881 291 HA3 GLY 57 HA3 GLY 57 -7.986 2.813 -5.944 292 H CYS 58 H CYS 58 -7.689 0.079 -8.217 293 HA CYS 58 HA CYS 58 -6.331 -0.339 -9.993 294 HB2 CYS 58 HB2 CYS 58 -7.816 1.648 -10.569 295 HB3 CYS 58 HB3 CYS 58 -6.361 2.625 -10.474 296 H TYR 59 H TYR 59 -4.873 0.214 -7.475 297 HA TYR 59 HA TYR 59 -2.400 1.609 -8.041 298 HB2 TYR 59 HB2 TYR 59 -3.190 -0.337 -5.846 299 HB3 TYR 59 HB3 TYR 59 -1.643 0.501 -5.928 300 HD1 TYR 59 HD2 TYR 59 -1.466 2.916 -5.567 301 HD2 TYR 59 HD1 TYR 59 -5.219 0.850 -5.193 302 HE1 TYR 59 HE2 TYR 59 -2.439 4.876 -4.329 303 HE2 TYR 59 HE1 TYR 59 -6.207 2.848 -4.046 304 HH TYR 59 HH TYR 59 -5.835 4.953 -3.249 305 H THR 60 H THR 60 -1.010 0.914 -9.525 306 HA THR 60 HA THR 60 -0.493 -2.003 -9.938 307 HB THR 60 HB THR 60 0.661 -1.250 -12.017 308 HG1 THR 60 HG1 THR 60 1.164 0.846 -11.662 309 HG21 THR 60 HG21 THR 60 -1.705 -1.980 -12.045 310 HG22 THR 60 HG22 THR 60 -1.367 -0.732 -13.259 311 HG23 THR 60 HG23 THR 60 -2.221 -0.301 -11.766 312 H GLY 61 H GLY 61 0.887 0.527 -8.232 313 HA2 GLY 61 HA2 GLY 61 3.689 -0.470 -8.383 314 HA3 GLY 61 HA3 GLY 61 3.120 0.975 -7.547 315 H GLY 62 H GLY 62 4.675 -0.201 -6.001 316 HA2 GLY 62 HA2 GLY 62 4.936 -1.058 -3.872 317 HA3 GLY 62 HA3 GLY 62 3.176 -1.104 -3.734 318 H TYR 63 H TYR 63 3.903 -2.994 -2.397 319 HA TYR 63 HA TYR 63 4.501 -5.497 -3.815 320 HB2 TYR 63 HB2 TYR 63 3.649 -5.012 -0.949 321 HB3 TYR 63 HB3 TYR 63 4.290 -6.499 -1.601 322 HD1 TYR 63 HD2 TYR 63 6.699 -6.534 -2.484 323 HD2 TYR 63 HD1 TYR 63 5.104 -3.253 -0.184 324 HE1 TYR 63 HE2 TYR 63 9.017 -5.814 -1.893 325 HE2 TYR 63 HE1 TYR 63 7.417 -2.522 0.385 326 HH TYR 63 HH TYR 63 9.652 -2.914 0.110 327 H SER 64 H SER 64 3.042 -7.070 -4.371 328 HA SER 64 HA SER 64 0.200 -6.319 -4.498 329 HB2 SER 64 HB2 SER 64 -0.025 -8.308 -5.909 330 HB3 SER 64 HB3 SER 64 1.279 -7.245 -6.464 331 HG SER 64 HG SER 64 1.927 -9.450 -6.425 332 H ARG 65 H ARG 65 2.060 -8.055 -2.261 333 HA ARG 65 HA ARG 65 -0.339 -9.398 -1.060 334 HB2 ARG 65 HB2 ARG 65 2.407 -10.539 -1.692 335 HB3 ARG 65 HB3 ARG 65 1.396 -11.261 -0.449 336 HG2 ARG 65 HG2 ARG 65 0.260 -10.806 -3.222 337 HG3 ARG 65 HG3 ARG 65 1.335 -12.170 -2.935 338 HD2 ARG 65 HD2 ARG 65 -1.144 -11.655 -1.245 339 HD3 ARG 65 HD3 ARG 65 -1.159 -12.626 -2.731 340 HE ARG 65 HE ARG 65 0.918 -13.638 -1.089 341 HH11 ARG 65 HH11 ARG 65 -2.574 -13.593 -1.050 342 HH12 ARG 65 HH12 ARG 65 -2.676 -15.083 -0.150 343 HH21 ARG 65 HH21 ARG 65 0.735 -15.515 0.061 344 HH22 ARG 65 HH22 ARG 65 -0.837 -16.136 0.459 345 H MET 66 H MET 66 -0.391 -9.584 1.109 346 HA MET 66 HA MET 66 0.891 -7.713 2.811 347 HB2 MET 66 HB2 MET 66 -1.279 -8.910 3.227 348 HB3 MET 66 HB3 MET 66 -0.369 -10.389 3.547 349 HG2 MET 66 HG2 MET 66 -0.892 -9.442 5.664 350 HG3 MET 66 HG3 MET 66 0.824 -9.169 5.411 351 HE1 MET 66 HE1 MET 66 -2.540 -5.997 5.529 352 HE2 MET 66 HE2 MET 66 -2.618 -7.426 4.473 353 HE3 MET 66 HE3 MET 66 -2.610 -7.626 6.237 354 H GLY 67 H GLY 67 1.702 -11.138 2.131 355 HA2 GLY 67 HA2 GLY 67 3.917 -11.373 3.934 356 HA3 GLY 67 HA3 GLY 67 3.662 -12.344 2.484 357 H GLU 68 H GLU 68 3.745 -10.105 0.610 358 HA GLU 68 HA GLU 68 6.610 -10.004 0.195 359 HB2 GLU 68 HB2 GLU 68 4.248 -8.856 -1.304 360 HB3 GLU 68 HB3 GLU 68 5.923 -8.453 -1.717 361 HG2 GLU 68 HG2 GLU 68 6.481 -10.822 -1.987 362 HG3 GLU 68 HG3 GLU 68 4.823 -11.278 -1.570 363 H CYS 69 H CYS 69 4.274 -7.500 1.346 364 HA CYS 69 HA CYS 69 6.436 -5.539 1.622 365 HB2 CYS 69 HB2 CYS 69 4.847 -4.182 2.835 366 HB3 CYS 69 HB3 CYS 69 4.163 -4.802 1.341 367 H ALA 70 H ALA 70 4.881 -7.877 3.863 368 HA ALA 70 HA ALA 70 6.250 -7.033 6.186 369 HB1 ALA 70 HB1 ALA 70 5.428 -9.154 7.138 370 HB2 ALA 70 HB2 ALA 70 4.173 -8.347 6.180 371 HB3 ALA 70 HB3 ALA 70 5.045 -9.757 5.509 372 H ARG 71 H ARG 71 7.363 -9.400 3.740 373 HA ARG 71 HA ARG 71 9.610 -10.345 5.317 374 HB2 ARG 71 HB2 ARG 71 10.474 -11.326 3.300 375 HB3 ARG 71 HB3 ARG 71 8.740 -11.622 3.412 376 HG2 ARG 71 HG2 ARG 71 8.297 -9.847 1.794 377 HG3 ARG 71 HG3 ARG 71 10.009 -9.443 1.680 378 HD2 ARG 71 HD2 ARG 71 8.864 -12.166 0.950 379 HD3 ARG 71 HD3 ARG 71 9.055 -10.825 -0.191 380 HE ARG 71 HE ARG 71 11.502 -11.543 1.277 381 HH11 ARG 71 HH11 ARG 71 9.736 -12.133 -1.682 382 HH12 ARG 71 HH12 ARG 71 11.166 -12.625 -2.547 383 HH21 ARG 71 HH21 ARG 71 13.282 -12.181 0.134 384 HH22 ARG 71 HH22 ARG 71 13.118 -12.655 -1.530 385 H ASN 72 H ASN 72 9.213 -7.402 3.552 386 HA ASN 72 HA ASN 72 12.138 -6.822 3.627 387 HB2 ASN 72 HB2 ASN 72 9.811 -5.607 2.079 388 HB3 ASN 72 HB3 ASN 72 11.409 -4.867 2.144 389 HD21 ASN 72 HD21 ASN 72 13.298 -6.564 1.670 390 HD22 ASN 72 HD22 ASN 72 12.953 -7.554 0.254 391 H CYS 73 H CYS 73 9.043 -5.232 4.600 392 HA CYS 73 HA CYS 73 10.481 -3.190 6.115 393 HB2 CYS 73 HB2 CYS 73 7.723 -3.718 5.285 394 HB3 CYS 73 HB3 CYS 73 7.793 -3.257 6.976 395 HA PRO 74 HA PRO 74 10.902 -5.278 9.981 396 HB2 PRO 74 HB2 PRO 74 10.730 -3.300 11.857 397 HB3 PRO 74 HB3 PRO 74 12.055 -3.406 10.658 398 HG2 PRO 74 HG2 PRO 74 9.547 -1.705 10.504 399 HG3 PRO 74 HG3 PRO 74 11.245 -1.203 10.230 400 HD2 PRO 74 HD2 PRO 74 9.544 -1.860 8.199 401 HD3 PRO 74 HD3 PRO 74 11.297 -2.227 8.116 402 H GLY 75 H GLY 75 7.853 -3.924 9.257 403 HA2 GLY 75 HA2 GLY 75 6.417 -5.747 11.076 404 HA3 GLY 75 HA3 GLY 75 6.102 -4.011 11.293 Start of MODEL 13 1 H1 GLY 19 H1 GLY 19 -11.832 0.151 19.158 2 H2 GLY 19 H2 GLY 19 -12.725 1.517 19.275 3 H3 GLY 19 H3 GLY 19 -11.290 1.545 18.489 4 HA2 GLY 19 HA2 GLY 19 -11.058 2.573 20.660 5 HA3 GLY 19 HA3 GLY 19 -11.667 1.074 21.378 6 H ASP 20 H ASP 20 -8.897 2.714 20.086 7 HA ASP 20 HA ASP 20 -7.108 0.607 21.071 8 HB2 ASP 20 HB2 ASP 20 -7.640 0.268 18.545 9 HB3 ASP 20 HB3 ASP 20 -6.688 1.720 18.276 10 H LYS 21 H LYS 21 -4.887 1.421 21.092 11 HA LYS 21 HA LYS 21 -4.470 4.377 21.258 12 HB2 LYS 21 HB2 LYS 21 -3.823 2.404 23.504 13 HB3 LYS 21 HB3 LYS 21 -3.147 4.017 23.376 14 HG2 LYS 21 HG2 LYS 21 -4.805 4.473 24.814 15 HG3 LYS 21 HG3 LYS 21 -5.628 4.843 23.300 16 HD2 LYS 21 HD2 LYS 21 -6.776 2.610 23.420 17 HD3 LYS 21 HD3 LYS 21 -5.835 2.215 24.856 18 HE2 LYS 21 HE2 LYS 21 -8.047 2.880 25.534 19 HE3 LYS 21 HE3 LYS 21 -6.883 4.087 26.084 20 HZ1 LYS 21 HZ1 LYS 21 -8.589 4.367 23.662 21 HZ2 LYS 21 HZ2 LYS 21 -7.557 5.502 24.224 22 HZ3 LYS 21 HZ3 LYS 21 -8.874 5.097 25.094 23 H GLU 22 H GLU 22 -3.293 1.335 20.235 24 HA GLU 22 HA GLU 22 -0.565 2.460 19.732 25 HB2 GLU 22 HB2 GLU 22 -1.163 -0.242 20.991 26 HB3 GLU 22 HB3 GLU 22 0.409 0.272 20.357 27 HG2 GLU 22 HG2 GLU 22 0.409 2.185 21.966 28 HG3 GLU 22 HG3 GLU 22 -1.089 1.569 22.670 29 H GLU 23 H GLU 23 -1.566 2.842 17.650 30 HA GLU 23 HA GLU 23 -1.272 0.484 15.837 31 HB2 GLU 23 HB2 GLU 23 -2.923 1.410 14.382 32 HB3 GLU 23 HB3 GLU 23 -3.623 1.204 15.977 33 HG2 GLU 23 HG2 GLU 23 -2.617 3.870 14.870 34 HG3 GLU 23 HG3 GLU 23 -4.267 3.301 14.734 35 H CYS 24 H CYS 24 -0.696 1.105 13.570 36 HA CYS 24 HA CYS 24 1.665 2.827 13.544 37 HB2 CYS 24 HB2 CYS 24 1.424 0.667 12.272 38 HB3 CYS 24 HB3 CYS 24 0.234 1.464 11.238 39 H THR 25 H THR 25 1.774 4.924 12.929 40 HA THR 25 HA THR 25 -0.254 6.106 11.118 41 HB THR 25 HB THR 25 -0.338 8.183 12.450 42 HG1 THR 25 HG1 THR 25 0.338 8.087 14.622 43 HG21 THR 25 HG21 THR 25 -1.254 5.812 14.125 44 HG22 THR 25 HG22 THR 25 -2.136 6.479 12.732 45 HG23 THR 25 HG23 THR 25 -1.877 7.472 14.175 46 H VAL 26 H VAL 26 0.431 8.094 10.142 47 HA VAL 26 HA VAL 26 3.281 8.845 10.213 48 HB VAL 26 HB VAL 26 3.299 9.020 7.693 49 HG11 VAL 26 HG11 VAL 26 3.959 6.756 7.289 50 HG12 VAL 26 HG12 VAL 26 4.468 7.203 8.921 51 HG13 VAL 26 HG13 VAL 26 3.042 6.166 8.692 52 HG21 VAL 26 HG21 VAL 26 1.835 7.651 6.345 53 HG22 VAL 26 HG22 VAL 26 0.914 7.133 7.767 54 HG23 VAL 26 HG23 VAL 26 0.874 8.833 7.239 55 HA PRO 27 HA PRO 27 1.402 12.875 9.961 56 HB2 PRO 27 HB2 PRO 27 3.289 14.433 8.721 57 HB3 PRO 27 HB3 PRO 27 3.489 13.785 10.377 58 HG2 PRO 27 HG2 PRO 27 4.552 12.617 7.784 59 HG3 PRO 27 HG3 PRO 27 5.456 12.939 9.300 60 HD2 PRO 27 HD2 PRO 27 4.494 10.475 8.746 61 HD3 PRO 27 HD3 PRO 27 4.421 11.118 10.409 62 H ILE 28 H ILE 28 0.506 14.470 8.481 63 HA ILE 28 HA ILE 28 -0.440 13.446 5.966 64 HB ILE 28 HB ILE 28 -1.673 15.065 7.393 65 HG12 ILE 28 HG12 ILE 28 -2.527 16.552 5.623 66 HG13 ILE 28 HG13 ILE 28 -1.205 16.088 4.560 67 HG21 ILE 28 HG21 ILE 28 0.237 16.539 8.025 68 HG22 ILE 28 HG22 ILE 28 0.274 17.171 6.365 69 HG23 ILE 28 HG23 ILE 28 -1.147 17.436 7.390 70 HD11 ILE 28 HD11 ILE 28 -3.308 14.181 5.697 71 HD12 ILE 28 HD12 ILE 28 -3.345 14.901 4.076 72 HD13 ILE 28 HD13 ILE 28 -2.060 13.762 4.497 73 H GLY 29 H GLY 29 0.114 14.050 3.850 74 HA2 GLY 29 HA2 GLY 29 1.463 14.807 2.108 75 HA3 GLY 29 HA3 GLY 29 2.360 15.804 3.245 76 H TRP 30 H TRP 30 2.229 12.413 4.073 77 HA TRP 30 HA TRP 30 5.036 11.913 3.671 78 HB2 TRP 30 HB2 TRP 30 3.543 10.819 5.355 79 HB3 TRP 30 HB3 TRP 30 2.704 9.987 4.052 80 HD1 TRP 30 HD1 TRP 30 3.898 7.914 2.988 81 HE1 TRP 30 HE1 TRP 30 5.987 6.516 3.585 82 HE3 TRP 30 HE3 TRP 30 5.914 10.973 6.529 83 HZ2 TRP 30 HZ2 TRP 30 8.247 6.730 5.361 84 HZ3 TRP 30 HZ3 TRP 30 8.059 10.371 7.665 85 HH2 TRP 30 HH2 TRP 30 9.229 8.258 7.080 86 H SER 31 H SER 31 5.806 10.063 2.272 87 HA SER 31 HA SER 31 5.044 10.433 -0.531 88 HB2 SER 31 HB2 SER 31 7.384 10.075 0.223 89 HB3 SER 31 HB3 SER 31 6.967 8.410 0.670 90 HG SER 31 HG SER 31 7.849 8.596 -1.470 91 H GLU 32 H GLU 32 2.956 9.744 -0.806 92 HA GLU 32 HA GLU 32 2.287 6.881 -0.286 93 HB2 GLU 32 HB2 GLU 32 -0.100 7.741 -0.856 94 HB3 GLU 32 HB3 GLU 32 0.607 7.988 0.725 95 HG2 GLU 32 HG2 GLU 32 -0.660 9.920 -0.019 96 HG3 GLU 32 HG3 GLU 32 1.007 10.315 0.306 97 HA PRO 33 HA PRO 33 2.268 5.960 -4.624 98 HB2 PRO 33 HB2 PRO 33 0.403 3.980 -4.851 99 HB3 PRO 33 HB3 PRO 33 1.960 3.768 -3.997 100 HG2 PRO 33 HG2 PRO 33 -0.741 4.442 -2.779 101 HG3 PRO 33 HG3 PRO 33 0.392 3.146 -2.284 102 HD2 PRO 33 HD2 PRO 33 0.361 5.544 -1.017 103 HD3 PRO 33 HD3 PRO 33 1.897 4.697 -1.323 104 H VAL 34 H VAL 34 1.147 6.332 -6.579 105 HA VAL 34 HA VAL 34 -1.077 8.238 -6.410 106 HB VAL 34 HB VAL 34 0.815 8.633 -7.883 107 HG11 VAL 34 HG11 VAL 34 -0.344 6.506 -9.726 108 HG12 VAL 34 HG12 VAL 34 1.052 7.555 -10.037 109 HG13 VAL 34 HG13 VAL 34 1.147 6.310 -8.777 110 HG21 VAL 34 HG21 VAL 34 -0.462 9.521 -9.746 111 HG22 VAL 34 HG22 VAL 34 -1.836 8.471 -9.358 112 HG23 VAL 34 HG23 VAL 34 -1.346 9.759 -8.232 113 H LYS 35 H LYS 35 -3.117 7.882 -6.742 114 HA LYS 35 HA LYS 35 -4.200 5.187 -7.152 115 HB2 LYS 35 HB2 LYS 35 -5.192 7.101 -5.713 116 HB3 LYS 35 HB3 LYS 35 -5.782 7.787 -7.233 117 HG2 LYS 35 HG2 LYS 35 -6.883 5.507 -7.665 118 HG3 LYS 35 HG3 LYS 35 -6.427 5.056 -6.027 119 HD2 LYS 35 HD2 LYS 35 -8.231 7.396 -6.781 120 HD3 LYS 35 HD3 LYS 35 -8.790 5.797 -6.287 121 HE2 LYS 35 HE2 LYS 35 -7.662 6.057 -4.090 122 HE3 LYS 35 HE3 LYS 35 -7.054 7.644 -4.575 123 HZ1 LYS 35 HZ1 LYS 35 -9.361 8.411 -4.735 124 HZ2 LYS 35 HZ2 LYS 35 -9.066 7.844 -3.236 125 HZ3 LYS 35 HZ3 LYS 35 -9.929 6.945 -4.287 126 H GLY 36 H GLY 36 -5.094 4.319 -8.958 127 HA2 GLY 36 HA2 GLY 36 -4.438 5.449 -11.569 128 HA3 GLY 36 HA3 GLY 36 -5.270 3.935 -11.274 129 H LEU 37 H LEU 37 -7.153 5.949 -9.599 130 HA LEU 37 HA LEU 37 -9.170 6.966 -9.824 131 HB2 LEU 37 HB2 LEU 37 -8.182 8.012 -12.487 132 HB3 LEU 37 HB3 LEU 37 -9.414 8.715 -11.453 133 HG LEU 37 HG LEU 37 -6.436 8.565 -10.819 134 HD11 LEU 37 HD11 LEU 37 -7.030 10.155 -12.600 135 HD12 LEU 37 HD12 LEU 37 -6.511 10.993 -11.127 136 HD13 LEU 37 HD13 LEU 37 -8.240 10.907 -11.536 137 HD21 LEU 37 HD21 LEU 37 -8.717 9.879 -9.273 138 HD22 LEU 37 HD22 LEU 37 -6.982 10.068 -8.926 139 HD23 LEU 37 HD23 LEU 37 -7.747 8.488 -8.739 140 H CYS 38 H CYS 38 -8.819 4.281 -11.137 141 HA CYS 38 HA CYS 38 -10.561 4.170 -13.463 142 HB2 CYS 38 HB2 CYS 38 -9.690 1.869 -11.700 143 HB3 CYS 38 HB3 CYS 38 -10.176 1.775 -13.385 144 H LYS 39 H LYS 39 -12.409 2.607 -13.605 145 HA LYS 39 HA LYS 39 -14.518 3.029 -11.670 146 HB2 LYS 39 HB2 LYS 39 -15.853 1.617 -13.057 147 HB3 LYS 39 HB3 LYS 39 -14.882 2.651 -14.101 148 HG2 LYS 39 HG2 LYS 39 -13.306 0.736 -14.496 149 HG3 LYS 39 HG3 LYS 39 -14.316 -0.285 -13.457 150 HD2 LYS 39 HD2 LYS 39 -16.250 0.079 -15.004 151 HD3 LYS 39 HD3 LYS 39 -15.211 1.075 -16.030 152 HE2 LYS 39 HE2 LYS 39 -15.299 -1.066 -17.052 153 HE3 LYS 39 HE3 LYS 39 -13.687 -0.902 -16.350 154 HZ1 LYS 39 HZ1 LYS 39 -14.444 -2.290 -14.483 155 HZ2 LYS 39 HZ2 LYS 39 -14.682 -3.081 -15.888 156 HZ3 LYS 39 HZ3 LYS 39 -15.948 -2.401 -15.118 157 H ALA 40 H ALA 40 -11.998 0.711 -11.744 158 HA ALA 40 HA ALA 40 -13.328 -1.049 -9.725 159 HB1 ALA 40 HB1 ALA 40 -12.849 -2.134 -11.905 160 HB2 ALA 40 HB2 ALA 40 -11.131 -1.695 -11.748 161 HB3 ALA 40 HB3 ALA 40 -11.866 -2.837 -10.608 162 H ARG 41 H ARG 41 -11.875 -2.108 -8.218 163 HA ARG 41 HA ARG 41 -9.426 -0.596 -7.476 164 HB2 ARG 41 HB2 ARG 41 -10.044 -0.555 -5.123 165 HB3 ARG 41 HB3 ARG 41 -11.095 0.411 -6.151 166 HG2 ARG 41 HG2 ARG 41 -12.815 -1.431 -6.020 167 HG3 ARG 41 HG3 ARG 41 -11.749 -2.254 -4.858 168 HD2 ARG 41 HD2 ARG 41 -11.779 -0.156 -3.452 169 HD3 ARG 41 HD3 ARG 41 -12.989 0.509 -4.573 170 HE ARG 41 HE ARG 41 -13.668 -2.120 -3.537 171 HH11 ARG 41 HH11 ARG 41 -13.914 1.271 -2.725 172 HH12 ARG 41 HH12 ARG 41 -15.263 1.024 -1.651 173 HH21 ARG 41 HH21 ARG 41 -15.397 -2.382 -2.148 174 HH22 ARG 41 HH22 ARG 41 -16.070 -1.002 -1.333 175 H PHE 42 H PHE 42 -7.980 -2.047 -8.059 176 HA PHE 42 HA PHE 42 -7.867 -4.813 -7.221 177 HB2 PHE 42 HB2 PHE 42 -5.508 -2.974 -7.693 178 HB3 PHE 42 HB3 PHE 42 -5.577 -4.715 -7.923 179 HD1 PHE 42 HD1 PHE 42 -8.141 -4.909 -9.597 180 HD2 PHE 42 HD2 PHE 42 -4.764 -2.225 -9.773 181 HE1 PHE 42 HE1 PHE 42 -8.615 -4.466 -11.987 182 HE2 PHE 42 HE2 PHE 42 -5.236 -1.797 -12.172 183 HZ PHE 42 HZ PHE 42 -7.171 -2.900 -13.276 184 H THR 43 H THR 43 -5.895 -5.447 -5.758 185 HA THR 43 HA THR 43 -5.820 -3.746 -3.280 186 HB THR 43 HB THR 43 -5.774 -6.782 -3.336 187 HG1 THR 43 HG1 THR 43 -7.877 -6.596 -2.526 188 HG21 THR 43 HG21 THR 43 -6.190 -6.549 -0.918 189 HG22 THR 43 HG22 THR 43 -6.188 -4.780 -1.068 190 HG23 THR 43 HG23 THR 43 -4.695 -5.705 -1.348 191 H ARG 44 H ARG 44 -3.870 -2.900 -3.081 192 HA ARG 44 HA ARG 44 -1.394 -4.544 -3.612 193 HB2 ARG 44 HB2 ARG 44 -1.839 -1.565 -4.055 194 HB3 ARG 44 HB3 ARG 44 -0.258 -2.362 -4.065 195 HG2 ARG 44 HG2 ARG 44 -2.509 -2.786 -6.036 196 HG3 ARG 44 HG3 ARG 44 -0.918 -2.068 -6.305 197 HD2 ARG 44 HD2 ARG 44 -0.074 -4.437 -5.375 198 HD3 ARG 44 HD3 ARG 44 -1.645 -4.982 -5.965 199 HE ARG 44 HE ARG 44 0.653 -3.889 -7.429 200 HH11 ARG 44 HH11 ARG 44 -2.623 -5.062 -7.792 201 HH12 ARG 44 HH12 ARG 44 -2.460 -5.381 -9.494 202 HH21 ARG 44 HH21 ARG 44 0.797 -4.264 -9.656 203 HH22 ARG 44 HH22 ARG 44 -0.519 -5.030 -10.499 204 H TYR 45 H TYR 45 0.461 -3.819 -2.307 205 HA TYR 45 HA TYR 45 -0.295 -2.682 0.350 206 HB2 TYR 45 HB2 TYR 45 1.257 -5.235 -0.205 207 HB3 TYR 45 HB3 TYR 45 1.123 -4.456 1.359 208 HD1 TYR 45 HD2 TYR 45 -0.758 -6.283 -1.262 209 HD2 TYR 45 HD1 TYR 45 -0.923 -4.593 2.711 210 HE1 TYR 45 HE2 TYR 45 -2.854 -7.549 -0.809 211 HE2 TYR 45 HE1 TYR 45 -2.987 -5.913 3.170 212 HH TYR 45 HH TYR 45 -4.464 -8.074 0.741 213 H TYR 46 H TYR 46 1.142 -1.356 1.265 214 HA TYR 46 HA TYR 46 3.817 -0.930 0.013 215 HB2 TYR 46 HB2 TYR 46 1.627 1.151 0.452 216 HB3 TYR 46 HB3 TYR 46 3.297 1.548 0.115 217 HD1 TYR 46 HD1 TYR 46 0.219 0.028 -1.342 218 HD2 TYR 46 HD2 TYR 46 4.196 1.512 -2.108 219 HE1 TYR 46 HE1 TYR 46 -0.290 0.125 -3.784 220 HE2 TYR 46 HE2 TYR 46 3.682 1.597 -4.549 221 HH TYR 46 HH TYR 46 0.488 0.668 -5.844 222 H CYS 47 H CYS 47 5.384 -0.706 1.575 223 HA CYS 47 HA CYS 47 4.632 -0.377 4.363 224 HB2 CYS 47 HB2 CYS 47 7.305 -0.658 2.968 225 HB3 CYS 47 HB3 CYS 47 7.081 -0.523 4.712 226 H MET 48 H MET 48 4.554 1.412 5.487 227 HA MET 48 HA MET 48 5.377 4.006 4.229 228 HB2 MET 48 HB2 MET 48 3.417 3.549 6.498 229 HB3 MET 48 HB3 MET 48 3.776 5.067 5.660 230 HG2 MET 48 HG2 MET 48 3.066 3.845 3.492 231 HG3 MET 48 HG3 MET 48 2.390 2.616 4.559 232 HE1 MET 48 HE1 MET 48 1.857 5.918 2.724 233 HE2 MET 48 HE2 MET 48 0.800 6.872 3.784 234 HE3 MET 48 HE3 MET 48 2.490 6.598 4.250 235 H GLY 49 H GLY 49 6.850 1.933 6.200 236 HA2 GLY 49 HA2 GLY 49 9.042 3.214 6.915 237 HA3 GLY 49 HA3 GLY 49 7.983 3.880 8.162 238 H ASN 50 H ASN 50 6.828 2.314 9.517 239 HA ASN 50 HA ASN 50 8.366 -0.206 10.059 240 HB2 ASN 50 HB2 ASN 50 7.196 1.789 12.037 241 HB3 ASN 50 HB3 ASN 50 7.872 0.215 12.462 242 HD21 ASN 50 HD21 ASN 50 8.695 3.516 11.948 243 HD22 ASN 50 HD22 ASN 50 10.434 3.245 11.947 244 H CYS 51 H CYS 51 5.652 0.476 8.611 245 HA CYS 51 HA CYS 51 4.494 -2.079 9.385 246 HB2 CYS 51 HB2 CYS 51 2.263 -1.291 9.745 247 HB3 CYS 51 HB3 CYS 51 3.322 -0.432 10.848 248 H CYS 52 H CYS 52 2.699 -2.661 7.843 249 HA CYS 52 HA CYS 52 3.180 -1.646 5.074 250 HB2 CYS 52 HB2 CYS 52 4.142 -3.846 5.404 251 HB3 CYS 52 HB3 CYS 52 2.619 -4.455 6.054 252 H LYS 53 H LYS 53 1.529 -0.509 4.373 253 HA LYS 53 HA LYS 53 -1.224 -0.924 5.453 254 HB2 LYS 53 HB2 LYS 53 -0.119 1.312 5.654 255 HB3 LYS 53 HB3 LYS 53 -0.010 1.398 3.890 256 HG2 LYS 53 HG2 LYS 53 -2.482 1.292 3.740 257 HG3 LYS 53 HG3 LYS 53 -2.597 1.175 5.507 258 HD2 LYS 53 HD2 LYS 53 -1.570 3.420 5.709 259 HD3 LYS 53 HD3 LYS 53 -1.399 3.499 3.939 260 HE2 LYS 53 HE2 LYS 53 -3.860 3.288 3.694 261 HE3 LYS 53 HE3 LYS 53 -4.031 3.273 5.455 262 HZ1 LYS 53 HZ1 LYS 53 -4.371 5.504 4.535 263 HZ2 LYS 53 HZ2 LYS 53 -2.874 5.511 3.878 264 HZ3 LYS 53 HZ3 LYS 53 -3.057 5.505 5.504 265 H VAL 54 H VAL 54 -2.887 -1.501 4.173 266 HA VAL 54 HA VAL 54 -2.401 -2.389 1.408 267 HB VAL 54 HB VAL 54 -3.780 -3.680 3.020 268 HG11 VAL 54 HG11 VAL 54 -5.937 -1.609 2.545 269 HG12 VAL 54 HG12 VAL 54 -6.076 -3.127 3.451 270 HG13 VAL 54 HG13 VAL 54 -5.041 -1.827 4.070 271 HG21 VAL 54 HG21 VAL 54 -5.439 -4.396 1.426 272 HG22 VAL 54 HG22 VAL 54 -5.287 -2.888 0.502 273 HG23 VAL 54 HG23 VAL 54 -3.931 -4.038 0.580 274 H TYR 55 H TYR 55 -3.347 -1.559 -0.420 275 HA TYR 55 HA TYR 55 -4.705 1.098 -0.337 276 HB2 TYR 55 HB2 TYR 55 -2.125 0.332 -1.714 277 HB3 TYR 55 HB3 TYR 55 -3.192 1.496 -2.462 278 HD1 TYR 55 HD1 TYR 55 -0.983 0.935 0.477 279 HD2 TYR 55 HD2 TYR 55 -3.605 3.688 -1.562 280 HE1 TYR 55 HE1 TYR 55 -0.097 2.822 1.855 281 HE2 TYR 55 HE2 TYR 55 -2.740 5.553 -0.175 282 HH TYR 55 HH TYR 55 -1.289 6.178 1.457 283 H GLU 56 H GLU 56 -6.505 1.060 -1.444 284 HA GLU 56 HA GLU 56 -6.886 -0.868 -3.673 285 HB2 GLU 56 HB2 GLU 56 -9.076 -0.056 -1.740 286 HB3 GLU 56 HB3 GLU 56 -9.109 -1.295 -2.979 287 HG2 GLU 56 HG2 GLU 56 -8.695 -2.739 -1.330 288 HG3 GLU 56 HG3 GLU 56 -7.024 -2.225 -1.426 289 H GLY 57 H GLY 57 -7.087 0.135 -5.544 290 HA2 GLY 57 HA2 GLY 57 -8.841 2.138 -6.404 291 HA3 GLY 57 HA3 GLY 57 -7.533 3.029 -5.635 292 H CYS 58 H CYS 58 -7.678 0.198 -7.775 293 HA CYS 58 HA CYS 58 -6.655 -0.382 -9.720 294 HB2 CYS 58 HB2 CYS 58 -8.156 1.616 -10.211 295 HB3 CYS 58 HB3 CYS 58 -6.678 2.540 -10.414 296 H TYR 59 H TYR 59 -4.840 0.361 -7.477 297 HA TYR 59 HA TYR 59 -2.419 1.576 -8.442 298 HB2 TYR 59 HB2 TYR 59 -2.941 -0.313 -6.109 299 HB3 TYR 59 HB3 TYR 59 -1.439 0.553 -6.388 300 HD1 TYR 59 HD1 TYR 59 -1.377 3.071 -6.262 301 HD2 TYR 59 HD2 TYR 59 -4.817 0.770 -5.058 302 HE1 TYR 59 HE1 TYR 59 -2.270 5.037 -5.003 303 HE2 TYR 59 HE2 TYR 59 -5.725 2.777 -3.862 304 HH TYR 59 HH TYR 59 -5.363 4.930 -3.230 305 H THR 60 H THR 60 -0.872 0.741 -9.726 306 HA THR 60 HA THR 60 -0.826 -2.179 -10.312 307 HB THR 60 HB THR 60 0.524 -1.486 -12.301 308 HG1 THR 60 HG1 THR 60 1.312 0.488 -11.848 309 HG21 THR 60 HG21 THR 60 -1.928 -1.848 -12.445 310 HG22 THR 60 HG22 THR 60 -1.367 -0.585 -13.556 311 HG23 THR 60 HG23 THR 60 -2.202 -0.136 -12.058 312 H GLY 61 H GLY 61 1.095 0.211 -8.715 313 HA2 GLY 61 HA2 GLY 61 3.638 -1.258 -8.853 314 HA3 GLY 61 HA3 GLY 61 3.317 0.262 -8.018 315 H GLY 62 H GLY 62 4.637 -0.696 -6.360 316 HA2 GLY 62 HA2 GLY 62 4.776 -1.298 -4.139 317 HA3 GLY 62 HA3 GLY 62 3.034 -1.571 -4.144 318 H TYR 63 H TYR 63 3.824 -3.217 -2.582 319 HA TYR 63 HA TYR 63 4.795 -5.779 -3.669 320 HB2 TYR 63 HB2 TYR 63 3.584 -5.025 -0.990 321 HB3 TYR 63 HB3 TYR 63 4.219 -6.606 -1.402 322 HD1 TYR 63 HD2 TYR 63 6.704 -6.871 -1.925 323 HD2 TYR 63 HD1 TYR 63 5.046 -3.265 -0.234 324 HE1 TYR 63 HE2 TYR 63 8.954 -6.235 -1.065 325 HE2 TYR 63 HE1 TYR 63 7.300 -2.636 0.628 326 HH TYR 63 HH TYR 63 9.512 -3.210 0.761 327 H SER 64 H SER 64 3.513 -7.405 -4.321 328 HA SER 64 HA SER 64 0.832 -6.865 -5.180 329 HB2 SER 64 HB2 SER 64 2.254 -9.549 -4.985 330 HB3 SER 64 HB3 SER 64 0.795 -9.196 -5.933 331 HG SER 64 HG SER 64 2.718 -9.089 -7.203 332 H ARG 65 H ARG 65 2.058 -8.526 -2.318 333 HA ARG 65 HA ARG 65 -0.683 -8.776 -1.185 334 HB2 ARG 65 HB2 ARG 65 1.389 -11.002 -1.156 335 HB3 ARG 65 HB3 ARG 65 -0.205 -11.025 -0.401 336 HG2 ARG 65 HG2 ARG 65 -1.108 -10.636 -2.848 337 HG3 ARG 65 HG3 ARG 65 0.514 -11.155 -3.334 338 HD2 ARG 65 HD2 ARG 65 -0.697 -13.137 -3.363 339 HD3 ARG 65 HD3 ARG 65 0.096 -13.196 -1.772 340 HE ARG 65 HE ARG 65 -2.464 -11.931 -1.509 341 HH11 ARG 65 HH11 ARG 65 -1.253 -15.139 -2.142 342 HH12 ARG 65 HH12 ARG 65 -2.712 -15.909 -1.574 343 HH21 ARG 65 HH21 ARG 65 -4.293 -12.941 -0.797 344 HH22 ARG 65 HH22 ARG 65 -4.392 -14.675 -0.828 345 H MET 66 H MET 66 -0.667 -9.192 1.134 346 HA MET 66 HA MET 66 1.146 -7.502 2.564 347 HB2 MET 66 HB2 MET 66 -1.329 -8.246 3.079 348 HB3 MET 66 HB3 MET 66 -0.564 -9.569 3.961 349 HG2 MET 66 HG2 MET 66 0.674 -7.910 5.332 350 HG3 MET 66 HG3 MET 66 0.028 -6.604 4.334 351 HE1 MET 66 HE1 MET 66 -0.618 -5.390 6.623 352 HE2 MET 66 HE2 MET 66 -1.681 -5.119 5.221 353 HE3 MET 66 HE3 MET 66 -2.385 -5.377 6.832 354 H GLY 67 H GLY 67 1.291 -10.959 1.871 355 HA2 GLY 67 HA2 GLY 67 3.237 -11.669 3.902 356 HA3 GLY 67 HA3 GLY 67 2.881 -12.569 2.426 357 H GLU 68 H GLU 68 3.474 -10.429 0.594 358 HA GLU 68 HA GLU 68 6.318 -10.794 0.243 359 HB2 GLU 68 HB2 GLU 68 4.097 -9.346 -1.195 360 HB3 GLU 68 HB3 GLU 68 5.759 -8.963 -1.604 361 HG2 GLU 68 HG2 GLU 68 4.617 -10.716 -3.024 362 HG3 GLU 68 HG3 GLU 68 6.238 -11.071 -2.432 363 H CYS 69 H CYS 69 4.403 -7.892 1.222 364 HA CYS 69 HA CYS 69 6.717 -6.190 1.535 365 HB2 CYS 69 HB2 CYS 69 5.303 -4.721 2.726 366 HB3 CYS 69 HB3 CYS 69 4.444 -5.329 1.332 367 H ALA 70 H ALA 70 5.054 -8.333 3.867 368 HA ALA 70 HA ALA 70 6.622 -7.631 6.127 369 HB1 ALA 70 HB1 ALA 70 5.037 -10.168 5.526 370 HB2 ALA 70 HB2 ALA 70 5.547 -9.608 7.134 371 HB3 ALA 70 HB3 ALA 70 4.380 -8.659 6.200 372 H ARG 71 H ARG 71 7.779 -9.343 3.437 373 HA ARG 71 HA ARG 71 9.774 -11.041 4.761 374 HB2 ARG 71 HB2 ARG 71 9.904 -9.731 2.000 375 HB3 ARG 71 HB3 ARG 71 10.937 -11.027 2.619 376 HG2 ARG 71 HG2 ARG 71 8.835 -12.442 2.885 377 HG3 ARG 71 HG3 ARG 71 7.960 -11.166 2.038 378 HD2 ARG 71 HD2 ARG 71 8.452 -12.774 0.396 379 HD3 ARG 71 HD3 ARG 71 9.550 -11.436 0.090 380 HE ARG 71 HE ARG 71 10.201 -14.121 1.243 381 HH11 ARG 71 HH11 ARG 71 11.557 -11.142 -0.017 382 HH12 ARG 71 HH12 ARG 71 13.162 -11.816 -0.088 383 HH21 ARG 71 HH21 ARG 71 12.237 -14.904 1.113 384 HH22 ARG 71 HH22 ARG 71 13.527 -13.897 0.529 385 H ASN 72 H ASN 72 9.676 -7.754 3.630 386 HA ASN 72 HA ASN 72 12.418 -7.092 4.633 387 HB2 ASN 72 HB2 ASN 72 10.397 -5.632 2.861 388 HB3 ASN 72 HB3 ASN 72 11.856 -4.869 3.491 389 HD21 ASN 72 HD21 ASN 72 10.638 -7.131 1.085 390 HD22 ASN 72 HD22 ASN 72 12.214 -7.398 0.357 391 H CYS 73 H CYS 73 9.070 -5.881 4.917 392 HA CYS 73 HA CYS 73 9.660 -4.041 7.075 393 HB2 CYS 73 HB2 CYS 73 7.019 -5.012 5.912 394 HB3 CYS 73 HB3 CYS 73 7.269 -3.528 6.819 395 HA PRO 74 HA PRO 74 9.114 -6.718 10.468 396 HB2 PRO 74 HB2 PRO 74 8.064 -5.220 12.493 397 HB3 PRO 74 HB3 PRO 74 9.673 -4.906 11.774 398 HG2 PRO 74 HG2 PRO 74 7.035 -3.593 11.064 399 HG3 PRO 74 HG3 PRO 74 8.580 -2.782 11.495 400 HD2 PRO 74 HD2 PRO 74 7.863 -3.146 8.915 401 HD3 PRO 74 HD3 PRO 74 9.563 -3.377 9.420 402 H GLY 75 H GLY 75 6.167 -5.593 9.121 403 HA2 GLY 75 HA2 GLY 75 4.094 -6.646 8.875 404 HA3 GLY 75 HA3 GLY 75 4.696 -8.004 9.822 Start of MODEL 14 1 H1 GLY 19 H1 GLY 19 6.540 -2.594 27.592 2 H2 GLY 19 H2 GLY 19 6.065 -3.160 29.054 3 H3 GLY 19 H3 GLY 19 5.196 -3.524 27.714 4 HA2 GLY 19 HA2 GLY 19 4.062 -1.840 29.006 5 HA3 GLY 19 HA3 GLY 19 5.508 -0.825 28.864 6 H ASP 20 H ASP 20 5.480 0.629 27.246 7 HA ASP 20 HA ASP 20 3.395 0.785 25.280 8 HB2 ASP 20 HB2 ASP 20 4.561 2.736 24.499 9 HB3 ASP 20 HB3 ASP 20 4.559 2.734 26.255 10 H LYS 21 H LYS 21 3.767 1.031 22.955 11 HA LYS 21 HA LYS 21 5.843 -0.689 21.698 12 HB2 LYS 21 HB2 LYS 21 2.835 -0.996 21.244 13 HB3 LYS 21 HB3 LYS 21 4.097 -1.791 20.299 14 HG2 LYS 21 HG2 LYS 21 4.893 -2.956 22.358 15 HG3 LYS 21 HG3 LYS 21 3.544 -2.236 23.262 16 HD2 LYS 21 HD2 LYS 21 1.938 -3.304 21.682 17 HD3 LYS 21 HD3 LYS 21 3.282 -4.117 20.872 18 HE2 LYS 21 HE2 LYS 21 2.561 -4.412 23.829 19 HE3 LYS 21 HE3 LYS 21 2.041 -5.521 22.559 20 HZ1 LYS 21 HZ1 LYS 21 4.013 -6.360 23.667 21 HZ2 LYS 21 HZ2 LYS 21 4.870 -5.019 23.312 22 HZ3 LYS 21 HZ3 LYS 21 4.384 -6.025 22.115 23 H GLU 22 H GLU 22 5.880 -0.456 19.361 24 HA GLU 22 HA GLU 22 5.661 2.291 18.396 25 HB2 GLU 22 HB2 GLU 22 7.444 0.686 17.756 26 HB3 GLU 22 HB3 GLU 22 6.247 -0.320 16.933 27 HG2 GLU 22 HG2 GLU 22 5.868 1.380 15.260 28 HG3 GLU 22 HG3 GLU 22 6.739 2.593 16.208 29 H GLU 23 H GLU 23 4.401 2.904 16.442 30 HA GLU 23 HA GLU 23 1.777 1.490 16.187 31 HB2 GLU 23 HB2 GLU 23 2.225 4.478 16.559 32 HB3 GLU 23 HB3 GLU 23 0.689 3.721 16.126 33 HG2 GLU 23 HG2 GLU 23 0.748 2.412 18.254 34 HG3 GLU 23 HG3 GLU 23 2.216 3.274 18.723 35 H CYS 24 H CYS 24 0.580 1.928 14.327 36 HA CYS 24 HA CYS 24 2.191 2.353 11.874 37 HB2 CYS 24 HB2 CYS 24 1.007 0.212 12.325 38 HB3 CYS 24 HB3 CYS 24 -0.527 1.075 12.324 39 H THR 25 H THR 25 1.720 4.750 13.107 40 HA THR 25 HA THR 25 -0.713 6.090 12.252 41 HB THR 25 HB THR 25 0.578 8.178 12.842 42 HG1 THR 25 HG1 THR 25 2.532 7.854 13.942 43 HG21 THR 25 HG21 THR 25 0.580 7.760 15.253 44 HG22 THR 25 HG22 THR 25 0.557 6.005 14.982 45 HG23 THR 25 HG23 THR 25 -0.835 7.003 14.505 46 H VAL 26 H VAL 26 -0.939 7.724 10.703 47 HA VAL 26 HA VAL 26 1.048 7.854 8.479 48 HB VAL 26 HB VAL 26 -1.910 7.402 8.039 49 HG11 VAL 26 HG11 VAL 26 -1.200 7.174 5.656 50 HG12 VAL 26 HG12 VAL 26 -0.888 8.795 6.272 51 HG13 VAL 26 HG13 VAL 26 0.452 7.642 6.118 52 HG21 VAL 26 HG21 VAL 26 -0.875 5.297 8.754 53 HG22 VAL 26 HG22 VAL 26 -1.207 5.250 7.024 54 HG23 VAL 26 HG23 VAL 26 0.453 5.529 7.593 55 HA PRO 27 HA PRO 27 -0.336 12.130 9.518 56 HB2 PRO 27 HB2 PRO 27 2.074 13.379 9.329 57 HB3 PRO 27 HB3 PRO 27 1.617 12.406 10.760 58 HG2 PRO 27 HG2 PRO 27 3.291 11.539 8.380 59 HG3 PRO 27 HG3 PRO 27 3.666 11.348 10.123 60 HD2 PRO 27 HD2 PRO 27 2.530 9.357 8.617 61 HD3 PRO 27 HD3 PRO 27 2.135 9.569 10.349 62 H ILE 28 H ILE 28 -0.239 14.108 8.175 63 HA ILE 28 HA ILE 28 -0.477 13.667 5.339 64 HB ILE 28 HB ILE 28 -1.722 15.385 6.576 65 HG12 ILE 28 HG12 ILE 28 -0.027 16.659 4.391 66 HG13 ILE 28 HG13 ILE 28 -1.295 15.465 4.085 67 HG21 ILE 28 HG21 ILE 28 0.121 16.165 8.091 68 HG22 ILE 28 HG22 ILE 28 0.878 16.977 6.706 69 HG23 ILE 28 HG23 ILE 28 -0.719 17.487 7.284 70 HD11 ILE 28 HD11 ILE 28 -2.182 17.678 3.713 71 HD12 ILE 28 HD12 ILE 28 -2.969 16.978 5.141 72 HD13 ILE 28 HD13 ILE 28 -1.698 18.213 5.330 73 H GLY 29 H GLY 29 0.864 14.359 3.651 74 HA2 GLY 29 HA2 GLY 29 2.801 15.023 2.554 75 HA3 GLY 29 HA3 GLY 29 3.511 15.497 4.091 76 H TRP 30 H TRP 30 2.494 12.229 4.269 77 HA TRP 30 HA TRP 30 5.167 11.142 4.205 78 HB2 TRP 30 HB2 TRP 30 3.227 10.320 5.578 79 HB3 TRP 30 HB3 TRP 30 2.476 9.720 4.103 80 HD1 TRP 30 HD1 TRP 30 3.562 7.617 2.966 81 HE1 TRP 30 HE1 TRP 30 5.291 5.837 3.709 82 HE3 TRP 30 HE3 TRP 30 5.228 9.858 7.253 83 HZ2 TRP 30 HZ2 TRP 30 7.180 5.494 5.852 84 HZ3 TRP 30 HZ3 TRP 30 6.979 8.767 8.647 85 HH2 TRP 30 HH2 TRP 30 7.963 6.596 7.955 86 H SER 31 H SER 31 5.845 9.388 2.773 87 HA SER 31 HA SER 31 5.530 9.999 -0.088 88 HB2 SER 31 HB2 SER 31 7.208 7.920 1.368 89 HB3 SER 31 HB3 SER 31 7.254 8.236 -0.376 90 HG SER 31 HG SER 31 7.815 10.157 1.664 91 H GLU 32 H GLU 32 3.095 9.360 0.533 92 HA GLU 32 HA GLU 32 2.356 6.554 0.256 93 HB2 GLU 32 HB2 GLU 32 0.068 7.444 -0.077 94 HB3 GLU 32 HB3 GLU 32 0.854 8.069 1.367 95 HG2 GLU 32 HG2 GLU 32 1.303 10.203 0.234 96 HG3 GLU 32 HG3 GLU 32 0.624 9.579 -1.269 97 HA PRO 33 HA PRO 33 2.559 6.149 -4.192 98 HB2 PRO 33 HB2 PRO 33 0.560 4.361 -4.759 99 HB3 PRO 33 HB3 PRO 33 2.059 3.921 -3.878 100 HG2 PRO 33 HG2 PRO 33 -0.644 4.670 -2.705 101 HG3 PRO 33 HG3 PRO 33 0.344 3.221 -2.336 102 HD2 PRO 33 HD2 PRO 33 0.459 5.406 -0.766 103 HD3 PRO 33 HD3 PRO 33 1.950 4.505 -1.156 104 H VAL 34 H VAL 34 1.347 6.402 -6.220 105 HA VAL 34 HA VAL 34 -0.756 8.498 -6.049 106 HB VAL 34 HB VAL 34 1.274 9.018 -7.272 107 HG11 VAL 34 HG11 VAL 34 1.744 6.794 -8.318 108 HG12 VAL 34 HG12 VAL 34 0.345 7.032 -9.388 109 HG13 VAL 34 HG13 VAL 34 1.738 8.126 -9.487 110 HG21 VAL 34 HG21 VAL 34 0.196 10.064 -9.182 111 HG22 VAL 34 HG22 VAL 34 -1.198 8.980 -9.043 112 HG23 VAL 34 HG23 VAL 34 -0.853 10.165 -7.761 113 H LYS 35 H LYS 35 -2.745 8.222 -6.727 114 HA LYS 35 HA LYS 35 -3.720 5.535 -7.426 115 HB2 LYS 35 HB2 LYS 35 -4.846 7.315 -5.897 116 HB3 LYS 35 HB3 LYS 35 -5.343 8.104 -7.394 117 HG2 LYS 35 HG2 LYS 35 -6.322 5.767 -8.044 118 HG3 LYS 35 HG3 LYS 35 -6.069 5.331 -6.359 119 HD2 LYS 35 HD2 LYS 35 -7.759 7.622 -7.436 120 HD3 LYS 35 HD3 LYS 35 -8.391 6.100 -6.839 121 HE2 LYS 35 HE2 LYS 35 -6.854 8.172 -5.183 122 HE3 LYS 35 HE3 LYS 35 -8.610 8.009 -5.227 123 HZ1 LYS 35 HZ1 LYS 35 -8.326 5.743 -4.305 124 HZ2 LYS 35 HZ2 LYS 35 -7.749 6.895 -3.305 125 HZ3 LYS 35 HZ3 LYS 35 -6.702 5.998 -4.162 126 H GLY 36 H GLY 36 -4.445 4.835 -9.342 127 HA2 GLY 36 HA2 GLY 36 -3.899 6.298 -11.834 128 HA3 GLY 36 HA3 GLY 36 -4.493 4.650 -11.668 129 H LEU 37 H LEU 37 -6.625 6.147 -9.805 130 HA LEU 37 HA LEU 37 -8.841 6.661 -9.940 131 HB2 LEU 37 HB2 LEU 37 -7.730 8.470 -12.116 132 HB3 LEU 37 HB3 LEU 37 -9.417 8.471 -11.659 133 HG LEU 37 HG LEU 37 -8.697 8.926 -9.253 134 HD11 LEU 37 HD11 LEU 37 -6.268 8.506 -9.453 135 HD12 LEU 37 HD12 LEU 37 -6.574 10.187 -9.019 136 HD13 LEU 37 HD13 LEU 37 -6.134 9.767 -10.690 137 HD21 LEU 37 HD21 LEU 37 -8.213 10.958 -11.460 138 HD22 LEU 37 HD22 LEU 37 -8.549 11.340 -9.751 139 HD23 LEU 37 HD23 LEU 37 -9.781 10.535 -10.738 140 H CYS 38 H CYS 38 -7.899 4.393 -11.650 141 HA CYS 38 HA CYS 38 -9.544 4.398 -14.020 142 HB2 CYS 38 HB2 CYS 38 -8.743 2.307 -14.567 143 HB3 CYS 38 HB3 CYS 38 -7.413 3.122 -13.799 144 H LYS 39 H LYS 39 -10.903 2.406 -14.543 145 HA LYS 39 HA LYS 39 -13.388 2.693 -13.027 146 HB2 LYS 39 HB2 LYS 39 -12.728 1.091 -15.544 147 HB3 LYS 39 HB3 LYS 39 -14.327 1.257 -14.836 148 HG2 LYS 39 HG2 LYS 39 -14.480 2.874 -16.402 149 HG3 LYS 39 HG3 LYS 39 -13.941 3.841 -15.033 150 HD2 LYS 39 HD2 LYS 39 -11.602 3.776 -15.965 151 HD3 LYS 39 HD3 LYS 39 -12.199 2.791 -17.317 152 HE2 LYS 39 HE2 LYS 39 -13.764 4.647 -17.924 153 HE3 LYS 39 HE3 LYS 39 -13.116 5.614 -16.594 154 HZ1 LYS 39 HZ1 LYS 39 -10.933 5.533 -17.695 155 HZ2 LYS 39 HZ2 LYS 39 -12.045 6.185 -18.692 156 HZ3 LYS 39 HZ3 LYS 39 -11.546 4.653 -18.929 157 H ALA 40 H ALA 40 -10.905 0.824 -12.246 158 HA ALA 40 HA ALA 40 -12.548 -1.311 -10.971 159 HB1 ALA 40 HB1 ALA 40 -9.829 -1.603 -12.333 160 HB2 ALA 40 HB2 ALA 40 -10.674 -2.886 -11.434 161 HB3 ALA 40 HB3 ALA 40 -11.371 -2.246 -12.934 162 H ARG 41 H ARG 41 -11.306 -2.321 -9.116 163 HA ARG 41 HA ARG 41 -9.354 -0.519 -7.754 164 HB2 ARG 41 HB2 ARG 41 -11.856 -1.620 -6.409 165 HB3 ARG 41 HB3 ARG 41 -10.509 -0.810 -5.600 166 HG2 ARG 41 HG2 ARG 41 -10.956 1.193 -7.147 167 HG3 ARG 41 HG3 ARG 41 -12.477 0.407 -7.581 168 HD2 ARG 41 HD2 ARG 41 -11.603 1.179 -4.763 169 HD3 ARG 41 HD3 ARG 41 -12.726 2.099 -5.778 170 HE ARG 41 HE ARG 41 -13.806 -0.485 -5.620 171 HH11 ARG 41 HH11 ARG 41 -13.124 2.045 -3.314 172 HH12 ARG 41 HH12 ARG 41 -14.416 1.560 -2.249 173 HH21 ARG 41 HH21 ARG 41 -15.413 -1.089 -4.219 174 HH22 ARG 41 HH22 ARG 41 -15.671 -0.184 -2.758 175 H PHE 42 H PHE 42 -7.614 -1.741 -7.771 176 HA PHE 42 HA PHE 42 -7.729 -4.642 -7.158 177 HB2 PHE 42 HB2 PHE 42 -5.287 -3.018 -7.893 178 HB3 PHE 42 HB3 PHE 42 -5.509 -4.753 -8.014 179 HD1 PHE 42 HD1 PHE 42 -7.633 -5.473 -9.570 180 HD2 PHE 42 HD2 PHE 42 -5.411 -1.786 -9.907 181 HE1 PHE 42 HE1 PHE 42 -8.423 -5.202 -11.906 182 HE2 PHE 42 HE2 PHE 42 -6.203 -1.526 -12.239 183 HZ PHE 42 HZ PHE 42 -7.711 -3.229 -13.241 184 H THR 43 H THR 43 -6.279 -5.583 -5.620 185 HA THR 43 HA THR 43 -6.093 -3.940 -3.127 186 HB THR 43 HB THR 43 -6.087 -6.972 -3.338 187 HG1 THR 43 HG1 THR 43 -8.065 -6.145 -4.064 188 HG21 THR 43 HG21 THR 43 -5.176 -6.033 -1.211 189 HG22 THR 43 HG22 THR 43 -6.727 -6.851 -0.971 190 HG23 THR 43 HG23 THR 43 -6.668 -5.079 -1.020 191 H ARG 44 H ARG 44 -4.120 -3.084 -2.901 192 HA ARG 44 HA ARG 44 -1.717 -4.872 -3.061 193 HB2 ARG 44 HB2 ARG 44 -1.614 -1.919 -3.728 194 HB3 ARG 44 HB3 ARG 44 -0.327 -3.104 -3.903 195 HG2 ARG 44 HG2 ARG 44 -2.877 -2.930 -5.537 196 HG3 ARG 44 HG3 ARG 44 -1.285 -2.425 -6.065 197 HD2 ARG 44 HD2 ARG 44 -1.850 -5.317 -5.312 198 HD3 ARG 44 HD3 ARG 44 -2.245 -4.665 -6.901 199 HE ARG 44 HE ARG 44 0.547 -4.398 -5.861 200 HH11 ARG 44 HH11 ARG 44 -1.525 -5.964 -8.229 201 HH12 ARG 44 HH12 ARG 44 -0.158 -6.470 -9.182 202 HH21 ARG 44 HH21 ARG 44 2.155 -5.042 -7.065 203 HH22 ARG 44 HH22 ARG 44 1.915 -5.955 -8.543 204 H TYR 45 H TYR 45 -0.014 -4.294 -1.703 205 HA TYR 45 HA TYR 45 -0.862 -3.073 0.905 206 HB2 TYR 45 HB2 TYR 45 0.678 -5.639 0.378 207 HB3 TYR 45 HB3 TYR 45 0.391 -4.930 1.960 208 HD1 TYR 45 HD1 TYR 45 -1.954 -4.714 2.837 209 HD2 TYR 45 HD2 TYR 45 -1.055 -6.928 -0.749 210 HE1 TYR 45 HE1 TYR 45 -4.067 -6.056 3.114 211 HE2 TYR 45 HE2 TYR 45 -3.162 -8.213 -0.503 212 HH TYR 45 HH TYR 45 -5.011 -8.603 0.792 213 H TYR 46 H TYR 46 0.250 -1.176 0.814 214 HA TYR 46 HA TYR 46 3.123 -1.186 -0.033 215 HB2 TYR 46 HB2 TYR 46 1.106 1.041 0.484 216 HB3 TYR 46 HB3 TYR 46 2.809 1.350 0.237 217 HD1 TYR 46 HD1 TYR 46 -0.259 0.020 -1.444 218 HD2 TYR 46 HD2 TYR 46 3.807 1.393 -1.920 219 HE1 TYR 46 HE1 TYR 46 -0.623 0.276 -3.903 220 HE2 TYR 46 HE2 TYR 46 3.437 1.626 -4.371 221 HH TYR 46 HH TYR 46 1.878 1.680 -6.027 222 H CYS 47 H CYS 47 4.830 -0.740 1.393 223 HA CYS 47 HA CYS 47 4.369 -0.770 4.253 224 HB2 CYS 47 HB2 CYS 47 6.857 -0.381 2.571 225 HB3 CYS 47 HB3 CYS 47 6.821 -0.454 4.330 226 H MET 48 H MET 48 3.590 0.955 5.260 227 HA MET 48 HA MET 48 4.505 3.718 4.573 228 HB2 MET 48 HB2 MET 48 2.263 2.888 6.449 229 HB3 MET 48 HB3 MET 48 2.743 4.532 5.988 230 HG2 MET 48 HG2 MET 48 2.372 3.648 3.523 231 HG3 MET 48 HG3 MET 48 1.440 2.382 4.314 232 HE1 MET 48 HE1 MET 48 0.353 6.796 3.687 233 HE2 MET 48 HE2 MET 48 1.871 6.373 4.510 234 HE3 MET 48 HE3 MET 48 1.571 5.828 2.839 235 H GLY 49 H GLY 49 6.608 2.858 5.232 236 HA2 GLY 49 HA2 GLY 49 8.417 3.090 6.665 237 HA3 GLY 49 HA3 GLY 49 7.344 3.711 7.918 238 H ASN 50 H ASN 50 6.584 2.316 9.497 239 HA ASN 50 HA ASN 50 8.171 -0.136 9.758 240 HB2 ASN 50 HB2 ASN 50 7.703 -0.067 12.059 241 HB3 ASN 50 HB3 ASN 50 8.108 1.562 11.552 242 HD21 ASN 50 HD21 ASN 50 6.654 3.193 12.317 243 HD22 ASN 50 HD22 ASN 50 5.041 2.767 12.905 244 H CYS 51 H CYS 51 5.065 0.386 8.623 245 HA CYS 51 HA CYS 51 4.232 -2.436 9.084 246 HB2 CYS 51 HB2 CYS 51 1.954 -1.638 9.552 247 HB3 CYS 51 HB3 CYS 51 3.091 -1.061 10.771 248 H CYS 52 H CYS 52 2.624 -3.181 7.513 249 HA CYS 52 HA CYS 52 2.592 -1.681 4.948 250 HB2 CYS 52 HB2 CYS 52 1.370 -4.378 5.553 251 HB3 CYS 52 HB3 CYS 52 1.599 -3.622 3.978 252 H LYS 53 H LYS 53 0.692 -1.005 3.960 253 HA LYS 53 HA LYS 53 -1.891 -1.106 5.472 254 HB2 LYS 53 HB2 LYS 53 -0.703 1.134 5.699 255 HB3 LYS 53 HB3 LYS 53 -0.826 1.305 3.941 256 HG2 LYS 53 HG2 LYS 53 -3.353 1.042 4.206 257 HG3 LYS 53 HG3 LYS 53 -3.109 1.098 5.956 258 HD2 LYS 53 HD2 LYS 53 -2.164 3.380 5.744 259 HD3 LYS 53 HD3 LYS 53 -2.265 3.263 3.980 260 HE2 LYS 53 HE2 LYS 53 -4.117 4.580 4.662 261 HE3 LYS 53 HE3 LYS 53 -4.738 3.014 4.135 262 HZ1 LYS 53 HZ1 LYS 53 -4.327 3.821 6.972 263 HZ2 LYS 53 HZ2 LYS 53 -4.931 2.378 6.486 264 HZ3 LYS 53 HZ3 LYS 53 -5.770 3.749 6.215 265 H VAL 54 H VAL 54 -3.577 -1.731 4.264 266 HA VAL 54 HA VAL 54 -3.235 -2.313 1.407 267 HB VAL 54 HB VAL 54 -4.530 -3.737 3.087 268 HG11 VAL 54 HG11 VAL 54 -5.957 -1.923 4.032 269 HG12 VAL 54 HG12 VAL 54 -6.798 -1.815 2.462 270 HG13 VAL 54 HG13 VAL 54 -6.875 -3.307 3.412 271 HG21 VAL 54 HG21 VAL 54 -6.052 -4.525 1.358 272 HG22 VAL 54 HG22 VAL 54 -5.841 -3.017 0.442 273 HG23 VAL 54 HG23 VAL 54 -4.474 -4.125 0.665 274 H TYR 55 H TYR 55 -4.287 -1.307 -0.277 275 HA TYR 55 HA TYR 55 -5.228 1.486 0.304 276 HB2 TYR 55 HB2 TYR 55 -3.468 0.316 -1.793 277 HB3 TYR 55 HB3 TYR 55 -4.534 1.629 -2.277 278 HD1 TYR 55 HD2 TYR 55 -1.938 0.700 0.234 279 HD2 TYR 55 HD1 TYR 55 -4.225 3.846 -1.580 280 HE1 TYR 55 HE2 TYR 55 -0.571 2.414 1.480 281 HE2 TYR 55 HE1 TYR 55 -2.869 5.561 -0.360 282 HH TYR 55 HH TYR 55 -1.292 5.904 1.245 283 H GLU 56 H GLU 56 -5.812 -0.585 -2.462 284 HA GLU 56 HA GLU 56 -7.737 -1.289 -3.550 285 HB2 GLU 56 HB2 GLU 56 -9.299 -0.452 -1.097 286 HB3 GLU 56 HB3 GLU 56 -9.907 -1.358 -2.480 287 HG2 GLU 56 HG2 GLU 56 -8.258 -3.172 -1.993 288 HG3 GLU 56 HG3 GLU 56 -7.710 -2.269 -0.585 289 H GLY 57 H GLY 57 -7.178 0.352 -5.051 290 HA2 GLY 57 HA2 GLY 57 -9.348 2.173 -5.683 291 HA3 GLY 57 HA3 GLY 57 -8.043 3.048 -4.907 292 H CYS 58 H CYS 58 -7.043 0.464 -6.939 293 HA CYS 58 HA CYS 58 -6.112 0.265 -8.988 294 HB2 CYS 58 HB2 CYS 58 -8.088 1.567 -9.771 295 HB3 CYS 58 HB3 CYS 58 -7.099 3.014 -9.727 296 H TYR 59 H TYR 59 -4.113 0.092 -8.202 297 HA TYR 59 HA TYR 59 -2.309 2.481 -8.172 298 HB2 TYR 59 HB2 TYR 59 -2.747 0.398 -6.008 299 HB3 TYR 59 HB3 TYR 59 -1.291 1.365 -6.102 300 HD1 TYR 59 HD1 TYR 59 -1.354 3.834 -5.880 301 HD2 TYR 59 HD2 TYR 59 -4.807 1.367 -5.132 302 HE1 TYR 59 HE1 TYR 59 -2.412 5.722 -4.677 303 HE2 TYR 59 HE2 TYR 59 -5.894 3.258 -3.940 304 HH TYR 59 HH TYR 59 -4.279 6.369 -3.372 305 H THR 60 H THR 60 -2.176 -1.053 -7.847 306 HA THR 60 HA THR 60 -0.831 -2.696 -8.535 307 HB THR 60 HB THR 60 -0.357 -2.880 -10.912 308 HG1 THR 60 HG1 THR 60 0.142 -0.695 -11.385 309 HG21 THR 60 HG21 THR 60 -2.646 -2.762 -11.693 310 HG22 THR 60 HG22 THR 60 -3.088 -1.654 -10.384 311 HG23 THR 60 HG23 THR 60 -2.633 -3.338 -10.017 312 H GLY 61 H GLY 61 0.832 0.096 -7.975 313 HA2 GLY 61 HA2 GLY 61 3.457 -0.743 -8.967 314 HA3 GLY 61 HA3 GLY 61 3.093 0.670 -7.987 315 H GLY 62 H GLY 62 1.765 -1.220 -5.982 316 HA2 GLY 62 HA2 GLY 62 4.206 -1.801 -4.378 317 HA3 GLY 62 HA3 GLY 62 2.566 -1.573 -3.771 318 H TYR 63 H TYR 63 3.717 -3.563 -2.639 319 HA TYR 63 HA TYR 63 3.874 -6.090 -3.866 320 HB2 TYR 63 HB2 TYR 63 3.207 -5.337 -1.008 321 HB3 TYR 63 HB3 TYR 63 3.724 -6.935 -1.523 322 HD1 TYR 63 HD1 TYR 63 6.053 -7.205 -2.571 323 HD2 TYR 63 HD2 TYR 63 4.812 -3.630 -0.492 324 HE1 TYR 63 HE1 TYR 63 8.434 -6.571 -2.234 325 HE2 TYR 63 HE2 TYR 63 7.203 -3.002 -0.159 326 HH TYR 63 HH TYR 63 9.887 -5.002 -1.421 327 H SER 64 H SER 64 2.510 -7.827 -4.117 328 HA SER 64 HA SER 64 -0.357 -7.294 -4.331 329 HB2 SER 64 HB2 SER 64 -0.383 -9.555 -5.363 330 HB3 SER 64 HB3 SER 64 0.781 -8.450 -6.115 331 HG SER 64 HG SER 64 1.691 -10.530 -5.707 332 H ARG 65 H ARG 65 1.633 -8.755 -1.922 333 HA ARG 65 HA ARG 65 -0.771 -9.585 -0.349 334 HB2 ARG 65 HB2 ARG 65 1.688 -11.255 -0.985 335 HB3 ARG 65 HB3 ARG 65 0.801 -11.496 0.518 336 HG2 ARG 65 HG2 ARG 65 -1.265 -11.962 -0.728 337 HG3 ARG 65 HG3 ARG 65 -0.394 -11.773 -2.267 338 HD2 ARG 65 HD2 ARG 65 1.068 -13.639 -1.752 339 HD3 ARG 65 HD3 ARG 65 0.455 -13.729 -0.089 340 HE ARG 65 HE ARG 65 -1.720 -14.100 -1.914 341 HH11 ARG 65 HH11 ARG 65 1.061 -15.861 -0.741 342 HH12 ARG 65 HH12 ARG 65 0.285 -17.410 -0.925 343 HH21 ARG 65 HH21 ARG 65 -2.671 -16.102 -2.120 344 HH22 ARG 65 HH22 ARG 65 -1.777 -17.531 -1.693 345 H MET 66 H MET 66 -0.532 -9.498 1.869 346 HA MET 66 HA MET 66 1.238 -7.526 2.945 347 HB2 MET 66 HB2 MET 66 -1.031 -8.173 3.799 348 HB3 MET 66 HB3 MET 66 -0.306 -9.620 4.513 349 HG2 MET 66 HG2 MET 66 1.180 -8.237 5.883 350 HG3 MET 66 HG3 MET 66 0.619 -6.769 5.086 351 HE1 MET 66 HE1 MET 66 -2.905 -6.150 6.545 352 HE2 MET 66 HE2 MET 66 -1.576 -5.535 5.540 353 HE3 MET 66 HE3 MET 66 -2.541 -6.927 4.994 354 H GLY 67 H GLY 67 1.521 -11.049 2.714 355 HA2 GLY 67 HA2 GLY 67 3.850 -11.396 4.366 356 HA3 GLY 67 HA3 GLY 67 3.360 -12.450 3.038 357 H GLU 68 H GLU 68 3.518 -10.446 0.940 358 HA GLU 68 HA GLU 68 6.341 -10.649 0.307 359 HB2 GLU 68 HB2 GLU 68 4.049 -9.254 -1.110 360 HB3 GLU 68 HB3 GLU 68 5.688 -9.370 -1.749 361 HG2 GLU 68 HG2 GLU 68 3.893 -11.744 -1.106 362 HG3 GLU 68 HG3 GLU 68 4.156 -11.056 -2.705 363 H CYS 69 H CYS 69 4.305 -7.957 1.440 364 HA CYS 69 HA CYS 69 6.498 -6.015 1.274 365 HB2 CYS 69 HB2 CYS 69 4.970 -4.485 2.253 366 HB3 CYS 69 HB3 CYS 69 4.094 -5.438 1.089 367 H ALA 70 H ALA 70 4.979 -7.829 4.013 368 HA ALA 70 HA ALA 70 6.701 -6.706 5.966 369 HB1 ALA 70 HB1 ALA 70 4.448 -7.634 6.395 370 HB2 ALA 70 HB2 ALA 70 5.053 -9.274 6.059 371 HB3 ALA 70 HB3 ALA 70 5.665 -8.364 7.457 372 H ARG 71 H ARG 71 7.396 -9.446 3.844 373 HA ARG 71 HA ARG 71 9.621 -10.466 5.442 374 HB2 ARG 71 HB2 ARG 71 10.456 -11.504 3.418 375 HB3 ARG 71 HB3 ARG 71 8.741 -11.847 3.649 376 HG2 ARG 71 HG2 ARG 71 8.128 -10.345 1.867 377 HG3 ARG 71 HG3 ARG 71 9.751 -9.659 1.776 378 HD2 ARG 71 HD2 ARG 71 9.437 -11.138 -0.085 379 HD3 ARG 71 HD3 ARG 71 10.652 -11.808 1.014 380 HE ARG 71 HE ARG 71 7.935 -12.813 1.486 381 HH11 ARG 71 HH11 ARG 71 10.775 -13.378 -0.476 382 HH12 ARG 71 HH12 ARG 71 10.366 -15.050 -0.753 383 HH21 ARG 71 HH21 ARG 71 7.442 -14.921 1.051 384 HH22 ARG 71 HH22 ARG 71 8.530 -15.901 0.113 385 H ASN 72 H ASN 72 9.272 -7.644 3.484 386 HA ASN 72 HA ASN 72 12.207 -7.238 3.247 387 HB2 ASN 72 HB2 ASN 72 10.327 -7.068 1.333 388 HB3 ASN 72 HB3 ASN 72 10.106 -5.454 1.982 389 HD21 ASN 72 HD21 ASN 72 12.528 -7.705 0.625 390 HD22 ASN 72 HD22 ASN 72 13.593 -6.427 0.047 391 H CYS 73 H CYS 73 9.302 -5.506 4.268 392 HA CYS 73 HA CYS 73 10.625 -3.291 5.600 393 HB2 CYS 73 HB2 CYS 73 7.769 -4.358 5.539 394 HB3 CYS 73 HB3 CYS 73 8.218 -2.764 6.119 395 HA PRO 74 HA PRO 74 11.179 -5.155 9.546 396 HB2 PRO 74 HB2 PRO 74 10.914 -3.208 11.400 397 HB3 PRO 74 HB3 PRO 74 12.141 -3.118 10.099 398 HG2 PRO 74 HG2 PRO 74 9.397 -1.850 10.163 399 HG3 PRO 74 HG3 PRO 74 10.961 -1.052 9.786 400 HD2 PRO 74 HD2 PRO 74 9.253 -1.970 7.862 401 HD3 PRO 74 HD3 PRO 74 11.031 -2.006 7.638 402 H GLY 75 H GLY 75 8.016 -4.221 8.799 403 HA2 GLY 75 HA2 GLY 75 6.711 -6.245 10.309 404 HA3 GLY 75 HA3 GLY 75 6.413 -4.665 11.050 Start of MODEL 15 1 H1 GLY 19 H1 GLY 19 -3.721 -0.276 25.400 2 H2 GLY 19 H2 GLY 19 -4.976 0.670 25.867 3 H3 GLY 19 H3 GLY 19 -4.542 0.589 24.281 4 HA2 GLY 19 HA2 GLY 19 -3.800 2.671 25.295 5 HA3 GLY 19 HA3 GLY 19 -2.844 1.694 26.431 6 H ASP 20 H ASP 20 -2.868 3.231 23.425 7 HA ASP 20 HA ASP 20 -0.620 1.615 22.262 8 HB2 ASP 20 HB2 ASP 20 -3.244 2.456 20.964 9 HB3 ASP 20 HB3 ASP 20 -1.896 1.674 20.138 10 H LYS 21 H LYS 21 -0.109 3.875 23.555 11 HA LYS 21 HA LYS 21 -0.401 6.408 22.539 12 HB2 LYS 21 HB2 LYS 21 2.081 5.335 23.942 13 HB3 LYS 21 HB3 LYS 21 1.603 7.032 23.837 14 HG2 LYS 21 HG2 LYS 21 -0.512 6.481 25.073 15 HG3 LYS 21 HG3 LYS 21 0.079 4.830 25.306 16 HD2 LYS 21 HD2 LYS 21 1.467 7.359 26.300 17 HD3 LYS 21 HD3 LYS 21 0.449 6.291 27.277 18 HE2 LYS 21 HE2 LYS 21 2.012 4.402 26.861 19 HE3 LYS 21 HE3 LYS 21 3.048 5.469 25.904 20 HZ1 LYS 21 HZ1 LYS 21 2.436 5.834 28.788 21 HZ2 LYS 21 HZ2 LYS 21 3.386 6.826 27.901 22 HZ3 LYS 21 HZ3 LYS 21 3.848 5.288 28.182 23 H GLU 22 H GLU 22 1.954 4.141 21.341 24 HA GLU 22 HA GLU 22 2.966 6.129 19.333 25 HB2 GLU 22 HB2 GLU 22 4.634 4.157 20.937 26 HB3 GLU 22 HB3 GLU 22 5.222 5.185 19.620 27 HG2 GLU 22 HG2 GLU 22 4.493 7.207 20.923 28 HG3 GLU 22 HG3 GLU 22 4.116 6.150 22.286 29 H GLU 23 H GLU 23 0.884 3.925 19.079 30 HA GLU 23 HA GLU 23 1.830 1.880 17.349 31 HB2 GLU 23 HB2 GLU 23 -0.302 1.840 18.468 32 HB3 GLU 23 HB3 GLU 23 -0.814 3.347 17.680 33 HG2 GLU 23 HG2 GLU 23 -0.921 2.265 15.545 34 HG3 GLU 23 HG3 GLU 23 -0.184 0.791 16.198 35 H CYS 24 H CYS 24 1.527 1.739 15.084 36 HA CYS 24 HA CYS 24 2.808 3.870 13.641 37 HB2 CYS 24 HB2 CYS 24 2.599 2.428 11.694 38 HB3 CYS 24 HB3 CYS 24 3.190 1.565 13.103 39 H THR 25 H THR 25 2.123 5.303 12.160 40 HA THR 25 HA THR 25 -0.738 5.572 11.415 41 HB THR 25 HB THR 25 -0.634 8.010 11.848 42 HG1 THR 25 HG1 THR 25 1.033 8.765 13.218 43 HG21 THR 25 HG21 THR 25 -0.052 6.461 14.398 44 HG22 THR 25 HG22 THR 25 -1.626 6.516 13.574 45 HG23 THR 25 HG23 THR 25 -0.922 7.998 14.244 46 H VAL 26 H VAL 26 -0.948 7.386 9.743 47 HA VAL 26 HA VAL 26 1.436 7.572 7.945 48 HB VAL 26 HB VAL 26 -1.378 7.195 6.918 49 HG11 VAL 26 HG11 VAL 26 0.164 8.487 5.435 50 HG12 VAL 26 HG12 VAL 26 1.355 7.176 5.549 51 HG13 VAL 26 HG13 VAL 26 -0.219 6.903 4.762 52 HG21 VAL 26 HG21 VAL 26 0.910 5.218 7.193 53 HG22 VAL 26 HG22 VAL 26 -0.714 5.071 7.876 54 HG23 VAL 26 HG23 VAL 26 -0.488 4.964 6.121 55 HA PRO 27 HA PRO 27 -0.138 11.770 9.030 56 HB2 PRO 27 HB2 PRO 27 2.270 13.025 9.324 57 HB3 PRO 27 HB3 PRO 27 1.562 11.985 10.597 58 HG2 PRO 27 HG2 PRO 27 3.641 11.225 8.519 59 HG3 PRO 27 HG3 PRO 27 3.686 10.933 10.288 60 HD2 PRO 27 HD2 PRO 27 2.855 9.033 8.509 61 HD3 PRO 27 HD3 PRO 27 2.109 9.182 10.129 62 H ILE 28 H ILE 28 -0.019 13.780 7.832 63 HA ILE 28 HA ILE 28 0.252 13.486 4.999 64 HB ILE 28 HB ILE 28 -1.295 15.069 6.105 65 HG12 ILE 28 HG12 ILE 28 -1.003 16.994 4.589 66 HG13 ILE 28 HG13 ILE 28 0.601 16.426 4.139 67 HG21 ILE 28 HG21 ILE 28 0.243 15.934 7.869 68 HG22 ILE 28 HG22 ILE 28 1.144 16.820 6.619 69 HG23 ILE 28 HG23 ILE 28 -0.551 17.220 6.952 70 HD11 ILE 28 HD11 ILE 28 -0.391 14.409 3.103 71 HD12 ILE 28 HD12 ILE 28 -2.002 14.882 3.695 72 HD13 ILE 28 HD13 ILE 28 -1.171 15.864 2.473 73 H GLY 29 H GLY 29 1.813 14.154 3.571 74 HA2 GLY 29 HA2 GLY 29 3.885 14.978 2.836 75 HA3 GLY 29 HA3 GLY 29 4.380 15.296 4.490 76 H TRP 30 H TRP 30 3.300 12.138 4.631 77 HA TRP 30 HA TRP 30 5.915 10.887 4.380 78 HB2 TRP 30 HB2 TRP 30 4.079 10.140 5.925 79 HB3 TRP 30 HB3 TRP 30 3.143 9.632 4.523 80 HD1 TRP 30 HD1 TRP 30 4.016 7.514 3.194 81 HE1 TRP 30 HE1 TRP 30 5.690 5.623 3.698 82 HE3 TRP 30 HE3 TRP 30 6.079 9.422 7.440 83 HZ2 TRP 30 HZ2 TRP 30 7.750 5.086 5.646 84 HZ3 TRP 30 HZ3 TRP 30 7.898 8.192 8.635 85 HH2 TRP 30 HH2 TRP 30 8.747 6.038 7.736 86 H SER 31 H SER 31 6.416 9.203 2.803 87 HA SER 31 HA SER 31 5.670 9.888 0.041 88 HB2 SER 31 HB2 SER 31 7.998 9.322 0.720 89 HB3 SER 31 HB3 SER 31 7.475 7.658 1.043 90 HG SER 31 HG SER 31 8.335 7.947 -1.090 91 H GLU 32 H GLU 32 3.591 9.312 -0.404 92 HA GLU 32 HA GLU 32 2.686 6.509 0.081 93 HB2 GLU 32 HB2 GLU 32 0.388 7.655 -0.525 94 HB3 GLU 32 HB3 GLU 32 1.064 7.689 1.090 95 HG2 GLU 32 HG2 GLU 32 0.050 9.820 0.424 96 HG3 GLU 32 HG3 GLU 32 1.723 9.970 0.903 97 HA PRO 33 HA PRO 33 2.540 5.730 -4.291 98 HB2 PRO 33 HB2 PRO 33 0.619 3.828 -4.536 99 HB3 PRO 33 HB3 PRO 33 2.146 3.544 -3.653 100 HG2 PRO 33 HG2 PRO 33 -0.544 4.343 -2.477 101 HG3 PRO 33 HG3 PRO 33 0.507 2.980 -1.979 102 HD2 PRO 33 HD2 PRO 33 0.578 5.380 -0.706 103 HD3 PRO 33 HD3 PRO 33 2.066 4.423 -0.961 104 H VAL 34 H VAL 34 1.220 5.928 -6.228 105 HA VAL 34 HA VAL 34 -0.896 7.996 -5.975 106 HB VAL 34 HB VAL 34 1.065 8.453 -7.365 107 HG11 VAL 34 HG11 VAL 34 1.328 7.497 -9.579 108 HG12 VAL 34 HG12 VAL 34 1.396 6.193 -8.382 109 HG13 VAL 34 HG13 VAL 34 -0.078 6.440 -9.344 110 HG21 VAL 34 HG21 VAL 34 -0.137 9.478 -9.198 111 HG22 VAL 34 HG22 VAL 34 -1.542 8.433 -8.925 112 HG23 VAL 34 HG23 VAL 34 -1.068 9.637 -7.702 113 H LYS 35 H LYS 35 -2.929 7.734 -6.550 114 HA LYS 35 HA LYS 35 -4.084 5.096 -6.987 115 HB2 LYS 35 HB2 LYS 35 -5.145 7.206 -5.857 116 HB3 LYS 35 HB3 LYS 35 -5.500 7.741 -7.505 117 HG2 LYS 35 HG2 LYS 35 -6.659 5.443 -7.812 118 HG3 LYS 35 HG3 LYS 35 -6.445 5.230 -6.066 119 HD2 LYS 35 HD2 LYS 35 -7.688 7.565 -5.942 120 HD3 LYS 35 HD3 LYS 35 -8.188 7.156 -7.609 121 HE2 LYS 35 HE2 LYS 35 -9.170 5.045 -6.819 122 HE3 LYS 35 HE3 LYS 35 -8.613 5.374 -5.171 123 HZ1 LYS 35 HZ1 LYS 35 -10.057 7.336 -5.140 124 HZ2 LYS 35 HZ2 LYS 35 -10.940 6.000 -5.443 125 HZ3 LYS 35 HZ3 LYS 35 -10.586 7.033 -6.656 126 H GLY 36 H GLY 36 -4.802 4.152 -8.860 127 HA2 GLY 36 HA2 GLY 36 -3.780 5.104 -11.429 128 HA3 GLY 36 HA3 GLY 36 -4.764 3.678 -11.172 129 H LEU 37 H LEU 37 -6.631 5.874 -9.762 130 HA LEU 37 HA LEU 37 -8.561 6.982 -10.205 131 HB2 LEU 37 HB2 LEU 37 -7.350 7.803 -12.855 132 HB3 LEU 37 HB3 LEU 37 -8.631 8.611 -11.971 133 HG LEU 37 HG LEU 37 -5.720 8.429 -11.080 134 HD11 LEU 37 HD11 LEU 37 -7.357 10.758 -12.156 135 HD12 LEU 37 HD12 LEU 37 -6.085 9.882 -13.035 136 HD13 LEU 37 HD13 LEU 37 -5.671 10.824 -11.593 137 HD21 LEU 37 HD21 LEU 37 -8.080 9.943 -9.870 138 HD22 LEU 37 HD22 LEU 37 -6.377 10.120 -9.385 139 HD23 LEU 37 HD23 LEU 37 -7.206 8.586 -9.126 140 H CYS 38 H CYS 38 -8.152 4.194 -11.376 141 HA CYS 38 HA CYS 38 -9.850 4.084 -13.763 142 HB2 CYS 38 HB2 CYS 38 -9.036 1.674 -12.151 143 HB3 CYS 38 HB3 CYS 38 -9.320 1.777 -13.874 144 H LYS 39 H LYS 39 -11.611 2.446 -13.929 145 HA LYS 39 HA LYS 39 -13.747 2.707 -12.030 146 HB2 LYS 39 HB2 LYS 39 -14.954 1.172 -13.408 147 HB3 LYS 39 HB3 LYS 39 -14.045 2.270 -14.436 148 HG2 LYS 39 HG2 LYS 39 -12.277 0.370 -14.637 149 HG3 LYS 39 HG3 LYS 39 -13.471 -0.657 -13.841 150 HD2 LYS 39 HD2 LYS 39 -13.826 -1.093 -16.114 151 HD3 LYS 39 HD3 LYS 39 -15.114 0.024 -15.682 152 HE2 LYS 39 HE2 LYS 39 -14.332 0.794 -17.762 153 HE3 LYS 39 HE3 LYS 39 -13.625 1.912 -16.594 154 HZ1 LYS 39 HZ1 LYS 39 -12.226 -0.398 -17.855 155 HZ2 LYS 39 HZ2 LYS 39 -11.536 0.616 -16.775 156 HZ3 LYS 39 HZ3 LYS 39 -11.995 1.167 -18.239 157 H ALA 40 H ALA 40 -11.373 0.098 -12.452 158 HA ALA 40 HA ALA 40 -12.654 -1.562 -10.409 159 HB1 ALA 40 HB1 ALA 40 -10.134 -1.990 -12.079 160 HB2 ALA 40 HB2 ALA 40 -10.953 -3.214 -11.087 161 HB3 ALA 40 HB3 ALA 40 -11.776 -2.533 -12.503 162 H ARG 41 H ARG 41 -12.217 -1.632 -8.341 163 HA ARG 41 HA ARG 41 -9.718 -0.484 -7.216 164 HB2 ARG 41 HB2 ARG 41 -12.188 -1.448 -5.737 165 HB3 ARG 41 HB3 ARG 41 -10.804 -0.563 -5.108 166 HG2 ARG 41 HG2 ARG 41 -12.148 1.198 -5.358 167 HG3 ARG 41 HG3 ARG 41 -11.548 1.213 -7.017 168 HD2 ARG 41 HD2 ARG 41 -13.578 0.278 -7.854 169 HD3 ARG 41 HD3 ARG 41 -14.040 -0.344 -6.268 170 HE ARG 41 HE ARG 41 -14.652 1.802 -5.518 171 HH11 ARG 41 HH11 ARG 41 -14.026 1.925 -8.985 172 HH12 ARG 41 HH12 ARG 41 -14.694 3.531 -9.097 173 HH21 ARG 41 HH21 ARG 41 -15.568 3.770 -5.796 174 HH22 ARG 41 HH22 ARG 41 -15.594 4.508 -7.368 175 H PHE 42 H PHE 42 -8.292 -2.072 -7.884 176 HA PHE 42 HA PHE 42 -8.322 -4.828 -7.005 177 HB2 PHE 42 HB2 PHE 42 -5.867 -3.091 -7.390 178 HB3 PHE 42 HB3 PHE 42 -5.979 -4.836 -7.557 179 HD1 PHE 42 HD2 PHE 42 -8.402 -5.119 -9.350 180 HD2 PHE 42 HD1 PHE 42 -5.058 -2.384 -9.465 181 HE1 PHE 42 HE2 PHE 42 -8.725 -4.823 -11.785 182 HE2 PHE 42 HE1 PHE 42 -5.391 -2.097 -11.910 183 HZ PHE 42 HZ PHE 42 -7.231 -3.305 -13.067 184 H THR 43 H THR 43 -6.447 -5.571 -5.436 185 HA THR 43 HA THR 43 -6.416 -3.862 -2.962 186 HB THR 43 HB THR 43 -6.396 -6.891 -2.880 187 HG1 THR 43 HG1 THR 43 -8.382 -6.230 -3.753 188 HG21 THR 43 HG21 THR 43 -5.576 -5.666 -0.884 189 HG22 THR 43 HG22 THR 43 -7.112 -6.486 -0.557 190 HG23 THR 43 HG23 THR 43 -7.095 -4.731 -0.843 191 H ARG 44 H ARG 44 -4.424 -3.049 -2.849 192 HA ARG 44 HA ARG 44 -1.992 -4.789 -3.325 193 HB2 ARG 44 HB2 ARG 44 -2.267 -1.774 -3.552 194 HB3 ARG 44 HB3 ARG 44 -0.779 -2.694 -3.773 195 HG2 ARG 44 HG2 ARG 44 -3.219 -2.751 -5.587 196 HG3 ARG 44 HG3 ARG 44 -1.674 -1.958 -5.861 197 HD2 ARG 44 HD2 ARG 44 -1.592 -3.856 -7.184 198 HD3 ARG 44 HD3 ARG 44 -0.534 -4.198 -5.810 199 HE ARG 44 HE ARG 44 -3.007 -5.271 -5.093 200 HH11 ARG 44 HH11 ARG 44 -0.869 -5.907 -7.803 201 HH12 ARG 44 HH12 ARG 44 -1.178 -7.626 -7.684 202 HH21 ARG 44 HH21 ARG 44 -3.316 -7.357 -5.031 203 HH22 ARG 44 HH22 ARG 44 -2.412 -8.418 -6.093 204 H TYR 45 H TYR 45 -0.110 -4.098 -1.977 205 HA TYR 45 HA TYR 45 -0.869 -2.977 0.691 206 HB2 TYR 45 HB2 TYR 45 0.739 -5.513 0.233 207 HB3 TYR 45 HB3 TYR 45 0.366 -4.780 1.787 208 HD1 TYR 45 HD1 TYR 45 -1.929 -4.915 2.750 209 HD2 TYR 45 HD2 TYR 45 -0.999 -6.732 -1.065 210 HE1 TYR 45 HE1 TYR 45 -4.032 -6.238 2.849 211 HE2 TYR 45 HE2 TYR 45 -3.108 -8.035 -0.952 212 HH TYR 45 HH TYR 45 -5.353 -7.799 1.826 213 H TYR 46 H TYR 46 0.666 -1.707 1.665 214 HA TYR 46 HA TYR 46 3.326 -1.378 0.331 215 HB2 TYR 46 HB2 TYR 46 1.219 0.749 0.882 216 HB3 TYR 46 HB3 TYR 46 2.900 1.130 0.587 217 HD1 TYR 46 HD1 TYR 46 -0.170 -0.284 -0.992 218 HD2 TYR 46 HD2 TYR 46 3.849 1.155 -1.608 219 HE1 TYR 46 HE1 TYR 46 -0.593 -0.155 -3.443 220 HE2 TYR 46 HE2 TYR 46 3.421 1.270 -4.063 221 HH TYR 46 HH TYR 46 0.320 0.230 -5.484 222 H CYS 47 H CYS 47 5.004 -0.866 1.645 223 HA CYS 47 HA CYS 47 4.739 -1.001 4.528 224 HB2 CYS 47 HB2 CYS 47 7.016 -0.646 2.570 225 HB3 CYS 47 HB3 CYS 47 7.263 -0.332 4.281 226 H MET 48 H MET 48 3.458 0.688 5.204 227 HA MET 48 HA MET 48 4.369 3.485 4.808 228 HB2 MET 48 HB2 MET 48 2.050 2.456 6.476 229 HB3 MET 48 HB3 MET 48 2.407 4.120 5.991 230 HG2 MET 48 HG2 MET 48 1.543 1.799 4.248 231 HG3 MET 48 HG3 MET 48 0.653 3.279 4.572 232 HE1 MET 48 HE1 MET 48 2.572 5.924 2.413 233 HE2 MET 48 HE2 MET 48 1.147 5.606 3.421 234 HE3 MET 48 HE3 MET 48 2.769 5.575 4.146 235 H GLY 49 H GLY 49 6.436 3.001 5.668 236 HA2 GLY 49 HA2 GLY 49 8.058 3.355 7.304 237 HA3 GLY 49 HA3 GLY 49 6.794 3.632 8.503 238 H ASN 50 H ASN 50 5.861 1.832 9.553 239 HA ASN 50 HA ASN 50 7.429 -0.710 9.476 240 HB2 ASN 50 HB2 ASN 50 7.379 -0.805 11.852 241 HB3 ASN 50 HB3 ASN 50 8.001 0.773 11.385 242 HD21 ASN 50 HD21 ASN 50 6.297 -0.503 13.777 243 HD22 ASN 50 HD22 ASN 50 5.155 0.805 14.040 244 H CYS 51 H CYS 51 4.469 0.343 8.644 245 HA CYS 51 HA CYS 51 3.126 -2.233 9.360 246 HB2 CYS 51 HB2 CYS 51 2.101 0.606 9.566 247 HB3 CYS 51 HB3 CYS 51 1.012 -0.777 9.449 248 H CYS 52 H CYS 52 2.491 -3.350 7.680 249 HA CYS 52 HA CYS 52 2.411 -2.339 4.952 250 HB2 CYS 52 HB2 CYS 52 1.783 -4.985 6.264 251 HB3 CYS 52 HB3 CYS 52 1.457 -4.689 4.557 252 H LYS 53 H LYS 53 0.873 -0.661 5.012 253 HA LYS 53 HA LYS 53 -1.949 -1.201 5.717 254 HB2 LYS 53 HB2 LYS 53 -1.007 1.021 6.092 255 HB3 LYS 53 HB3 LYS 53 -0.647 1.198 4.367 256 HG2 LYS 53 HG2 LYS 53 -2.923 1.293 3.759 257 HG3 LYS 53 HG3 LYS 53 -3.484 0.671 5.315 258 HD2 LYS 53 HD2 LYS 53 -2.155 3.393 4.956 259 HD3 LYS 53 HD3 LYS 53 -3.900 3.104 4.887 260 HE2 LYS 53 HE2 LYS 53 -3.685 1.995 7.198 261 HE3 LYS 53 HE3 LYS 53 -2.059 2.686 7.275 262 HZ1 LYS 53 HZ1 LYS 53 -3.115 4.902 6.974 263 HZ2 LYS 53 HZ2 LYS 53 -3.683 4.155 8.316 264 HZ3 LYS 53 HZ3 LYS 53 -4.595 4.215 6.969 265 H VAL 54 H VAL 54 -3.590 -1.622 4.373 266 HA VAL 54 HA VAL 54 -3.064 -2.584 1.649 267 HB VAL 54 HB VAL 54 -4.573 -3.769 3.215 268 HG11 VAL 54 HG11 VAL 54 -6.837 -3.046 3.611 269 HG12 VAL 54 HG12 VAL 54 -5.737 -1.801 4.228 270 HG13 VAL 54 HG13 VAL 54 -6.590 -1.557 2.681 271 HG21 VAL 54 HG21 VAL 54 -6.275 -4.343 1.596 272 HG22 VAL 54 HG22 VAL 54 -5.965 -2.866 0.666 273 HG23 VAL 54 HG23 VAL 54 -4.720 -4.130 0.785 274 H TYR 55 H TYR 55 -3.808 -1.698 -0.235 275 HA TYR 55 HA TYR 55 -5.064 1.016 -0.218 276 HB2 TYR 55 HB2 TYR 55 -2.521 0.110 -1.582 277 HB3 TYR 55 HB3 TYR 55 -3.511 1.372 -2.285 278 HD1 TYR 55 HD1 TYR 55 -1.489 0.511 0.741 279 HD2 TYR 55 HD2 TYR 55 -3.635 3.583 -1.395 280 HE1 TYR 55 HE1 TYR 55 -0.511 2.251 2.238 281 HE2 TYR 55 HE2 TYR 55 -2.680 5.307 0.114 282 HH TYR 55 HH TYR 55 -1.392 5.709 1.941 283 H GLU 56 H GLU 56 -6.665 1.295 -1.606 284 HA GLU 56 HA GLU 56 -7.299 -0.816 -3.605 285 HB2 GLU 56 HB2 GLU 56 -9.234 0.346 -1.572 286 HB3 GLU 56 HB3 GLU 56 -9.630 -0.795 -2.861 287 HG2 GLU 56 HG2 GLU 56 -8.146 -2.493 -1.804 288 HG3 GLU 56 HG3 GLU 56 -7.766 -1.354 -0.513 289 H GLY 57 H GLY 57 -7.249 0.159 -5.513 290 HA2 GLY 57 HA2 GLY 57 -8.906 2.075 -6.619 291 HA3 GLY 57 HA3 GLY 57 -7.723 3.056 -5.759 292 H CYS 58 H CYS 58 -7.598 0.185 -7.907 293 HA CYS 58 HA CYS 58 -6.257 -0.373 -9.653 294 HB2 CYS 58 HB2 CYS 58 -7.840 1.451 -10.393 295 HB3 CYS 58 HB3 CYS 58 -6.457 2.533 -10.388 296 H TYR 59 H TYR 59 -4.732 0.292 -7.303 297 HA TYR 59 HA TYR 59 -2.327 1.787 -7.995 298 HB2 TYR 59 HB2 TYR 59 -3.043 -0.100 -5.716 299 HB3 TYR 59 HB3 TYR 59 -1.499 0.725 -5.850 300 HD1 TYR 59 HD1 TYR 59 -1.322 3.174 -5.593 301 HD2 TYR 59 HD2 TYR 59 -5.037 1.089 -4.994 302 HE1 TYR 59 HE1 TYR 59 -2.247 5.160 -4.386 303 HE2 TYR 59 HE2 TYR 59 -5.978 3.100 -3.841 304 HH TYR 59 HH TYR 59 -5.584 5.229 -3.110 305 H THR 60 H THR 60 -0.420 1.032 -8.789 306 HA THR 60 HA THR 60 -0.027 -1.897 -9.319 307 HB THR 60 HB THR 60 0.839 -1.267 -11.567 308 HG1 THR 60 HG1 THR 60 0.271 0.797 -12.337 309 HG21 THR 60 HG21 THR 60 -1.290 -0.952 -12.662 310 HG22 THR 60 HG22 THR 60 -2.040 -0.366 -11.165 311 HG23 THR 60 HG23 THR 60 -1.508 -2.057 -11.295 312 H GLY 61 H GLY 61 1.394 0.735 -7.842 313 HA2 GLY 61 HA2 GLY 61 4.149 0.339 -8.793 314 HA3 GLY 61 HA3 GLY 61 3.556 1.584 -7.705 315 H GLY 62 H GLY 62 2.582 -1.525 -6.656 316 HA2 GLY 62 HA2 GLY 62 4.915 -2.043 -4.925 317 HA3 GLY 62 HA3 GLY 62 3.492 -1.397 -4.113 318 H TYR 63 H TYR 63 3.867 -3.418 -2.934 319 HA TYR 63 HA TYR 63 3.973 -5.941 -4.080 320 HB2 TYR 63 HB2 TYR 63 3.084 -5.265 -1.259 321 HB3 TYR 63 HB3 TYR 63 3.767 -6.786 -1.806 322 HD1 TYR 63 HD2 TYR 63 6.162 -6.771 -2.792 323 HD2 TYR 63 HD1 TYR 63 4.498 -3.490 -0.532 324 HE1 TYR 63 HE2 TYR 63 8.446 -5.834 -2.465 325 HE2 TYR 63 HE1 TYR 63 6.793 -2.561 -0.201 326 HH TYR 63 HH TYR 63 9.675 -4.082 -1.660 327 H SER 64 H SER 64 2.667 -7.502 -4.610 328 HA SER 64 HA SER 64 -0.163 -7.079 -4.941 329 HB2 SER 64 HB2 SER 64 1.380 -8.445 -6.432 330 HB3 SER 64 HB3 SER 64 1.334 -9.712 -5.195 331 HG SER 64 HG SER 64 -0.238 -10.114 -6.755 332 H ARG 65 H ARG 65 1.690 -8.446 -2.376 333 HA ARG 65 HA ARG 65 -0.746 -9.447 -0.944 334 HB2 ARG 65 HB2 ARG 65 1.909 -10.858 -1.453 335 HB3 ARG 65 HB3 ARG 65 0.824 -11.335 -0.142 336 HG2 ARG 65 HG2 ARG 65 -0.965 -11.836 -1.681 337 HG3 ARG 65 HG3 ARG 65 -0.025 -11.262 -3.065 338 HD2 ARG 65 HD2 ARG 65 1.262 -13.133 -3.186 339 HD3 ARG 65 HD3 ARG 65 1.385 -13.321 -1.446 340 HE ARG 65 HE ARG 65 -0.768 -14.372 -3.208 341 HH11 ARG 65 HH11 ARG 65 0.463 -14.201 0.064 342 HH12 ARG 65 HH12 ARG 65 -0.594 -15.467 0.626 343 HH21 ARG 65 HH21 ARG 65 -2.082 -15.979 -2.431 344 HH22 ARG 65 HH22 ARG 65 -1.987 -16.441 -0.757 345 H MET 66 H MET 66 -0.721 -9.390 1.218 346 HA MET 66 HA MET 66 0.745 -7.528 2.773 347 HB2 MET 66 HB2 MET 66 -1.442 -8.605 3.359 348 HB3 MET 66 HB3 MET 66 -0.605 -10.132 3.625 349 HG2 MET 66 HG2 MET 66 -0.965 -9.147 5.763 350 HG3 MET 66 HG3 MET 66 0.754 -9.022 5.423 351 HE1 MET 66 HE1 MET 66 -2.517 -7.162 6.354 352 HE2 MET 66 HE2 MET 66 -2.300 -5.549 5.642 353 HE3 MET 66 HE3 MET 66 -2.541 -6.961 4.590 354 H GLY 67 H GLY 67 1.267 -11.025 2.296 355 HA2 GLY 67 HA2 GLY 67 3.581 -11.445 3.847 356 HA3 GLY 67 HA3 GLY 67 3.156 -12.354 2.395 357 H GLU 68 H GLU 68 3.449 -10.540 0.353 358 HA GLU 68 HA GLU 68 6.296 -10.339 -0.008 359 HB2 GLU 68 HB2 GLU 68 3.967 -9.143 -1.533 360 HB3 GLU 68 HB3 GLU 68 5.648 -8.915 -2.013 361 HG2 GLU 68 HG2 GLU 68 4.291 -11.625 -1.746 362 HG3 GLU 68 HG3 GLU 68 4.497 -10.721 -3.245 363 H CYS 69 H CYS 69 3.914 -7.880 0.969 364 HA CYS 69 HA CYS 69 5.748 -5.672 1.127 365 HB2 CYS 69 HB2 CYS 69 3.358 -5.390 1.122 366 HB3 CYS 69 HB3 CYS 69 3.165 -6.334 2.592 367 H ALA 70 H ALA 70 4.926 -8.183 3.555 368 HA ALA 70 HA ALA 70 6.388 -7.113 5.698 369 HB1 ALA 70 HB1 ALA 70 4.637 -8.855 5.839 370 HB2 ALA 70 HB2 ALA 70 5.776 -10.039 5.154 371 HB3 ALA 70 HB3 ALA 70 6.111 -9.288 6.724 372 H ARG 71 H ARG 71 7.812 -8.605 2.893 373 HA ARG 71 HA ARG 71 10.334 -9.501 3.995 374 HB2 ARG 71 HB2 ARG 71 9.504 -8.468 1.240 375 HB3 ARG 71 HB3 ARG 71 11.150 -8.943 1.615 376 HG2 ARG 71 HG2 ARG 71 9.967 -10.709 0.467 377 HG3 ARG 71 HG3 ARG 71 10.502 -11.203 2.090 378 HD2 ARG 71 HD2 ARG 71 8.310 -11.227 2.938 379 HD3 ARG 71 HD3 ARG 71 7.728 -10.182 1.645 380 HE ARG 71 HE ARG 71 7.855 -12.047 0.057 381 HH11 ARG 71 HH11 ARG 71 7.688 -13.036 3.415 382 HH12 ARG 71 HH12 ARG 71 6.833 -14.496 2.988 383 HH21 ARG 71 HH21 ARG 71 6.765 -13.673 -0.370 384 HH22 ARG 71 HH22 ARG 71 6.335 -14.908 0.819 385 H ASN 72 H ASN 72 9.400 -6.477 2.503 386 HA ASN 72 HA ASN 72 11.965 -5.148 3.107 387 HB2 ASN 72 HB2 ASN 72 9.460 -4.418 1.575 388 HB3 ASN 72 HB3 ASN 72 10.505 -3.126 2.154 389 HD21 ASN 72 HD21 ASN 72 10.625 -6.152 0.185 390 HD22 ASN 72 HD22 ASN 72 12.025 -5.597 -0.728 391 H CYS 73 H CYS 73 8.699 -5.028 4.500 392 HA CYS 73 HA CYS 73 9.229 -2.878 6.349 393 HB2 CYS 73 HB2 CYS 73 7.191 -5.074 6.069 394 HB3 CYS 73 HB3 CYS 73 7.287 -4.222 7.595 395 HA PRO 74 HA PRO 74 11.701 -4.799 9.432 396 HB2 PRO 74 HB2 PRO 74 10.944 -3.621 11.782 397 HB3 PRO 74 HB3 PRO 74 11.743 -2.734 10.450 398 HG2 PRO 74 HG2 PRO 74 8.768 -2.916 11.038 399 HG3 PRO 74 HG3 PRO 74 9.751 -1.441 10.743 400 HD2 PRO 74 HD2 PRO 74 8.317 -2.612 8.758 401 HD3 PRO 74 HD3 PRO 74 9.932 -1.914 8.434 402 H GLY 75 H GLY 75 8.284 -5.359 9.716 403 HA2 GLY 75 HA2 GLY 75 8.097 -7.978 10.232 404 HA3 GLY 75 HA3 GLY 75 8.490 -7.406 11.855 Start of MODEL 16 1 H1 GLY 19 H1 GLY 19 7.917 -5.882 19.693 2 H2 GLY 19 H2 GLY 19 6.553 -6.270 20.513 3 H3 GLY 19 H3 GLY 19 6.454 -5.688 18.982 4 HA2 GLY 19 HA2 GLY 19 7.421 -4.177 21.325 5 HA3 GLY 19 HA3 GLY 19 7.341 -3.558 19.666 6 H ASP 20 H ASP 20 5.660 -3.891 22.599 7 HA ASP 20 HA ASP 20 2.920 -3.806 21.664 8 HB2 ASP 20 HB2 ASP 20 4.218 -3.025 24.309 9 HB3 ASP 20 HB3 ASP 20 2.480 -3.094 24.035 10 H LYS 21 H LYS 21 1.474 -1.972 22.298 11 HA LYS 21 HA LYS 21 0.609 0.052 21.715 12 HB2 LYS 21 HB2 LYS 21 2.007 0.409 23.847 13 HB3 LYS 21 HB3 LYS 21 3.128 1.310 22.825 14 HG2 LYS 21 HG2 LYS 21 1.287 2.865 22.195 15 HG3 LYS 21 HG3 LYS 21 0.142 1.917 23.147 16 HD2 LYS 21 HD2 LYS 21 2.601 3.308 24.303 17 HD3 LYS 21 HD3 LYS 21 0.984 4.025 24.238 18 HE2 LYS 21 HE2 LYS 21 0.082 2.139 25.585 19 HE3 LYS 21 HE3 LYS 21 1.706 1.445 25.698 20 HZ1 LYS 21 HZ1 LYS 21 0.918 4.108 26.759 21 HZ2 LYS 21 HZ2 LYS 21 2.416 3.461 26.867 22 HZ3 LYS 21 HZ3 LYS 21 1.167 2.771 27.659 23 H GLU 22 H GLU 22 1.949 -1.228 19.623 24 HA GLU 22 HA GLU 22 3.340 0.597 17.876 25 HB2 GLU 22 HB2 GLU 22 2.942 -1.069 16.157 26 HB3 GLU 22 HB3 GLU 22 3.459 -1.847 17.650 27 HG2 GLU 22 HG2 GLU 22 1.068 -2.423 18.155 28 HG3 GLU 22 HG3 GLU 22 0.586 -1.691 16.624 29 H GLU 23 H GLU 23 2.507 1.267 15.715 30 HA GLU 23 HA GLU 23 -0.353 1.673 15.364 31 HB2 GLU 23 HB2 GLU 23 -0.240 4.092 15.043 32 HB3 GLU 23 HB3 GLU 23 0.184 3.639 16.691 33 HG2 GLU 23 HG2 GLU 23 2.614 3.908 16.116 34 HG3 GLU 23 HG3 GLU 23 2.147 4.397 14.485 35 H CYS 24 H CYS 24 -0.824 2.628 13.204 36 HA CYS 24 HA CYS 24 1.248 1.910 11.157 37 HB2 CYS 24 HB2 CYS 24 -0.723 0.303 11.623 38 HB3 CYS 24 HB3 CYS 24 -1.731 1.521 10.851 39 H THR 25 H THR 25 -0.362 4.553 12.353 40 HA THR 25 HA THR 25 -1.224 5.914 9.941 41 HB THR 25 HB THR 25 -1.223 7.916 11.527 42 HG1 THR 25 HG1 THR 25 -1.006 7.408 13.716 43 HG21 THR 25 HG21 THR 25 -3.167 7.143 12.805 44 HG22 THR 25 HG22 THR 25 -2.768 5.450 12.446 45 HG23 THR 25 HG23 THR 25 -3.252 6.552 11.137 46 H VAL 26 H VAL 26 -0.347 7.921 9.193 47 HA VAL 26 HA VAL 26 2.533 8.471 9.580 48 HB VAL 26 HB VAL 26 2.777 8.770 7.084 49 HG11 VAL 26 HG11 VAL 26 2.263 5.908 7.935 50 HG12 VAL 26 HG12 VAL 26 3.305 6.481 6.613 51 HG13 VAL 26 HG13 VAL 26 3.735 6.842 8.288 52 HG21 VAL 26 HG21 VAL 26 1.352 7.595 5.539 53 HG22 VAL 26 HG22 VAL 26 0.295 7.029 6.847 54 HG23 VAL 26 HG23 VAL 26 0.377 8.759 6.438 55 HA PRO 27 HA PRO 27 1.025 12.694 9.089 56 HB2 PRO 27 HB2 PRO 27 3.223 14.030 8.157 57 HB3 PRO 27 HB3 PRO 27 3.104 13.416 9.832 58 HG2 PRO 27 HG2 PRO 27 4.458 12.088 7.460 59 HG3 PRO 27 HG3 PRO 27 5.127 12.367 9.100 60 HD2 PRO 27 HD2 PRO 27 4.030 9.986 8.401 61 HD3 PRO 27 HD3 PRO 27 3.795 10.657 10.038 62 H ILE 28 H ILE 28 0.426 14.201 7.430 63 HA ILE 28 HA ILE 28 -0.353 13.093 4.958 64 HB ILE 28 HB ILE 28 -1.478 14.968 6.047 65 HG12 ILE 28 HG12 ILE 28 -1.935 16.416 4.110 66 HG13 ILE 28 HG13 ILE 28 -0.555 15.745 3.246 67 HG21 ILE 28 HG21 ILE 28 -0.640 17.256 5.947 68 HG22 ILE 28 HG22 ILE 28 0.508 16.249 6.830 69 HG23 ILE 28 HG23 ILE 28 0.849 16.723 5.150 70 HD11 ILE 28 HD11 ILE 28 -2.743 14.771 2.542 71 HD12 ILE 28 HD12 ILE 28 -1.661 13.527 3.186 72 HD13 ILE 28 HD13 ILE 28 -2.994 14.154 4.188 73 H GLY 29 H GLY 29 2.628 14.702 5.754 74 HA2 GLY 29 HA2 GLY 29 3.517 15.098 2.998 75 HA3 GLY 29 HA3 GLY 29 4.440 15.403 4.463 76 H TRP 30 H TRP 30 3.310 12.197 4.655 77 HA TRP 30 HA TRP 30 5.903 11.020 4.193 78 HB2 TRP 30 HB2 TRP 30 4.177 10.208 5.794 79 HB3 TRP 30 HB3 TRP 30 3.154 9.738 4.439 80 HD1 TRP 30 HD1 TRP 30 3.801 7.574 3.127 81 HE1 TRP 30 HE1 TRP 30 5.469 5.645 3.496 82 HE3 TRP 30 HE3 TRP 30 6.435 9.555 7.017 83 HZ2 TRP 30 HZ2 TRP 30 7.676 5.054 5.272 84 HZ3 TRP 30 HZ3 TRP 30 8.321 8.289 8.051 85 HH2 TRP 30 HH2 TRP 30 8.951 6.050 7.179 86 H SER 31 H SER 31 6.358 9.315 2.624 87 HA SER 31 HA SER 31 5.541 9.992 -0.123 88 HB2 SER 31 HB2 SER 31 7.900 9.476 0.491 89 HB3 SER 31 HB3 SER 31 7.418 7.803 0.833 90 HG SER 31 HG SER 31 8.208 8.105 -1.326 91 H GLU 32 H GLU 32 3.463 9.381 -0.505 92 HA GLU 32 HA GLU 32 2.667 6.535 -0.069 93 HB2 GLU 32 HB2 GLU 32 0.295 7.615 -0.445 94 HB3 GLU 32 HB3 GLU 32 1.090 7.600 1.115 95 HG2 GLU 32 HG2 GLU 32 -0.033 9.710 0.690 96 HG3 GLU 32 HG3 GLU 32 1.679 9.923 0.960 97 HA PRO 33 HA PRO 33 2.316 5.926 -4.440 98 HB2 PRO 33 HB2 PRO 33 0.416 3.998 -4.672 99 HB3 PRO 33 HB3 PRO 33 1.986 3.715 -3.866 100 HG2 PRO 33 HG2 PRO 33 -0.659 4.443 -2.550 101 HG3 PRO 33 HG3 PRO 33 0.415 3.069 -2.145 102 HD2 PRO 33 HD2 PRO 33 0.542 5.398 -0.780 103 HD3 PRO 33 HD3 PRO 33 2.029 4.486 -1.172 104 H VAL 34 H VAL 34 0.838 6.019 -6.315 105 HA VAL 34 HA VAL 34 -1.317 8.041 -5.925 106 HB VAL 34 HB VAL 34 0.635 8.697 -7.252 107 HG11 VAL 34 HG11 VAL 34 1.059 6.554 -8.466 108 HG12 VAL 34 HG12 VAL 34 -0.427 6.823 -9.403 109 HG13 VAL 34 HG13 VAL 34 0.932 7.956 -9.541 110 HG21 VAL 34 HG21 VAL 34 -1.544 9.818 -7.484 111 HG22 VAL 34 HG22 VAL 34 -0.622 9.824 -8.995 112 HG23 VAL 34 HG23 VAL 34 -1.980 8.702 -8.801 113 H LYS 35 H LYS 35 -3.306 7.724 -6.486 114 HA LYS 35 HA LYS 35 -4.359 5.089 -7.216 115 HB2 LYS 35 HB2 LYS 35 -5.390 6.922 -5.669 116 HB3 LYS 35 HB3 LYS 35 -5.852 7.743 -7.150 117 HG2 LYS 35 HG2 LYS 35 -7.071 5.506 -7.770 118 HG3 LYS 35 HG3 LYS 35 -6.771 5.046 -6.087 119 HD2 LYS 35 HD2 LYS 35 -7.828 7.397 -5.535 120 HD3 LYS 35 HD3 LYS 35 -8.464 7.318 -7.184 121 HE2 LYS 35 HE2 LYS 35 -8.916 5.165 -5.066 122 HE3 LYS 35 HE3 LYS 35 -9.978 6.557 -5.264 123 HZ1 LYS 35 HZ1 LYS 35 -9.459 4.522 -7.370 124 HZ2 LYS 35 HZ2 LYS 35 -10.444 5.839 -7.535 125 HZ3 LYS 35 HZ3 LYS 35 -10.827 4.663 -6.484 126 H GLY 36 H GLY 36 -5.111 4.432 -9.194 127 HA2 GLY 36 HA2 GLY 36 -4.530 5.935 -11.615 128 HA3 GLY 36 HA3 GLY 36 -5.341 4.382 -11.509 129 H LEU 37 H LEU 37 -7.228 6.166 -9.580 130 HA LEU 37 HA LEU 37 -9.439 6.750 -9.743 131 HB2 LEU 37 HB2 LEU 37 -8.225 8.630 -11.793 132 HB3 LEU 37 HB3 LEU 37 -9.919 8.664 -11.338 133 HG LEU 37 HG LEU 37 -9.122 8.868 -8.885 134 HD11 LEU 37 HD11 LEU 37 -7.007 10.120 -8.613 135 HD12 LEU 37 HD12 LEU 37 -6.638 9.887 -10.337 136 HD13 LEU 37 HD13 LEU 37 -6.698 8.501 -9.235 137 HD21 LEU 37 HD21 LEU 37 -10.298 10.599 -10.129 138 HD22 LEU 37 HD22 LEU 37 -8.777 11.125 -10.885 139 HD23 LEU 37 HD23 LEU 37 -9.024 11.314 -9.129 140 H CYS 38 H CYS 38 -8.879 4.433 -10.976 141 HA CYS 38 HA CYS 38 -10.148 4.176 -13.607 142 HB2 CYS 38 HB2 CYS 38 -9.489 1.932 -11.691 143 HB3 CYS 38 HB3 CYS 38 -9.582 1.842 -13.443 144 H LYS 39 H LYS 39 -11.893 2.596 -14.035 145 HA LYS 39 HA LYS 39 -14.211 2.673 -12.265 146 HB2 LYS 39 HB2 LYS 39 -15.268 1.211 -13.876 147 HB3 LYS 39 HB3 LYS 39 -14.455 2.545 -14.689 148 HG2 LYS 39 HG2 LYS 39 -12.547 0.995 -15.250 149 HG3 LYS 39 HG3 LYS 39 -13.457 -0.335 -14.503 150 HD2 LYS 39 HD2 LYS 39 -15.288 -0.016 -16.145 151 HD3 LYS 39 HD3 LYS 39 -14.431 1.365 -16.836 152 HE2 LYS 39 HE2 LYS 39 -14.031 -0.472 -18.289 153 HE3 LYS 39 HE3 LYS 39 -12.521 -0.139 -17.441 154 HZ1 LYS 39 HZ1 LYS 39 -13.024 -2.521 -17.526 155 HZ2 LYS 39 HZ2 LYS 39 -14.434 -2.309 -16.739 156 HZ3 LYS 39 HZ3 LYS 39 -13.015 -2.030 -15.972 157 H ALA 40 H ALA 40 -11.612 0.364 -12.759 158 HA ALA 40 HA ALA 40 -12.752 -1.715 -11.048 159 HB1 ALA 40 HB1 ALA 40 -11.290 -2.227 -12.986 160 HB2 ALA 40 HB2 ALA 40 -9.947 -1.357 -12.204 161 HB3 ALA 40 HB3 ALA 40 -10.600 -2.837 -11.473 162 H ARG 41 H ARG 41 -11.708 -2.506 -9.136 163 HA ARG 41 HA ARG 41 -10.162 -0.546 -7.476 164 HB2 ARG 41 HB2 ARG 41 -12.574 -2.140 -6.537 165 HB3 ARG 41 HB3 ARG 41 -11.533 -1.095 -5.550 166 HG2 ARG 41 HG2 ARG 41 -12.187 0.853 -6.899 167 HG3 ARG 41 HG3 ARG 41 -13.293 -0.156 -7.852 168 HD2 ARG 41 HD2 ARG 41 -14.656 -0.664 -5.927 169 HD3 ARG 41 HD3 ARG 41 -13.454 0.002 -4.823 170 HE ARG 41 HE ARG 41 -14.104 2.138 -5.266 171 HH11 ARG 41 HH11 ARG 41 -15.808 0.123 -7.564 172 HH12 ARG 41 HH12 ARG 41 -16.881 1.405 -8.052 173 HH21 ARG 41 HH21 ARG 41 -15.529 3.735 -5.908 174 HH22 ARG 41 HH22 ARG 41 -16.717 3.400 -7.131 175 H PHE 42 H PHE 42 -8.436 -1.793 -8.192 176 HA PHE 42 HA PHE 42 -7.983 -4.555 -7.311 177 HB2 PHE 42 HB2 PHE 42 -5.883 -2.491 -8.049 178 HB3 PHE 42 HB3 PHE 42 -5.714 -4.239 -8.085 179 HD1 PHE 42 HD1 PHE 42 -8.192 -5.087 -9.576 180 HD2 PHE 42 HD2 PHE 42 -5.438 -1.829 -10.264 181 HE1 PHE 42 HE1 PHE 42 -8.798 -5.068 -11.974 182 HE2 PHE 42 HE2 PHE 42 -6.072 -1.801 -12.652 183 HZ PHE 42 HZ PHE 42 -7.753 -3.418 -13.515 184 H THR 43 H THR 43 -6.159 -5.109 -5.830 185 HA THR 43 HA THR 43 -5.948 -3.291 -3.456 186 HB THR 43 HB THR 43 -6.174 -6.317 -3.338 187 HG1 THR 43 HG1 THR 43 -8.283 -5.916 -2.610 188 HG21 THR 43 HG21 THR 43 -6.450 -4.151 -1.212 189 HG22 THR 43 HG22 THR 43 -5.071 -5.264 -1.384 190 HG23 THR 43 HG23 THR 43 -6.665 -5.896 -0.954 191 H ARG 44 H ARG 44 -3.936 -2.823 -2.941 192 HA ARG 44 HA ARG 44 -1.605 -4.645 -3.488 193 HB2 ARG 44 HB2 ARG 44 -1.779 -1.631 -3.839 194 HB3 ARG 44 HB3 ARG 44 -0.266 -2.536 -3.859 195 HG2 ARG 44 HG2 ARG 44 -2.504 -2.758 -5.898 196 HG3 ARG 44 HG3 ARG 44 -0.980 -1.899 -6.072 197 HD2 ARG 44 HD2 ARG 44 -0.615 -3.839 -7.244 198 HD3 ARG 44 HD3 ARG 44 0.218 -4.138 -5.712 199 HE ARG 44 HE ARG 44 -2.300 -5.199 -5.304 200 HH11 ARG 44 HH11 ARG 44 -0.083 -5.850 -7.930 201 HH12 ARG 44 HH12 ARG 44 -0.783 -7.422 -8.209 202 HH21 ARG 44 HH21 ARG 44 -3.057 -7.100 -5.620 203 HH22 ARG 44 HH22 ARG 44 -2.456 -8.150 -6.887 204 H TYR 45 H TYR 45 0.300 -3.921 -2.127 205 HA TYR 45 HA TYR 45 -0.517 -2.859 0.544 206 HB2 TYR 45 HB2 TYR 45 1.039 -5.411 -0.010 207 HB3 TYR 45 HB3 TYR 45 0.805 -4.685 1.571 208 HD1 TYR 45 HD2 TYR 45 -0.936 -6.440 -1.236 209 HD2 TYR 45 HD1 TYR 45 -1.315 -4.869 2.782 210 HE1 TYR 45 HE2 TYR 45 -3.057 -7.672 -0.954 211 HE2 TYR 45 HE1 TYR 45 -3.430 -6.163 3.057 212 HH TYR 45 HH TYR 45 -4.803 -8.175 0.449 213 H TYR 46 H TYR 46 0.949 -1.559 1.521 214 HA TYR 46 HA TYR 46 3.594 -1.095 0.193 215 HB2 TYR 46 HB2 TYR 46 1.421 0.937 0.804 216 HB3 TYR 46 HB3 TYR 46 3.083 1.361 0.448 217 HD1 TYR 46 HD2 TYR 46 -0.029 -0.061 -1.004 218 HD2 TYR 46 HD1 TYR 46 3.972 1.332 -1.798 219 HE1 TYR 46 HE2 TYR 46 -0.579 0.165 -3.444 220 HE2 TYR 46 HE1 TYR 46 3.426 1.513 -4.222 221 HH TYR 46 HH TYR 46 1.755 1.490 -5.779 222 H CYS 47 H CYS 47 5.233 -0.772 1.542 223 HA CYS 47 HA CYS 47 4.960 -0.761 4.429 224 HB2 CYS 47 HB2 CYS 47 7.216 -0.554 2.445 225 HB3 CYS 47 HB3 CYS 47 7.488 -0.009 4.090 226 H MET 48 H MET 48 4.464 0.855 5.666 227 HA MET 48 HA MET 48 4.685 3.692 4.748 228 HB2 MET 48 HB2 MET 48 2.764 2.454 6.754 229 HB3 MET 48 HB3 MET 48 2.783 4.133 6.215 230 HG2 MET 48 HG2 MET 48 2.091 1.694 4.571 231 HG3 MET 48 HG3 MET 48 1.010 2.972 5.092 232 HE1 MET 48 HE1 MET 48 2.636 5.662 4.456 233 HE2 MET 48 HE2 MET 48 2.002 5.994 2.830 234 HE3 MET 48 HE3 MET 48 0.917 5.383 4.097 235 H GLY 49 H GLY 49 6.580 1.814 6.439 236 HA2 GLY 49 HA2 GLY 49 8.347 2.498 7.880 237 HA3 GLY 49 HA3 GLY 49 7.423 3.916 8.368 238 H ASN 50 H ASN 50 8.314 0.754 9.166 239 HA ASN 50 HA ASN 50 7.950 -0.713 10.828 240 HB2 ASN 50 HB2 ASN 50 8.393 1.375 12.137 241 HB3 ASN 50 HB3 ASN 50 6.653 1.565 12.352 242 HD21 ASN 50 HD21 ASN 50 9.403 -0.652 13.027 243 HD22 ASN 50 HD22 ASN 50 8.643 -1.304 14.475 244 H CYS 51 H CYS 51 5.374 0.368 9.085 245 HA CYS 51 HA CYS 51 3.812 -2.044 9.767 246 HB2 CYS 51 HB2 CYS 51 2.783 -0.041 10.939 247 HB3 CYS 51 HB3 CYS 51 2.576 0.709 9.356 248 H CYS 52 H CYS 52 2.532 -2.766 7.961 249 HA CYS 52 HA CYS 52 3.014 -1.439 5.333 250 HB2 CYS 52 HB2 CYS 52 4.257 -3.514 5.350 251 HB3 CYS 52 HB3 CYS 52 2.838 -4.400 5.920 252 H LYS 53 H LYS 53 1.223 -0.436 4.809 253 HA LYS 53 HA LYS 53 -1.433 -1.379 5.794 254 HB2 LYS 53 HB2 LYS 53 -0.575 1.034 6.090 255 HB3 LYS 53 HB3 LYS 53 -0.822 1.226 4.347 256 HG2 LYS 53 HG2 LYS 53 -3.234 0.600 4.674 257 HG3 LYS 53 HG3 LYS 53 -2.938 0.441 6.410 258 HD2 LYS 53 HD2 LYS 53 -2.397 2.839 6.565 259 HD3 LYS 53 HD3 LYS 53 -2.490 2.995 4.806 260 HE2 LYS 53 HE2 LYS 53 -4.523 3.878 5.692 261 HE3 LYS 53 HE3 LYS 53 -4.897 2.367 4.865 262 HZ1 LYS 53 HZ1 LYS 53 -6.024 2.539 7.016 263 HZ2 LYS 53 HZ2 LYS 53 -4.609 2.674 7.813 264 HZ3 LYS 53 HZ3 LYS 53 -4.996 1.277 7.049 265 H VAL 54 H VAL 54 -3.096 -1.883 4.450 266 HA VAL 54 HA VAL 54 -2.579 -2.632 1.664 267 HB VAL 54 HB VAL 54 -4.116 -3.878 3.180 268 HG11 VAL 54 HG11 VAL 54 -6.378 -3.151 3.555 269 HG12 VAL 54 HG12 VAL 54 -5.274 -1.951 4.247 270 HG13 VAL 54 HG13 VAL 54 -6.091 -1.627 2.696 271 HG21 VAL 54 HG21 VAL 54 -5.773 -4.392 1.503 272 HG22 VAL 54 HG22 VAL 54 -5.473 -2.863 0.655 273 HG23 VAL 54 HG23 VAL 54 -4.214 -4.118 0.716 274 H TYR 55 H TYR 55 -3.386 -1.664 -0.155 275 HA TYR 55 HA TYR 55 -4.777 0.970 0.009 276 HB2 TYR 55 HB2 TYR 55 -2.255 0.269 -1.509 277 HB3 TYR 55 HB3 TYR 55 -3.386 1.423 -2.177 278 HD1 TYR 55 HD2 TYR 55 -1.271 0.799 0.877 279 HD2 TYR 55 HD1 TYR 55 -3.472 3.664 -1.488 280 HE1 TYR 55 HE2 TYR 55 -0.332 2.663 2.242 281 HE2 TYR 55 HE1 TYR 55 -2.540 5.512 -0.121 282 HH TYR 55 HH TYR 55 -1.260 6.076 1.676 283 H GLU 56 H GLU 56 -6.559 1.000 -1.213 284 HA GLU 56 HA GLU 56 -6.756 -0.797 -3.533 285 HB2 GLU 56 HB2 GLU 56 -9.063 -1.435 -3.003 286 HB3 GLU 56 HB3 GLU 56 -7.813 -2.127 -1.990 287 HG2 GLU 56 HG2 GLU 56 -9.612 -1.642 -0.611 288 HG3 GLU 56 HG3 GLU 56 -8.339 -0.521 -0.176 289 H GLY 57 H GLY 57 -8.212 -0.179 -5.153 290 HA2 GLY 57 HA2 GLY 57 -9.859 1.680 -5.798 291 HA3 GLY 57 HA3 GLY 57 -8.678 2.809 -5.173 292 H CYS 58 H CYS 58 -7.253 0.261 -6.870 293 HA CYS 58 HA CYS 58 -6.622 -0.142 -9.060 294 HB2 CYS 58 HB2 CYS 58 -8.391 1.442 -9.883 295 HB3 CYS 58 HB3 CYS 58 -7.181 2.715 -9.776 296 H TYR 59 H TYR 59 -4.666 -0.529 -8.153 297 HA TYR 59 HA TYR 59 -2.557 1.557 -8.329 298 HB2 TYR 59 HB2 TYR 59 -3.150 -0.306 -5.992 299 HB3 TYR 59 HB3 TYR 59 -1.623 0.531 -6.210 300 HD1 TYR 59 HD2 TYR 59 -5.265 1.034 -5.522 301 HD2 TYR 59 HD1 TYR 59 -1.354 2.849 -5.686 302 HE1 TYR 59 HE2 TYR 59 -6.154 3.056 -4.382 303 HE2 TYR 59 HE1 TYR 59 -2.243 4.849 -4.473 304 HH TYR 59 HH TYR 59 -5.643 5.054 -3.391 305 H THR 60 H THR 60 -0.865 0.822 -9.473 306 HA THR 60 HA THR 60 -0.622 -2.103 -10.078 307 HB THR 60 HB THR 60 0.386 -1.351 -12.225 308 HG1 THR 60 HG1 THR 60 1.047 0.699 -11.859 309 HG21 THR 60 HG21 THR 60 -2.024 -1.920 -12.077 310 HG22 THR 60 HG22 THR 60 -1.693 -0.662 -13.283 311 HG23 THR 60 HG23 THR 60 -2.398 -0.218 -11.717 312 H GLY 61 H GLY 61 0.951 0.200 -8.309 313 HA2 GLY 61 HA2 GLY 61 3.706 -0.886 -8.714 314 HA3 GLY 61 HA3 GLY 61 3.273 0.584 -7.839 315 H GLY 62 H GLY 62 4.802 -0.513 -6.328 316 HA2 GLY 62 HA2 GLY 62 5.107 -1.263 -4.169 317 HA3 GLY 62 HA3 GLY 62 3.352 -1.318 -4.003 318 H TYR 63 H TYR 63 3.771 -3.117 -2.601 319 HA TYR 63 HA TYR 63 4.700 -5.658 -3.780 320 HB2 TYR 63 HB2 TYR 63 3.602 -5.046 -1.014 321 HB3 TYR 63 HB3 TYR 63 4.330 -6.541 -1.538 322 HD1 TYR 63 HD1 TYR 63 6.765 -6.702 -2.013 323 HD2 TYR 63 HD2 TYR 63 4.994 -3.087 -0.476 324 HE1 TYR 63 HE1 TYR 63 9.017 -5.909 -1.275 325 HE2 TYR 63 HE2 TYR 63 7.245 -2.293 0.254 326 HH TYR 63 HH TYR 63 9.484 -2.730 0.304 327 H SER 64 H SER 64 3.375 -7.328 -4.343 328 HA SER 64 HA SER 64 0.627 -6.761 -5.007 329 HB2 SER 64 HB2 SER 64 0.563 -9.143 -5.715 330 HB3 SER 64 HB3 SER 64 1.928 -8.239 -6.397 331 HG SER 64 HG SER 64 2.585 -10.278 -5.578 332 H ARG 65 H ARG 65 2.109 -8.369 -2.285 333 HA ARG 65 HA ARG 65 -0.525 -8.758 -0.918 334 HB2 ARG 65 HB2 ARG 65 1.680 -10.826 -1.317 335 HB3 ARG 65 HB3 ARG 65 0.394 -11.018 -0.132 336 HG2 ARG 65 HG2 ARG 65 -0.106 -10.688 -3.120 337 HG3 ARG 65 HG3 ARG 65 0.032 -12.241 -2.286 338 HD2 ARG 65 HD2 ARG 65 -1.869 -11.636 -0.825 339 HD3 ARG 65 HD3 ARG 65 -2.046 -10.097 -1.693 340 HE ARG 65 HE ARG 65 -2.124 -12.113 -3.649 341 HH11 ARG 65 HH11 ARG 65 -4.150 -11.236 -0.939 342 HH12 ARG 65 HH12 ARG 65 -5.594 -11.846 -1.702 343 HH21 ARG 65 HH21 ARG 65 -3.983 -12.876 -4.567 344 HH22 ARG 65 HH22 ARG 65 -5.489 -12.752 -3.708 345 H MET 66 H MET 66 -0.431 -8.949 1.355 346 HA MET 66 HA MET 66 1.459 -7.303 2.690 347 HB2 MET 66 HB2 MET 66 -0.860 -7.854 3.469 348 HB3 MET 66 HB3 MET 66 -0.267 -9.439 3.987 349 HG2 MET 66 HG2 MET 66 1.379 -8.320 5.474 350 HG3 MET 66 HG3 MET 66 0.802 -6.742 4.941 351 HE1 MET 66 HE1 MET 66 -1.395 -5.620 5.653 352 HE2 MET 66 HE2 MET 66 -2.383 -6.936 4.972 353 HE3 MET 66 HE3 MET 66 -2.665 -6.385 6.634 354 H GLY 67 H GLY 67 1.429 -10.827 2.195 355 HA2 GLY 67 HA2 GLY 67 3.610 -11.540 3.883 356 HA3 GLY 67 HA3 GLY 67 3.092 -12.425 2.448 357 H GLU 68 H GLU 68 3.633 -10.031 0.676 358 HA GLU 68 HA GLU 68 6.504 -10.484 0.226 359 HB2 GLU 68 HB2 GLU 68 4.472 -8.727 -1.189 360 HB3 GLU 68 HB3 GLU 68 6.158 -8.893 -1.676 361 HG2 GLU 68 HG2 GLU 68 4.133 -11.168 -1.562 362 HG3 GLU 68 HG3 GLU 68 4.595 -10.279 -3.006 363 H CYS 69 H CYS 69 4.517 -7.586 1.184 364 HA CYS 69 HA CYS 69 6.860 -5.939 1.556 365 HB2 CYS 69 HB2 CYS 69 5.451 -4.387 2.719 366 HB3 CYS 69 HB3 CYS 69 4.658 -4.952 1.257 367 H ALA 70 H ALA 70 5.227 -8.206 3.753 368 HA ALA 70 HA ALA 70 6.579 -7.521 6.153 369 HB1 ALA 70 HB1 ALA 70 5.843 -9.753 6.895 370 HB2 ALA 70 HB2 ALA 70 4.554 -8.901 6.032 371 HB3 ALA 70 HB3 ALA 70 5.463 -10.196 5.216 372 H ARG 71 H ARG 71 8.059 -8.804 3.360 373 HA ARG 71 HA ARG 71 10.335 -10.081 4.760 374 HB2 ARG 71 HB2 ARG 71 10.117 -9.171 1.855 375 HB3 ARG 71 HB3 ARG 71 11.360 -10.205 2.568 376 HG2 ARG 71 HG2 ARG 71 9.362 -11.737 3.281 377 HG3 ARG 71 HG3 ARG 71 8.429 -10.828 2.098 378 HD2 ARG 71 HD2 ARG 71 9.191 -12.769 0.974 379 HD3 ARG 71 HD3 ARG 71 10.155 -11.416 0.353 380 HE ARG 71 HE ARG 71 11.514 -12.649 2.567 381 HH11 ARG 71 HH11 ARG 71 10.795 -13.384 -0.768 382 HH12 ARG 71 HH12 ARG 71 12.173 -14.441 -0.934 383 HH21 ARG 71 HH21 ARG 71 13.249 -13.995 2.310 384 HH22 ARG 71 HH22 ARG 71 13.523 -14.774 0.780 385 H ASN 72 H ASN 72 9.367 -6.950 4.217 386 HA ASN 72 HA ASN 72 12.106 -5.799 4.714 387 HB2 ASN 72 HB2 ASN 72 9.898 -4.749 2.891 388 HB3 ASN 72 HB3 ASN 72 11.329 -3.829 3.360 389 HD21 ASN 72 HD21 ASN 72 10.137 -6.277 1.190 390 HD22 ASN 72 HD22 ASN 72 11.700 -6.592 0.446 391 H CYS 73 H CYS 73 8.612 -4.995 5.056 392 HA CYS 73 HA CYS 73 8.989 -3.312 7.415 393 HB2 CYS 73 HB2 CYS 73 6.633 -4.638 6.029 394 HB3 CYS 73 HB3 CYS 73 6.453 -3.942 7.627 395 HA PRO 74 HA PRO 74 9.426 -6.512 10.421 396 HB2 PRO 74 HB2 PRO 74 8.266 -5.541 12.694 397 HB3 PRO 74 HB3 PRO 74 9.725 -4.814 11.953 398 HG2 PRO 74 HG2 PRO 74 6.835 -3.955 11.590 399 HG3 PRO 74 HG3 PRO 74 8.240 -2.937 12.042 400 HD2 PRO 74 HD2 PRO 74 7.386 -3.083 9.480 401 HD3 PRO 74 HD3 PRO 74 9.129 -3.019 9.857 402 H GLY 75 H GLY 75 6.197 -5.725 9.490 403 HA2 GLY 75 HA2 GLY 75 4.519 -7.387 9.004 404 HA3 GLY 75 HA3 GLY 75 5.163 -8.421 10.274 Start of MODEL 17 1 H1 GLY 19 H1 GLY 19 12.131 4.705 26.129 2 H2 GLY 19 H2 GLY 19 11.530 3.283 25.576 3 H3 GLY 19 H3 GLY 19 12.892 3.298 26.485 4 HA2 GLY 19 HA2 GLY 19 14.115 4.464 24.785 5 HA3 GLY 19 HA3 GLY 19 13.456 2.939 24.170 6 H ASP 20 H ASP 20 12.293 3.048 22.320 7 HA ASP 20 HA ASP 20 10.843 5.527 21.566 8 HB2 ASP 20 HB2 ASP 20 13.139 5.561 20.558 9 HB3 ASP 20 HB3 ASP 20 12.784 4.025 19.764 10 H LYS 21 H LYS 21 9.378 5.142 19.726 11 HA LYS 21 HA LYS 21 8.220 2.377 19.587 12 HB2 LYS 21 HB2 LYS 21 6.669 4.913 20.263 13 HB3 LYS 21 HB3 LYS 21 5.949 3.395 19.748 14 HG2 LYS 21 HG2 LYS 21 5.724 3.097 21.986 15 HG3 LYS 21 HG3 LYS 21 7.280 2.333 21.739 16 HD2 LYS 21 HD2 LYS 21 7.746 3.562 23.593 17 HD3 LYS 21 HD3 LYS 21 8.231 4.757 22.403 18 HE2 LYS 21 HE2 LYS 21 5.494 4.624 23.761 19 HE3 LYS 21 HE3 LYS 21 6.844 5.599 24.337 20 HZ1 LYS 21 HZ1 LYS 21 5.369 6.948 23.021 21 HZ2 LYS 21 HZ2 LYS 21 5.475 5.964 21.730 22 HZ3 LYS 21 HZ3 LYS 21 6.783 6.825 22.223 23 H GLU 22 H GLU 22 8.425 1.846 17.560 24 HA GLU 22 HA GLU 22 8.125 3.678 15.285 25 HB2 GLU 22 HB2 GLU 22 8.375 0.647 15.420 26 HB3 GLU 22 HB3 GLU 22 8.344 1.612 13.932 27 HG2 GLU 22 HG2 GLU 22 10.368 2.844 14.691 28 HG3 GLU 22 HG3 GLU 22 10.443 1.830 16.134 29 H GLU 23 H GLU 23 5.975 4.406 16.263 30 HA GLU 23 HA GLU 23 3.644 2.746 15.784 31 HB2 GLU 23 HB2 GLU 23 4.141 5.007 17.285 32 HB3 GLU 23 HB3 GLU 23 3.318 5.708 15.881 33 HG2 GLU 23 HG2 GLU 23 1.454 4.089 16.201 34 HG3 GLU 23 HG3 GLU 23 2.303 3.407 17.594 35 H CYS 24 H CYS 24 2.206 2.835 14.116 36 HA CYS 24 HA CYS 24 3.138 4.086 11.568 37 HB2 CYS 24 HB2 CYS 24 2.064 2.305 10.403 38 HB3 CYS 24 HB3 CYS 24 3.231 1.720 11.574 39 H THR 25 H THR 25 1.906 5.763 13.219 40 HA THR 25 HA THR 25 -0.885 6.236 12.761 41 HB THR 25 HB THR 25 0.595 7.196 14.531 42 HG1 THR 25 HG1 THR 25 -0.570 9.104 14.624 43 HG21 THR 25 HG21 THR 25 2.457 8.053 13.110 44 HG22 THR 25 HG22 THR 25 1.777 9.271 14.195 45 HG23 THR 25 HG23 THR 25 1.356 9.303 12.475 46 H VAL 26 H VAL 26 1.832 6.815 10.852 47 HA VAL 26 HA VAL 26 2.344 7.712 8.817 48 HB VAL 26 HB VAL 26 -0.530 7.502 7.942 49 HG11 VAL 26 HG11 VAL 26 1.082 8.659 6.421 50 HG12 VAL 26 HG12 VAL 26 2.144 7.235 6.482 51 HG13 VAL 26 HG13 VAL 26 0.529 7.120 5.753 52 HG21 VAL 26 HG21 VAL 26 -0.059 5.340 8.867 53 HG22 VAL 26 HG22 VAL 26 0.123 5.216 7.120 54 HG23 VAL 26 HG23 VAL 26 1.570 5.317 8.158 55 HA PRO 27 HA PRO 27 1.018 11.914 10.178 56 HB2 PRO 27 HB2 PRO 27 3.476 13.115 10.174 57 HB3 PRO 27 HB3 PRO 27 2.908 12.067 11.509 58 HG2 PRO 27 HG2 PRO 27 4.684 11.304 9.170 59 HG3 PRO 27 HG3 PRO 27 4.946 10.971 10.912 60 HD2 PRO 27 HD2 PRO 27 3.852 9.133 9.218 61 HD3 PRO 27 HD3 PRO 27 3.317 9.261 10.921 62 H ILE 28 H ILE 28 0.992 13.944 9.030 63 HA ILE 28 HA ILE 28 0.770 13.714 6.199 64 HB ILE 28 HB ILE 28 -0.500 15.298 7.591 65 HG12 ILE 28 HG12 ILE 28 1.014 16.708 5.355 66 HG13 ILE 28 HG13 ILE 28 -0.225 15.476 5.090 67 HG21 ILE 28 HG21 ILE 28 0.420 17.413 8.339 68 HG22 ILE 28 HG22 ILE 28 1.405 16.118 9.020 69 HG23 ILE 28 HG23 ILE 28 2.001 17.040 7.625 70 HD11 ILE 28 HD11 ILE 28 -1.888 16.886 6.292 71 HD12 ILE 28 HD12 ILE 28 -0.661 18.168 6.441 72 HD13 ILE 28 HD13 ILE 28 -1.223 17.660 4.841 73 H GLY 29 H GLY 29 2.063 14.264 4.520 74 HA2 GLY 29 HA2 GLY 29 3.974 15.116 3.421 75 HA3 GLY 29 HA3 GLY 29 4.801 15.326 4.953 76 H TRP 30 H TRP 30 3.579 12.187 5.095 77 HA TRP 30 HA TRP 30 6.074 10.872 4.436 78 HB2 TRP 30 HB2 TRP 30 4.390 10.077 6.117 79 HB3 TRP 30 HB3 TRP 30 3.280 9.715 4.799 80 HD1 TRP 30 HD1 TRP 30 3.883 7.641 3.249 81 HE1 TRP 30 HE1 TRP 30 5.496 5.630 3.480 82 HE3 TRP 30 HE3 TRP 30 6.486 9.180 7.346 83 HZ2 TRP 30 HZ2 TRP 30 7.612 4.805 5.246 84 HZ3 TRP 30 HZ3 TRP 30 8.291 7.752 8.321 85 HH2 TRP 30 HH2 TRP 30 8.866 5.578 7.272 86 H SER 31 H SER 31 6.473 9.445 2.671 87 HA SER 31 HA SER 31 5.421 10.308 0.090 88 HB2 SER 31 HB2 SER 31 7.417 8.125 0.794 89 HB3 SER 31 HB3 SER 31 7.082 8.747 -0.833 90 HG SER 31 HG SER 31 7.813 10.804 -0.133 91 H GLU 32 H GLU 32 3.178 9.650 0.626 92 HA GLU 32 HA GLU 32 2.454 6.822 0.491 93 HB2 GLU 32 HB2 GLU 32 0.091 7.893 0.076 94 HB3 GLU 32 HB3 GLU 32 0.853 7.889 1.648 95 HG2 GLU 32 HG2 GLU 32 -0.252 9.979 1.268 96 HG3 GLU 32 HG3 GLU 32 1.461 10.224 1.476 97 HA PRO 33 HA PRO 33 1.943 6.440 -3.982 98 HB2 PRO 33 HB2 PRO 33 0.225 4.360 -4.175 99 HB3 PRO 33 HB3 PRO 33 1.867 4.153 -3.503 100 HG2 PRO 33 HG2 PRO 33 -0.723 4.576 -1.961 101 HG3 PRO 33 HG3 PRO 33 0.496 3.285 -1.724 102 HD2 PRO 33 HD2 PRO 33 0.497 5.580 -0.243 103 HD3 PRO 33 HD3 PRO 33 2.019 4.774 -0.724 104 H VAL 34 H VAL 34 0.043 6.334 -5.637 105 HA VAL 34 HA VAL 34 -2.271 8.002 -4.744 106 HB VAL 34 HB VAL 34 -0.469 9.331 -5.869 107 HG11 VAL 34 HG11 VAL 34 -1.429 7.950 -8.411 108 HG12 VAL 34 HG12 VAL 34 -0.262 9.283 -8.286 109 HG13 VAL 34 HG13 VAL 34 0.152 7.685 -7.641 110 HG21 VAL 34 HG21 VAL 34 -1.995 10.683 -7.165 111 HG22 VAL 34 HG22 VAL 34 -3.163 9.358 -7.278 112 HG23 VAL 34 HG23 VAL 34 -2.809 10.109 -5.702 113 H LYS 35 H LYS 35 -4.204 7.664 -5.631 114 HA LYS 35 HA LYS 35 -4.896 5.123 -6.810 115 HB2 LYS 35 HB2 LYS 35 -6.314 6.656 -5.320 116 HB3 LYS 35 HB3 LYS 35 -6.548 7.690 -6.727 117 HG2 LYS 35 HG2 LYS 35 -7.507 5.628 -7.919 118 HG3 LYS 35 HG3 LYS 35 -7.408 4.786 -6.372 119 HD2 LYS 35 HD2 LYS 35 -9.000 7.337 -6.873 120 HD3 LYS 35 HD3 LYS 35 -9.664 5.701 -6.975 121 HE2 LYS 35 HE2 LYS 35 -9.062 5.295 -4.596 122 HE3 LYS 35 HE3 LYS 35 -8.384 6.925 -4.482 123 HZ1 LYS 35 HZ1 LYS 35 -10.605 7.815 -4.940 124 HZ2 LYS 35 HZ2 LYS 35 -10.653 6.851 -3.627 125 HZ3 LYS 35 HZ3 LYS 35 -11.236 6.310 -5.051 126 H GLY 36 H GLY 36 -5.480 4.603 -8.887 127 HA2 GLY 36 HA2 GLY 36 -4.402 6.241 -11.091 128 HA3 GLY 36 HA3 GLY 36 -5.067 4.626 -11.220 129 H LEU 37 H LEU 37 -7.454 6.179 -9.653 130 HA LEU 37 HA LEU 37 -9.576 6.808 -10.181 131 HB2 LEU 37 HB2 LEU 37 -7.961 8.641 -11.973 132 HB3 LEU 37 HB3 LEU 37 -9.700 8.740 -11.926 133 HG LEU 37 HG LEU 37 -8.734 10.434 -10.565 134 HD11 LEU 37 HD11 LEU 37 -10.934 9.501 -9.928 135 HD12 LEU 37 HD12 LEU 37 -10.037 10.157 -8.549 136 HD13 LEU 37 HD13 LEU 37 -10.133 8.403 -8.783 137 HD21 LEU 37 HD21 LEU 37 -6.662 9.284 -9.836 138 HD22 LEU 37 HD22 LEU 37 -7.631 8.303 -8.715 139 HD23 LEU 37 HD23 LEU 37 -7.544 10.059 -8.508 140 H CYS 38 H CYS 38 -8.551 4.488 -11.641 141 HA CYS 38 HA CYS 38 -9.826 4.433 -14.272 142 HB2 CYS 38 HB2 CYS 38 -8.930 2.079 -12.596 143 HB3 CYS 38 HB3 CYS 38 -9.109 2.123 -14.342 144 H LYS 39 H LYS 39 -11.368 2.603 -14.793 145 HA LYS 39 HA LYS 39 -13.791 2.668 -13.146 146 HB2 LYS 39 HB2 LYS 39 -13.094 1.233 -15.745 147 HB3 LYS 39 HB3 LYS 39 -14.689 1.200 -14.981 148 HG2 LYS 39 HG2 LYS 39 -14.811 3.677 -15.099 149 HG3 LYS 39 HG3 LYS 39 -13.262 3.710 -15.961 150 HD2 LYS 39 HD2 LYS 39 -14.227 2.325 -17.770 151 HD3 LYS 39 HD3 LYS 39 -15.786 2.286 -16.938 152 HE2 LYS 39 HE2 LYS 39 -14.378 4.822 -17.900 153 HE3 LYS 39 HE3 LYS 39 -15.614 3.959 -18.817 154 HZ1 LYS 39 HZ1 LYS 39 -16.047 5.214 -16.159 155 HZ2 LYS 39 HZ2 LYS 39 -17.179 4.377 -16.994 156 HZ3 LYS 39 HZ3 LYS 39 -16.598 5.781 -17.584 157 H ALA 40 H ALA 40 -11.090 0.835 -12.696 158 HA ALA 40 HA ALA 40 -12.601 -1.454 -11.497 159 HB1 ALA 40 HB1 ALA 40 -9.902 -1.527 -12.915 160 HB2 ALA 40 HB2 ALA 40 -10.727 -2.907 -12.162 161 HB3 ALA 40 HB3 ALA 40 -11.443 -2.118 -13.579 162 H ARG 41 H ARG 41 -11.545 -2.545 -9.773 163 HA ARG 41 HA ARG 41 -9.639 -0.960 -8.101 164 HB2 ARG 41 HB2 ARG 41 -10.954 -1.574 -6.095 165 HB3 ARG 41 HB3 ARG 41 -11.664 -0.349 -7.137 166 HG2 ARG 41 HG2 ARG 41 -13.410 -1.740 -7.867 167 HG3 ARG 41 HG3 ARG 41 -12.545 -3.225 -7.486 168 HD2 ARG 41 HD2 ARG 41 -14.305 -2.979 -5.889 169 HD3 ARG 41 HD3 ARG 41 -12.750 -2.767 -5.071 170 HE ARG 41 HE ARG 41 -14.002 -0.257 -5.944 171 HH11 ARG 41 HH11 ARG 41 -13.873 -2.522 -3.287 172 HH12 ARG 41 HH12 ARG 41 -14.533 -1.378 -2.149 173 HH21 ARG 41 HH21 ARG 41 -14.811 1.172 -4.449 174 HH22 ARG 41 HH22 ARG 41 -15.040 0.663 -2.803 175 H PHE 42 H PHE 42 -8.041 -2.311 -8.825 176 HA PHE 42 HA PHE 42 -7.834 -5.121 -8.112 177 HB2 PHE 42 HB2 PHE 42 -5.521 -3.181 -8.333 178 HB3 PHE 42 HB3 PHE 42 -5.523 -4.906 -8.670 179 HD1 PHE 42 HD1 PHE 42 -7.789 -5.283 -10.526 180 HD2 PHE 42 HD2 PHE 42 -4.917 -2.073 -10.282 181 HE1 PHE 42 HE1 PHE 42 -8.202 -4.731 -12.909 182 HE2 PHE 42 HE2 PHE 42 -5.328 -1.532 -12.676 183 HZ PHE 42 HZ PHE 42 -6.980 -2.850 -13.982 184 H THR 43 H THR 43 -6.034 -5.808 -6.501 185 HA THR 43 HA THR 43 -6.182 -4.191 -3.967 186 HB THR 43 HB THR 43 -5.985 -7.216 -4.023 187 HG1 THR 43 HG1 THR 43 -8.000 -6.571 -4.861 188 HG21 THR 43 HG21 THR 43 -6.718 -6.974 -1.677 189 HG22 THR 43 HG22 THR 43 -6.753 -5.207 -1.860 190 HG23 THR 43 HG23 THR 43 -5.209 -6.090 -1.952 191 H ARG 44 H ARG 44 -4.288 -3.346 -3.538 192 HA ARG 44 HA ARG 44 -1.753 -4.925 -3.924 193 HB2 ARG 44 HB2 ARG 44 -2.053 -1.895 -4.014 194 HB3 ARG 44 HB3 ARG 44 -0.571 -2.811 -4.270 195 HG2 ARG 44 HG2 ARG 44 -3.006 -2.699 -6.080 196 HG3 ARG 44 HG3 ARG 44 -1.429 -1.985 -6.380 197 HD2 ARG 44 HD2 ARG 44 -1.937 -4.985 -6.183 198 HD3 ARG 44 HD3 ARG 44 -1.835 -4.071 -7.686 199 HE ARG 44 HE ARG 44 0.519 -3.496 -6.218 200 HH11 ARG 44 HH11 ARG 44 -0.795 -6.324 -7.800 201 HH12 ARG 44 HH12 ARG 44 0.791 -6.957 -8.145 202 HH21 ARG 44 HH21 ARG 44 2.397 -4.284 -6.650 203 HH22 ARG 44 HH22 ARG 44 2.615 -5.821 -7.465 204 H TYR 45 H TYR 45 -0.037 -4.239 -2.421 205 HA TYR 45 HA TYR 45 -1.028 -3.164 0.190 206 HB2 TYR 45 HB2 TYR 45 0.739 -5.603 -0.216 207 HB3 TYR 45 HB3 TYR 45 0.415 -4.834 1.330 208 HD1 TYR 45 HD2 TYR 45 -1.813 -5.000 2.421 209 HD2 TYR 45 HD1 TYR 45 -1.018 -6.957 -1.361 210 HE1 TYR 45 HE2 TYR 45 -3.801 -6.466 2.735 211 HE2 TYR 45 HE1 TYR 45 -3.025 -8.366 -1.049 212 HH TYR 45 HH TYR 45 -4.779 -8.911 0.321 213 H TYR 46 H TYR 46 0.332 -1.827 1.253 214 HA TYR 46 HA TYR 46 3.077 -1.298 0.186 215 HB2 TYR 46 HB2 TYR 46 0.835 0.710 0.656 216 HB3 TYR 46 HB3 TYR 46 2.519 1.161 0.541 217 HD1 TYR 46 HD1 TYR 46 -0.300 -0.342 -1.413 218 HD2 TYR 46 HD2 TYR 46 3.599 1.500 -1.540 219 HE1 TYR 46 HE1 TYR 46 -0.558 0.018 -3.863 220 HE2 TYR 46 HE2 TYR 46 3.332 1.864 -3.997 221 HH TYR 46 HH TYR 46 0.357 0.961 -5.730 222 H CYS 47 H CYS 47 4.554 -1.041 1.806 223 HA CYS 47 HA CYS 47 3.730 -0.950 4.627 224 HB2 CYS 47 HB2 CYS 47 5.790 -2.109 3.953 225 HB3 CYS 47 HB3 CYS 47 6.444 -0.593 3.317 226 H MET 48 H MET 48 3.601 0.823 5.898 227 HA MET 48 HA MET 48 4.056 3.550 4.709 228 HB2 MET 48 HB2 MET 48 2.054 2.645 6.801 229 HB3 MET 48 HB3 MET 48 2.278 4.304 6.224 230 HG2 MET 48 HG2 MET 48 1.809 2.380 4.029 231 HG3 MET 48 HG3 MET 48 0.503 2.460 5.197 232 HE1 MET 48 HE1 MET 48 2.767 4.521 2.733 233 HE2 MET 48 HE2 MET 48 2.005 6.127 2.785 234 HE3 MET 48 HE3 MET 48 2.873 5.521 4.206 235 H GLY 49 H GLY 49 6.024 1.887 6.108 236 HA2 GLY 49 HA2 GLY 49 7.903 3.177 7.185 237 HA3 GLY 49 HA3 GLY 49 6.766 3.585 8.474 238 H ASN 50 H ASN 50 5.481 1.129 8.691 239 HA ASN 50 HA ASN 50 7.370 -1.078 8.960 240 HB2 ASN 50 HB2 ASN 50 6.982 -1.497 11.359 241 HB3 ASN 50 HB3 ASN 50 7.866 -0.009 11.055 242 HD21 ASN 50 HD21 ASN 50 5.409 -1.295 12.952 243 HD22 ASN 50 HD22 ASN 50 4.849 0.296 13.449 244 H CYS 51 H CYS 51 4.045 -0.024 9.857 245 HA CYS 51 HA CYS 51 2.869 -2.635 9.509 246 HB2 CYS 51 HB2 CYS 51 1.625 0.137 9.430 247 HB3 CYS 51 HB3 CYS 51 0.739 -1.372 9.608 248 H CYS 52 H CYS 52 2.102 -3.618 7.731 249 HA CYS 52 HA CYS 52 2.085 -2.430 5.041 250 HB2 CYS 52 HB2 CYS 52 0.974 -5.016 6.195 251 HB3 CYS 52 HB3 CYS 52 0.892 -4.572 4.499 252 H LYS 53 H LYS 53 0.403 -1.384 4.129 253 HA LYS 53 HA LYS 53 -2.362 -1.626 5.264 254 HB2 LYS 53 HB2 LYS 53 -1.213 0.625 5.612 255 HB3 LYS 53 HB3 LYS 53 -1.206 0.811 3.852 256 HG2 LYS 53 HG2 LYS 53 -3.740 0.480 3.924 257 HG3 LYS 53 HG3 LYS 53 -3.642 0.528 5.680 258 HD2 LYS 53 HD2 LYS 53 -2.821 2.736 3.741 259 HD3 LYS 53 HD3 LYS 53 -4.318 2.699 4.655 260 HE2 LYS 53 HE2 LYS 53 -1.523 2.867 5.875 261 HE3 LYS 53 HE3 LYS 53 -2.587 4.239 5.579 262 HZ1 LYS 53 HZ1 LYS 53 -2.791 3.504 7.867 263 HZ2 LYS 53 HZ2 LYS 53 -3.208 1.991 7.423 264 HZ3 LYS 53 HZ3 LYS 53 -4.209 3.245 7.108 265 H VAL 54 H VAL 54 -3.893 -2.245 3.858 266 HA VAL 54 HA VAL 54 -3.198 -3.018 1.117 267 HB VAL 54 HB VAL 54 -4.755 -4.301 2.600 268 HG11 VAL 54 HG11 VAL 54 -6.100 -2.396 3.477 269 HG12 VAL 54 HG12 VAL 54 -6.835 -2.218 1.861 270 HG13 VAL 54 HG13 VAL 54 -7.070 -3.710 2.789 271 HG21 VAL 54 HG21 VAL 54 -5.934 -3.493 -0.084 272 HG22 VAL 54 HG22 VAL 54 -4.645 -4.691 0.173 273 HG23 VAL 54 HG23 VAL 54 -6.258 -4.980 0.828 274 H TYR 55 H TYR 55 -3.954 -2.112 -0.773 275 HA TYR 55 HA TYR 55 -5.358 0.518 -0.702 276 HB2 TYR 55 HB2 TYR 55 -2.660 -0.121 -1.898 277 HB3 TYR 55 HB3 TYR 55 -3.704 1.051 -2.678 278 HD1 TYR 55 HD1 TYR 55 -4.397 3.122 -1.591 279 HD2 TYR 55 HD2 TYR 55 -1.616 0.445 0.320 280 HE1 TYR 55 HE1 TYR 55 -3.679 4.962 -0.091 281 HE2 TYR 55 HE2 TYR 55 -0.884 2.302 1.829 282 HH TYR 55 HH TYR 55 -2.334 5.574 1.636 283 H GLU 56 H GLU 56 -6.855 0.784 -2.203 284 HA GLU 56 HA GLU 56 -7.216 -1.242 -4.349 285 HB2 GLU 56 HB2 GLU 56 -9.341 -0.363 -2.358 286 HB3 GLU 56 HB3 GLU 56 -9.591 -1.412 -3.758 287 HG2 GLU 56 HG2 GLU 56 -8.051 -3.101 -2.739 288 HG3 GLU 56 HG3 GLU 56 -7.853 -2.054 -1.338 289 H GLY 57 H GLY 57 -7.320 -0.203 -6.226 290 HA2 GLY 57 HA2 GLY 57 -9.021 1.551 -7.334 291 HA3 GLY 57 HA3 GLY 57 -8.143 2.670 -6.311 292 H CYS 58 H CYS 58 -7.357 0.081 -8.657 293 HA CYS 58 HA CYS 58 -5.905 -0.049 -10.399 294 HB2 CYS 58 HB2 CYS 58 -7.650 1.740 -10.909 295 HB3 CYS 58 HB3 CYS 58 -6.341 2.899 -10.742 296 H TYR 59 H TYR 59 -4.567 0.390 -7.889 297 HA TYR 59 HA TYR 59 -2.470 2.362 -8.087 298 HB2 TYR 59 HB2 TYR 59 -2.994 0.008 -6.247 299 HB3 TYR 59 HB3 TYR 59 -1.505 0.925 -6.148 300 HD1 TYR 59 HD2 TYR 59 -5.176 1.153 -5.760 301 HD2 TYR 59 HD1 TYR 59 -1.400 3.131 -5.220 302 HE1 TYR 59 HE2 TYR 59 -6.320 2.963 -4.469 303 HE2 TYR 59 HE1 TYR 59 -2.524 4.899 -3.851 304 HH TYR 59 HH TYR 59 -6.045 4.891 -3.253 305 H THR 60 H THR 60 -2.444 -1.098 -8.596 306 HA THR 60 HA THR 60 -1.030 -2.681 -9.326 307 HB THR 60 HB THR 60 -0.094 -2.450 -11.513 308 HG1 THR 60 HG1 THR 60 -0.185 -0.472 -12.585 309 HG21 THR 60 HG21 THR 60 -2.554 -2.722 -11.269 310 HG22 THR 60 HG22 THR 60 -2.096 -1.855 -12.743 311 HG23 THR 60 HG23 THR 60 -2.742 -0.953 -11.360 312 H GLY 61 H GLY 61 0.597 -0.067 -8.072 313 HA2 GLY 61 HA2 GLY 61 3.335 -1.109 -8.323 314 HA3 GLY 61 HA3 GLY 61 2.813 0.339 -7.460 315 H GLY 62 H GLY 62 4.367 -0.368 -5.852 316 HA2 GLY 62 HA2 GLY 62 4.941 -1.214 -3.782 317 HA3 GLY 62 HA3 GLY 62 3.208 -1.430 -3.520 318 H TYR 63 H TYR 63 2.751 -3.414 -2.868 319 HA TYR 63 HA TYR 63 4.269 -5.781 -3.896 320 HB2 TYR 63 HB2 TYR 63 3.156 -5.261 -1.112 321 HB3 TYR 63 HB3 TYR 63 3.960 -6.723 -1.644 322 HD1 TYR 63 HD1 TYR 63 6.408 -6.770 -2.050 323 HD2 TYR 63 HD2 TYR 63 4.423 -3.201 -0.667 324 HE1 TYR 63 HE1 TYR 63 8.599 -5.822 -1.333 325 HE2 TYR 63 HE2 TYR 63 6.619 -2.256 0.047 326 HH TYR 63 HH TYR 63 8.879 -2.579 0.153 327 H SER 64 H SER 64 3.159 -7.758 -4.060 328 HA SER 64 HA SER 64 0.365 -7.554 -4.865 329 HB2 SER 64 HB2 SER 64 0.717 -9.935 -5.514 330 HB3 SER 64 HB3 SER 64 1.903 -8.822 -6.216 331 HG SER 64 HG SER 64 2.909 -10.691 -5.348 332 H ARG 65 H ARG 65 2.027 -8.703 -1.984 333 HA ARG 65 HA ARG 65 -0.580 -9.594 -0.815 334 HB2 ARG 65 HB2 ARG 65 2.073 -11.061 -0.526 335 HB3 ARG 65 HB3 ARG 65 0.546 -11.498 0.227 336 HG2 ARG 65 HG2 ARG 65 -0.439 -11.830 -2.053 337 HG3 ARG 65 HG3 ARG 65 1.162 -11.569 -2.759 338 HD2 ARG 65 HD2 ARG 65 0.504 -13.717 -0.704 339 HD3 ARG 65 HD3 ARG 65 0.535 -13.985 -2.453 340 HE ARG 65 HE ARG 65 3.050 -12.958 -1.951 341 HH11 ARG 65 HH11 ARG 65 1.334 -15.741 -0.716 342 HH12 ARG 65 HH12 ARG 65 2.801 -16.640 -0.446 343 HH21 ARG 65 HH21 ARG 65 4.898 -14.124 -1.532 344 HH22 ARG 65 HH22 ARG 65 4.749 -15.758 -0.938 345 H MET 66 H MET 66 -0.746 -9.514 1.404 346 HA MET 66 HA MET 66 0.563 -7.388 2.797 347 HB2 MET 66 HB2 MET 66 -1.777 -8.519 3.134 348 HB3 MET 66 HB3 MET 66 -0.914 -9.648 4.180 349 HG2 MET 66 HG2 MET 66 -0.154 -7.730 5.571 350 HG3 MET 66 HG3 MET 66 -0.916 -6.615 4.430 351 HE1 MET 66 HE1 MET 66 -2.038 -5.489 6.599 352 HE2 MET 66 HE2 MET 66 -2.966 -5.457 5.077 353 HE3 MET 66 HE3 MET 66 -3.788 -5.813 6.613 354 H GLY 67 H GLY 67 1.449 -10.742 2.428 355 HA2 GLY 67 HA2 GLY 67 3.343 -10.857 4.650 356 HA3 GLY 67 HA3 GLY 67 3.214 -11.994 3.310 357 H GLU 68 H GLU 68 3.599 -10.048 1.167 358 HA GLU 68 HA GLU 68 6.452 -10.246 0.979 359 HB2 GLU 68 HB2 GLU 68 4.430 -8.712 -0.683 360 HB3 GLU 68 HB3 GLU 68 6.133 -8.849 -1.110 361 HG2 GLU 68 HG2 GLU 68 4.225 -11.195 -0.789 362 HG3 GLU 68 HG3 GLU 68 4.642 -10.434 -2.321 363 H CYS 69 H CYS 69 4.384 -7.360 1.517 364 HA CYS 69 HA CYS 69 6.532 -5.477 1.788 365 HB2 CYS 69 HB2 CYS 69 4.823 -4.097 2.978 366 HB3 CYS 69 HB3 CYS 69 4.325 -4.713 1.409 367 H ALA 70 H ALA 70 5.097 -7.732 4.146 368 HA ALA 70 HA ALA 70 6.596 -6.726 6.411 369 HB1 ALA 70 HB1 ALA 70 4.394 -7.843 6.595 370 HB2 ALA 70 HB2 ALA 70 5.116 -9.363 6.023 371 HB3 ALA 70 HB3 ALA 70 5.637 -8.655 7.563 372 H ARG 71 H ARG 71 7.528 -8.864 3.810 373 HA ARG 71 HA ARG 71 9.837 -10.039 5.235 374 HB2 ARG 71 HB2 ARG 71 9.506 -9.702 2.221 375 HB3 ARG 71 HB3 ARG 71 10.641 -10.744 3.081 376 HG2 ARG 71 HG2 ARG 71 8.492 -11.824 4.121 377 HG3 ARG 71 HG3 ARG 71 7.660 -11.062 2.762 378 HD2 ARG 71 HD2 ARG 71 9.928 -13.065 2.574 379 HD3 ARG 71 HD3 ARG 71 8.217 -13.374 2.262 380 HE ARG 71 HE ARG 71 8.354 -11.785 0.319 381 HH11 ARG 71 HH11 ARG 71 11.358 -13.350 1.251 382 HH12 ARG 71 HH12 ARG 71 11.983 -13.199 -0.370 383 HH21 ARG 71 HH21 ARG 71 9.105 -11.668 -1.527 384 HH22 ARG 71 HH22 ARG 71 10.724 -12.221 -1.978 385 H ASN 72 H ASN 72 9.134 -7.048 3.827 386 HA ASN 72 HA ASN 72 11.991 -6.220 3.515 387 HB2 ASN 72 HB2 ASN 72 9.373 -5.138 2.380 388 HB3 ASN 72 HB3 ASN 72 10.919 -4.306 2.233 389 HD21 ASN 72 HD21 ASN 72 9.109 -7.249 1.180 390 HD22 ASN 72 HD22 ASN 72 10.301 -7.608 -0.060 391 H CYS 73 H CYS 73 8.944 -4.836 4.832 392 HA CYS 73 HA CYS 73 10.373 -2.903 6.500 393 HB2 CYS 73 HB2 CYS 73 7.535 -3.586 5.828 394 HB3 CYS 73 HB3 CYS 73 7.808 -2.861 7.397 395 HA PRO 74 HA PRO 74 10.878 -5.293 10.141 396 HB2 PRO 74 HB2 PRO 74 10.721 -3.486 12.177 397 HB3 PRO 74 HB3 PRO 74 11.983 -3.417 10.910 398 HG2 PRO 74 HG2 PRO 74 9.358 -1.901 10.991 399 HG3 PRO 74 HG3 PRO 74 11.005 -1.225 10.765 400 HD2 PRO 74 HD2 PRO 74 9.430 -1.769 8.637 401 HD3 PRO 74 HD3 PRO 74 11.176 -2.127 8.585 402 H GLY 75 H GLY 75 7.746 -4.097 9.628 403 HA2 GLY 75 HA2 GLY 75 6.300 -4.524 12.011 404 HA3 GLY 75 HA3 GLY 75 5.630 -4.653 10.387 Start of MODEL 18 1 H1 GLY 19 H1 GLY 19 -12.331 3.917 21.205 2 H2 GLY 19 H2 GLY 19 -12.801 2.979 19.947 3 H3 GLY 19 H3 GLY 19 -13.756 3.108 21.271 4 HA2 GLY 19 HA2 GLY 19 -12.157 1.987 22.647 5 HA3 GLY 19 HA3 GLY 19 -12.609 0.982 21.257 6 H ASP 20 H ASP 20 -10.663 -0.168 21.288 7 HA ASP 20 HA ASP 20 -8.056 1.070 21.383 8 HB2 ASP 20 HB2 ASP 20 -8.925 -1.783 20.800 9 HB3 ASP 20 HB3 ASP 20 -7.261 -1.260 21.069 10 H LYS 21 H LYS 21 -8.679 2.512 19.484 11 HA LYS 21 HA LYS 21 -8.013 1.484 16.789 12 HB2 LYS 21 HB2 LYS 21 -8.479 4.285 17.891 13 HB3 LYS 21 HB3 LYS 21 -7.964 3.958 16.227 14 HG2 LYS 21 HG2 LYS 21 -9.959 2.533 15.871 15 HG3 LYS 21 HG3 LYS 21 -10.524 2.905 17.510 16 HD2 LYS 21 HD2 LYS 21 -10.641 5.301 16.956 17 HD3 LYS 21 HD3 LYS 21 -10.040 4.989 15.325 18 HE2 LYS 21 HE2 LYS 21 -12.624 3.829 16.470 19 HE3 LYS 21 HE3 LYS 21 -12.539 5.315 15.523 20 HZ1 LYS 21 HZ1 LYS 21 -13.101 3.444 14.110 21 HZ2 LYS 21 HZ2 LYS 21 -11.752 2.629 14.525 22 HZ3 LYS 21 HZ3 LYS 21 -11.641 4.016 13.665 23 H GLU 22 H GLU 22 -6.074 0.665 16.678 24 HA GLU 22 HA GLU 22 -3.666 2.171 17.645 25 HB2 GLU 22 HB2 GLU 22 -4.112 -0.816 17.303 26 HB3 GLU 22 HB3 GLU 22 -2.583 -0.054 17.769 27 HG2 GLU 22 HG2 GLU 22 -3.725 0.964 19.753 28 HG3 GLU 22 HG3 GLU 22 -5.170 0.030 19.366 29 H GLU 23 H GLU 23 -5.021 2.513 14.963 30 HA GLU 23 HA GLU 23 -3.516 1.420 12.850 31 HB2 GLU 23 HB2 GLU 23 -5.610 2.441 12.485 32 HB3 GLU 23 HB3 GLU 23 -5.118 3.957 13.268 33 HG2 GLU 23 HG2 GLU 23 -3.651 4.495 11.442 34 HG3 GLU 23 HG3 GLU 23 -3.931 2.914 10.693 35 H CYS 24 H CYS 24 -1.883 2.116 11.712 36 HA CYS 24 HA CYS 24 0.232 3.818 12.915 37 HB2 CYS 24 HB2 CYS 24 0.089 1.933 10.582 38 HB3 CYS 24 HB3 CYS 24 1.272 3.243 10.551 39 H THR 25 H THR 25 -0.979 5.766 12.963 40 HA THR 25 HA THR 25 -1.505 7.281 10.508 41 HB THR 25 HB THR 25 -1.389 9.283 12.002 42 HG1 THR 25 HG1 THR 25 -1.468 7.557 14.208 43 HG21 THR 25 HG21 THR 25 -3.468 8.801 13.220 44 HG22 THR 25 HG22 THR 25 -3.253 7.056 12.946 45 HG23 THR 25 HG23 THR 25 -3.530 8.149 11.574 46 H VAL 26 H VAL 26 -0.188 8.717 9.465 47 HA VAL 26 HA VAL 26 2.679 8.961 10.197 48 HB VAL 26 HB VAL 26 3.302 8.519 7.801 49 HG11 VAL 26 HG11 VAL 26 3.620 6.831 9.595 50 HG12 VAL 26 HG12 VAL 26 2.049 6.116 9.169 51 HG13 VAL 26 HG13 VAL 26 3.375 6.129 7.993 52 HG21 VAL 26 HG21 VAL 26 1.879 7.277 6.333 53 HG22 VAL 26 HG22 VAL 26 0.556 7.252 7.515 54 HG23 VAL 26 HG23 VAL 26 1.060 8.781 6.754 55 HA PRO 27 HA PRO 27 2.054 13.117 8.842 56 HB2 PRO 27 HB2 PRO 27 4.486 13.896 7.820 57 HB3 PRO 27 HB3 PRO 27 4.187 13.615 9.561 58 HG2 PRO 27 HG2 PRO 27 5.370 11.675 7.544 59 HG3 PRO 27 HG3 PRO 27 6.017 12.125 9.159 60 HD2 PRO 27 HD2 PRO 27 4.560 9.884 8.834 61 HD3 PRO 27 HD3 PRO 27 4.318 10.903 10.277 62 H ILE 28 H ILE 28 1.679 14.441 7.051 63 HA ILE 28 HA ILE 28 0.780 13.254 4.669 64 HB ILE 28 HB ILE 28 -0.050 15.361 5.583 65 HG12 ILE 28 HG12 ILE 28 -0.259 16.717 3.545 66 HG13 ILE 28 HG13 ILE 28 1.009 15.787 2.756 67 HG21 ILE 28 HG21 ILE 28 2.093 16.378 6.322 68 HG22 ILE 28 HG22 ILE 28 2.538 16.657 4.623 69 HG23 ILE 28 HG23 ILE 28 1.138 17.481 5.331 70 HD11 ILE 28 HD11 ILE 28 -1.656 14.659 3.752 71 HD12 ILE 28 HD12 ILE 28 -1.291 15.108 2.074 72 HD13 ILE 28 HD13 ILE 28 -0.424 13.763 2.830 73 H GLY 29 H GLY 29 3.978 14.390 5.409 74 HA2 GLY 29 HA2 GLY 29 4.934 14.541 2.663 75 HA3 GLY 29 HA3 GLY 29 5.890 14.705 4.129 76 H TRP 30 H TRP 30 4.224 11.697 4.350 77 HA TRP 30 HA TRP 30 6.623 10.176 3.923 78 HB2 TRP 30 HB2 TRP 30 4.657 9.719 5.510 79 HB3 TRP 30 HB3 TRP 30 3.770 9.141 4.104 80 HD1 TRP 30 HD1 TRP 30 4.822 6.959 2.895 81 HE1 TRP 30 HE1 TRP 30 6.357 5.045 3.716 82 HE3 TRP 30 HE3 TRP 30 6.276 8.997 7.313 83 HZ2 TRP 30 HZ2 TRP 30 8.059 4.536 5.996 84 HZ3 TRP 30 HZ3 TRP 30 7.841 7.775 8.835 85 HH2 TRP 30 HH2 TRP 30 8.741 5.556 8.176 86 H SER 31 H SER 31 6.910 8.489 2.349 87 HA SER 31 HA SER 31 6.178 9.200 -0.387 88 HB2 SER 31 HB2 SER 31 8.401 8.302 0.323 89 HB3 SER 31 HB3 SER 31 7.642 6.726 0.588 90 HG SER 31 HG SER 31 7.876 8.212 -1.849 91 H GLU 32 H GLU 32 3.895 9.078 0.006 92 HA GLU 32 HA GLU 32 2.531 6.496 0.215 93 HB2 GLU 32 HB2 GLU 32 0.479 7.819 -0.125 94 HB3 GLU 32 HB3 GLU 32 1.505 8.469 1.151 95 HG2 GLU 32 HG2 GLU 32 2.277 10.271 -0.330 96 HG3 GLU 32 HG3 GLU 32 1.406 9.564 -1.692 97 HA PRO 33 HA PRO 33 2.075 5.664 -4.211 98 HB2 PRO 33 HB2 PRO 33 -0.221 4.191 -4.290 99 HB3 PRO 33 HB3 PRO 33 1.299 3.591 -3.572 100 HG2 PRO 33 HG2 PRO 33 -1.058 4.855 -2.134 101 HG3 PRO 33 HG3 PRO 33 -0.237 3.308 -1.749 102 HD2 PRO 33 HD2 PRO 33 0.392 5.627 -0.474 103 HD3 PRO 33 HD3 PRO 33 1.645 4.417 -0.867 104 H VAL 34 H VAL 34 0.341 5.868 -5.965 105 HA VAL 34 HA VAL 34 -1.543 8.131 -5.512 106 HB VAL 34 HB VAL 34 0.465 8.991 -6.572 107 HG11 VAL 34 HG11 VAL 34 1.068 8.462 -8.870 108 HG12 VAL 34 HG12 VAL 34 1.171 6.997 -7.880 109 HG13 VAL 34 HG13 VAL 34 -0.214 7.239 -8.968 110 HG21 VAL 34 HG21 VAL 34 -1.917 9.020 -8.466 111 HG22 VAL 34 HG22 VAL 34 -1.736 10.029 -7.011 112 HG23 VAL 34 HG23 VAL 34 -0.613 10.215 -8.366 113 H LYS 35 H LYS 35 -3.495 7.930 -6.345 114 HA LYS 35 HA LYS 35 -4.279 5.326 -7.512 115 HB2 LYS 35 HB2 LYS 35 -5.471 6.619 -5.576 116 HB3 LYS 35 HB3 LYS 35 -6.135 7.635 -6.850 117 HG2 LYS 35 HG2 LYS 35 -6.883 5.383 -7.950 118 HG3 LYS 35 HG3 LYS 35 -6.503 4.634 -6.411 119 HD2 LYS 35 HD2 LYS 35 -8.484 6.917 -6.841 120 HD3 LYS 35 HD3 LYS 35 -8.919 5.214 -6.708 121 HE2 LYS 35 HE2 LYS 35 -8.021 5.120 -4.412 122 HE3 LYS 35 HE3 LYS 35 -7.455 6.787 -4.531 123 HZ1 LYS 35 HZ1 LYS 35 -9.572 6.656 -3.357 124 HZ2 LYS 35 HZ2 LYS 35 -10.310 5.965 -4.637 125 HZ3 LYS 35 HZ3 LYS 35 -9.769 7.507 -4.732 126 H GLY 36 H GLY 36 -4.927 5.025 -9.555 127 HA2 GLY 36 HA2 GLY 36 -4.574 7.087 -11.606 128 HA3 GLY 36 HA3 GLY 36 -5.002 5.403 -11.860 129 H LEU 37 H LEU 37 -7.230 6.502 -9.695 130 HA LEU 37 HA LEU 37 -9.493 6.767 -9.776 131 HB2 LEU 37 HB2 LEU 37 -8.466 8.975 -11.572 132 HB3 LEU 37 HB3 LEU 37 -10.179 8.799 -11.320 133 HG LEU 37 HG LEU 37 -9.315 10.491 -9.901 134 HD11 LEU 37 HD11 LEU 37 -10.137 8.113 -8.188 135 HD12 LEU 37 HD12 LEU 37 -11.242 9.149 -9.115 136 HD13 LEU 37 HD13 LEU 37 -10.286 9.834 -7.793 137 HD21 LEU 37 HD21 LEU 37 -7.819 10.115 -8.041 138 HD22 LEU 37 HD22 LEU 37 -7.017 9.661 -9.556 139 HD23 LEU 37 HD23 LEU 37 -7.645 8.404 -8.470 140 H CYS 38 H CYS 38 -8.428 4.785 -11.762 141 HA CYS 38 HA CYS 38 -10.250 4.885 -14.024 142 HB2 CYS 38 HB2 CYS 38 -9.361 2.780 -14.690 143 HB3 CYS 38 HB3 CYS 38 -8.067 3.846 -14.227 144 H LYS 39 H LYS 39 -11.569 2.939 -14.581 145 HA LYS 39 HA LYS 39 -13.801 2.792 -12.724 146 HB2 LYS 39 HB2 LYS 39 -13.369 1.519 -15.459 147 HB3 LYS 39 HB3 LYS 39 -14.889 1.488 -14.553 148 HG2 LYS 39 HG2 LYS 39 -14.815 4.021 -14.472 149 HG3 LYS 39 HG3 LYS 39 -13.478 3.968 -15.625 150 HD2 LYS 39 HD2 LYS 39 -16.263 2.806 -16.097 151 HD3 LYS 39 HD3 LYS 39 -15.711 4.392 -16.651 152 HE2 LYS 39 HE2 LYS 39 -13.919 3.308 -17.994 153 HE3 LYS 39 HE3 LYS 39 -14.500 1.718 -17.478 154 HZ1 LYS 39 HZ1 LYS 39 -16.628 2.218 -18.561 155 HZ2 LYS 39 HZ2 LYS 39 -15.413 2.336 -19.645 156 HZ3 LYS 39 HZ3 LYS 39 -16.093 3.687 -19.035 157 H ALA 40 H ALA 40 -11.107 1.051 -12.433 158 HA ALA 40 HA ALA 40 -12.507 -1.365 -11.355 159 HB1 ALA 40 HB1 ALA 40 -11.116 -1.911 -13.317 160 HB2 ALA 40 HB2 ALA 40 -9.705 -1.164 -12.534 161 HB3 ALA 40 HB3 ALA 40 -10.444 -2.621 -11.838 162 H ARG 41 H ARG 41 -11.719 -2.240 -9.444 163 HA ARG 41 HA ARG 41 -10.037 -0.507 -7.669 164 HB2 ARG 41 HB2 ARG 41 -12.577 -2.021 -6.930 165 HB3 ARG 41 HB3 ARG 41 -11.486 -1.208 -5.793 166 HG2 ARG 41 HG2 ARG 41 -11.892 0.943 -6.921 167 HG3 ARG 41 HG3 ARG 41 -13.060 0.169 -8.008 168 HD2 ARG 41 HD2 ARG 41 -14.548 -0.378 -6.200 169 HD3 ARG 41 HD3 ARG 41 -13.310 -0.053 -4.989 170 HE ARG 41 HE ARG 41 -13.663 2.196 -5.101 171 HH11 ARG 41 HH11 ARG 41 -15.533 0.798 -7.706 172 HH12 ARG 41 HH12 ARG 41 -16.415 2.273 -7.998 173 HH21 ARG 41 HH21 ARG 41 -14.845 4.038 -5.492 174 HH22 ARG 41 HH22 ARG 41 -16.024 4.060 -6.769 175 H PHE 42 H PHE 42 -8.193 -1.588 -7.974 176 HA PHE 42 HA PHE 42 -7.935 -4.495 -7.631 177 HB2 PHE 42 HB2 PHE 42 -5.751 -2.389 -7.749 178 HB3 PHE 42 HB3 PHE 42 -5.598 -4.107 -8.085 179 HD1 PHE 42 HD2 PHE 42 -7.602 -4.823 -10.003 180 HD2 PHE 42 HD1 PHE 42 -5.436 -1.107 -9.679 181 HE1 PHE 42 HE2 PHE 42 -8.021 -4.362 -12.402 182 HE2 PHE 42 HE1 PHE 42 -5.865 -0.646 -12.075 183 HZ PHE 42 HZ PHE 42 -7.159 -2.274 -13.440 184 H THR 43 H THR 43 -6.190 -5.238 -6.078 185 HA THR 43 HA THR 43 -6.263 -3.818 -3.439 186 HB THR 43 HB THR 43 -6.268 -6.834 -3.795 187 HG1 THR 43 HG1 THR 43 -8.405 -6.687 -3.066 188 HG21 THR 43 HG21 THR 43 -5.252 -6.030 -1.675 189 HG22 THR 43 HG22 THR 43 -6.805 -6.817 -1.377 190 HG23 THR 43 HG23 THR 43 -6.699 -5.044 -1.359 191 H ARG 44 H ARG 44 -4.293 -3.124 -2.991 192 HA ARG 44 HA ARG 44 -1.845 -4.736 -3.710 193 HB2 ARG 44 HB2 ARG 44 -2.248 -1.720 -3.779 194 HB3 ARG 44 HB3 ARG 44 -0.667 -2.492 -3.848 195 HG2 ARG 44 HG2 ARG 44 -2.852 -2.683 -5.938 196 HG3 ARG 44 HG3 ARG 44 -1.387 -1.727 -6.019 197 HD2 ARG 44 HD2 ARG 44 -0.907 -3.578 -7.349 198 HD3 ARG 44 HD3 ARG 44 -0.038 -3.896 -5.835 199 HE ARG 44 HE ARG 44 -2.588 -5.124 -5.651 200 HH11 ARG 44 HH11 ARG 44 0.285 -5.652 -7.564 201 HH12 ARG 44 HH12 ARG 44 -0.077 -7.345 -7.773 202 HH21 ARG 44 HH21 ARG 44 -2.930 -7.177 -5.808 203 HH22 ARG 44 HH22 ARG 44 -1.909 -8.221 -6.774 204 H TYR 45 H TYR 45 -0.063 -4.443 -2.338 205 HA TYR 45 HA TYR 45 -0.793 -3.624 0.449 206 HB2 TYR 45 HB2 TYR 45 0.955 -5.911 -0.498 207 HB3 TYR 45 HB3 TYR 45 0.765 -5.404 1.177 208 HD1 TYR 45 HD1 TYR 45 -1.033 -6.856 -1.766 209 HD2 TYR 45 HD2 TYR 45 -1.214 -5.963 2.450 210 HE1 TYR 45 HE1 TYR 45 -3.054 -8.286 -1.552 211 HE2 TYR 45 HE2 TYR 45 -3.226 -7.427 2.663 212 HH TYR 45 HH TYR 45 -4.703 -8.801 1.585 213 H TYR 46 H TYR 46 0.666 -2.538 1.657 214 HA TYR 46 HA TYR 46 3.172 -1.529 0.432 215 HB2 TYR 46 HB2 TYR 46 0.806 0.213 1.267 216 HB3 TYR 46 HB3 TYR 46 2.416 0.827 0.989 217 HD1 TYR 46 HD2 TYR 46 3.386 1.007 -1.256 218 HD2 TYR 46 HD1 TYR 46 -0.630 -0.448 -0.662 219 HE1 TYR 46 HE2 TYR 46 2.848 1.477 -3.648 220 HE2 TYR 46 HE1 TYR 46 -1.167 0.057 -3.047 221 HH TYR 46 HH TYR 46 -0.440 1.021 -4.963 222 H CYS 47 H CYS 47 4.290 -0.041 2.067 223 HA CYS 47 HA CYS 47 3.628 -0.617 4.901 224 HB2 CYS 47 HB2 CYS 47 5.310 -2.301 4.216 225 HB3 CYS 47 HB3 CYS 47 6.345 -1.012 3.603 226 H MET 48 H MET 48 4.172 0.983 6.298 227 HA MET 48 HA MET 48 5.622 3.404 5.324 228 HB2 MET 48 HB2 MET 48 2.929 3.614 6.693 229 HB3 MET 48 HB3 MET 48 3.980 4.928 6.174 230 HG2 MET 48 HG2 MET 48 3.661 4.304 3.825 231 HG3 MET 48 HG3 MET 48 2.602 2.964 4.292 232 HE1 MET 48 HE1 MET 48 0.935 6.627 2.856 233 HE2 MET 48 HE2 MET 48 2.672 6.643 3.214 234 HE3 MET 48 HE3 MET 48 1.974 5.320 2.236 235 H GLY 49 H GLY 49 7.186 2.144 6.632 236 HA2 GLY 49 HA2 GLY 49 8.598 2.855 8.460 237 HA3 GLY 49 HA3 GLY 49 7.182 3.069 9.483 238 H ASN 50 H ASN 50 6.669 1.437 10.823 239 HA ASN 50 HA ASN 50 7.925 -1.262 10.485 240 HB2 ASN 50 HB2 ASN 50 8.777 0.192 12.348 241 HB3 ASN 50 HB3 ASN 50 7.160 0.150 13.066 242 HD21 ASN 50 HD21 ASN 50 8.481 -0.735 14.943 243 HD22 ASN 50 HD22 ASN 50 8.804 -2.468 14.911 244 H CYS 51 H CYS 51 5.502 -0.510 9.222 245 HA CYS 51 HA CYS 51 3.685 -2.595 10.154 246 HB2 CYS 51 HB2 CYS 51 1.757 -0.839 10.220 247 HB3 CYS 51 HB3 CYS 51 2.753 -1.181 11.624 248 H CYS 52 H CYS 52 3.533 -3.604 8.358 249 HA CYS 52 HA CYS 52 2.953 -2.502 5.716 250 HB2 CYS 52 HB2 CYS 52 2.967 -5.242 6.988 251 HB3 CYS 52 HB3 CYS 52 2.107 -5.002 5.484 252 H LYS 53 H LYS 53 0.988 -2.767 4.602 253 HA LYS 53 HA LYS 53 -1.573 -3.319 5.866 254 HB2 LYS 53 HB2 LYS 53 -2.390 -0.866 5.303 255 HB3 LYS 53 HB3 LYS 53 -1.599 -1.237 6.835 256 HG2 LYS 53 HG2 LYS 53 0.500 -0.324 5.994 257 HG3 LYS 53 HG3 LYS 53 -0.239 -0.061 4.404 258 HD2 LYS 53 HD2 LYS 53 -1.618 1.694 5.212 259 HD3 LYS 53 HD3 LYS 53 -1.528 1.149 6.884 260 HE2 LYS 53 HE2 LYS 53 0.838 2.312 5.362 261 HE3 LYS 53 HE3 LYS 53 -0.251 3.260 6.375 262 HZ1 LYS 53 HZ1 LYS 53 1.638 2.604 7.696 263 HZ2 LYS 53 HZ2 LYS 53 1.457 1.011 7.345 264 HZ3 LYS 53 HZ3 LYS 53 0.339 1.793 8.251 265 H VAL 54 H VAL 54 -3.297 -2.248 4.279 266 HA VAL 54 HA VAL 54 -2.707 -3.178 1.516 267 HB VAL 54 HB VAL 54 -3.805 -4.940 2.904 268 HG11 VAL 54 HG11 VAL 54 -6.159 -4.817 3.442 269 HG12 VAL 54 HG12 VAL 54 -5.313 -3.502 4.273 270 HG13 VAL 54 HG13 VAL 54 -6.274 -3.165 2.812 271 HG21 VAL 54 HG21 VAL 54 -5.429 -5.589 1.226 272 HG22 VAL 54 HG22 VAL 54 -5.482 -3.936 0.579 273 HG23 VAL 54 HG23 VAL 54 -3.993 -4.905 0.454 274 H TYR 55 H TYR 55 -3.836 -2.209 -0.111 275 HA TYR 55 HA TYR 55 -5.465 0.225 0.462 276 HB2 TYR 55 HB2 TYR 55 -3.013 -0.079 -1.304 277 HB3 TYR 55 HB3 TYR 55 -4.208 1.170 -1.581 278 HD1 TYR 55 HD1 TYR 55 -1.977 -0.147 1.189 279 HD2 TYR 55 HD2 TYR 55 -4.029 3.245 -0.527 280 HE1 TYR 55 HE1 TYR 55 -0.968 1.347 2.916 281 HE2 TYR 55 HE2 TYR 55 -2.996 4.724 1.183 282 HH TYR 55 HH TYR 55 -1.670 4.841 3.039 283 H GLU 56 H GLU 56 -7.130 0.559 -0.877 284 HA GLU 56 HA GLU 56 -7.825 -1.576 -2.858 285 HB2 GLU 56 HB2 GLU 56 -9.581 -0.268 -0.749 286 HB3 GLU 56 HB3 GLU 56 -10.124 -1.404 -1.991 287 HG2 GLU 56 HG2 GLU 56 -8.634 -3.152 -1.045 288 HG3 GLU 56 HG3 GLU 56 -8.112 -2.032 0.216 289 H GLY 57 H GLY 57 -7.950 -0.708 -4.832 290 HA2 GLY 57 HA2 GLY 57 -9.647 1.175 -5.862 291 HA3 GLY 57 HA3 GLY 57 -8.351 2.179 -5.211 292 H CYS 58 H CYS 58 -8.344 2.731 -7.565 293 HA CYS 58 HA CYS 58 -7.041 0.927 -9.451 294 HB2 CYS 58 HB2 CYS 58 -8.638 2.721 -10.099 295 HB3 CYS 58 HB3 CYS 58 -7.451 3.928 -9.598 296 H TYR 59 H TYR 59 -5.279 0.329 -7.966 297 HA TYR 59 HA TYR 59 -2.926 2.194 -8.060 298 HB2 TYR 59 HB2 TYR 59 -3.716 0.175 -5.923 299 HB3 TYR 59 HB3 TYR 59 -2.205 1.061 -5.963 300 HD1 TYR 59 HD1 TYR 59 -2.214 3.597 -5.760 301 HD2 TYR 59 HD2 TYR 59 -5.681 1.161 -4.970 302 HE1 TYR 59 HE1 TYR 59 -3.190 5.430 -4.373 303 HE2 TYR 59 HE2 TYR 59 -6.654 2.987 -3.587 304 HH TYR 59 HH TYR 59 -6.230 5.012 -2.548 305 H THR 60 H THR 60 -1.025 1.399 -8.761 306 HA THR 60 HA THR 60 -0.774 -1.497 -9.514 307 HB THR 60 HB THR 60 0.364 -0.703 -11.576 308 HG1 THR 60 HG1 THR 60 0.080 1.480 -12.133 309 HG21 THR 60 HG21 THR 60 -2.065 -1.273 -11.614 310 HG22 THR 60 HG22 THR 60 -1.615 -0.041 -12.806 311 HG23 THR 60 HG23 THR 60 -2.450 0.437 -11.316 312 H GLY 61 H GLY 61 0.741 0.938 -7.709 313 HA2 GLY 61 HA2 GLY 61 3.511 0.228 -8.399 314 HA3 GLY 61 HA3 GLY 61 2.968 1.493 -7.310 315 H GLY 62 H GLY 62 1.372 -1.172 -6.243 316 HA2 GLY 62 HA2 GLY 62 3.246 -1.454 -3.960 317 HA3 GLY 62 HA3 GLY 62 1.535 -1.837 -3.973 318 H TYR 63 H TYR 63 2.943 -3.503 -2.702 319 HA TYR 63 HA TYR 63 4.014 -5.795 -4.145 320 HB2 TYR 63 HB2 TYR 63 3.147 -5.351 -1.255 321 HB3 TYR 63 HB3 TYR 63 3.881 -6.823 -1.849 322 HD1 TYR 63 HD2 TYR 63 6.265 -6.918 -2.471 323 HD2 TYR 63 HD1 TYR 63 4.482 -3.281 -0.985 324 HE1 TYR 63 HE2 TYR 63 8.532 -5.993 -1.992 325 HE2 TYR 63 HE1 TYR 63 6.743 -2.358 -0.524 326 HH TYR 63 HH TYR 63 8.995 -2.698 -0.671 327 H SER 64 H SER 64 3.084 -7.924 -4.124 328 HA SER 64 HA SER 64 0.284 -7.969 -4.863 329 HB2 SER 64 HB2 SER 64 0.772 -10.373 -5.331 330 HB3 SER 64 HB3 SER 64 1.903 -9.255 -6.116 331 HG SER 64 HG SER 64 3.002 -10.993 -5.104 332 H ARG 65 H ARG 65 2.089 -9.009 -2.010 333 HA ARG 65 HA ARG 65 -0.449 -9.497 -0.528 334 HB2 ARG 65 HB2 ARG 65 1.967 -11.361 -0.509 335 HB3 ARG 65 HB3 ARG 65 0.579 -11.468 0.576 336 HG2 ARG 65 HG2 ARG 65 -0.894 -11.758 -1.434 337 HG3 ARG 65 HG3 ARG 65 0.566 -11.879 -2.429 338 HD2 ARG 65 HD2 ARG 65 0.344 -13.730 -0.051 339 HD3 ARG 65 HD3 ARG 65 -0.746 -14.004 -1.399 340 HE ARG 65 HE ARG 65 0.964 -14.734 -2.738 341 HH11 ARG 65 HH11 ARG 65 2.523 -13.415 0.112 342 HH12 ARG 65 HH12 ARG 65 4.120 -13.671 -0.586 343 HH21 ARG 65 HH21 ARG 65 3.023 -15.307 -3.358 344 HH22 ARG 65 HH22 ARG 65 4.359 -14.883 -2.317 345 H MET 66 H MET 66 -0.235 -9.301 1.750 346 HA MET 66 HA MET 66 1.515 -7.264 2.710 347 HB2 MET 66 HB2 MET 66 -0.770 -8.145 3.638 348 HB3 MET 66 HB3 MET 66 0.208 -9.308 4.536 349 HG2 MET 66 HG2 MET 66 1.507 -7.409 5.503 350 HG3 MET 66 HG3 MET 66 0.505 -6.274 4.595 351 HE1 MET 66 HE1 MET 66 -2.520 -7.475 5.004 352 HE2 MET 66 HE2 MET 66 -2.954 -6.466 6.396 353 HE3 MET 66 HE3 MET 66 -2.010 -5.769 5.061 354 H GLY 67 H GLY 67 1.844 -10.787 2.732 355 HA2 GLY 67 HA2 GLY 67 4.125 -11.045 4.418 356 HA3 GLY 67 HA3 GLY 67 3.671 -12.161 3.130 357 H GLU 68 H GLU 68 3.934 -10.008 0.993 358 HA GLU 68 HA GLU 68 6.807 -10.299 0.548 359 HB2 GLU 68 HB2 GLU 68 4.763 -8.704 -1.018 360 HB3 GLU 68 HB3 GLU 68 6.412 -9.070 -1.523 361 HG2 GLU 68 HG2 GLU 68 4.128 -11.035 -1.126 362 HG3 GLU 68 HG3 GLU 68 4.861 -10.551 -2.648 363 H CYS 69 H CYS 69 4.731 -7.413 1.292 364 HA CYS 69 HA CYS 69 6.958 -5.595 1.316 365 HB2 CYS 69 HB2 CYS 69 5.531 -4.002 2.366 366 HB3 CYS 69 HB3 CYS 69 4.644 -4.858 1.119 367 H ALA 70 H ALA 70 5.670 -7.723 3.819 368 HA ALA 70 HA ALA 70 7.182 -6.759 6.023 369 HB1 ALA 70 HB1 ALA 70 5.171 -8.182 6.177 370 HB2 ALA 70 HB2 ALA 70 6.073 -9.543 5.469 371 HB3 ALA 70 HB3 ALA 70 6.537 -8.893 7.055 372 H ARG 71 H ARG 71 8.405 -8.425 3.267 373 HA ARG 71 HA ARG 71 10.806 -9.514 4.626 374 HB2 ARG 71 HB2 ARG 71 10.381 -9.048 1.640 375 HB3 ARG 71 HB3 ARG 71 11.624 -10.029 2.423 376 HG2 ARG 71 HG2 ARG 71 9.654 -11.403 3.418 377 HG3 ARG 71 HG3 ARG 71 8.646 -10.558 2.241 378 HD2 ARG 71 HD2 ARG 71 9.217 -12.606 1.198 379 HD3 ARG 71 HD3 ARG 71 10.197 -11.371 0.416 380 HE ARG 71 HE ARG 71 12.136 -12.335 1.293 381 HH11 ARG 71 HH11 ARG 71 9.430 -13.868 2.892 382 HH12 ARG 71 HH12 ARG 71 10.434 -15.081 3.637 383 HH21 ARG 71 HH21 ARG 71 13.366 -13.889 2.279 384 HH22 ARG 71 HH22 ARG 71 12.609 -15.082 3.290 385 H ASN 72 H ASN 72 9.905 -6.623 2.915 386 HA ASN 72 HA ASN 72 12.653 -5.496 2.892 387 HB2 ASN 72 HB2 ASN 72 9.972 -4.611 1.758 388 HB3 ASN 72 HB3 ASN 72 11.319 -3.486 1.902 389 HD21 ASN 72 HD21 ASN 72 10.331 -6.553 0.312 390 HD22 ASN 72 HD22 ASN 72 11.604 -6.434 -0.896 391 H CYS 73 H CYS 73 9.498 -4.621 4.391 392 HA CYS 73 HA CYS 73 10.714 -2.668 6.190 393 HB2 CYS 73 HB2 CYS 73 7.981 -3.874 5.788 394 HB3 CYS 73 HB3 CYS 73 8.345 -3.111 7.334 395 HA PRO 74 HA PRO 74 12.127 -5.246 9.428 396 HB2 PRO 74 HB2 PRO 74 11.498 -3.875 11.755 397 HB3 PRO 74 HB3 PRO 74 12.801 -3.441 10.612 398 HG2 PRO 74 HG2 PRO 74 10.005 -2.308 10.766 399 HG3 PRO 74 HG3 PRO 74 11.549 -1.424 10.585 400 HD2 PRO 74 HD2 PRO 74 9.933 -1.961 8.478 401 HD3 PRO 74 HD3 PRO 74 11.711 -2.026 8.311 402 H GLY 75 H GLY 75 8.705 -4.671 9.419 403 HA2 GLY 75 HA2 GLY 75 7.163 -6.471 9.405 404 HA3 GLY 75 HA3 GLY 75 8.271 -7.455 10.345 Start of MODEL 19 1 H1 GLY 19 H1 GLY 19 3.908 -3.123 28.715 2 H2 GLY 19 H2 GLY 19 3.231 -1.637 28.579 3 H3 GLY 19 H3 GLY 19 2.421 -2.840 29.344 4 HA2 GLY 19 HA2 GLY 19 2.217 -4.097 27.311 5 HA3 GLY 19 HA3 GLY 19 1.484 -2.491 27.164 6 H ASP 20 H ASP 20 1.901 -3.441 24.861 7 HA ASP 20 HA ASP 20 4.521 -3.111 23.673 8 HB2 ASP 20 HB2 ASP 20 1.722 -3.181 22.470 9 HB3 ASP 20 HB3 ASP 20 3.212 -3.182 21.531 10 H LYS 21 H LYS 21 5.124 -1.560 22.142 11 HA LYS 21 HA LYS 21 3.784 1.106 22.120 12 HB2 LYS 21 HB2 LYS 21 5.924 2.255 22.396 13 HB3 LYS 21 HB3 LYS 21 5.430 1.375 23.817 14 HG2 LYS 21 HG2 LYS 21 7.396 0.149 21.843 15 HG3 LYS 21 HG3 LYS 21 7.936 1.353 23.001 16 HD2 LYS 21 HD2 LYS 21 6.638 -1.296 23.780 17 HD3 LYS 21 HD3 LYS 21 8.365 -0.971 23.748 18 HE2 LYS 21 HE2 LYS 21 8.191 0.694 25.480 19 HE3 LYS 21 HE3 LYS 21 6.425 0.665 25.428 20 HZ1 LYS 21 HZ1 LYS 21 8.086 -1.654 26.241 21 HZ2 LYS 21 HZ2 LYS 21 6.443 -1.586 26.264 22 HZ3 LYS 21 HZ3 LYS 21 7.324 -0.651 27.275 23 H GLU 22 H GLU 22 5.018 -1.346 20.263 24 HA GLU 22 HA GLU 22 5.754 0.215 17.899 25 HB2 GLU 22 HB2 GLU 22 6.682 -2.012 18.383 26 HB3 GLU 22 HB3 GLU 22 5.089 -2.744 18.231 27 HG2 GLU 22 HG2 GLU 22 6.382 -1.123 15.994 28 HG3 GLU 22 HG3 GLU 22 6.749 -2.824 16.238 29 H GLU 23 H GLU 23 4.194 1.501 17.137 30 HA GLU 23 HA GLU 23 1.841 0.256 15.941 31 HB2 GLU 23 HB2 GLU 23 0.267 1.949 16.680 32 HB3 GLU 23 HB3 GLU 23 0.916 1.079 18.073 33 HG2 GLU 23 HG2 GLU 23 2.499 3.001 18.467 34 HG3 GLU 23 HG3 GLU 23 1.726 3.870 17.137 35 H CYS 24 H CYS 24 0.799 1.808 14.341 36 HA CYS 24 HA CYS 24 2.566 4.005 13.461 37 HB2 CYS 24 HB2 CYS 24 2.824 3.246 11.302 38 HB3 CYS 24 HB3 CYS 24 3.031 1.795 12.267 39 H THR 25 H THR 25 1.579 5.566 12.186 40 HA THR 25 HA THR 25 -1.403 5.807 12.459 41 HB THR 25 HB THR 25 -0.951 8.183 13.006 42 HG1 THR 25 HG1 THR 25 1.206 8.716 13.553 43 HG21 THR 25 HG21 THR 25 -1.186 6.476 14.836 44 HG22 THR 25 HG22 THR 25 -0.140 7.838 15.286 45 HG23 THR 25 HG23 THR 25 0.579 6.277 14.838 46 H VAL 26 H VAL 26 1.269 6.321 10.476 47 HA VAL 26 HA VAL 26 1.704 7.173 8.384 48 HB VAL 26 HB VAL 26 -1.102 6.346 7.660 49 HG11 VAL 26 HG11 VAL 26 -0.078 5.945 5.448 50 HG12 VAL 26 HG12 VAL 26 0.114 7.637 5.907 51 HG13 VAL 26 HG13 VAL 26 1.492 6.528 6.052 52 HG21 VAL 26 HG21 VAL 26 -0.053 4.437 8.759 53 HG22 VAL 26 HG22 VAL 26 -0.041 4.168 7.017 54 HG23 VAL 26 HG23 VAL 26 1.447 4.685 7.842 55 HA PRO 27 HA PRO 27 -0.343 11.188 9.421 56 HB2 PRO 27 HB2 PRO 27 1.897 12.759 9.566 57 HB3 PRO 27 HB3 PRO 27 1.367 11.688 10.898 58 HG2 PRO 27 HG2 PRO 27 3.438 11.104 8.755 59 HG3 PRO 27 HG3 PRO 27 3.602 10.902 10.529 60 HD2 PRO 27 HD2 PRO 27 2.946 8.824 8.908 61 HD3 PRO 27 HD3 PRO 27 2.202 8.987 10.527 62 H ILE 28 H ILE 28 -0.569 13.160 8.225 63 HA ILE 28 HA ILE 28 -0.497 12.888 5.385 64 HB ILE 28 HB ILE 28 -2.142 14.214 6.645 65 HG12 ILE 28 HG12 ILE 28 -0.710 15.908 4.558 66 HG13 ILE 28 HG13 ILE 28 -1.677 14.477 4.180 67 HG21 ILE 28 HG21 ILE 28 -1.676 16.447 7.471 68 HG22 ILE 28 HG22 ILE 28 -0.557 15.329 8.249 69 HG23 ILE 28 HG23 ILE 28 0.008 16.361 6.920 70 HD11 ILE 28 HD11 ILE 28 -3.669 15.546 5.232 71 HD12 ILE 28 HD12 ILE 28 -2.708 17.025 5.489 72 HD13 ILE 28 HD13 ILE 28 -3.029 16.449 3.846 73 H GLY 29 H GLY 29 0.777 13.802 3.814 74 HA2 GLY 29 HA2 GLY 29 2.598 14.954 2.876 75 HA3 GLY 29 HA3 GLY 29 3.217 15.333 4.476 76 H TRP 30 H TRP 30 2.645 12.027 4.544 77 HA TRP 30 HA TRP 30 5.391 11.194 4.092 78 HB2 TRP 30 HB2 TRP 30 3.773 10.089 5.651 79 HB3 TRP 30 HB3 TRP 30 2.825 9.563 4.264 80 HD1 TRP 30 HD1 TRP 30 3.820 7.624 2.778 81 HE1 TRP 30 HE1 TRP 30 5.695 5.870 3.118 82 HE3 TRP 30 HE3 TRP 30 6.016 9.606 6.935 83 HZ2 TRP 30 HZ2 TRP 30 7.899 5.451 4.925 84 HZ3 TRP 30 HZ3 TRP 30 8.023 8.523 7.949 85 HH2 TRP 30 HH2 TRP 30 8.976 6.462 6.944 86 H SER 31 H SER 31 6.033 9.642 2.421 87 HA SER 31 HA SER 31 5.238 10.381 -0.277 88 HB2 SER 31 HB2 SER 31 7.147 8.236 0.718 89 HB3 SER 31 HB3 SER 31 6.985 8.800 -0.959 90 HG SER 31 HG SER 31 8.707 9.852 0.154 91 H GLU 32 H GLU 32 2.923 9.651 0.283 92 HA GLU 32 HA GLU 32 2.252 6.831 0.104 93 HB2 GLU 32 HB2 GLU 32 -0.077 7.801 -0.515 94 HB3 GLU 32 HB3 GLU 32 0.576 7.987 1.096 95 HG2 GLU 32 HG2 GLU 32 -0.569 9.989 0.396 96 HG3 GLU 32 HG3 GLU 32 1.113 10.309 0.727 97 HA PRO 33 HA PRO 33 2.345 6.188 -4.305 98 HB2 PRO 33 HB2 PRO 33 0.577 4.152 -4.659 99 HB3 PRO 33 HB3 PRO 33 2.116 3.947 -3.768 100 HG2 PRO 33 HG2 PRO 33 -0.642 4.464 -2.600 101 HG3 PRO 33 HG3 PRO 33 0.527 3.191 -2.133 102 HD2 PRO 33 HD2 PRO 33 0.340 5.551 -0.787 103 HD3 PRO 33 HD3 PRO 33 1.912 4.735 -1.024 104 H VAL 34 H VAL 34 1.185 6.618 -6.230 105 HA VAL 34 HA VAL 34 -1.142 8.396 -5.931 106 HB VAL 34 HB VAL 34 0.774 8.967 -7.365 107 HG11 VAL 34 HG11 VAL 34 0.997 8.084 -9.609 108 HG12 VAL 34 HG12 VAL 34 1.144 6.744 -8.458 109 HG13 VAL 34 HG13 VAL 34 -0.368 6.976 -9.365 110 HG21 VAL 34 HG21 VAL 34 -0.536 9.991 -9.126 111 HG22 VAL 34 HG22 VAL 34 -1.889 8.887 -8.823 112 HG23 VAL 34 HG23 VAL 34 -1.411 10.078 -7.590 113 H LYS 35 H LYS 35 -3.163 8.014 -6.489 114 HA LYS 35 HA LYS 35 -4.147 5.308 -6.982 115 HB2 LYS 35 HB2 LYS 35 -5.317 7.225 -5.701 116 HB3 LYS 35 HB3 LYS 35 -5.722 7.901 -7.285 117 HG2 LYS 35 HG2 LYS 35 -6.805 5.654 -7.837 118 HG3 LYS 35 HG3 LYS 35 -6.509 5.169 -6.168 119 HD2 LYS 35 HD2 LYS 35 -8.212 7.543 -7.047 120 HD3 LYS 35 HD3 LYS 35 -8.832 5.938 -6.658 121 HE2 LYS 35 HE2 LYS 35 -7.916 6.128 -4.350 122 HE3 LYS 35 HE3 LYS 35 -7.280 7.734 -4.728 123 HZ1 LYS 35 HZ1 LYS 35 -10.161 7.004 -4.741 124 HZ2 LYS 35 HZ2 LYS 35 -9.570 8.487 -5.092 125 HZ3 LYS 35 HZ3 LYS 35 -9.414 7.880 -3.587 126 H GLY 36 H GLY 36 -4.951 4.419 -8.855 127 HA2 GLY 36 HA2 GLY 36 -3.980 5.451 -11.410 128 HA3 GLY 36 HA3 GLY 36 -4.912 3.987 -11.167 129 H LEU 37 H LEU 37 -6.860 6.080 -9.717 130 HA LEU 37 HA LEU 37 -8.810 7.159 -10.138 131 HB2 LEU 37 HB2 LEU 37 -7.529 8.156 -12.695 132 HB3 LEU 37 HB3 LEU 37 -8.849 8.896 -11.807 133 HG LEU 37 HG LEU 37 -5.966 8.685 -10.838 134 HD11 LEU 37 HD11 LEU 37 -6.299 10.261 -12.698 135 HD12 LEU 37 HD12 LEU 37 -5.940 11.110 -11.184 136 HD13 LEU 37 HD13 LEU 37 -7.609 11.059 -11.798 137 HD21 LEU 37 HD21 LEU 37 -7.518 8.680 -8.926 138 HD22 LEU 37 HD22 LEU 37 -8.378 10.085 -9.594 139 HD23 LEU 37 HD23 LEU 37 -6.693 10.236 -9.044 140 H CYS 38 H CYS 38 -8.376 4.449 -11.475 141 HA CYS 38 HA CYS 38 -9.948 4.455 -13.919 142 HB2 CYS 38 HB2 CYS 38 -9.296 2.042 -12.222 143 HB3 CYS 38 HB3 CYS 38 -9.584 2.077 -13.950 144 H LYS 39 H LYS 39 -11.751 2.903 -14.245 145 HA LYS 39 HA LYS 39 -14.054 3.187 -12.501 146 HB2 LYS 39 HB2 LYS 39 -13.445 1.306 -14.824 147 HB3 LYS 39 HB3 LYS 39 -15.019 1.420 -14.028 148 HG2 LYS 39 HG2 LYS 39 -15.281 3.740 -14.662 149 HG3 LYS 39 HG3 LYS 39 -13.656 3.820 -15.342 150 HD2 LYS 39 HD2 LYS 39 -15.843 1.981 -16.407 151 HD3 LYS 39 HD3 LYS 39 -15.505 3.606 -17.026 152 HE2 LYS 39 HE2 LYS 39 -13.152 2.923 -17.523 153 HE3 LYS 39 HE3 LYS 39 -13.534 1.277 -16.998 154 HZ1 LYS 39 HZ1 LYS 39 -15.193 1.167 -18.783 155 HZ2 LYS 39 HZ2 LYS 39 -13.723 1.504 -19.404 156 HZ3 LYS 39 HZ3 LYS 39 -14.835 2.688 -19.266 157 H ALA 40 H ALA 40 -11.786 0.504 -13.058 158 HA ALA 40 HA ALA 40 -12.978 -1.232 -11.037 159 HB1 ALA 40 HB1 ALA 40 -10.343 -1.429 -12.569 160 HB2 ALA 40 HB2 ALA 40 -11.112 -2.730 -11.638 161 HB3 ALA 40 HB3 ALA 40 -11.907 -2.103 -13.092 162 H ARG 41 H ARG 41 -11.866 -2.073 -9.210 163 HA ARG 41 HA ARG 41 -9.781 -0.371 -7.905 164 HB2 ARG 41 HB2 ARG 41 -12.325 -1.432 -6.629 165 HB3 ARG 41 HB3 ARG 41 -10.960 -0.709 -5.759 166 HG2 ARG 41 HG2 ARG 41 -11.236 1.372 -7.120 167 HG3 ARG 41 HG3 ARG 41 -12.689 0.693 -7.852 168 HD2 ARG 41 HD2 ARG 41 -12.347 1.102 -4.847 169 HD3 ARG 41 HD3 ARG 41 -13.069 2.285 -5.927 170 HE ARG 41 HE ARG 41 -14.916 0.855 -6.373 171 HH11 ARG 41 HH11 ARG 41 -12.934 -0.520 -3.832 172 HH12 ARG 41 HH12 ARG 41 -14.218 -1.560 -3.284 173 HH21 ARG 41 HH21 ARG 41 -16.491 -0.473 -5.627 174 HH22 ARG 41 HH22 ARG 41 -16.181 -1.523 -4.278 175 H PHE 42 H PHE 42 -8.195 -1.782 -8.457 176 HA PHE 42 HA PHE 42 -8.050 -4.567 -7.654 177 HB2 PHE 42 HB2 PHE 42 -5.723 -2.662 -8.043 178 HB3 PHE 42 HB3 PHE 42 -5.721 -4.407 -8.237 179 HD1 PHE 42 HD1 PHE 42 -8.255 -4.669 -10.013 180 HD2 PHE 42 HD2 PHE 42 -4.844 -2.022 -10.119 181 HE1 PHE 42 HE1 PHE 42 -8.583 -4.341 -12.443 182 HE2 PHE 42 HE2 PHE 42 -5.173 -1.709 -12.561 183 HZ PHE 42 HZ PHE 42 -7.050 -2.859 -13.721 184 H THR 43 H THR 43 -6.193 -5.246 -6.130 185 HA THR 43 HA THR 43 -6.135 -3.607 -3.617 186 HB THR 43 HB THR 43 -6.164 -6.642 -3.717 187 HG1 THR 43 HG1 THR 43 -8.319 -6.455 -3.059 188 HG21 THR 43 HG21 THR 43 -6.703 -4.649 -1.473 189 HG22 THR 43 HG22 THR 43 -5.214 -5.607 -1.662 190 HG23 THR 43 HG23 THR 43 -6.749 -6.419 -1.333 191 H ARG 44 H ARG 44 -4.128 -2.892 -3.324 192 HA ARG 44 HA ARG 44 -1.741 -4.692 -3.764 193 HB2 ARG 44 HB2 ARG 44 -1.917 -1.672 -4.054 194 HB3 ARG 44 HB3 ARG 44 -0.419 -2.596 -4.097 195 HG2 ARG 44 HG2 ARG 44 -2.663 -2.761 -6.140 196 HG3 ARG 44 HG3 ARG 44 -1.138 -1.899 -6.298 197 HD2 ARG 44 HD2 ARG 44 -0.843 -3.843 -7.544 198 HD3 ARG 44 HD3 ARG 44 0.092 -4.080 -6.061 199 HE ARG 44 HE ARG 44 -2.539 -5.194 -5.748 200 HH11 ARG 44 HH11 ARG 44 0.396 -6.019 -7.498 201 HH12 ARG 44 HH12 ARG 44 0.143 -7.725 -7.156 202 HH21 ARG 44 HH21 ARG 44 -2.724 -7.273 -5.374 203 HH22 ARG 44 HH22 ARG 44 -1.494 -8.395 -5.949 204 H TYR 45 H TYR 45 0.093 -4.079 -2.323 205 HA TYR 45 HA TYR 45 -0.769 -2.950 0.305 206 HB2 TYR 45 HB2 TYR 45 0.820 -5.501 -0.148 207 HB3 TYR 45 HB3 TYR 45 0.501 -4.755 1.411 208 HD1 TYR 45 HD1 TYR 45 -1.009 -6.659 -1.416 209 HD2 TYR 45 HD2 TYR 45 -1.718 -4.897 2.465 210 HE1 TYR 45 HE1 TYR 45 -3.136 -7.914 -1.233 211 HE2 TYR 45 HE2 TYR 45 -3.833 -6.205 2.653 212 HH TYR 45 HH TYR 45 -5.240 -7.701 1.655 213 H TYR 46 H TYR 46 0.685 -1.594 1.239 214 HA TYR 46 HA TYR 46 3.381 -1.276 -0.039 215 HB2 TYR 46 HB2 TYR 46 1.283 0.853 0.539 216 HB3 TYR 46 HB3 TYR 46 2.968 1.223 0.258 217 HD1 TYR 46 HD2 TYR 46 -0.092 -0.175 -1.377 218 HD2 TYR 46 HD1 TYR 46 3.899 1.363 -1.926 219 HE1 TYR 46 HE2 TYR 46 -0.538 0.136 -3.825 220 HE2 TYR 46 HE1 TYR 46 3.452 1.654 -4.352 221 HH TYR 46 HH TYR 46 1.849 1.665 -5.985 222 H CYS 47 H CYS 47 5.015 -0.492 1.272 223 HA CYS 47 HA CYS 47 4.569 -0.646 4.187 224 HB2 CYS 47 HB2 CYS 47 6.515 -1.800 3.183 225 HB3 CYS 47 HB3 CYS 47 7.159 -0.238 2.668 226 H MET 48 H MET 48 4.341 1.059 5.411 227 HA MET 48 HA MET 48 4.488 3.817 4.248 228 HB2 MET 48 HB2 MET 48 2.539 2.646 6.267 229 HB3 MET 48 HB3 MET 48 2.531 4.301 5.662 230 HG2 MET 48 HG2 MET 48 1.979 1.773 4.088 231 HG3 MET 48 HG3 MET 48 0.848 3.053 4.495 232 HE1 MET 48 HE1 MET 48 2.104 6.015 2.189 233 HE2 MET 48 HE2 MET 48 0.942 5.523 3.435 234 HE3 MET 48 HE3 MET 48 2.661 5.694 3.843 235 H GLY 49 H GLY 49 6.615 2.443 5.773 236 HA2 GLY 49 HA2 GLY 49 8.328 3.487 7.089 237 HA3 GLY 49 HA3 GLY 49 7.129 4.542 7.833 238 H ASN 50 H ASN 50 8.688 1.464 7.937 239 HA ASN 50 HA ASN 50 8.539 -0.415 9.167 240 HB2 ASN 50 HB2 ASN 50 8.890 -0.134 11.545 241 HB3 ASN 50 HB3 ASN 50 9.843 0.996 10.604 242 HD21 ASN 50 HD21 ASN 50 9.623 3.218 11.032 243 HD22 ASN 50 HD22 ASN 50 8.476 3.809 12.231 244 H CYS 51 H CYS 51 6.005 0.313 8.074 245 HA CYS 51 HA CYS 51 4.261 -1.509 9.586 246 HB2 CYS 51 HB2 CYS 51 4.026 1.079 10.217 247 HB3 CYS 51 HB3 CYS 51 3.138 1.163 8.704 248 H CYS 52 H CYS 52 2.536 -2.331 8.180 249 HA CYS 52 HA CYS 52 2.786 -1.670 5.267 250 HB2 CYS 52 HB2 CYS 52 2.522 -4.362 6.625 251 HB3 CYS 52 HB3 CYS 52 2.123 -4.111 4.930 252 H LYS 53 H LYS 53 0.938 -1.324 4.171 253 HA LYS 53 HA LYS 53 -1.701 -1.879 5.444 254 HB2 LYS 53 HB2 LYS 53 -0.795 0.435 6.065 255 HB3 LYS 53 HB3 LYS 53 -0.967 0.876 4.362 256 HG2 LYS 53 HG2 LYS 53 -3.401 0.443 4.494 257 HG3 LYS 53 HG3 LYS 53 -3.218 -0.149 6.156 258 HD2 LYS 53 HD2 LYS 53 -2.436 2.120 6.859 259 HD3 LYS 53 HD3 LYS 53 -2.600 2.676 5.189 260 HE2 LYS 53 HE2 LYS 53 -4.537 3.430 6.350 261 HE3 LYS 53 HE3 LYS 53 -5.046 2.134 5.267 262 HZ1 LYS 53 HZ1 LYS 53 -6.024 1.916 7.490 263 HZ2 LYS 53 HZ2 LYS 53 -4.556 1.827 8.189 264 HZ3 LYS 53 HZ3 LYS 53 -5.068 0.631 7.196 265 H VAL 54 H VAL 54 -3.434 -1.991 4.051 266 HA VAL 54 HA VAL 54 -2.883 -2.703 1.268 267 HB VAL 54 HB VAL 54 -4.508 -3.885 2.760 268 HG11 VAL 54 HG11 VAL 54 -6.752 -3.067 3.061 269 HG12 VAL 54 HG12 VAL 54 -5.625 -1.897 3.768 270 HG13 VAL 54 HG13 VAL 54 -6.387 -1.567 2.191 271 HG21 VAL 54 HG21 VAL 54 -5.734 -2.870 0.172 272 HG22 VAL 54 HG22 VAL 54 -4.534 -4.176 0.309 273 HG23 VAL 54 HG23 VAL 54 -6.131 -4.361 1.044 274 H TYR 55 H TYR 55 -3.692 -1.712 -0.563 275 HA TYR 55 HA TYR 55 -4.931 0.989 -0.405 276 HB2 TYR 55 HB2 TYR 55 -2.370 0.219 -1.815 277 HB3 TYR 55 HB3 TYR 55 -3.413 1.448 -2.498 278 HD1 TYR 55 HD1 TYR 55 -1.344 0.641 0.514 279 HD2 TYR 55 HD2 TYR 55 -3.658 3.628 -1.571 280 HE1 TYR 55 HE1 TYR 55 -0.494 2.400 2.067 281 HE2 TYR 55 HE2 TYR 55 -2.809 5.373 -0.024 282 HH TYR 55 HH TYR 55 -1.590 5.805 1.841 283 H GLU 56 H GLU 56 -6.558 1.271 -1.754 284 HA GLU 56 HA GLU 56 -7.161 -0.748 -3.858 285 HB2 GLU 56 HB2 GLU 56 -9.064 0.289 -1.727 286 HB3 GLU 56 HB3 GLU 56 -9.518 -0.705 -3.115 287 HG2 GLU 56 HG2 GLU 56 -8.055 -2.539 -2.275 288 HG3 GLU 56 HG3 GLU 56 -7.625 -1.549 -0.879 289 H GLY 57 H GLY 57 -7.400 0.220 -5.758 290 HA2 GLY 57 HA2 GLY 57 -8.940 2.272 -6.708 291 HA3 GLY 57 HA3 GLY 57 -7.690 3.176 -5.862 292 H CYS 58 H CYS 58 -7.750 0.364 -8.047 293 HA CYS 58 HA CYS 58 -6.536 -0.222 -9.880 294 HB2 CYS 58 HB2 CYS 58 -8.017 1.731 -10.518 295 HB3 CYS 58 HB3 CYS 58 -6.558 2.709 -10.543 296 H TYR 59 H TYR 59 -4.886 0.318 -7.554 297 HA TYR 59 HA TYR 59 -2.381 1.590 -8.350 298 HB2 TYR 59 HB2 TYR 59 -3.105 -0.265 -6.045 299 HB3 TYR 59 HB3 TYR 59 -1.532 0.490 -6.260 300 HD1 TYR 59 HD2 TYR 59 -1.206 2.914 -5.943 301 HD2 TYR 59 HD1 TYR 59 -5.020 1.032 -5.256 302 HE1 TYR 59 HE2 TYR 59 -2.004 4.946 -4.730 303 HE2 TYR 59 HE1 TYR 59 -5.822 3.094 -4.086 304 HH TYR 59 HH TYR 59 -5.283 5.180 -3.336 305 H THR 60 H THR 60 -0.619 0.659 -9.261 306 HA THR 60 HA THR 60 -0.618 -2.284 -9.861 307 HB THR 60 HB THR 60 0.537 -1.693 -11.981 308 HG1 THR 60 HG1 THR 60 1.333 0.316 -11.647 309 HG21 THR 60 HG21 THR 60 -1.919 -2.073 -11.932 310 HG22 THR 60 HG22 THR 60 -1.421 -0.916 -13.180 311 HG23 THR 60 HG23 THR 60 -2.170 -0.330 -11.683 312 H GLY 61 H GLY 61 1.039 0.002 -8.118 313 HA2 GLY 61 HA2 GLY 61 3.712 -1.310 -8.345 314 HA3 GLY 61 HA3 GLY 61 3.361 0.229 -7.556 315 H GLY 62 H GLY 62 4.689 -0.906 -5.880 316 HA2 GLY 62 HA2 GLY 62 4.757 -1.635 -3.682 317 HA3 GLY 62 HA3 GLY 62 2.997 -1.746 -3.693 318 H TYR 63 H TYR 63 3.509 -3.570 -2.312 319 HA TYR 63 HA TYR 63 4.520 -6.083 -3.475 320 HB2 TYR 63 HB2 TYR 63 3.313 -5.407 -0.759 321 HB3 TYR 63 HB3 TYR 63 4.032 -6.951 -1.204 322 HD1 TYR 63 HD2 TYR 63 6.512 -7.071 -1.748 323 HD2 TYR 63 HD1 TYR 63 4.670 -3.543 -0.080 324 HE1 TYR 63 HE2 TYR 63 8.751 -6.213 -1.096 325 HE2 TYR 63 HE1 TYR 63 6.925 -2.693 0.590 326 HH TYR 63 HH TYR 63 9.927 -4.426 -0.248 327 H SER 64 H SER 64 3.220 -7.914 -3.828 328 HA SER 64 HA SER 64 0.486 -7.346 -4.623 329 HB2 SER 64 HB2 SER 64 2.210 -8.932 -5.740 330 HB3 SER 64 HB3 SER 64 1.680 -10.119 -4.533 331 HG SER 64 HG SER 64 0.409 -10.322 -6.379 332 H ARG 65 H ARG 65 1.860 -8.531 -1.721 333 HA ARG 65 HA ARG 65 -0.796 -9.105 -0.505 334 HB2 ARG 65 HB2 ARG 65 1.614 -10.958 -0.554 335 HB3 ARG 65 HB3 ARG 65 0.316 -11.141 0.618 336 HG2 ARG 65 HG2 ARG 65 -0.141 -11.216 -2.392 337 HG3 ARG 65 HG3 ARG 65 0.204 -12.643 -1.407 338 HD2 ARG 65 HD2 ARG 65 -1.786 -12.127 -0.002 339 HD3 ARG 65 HD3 ARG 65 -2.185 -10.784 -1.098 340 HE ARG 65 HE ARG 65 -1.974 -12.899 -2.822 341 HH11 ARG 65 HH11 ARG 65 -3.907 -12.515 0.064 342 HH12 ARG 65 HH12 ARG 65 -5.107 -13.656 -0.474 343 HH21 ARG 65 HH21 ARG 65 -3.525 -14.338 -3.457 344 HH22 ARG 65 HH22 ARG 65 -4.892 -14.650 -2.430 345 H MET 66 H MET 66 -0.817 -9.040 1.778 346 HA MET 66 HA MET 66 0.755 -7.011 3.011 347 HB2 MET 66 HB2 MET 66 -1.558 -7.788 3.695 348 HB3 MET 66 HB3 MET 66 -0.812 -9.224 4.400 349 HG2 MET 66 HG2 MET 66 -1.151 -7.654 6.173 350 HG3 MET 66 HG3 MET 66 0.576 -7.708 5.862 351 HE1 MET 66 HE1 MET 66 -2.480 -5.525 6.401 352 HE2 MET 66 HE2 MET 66 -2.313 -4.174 5.263 353 HE3 MET 66 HE3 MET 66 -2.688 -5.804 4.660 354 H GLY 67 H GLY 67 1.113 -10.578 3.110 355 HA2 GLY 67 HA2 GLY 67 3.228 -10.669 5.057 356 HA3 GLY 67 HA3 GLY 67 2.829 -11.935 3.893 357 H GLU 68 H GLU 68 3.259 -10.500 1.515 358 HA GLU 68 HA GLU 68 6.095 -10.608 1.074 359 HB2 GLU 68 HB2 GLU 68 3.707 -9.567 -0.463 360 HB3 GLU 68 HB3 GLU 68 5.325 -9.236 -1.046 361 HG2 GLU 68 HG2 GLU 68 4.040 -11.292 -1.955 362 HG3 GLU 68 HG3 GLU 68 5.765 -11.396 -1.624 363 H CYS 69 H CYS 69 3.943 -7.823 1.744 364 HA CYS 69 HA CYS 69 6.050 -5.841 1.779 365 HB2 CYS 69 HB2 CYS 69 3.656 -5.311 1.611 366 HB3 CYS 69 HB3 CYS 69 3.372 -5.914 3.237 367 H ALA 70 H ALA 70 4.474 -7.610 4.472 368 HA ALA 70 HA ALA 70 5.993 -6.506 6.535 369 HB1 ALA 70 HB1 ALA 70 3.825 -7.648 6.786 370 HB2 ALA 70 HB2 ALA 70 4.594 -9.211 6.422 371 HB3 ALA 70 HB3 ALA 70 5.036 -8.320 7.894 372 H ARG 71 H ARG 71 6.830 -9.375 4.600 373 HA ARG 71 HA ARG 71 9.105 -10.071 6.307 374 HB2 ARG 71 HB2 ARG 71 9.481 -11.873 4.936 375 HB3 ARG 71 HB3 ARG 71 7.734 -11.675 4.868 376 HG2 ARG 71 HG2 ARG 71 8.031 -10.500 2.633 377 HG3 ARG 71 HG3 ARG 71 9.766 -10.839 2.748 378 HD2 ARG 71 HD2 ARG 71 8.929 -13.345 3.126 379 HD3 ARG 71 HD3 ARG 71 7.462 -12.748 2.358 380 HE ARG 71 HE ARG 71 8.566 -12.637 0.319 381 HH11 ARG 71 HH11 ARG 71 10.997 -13.205 2.773 382 HH12 ARG 71 HH12 ARG 71 12.243 -13.534 1.601 383 HH21 ARG 71 HH21 ARG 71 10.213 -13.044 -1.131 384 HH22 ARG 71 HH22 ARG 71 11.801 -13.439 -0.539 385 H ASN 72 H ASN 72 8.752 -7.761 3.816 386 HA ASN 72 HA ASN 72 11.691 -7.631 3.273 387 HB2 ASN 72 HB2 ASN 72 9.244 -6.546 1.839 388 HB3 ASN 72 HB3 ASN 72 10.861 -5.913 1.535 389 HD21 ASN 72 HD21 ASN 72 8.698 -8.483 0.766 390 HD22 ASN 72 HD22 ASN 72 9.883 -9.400 -0.175 391 H CYS 73 H CYS 73 9.019 -5.476 4.344 392 HA CYS 73 HA CYS 73 10.889 -3.425 5.295 393 HB2 CYS 73 HB2 CYS 73 8.012 -3.693 4.932 394 HB3 CYS 73 HB3 CYS 73 8.363 -3.110 6.552 395 HA PRO 74 HA PRO 74 12.197 -4.981 8.995 396 HB2 PRO 74 HB2 PRO 74 12.047 -3.075 10.961 397 HB3 PRO 74 HB3 PRO 74 13.064 -2.932 9.497 398 HG2 PRO 74 HG2 PRO 74 10.284 -1.811 9.944 399 HG3 PRO 74 HG3 PRO 74 11.739 -0.943 9.350 400 HD2 PRO 74 HD2 PRO 74 9.892 -1.907 7.639 401 HD3 PRO 74 HD3 PRO 74 11.632 -2.031 7.240 402 H GLY 75 H GLY 75 8.845 -4.375 9.187 403 HA2 GLY 75 HA2 GLY 75 7.479 -6.234 10.058 404 HA3 GLY 75 HA3 GLY 75 8.519 -6.304 11.475 Start of MODEL 20 1 H1 GLY 19 H1 GLY 19 -9.882 6.611 21.547 2 H2 GLY 19 H2 GLY 19 -11.237 7.185 22.270 3 H3 GLY 19 H3 GLY 19 -10.147 8.225 21.626 4 HA2 GLY 19 HA2 GLY 19 -9.946 8.217 24.019 5 HA3 GLY 19 HA3 GLY 19 -9.682 6.465 23.949 6 H ASP 20 H ASP 20 -7.893 8.391 25.091 7 HA ASP 20 HA ASP 20 -5.655 8.837 23.261 8 HB2 ASP 20 HB2 ASP 20 -6.236 10.474 24.965 9 HB3 ASP 20 HB3 ASP 20 -5.995 9.286 26.246 10 H LYS 21 H LYS 21 -4.833 6.911 22.565 11 HA LYS 21 HA LYS 21 -2.972 5.622 24.440 12 HB2 LYS 21 HB2 LYS 21 -3.429 3.353 23.762 13 HB3 LYS 21 HB3 LYS 21 -4.854 4.042 24.499 14 HG2 LYS 21 HG2 LYS 21 -4.652 4.179 21.486 15 HG3 LYS 21 HG3 LYS 21 -4.862 2.594 22.194 16 HD2 LYS 21 HD2 LYS 21 -6.692 4.927 22.853 17 HD3 LYS 21 HD3 LYS 21 -6.986 3.857 21.489 18 HE2 LYS 21 HE2 LYS 21 -6.738 2.906 24.381 19 HE3 LYS 21 HE3 LYS 21 -8.269 3.330 23.611 20 HZ1 LYS 21 HZ1 LYS 21 -7.876 0.954 23.467 21 HZ2 LYS 21 HZ2 LYS 21 -6.463 1.161 22.683 22 HZ3 LYS 21 HZ3 LYS 21 -7.870 1.583 21.964 23 H GLU 22 H GLU 22 -1.372 4.247 23.280 24 HA GLU 22 HA GLU 22 -0.289 5.569 20.886 25 HB2 GLU 22 HB2 GLU 22 0.544 3.062 22.409 26 HB3 GLU 22 HB3 GLU 22 1.427 3.735 21.042 27 HG2 GLU 22 HG2 GLU 22 0.933 5.187 23.682 28 HG3 GLU 22 HG3 GLU 22 2.400 4.321 23.256 29 H GLU 23 H GLU 23 -0.340 4.851 18.802 30 HA GLU 23 HA GLU 23 -1.121 2.147 18.072 31 HB2 GLU 23 HB2 GLU 23 -2.950 2.747 16.602 32 HB3 GLU 23 HB3 GLU 23 -3.335 3.223 18.250 33 HG2 GLU 23 HG2 GLU 23 -2.683 5.590 17.682 34 HG3 GLU 23 HG3 GLU 23 -2.410 5.081 16.015 35 H CYS 24 H CYS 24 -0.922 1.862 15.606 36 HA CYS 24 HA CYS 24 1.548 3.131 14.716 37 HB2 CYS 24 HB2 CYS 24 0.888 0.730 14.291 38 HB3 CYS 24 HB3 CYS 24 -0.253 1.321 13.075 39 H THR 25 H THR 25 1.709 5.004 13.682 40 HA THR 25 HA THR 25 -0.530 6.056 11.995 41 HB THR 25 HB THR 25 0.146 8.337 12.716 42 HG1 THR 25 HG1 THR 25 2.211 7.977 13.495 43 HG21 THR 25 HG21 THR 25 -0.923 8.310 14.891 44 HG22 THR 25 HG22 THR 25 -0.651 6.566 15.059 45 HG23 THR 25 HG23 THR 25 -1.761 7.180 13.812 46 H VAL 26 H VAL 26 0.184 7.767 10.467 47 HA VAL 26 HA VAL 26 2.871 7.240 9.274 48 HB VAL 26 HB VAL 26 0.258 7.411 7.725 49 HG11 VAL 26 HG11 VAL 26 2.227 8.251 6.462 50 HG12 VAL 26 HG12 VAL 26 3.093 6.739 6.810 51 HG13 VAL 26 HG13 VAL 26 1.628 6.734 5.804 52 HG21 VAL 26 HG21 VAL 26 0.338 5.251 8.885 53 HG22 VAL 26 HG22 VAL 26 0.641 5.028 7.166 54 HG23 VAL 26 HG23 VAL 26 2.001 4.983 8.317 55 HA PRO 27 HA PRO 27 2.615 11.752 9.399 56 HB2 PRO 27 HB2 PRO 27 5.012 12.417 8.261 57 HB3 PRO 27 HB3 PRO 27 4.870 11.740 9.911 58 HG2 PRO 27 HG2 PRO 27 5.531 10.270 7.346 59 HG3 PRO 27 HG3 PRO 27 6.365 10.167 8.926 60 HD2 PRO 27 HD2 PRO 27 4.485 8.344 8.136 61 HD3 PRO 27 HD3 PRO 27 4.661 8.833 9.849 62 H ILE 28 H ILE 28 1.978 13.364 8.010 63 HA ILE 28 HA ILE 28 0.789 12.691 5.561 64 HB ILE 28 HB ILE 28 0.081 14.537 6.997 65 HG12 ILE 28 HG12 ILE 28 -0.419 16.261 5.315 66 HG13 ILE 28 HG13 ILE 28 0.735 15.545 4.194 67 HG21 ILE 28 HG21 ILE 28 1.208 16.701 7.023 68 HG22 ILE 28 HG22 ILE 28 2.306 15.458 7.623 69 HG23 ILE 28 HG23 ILE 28 2.497 16.091 5.972 70 HD11 ILE 28 HD11 ILE 28 -1.635 14.937 3.708 71 HD12 ILE 28 HD12 ILE 28 -0.660 13.501 4.051 72 HD13 ILE 28 HD13 ILE 28 -1.757 14.151 5.295 73 H GLY 29 H GLY 29 4.047 13.782 6.095 74 HA2 GLY 29 HA2 GLY 29 4.615 14.456 3.310 75 HA3 GLY 29 HA3 GLY 29 5.759 14.420 4.645 76 H TRP 30 H TRP 30 4.216 11.378 4.614 77 HA TRP 30 HA TRP 30 6.542 9.997 3.627 78 HB2 TRP 30 HB2 TRP 30 4.915 9.189 5.368 79 HB3 TRP 30 HB3 TRP 30 3.716 8.971 4.100 80 HD1 TRP 30 HD1 TRP 30 4.052 6.954 2.464 81 HE1 TRP 30 HE1 TRP 30 5.486 4.789 2.538 82 HE3 TRP 30 HE3 TRP 30 7.228 8.230 6.257 83 HZ2 TRP 30 HZ2 TRP 30 7.747 3.804 4.018 84 HZ3 TRP 30 HZ3 TRP 30 9.039 6.677 6.966 85 HH2 TRP 30 HH2 TRP 30 9.319 4.479 5.847 86 H SER 31 H SER 31 6.617 8.545 1.801 87 HA SER 31 HA SER 31 5.500 9.689 -0.662 88 HB2 SER 31 HB2 SER 31 7.861 8.909 -0.425 89 HB3 SER 31 HB3 SER 31 7.270 7.243 -0.347 90 HG SER 31 HG SER 31 7.028 9.128 -2.489 91 H GLU 32 H GLU 32 3.306 9.313 -0.211 92 HA GLU 32 HA GLU 32 2.165 6.611 -0.248 93 HB2 GLU 32 HB2 GLU 32 -0.014 7.992 -0.704 94 HB3 GLU 32 HB3 GLU 32 0.741 7.944 0.873 95 HG2 GLU 32 HG2 GLU 32 -0.055 10.159 0.396 96 HG3 GLU 32 HG3 GLU 32 1.678 10.161 0.605 97 HA PRO 33 HA PRO 33 1.880 6.114 -4.675 98 HB2 PRO 33 HB2 PRO 33 -0.115 4.297 -4.949 99 HB3 PRO 33 HB3 PRO 33 1.424 3.909 -4.122 100 HG2 PRO 33 HG2 PRO 33 -1.198 4.763 -2.845 101 HG3 PRO 33 HG3 PRO 33 -0.199 3.331 -2.437 102 HD2 PRO 33 HD2 PRO 33 0.006 5.676 -1.062 103 HD3 PRO 33 HD3 PRO 33 1.437 4.652 -1.381 104 H VAL 34 H VAL 34 0.348 6.276 -6.534 105 HA VAL 34 HA VAL 34 -1.767 8.338 -6.086 106 HB VAL 34 HB VAL 34 0.211 9.153 -7.265 107 HG11 VAL 34 HG11 VAL 34 0.817 7.111 -8.557 108 HG12 VAL 34 HG12 VAL 34 -0.626 7.345 -9.568 109 HG13 VAL 34 HG13 VAL 34 0.672 8.554 -9.573 110 HG21 VAL 34 HG21 VAL 34 -0.976 10.331 -9.018 111 HG22 VAL 34 HG22 VAL 34 -2.288 9.141 -8.998 112 HG23 VAL 34 HG23 VAL 34 -2.008 10.190 -7.587 113 H LYS 35 H LYS 35 -3.730 8.068 -6.823 114 HA LYS 35 HA LYS 35 -4.638 5.428 -7.746 115 HB2 LYS 35 HB2 LYS 35 -5.782 7.052 -6.056 116 HB3 LYS 35 HB3 LYS 35 -6.290 7.970 -7.468 117 HG2 LYS 35 HG2 LYS 35 -7.268 5.661 -8.299 118 HG3 LYS 35 HG3 LYS 35 -7.052 5.143 -6.633 119 HD2 LYS 35 HD2 LYS 35 -8.712 7.523 -7.592 120 HD3 LYS 35 HD3 LYS 35 -9.347 5.952 -7.090 121 HE2 LYS 35 HE2 LYS 35 -8.448 6.298 -4.801 122 HE3 LYS 35 HE3 LYS 35 -7.774 7.857 -5.290 123 HZ1 LYS 35 HZ1 LYS 35 -10.040 8.636 -5.734 124 HZ2 LYS 35 HZ2 LYS 35 -9.911 8.141 -4.187 125 HZ3 LYS 35 HZ3 LYS 35 -10.673 7.198 -5.279 126 H GLY 36 H GLY 36 -5.261 4.894 -9.774 127 HA2 GLY 36 HA2 GLY 36 -4.843 6.673 -12.054 128 HA3 GLY 36 HA3 GLY 36 -5.394 5.007 -12.101 129 H LEU 37 H LEU 37 -7.567 6.352 -10.079 130 HA LEU 37 HA LEU 37 -9.796 6.816 -10.189 131 HB2 LEU 37 HB2 LEU 37 -8.765 8.718 -12.320 132 HB3 LEU 37 HB3 LEU 37 -10.447 8.650 -11.843 133 HG LEU 37 HG LEU 37 -9.766 9.094 -9.453 134 HD11 LEU 37 HD11 LEU 37 -7.624 10.346 -9.154 135 HD12 LEU 37 HD12 LEU 37 -7.126 9.855 -10.789 136 HD13 LEU 37 HD13 LEU 37 -7.355 8.644 -9.512 137 HD21 LEU 37 HD21 LEU 37 -9.157 11.165 -11.597 138 HD22 LEU 37 HD22 LEU 37 -9.559 11.514 -9.895 139 HD23 LEU 37 HD23 LEU 37 -10.763 10.759 -10.952 140 H CYS 38 H CYS 38 -8.753 4.667 -11.984 141 HA CYS 38 HA CYS 38 -10.322 4.404 -14.329 142 HB2 CYS 38 HB2 CYS 38 -9.330 2.026 -12.758 143 HB3 CYS 38 HB3 CYS 38 -9.412 2.224 -14.500 144 H LYS 39 H LYS 39 -11.852 2.622 -14.812 145 HA LYS 39 HA LYS 39 -14.213 2.617 -13.173 146 HB2 LYS 39 HB2 LYS 39 -15.139 1.113 -14.833 147 HB3 LYS 39 HB3 LYS 39 -14.266 2.433 -15.605 148 HG2 LYS 39 HG2 LYS 39 -12.307 0.881 -15.960 149 HG3 LYS 39 HG3 LYS 39 -13.271 -0.436 -15.265 150 HD2 LYS 39 HD2 LYS 39 -14.954 -0.162 -17.072 151 HD3 LYS 39 HD3 LYS 39 -14.049 1.214 -17.710 152 HE2 LYS 39 HE2 LYS 39 -13.509 -0.632 -19.096 153 HE3 LYS 39 HE3 LYS 39 -12.082 -0.285 -18.117 154 HZ1 LYS 39 HZ1 LYS 39 -12.708 -2.163 -16.679 155 HZ2 LYS 39 HZ2 LYS 39 -12.568 -2.670 -18.221 156 HZ3 LYS 39 HZ3 LYS 39 -14.048 -2.455 -17.572 157 H ALA 40 H ALA 40 -11.478 0.514 -13.064 158 HA ALA 40 HA ALA 40 -12.912 -1.548 -11.459 159 HB1 ALA 40 HB1 ALA 40 -11.578 -2.296 -13.400 160 HB2 ALA 40 HB2 ALA 40 -10.124 -1.546 -12.697 161 HB3 ALA 40 HB3 ALA 40 -10.908 -2.915 -11.880 162 H ARG 41 H ARG 41 -11.841 -2.424 -9.577 163 HA ARG 41 HA ARG 41 -10.117 -0.557 -7.999 164 HB2 ARG 41 HB2 ARG 41 -12.574 -1.983 -6.916 165 HB3 ARG 41 HB3 ARG 41 -11.426 -1.010 -5.987 166 HG2 ARG 41 HG2 ARG 41 -12.047 0.971 -7.458 167 HG3 ARG 41 HG3 ARG 41 -13.329 -0.028 -8.156 168 HD2 ARG 41 HD2 ARG 41 -13.023 0.815 -5.247 169 HD3 ARG 41 HD3 ARG 41 -14.228 1.410 -6.381 170 HE ARG 41 HE ARG 41 -14.294 -1.064 -4.842 171 HH11 ARG 41 HH11 ARG 41 -15.652 0.365 -7.733 172 HH12 ARG 41 HH12 ARG 41 -16.997 -0.741 -7.750 173 HH21 ARG 41 HH21 ARG 41 -16.012 -2.429 -4.916 174 HH22 ARG 41 HH22 ARG 41 -17.192 -2.278 -6.184 175 H PHE 42 H PHE 42 -8.285 -1.678 -8.153 176 HA PHE 42 HA PHE 42 -8.108 -4.575 -7.647 177 HB2 PHE 42 HB2 PHE 42 -5.868 -2.558 -8.004 178 HB3 PHE 42 HB3 PHE 42 -5.786 -4.299 -8.226 179 HD1 PHE 42 HD2 PHE 42 -7.996 -5.004 -9.984 180 HD2 PHE 42 HD1 PHE 42 -5.485 -1.493 -10.054 181 HE1 PHE 42 HE2 PHE 42 -8.509 -4.680 -12.385 182 HE2 PHE 42 HE1 PHE 42 -6.007 -1.174 -12.457 183 HZ PHE 42 HZ PHE 42 -7.524 -2.762 -13.624 184 H THR 43 H THR 43 -6.190 -5.178 -6.130 185 HA THR 43 HA THR 43 -6.240 -3.590 -3.591 186 HB THR 43 HB THR 43 -6.011 -6.613 -3.621 187 HG1 THR 43 HG1 THR 43 -8.083 -6.013 -4.382 188 HG21 THR 43 HG21 THR 43 -6.656 -6.349 -1.254 189 HG22 THR 43 HG22 THR 43 -6.716 -4.587 -1.459 190 HG23 THR 43 HG23 THR 43 -5.170 -5.459 -1.613 191 H ARG 44 H ARG 44 -4.281 -2.929 -3.043 192 HA ARG 44 HA ARG 44 -1.806 -4.495 -3.758 193 HB2 ARG 44 HB2 ARG 44 -2.251 -1.492 -3.871 194 HB3 ARG 44 HB3 ARG 44 -0.667 -2.258 -3.991 195 HG2 ARG 44 HG2 ARG 44 -2.941 -2.617 -5.992 196 HG3 ARG 44 HG3 ARG 44 -1.570 -1.527 -6.143 197 HD2 ARG 44 HD2 ARG 44 -0.957 -3.330 -7.449 198 HD3 ARG 44 HD3 ARG 44 -0.035 -3.548 -5.954 199 HE ARG 44 HE ARG 44 -2.518 -5.014 -5.865 200 HH11 ARG 44 HH11 ARG 44 0.678 -5.248 -7.242 201 HH12 ARG 44 HH12 ARG 44 0.706 -6.990 -7.129 202 HH21 ARG 44 HH21 ARG 44 -2.511 -7.158 -5.845 203 HH22 ARG 44 HH22 ARG 44 -1.175 -8.063 -6.516 204 H TYR 45 H TYR 45 0.016 -4.049 -2.346 205 HA TYR 45 HA TYR 45 -0.770 -3.236 0.428 206 HB2 TYR 45 HB2 TYR 45 0.937 -5.612 -0.393 207 HB3 TYR 45 HB3 TYR 45 0.517 -5.139 1.246 208 HD1 TYR 45 HD1 TYR 45 -1.993 -5.105 1.903 209 HD2 TYR 45 HD2 TYR 45 -0.528 -7.087 -1.645 210 HE1 TYR 45 HE1 TYR 45 -4.077 -6.467 1.782 211 HE2 TYR 45 HE2 TYR 45 -2.598 -8.431 -1.751 212 HH TYR 45 HH TYR 45 -5.216 -8.112 0.667 213 H TYR 46 H TYR 46 0.480 -1.685 1.271 214 HA TYR 46 HA TYR 46 3.198 -1.169 0.104 215 HB2 TYR 46 HB2 TYR 46 0.930 0.758 0.740 216 HB3 TYR 46 HB3 TYR 46 2.581 1.270 0.480 217 HD1 TYR 46 HD1 TYR 46 -0.415 -0.165 -1.195 218 HD2 TYR 46 HD2 TYR 46 3.554 1.444 -1.708 219 HE1 TYR 46 HE1 TYR 46 -0.888 0.270 -3.618 220 HE2 TYR 46 HE2 TYR 46 3.087 1.825 -4.118 221 HH TYR 46 HH TYR 46 1.471 1.867 -5.746 222 H CYS 47 H CYS 47 4.790 -1.046 1.589 223 HA CYS 47 HA CYS 47 4.275 -0.945 4.463 224 HB2 CYS 47 HB2 CYS 47 6.205 -2.145 3.605 225 HB3 CYS 47 HB3 CYS 47 6.842 -0.655 2.886 226 H MET 48 H MET 48 3.764 0.810 5.586 227 HA MET 48 HA MET 48 4.378 3.525 4.528 228 HB2 MET 48 HB2 MET 48 2.445 2.712 6.715 229 HB3 MET 48 HB3 MET 48 2.607 4.294 5.949 230 HG2 MET 48 HG2 MET 48 1.611 1.735 4.669 231 HG3 MET 48 HG3 MET 48 0.666 3.159 5.070 232 HE1 MET 48 HE1 MET 48 0.781 5.464 3.777 233 HE2 MET 48 HE2 MET 48 2.544 5.575 3.973 234 HE3 MET 48 HE3 MET 48 1.819 5.767 2.364 235 H GLY 49 H GLY 49 6.153 1.607 6.250 236 HA2 GLY 49 HA2 GLY 49 8.099 2.977 7.263 237 HA3 GLY 49 HA3 GLY 49 6.924 3.432 8.497 238 H ASN 50 H ASN 50 5.936 1.698 9.725 239 HA ASN 50 HA ASN 50 7.456 -0.879 9.877 240 HB2 ASN 50 HB2 ASN 50 7.372 -0.792 12.269 241 HB3 ASN 50 HB3 ASN 50 8.045 0.730 11.704 242 HD21 ASN 50 HD21 ASN 50 5.612 -0.691 13.679 243 HD22 ASN 50 HD22 ASN 50 4.721 0.800 13.963 244 H CYS 51 H CYS 51 4.648 0.219 8.859 245 HA CYS 51 HA CYS 51 3.076 -2.185 9.614 246 HB2 CYS 51 HB2 CYS 51 2.092 0.695 9.656 247 HB3 CYS 51 HB3 CYS 51 1.061 -0.726 9.827 248 H CYS 52 H CYS 52 2.653 -3.218 7.757 249 HA CYS 52 HA CYS 52 2.569 -1.836 5.167 250 HB2 CYS 52 HB2 CYS 52 3.587 -4.080 5.498 251 HB3 CYS 52 HB3 CYS 52 1.979 -4.735 5.812 252 H LYS 53 H LYS 53 0.866 -0.944 4.306 253 HA LYS 53 HA LYS 53 -1.864 -1.386 5.452 254 HB2 LYS 53 HB2 LYS 53 -0.769 0.835 5.835 255 HB3 LYS 53 HB3 LYS 53 -0.705 1.079 4.083 256 HG2 LYS 53 HG2 LYS 53 -3.152 1.027 3.951 257 HG3 LYS 53 HG3 LYS 53 -3.268 0.621 5.675 258 HD2 LYS 53 HD2 LYS 53 -2.235 2.807 6.250 259 HD3 LYS 53 HD3 LYS 53 -2.133 3.211 4.520 260 HE2 LYS 53 HE2 LYS 53 -4.593 3.022 4.318 261 HE3 LYS 53 HE3 LYS 53 -4.714 2.561 6.021 262 HZ1 LYS 53 HZ1 LYS 53 -3.835 4.754 6.615 263 HZ2 LYS 53 HZ2 LYS 53 -5.181 4.921 5.712 264 HZ3 LYS 53 HZ3 LYS 53 -3.718 5.186 5.039 265 H VAL 54 H VAL 54 -3.510 -1.880 4.146 266 HA VAL 54 HA VAL 54 -3.013 -2.630 1.354 267 HB VAL 54 HB VAL 54 -4.435 -3.984 2.841 268 HG11 VAL 54 HG11 VAL 54 -5.640 -2.172 4.062 269 HG12 VAL 54 HG12 VAL 54 -6.535 -1.798 2.569 270 HG13 VAL 54 HG13 VAL 54 -6.723 -3.378 3.349 271 HG21 VAL 54 HG21 VAL 54 -4.635 -4.115 0.378 272 HG22 VAL 54 HG22 VAL 54 -6.139 -4.514 1.222 273 HG23 VAL 54 HG23 VAL 54 -5.964 -2.937 0.431 274 H TYR 55 H TYR 55 -3.807 -1.682 -0.454 275 HA TYR 55 HA TYR 55 -5.298 0.906 -0.270 276 HB2 TYR 55 HB2 TYR 55 -2.878 0.202 -1.942 277 HB3 TYR 55 HB3 TYR 55 -4.061 1.361 -2.521 278 HD1 TYR 55 HD2 TYR 55 -1.822 0.688 0.440 279 HD2 TYR 55 HD1 TYR 55 -4.017 3.614 -1.855 280 HE1 TYR 55 HE2 TYR 55 -0.759 2.508 1.748 281 HE2 TYR 55 HE1 TYR 55 -2.958 5.437 -0.522 282 HH TYR 55 HH TYR 55 -0.596 4.753 2.071 283 H GLU 56 H GLU 56 -7.051 1.040 -1.471 284 HA GLU 56 HA GLU 56 -7.866 -1.272 -3.187 285 HB2 GLU 56 HB2 GLU 56 -9.478 0.221 -1.088 286 HB3 GLU 56 HB3 GLU 56 -10.129 -0.966 -2.226 287 HG2 GLU 56 HG2 GLU 56 -8.614 -2.698 -1.280 288 HG3 GLU 56 HG3 GLU 56 -8.003 -1.524 -0.111 289 H GLY 57 H GLY 57 -8.033 -0.572 -5.209 290 HA2 GLY 57 HA2 GLY 57 -9.708 1.196 -6.433 291 HA3 GLY 57 HA3 GLY 57 -8.448 2.277 -5.823 292 H CYS 58 H CYS 58 -8.259 2.650 -8.225 293 HA CYS 58 HA CYS 58 -6.860 0.598 -9.784 294 HB2 CYS 58 HB2 CYS 58 -8.412 2.342 -10.719 295 HB3 CYS 58 HB3 CYS 58 -7.125 3.528 -10.476 296 H TYR 59 H TYR 59 -5.166 0.113 -8.353 297 HA TYR 59 HA TYR 59 -2.797 1.941 -8.494 298 HB2 TYR 59 HB2 TYR 59 -3.617 0.097 -6.214 299 HB3 TYR 59 HB3 TYR 59 -2.103 0.978 -6.312 300 HD1 TYR 59 HD1 TYR 59 -2.046 3.457 -6.087 301 HD2 TYR 59 HD2 TYR 59 -5.671 1.195 -5.526 302 HE1 TYR 59 HE1 TYR 59 -3.054 5.380 -4.862 303 HE2 TYR 59 HE2 TYR 59 -6.694 3.144 -4.331 304 HH TYR 59 HH TYR 59 -4.879 6.155 -3.710 305 H THR 60 H THR 60 -0.957 1.017 -9.231 306 HA THR 60 HA THR 60 -0.890 -1.925 -9.824 307 HB THR 60 HB THR 60 0.358 -1.303 -11.877 308 HG1 THR 60 HG1 THR 60 0.273 0.870 -12.517 309 HG21 THR 60 HG21 THR 60 -1.541 -0.520 -13.177 310 HG22 THR 60 HG22 THR 60 -2.367 0.057 -11.715 311 HG23 THR 60 HG23 THR 60 -2.103 -1.683 -11.964 312 H GLY 61 H GLY 61 0.750 0.485 -8.125 313 HA2 GLY 61 HA2 GLY 61 3.445 -0.752 -8.307 314 HA3 GLY 61 HA3 GLY 61 3.006 0.720 -7.439 315 H GLY 62 H GLY 62 4.433 -0.482 -5.837 316 HA2 GLY 62 HA2 GLY 62 4.512 -1.297 -3.662 317 HA3 GLY 62 HA3 GLY 62 2.761 -1.503 -3.698 318 H TYR 63 H TYR 63 3.412 -3.380 -2.380 319 HA TYR 63 HA TYR 63 4.593 -5.722 -3.730 320 HB2 TYR 63 HB2 TYR 63 3.571 -5.236 -0.899 321 HB3 TYR 63 HB3 TYR 63 4.274 -6.742 -1.467 322 HD1 TYR 63 HD2 TYR 63 6.686 -6.879 -2.085 323 HD2 TYR 63 HD1 TYR 63 4.967 -3.273 -0.461 324 HE1 TYR 63 HE2 TYR 63 8.963 -6.032 -1.571 325 HE2 TYR 63 HE1 TYR 63 7.265 -2.428 0.071 326 HH TYR 63 HH TYR 63 10.200 -4.273 -0.786 327 H SER 64 H SER 64 3.502 -7.659 -4.057 328 HA SER 64 HA SER 64 0.642 -7.392 -4.659 329 HB2 SER 64 HB2 SER 64 2.602 -9.664 -5.135 330 HB3 SER 64 HB3 SER 64 0.895 -9.692 -5.612 331 HG SER 64 HG SER 64 2.973 -8.032 -6.573 332 H ARG 65 H ARG 65 2.336 -8.602 -1.920 333 HA ARG 65 HA ARG 65 -0.218 -9.641 -0.788 334 HB2 ARG 65 HB2 ARG 65 2.458 -11.099 -0.815 335 HB3 ARG 65 HB3 ARG 65 1.133 -11.552 0.243 336 HG2 ARG 65 HG2 ARG 65 0.866 -11.491 -2.785 337 HG3 ARG 65 HG3 ARG 65 1.425 -12.904 -1.886 338 HD2 ARG 65 HD2 ARG 65 -0.688 -12.921 -0.593 339 HD3 ARG 65 HD3 ARG 65 -1.285 -11.554 -1.559 340 HE ARG 65 HE ARG 65 -0.625 -13.354 -3.497 341 HH11 ARG 65 HH11 ARG 65 -2.650 -13.766 -0.676 342 HH12 ARG 65 HH12 ARG 65 -3.588 -15.030 -1.423 343 HH21 ARG 65 HH21 ARG 65 -1.848 -14.959 -4.393 344 HH22 ARG 65 HH22 ARG 65 -3.144 -15.674 -3.480 345 H MET 66 H MET 66 -0.371 -9.540 1.411 346 HA MET 66 HA MET 66 0.934 -7.481 2.862 347 HB2 MET 66 HB2 MET 66 -1.351 -8.600 3.244 348 HB3 MET 66 HB3 MET 66 -0.479 -9.895 4.060 349 HG2 MET 66 HG2 MET 66 -1.271 -8.388 5.738 350 HG3 MET 66 HG3 MET 66 0.468 -8.179 5.643 351 HE1 MET 66 HE1 MET 66 -2.992 -6.527 5.560 352 HE2 MET 66 HE2 MET 66 -2.809 -5.145 4.458 353 HE3 MET 66 HE3 MET 66 -2.784 -6.805 3.819 354 H GLY 67 H GLY 67 1.852 -10.854 2.473 355 HA2 GLY 67 HA2 GLY 67 3.839 -10.872 4.629 356 HA3 GLY 67 HA3 GLY 67 3.602 -12.105 3.397 357 H GLU 68 H GLU 68 3.906 -9.858 1.255 358 HA GLU 68 HA GLU 68 6.778 -10.319 0.893 359 HB2 GLU 68 HB2 GLU 68 4.667 -8.943 -0.789 360 HB3 GLU 68 HB3 GLU 68 6.369 -9.008 -1.249 361 HG2 GLU 68 HG2 GLU 68 4.699 -11.490 -0.694 362 HG3 GLU 68 HG3 GLU 68 4.892 -10.769 -2.288 363 H CYS 69 H CYS 69 4.757 -7.428 1.573 364 HA CYS 69 HA CYS 69 6.916 -5.536 1.612 365 HB2 CYS 69 HB2 CYS 69 5.355 -4.319 3.268 366 HB3 CYS 69 HB3 CYS 69 4.844 -4.544 1.607 367 H ALA 70 H ALA 70 5.714 -7.741 4.130 368 HA ALA 70 HA ALA 70 7.421 -6.817 6.238 369 HB1 ALA 70 HB1 ALA 70 6.647 -8.847 7.381 370 HB2 ALA 70 HB2 ALA 70 5.296 -8.048 6.559 371 HB3 ALA 70 HB3 ALA 70 6.032 -9.506 5.851 372 H ARG 71 H ARG 71 8.330 -8.638 3.461 373 HA ARG 71 HA ARG 71 10.630 -10.067 4.597 374 HB2 ARG 71 HB2 ARG 71 10.224 -8.992 1.767 375 HB3 ARG 71 HB3 ARG 71 11.451 -10.140 2.264 376 HG2 ARG 71 HG2 ARG 71 8.450 -10.644 2.356 377 HG3 ARG 71 HG3 ARG 71 9.519 -11.153 1.063 378 HD2 ARG 71 HD2 ARG 71 9.690 -12.061 3.965 379 HD3 ARG 71 HD3 ARG 71 8.952 -12.971 2.638 380 HE ARG 71 HE ARG 71 11.533 -12.453 1.744 381 HH11 ARG 71 HH11 ARG 71 10.255 -14.187 4.494 382 HH12 ARG 71 HH12 ARG 71 11.645 -15.236 4.596 383 HH21 ARG 71 HH21 ARG 71 13.275 -13.798 1.923 384 HH22 ARG 71 HH22 ARG 71 13.305 -15.016 3.163 385 H ASN 72 H ASN 72 10.091 -6.903 3.250 386 HA ASN 72 HA ASN 72 12.934 -6.075 3.554 387 HB2 ASN 72 HB2 ASN 72 10.520 -4.783 2.196 388 HB3 ASN 72 HB3 ASN 72 12.112 -4.037 2.311 389 HD21 ASN 72 HD21 ASN 72 10.241 -6.548 0.659 390 HD22 ASN 72 HD22 ASN 72 11.562 -6.971 -0.426 391 H CYS 73 H CYS 73 9.702 -4.859 4.575 392 HA CYS 73 HA CYS 73 10.871 -2.893 6.386 393 HB2 CYS 73 HB2 CYS 73 8.097 -3.751 5.560 394 HB3 CYS 73 HB3 CYS 73 8.297 -2.806 7.022 395 HA PRO 74 HA PRO 74 11.142 -5.238 10.081 396 HB2 PRO 74 HB2 PRO 74 10.660 -3.448 12.078 397 HB3 PRO 74 HB3 PRO 74 12.055 -3.307 10.967 398 HG2 PRO 74 HG2 PRO 74 9.368 -1.914 10.745 399 HG3 PRO 74 HG3 PRO 74 10.999 -1.169 10.691 400 HD2 PRO 74 HD2 PRO 74 9.662 -1.799 8.420 401 HD3 PRO 74 HD3 PRO 74 11.428 -2.041 8.537 402 H GLY 75 H GLY 75 8.046 -4.129 9.180 403 HA2 GLY 75 HA2 GLY 75 6.604 -6.249 10.471 404 HA3 GLY 75 HA3 GLY 75 6.256 -4.691 11.230
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